data_Remediated_restraints_file_for_PDB_entry_1aot # This BMRB archive file contains, for PDB entry 1aot: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process, minor modifications could # have occurred to the NMR restraints information, or data could have been lost # because of parsing or conversion errors. The PDB file remains the # authoritative reference for the atomic coordinates and the originally deposited # restraints files remain the primary reference for these data. # # This file is generated as part of the wwPDB at the BioMagResBank (BMRB) in # collaboration with the PDBe (formerly MSD) group at the European # Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud # University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389-396. ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_1aot _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1aot' _Entry.Version_type original _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Contains the remediated restraint lists and coordinates for PDB entry 1aot' _Entry.PDB_coordinate_file_version 3.20 loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1aot 'Master copy' rr_1aot stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1aot _Assembly.ID 1 _Assembly.Name 1aot _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 13753.30796 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'FYN PROTEIN TYROSINE KINASE' 1 $FYN_PROTEIN_TYROSINE_KINASE A . no . . . . . . rr_1aot 1 2 'PHOSPHOTYROSYL PEPTIDE' 2 $PHOSPHOTYROSYL_PEPTIDE B . no . . . . . . rr_1aot 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FYN_PROTEIN_TYROSINE_KINASE _Entity.Sf_category entity _Entity.Sf_framecode FYN_PROTEIN_TYROSINE_KINASE _Entity.Entry_ID rr_1aot _Entity.ID 1 _Entity.Name FYN_PROTEIN_TYROSINE_KINASE _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; SIQAEEWYFGKLGRKDAERQ LLSFGNPRGTFLIRESETTK GAYSLSIRDWDDMKGDHVKH YKIRKLDNGGYYITTRAQFE TLQQLVQHYSERAAGLSSRL VVPSHK ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Number_of_monomers 106 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 12282.7996 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . rr_1aot 1 2 . ILE . rr_1aot 1 3 . GLN . rr_1aot 1 4 . ALA . rr_1aot 1 5 . GLU . rr_1aot 1 6 . GLU . rr_1aot 1 7 . TRP . rr_1aot 1 8 . TYR . rr_1aot 1 9 . PHE . rr_1aot 1 10 . GLY . rr_1aot 1 11 . LYS . rr_1aot 1 12 . LEU . rr_1aot 1 13 . GLY . rr_1aot 1 14 . ARG . rr_1aot 1 15 . LYS . rr_1aot 1 16 . ASP . rr_1aot 1 17 . ALA . rr_1aot 1 18 . GLU . rr_1aot 1 19 . ARG . rr_1aot 1 20 . GLN . rr_1aot 1 21 . LEU . rr_1aot 1 22 . LEU . rr_1aot 1 23 . SER . rr_1aot 1 24 . PHE . rr_1aot 1 25 . GLY . rr_1aot 1 26 . ASN . rr_1aot 1 27 . PRO . rr_1aot 1 28 . ARG . rr_1aot 1 29 . GLY . rr_1aot 1 30 . THR . rr_1aot 1 31 . PHE . rr_1aot 1 32 . LEU . rr_1aot 1 33 . ILE . rr_1aot 1 34 . ARG . rr_1aot 1 35 . GLU . rr_1aot 1 36 . SER . rr_1aot 1 37 . GLU . rr_1aot 1 38 . THR . rr_1aot 1 39 . THR . rr_1aot 1 40 . LYS . rr_1aot 1 41 . GLY . rr_1aot 1 42 . ALA . rr_1aot 1 43 . TYR . rr_1aot 1 44 . SER . rr_1aot 1 45 . LEU . rr_1aot 1 46 . SER . rr_1aot 1 47 . ILE . rr_1aot 1 48 . ARG . rr_1aot 1 49 . ASP . rr_1aot 1 50 . TRP . rr_1aot 1 51 . ASP . rr_1aot 1 52 . ASP . rr_1aot 1 53 . MET . rr_1aot 1 54 . LYS . rr_1aot 1 55 . GLY . rr_1aot 1 56 . ASP . rr_1aot 1 57 . HIS . rr_1aot 1 58 . VAL . rr_1aot 1 59 . LYS . rr_1aot 1 60 . HIS . rr_1aot 1 61 . TYR . rr_1aot 1 62 . LYS . rr_1aot 1 63 . ILE . rr_1aot 1 64 . ARG . rr_1aot 1 65 . LYS . rr_1aot 1 66 . LEU . rr_1aot 1 67 . ASP . rr_1aot 1 68 . ASN . rr_1aot 1 69 . GLY . rr_1aot 1 70 . GLY . rr_1aot 1 71 . TYR . rr_1aot 1 72 . TYR . rr_1aot 1 73 . ILE . rr_1aot 1 74 . THR . rr_1aot 1 75 . THR . rr_1aot 1 76 . ARG . rr_1aot 1 77 . ALA . rr_1aot 1 78 . GLN . rr_1aot 1 79 . PHE . rr_1aot 1 80 . GLU . rr_1aot 1 81 . THR . rr_1aot 1 82 . LEU . rr_1aot 1 83 . GLN . rr_1aot 1 84 . GLN . rr_1aot 1 85 . LEU . rr_1aot 1 86 . VAL . rr_1aot 1 87 . GLN . rr_1aot 1 88 . HIS . rr_1aot 1 89 . TYR . rr_1aot 1 90 . SER . rr_1aot 1 91 . GLU . rr_1aot 1 92 . ARG . rr_1aot 1 93 . ALA . rr_1aot 1 94 . ALA . rr_1aot 1 95 . GLY . rr_1aot 1 96 . LEU . rr_1aot 1 97 . SER . rr_1aot 1 98 . SER . rr_1aot 1 99 . ARG . rr_1aot 1 100 . LEU . rr_1aot 1 101 . VAL . rr_1aot 1 102 . VAL . rr_1aot 1 103 . PRO . rr_1aot 1 104 . SER . rr_1aot 1 105 . HIS . rr_1aot 1 106 . LYS . rr_1aot 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 rr_1aot 1 . ILE 2 2 rr_1aot 1 . GLN 3 3 rr_1aot 1 . ALA 4 4 rr_1aot 1 . GLU 5 5 rr_1aot 1 . GLU 6 6 rr_1aot 1 . TRP 7 7 rr_1aot 1 . TYR 8 8 rr_1aot 1 . PHE 9 9 rr_1aot 1 . GLY 10 10 rr_1aot 1 . LYS 11 11 rr_1aot 1 . LEU 12 12 rr_1aot 1 . GLY 13 13 rr_1aot 1 . ARG 14 14 rr_1aot 1 . LYS 15 15 rr_1aot 1 . ASP 16 16 rr_1aot 1 . ALA 17 17 rr_1aot 1 . GLU 18 18 rr_1aot 1 . ARG 19 19 rr_1aot 1 . GLN 20 20 rr_1aot 1 . LEU 21 21 rr_1aot 1 . LEU 22 22 rr_1aot 1 . SER 23 23 rr_1aot 1 . PHE 24 24 rr_1aot 1 . GLY 25 25 rr_1aot 1 . ASN 26 26 rr_1aot 1 . PRO 27 27 rr_1aot 1 . ARG 28 28 rr_1aot 1 . GLY 29 29 rr_1aot 1 . THR 30 30 rr_1aot 1 . PHE 31 31 rr_1aot 1 . LEU 32 32 rr_1aot 1 . ILE 33 33 rr_1aot 1 . ARG 34 34 rr_1aot 1 . GLU 35 35 rr_1aot 1 . SER 36 36 rr_1aot 1 . GLU 37 37 rr_1aot 1 . THR 38 38 rr_1aot 1 . THR 39 39 rr_1aot 1 . LYS 40 40 rr_1aot 1 . GLY 41 41 rr_1aot 1 . ALA 42 42 rr_1aot 1 . TYR 43 43 rr_1aot 1 . SER 44 44 rr_1aot 1 . LEU 45 45 rr_1aot 1 . SER 46 46 rr_1aot 1 . ILE 47 47 rr_1aot 1 . ARG 48 48 rr_1aot 1 . ASP 49 49 rr_1aot 1 . TRP 50 50 rr_1aot 1 . ASP 51 51 rr_1aot 1 . ASP 52 52 rr_1aot 1 . MET 53 53 rr_1aot 1 . LYS 54 54 rr_1aot 1 . GLY 55 55 rr_1aot 1 . ASP 56 56 rr_1aot 1 . HIS 57 57 rr_1aot 1 . VAL 58 58 rr_1aot 1 . LYS 59 59 rr_1aot 1 . HIS 60 60 rr_1aot 1 . TYR 61 61 rr_1aot 1 . LYS 62 62 rr_1aot 1 . ILE 63 63 rr_1aot 1 . ARG 64 64 rr_1aot 1 . LYS 65 65 rr_1aot 1 . LEU 66 66 rr_1aot 1 . ASP 67 67 rr_1aot 1 . ASN 68 68 rr_1aot 1 . GLY 69 69 rr_1aot 1 . GLY 70 70 rr_1aot 1 . TYR 71 71 rr_1aot 1 . TYR 72 72 rr_1aot 1 . ILE 73 73 rr_1aot 1 . THR 74 74 rr_1aot 1 . THR 75 75 rr_1aot 1 . ARG 76 76 rr_1aot 1 . ALA 77 77 rr_1aot 1 . GLN 78 78 rr_1aot 1 . PHE 79 79 rr_1aot 1 . GLU 80 80 rr_1aot 1 . THR 81 81 rr_1aot 1 . LEU 82 82 rr_1aot 1 . GLN 83 83 rr_1aot 1 . GLN 84 84 rr_1aot 1 . LEU 85 85 rr_1aot 1 . VAL 86 86 rr_1aot 1 . GLN 87 87 rr_1aot 1 . HIS 88 88 rr_1aot 1 . TYR 89 89 rr_1aot 1 . SER 90 90 rr_1aot 1 . GLU 91 91 rr_1aot 1 . ARG 92 92 rr_1aot 1 . ALA 93 93 rr_1aot 1 . ALA 94 94 rr_1aot 1 . GLY 95 95 rr_1aot 1 . LEU 96 96 rr_1aot 1 . SER 97 97 rr_1aot 1 . SER 98 98 rr_1aot 1 . ARG 99 99 rr_1aot 1 . LEU 100 100 rr_1aot 1 . VAL 101 101 rr_1aot 1 . VAL 102 102 rr_1aot 1 . PRO 103 103 rr_1aot 1 . SER 104 104 rr_1aot 1 . HIS 105 105 rr_1aot 1 . LYS 106 106 rr_1aot 1 stop_ save_ save_PHOSPHOTYROSYL_PEPTIDE _Entity.Sf_category entity _Entity.Sf_framecode PHOSPHOTYROSYL_PEPTIDE _Entity.Entry_ID rr_1aot _Entity.ID 2 _Entity.Name PHOSPHOTYROSYL_PEPTIDE _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code EPQXEEIPIYL _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Number_of_monomers 11 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 2 _Entity.Formula_weight 1470.50836 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLU . rr_1aot 2 2 . PRO . rr_1aot 2 3 . GLN . rr_1aot 2 4 . PTR . rr_1aot 2 5 . GLU . rr_1aot 2 6 . GLU . rr_1aot 2 7 . ILE . rr_1aot 2 8 . PRO . rr_1aot 2 9 . ILE . rr_1aot 2 10 . TYR . rr_1aot 2 11 . LEU . rr_1aot 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLU 1 1 rr_1aot 2 . PRO 2 2 rr_1aot 2 . GLN 3 3 rr_1aot 2 . PTR 4 4 rr_1aot 2 . GLU 5 5 rr_1aot 2 . GLU 6 6 rr_1aot 2 . ILE 7 7 rr_1aot 2 . PRO 8 8 rr_1aot 2 . ILE 9 9 rr_1aot 2 . TYR 10 10 rr_1aot 2 . LEU 11 11 rr_1aot 2 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTR _Chem_comp.Entry_ID rr_1aot _Chem_comp.ID PTR _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.PDB_code PTR _Chem_comp.Std_deriv_one_letter_code Y _Chem_comp.Std_deriv_three_letter_code Tyr _Chem_comp.Std_deriv_PDB_code TYR _Chem_comp.Std_deriv_chem_comp_name TYROSINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H10 N O5 P' _Chem_comp.Formula_weight 243.15546 loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID O-phosphono-L-tyrosine name rr_1aot PTR stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1aot _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID rr_1aot _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . rr_1aot 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . rr_1aot 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 SER C C -35.486 20.054 29.718 . . . 1.0 . . . . . . . . . . . . F . 1 SER C . . . . . . . . . rr_1aot 1 . 1 . 2 . 1 1 1 SER CA C -35.151 21.545 29.650 . . . 1.0 . . . . . . . . . . . . F . 1 SER CA . . . . . . . . . rr_1aot 1 . 1 . 3 . 1 1 1 SER CB C -33.864 21.814 30.432 . . . 1.0 . . . . . . . . . . . . F . 1 SER CB . . . . . . . . . rr_1aot 1 . 1 . 4 . 1 1 1 SER H1 H -37.089 21.713 30.393 . . . 1.0 . . . . . . . . . . . . F . 1 SER H1 . . . . . . . . . rr_1aot 1 . 1 . 5 . 1 1 1 SER H2 H -35.963 22.731 31.156 . . . 1.0 . . . . . . . . . . . . F . 1 SER H2 . . . . . . . . . rr_1aot 1 . 1 . 6 . 1 1 1 SER H3 H -36.532 23.103 29.599 . . . 1.0 . . . . . . . . . . . . F . 1 SER H3 . . . . . . . . . rr_1aot 1 . 1 . 7 . 1 1 1 SER HA H -35.014 21.837 28.619 . . . 1.0 . . . . . . . . . . . . F . 1 SER HA . . . . . . . . . rr_1aot 1 . 1 . 8 . 1 1 1 SER HB2 H -33.883 21.258 31.358 . . . 1.0 . . . . . . . . . . . . F . 1 SER HB2 . . . . . . . . . rr_1aot 1 . 1 . 9 . 1 1 1 SER HB3 H -33.013 21.505 29.843 . . . 1.0 . . . . . . . . . . . . F . 1 SER HB3 . . . . . . . . . rr_1aot 1 . 1 . 10 . 1 1 1 SER HG H -33.875 23.321 31.662 . . . 1.0 . . . . . . . . . . . . F . 1 SER HG . . . . . . . . . rr_1aot 1 . 1 . 11 . 1 1 1 SER N N -36.268 22.332 30.244 . . . 1.0 . . . . . . . . . . . . F . 1 SER N . . . . . . . . . rr_1aot 1 . 1 . 12 . 1 1 1 SER O O -34.856 19.298 30.431 . . . 1.0 . . . . . . . . . . . . F . 1 SER O . . . . . . . . . rr_1aot 1 . 1 . 13 . 1 1 1 SER OG O -33.764 23.202 30.715 . . . 1.0 . . . . . . . . . . . . F . 1 SER OG . . . . . . . . . rr_1aot 1 . 1 . 14 . 1 1 2 ILE C C -35.623 17.325 28.686 . . . 1.0 . . . . . . . . . . . . F . 2 ILE C . . . . . . . . . rr_1aot 1 . 1 . 15 . 1 1 2 ILE CA C -36.852 18.182 29.010 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CA . . . . . . . . . rr_1aot 1 . 1 . 16 . 1 1 2 ILE CB C -37.955 17.915 27.980 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CB . . . . . . . . . rr_1aot 1 . 1 . 17 . 1 1 2 ILE CD1 C -38.708 18.318 25.627 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CD1 . . . . . . . . . rr_1aot 1 . 1 . 18 . 1 1 2 ILE CG1 C -37.569 18.530 26.631 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CG1 . . . . . . . . . rr_1aot 1 . 1 . 19 . 1 1 2 ILE CG2 C -39.265 18.539 28.465 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CG2 . . . . . . . . . rr_1aot 1 . 1 . 20 . 1 1 2 ILE H H -36.974 20.251 28.419 . . . 1.0 . . . . . . . . . . . . F . 2 ILE H . . . . . . . . . rr_1aot 1 . 1 . 21 . 1 1 2 ILE HA H -37.214 17.927 29.995 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HA . . . . . . . . . rr_1aot 1 . 1 . 22 . 1 1 2 ILE HB H -38.087 16.850 27.867 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HB . . . . . . . . . rr_1aot 1 . 1 . 23 . 1 1 2 ILE HD11 H -39.658 18.448 26.125 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD11 . . . . . . . . . rr_1aot 1 . 1 . 24 . 1 1 2 ILE HD12 H -38.622 19.037 24.825 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD12 . . . . . . . . . rr_1aot 1 . 1 . 25 . 1 1 2 ILE HD13 H -38.648 17.319 25.222 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD13 . . . . . . . . . rr_1aot 1 . 1 . 26 . 1 1 2 ILE HG12 H -37.392 19.588 26.753 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG12 . . . . . . . . . rr_1aot 1 . 1 . 27 . 1 1 2 ILE HG13 H -36.672 18.056 26.264 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG13 . . . . . . . . . rr_1aot 1 . 1 . 28 . 1 1 2 ILE HG21 H -39.075 19.536 28.834 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG21 . . . . . . . . . rr_1aot 1 . 1 . 29 . 1 1 2 ILE HG22 H -39.967 18.587 27.645 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG22 . . . . . . . . . rr_1aot 1 . 1 . 30 . 1 1 2 ILE HG23 H -39.680 17.935 29.258 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG23 . . . . . . . . . rr_1aot 1 . 1 . 31 . 1 1 2 ILE N N -36.477 19.624 28.984 . . . 1.0 . . . . . . . . . . . . F . 2 ILE N . . . . . . . . . rr_1aot 1 . 1 . 32 . 1 1 2 ILE O O -34.507 17.804 28.677 . . . 1.0 . . . . . . . . . . . . F . 2 ILE O . . . . . . . . . rr_1aot 1 . 1 . 33 . 1 1 3 GLN C C -33.700 15.889 27.168 . . . 1.0 . . . . . . . . . . . . F . 3 GLN C . . . . . . . . . rr_1aot 1 . 1 . 34 . 1 1 3 GLN CA C -34.661 15.170 28.114 . . . 1.0 . . . . . . . . . . . . F . 3 GLN CA . . . . . . . . . rr_1aot 1 . 1 . 35 . 1 1 3 GLN CB C -35.166 13.889 27.449 . . . 1.0 . . . . . . . . . . . . F . 3 GLN CB . . . . . . . . . rr_1aot 1 . 1 . 36 . 1 1 3 GLN CD C -35.249 12.986 29.778 . . . 1.0 . . . . . . . . . . . . F . 3 GLN CD . . . . . . . . . rr_1aot 1 . 1 . 37 . 1 1 3 GLN CG C -34.836 12.687 28.336 . . . 1.0 . . . . . . . . . . . . F . 3 GLN CG . . . . . . . . . rr_1aot 1 . 1 . 38 . 1 1 3 GLN H H -36.728 15.691 28.446 . . . 1.0 . . . . . . . . . . . . F . 3 GLN H . . . . . . . . . rr_1aot 1 . 1 . 39 . 1 1 3 GLN HA H -34.144 14.921 29.026 . . . 1.0 . . . . . . . . . . . . F . 3 GLN HA . . . . . . . . . rr_1aot 1 . 1 . 40 . 1 1 3 GLN HB2 H -36.234 13.954 27.312 . . . 1.0 . . . . . . . . . . . . F . 3 GLN HB2 . . . . . . . . . rr_1aot 1 . 1 . 41 . 1 1 3 GLN HB3 H -34.687 13.770 26.488 . . . 1.0 . . . . . . . . . . . . F . 3 GLN HB3 . . . . . . . . . rr_1aot 1 . 1 . 42 . 1 1 3 GLN HE21 H -34.045 11.614 30.558 . . . 1.0 . . . . . . . . . . . . F . 3 GLN HE21 . . . . . . . . . rr_1aot 1 . 1 . 43 . 1 1 3 GLN HE22 H -34.967 12.491 31.680 . . . 1.0 . . . . . . . . . . . . F . 3 GLN HE22 . . . . . . . . . rr_1aot 1 . 1 . 44 . 1 1 3 GLN HG2 H -35.373 11.820 27.980 . . . 1.0 . . . . . . . . . . . . F . 3 GLN HG2 . . . . . . . . . rr_1aot 1 . 1 . 45 . 1 1 3 GLN HG3 H -33.774 12.493 28.298 . . . 1.0 . . . . . . . . . . . . F . 3 GLN HG3 . . . . . . . . . rr_1aot 1 . 1 . 46 . 1 1 3 GLN N N -35.819 16.059 28.428 . . . 1.0 . . . . . . . . . . . . F . 3 GLN N . . . . . . . . . rr_1aot 1 . 1 . 47 . 1 1 3 GLN NE2 N -34.709 12.307 30.753 . . . 1.0 . . . . . . . . . . . . F . 3 GLN NE2 . . . . . . . . . rr_1aot 1 . 1 . 48 . 1 1 3 GLN O O -32.496 15.765 27.275 . . . 1.0 . . . . . . . . . . . . F . 3 GLN O . . . . . . . . . rr_1aot 1 . 1 . 49 . 1 1 3 GLN OE1 O -36.072 13.847 30.021 . . . 1.0 . . . . . . . . . . . . F . 3 GLN OE1 . . . . . . . . . rr_1aot 1 . 1 . 50 . 1 1 4 ALA C C -32.237 16.461 24.787 . . . 1.0 . . . . . . . . . . . . F . 4 ALA C . . . . . . . . . rr_1aot 1 . 1 . 51 . 1 1 4 ALA CA C -33.347 17.381 25.296 . . . 1.0 . . . . . . . . . . . . F . 4 ALA CA . . . . . . . . . rr_1aot 1 . 1 . 52 . 1 1 4 ALA CB C -32.721 18.571 26.016 . . . 1.0 . . . . . . . . . . . . F . 4 ALA CB . . . . . . . . . rr_1aot 1 . 1 . 53 . 1 1 4 ALA H H -35.195 16.733 26.188 . . . 1.0 . . . . . . . . . . . . F . 4 ALA H . . . . . . . . . rr_1aot 1 . 1 . 54 . 1 1 4 ALA HA H -33.932 17.735 24.462 . . . 1.0 . . . . . . . . . . . . F . 4 ALA HA . . . . . . . . . rr_1aot 1 . 1 . 55 . 1 1 4 ALA HB1 H -33.389 18.910 26.793 . . . 1.0 . . . . . . . . . . . . F . 4 ALA HB1 . . . . . . . . . rr_1aot 1 . 1 . 56 . 1 1 4 ALA HB2 H -31.781 18.271 26.453 . . . 1.0 . . . . . . . . . . . . F . 4 ALA HB2 . . . . . . . . . rr_1aot 1 . 1 . 57 . 1 1 4 ALA HB3 H -32.552 19.371 25.311 . . . 1.0 . . . . . . . . . . . . F . 4 ALA HB3 . . . . . . . . . rr_1aot 1 . 1 . 58 . 1 1 4 ALA N N -34.224 16.645 26.248 . . . 1.0 . . . . . . . . . . . . F . 4 ALA N . . . . . . . . . rr_1aot 1 . 1 . 59 . 1 1 4 ALA O O -31.171 16.910 24.417 . . . 1.0 . . . . . . . . . . . . F . 4 ALA O . . . . . . . . . rr_1aot 1 . 1 . 60 . 1 1 5 GLU C C -31.900 12.799 24.314 . . . 1.0 . . . . . . . . . . . . F . 5 GLU C . . . . . . . . . rr_1aot 1 . 1 . 61 . 1 1 5 GLU CA C -31.411 14.251 24.270 . . . 1.0 . . . . . . . . . . . . F . 5 GLU CA . . . . . . . . . rr_1aot 1 . 1 . 62 . 1 1 5 GLU CB C -30.168 14.392 25.152 . . . 1.0 . . . . . . . . . . . . F . 5 GLU CB . . . . . . . . . rr_1aot 1 . 1 . 63 . 1 1 5 GLU CD C -29.712 14.652 27.594 . . . 1.0 . . . . . . . . . . . . F . 5 GLU CD . . . . . . . . . rr_1aot 1 . 1 . 64 . 1 1 5 GLU CG C -30.467 13.834 26.545 . . . 1.0 . . . . . . . . . . . . F . 5 GLU CG . . . . . . . . . rr_1aot 1 . 1 . 65 . 1 1 5 GLU H H -33.335 14.830 25.063 . . . 1.0 . . . . . . . . . . . . F . 5 GLU H . . . . . . . . . rr_1aot 1 . 1 . 66 . 1 1 5 GLU HA H -31.155 14.509 23.253 . . . 1.0 . . . . . . . . . . . . F . 5 GLU HA . . . . . . . . . rr_1aot 1 . 1 . 67 . 1 1 5 GLU HB2 H -29.350 13.842 24.711 . . . 1.0 . . . . . . . . . . . . F . 5 GLU HB2 . . . . . . . . . rr_1aot 1 . 1 . 68 . 1 1 5 GLU HB3 H -29.900 15.435 25.231 . . . 1.0 . . . . . . . . . . . . F . 5 GLU HB3 . . . . . . . . . rr_1aot 1 . 1 . 69 . 1 1 5 GLU HG2 H -31.528 13.894 26.737 . . . 1.0 . . . . . . . . . . . . F . 5 GLU HG2 . . . . . . . . . rr_1aot 1 . 1 . 70 . 1 1 5 GLU HG3 H -30.149 12.803 26.595 . . . 1.0 . . . . . . . . . . . . F . 5 GLU HG3 . . . . . . . . . rr_1aot 1 . 1 . 71 . 1 1 5 GLU N N -32.471 15.178 24.761 . . . 1.0 . . . . . . . . . . . . F . 5 GLU N . . . . . . . . . rr_1aot 1 . 1 . 72 . 1 1 5 GLU O O -31.165 11.904 24.680 . . . 1.0 . . . . . . . . . . . . F . 5 GLU O . . . . . . . . . rr_1aot 1 . 1 . 73 . 1 1 5 GLU OE1 O -28.548 14.363 27.818 . . . 1.0 . . . . . . . . . . . . F . 5 GLU OE1 . . . . . . . . . rr_1aot 1 . 1 . 74 . 1 1 5 GLU OE2 O -30.311 15.554 28.157 . . . 1.0 . . . . . . . . . . . . F . 5 GLU OE2 . . . . . . . . . rr_1aot 1 . 1 . 75 . 1 1 6 GLU C C -34.887 11.044 23.096 . . . 1.0 . . . . . . . . . . . . F . 6 GLU C . . . . . . . . . rr_1aot 1 . 1 . 76 . 1 1 6 GLU CA C -33.633 11.149 23.962 . . . 1.0 . . . . . . . . . . . . F . 6 GLU CA . . . . . . . . . rr_1aot 1 . 1 . 77 . 1 1 6 GLU CB C -33.973 10.752 25.400 . . . 1.0 . . . . . . . . . . . . F . 6 GLU CB . . . . . . . . . rr_1aot 1 . 1 . 78 . 1 1 6 GLU CD C -33.014 9.647 27.425 . . . 1.0 . . . . . . . . . . . . F . 6 GLU CD . . . . . . . . . rr_1aot 1 . 1 . 79 . 1 1 6 GLU CG C -32.683 10.446 26.163 . . . 1.0 . . . . . . . . . . . . F . 6 GLU CG . . . . . . . . . rr_1aot 1 . 1 . 80 . 1 1 6 GLU H H -33.710 13.278 23.644 . . . 1.0 . . . . . . . . . . . . F . 6 GLU H . . . . . . . . . rr_1aot 1 . 1 . 81 . 1 1 6 GLU HA H -32.876 10.487 23.576 . . . 1.0 . . . . . . . . . . . . F . 6 GLU HA . . . . . . . . . rr_1aot 1 . 1 . 82 . 1 1 6 GLU HB2 H -34.494 11.565 25.885 . . . 1.0 . . . . . . . . . . . . F . 6 GLU HB2 . . . . . . . . . rr_1aot 1 . 1 . 83 . 1 1 6 GLU HB3 H -34.603 9.875 25.392 . . . 1.0 . . . . . . . . . . . . F . 6 GLU HB3 . . . . . . . . . rr_1aot 1 . 1 . 84 . 1 1 6 GLU HG2 H -32.021 9.868 25.535 . . . 1.0 . . . . . . . . . . . . F . 6 GLU HG2 . . . . . . . . . rr_1aot 1 . 1 . 85 . 1 1 6 GLU HG3 H -32.200 11.372 26.439 . . . 1.0 . . . . . . . . . . . . F . 6 GLU HG3 . . . . . . . . . rr_1aot 1 . 1 . 86 . 1 1 6 GLU N N -33.126 12.550 23.941 . . . 1.0 . . . . . . . . . . . . F . 6 GLU N . . . . . . . . . rr_1aot 1 . 1 . 87 . 1 1 6 GLU O O -34.886 10.431 22.049 . . . 1.0 . . . . . . . . . . . . F . 6 GLU O . . . . . . . . . rr_1aot 1 . 1 . 88 . 1 1 6 GLU OE1 O -34.059 9.017 27.446 . . . 1.0 . . . . . . . . . . . . F . 6 GLU OE1 . . . . . . . . . rr_1aot 1 . 1 . 89 . 1 1 6 GLU OE2 O -32.218 9.680 28.349 . . . 1.0 . . . . . . . . . . . . F . 6 GLU OE2 . . . . . . . . . rr_1aot 1 . 1 . 90 . 1 1 7 TRP C C -37.563 12.989 22.247 . . . 1.0 . . . . . . . . . . . . F . 7 TRP C . . . . . . . . . rr_1aot 1 . 1 . 91 . 1 1 7 TRP CA C -37.224 11.589 22.756 . . . 1.0 . . . . . . . . . . . . F . 7 TRP CA . . . . . . . . . rr_1aot 1 . 1 . 92 . 1 1 7 TRP CB C -38.343 11.113 23.676 . . . 1.0 . . . . . . . . . . . . F . 7 TRP CB . . . . . . . . . rr_1aot 1 . 1 . 93 . 1 1 7 TRP CD1 C -37.595 11.398 26.071 . . . 1.0 . . . . . . . . . . . . F . 7 TRP CD1 . . . . . . . . . rr_1aot 1 . 1 . 94 . 1 1 7 TRP CD2 C -38.761 13.163 25.310 . . . 1.0 . . . . . . . . . . . . F . 7 TRP CD2 . . . . . . . . . rr_1aot 1 . 1 . 95 . 1 1 7 TRP CE2 C -38.415 13.454 26.650 . . . 1.0 . . . . . . . . . . . . F . 7 TRP CE2 . . . . . . . . . rr_1aot 1 . 1 . 96 . 1 1 7 TRP CE3 C -39.501 14.120 24.593 . . . 1.0 . . . . . . . . . . . . F . 7 TRP CE3 . . . . . . . . . rr_1aot 1 . 1 . 97 . 1 1 7 TRP CG C -38.237 11.849 24.970 . . . 1.0 . . . . . . . . . . . . F . 7 TRP CG . . . . . . . . . rr_1aot 1 . 1 . 98 . 1 1 7 TRP CH2 C -39.524 15.593 26.532 . . . 1.0 . . . . . . . . . . . . F . 7 TRP CH2 . . . . . . . . . rr_1aot 1 . 1 . 99 . 1 1 7 TRP CZ2 C -38.790 14.652 27.259 . . . 1.0 . . . . . . . . . . . . F . 7 TRP CZ2 . . . . . . . . . rr_1aot 1 . 1 . 100 . 1 1 7 TRP CZ3 C -39.879 15.328 25.201 . . . 1.0 . . . . . . . . . . . . F . 7 TRP CZ3 . . . . . . . . . rr_1aot 1 . 1 . 101 . 1 1 7 TRP H H -35.924 12.128 24.377 . . . 1.0 . . . . . . . . . . . . F . 7 TRP H . . . . . . . . . rr_1aot 1 . 1 . 102 . 1 1 7 TRP HA H -37.119 10.909 21.925 . . . 1.0 . . . . . . . . . . . . F . 7 TRP HA . . . . . . . . . rr_1aot 1 . 1 . 103 . 1 1 7 TRP HB2 H -39.300 11.318 23.219 . . . 1.0 . . . . . . . . . . . . F . 7 TRP HB2 . . . . . . . . . rr_1aot 1 . 1 . 104 . 1 1 7 TRP HB3 H -38.244 10.053 23.852 . . . 1.0 . . . . . . . . . . . . F . 7 TRP HB3 . . . . . . . . . rr_1aot 1 . 1 . 105 . 1 1 7 TRP HD1 H -37.084 10.452 26.155 . . . 1.0 . . . . . . . . . . . . F . 7 TRP HD1 . . . . . . . . . rr_1aot 1 . 1 . 106 . 1 1 7 TRP HE1 H -37.333 12.262 27.974 . . . 1.0 . . . . . . . . . . . . F . 7 TRP HE1 . . . . . . . . . rr_1aot 1 . 1 . 107 . 1 1 7 TRP HE3 H -39.779 13.925 23.568 . . . 1.0 . . . . . . . . . . . . F . 7 TRP HE3 . . . . . . . . . rr_1aot 1 . 1 . 108 . 1 1 7 TRP HH2 H -39.817 16.523 26.994 . . . 1.0 . . . . . . . . . . . . F . 7 TRP HH2 . . . . . . . . . rr_1aot 1 . 1 . 109 . 1 1 7 TRP HZ2 H -38.514 14.851 28.284 . . . 1.0 . . . . . . . . . . . . F . 7 TRP HZ2 . . . . . . . . . rr_1aot 1 . 1 . 110 . 1 1 7 TRP HZ3 H -40.445 16.056 24.641 . . . 1.0 . . . . . . . . . . . . F . 7 TRP HZ3 . . . . . . . . . rr_1aot 1 . 1 . 111 . 1 1 7 TRP N N -35.955 11.641 23.532 . . . 1.0 . . . . . . . . . . . . F . 7 TRP N . . . . . . . . . rr_1aot 1 . 1 . 112 . 1 1 7 TRP NE1 N -37.706 12.346 27.072 . . . 1.0 . . . . . . . . . . . . F . 7 TRP NE1 . . . . . . . . . rr_1aot 1 . 1 . 113 . 1 1 7 TRP O O -38.576 13.198 21.615 . . . 1.0 . . . . . . . . . . . . F . 7 TRP O . . . . . . . . . rr_1aot 1 . 1 . 114 . 1 1 8 TYR C C -35.664 16.035 21.795 . . . 1.0 . . . . . . . . . . . . F . 8 TYR C . . . . . . . . . rr_1aot 1 . 1 . 115 . 1 1 8 TYR CA C -36.998 15.340 22.088 . . . 1.0 . . . . . . . . . . . . F . 8 TYR CA . . . . . . . . . rr_1aot 1 . 1 . 116 . 1 1 8 TYR CB C -37.785 16.060 23.192 . . . 1.0 . . . . . . . . . . . . F . 8 TYR CB . . . . . . . . . rr_1aot 1 . 1 . 117 . 1 1 8 TYR CD1 C -36.301 17.935 23.962 . . . 1.0 . . . . . . . . . . . . F . 8 TYR CD1 . . . . . . . . . rr_1aot 1 . 1 . 118 . 1 1 8 TYR CD2 C -38.227 18.472 22.594 . . . 1.0 . . . . . . . . . . . . F . 8 TYR CD2 . . . . . . . . . rr_1aot 1 . 1 . 119 . 1 1 8 TYR CE1 C -35.962 19.289 24.023 . . . 1.0 . . . . . . . . . . . . F . 8 TYR CE1 . . . . . . . . . rr_1aot 1 . 1 . 120 . 1 1 8 TYR CE2 C -37.888 19.827 22.653 . . . 1.0 . . . . . . . . . . . . F . 8 TYR CE2 . . . . . . . . . rr_1aot 1 . 1 . 121 . 1 1 8 TYR CG C -37.431 17.527 23.248 . . . 1.0 . . . . . . . . . . . . F . 8 TYR CG . . . . . . . . . rr_1aot 1 . 1 . 122 . 1 1 8 TYR CZ C -36.754 20.236 23.367 . . . 1.0 . . . . . . . . . . . . F . 8 TYR CZ . . . . . . . . . rr_1aot 1 . 1 . 123 . 1 1 8 TYR H H -35.934 13.764 23.062 . . . 1.0 . . . . . . . . . . . . F . 8 TYR H . . . . . . . . . rr_1aot 1 . 1 . 124 . 1 1 8 TYR HA H -37.583 15.316 21.183 . . . 1.0 . . . . . . . . . . . . F . 8 TYR HA . . . . . . . . . rr_1aot 1 . 1 . 125 . 1 1 8 TYR HB2 H -38.837 15.955 22.993 . . . 1.0 . . . . . . . . . . . . F . 8 TYR HB2 . . . . . . . . . rr_1aot 1 . 1 . 126 . 1 1 8 TYR HB3 H -37.558 15.604 24.144 . . . 1.0 . . . . . . . . . . . . F . 8 TYR HB3 . . . . . . . . . rr_1aot 1 . 1 . 127 . 1 1 8 TYR HD1 H -35.691 17.202 24.465 . . . 1.0 . . . . . . . . . . . . F . 8 TYR HD1 . . . . . . . . . rr_1aot 1 . 1 . 128 . 1 1 8 TYR HD2 H -39.108 18.159 22.050 . . . 1.0 . . . . . . . . . . . . F . 8 TYR HD2 . . . . . . . . . rr_1aot 1 . 1 . 129 . 1 1 8 TYR HE1 H -35.089 19.604 24.574 . . . 1.0 . . . . . . . . . . . . F . 8 TYR HE1 . . . . . . . . . rr_1aot 1 . 1 . 130 . 1 1 8 TYR HE2 H -38.493 20.555 22.140 . . . 1.0 . . . . . . . . . . . . F . 8 TYR HE2 . . . . . . . . . rr_1aot 1 . 1 . 131 . 1 1 8 TYR HH H -35.867 21.708 24.198 . . . 1.0 . . . . . . . . . . . . F . 8 TYR HH . . . . . . . . . rr_1aot 1 . 1 . 132 . 1 1 8 TYR N N -36.730 13.952 22.536 . . . 1.0 . . . . . . . . . . . . F . 8 TYR N . . . . . . . . . rr_1aot 1 . 1 . 133 . 1 1 8 TYR O O -34.753 16.027 22.599 . . . 1.0 . . . . . . . . . . . . F . 8 TYR O . . . . . . . . . rr_1aot 1 . 1 . 134 . 1 1 8 TYR OH O -36.422 21.574 23.426 . . . 1.0 . . . . . . . . . . . . F . 8 TYR OH . . . . . . . . . rr_1aot 1 . 1 . 135 . 1 1 9 PHE C C -34.381 18.797 20.483 . . . 1.0 . . . . . . . . . . . . F . 9 PHE C . . . . . . . . . rr_1aot 1 . 1 . 136 . 1 1 9 PHE CA C -34.274 17.288 20.249 . . . 1.0 . . . . . . . . . . . . F . 9 PHE CA . . . . . . . . . rr_1aot 1 . 1 . 137 . 1 1 9 PHE CB C -34.005 17.015 18.767 . . . 1.0 . . . . . . . . . . . . F . 9 PHE CB . . . . . . . . . rr_1aot 1 . 1 . 138 . 1 1 9 PHE CD1 C -33.561 14.660 19.581 . . . 1.0 . . . . . . . . . . . . F . 9 PHE CD1 . . . . . . . . . rr_1aot 1 . 1 . 139 . 1 1 9 PHE CD2 C -32.553 15.385 17.493 . . . 1.0 . . . . . . . . . . . . F . 9 PHE CD2 . . . . . . . . . rr_1aot 1 . 1 . 140 . 1 1 9 PHE CE1 C -32.961 13.404 19.432 . . . 1.0 . . . . . . . . . . . . F . 9 PHE CE1 . . . . . . . . . rr_1aot 1 . 1 . 141 . 1 1 9 PHE CE2 C -31.955 14.127 17.348 . . . 1.0 . . . . . . . . . . . . F . 9 PHE CE2 . . . . . . . . . rr_1aot 1 . 1 . 142 . 1 1 9 PHE CG C -33.357 15.655 18.610 . . . 1.0 . . . . . . . . . . . . F . 9 PHE CG . . . . . . . . . rr_1aot 1 . 1 . 143 . 1 1 9 PHE CZ C -32.158 13.138 18.317 . . . 1.0 . . . . . . . . . . . . F . 9 PHE CZ . . . . . . . . . rr_1aot 1 . 1 . 144 . 1 1 9 PHE H H -36.288 16.587 19.999 . . . 1.0 . . . . . . . . . . . . F . 9 PHE H . . . . . . . . . rr_1aot 1 . 1 . 145 . 1 1 9 PHE HA H -33.465 16.891 20.838 . . . 1.0 . . . . . . . . . . . . F . 9 PHE HA . . . . . . . . . rr_1aot 1 . 1 . 146 . 1 1 9 PHE HB2 H -34.940 17.030 18.226 . . . 1.0 . . . . . . . . . . . . F . 9 PHE HB2 . . . . . . . . . rr_1aot 1 . 1 . 147 . 1 1 9 PHE HB3 H -33.352 17.779 18.371 . . . 1.0 . . . . . . . . . . . . F . 9 PHE HB3 . . . . . . . . . rr_1aot 1 . 1 . 148 . 1 1 9 PHE HD1 H -34.181 14.861 20.444 . . . 1.0 . . . . . . . . . . . . F . 9 PHE HD1 . . . . . . . . . rr_1aot 1 . 1 . 149 . 1 1 9 PHE HD2 H -32.396 16.145 16.742 . . . 1.0 . . . . . . . . . . . . F . 9 PHE HD2 . . . . . . . . . rr_1aot 1 . 1 . 150 . 1 1 9 PHE HE1 H -33.117 12.640 20.179 . . . 1.0 . . . . . . . . . . . . F . 9 PHE HE1 . . . . . . . . . rr_1aot 1 . 1 . 151 . 1 1 9 PHE HE2 H -31.336 13.921 16.488 . . . 1.0 . . . . . . . . . . . . F . 9 PHE HE2 . . . . . . . . . rr_1aot 1 . 1 . 152 . 1 1 9 PHE HZ H -31.696 12.169 18.204 . . . 1.0 . . . . . . . . . . . . F . 9 PHE HZ . . . . . . . . . rr_1aot 1 . 1 . 153 . 1 1 9 PHE N N -35.544 16.613 20.632 . . . 1.0 . . . . . . . . . . . . F . 9 PHE N . . . . . . . . . rr_1aot 1 . 1 . 154 . 1 1 9 PHE O O -33.446 19.431 20.929 . . . 1.0 . . . . . . . . . . . . F . 9 PHE O . . . . . . . . . rr_1aot 1 . 1 . 155 . 1 1 10 GLY C C -36.604 21.404 19.318 . . . 1.0 . . . . . . . . . . . . F . 10 GLY C . . . . . . . . . rr_1aot 1 . 1 . 156 . 1 1 10 GLY CA C -35.660 20.847 20.378 . . . 1.0 . . . . . . . . . . . . F . 10 GLY CA . . . . . . . . . rr_1aot 1 . 1 . 157 . 1 1 10 GLY H H -36.247 18.856 19.816 . . . 1.0 . . . . . . . . . . . . F . 10 GLY H . . . . . . . . . rr_1aot 1 . 1 . 158 . 1 1 10 GLY HA2 H -36.066 21.042 21.354 . . . 1.0 . . . . . . . . . . . . F . 10 GLY HA2 . . . . . . . . . rr_1aot 1 . 1 . 159 . 1 1 10 GLY HA3 H -34.696 21.326 20.288 . . . 1.0 . . . . . . . . . . . . F . 10 GLY HA3 . . . . . . . . . rr_1aot 1 . 1 . 160 . 1 1 10 GLY N N -35.506 19.380 20.179 . . . 1.0 . . . . . . . . . . . . F . 10 GLY N . . . . . . . . . rr_1aot 1 . 1 . 161 . 1 1 10 GLY O O -37.735 20.978 19.190 . . . 1.0 . . . . . . . . . . . . F . 10 GLY O . . . . . . . . . rr_1aot 1 . 1 . 162 . 1 1 11 LYS C C -36.530 22.397 16.149 . . . 1.0 . . . . . . . . . . . . F . 11 LYS C . . . . . . . . . rr_1aot 1 . 1 . 163 . 1 1 11 LYS CA C -37.005 22.932 17.494 . . . 1.0 . . . . . . . . . . . . F . 11 LYS CA . . . . . . . . . rr_1aot 1 . 1 . 164 . 1 1 11 LYS CB C -36.892 24.455 17.530 . . . 1.0 . . . . . . . . . . . . F . 11 LYS CB . . . . . . . . . rr_1aot 1 . 1 . 165 . 1 1 11 LYS CD C -35.778 25.858 19.272 . . . 1.0 . . . . . . . . . . . . F . 11 LYS CD . . . . . . . . . rr_1aot 1 . 1 . 166 . 1 1 11 LYS CE C -35.772 26.229 20.756 . . . 1.0 . . . . . . . . . . . . F . 11 LYS CE . . . . . . . . . rr_1aot 1 . 1 . 167 . 1 1 11 LYS CG C -36.956 24.925 18.985 . . . 1.0 . . . . . . . . . . . . F . 11 LYS CG . . . . . . . . . rr_1aot 1 . 1 . 168 . 1 1 11 LYS H H -35.230 22.669 18.670 . . . 1.0 . . . . . . . . . . . . F . 11 LYS H . . . . . . . . . rr_1aot 1 . 1 . 169 . 1 1 11 LYS HA H -38.029 22.637 17.660 . . . 1.0 . . . . . . . . . . . . F . 11 LYS HA . . . . . . . . . rr_1aot 1 . 1 . 170 . 1 1 11 LYS HB2 H -35.952 24.758 17.093 . . . 1.0 . . . . . . . . . . . . F . 11 LYS HB2 . . . . . . . . . rr_1aot 1 . 1 . 171 . 1 1 11 LYS HB3 H -37.707 24.892 16.972 . . . 1.0 . . . . . . . . . . . . F . 11 LYS HB3 . . . . . . . . . rr_1aot 1 . 1 . 172 . 1 1 11 LYS HD2 H -34.854 25.359 19.022 . . . 1.0 . . . . . . . . . . . . F . 11 LYS HD2 . . . . . . . . . rr_1aot 1 . 1 . 173 . 1 1 11 LYS HD3 H -35.875 26.755 18.677 . . . 1.0 . . . . . . . . . . . . F . 11 LYS HD3 . . . . . . . . . rr_1aot 1 . 1 . 174 . 1 1 11 LYS HE2 H -36.783 26.219 21.135 . . . 1.0 . . . . . . . . . . . . F . 11 LYS HE2 . . . . . . . . . rr_1aot 1 . 1 . 175 . 1 1 11 LYS HE3 H -35.175 25.514 21.303 . . . 1.0 . . . . . . . . . . . . F . 11 LYS HE3 . . . . . . . . . rr_1aot 1 . 1 . 176 . 1 1 11 LYS HG2 H -37.883 25.453 19.151 . . . 1.0 . . . . . . . . . . . . F . 11 LYS HG2 . . . . . . . . . rr_1aot 1 . 1 . 177 . 1 1 11 LYS HG3 H -36.907 24.068 19.643 . . . 1.0 . . . . . . . . . . . . F . 11 LYS HG3 . . . . . . . . . rr_1aot 1 . 1 . 178 . 1 1 11 LYS HZ1 H -35.132 28.060 19.997 . . . 1.0 . . . . . . . . . . . . F . 11 LYS HZ1 . . . . . . . . . rr_1aot 1 . 1 . 179 . 1 1 11 LYS HZ2 H -35.798 28.151 21.558 . . . 1.0 . . . . . . . . . . . . F . 11 LYS HZ2 . . . . . . . . . rr_1aot 1 . 1 . 180 . 1 1 11 LYS HZ3 H -34.241 27.516 21.338 . . . 1.0 . . . . . . . . . . . . F . 11 LYS HZ3 . . . . . . . . . rr_1aot 1 . 1 . 181 . 1 1 11 LYS N N -36.145 22.348 18.553 . . . 1.0 . . . . . . . . . . . . F . 11 LYS N . . . . . . . . . rr_1aot 1 . 1 . 182 . 1 1 11 LYS NZ N -35.192 27.592 20.925 . . . 1.0 . . . . . . . . . . . . F . 11 LYS NZ . . . . . . . . . rr_1aot 1 . 1 . 183 . 1 1 11 LYS O O -35.958 23.107 15.345 . . . 1.0 . . . . . . . . . . . . F . 11 LYS O . . . . . . . . . rr_1aot 1 . 1 . 184 . 1 1 12 LEU C C -37.465 20.292 13.705 . . . 1.0 . . . . . . . . . . . . F . 12 LEU C . . . . . . . . . rr_1aot 1 . 1 . 185 . 1 1 12 LEU CA C -36.281 20.516 14.647 . . . 1.0 . . . . . . . . . . . . F . 12 LEU CA . . . . . . . . . rr_1aot 1 . 1 . 186 . 1 1 12 LEU CB C -35.623 19.174 14.970 . . . 1.0 . . . . . . . . . . . . F . 12 LEU CB . . . . . . . . . rr_1aot 1 . 1 . 187 . 1 1 12 LEU CD1 C -33.956 19.783 13.212 . . . 1.0 . . . . . . . . . . . . F . 12 LEU CD1 . . . . . . . . . rr_1aot 1 . 1 . 188 . 1 1 12 LEU CD2 C -33.992 17.472 14.162 . . . 1.0 . . . . . . . . . . . . F . 12 LEU CD2 . . . . . . . . . rr_1aot 1 . 1 . 189 . 1 1 12 LEU CG C -34.853 18.668 13.754 . . . 1.0 . . . . . . . . . . . . F . 12 LEU CG . . . . . . . . . rr_1aot 1 . 1 . 190 . 1 1 12 LEU H H -37.186 20.585 16.598 . . . 1.0 . . . . . . . . . . . . F . 12 LEU H . . . . . . . . . rr_1aot 1 . 1 . 191 . 1 1 12 LEU HA H -35.564 21.165 14.173 . . . 1.0 . . . . . . . . . . . . F . 12 LEU HA . . . . . . . . . rr_1aot 1 . 1 . 192 . 1 1 12 LEU HB2 H -34.942 19.299 15.799 . . . 1.0 . . . . . . . . . . . . F . 12 LEU HB2 . . . . . . . . . rr_1aot 1 . 1 . 193 . 1 1 12 LEU HB3 H -36.384 18.456 15.236 . . . 1.0 . . . . . . . . . . . . F . 12 LEU HB3 . . . . . . . . . rr_1aot 1 . 1 . 194 . 1 1 12 LEU HD11 H -33.850 20.558 13.957 . . . 1.0 . . . . . . . . . . . . F . 12 LEU HD11 . . . . . . . . . rr_1aot 1 . 1 . 195 . 1 1 12 LEU HD12 H -32.985 19.377 12.974 . . . 1.0 . . . . . . . . . . . . F . 12 LEU HD12 . . . . . . . . . rr_1aot 1 . 1 . 196 . 1 1 12 LEU HD13 H -34.401 20.197 12.317 . . . 1.0 . . . . . . . . . . . . F . 12 LEU HD13 . . . . . . . . . rr_1aot 1 . 1 . 197 . 1 1 12 LEU HD21 H -33.953 17.409 15.240 . . . 1.0 . . . . . . . . . . . . F . 12 LEU HD21 . . . . . . . . . rr_1aot 1 . 1 . 198 . 1 1 12 LEU HD22 H -34.425 16.567 13.763 . . . 1.0 . . . . . . . . . . . . F . 12 LEU HD22 . . . . . . . . . rr_1aot 1 . 1 . 199 . 1 1 12 LEU HD23 H -32.994 17.597 13.771 . . . 1.0 . . . . . . . . . . . . F . 12 LEU HD23 . . . . . . . . . rr_1aot 1 . 1 . 200 . 1 1 12 LEU HG H -35.549 18.360 12.989 . . . 1.0 . . . . . . . . . . . . F . 12 LEU HG . . . . . . . . . rr_1aot 1 . 1 . 201 . 1 1 12 LEU N N -36.741 21.135 15.919 . . . 1.0 . . . . . . . . . . . . F . 12 LEU N . . . . . . . . . rr_1aot 1 . 1 . 202 . 1 1 12 LEU O O -38.611 20.429 14.084 . . . 1.0 . . . . . . . . . . . . F . 12 LEU O . . . . . . . . . rr_1aot 1 . 1 . 203 . 1 1 13 GLY C C -38.352 18.224 11.150 . . . 1.0 . . . . . . . . . . . . F . 13 GLY C . . . . . . . . . rr_1aot 1 . 1 . 204 . 1 1 13 GLY CA C -38.294 19.711 11.502 . . . 1.0 . . . . . . . . . . . . F . 13 GLY CA . . . . . . . . . rr_1aot 1 . 1 . 205 . 1 1 13 GLY H H -36.259 19.842 12.188 . . . 1.0 . . . . . . . . . . . . F . 13 GLY H . . . . . . . . . rr_1aot 1 . 1 . 206 . 1 1 13 GLY HA2 H -39.233 20.014 11.943 . . . 1.0 . . . . . . . . . . . . F . 13 GLY HA2 . . . . . . . . . rr_1aot 1 . 1 . 207 . 1 1 13 GLY HA3 H -38.114 20.287 10.606 . . . 1.0 . . . . . . . . . . . . F . 13 GLY HA3 . . . . . . . . . rr_1aot 1 . 1 . 208 . 1 1 13 GLY N N -37.192 19.947 12.474 . . . 1.0 . . . . . . . . . . . . F . 13 GLY N . . . . . . . . . rr_1aot 1 . 1 . 209 . 1 1 13 GLY O O -37.821 17.387 11.852 . . . 1.0 . . . . . . . . . . . . F . 13 GLY O . . . . . . . . . rr_1aot 1 . 1 . 210 . 1 1 14 ARG C C -37.932 16.080 8.757 . . . 1.0 . . . . . . . . . . . . F . 14 ARG C . . . . . . . . . rr_1aot 1 . 1 . 211 . 1 1 14 ARG CA C -39.101 16.456 9.669 . . . 1.0 . . . . . . . . . . . . F . 14 ARG CA . . . . . . . . . rr_1aot 1 . 1 . 212 . 1 1 14 ARG CB C -40.409 16.237 8.913 . . . 1.0 . . . . . . . . . . . . F . 14 ARG CB . . . . . . . . . rr_1aot 1 . 1 . 213 . 1 1 14 ARG CD C -40.759 16.624 6.469 . . . 1.0 . . . . . . . . . . . . F . 14 ARG CD . . . . . . . . . rr_1aot 1 . 1 . 214 . 1 1 14 ARG CG C -40.556 17.303 7.826 . . . 1.0 . . . . . . . . . . . . F . 14 ARG CG . . . . . . . . . rr_1aot 1 . 1 . 215 . 1 1 14 ARG CZ C -42.263 17.024 4.613 . . . 1.0 . . . . . . . . . . . . F . 14 ARG CZ . . . . . . . . . rr_1aot 1 . 1 . 216 . 1 1 14 ARG H H -39.424 18.582 9.520 . . . 1.0 . . . . . . . . . . . . F . 14 ARG H . . . . . . . . . rr_1aot 1 . 1 . 217 . 1 1 14 ARG HA H -39.086 15.832 10.551 . . . 1.0 . . . . . . . . . . . . F . 14 ARG HA . . . . . . . . . rr_1aot 1 . 1 . 218 . 1 1 14 ARG HB2 H -40.398 15.260 8.457 . . . 1.0 . . . . . . . . . . . . F . 14 ARG HB2 . . . . . . . . . rr_1aot 1 . 1 . 219 . 1 1 14 ARG HB3 H -41.238 16.306 9.600 . . . 1.0 . . . . . . . . . . . . F . 14 ARG HB3 . . . . . . . . . rr_1aot 1 . 1 . 220 . 1 1 14 ARG HD2 H -39.971 16.925 5.795 . . . 1.0 . . . . . . . . . . . . F . 14 ARG HD2 . . . . . . . . . rr_1aot 1 . 1 . 221 . 1 1 14 ARG HD3 H -40.734 15.552 6.596 . . . 1.0 . . . . . . . . . . . . F . 14 ARG HD3 . . . . . . . . . rr_1aot 1 . 1 . 222 . 1 1 14 ARG HE H -42.806 17.294 6.503 . . . 1.0 . . . . . . . . . . . . F . 14 ARG HE . . . . . . . . . rr_1aot 1 . 1 . 223 . 1 1 14 ARG HG2 H -41.408 17.929 8.047 . . . 1.0 . . . . . . . . . . . . F . 14 ARG HG2 . . . . . . . . . rr_1aot 1 . 1 . 224 . 1 1 14 ARG HG3 H -39.663 17.910 7.794 . . . 1.0 . . . . . . . . . . . . F . 14 ARG HG3 . . . . . . . . . rr_1aot 1 . 1 . 225 . 1 1 14 ARG HH11 H -40.602 15.977 4.222 . . . 1.0 . . . . . . . . . . . . F . 14 ARG HH11 . . . . . . . . . rr_1aot 1 . 1 . 226 . 1 1 14 ARG HH12 H -41.545 16.428 2.841 . . . 1.0 . . . . . . . . . . . . F . 14 ARG HH12 . . . . . . . . . rr_1aot 1 . 1 . 227 . 1 1 14 ARG HH21 H -43.967 18.072 4.701 . . . 1.0 . . . . . . . . . . . . F . 14 ARG HH21 . . . . . . . . . rr_1aot 1 . 1 . 228 . 1 1 14 ARG HH22 H -43.450 17.614 3.113 . . . 1.0 . . . . . . . . . . . . F . 14 ARG HH22 . . . . . . . . . rr_1aot 1 . 1 . 229 . 1 1 14 ARG N N -38.999 17.889 10.069 . . . 1.0 . . . . . . . . . . . . F . 14 ARG N . . . . . . . . . rr_1aot 1 . 1 . 230 . 1 1 14 ARG NE N -42.077 17.027 5.905 . . . 1.0 . . . . . . . . . . . . F . 14 ARG NE . . . . . . . . . rr_1aot 1 . 1 . 231 . 1 1 14 ARG NH1 N -41.403 16.430 3.831 . . . 1.0 . . . . . . . . . . . . F . 14 ARG NH1 . . . . . . . . . rr_1aot 1 . 1 . 232 . 1 1 14 ARG NH2 N -43.308 17.616 4.102 . . . 1.0 . . . . . . . . . . . . F . 14 ARG NH2 . . . . . . . . . rr_1aot 1 . 1 . 233 . 1 1 14 ARG O O -37.608 14.920 8.592 . . . 1.0 . . . . . . . . . . . . F . 14 ARG O . . . . . . . . . rr_1aot 1 . 1 . 234 . 1 1 15 LYS C C -34.924 16.478 8.060 . . . 1.0 . . . . . . . . . . . . F . 15 LYS C . . . . . . . . . rr_1aot 1 . 1 . 235 . 1 1 15 LYS CA C -36.179 16.752 7.243 . . . 1.0 . . . . . . . . . . . . F . 15 LYS CA . . . . . . . . . rr_1aot 1 . 1 . 236 . 1 1 15 LYS CB C -35.937 17.947 6.319 . . . 1.0 . . . . . . . . . . . . F . 15 LYS CB . . . . . . . . . rr_1aot 1 . 1 . 237 . 1 1 15 LYS CD C -35.530 18.642 3.954 . . . 1.0 . . . . . . . . . . . . F . 15 LYS CD . . . . . . . . . rr_1aot 1 . 1 . 238 . 1 1 15 LYS CE C -34.963 18.166 2.615 . . . 1.0 . . . . . . . . . . . . F . 15 LYS CE . . . . . . . . . rr_1aot 1 . 1 . 239 . 1 1 15 LYS CG C -35.685 17.447 4.896 . . . 1.0 . . . . . . . . . . . . F . 15 LYS CG . . . . . . . . . rr_1aot 1 . 1 . 240 . 1 1 15 LYS H H -37.584 17.965 8.290 . . . 1.0 . . . . . . . . . . . . F . 15 LYS H . . . . . . . . . rr_1aot 1 . 1 . 241 . 1 1 15 LYS HA H -36.422 15.891 6.656 . . . 1.0 . . . . . . . . . . . . F . 15 LYS HA . . . . . . . . . rr_1aot 1 . 1 . 242 . 1 1 15 LYS HB2 H -36.805 18.589 6.326 . . . 1.0 . . . . . . . . . . . . F . 15 LYS HB2 . . . . . . . . . rr_1aot 1 . 1 . 243 . 1 1 15 LYS HB3 H -35.076 18.501 6.664 . . . 1.0 . . . . . . . . . . . . F . 15 LYS HB3 . . . . . . . . . rr_1aot 1 . 1 . 244 . 1 1 15 LYS HD2 H -36.494 19.102 3.794 . . . 1.0 . . . . . . . . . . . . F . 15 LYS HD2 . . . . . . . . . rr_1aot 1 . 1 . 245 . 1 1 15 LYS HD3 H -34.856 19.362 4.395 . . . 1.0 . . . . . . . . . . . . F . 15 LYS HD3 . . . . . . . . . rr_1aot 1 . 1 . 246 . 1 1 15 LYS HE2 H -34.015 17.676 2.779 . . . 1.0 . . . . . . . . . . . . F . 15 LYS HE2 . . . . . . . . . rr_1aot 1 . 1 . 247 . 1 1 15 LYS HE3 H -35.653 17.472 2.159 . . . 1.0 . . . . . . . . . . . . F . 15 LYS HE3 . . . . . . . . . rr_1aot 1 . 1 . 248 . 1 1 15 LYS HG2 H -34.782 16.854 4.877 . . . 1.0 . . . . . . . . . . . . F . 15 LYS HG2 . . . . . . . . . rr_1aot 1 . 1 . 249 . 1 1 15 LYS HG3 H -36.519 16.841 4.574 . . . 1.0 . . . . . . . . . . . . F . 15 LYS HG3 . . . . . . . . . rr_1aot 1 . 1 . 250 . 1 1 15 LYS HZ1 H -35.485 20.060 1.923 . . . 1.0 . . . . . . . . . . . . F . 15 LYS HZ1 . . . . . . . . . rr_1aot 1 . 1 . 251 . 1 1 15 LYS HZ2 H -33.821 19.737 1.865 . . . 1.0 . . . . . . . . . . . . F . 15 LYS HZ2 . . . . . . . . . rr_1aot 1 . 1 . 252 . 1 1 15 LYS HZ3 H -34.862 19.031 0.724 . . . 1.0 . . . . . . . . . . . . F . 15 LYS HZ3 . . . . . . . . . rr_1aot 1 . 1 . 253 . 1 1 15 LYS N N -37.307 17.048 8.152 . . . 1.0 . . . . . . . . . . . . F . 15 LYS N . . . . . . . . . rr_1aot 1 . 1 . 254 . 1 1 15 LYS NZ N -34.768 19.337 1.714 . . . 1.0 . . . . . . . . . . . . F . 15 LYS NZ . . . . . . . . . rr_1aot 1 . 1 . 255 . 1 1 15 LYS O O -34.148 15.593 7.752 . . . 1.0 . . . . . . . . . . . . F . 15 LYS O . . . . . . . . . rr_1aot 1 . 1 . 256 . 1 1 16 ASP C C -33.732 15.767 10.778 . . . 1.0 . . . . . . . . . . . . F . 16 ASP C . . . . . . . . . rr_1aot 1 . 1 . 257 . 1 1 16 ASP CA C -33.522 17.011 9.930 . . . 1.0 . . . . . . . . . . . . F . 16 ASP CA . . . . . . . . . rr_1aot 1 . 1 . 258 . 1 1 16 ASP CB C -33.340 18.209 10.839 . . . 1.0 . . . . . . . . . . . . F . 16 ASP CB . . . . . . . . . rr_1aot 1 . 1 . 259 . 1 1 16 ASP CG C -31.860 18.371 11.192 . . . 1.0 . . . . . . . . . . . . F . 16 ASP CG . . . . . . . . . rr_1aot 1 . 1 . 260 . 1 1 16 ASP H H -35.342 17.930 9.346 . . . 1.0 . . . . . . . . . . . . F . 16 ASP H . . . . . . . . . rr_1aot 1 . 1 . 261 . 1 1 16 ASP HA H -32.669 16.896 9.297 . . . 1.0 . . . . . . . . . . . . F . 16 ASP HA . . . . . . . . . rr_1aot 1 . 1 . 262 . 1 1 16 ASP HB2 H -33.696 19.093 10.339 . . . 1.0 . . . . . . . . . . . . F . 16 ASP HB2 . . . . . . . . . rr_1aot 1 . 1 . 263 . 1 1 16 ASP HB3 H -33.913 18.050 11.732 . . . 1.0 . . . . . . . . . . . . F . 16 ASP HB3 . . . . . . . . . rr_1aot 1 . 1 . 264 . 1 1 16 ASP N N -34.715 17.227 9.103 . . . 1.0 . . . . . . . . . . . . F . 16 ASP N . . . . . . . . . rr_1aot 1 . 1 . 265 . 1 1 16 ASP O O -32.807 15.056 11.103 . . . 1.0 . . . . . . . . . . . . F . 16 ASP O . . . . . . . . . rr_1aot 1 . 1 . 266 . 1 1 16 ASP OD1 O -31.181 17.362 11.291 . . . 1.0 . . . . . . . . . . . . F . 16 ASP OD1 . . . . . . . . . rr_1aot 1 . 1 . 267 . 1 1 16 ASP OD2 O -31.431 19.501 11.358 . . . 1.0 . . . . . . . . . . . . F . 16 ASP OD2 . . . . . . . . . rr_1aot 1 . 1 . 268 . 1 1 17 ALA C C -34.985 13.050 11.182 . . . 1.0 . . . . . . . . . . . . F . 17 ALA C . . . . . . . . . rr_1aot 1 . 1 . 269 . 1 1 17 ALA CA C -35.253 14.323 11.984 . . . 1.0 . . . . . . . . . . . . F . 17 ALA CA . . . . . . . . . rr_1aot 1 . 1 . 270 . 1 1 17 ALA CB C -36.719 14.359 12.418 . . . 1.0 . . . . . . . . . . . . F . 17 ALA CB . . . . . . . . . rr_1aot 1 . 1 . 271 . 1 1 17 ALA H H -35.676 16.120 10.874 . . . 1.0 . . . . . . . . . . . . F . 17 ALA H . . . . . . . . . rr_1aot 1 . 1 . 272 . 1 1 17 ALA HA H -34.621 14.335 12.854 . . . 1.0 . . . . . . . . . . . . F . 17 ALA HA . . . . . . . . . rr_1aot 1 . 1 . 273 . 1 1 17 ALA HB1 H -37.344 14.557 11.560 . . . 1.0 . . . . . . . . . . . . F . 17 ALA HB1 . . . . . . . . . rr_1aot 1 . 1 . 274 . 1 1 17 ALA HB2 H -36.990 13.406 12.849 . . . 1.0 . . . . . . . . . . . . F . 17 ALA HB2 . . . . . . . . . rr_1aot 1 . 1 . 275 . 1 1 17 ALA HB3 H -36.857 15.138 13.153 . . . 1.0 . . . . . . . . . . . . F . 17 ALA HB3 . . . . . . . . . rr_1aot 1 . 1 . 276 . 1 1 17 ALA N N -34.954 15.515 11.146 . . . 1.0 . . . . . . . . . . . . F . 17 ALA N . . . . . . . . . rr_1aot 1 . 1 . 277 . 1 1 17 ALA O O -34.435 12.092 11.686 . . . 1.0 . . . . . . . . . . . . F . 17 ALA O . . . . . . . . . rr_1aot 1 . 1 . 278 . 1 1 18 GLU C C -33.628 11.624 8.906 . . . 1.0 . . . . . . . . . . . . F . 18 GLU C . . . . . . . . . rr_1aot 1 . 1 . 279 . 1 1 18 GLU CA C -35.131 11.818 9.107 . . . 1.0 . . . . . . . . . . . . F . 18 GLU CA . . . . . . . . . rr_1aot 1 . 1 . 280 . 1 1 18 GLU CB C -35.811 11.984 7.747 . . . 1.0 . . . . . . . . . . . . F . 18 GLU CB . . . . . . . . . rr_1aot 1 . 1 . 281 . 1 1 18 GLU CD C -35.964 13.412 5.703 . . . 1.0 . . . . . . . . . . . . F . 18 GLU CD . . . . . . . . . rr_1aot 1 . 1 . 282 . 1 1 18 GLU CG C -35.345 13.288 7.096 . . . 1.0 . . . . . . . . . . . . F . 18 GLU CG . . . . . . . . . rr_1aot 1 . 1 . 283 . 1 1 18 GLU H H -35.809 13.816 9.549 . . . 1.0 . . . . . . . . . . . . F . 18 GLU H . . . . . . . . . rr_1aot 1 . 1 . 284 . 1 1 18 GLU HA H -35.540 10.954 9.610 . . . 1.0 . . . . . . . . . . . . F . 18 GLU HA . . . . . . . . . rr_1aot 1 . 1 . 285 . 1 1 18 GLU HB2 H -35.549 11.151 7.111 . . . 1.0 . . . . . . . . . . . . F . 18 GLU HB2 . . . . . . . . . rr_1aot 1 . 1 . 286 . 1 1 18 GLU HB3 H -36.882 12.011 7.881 . . . 1.0 . . . . . . . . . . . . F . 18 GLU HB3 . . . . . . . . . rr_1aot 1 . 1 . 287 . 1 1 18 GLU HG2 H -35.655 14.125 7.704 . . . 1.0 . . . . . . . . . . . . F . 18 GLU HG2 . . . . . . . . . rr_1aot 1 . 1 . 288 . 1 1 18 GLU HG3 H -34.268 13.283 7.012 . . . 1.0 . . . . . . . . . . . . F . 18 GLU HG3 . . . . . . . . . rr_1aot 1 . 1 . 289 . 1 1 18 GLU N N -35.368 13.032 9.937 . . . 1.0 . . . . . . . . . . . . F . 18 GLU N . . . . . . . . . rr_1aot 1 . 1 . 290 . 1 1 18 GLU O O -33.121 10.523 8.972 . . . 1.0 . . . . . . . . . . . . F . 18 GLU O . . . . . . . . . rr_1aot 1 . 1 . 291 . 1 1 18 GLU OE1 O -36.822 12.606 5.383 . . . 1.0 . . . . . . . . . . . . F . 18 GLU OE1 . . . . . . . . . rr_1aot 1 . 1 . 292 . 1 1 18 GLU OE2 O -35.569 14.310 4.978 . . . 1.0 . . . . . . . . . . . . F . 18 GLU OE2 . . . . . . . . . rr_1aot 1 . 1 . 293 . 1 1 19 ARG C C -30.723 12.586 9.807 . . . 1.0 . . . . . . . . . . . . F . 19 ARG C . . . . . . . . . rr_1aot 1 . 1 . 294 . 1 1 19 ARG CA C -31.438 12.552 8.453 . . . 1.0 . . . . . . . . . . . . F . 19 ARG CA . . . . . . . . . rr_1aot 1 . 1 . 295 . 1 1 19 ARG CB C -30.940 13.708 7.585 . . . 1.0 . . . . . . . . . . . . F . 19 ARG CB . . . . . . . . . rr_1aot 1 . 1 . 296 . 1 1 19 ARG CD C -28.519 13.768 6.971 . . . 1.0 . . . . . . . . . . . . F . 19 ARG CD . . . . . . . . . rr_1aot 1 . 1 . 297 . 1 1 19 ARG CG C -29.887 13.192 6.602 . . . 1.0 . . . . . . . . . . . . F . 19 ARG CG . . . . . . . . . rr_1aot 1 . 1 . 298 . 1 1 19 ARG CZ C -28.023 14.711 4.795 . . . 1.0 . . . . . . . . . . . . F . 19 ARG CZ . . . . . . . . . rr_1aot 1 . 1 . 299 . 1 1 19 ARG H H -33.335 13.567 8.609 . . . 1.0 . . . . . . . . . . . . F . 19 ARG H . . . . . . . . . rr_1aot 1 . 1 . 300 . 1 1 19 ARG HA H -31.228 11.615 7.959 . . . 1.0 . . . . . . . . . . . . F . 19 ARG HA . . . . . . . . . rr_1aot 1 . 1 . 301 . 1 1 19 ARG HB2 H -31.769 14.130 7.036 . . . 1.0 . . . . . . . . . . . . F . 19 ARG HB2 . . . . . . . . . rr_1aot 1 . 1 . 302 . 1 1 19 ARG HB3 H -30.502 14.469 8.214 . . . 1.0 . . . . . . . . . . . . F . 19 ARG HB3 . . . . . . . . . rr_1aot 1 . 1 . 303 . 1 1 19 ARG HD2 H -28.647 14.745 7.412 . . . 1.0 . . . . . . . . . . . . F . 19 ARG HD2 . . . . . . . . . rr_1aot 1 . 1 . 304 . 1 1 19 ARG HD3 H -28.032 13.114 7.679 . . . 1.0 . . . . . . . . . . . . F . 19 ARG HD3 . . . . . . . . . rr_1aot 1 . 1 . 305 . 1 1 19 ARG HE H -26.872 13.337 5.650 . . . 1.0 . . . . . . . . . . . . F . 19 ARG HE . . . . . . . . . rr_1aot 1 . 1 . 306 . 1 1 19 ARG HG2 H -29.849 12.113 6.649 . . . 1.0 . . . . . . . . . . . . F . 19 ARG HG2 . . . . . . . . . rr_1aot 1 . 1 . 307 . 1 1 19 ARG HG3 H -30.149 13.499 5.600 . . . 1.0 . . . . . . . . . . . . F . 19 ARG HG3 . . . . . . . . . rr_1aot 1 . 1 . 308 . 1 1 19 ARG HH11 H -29.294 15.745 5.946 . . . 1.0 . . . . . . . . . . . . F . 19 ARG HH11 . . . . . . . . . rr_1aot 1 . 1 . 309 . 1 1 19 ARG HH12 H -29.153 16.289 4.307 . . . 1.0 . . . . . . . . . . . . F . 19 ARG HH12 . . . . . . . . . rr_1aot 1 . 1 . 310 . 1 1 19 ARG HH21 H -26.832 13.870 3.423 . . . 1.0 . . . . . . . . . . . . F . 19 ARG HH21 . . . . . . . . . rr_1aot 1 . 1 . 311 . 1 1 19 ARG HH22 H -27.759 15.228 2.879 . . . 1.0 . . . . . . . . . . . . F . 19 ARG HH22 . . . . . . . . . rr_1aot 1 . 1 . 312 . 1 1 19 ARG N N -32.909 12.684 8.659 . . . 1.0 . . . . . . . . . . . . F . 19 ARG N . . . . . . . . . rr_1aot 1 . 1 . 313 . 1 1 19 ARG NE N -27.681 13.883 5.744 . . . 1.0 . . . . . . . . . . . . F . 19 ARG NE . . . . . . . . . rr_1aot 1 . 1 . 314 . 1 1 19 ARG NH1 N -28.891 15.655 5.035 . . . 1.0 . . . . . . . . . . . . F . 19 ARG NH1 . . . . . . . . . rr_1aot 1 . 1 . 315 . 1 1 19 ARG NH2 N -27.497 14.594 3.607 . . . 1.0 . . . . . . . . . . . . F . 19 ARG NH2 . . . . . . . . . rr_1aot 1 . 1 . 316 . 1 1 19 ARG O O -29.539 12.329 9.900 . . . 1.0 . . . . . . . . . . . . F . 19 ARG O . . . . . . . . . rr_1aot 1 . 1 . 317 . 1 1 20 GLN C C -30.818 11.542 12.817 . . . 1.0 . . . . . . . . . . . . F . 20 GLN C . . . . . . . . . rr_1aot 1 . 1 . 318 . 1 1 20 GLN CA C -30.792 12.940 12.204 . . . 1.0 . . . . . . . . . . . . F . 20 GLN CA . . . . . . . . . rr_1aot 1 . 1 . 319 . 1 1 20 GLN CB C -31.557 13.914 13.107 . . . 1.0 . . . . . . . . . . . . F . 20 GLN CB . . . . . . . . . rr_1aot 1 . 1 . 320 . 1 1 20 GLN CD C -29.941 15.610 13.977 . . . 1.0 . . . . . . . . . . . . F . 20 GLN CD . . . . . . . . . rr_1aot 1 . 1 . 321 . 1 1 20 GLN CG C -31.004 15.328 12.914 . . . 1.0 . . . . . . . . . . . . F . 20 GLN CG . . . . . . . . . rr_1aot 1 . 1 . 322 . 1 1 20 GLN H H -32.387 13.086 10.762 . . . 1.0 . . . . . . . . . . . . F . 20 GLN H . . . . . . . . . rr_1aot 1 . 1 . 323 . 1 1 20 GLN HA H -29.768 13.270 12.103 . . . 1.0 . . . . . . . . . . . . F . 20 GLN HA . . . . . . . . . rr_1aot 1 . 1 . 324 . 1 1 20 GLN HB2 H -32.605 13.899 12.848 . . . 1.0 . . . . . . . . . . . . F . 20 GLN HB2 . . . . . . . . . rr_1aot 1 . 1 . 325 . 1 1 20 GLN HB3 H -31.437 13.621 14.140 . . . 1.0 . . . . . . . . . . . . F . 20 GLN HB3 . . . . . . . . . rr_1aot 1 . 1 . 326 . 1 1 20 GLN HE21 H -28.824 16.722 12.769 . . . 1.0 . . . . . . . . . . . . F . 20 GLN HE21 . . . . . . . . . rr_1aot 1 . 1 . 327 . 1 1 20 GLN HE22 H -28.225 16.539 14.346 . . . 1.0 . . . . . . . . . . . . F . 20 GLN HE22 . . . . . . . . . rr_1aot 1 . 1 . 328 . 1 1 20 GLN HG2 H -30.562 15.411 11.932 . . . 1.0 . . . . . . . . . . . . F . 20 GLN HG2 . . . . . . . . . rr_1aot 1 . 1 . 329 . 1 1 20 GLN HG3 H -31.807 16.045 13.009 . . . 1.0 . . . . . . . . . . . . F . 20 GLN HG3 . . . . . . . . . rr_1aot 1 . 1 . 330 . 1 1 20 GLN N N -31.433 12.893 10.858 . . . 1.0 . . . . . . . . . . . . F . 20 GLN N . . . . . . . . . rr_1aot 1 . 1 . 331 . 1 1 20 GLN NE2 N -28.911 16.352 13.672 . . . 1.0 . . . . . . . . . . . . F . 20 GLN NE2 . . . . . . . . . rr_1aot 1 . 1 . 332 . 1 1 20 GLN O O -29.969 11.182 13.608 . . . 1.0 . . . . . . . . . . . . F . 20 GLN O . . . . . . . . . rr_1aot 1 . 1 . 333 . 1 1 20 GLN OE1 O -30.048 15.152 15.097 . . . 1.0 . . . . . . . . . . . . F . 20 GLN OE1 . . . . . . . . . rr_1aot 1 . 1 . 334 . 1 1 21 LEU C C -31.107 8.420 12.074 . . . 1.0 . . . . . . . . . . . . F . 21 LEU C . . . . . . . . . rr_1aot 1 . 1 . 335 . 1 1 21 LEU CA C -31.867 9.370 12.998 . . . 1.0 . . . . . . . . . . . . F . 21 LEU CA . . . . . . . . . rr_1aot 1 . 1 . 336 . 1 1 21 LEU CB C -33.333 8.944 13.083 . . . 1.0 . . . . . . . . . . . . F . 21 LEU CB . . . . . . . . . rr_1aot 1 . 1 . 337 . 1 1 21 LEU CD1 C -33.314 10.134 15.280 . . . 1.0 . . . . . . . . . . . . F . 21 LEU CD1 . . . . . . . . . rr_1aot 1 . 1 . 338 . 1 1 21 LEU CD2 C -35.281 8.737 14.634 . . . 1.0 . . . . . . . . . . . . F . 21 LEU CD2 . . . . . . . . . rr_1aot 1 . 1 . 339 . 1 1 21 LEU CG C -33.758 8.865 14.551 . . . 1.0 . . . . . . . . . . . . F . 21 LEU CG . . . . . . . . . rr_1aot 1 . 1 . 340 . 1 1 21 LEU H H -32.454 11.060 11.805 . . . 1.0 . . . . . . . . . . . . F . 21 LEU H . . . . . . . . . rr_1aot 1 . 1 . 341 . 1 1 21 LEU HA H -31.425 9.346 13.981 . . . 1.0 . . . . . . . . . . . . F . 21 LEU HA . . . . . . . . . rr_1aot 1 . 1 . 342 . 1 1 21 LEU HB2 H -33.948 9.667 12.569 . . . 1.0 . . . . . . . . . . . . F . 21 LEU HB2 . . . . . . . . . rr_1aot 1 . 1 . 343 . 1 1 21 LEU HB3 H -33.453 7.976 12.621 . . . 1.0 . . . . . . . . . . . . F . 21 LEU HB3 . . . . . . . . . rr_1aot 1 . 1 . 344 . 1 1 21 LEU HD11 H -32.900 10.833 14.568 . . . 1.0 . . . . . . . . . . . . F . 21 LEU HD11 . . . . . . . . . rr_1aot 1 . 1 . 345 . 1 1 21 LEU HD12 H -34.164 10.582 15.772 . . . 1.0 . . . . . . . . . . . . F . 21 LEU HD12 . . . . . . . . . rr_1aot 1 . 1 . 346 . 1 1 21 LEU HD13 H -32.563 9.884 16.015 . . . 1.0 . . . . . . . . . . . . F . 21 LEU HD13 . . . . . . . . . rr_1aot 1 . 1 . 347 . 1 1 21 LEU HD21 H -35.626 8.049 13.876 . . . 1.0 . . . . . . . . . . . . F . 21 LEU HD21 . . . . . . . . . rr_1aot 1 . 1 . 348 . 1 1 21 LEU HD22 H -35.558 8.366 15.609 . . . 1.0 . . . . . . . . . . . . F . 21 LEU HD22 . . . . . . . . . rr_1aot 1 . 1 . 349 . 1 1 21 LEU HD23 H -35.733 9.704 14.474 . . . 1.0 . . . . . . . . . . . . F . 21 LEU HD23 . . . . . . . . . rr_1aot 1 . 1 . 350 . 1 1 21 LEU HG H -33.298 8.004 15.014 . . . 1.0 . . . . . . . . . . . . F . 21 LEU HG . . . . . . . . . rr_1aot 1 . 1 . 351 . 1 1 21 LEU N N -31.785 10.749 12.449 . . . 1.0 . . . . . . . . . . . . F . 21 LEU N . . . . . . . . . rr_1aot 1 . 1 . 352 . 1 1 21 LEU O O -30.337 7.590 12.514 . . . 1.0 . . . . . . . . . . . . F . 21 LEU O . . . . . . . . . rr_1aot 1 . 1 . 353 . 1 1 22 LEU C C -29.127 8.035 9.777 . . . 1.0 . . . . . . . . . . . . F . 22 LEU C . . . . . . . . . rr_1aot 1 . 1 . 354 . 1 1 22 LEU CA C -30.608 7.650 9.834 . . . 1.0 . . . . . . . . . . . . F . 22 LEU CA . . . . . . . . . rr_1aot 1 . 1 . 355 . 1 1 22 LEU CB C -31.230 7.798 8.443 . . . 1.0 . . . . . . . . . . . . F . 22 LEU CB . . . . . . . . . rr_1aot 1 . 1 . 356 . 1 1 22 LEU CD1 C -33.306 7.360 7.122 . . . 1.0 . . . . . . . . . . . . F . 22 LEU CD1 . . . . . . . . . rr_1aot 1 . 1 . 357 . 1 1 22 LEU CD2 C -33.031 6.338 9.385 . . . 1.0 . . . . . . . . . . . . F . 22 LEU CD2 . . . . . . . . . rr_1aot 1 . 1 . 358 . 1 1 22 LEU CG C -32.742 7.573 8.528 . . . 1.0 . . . . . . . . . . . . F . 22 LEU CG . . . . . . . . . rr_1aot 1 . 1 . 359 . 1 1 22 LEU H H -31.943 9.218 10.464 . . . 1.0 . . . . . . . . . . . . F . 22 LEU H . . . . . . . . . rr_1aot 1 . 1 . 360 . 1 1 22 LEU HA H -30.700 6.625 10.161 . . . 1.0 . . . . . . . . . . . . F . 22 LEU HA . . . . . . . . . rr_1aot 1 . 1 . 361 . 1 1 22 LEU HB2 H -31.035 8.792 8.066 . . . 1.0 . . . . . . . . . . . . F . 22 LEU HB2 . . . . . . . . . rr_1aot 1 . 1 . 362 . 1 1 22 LEU HB3 H -30.795 7.069 7.775 . . . 1.0 . . . . . . . . . . . . F . 22 LEU HB3 . . . . . . . . . rr_1aot 1 . 1 . 363 . 1 1 22 LEU HD11 H -32.895 8.102 6.453 . . . 1.0 . . . . . . . . . . . . F . 22 LEU HD11 . . . . . . . . . rr_1aot 1 . 1 . 364 . 1 1 22 LEU HD12 H -33.039 6.374 6.772 . . . 1.0 . . . . . . . . . . . . F . 22 LEU HD12 . . . . . . . . . rr_1aot 1 . 1 . 365 . 1 1 22 LEU HD13 H -34.381 7.454 7.147 . . . 1.0 . . . . . . . . . . . . F . 22 LEU HD13 . . . . . . . . . rr_1aot 1 . 1 . 366 . 1 1 22 LEU HD21 H -32.239 5.617 9.254 . . . 1.0 . . . . . . . . . . . . F . 22 LEU HD21 . . . . . . . . . rr_1aot 1 . 1 . 367 . 1 1 22 LEU HD22 H -33.086 6.628 10.424 . . . 1.0 . . . . . . . . . . . . F . 22 LEU HD22 . . . . . . . . . rr_1aot 1 . 1 . 368 . 1 1 22 LEU HD23 H -33.971 5.901 9.082 . . . 1.0 . . . . . . . . . . . . F . 22 LEU HD23 . . . . . . . . . rr_1aot 1 . 1 . 369 . 1 1 22 LEU HG H -33.210 8.436 8.976 . . . 1.0 . . . . . . . . . . . . F . 22 LEU HG . . . . . . . . . rr_1aot 1 . 1 . 370 . 1 1 22 LEU N N -31.318 8.540 10.794 . . . 1.0 . . . . . . . . . . . . F . 22 LEU N . . . . . . . . . rr_1aot 1 . 1 . 371 . 1 1 22 LEU O O -28.260 7.185 9.727 . . . 1.0 . . . . . . . . . . . . F . 22 LEU O . . . . . . . . . rr_1aot 1 . 1 . 372 . 1 1 23 SER C C -26.769 9.565 11.118 . . . 1.0 . . . . . . . . . . . . F . 23 SER C . . . . . . . . . rr_1aot 1 . 1 . 373 . 1 1 23 SER CA C -27.398 9.730 9.733 . . . 1.0 . . . . . . . . . . . . F . 23 SER CA . . . . . . . . . rr_1aot 1 . 1 . 374 . 1 1 23 SER CB C -27.314 11.196 9.305 . . . 1.0 . . . . . . . . . . . . F . 23 SER CB . . . . . . . . . rr_1aot 1 . 1 . 375 . 1 1 23 SER H H -29.538 9.982 9.827 . . . 1.0 . . . . . . . . . . . . F . 23 SER H . . . . . . . . . rr_1aot 1 . 1 . 376 . 1 1 23 SER HA H -26.867 9.115 9.022 . . . 1.0 . . . . . . . . . . . . F . 23 SER HA . . . . . . . . . rr_1aot 1 . 1 . 377 . 1 1 23 SER HB2 H -28.066 11.397 8.557 . . . 1.0 . . . . . . . . . . . . F . 23 SER HB2 . . . . . . . . . rr_1aot 1 . 1 . 378 . 1 1 23 SER HB3 H -27.479 11.832 10.162 . . . 1.0 . . . . . . . . . . . . F . 23 SER HB3 . . . . . . . . . rr_1aot 1 . 1 . 379 . 1 1 23 SER HG H -26.086 12.253 8.229 . . . 1.0 . . . . . . . . . . . . F . 23 SER HG . . . . . . . . . rr_1aot 1 . 1 . 380 . 1 1 23 SER N N -28.826 9.307 9.786 . . . 1.0 . . . . . . . . . . . . F . 23 SER N . . . . . . . . . rr_1aot 1 . 1 . 381 . 1 1 23 SER O O -26.611 10.518 11.856 . . . 1.0 . . . . . . . . . . . . F . 23 SER O . . . . . . . . . rr_1aot 1 . 1 . 382 . 1 1 23 SER OG O -26.027 11.457 8.764 . . . 1.0 . . . . . . . . . . . . F . 23 SER OG . . . . . . . . . rr_1aot 1 . 1 . 383 . 1 1 24 PHE C C -26.745 8.626 13.905 . . . 1.0 . . . . . . . . . . . . F . 24 PHE C . . . . . . . . . rr_1aot 1 . 1 . 384 . 1 1 24 PHE CA C -25.791 8.138 12.814 . . . 1.0 . . . . . . . . . . . . F . 24 PHE CA . . . . . . . . . rr_1aot 1 . 1 . 385 . 1 1 24 PHE CB C -24.473 8.911 12.905 . . . 1.0 . . . . . . . . . . . . F . 24 PHE CB . . . . . . . . . rr_1aot 1 . 1 . 386 . 1 1 24 PHE CD1 C -23.430 6.879 13.974 . . . 1.0 . . . . . . . . . . . . F . 24 PHE CD1 . . . . . . . . . rr_1aot 1 . 1 . 387 . 1 1 24 PHE CD2 C -22.913 9.069 14.879 . . . 1.0 . . . . . . . . . . . . F . 24 PHE CD2 . . . . . . . . . rr_1aot 1 . 1 . 388 . 1 1 24 PHE CE1 C -22.606 6.287 14.938 . . . 1.0 . . . . . . . . . . . . F . 24 PHE CE1 . . . . . . . . . rr_1aot 1 . 1 . 389 . 1 1 24 PHE CE2 C -22.089 8.476 15.843 . . . 1.0 . . . . . . . . . . . . F . 24 PHE CE2 . . . . . . . . . rr_1aot 1 . 1 . 390 . 1 1 24 PHE CG C -23.584 8.271 13.945 . . . 1.0 . . . . . . . . . . . . F . 24 PHE CG . . . . . . . . . rr_1aot 1 . 1 . 391 . 1 1 24 PHE CZ C -21.935 7.085 15.872 . . . 1.0 . . . . . . . . . . . . F . 24 PHE CZ . . . . . . . . . rr_1aot 1 . 1 . 392 . 1 1 24 PHE H H -26.545 7.609 10.867 . . . 1.0 . . . . . . . . . . . . F . 24 PHE H . . . . . . . . . rr_1aot 1 . 1 . 393 . 1 1 24 PHE HA H -25.600 7.084 12.949 . . . 1.0 . . . . . . . . . . . . F . 24 PHE HA . . . . . . . . . rr_1aot 1 . 1 . 394 . 1 1 24 PHE HB2 H -23.977 8.890 11.946 . . . 1.0 . . . . . . . . . . . . F . 24 PHE HB2 . . . . . . . . . rr_1aot 1 . 1 . 395 . 1 1 24 PHE HB3 H -24.675 9.934 13.184 . . . 1.0 . . . . . . . . . . . . F . 24 PHE HB3 . . . . . . . . . rr_1aot 1 . 1 . 396 . 1 1 24 PHE HD1 H -23.947 6.263 13.254 . . . 1.0 . . . . . . . . . . . . F . 24 PHE HD1 . . . . . . . . . rr_1aot 1 . 1 . 397 . 1 1 24 PHE HD2 H -23.032 10.142 14.856 . . . 1.0 . . . . . . . . . . . . F . 24 PHE HD2 . . . . . . . . . rr_1aot 1 . 1 . 398 . 1 1 24 PHE HE1 H -22.487 5.213 14.961 . . . 1.0 . . . . . . . . . . . . F . 24 PHE HE1 . . . . . . . . . rr_1aot 1 . 1 . 399 . 1 1 24 PHE HE2 H -21.571 9.092 16.563 . . . 1.0 . . . . . . . . . . . . F . 24 PHE HE2 . . . . . . . . . rr_1aot 1 . 1 . 400 . 1 1 24 PHE HZ H -21.299 6.628 16.616 . . . 1.0 . . . . . . . . . . . . F . 24 PHE HZ . . . . . . . . . rr_1aot 1 . 1 . 401 . 1 1 24 PHE N N -26.409 8.363 11.477 . . . 1.0 . . . . . . . . . . . . F . 24 PHE N . . . . . . . . . rr_1aot 1 . 1 . 402 . 1 1 24 PHE O O -26.975 9.810 14.058 . . . 1.0 . . . . . . . . . . . . F . 24 PHE O . . . . . . . . . rr_1aot 1 . 1 . 403 . 1 1 25 GLY C C -28.705 6.903 16.519 . . . 1.0 . . . . . . . . . . . . F . 25 GLY C . . . . . . . . . rr_1aot 1 . 1 . 404 . 1 1 25 GLY CA C -28.242 8.137 15.745 . . . 1.0 . . . . . . . . . . . . F . 25 GLY CA . . . . . . . . . rr_1aot 1 . 1 . 405 . 1 1 25 GLY H H -27.105 6.775 14.525 . . . 1.0 . . . . . . . . . . . . F . 25 GLY H . . . . . . . . . rr_1aot 1 . 1 . 406 . 1 1 25 GLY HA2 H -27.742 8.816 16.417 . . . 1.0 . . . . . . . . . . . . F . 25 GLY HA2 . . . . . . . . . rr_1aot 1 . 1 . 407 . 1 1 25 GLY HA3 H -29.099 8.630 15.308 . . . 1.0 . . . . . . . . . . . . F . 25 GLY HA3 . . . . . . . . . rr_1aot 1 . 1 . 408 . 1 1 25 GLY N N -27.303 7.724 14.665 . . . 1.0 . . . . . . . . . . . . F . 25 GLY N . . . . . . . . . rr_1aot 1 . 1 . 409 . 1 1 25 GLY O O -28.197 6.594 17.578 . . . 1.0 . . . . . . . . . . . . F . 25 GLY O . . . . . . . . . rr_1aot 1 . 1 . 410 . 1 1 26 ASN C C -30.883 4.068 15.700 . . . 1.0 . . . . . . . . . . . . F . 26 ASN C . . . . . . . . . rr_1aot 1 . 1 . 411 . 1 1 26 ASN CA C -30.165 4.980 16.700 . . . 1.0 . . . . . . . . . . . . F . 26 ASN CA . . . . . . . . . rr_1aot 1 . 1 . 412 . 1 1 26 ASN CB C -31.141 5.394 17.802 . . . 1.0 . . . . . . . . . . . . F . 26 ASN CB . . . . . . . . . rr_1aot 1 . 1 . 413 . 1 1 26 ASN CG C -30.441 5.313 19.160 . . . 1.0 . . . . . . . . . . . . F . 26 ASN CG . . . . . . . . . rr_1aot 1 . 1 . 414 . 1 1 26 ASN H H -30.060 6.464 15.141 . . . 1.0 . . . . . . . . . . . . F . 26 ASN H . . . . . . . . . rr_1aot 1 . 1 . 415 . 1 1 26 ASN HA H -29.332 4.449 17.137 . . . 1.0 . . . . . . . . . . . . F . 26 ASN HA . . . . . . . . . rr_1aot 1 . 1 . 416 . 1 1 26 ASN HB2 H -31.472 6.407 17.628 . . . 1.0 . . . . . . . . . . . . F . 26 ASN HB2 . . . . . . . . . rr_1aot 1 . 1 . 417 . 1 1 26 ASN HB3 H -31.993 4.731 17.796 . . . 1.0 . . . . . . . . . . . . F . 26 ASN HB3 . . . . . . . . . rr_1aot 1 . 1 . 418 . 1 1 26 ASN HD21 H -29.650 7.128 19.020 . . . 1.0 . . . . . . . . . . . . F . 26 ASN HD21 . . . . . . . . . rr_1aot 1 . 1 . 419 . 1 1 26 ASN HD22 H -29.279 6.283 20.445 . . . 1.0 . . . . . . . . . . . . F . 26 ASN HD22 . . . . . . . . . rr_1aot 1 . 1 . 420 . 1 1 26 ASN N N -29.666 6.195 15.996 . . . 1.0 . . . . . . . . . . . . F . 26 ASN N . . . . . . . . . rr_1aot 1 . 1 . 421 . 1 1 26 ASN ND2 N -29.731 6.325 19.576 . . . 1.0 . . . . . . . . . . . . F . 26 ASN ND2 . . . . . . . . . rr_1aot 1 . 1 . 422 . 1 1 26 ASN O O -31.138 4.460 14.579 . . . 1.0 . . . . . . . . . . . . F . 26 ASN O . . . . . . . . . rr_1aot 1 . 1 . 423 . 1 1 26 ASN OD1 O -30.542 4.318 19.850 . . . 1.0 . . . . . . . . . . . . F . 26 ASN OD1 . . . . . . . . . rr_1aot 1 . 1 . 424 . 1 1 27 PRO C C -33.380 2.189 15.239 . . . 1.0 . . . . . . . . . . . . F . 27 PRO C . . . . . . . . . rr_1aot 1 . 1 . 425 . 1 1 27 PRO CA C -31.882 1.875 15.313 . . . 1.0 . . . . . . . . . . . . F . 27 PRO CA . . . . . . . . . rr_1aot 1 . 1 . 426 . 1 1 27 PRO CB C -31.635 0.559 16.056 . . . 1.0 . . . . . . . . . . . . F . 27 PRO CB . . . . . . . . . rr_1aot 1 . 1 . 427 . 1 1 27 PRO CD C -30.871 2.413 17.510 . . . 1.0 . . . . . . . . . . . . F . 27 PRO CD . . . . . . . . . rr_1aot 1 . 1 . 428 . 1 1 27 PRO CG C -31.321 0.940 17.523 . . . 1.0 . . . . . . . . . . . . F . 27 PRO CG . . . . . . . . . rr_1aot 1 . 1 . 429 . 1 1 27 PRO HA H -31.451 1.829 14.326 . . . 1.0 . . . . . . . . . . . . F . 27 PRO HA . . . . . . . . . rr_1aot 1 . 1 . 430 . 1 1 27 PRO HB2 H -32.518 -0.061 16.015 . . . 1.0 . . . . . . . . . . . . F . 27 PRO HB2 . . . . . . . . . rr_1aot 1 . 1 . 431 . 1 1 27 PRO HB3 H -30.795 0.039 15.619 . . . 1.0 . . . . . . . . . . . . F . 27 PRO HB3 . . . . . . . . . rr_1aot 1 . 1 . 432 . 1 1 27 PRO HD2 H -31.425 2.984 18.240 . . . 1.0 . . . . . . . . . . . . F . 27 PRO HD2 . . . . . . . . . rr_1aot 1 . 1 . 433 . 1 1 27 PRO HD3 H -29.810 2.487 17.696 . . . 1.0 . . . . . . . . . . . . F . 27 PRO HD3 . . . . . . . . . rr_1aot 1 . 1 . 434 . 1 1 27 PRO HG2 H -32.205 0.829 18.132 . . . 1.0 . . . . . . . . . . . . F . 27 PRO HG2 . . . . . . . . . rr_1aot 1 . 1 . 435 . 1 1 27 PRO HG3 H -30.527 0.314 17.905 . . . 1.0 . . . . . . . . . . . . F . 27 PRO HG3 . . . . . . . . . rr_1aot 1 . 1 . 436 . 1 1 27 PRO N N -31.189 2.875 16.142 . . . 1.0 . . . . . . . . . . . . F . 27 PRO N . . . . . . . . . rr_1aot 1 . 1 . 437 . 1 1 27 PRO O O -33.802 3.303 15.475 . . . 1.0 . . . . . . . . . . . . F . 27 PRO O . . . . . . . . . rr_1aot 1 . 1 . 438 . 1 1 28 ARG C C -36.245 1.503 16.236 . . . 1.0 . . . . . . . . . . . . F . 28 ARG C . . . . . . . . . rr_1aot 1 . 1 . 439 . 1 1 28 ARG CA C -35.652 1.459 14.827 . . . 1.0 . . . . . . . . . . . . F . 28 ARG CA . . . . . . . . . rr_1aot 1 . 1 . 440 . 1 1 28 ARG CB C -36.311 0.331 14.030 . . . 1.0 . . . . . . . . . . . . F . 28 ARG CB . . . . . . . . . rr_1aot 1 . 1 . 441 . 1 1 28 ARG CD C -36.781 -2.122 13.981 . . . 1.0 . . . . . . . . . . . . F . 28 ARG CD . . . . . . . . . rr_1aot 1 . 1 . 442 . 1 1 28 ARG CG C -36.220 -0.974 14.822 . . . 1.0 . . . . . . . . . . . . F . 28 ARG CG . . . . . . . . . rr_1aot 1 . 1 . 443 . 1 1 28 ARG CZ C -37.055 -4.471 14.509 . . . 1.0 . . . . . . . . . . . . F . 28 ARG CZ . . . . . . . . . rr_1aot 1 . 1 . 444 . 1 1 28 ARG H H -33.825 0.322 14.728 . . . 1.0 . . . . . . . . . . . . F . 28 ARG H . . . . . . . . . rr_1aot 1 . 1 . 445 . 1 1 28 ARG HA H -35.830 2.402 14.331 . . . 1.0 . . . . . . . . . . . . F . 28 ARG HA . . . . . . . . . rr_1aot 1 . 1 . 446 . 1 1 28 ARG HB2 H -37.348 0.574 13.853 . . . 1.0 . . . . . . . . . . . . F . 28 ARG HB2 . . . . . . . . . rr_1aot 1 . 1 . 447 . 1 1 28 ARG HB3 H -35.802 0.215 13.084 . . . 1.0 . . . . . . . . . . . . F . 28 ARG HB3 . . . . . . . . . rr_1aot 1 . 1 . 448 . 1 1 28 ARG HD2 H -37.860 -2.107 14.026 . . . 1.0 . . . . . . . . . . . . F . 28 ARG HD2 . . . . . . . . . rr_1aot 1 . 1 . 449 . 1 1 28 ARG HD3 H -36.462 -2.007 12.956 . . . 1.0 . . . . . . . . . . . . F . 28 ARG HD3 . . . . . . . . . rr_1aot 1 . 1 . 450 . 1 1 28 ARG HE H -35.370 -3.485 14.871 . . . 1.0 . . . . . . . . . . . . F . 28 ARG HE . . . . . . . . . rr_1aot 1 . 1 . 451 . 1 1 28 ARG HG2 H -35.187 -1.177 15.064 . . . 1.0 . . . . . . . . . . . . F . 28 ARG HG2 . . . . . . . . . rr_1aot 1 . 1 . 452 . 1 1 28 ARG HG3 H -36.792 -0.882 15.734 . . . 1.0 . . . . . . . . . . . . F . 28 ARG HG3 . . . . . . . . . rr_1aot 1 . 1 . 453 . 1 1 28 ARG HH11 H -37.695 -4.177 12.634 . . . 1.0 . . . . . . . . . . . . F . 28 ARG HH11 . . . . . . . . . rr_1aot 1 . 1 . 454 . 1 1 28 ARG HH12 H -38.346 -5.565 13.440 . . . 1.0 . . . . . . . . . . . . F . 28 ARG HH12 . . . . . . . . . rr_1aot 1 . 1 . 455 . 1 1 28 ARG HH21 H -36.596 -5.010 16.381 . . . 1.0 . . . . . . . . . . . . F . 28 ARG HH21 . . . . . . . . . rr_1aot 1 . 1 . 456 . 1 1 28 ARG HH22 H -37.724 -6.036 15.561 . . . 1.0 . . . . . . . . . . . . F . 28 ARG HH22 . . . . . . . . . rr_1aot 1 . 1 . 457 . 1 1 28 ARG N N -34.185 1.215 14.914 . . . 1.0 . . . . . . . . . . . . F . 28 ARG N . . . . . . . . . rr_1aot 1 . 1 . 458 . 1 1 28 ARG NE N -36.281 -3.420 14.515 . . . 1.0 . . . . . . . . . . . . F . 28 ARG NE . . . . . . . . . rr_1aot 1 . 1 . 459 . 1 1 28 ARG NH1 N -37.753 -4.760 13.445 . . . 1.0 . . . . . . . . . . . . F . 28 ARG NH1 . . . . . . . . . rr_1aot 1 . 1 . 460 . 1 1 28 ARG NH2 N -37.131 -5.232 15.566 . . . 1.0 . . . . . . . . . . . . F . 28 ARG NH2 . . . . . . . . . rr_1aot 1 . 1 . 461 . 1 1 28 ARG O O -35.606 1.132 17.200 . . . 1.0 . . . . . . . . . . . . F . 28 ARG O . . . . . . . . . rr_1aot 1 . 1 . 462 . 1 1 29 GLY C C -37.617 3.292 18.433 . . . 1.0 . . . . . . . . . . . . F . 29 GLY C . . . . . . . . . rr_1aot 1 . 1 . 463 . 1 1 29 GLY CA C -38.090 2.025 17.715 . . . 1.0 . . . . . . . . . . . . F . 29 GLY CA . . . . . . . . . rr_1aot 1 . 1 . 464 . 1 1 29 GLY H H -37.962 2.255 15.577 . . . 1.0 . . . . . . . . . . . . F . 29 GLY H . . . . . . . . . rr_1aot 1 . 1 . 465 . 1 1 29 GLY HA2 H -39.165 2.050 17.611 . . . 1.0 . . . . . . . . . . . . F . 29 GLY HA2 . . . . . . . . . rr_1aot 1 . 1 . 466 . 1 1 29 GLY HA3 H -37.803 1.157 18.290 . . . 1.0 . . . . . . . . . . . . F . 29 GLY HA3 . . . . . . . . . rr_1aot 1 . 1 . 467 . 1 1 29 GLY N N -37.462 1.957 16.366 . . . 1.0 . . . . . . . . . . . . F . 29 GLY N . . . . . . . . . rr_1aot 1 . 1 . 468 . 1 1 29 GLY O O -37.896 3.498 19.597 . . . 1.0 . . . . . . . . . . . . F . 29 GLY O . . . . . . . . . rr_1aot 1 . 1 . 469 . 1 1 30 THR C C -37.324 6.556 17.984 . . . 1.0 . . . . . . . . . . . . F . 30 THR C . . . . . . . . . rr_1aot 1 . 1 . 470 . 1 1 30 THR CA C -36.414 5.396 18.388 . . . 1.0 . . . . . . . . . . . . F . 30 THR CA . . . . . . . . . rr_1aot 1 . 1 . 471 . 1 1 30 THR CB C -34.981 5.678 17.929 . . . 1.0 . . . . . . . . . . . . F . 30 THR CB . . . . . . . . . rr_1aot 1 . 1 . 472 . 1 1 30 THR CG2 C -34.450 6.923 18.641 . . . 1.0 . . . . . . . . . . . . F . 30 THR CG2 . . . . . . . . . rr_1aot 1 . 1 . 473 . 1 1 30 THR H H -36.690 3.957 16.807 . . . 1.0 . . . . . . . . . . . . F . 30 THR H . . . . . . . . . rr_1aot 1 . 1 . 474 . 1 1 30 THR HA H -36.433 5.281 19.462 . . . 1.0 . . . . . . . . . . . . F . 30 THR HA . . . . . . . . . rr_1aot 1 . 1 . 475 . 1 1 30 THR HB H -34.971 5.848 16.863 . . . 1.0 . . . . . . . . . . . . F . 30 THR HB . . . . . . . . . rr_1aot 1 . 1 . 476 . 1 1 30 THR HG1 H -34.624 4.006 18.867 . . . 1.0 . . . . . . . . . . . . F . 30 THR HG1 . . . . . . . . . rr_1aot 1 . 1 . 477 . 1 1 30 THR HG21 H -35.274 7.580 18.880 . . . 1.0 . . . . . . . . . . . . F . 30 THR HG21 . . . . . . . . . rr_1aot 1 . 1 . 478 . 1 1 30 THR HG22 H -33.948 6.630 19.551 . . . 1.0 . . . . . . . . . . . . F . 30 THR HG22 . . . . . . . . . rr_1aot 1 . 1 . 479 . 1 1 30 THR HG23 H -33.754 7.438 17.996 . . . 1.0 . . . . . . . . . . . . F . 30 THR HG23 . . . . . . . . . rr_1aot 1 . 1 . 480 . 1 1 30 THR N N -36.903 4.142 17.746 . . . 1.0 . . . . . . . . . . . . F . 30 THR N . . . . . . . . . rr_1aot 1 . 1 . 481 . 1 1 30 THR O O -37.313 7.004 16.855 . . . 1.0 . . . . . . . . . . . . F . 30 THR O . . . . . . . . . rr_1aot 1 . 1 . 482 . 1 1 30 THR OG1 O -34.155 4.562 18.239 . . . 1.0 . . . . . . . . . . . . F . 30 THR OG1 . . . . . . . . . rr_1aot 1 . 1 . 483 . 1 1 31 PHE C C -38.577 9.445 19.247 . . . 1.0 . . . . . . . . . . . . F . 31 PHE C . . . . . . . . . rr_1aot 1 . 1 . 484 . 1 1 31 PHE CA C -39.046 8.157 18.561 . . . 1.0 . . . . . . . . . . . . F . 31 PHE CA . . . . . . . . . rr_1aot 1 . 1 . 485 . 1 1 31 PHE CB C -40.453 7.806 19.054 . . . 1.0 . . . . . . . . . . . . F . 31 PHE CB . . . . . . . . . rr_1aot 1 . 1 . 486 . 1 1 31 PHE CD1 C -40.396 5.623 17.782 . . . 1.0 . . . . . . . . . . . . F . 31 PHE CD1 . . . . . . . . . rr_1aot 1 . 1 . 487 . 1 1 31 PHE CD2 C -42.380 7.010 17.638 . . . 1.0 . . . . . . . . . . . . F . 31 PHE CD2 . . . . . . . . . rr_1aot 1 . 1 . 488 . 1 1 31 PHE CE1 C -40.993 4.681 16.936 . . . 1.0 . . . . . . . . . . . . F . 31 PHE CE1 . . . . . . . . . rr_1aot 1 . 1 . 489 . 1 1 31 PHE CE2 C -42.976 6.069 16.791 . . . 1.0 . . . . . . . . . . . . F . 31 PHE CE2 . . . . . . . . . rr_1aot 1 . 1 . 490 . 1 1 31 PHE CG C -41.089 6.789 18.134 . . . 1.0 . . . . . . . . . . . . F . 31 PHE CG . . . . . . . . . rr_1aot 1 . 1 . 491 . 1 1 31 PHE CZ C -42.283 4.904 16.440 . . . 1.0 . . . . . . . . . . . . F . 31 PHE CZ . . . . . . . . . rr_1aot 1 . 1 . 492 . 1 1 31 PHE H H -38.125 6.656 19.796 . . . 1.0 . . . . . . . . . . . . F . 31 PHE H . . . . . . . . . rr_1aot 1 . 1 . 493 . 1 1 31 PHE HA H -39.065 8.302 17.493 . . . 1.0 . . . . . . . . . . . . F . 31 PHE HA . . . . . . . . . rr_1aot 1 . 1 . 494 . 1 1 31 PHE HB2 H -40.387 7.393 20.048 . . . 1.0 . . . . . . . . . . . . F . 31 PHE HB2 . . . . . . . . . rr_1aot 1 . 1 . 495 . 1 1 31 PHE HB3 H -41.059 8.700 19.076 . . . 1.0 . . . . . . . . . . . . F . 31 PHE HB3 . . . . . . . . . rr_1aot 1 . 1 . 496 . 1 1 31 PHE HD1 H -39.402 5.449 18.163 . . . 1.0 . . . . . . . . . . . . F . 31 PHE HD1 . . . . . . . . . rr_1aot 1 . 1 . 497 . 1 1 31 PHE HD2 H -42.915 7.908 17.908 . . . 1.0 . . . . . . . . . . . . F . 31 PHE HD2 . . . . . . . . . rr_1aot 1 . 1 . 498 . 1 1 31 PHE HE1 H -40.459 3.783 16.665 . . . 1.0 . . . . . . . . . . . . F . 31 PHE HE1 . . . . . . . . . rr_1aot 1 . 1 . 499 . 1 1 31 PHE HE2 H -43.971 6.240 16.408 . . . 1.0 . . . . . . . . . . . . F . 31 PHE HE2 . . . . . . . . . rr_1aot 1 . 1 . 500 . 1 1 31 PHE HZ H -42.744 4.178 15.787 . . . 1.0 . . . . . . . . . . . . F . 31 PHE HZ . . . . . . . . . rr_1aot 1 . 1 . 501 . 1 1 31 PHE N N -38.123 7.038 18.895 . . . 1.0 . . . . . . . . . . . . F . 31 PHE N . . . . . . . . . rr_1aot 1 . 1 . 502 . 1 1 31 PHE O O -38.692 9.595 20.447 . . . 1.0 . . . . . . . . . . . . F . 31 PHE O . . . . . . . . . rr_1aot 1 . 1 . 503 . 1 1 32 LEU C C -38.714 12.704 18.978 . . . 1.0 . . . . . . . . . . . . F . 32 LEU C . . . . . . . . . rr_1aot 1 . 1 . 504 . 1 1 32 LEU CA C -37.600 11.661 19.108 . . . 1.0 . . . . . . . . . . . . F . 32 LEU CA . . . . . . . . . rr_1aot 1 . 1 . 505 . 1 1 32 LEU CB C -36.345 12.154 18.385 . . . 1.0 . . . . . . . . . . . . F . 32 LEU CB . . . . . . . . . rr_1aot 1 . 1 . 506 . 1 1 32 LEU CD1 C -37.186 14.054 17.003 . . . 1.0 . . . . . . . . . . . . F . 32 LEU CD1 . . . . . . . . . rr_1aot 1 . 1 . 507 . 1 1 32 LEU CD2 C -35.494 12.478 16.060 . . . 1.0 . . . . . . . . . . . . F . 32 LEU CD2 . . . . . . . . . rr_1aot 1 . 1 . 508 . 1 1 32 LEU CG C -36.716 12.599 16.971 . . . 1.0 . . . . . . . . . . . . F . 32 LEU CG . . . . . . . . . rr_1aot 1 . 1 . 509 . 1 1 32 LEU H H -37.983 10.248 17.528 . . . 1.0 . . . . . . . . . . . . F . 32 LEU H . . . . . . . . . rr_1aot 1 . 1 . 510 . 1 1 32 LEU HA H -37.377 11.501 20.153 . . . 1.0 . . . . . . . . . . . . F . 32 LEU HA . . . . . . . . . rr_1aot 1 . 1 . 511 . 1 1 32 LEU HB2 H -35.922 12.988 18.926 . . . 1.0 . . . . . . . . . . . . F . 32 LEU HB2 . . . . . . . . . rr_1aot 1 . 1 . 512 . 1 1 32 LEU HB3 H -35.622 11.354 18.333 . . . 1.0 . . . . . . . . . . . . F . 32 LEU HB3 . . . . . . . . . rr_1aot 1 . 1 . 513 . 1 1 32 LEU HD11 H -36.705 14.569 17.821 . . . 1.0 . . . . . . . . . . . . F . 32 LEU HD11 . . . . . . . . . rr_1aot 1 . 1 . 514 . 1 1 32 LEU HD12 H -36.928 14.536 16.072 . . . 1.0 . . . . . . . . . . . . F . 32 LEU HD12 . . . . . . . . . rr_1aot 1 . 1 . 515 . 1 1 32 LEU HD13 H -38.257 14.082 17.139 . . . 1.0 . . . . . . . . . . . . F . 32 LEU HD13 . . . . . . . . . rr_1aot 1 . 1 . 516 . 1 1 32 LEU HD21 H -34.620 12.262 16.657 . . . 1.0 . . . . . . . . . . . . F . 32 LEU HD21 . . . . . . . . . rr_1aot 1 . 1 . 517 . 1 1 32 LEU HD22 H -35.652 11.678 15.351 . . . 1.0 . . . . . . . . . . . . F . 32 LEU HD22 . . . . . . . . . rr_1aot 1 . 1 . 518 . 1 1 32 LEU HD23 H -35.347 13.406 15.528 . . . 1.0 . . . . . . . . . . . . F . 32 LEU HD23 . . . . . . . . . rr_1aot 1 . 1 . 519 . 1 1 32 LEU HG H -37.511 11.973 16.594 . . . 1.0 . . . . . . . . . . . . F . 32 LEU HG . . . . . . . . . rr_1aot 1 . 1 . 520 . 1 1 32 LEU N N -38.061 10.382 18.495 . . . 1.0 . . . . . . . . . . . . F . 32 LEU N . . . . . . . . . rr_1aot 1 . 1 . 521 . 1 1 32 LEU O O -39.804 12.399 18.546 . . . 1.0 . . . . . . . . . . . . F . 32 LEU O . . . . . . . . . rr_1aot 1 . 1 . 522 . 1 1 33 ILE C C -38.900 16.257 18.663 . . . 1.0 . . . . . . . . . . . . F . 33 ILE C . . . . . . . . . rr_1aot 1 . 1 . 523 . 1 1 33 ILE CA C -39.513 14.980 19.251 . . . 1.0 . . . . . . . . . . . . F . 33 ILE CA . . . . . . . . . rr_1aot 1 . 1 . 524 . 1 1 33 ILE CB C -40.093 15.250 20.656 . . . 1.0 . . . . . . . . . . . . F . 33 ILE CB . . . . . . . . . rr_1aot 1 . 1 . 525 . 1 1 33 ILE CD1 C -41.995 14.665 22.177 . . . 1.0 . . . . . . . . . . . . F . 33 ILE CD1 . . . . . . . . . rr_1aot 1 . 1 . 526 . 1 1 33 ILE CG1 C -41.197 14.229 20.945 . . . 1.0 . . . . . . . . . . . . F . 33 ILE CG1 . . . . . . . . . rr_1aot 1 . 1 . 527 . 1 1 33 ILE CG2 C -40.671 16.669 20.750 . . . 1.0 . . . . . . . . . . . . F . 33 ILE CG2 . . . . . . . . . rr_1aot 1 . 1 . 528 . 1 1 33 ILE H H -37.568 14.159 19.701 . . . 1.0 . . . . . . . . . . . . F . 33 ILE H . . . . . . . . . rr_1aot 1 . 1 . 529 . 1 1 33 ILE HA H -40.301 14.631 18.599 . . . 1.0 . . . . . . . . . . . . F . 33 ILE HA . . . . . . . . . rr_1aot 1 . 1 . 530 . 1 1 33 ILE HB H -39.314 15.141 21.390 . . . 1.0 . . . . . . . . . . . . F . 33 ILE HB . . . . . . . . . rr_1aot 1 . 1 . 531 . 1 1 33 ILE HD11 H -41.361 15.248 22.829 . . . 1.0 . . . . . . . . . . . . F . 33 ILE HD11 . . . . . . . . . rr_1aot 1 . 1 . 532 . 1 1 33 ILE HD12 H -42.839 15.263 21.866 . . . 1.0 . . . . . . . . . . . . F . 33 ILE HD12 . . . . . . . . . rr_1aot 1 . 1 . 533 . 1 1 33 ILE HD13 H -42.348 13.792 22.705 . . . 1.0 . . . . . . . . . . . . F . 33 ILE HD13 . . . . . . . . . rr_1aot 1 . 1 . 534 . 1 1 33 ILE HG12 H -41.857 14.162 20.093 . . . 1.0 . . . . . . . . . . . . F . 33 ILE HG12 . . . . . . . . . rr_1aot 1 . 1 . 535 . 1 1 33 ILE HG13 H -40.750 13.264 21.131 . . . 1.0 . . . . . . . . . . . . F . 33 ILE HG13 . . . . . . . . . rr_1aot 1 . 1 . 536 . 1 1 33 ILE HG21 H -39.907 17.389 20.496 . . . 1.0 . . . . . . . . . . . . F . 33 ILE HG21 . . . . . . . . . rr_1aot 1 . 1 . 537 . 1 1 33 ILE HG22 H -41.502 16.768 20.069 . . . 1.0 . . . . . . . . . . . . F . 33 ILE HG22 . . . . . . . . . rr_1aot 1 . 1 . 538 . 1 1 33 ILE HG23 H -41.012 16.850 21.758 . . . 1.0 . . . . . . . . . . . . F . 33 ILE HG23 . . . . . . . . . rr_1aot 1 . 1 . 539 . 1 1 33 ILE N N -38.455 13.930 19.351 . . . 1.0 . . . . . . . . . . . . F . 33 ILE N . . . . . . . . . rr_1aot 1 . 1 . 540 . 1 1 33 ILE O O -37.701 16.368 18.511 . . . 1.0 . . . . . . . . . . . . F . 33 ILE O . . . . . . . . . rr_1aot 1 . 1 . 541 . 1 1 34 ARG C C -40.346 19.406 17.393 . . . 1.0 . . . . . . . . . . . . F . 34 ARG C . . . . . . . . . rr_1aot 1 . 1 . 542 . 1 1 34 ARG CA C -39.180 18.483 17.750 . . . 1.0 . . . . . . . . . . . . F . 34 ARG CA . . . . . . . . . rr_1aot 1 . 1 . 543 . 1 1 34 ARG CB C -38.364 18.174 16.493 . . . 1.0 . . . . . . . . . . . . F . 34 ARG CB . . . . . . . . . rr_1aot 1 . 1 . 544 . 1 1 34 ARG CD C -38.800 17.118 14.273 . . . 1.0 . . . . . . . . . . . . F . 34 ARG CD . . . . . . . . . rr_1aot 1 . 1 . 545 . 1 1 34 ARG CG C -38.948 16.950 15.787 . . . 1.0 . . . . . . . . . . . . F . 34 ARG CG . . . . . . . . . rr_1aot 1 . 1 . 546 . 1 1 34 ARG CZ C -40.681 16.419 12.917 . . . 1.0 . . . . . . . . . . . . F . 34 ARG CZ . . . . . . . . . rr_1aot 1 . 1 . 547 . 1 1 34 ARG H H -40.679 17.107 18.453 . . . 1.0 . . . . . . . . . . . . F . 34 ARG H . . . . . . . . . rr_1aot 1 . 1 . 548 . 1 1 34 ARG HA H -38.548 18.969 18.479 . . . 1.0 . . . . . . . . . . . . F . 34 ARG HA . . . . . . . . . rr_1aot 1 . 1 . 549 . 1 1 34 ARG HB2 H -38.396 19.023 15.827 . . . 1.0 . . . . . . . . . . . . F . 34 ARG HB2 . . . . . . . . . rr_1aot 1 . 1 . 550 . 1 1 34 ARG HB3 H -37.339 17.974 16.771 . . . 1.0 . . . . . . . . . . . . F . 34 ARG HB3 . . . . . . . . . rr_1aot 1 . 1 . 551 . 1 1 34 ARG HD2 H -39.148 18.099 13.984 . . . 1.0 . . . . . . . . . . . . F . 34 ARG HD2 . . . . . . . . . rr_1aot 1 . 1 . 552 . 1 1 34 ARG HD3 H -37.761 17.011 13.999 . . . 1.0 . . . . . . . . . . . . F . 34 ARG HD3 . . . . . . . . . rr_1aot 1 . 1 . 553 . 1 1 34 ARG HE H -39.331 15.139 13.610 . . . 1.0 . . . . . . . . . . . . F . 34 ARG HE . . . . . . . . . rr_1aot 1 . 1 . 554 . 1 1 34 ARG HG2 H -38.418 16.064 16.104 . . . 1.0 . . . . . . . . . . . . F . 34 ARG HG2 . . . . . . . . . rr_1aot 1 . 1 . 555 . 1 1 34 ARG HG3 H -39.994 16.853 16.038 . . . 1.0 . . . . . . . . . . . . F . 34 ARG HG3 . . . . . . . . . rr_1aot 1 . 1 . 556 . 1 1 34 ARG HH11 H -41.054 18.024 14.054 . . . 1.0 . . . . . . . . . . . . F . 34 ARG HH11 . . . . . . . . . rr_1aot 1 . 1 . 557 . 1 1 34 ARG HH12 H -42.181 17.736 12.771 . . . 1.0 . . . . . . . . . . . . F . 34 ARG HH12 . . . . . . . . . rr_1aot 1 . 1 . 558 . 1 1 34 ARG HH21 H -40.556 14.895 11.625 . . . 1.0 . . . . . . . . . . . . F . 34 ARG HH21 . . . . . . . . . rr_1aot 1 . 1 . 559 . 1 1 34 ARG HH22 H -41.899 15.964 11.395 . . . 1.0 . . . . . . . . . . . . F . 34 ARG HH22 . . . . . . . . . rr_1aot 1 . 1 . 560 . 1 1 34 ARG N N -39.715 17.218 18.327 . . . 1.0 . . . . . . . . . . . . F . 34 ARG N . . . . . . . . . rr_1aot 1 . 1 . 561 . 1 1 34 ARG NE N -39.607 16.079 13.575 . . . 1.0 . . . . . . . . . . . . F . 34 ARG NE . . . . . . . . . rr_1aot 1 . 1 . 562 . 1 1 34 ARG NH1 N -41.358 17.476 13.275 . . . 1.0 . . . . . . . . . . . . F . 34 ARG NH1 . . . . . . . . . rr_1aot 1 . 1 . 563 . 1 1 34 ARG NH2 N -41.076 15.704 11.900 . . . 1.0 . . . . . . . . . . . . F . 34 ARG NH2 . . . . . . . . . rr_1aot 1 . 1 . 564 . 1 1 34 ARG O O -41.468 18.973 17.234 . . . 1.0 . . . . . . . . . . . . F . 34 ARG O . . . . . . . . . rr_1aot 1 . 1 . 565 . 1 1 35 GLU C C -41.619 21.469 15.492 . . . 1.0 . . . . . . . . . . . . F . 35 GLU C . . . . . . . . . rr_1aot 1 . 1 . 566 . 1 1 35 GLU CA C -41.195 21.624 16.952 . . . 1.0 . . . . . . . . . . . . F . 35 GLU CA . . . . . . . . . rr_1aot 1 . 1 . 567 . 1 1 35 GLU CB C -40.709 23.047 17.182 . . . 1.0 . . . . . . . . . . . . F . 35 GLU CB . . . . . . . . . rr_1aot 1 . 1 . 568 . 1 1 35 GLU CD C -40.763 24.934 18.815 . . . 1.0 . . . . . . . . . . . . F . 35 GLU CD . . . . . . . . . rr_1aot 1 . 1 . 569 . 1 1 35 GLU CG C -41.002 23.434 18.625 . . . 1.0 . . . . . . . . . . . . F . 35 GLU CG . . . . . . . . . rr_1aot 1 . 1 . 570 . 1 1 35 GLU H H -39.188 21.017 17.431 . . . 1.0 . . . . . . . . . . . . F . 35 GLU H . . . . . . . . . rr_1aot 1 . 1 . 571 . 1 1 35 GLU HA H -42.040 21.427 17.595 . . . 1.0 . . . . . . . . . . . . F . 35 GLU HA . . . . . . . . . rr_1aot 1 . 1 . 572 . 1 1 35 GLU HB2 H -39.649 23.102 17.000 . . . 1.0 . . . . . . . . . . . . F . 35 GLU HB2 . . . . . . . . . rr_1aot 1 . 1 . 573 . 1 1 35 GLU HB3 H -41.221 23.716 16.512 . . . 1.0 . . . . . . . . . . . . F . 35 GLU HB3 . . . . . . . . . rr_1aot 1 . 1 . 574 . 1 1 35 GLU HG2 H -42.032 23.198 18.853 . . . 1.0 . . . . . . . . . . . . F . 35 GLU HG2 . . . . . . . . . rr_1aot 1 . 1 . 575 . 1 1 35 GLU HG3 H -40.348 22.876 19.280 . . . 1.0 . . . . . . . . . . . . F . 35 GLU HG3 . . . . . . . . . rr_1aot 1 . 1 . 576 . 1 1 35 GLU N N -40.096 20.678 17.282 . . . 1.0 . . . . . . . . . . . . F . 35 GLU N . . . . . . . . . rr_1aot 1 . 1 . 577 . 1 1 35 GLU O O -40.804 21.477 14.591 . . . 1.0 . . . . . . . . . . . . F . 35 GLU O . . . . . . . . . rr_1aot 1 . 1 . 578 . 1 1 35 GLU OE1 O -41.134 25.689 17.932 . . . 1.0 . . . . . . . . . . . . F . 35 GLU OE1 . . . . . . . . . rr_1aot 1 . 1 . 579 . 1 1 35 GLU OE2 O -40.212 25.301 19.840 . . . 1.0 . . . . . . . . . . . . F . 35 GLU OE2 . . . . . . . . . rr_1aot 1 . 1 . 580 . 1 1 36 SER C C -43.429 22.579 13.192 . . . 1.0 . . . . . . . . . . . . F . 36 SER C . . . . . . . . . rr_1aot 1 . 1 . 581 . 1 1 36 SER CA C -43.384 21.206 13.856 . . . 1.0 . . . . . . . . . . . . F . 36 SER CA . . . . . . . . . rr_1aot 1 . 1 . 582 . 1 1 36 SER CB C -44.796 20.626 13.860 . . . 1.0 . . . . . . . . . . . . F . 36 SER CB . . . . . . . . . rr_1aot 1 . 1 . 583 . 1 1 36 SER H H -43.536 21.347 15.993 . . . 1.0 . . . . . . . . . . . . F . 36 SER H . . . . . . . . . rr_1aot 1 . 1 . 584 . 1 1 36 SER HA H -42.725 20.554 13.302 . . . 1.0 . . . . . . . . . . . . F . 36 SER HA . . . . . . . . . rr_1aot 1 . 1 . 585 . 1 1 36 SER HB2 H -45.440 21.246 14.468 . . . 1.0 . . . . . . . . . . . . F . 36 SER HB2 . . . . . . . . . rr_1aot 1 . 1 . 586 . 1 1 36 SER HB3 H -45.172 20.607 12.853 . . . 1.0 . . . . . . . . . . . . F . 36 SER HB3 . . . . . . . . . rr_1aot 1 . 1 . 587 . 1 1 36 SER HG H -45.280 18.745 13.792 . . . 1.0 . . . . . . . . . . . . F . 36 SER HG . . . . . . . . . rr_1aot 1 . 1 . 588 . 1 1 36 SER N N -42.896 21.344 15.253 . . . 1.0 . . . . . . . . . . . . F . 36 SER N . . . . . . . . . rr_1aot 1 . 1 . 589 . 1 1 36 SER O O -44.032 23.505 13.698 . . . 1.0 . . . . . . . . . . . . F . 36 SER O . . . . . . . . . rr_1aot 1 . 1 . 590 . 1 1 36 SER OG O -44.768 19.306 14.379 . . . 1.0 . . . . . . . . . . . . F . 36 SER OG . . . . . . . . . rr_1aot 1 . 1 . 591 . 1 1 37 GLU C C -44.079 24.051 10.437 . . . 1.0 . . . . . . . . . . . . F . 37 GLU C . . . . . . . . . rr_1aot 1 . 1 . 592 . 1 1 37 GLU CA C -42.852 24.021 11.345 . . . 1.0 . . . . . . . . . . . . F . 37 GLU CA . . . . . . . . . rr_1aot 1 . 1 . 593 . 1 1 37 GLU CB C -41.603 24.167 10.489 . . . 1.0 . . . . . . . . . . . . F . 37 GLU CB . . . . . . . . . rr_1aot 1 . 1 . 594 . 1 1 37 GLU CD C -39.546 25.514 10.933 . . . 1.0 . . . . . . . . . . . . F . 37 GLU CD . . . . . . . . . rr_1aot 1 . 1 . 595 . 1 1 37 GLU CG C -40.375 24.312 11.390 . . . 1.0 . . . . . . . . . . . . F . 37 GLU CG . . . . . . . . . rr_1aot 1 . 1 . 596 . 1 1 37 GLU H H -42.352 21.951 11.651 . . . 1.0 . . . . . . . . . . . . F . 37 GLU H . . . . . . . . . rr_1aot 1 . 1 . 597 . 1 1 37 GLU HA H -42.904 24.828 12.061 . . . 1.0 . . . . . . . . . . . . F . 37 GLU HA . . . . . . . . . rr_1aot 1 . 1 . 598 . 1 1 37 GLU HB2 H -41.496 23.290 9.870 . . . 1.0 . . . . . . . . . . . . F . 37 GLU HB2 . . . . . . . . . rr_1aot 1 . 1 . 599 . 1 1 37 GLU HB3 H -41.700 25.040 9.864 . . . 1.0 . . . . . . . . . . . . F . 37 GLU HB3 . . . . . . . . . rr_1aot 1 . 1 . 600 . 1 1 37 GLU HG2 H -40.694 24.462 12.411 . . . 1.0 . . . . . . . . . . . . F . 37 GLU HG2 . . . . . . . . . rr_1aot 1 . 1 . 601 . 1 1 37 GLU HG3 H -39.775 23.416 11.329 . . . 1.0 . . . . . . . . . . . . F . 37 GLU HG3 . . . . . . . . . rr_1aot 1 . 1 . 602 . 1 1 37 GLU N N -42.818 22.714 12.052 . . . 1.0 . . . . . . . . . . . . F . 37 GLU N . . . . . . . . . rr_1aot 1 . 1 . 603 . 1 1 37 GLU O O -44.200 24.881 9.558 . . . 1.0 . . . . . . . . . . . . F . 37 GLU O . . . . . . . . . rr_1aot 1 . 1 . 604 . 1 1 37 GLU OE1 O -39.509 25.763 9.740 . . . 1.0 . . . . . . . . . . . . F . 37 GLU OE1 . . . . . . . . . rr_1aot 1 . 1 . 605 . 1 1 37 GLU OE2 O -38.962 26.164 11.785 . . . 1.0 . . . . . . . . . . . . F . 37 GLU OE2 . . . . . . . . . rr_1aot 1 . 1 . 606 . 1 1 38 THR C C -47.192 24.145 10.288 . . . 1.0 . . . . . . . . . . . . F . 38 THR C . . . . . . . . . rr_1aot 1 . 1 . 607 . 1 1 38 THR CA C -46.208 23.095 9.795 . . . 1.0 . . . . . . . . . . . . F . 38 THR CA . . . . . . . . . rr_1aot 1 . 1 . 608 . 1 1 38 THR CB C -46.840 21.701 9.896 . . . 1.0 . . . . . . . . . . . . F . 38 THR CB . . . . . . . . . rr_1aot 1 . 1 . 609 . 1 1 38 THR CG2 C -47.670 21.584 11.179 . . . 1.0 . . . . . . . . . . . . F . 38 THR CG2 . . . . . . . . . rr_1aot 1 . 1 . 610 . 1 1 38 THR H H -44.863 22.483 11.356 . . . 1.0 . . . . . . . . . . . . F . 38 THR H . . . . . . . . . rr_1aot 1 . 1 . 611 . 1 1 38 THR HA H -45.944 23.300 8.770 . . . 1.0 . . . . . . . . . . . . F . 38 THR HA . . . . . . . . . rr_1aot 1 . 1 . 612 . 1 1 38 THR HB H -46.058 20.961 9.917 . . . 1.0 . . . . . . . . . . . . F . 38 THR HB . . . . . . . . . rr_1aot 1 . 1 . 613 . 1 1 38 THR HG1 H -47.731 20.530 8.624 . . . 1.0 . . . . . . . . . . . . F . 38 THR HG1 . . . . . . . . . rr_1aot 1 . 1 . 614 . 1 1 38 THR HG21 H -47.042 21.786 12.034 . . . 1.0 . . . . . . . . . . . . F . 38 THR HG21 . . . . . . . . . rr_1aot 1 . 1 . 615 . 1 1 38 THR HG22 H -48.480 22.298 11.150 . . . 1.0 . . . . . . . . . . . . F . 38 THR HG22 . . . . . . . . . rr_1aot 1 . 1 . 616 . 1 1 38 THR HG23 H -48.074 20.585 11.256 . . . 1.0 . . . . . . . . . . . . F . 38 THR HG23 . . . . . . . . . rr_1aot 1 . 1 . 617 . 1 1 38 THR N N -44.987 23.140 10.642 . . . 1.0 . . . . . . . . . . . . F . 38 THR N . . . . . . . . . rr_1aot 1 . 1 . 618 . 1 1 38 THR O O -47.816 24.847 9.517 . . . 1.0 . . . . . . . . . . . . F . 38 THR O . . . . . . . . . rr_1aot 1 . 1 . 619 . 1 1 38 THR OG1 O -47.674 21.478 8.768 . . . 1.0 . . . . . . . . . . . . F . 38 THR OG1 . . . . . . . . . rr_1aot 1 . 1 . 620 . 1 1 39 THR C C -47.499 26.404 12.769 . . . 1.0 . . . . . . . . . . . . F . 39 THR C . . . . . . . . . rr_1aot 1 . 1 . 621 . 1 1 39 THR CA C -48.284 25.256 12.130 . . . 1.0 . . . . . . . . . . . . F . 39 THR CA . . . . . . . . . rr_1aot 1 . 1 . 622 . 1 1 39 THR CB C -49.189 24.585 13.172 . . . 1.0 . . . . . . . . . . . . F . 39 THR CB . . . . . . . . . rr_1aot 1 . 1 . 623 . 1 1 39 THR CG2 C -48.461 24.474 14.513 . . . 1.0 . . . . . . . . . . . . F . 39 THR CG2 . . . . . . . . . rr_1aot 1 . 1 . 624 . 1 1 39 THR H H -46.811 23.663 12.174 . . . 1.0 . . . . . . . . . . . . F . 39 THR H . . . . . . . . . rr_1aot 1 . 1 . 625 . 1 1 39 THR HA H -48.894 25.647 11.329 . . . 1.0 . . . . . . . . . . . . F . 39 THR HA . . . . . . . . . rr_1aot 1 . 1 . 626 . 1 1 39 THR HB H -49.452 23.596 12.830 . . . 1.0 . . . . . . . . . . . . F . 39 THR HB . . . . . . . . . rr_1aot 1 . 1 . 627 . 1 1 39 THR HG1 H -51.120 24.758 13.327 . . . 1.0 . . . . . . . . . . . . F . 39 THR HG1 . . . . . . . . . rr_1aot 1 . 1 . 628 . 1 1 39 THR HG21 H -47.395 24.518 14.348 . . . 1.0 . . . . . . . . . . . . F . 39 THR HG21 . . . . . . . . . rr_1aot 1 . 1 . 629 . 1 1 39 THR HG22 H -48.761 25.290 15.153 . . . 1.0 . . . . . . . . . . . . F . 39 THR HG22 . . . . . . . . . rr_1aot 1 . 1 . 630 . 1 1 39 THR HG23 H -48.715 23.536 14.983 . . . 1.0 . . . . . . . . . . . . F . 39 THR HG23 . . . . . . . . . rr_1aot 1 . 1 . 631 . 1 1 39 THR N N -47.334 24.251 11.574 . . . 1.0 . . . . . . . . . . . . F . 39 THR N . . . . . . . . . rr_1aot 1 . 1 . 632 . 1 1 39 THR O O -46.290 26.470 12.667 . . . 1.0 . . . . . . . . . . . . F . 39 THR O . . . . . . . . . rr_1aot 1 . 1 . 633 . 1 1 39 THR OG1 O -50.369 25.357 13.337 . . . 1.0 . . . . . . . . . . . . F . 39 THR OG1 . . . . . . . . . rr_1aot 1 . 1 . 634 . 1 1 40 LYS C C -46.223 27.912 14.770 . . . 1.0 . . . . . . . . . . . . F . 40 LYS C . . . . . . . . . rr_1aot 1 . 1 . 635 . 1 1 40 LYS CA C -47.471 28.444 14.076 . . . 1.0 . . . . . . . . . . . . F . 40 LYS CA . . . . . . . . . rr_1aot 1 . 1 . 636 . 1 1 40 LYS CB C -48.391 29.089 15.112 . . . 1.0 . . . . . . . . . . . . F . 40 LYS CB . . . . . . . . . rr_1aot 1 . 1 . 637 . 1 1 40 LYS CD C -50.610 30.213 15.351 . . . 1.0 . . . . . . . . . . . . F . 40 LYS CD . . . . . . . . . rr_1aot 1 . 1 . 638 . 1 1 40 LYS CE C -52.102 29.896 15.236 . . . 1.0 . . . . . . . . . . . . F . 40 LYS CE . . . . . . . . . rr_1aot 1 . 1 . 639 . 1 1 40 LYS CG C -49.807 29.188 14.546 . . . 1.0 . . . . . . . . . . . . F . 40 LYS CG . . . . . . . . . rr_1aot 1 . 1 . 640 . 1 1 40 LYS H H -49.148 27.233 13.500 . . . 1.0 . . . . . . . . . . . . F . 40 LYS H . . . . . . . . . rr_1aot 1 . 1 . 641 . 1 1 40 LYS HA H -47.195 29.170 13.330 . . . 1.0 . . . . . . . . . . . . F . 40 LYS HA . . . . . . . . . rr_1aot 1 . 1 . 642 . 1 1 40 LYS HB2 H -48.405 28.481 16.003 . . . 1.0 . . . . . . . . . . . . F . 40 LYS HB2 . . . . . . . . . rr_1aot 1 . 1 . 643 . 1 1 40 LYS HB3 H -48.028 30.076 15.353 . . . 1.0 . . . . . . . . . . . . F . 40 LYS HB3 . . . . . . . . . rr_1aot 1 . 1 . 644 . 1 1 40 LYS HD2 H -50.311 30.170 16.388 . . . 1.0 . . . . . . . . . . . . F . 40 LYS HD2 . . . . . . . . . rr_1aot 1 . 1 . 645 . 1 1 40 LYS HD3 H -50.421 31.203 14.963 . . . 1.0 . . . . . . . . . . . . F . 40 LYS HD3 . . . . . . . . . rr_1aot 1 . 1 . 646 . 1 1 40 LYS HE2 H -52.299 29.433 14.280 . . . 1.0 . . . . . . . . . . . . F . 40 LYS HE2 . . . . . . . . . rr_1aot 1 . 1 . 647 . 1 1 40 LYS HE3 H -52.389 29.222 16.029 . . . 1.0 . . . . . . . . . . . . F . 40 LYS HE3 . . . . . . . . . rr_1aot 1 . 1 . 648 . 1 1 40 LYS HG2 H -49.761 29.497 13.513 . . . 1.0 . . . . . . . . . . . . F . 40 LYS HG2 . . . . . . . . . rr_1aot 1 . 1 . 649 . 1 1 40 LYS HG3 H -50.285 28.222 14.612 . . . 1.0 . . . . . . . . . . . . F . 40 LYS HG3 . . . . . . . . . rr_1aot 1 . 1 . 650 . 1 1 40 LYS HZ1 H -52.580 31.825 14.612 . . . 1.0 . . . . . . . . . . . . F . 40 LYS HZ1 . . . . . . . . . rr_1aot 1 . 1 . 651 . 1 1 40 LYS HZ2 H -53.898 30.950 15.222 . . . 1.0 . . . . . . . . . . . . F . 40 LYS HZ2 . . . . . . . . . rr_1aot 1 . 1 . 652 . 1 1 40 LYS HZ3 H -52.733 31.580 16.286 . . . 1.0 . . . . . . . . . . . . F . 40 LYS HZ3 . . . . . . . . . rr_1aot 1 . 1 . 653 . 1 1 40 LYS N N -48.177 27.306 13.428 . . . 1.0 . . . . . . . . . . . . F . 40 LYS N . . . . . . . . . rr_1aot 1 . 1 . 654 . 1 1 40 LYS NZ N -52.888 31.158 15.347 . . . 1.0 . . . . . . . . . . . . F . 40 LYS NZ . . . . . . . . . rr_1aot 1 . 1 . 655 . 1 1 40 LYS O O -45.183 28.540 14.786 . . . 1.0 . . . . . . . . . . . . F . 40 LYS O . . . . . . . . . rr_1aot 1 . 1 . 656 . 1 1 41 GLY C C -45.661 25.062 16.995 . . . 1.0 . . . . . . . . . . . . F . 41 GLY C . . . . . . . . . rr_1aot 1 . 1 . 657 . 1 1 41 GLY CA C -45.166 26.140 16.032 . . . 1.0 . . . . . . . . . . . . F . 41 GLY CA . . . . . . . . . rr_1aot 1 . 1 . 658 . 1 1 41 GLY H H -47.178 26.267 15.303 . . . 1.0 . . . . . . . . . . . . F . 41 GLY H . . . . . . . . . rr_1aot 1 . 1 . 659 . 1 1 41 GLY HA2 H -44.508 25.692 15.298 . . . 1.0 . . . . . . . . . . . . F . 41 GLY HA2 . . . . . . . . . rr_1aot 1 . 1 . 660 . 1 1 41 GLY HA3 H -44.636 26.901 16.580 . . . 1.0 . . . . . . . . . . . . F . 41 GLY HA3 . . . . . . . . . rr_1aot 1 . 1 . 661 . 1 1 41 GLY N N -46.328 26.747 15.338 . . . 1.0 . . . . . . . . . . . . F . 41 GLY N . . . . . . . . . rr_1aot 1 . 1 . 662 . 1 1 41 GLY O O -45.636 25.224 18.199 . . . 1.0 . . . . . . . . . . . . F . 41 GLY O . . . . . . . . . rr_1aot 1 . 1 . 663 . 1 1 42 ALA C C -45.391 21.985 17.695 . . . 1.0 . . . . . . . . . . . . F . 42 ALA C . . . . . . . . . rr_1aot 1 . 1 . 664 . 1 1 42 ALA CA C -46.585 22.846 17.323 . . . 1.0 . . . . . . . . . . . . F . 42 ALA CA . . . . . . . . . rr_1aot 1 . 1 . 665 . 1 1 42 ALA CB C -47.596 22.013 16.531 . . . 1.0 . . . . . . . . . . . . F . 42 ALA CB . . . . . . . . . rr_1aot 1 . 1 . 666 . 1 1 42 ALA H H -46.092 23.850 15.494 . . . 1.0 . . . . . . . . . . . . F . 42 ALA H . . . . . . . . . rr_1aot 1 . 1 . 667 . 1 1 42 ALA HA H -47.047 23.234 18.216 . . . 1.0 . . . . . . . . . . . . F . 42 ALA HA . . . . . . . . . rr_1aot 1 . 1 . 668 . 1 1 42 ALA HB1 H -47.493 22.232 15.477 . . . 1.0 . . . . . . . . . . . . F . 42 ALA HB1 . . . . . . . . . rr_1aot 1 . 1 . 669 . 1 1 42 ALA HB2 H -47.409 20.963 16.697 . . . 1.0 . . . . . . . . . . . . F . 42 ALA HB2 . . . . . . . . . rr_1aot 1 . 1 . 670 . 1 1 42 ALA HB3 H -48.597 22.256 16.854 . . . 1.0 . . . . . . . . . . . . F . 42 ALA HB3 . . . . . . . . . rr_1aot 1 . 1 . 671 . 1 1 42 ALA N N -46.098 23.957 16.465 . . . 1.0 . . . . . . . . . . . . F . 42 ALA N . . . . . . . . . rr_1aot 1 . 1 . 672 . 1 1 42 ALA O O -44.259 22.405 17.577 . . . 1.0 . . . . . . . . . . . . F . 42 ALA O . . . . . . . . . rr_1aot 1 . 1 . 673 . 1 1 43 TYR C C -44.445 18.735 17.524 . . . 1.0 . . . . . . . . . . . . F . 43 TYR C . . . . . . . . . rr_1aot 1 . 1 . 674 . 1 1 43 TYR CA C -44.467 19.920 18.473 . . . 1.0 . . . . . . . . . . . . F . 43 TYR CA . . . . . . . . . rr_1aot 1 . 1 . 675 . 1 1 43 TYR CB C -44.573 19.428 19.909 . . . 1.0 . . . . . . . . . . . . F . 43 TYR CB . . . . . . . . . rr_1aot 1 . 1 . 676 . 1 1 43 TYR CD1 C -42.097 19.793 20.185 . . . 1.0 . . . . . . . . . . . . F . 43 TYR CD1 . . . . . . . . . rr_1aot 1 . 1 . 677 . 1 1 43 TYR CD2 C -43.608 20.651 21.882 . . . 1.0 . . . . . . . . . . . . F . 43 TYR CD2 . . . . . . . . . rr_1aot 1 . 1 . 678 . 1 1 43 TYR CE1 C -41.008 20.314 20.899 . . . 1.0 . . . . . . . . . . . . F . 43 TYR CE1 . . . . . . . . . rr_1aot 1 . 1 . 679 . 1 1 43 TYR CE2 C -42.522 21.166 22.593 . . . 1.0 . . . . . . . . . . . . F . 43 TYR CE2 . . . . . . . . . rr_1aot 1 . 1 . 680 . 1 1 43 TYR CG C -43.398 19.965 20.681 . . . 1.0 . . . . . . . . . . . . F . 43 TYR CG . . . . . . . . . rr_1aot 1 . 1 . 681 . 1 1 43 TYR CZ C -41.224 21.001 22.104 . . . 1.0 . . . . . . . . . . . . F . 43 TYR CZ . . . . . . . . . rr_1aot 1 . 1 . 682 . 1 1 43 TYR H H -46.535 20.453 18.218 . . . 1.0 . . . . . . . . . . . . F . 43 TYR H . . . . . . . . . rr_1aot 1 . 1 . 683 . 1 1 43 TYR HA H -43.556 20.488 18.353 . . . 1.0 . . . . . . . . . . . . F . 43 TYR HA . . . . . . . . . rr_1aot 1 . 1 . 684 . 1 1 43 TYR HB2 H -45.493 19.783 20.348 . . . 1.0 . . . . . . . . . . . . F . 43 TYR HB2 . . . . . . . . . rr_1aot 1 . 1 . 685 . 1 1 43 TYR HB3 H -44.555 18.349 19.921 . . . 1.0 . . . . . . . . . . . . F . 43 TYR HB3 . . . . . . . . . rr_1aot 1 . 1 . 686 . 1 1 43 TYR HD1 H -41.934 19.258 19.250 . . . 1.0 . . . . . . . . . . . . F . 43 TYR HD1 . . . . . . . . . rr_1aot 1 . 1 . 687 . 1 1 43 TYR HD2 H -44.609 20.778 22.263 . . . 1.0 . . . . . . . . . . . . F . 43 TYR HD2 . . . . . . . . . rr_1aot 1 . 1 . 688 . 1 1 43 TYR HE1 H -40.004 20.185 20.523 . . . 1.0 . . . . . . . . . . . . F . 43 TYR HE1 . . . . . . . . . rr_1aot 1 . 1 . 689 . 1 1 43 TYR HE2 H -42.686 21.695 23.520 . . . 1.0 . . . . . . . . . . . . F . 43 TYR HE2 . . . . . . . . . rr_1aot 1 . 1 . 690 . 1 1 43 TYR HH H -40.043 22.434 22.541 . . . 1.0 . . . . . . . . . . . . F . 43 TYR HH . . . . . . . . . rr_1aot 1 . 1 . 691 . 1 1 43 TYR N N -45.618 20.785 18.130 . . . 1.0 . . . . . . . . . . . . F . 43 TYR N . . . . . . . . . rr_1aot 1 . 1 . 692 . 1 1 43 TYR O O -45.185 18.688 16.563 . . . 1.0 . . . . . . . . . . . . F . 43 TYR O . . . . . . . . . rr_1aot 1 . 1 . 693 . 1 1 43 TYR OH O -40.159 21.519 22.809 . . . 1.0 . . . . . . . . . . . . F . 43 TYR OH . . . . . . . . . rr_1aot 1 . 1 . 694 . 1 1 44 SER C C -42.865 15.435 17.513 . . . 1.0 . . . . . . . . . . . . F . 44 SER C . . . . . . . . . rr_1aot 1 . 1 . 695 . 1 1 44 SER CA C -43.535 16.623 16.842 . . . 1.0 . . . . . . . . . . . . F . 44 SER CA . . . . . . . . . rr_1aot 1 . 1 . 696 . 1 1 44 SER CB C -42.725 17.020 15.623 . . . 1.0 . . . . . . . . . . . . F . 44 SER CB . . . . . . . . . rr_1aot 1 . 1 . 697 . 1 1 44 SER H H -42.993 17.837 18.535 . . . 1.0 . . . . . . . . . . . . F . 44 SER H . . . . . . . . . rr_1aot 1 . 1 . 698 . 1 1 44 SER HA H -44.527 16.347 16.534 . . . 1.0 . . . . . . . . . . . . F . 44 SER HA . . . . . . . . . rr_1aot 1 . 1 . 699 . 1 1 44 SER HB2 H -43.257 17.781 15.072 . . . 1.0 . . . . . . . . . . . . F . 44 SER HB2 . . . . . . . . . rr_1aot 1 . 1 . 700 . 1 1 44 SER HB3 H -41.775 17.405 15.953 . . . 1.0 . . . . . . . . . . . . F . 44 SER HB3 . . . . . . . . . rr_1aot 1 . 1 . 701 . 1 1 44 SER HG H -42.932 16.059 13.945 . . . 1.0 . . . . . . . . . . . . F . 44 SER HG . . . . . . . . . rr_1aot 1 . 1 . 702 . 1 1 44 SER N N -43.596 17.782 17.764 . . . 1.0 . . . . . . . . . . . . F . 44 SER N . . . . . . . . . rr_1aot 1 . 1 . 703 . 1 1 44 SER O O -42.198 15.555 18.520 . . . 1.0 . . . . . . . . . . . . F . 44 SER O . . . . . . . . . rr_1aot 1 . 1 . 704 . 1 1 44 SER OG O -42.520 15.885 14.794 . . . 1.0 . . . . . . . . . . . . F . 44 SER OG . . . . . . . . . rr_1aot 1 . 1 . 705 . 1 1 45 LEU C C -41.856 12.223 16.342 . . . 1.0 . . . . . . . . . . . . F . 45 LEU C . . . . . . . . . rr_1aot 1 . 1 . 706 . 1 1 45 LEU CA C -42.401 13.064 17.494 . . . 1.0 . . . . . . . . . . . . F . 45 LEU CA . . . . . . . . . rr_1aot 1 . 1 . 707 . 1 1 45 LEU CB C -43.430 12.249 18.276 . . . 1.0 . . . . . . . . . . . . F . 45 LEU CB . . . . . . . . . rr_1aot 1 . 1 . 708 . 1 1 45 LEU CD1 C -41.715 11.165 19.729 . . . 1.0 . . . . . . . . . . . . F . 45 LEU CD1 . . . . . . . . . rr_1aot 1 . 1 . 709 . 1 1 45 LEU CD2 C -43.871 10.003 19.271 . . . 1.0 . . . . . . . . . . . . F . 45 LEU CD2 . . . . . . . . . rr_1aot 1 . 1 . 710 . 1 1 45 LEU CG C -42.801 10.916 18.683 . . . 1.0 . . . . . . . . . . . . F . 45 LEU CG . . . . . . . . . rr_1aot 1 . 1 . 711 . 1 1 45 LEU H H -43.563 14.238 16.114 . . . 1.0 . . . . . . . . . . . . F . 45 LEU H . . . . . . . . . rr_1aot 1 . 1 . 712 . 1 1 45 LEU HA H -41.593 13.347 18.149 . . . 1.0 . . . . . . . . . . . . F . 45 LEU HA . . . . . . . . . rr_1aot 1 . 1 . 713 . 1 1 45 LEU HB2 H -43.726 12.793 19.160 . . . 1.0 . . . . . . . . . . . . F . 45 LEU HB2 . . . . . . . . . rr_1aot 1 . 1 . 714 . 1 1 45 LEU HB3 H -44.295 12.068 17.656 . . . 1.0 . . . . . . . . . . . . F . 45 LEU HB3 . . . . . . . . . rr_1aot 1 . 1 . 715 . 1 1 45 LEU HD11 H -41.499 12.222 19.777 . . . 1.0 . . . . . . . . . . . . F . 45 LEU HD11 . . . . . . . . . rr_1aot 1 . 1 . 716 . 1 1 45 LEU HD12 H -42.060 10.824 20.694 . . . 1.0 . . . . . . . . . . . . F . 45 LEU HD12 . . . . . . . . . rr_1aot 1 . 1 . 717 . 1 1 45 LEU HD13 H -40.820 10.627 19.454 . . . 1.0 . . . . . . . . . . . . F . 45 LEU HD13 . . . . . . . . . rr_1aot 1 . 1 . 718 . 1 1 45 LEU HD21 H -44.604 10.599 19.793 . . . 1.0 . . . . . . . . . . . . F . 45 LEU HD21 . . . . . . . . . rr_1aot 1 . 1 . 719 . 1 1 45 LEU HD22 H -44.351 9.455 18.475 . . . 1.0 . . . . . . . . . . . . F . 45 LEU HD22 . . . . . . . . . rr_1aot 1 . 1 . 720 . 1 1 45 LEU HD23 H -43.412 9.310 19.962 . . . 1.0 . . . . . . . . . . . . F . 45 LEU HD23 . . . . . . . . . rr_1aot 1 . 1 . 721 . 1 1 45 LEU HG H -42.363 10.445 17.815 . . . 1.0 . . . . . . . . . . . . F . 45 LEU HG . . . . . . . . . rr_1aot 1 . 1 . 722 . 1 1 45 LEU N N -43.031 14.288 16.934 . . . 1.0 . . . . . . . . . . . . F . 45 LEU N . . . . . . . . . rr_1aot 1 . 1 . 723 . 1 1 45 LEU O O -42.525 11.354 15.820 . . . 1.0 . . . . . . . . . . . . F . 45 LEU O . . . . . . . . . rr_1aot 1 . 1 . 724 . 1 1 46 SER C C -39.826 10.264 15.256 . . . 1.0 . . . . . . . . . . . . F . 46 SER C . . . . . . . . . rr_1aot 1 . 1 . 725 . 1 1 46 SER CA C -40.054 11.706 14.813 . . . 1.0 . . . . . . . . . . . . F . 46 SER CA . . . . . . . . . rr_1aot 1 . 1 . 726 . 1 1 46 SER CB C -38.721 12.334 14.402 . . . 1.0 . . . . . . . . . . . . F . 46 SER CB . . . . . . . . . rr_1aot 1 . 1 . 727 . 1 1 46 SER H H -40.130 13.187 16.373 . . . 1.0 . . . . . . . . . . . . F . 46 SER H . . . . . . . . . rr_1aot 1 . 1 . 728 . 1 1 46 SER HA H -40.731 11.720 13.973 . . . 1.0 . . . . . . . . . . . . F . 46 SER HA . . . . . . . . . rr_1aot 1 . 1 . 729 . 1 1 46 SER HB2 H -37.908 11.740 14.790 . . . 1.0 . . . . . . . . . . . . F . 46 SER HB2 . . . . . . . . . rr_1aot 1 . 1 . 730 . 1 1 46 SER HB3 H -38.658 12.370 13.325 . . . 1.0 . . . . . . . . . . . . F . 46 SER HB3 . . . . . . . . . rr_1aot 1 . 1 . 731 . 1 1 46 SER HG H -37.888 14.087 14.512 . . . 1.0 . . . . . . . . . . . . F . 46 SER HG . . . . . . . . . rr_1aot 1 . 1 . 732 . 1 1 46 SER N N -40.646 12.481 15.938 . . . 1.0 . . . . . . . . . . . . F . 46 SER N . . . . . . . . . rr_1aot 1 . 1 . 733 . 1 1 46 SER O O -39.745 9.969 16.431 . . . 1.0 . . . . . . . . . . . . F . 46 SER O . . . . . . . . . rr_1aot 1 . 1 . 734 . 1 1 46 SER OG O -38.638 13.652 14.924 . . . 1.0 . . . . . . . . . . . . F . 46 SER OG . . . . . . . . . rr_1aot 1 . 1 . 735 . 1 1 47 ILE C C -38.506 7.302 13.720 . . . 1.0 . . . . . . . . . . . . F . 47 ILE C . . . . . . . . . rr_1aot 1 . 1 . 736 . 1 1 47 ILE CA C -39.512 7.936 14.688 . . . 1.0 . . . . . . . . . . . . F . 47 ILE CA . . . . . . . . . rr_1aot 1 . 1 . 737 . 1 1 47 ILE CB C -40.856 7.186 14.635 . . . 1.0 . . . . . . . . . . . . F . 47 ILE CB . . . . . . . . . rr_1aot 1 . 1 . 738 . 1 1 47 ILE CD1 C -42.404 5.816 13.227 . . . 1.0 . . . . . . . . . . . . F . 47 ILE CD1 . . . . . . . . . rr_1aot 1 . 1 . 739 . 1 1 47 ILE CG1 C -41.118 6.646 13.224 . . . 1.0 . . . . . . . . . . . . F . 47 ILE CG1 . . . . . . . . . rr_1aot 1 . 1 . 740 . 1 1 47 ILE CG2 C -41.987 8.143 15.019 . . . 1.0 . . . . . . . . . . . . F . 47 ILE CG2 . . . . . . . . . rr_1aot 1 . 1 . 741 . 1 1 47 ILE H H -39.804 9.620 13.384 . . . 1.0 . . . . . . . . . . . . F . 47 ILE H . . . . . . . . . rr_1aot 1 . 1 . 742 . 1 1 47 ILE HA H -39.116 7.884 15.690 . . . 1.0 . . . . . . . . . . . . F . 47 ILE HA . . . . . . . . . rr_1aot 1 . 1 . 743 . 1 1 47 ILE HB H -40.831 6.366 15.336 . . . 1.0 . . . . . . . . . . . . F . 47 ILE HB . . . . . . . . . rr_1aot 1 . 1 . 744 . 1 1 47 ILE HD11 H -43.152 6.314 13.826 . . . 1.0 . . . . . . . . . . . . F . 47 ILE HD11 . . . . . . . . . rr_1aot 1 . 1 . 745 . 1 1 47 ILE HD12 H -42.765 5.708 12.215 . . . 1.0 . . . . . . . . . . . . F . 47 ILE HD12 . . . . . . . . . rr_1aot 1 . 1 . 746 . 1 1 47 ILE HD13 H -42.201 4.840 13.643 . . . 1.0 . . . . . . . . . . . . F . 47 ILE HD13 . . . . . . . . . rr_1aot 1 . 1 . 747 . 1 1 47 ILE HG12 H -41.225 7.471 12.536 . . . 1.0 . . . . . . . . . . . . F . 47 ILE HG12 . . . . . . . . . rr_1aot 1 . 1 . 748 . 1 1 47 ILE HG13 H -40.290 6.024 12.916 . . . 1.0 . . . . . . . . . . . . F . 47 ILE HG13 . . . . . . . . . rr_1aot 1 . 1 . 749 . 1 1 47 ILE HG21 H -41.791 8.560 15.995 . . . 1.0 . . . . . . . . . . . . F . 47 ILE HG21 . . . . . . . . . rr_1aot 1 . 1 . 750 . 1 1 47 ILE HG22 H -42.044 8.940 14.293 . . . 1.0 . . . . . . . . . . . . F . 47 ILE HG22 . . . . . . . . . rr_1aot 1 . 1 . 751 . 1 1 47 ILE HG23 H -42.924 7.606 15.037 . . . 1.0 . . . . . . . . . . . . F . 47 ILE HG23 . . . . . . . . . rr_1aot 1 . 1 . 752 . 1 1 47 ILE N N -39.729 9.361 14.322 . . . 1.0 . . . . . . . . . . . . F . 47 ILE N . . . . . . . . . rr_1aot 1 . 1 . 753 . 1 1 47 ILE O O -38.399 7.691 12.575 . . . 1.0 . . . . . . . . . . . . F . 47 ILE O . . . . . . . . . rr_1aot 1 . 1 . 754 . 1 1 48 ARG C C -37.259 4.224 13.014 . . . 1.0 . . . . . . . . . . . . F . 48 ARG C . . . . . . . . . rr_1aot 1 . 1 . 755 . 1 1 48 ARG CA C -36.787 5.651 13.284 . . . 1.0 . . . . . . . . . . . . F . 48 ARG CA . . . . . . . . . rr_1aot 1 . 1 . 756 . 1 1 48 ARG CB C -35.420 5.615 13.970 . . . 1.0 . . . . . . . . . . . . F . 48 ARG CB . . . . . . . . . rr_1aot 1 . 1 . 757 . 1 1 48 ARG CD C -34.038 4.524 12.195 . . . 1.0 . . . . . . . . . . . . F . 48 ARG CD . . . . . . . . . rr_1aot 1 . 1 . 758 . 1 1 48 ARG CG C -34.321 5.836 12.929 . . . 1.0 . . . . . . . . . . . . F . 48 ARG CG . . . . . . . . . rr_1aot 1 . 1 . 759 . 1 1 48 ARG CZ C -32.135 3.061 11.852 . . . 1.0 . . . . . . . . . . . . F . 48 ARG CZ . . . . . . . . . rr_1aot 1 . 1 . 760 . 1 1 48 ARG H H -37.885 6.020 15.098 . . . 1.0 . . . . . . . . . . . . F . 48 ARG H . . . . . . . . . rr_1aot 1 . 1 . 761 . 1 1 48 ARG HA H -36.713 6.190 12.351 . . . 1.0 . . . . . . . . . . . . F . 48 ARG HA . . . . . . . . . rr_1aot 1 . 1 . 762 . 1 1 48 ARG HB2 H -35.371 6.394 14.716 . . . 1.0 . . . . . . . . . . . . F . 48 ARG HB2 . . . . . . . . . rr_1aot 1 . 1 . 763 . 1 1 48 ARG HB3 H -35.280 4.655 14.443 . . . 1.0 . . . . . . . . . . . . F . 48 ARG HB3 . . . . . . . . . rr_1aot 1 . 1 . 764 . 1 1 48 ARG HD2 H -34.614 3.728 12.645 . . . 1.0 . . . . . . . . . . . . F . 48 ARG HD2 . . . . . . . . . rr_1aot 1 . 1 . 765 . 1 1 48 ARG HD3 H -34.314 4.626 11.156 . . . 1.0 . . . . . . . . . . . . F . 48 ARG HD3 . . . . . . . . . rr_1aot 1 . 1 . 766 . 1 1 48 ARG HE H -31.968 4.854 12.688 . . . 1.0 . . . . . . . . . . . . F . 48 ARG HE . . . . . . . . . rr_1aot 1 . 1 . 767 . 1 1 48 ARG HG2 H -34.643 6.583 12.219 . . . 1.0 . . . . . . . . . . . . F . 48 ARG HG2 . . . . . . . . . rr_1aot 1 . 1 . 768 . 1 1 48 ARG HG3 H -33.421 6.173 13.422 . . . 1.0 . . . . . . . . . . . . F . 48 ARG HG3 . . . . . . . . . rr_1aot 1 . 1 . 769 . 1 1 48 ARG HH11 H -33.887 2.113 12.056 . . . 1.0 . . . . . . . . . . . . F . 48 ARG HH11 . . . . . . . . . rr_1aot 1 . 1 . 770 . 1 1 48 ARG HH12 H -32.584 1.154 11.438 . . . 1.0 . . . . . . . . . . . . F . 48 ARG HH12 . . . . . . . . . rr_1aot 1 . 1 . 771 . 1 1 48 ARG HH21 H -30.277 3.740 11.546 . . . 1.0 . . . . . . . . . . . . F . 48 ARG HH21 . . . . . . . . . rr_1aot 1 . 1 . 772 . 1 1 48 ARG HH22 H -30.541 2.075 11.150 . . . 1.0 . . . . . . . . . . . . F . 48 ARG HH22 . . . . . . . . . rr_1aot 1 . 1 . 773 . 1 1 48 ARG N N -37.776 6.321 14.173 . . . 1.0 . . . . . . . . . . . . F . 48 ARG N . . . . . . . . . rr_1aot 1 . 1 . 774 . 1 1 48 ARG NE N -32.586 4.204 12.293 . . . 1.0 . . . . . . . . . . . . F . 48 ARG NE . . . . . . . . . rr_1aot 1 . 1 . 775 . 1 1 48 ARG NH1 N -32.931 2.029 11.776 . . . 1.0 . . . . . . . . . . . . F . 48 ARG NH1 . . . . . . . . . rr_1aot 1 . 1 . 776 . 1 1 48 ARG NH2 N -30.887 2.950 11.487 . . . 1.0 . . . . . . . . . . . . F . 48 ARG NH2 . . . . . . . . . rr_1aot 1 . 1 . 777 . 1 1 48 ARG O O -37.580 3.489 13.926 . . . 1.0 . . . . . . . . . . . . F . 48 ARG O . . . . . . . . . rr_1aot 1 . 1 . 778 . 1 1 49 ASP C C -37.098 1.901 10.221 . . . 1.0 . . . . . . . . . . . . F . 49 ASP C . . . . . . . . . rr_1aot 1 . 1 . 779 . 1 1 49 ASP CA C -37.783 2.439 11.481 . . . 1.0 . . . . . . . . . . . . F . 49 ASP CA . . . . . . . . . rr_1aot 1 . 1 . 780 . 1 1 49 ASP CB C -39.298 2.451 11.267 . . . 1.0 . . . . . . . . . . . . F . 49 ASP CB . . . . . . . . . rr_1aot 1 . 1 . 781 . 1 1 49 ASP CG C -39.759 1.067 10.804 . . . 1.0 . . . . . . . . . . . . F . 49 ASP CG . . . . . . . . . rr_1aot 1 . 1 . 782 . 1 1 49 ASP H H -37.062 4.426 11.046 . . . 1.0 . . . . . . . . . . . . F . 49 ASP H . . . . . . . . . rr_1aot 1 . 1 . 783 . 1 1 49 ASP HA H -37.547 1.799 12.320 . . . 1.0 . . . . . . . . . . . . F . 49 ASP HA . . . . . . . . . rr_1aot 1 . 1 . 784 . 1 1 49 ASP HB2 H -39.791 2.704 12.194 . . . 1.0 . . . . . . . . . . . . F . 49 ASP HB2 . . . . . . . . . rr_1aot 1 . 1 . 785 . 1 1 49 ASP HB3 H -39.549 3.184 10.514 . . . 1.0 . . . . . . . . . . . . F . 49 ASP HB3 . . . . . . . . . rr_1aot 1 . 1 . 786 . 1 1 49 ASP N N -37.317 3.822 11.776 . . . 1.0 . . . . . . . . . . . . F . 49 ASP N . . . . . . . . . rr_1aot 1 . 1 . 787 . 1 1 49 ASP O O -37.589 2.058 9.121 . . . 1.0 . . . . . . . . . . . . F . 49 ASP O . . . . . . . . . rr_1aot 1 . 1 . 788 . 1 1 49 ASP OD1 O -39.045 0.111 11.059 . . . 1.0 . . . . . . . . . . . . F . 49 ASP OD1 . . . . . . . . . rr_1aot 1 . 1 . 789 . 1 1 49 ASP OD2 O -40.818 0.987 10.204 . . . 1.0 . . . . . . . . . . . . F . 49 ASP OD2 . . . . . . . . . rr_1aot 1 . 1 . 790 . 1 1 50 TRP C C -35.978 -0.616 8.783 . . . 1.0 . . . . . . . . . . . . F . 50 TRP C . . . . . . . . . rr_1aot 1 . 1 . 791 . 1 1 50 TRP CA C -35.272 0.683 9.191 . . . 1.0 . . . . . . . . . . . . F . 50 TRP CA . . . . . . . . . rr_1aot 1 . 1 . 792 . 1 1 50 TRP CB C -33.808 0.408 9.561 . . . 1.0 . . . . . . . . . . . . F . 50 TRP CB . . . . . . . . . rr_1aot 1 . 1 . 793 . 1 1 50 TRP CD1 C -32.342 -0.236 7.604 . . . 1.0 . . . . . . . . . . . . F . 50 TRP CD1 . . . . . . . . . rr_1aot 1 . 1 . 794 . 1 1 50 TRP CD2 C -33.432 -1.978 8.492 . . . 1.0 . . . . . . . . . . . . F . 50 TRP CD2 . . . . . . . . . rr_1aot 1 . 1 . 795 . 1 1 50 TRP CE2 C -32.672 -2.488 7.417 . . . 1.0 . . . . . . . . . . . . F . 50 TRP CE2 . . . . . . . . . rr_1aot 1 . 1 . 796 . 1 1 50 TRP CE3 C -34.217 -2.864 9.233 . . . 1.0 . . . . . . . . . . . . F . 50 TRP CE3 . . . . . . . . . rr_1aot 1 . 1 . 797 . 1 1 50 TRP CG C -33.213 -0.552 8.585 . . . 1.0 . . . . . . . . . . . . F . 50 TRP CG . . . . . . . . . rr_1aot 1 . 1 . 798 . 1 1 50 TRP CH2 C -33.474 -4.719 7.843 . . . 1.0 . . . . . . . . . . . . F . 50 TRP CH2 . . . . . . . . . rr_1aot 1 . 1 . 799 . 1 1 50 TRP CZ2 C -32.689 -3.842 7.091 . . . 1.0 . . . . . . . . . . . . F . 50 TRP CZ2 . . . . . . . . . rr_1aot 1 . 1 . 800 . 1 1 50 TRP CZ3 C -34.240 -4.231 8.913 . . . 1.0 . . . . . . . . . . . . F . 50 TRP CZ3 . . . . . . . . . rr_1aot 1 . 1 . 801 . 1 1 50 TRP H H -35.606 1.123 11.274 . . . 1.0 . . . . . . . . . . . . F . 50 TRP H . . . . . . . . . rr_1aot 1 . 1 . 802 . 1 1 50 TRP HA H -35.314 1.383 8.369 . . . 1.0 . . . . . . . . . . . . F . 50 TRP HA . . . . . . . . . rr_1aot 1 . 1 . 803 . 1 1 50 TRP HB2 H -33.251 1.332 9.543 . . . 1.0 . . . . . . . . . . . . F . 50 TRP HB2 . . . . . . . . . rr_1aot 1 . 1 . 804 . 1 1 50 TRP HB3 H -33.763 -0.018 10.553 . . . 1.0 . . . . . . . . . . . . F . 50 TRP HB3 . . . . . . . . . rr_1aot 1 . 1 . 805 . 1 1 50 TRP HD1 H -31.963 0.748 7.399 . . . 1.0 . . . . . . . . . . . . F . 50 TRP HD1 . . . . . . . . . rr_1aot 1 . 1 . 806 . 1 1 50 TRP HE1 H -31.431 -1.430 6.123 . . . 1.0 . . . . . . . . . . . . F . 50 TRP HE1 . . . . . . . . . rr_1aot 1 . 1 . 807 . 1 1 50 TRP HE3 H -34.807 -2.487 10.053 . . . 1.0 . . . . . . . . . . . . F . 50 TRP HE3 . . . . . . . . . rr_1aot 1 . 1 . 808 . 1 1 50 TRP HH2 H -33.491 -5.770 7.601 . . . 1.0 . . . . . . . . . . . . F . 50 TRP HH2 . . . . . . . . . rr_1aot 1 . 1 . 809 . 1 1 50 TRP HZ2 H -32.097 -4.211 6.267 . . . 1.0 . . . . . . . . . . . . F . 50 TRP HZ2 . . . . . . . . . rr_1aot 1 . 1 . 810 . 1 1 50 TRP HZ3 H -34.847 -4.908 9.493 . . . 1.0 . . . . . . . . . . . . F . 50 TRP HZ3 . . . . . . . . . rr_1aot 1 . 1 . 811 . 1 1 50 TRP N N -35.977 1.251 10.376 . . . 1.0 . . . . . . . . . . . . F . 50 TRP N . . . . . . . . . rr_1aot 1 . 1 . 812 . 1 1 50 TRP NE1 N -32.031 -1.384 6.897 . . . 1.0 . . . . . . . . . . . . F . 50 TRP NE1 . . . . . . . . . rr_1aot 1 . 1 . 813 . 1 1 50 TRP O O -36.713 -1.199 9.556 . . . 1.0 . . . . . . . . . . . . F . 50 TRP O . . . . . . . . . rr_1aot 1 . 1 . 814 . 1 1 51 ASP C C -35.506 -3.167 6.276 . . . 1.0 . . . . . . . . . . . . F . 51 ASP C . . . . . . . . . rr_1aot 1 . 1 . 815 . 1 1 51 ASP CA C -36.458 -2.319 7.128 . . . 1.0 . . . . . . . . . . . . F . 51 ASP CA . . . . . . . . . rr_1aot 1 . 1 . 816 . 1 1 51 ASP CB C -37.692 -1.950 6.301 . . . 1.0 . . . . . . . . . . . . F . 51 ASP CB . . . . . . . . . rr_1aot 1 . 1 . 817 . 1 1 51 ASP CG C -38.878 -2.811 6.742 . . . 1.0 . . . . . . . . . . . . F . 51 ASP CG . . . . . . . . . rr_1aot 1 . 1 . 818 . 1 1 51 ASP H H -35.191 -0.580 6.961 . . . 1.0 . . . . . . . . . . . . F . 51 ASP H . . . . . . . . . rr_1aot 1 . 1 . 819 . 1 1 51 ASP HA H -36.766 -2.887 7.993 . . . 1.0 . . . . . . . . . . . . F . 51 ASP HA . . . . . . . . . rr_1aot 1 . 1 . 820 . 1 1 51 ASP HB2 H -37.929 -0.907 6.455 . . . 1.0 . . . . . . . . . . . . F . 51 ASP HB2 . . . . . . . . . rr_1aot 1 . 1 . 821 . 1 1 51 ASP HB3 H -37.490 -2.122 5.255 . . . 1.0 . . . . . . . . . . . . F . 51 ASP HB3 . . . . . . . . . rr_1aot 1 . 1 . 822 . 1 1 51 ASP N N -35.777 -1.067 7.574 . . . 1.0 . . . . . . . . . . . . F . 51 ASP N . . . . . . . . . rr_1aot 1 . 1 . 823 . 1 1 51 ASP O O -34.562 -2.669 5.697 . . . 1.0 . . . . . . . . . . . . F . 51 ASP O . . . . . . . . . rr_1aot 1 . 1 . 824 . 1 1 51 ASP OD1 O -38.661 -3.736 7.506 . . . 1.0 . . . . . . . . . . . . F . 51 ASP OD1 . . . . . . . . . rr_1aot 1 . 1 . 825 . 1 1 51 ASP OD2 O -39.983 -2.529 6.307 . . . 1.0 . . . . . . . . . . . . F . 51 ASP OD2 . . . . . . . . . rr_1aot 1 . 1 . 826 . 1 1 52 ASP C C -35.306 -5.342 3.930 . . . 1.0 . . . . . . . . . . . . F . 52 ASP C . . . . . . . . . rr_1aot 1 . 1 . 827 . 1 1 52 ASP CA C -34.868 -5.345 5.398 . . . 1.0 . . . . . . . . . . . . F . 52 ASP CA . . . . . . . . . rr_1aot 1 . 1 . 828 . 1 1 52 ASP CB C -34.960 -6.773 5.951 . . . 1.0 . . . . . . . . . . . . F . 52 ASP CB . . . . . . . . . rr_1aot 1 . 1 . 829 . 1 1 52 ASP CG C -36.275 -7.420 5.505 . . . 1.0 . . . . . . . . . . . . F . 52 ASP CG . . . . . . . . . rr_1aot 1 . 1 . 830 . 1 1 52 ASP H H -36.520 -4.826 6.681 . . . 1.0 . . . . . . . . . . . . F . 52 ASP H . . . . . . . . . rr_1aot 1 . 1 . 831 . 1 1 52 ASP HA H -33.849 -5.001 5.465 . . . 1.0 . . . . . . . . . . . . F . 52 ASP HA . . . . . . . . . rr_1aot 1 . 1 . 832 . 1 1 52 ASP HB2 H -34.129 -7.356 5.583 . . . 1.0 . . . . . . . . . . . . F . 52 ASP HB2 . . . . . . . . . rr_1aot 1 . 1 . 833 . 1 1 52 ASP HB3 H -34.928 -6.743 7.030 . . . 1.0 . . . . . . . . . . . . F . 52 ASP HB3 . . . . . . . . . rr_1aot 1 . 1 . 834 . 1 1 52 ASP N N -35.752 -4.449 6.202 . . . 1.0 . . . . . . . . . . . . F . 52 ASP N . . . . . . . . . rr_1aot 1 . 1 . 835 . 1 1 52 ASP O O -35.375 -6.378 3.298 . . . 1.0 . . . . . . . . . . . . F . 52 ASP O . . . . . . . . . rr_1aot 1 . 1 . 836 . 1 1 52 ASP OD1 O -37.287 -7.151 6.131 . . . 1.0 . . . . . . . . . . . . F . 52 ASP OD1 . . . . . . . . . rr_1aot 1 . 1 . 837 . 1 1 52 ASP OD2 O -36.246 -8.173 4.546 . . . 1.0 . . . . . . . . . . . . F . 52 ASP OD2 . . . . . . . . . rr_1aot 1 . 1 . 838 . 1 1 53 MET C C -35.875 -2.758 1.377 . . . 1.0 . . . . . . . . . . . . F . 53 MET C . . . . . . . . . rr_1aot 1 . 1 . 839 . 1 1 53 MET CA C -36.018 -4.169 1.951 . . . 1.0 . . . . . . . . . . . . F . 53 MET CA . . . . . . . . . rr_1aot 1 . 1 . 840 . 1 1 53 MET CB C -37.473 -4.631 1.829 . . . 1.0 . . . . . . . . . . . . F . 53 MET CB . . . . . . . . . rr_1aot 1 . 1 . 841 . 1 1 53 MET CE C -38.024 -4.667 4.722 . . . 1.0 . . . . . . . . . . . . F . 53 MET CE . . . . . . . . . rr_1aot 1 . 1 . 842 . 1 1 53 MET CG C -38.415 -3.521 2.304 . . . 1.0 . . . . . . . . . . . . F . 53 MET CG . . . . . . . . . rr_1aot 1 . 1 . 843 . 1 1 53 MET H H -35.531 -3.371 3.882 . . . 1.0 . . . . . . . . . . . . F . 53 MET H . . . . . . . . . rr_1aot 1 . 1 . 844 . 1 1 53 MET HA H -35.388 -4.836 1.397 . . . 1.0 . . . . . . . . . . . . F . 53 MET HA . . . . . . . . . rr_1aot 1 . 1 . 845 . 1 1 53 MET HB2 H -37.689 -4.868 0.798 . . . 1.0 . . . . . . . . . . . . F . 53 MET HB2 . . . . . . . . . rr_1aot 1 . 1 . 846 . 1 1 53 MET HB3 H -37.621 -5.511 2.437 . . . 1.0 . . . . . . . . . . . . F . 53 MET HB3 . . . . . . . . . rr_1aot 1 . 1 . 847 . 1 1 53 MET HE1 H -37.271 -3.891 4.739 . . . 1.0 . . . . . . . . . . . . F . 53 MET HE1 . . . . . . . . . rr_1aot 1 . 1 . 848 . 1 1 53 MET HE2 H -38.372 -4.852 5.725 . . . 1.0 . . . . . . . . . . . . F . 53 MET HE2 . . . . . . . . . rr_1aot 1 . 1 . 849 . 1 1 53 MET HE3 H -37.603 -5.576 4.315 . . . 1.0 . . . . . . . . . . . . F . 53 MET HE3 . . . . . . . . . rr_1aot 1 . 1 . 850 . 1 1 53 MET HG2 H -37.837 -2.668 2.626 . . . 1.0 . . . . . . . . . . . . F . 53 MET HG2 . . . . . . . . . rr_1aot 1 . 1 . 851 . 1 1 53 MET HG3 H -39.067 -3.230 1.494 . . . 1.0 . . . . . . . . . . . . F . 53 MET HG3 . . . . . . . . . rr_1aot 1 . 1 . 852 . 1 1 53 MET N N -35.597 -4.198 3.374 . . . 1.0 . . . . . . . . . . . . F . 53 MET N . . . . . . . . . rr_1aot 1 . 1 . 853 . 1 1 53 MET O O -36.485 -2.426 0.380 . . . 1.0 . . . . . . . . . . . . F . 53 MET O . . . . . . . . . rr_1aot 1 . 1 . 854 . 1 1 53 MET SD S -39.407 -4.131 3.688 . . . 1.0 . . . . . . . . . . . . F . 53 MET SD . . . . . . . . . rr_1aot 1 . 1 . 855 . 1 1 54 LYS C C -33.853 0.228 2.212 . . . 1.0 . . . . . . . . . . . . F . 54 LYS C . . . . . . . . . rr_1aot 1 . 1 . 856 . 1 1 54 LYS CA C -34.923 -0.548 1.439 . . . 1.0 . . . . . . . . . . . . F . 54 LYS CA . . . . . . . . . rr_1aot 1 . 1 . 857 . 1 1 54 LYS CB C -36.258 0.191 1.536 . . . 1.0 . . . . . . . . . . . . F . 54 LYS CB . . . . . . . . . rr_1aot 1 . 1 . 858 . 1 1 54 LYS CD C -37.985 1.014 3.143 . . . 1.0 . . . . . . . . . . . . F . 54 LYS CD . . . . . . . . . rr_1aot 1 . 1 . 859 . 1 1 54 LYS CE C -39.261 0.237 3.472 . . . 1.0 . . . . . . . . . . . . F . 54 LYS CE . . . . . . . . . rr_1aot 1 . 1 . 860 . 1 1 54 LYS CG C -36.826 0.034 2.948 . . . 1.0 . . . . . . . . . . . . F . 54 LYS CG . . . . . . . . . rr_1aot 1 . 1 . 861 . 1 1 54 LYS H H -34.589 -2.193 2.780 . . . 1.0 . . . . . . . . . . . . F . 54 LYS H . . . . . . . . . rr_1aot 1 . 1 . 862 . 1 1 54 LYS HA H -34.630 -0.618 0.409 . . . 1.0 . . . . . . . . . . . . F . 54 LYS HA . . . . . . . . . rr_1aot 1 . 1 . 863 . 1 1 54 LYS HB2 H -36.105 1.239 1.324 . . . 1.0 . . . . . . . . . . . . F . 54 LYS HB2 . . . . . . . . . rr_1aot 1 . 1 . 864 . 1 1 54 LYS HB3 H -36.952 -0.223 0.820 . . . 1.0 . . . . . . . . . . . . F . 54 LYS HB3 . . . . . . . . . rr_1aot 1 . 1 . 865 . 1 1 54 LYS HD2 H -37.754 1.687 3.955 . . . 1.0 . . . . . . . . . . . . F . 54 LYS HD2 . . . . . . . . . rr_1aot 1 . 1 . 866 . 1 1 54 LYS HD3 H -38.133 1.582 2.236 . . . 1.0 . . . . . . . . . . . . F . 54 LYS HD3 . . . . . . . . . rr_1aot 1 . 1 . 867 . 1 1 54 LYS HE2 H -39.442 -0.500 2.703 . . . 1.0 . . . . . . . . . . . . F . 54 LYS HE2 . . . . . . . . . rr_1aot 1 . 1 . 868 . 1 1 54 LYS HE3 H -39.146 -0.258 4.425 . . . 1.0 . . . . . . . . . . . . F . 54 LYS HE3 . . . . . . . . . rr_1aot 1 . 1 . 869 . 1 1 54 LYS HG2 H -37.183 -0.976 3.082 . . . 1.0 . . . . . . . . . . . . F . 54 LYS HG2 . . . . . . . . . rr_1aot 1 . 1 . 870 . 1 1 54 LYS HG3 H -36.053 0.242 3.672 . . . 1.0 . . . . . . . . . . . . F . 54 LYS HG3 . . . . . . . . . rr_1aot 1 . 1 . 871 . 1 1 54 LYS HZ1 H -40.493 1.694 2.638 . . . 1.0 . . . . . . . . . . . . F . 54 LYS HZ1 . . . . . . . . . rr_1aot 1 . 1 . 872 . 1 1 54 LYS HZ2 H -41.289 0.644 3.711 . . . 1.0 . . . . . . . . . . . . F . 54 LYS HZ2 . . . . . . . . . rr_1aot 1 . 1 . 873 . 1 1 54 LYS HZ3 H -40.263 1.858 4.310 . . . 1.0 . . . . . . . . . . . . F . 54 LYS HZ3 . . . . . . . . . rr_1aot 1 . 1 . 874 . 1 1 54 LYS N N -35.078 -1.921 1.983 . . . 1.0 . . . . . . . . . . . . F . 54 LYS N . . . . . . . . . rr_1aot 1 . 1 . 875 . 1 1 54 LYS NZ N -40.413 1.180 3.538 . . . 1.0 . . . . . . . . . . . . F . 54 LYS NZ . . . . . . . . . rr_1aot 1 . 1 . 876 . 1 1 54 LYS O O -33.208 1.104 1.671 . . . 1.0 . . . . . . . . . . . . F . 54 LYS O . . . . . . . . . rr_1aot 1 . 1 . 877 . 1 1 55 GLY C C -33.320 1.315 5.450 . . . 1.0 . . . . . . . . . . . . F . 55 GLY C . . . . . . . . . rr_1aot 1 . 1 . 878 . 1 1 55 GLY CA C -32.648 0.678 4.241 . . . 1.0 . . . . . . . . . . . . F . 55 GLY CA . . . . . . . . . rr_1aot 1 . 1 . 879 . 1 1 55 GLY H H -34.182 -0.755 3.902 . . . 1.0 . . . . . . . . . . . . F . 55 GLY H . . . . . . . . . rr_1aot 1 . 1 . 880 . 1 1 55 GLY HA2 H -31.870 0.007 4.570 . . . 1.0 . . . . . . . . . . . . F . 55 GLY HA2 . . . . . . . . . rr_1aot 1 . 1 . 881 . 1 1 55 GLY HA3 H -32.228 1.440 3.619 . . . 1.0 . . . . . . . . . . . . F . 55 GLY HA3 . . . . . . . . . rr_1aot 1 . 1 . 882 . 1 1 55 GLY N N -33.661 -0.064 3.468 . . . 1.0 . . . . . . . . . . . . F . 55 GLY N . . . . . . . . . rr_1aot 1 . 1 . 883 . 1 1 55 GLY O O -34.435 0.983 5.798 . . . 1.0 . . . . . . . . . . . . F . 55 GLY O . . . . . . . . . rr_1aot 1 . 1 . 884 . 1 1 56 ASP C C -34.331 3.851 6.841 . . . 1.0 . . . . . . . . . . . . F . 56 ASP C . . . . . . . . . rr_1aot 1 . 1 . 885 . 1 1 56 ASP CA C -33.257 2.860 7.292 . . . 1.0 . . . . . . . . . . . . F . 56 ASP CA . . . . . . . . . rr_1aot 1 . 1 . 886 . 1 1 56 ASP CB C -32.171 3.602 8.072 . . . 1.0 . . . . . . . . . . . . F . 56 ASP CB . . . . . . . . . rr_1aot 1 . 1 . 887 . 1 1 56 ASP CG C -30.840 2.859 7.934 . . . 1.0 . . . . . . . . . . . . F . 56 ASP CG . . . . . . . . . rr_1aot 1 . 1 . 888 . 1 1 56 ASP H H -31.752 2.467 5.811 . . . 1.0 . . . . . . . . . . . . F . 56 ASP H . . . . . . . . . rr_1aot 1 . 1 . 889 . 1 1 56 ASP HA H -33.701 2.098 7.923 . . . 1.0 . . . . . . . . . . . . F . 56 ASP HA . . . . . . . . . rr_1aot 1 . 1 . 890 . 1 1 56 ASP HB2 H -32.067 4.603 7.681 . . . 1.0 . . . . . . . . . . . . F . 56 ASP HB2 . . . . . . . . . rr_1aot 1 . 1 . 891 . 1 1 56 ASP HB3 H -32.447 3.649 9.111 . . . 1.0 . . . . . . . . . . . . F . 56 ASP HB3 . . . . . . . . . rr_1aot 1 . 1 . 892 . 1 1 56 ASP N N -32.653 2.218 6.099 . . . 1.0 . . . . . . . . . . . . F . 56 ASP N . . . . . . . . . rr_1aot 1 . 1 . 893 . 1 1 56 ASP O O -34.470 4.139 5.669 . . . 1.0 . . . . . . . . . . . . F . 56 ASP O . . . . . . . . . rr_1aot 1 . 1 . 894 . 1 1 56 ASP OD1 O -30.612 1.943 8.708 . . . 1.0 . . . . . . . . . . . . F . 56 ASP OD1 . . . . . . . . . rr_1aot 1 . 1 . 895 . 1 1 56 ASP OD2 O -30.071 3.219 7.058 . . . 1.0 . . . . . . . . . . . . F . 56 ASP OD2 . . . . . . . . . rr_1aot 1 . 1 . 896 . 1 1 57 HIS C C -36.535 6.140 8.638 . . . 1.0 . . . . . . . . . . . . F . 57 HIS C . . . . . . . . . rr_1aot 1 . 1 . 897 . 1 1 57 HIS CA C -36.140 5.361 7.391 . . . 1.0 . . . . . . . . . . . . F . 57 HIS CA . . . . . . . . . rr_1aot 1 . 1 . 898 . 1 1 57 HIS CB C -37.366 4.633 6.840 . . . 1.0 . . . . . . . . . . . . F . 57 HIS CB . . . . . . . . . rr_1aot 1 . 1 . 899 . 1 1 57 HIS CD2 C -36.461 5.198 4.438 . . . 1.0 . . . . . . . . . . . . F . 57 HIS CD2 . . . . . . . . . rr_1aot 1 . 1 . 900 . 1 1 57 HIS CE1 C -37.796 3.933 3.293 . . . 1.0 . . . . . . . . . . . . F . 57 HIS CE1 . . . . . . . . . rr_1aot 1 . 1 . 901 . 1 1 57 HIS CG C -37.281 4.565 5.340 . . . 1.0 . . . . . . . . . . . . F . 57 HIS CG . . . . . . . . . rr_1aot 1 . 1 . 902 . 1 1 57 HIS H H -34.953 4.146 8.701 . . . 1.0 . . . . . . . . . . . . F . 57 HIS H . . . . . . . . . rr_1aot 1 . 1 . 903 . 1 1 57 HIS HA H -35.757 6.042 6.645 . . . 1.0 . . . . . . . . . . . . F . 57 HIS HA . . . . . . . . . rr_1aot 1 . 1 . 904 . 1 1 57 HIS HB2 H -37.404 3.636 7.246 . . . 1.0 . . . . . . . . . . . . F . 57 HIS HB2 . . . . . . . . . rr_1aot 1 . 1 . 905 . 1 1 57 HIS HB3 H -38.260 5.169 7.124 . . . 1.0 . . . . . . . . . . . . F . 57 HIS HB3 . . . . . . . . . rr_1aot 1 . 1 . 906 . 1 1 57 HIS HD1 H -38.831 3.180 4.933 . . . 1.0 . . . . . . . . . . . . F . 57 HIS HD1 . . . . . . . . . rr_1aot 1 . 1 . 907 . 1 1 57 HIS HD2 H -35.681 5.900 4.693 . . . 1.0 . . . . . . . . . . . . F . 57 HIS HD2 . . . . . . . . . rr_1aot 1 . 1 . 908 . 1 1 57 HIS HE1 H -38.288 3.432 2.472 . . . 1.0 . . . . . . . . . . . . F . 57 HIS HE1 . . . . . . . . . rr_1aot 1 . 1 . 909 . 1 1 57 HIS N N -35.085 4.383 7.761 . . . 1.0 . . . . . . . . . . . . F . 57 HIS N . . . . . . . . . rr_1aot 1 . 1 . 910 . 1 1 57 HIS ND1 N -38.124 3.763 4.587 . . . 1.0 . . . . . . . . . . . . F . 57 HIS ND1 . . . . . . . . . rr_1aot 1 . 1 . 911 . 1 1 57 HIS NE2 N -36.788 4.797 3.146 . . . 1.0 . . . . . . . . . . . . F . 57 HIS NE2 . . . . . . . . . rr_1aot 1 . 1 . 912 . 1 1 57 HIS O O -35.977 5.954 9.701 . . . 1.0 . . . . . . . . . . . . F . 57 HIS O . . . . . . . . . rr_1aot 1 . 1 . 913 . 1 1 58 VAL C C -39.302 8.387 9.471 . . . 1.0 . . . . . . . . . . . . F . 58 VAL C . . . . . . . . . rr_1aot 1 . 1 . 914 . 1 1 58 VAL CA C -37.905 7.802 9.704 . . . 1.0 . . . . . . . . . . . . F . 58 VAL CA . . . . . . . . . rr_1aot 1 . 1 . 915 . 1 1 58 VAL CB C -36.875 8.917 9.932 . . . 1.0 . . . . . . . . . . . . F . 58 VAL CB . . . . . . . . . rr_1aot 1 . 1 . 916 . 1 1 58 VAL CG1 C -37.538 10.157 10.545 . . . 1.0 . . . . . . . . . . . . F . 58 VAL CG1 . . . . . . . . . rr_1aot 1 . 1 . 917 . 1 1 58 VAL CG2 C -35.797 8.412 10.885 . . . 1.0 . . . . . . . . . . . . F . 58 VAL CG2 . . . . . . . . . rr_1aot 1 . 1 . 918 . 1 1 58 VAL H H -37.923 7.148 7.658 . . . 1.0 . . . . . . . . . . . . F . 58 VAL H . . . . . . . . . rr_1aot 1 . 1 . 919 . 1 1 58 VAL HA H -37.930 7.158 10.571 . . . 1.0 . . . . . . . . . . . . F . 58 VAL HA . . . . . . . . . rr_1aot 1 . 1 . 920 . 1 1 58 VAL HB H -36.419 9.174 8.988 . . . 1.0 . . . . . . . . . . . . F . 58 VAL HB . . . . . . . . . rr_1aot 1 . 1 . 921 . 1 1 58 VAL HG11 H -38.248 9.849 11.298 . . . 1.0 . . . . . . . . . . . . F . 58 VAL HG11 . . . . . . . . . rr_1aot 1 . 1 . 922 . 1 1 58 VAL HG12 H -36.783 10.783 10.997 . . . 1.0 . . . . . . . . . . . . F . 58 VAL HG12 . . . . . . . . . rr_1aot 1 . 1 . 923 . 1 1 58 VAL HG13 H -38.050 10.711 9.772 . . . 1.0 . . . . . . . . . . . . F . 58 VAL HG13 . . . . . . . . . rr_1aot 1 . 1 . 924 . 1 1 58 VAL HG21 H -36.262 7.872 11.696 . . . 1.0 . . . . . . . . . . . . F . 58 VAL HG21 . . . . . . . . . rr_1aot 1 . 1 . 925 . 1 1 58 VAL HG22 H -35.127 7.755 10.350 . . . 1.0 . . . . . . . . . . . . F . 58 VAL HG22 . . . . . . . . . rr_1aot 1 . 1 . 926 . 1 1 58 VAL HG23 H -35.242 9.252 11.279 . . . 1.0 . . . . . . . . . . . . F . 58 VAL HG23 . . . . . . . . . rr_1aot 1 . 1 . 927 . 1 1 58 VAL N N -37.488 7.012 8.521 . . . 1.0 . . . . . . . . . . . . F . 58 VAL N . . . . . . . . . rr_1aot 1 . 1 . 928 . 1 1 58 VAL O O -39.557 9.050 8.485 . . . 1.0 . . . . . . . . . . . . F . 58 VAL O . . . . . . . . . rr_1aot 1 . 1 . 929 . 1 1 59 LYS C C -41.706 9.895 11.200 . . . 1.0 . . . . . . . . . . . . F . 59 LYS C . . . . . . . . . rr_1aot 1 . 1 . 930 . 1 1 59 LYS CA C -41.572 8.707 10.254 . . . 1.0 . . . . . . . . . . . . F . 59 LYS CA . . . . . . . . . rr_1aot 1 . 1 . 931 . 1 1 59 LYS CB C -42.592 7.630 10.631 . . . 1.0 . . . . . . . . . . . . F . 59 LYS CB . . . . . . . . . rr_1aot 1 . 1 . 932 . 1 1 59 LYS CD C -44.138 6.221 9.266 . . . 1.0 . . . . . . . . . . . . F . 59 LYS CD . . . . . . . . . rr_1aot 1 . 1 . 933 . 1 1 59 LYS CE C -44.798 6.210 7.886 . . . 1.0 . . . . . . . . . . . . F . 59 LYS CE . . . . . . . . . rr_1aot 1 . 1 . 934 . 1 1 59 LYS CG C -43.754 7.655 9.636 . . . 1.0 . . . . . . . . . . . . F . 59 LYS CG . . . . . . . . . rr_1aot 1 . 1 . 935 . 1 1 59 LYS H H -39.956 7.632 11.179 . . . 1.0 . . . . . . . . . . . . F . 59 LYS H . . . . . . . . . rr_1aot 1 . 1 . 936 . 1 1 59 LYS HA H -41.743 9.032 9.239 . . . 1.0 . . . . . . . . . . . . F . 59 LYS HA . . . . . . . . . rr_1aot 1 . 1 . 937 . 1 1 59 LYS HB2 H -42.117 6.660 10.605 . . . 1.0 . . . . . . . . . . . . F . 59 LYS HB2 . . . . . . . . . rr_1aot 1 . 1 . 938 . 1 1 59 LYS HB3 H -42.965 7.821 11.626 . . . 1.0 . . . . . . . . . . . . F . 59 LYS HB3 . . . . . . . . . rr_1aot 1 . 1 . 939 . 1 1 59 LYS HD2 H -43.252 5.604 9.246 . . . 1.0 . . . . . . . . . . . . F . 59 LYS HD2 . . . . . . . . . rr_1aot 1 . 1 . 940 . 1 1 59 LYS HD3 H -44.830 5.833 9.999 . . . 1.0 . . . . . . . . . . . . F . 59 LYS HD3 . . . . . . . . . rr_1aot 1 . 1 . 941 . 1 1 59 LYS HE2 H -45.867 6.315 7.997 . . . 1.0 . . . . . . . . . . . . F . 59 LYS HE2 . . . . . . . . . rr_1aot 1 . 1 . 942 . 1 1 59 LYS HE3 H -44.416 7.031 7.297 . . . 1.0 . . . . . . . . . . . . F . 59 LYS HE3 . . . . . . . . . rr_1aot 1 . 1 . 943 . 1 1 59 LYS HG2 H -44.602 8.151 10.086 . . . 1.0 . . . . . . . . . . . . F . 59 LYS HG2 . . . . . . . . . rr_1aot 1 . 1 . 944 . 1 1 59 LYS HG3 H -43.455 8.189 8.747 . . . 1.0 . . . . . . . . . . . . F . 59 LYS HG3 . . . . . . . . . rr_1aot 1 . 1 . 945 . 1 1 59 LYS HZ1 H -43.949 4.310 7.838 . . . 1.0 . . . . . . . . . . . . F . 59 LYS HZ1 . . . . . . . . . rr_1aot 1 . 1 . 946 . 1 1 59 LYS HZ2 H -45.382 4.448 6.942 . . . 1.0 . . . . . . . . . . . . F . 59 LYS HZ2 . . . . . . . . . rr_1aot 1 . 1 . 947 . 1 1 59 LYS HZ3 H -43.938 5.111 6.340 . . . 1.0 . . . . . . . . . . . . F . 59 LYS HZ3 . . . . . . . . . rr_1aot 1 . 1 . 948 . 1 1 59 LYS N N -40.196 8.157 10.388 . . . 1.0 . . . . . . . . . . . . F . 59 LYS N . . . . . . . . . rr_1aot 1 . 1 . 949 . 1 1 59 LYS NZ N -44.494 4.923 7.200 . . . 1.0 . . . . . . . . . . . . F . 59 LYS NZ . . . . . . . . . rr_1aot 1 . 1 . 950 . 1 1 59 LYS O O -40.729 10.394 11.718 . . . 1.0 . . . . . . . . . . . . F . 59 LYS O . . . . . . . . . rr_1aot 1 . 1 . 951 . 1 1 60 HIS C C -44.493 11.569 12.887 . . . 1.0 . . . . . . . . . . . . F . 60 HIS C . . . . . . . . . rr_1aot 1 . 1 . 952 . 1 1 60 HIS CA C -43.060 11.512 12.366 . . . 1.0 . . . . . . . . . . . . F . 60 HIS CA . . . . . . . . . rr_1aot 1 . 1 . 953 . 1 1 60 HIS CB C -42.746 12.825 11.646 . . . 1.0 . . . . . . . . . . . . F . 60 HIS CB . . . . . . . . . rr_1aot 1 . 1 . 954 . 1 1 60 HIS CD2 C -41.526 12.327 9.372 . . . 1.0 . . . . . . . . . . . . F . 60 HIS CD2 . . . . . . . . . rr_1aot 1 . 1 . 955 . 1 1 60 HIS CE1 C -39.482 12.539 10.061 . . . 1.0 . . . . . . . . . . . . F . 60 HIS CE1 . . . . . . . . . rr_1aot 1 . 1 . 956 . 1 1 60 HIS CG C -41.586 12.635 10.709 . . . 1.0 . . . . . . . . . . . . F . 60 HIS CG . . . . . . . . . rr_1aot 1 . 1 . 957 . 1 1 60 HIS H H -43.678 9.946 11.012 . . . 1.0 . . . . . . . . . . . . F . 60 HIS H . . . . . . . . . rr_1aot 1 . 1 . 958 . 1 1 60 HIS HA H -42.385 11.394 13.200 . . . 1.0 . . . . . . . . . . . . F . 60 HIS HA . . . . . . . . . rr_1aot 1 . 1 . 959 . 1 1 60 HIS HB2 H -43.614 13.142 11.091 . . . 1.0 . . . . . . . . . . . . F . 60 HIS HB2 . . . . . . . . . rr_1aot 1 . 1 . 960 . 1 1 60 HIS HB3 H -42.494 13.580 12.377 . . . 1.0 . . . . . . . . . . . . F . 60 HIS HB3 . . . . . . . . . rr_1aot 1 . 1 . 961 . 1 1 60 HIS HD1 H -39.971 12.984 12.033 . . . 1.0 . . . . . . . . . . . . F . 60 HIS HD1 . . . . . . . . . rr_1aot 1 . 1 . 962 . 1 1 60 HIS HD2 H -42.380 12.157 8.734 . . . 1.0 . . . . . . . . . . . . F . 60 HIS HD2 . . . . . . . . . rr_1aot 1 . 1 . 963 . 1 1 60 HIS HE1 H -38.403 12.574 10.088 . . . 1.0 . . . . . . . . . . . . F . 60 HIS HE1 . . . . . . . . . rr_1aot 1 . 1 . 964 . 1 1 60 HIS N N -42.897 10.357 11.438 . . . 1.0 . . . . . . . . . . . . F . 60 HIS N . . . . . . . . . rr_1aot 1 . 1 . 965 . 1 1 60 HIS ND1 N -40.271 12.766 11.126 . . . 1.0 . . . . . . . . . . . . F . 60 HIS ND1 . . . . . . . . . rr_1aot 1 . 1 . 966 . 1 1 60 HIS NE2 N -40.196 12.267 8.965 . . . 1.0 . . . . . . . . . . . . F . 60 HIS NE2 . . . . . . . . . rr_1aot 1 . 1 . 967 . 1 1 60 HIS O O -45.431 11.184 12.218 . . . 1.0 . . . . . . . . . . . . F . 60 HIS O . . . . . . . . . rr_1aot 1 . 1 . 968 . 1 1 61 TYR C C -46.219 13.613 15.167 . . . 1.0 . . . . . . . . . . . . F . 61 TYR C . . . . . . . . . rr_1aot 1 . 1 . 969 . 1 1 61 TYR CA C -46.024 12.182 14.661 . . . 1.0 . . . . . . . . . . . . F . 61 TYR CA . . . . . . . . . rr_1aot 1 . 1 . 970 . 1 1 61 TYR CB C -46.176 11.191 15.819 . . . 1.0 . . . . . . . . . . . . F . 61 TYR CB . . . . . . . . . rr_1aot 1 . 1 . 971 . 1 1 61 TYR CD1 C -45.525 8.941 14.888 . . . 1.0 . . . . . . . . . . . . F . 61 TYR CD1 . . . . . . . . . rr_1aot 1 . 1 . 972 . 1 1 61 TYR CD2 C -47.879 9.461 15.144 . . . 1.0 . . . . . . . . . . . . F . 61 TYR CD2 . . . . . . . . . rr_1aot 1 . 1 . 973 . 1 1 61 TYR CE1 C -45.859 7.681 14.378 . . . 1.0 . . . . . . . . . . . . F . 61 TYR CE1 . . . . . . . . . rr_1aot 1 . 1 . 974 . 1 1 61 TYR CE2 C -48.214 8.201 14.634 . . . 1.0 . . . . . . . . . . . . F . 61 TYR CE2 . . . . . . . . . rr_1aot 1 . 1 . 975 . 1 1 61 TYR CG C -46.535 9.831 15.270 . . . 1.0 . . . . . . . . . . . . F . 61 TYR CG . . . . . . . . . rr_1aot 1 . 1 . 976 . 1 1 61 TYR CZ C -47.203 7.311 14.251 . . . 1.0 . . . . . . . . . . . . F . 61 TYR CZ . . . . . . . . . rr_1aot 1 . 1 . 977 . 1 1 61 TYR H H -43.882 12.380 14.584 . . . 1.0 . . . . . . . . . . . . F . 61 TYR H . . . . . . . . . rr_1aot 1 . 1 . 978 . 1 1 61 TYR HA H -46.760 11.967 13.899 . . . 1.0 . . . . . . . . . . . . F . 61 TYR HA . . . . . . . . . rr_1aot 1 . 1 . 979 . 1 1 61 TYR HB2 H -45.246 11.125 16.362 . . . 1.0 . . . . . . . . . . . . F . 61 TYR HB2 . . . . . . . . . rr_1aot 1 . 1 . 980 . 1 1 61 TYR HB3 H -46.959 11.527 16.483 . . . 1.0 . . . . . . . . . . . . F . 61 TYR HB3 . . . . . . . . . rr_1aot 1 . 1 . 981 . 1 1 61 TYR HD1 H -44.488 9.227 14.985 . . . 1.0 . . . . . . . . . . . . F . 61 TYR HD1 . . . . . . . . . rr_1aot 1 . 1 . 982 . 1 1 61 TYR HD2 H -48.659 10.149 15.440 . . . 1.0 . . . . . . . . . . . . F . 61 TYR HD2 . . . . . . . . . rr_1aot 1 . 1 . 983 . 1 1 61 TYR HE1 H -45.080 6.994 14.083 . . . 1.0 . . . . . . . . . . . . F . 61 TYR HE1 . . . . . . . . . rr_1aot 1 . 1 . 984 . 1 1 61 TYR HE2 H -49.251 7.916 14.537 . . . 1.0 . . . . . . . . . . . . F . 61 TYR HE2 . . . . . . . . . rr_1aot 1 . 1 . 985 . 1 1 61 TYR HH H -46.760 5.716 13.300 . . . 1.0 . . . . . . . . . . . . F . 61 TYR HH . . . . . . . . . rr_1aot 1 . 1 . 986 . 1 1 61 TYR N N -44.660 12.067 14.077 . . . 1.0 . . . . . . . . . . . . F . 61 TYR N . . . . . . . . . rr_1aot 1 . 1 . 987 . 1 1 61 TYR O O -45.857 13.947 16.278 . . . 1.0 . . . . . . . . . . . . F . 61 TYR O . . . . . . . . . rr_1aot 1 . 1 . 988 . 1 1 61 TYR OH O -47.533 6.069 13.748 . . . 1.0 . . . . . . . . . . . . F . 61 TYR OH . . . . . . . . . rr_1aot 1 . 1 . 989 . 1 1 62 LYS C C -47.690 15.938 16.110 . . . 1.0 . . . . . . . . . . . . F . 62 LYS C . . . . . . . . . rr_1aot 1 . 1 . 990 . 1 1 62 LYS CA C -46.984 15.880 14.756 . . . 1.0 . . . . . . . . . . . . F . 62 LYS CA . . . . . . . . . rr_1aot 1 . 1 . 991 . 1 1 62 LYS CB C -47.838 16.587 13.702 . . . 1.0 . . . . . . . . . . . . F . 62 LYS CB . . . . . . . . . rr_1aot 1 . 1 . 992 . 1 1 62 LYS CD C -49.418 18.273 14.649 . . . 1.0 . . . . . . . . . . . . F . 62 LYS CD . . . . . . . . . rr_1aot 1 . 1 . 993 . 1 1 62 LYS CE C -50.424 18.353 13.498 . . . 1.0 . . . . . . . . . . . . F . 62 LYS CE . . . . . . . . . rr_1aot 1 . 1 . 994 . 1 1 62 LYS CG C -48.014 18.057 14.082 . . . 1.0 . . . . . . . . . . . . F . 62 LYS CG . . . . . . . . . rr_1aot 1 . 1 . 995 . 1 1 62 LYS H H -47.045 14.170 13.453 . . . 1.0 . . . . . . . . . . . . F . 62 LYS H . . . . . . . . . rr_1aot 1 . 1 . 996 . 1 1 62 LYS HA H -46.027 16.375 14.830 . . . 1.0 . . . . . . . . . . . . F . 62 LYS HA . . . . . . . . . rr_1aot 1 . 1 . 997 . 1 1 62 LYS HB2 H -47.347 16.524 12.746 . . . 1.0 . . . . . . . . . . . . F . 62 LYS HB2 . . . . . . . . . rr_1aot 1 . 1 . 998 . 1 1 62 LYS HB3 H -48.805 16.111 13.642 . . . 1.0 . . . . . . . . . . . . F . 62 LYS HB3 . . . . . . . . . rr_1aot 1 . 1 . 999 . 1 1 62 LYS HD2 H -49.676 17.449 15.296 . . . 1.0 . . . . . . . . . . . . F . 62 LYS HD2 . . . . . . . . . rr_1aot 1 . 1 . 1000 . 1 1 62 LYS HD3 H -49.442 19.195 15.212 . . . 1.0 . . . . . . . . . . . . F . 62 LYS HD3 . . . . . . . . . rr_1aot 1 . 1 . 1001 . 1 1 62 LYS HE2 H -50.681 19.386 13.316 . . . 1.0 . . . . . . . . . . . . F . 62 LYS HE2 . . . . . . . . . rr_1aot 1 . 1 . 1002 . 1 1 62 LYS HE3 H -49.986 17.928 12.607 . . . 1.0 . . . . . . . . . . . . F . 62 LYS HE3 . . . . . . . . . rr_1aot 1 . 1 . 1003 . 1 1 62 LYS HG2 H -47.279 18.328 14.825 . . . 1.0 . . . . . . . . . . . . F . 62 LYS HG2 . . . . . . . . . rr_1aot 1 . 1 . 1004 . 1 1 62 LYS HG3 H -47.882 18.672 13.203 . . . 1.0 . . . . . . . . . . . . F . 62 LYS HG3 . . . . . . . . . rr_1aot 1 . 1 . 1005 . 1 1 62 LYS HZ1 H -51.579 17.262 14.844 . . . 1.0 . . . . . . . . . . . . F . 62 LYS HZ1 . . . . . . . . . rr_1aot 1 . 1 . 1006 . 1 1 62 LYS HZ2 H -52.485 18.206 13.760 . . . 1.0 . . . . . . . . . . . . F . 62 LYS HZ2 . . . . . . . . . rr_1aot 1 . 1 . 1007 . 1 1 62 LYS HZ3 H -51.752 16.772 13.226 . . . 1.0 . . . . . . . . . . . . F . 62 LYS HZ3 . . . . . . . . . rr_1aot 1 . 1 . 1008 . 1 1 62 LYS N N -46.775 14.463 14.347 . . . 1.0 . . . . . . . . . . . . F . 62 LYS N . . . . . . . . . rr_1aot 1 . 1 . 1009 . 1 1 62 LYS NZ N -51.653 17.591 13.859 . . . 1.0 . . . . . . . . . . . . F . 62 LYS NZ . . . . . . . . . rr_1aot 1 . 1 . 1010 . 1 1 62 LYS O O -48.802 15.474 16.265 . . . 1.0 . . . . . . . . . . . . F . 62 LYS O . . . . . . . . . rr_1aot 1 . 1 . 1011 . 1 1 63 ILE C C -48.469 17.919 18.528 . . . 1.0 . . . . . . . . . . . . F . 63 ILE C . . . . . . . . . rr_1aot 1 . 1 . 1012 . 1 1 63 ILE CA C -47.676 16.613 18.436 . . . 1.0 . . . . . . . . . . . . F . 63 ILE CA . . . . . . . . . rr_1aot 1 . 1 . 1013 . 1 1 63 ILE CB C -46.579 16.595 19.512 . . . 1.0 . . . . . . . . . . . . F . 63 ILE CB . . . . . . . . . rr_1aot 1 . 1 . 1014 . 1 1 63 ILE CD1 C -44.717 14.931 19.543 . . . 1.0 . . . . . . . . . . . . F . 63 ILE CD1 . . . . . . . . . rr_1aot 1 . 1 . 1015 . 1 1 63 ILE CG1 C -46.202 15.146 19.826 . . . 1.0 . . . . . . . . . . . . F . 63 ILE CG1 . . . . . . . . . rr_1aot 1 . 1 . 1016 . 1 1 63 ILE CG2 C -47.079 17.265 20.798 . . . 1.0 . . . . . . . . . . . . F . 63 ILE CG2 . . . . . . . . . rr_1aot 1 . 1 . 1017 . 1 1 63 ILE H H -46.155 16.882 16.938 . . . 1.0 . . . . . . . . . . . . F . 63 ILE H . . . . . . . . . rr_1aot 1 . 1 . 1018 . 1 1 63 ILE HA H -48.341 15.777 18.587 . . . 1.0 . . . . . . . . . . . . F . 63 ILE HA . . . . . . . . . rr_1aot 1 . 1 . 1019 . 1 1 63 ILE HB H -45.712 17.124 19.146 . . . 1.0 . . . . . . . . . . . . F . 63 ILE HB . . . . . . . . . rr_1aot 1 . 1 . 1020 . 1 1 63 ILE HD11 H -44.231 15.888 19.424 . . . 1.0 . . . . . . . . . . . . F . 63 ILE HD11 . . . . . . . . . rr_1aot 1 . 1 . 1021 . 1 1 63 ILE HD12 H -44.267 14.398 20.368 . . . 1.0 . . . . . . . . . . . . F . 63 ILE HD12 . . . . . . . . . rr_1aot 1 . 1 . 1022 . 1 1 63 ILE HD13 H -44.605 14.355 18.638 . . . 1.0 . . . . . . . . . . . . F . 63 ILE HD13 . . . . . . . . . rr_1aot 1 . 1 . 1023 . 1 1 63 ILE HG12 H -46.402 14.941 20.867 . . . 1.0 . . . . . . . . . . . . F . 63 ILE HG12 . . . . . . . . . rr_1aot 1 . 1 . 1024 . 1 1 63 ILE HG13 H -46.786 14.480 19.209 . . . 1.0 . . . . . . . . . . . . F . 63 ILE HG13 . . . . . . . . . rr_1aot 1 . 1 . 1025 . 1 1 63 ILE HG21 H -47.979 16.772 21.135 . . . 1.0 . . . . . . . . . . . . F . 63 ILE HG21 . . . . . . . . . rr_1aot 1 . 1 . 1026 . 1 1 63 ILE HG22 H -46.319 17.191 21.562 . . . 1.0 . . . . . . . . . . . . F . 63 ILE HG22 . . . . . . . . . rr_1aot 1 . 1 . 1027 . 1 1 63 ILE HG23 H -47.292 18.306 20.601 . . . 1.0 . . . . . . . . . . . . F . 63 ILE HG23 . . . . . . . . . rr_1aot 1 . 1 . 1028 . 1 1 63 ILE N N -47.049 16.513 17.090 . . . 1.0 . . . . . . . . . . . . F . 63 ILE N . . . . . . . . . rr_1aot 1 . 1 . 1029 . 1 1 63 ILE O O -48.031 18.958 18.076 . . . 1.0 . . . . . . . . . . . . F . 63 ILE O . . . . . . . . . rr_1aot 1 . 1 . 1030 . 1 1 64 ARG C C -50.442 19.499 20.751 . . . 1.0 . . . . . . . . . . . . F . 64 ARG C . . . . . . . . . rr_1aot 1 . 1 . 1031 . 1 1 64 ARG CA C -50.436 19.107 19.277 . . . 1.0 . . . . . . . . . . . . F . 64 ARG CA . . . . . . . . . rr_1aot 1 . 1 . 1032 . 1 1 64 ARG CB C -51.868 18.843 18.809 . . . 1.0 . . . . . . . . . . . . F . 64 ARG CB . . . . . . . . . rr_1aot 1 . 1 . 1033 . 1 1 64 ARG CD C -51.214 20.001 16.694 . . . 1.0 . . . . . . . . . . . . F . 64 ARG CD . . . . . . . . . rr_1aot 1 . 1 . 1034 . 1 1 64 ARG CG C -52.278 19.907 17.789 . . . 1.0 . . . . . . . . . . . . F . 64 ARG CG . . . . . . . . . rr_1aot 1 . 1 . 1035 . 1 1 64 ARG CZ C -52.346 21.601 15.268 . . . 1.0 . . . . . . . . . . . . F . 64 ARG CZ . . . . . . . . . rr_1aot 1 . 1 . 1036 . 1 1 64 ARG H H -49.946 17.026 19.501 . . . 1.0 . . . . . . . . . . . . F . 64 ARG H . . . . . . . . . rr_1aot 1 . 1 . 1037 . 1 1 64 ARG HA H -50.000 19.903 18.691 . . . 1.0 . . . . . . . . . . . . F . 64 ARG HA . . . . . . . . . rr_1aot 1 . 1 . 1038 . 1 1 64 ARG HB2 H -51.925 17.865 18.354 . . . 1.0 . . . . . . . . . . . . F . 64 ARG HB2 . . . . . . . . . rr_1aot 1 . 1 . 1039 . 1 1 64 ARG HB3 H -52.532 18.885 19.657 . . . 1.0 . . . . . . . . . . . . F . 64 ARG HB3 . . . . . . . . . rr_1aot 1 . 1 . 1040 . 1 1 64 ARG HD2 H -50.476 20.739 16.972 . . . 1.0 . . . . . . . . . . . . F . 64 ARG HD2 . . . . . . . . . rr_1aot 1 . 1 . 1041 . 1 1 64 ARG HD3 H -50.735 19.041 16.574 . . . 1.0 . . . . . . . . . . . . F . 64 ARG HD3 . . . . . . . . . rr_1aot 1 . 1 . 1042 . 1 1 64 ARG HE H -51.915 19.757 14.672 . . . 1.0 . . . . . . . . . . . . F . 64 ARG HE . . . . . . . . . rr_1aot 1 . 1 . 1043 . 1 1 64 ARG HG2 H -53.226 19.636 17.348 . . . 1.0 . . . . . . . . . . . . F . 64 ARG HG2 . . . . . . . . . rr_1aot 1 . 1 . 1044 . 1 1 64 ARG HG3 H -52.371 20.863 18.283 . . . 1.0 . . . . . . . . . . . . F . 64 ARG HG3 . . . . . . . . . rr_1aot 1 . 1 . 1045 . 1 1 64 ARG HH11 H -51.468 22.321 16.917 . . . 1.0 . . . . . . . . . . . . F . 64 ARG HH11 . . . . . . . . . rr_1aot 1 . 1 . 1046 . 1 1 64 ARG HH12 H -52.436 23.450 16.029 . . . 1.0 . . . . . . . . . . . . F . 64 ARG HH12 . . . . . . . . . rr_1aot 1 . 1 . 1047 . 1 1 64 ARG HH21 H -53.339 21.163 13.585 . . . 1.0 . . . . . . . . . . . . F . 64 ARG HH21 . . . . . . . . . rr_1aot 1 . 1 . 1048 . 1 1 64 ARG HH22 H -53.495 22.795 14.144 . . . 1.0 . . . . . . . . . . . . F . 64 ARG HH22 . . . . . . . . . rr_1aot 1 . 1 . 1049 . 1 1 64 ARG N N -49.622 17.872 19.129 . . . 1.0 . . . . . . . . . . . . F . 64 ARG N . . . . . . . . . rr_1aot 1 . 1 . 1050 . 1 1 64 ARG NE N -51.858 20.399 15.410 . . . 1.0 . . . . . . . . . . . . F . 64 ARG NE . . . . . . . . . rr_1aot 1 . 1 . 1051 . 1 1 64 ARG NH1 N -52.061 22.530 16.139 . . . 1.0 . . . . . . . . . . . . F . 64 ARG NH1 . . . . . . . . . rr_1aot 1 . 1 . 1052 . 1 1 64 ARG NH2 N -53.121 21.874 14.253 . . . 1.0 . . . . . . . . . . . . F . 64 ARG NH2 . . . . . . . . . rr_1aot 1 . 1 . 1053 . 1 1 64 ARG O O -49.809 18.861 21.569 . . . 1.0 . . . . . . . . . . . . F . 64 ARG O . . . . . . . . . rr_1aot 1 . 1 . 1054 . 1 1 65 LYS C C -52.431 21.720 22.852 . . . 1.0 . . . . . . . . . . . . F . 65 LYS C . . . . . . . . . rr_1aot 1 . 1 . 1055 . 1 1 65 LYS CA C -51.161 20.935 22.540 . . . 1.0 . . . . . . . . . . . . F . 65 LYS CA . . . . . . . . . rr_1aot 1 . 1 . 1056 . 1 1 65 LYS CB C -49.940 21.805 22.840 . . . 1.0 . . . . . . . . . . . . F . 65 LYS CB . . . . . . . . . rr_1aot 1 . 1 . 1057 . 1 1 65 LYS CD C -49.006 23.451 24.472 . . . 1.0 . . . . . . . . . . . . F . 65 LYS CD . . . . . . . . . rr_1aot 1 . 1 . 1058 . 1 1 65 LYS CE C -49.601 24.527 25.382 . . . 1.0 . . . . . . . . . . . . F . 65 LYS CE . . . . . . . . . rr_1aot 1 . 1 . 1059 . 1 1 65 LYS CG C -50.026 22.327 24.276 . . . 1.0 . . . . . . . . . . . . F . 65 LYS CG . . . . . . . . . rr_1aot 1 . 1 . 1060 . 1 1 65 LYS H H -51.651 21.044 20.443 . . . 1.0 . . . . . . . . . . . . F . 65 LYS H . . . . . . . . . rr_1aot 1 . 1 . 1061 . 1 1 65 LYS HA H -51.131 20.050 23.158 . . . 1.0 . . . . . . . . . . . . F . 65 LYS HA . . . . . . . . . rr_1aot 1 . 1 . 1062 . 1 1 65 LYS HB2 H -49.042 21.216 22.724 . . . 1.0 . . . . . . . . . . . . F . 65 LYS HB2 . . . . . . . . . rr_1aot 1 . 1 . 1063 . 1 1 65 LYS HB3 H -49.915 22.639 22.155 . . . 1.0 . . . . . . . . . . . . F . 65 LYS HB3 . . . . . . . . . rr_1aot 1 . 1 . 1064 . 1 1 65 LYS HD2 H -48.111 23.050 24.925 . . . 1.0 . . . . . . . . . . . . F . 65 LYS HD2 . . . . . . . . . rr_1aot 1 . 1 . 1065 . 1 1 65 LYS HD3 H -48.760 23.885 23.514 . . . 1.0 . . . . . . . . . . . . F . 65 LYS HD3 . . . . . . . . . rr_1aot 1 . 1 . 1066 . 1 1 65 LYS HE2 H -50.678 24.507 25.306 . . . 1.0 . . . . . . . . . . . . F . 65 LYS HE2 . . . . . . . . . rr_1aot 1 . 1 . 1067 . 1 1 65 LYS HE3 H -49.308 24.336 26.404 . . . 1.0 . . . . . . . . . . . . F . 65 LYS HE3 . . . . . . . . . rr_1aot 1 . 1 . 1068 . 1 1 65 LYS HG2 H -51.020 22.708 24.461 . . . 1.0 . . . . . . . . . . . . F . 65 LYS HG2 . . . . . . . . . rr_1aot 1 . 1 . 1069 . 1 1 65 LYS HG3 H -49.814 21.524 24.965 . . . 1.0 . . . . . . . . . . . . F . 65 LYS HG3 . . . . . . . . . rr_1aot 1 . 1 . 1070 . 1 1 65 LYS HZ1 H -49.033 25.904 23.926 . . . 1.0 . . . . . . . . . . . . F . 65 LYS HZ1 . . . . . . . . . rr_1aot 1 . 1 . 1071 . 1 1 65 LYS HZ2 H -49.753 26.602 25.298 . . . 1.0 . . . . . . . . . . . . F . 65 LYS HZ2 . . . . . . . . . rr_1aot 1 . 1 . 1072 . 1 1 65 LYS HZ3 H -48.156 26.026 25.373 . . . 1.0 . . . . . . . . . . . . F . 65 LYS HZ3 . . . . . . . . . rr_1aot 1 . 1 . 1073 . 1 1 65 LYS N N -51.143 20.534 21.109 . . . 1.0 . . . . . . . . . . . . F . 65 LYS N . . . . . . . . . rr_1aot 1 . 1 . 1074 . 1 1 65 LYS NZ N -49.097 25.866 24.963 . . . 1.0 . . . . . . . . . . . . F . 65 LYS NZ . . . . . . . . . rr_1aot 1 . 1 . 1075 . 1 1 65 LYS O O -52.789 22.651 22.159 . . . 1.0 . . . . . . . . . . . . F . 65 LYS O . . . . . . . . . rr_1aot 1 . 1 . 1076 . 1 1 66 LEU C C -53.968 23.443 24.860 . . . 1.0 . . . . . . . . . . . . F . 66 LEU C . . . . . . . . . rr_1aot 1 . 1 . 1077 . 1 1 66 LEU CA C -54.348 22.087 24.282 . . . 1.0 . . . . . . . . . . . . F . 66 LEU CA . . . . . . . . . rr_1aot 1 . 1 . 1078 . 1 1 66 LEU CB C -55.119 21.296 25.346 . . . 1.0 . . . . . . . . . . . . F . 66 LEU CB . . . . . . . . . rr_1aot 1 . 1 . 1079 . 1 1 66 LEU CD1 C -56.500 20.531 23.385 . . . 1.0 . . . . . . . . . . . . F . 66 LEU CD1 . . . . . . . . . rr_1aot 1 . 1 . 1080 . 1 1 66 LEU CD2 C -54.896 18.966 24.465 . . . 1.0 . . . . . . . . . . . . F . 66 LEU CD2 . . . . . . . . . rr_1aot 1 . 1 . 1081 . 1 1 66 LEU CG C -55.869 20.116 24.714 . . . 1.0 . . . . . . . . . . . . F . 66 LEU CG . . . . . . . . . rr_1aot 1 . 1 . 1082 . 1 1 66 LEU H H -52.788 20.606 24.455 . . . 1.0 . . . . . . . . . . . . F . 66 LEU H . . . . . . . . . rr_1aot 1 . 1 . 1083 . 1 1 66 LEU HA H -54.968 22.236 23.418 . . . 1.0 . . . . . . . . . . . . F . 66 LEU HA . . . . . . . . . rr_1aot 1 . 1 . 1084 . 1 1 66 LEU HB2 H -54.425 20.922 26.084 . . . 1.0 . . . . . . . . . . . . F . 66 LEU HB2 . . . . . . . . . rr_1aot 1 . 1 . 1085 . 1 1 66 LEU HB3 H -55.831 21.951 25.829 . . . 1.0 . . . . . . . . . . . . F . 66 LEU HB3 . . . . . . . . . rr_1aot 1 . 1 . 1086 . 1 1 66 LEU HD11 H -56.713 21.590 23.401 . . . 1.0 . . . . . . . . . . . . F . 66 LEU HD11 . . . . . . . . . rr_1aot 1 . 1 . 1087 . 1 1 66 LEU HD12 H -55.813 20.312 22.580 . . . 1.0 . . . . . . . . . . . . F . 66 LEU HD12 . . . . . . . . . rr_1aot 1 . 1 . 1088 . 1 1 66 LEU HD13 H -57.417 19.981 23.235 . . . 1.0 . . . . . . . . . . . . F . 66 LEU HD13 . . . . . . . . . rr_1aot 1 . 1 . 1089 . 1 1 66 LEU HD21 H -54.043 19.331 23.914 . . . 1.0 . . . . . . . . . . . . F . 66 LEU HD21 . . . . . . . . . rr_1aot 1 . 1 . 1090 . 1 1 66 LEU HD22 H -54.570 18.558 25.408 . . . 1.0 . . . . . . . . . . . . F . 66 LEU HD22 . . . . . . . . . rr_1aot 1 . 1 . 1091 . 1 1 66 LEU HD23 H -55.391 18.196 23.891 . . . 1.0 . . . . . . . . . . . . F . 66 LEU HD23 . . . . . . . . . rr_1aot 1 . 1 . 1092 . 1 1 66 LEU HG H -56.643 19.787 25.390 . . . 1.0 . . . . . . . . . . . . F . 66 LEU HG . . . . . . . . . rr_1aot 1 . 1 . 1093 . 1 1 66 LEU N N -53.106 21.356 23.905 . . . 1.0 . . . . . . . . . . . . F . 66 LEU N . . . . . . . . . rr_1aot 1 . 1 . 1094 . 1 1 66 LEU O O -52.962 23.586 25.525 . . . 1.0 . . . . . . . . . . . . F . 66 LEU O . . . . . . . . . rr_1aot 1 . 1 . 1095 . 1 1 67 ASP C C -54.702 25.702 26.700 . . . 1.0 . . . . . . . . . . . . F . 67 ASP C . . . . . . . . . rr_1aot 1 . 1 . 1096 . 1 1 67 ASP CA C -54.467 25.774 25.197 . . . 1.0 . . . . . . . . . . . . F . 67 ASP CA . . . . . . . . . rr_1aot 1 . 1 . 1097 . 1 1 67 ASP CB C -55.396 26.815 24.582 . . . 1.0 . . . . . . . . . . . . F . 67 ASP CB . . . . . . . . . rr_1aot 1 . 1 . 1098 . 1 1 67 ASP CG C -54.600 27.721 23.640 . . . 1.0 . . . . . . . . . . . . F . 67 ASP CG . . . . . . . . . rr_1aot 1 . 1 . 1099 . 1 1 67 ASP H H -55.588 24.301 24.104 . . . 1.0 . . . . . . . . . . . . F . 67 ASP H . . . . . . . . . rr_1aot 1 . 1 . 1100 . 1 1 67 ASP HA H -53.438 26.028 25.000 . . . 1.0 . . . . . . . . . . . . F . 67 ASP HA . . . . . . . . . rr_1aot 1 . 1 . 1101 . 1 1 67 ASP HB2 H -56.174 26.313 24.030 . . . 1.0 . . . . . . . . . . . . F . 67 ASP HB2 . . . . . . . . . rr_1aot 1 . 1 . 1102 . 1 1 67 ASP HB3 H -55.839 27.409 25.368 . . . 1.0 . . . . . . . . . . . . F . 67 ASP HB3 . . . . . . . . . rr_1aot 1 . 1 . 1103 . 1 1 67 ASP N N -54.773 24.438 24.630 . . . 1.0 . . . . . . . . . . . . F . 67 ASP N . . . . . . . . . rr_1aot 1 . 1 . 1104 . 1 1 67 ASP O O -54.219 26.515 27.463 . . . 1.0 . . . . . . . . . . . . F . 67 ASP O . . . . . . . . . rr_1aot 1 . 1 . 1105 . 1 1 67 ASP OD1 O -53.503 27.339 23.269 . . . 1.0 . . . . . . . . . . . . F . 67 ASP OD1 . . . . . . . . . rr_1aot 1 . 1 . 1106 . 1 1 67 ASP OD2 O -55.102 28.782 23.306 . . . 1.0 . . . . . . . . . . . . F . 67 ASP OD2 . . . . . . . . . rr_1aot 1 . 1 . 1107 . 1 1 68 ASN C C -54.540 23.761 29.192 . . . 1.0 . . . . . . . . . . . . F . 68 ASN C . . . . . . . . . rr_1aot 1 . 1 . 1108 . 1 1 68 ASN CA C -55.698 24.543 28.577 . . . 1.0 . . . . . . . . . . . . F . 68 ASN CA . . . . . . . . . rr_1aot 1 . 1 . 1109 . 1 1 68 ASN CB C -56.993 23.755 28.769 . . . 1.0 . . . . . . . . . . . . F . 68 ASN CB . . . . . . . . . rr_1aot 1 . 1 . 1110 . 1 1 68 ASN CG C -58.150 24.502 28.103 . . . 1.0 . . . . . . . . . . . . F . 68 ASN CG . . . . . . . . . rr_1aot 1 . 1 . 1111 . 1 1 68 ASN H H -55.794 24.057 26.483 . . . 1.0 . . . . . . . . . . . . F . 68 ASN H . . . . . . . . . rr_1aot 1 . 1 . 1112 . 1 1 68 ASN HA H -55.782 25.510 29.050 . . . 1.0 . . . . . . . . . . . . F . 68 ASN HA . . . . . . . . . rr_1aot 1 . 1 . 1113 . 1 1 68 ASN HB2 H -56.886 22.778 28.319 . . . 1.0 . . . . . . . . . . . . F . 68 ASN HB2 . . . . . . . . . rr_1aot 1 . 1 . 1114 . 1 1 68 ASN HB3 H -57.194 23.644 29.824 . . . 1.0 . . . . . . . . . . . . F . 68 ASN HB3 . . . . . . . . . rr_1aot 1 . 1 . 1115 . 1 1 68 ASN HD21 H -58.229 23.277 26.542 . . . 1.0 . . . . . . . . . . . . F . 68 ASN HD21 . . . . . . . . . rr_1aot 1 . 1 . 1116 . 1 1 68 ASN HD22 H -59.360 24.543 26.529 . . . 1.0 . . . . . . . . . . . . F . 68 ASN HD22 . . . . . . . . . rr_1aot 1 . 1 . 1117 . 1 1 68 ASN N N -55.433 24.709 27.125 . . . 1.0 . . . . . . . . . . . . F . 68 ASN N . . . . . . . . . rr_1aot 1 . 1 . 1118 . 1 1 68 ASN ND2 N -58.618 24.072 26.963 . . . 1.0 . . . . . . . . . . . . F . 68 ASN ND2 . . . . . . . . . rr_1aot 1 . 1 . 1119 . 1 1 68 ASN O O -54.448 23.601 30.393 . . . 1.0 . . . . . . . . . . . . F . 68 ASN O . . . . . . . . . rr_1aot 1 . 1 . 1120 . 1 1 68 ASN OD1 O -58.633 25.486 28.626 . . . 1.0 . . . . . . . . . . . . F . 68 ASN OD1 . . . . . . . . . rr_1aot 1 . 1 . 1121 . 1 1 69 GLY C C -52.785 20.998 28.675 . . . 1.0 . . . . . . . . . . . . F . 69 GLY C . . . . . . . . . rr_1aot 1 . 1 . 1122 . 1 1 69 GLY CA C -52.511 22.487 28.885 . . . 1.0 . . . . . . . . . . . . F . 69 GLY CA . . . . . . . . . rr_1aot 1 . 1 . 1123 . 1 1 69 GLY H H -53.755 23.401 27.409 . . . 1.0 . . . . . . . . . . . . F . 69 GLY H . . . . . . . . . rr_1aot 1 . 1 . 1124 . 1 1 69 GLY HA2 H -51.612 22.769 28.356 . . . 1.0 . . . . . . . . . . . . F . 69 GLY HA2 . . . . . . . . . rr_1aot 1 . 1 . 1125 . 1 1 69 GLY HA3 H -52.394 22.691 29.929 . . . 1.0 . . . . . . . . . . . . F . 69 GLY HA3 . . . . . . . . . rr_1aot 1 . 1 . 1126 . 1 1 69 GLY N N -53.658 23.266 28.368 . . . 1.0 . . . . . . . . . . . . F . 69 GLY N . . . . . . . . . rr_1aot 1 . 1 . 1127 . 1 1 69 GLY O O -53.270 20.316 29.556 . . . 1.0 . . . . . . . . . . . . F . 69 GLY O . . . . . . . . . rr_1aot 1 . 1 . 1128 . 1 1 70 GLY C C -51.895 18.604 26.041 . . . 1.0 . . . . . . . . . . . . F . 70 GLY C . . . . . . . . . rr_1aot 1 . 1 . 1129 . 1 1 70 GLY CA C -52.732 19.057 27.242 . . . 1.0 . . . . . . . . . . . . F . 70 GLY CA . . . . . . . . . rr_1aot 1 . 1 . 1130 . 1 1 70 GLY H H -52.102 21.049 26.820 . . . 1.0 . . . . . . . . . . . . F . 70 GLY H . . . . . . . . . rr_1aot 1 . 1 . 1131 . 1 1 70 GLY HA2 H -52.465 18.490 28.103 . . . 1.0 . . . . . . . . . . . . F . 70 GLY HA2 . . . . . . . . . rr_1aot 1 . 1 . 1132 . 1 1 70 GLY HA3 H -53.778 18.910 27.028 . . . 1.0 . . . . . . . . . . . . F . 70 GLY HA3 . . . . . . . . . rr_1aot 1 . 1 . 1133 . 1 1 70 GLY N N -52.485 20.490 27.512 . . . 1.0 . . . . . . . . . . . . F . 70 GLY N . . . . . . . . . rr_1aot 1 . 1 . 1134 . 1 1 70 GLY O O -52.362 18.598 24.923 . . . 1.0 . . . . . . . . . . . . F . 70 GLY O . . . . . . . . . rr_1aot 1 . 1 . 1135 . 1 1 71 TYR C C -50.329 16.408 24.616 . . . 1.0 . . . . . . . . . . . . F . 71 TYR C . . . . . . . . . rr_1aot 1 . 1 . 1136 . 1 1 71 TYR CA C -49.823 17.771 25.105 . . . 1.0 . . . . . . . . . . . . F . 71 TYR CA . . . . . . . . . rr_1aot 1 . 1 . 1137 . 1 1 71 TYR CB C -48.366 17.619 25.560 . . . 1.0 . . . . . . . . . . . . F . 71 TYR CB . . . . . . . . . rr_1aot 1 . 1 . 1138 . 1 1 71 TYR CD1 C -47.766 19.549 24.039 . . . 1.0 . . . . . . . . . . . . F . 71 TYR CD1 . . . . . . . . . rr_1aot 1 . 1 . 1139 . 1 1 71 TYR CD2 C -46.622 19.329 26.162 . . . 1.0 . . . . . . . . . . . . F . 71 TYR CD2 . . . . . . . . . rr_1aot 1 . 1 . 1140 . 1 1 71 TYR CE1 C -47.014 20.697 23.757 . . . 1.0 . . . . . . . . . . . . F . 71 TYR CE1 . . . . . . . . . rr_1aot 1 . 1 . 1141 . 1 1 71 TYR CE2 C -45.873 20.474 25.884 . . . 1.0 . . . . . . . . . . . . F . 71 TYR CE2 . . . . . . . . . rr_1aot 1 . 1 . 1142 . 1 1 71 TYR CG C -47.570 18.865 25.244 . . . 1.0 . . . . . . . . . . . . F . 71 TYR CG . . . . . . . . . rr_1aot 1 . 1 . 1143 . 1 1 71 TYR CZ C -46.068 21.160 24.680 . . . 1.0 . . . . . . . . . . . . F . 71 TYR CZ . . . . . . . . . rr_1aot 1 . 1 . 1144 . 1 1 71 TYR H H -50.288 18.233 27.164 . . . 1.0 . . . . . . . . . . . . F . 71 TYR H . . . . . . . . . rr_1aot 1 . 1 . 1145 . 1 1 71 TYR HA H -49.888 18.494 24.304 . . . 1.0 . . . . . . . . . . . . F . 71 TYR HA . . . . . . . . . rr_1aot 1 . 1 . 1146 . 1 1 71 TYR HB2 H -48.344 17.443 26.625 . . . 1.0 . . . . . . . . . . . . F . 71 TYR HB2 . . . . . . . . . rr_1aot 1 . 1 . 1147 . 1 1 71 TYR HB3 H -47.922 16.775 25.051 . . . 1.0 . . . . . . . . . . . . F . 71 TYR HB3 . . . . . . . . . rr_1aot 1 . 1 . 1148 . 1 1 71 TYR HD1 H -48.495 19.194 23.329 . . . 1.0 . . . . . . . . . . . . F . 71 TYR HD1 . . . . . . . . . rr_1aot 1 . 1 . 1149 . 1 1 71 TYR HD2 H -46.468 18.803 27.086 . . . 1.0 . . . . . . . . . . . . F . 71 TYR HD2 . . . . . . . . . rr_1aot 1 . 1 . 1150 . 1 1 71 TYR HE1 H -47.164 21.225 22.828 . . . 1.0 . . . . . . . . . . . . F . 71 TYR HE1 . . . . . . . . . rr_1aot 1 . 1 . 1151 . 1 1 71 TYR HE2 H -45.144 20.826 26.600 . . . 1.0 . . . . . . . . . . . . F . 71 TYR HE2 . . . . . . . . . rr_1aot 1 . 1 . 1152 . 1 1 71 TYR HH H -45.774 23.043 24.798 . . . 1.0 . . . . . . . . . . . . F . 71 TYR HH . . . . . . . . . rr_1aot 1 . 1 . 1153 . 1 1 71 TYR N N -50.662 18.224 26.254 . . . 1.0 . . . . . . . . . . . . F . 71 TYR N . . . . . . . . . rr_1aot 1 . 1 . 1154 . 1 1 71 TYR O O -50.371 15.452 25.363 . . . 1.0 . . . . . . . . . . . . F . 71 TYR O . . . . . . . . . rr_1aot 1 . 1 . 1155 . 1 1 71 TYR OH O -45.327 22.291 24.402 . . . 1.0 . . . . . . . . . . . . F . 71 TYR OH . . . . . . . . . rr_1aot 1 . 1 . 1156 . 1 1 72 TYR C C -50.823 14.821 21.385 . . . 1.0 . . . . . . . . . . . . F . 72 TYR C . . . . . . . . . rr_1aot 1 . 1 . 1157 . 1 1 72 TYR CA C -51.200 14.988 22.858 . . . 1.0 . . . . . . . . . . . . F . 72 TYR CA . . . . . . . . . rr_1aot 1 . 1 . 1158 . 1 1 72 TYR CB C -52.729 14.923 22.968 . . . 1.0 . . . . . . . . . . . . F . 72 TYR CB . . . . . . . . . rr_1aot 1 . 1 . 1159 . 1 1 72 TYR CD1 C -53.650 15.612 20.720 . . . 1.0 . . . . . . . . . . . . F . 72 TYR CD1 . . . . . . . . . rr_1aot 1 . 1 . 1160 . 1 1 72 TYR CD2 C -53.624 17.230 22.519 . . . 1.0 . . . . . . . . . . . . F . 72 TYR CD2 . . . . . . . . . rr_1aot 1 . 1 . 1161 . 1 1 72 TYR CE1 C -54.217 16.560 19.869 . . . 1.0 . . . . . . . . . . . . F . 72 TYR CE1 . . . . . . . . . rr_1aot 1 . 1 . 1162 . 1 1 72 TYR CE2 C -54.193 18.184 21.668 . . . 1.0 . . . . . . . . . . . . F . 72 TYR CE2 . . . . . . . . . rr_1aot 1 . 1 . 1163 . 1 1 72 TYR CG C -53.352 15.945 22.046 . . . 1.0 . . . . . . . . . . . . F . 72 TYR CG . . . . . . . . . rr_1aot 1 . 1 . 1164 . 1 1 72 TYR CZ C -54.490 17.849 20.341 . . . 1.0 . . . . . . . . . . . . F . 72 TYR CZ . . . . . . . . . rr_1aot 1 . 1 . 1165 . 1 1 72 TYR H H -50.663 17.079 22.773 . . . 1.0 . . . . . . . . . . . . F . 72 TYR H . . . . . . . . . rr_1aot 1 . 1 . 1166 . 1 1 72 TYR HA H -50.771 14.185 23.443 . . . 1.0 . . . . . . . . . . . . F . 72 TYR HA . . . . . . . . . rr_1aot 1 . 1 . 1167 . 1 1 72 TYR HB2 H -53.067 13.937 22.688 . . . 1.0 . . . . . . . . . . . . F . 72 TYR HB2 . . . . . . . . . rr_1aot 1 . 1 . 1168 . 1 1 72 TYR HB3 H -53.024 15.128 23.979 . . . 1.0 . . . . . . . . . . . . F . 72 TYR HB3 . . . . . . . . . rr_1aot 1 . 1 . 1169 . 1 1 72 TYR HD1 H -53.444 14.622 20.352 . . . 1.0 . . . . . . . . . . . . F . 72 TYR HD1 . . . . . . . . . rr_1aot 1 . 1 . 1170 . 1 1 72 TYR HD2 H -53.400 17.484 23.541 . . . 1.0 . . . . . . . . . . . . F . 72 TYR HD2 . . . . . . . . . rr_1aot 1 . 1 . 1171 . 1 1 72 TYR HE1 H -54.438 16.296 18.846 . . . 1.0 . . . . . . . . . . . . F . 72 TYR HE1 . . . . . . . . . rr_1aot 1 . 1 . 1172 . 1 1 72 TYR HE2 H -54.398 19.179 22.035 . . . 1.0 . . . . . . . . . . . . F . 72 TYR HE2 . . . . . . . . . rr_1aot 1 . 1 . 1173 . 1 1 72 TYR HH H -56.002 18.770 19.626 . . . 1.0 . . . . . . . . . . . . F . 72 TYR HH . . . . . . . . . rr_1aot 1 . 1 . 1174 . 1 1 72 TYR N N -50.707 16.302 23.370 . . . 1.0 . . . . . . . . . . . . F . 72 TYR N . . . . . . . . . rr_1aot 1 . 1 . 1175 . 1 1 72 TYR O O -51.132 15.659 20.563 . . . 1.0 . . . . . . . . . . . . F . 72 TYR O . . . . . . . . . rr_1aot 1 . 1 . 1176 . 1 1 72 TYR OH O -55.050 18.789 19.500 . . . 1.0 . . . . . . . . . . . . F . 72 TYR OH . . . . . . . . . rr_1aot 1 . 1 . 1177 . 1 1 73 ILE C C -51.210 13.087 18.940 . . . 1.0 . . . . . . . . . . . . F . 73 ILE C . . . . . . . . . rr_1aot 1 . 1 . 1178 . 1 1 73 ILE CA C -49.900 13.527 19.581 . . . 1.0 . . . . . . . . . . . . F . 73 ILE CA . . . . . . . . . rr_1aot 1 . 1 . 1179 . 1 1 73 ILE CB C -48.828 12.448 19.391 . . . 1.0 . . . . . . . . . . . . F . 73 ILE CB . . . . . . . . . rr_1aot 1 . 1 . 1180 . 1 1 73 ILE CD1 C -46.689 11.524 20.315 . . . 1.0 . . . . . . . . . . . . F . 73 ILE CD1 . . . . . . . . . rr_1aot 1 . 1 . 1181 . 1 1 73 ILE CG1 C -47.876 12.451 20.592 . . . 1.0 . . . . . . . . . . . . F . 73 ILE CG1 . . . . . . . . . rr_1aot 1 . 1 . 1182 . 1 1 73 ILE CG2 C -48.046 12.742 18.110 . . . 1.0 . . . . . . . . . . . . F . 73 ILE CG2 . . . . . . . . . rr_1aot 1 . 1 . 1183 . 1 1 73 ILE H H -49.993 13.036 21.681 . . . 1.0 . . . . . . . . . . . . F . 73 ILE H . . . . . . . . . rr_1aot 1 . 1 . 1184 . 1 1 73 ILE HA H -49.579 14.461 19.142 . . . 1.0 . . . . . . . . . . . . F . 73 ILE HA . . . . . . . . . rr_1aot 1 . 1 . 1185 . 1 1 73 ILE HB H -49.299 11.480 19.302 . . . 1.0 . . . . . . . . . . . . F . 73 ILE HB . . . . . . . . . rr_1aot 1 . 1 . 1186 . 1 1 73 ILE HD11 H -46.281 11.744 19.338 . . . 1.0 . . . . . . . . . . . . F . 73 ILE HD11 . . . . . . . . . rr_1aot 1 . 1 . 1187 . 1 1 73 ILE HD12 H -45.929 11.679 21.066 . . . 1.0 . . . . . . . . . . . . F . 73 ILE HD12 . . . . . . . . . rr_1aot 1 . 1 . 1188 . 1 1 73 ILE HD13 H -47.020 10.497 20.344 . . . 1.0 . . . . . . . . . . . . F . 73 ILE HD13 . . . . . . . . . rr_1aot 1 . 1 . 1189 . 1 1 73 ILE HG12 H -47.517 13.454 20.764 . . . 1.0 . . . . . . . . . . . . F . 73 ILE HG12 . . . . . . . . . rr_1aot 1 . 1 . 1190 . 1 1 73 ILE HG13 H -48.403 12.104 21.468 . . . 1.0 . . . . . . . . . . . . F . 73 ILE HG13 . . . . . . . . . rr_1aot 1 . 1 . 1191 . 1 1 73 ILE HG21 H -47.989 13.810 17.959 . . . 1.0 . . . . . . . . . . . . F . 73 ILE HG21 . . . . . . . . . rr_1aot 1 . 1 . 1192 . 1 1 73 ILE HG22 H -47.049 12.336 18.189 . . . 1.0 . . . . . . . . . . . . F . 73 ILE HG22 . . . . . . . . . rr_1aot 1 . 1 . 1193 . 1 1 73 ILE HG23 H -48.551 12.288 17.269 . . . 1.0 . . . . . . . . . . . . F . 73 ILE HG23 . . . . . . . . . rr_1aot 1 . 1 . 1194 . 1 1 73 ILE N N -50.206 13.730 21.023 . . . 1.0 . . . . . . . . . . . . F . 73 ILE N . . . . . . . . . rr_1aot 1 . 1 . 1195 . 1 1 73 ILE O O -51.487 13.347 17.786 . . . 1.0 . . . . . . . . . . . . F . 73 ILE O . . . . . . . . . rr_1aot 1 . 1 . 1196 . 1 1 74 THR C C -54.372 12.525 20.305 . . . 1.0 . . . . . . . . . . . . F . 74 THR C . . . . . . . . . rr_1aot 1 . 1 . 1197 . 1 1 74 THR CA C -53.376 12.030 19.266 . . . 1.0 . . . . . . . . . . . . F . 74 THR CA . . . . . . . . . rr_1aot 1 . 1 . 1198 . 1 1 74 THR CB C -53.449 10.504 19.136 . . . 1.0 . . . . . . . . . . . . F . 74 THR CB . . . . . . . . . rr_1aot 1 . 1 . 1199 . 1 1 74 THR CG2 C -52.265 9.851 19.852 . . . 1.0 . . . . . . . . . . . . F . 74 THR CG2 . . . . . . . . . rr_1aot 1 . 1 . 1200 . 1 1 74 THR H H -51.789 12.313 20.665 . . . 1.0 . . . . . . . . . . . . F . 74 THR H . . . . . . . . . rr_1aot 1 . 1 . 1201 . 1 1 74 THR HA H -53.593 12.491 18.315 . . . 1.0 . . . . . . . . . . . . F . 74 THR HA . . . . . . . . . rr_1aot 1 . 1 . 1202 . 1 1 74 THR HB H -53.427 10.243 18.094 . . . 1.0 . . . . . . . . . . . . F . 74 THR HB . . . . . . . . . rr_1aot 1 . 1 . 1203 . 1 1 74 THR HG1 H -54.980 9.310 19.165 . . . 1.0 . . . . . . . . . . . . F . 74 THR HG1 . . . . . . . . . rr_1aot 1 . 1 . 1204 . 1 1 74 THR HG21 H -51.357 10.377 19.599 . . . 1.0 . . . . . . . . . . . . F . 74 THR HG21 . . . . . . . . . rr_1aot 1 . 1 . 1205 . 1 1 74 THR HG22 H -52.423 9.897 20.920 . . . 1.0 . . . . . . . . . . . . F . 74 THR HG22 . . . . . . . . . rr_1aot 1 . 1 . 1206 . 1 1 74 THR HG23 H -52.183 8.819 19.544 . . . 1.0 . . . . . . . . . . . . F . 74 THR HG23 . . . . . . . . . rr_1aot 1 . 1 . 1207 . 1 1 74 THR N N -52.039 12.464 19.732 . . . 1.0 . . . . . . . . . . . . F . 74 THR N . . . . . . . . . rr_1aot 1 . 1 . 1208 . 1 1 74 THR O O -54.096 12.529 21.487 . . . 1.0 . . . . . . . . . . . . F . 74 THR O . . . . . . . . . rr_1aot 1 . 1 . 1209 . 1 1 74 THR OG1 O -54.659 10.034 19.707 . . . 1.0 . . . . . . . . . . . . F . 74 THR OG1 . . . . . . . . . rr_1aot 1 . 1 . 1210 . 1 1 75 THR C C -56.983 12.439 21.804 . . . 1.0 . . . . . . . . . . . . F . 75 THR C . . . . . . . . . rr_1aot 1 . 1 . 1211 . 1 1 75 THR CA C -56.491 13.532 20.856 . . . 1.0 . . . . . . . . . . . . F . 75 THR CA . . . . . . . . . rr_1aot 1 . 1 . 1212 . 1 1 75 THR CB C -57.661 14.140 20.094 . . . 1.0 . . . . . . . . . . . . F . 75 THR CB . . . . . . . . . rr_1aot 1 . 1 . 1213 . 1 1 75 THR CG2 C -57.111 15.142 19.080 . . . 1.0 . . . . . . . . . . . . F . 75 THR CG2 . . . . . . . . . rr_1aot 1 . 1 . 1214 . 1 1 75 THR H H -55.691 13.003 18.918 . . . 1.0 . . . . . . . . . . . . F . 75 THR H . . . . . . . . . rr_1aot 1 . 1 . 1215 . 1 1 75 THR HA H -56.013 14.307 21.437 . . . 1.0 . . . . . . . . . . . . F . 75 THR HA . . . . . . . . . rr_1aot 1 . 1 . 1216 . 1 1 75 THR HB H -58.314 14.652 20.783 . . . 1.0 . . . . . . . . . . . . F . 75 THR HB . . . . . . . . . rr_1aot 1 . 1 . 1217 . 1 1 75 THR HG1 H -59.270 13.095 19.773 . . . 1.0 . . . . . . . . . . . . F . 75 THR HG1 . . . . . . . . . rr_1aot 1 . 1 . 1218 . 1 1 75 THR HG21 H -56.035 15.217 19.200 . . . 1.0 . . . . . . . . . . . . F . 75 THR HG21 . . . . . . . . . rr_1aot 1 . 1 . 1219 . 1 1 75 THR HG22 H -57.338 14.805 18.080 . . . 1.0 . . . . . . . . . . . . F . 75 THR HG22 . . . . . . . . . rr_1aot 1 . 1 . 1220 . 1 1 75 THR HG23 H -57.561 16.109 19.248 . . . 1.0 . . . . . . . . . . . . F . 75 THR HG23 . . . . . . . . . rr_1aot 1 . 1 . 1221 . 1 1 75 THR N N -55.503 12.986 19.880 . . . 1.0 . . . . . . . . . . . . F . 75 THR N . . . . . . . . . rr_1aot 1 . 1 . 1222 . 1 1 75 THR O O -57.688 12.706 22.757 . . . 1.0 . . . . . . . . . . . . F . 75 THR O . . . . . . . . . rr_1aot 1 . 1 . 1223 . 1 1 75 THR OG1 O -58.377 13.114 19.421 . . . 1.0 . . . . . . . . . . . . F . 75 THR OG1 . . . . . . . . . rr_1aot 1 . 1 . 1224 . 1 1 76 ARG C C -56.351 10.273 23.823 . . . 1.0 . . . . . . . . . . . . F . 76 ARG C . . . . . . . . . rr_1aot 1 . 1 . 1225 . 1 1 76 ARG CA C -57.049 10.122 22.468 . . . 1.0 . . . . . . . . . . . . F . 76 ARG CA . . . . . . . . . rr_1aot 1 . 1 . 1226 . 1 1 76 ARG CB C -56.681 8.771 21.850 . . . 1.0 . . . . . . . . . . . . F . 76 ARG CB . . . . . . . . . rr_1aot 1 . 1 . 1227 . 1 1 76 ARG CD C -57.283 6.358 22.088 . . . 1.0 . . . . . . . . . . . . F . 76 ARG CD . . . . . . . . . rr_1aot 1 . 1 . 1228 . 1 1 76 ARG CG C -56.988 7.653 22.848 . . . 1.0 . . . . . . . . . . . . F . 76 ARG CG . . . . . . . . . rr_1aot 1 . 1 . 1229 . 1 1 76 ARG CZ C -58.857 4.716 22.920 . . . 1.0 . . . . . . . . . . . . F . 76 ARG CZ . . . . . . . . . rr_1aot 1 . 1 . 1230 . 1 1 76 ARG H H -56.039 11.019 20.803 . . . 1.0 . . . . . . . . . . . . F . 76 ARG H . . . . . . . . . rr_1aot 1 . 1 . 1231 . 1 1 76 ARG HA H -58.119 10.175 22.606 . . . 1.0 . . . . . . . . . . . . F . 76 ARG HA . . . . . . . . . rr_1aot 1 . 1 . 1232 . 1 1 76 ARG HB2 H -57.257 8.618 20.950 . . . 1.0 . . . . . . . . . . . . F . 76 ARG HB2 . . . . . . . . . rr_1aot 1 . 1 . 1233 . 1 1 76 ARG HB3 H -55.628 8.761 21.610 . . . 1.0 . . . . . . . . . . . . F . 76 ARG HB3 . . . . . . . . . rr_1aot 1 . 1 . 1234 . 1 1 76 ARG HD2 H -57.198 6.537 21.026 . . . 1.0 . . . . . . . . . . . . F . 76 ARG HD2 . . . . . . . . . rr_1aot 1 . 1 . 1235 . 1 1 76 ARG HD3 H -56.575 5.598 22.382 . . . 1.0 . . . . . . . . . . . . F . 76 ARG HD3 . . . . . . . . . rr_1aot 1 . 1 . 1236 . 1 1 76 ARG HE H -59.429 6.487 22.228 . . . 1.0 . . . . . . . . . . . . F . 76 ARG HE . . . . . . . . . rr_1aot 1 . 1 . 1237 . 1 1 76 ARG HG2 H -56.136 7.504 23.495 . . . 1.0 . . . . . . . . . . . . F . 76 ARG HG2 . . . . . . . . . rr_1aot 1 . 1 . 1238 . 1 1 76 ARG HG3 H -57.847 7.926 23.442 . . . 1.0 . . . . . . . . . . . . F . 76 ARG HG3 . . . . . . . . . rr_1aot 1 . 1 . 1239 . 1 1 76 ARG HH11 H -58.561 3.748 21.193 . . . 1.0 . . . . . . . . . . . . F . 76 ARG HH11 . . . . . . . . . rr_1aot 1 . 1 . 1240 . 1 1 76 ARG HH12 H -58.921 2.748 22.560 . . . 1.0 . . . . . . . . . . . . F . 76 ARG HH12 . . . . . . . . . rr_1aot 1 . 1 . 1241 . 1 1 76 ARG HH21 H -59.199 5.407 24.768 . . . 1.0 . . . . . . . . . . . . F . 76 ARG HH21 . . . . . . . . . rr_1aot 1 . 1 . 1242 . 1 1 76 ARG HH22 H -59.282 3.686 24.584 . . . 1.0 . . . . . . . . . . . . F . 76 ARG HH22 . . . . . . . . . rr_1aot 1 . 1 . 1243 . 1 1 76 ARG N N -56.611 11.216 21.566 . . . 1.0 . . . . . . . . . . . . F . 76 ARG N . . . . . . . . . rr_1aot 1 . 1 . 1244 . 1 1 76 ARG NE N -58.665 5.900 22.406 . . . 1.0 . . . . . . . . . . . . F . 76 ARG NE . . . . . . . . . rr_1aot 1 . 1 . 1245 . 1 1 76 ARG NH1 N -58.773 3.655 22.165 . . . 1.0 . . . . . . . . . . . . F . 76 ARG NH1 . . . . . . . . . rr_1aot 1 . 1 . 1246 . 1 1 76 ARG NH2 N -59.134 4.593 24.190 . . . 1.0 . . . . . . . . . . . . F . 76 ARG NH2 . . . . . . . . . rr_1aot 1 . 1 . 1247 . 1 1 76 ARG O O -56.779 9.713 24.813 . . . 1.0 . . . . . . . . . . . . F . 76 ARG O . . . . . . . . . rr_1aot 1 . 1 . 1248 . 1 1 77 ALA C C -53.667 12.426 25.176 . . . 1.0 . . . . . . . . . . . . F . 77 ALA C . . . . . . . . . rr_1aot 1 . 1 . 1249 . 1 1 77 ALA CA C -54.569 11.182 25.188 . . . 1.0 . . . . . . . . . . . . F . 77 ALA CA . . . . . . . . . rr_1aot 1 . 1 . 1250 . 1 1 77 ALA CB C -53.711 9.944 25.451 . . . 1.0 . . . . . . . . . . . . F . 77 ALA CB . . . . . . . . . rr_1aot 1 . 1 . 1251 . 1 1 77 ALA H H -54.935 11.463 23.075 . . . 1.0 . . . . . . . . . . . . F . 77 ALA H . . . . . . . . . rr_1aot 1 . 1 . 1252 . 1 1 77 ALA HA H -55.299 11.280 25.977 . . . 1.0 . . . . . . . . . . . . F . 77 ALA HA . . . . . . . . . rr_1aot 1 . 1 . 1253 . 1 1 77 ALA HB1 H -53.288 9.596 24.520 . . . 1.0 . . . . . . . . . . . . F . 77 ALA HB1 . . . . . . . . . rr_1aot 1 . 1 . 1254 . 1 1 77 ALA HB2 H -52.915 10.195 26.137 . . . 1.0 . . . . . . . . . . . . F . 77 ALA HB2 . . . . . . . . . rr_1aot 1 . 1 . 1255 . 1 1 77 ALA HB3 H -54.324 9.165 25.880 . . . 1.0 . . . . . . . . . . . . F . 77 ALA HB3 . . . . . . . . . rr_1aot 1 . 1 . 1256 . 1 1 77 ALA N N -55.275 11.020 23.882 . . . 1.0 . . . . . . . . . . . . F . 77 ALA N . . . . . . . . . rr_1aot 1 . 1 . 1257 . 1 1 77 ALA O O -52.849 12.609 24.297 . . . 1.0 . . . . . . . . . . . . F . 77 ALA O . . . . . . . . . rr_1aot 1 . 1 . 1258 . 1 1 78 GLN C C -52.218 14.446 27.614 . . . 1.0 . . . . . . . . . . . . F . 78 GLN C . . . . . . . . . rr_1aot 1 . 1 . 1259 . 1 1 78 GLN CA C -52.956 14.483 26.273 . . . 1.0 . . . . . . . . . . . . F . 78 GLN CA . . . . . . . . . rr_1aot 1 . 1 . 1260 . 1 1 78 GLN CB C -53.830 15.742 26.211 . . . 1.0 . . . . . . . . . . . . F . 78 GLN CB . . . . . . . . . rr_1aot 1 . 1 . 1261 . 1 1 78 GLN CD C -56.199 15.093 25.703 . . . 1.0 . . . . . . . . . . . . F . 78 GLN CD . . . . . . . . . rr_1aot 1 . 1 . 1262 . 1 1 78 GLN CG C -55.207 15.456 26.813 . . . 1.0 . . . . . . . . . . . . F . 78 GLN CG . . . . . . . . . rr_1aot 1 . 1 . 1263 . 1 1 78 GLN H H -54.449 13.078 26.869 . . . 1.0 . . . . . . . . . . . . F . 78 GLN H . . . . . . . . . rr_1aot 1 . 1 . 1264 . 1 1 78 GLN HA H -52.237 14.494 25.468 . . . 1.0 . . . . . . . . . . . . F . 78 GLN HA . . . . . . . . . rr_1aot 1 . 1 . 1265 . 1 1 78 GLN HB2 H -53.354 16.525 26.776 . . . 1.0 . . . . . . . . . . . . F . 78 GLN HB2 . . . . . . . . . rr_1aot 1 . 1 . 1266 . 1 1 78 GLN HB3 H -53.946 16.059 25.188 . . . 1.0 . . . . . . . . . . . . F . 78 GLN HB3 . . . . . . . . . rr_1aot 1 . 1 . 1267 . 1 1 78 GLN HE21 H -54.792 14.596 24.392 . . . 1.0 . . . . . . . . . . . . F . 78 GLN HE21 . . . . . . . . . rr_1aot 1 . 1 . 1268 . 1 1 78 GLN HE22 H -56.386 14.442 23.837 . . . 1.0 . . . . . . . . . . . . F . 78 GLN HE22 . . . . . . . . . rr_1aot 1 . 1 . 1269 . 1 1 78 GLN HG2 H -55.130 14.639 27.508 . . . 1.0 . . . . . . . . . . . . F . 78 GLN HG2 . . . . . . . . . rr_1aot 1 . 1 . 1270 . 1 1 78 GLN HG3 H -55.559 16.335 27.332 . . . 1.0 . . . . . . . . . . . . F . 78 GLN HG3 . . . . . . . . . rr_1aot 1 . 1 . 1271 . 1 1 78 GLN N N -53.802 13.263 26.172 . . . 1.0 . . . . . . . . . . . . F . 78 GLN N . . . . . . . . . rr_1aot 1 . 1 . 1272 . 1 1 78 GLN NE2 N -55.754 14.676 24.548 . . . 1.0 . . . . . . . . . . . . F . 78 GLN NE2 . . . . . . . . . rr_1aot 1 . 1 . 1273 . 1 1 78 GLN O O -52.443 13.574 28.429 . . . 1.0 . . . . . . . . . . . . F . 78 GLN O . . . . . . . . . rr_1aot 1 . 1 . 1274 . 1 1 78 GLN OE1 O -57.396 15.190 25.891 . . . 1.0 . . . . . . . . . . . . F . 78 GLN OE1 . . . . . . . . . rr_1aot 1 . 1 . 1275 . 1 1 79 PHE C C -50.332 16.816 29.576 . . . 1.0 . . . . . . . . . . . . F . 79 PHE C . . . . . . . . . rr_1aot 1 . 1 . 1276 . 1 1 79 PHE CA C -50.589 15.380 29.143 . . . 1.0 . . . . . . . . . . . . F . 79 PHE CA . . . . . . . . . rr_1aot 1 . 1 . 1277 . 1 1 79 PHE CB C -49.259 14.651 28.962 . . . 1.0 . . . . . . . . . . . . F . 79 PHE CB . . . . . . . . . rr_1aot 1 . 1 . 1278 . 1 1 79 PHE CD1 C -50.094 12.647 27.697 . . . 1.0 . . . . . . . . . . . . F . 79 PHE CD1 . . . . . . . . . rr_1aot 1 . 1 . 1279 . 1 1 79 PHE CD2 C -49.236 12.328 29.940 . . . 1.0 . . . . . . . . . . . . F . 79 PHE CD2 . . . . . . . . . rr_1aot 1 . 1 . 1280 . 1 1 79 PHE CE1 C -50.364 11.281 27.603 . . . 1.0 . . . . . . . . . . . . F . 79 PHE CE1 . . . . . . . . . rr_1aot 1 . 1 . 1281 . 1 1 79 PHE CE2 C -49.504 10.957 29.846 . . . 1.0 . . . . . . . . . . . . F . 79 PHE CE2 . . . . . . . . . rr_1aot 1 . 1 . 1282 . 1 1 79 PHE CG C -49.530 13.171 28.863 . . . 1.0 . . . . . . . . . . . . F . 79 PHE CG . . . . . . . . . rr_1aot 1 . 1 . 1283 . 1 1 79 PHE CZ C -50.069 10.433 28.677 . . . 1.0 . . . . . . . . . . . . F . 79 PHE CZ . . . . . . . . . rr_1aot 1 . 1 . 1284 . 1 1 79 PHE H H -51.165 16.073 27.185 . . . 1.0 . . . . . . . . . . . . F . 79 PHE H . . . . . . . . . rr_1aot 1 . 1 . 1285 . 1 1 79 PHE HA H -51.171 14.879 29.901 . . . 1.0 . . . . . . . . . . . . F . 79 PHE HA . . . . . . . . . rr_1aot 1 . 1 . 1286 . 1 1 79 PHE HB2 H -48.780 14.995 28.056 . . . 1.0 . . . . . . . . . . . . F . 79 PHE HB2 . . . . . . . . . rr_1aot 1 . 1 . 1287 . 1 1 79 PHE HB3 H -48.619 14.848 29.809 . . . 1.0 . . . . . . . . . . . . F . 79 PHE HB3 . . . . . . . . . rr_1aot 1 . 1 . 1288 . 1 1 79 PHE HD1 H -50.320 13.300 26.867 . . . 1.0 . . . . . . . . . . . . F . 79 PHE HD1 . . . . . . . . . rr_1aot 1 . 1 . 1289 . 1 1 79 PHE HD2 H -48.800 12.733 30.841 . . . 1.0 . . . . . . . . . . . . F . 79 PHE HD2 . . . . . . . . . rr_1aot 1 . 1 . 1290 . 1 1 79 PHE HE1 H -50.801 10.882 26.701 . . . 1.0 . . . . . . . . . . . . F . 79 PHE HE1 . . . . . . . . . rr_1aot 1 . 1 . 1291 . 1 1 79 PHE HE2 H -49.277 10.304 30.676 . . . 1.0 . . . . . . . . . . . . F . 79 PHE HE2 . . . . . . . . . rr_1aot 1 . 1 . 1292 . 1 1 79 PHE HZ H -50.278 9.375 28.605 . . . 1.0 . . . . . . . . . . . . F . 79 PHE HZ . . . . . . . . . rr_1aot 1 . 1 . 1293 . 1 1 79 PHE N N -51.337 15.378 27.852 . . . 1.0 . . . . . . . . . . . . F . 79 PHE N . . . . . . . . . rr_1aot 1 . 1 . 1294 . 1 1 79 PHE O O -50.904 17.740 29.053 . . . 1.0 . . . . . . . . . . . . F . 79 PHE O . . . . . . . . . rr_1aot 1 . 1 . 1295 . 1 1 80 GLU C C -47.969 18.954 30.329 . . . 1.0 . . . . . . . . . . . . F . 80 GLU C . . . . . . . . . rr_1aot 1 . 1 . 1296 . 1 1 80 GLU CA C -49.237 18.409 30.987 . . . 1.0 . . . . . . . . . . . . F . 80 GLU CA . . . . . . . . . rr_1aot 1 . 1 . 1297 . 1 1 80 GLU CB C -49.082 18.421 32.506 . . . 1.0 . . . . . . . . . . . . F . 80 GLU CB . . . . . . . . . rr_1aot 1 . 1 . 1298 . 1 1 80 GLU CD C -48.573 16.361 33.825 . . . 1.0 . . . . . . . . . . . . F . 80 GLU CD . . . . . . . . . rr_1aot 1 . 1 . 1299 . 1 1 80 GLU CG C -47.981 17.441 32.917 . . . 1.0 . . . . . . . . . . . . F . 80 GLU CG . . . . . . . . . rr_1aot 1 . 1 . 1300 . 1 1 80 GLU H H -49.040 16.269 30.973 . . . 1.0 . . . . . . . . . . . . F . 80 GLU H . . . . . . . . . rr_1aot 1 . 1 . 1301 . 1 1 80 GLU HA H -50.076 19.028 30.703 . . . 1.0 . . . . . . . . . . . . F . 80 GLU HA . . . . . . . . . rr_1aot 1 . 1 . 1302 . 1 1 80 GLU HB2 H -48.823 19.416 32.835 . . . 1.0 . . . . . . . . . . . . F . 80 GLU HB2 . . . . . . . . . rr_1aot 1 . 1 . 1303 . 1 1 80 GLU HB3 H -50.013 18.121 32.959 . . . 1.0 . . . . . . . . . . . . F . 80 GLU HB3 . . . . . . . . . rr_1aot 1 . 1 . 1304 . 1 1 80 GLU HG2 H -47.562 16.980 32.036 . . . 1.0 . . . . . . . . . . . . F . 80 GLU HG2 . . . . . . . . . rr_1aot 1 . 1 . 1305 . 1 1 80 GLU HG3 H -47.207 17.973 33.448 . . . 1.0 . . . . . . . . . . . . F . 80 GLU HG3 . . . . . . . . . rr_1aot 1 . 1 . 1306 . 1 1 80 GLU N N -49.491 17.020 30.538 . . . 1.0 . . . . . . . . . . . . F . 80 GLU N . . . . . . . . . rr_1aot 1 . 1 . 1307 . 1 1 80 GLU O O -47.849 20.140 30.094 . . . 1.0 . . . . . . . . . . . . F . 80 GLU O . . . . . . . . . rr_1aot 1 . 1 . 1308 . 1 1 80 GLU OE1 O -49.312 16.715 34.729 . . . 1.0 . . . . . . . . . . . . F . 80 GLU OE1 . . . . . . . . . rr_1aot 1 . 1 . 1309 . 1 1 80 GLU OE2 O -48.276 15.199 33.601 . . . 1.0 . . . . . . . . . . . . F . 80 GLU OE2 . . . . . . . . . rr_1aot 1 . 1 . 1310 . 1 1 81 THR C C -45.168 17.528 28.523 . . . 1.0 . . . . . . . . . . . . F . 81 THR C . . . . . . . . . rr_1aot 1 . 1 . 1311 . 1 1 81 THR CA C -45.763 18.620 29.408 . . . 1.0 . . . . . . . . . . . . F . 81 THR CA . . . . . . . . . rr_1aot 1 . 1 . 1312 . 1 1 81 THR CB C -44.764 19.011 30.507 . . . 1.0 . . . . . . . . . . . . F . 81 THR CB . . . . . . . . . rr_1aot 1 . 1 . 1313 . 1 1 81 THR CG2 C -45.162 18.336 31.803 . . . 1.0 . . . . . . . . . . . . F . 81 THR CG2 . . . . . . . . . rr_1aot 1 . 1 . 1314 . 1 1 81 THR H H -47.114 17.155 30.244 . . . 1.0 . . . . . . . . . . . . F . 81 THR H . . . . . . . . . rr_1aot 1 . 1 . 1315 . 1 1 81 THR HA H -45.990 19.486 28.804 . . . 1.0 . . . . . . . . . . . . F . 81 THR HA . . . . . . . . . rr_1aot 1 . 1 . 1316 . 1 1 81 THR HB H -44.770 20.081 30.644 . . . 1.0 . . . . . . . . . . . . F . 81 THR HB . . . . . . . . . rr_1aot 1 . 1 . 1317 . 1 1 81 THR HG1 H -43.273 17.777 30.664 . . . 1.0 . . . . . . . . . . . . F . 81 THR HG1 . . . . . . . . . rr_1aot 1 . 1 . 1318 . 1 1 81 THR HG21 H -45.216 17.272 31.627 . . . 1.0 . . . . . . . . . . . . F . 81 THR HG21 . . . . . . . . . rr_1aot 1 . 1 . 1319 . 1 1 81 THR HG22 H -44.424 18.544 32.560 . . . 1.0 . . . . . . . . . . . . F . 81 THR HG22 . . . . . . . . . rr_1aot 1 . 1 . 1320 . 1 1 81 THR HG23 H -46.125 18.701 32.118 . . . 1.0 . . . . . . . . . . . . F . 81 THR HG23 . . . . . . . . . rr_1aot 1 . 1 . 1321 . 1 1 81 THR N N -47.016 18.114 30.038 . . . 1.0 . . . . . . . . . . . . F . 81 THR N . . . . . . . . . rr_1aot 1 . 1 . 1322 . 1 1 81 THR O O -45.742 16.470 28.353 . . . 1.0 . . . . . . . . . . . . F . 81 THR O . . . . . . . . . rr_1aot 1 . 1 . 1323 . 1 1 81 THR OG1 O -43.461 18.578 30.159 . . . 1.0 . . . . . . . . . . . . F . 81 THR OG1 . . . . . . . . . rr_1aot 1 . 1 . 1324 . 1 1 82 LEU C C -42.627 15.766 27.935 . . . 1.0 . . . . . . . . . . . . F . 82 LEU C . . . . . . . . . rr_1aot 1 . 1 . 1325 . 1 1 82 LEU CA C -43.405 16.753 27.075 . . . 1.0 . . . . . . . . . . . . F . 82 LEU CA . . . . . . . . . rr_1aot 1 . 1 . 1326 . 1 1 82 LEU CB C -42.490 17.437 26.065 . . . 1.0 . . . . . . . . . . . . F . 82 LEU CB . . . . . . . . . rr_1aot 1 . 1 . 1327 . 1 1 82 LEU CD1 C -42.662 19.672 24.966 . . . 1.0 . . . . . . . . . . . . F . 82 LEU CD1 . . . . . . . . . rr_1aot 1 . 1 . 1328 . 1 1 82 LEU CD2 C -43.564 17.654 23.813 . . . 1.0 . . . . . . . . . . . . F . 82 LEU CD2 . . . . . . . . . rr_1aot 1 . 1 . 1329 . 1 1 82 LEU CG C -43.351 18.328 25.169 . . . 1.0 . . . . . . . . . . . . F . 82 LEU CG . . . . . . . . . rr_1aot 1 . 1 . 1330 . 1 1 82 LEU H H -43.582 18.633 28.103 . . . 1.0 . . . . . . . . . . . . F . 82 LEU H . . . . . . . . . rr_1aot 1 . 1 . 1331 . 1 1 82 LEU HA H -44.182 16.226 26.549 . . . 1.0 . . . . . . . . . . . . F . 82 LEU HA . . . . . . . . . rr_1aot 1 . 1 . 1332 . 1 1 82 LEU HB2 H -41.759 18.039 26.584 . . . 1.0 . . . . . . . . . . . . F . 82 LEU HB2 . . . . . . . . . rr_1aot 1 . 1 . 1333 . 1 1 82 LEU HB3 H -41.990 16.693 25.465 . . . 1.0 . . . . . . . . . . . . F . 82 LEU HB3 . . . . . . . . . rr_1aot 1 . 1 . 1334 . 1 1 82 LEU HD11 H -42.204 19.983 25.893 . . . 1.0 . . . . . . . . . . . . F . 82 LEU HD11 . . . . . . . . . rr_1aot 1 . 1 . 1335 . 1 1 82 LEU HD12 H -41.903 19.578 24.198 . . . 1.0 . . . . . . . . . . . . F . 82 LEU HD12 . . . . . . . . . rr_1aot 1 . 1 . 1336 . 1 1 82 LEU HD13 H -43.398 20.404 24.665 . . . 1.0 . . . . . . . . . . . . F . 82 LEU HD13 . . . . . . . . . rr_1aot 1 . 1 . 1337 . 1 1 82 LEU HD21 H -43.713 16.595 23.958 . . . 1.0 . . . . . . . . . . . . F . 82 LEU HD21 . . . . . . . . . rr_1aot 1 . 1 . 1338 . 1 1 82 LEU HD22 H -44.435 18.079 23.335 . . . 1.0 . . . . . . . . . . . . F . 82 LEU HD22 . . . . . . . . . rr_1aot 1 . 1 . 1339 . 1 1 82 LEU HD23 H -42.696 17.815 23.191 . . . 1.0 . . . . . . . . . . . . F . 82 LEU HD23 . . . . . . . . . rr_1aot 1 . 1 . 1340 . 1 1 82 LEU HG H -44.310 18.488 25.641 . . . 1.0 . . . . . . . . . . . . F . 82 LEU HG . . . . . . . . . rr_1aot 1 . 1 . 1341 . 1 1 82 LEU N N -44.027 17.776 27.953 . . . 1.0 . . . . . . . . . . . . F . 82 LEU N . . . . . . . . . rr_1aot 1 . 1 . 1342 . 1 1 82 LEU O O -42.482 14.614 27.593 . . . 1.0 . . . . . . . . . . . . F . 82 LEU O . . . . . . . . . rr_1aot 1 . 1 . 1343 . 1 1 83 GLN C C -42.443 14.356 30.635 . . . 1.0 . . . . . . . . . . . . F . 83 GLN C . . . . . . . . . rr_1aot 1 . 1 . 1344 . 1 1 83 GLN CA C -41.420 15.282 29.966 . . . 1.0 . . . . . . . . . . . . F . 83 GLN CA . . . . . . . . . rr_1aot 1 . 1 . 1345 . 1 1 83 GLN CB C -40.682 16.090 31.036 . . . 1.0 . . . . . . . . . . . . F . 83 GLN CB . . . . . . . . . rr_1aot 1 . 1 . 1346 . 1 1 83 GLN CD C -39.135 14.983 32.656 . . . 1.0 . . . . . . . . . . . . F . 83 GLN CD . . . . . . . . . rr_1aot 1 . 1 . 1347 . 1 1 83 GLN CG C -39.277 15.516 31.229 . . . 1.0 . . . . . . . . . . . . F . 83 GLN CG . . . . . . . . . rr_1aot 1 . 1 . 1348 . 1 1 83 GLN H H -42.293 17.131 29.322 . . . 1.0 . . . . . . . . . . . . F . 83 GLN H . . . . . . . . . rr_1aot 1 . 1 . 1349 . 1 1 83 GLN HA H -40.715 14.701 29.397 . . . 1.0 . . . . . . . . . . . . F . 83 GLN HA . . . . . . . . . rr_1aot 1 . 1 . 1350 . 1 1 83 GLN HB2 H -40.610 17.121 30.723 . . . 1.0 . . . . . . . . . . . . F . 83 GLN HB2 . . . . . . . . . rr_1aot 1 . 1 . 1351 . 1 1 83 GLN HB3 H -41.225 16.033 31.968 . . . 1.0 . . . . . . . . . . . . F . 83 GLN HB3 . . . . . . . . . rr_1aot 1 . 1 . 1352 . 1 1 83 GLN HE21 H -38.303 16.648 33.347 . . . 1.0 . . . . . . . . . . . . F . 83 GLN HE21 . . . . . . . . . rr_1aot 1 . 1 . 1353 . 1 1 83 GLN HE22 H -38.510 15.412 34.492 . . . 1.0 . . . . . . . . . . . . F . 83 GLN HE22 . . . . . . . . . rr_1aot 1 . 1 . 1354 . 1 1 83 GLN HG2 H -39.117 14.711 30.527 . . . 1.0 . . . . . . . . . . . . F . 83 GLN HG2 . . . . . . . . . rr_1aot 1 . 1 . 1355 . 1 1 83 GLN HG3 H -38.545 16.292 31.061 . . . 1.0 . . . . . . . . . . . . F . 83 GLN HG3 . . . . . . . . . rr_1aot 1 . 1 . 1356 . 1 1 83 GLN N N -42.152 16.203 29.063 . . . 1.0 . . . . . . . . . . . . F . 83 GLN N . . . . . . . . . rr_1aot 1 . 1 . 1357 . 1 1 83 GLN NE2 N -38.606 15.744 33.575 . . . 1.0 . . . . . . . . . . . . F . 83 GLN NE2 . . . . . . . . . rr_1aot 1 . 1 . 1358 . 1 1 83 GLN O O -42.198 13.184 30.853 . . . 1.0 . . . . . . . . . . . . F . 83 GLN O . . . . . . . . . rr_1aot 1 . 1 . 1359 . 1 1 83 GLN OE1 O -39.510 13.862 32.939 . . . 1.0 . . . . . . . . . . . . F . 83 GLN OE1 . . . . . . . . . rr_1aot 1 . 1 . 1360 . 1 1 84 GLN C C -45.231 13.066 30.568 . . . 1.0 . . . . . . . . . . . . F . 84 GLN C . . . . . . . . . rr_1aot 1 . 1 . 1361 . 1 1 84 GLN CA C -44.648 14.036 31.596 . . . 1.0 . . . . . . . . . . . . F . 84 GLN CA . . . . . . . . . rr_1aot 1 . 1 . 1362 . 1 1 84 GLN CB C -45.769 14.923 32.159 . . . 1.0 . . . . . . . . . . . . F . 84 GLN CB . . . . . . . . . rr_1aot 1 . 1 . 1363 . 1 1 84 GLN CD C -44.272 14.786 34.212 . . . 1.0 . . . . . . . . . . . . F . 84 GLN CD . . . . . . . . . rr_1aot 1 . 1 . 1364 . 1 1 84 GLN CG C -45.348 15.599 33.486 . . . 1.0 . . . . . . . . . . . . F . 84 GLN CG . . . . . . . . . rr_1aot 1 . 1 . 1365 . 1 1 84 GLN H H -43.779 15.821 30.758 . . . 1.0 . . . . . . . . . . . . F . 84 GLN H . . . . . . . . . rr_1aot 1 . 1 . 1366 . 1 1 84 GLN HA H -44.207 13.471 32.389 . . . 1.0 . . . . . . . . . . . . F . 84 GLN HA . . . . . . . . . rr_1aot 1 . 1 . 1367 . 1 1 84 GLN HB2 H -46.016 15.681 31.434 . . . 1.0 . . . . . . . . . . . . F . 84 GLN HB2 . . . . . . . . . rr_1aot 1 . 1 . 1368 . 1 1 84 GLN HB3 H -46.638 14.316 32.337 . . . 1.0 . . . . . . . . . . . . F . 84 GLN HB3 . . . . . . . . . rr_1aot 1 . 1 . 1369 . 1 1 84 GLN HE21 H -42.790 15.536 33.125 . . . 1.0 . . . . . . . . . . . . F . 84 GLN HE21 . . . . . . . . . rr_1aot 1 . 1 . 1370 . 1 1 84 GLN HE22 H -42.325 14.409 34.303 . . . 1.0 . . . . . . . . . . . . F . 84 GLN HE22 . . . . . . . . . rr_1aot 1 . 1 . 1371 . 1 1 84 GLN HG2 H -44.961 16.581 33.282 . . . 1.0 . . . . . . . . . . . . F . 84 GLN HG2 . . . . . . . . . rr_1aot 1 . 1 . 1372 . 1 1 84 GLN HG3 H -46.214 15.687 34.126 . . . 1.0 . . . . . . . . . . . . F . 84 GLN HG3 . . . . . . . . . rr_1aot 1 . 1 . 1373 . 1 1 84 GLN N N -43.600 14.878 30.951 . . . 1.0 . . . . . . . . . . . . F . 84 GLN N . . . . . . . . . rr_1aot 1 . 1 . 1374 . 1 1 84 GLN NE2 N -43.025 14.921 33.851 . . . 1.0 . . . . . . . . . . . . F . 84 GLN NE2 . . . . . . . . . rr_1aot 1 . 1 . 1375 . 1 1 84 GLN O O -45.564 11.941 30.884 . . . 1.0 . . . . . . . . . . . . F . 84 GLN O . . . . . . . . . rr_1aot 1 . 1 . 1376 . 1 1 84 GLN OE1 O -44.568 14.024 35.111 . . . 1.0 . . . . . . . . . . . . F . 84 GLN OE1 . . . . . . . . . rr_1aot 1 . 1 . 1377 . 1 1 85 LEU C C -44.822 11.578 27.893 . . . 1.0 . . . . . . . . . . . . F . 85 LEU C . . . . . . . . . rr_1aot 1 . 1 . 1378 . 1 1 85 LEU CA C -45.903 12.556 28.304 . . . 1.0 . . . . . . . . . . . . F . 85 LEU CA . . . . . . . . . rr_1aot 1 . 1 . 1379 . 1 1 85 LEU CB C -46.419 13.359 27.096 . . . 1.0 . . . . . . . . . . . . F . 85 LEU CB . . . . . . . . . rr_1aot 1 . 1 . 1380 . 1 1 85 LEU CD1 C -45.718 12.295 24.943 . . . 1.0 . . . . . . . . . . . . F . 85 LEU CD1 . . . . . . . . . rr_1aot 1 . 1 . 1381 . 1 1 85 LEU CD2 C -45.390 14.740 25.298 . . . 1.0 . . . . . . . . . . . . F . 85 LEU CD2 . . . . . . . . . rr_1aot 1 . 1 . 1382 . 1 1 85 LEU CG C -45.381 13.378 25.968 . . . 1.0 . . . . . . . . . . . . F . 85 LEU CG . . . . . . . . . rr_1aot 1 . 1 . 1383 . 1 1 85 LEU H H -45.069 14.389 29.098 . . . 1.0 . . . . . . . . . . . . F . 85 LEU H . . . . . . . . . rr_1aot 1 . 1 . 1384 . 1 1 85 LEU HA H -46.711 11.981 28.726 . . . 1.0 . . . . . . . . . . . . F . 85 LEU HA . . . . . . . . . rr_1aot 1 . 1 . 1385 . 1 1 85 LEU HB2 H -47.330 12.907 26.733 . . . 1.0 . . . . . . . . . . . . F . 85 LEU HB2 . . . . . . . . . rr_1aot 1 . 1 . 1386 . 1 1 85 LEU HB3 H -46.624 14.373 27.406 . . . 1.0 . . . . . . . . . . . . F . 85 LEU HB3 . . . . . . . . . rr_1aot 1 . 1 . 1387 . 1 1 85 LEU HD11 H -46.786 12.265 24.787 . . . 1.0 . . . . . . . . . . . . F . 85 LEU HD11 . . . . . . . . . rr_1aot 1 . 1 . 1388 . 1 1 85 LEU HD12 H -45.223 12.517 24.009 . . . 1.0 . . . . . . . . . . . . F . 85 LEU HD12 . . . . . . . . . rr_1aot 1 . 1 . 1389 . 1 1 85 LEU HD13 H -45.380 11.337 25.311 . . . 1.0 . . . . . . . . . . . . F . 85 LEU HD13 . . . . . . . . . rr_1aot 1 . 1 . 1390 . 1 1 85 LEU HD21 H -45.864 15.453 25.955 . . . 1.0 . . . . . . . . . . . . F . 85 LEU HD21 . . . . . . . . . rr_1aot 1 . 1 . 1391 . 1 1 85 LEU HD22 H -44.373 15.047 25.109 . . . 1.0 . . . . . . . . . . . . F . 85 LEU HD22 . . . . . . . . . rr_1aot 1 . 1 . 1392 . 1 1 85 LEU HD23 H -45.933 14.683 24.368 . . . 1.0 . . . . . . . . . . . . F . 85 LEU HD23 . . . . . . . . . rr_1aot 1 . 1 . 1393 . 1 1 85 LEU HG H -44.402 13.195 26.373 . . . 1.0 . . . . . . . . . . . . F . 85 LEU HG . . . . . . . . . rr_1aot 1 . 1 . 1394 . 1 1 85 LEU N N -45.350 13.480 29.339 . . . 1.0 . . . . . . . . . . . . F . 85 LEU N . . . . . . . . . rr_1aot 1 . 1 . 1395 . 1 1 85 LEU O O -45.094 10.451 27.589 . . . 1.0 . . . . . . . . . . . . F . 85 LEU O . . . . . . . . . rr_1aot 1 . 1 . 1396 . 1 1 86 VAL C C -42.490 10.015 28.701 . . . 1.0 . . . . . . . . . . . . F . 86 VAL C . . . . . . . . . rr_1aot 1 . 1 . 1397 . 1 1 86 VAL CA C -42.556 11.001 27.541 . . . 1.0 . . . . . . . . . . . . F . 86 VAL CA . . . . . . . . . rr_1aot 1 . 1 . 1398 . 1 1 86 VAL CB C -41.215 11.697 27.349 . . . 1.0 . . . . . . . . . . . . F . 86 VAL CB . . . . . . . . . rr_1aot 1 . 1 . 1399 . 1 1 86 VAL CG1 C -41.352 12.746 26.246 . . . 1.0 . . . . . . . . . . . . F . 86 VAL CG1 . . . . . . . . . rr_1aot 1 . 1 . 1400 . 1 1 86 VAL CG2 C -40.814 12.375 28.653 . . . 1.0 . . . . . . . . . . . . F . 86 VAL CG2 . . . . . . . . . rr_1aot 1 . 1 . 1401 . 1 1 86 VAL H H -43.365 12.884 28.169 . . . 1.0 . . . . . . . . . . . . F . 86 VAL H . . . . . . . . . rr_1aot 1 . 1 . 1402 . 1 1 86 VAL HA H -42.851 10.500 26.638 . . . 1.0 . . . . . . . . . . . . F . 86 VAL HA . . . . . . . . . rr_1aot 1 . 1 . 1403 . 1 1 86 VAL HB H -40.465 10.972 27.070 . . . 1.0 . . . . . . . . . . . . F . 86 VAL HB . . . . . . . . . rr_1aot 1 . 1 . 1404 . 1 1 86 VAL HG11 H -42.394 13.001 26.120 . . . 1.0 . . . . . . . . . . . . F . 86 VAL HG11 . . . . . . . . . rr_1aot 1 . 1 . 1405 . 1 1 86 VAL HG12 H -40.797 13.630 26.521 . . . 1.0 . . . . . . . . . . . . F . 86 VAL HG12 . . . . . . . . . rr_1aot 1 . 1 . 1406 . 1 1 86 VAL HG13 H -40.963 12.349 25.320 . . . 1.0 . . . . . . . . . . . . F . 86 VAL HG13 . . . . . . . . . rr_1aot 1 . 1 . 1407 . 1 1 86 VAL HG21 H -40.808 11.646 29.450 . . . 1.0 . . . . . . . . . . . . F . 86 VAL HG21 . . . . . . . . . rr_1aot 1 . 1 . 1408 . 1 1 86 VAL HG22 H -39.830 12.807 28.549 . . . 1.0 . . . . . . . . . . . . F . 86 VAL HG22 . . . . . . . . . rr_1aot 1 . 1 . 1409 . 1 1 86 VAL HG23 H -41.527 13.149 28.880 . . . 1.0 . . . . . . . . . . . . F . 86 VAL HG23 . . . . . . . . . rr_1aot 1 . 1 . 1410 . 1 1 86 VAL N N -43.595 11.975 27.902 . . . 1.0 . . . . . . . . . . . . F . 86 VAL N . . . . . . . . . rr_1aot 1 . 1 . 1411 . 1 1 86 VAL O O -42.021 8.900 28.588 . . . 1.0 . . . . . . . . . . . . F . 86 VAL O . . . . . . . . . rr_1aot 1 . 1 . 1412 . 1 1 87 GLN C C -44.063 8.484 30.848 . . . 1.0 . . . . . . . . . . . . F . 87 GLN C . . . . . . . . . rr_1aot 1 . 1 . 1413 . 1 1 87 GLN CA C -43.005 9.567 31.022 . . . 1.0 . . . . . . . . . . . . F . 87 GLN CA . . . . . . . . . rr_1aot 1 . 1 . 1414 . 1 1 87 GLN CB C -43.379 10.406 32.234 . . . 1.0 . . . . . . . . . . . . F . 87 GLN CB . . . . . . . . . rr_1aot 1 . 1 . 1415 . 1 1 87 GLN CD C -43.282 10.460 34.728 . . . 1.0 . . . . . . . . . . . . F . 87 GLN CD . . . . . . . . . rr_1aot 1 . 1 . 1416 . 1 1 87 GLN CG C -43.251 9.556 33.494 . . . 1.0 . . . . . . . . . . . . F . 87 GLN CG . . . . . . . . . rr_1aot 1 . 1 . 1417 . 1 1 87 GLN H H -43.367 11.341 29.884 . . . 1.0 . . . . . . . . . . . . F . 87 GLN H . . . . . . . . . rr_1aot 1 . 1 . 1418 . 1 1 87 GLN HA H -42.038 9.129 31.163 . . . 1.0 . . . . . . . . . . . . F . 87 GLN HA . . . . . . . . . rr_1aot 1 . 1 . 1419 . 1 1 87 GLN HB2 H -42.729 11.257 32.294 . . . 1.0 . . . . . . . . . . . . F . 87 GLN HB2 . . . . . . . . . rr_1aot 1 . 1 . 1420 . 1 1 87 GLN HB3 H -44.400 10.743 32.135 . . . 1.0 . . . . . . . . . . . . F . 87 GLN HB3 . . . . . . . . . rr_1aot 1 . 1 . 1421 . 1 1 87 GLN HE21 H -44.635 9.358 35.676 . . . 1.0 . . . . . . . . . . . . F . 87 GLN HE21 . . . . . . . . . rr_1aot 1 . 1 . 1422 . 1 1 87 GLN HE22 H -44.097 10.730 36.519 . . . 1.0 . . . . . . . . . . . . F . 87 GLN HE22 . . . . . . . . . rr_1aot 1 . 1 . 1423 . 1 1 87 GLN HG2 H -44.076 8.860 33.535 . . . 1.0 . . . . . . . . . . . . F . 87 GLN HG2 . . . . . . . . . rr_1aot 1 . 1 . 1424 . 1 1 87 GLN HG3 H -42.320 9.012 33.467 . . . 1.0 . . . . . . . . . . . . F . 87 GLN HG3 . . . . . . . . . rr_1aot 1 . 1 . 1425 . 1 1 87 GLN N N -42.990 10.438 29.827 . . . 1.0 . . . . . . . . . . . . F . 87 GLN N . . . . . . . . . rr_1aot 1 . 1 . 1426 . 1 1 87 GLN NE2 N -44.070 10.158 35.724 . . . 1.0 . . . . . . . . . . . . F . 87 GLN NE2 . . . . . . . . . rr_1aot 1 . 1 . 1427 . 1 1 87 GLN O O -43.866 7.335 31.190 . . . 1.0 . . . . . . . . . . . . F . 87 GLN O . . . . . . . . . rr_1aot 1 . 1 . 1428 . 1 1 87 GLN OE1 O -42.582 11.451 34.787 . . . 1.0 . . . . . . . . . . . . F . 87 GLN OE1 . . . . . . . . . rr_1aot 1 . 1 . 1429 . 1 1 88 HIS C C -46.038 7.045 28.913 . . . 1.0 . . . . . . . . . . . . F . 88 HIS C . . . . . . . . . rr_1aot 1 . 1 . 1430 . 1 1 88 HIS CA C -46.301 7.899 30.145 . . . 1.0 . . . . . . . . . . . . F . 88 HIS CA . . . . . . . . . rr_1aot 1 . 1 . 1431 . 1 1 88 HIS CB C -47.597 8.678 29.947 . . . 1.0 . . . . . . . . . . . . F . 88 HIS CB . . . . . . . . . rr_1aot 1 . 1 . 1432 . 1 1 88 HIS CD2 C -49.674 7.106 29.597 . . . 1.0 . . . . . . . . . . . . F . 88 HIS CD2 . . . . . . . . . rr_1aot 1 . 1 . 1433 . 1 1 88 HIS CE1 C -50.204 6.818 31.678 . . . 1.0 . . . . . . . . . . . . F . 88 HIS CE1 . . . . . . . . . rr_1aot 1 . 1 . 1434 . 1 1 88 HIS CG C -48.768 7.822 30.341 . . . 1.0 . . . . . . . . . . . . F . 88 HIS CG . . . . . . . . . rr_1aot 1 . 1 . 1435 . 1 1 88 HIS H H -45.321 9.795 30.085 . . . 1.0 . . . . . . . . . . . . F . 88 HIS H . . . . . . . . . rr_1aot 1 . 1 . 1436 . 1 1 88 HIS HA H -46.385 7.278 31.013 . . . 1.0 . . . . . . . . . . . . F . 88 HIS HA . . . . . . . . . rr_1aot 1 . 1 . 1437 . 1 1 88 HIS HB2 H -47.574 9.566 30.557 . . . 1.0 . . . . . . . . . . . . F . 88 HIS HB2 . . . . . . . . . rr_1aot 1 . 1 . 1438 . 1 1 88 HIS HB3 H -47.686 8.960 28.910 . . . 1.0 . . . . . . . . . . . . F . 88 HIS HB3 . . . . . . . . . rr_1aot 1 . 1 . 1439 . 1 1 88 HIS HD1 H -48.676 8.001 32.450 . . . 1.0 . . . . . . . . . . . . F . 88 HIS HD1 . . . . . . . . . rr_1aot 1 . 1 . 1440 . 1 1 88 HIS HD2 H -49.682 7.044 28.519 . . . 1.0 . . . . . . . . . . . . F . 88 HIS HD2 . . . . . . . . . rr_1aot 1 . 1 . 1441 . 1 1 88 HIS HE1 H -50.704 6.490 32.577 . . . 1.0 . . . . . . . . . . . . F . 88 HIS HE1 . . . . . . . . . rr_1aot 1 . 1 . 1442 . 1 1 88 HIS N N -45.194 8.863 30.335 . . . 1.0 . . . . . . . . . . . . F . 88 HIS N . . . . . . . . . rr_1aot 1 . 1 . 1443 . 1 1 88 HIS ND1 N -49.126 7.623 31.665 . . . 1.0 . . . . . . . . . . . . F . 88 HIS ND1 . . . . . . . . . rr_1aot 1 . 1 . 1444 . 1 1 88 HIS NE2 N -50.579 6.473 30.443 . . . 1.0 . . . . . . . . . . . . F . 88 HIS NE2 . . . . . . . . . rr_1aot 1 . 1 . 1445 . 1 1 88 HIS O O -46.281 5.852 28.894 . . . 1.0 . . . . . . . . . . . . F . 88 HIS O . . . . . . . . . rr_1aot 1 . 1 . 1446 . 1 1 89 TYR C C -44.093 5.949 26.883 . . . 1.0 . . . . . . . . . . . . F . 89 TYR C . . . . . . . . . rr_1aot 1 . 1 . 1447 . 1 1 89 TYR CA C -45.278 6.885 26.641 . . . 1.0 . . . . . . . . . . . . F . 89 TYR CA . . . . . . . . . rr_1aot 1 . 1 . 1448 . 1 1 89 TYR CB C -44.946 7.835 25.487 . . . 1.0 . . . . . . . . . . . . F . 89 TYR CB . . . . . . . . . rr_1aot 1 . 1 . 1449 . 1 1 89 TYR CD1 C -46.940 9.295 25.945 . . . 1.0 . . . . . . . . . . . . F . 89 TYR CD1 . . . . . . . . . rr_1aot 1 . 1 . 1450 . 1 1 89 TYR CD2 C -46.563 8.531 23.680 . . . 1.0 . . . . . . . . . . . . F . 89 TYR CD2 . . . . . . . . . rr_1aot 1 . 1 . 1451 . 1 1 89 TYR CE1 C -48.073 9.991 25.526 . . . 1.0 . . . . . . . . . . . . F . 89 TYR CE1 . . . . . . . . . rr_1aot 1 . 1 . 1452 . 1 1 89 TYR CE2 C -47.702 9.226 23.257 . . . 1.0 . . . . . . . . . . . . F . 89 TYR CE2 . . . . . . . . . rr_1aot 1 . 1 . 1453 . 1 1 89 TYR CG C -46.184 8.566 25.028 . . . 1.0 . . . . . . . . . . . . F . 89 TYR CG . . . . . . . . . rr_1aot 1 . 1 . 1454 . 1 1 89 TYR CZ C -48.458 9.957 24.181 . . . 1.0 . . . . . . . . . . . . F . 89 TYR CZ . . . . . . . . . rr_1aot 1 . 1 . 1455 . 1 1 89 TYR H H -45.364 8.609 27.920 . . . 1.0 . . . . . . . . . . . . F . 89 TYR H . . . . . . . . . rr_1aot 1 . 1 . 1456 . 1 1 89 TYR HA H -46.152 6.312 26.396 . . . 1.0 . . . . . . . . . . . . F . 89 TYR HA . . . . . . . . . rr_1aot 1 . 1 . 1457 . 1 1 89 TYR HB2 H -44.214 8.553 25.814 . . . 1.0 . . . . . . . . . . . . F . 89 TYR HB2 . . . . . . . . . rr_1aot 1 . 1 . 1458 . 1 1 89 TYR HB3 H -44.547 7.266 24.668 . . . 1.0 . . . . . . . . . . . . F . 89 TYR HB3 . . . . . . . . . rr_1aot 1 . 1 . 1459 . 1 1 89 TYR HD1 H -46.651 9.320 26.978 . . . 1.0 . . . . . . . . . . . . F . 89 TYR HD1 . . . . . . . . . rr_1aot 1 . 1 . 1460 . 1 1 89 TYR HD2 H -45.980 7.964 22.968 . . . 1.0 . . . . . . . . . . . . F . 89 TYR HD2 . . . . . . . . . rr_1aot 1 . 1 . 1461 . 1 1 89 TYR HE1 H -48.649 10.553 26.242 . . . 1.0 . . . . . . . . . . . . F . 89 TYR HE1 . . . . . . . . . rr_1aot 1 . 1 . 1462 . 1 1 89 TYR HE2 H -47.997 9.199 22.218 . . . 1.0 . . . . . . . . . . . . F . 89 TYR HE2 . . . . . . . . . rr_1aot 1 . 1 . 1463 . 1 1 89 TYR HH H -50.283 10.008 23.623 . . . 1.0 . . . . . . . . . . . . F . 89 TYR HH . . . . . . . . . rr_1aot 1 . 1 . 1464 . 1 1 89 TYR N N -45.548 7.652 27.879 . . . 1.0 . . . . . . . . . . . . F . 89 TYR N . . . . . . . . . rr_1aot 1 . 1 . 1465 . 1 1 89 TYR O O -43.921 4.953 26.209 . . . 1.0 . . . . . . . . . . . . F . 89 TYR O . . . . . . . . . rr_1aot 1 . 1 . 1466 . 1 1 89 TYR OH O -49.580 10.646 23.765 . . . 1.0 . . . . . . . . . . . . F . 89 TYR OH . . . . . . . . . rr_1aot 1 . 1 . 1467 . 1 1 90 SER C C -42.601 4.006 28.481 . . . 1.0 . . . . . . . . . . . . F . 90 SER C . . . . . . . . . rr_1aot 1 . 1 . 1468 . 1 1 90 SER CA C -42.106 5.406 28.149 . . . 1.0 . . . . . . . . . . . . F . 90 SER CA . . . . . . . . . rr_1aot 1 . 1 . 1469 . 1 1 90 SER CB C -41.343 5.979 29.345 . . . 1.0 . . . . . . . . . . . . F . 90 SER CB . . . . . . . . . rr_1aot 1 . 1 . 1470 . 1 1 90 SER H H -43.441 7.061 28.376 . . . 1.0 . . . . . . . . . . . . F . 90 SER H . . . . . . . . . rr_1aot 1 . 1 . 1471 . 1 1 90 SER HA H -41.459 5.372 27.290 . . . 1.0 . . . . . . . . . . . . F . 90 SER HA . . . . . . . . . rr_1aot 1 . 1 . 1472 . 1 1 90 SER HB2 H -41.865 6.846 29.723 . . . 1.0 . . . . . . . . . . . . F . 90 SER HB2 . . . . . . . . . rr_1aot 1 . 1 . 1473 . 1 1 90 SER HB3 H -41.277 5.232 30.122 . . . 1.0 . . . . . . . . . . . . F . 90 SER HB3 . . . . . . . . . rr_1aot 1 . 1 . 1474 . 1 1 90 SER HG H -39.408 5.921 29.520 . . . 1.0 . . . . . . . . . . . . F . 90 SER HG . . . . . . . . . rr_1aot 1 . 1 . 1475 . 1 1 90 SER N N -43.278 6.264 27.848 . . . 1.0 . . . . . . . . . . . . F . 90 SER N . . . . . . . . . rr_1aot 1 . 1 . 1476 . 1 1 90 SER O O -41.957 3.017 28.189 . . . 1.0 . . . . . . . . . . . . F . 90 SER O . . . . . . . . . rr_1aot 1 . 1 . 1477 . 1 1 90 SER OG O -40.036 6.355 28.938 . . . 1.0 . . . . . . . . . . . . F . 90 SER OG . . . . . . . . . rr_1aot 1 . 1 . 1478 . 1 1 91 GLU C C -45.339 2.189 28.379 . . . 1.0 . . . . . . . . . . . . F . 91 GLU C . . . . . . . . . rr_1aot 1 . 1 . 1479 . 1 1 91 GLU CA C -44.307 2.589 29.433 . . . 1.0 . . . . . . . . . . . . F . 91 GLU CA . . . . . . . . . rr_1aot 1 . 1 . 1480 . 1 1 91 GLU CB C -44.979 2.659 30.806 . . . 1.0 . . . . . . . . . . . . F . 91 GLU CB . . . . . . . . . rr_1aot 1 . 1 . 1481 . 1 1 91 GLU CD C -44.058 2.801 33.124 . . . 1.0 . . . . . . . . . . . . F . 91 GLU CD . . . . . . . . . rr_1aot 1 . 1 . 1482 . 1 1 91 GLU CG C -44.111 3.486 31.757 . . . 1.0 . . . . . . . . . . . . F . 91 GLU CG . . . . . . . . . rr_1aot 1 . 1 . 1483 . 1 1 91 GLU H H -44.252 4.731 29.302 . . . 1.0 . . . . . . . . . . . . F . 91 GLU H . . . . . . . . . rr_1aot 1 . 1 . 1484 . 1 1 91 GLU HA H -43.512 1.859 29.456 . . . 1.0 . . . . . . . . . . . . F . 91 GLU HA . . . . . . . . . rr_1aot 1 . 1 . 1485 . 1 1 91 GLU HB2 H -45.949 3.123 30.709 . . . 1.0 . . . . . . . . . . . . F . 91 GLU HB2 . . . . . . . . . rr_1aot 1 . 1 . 1486 . 1 1 91 GLU HB3 H -45.095 1.660 31.201 . . . 1.0 . . . . . . . . . . . . F . 91 GLU HB3 . . . . . . . . . rr_1aot 1 . 1 . 1487 . 1 1 91 GLU HG2 H -43.112 3.565 31.355 . . . 1.0 . . . . . . . . . . . . F . 91 GLU HG2 . . . . . . . . . rr_1aot 1 . 1 . 1488 . 1 1 91 GLU HG3 H -44.536 4.473 31.865 . . . 1.0 . . . . . . . . . . . . F . 91 GLU HG3 . . . . . . . . . rr_1aot 1 . 1 . 1489 . 1 1 91 GLU N N -43.751 3.918 29.084 . . . 1.0 . . . . . . . . . . . . F . 91 GLU N . . . . . . . . . rr_1aot 1 . 1 . 1490 . 1 1 91 GLU O O -45.759 1.051 28.315 . . . 1.0 . . . . . . . . . . . . F . 91 GLU O . . . . . . . . . rr_1aot 1 . 1 . 1491 . 1 1 91 GLU OE1 O -44.932 1.993 33.394 . . . 1.0 . . . . . . . . . . . . F . 91 GLU OE1 . . . . . . . . . rr_1aot 1 . 1 . 1492 . 1 1 91 GLU OE2 O -43.145 3.096 33.877 . . . 1.0 . . . . . . . . . . . . F . 91 GLU OE2 . . . . . . . . . rr_1aot 1 . 1 . 1493 . 1 1 92 ARG C C -46.575 3.570 25.242 . . . 1.0 . . . . . . . . . . . . F . 92 ARG C . . . . . . . . . rr_1aot 1 . 1 . 1494 . 1 1 92 ARG CA C -46.775 2.743 26.514 . . . 1.0 . . . . . . . . . . . . F . 92 ARG CA . . . . . . . . . rr_1aot 1 . 1 . 1495 . 1 1 92 ARG CB C -48.178 3.000 27.068 . . . 1.0 . . . . . . . . . . . . F . 92 ARG CB . . . . . . . . . rr_1aot 1 . 1 . 1496 . 1 1 92 ARG CD C -49.681 2.621 29.027 . . . 1.0 . . . . . . . . . . . . F . 92 ARG CD . . . . . . . . . rr_1aot 1 . 1 . 1497 . 1 1 92 ARG CG C -48.232 2.579 28.538 . . . 1.0 . . . . . . . . . . . . F . 92 ARG CG . . . . . . . . . rr_1aot 1 . 1 . 1498 . 1 1 92 ARG CZ C -50.645 1.236 30.765 . . . 1.0 . . . . . . . . . . . . F . 92 ARG CZ . . . . . . . . . rr_1aot 1 . 1 . 1499 . 1 1 92 ARG H H -45.416 4.042 27.615 . . . 1.0 . . . . . . . . . . . . F . 92 ARG H . . . . . . . . . rr_1aot 1 . 1 . 1500 . 1 1 92 ARG HA H -46.675 1.694 26.276 . . . 1.0 . . . . . . . . . . . . F . 92 ARG HA . . . . . . . . . rr_1aot 1 . 1 . 1501 . 1 1 92 ARG HB2 H -48.410 4.051 26.985 . . . 1.0 . . . . . . . . . . . . F . 92 ARG HB2 . . . . . . . . . rr_1aot 1 . 1 . 1502 . 1 1 92 ARG HB3 H -48.898 2.427 26.503 . . . 1.0 . . . . . . . . . . . . F . 92 ARG HB3 . . . . . . . . . rr_1aot 1 . 1 . 1503 . 1 1 92 ARG HD2 H -50.044 3.637 28.990 . . . 1.0 . . . . . . . . . . . . F . 92 ARG HD2 . . . . . . . . . rr_1aot 1 . 1 . 1504 . 1 1 92 ARG HD3 H -50.292 1.996 28.393 . . . 1.0 . . . . . . . . . . . . F . 92 ARG HD3 . . . . . . . . . rr_1aot 1 . 1 . 1505 . 1 1 92 ARG HE H -49.114 2.456 31.099 . . . 1.0 . . . . . . . . . . . . F . 92 ARG HE . . . . . . . . . rr_1aot 1 . 1 . 1506 . 1 1 92 ARG HG2 H -47.846 1.576 28.639 . . . 1.0 . . . . . . . . . . . . F . 92 ARG HG2 . . . . . . . . . rr_1aot 1 . 1 . 1507 . 1 1 92 ARG HG3 H -47.633 3.257 29.128 . . . 1.0 . . . . . . . . . . . . F . 92 ARG HG3 . . . . . . . . . rr_1aot 1 . 1 . 1508 . 1 1 92 ARG HH11 H -52.193 2.468 30.459 . . . 1.0 . . . . . . . . . . . . F . 92 ARG HH11 . . . . . . . . . rr_1aot 1 . 1 . 1509 . 1 1 92 ARG HH12 H -52.600 0.872 30.995 . . . 1.0 . . . . . . . . . . . . F . 92 ARG HH12 . . . . . . . . . rr_1aot 1 . 1 . 1510 . 1 1 92 ARG HH21 H -49.307 -0.202 31.150 . . . 1.0 . . . . . . . . . . . . F . 92 ARG HH21 . . . . . . . . . rr_1aot 1 . 1 . 1511 . 1 1 92 ARG HH22 H -50.966 -0.640 31.386 . . . 1.0 . . . . . . . . . . . . F . 92 ARG HH22 . . . . . . . . . rr_1aot 1 . 1 . 1512 . 1 1 92 ARG N N -45.760 3.112 27.551 . . . 1.0 . . . . . . . . . . . . F . 92 ARG N . . . . . . . . . rr_1aot 1 . 1 . 1513 . 1 1 92 ARG NE N -49.746 2.121 30.429 . . . 1.0 . . . . . . . . . . . . F . 92 ARG NE . . . . . . . . . rr_1aot 1 . 1 . 1514 . 1 1 92 ARG NH1 N -51.912 1.550 30.737 . . . 1.0 . . . . . . . . . . . . F . 92 ARG NH1 . . . . . . . . . rr_1aot 1 . 1 . 1515 . 1 1 92 ARG NH2 N -50.277 0.038 31.128 . . . 1.0 . . . . . . . . . . . . F . 92 ARG NH2 . . . . . . . . . rr_1aot 1 . 1 . 1516 . 1 1 92 ARG O O -45.992 4.630 25.262 . . . 1.0 . . . . . . . . . . . . F . 92 ARG O . . . . . . . . . rr_1aot 1 . 1 . 1517 . 1 1 93 ALA C C -47.947 5.003 22.862 . . . 1.0 . . . . . . . . . . . . F . 93 ALA C . . . . . . . . . rr_1aot 1 . 1 . 1518 . 1 1 93 ALA CA C -46.919 3.872 22.865 . . . 1.0 . . . . . . . . . . . . F . 93 ALA CA . . . . . . . . . rr_1aot 1 . 1 . 1519 . 1 1 93 ALA CB C -47.162 2.957 21.660 . . . 1.0 . . . . . . . . . . . . F . 93 ALA CB . . . . . . . . . rr_1aot 1 . 1 . 1520 . 1 1 93 ALA H H -47.549 2.242 24.128 . . . 1.0 . . . . . . . . . . . . F . 93 ALA H . . . . . . . . . rr_1aot 1 . 1 . 1521 . 1 1 93 ALA HA H -45.924 4.287 22.812 . . . 1.0 . . . . . . . . . . . . F . 93 ALA HA . . . . . . . . . rr_1aot 1 . 1 . 1522 . 1 1 93 ALA HB1 H -46.572 2.059 21.765 . . . 1.0 . . . . . . . . . . . . F . 93 ALA HB1 . . . . . . . . . rr_1aot 1 . 1 . 1523 . 1 1 93 ALA HB2 H -48.208 2.696 21.610 . . . 1.0 . . . . . . . . . . . . F . 93 ALA HB2 . . . . . . . . . rr_1aot 1 . 1 . 1524 . 1 1 93 ALA HB3 H -46.876 3.472 20.752 . . . 1.0 . . . . . . . . . . . . F . 93 ALA HB3 . . . . . . . . . rr_1aot 1 . 1 . 1525 . 1 1 93 ALA N N -47.070 3.097 24.129 . . . 1.0 . . . . . . . . . . . . F . 93 ALA N . . . . . . . . . rr_1aot 1 . 1 . 1526 . 1 1 93 ALA O O -47.695 6.076 22.356 . . . 1.0 . . . . . . . . . . . . F . 93 ALA O . . . . . . . . . rr_1aot 1 . 1 . 1527 . 1 1 94 ALA C C -51.111 5.595 22.286 . . . 1.0 . . . . . . . . . . . . F . 94 ALA C . . . . . . . . . rr_1aot 1 . 1 . 1528 . 1 1 94 ALA CA C -50.187 5.776 23.486 . . . 1.0 . . . . . . . . . . . . F . 94 ALA CA . . . . . . . . . rr_1aot 1 . 1 . 1529 . 1 1 94 ALA CB C -49.603 7.190 23.480 . . . 1.0 . . . . . . . . . . . . F . 94 ALA CB . . . . . . . . . rr_1aot 1 . 1 . 1530 . 1 1 94 ALA H H -49.261 3.868 23.818 . . . 1.0 . . . . . . . . . . . . F . 94 ALA H . . . . . . . . . rr_1aot 1 . 1 . 1531 . 1 1 94 ALA HA H -50.758 5.632 24.393 . . . 1.0 . . . . . . . . . . . . F . 94 ALA HA . . . . . . . . . rr_1aot 1 . 1 . 1532 . 1 1 94 ALA HB1 H -48.612 7.171 23.909 . . . 1.0 . . . . . . . . . . . . F . 94 ALA HB1 . . . . . . . . . rr_1aot 1 . 1 . 1533 . 1 1 94 ALA HB2 H -49.549 7.552 22.464 . . . 1.0 . . . . . . . . . . . . F . 94 ALA HB2 . . . . . . . . . rr_1aot 1 . 1 . 1534 . 1 1 94 ALA HB3 H -50.236 7.843 24.062 . . . 1.0 . . . . . . . . . . . . F . 94 ALA HB3 . . . . . . . . . rr_1aot 1 . 1 . 1535 . 1 1 94 ALA N N -49.102 4.751 23.428 . . . 1.0 . . . . . . . . . . . . F . 94 ALA N . . . . . . . . . rr_1aot 1 . 1 . 1536 . 1 1 94 ALA O O -52.245 6.032 22.294 . . . 1.0 . . . . . . . . . . . . F . 94 ALA O . . . . . . . . . rr_1aot 1 . 1 . 1537 . 1 1 95 GLY C C -50.715 4.831 18.777 . . . 1.0 . . . . . . . . . . . . F . 95 GLY C . . . . . . . . . rr_1aot 1 . 1 . 1538 . 1 1 95 GLY CA C -51.522 4.731 20.074 . . . 1.0 . . . . . . . . . . . . F . 95 GLY CA . . . . . . . . . rr_1aot 1 . 1 . 1539 . 1 1 95 GLY H H -49.734 4.585 21.266 . . . 1.0 . . . . . . . . . . . . F . 95 GLY H . . . . . . . . . rr_1aot 1 . 1 . 1540 . 1 1 95 GLY HA2 H -51.976 3.752 20.136 . . . 1.0 . . . . . . . . . . . . F . 95 GLY HA2 . . . . . . . . . rr_1aot 1 . 1 . 1541 . 1 1 95 GLY HA3 H -52.295 5.481 20.073 . . . 1.0 . . . . . . . . . . . . F . 95 GLY HA3 . . . . . . . . . rr_1aot 1 . 1 . 1542 . 1 1 95 GLY N N -50.647 4.941 21.256 . . . 1.0 . . . . . . . . . . . . F . 95 GLY N . . . . . . . . . rr_1aot 1 . 1 . 1543 . 1 1 95 GLY O O -51.140 4.357 17.742 . . . 1.0 . . . . . . . . . . . . F . 95 GLY O . . . . . . . . . rr_1aot 1 . 1 . 1544 . 1 1 96 LEU C C -48.031 4.252 17.275 . . . 1.0 . . . . . . . . . . . . F . 96 LEU C . . . . . . . . . rr_1aot 1 . 1 . 1545 . 1 1 96 LEU CA C -48.772 5.565 17.552 . . . 1.0 . . . . . . . . . . . . F . 96 LEU CA . . . . . . . . . rr_1aot 1 . 1 . 1546 . 1 1 96 LEU CB C -47.782 6.726 17.673 . . . 1.0 . . . . . . . . . . . . F . 96 LEU CB . . . . . . . . . rr_1aot 1 . 1 . 1547 . 1 1 96 LEU CD1 C -45.666 7.534 18.688 . . . 1.0 . . . . . . . . . . . . F . 96 LEU CD1 . . . . . . . . . rr_1aot 1 . 1 . 1548 . 1 1 96 LEU CD2 C -47.023 5.838 19.892 . . . 1.0 . . . . . . . . . . . . F . 96 LEU CD2 . . . . . . . . . rr_1aot 1 . 1 . 1549 . 1 1 96 LEU CG C -46.575 6.321 18.516 . . . 1.0 . . . . . . . . . . . . F . 96 LEU CG . . . . . . . . . rr_1aot 1 . 1 . 1550 . 1 1 96 LEU H H -49.226 5.839 19.637 . . . 1.0 . . . . . . . . . . . . F . 96 LEU H . . . . . . . . . rr_1aot 1 . 1 . 1551 . 1 1 96 LEU HA H -49.447 5.763 16.732 . . . 1.0 . . . . . . . . . . . . F . 96 LEU HA . . . . . . . . . rr_1aot 1 . 1 . 1552 . 1 1 96 LEU HB2 H -47.444 7.008 16.686 . . . 1.0 . . . . . . . . . . . . F . 96 LEU HB2 . . . . . . . . . rr_1aot 1 . 1 . 1553 . 1 1 96 LEU HB3 H -48.274 7.568 18.136 . . . 1.0 . . . . . . . . . . . . F . 96 LEU HB3 . . . . . . . . . rr_1aot 1 . 1 . 1554 . 1 1 96 LEU HD11 H -46.273 8.422 18.793 . . . 1.0 . . . . . . . . . . . . F . 96 LEU HD11 . . . . . . . . . rr_1aot 1 . 1 . 1555 . 1 1 96 LEU HD12 H -45.059 7.406 19.572 . . . 1.0 . . . . . . . . . . . . F . 96 LEU HD12 . . . . . . . . . rr_1aot 1 . 1 . 1556 . 1 1 96 LEU HD13 H -45.028 7.633 17.822 . . . 1.0 . . . . . . . . . . . . F . 96 LEU HD13 . . . . . . . . . rr_1aot 1 . 1 . 1557 . 1 1 96 LEU HD21 H -47.663 6.583 20.340 . . . 1.0 . . . . . . . . . . . . F . 96 LEU HD21 . . . . . . . . . rr_1aot 1 . 1 . 1558 . 1 1 96 LEU HD22 H -47.567 4.912 19.789 . . . 1.0 . . . . . . . . . . . . F . 96 LEU HD22 . . . . . . . . . rr_1aot 1 . 1 . 1559 . 1 1 96 LEU HD23 H -46.158 5.681 20.519 . . . 1.0 . . . . . . . . . . . . F . 96 LEU HD23 . . . . . . . . . rr_1aot 1 . 1 . 1560 . 1 1 96 LEU HG H -46.041 5.533 18.020 . . . 1.0 . . . . . . . . . . . . F . 96 LEU HG . . . . . . . . . rr_1aot 1 . 1 . 1561 . 1 1 96 LEU N N -49.563 5.448 18.805 . . . 1.0 . . . . . . . . . . . . F . 96 LEU N . . . . . . . . . rr_1aot 1 . 1 . 1562 . 1 1 96 LEU O O -48.014 3.349 18.088 . . . 1.0 . . . . . . . . . . . . F . 96 LEU O . . . . . . . . . rr_1aot 1 . 1 . 1563 . 1 1 97 SER C C -45.834 2.413 16.894 . . . 1.0 . . . . . . . . . . . . F . 97 SER C . . . . . . . . . rr_1aot 1 . 1 . 1564 . 1 1 97 SER CA C -46.722 2.885 15.745 . . . 1.0 . . . . . . . . . . . . F . 97 SER CA . . . . . . . . . rr_1aot 1 . 1 . 1565 . 1 1 97 SER CB C -45.856 3.147 14.511 . . . 1.0 . . . . . . . . . . . . F . 97 SER CB . . . . . . . . . rr_1aot 1 . 1 . 1566 . 1 1 97 SER H H -47.489 4.877 15.478 . . . 1.0 . . . . . . . . . . . . F . 97 SER H . . . . . . . . . rr_1aot 1 . 1 . 1567 . 1 1 97 SER HA H -47.441 2.117 15.516 . . . 1.0 . . . . . . . . . . . . F . 97 SER HA . . . . . . . . . rr_1aot 1 . 1 . 1568 . 1 1 97 SER HB2 H -46.175 4.062 14.035 . . . 1.0 . . . . . . . . . . . . F . 97 SER HB2 . . . . . . . . . rr_1aot 1 . 1 . 1569 . 1 1 97 SER HB3 H -44.822 3.237 14.810 . . . 1.0 . . . . . . . . . . . . F . 97 SER HB3 . . . . . . . . . rr_1aot 1 . 1 . 1570 . 1 1 97 SER HG H -45.224 2.064 13.025 . . . 1.0 . . . . . . . . . . . . F . 97 SER HG . . . . . . . . . rr_1aot 1 . 1 . 1571 . 1 1 97 SER N N -47.443 4.138 16.116 . . . 1.0 . . . . . . . . . . . . F . 97 SER N . . . . . . . . . rr_1aot 1 . 1 . 1572 . 1 1 97 SER O O -45.827 1.251 17.248 . . . 1.0 . . . . . . . . . . . . F . 97 SER O . . . . . . . . . rr_1aot 1 . 1 . 1573 . 1 1 97 SER OG O -45.993 2.066 13.600 . . . 1.0 . . . . . . . . . . . . F . 97 SER OG . . . . . . . . . rr_1aot 1 . 1 . 1574 . 1 1 98 SER C C -44.122 4.002 19.635 . . . 1.0 . . . . . . . . . . . . F . 98 SER C . . . . . . . . . rr_1aot 1 . 1 . 1575 . 1 1 98 SER CA C -44.189 2.886 18.596 . . . 1.0 . . . . . . . . . . . . F . 98 SER CA . . . . . . . . . rr_1aot 1 . 1 . 1576 . 1 1 98 SER CB C -42.786 2.602 18.058 . . . 1.0 . . . . . . . . . . . . F . 98 SER CB . . . . . . . . . rr_1aot 1 . 1 . 1577 . 1 1 98 SER H H -45.099 4.229 17.173 . . . 1.0 . . . . . . . . . . . . F . 98 SER H . . . . . . . . . rr_1aot 1 . 1 . 1578 . 1 1 98 SER HA H -44.583 1.992 19.056 . . . 1.0 . . . . . . . . . . . . F . 98 SER HA . . . . . . . . . rr_1aot 1 . 1 . 1579 . 1 1 98 SER HB2 H -42.787 2.688 16.982 . . . 1.0 . . . . . . . . . . . . F . 98 SER HB2 . . . . . . . . . rr_1aot 1 . 1 . 1580 . 1 1 98 SER HB3 H -42.090 3.315 18.476 . . . 1.0 . . . . . . . . . . . . F . 98 SER HB3 . . . . . . . . . rr_1aot 1 . 1 . 1581 . 1 1 98 SER HG H -42.029 0.858 17.651 . . . 1.0 . . . . . . . . . . . . F . 98 SER HG . . . . . . . . . rr_1aot 1 . 1 . 1582 . 1 1 98 SER N N -45.081 3.298 17.475 . . . 1.0 . . . . . . . . . . . . F . 98 SER N . . . . . . . . . rr_1aot 1 . 1 . 1583 . 1 1 98 SER O O -44.482 5.131 19.374 . . . 1.0 . . . . . . . . . . . . F . 98 SER O . . . . . . . . . rr_1aot 1 . 1 . 1584 . 1 1 98 SER OG O -42.395 1.288 18.428 . . . 1.0 . . . . . . . . . . . . F . 98 SER OG . . . . . . . . . rr_1aot 1 . 1 . 1585 . 1 1 99 ARG C C -42.330 5.579 21.700 . . . 1.0 . . . . . . . . . . . . F . 99 ARG C . . . . . . . . . rr_1aot 1 . 1 . 1586 . 1 1 99 ARG CA C -43.593 4.733 21.875 . . . 1.0 . . . . . . . . . . . . F . 99 ARG CA . . . . . . . . . rr_1aot 1 . 1 . 1587 . 1 1 99 ARG CB C -43.564 4.058 23.248 . . . 1.0 . . . . . . . . . . . . F . 99 ARG CB . . . . . . . . . rr_1aot 1 . 1 . 1588 . 1 1 99 ARG CD C -42.174 2.721 24.836 . . . 1.0 . . . . . . . . . . . . F . 99 ARG CD . . . . . . . . . rr_1aot 1 . 1 . 1589 . 1 1 99 ARG CG C -42.207 3.381 23.456 . . . 1.0 . . . . . . . . . . . . F . 99 ARG CG . . . . . . . . . rr_1aot 1 . 1 . 1590 . 1 1 99 ARG CZ C -41.737 0.356 25.127 . . . 1.0 . . . . . . . . . . . . F . 99 ARG CZ . . . . . . . . . rr_1aot 1 . 1 . 1591 . 1 1 99 ARG H H -43.390 2.774 21.009 . . . 1.0 . . . . . . . . . . . . F . 99 ARG H . . . . . . . . . rr_1aot 1 . 1 . 1592 . 1 1 99 ARG HA H -44.462 5.372 21.813 . . . 1.0 . . . . . . . . . . . . F . 99 ARG HA . . . . . . . . . rr_1aot 1 . 1 . 1593 . 1 1 99 ARG HB2 H -43.718 4.799 24.018 . . . 1.0 . . . . . . . . . . . . F . 99 ARG HB2 . . . . . . . . . rr_1aot 1 . 1 . 1594 . 1 1 99 ARG HB3 H -44.347 3.316 23.301 . . . 1.0 . . . . . . . . . . . . F . 99 ARG HB3 . . . . . . . . . rr_1aot 1 . 1 . 1595 . 1 1 99 ARG HD2 H -41.803 3.427 25.564 . . . 1.0 . . . . . . . . . . . . F . 99 ARG HD2 . . . . . . . . . rr_1aot 1 . 1 . 1596 . 1 1 99 ARG HD3 H -43.171 2.410 25.110 . . . 1.0 . . . . . . . . . . . . F . 99 ARG HD3 . . . . . . . . . rr_1aot 1 . 1 . 1597 . 1 1 99 ARG HE H -40.341 1.633 24.523 . . . 1.0 . . . . . . . . . . . . F . 99 ARG HE . . . . . . . . . rr_1aot 1 . 1 . 1598 . 1 1 99 ARG HG2 H -42.058 2.631 22.694 . . . 1.0 . . . . . . . . . . . . F . 99 ARG HG2 . . . . . . . . . rr_1aot 1 . 1 . 1599 . 1 1 99 ARG HG3 H -41.423 4.121 23.391 . . . 1.0 . . . . . . . . . . . . F . 99 ARG HG3 . . . . . . . . . rr_1aot 1 . 1 . 1600 . 1 1 99 ARG HH11 H -43.492 0.613 24.198 . . . 1.0 . . . . . . . . . . . . F . 99 ARG HH11 . . . . . . . . . rr_1aot 1 . 1 . 1601 . 1 1 99 ARG HH12 H -43.283 -0.909 24.998 . . . 1.0 . . . . . . . . . . . . F . 99 ARG HH12 . . . . . . . . . rr_1aot 1 . 1 . 1602 . 1 1 99 ARG HH21 H -40.090 -0.174 26.135 . . . 1.0 . . . . . . . . . . . . F . 99 ARG HH21 . . . . . . . . . rr_1aot 1 . 1 . 1603 . 1 1 99 ARG HH22 H -41.357 -1.355 26.094 . . . 1.0 . . . . . . . . . . . . F . 99 ARG HH22 . . . . . . . . . rr_1aot 1 . 1 . 1604 . 1 1 99 ARG N N -43.671 3.693 20.816 . . . 1.0 . . . . . . . . . . . . F . 99 ARG N . . . . . . . . . rr_1aot 1 . 1 . 1605 . 1 1 99 ARG NE N -41.277 1.532 24.797 . . . 1.0 . . . . . . . . . . . . F . 99 ARG NE . . . . . . . . . rr_1aot 1 . 1 . 1606 . 1 1 99 ARG NH1 N -42.930 -0.008 24.745 . . . 1.0 . . . . . . . . . . . . F . 99 ARG NH1 . . . . . . . . . rr_1aot 1 . 1 . 1607 . 1 1 99 ARG NH2 N -41.004 -0.454 25.841 . . . 1.0 . . . . . . . . . . . . F . 99 ARG NH2 . . . . . . . . . rr_1aot 1 . 1 . 1608 . 1 1 99 ARG O O -41.528 5.354 20.815 . . . 1.0 . . . . . . . . . . . . F . 99 ARG O . . . . . . . . . rr_1aot 1 . 1 . 1609 . 1 1 100 LEU C C -39.694 6.614 22.374 . . . 1.0 . . . . . . . . . . . . F . 100 LEU C . . . . . . . . . rr_1aot 1 . 1 . 1610 . 1 1 100 LEU CA C -40.972 7.459 22.476 . . . 1.0 . . . . . . . . . . . . F . 100 LEU CA . . . . . . . . . rr_1aot 1 . 1 . 1611 . 1 1 100 LEU CB C -40.894 8.357 23.729 . . . 1.0 . . . . . . . . . . . . F . 100 LEU CB . . . . . . . . . rr_1aot 1 . 1 . 1612 . 1 1 100 LEU CD1 C -41.307 6.367 25.179 . . . 1.0 . . . . . . . . . . . . F . 100 LEU CD1 . . . . . . . . . rr_1aot 1 . 1 . 1613 . 1 1 100 LEU CD2 C -41.659 8.660 26.098 . . . 1.0 . . . . . . . . . . . . F . 100 LEU CD2 . . . . . . . . . rr_1aot 1 . 1 . 1614 . 1 1 100 LEU CG C -41.767 7.788 24.854 . . . 1.0 . . . . . . . . . . . . F . 100 LEU CG . . . . . . . . . rr_1aot 1 . 1 . 1615 . 1 1 100 LEU H H -42.850 6.699 23.227 . . . 1.0 . . . . . . . . . . . . F . 100 LEU H . . . . . . . . . rr_1aot 1 . 1 . 1616 . 1 1 100 LEU HA H -41.054 8.084 21.600 . . . 1.0 . . . . . . . . . . . . F . 100 LEU HA . . . . . . . . . rr_1aot 1 . 1 . 1617 . 1 1 100 LEU HB2 H -39.870 8.410 24.066 . . . 1.0 . . . . . . . . . . . . F . 100 LEU HB2 . . . . . . . . . rr_1aot 1 . 1 . 1618 . 1 1 100 LEU HB3 H -41.239 9.349 23.478 . . . 1.0 . . . . . . . . . . . . F . 100 LEU HB3 . . . . . . . . . rr_1aot 1 . 1 . 1619 . 1 1 100 LEU HD11 H -40.973 5.882 24.273 . . . 1.0 . . . . . . . . . . . . F . 100 LEU HD11 . . . . . . . . . rr_1aot 1 . 1 . 1620 . 1 1 100 LEU HD12 H -40.494 6.405 25.888 . . . 1.0 . . . . . . . . . . . . F . 100 LEU HD12 . . . . . . . . . rr_1aot 1 . 1 . 1621 . 1 1 100 LEU HD13 H -42.128 5.812 25.602 . . . 1.0 . . . . . . . . . . . . F . 100 LEU HD13 . . . . . . . . . rr_1aot 1 . 1 . 1622 . 1 1 100 LEU HD21 H -41.393 9.666 25.812 . . . 1.0 . . . . . . . . . . . . F . 100 LEU HD21 . . . . . . . . . rr_1aot 1 . 1 . 1623 . 1 1 100 LEU HD22 H -42.618 8.675 26.610 . . . 1.0 . . . . . . . . . . . . F . 100 LEU HD22 . . . . . . . . . rr_1aot 1 . 1 . 1624 . 1 1 100 LEU HD23 H -40.906 8.259 26.758 . . . 1.0 . . . . . . . . . . . . F . 100 LEU HD23 . . . . . . . . . rr_1aot 1 . 1 . 1625 . 1 1 100 LEU HG H -42.794 7.772 24.536 . . . 1.0 . . . . . . . . . . . . F . 100 LEU HG . . . . . . . . . rr_1aot 1 . 1 . 1626 . 1 1 100 LEU N N -42.170 6.557 22.547 . . . 1.0 . . . . . . . . . . . . F . 100 LEU N . . . . . . . . . rr_1aot 1 . 1 . 1627 . 1 1 100 LEU O O -39.749 5.406 22.267 . . . 1.0 . . . . . . . . . . . . F . 100 LEU O . . . . . . . . . rr_1aot 1 . 1 . 1628 . 1 1 101 VAL C C -37.358 5.184 23.115 . . . 1.0 . . . . . . . . . . . . F . 101 VAL C . . . . . . . . . rr_1aot 1 . 1 . 1629 . 1 1 101 VAL CA C -37.266 6.469 22.292 . . . 1.0 . . . . . . . . . . . . F . 101 VAL CA . . . . . . . . . rr_1aot 1 . 1 . 1630 . 1 1 101 VAL CB C -36.091 7.313 22.797 . . . 1.0 . . . . . . . . . . . . F . 101 VAL CB . . . . . . . . . rr_1aot 1 . 1 . 1631 . 1 1 101 VAL CG1 C -35.385 7.957 21.603 . . . 1.0 . . . . . . . . . . . . F . 101 VAL CG1 . . . . . . . . . rr_1aot 1 . 1 . 1632 . 1 1 101 VAL CG2 C -36.585 8.406 23.749 . . . 1.0 . . . . . . . . . . . . F . 101 VAL CG2 . . . . . . . . . rr_1aot 1 . 1 . 1633 . 1 1 101 VAL H H -38.515 8.217 22.481 . . . 1.0 . . . . . . . . . . . . F . 101 VAL H . . . . . . . . . rr_1aot 1 . 1 . 1634 . 1 1 101 VAL HA H -37.095 6.211 21.258 . . . 1.0 . . . . . . . . . . . . F . 101 VAL HA . . . . . . . . . rr_1aot 1 . 1 . 1635 . 1 1 101 VAL HB H -35.398 6.676 23.320 . . . 1.0 . . . . . . . . . . . . F . 101 VAL HB . . . . . . . . . rr_1aot 1 . 1 . 1636 . 1 1 101 VAL HG11 H -35.296 7.234 20.805 . . . 1.0 . . . . . . . . . . . . F . 101 VAL HG11 . . . . . . . . . rr_1aot 1 . 1 . 1637 . 1 1 101 VAL HG12 H -35.960 8.804 21.259 . . . 1.0 . . . . . . . . . . . . F . 101 VAL HG12 . . . . . . . . . rr_1aot 1 . 1 . 1638 . 1 1 101 VAL HG13 H -34.401 8.287 21.901 . . . 1.0 . . . . . . . . . . . . F . 101 VAL HG13 . . . . . . . . . rr_1aot 1 . 1 . 1639 . 1 1 101 VAL HG21 H -37.557 8.138 24.134 . . . 1.0 . . . . . . . . . . . . F . 101 VAL HG21 . . . . . . . . . rr_1aot 1 . 1 . 1640 . 1 1 101 VAL HG22 H -35.890 8.509 24.569 . . . 1.0 . . . . . . . . . . . . F . 101 VAL HG22 . . . . . . . . . rr_1aot 1 . 1 . 1641 . 1 1 101 VAL HG23 H -36.653 9.342 23.216 . . . 1.0 . . . . . . . . . . . . F . 101 VAL HG23 . . . . . . . . . rr_1aot 1 . 1 . 1642 . 1 1 101 VAL N N -38.542 7.241 22.399 . . . 1.0 . . . . . . . . . . . . F . 101 VAL N . . . . . . . . . rr_1aot 1 . 1 . 1643 . 1 1 101 VAL O O -37.683 5.203 24.286 . . . 1.0 . . . . . . . . . . . . F . 101 VAL O . . . . . . . . . rr_1aot 1 . 1 . 1644 . 1 1 102 VAL C C -35.856 2.545 24.038 . . . 1.0 . . . . . . . . . . . . F . 102 VAL C . . . . . . . . . rr_1aot 1 . 1 . 1645 . 1 1 102 VAL CA C -37.154 2.771 23.239 . . . 1.0 . . . . . . . . . . . . F . 102 VAL CA . . . . . . . . . rr_1aot 1 . 1 . 1646 . 1 1 102 VAL CB C -37.398 1.631 22.233 . . . 1.0 . . . . . . . . . . . . F . 102 VAL CB . . . . . . . . . rr_1aot 1 . 1 . 1647 . 1 1 102 VAL CG1 C -36.822 0.312 22.762 . . . 1.0 . . . . . . . . . . . . F . 102 VAL CG1 . . . . . . . . . rr_1aot 1 . 1 . 1648 . 1 1 102 VAL CG2 C -38.902 1.470 22.014 . . . 1.0 . . . . . . . . . . . . F . 102 VAL CG2 . . . . . . . . . rr_1aot 1 . 1 . 1649 . 1 1 102 VAL H H -36.826 4.073 21.557 . . . 1.0 . . . . . . . . . . . . F . 102 VAL H . . . . . . . . . rr_1aot 1 . 1 . 1650 . 1 1 102 VAL HA H -37.985 2.813 23.930 . . . 1.0 . . . . . . . . . . . . F . 102 VAL HA . . . . . . . . . rr_1aot 1 . 1 . 1651 . 1 1 102 VAL HB H -36.935 1.876 21.292 . . . 1.0 . . . . . . . . . . . . F . 102 VAL HB . . . . . . . . . rr_1aot 1 . 1 . 1652 . 1 1 102 VAL HG11 H -36.857 0.311 23.841 . . . 1.0 . . . . . . . . . . . . F . 102 VAL HG11 . . . . . . . . . rr_1aot 1 . 1 . 1653 . 1 1 102 VAL HG12 H -37.405 -0.513 22.382 . . . 1.0 . . . . . . . . . . . . F . 102 VAL HG12 . . . . . . . . . rr_1aot 1 . 1 . 1654 . 1 1 102 VAL HG13 H -35.798 0.210 22.435 . . . 1.0 . . . . . . . . . . . . F . 102 VAL HG13 . . . . . . . . . rr_1aot 1 . 1 . 1655 . 1 1 102 VAL HG21 H -39.438 1.986 22.797 . . . 1.0 . . . . . . . . . . . . F . 102 VAL HG21 . . . . . . . . . rr_1aot 1 . 1 . 1656 . 1 1 102 VAL HG22 H -39.171 1.890 21.055 . . . 1.0 . . . . . . . . . . . . F . 102 VAL HG22 . . . . . . . . . rr_1aot 1 . 1 . 1657 . 1 1 102 VAL HG23 H -39.158 0.421 22.032 . . . 1.0 . . . . . . . . . . . . F . 102 VAL HG23 . . . . . . . . . rr_1aot 1 . 1 . 1658 . 1 1 102 VAL N N -37.079 4.063 22.504 . . . 1.0 . . . . . . . . . . . . F . 102 VAL N . . . . . . . . . rr_1aot 1 . 1 . 1659 . 1 1 102 VAL O O -35.907 2.353 25.236 . . . 1.0 . . . . . . . . . . . . F . 102 VAL O . . . . . . . . . rr_1aot 1 . 1 . 1660 . 1 1 103 PRO C C -32.983 3.652 24.730 . . . 1.0 . . . . . . . . . . . . F . 103 PRO C . . . . . . . . . rr_1aot 1 . 1 . 1661 . 1 1 103 PRO CA C -33.421 2.376 24.006 . . . 1.0 . . . . . . . . . . . . F . 103 PRO CA . . . . . . . . . rr_1aot 1 . 1 . 1662 . 1 1 103 PRO CB C -32.484 2.075 22.836 . . . 1.0 . . . . . . . . . . . . F . 103 PRO CB . . . . . . . . . rr_1aot 1 . 1 . 1663 . 1 1 103 PRO CD C -34.655 2.808 21.903 . . . 1.0 . . . . . . . . . . . . F . 103 PRO CD . . . . . . . . . rr_1aot 1 . 1 . 1664 . 1 1 103 PRO CG C -33.156 2.674 21.578 . . . 1.0 . . . . . . . . . . . . F . 103 PRO CG . . . . . . . . . rr_1aot 1 . 1 . 1665 . 1 1 103 PRO HA H -33.450 1.539 24.683 . . . 1.0 . . . . . . . . . . . . F . 103 PRO HA . . . . . . . . . rr_1aot 1 . 1 . 1666 . 1 1 103 PRO HB2 H -31.523 2.540 23.000 . . . 1.0 . . . . . . . . . . . . F . 103 PRO HB2 . . . . . . . . . rr_1aot 1 . 1 . 1667 . 1 1 103 PRO HB3 H -32.365 1.007 22.721 . . . 1.0 . . . . . . . . . . . . F . 103 PRO HB3 . . . . . . . . . rr_1aot 1 . 1 . 1668 . 1 1 103 PRO HD2 H -35.008 3.797 21.656 . . . 1.0 . . . . . . . . . . . . F . 103 PRO HD2 . . . . . . . . . rr_1aot 1 . 1 . 1669 . 1 1 103 PRO HD3 H -35.215 2.059 21.370 . . . 1.0 . . . . . . . . . . . . F . 103 PRO HD3 . . . . . . . . . rr_1aot 1 . 1 . 1670 . 1 1 103 PRO HG2 H -32.736 3.645 21.361 . . . 1.0 . . . . . . . . . . . . F . 103 PRO HG2 . . . . . . . . . rr_1aot 1 . 1 . 1671 . 1 1 103 PRO HG3 H -33.018 2.013 20.735 . . . 1.0 . . . . . . . . . . . . F . 103 PRO HG3 . . . . . . . . . rr_1aot 1 . 1 . 1672 . 1 1 103 PRO N N -34.732 2.576 23.361 . . . 1.0 . . . . . . . . . . . . F . 103 PRO N . . . . . . . . . rr_1aot 1 . 1 . 1673 . 1 1 103 PRO O O -33.784 4.511 25.037 . . . 1.0 . . . . . . . . . . . . F . 103 PRO O . . . . . . . . . rr_1aot 1 . 1 . 1674 . 1 1 104 SER C C -30.103 5.639 24.864 . . . 1.0 . . . . . . . . . . . . F . 104 SER C . . . . . . . . . rr_1aot 1 . 1 . 1675 . 1 1 104 SER CA C -31.217 5.001 25.696 . . . 1.0 . . . . . . . . . . . . F . 104 SER CA . . . . . . . . . rr_1aot 1 . 1 . 1676 . 1 1 104 SER CB C -30.671 4.617 27.073 . . . 1.0 . . . . . . . . . . . . F . 104 SER CB . . . . . . . . . rr_1aot 1 . 1 . 1677 . 1 1 104 SER H H -31.083 3.078 24.739 . . . 1.0 . . . . . . . . . . . . F . 104 SER H . . . . . . . . . rr_1aot 1 . 1 . 1678 . 1 1 104 SER HA H -32.028 5.705 25.813 . . . 1.0 . . . . . . . . . . . . F . 104 SER HA . . . . . . . . . rr_1aot 1 . 1 . 1679 . 1 1 104 SER HB2 H -29.889 3.881 26.958 . . . 1.0 . . . . . . . . . . . . F . 104 SER HB2 . . . . . . . . . rr_1aot 1 . 1 . 1680 . 1 1 104 SER HB3 H -30.270 5.495 27.559 . . . 1.0 . . . . . . . . . . . . F . 104 SER HB3 . . . . . . . . . rr_1aot 1 . 1 . 1681 . 1 1 104 SER HG H -31.342 3.403 28.435 . . . 1.0 . . . . . . . . . . . . F . 104 SER HG . . . . . . . . . rr_1aot 1 . 1 . 1682 . 1 1 104 SER N N -31.712 3.782 24.999 . . . 1.0 . . . . . . . . . . . . F . 104 SER N . . . . . . . . . rr_1aot 1 . 1 . 1683 . 1 1 104 SER O O -29.074 5.038 24.624 . . . 1.0 . . . . . . . . . . . . F . 104 SER O . . . . . . . . . rr_1aot 1 . 1 . 1684 . 1 1 104 SER OG O -31.718 4.076 27.864 . . . 1.0 . . . . . . . . . . . . F . 104 SER OG . . . . . . . . . rr_1aot 1 . 1 . 1685 . 1 1 105 HIS C C -27.876 7.270 24.215 . . . 1.0 . . . . . . . . . . . . F . 105 HIS C . . . . . . . . . rr_1aot 1 . 1 . 1686 . 1 1 105 HIS CA C -29.254 7.526 23.600 . . . 1.0 . . . . . . . . . . . . F . 105 HIS CA . . . . . . . . . rr_1aot 1 . 1 . 1687 . 1 1 105 HIS CB C -29.525 9.031 23.567 . . . 1.0 . . . . . . . . . . . . F . 105 HIS CB . . . . . . . . . rr_1aot 1 . 1 . 1688 . 1 1 105 HIS CD2 C -29.755 9.354 26.164 . . . 1.0 . . . . . . . . . . . . F . 105 HIS CD2 . . . . . . . . . rr_1aot 1 . 1 . 1689 . 1 1 105 HIS CE1 C -28.289 10.929 26.417 . . . 1.0 . . . . . . . . . . . . F . 105 HIS CE1 . . . . . . . . . rr_1aot 1 . 1 . 1690 . 1 1 105 HIS CG C -29.240 9.621 24.920 . . . 1.0 . . . . . . . . . . . . F . 105 HIS CG . . . . . . . . . rr_1aot 1 . 1 . 1691 . 1 1 105 HIS H H -31.138 7.316 24.623 . . . 1.0 . . . . . . . . . . . . F . 105 HIS H . . . . . . . . . rr_1aot 1 . 1 . 1692 . 1 1 105 HIS HA H -29.277 7.134 22.594 . . . 1.0 . . . . . . . . . . . . F . 105 HIS HA . . . . . . . . . rr_1aot 1 . 1 . 1693 . 1 1 105 HIS HB2 H -28.886 9.495 22.830 . . . 1.0 . . . . . . . . . . . . F . 105 HIS HB2 . . . . . . . . . rr_1aot 1 . 1 . 1694 . 1 1 105 HIS HB3 H -30.558 9.205 23.308 . . . 1.0 . . . . . . . . . . . . F . 105 HIS HB3 . . . . . . . . . rr_1aot 1 . 1 . 1695 . 1 1 105 HIS HD1 H -27.760 11.047 24.408 . . . 1.0 . . . . . . . . . . . . F . 105 HIS HD1 . . . . . . . . . rr_1aot 1 . 1 . 1696 . 1 1 105 HIS HD2 H -30.513 8.614 26.378 . . . 1.0 . . . . . . . . . . . . F . 105 HIS HD2 . . . . . . . . . rr_1aot 1 . 1 . 1697 . 1 1 105 HIS HE1 H -27.653 11.683 26.858 . . . 1.0 . . . . . . . . . . . . F . 105 HIS HE1 . . . . . . . . . rr_1aot 1 . 1 . 1698 . 1 1 105 HIS N N -30.300 6.851 24.420 . . . 1.0 . . . . . . . . . . . . F . 105 HIS N . . . . . . . . . rr_1aot 1 . 1 . 1699 . 1 1 105 HIS ND1 N -28.307 10.629 25.106 . . . 1.0 . . . . . . . . . . . . F . 105 HIS ND1 . . . . . . . . . rr_1aot 1 . 1 . 1700 . 1 1 105 HIS NE2 N -29.154 10.181 27.108 . . . 1.0 . . . . . . . . . . . . F . 105 HIS NE2 . . . . . . . . . rr_1aot 1 . 1 . 1701 . 1 1 105 HIS O O -26.874 7.248 23.529 . . . 1.0 . . . . . . . . . . . . F . 105 HIS O . . . . . . . . . rr_1aot 1 . 1 . 1702 . 1 1 106 LYS C C -25.690 5.846 25.328 . . . 1.0 . . . . . . . . . . . . F . 106 LYS C . . . . . . . . . rr_1aot 1 . 1 . 1703 . 1 1 106 LYS CA C -26.515 6.825 26.168 . . . 1.0 . . . . . . . . . . . . F . 106 LYS CA . . . . . . . . . rr_1aot 1 . 1 . 1704 . 1 1 106 LYS CB C -26.768 6.231 27.554 . . . 1.0 . . . . . . . . . . . . F . 106 LYS CB . . . . . . . . . rr_1aot 1 . 1 . 1705 . 1 1 106 LYS CD C -27.417 4.168 28.805 . . . 1.0 . . . . . . . . . . . . F . 106 LYS CD . . . . . . . . . rr_1aot 1 . 1 . 1706 . 1 1 106 LYS CE C -26.070 4.122 29.528 . . . 1.0 . . . . . . . . . . . . F . 106 LYS CE . . . . . . . . . rr_1aot 1 . 1 . 1707 . 1 1 106 LYS CG C -27.228 4.778 27.414 . . . 1.0 . . . . . . . . . . . . F . 106 LYS CG . . . . . . . . . rr_1aot 1 . 1 . 1708 . 1 1 106 LYS H H -28.637 7.101 26.041 . . . 1.0 . . . . . . . . . . . . F . 106 LYS H . . . . . . . . . rr_1aot 1 . 1 . 1709 . 1 1 106 LYS HA H -25.980 7.756 26.268 . . . 1.0 . . . . . . . . . . . . F . 106 LYS HA . . . . . . . . . rr_1aot 1 . 1 . 1710 . 1 1 106 LYS HB2 H -25.859 6.267 28.129 . . . 1.0 . . . . . . . . . . . . F . 106 LYS HB2 . . . . . . . . . rr_1aot 1 . 1 . 1711 . 1 1 106 LYS HB3 H -27.533 6.804 28.056 . . . 1.0 . . . . . . . . . . . . F . 106 LYS HB3 . . . . . . . . . rr_1aot 1 . 1 . 1712 . 1 1 106 LYS HD2 H -28.110 4.773 29.372 . . . 1.0 . . . . . . . . . . . . F . 106 LYS HD2 . . . . . . . . . rr_1aot 1 . 1 . 1713 . 1 1 106 LYS HD3 H -27.809 3.167 28.708 . . . 1.0 . . . . . . . . . . . . F . 106 LYS HD3 . . . . . . . . . rr_1aot 1 . 1 . 1714 . 1 1 106 LYS HE2 H -25.699 5.127 29.665 . . . 1.0 . . . . . . . . . . . . F . 106 LYS HE2 . . . . . . . . . rr_1aot 1 . 1 . 1715 . 1 1 106 LYS HE3 H -26.195 3.650 30.492 . . . 1.0 . . . . . . . . . . . . F . 106 LYS HE3 . . . . . . . . . rr_1aot 1 . 1 . 1716 . 1 1 106 LYS HG2 H -28.164 4.747 26.877 . . . 1.0 . . . . . . . . . . . . F . 106 LYS HG2 . . . . . . . . . rr_1aot 1 . 1 . 1717 . 1 1 106 LYS HG3 H -26.482 4.214 26.873 . . . 1.0 . . . . . . . . . . . . F . 106 LYS HG3 . . . . . . . . . rr_1aot 1 . 1 . 1718 . 1 1 106 LYS HZ1 H -25.584 2.923 27.897 . . . 1.0 . . . . . . . . . . . . F . 106 LYS HZ1 . . . . . . . . . rr_1aot 1 . 1 . 1719 . 1 1 106 LYS HZ2 H -24.339 3.968 28.382 . . . 1.0 . . . . . . . . . . . . F . 106 LYS HZ2 . . . . . . . . . rr_1aot 1 . 1 . 1720 . 1 1 106 LYS HZ3 H -24.688 2.581 29.300 . . . 1.0 . . . . . . . . . . . . F . 106 LYS HZ3 . . . . . . . . . rr_1aot 1 . 1 . 1721 . 1 1 106 LYS N N -27.820 7.078 25.505 . . . 1.0 . . . . . . . . . . . . F . 106 LYS N . . . . . . . . . rr_1aot 1 . 1 . 1722 . 1 1 106 LYS NZ N -25.097 3.339 28.715 . . . 1.0 . . . . . . . . . . . . F . 106 LYS NZ . . . . . . . . . rr_1aot 1 . 1 . 1723 . 1 1 106 LYS O O -26.263 4.886 24.841 . . . 1.0 . . . . . . . . . . . . F . 106 LYS O . . . . . . . . . rr_1aot 1 . 1 . 1724 . 1 1 106 LYS OXT O -24.500 6.075 25.187 . . . 1.0 . . . . . . . . . . . . F . 106 LYS OXT . . . . . . . . . rr_1aot 1 . 1 . 1725 . 2 2 1 GLU C C -50.607 14.464 2.328 . . . 1.0 . . . . . . . . . . . . P . 201 GLU C . . . . . . . . . rr_1aot 1 . 1 . 1726 . 2 2 1 GLU CA C -50.567 14.318 0.804 . . . 1.0 . . . . . . . . . . . . P . 201 GLU CA . . . . . . . . . rr_1aot 1 . 1 . 1727 . 2 2 1 GLU CB C -50.159 15.652 0.174 . . . 1.0 . . . . . . . . . . . . P . 201 GLU CB . . . . . . . . . rr_1aot 1 . 1 . 1728 . 2 2 1 GLU CD C -51.002 17.848 -0.668 . . . 1.0 . . . . . . . . . . . . P . 201 GLU CD . . . . . . . . . rr_1aot 1 . 1 . 1729 . 2 2 1 GLU CG C -51.387 16.558 0.058 . . . 1.0 . . . . . . . . . . . . P . 201 GLU CG . . . . . . . . . rr_1aot 1 . 1 . 1730 . 2 2 1 GLU H1 H -52.629 14.581 0.688 . . . 1.0 . . . . . . . . . . . . P . 201 GLU H1 . . . . . . . . . rr_1aot 1 . 1 . 1731 . 2 2 1 GLU H2 H -51.928 13.964 -0.732 . . . 1.0 . . . . . . . . . . . . P . 201 GLU H2 . . . . . . . . . rr_1aot 1 . 1 . 1732 . 2 2 1 GLU H3 H -52.132 12.958 0.618 . . . 1.0 . . . . . . . . . . . . P . 201 GLU H3 . . . . . . . . . rr_1aot 1 . 1 . 1733 . 2 2 1 GLU HA H -49.848 13.558 0.533 . . . 1.0 . . . . . . . . . . . . P . 201 GLU HA . . . . . . . . . rr_1aot 1 . 1 . 1734 . 2 2 1 GLU HB2 H -49.415 16.130 0.795 . . . 1.0 . . . . . . . . . . . . P . 201 GLU HB2 . . . . . . . . . rr_1aot 1 . 1 . 1735 . 2 2 1 GLU HB3 H -49.749 15.476 -0.809 . . . 1.0 . . . . . . . . . . . . P . 201 GLU HB3 . . . . . . . . . rr_1aot 1 . 1 . 1736 . 2 2 1 GLU HG2 H -52.159 16.046 -0.499 . . . 1.0 . . . . . . . . . . . . P . 201 GLU HG2 . . . . . . . . . rr_1aot 1 . 1 . 1737 . 2 2 1 GLU HG3 H -51.753 16.797 1.045 . . . 1.0 . . . . . . . . . . . . P . 201 GLU HG3 . . . . . . . . . rr_1aot 1 . 1 . 1738 . 2 2 1 GLU N N -51.916 13.926 0.307 . . . 1.0 . . . . . . . . . . . . P . 201 GLU N . . . . . . . . . rr_1aot 1 . 1 . 1739 . 2 2 1 GLU O O -50.876 15.532 2.840 . . . 1.0 . . . . . . . . . . . . P . 201 GLU O . . . . . . . . . rr_1aot 1 . 1 . 1740 . 2 2 1 GLU OE1 O -50.750 17.781 -1.860 . . . 1.0 . . . . . . . . . . . . P . 201 GLU OE1 . . . . . . . . . rr_1aot 1 . 1 . 1741 . 2 2 1 GLU OE2 O -50.966 18.881 -0.020 . . . 1.0 . . . . . . . . . . . . P . 201 GLU OE2 . . . . . . . . . rr_1aot 1 . 1 . 1742 . 2 2 2 PRO C C -49.038 13.960 5.024 . . . 1.0 . . . . . . . . . . . . P . 202 PRO C . . . . . . . . . rr_1aot 1 . 1 . 1743 . 2 2 2 PRO CA C -50.330 13.343 4.480 . . . 1.0 . . . . . . . . . . . . P . 202 PRO CA . . . . . . . . . rr_1aot 1 . 1 . 1744 . 2 2 2 PRO CB C -50.400 11.848 4.803 . . . 1.0 . . . . . . . . . . . . P . 202 PRO CB . . . . . . . . . rr_1aot 1 . 1 . 1745 . 2 2 2 PRO CD C -50.010 12.086 2.369 . . . 1.0 . . . . . . . . . . . . P . 202 PRO CD . . . . . . . . . rr_1aot 1 . 1 . 1746 . 2 2 2 PRO CG C -49.875 11.106 3.550 . . . 1.0 . . . . . . . . . . . . P . 202 PRO CG . . . . . . . . . rr_1aot 1 . 1 . 1747 . 2 2 2 PRO HA H -51.195 13.848 4.878 . . . 1.0 . . . . . . . . . . . . P . 202 PRO HA . . . . . . . . . rr_1aot 1 . 1 . 1748 . 2 2 2 PRO HB2 H -49.777 11.625 5.659 . . . 1.0 . . . . . . . . . . . . P . 202 PRO HB2 . . . . . . . . . rr_1aot 1 . 1 . 1749 . 2 2 2 PRO HB3 H -51.420 11.557 4.997 . . . 1.0 . . . . . . . . . . . . P . 202 PRO HB3 . . . . . . . . . rr_1aot 1 . 1 . 1750 . 2 2 2 PRO HD2 H -49.077 12.153 1.826 . . . 1.0 . . . . . . . . . . . . P . 202 PRO HD2 . . . . . . . . . rr_1aot 1 . 1 . 1751 . 2 2 2 PRO HD3 H -50.811 11.782 1.714 . . . 1.0 . . . . . . . . . . . . P . 202 PRO HD3 . . . . . . . . . rr_1aot 1 . 1 . 1752 . 2 2 2 PRO HG2 H -48.839 10.831 3.691 . . . 1.0 . . . . . . . . . . . . P . 202 PRO HG2 . . . . . . . . . rr_1aot 1 . 1 . 1753 . 2 2 2 PRO HG3 H -50.471 10.226 3.363 . . . 1.0 . . . . . . . . . . . . P . 202 PRO HG3 . . . . . . . . . rr_1aot 1 . 1 . 1754 . 2 2 2 PRO N N -50.336 13.378 3.007 . . . 1.0 . . . . . . . . . . . . P . 202 PRO N . . . . . . . . . rr_1aot 1 . 1 . 1755 . 2 2 2 PRO O O -47.970 13.767 4.479 . . . 1.0 . . . . . . . . . . . . P . 202 PRO O . . . . . . . . . rr_1aot 1 . 1 . 1756 . 2 2 3 GLN C C -47.547 14.627 7.986 . . . 1.0 . . . . . . . . . . . . P . 203 GLN C . . . . . . . . . rr_1aot 1 . 1 . 1757 . 2 2 3 GLN CA C -47.906 15.325 6.673 . . . 1.0 . . . . . . . . . . . . P . 203 GLN CA . . . . . . . . . rr_1aot 1 . 1 . 1758 . 2 2 3 GLN CB C -48.170 16.808 6.941 . . . 1.0 . . . . . . . . . . . . P . 203 GLN CB . . . . . . . . . rr_1aot 1 . 1 . 1759 . 2 2 3 GLN CD C -49.949 18.018 5.670 . . . 1.0 . . . . . . . . . . . . P . 203 GLN CD . . . . . . . . . rr_1aot 1 . 1 . 1760 . 2 2 3 GLN CG C -48.505 17.513 5.625 . . . 1.0 . . . . . . . . . . . . P . 203 GLN CG . . . . . . . . . rr_1aot 1 . 1 . 1761 . 2 2 3 GLN H H -50.000 14.841 6.521 . . . 1.0 . . . . . . . . . . . . P . 203 GLN H . . . . . . . . . rr_1aot 1 . 1 . 1762 . 2 2 3 GLN HA H -47.087 15.225 5.976 . . . 1.0 . . . . . . . . . . . . P . 203 GLN HA . . . . . . . . . rr_1aot 1 . 1 . 1763 . 2 2 3 GLN HB2 H -48.999 16.908 7.626 . . . 1.0 . . . . . . . . . . . . P . 203 GLN HB2 . . . . . . . . . rr_1aot 1 . 1 . 1764 . 2 2 3 GLN HB3 H -47.289 17.259 7.373 . . . 1.0 . . . . . . . . . . . . P . 203 GLN HB3 . . . . . . . . . rr_1aot 1 . 1 . 1765 . 2 2 3 GLN HE21 H -50.305 17.596 3.763 . . . 1.0 . . . . . . . . . . . . P . 203 GLN HE21 . . . . . . . . . rr_1aot 1 . 1 . 1766 . 2 2 3 GLN HE22 H -51.607 18.281 4.610 . . . 1.0 . . . . . . . . . . . . P . 203 GLN HE22 . . . . . . . . . rr_1aot 1 . 1 . 1767 . 2 2 3 GLN HG2 H -47.835 18.349 5.483 . . . 1.0 . . . . . . . . . . . . P . 203 GLN HG2 . . . . . . . . . rr_1aot 1 . 1 . 1768 . 2 2 3 GLN HG3 H -48.394 16.819 4.806 . . . 1.0 . . . . . . . . . . . . P . 203 GLN HG3 . . . . . . . . . rr_1aot 1 . 1 . 1769 . 2 2 3 GLN N N -49.128 14.699 6.096 . . . 1.0 . . . . . . . . . . . . P . 203 GLN N . . . . . . . . . rr_1aot 1 . 1 . 1770 . 2 2 3 GLN NE2 N -50.681 17.961 4.591 . . . 1.0 . . . . . . . . . . . . P . 203 GLN NE2 . . . . . . . . . rr_1aot 1 . 1 . 1771 . 2 2 3 GLN O O -46.447 14.751 8.486 . . . 1.0 . . . . . . . . . . . . P . 203 GLN O . . . . . . . . . rr_1aot 1 . 1 . 1772 . 2 2 3 GLN OE1 O -50.415 18.470 6.697 . . . 1.0 . . . . . . . . . . . . P . 203 GLN OE1 . . . . . . . . . rr_1aot 1 . 1 . 1773 . 2 2 4 PTR C C -49.211 12.081 10.050 . . . 1.0 . . . . . . . . . . . . P . 204 PTR C . . . . . . . . . rr_1aot 1 . 1 . 1774 . 2 2 4 PTR CA C -48.178 13.188 9.830 . . . 1.0 . . . . . . . . . . . . P . 204 PTR CA . . . . . . . . . rr_1aot 1 . 1 . 1775 . 2 2 4 PTR CB C -48.246 14.187 10.987 . . . 1.0 . . . . . . . . . . . . P . 204 PTR CB . . . . . . . . . rr_1aot 1 . 1 . 1776 . 2 2 4 PTR CD1 C -45.807 14.553 11.507 . . . 1.0 . . . . . . . . . . . . P . 204 PTR CD1 . . . . . . . . . rr_1aot 1 . 1 . 1777 . 2 2 4 PTR CD2 C -47.057 16.345 10.455 . . . 1.0 . . . . . . . . . . . . P . 204 PTR CD2 . . . . . . . . . rr_1aot 1 . 1 . 1778 . 2 2 4 PTR CE1 C -44.658 15.353 11.504 . . . 1.0 . . . . . . . . . . . . P . 204 PTR CE1 . . . . . . . . . rr_1aot 1 . 1 . 1779 . 2 2 4 PTR CE2 C -45.909 17.145 10.452 . . . 1.0 . . . . . . . . . . . . P . 204 PTR CE2 . . . . . . . . . rr_1aot 1 . 1 . 1780 . 2 2 4 PTR CG C -47.007 15.049 10.982 . . . 1.0 . . . . . . . . . . . . P . 204 PTR CG . . . . . . . . . rr_1aot 1 . 1 . 1781 . 2 2 4 PTR CZ C -44.709 16.649 10.976 . . . 1.0 . . . . . . . . . . . . P . 204 PTR CZ . . . . . . . . . rr_1aot 1 . 1 . 1782 . 2 2 4 PTR H H -49.349 13.805 8.130 . . . 1.0 . . . . . . . . . . . . P . 204 PTR H . . . . . . . . . rr_1aot 1 . 1 . 1783 . 2 2 4 PTR HA H -47.189 12.755 9.786 . . . 1.0 . . . . . . . . . . . . P . 204 PTR HA . . . . . . . . . rr_1aot 1 . 1 . 1784 . 2 2 4 PTR HB2 H -48.307 13.650 11.922 . . . 1.0 . . . . . . . . . . . . P . 204 PTR HB2 . . . . . . . . . rr_1aot 1 . 1 . 1785 . 2 2 4 PTR HB3 H -49.120 14.811 10.872 . . . 1.0 . . . . . . . . . . . . P . 204 PTR HB3 . . . . . . . . . rr_1aot 1 . 1 . 1786 . 2 2 4 PTR HD1 H -45.769 13.553 11.916 . . . 1.0 . . . . . . . . . . . . P . 204 PTR HD1 . . . . . . . . . rr_1aot 1 . 1 . 1787 . 2 2 4 PTR HD2 H -47.983 16.730 10.055 . . . 1.0 . . . . . . . . . . . . P . 204 PTR HD2 . . . . . . . . . rr_1aot 1 . 1 . 1788 . 2 2 4 PTR HE1 H -43.732 14.971 11.910 . . . 1.0 . . . . . . . . . . . . P . 204 PTR HE1 . . . . . . . . . rr_1aot 1 . 1 . 1789 . 2 2 4 PTR HE2 H -45.948 18.145 10.045 . . . 1.0 . . . . . . . . . . . . P . 204 PTR HE2 . . . . . . . . . rr_1aot 1 . 1 . 1790 . 2 2 4 PTR N N -48.467 13.892 8.549 . . . 1.0 . . . . . . . . . . . . P . 204 PTR N . . . . . . . . . rr_1aot 1 . 1 . 1791 . 2 2 4 PTR O O -50.340 12.176 9.609 . . . 1.0 . . . . . . . . . . . . P . 204 PTR O . . . . . . . . . rr_1aot 1 . 1 . 1792 . 2 2 4 PTR O1P O -44.258 19.685 10.030 . . . 1.0 . . . . . . . . . . . . P . 204 PTR O1P . . . . . . . . . rr_1aot 1 . 1 . 1793 . 2 2 4 PTR O2P O -43.574 17.941 8.503 . . . 1.0 . . . . . . . . . . . . P . 204 PTR O2P . . . . . . . . . rr_1aot 1 . 1 . 1794 . 2 2 4 PTR O3P O -41.928 19.061 9.874 . . . 1.0 . . . . . . . . . . . . P . 204 PTR O3P . . . . . . . . . rr_1aot 1 . 1 . 1795 . 2 2 4 PTR OH O -43.535 17.467 10.973 . . . 1.0 . . . . . . . . . . . . P . 204 PTR OH . . . . . . . . . rr_1aot 1 . 1 . 1796 . 2 2 4 PTR P P -43.320 18.559 9.823 . . . 1.0 . . . . . . . . . . . . P . 204 PTR P . . . . . . . . . rr_1aot 1 . 1 . 1797 . 2 2 5 GLU C C -50.654 10.253 12.200 . . . 1.0 . . . . . . . . . . . . P . 205 GLU C . . . . . . . . . rr_1aot 1 . 1 . 1798 . 2 2 5 GLU CA C -49.797 9.921 10.977 . . . 1.0 . . . . . . . . . . . . P . 205 GLU CA . . . . . . . . . rr_1aot 1 . 1 . 1799 . 2 2 5 GLU CB C -49.024 8.625 11.232 . . . 1.0 . . . . . . . . . . . . P . 205 GLU CB . . . . . . . . . rr_1aot 1 . 1 . 1800 . 2 2 5 GLU CD C -48.460 6.799 9.622 . . . 1.0 . . . . . . . . . . . . P . 205 GLU CD . . . . . . . . . rr_1aot 1 . 1 . 1801 . 2 2 5 GLU CG C -48.209 8.263 9.989 . . . 1.0 . . . . . . . . . . . . P . 205 GLU CG . . . . . . . . . rr_1aot 1 . 1 . 1802 . 2 2 5 GLU H H -47.921 10.975 11.076 . . . 1.0 . . . . . . . . . . . . P . 205 GLU H . . . . . . . . . rr_1aot 1 . 1 . 1803 . 2 2 5 GLU HA H -50.434 9.797 10.114 . . . 1.0 . . . . . . . . . . . . P . 205 GLU HA . . . . . . . . . rr_1aot 1 . 1 . 1804 . 2 2 5 GLU HB2 H -48.360 8.762 12.073 . . . 1.0 . . . . . . . . . . . . P . 205 GLU HB2 . . . . . . . . . rr_1aot 1 . 1 . 1805 . 2 2 5 GLU HB3 H -49.720 7.828 11.449 . . . 1.0 . . . . . . . . . . . . P . 205 GLU HB3 . . . . . . . . . rr_1aot 1 . 1 . 1806 . 2 2 5 GLU HG2 H -48.507 8.897 9.167 . . . 1.0 . . . . . . . . . . . . P . 205 GLU HG2 . . . . . . . . . rr_1aot 1 . 1 . 1807 . 2 2 5 GLU HG3 H -47.159 8.406 10.193 . . . 1.0 . . . . . . . . . . . . P . 205 GLU HG3 . . . . . . . . . rr_1aot 1 . 1 . 1808 . 2 2 5 GLU N N -48.835 11.032 10.729 . . . 1.0 . . . . . . . . . . . . P . 205 GLU N . . . . . . . . . rr_1aot 1 . 1 . 1809 . 2 2 5 GLU O O -50.159 10.366 13.304 . . . 1.0 . . . . . . . . . . . . P . 205 GLU O . . . . . . . . . rr_1aot 1 . 1 . 1810 . 2 2 5 GLU OE1 O -48.612 5.998 10.530 . . . 1.0 . . . . . . . . . . . . P . 205 GLU OE1 . . . . . . . . . rr_1aot 1 . 1 . 1811 . 2 2 5 GLU OE2 O -48.495 6.503 8.439 . . . 1.0 . . . . . . . . . . . . P . 205 GLU OE2 . . . . . . . . . rr_1aot 1 . 1 . 1812 . 2 2 6 GLU C C -53.563 9.475 13.613 . . . 1.0 . . . . . . . . . . . . P . 206 GLU C . . . . . . . . . rr_1aot 1 . 1 . 1813 . 2 2 6 GLU CA C -52.821 10.736 13.166 . . . 1.0 . . . . . . . . . . . . P . 206 GLU CA . . . . . . . . . rr_1aot 1 . 1 . 1814 . 2 2 6 GLU CB C -53.835 11.802 12.744 . . . 1.0 . . . . . . . . . . . . P . 206 GLU CB . . . . . . . . . rr_1aot 1 . 1 . 1815 . 2 2 6 GLU CD C -54.113 14.034 11.656 . . . 1.0 . . . . . . . . . . . . P . 206 GLU CD . . . . . . . . . rr_1aot 1 . 1 . 1816 . 2 2 6 GLU CG C -53.111 12.936 12.016 . . . 1.0 . . . . . . . . . . . . P . 206 GLU CG . . . . . . . . . rr_1aot 1 . 1 . 1817 . 2 2 6 GLU H H -52.315 10.316 11.115 . . . 1.0 . . . . . . . . . . . . P . 206 GLU H . . . . . . . . . rr_1aot 1 . 1 . 1818 . 2 2 6 GLU HA H -52.224 11.112 13.984 . . . 1.0 . . . . . . . . . . . . P . 206 GLU HA . . . . . . . . . rr_1aot 1 . 1 . 1819 . 2 2 6 GLU HB2 H -54.568 11.360 12.085 . . . 1.0 . . . . . . . . . . . . P . 206 GLU HB2 . . . . . . . . . rr_1aot 1 . 1 . 1820 . 2 2 6 GLU HB3 H -54.329 12.196 13.619 . . . 1.0 . . . . . . . . . . . . P . 206 GLU HB3 . . . . . . . . . rr_1aot 1 . 1 . 1821 . 2 2 6 GLU HG2 H -52.343 13.343 12.658 . . . 1.0 . . . . . . . . . . . . P . 206 GLU HG2 . . . . . . . . . rr_1aot 1 . 1 . 1822 . 2 2 6 GLU HG3 H -52.659 12.553 11.113 . . . 1.0 . . . . . . . . . . . . P . 206 GLU HG3 . . . . . . . . . rr_1aot 1 . 1 . 1823 . 2 2 6 GLU N N -51.935 10.411 12.013 . . . 1.0 . . . . . . . . . . . . P . 206 GLU N . . . . . . . . . rr_1aot 1 . 1 . 1824 . 2 2 6 GLU O O -54.404 8.955 12.907 . . . 1.0 . . . . . . . . . . . . P . 206 GLU O . . . . . . . . . rr_1aot 1 . 1 . 1825 . 2 2 6 GLU OE1 O -55.212 14.002 12.184 . . . 1.0 . . . . . . . . . . . . P . 206 GLU OE1 . . . . . . . . . rr_1aot 1 . 1 . 1826 . 2 2 6 GLU OE2 O -53.763 14.889 10.858 . . . 1.0 . . . . . . . . . . . . P . 206 GLU OE2 . . . . . . . . . rr_1aot 1 . 1 . 1827 . 2 2 7 ILE C C -55.463 7.910 15.086 . . . 1.0 . . . . . . . . . . . . P . 207 ILE C . . . . . . . . . rr_1aot 1 . 1 . 1828 . 2 2 7 ILE CA C -53.947 7.753 15.272 . . . 1.0 . . . . . . . . . . . . P . 207 ILE CA . . . . . . . . . rr_1aot 1 . 1 . 1829 . 2 2 7 ILE CB C -53.635 7.559 16.758 . . . 1.0 . . . . . . . . . . . . P . 207 ILE CB . . . . . . . . . rr_1aot 1 . 1 . 1830 . 2 2 7 ILE CD1 C -51.327 8.239 17.436 . . . 1.0 . . . . . . . . . . . . P . 207 ILE CD1 . . . . . . . . . rr_1aot 1 . 1 . 1831 . 2 2 7 ILE CG1 C -52.188 7.086 16.916 . . . 1.0 . . . . . . . . . . . . P . 207 ILE CG1 . . . . . . . . . rr_1aot 1 . 1 . 1832 . 2 2 7 ILE CG2 C -54.579 6.510 17.350 . . . 1.0 . . . . . . . . . . . . P . 207 ILE CG2 . . . . . . . . . rr_1aot 1 . 1 . 1833 . 2 2 7 ILE H H -52.578 9.415 15.336 . . . 1.0 . . . . . . . . . . . . P . 207 ILE H . . . . . . . . . rr_1aot 1 . 1 . 1834 . 2 2 7 ILE HA H -53.592 6.899 14.718 . . . 1.0 . . . . . . . . . . . . P . 207 ILE HA . . . . . . . . . rr_1aot 1 . 1 . 1835 . 2 2 7 ILE HB H -53.768 8.497 17.279 . . . 1.0 . . . . . . . . . . . . P . 207 ILE HB . . . . . . . . . rr_1aot 1 . 1 . 1836 . 2 2 7 ILE HD11 H -51.955 9.092 17.646 . . . 1.0 . . . . . . . . . . . . P . 207 ILE HD11 . . . . . . . . . rr_1aot 1 . 1 . 1837 . 2 2 7 ILE HD12 H -50.823 7.932 18.341 . . . 1.0 . . . . . . . . . . . . P . 207 ILE HD12 . . . . . . . . . rr_1aot 1 . 1 . 1838 . 2 2 7 ILE HD13 H -50.595 8.506 16.689 . . . 1.0 . . . . . . . . . . . . P . 207 ILE HD13 . . . . . . . . . rr_1aot 1 . 1 . 1839 . 2 2 7 ILE HG12 H -52.153 6.265 17.617 . . . 1.0 . . . . . . . . . . . . P . 207 ILE HG12 . . . . . . . . . rr_1aot 1 . 1 . 1840 . 2 2 7 ILE HG13 H -51.810 6.760 15.959 . . . 1.0 . . . . . . . . . . . . P . 207 ILE HG13 . . . . . . . . . rr_1aot 1 . 1 . 1841 . 2 2 7 ILE HG21 H -54.924 5.853 16.565 . . . 1.0 . . . . . . . . . . . . P . 207 ILE HG21 . . . . . . . . . rr_1aot 1 . 1 . 1842 . 2 2 7 ILE HG22 H -54.054 5.933 18.096 . . . 1.0 . . . . . . . . . . . . P . 207 ILE HG22 . . . . . . . . . rr_1aot 1 . 1 . 1843 . 2 2 7 ILE HG23 H -55.425 7.003 17.805 . . . 1.0 . . . . . . . . . . . . P . 207 ILE HG23 . . . . . . . . . rr_1aot 1 . 1 . 1844 . 2 2 7 ILE N N -53.259 8.979 14.781 . . . 1.0 . . . . . . . . . . . . P . 207 ILE N . . . . . . . . . rr_1aot 1 . 1 . 1845 . 2 2 7 ILE O O -56.056 8.818 15.635 . . . 1.0 . . . . . . . . . . . . P . 207 ILE O . . . . . . . . . rr_1aot 1 . 1 . 1846 . 2 2 8 PRO C C -58.273 6.472 15.238 . . . 1.0 . . . . . . . . . . . . P . 208 PRO C . . . . . . . . . rr_1aot 1 . 1 . 1847 . 2 2 8 PRO CA C -57.498 7.046 14.048 . . . 1.0 . . . . . . . . . . . . P . 208 PRO CA . . . . . . . . . rr_1aot 1 . 1 . 1848 . 2 2 8 PRO CB C -57.648 6.150 12.816 . . . 1.0 . . . . . . . . . . . . P . 208 PRO CB . . . . . . . . . rr_1aot 1 . 1 . 1849 . 2 2 8 PRO CD C -55.329 5.919 13.651 . . . 1.0 . . . . . . . . . . . . P . 208 PRO CD . . . . . . . . . rr_1aot 1 . 1 . 1850 . 2 2 8 PRO CG C -56.406 5.228 12.793 . . . 1.0 . . . . . . . . . . . . P . 208 PRO CG . . . . . . . . . rr_1aot 1 . 1 . 1851 . 2 2 8 PRO HA H -57.830 8.045 13.821 . . . 1.0 . . . . . . . . . . . . P . 208 PRO HA . . . . . . . . . rr_1aot 1 . 1 . 1852 . 2 2 8 PRO HB2 H -58.552 5.561 12.895 . . . 1.0 . . . . . . . . . . . . P . 208 PRO HB2 . . . . . . . . . rr_1aot 1 . 1 . 1853 . 2 2 8 PRO HB3 H -57.672 6.751 11.920 . . . 1.0 . . . . . . . . . . . . P . 208 PRO HB3 . . . . . . . . . rr_1aot 1 . 1 . 1854 . 2 2 8 PRO HD2 H -54.929 5.228 14.380 . . . 1.0 . . . . . . . . . . . . P . 208 PRO HD2 . . . . . . . . . rr_1aot 1 . 1 . 1855 . 2 2 8 PRO HD3 H -54.542 6.311 13.027 . . . 1.0 . . . . . . . . . . . . P . 208 PRO HD3 . . . . . . . . . rr_1aot 1 . 1 . 1856 . 2 2 8 PRO HG2 H -56.655 4.263 13.211 . . . 1.0 . . . . . . . . . . . . P . 208 PRO HG2 . . . . . . . . . rr_1aot 1 . 1 . 1857 . 2 2 8 PRO HG3 H -56.048 5.114 11.782 . . . 1.0 . . . . . . . . . . . . P . 208 PRO HG3 . . . . . . . . . rr_1aot 1 . 1 . 1858 . 2 2 8 PRO N N -56.049 7.023 14.319 . . . 1.0 . . . . . . . . . . . . P . 208 PRO N . . . . . . . . . rr_1aot 1 . 1 . 1859 . 2 2 8 PRO O O -57.722 6.240 16.296 . . . 1.0 . . . . . . . . . . . . P . 208 PRO O . . . . . . . . . rr_1aot 1 . 1 . 1860 . 2 2 9 ILE C C -61.774 5.405 15.695 . . . 1.0 . . . . . . . . . . . . P . 209 ILE C . . . . . . . . . rr_1aot 1 . 1 . 1861 . 2 2 9 ILE CA C -60.355 5.682 16.191 . . . 1.0 . . . . . . . . . . . . P . 209 ILE CA . . . . . . . . . rr_1aot 1 . 1 . 1862 . 2 2 9 ILE CB C -60.403 6.690 17.341 . . . 1.0 . . . . . . . . . . . . P . 209 ILE CB . . . . . . . . . rr_1aot 1 . 1 . 1863 . 2 2 9 ILE CD1 C -59.912 5.653 19.561 . . . 1.0 . . . . . . . . . . . . P . 209 ILE CD1 . . . . . . . . . rr_1aot 1 . 1 . 1864 . 2 2 9 ILE CG1 C -61.020 6.025 18.574 . . . 1.0 . . . . . . . . . . . . P . 209 ILE CG1 . . . . . . . . . rr_1aot 1 . 1 . 1865 . 2 2 9 ILE CG2 C -61.255 7.892 16.932 . . . 1.0 . . . . . . . . . . . . P . 209 ILE CG2 . . . . . . . . . rr_1aot 1 . 1 . 1866 . 2 2 9 ILE H H -59.972 6.434 14.209 . . . 1.0 . . . . . . . . . . . . P . 209 ILE H . . . . . . . . . rr_1aot 1 . 1 . 1867 . 2 2 9 ILE HA H -59.907 4.761 16.536 . . . 1.0 . . . . . . . . . . . . P . 209 ILE HA . . . . . . . . . rr_1aot 1 . 1 . 1868 . 2 2 9 ILE HB H -59.400 7.021 17.571 . . . 1.0 . . . . . . . . . . . . P . 209 ILE HB . . . . . . . . . rr_1aot 1 . 1 . 1869 . 2 2 9 ILE HD11 H -58.992 6.137 19.269 . . . 1.0 . . . . . . . . . . . . P . 209 ILE HD11 . . . . . . . . . rr_1aot 1 . 1 . 1870 . 2 2 9 ILE HD12 H -60.190 5.978 20.553 . . . 1.0 . . . . . . . . . . . . P . 209 ILE HD12 . . . . . . . . . rr_1aot 1 . 1 . 1871 . 2 2 9 ILE HD13 H -59.773 4.582 19.559 . . . 1.0 . . . . . . . . . . . . P . 209 ILE HD13 . . . . . . . . . rr_1aot 1 . 1 . 1872 . 2 2 9 ILE HG12 H -61.708 6.712 19.045 . . . 1.0 . . . . . . . . . . . . P . 209 ILE HG12 . . . . . . . . . rr_1aot 1 . 1 . 1873 . 2 2 9 ILE HG13 H -61.548 5.133 18.276 . . . 1.0 . . . . . . . . . . . . P . 209 ILE HG13 . . . . . . . . . rr_1aot 1 . 1 . 1874 . 2 2 9 ILE HG21 H -61.129 8.080 15.875 . . . 1.0 . . . . . . . . . . . . P . 209 ILE HG21 . . . . . . . . . rr_1aot 1 . 1 . 1875 . 2 2 9 ILE HG22 H -62.294 7.685 17.140 . . . 1.0 . . . . . . . . . . . . P . 209 ILE HG22 . . . . . . . . . rr_1aot 1 . 1 . 1876 . 2 2 9 ILE HG23 H -60.942 8.762 17.491 . . . 1.0 . . . . . . . . . . . . P . 209 ILE HG23 . . . . . . . . . rr_1aot 1 . 1 . 1877 . 2 2 9 ILE N N -59.546 6.240 15.072 . . . 1.0 . . . . . . . . . . . . P . 209 ILE N . . . . . . . . . rr_1aot 1 . 1 . 1878 . 2 2 9 ILE O O -62.732 5.494 16.437 . . . 1.0 . . . . . . . . . . . . P . 209 ILE O . . . . . . . . . rr_1aot 1 . 1 . 1879 . 2 2 10 TYR C C -63.571 3.300 14.020 . . . 1.0 . . . . . . . . . . . . P . 210 TYR C . . . . . . . . . rr_1aot 1 . 1 . 1880 . 2 2 10 TYR CA C -63.264 4.793 13.890 . . . 1.0 . . . . . . . . . . . . P . 210 TYR CA . . . . . . . . . rr_1aot 1 . 1 . 1881 . 2 2 10 TYR CB C -63.295 5.196 12.415 . . . 1.0 . . . . . . . . . . . . P . 210 TYR CB . . . . . . . . . rr_1aot 1 . 1 . 1882 . 2 2 10 TYR CD1 C -61.735 3.370 11.650 . . . 1.0 . . . . . . . . . . . . P . 210 TYR CD1 . . . . . . . . . rr_1aot 1 . 1 . 1883 . 2 2 10 TYR CD2 C -61.144 5.677 11.192 . . . 1.0 . . . . . . . . . . . . P . 210 TYR CD2 . . . . . . . . . rr_1aot 1 . 1 . 1884 . 2 2 10 TYR CE1 C -60.560 2.943 11.020 . . . 1.0 . . . . . . . . . . . . P . 210 TYR CE1 . . . . . . . . . rr_1aot 1 . 1 . 1885 . 2 2 10 TYR CE2 C -59.969 5.250 10.562 . . . 1.0 . . . . . . . . . . . . P . 210 TYR CE2 . . . . . . . . . rr_1aot 1 . 1 . 1886 . 2 2 10 TYR CG C -62.027 4.736 11.736 . . . 1.0 . . . . . . . . . . . . P . 210 TYR CG . . . . . . . . . rr_1aot 1 . 1 . 1887 . 2 2 10 TYR CZ C -59.677 3.884 10.476 . . . 1.0 . . . . . . . . . . . . P . 210 TYR CZ . . . . . . . . . rr_1aot 1 . 1 . 1888 . 2 2 10 TYR H H -61.130 5.010 13.862 . . . 1.0 . . . . . . . . . . . . P . 210 TYR H . . . . . . . . . rr_1aot 1 . 1 . 1889 . 2 2 10 TYR HA H -64.003 5.363 14.434 . . . 1.0 . . . . . . . . . . . . P . 210 TYR HA . . . . . . . . . rr_1aot 1 . 1 . 1890 . 2 2 10 TYR HB2 H -64.141 4.736 11.939 . . . 1.0 . . . . . . . . . . . . P . 210 TYR HB2 . . . . . . . . . rr_1aot 1 . 1 . 1891 . 2 2 10 TYR HB3 H -63.376 6.270 12.336 . . . 1.0 . . . . . . . . . . . . P . 210 TYR HB3 . . . . . . . . . rr_1aot 1 . 1 . 1892 . 2 2 10 TYR HD1 H -62.417 2.645 12.069 . . . 1.0 . . . . . . . . . . . . P . 210 TYR HD1 . . . . . . . . . rr_1aot 1 . 1 . 1893 . 2 2 10 TYR HD2 H -61.369 6.731 11.259 . . . 1.0 . . . . . . . . . . . . P . 210 TYR HD2 . . . . . . . . . rr_1aot 1 . 1 . 1894 . 2 2 10 TYR HE1 H -60.335 1.889 10.953 . . . 1.0 . . . . . . . . . . . . P . 210 TYR HE1 . . . . . . . . . rr_1aot 1 . 1 . 1895 . 2 2 10 TYR HE2 H -59.287 5.975 10.143 . . . 1.0 . . . . . . . . . . . . P . 210 TYR HE2 . . . . . . . . . rr_1aot 1 . 1 . 1896 . 2 2 10 TYR HH H -57.997 2.977 10.498 . . . 1.0 . . . . . . . . . . . . P . 210 TYR HH . . . . . . . . . rr_1aot 1 . 1 . 1897 . 2 2 10 TYR N N -61.914 5.073 14.442 . . . 1.0 . . . . . . . . . . . . P . 210 TYR N . . . . . . . . . rr_1aot 1 . 1 . 1898 . 2 2 10 TYR O O -62.776 2.535 14.529 . . . 1.0 . . . . . . . . . . . . P . 210 TYR O . . . . . . . . . rr_1aot 1 . 1 . 1899 . 2 2 10 TYR OH O -58.518 3.463 9.855 . . . 1.0 . . . . . . . . . . . . P . 210 TYR OH . . . . . . . . . rr_1aot 1 . 1 . 1900 . 2 2 11 LEU C C -64.318 0.648 12.588 . . . 1.0 . . . . . . . . . . . . P . 211 LEU C . . . . . . . . . rr_1aot 1 . 1 . 1901 . 2 2 11 LEU CA C -65.074 1.435 13.660 . . . 1.0 . . . . . . . . . . . . P . 211 LEU CA . . . . . . . . . rr_1aot 1 . 1 . 1902 . 2 2 11 LEU CB C -66.580 1.266 13.449 . . . 1.0 . . . . . . . . . . . . P . 211 LEU CB . . . . . . . . . rr_1aot 1 . 1 . 1903 . 2 2 11 LEU CD1 C -68.725 0.560 14.519 . . . 1.0 . . . . . . . . . . . . P . 211 LEU CD1 . . . . . . . . . rr_1aot 1 . 1 . 1904 . 2 2 11 LEU CD2 C -66.587 -0.575 15.138 . . . 1.0 . . . . . . . . . . . . P . 211 LEU CD2 . . . . . . . . . rr_1aot 1 . 1 . 1905 . 2 2 11 LEU CG C -67.224 0.758 14.740 . . . 1.0 . . . . . . . . . . . . P . 211 LEU CG . . . . . . . . . rr_1aot 1 . 1 . 1906 . 2 2 11 LEU H H -65.346 3.511 13.155 . . . 1.0 . . . . . . . . . . . . P . 211 LEU H . . . . . . . . . rr_1aot 1 . 1 . 1907 . 2 2 11 LEU HA H -64.804 1.062 14.637 . . . 1.0 . . . . . . . . . . . . P . 211 LEU HA . . . . . . . . . rr_1aot 1 . 1 . 1908 . 2 2 11 LEU HB2 H -67.015 2.218 13.179 . . . 1.0 . . . . . . . . . . . . P . 211 LEU HB2 . . . . . . . . . rr_1aot 1 . 1 . 1909 . 2 2 11 LEU HB3 H -66.755 0.552 12.658 . . . 1.0 . . . . . . . . . . . . P . 211 LEU HB3 . . . . . . . . . rr_1aot 1 . 1 . 1910 . 2 2 11 LEU HD11 H -68.948 0.651 13.466 . . . 1.0 . . . . . . . . . . . . P . 211 LEU HD11 . . . . . . . . . rr_1aot 1 . 1 . 1911 . 2 2 11 LEU HD12 H -69.013 -0.421 14.865 . . . 1.0 . . . . . . . . . . . . P . 211 LEU HD12 . . . . . . . . . rr_1aot 1 . 1 . 1912 . 2 2 11 LEU HD13 H -69.272 1.311 15.069 . . . 1.0 . . . . . . . . . . . . P . 211 LEU HD13 . . . . . . . . . rr_1aot 1 . 1 . 1913 . 2 2 11 LEU HD21 H -66.411 -1.168 14.252 . . . 1.0 . . . . . . . . . . . . P . 211 LEU HD21 . . . . . . . . . rr_1aot 1 . 1 . 1914 . 2 2 11 LEU HD22 H -65.649 -0.390 15.640 . . . 1.0 . . . . . . . . . . . . P . 211 LEU HD22 . . . . . . . . . rr_1aot 1 . 1 . 1915 . 2 2 11 LEU HD23 H -67.251 -1.108 15.802 . . . 1.0 . . . . . . . . . . . . P . 211 LEU HD23 . . . . . . . . . rr_1aot 1 . 1 . 1916 . 2 2 11 LEU HG H -67.068 1.480 15.528 . . . 1.0 . . . . . . . . . . . . P . 211 LEU HG . . . . . . . . . rr_1aot 1 . 1 . 1917 . 2 2 11 LEU N N -64.718 2.878 13.562 . . . 1.0 . . . . . . . . . . . . P . 211 LEU N . . . . . . . . . rr_1aot 1 . 1 . 1918 . 2 2 11 LEU O O -64.417 1.018 11.429 . . . 1.0 . . . . . . . . . . . . P . 211 LEU O . . . . . . . . . rr_1aot 1 . 1 . 1919 . 2 2 11 LEU OXT O -63.652 -0.310 12.943 . . . 1.0 . . . . . . . . . . . . P . 211 LEU OXT . . . . . . . . . rr_1aot 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID rr_1aot _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1aot.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1aot 1 1 1aot.mr . . XPLOR/CNS 2 distance NOE simple 1400 rr_1aot 1 1 1aot.mr . . XPLOR/CNS 3 distance NOE ambi 105 rr_1aot 1 1 1aot.mr . . XPLOR/CNS 4 distance 'hydrogen bond' simple 64 rr_1aot 1 1 1aot.mr . . XPLOR/CNS 5 'dihedral angle' 'Not applicable' 'Not applicable' 39 rr_1aot 1 1 1aot.mr . . n/a 6 comment 'Not applicable' 'Not applicable' 0 rr_1aot 1 1 1aot.mr . . 'MR format' 7 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1aot 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1aot _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1aot 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 2 2 2 2 PRO HA H . . . 2 2 3 3 GLN H H . . . . . 0.0 -1.8 2.7 . . . . . P . 202 PRO HA . . P . 203 GLN H . fSH2 . 202 . HA . . . fSH2 . 203 . HN . . rr_1aot 1 2 1 . . 2 2 3 3 GLN H H . . . 2 2 3 3 GLN HA H . . . . . 0.0 -1.8 3.5 . . . . . P . 203 GLN H . . P . 203 GLN HA . fSH2 . 203 . HN . . . fSH2 . 203 . HA . . rr_1aot 1 3 1 OR . 2 2 3 3 GLN H H . . . 2 2 3 3 GLN HB2 H . . . . . 0.0 -1.8 5.0 . . . . . P . 203 GLN H . . P . 203 GLN HB2 . fSH2 . 203 . HN . . . fSH2 . 203 . HB* . . rr_1aot 1 3 2 OR . 2 2 3 3 GLN H H . . . 2 2 3 3 GLN HB3 H . . . . . 0.0 -1.8 5.0 . . . . . P . 203 GLN H . . P . 203 GLN HB3 . fSH2 . 203 . HN . . . fSH2 . 203 . HB* . . rr_1aot 1 4 1 OR . 2 2 3 3 GLN H H . . . 2 2 3 3 GLN HG2 H . . . . . 0.0 -1.8 5.0 . . . . . P . 203 GLN H . . P . 203 GLN HG2 . fSH2 . 203 . HN . . . fSH2 . 203 . HG* . . rr_1aot 1 4 2 OR . 2 2 3 3 GLN H H . . . 2 2 3 3 GLN HG3 H . . . . . 0.0 -1.8 5.0 . . . . . P . 203 GLN H . . P . 203 GLN HG3 . fSH2 . 203 . HN . . . fSH2 . 203 . HG* . . rr_1aot 1 5 1 . . 2 2 3 3 GLN HA H . . . 2 2 3 3 GLN HE21 H . . . . . 0.0 -1.8 5.0 . . . . . P . 203 GLN HA . . P . 203 GLN HE21 . fSH2 . 203 . HA . . . fSH2 . 203 . HE21 . . rr_1aot 1 6 1 OR . 2 2 3 3 GLN HA H . . . 2 2 3 3 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . P . 203 GLN HA . . P . 203 GLN HB2 . fSH2 . 203 . HA . . . fSH2 . 203 . HB* . . rr_1aot 1 6 2 OR . 2 2 3 3 GLN HA H . . . 2 2 3 3 GLN HB3 H . . . . . 0.0 -1.8 3.5 . . . . . P . 203 GLN HA . . P . 203 GLN HB3 . fSH2 . 203 . HA . . . fSH2 . 203 . HB* . . rr_1aot 1 7 1 OR . 2 2 3 3 GLN HA H . . . 2 2 3 3 GLN HG2 H . . . . . 0.0 -1.8 5.0 . . . . . P . 203 GLN HA . . P . 203 GLN HG2 . fSH2 . 203 . HA . . . fSH2 . 203 . HG* . . rr_1aot 1 7 2 OR . 2 2 3 3 GLN HA H . . . 2 2 3 3 GLN HG3 H . . . . . 0.0 -1.8 5.0 . . . . . P . 203 GLN HA . . P . 203 GLN HG3 . fSH2 . 203 . HA . . . fSH2 . 203 . HG* . . rr_1aot 1 8 1 OR . 2 2 5 5 GLU H H . . . 2 2 5 5 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . P . 205 GLU H . . P . 205 GLU HB2 . fSH2 . 205 . HN . . . fSH2 . 205 . HB* . . rr_1aot 1 8 2 OR . 2 2 5 5 GLU H H . . . 2 2 5 5 GLU HB3 H . . . . . 0.0 -1.8 3.5 . . . . . P . 205 GLU H . . P . 205 GLU HB3 . fSH2 . 205 . HN . . . fSH2 . 205 . HB* . . rr_1aot 1 9 1 OR . 2 2 5 5 GLU H H . . . 2 2 5 5 GLU HG2 H . . . . . 0.0 -1.8 3.5 . . . . . P . 205 GLU H . . P . 205 GLU HG2 . fSH2 . 205 . HN . . . fSH2 . 205 . HG* . . rr_1aot 1 9 2 OR . 2 2 5 5 GLU H H . . . 2 2 5 5 GLU HG3 H . . . . . 0.0 -1.8 3.5 . . . . . P . 205 GLU H . . P . 205 GLU HG3 . fSH2 . 205 . HN . . . fSH2 . 205 . HG* . . rr_1aot 1 10 1 . . 2 2 5 5 GLU H H . . . 2 2 5 5 GLU HA H . . . . . 0.0 -1.8 3.5 . . . . . P . 205 GLU H . . P . 205 GLU HA . fSH2 . 205 . HN . . . fSH2 . 205 . HA . . rr_1aot 1 11 1 OR . 2 2 5 5 GLU HA H . . . 2 2 5 5 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . P . 205 GLU HA . . P . 205 GLU HB2 . fSH2 . 205 . HA . . . fSH2 . 205 . HB* . . rr_1aot 1 11 2 OR . 2 2 5 5 GLU HB3 H . . . 2 2 5 5 GLU HA H . . . . . 0.0 -1.8 3.5 . . . . . P . 205 GLU HB3 . . P . 205 GLU HA . fSH2 . 205 . HB* . . . fSH2 . 205 . HA . . rr_1aot 1 12 1 OR . 2 2 5 5 GLU HA H . . . 2 2 5 5 GLU HG2 H . . . . . 0.0 -1.8 3.5 . . . . . P . 205 GLU HA . . P . 205 GLU HG2 . fSH2 . 205 . HA . . . fSH2 . 205 . HG* . . rr_1aot 1 12 2 OR . 2 2 5 5 GLU HG3 H . . . 2 2 5 5 GLU HA H . . . . . 0.0 -1.8 3.5 . . . . . P . 205 GLU HG3 . . P . 205 GLU HA . fSH2 . 205 . HG* . . . fSH2 . 205 . HA . . rr_1aot 1 13 1 . . 2 2 5 5 GLU HA H . . . 2 2 6 6 GLU H H . . . . . 0.0 -1.8 2.7 . . . . . P . 205 GLU HA . . P . 206 GLU H . fSH2 . 205 . HA . . . fSH2 . 206 . HN . . rr_1aot 1 14 1 OR . 2 2 5 5 GLU HA H . . . 2 2 6 6 GLU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . P . 205 GLU HA . . P . 206 GLU HB2 . fSH2 . 205 . HA . . . fSH2 . 206 . HB* . . rr_1aot 1 14 2 OR . 2 2 5 5 GLU HA H . . . 2 2 6 6 GLU HB3 H . . . . . 0.0 -1.8 5.0 . . . . . P . 205 GLU HA . . P . 206 GLU HB3 . fSH2 . 205 . HA . . . fSH2 . 206 . HB* . . rr_1aot 1 15 1 OR . 2 2 5 5 GLU HA H . . . 2 2 6 6 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . P . 205 GLU HA . . P . 206 GLU HG2 . fSH2 . 205 . HA . . . fSH2 . 206 . HG* . . rr_1aot 1 15 2 OR . 2 2 5 5 GLU HA H . . . 2 2 6 6 GLU HG3 H . . . . . 0.0 -1.8 5.0 . . . . . P . 205 GLU HA . . P . 206 GLU HG3 . fSH2 . 205 . HA . . . fSH2 . 206 . HG* . . rr_1aot 1 16 1 OR . 2 2 6 6 GLU H H . . . 2 2 5 5 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . P . 206 GLU H . . P . 205 GLU HB2 . fSH2 . 206 . HN . . . fSH2 . 205 . HB* . . rr_1aot 1 16 2 OR . 2 2 5 5 GLU HB3 H . . . 2 2 6 6 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . P . 205 GLU HB3 . . P . 206 GLU H . fSH2 . 205 . HB* . . . fSH2 . 206 . HN . . rr_1aot 1 17 1 OR . 2 2 6 6 GLU H H . . . 2 2 5 5 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . P . 206 GLU H . . P . 205 GLU HG2 . fSH2 . 206 . HN . . . fSH2 . 205 . HG* . . rr_1aot 1 17 2 OR . 2 2 5 5 GLU HG3 H . . . 2 2 6 6 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . P . 205 GLU HG3 . . P . 206 GLU H . fSH2 . 205 . HG* . . . fSH2 . 206 . HN . . rr_1aot 1 18 1 . . 1 1 61 61 TYR HA H . . . 2 2 5 5 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR HA . . P . 205 GLU H . fSH2 . 61 . HA . . . fSH2 . 205 . HN . . rr_1aot 1 19 1 OR . 1 1 60 60 HIS H H . . . 2 2 5 5 GLU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS H . . P . 205 GLU HB2 . fSH2 . 60 . HN . . . fSH2 . 205 . HB* . . rr_1aot 1 19 2 OR . 2 2 5 5 GLU HB3 H . . . 1 1 60 60 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . P . 205 GLU HB3 . . F . 60 HIS H . fSH2 . 205 . HB* . . . fSH2 . 60 . HN . . rr_1aot 1 20 1 OR . 1 1 60 60 HIS H H . . . 2 2 5 5 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS H . . P . 205 GLU HG2 . fSH2 . 60 . HN . . . fSH2 . 205 . HG* . . rr_1aot 1 20 2 OR . 2 2 5 5 GLU HG3 H . . . 1 1 60 60 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . P . 205 GLU HG3 . . F . 60 HIS H . fSH2 . 205 . HG* . . . fSH2 . 60 . HN . . rr_1aot 1 21 1 OR . 1 1 61 61 TYR QE H . . . 2 2 5 5 GLU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR QE . . P . 205 GLU HB2 . fSH2 . 61 . HE* . . . fSH2 . 205 . HB* . . rr_1aot 1 21 2 OR . 2 2 5 5 GLU HB3 H . . . 1 1 61 61 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . P . 205 GLU HB3 . . F . 61 TYR QE . fSH2 . 205 . HB* . . . fSH2 . 61 . HE* . . rr_1aot 1 22 1 OR . 1 1 61 61 TYR QE H . . . 2 2 5 5 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR QE . . P . 205 GLU HG2 . fSH2 . 61 . HE* . . . fSH2 . 205 . HG* . . rr_1aot 1 22 2 OR . 2 2 5 5 GLU HG3 H . . . 1 1 61 61 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . P . 205 GLU HG3 . . F . 61 TYR QE . fSH2 . 205 . HG* . . . fSH2 . 61 . HE* . . rr_1aot 1 23 1 OR . 2 2 6 6 GLU H H . . . 2 2 6 6 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . P . 206 GLU H . . P . 206 GLU HB2 . fSH2 . 206 . HN . . . fSH2 . 206 . HB* . . rr_1aot 1 23 2 OR . 2 2 6 6 GLU H H . . . 2 2 6 6 GLU HB3 H . . . . . 0.0 -1.8 3.5 . . . . . P . 206 GLU H . . P . 206 GLU HB3 . fSH2 . 206 . HN . . . fSH2 . 206 . HB* . . rr_1aot 1 24 1 OR . 2 2 6 6 GLU H H . . . 2 2 6 6 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . P . 206 GLU H . . P . 206 GLU HG2 . fSH2 . 206 . HN . . . fSH2 . 206 . HG* . . rr_1aot 1 24 2 OR . 2 2 6 6 GLU H H . . . 2 2 6 6 GLU HG3 H . . . . . 0.0 -1.8 5.0 . . . . . P . 206 GLU H . . P . 206 GLU HG3 . fSH2 . 206 . HN . . . fSH2 . 206 . HG* . . rr_1aot 1 25 1 . . 2 2 6 6 GLU HA H . . . 2 2 7 7 ILE H H . . . . . 0.0 -1.8 2.7 . . . . . P . 206 GLU HA . . P . 207 ILE H . fSH2 . 206 . HA . . . fSH2 . 207 . HN . . rr_1aot 1 26 1 OR . 2 2 7 7 ILE H H . . . 2 2 6 6 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . P . 207 ILE H . . P . 206 GLU HB2 . fSH2 . 207 . HN . . . fSH2 . 206 . HB* . . rr_1aot 1 26 2 OR . 2 2 6 6 GLU HB3 H . . . 2 2 7 7 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . P . 206 GLU HB3 . . P . 207 ILE H . fSH2 . 206 . HB* . . . fSH2 . 207 . HN . . rr_1aot 1 27 1 OR . 2 2 7 7 ILE H H . . . 2 2 6 6 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . P . 207 ILE H . . P . 206 GLU HG2 . fSH2 . 207 . HN . . . fSH2 . 206 . HG* . . rr_1aot 1 27 2 OR . 2 2 6 6 GLU HG3 H . . . 2 2 7 7 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . P . 206 GLU HG3 . . P . 207 ILE H . fSH2 . 206 . HG* . . . fSH2 . 207 . HN . . rr_1aot 1 28 1 . . 2 2 7 7 ILE H H . . . 2 2 7 7 ILE HA H . . . . . 0.0 -1.8 5.0 . . . . . P . 207 ILE H . . P . 207 ILE HA . fSH2 . 207 . HN . . . fSH2 . 207 . HA . . rr_1aot 1 29 1 OR . 2 2 7 7 ILE HA H . . . 2 2 7 7 ILE HG12 H . . . . . 0.0 -1.8 3.5 . . . . . P . 207 ILE HA . . P . 207 ILE HG12 . fSH2 . 207 . HA . . . fSH2 . 207 . HG1* . . rr_1aot 1 29 2 OR . 2 2 7 7 ILE HA H . . . 2 2 7 7 ILE HG13 H . . . . . 0.0 -1.8 3.5 . . . . . P . 207 ILE HA . . P . 207 ILE HG13 . fSH2 . 207 . HA . . . fSH2 . 207 . HG1* . . rr_1aot 1 30 1 OR . 2 2 7 7 ILE H H . . . 2 2 7 7 ILE HG12 H . . . . . 0.0 -1.8 5.0 . . . . . P . 207 ILE H . . P . 207 ILE HG12 . fSH2 . 207 . HN . . . fSH2 . 207 . HG1* . . rr_1aot 1 30 2 OR . 2 2 7 7 ILE H H . . . 2 2 7 7 ILE HG13 H . . . . . 0.0 -1.8 5.0 . . . . . P . 207 ILE H . . P . 207 ILE HG13 . fSH2 . 207 . HN . . . fSH2 . 207 . HG1* . . rr_1aot 1 31 1 . . 2 2 7 7 ILE H H . . . 1 1 73 73 ILE MG H . . . . . 0.0 -1.8 5.0 . . . . . P . 207 ILE H . . F . 73 ILE MG . fSH2 . 207 . HN . . . fSH2 . 73 . HG2* . . rr_1aot 1 32 1 OR . 1 1 61 61 TYR QE H . . . 2 2 7 7 ILE HG12 H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR QE . . P . 207 ILE HG12 . fSH2 . 61 . HE* . . . fSH2 . 207 . HG1* . . rr_1aot 1 32 2 OR . 1 1 61 61 TYR QE H . . . 2 2 7 7 ILE HG13 H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR QE . . P . 207 ILE HG13 . fSH2 . 61 . HE* . . . fSH2 . 207 . HG1* . . rr_1aot 1 33 1 OR . 1 1 74 74 THR MG H . . . 2 2 7 7 ILE HG12 H . . . . . 0.0 -1.8 5.0 . . . . . F . 74 THR MG . . P . 207 ILE HG12 . fSH2 . 74 . HG2* . . . fSH2 . 207 . HG1* . . rr_1aot 1 33 2 OR . 2 2 7 7 ILE HG13 H . . . 1 1 74 74 THR MG H . . . . . 0.0 -1.8 5.0 . . . . . P . 207 ILE HG13 . . F . 74 THR MG . fSH2 . 207 . HG1* . . . fSH2 . 74 . HG2* . . rr_1aot 1 34 1 OR . 1 1 95 95 GLY H H . . . 2 2 7 7 ILE HG12 H . . . . . 0.0 -1.8 5.0 . . . . . F . 95 GLY H . . P . 207 ILE HG12 . fSH2 . 95 . HN . . . fSH2 . 207 . HG1* . . rr_1aot 1 34 2 OR . 2 2 7 7 ILE HG13 H . . . 1 1 95 95 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . P . 207 ILE HG13 . . F . 95 GLY H . fSH2 . 207 . HG1* . . . fSH2 . 95 . HN . . rr_1aot 1 35 1 OR . 1 1 95 95 GLY HA3 H . . . 2 2 7 7 ILE HG12 H . . . . . 0.0 -1.8 3.5 . . . . . F . 95 GLY HA3 . . P . 207 ILE HG12 . fSH2 . 95 . HA1 . . . fSH2 . 207 . HG1* . . rr_1aot 1 35 2 OR . 2 2 7 7 ILE HG13 H . . . 1 1 95 95 GLY HA3 H . . . . . 0.0 -1.8 3.5 . . . . . P . 207 ILE HG13 . . F . 95 GLY HA3 . fSH2 . 207 . HG1* . . . fSH2 . 95 . HA1 . . rr_1aot 1 36 1 OR . 1 1 95 95 GLY HA2 H . . . 2 2 7 7 ILE HG12 H . . . . . 0.0 -1.8 3.5 . . . . . F . 95 GLY HA2 . . P . 207 ILE HG12 . fSH2 . 95 . HA2 . . . fSH2 . 207 . HG1* . . rr_1aot 1 36 2 OR . 2 2 7 7 ILE HG13 H . . . 1 1 95 95 GLY HA2 H . . . . . 0.0 -1.8 3.5 . . . . . P . 207 ILE HG13 . . F . 95 GLY HA2 . fSH2 . 207 . HG1* . . . fSH2 . 95 . HA2 . . rr_1aot 1 37 1 . . 2 2 7 7 ILE MD H . . . 1 1 61 61 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . P . 207 ILE MD . . F . 61 TYR QD . fSH2 . 207 . HD1* . . . fSH2 . 61 . HD* . . rr_1aot 1 38 1 . . 1 1 73 73 ILE MG H . . . 2 2 7 7 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE MG . . P . 207 ILE MD . fSH2 . 73 . HG2* . . . fSH2 . 207 . HD1* . . rr_1aot 1 39 1 . . 1 1 74 74 THR MG H . . . 2 2 7 7 ILE MD H . . . . . 0.0 -1.8 3.5 . . . . . F . 74 THR MG . . P . 207 ILE MD . fSH2 . 74 . HG2* . . . fSH2 . 207 . HD1* . . rr_1aot 1 40 1 . . 2 2 7 7 ILE MD H . . . 1 1 96 96 LEU MD2 H . . . . . 0.0 -1.8 3.5 . . . . . P . 207 ILE MD . . F . 96 LEU MD2 . fSH2 . 207 . HD1* . . . fSH2 . 96 . HD2* . . rr_1aot 1 41 1 . . 2 2 7 7 ILE MD H . . . 1 1 96 96 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . P . 207 ILE MD . . F . 96 LEU H . fSH2 . 207 . HD1* . . . fSH2 . 96 . HN . . rr_1aot 1 42 1 . . 2 2 7 7 ILE MD H . . . 1 1 97 97 SER H H . . . . . 0.0 -1.8 5.0 . . . . . P . 207 ILE MD . . F . 97 SER H . fSH2 . 207 . HD1* . . . fSH2 . 97 . HN . . rr_1aot 1 43 1 . . 2 2 8 8 PRO HA H . . . 2 2 9 9 ILE H H . . . . . 0.0 -1.8 2.7 . . . . . P . 208 PRO HA . . P . 209 ILE H . fSH2 . 208 . HA . . . fSH2 . 209 . HN . . rr_1aot 1 44 1 . . 2 2 9 9 ILE H H . . . 2 2 9 9 ILE HA H . . . . . 0.0 -1.8 3.5 . . . . . P . 209 ILE H . . P . 209 ILE HA . fSH2 . 209 . HN . . . fSH2 . 209 . HA . . rr_1aot 1 45 1 . . 2 2 9 9 ILE H H . . . 2 2 9 9 ILE HB H . . . . . 0.0 -1.8 3.5 . . . . . P . 209 ILE H . . P . 209 ILE HB . fSH2 . 209 . HN . . . fSH2 . 209 . HB . . rr_1aot 1 46 1 . . 2 2 9 9 ILE HA H . . . 2 2 10 10 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . P . 209 ILE HA . . P . 210 TYR H . fSH2 . 209 . HA . . . fSH2 . 210 . HN . . rr_1aot 1 47 1 . . 2 2 9 9 ILE HB H . . . 2 2 10 10 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . P . 209 ILE HB . . P . 210 TYR H . fSH2 . 209 . HB . . . fSH2 . 210 . HN . . rr_1aot 1 48 1 . . 2 2 9 9 ILE H H . . . 2 2 10 10 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . P . 209 ILE H . . P . 210 TYR H . fSH2 . 209 . HN . . . fSH2 . 210 . HN . . rr_1aot 1 49 1 . . 2 2 9 9 ILE H H . . . 2 2 10 10 TYR HB3 H . . . . . 0.0 -1.8 5.0 . . . . . P . 209 ILE H . . P . 210 TYR HB3 . fSH2 . 209 . HN . . . fSH2 . 210 . HB1 . . rr_1aot 1 50 1 . . 2 2 9 9 ILE H H . . . 2 2 10 10 TYR HB2 H . . . . . 0.0 -1.8 5.0 . . . . . P . 209 ILE H . . P . 210 TYR HB2 . fSH2 . 209 . HN . . . fSH2 . 210 . HB2 . . rr_1aot 1 51 1 . . 2 2 10 10 TYR H H . . . 2 2 10 10 TYR HA H . . . . . 0.0 -1.8 3.5 . . . . . P . 210 TYR H . . P . 210 TYR HA . fSH2 . 210 . HN . . . fSH2 . 210 . HA . . rr_1aot 1 52 1 . . 2 2 10 10 TYR HA H . . . 2 2 10 10 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . P . 210 TYR HA . . P . 210 TYR QD . fSH2 . 210 . HA . . . fSH2 . 210 . HD* . . rr_1aot 1 53 1 . . 2 2 10 10 TYR H H . . . 2 2 10 10 TYR HB3 H . . . . . 0.0 -1.8 3.5 . . . . . P . 210 TYR H . . P . 210 TYR HB3 . fSH2 . 210 . HN . . . fSH2 . 210 . HB1 . . rr_1aot 1 54 1 . . 2 2 10 10 TYR H H . . . 2 2 10 10 TYR HB2 H . . . . . 0.0 -1.8 3.5 . . . . . P . 210 TYR H . . P . 210 TYR HB2 . fSH2 . 210 . HN . . . fSH2 . 210 . HB2 . . rr_1aot 1 55 1 . . 2 2 10 10 TYR H H . . . 2 2 10 10 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . P . 210 TYR H . . P . 210 TYR QD . fSH2 . 210 . HN . . . fSH2 . 210 . HD* . . rr_1aot 1 56 1 . . 2 2 10 10 TYR H H . . . 2 2 10 10 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . P . 210 TYR H . . P . 210 TYR QE . fSH2 . 210 . HN . . . fSH2 . 210 . HE* . . rr_1aot 1 57 1 . . 2 2 10 10 TYR HB3 H . . . 2 2 10 10 TYR QD H . . . . . 0.0 -1.8 2.7 . . . . . P . 210 TYR HB3 . . P . 210 TYR QD . fSH2 . 210 . HB1 . . . fSH2 . 210 . HD* . . rr_1aot 1 58 1 . . 2 2 10 10 TYR HB2 H . . . 2 2 10 10 TYR QD H . . . . . 0.0 -1.8 2.7 . . . . . P . 210 TYR HB2 . . P . 210 TYR QD . fSH2 . 210 . HB2 . . . fSH2 . 210 . HD* . . rr_1aot 1 59 1 . . 2 2 10 10 TYR HB3 H . . . 2 2 10 10 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . P . 210 TYR HB3 . . P . 210 TYR QE . fSH2 . 210 . HB1 . . . fSH2 . 210 . HE* . . rr_1aot 1 60 1 . . 2 2 10 10 TYR HB2 H . . . 2 2 10 10 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . P . 210 TYR HB2 . . P . 210 TYR QE . fSH2 . 210 . HB2 . . . fSH2 . 210 . HE* . . rr_1aot 1 61 1 . . 2 2 10 10 TYR HA H . . . 2 2 11 11 LEU H H . . . . . 0.0 -1.8 2.7 . . . . . P . 210 TYR HA . . P . 211 LEU H . fSH2 . 210 . HA . . . fSH2 . 211 . HN . . rr_1aot 1 62 1 . . 2 2 10 10 TYR HB3 H . . . 2 2 11 11 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . P . 210 TYR HB3 . . P . 211 LEU H . fSH2 . 210 . HB1 . . . fSH2 . 211 . HN . . rr_1aot 1 63 1 . . 2 2 10 10 TYR HB2 H . . . 2 2 11 11 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . P . 210 TYR HB2 . . P . 211 LEU H . fSH2 . 210 . HB2 . . . fSH2 . 211 . HN . . rr_1aot 1 64 1 . . 2 2 10 10 TYR QD H . . . 2 2 11 11 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . P . 210 TYR QD . . P . 211 LEU H . fSH2 . 210 . HD* . . . fSH2 . 211 . HN . . rr_1aot 1 65 1 . . 2 2 11 11 LEU H H . . . 2 2 11 11 LEU HA H . . . . . 0.0 -1.8 3.5 . . . . . P . 211 LEU H . . P . 211 LEU HA . fSH2 . 211 . HN . . . fSH2 . 211 . HA . . rr_1aot 1 66 1 OR . 2 2 11 11 LEU H H . . . 2 2 11 11 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . P . 211 LEU H . . P . 211 LEU MD1 . fSH2 . 211 . HN . . . fSH2 . 211 . HD* . . rr_1aot 1 66 2 OR . 2 2 11 11 LEU H H . . . 2 2 11 11 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . P . 211 LEU H . . P . 211 LEU MD2 . fSH2 . 211 . HN . . . fSH2 . 211 . HD* . . rr_1aot 1 67 1 . . 1 1 3 3 GLN HA H . . . 1 1 3 3 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 3 GLN HA . . F . 3 GLN H . fSH2 . 3 . HA . . . fSH2 . 3 . HN . . rr_1aot 1 68 1 OR . 1 1 3 3 GLN H H . . . 1 1 3 3 GLN HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 3 GLN H . . F . 3 GLN HG2 . fSH2 . 3 . HN . . . fSH2 . 3 . HG* . . rr_1aot 1 68 2 OR . 1 1 3 3 GLN H H . . . 1 1 3 3 GLN HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 3 GLN H . . F . 3 GLN HG3 . fSH2 . 3 . HN . . . fSH2 . 3 . HG* . . rr_1aot 1 69 1 . . 1 1 3 3 GLN H H . . . 1 1 3 3 GLN HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 3 GLN H . . F . 3 GLN HB3 . fSH2 . 3 . HN . . . fSH2 . 3 . HB1 . . rr_1aot 1 70 1 . . 1 1 3 3 GLN H H . . . 1 1 3 3 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 3 GLN H . . F . 3 GLN HB2 . fSH2 . 3 . HN . . . fSH2 . 3 . HB2 . . rr_1aot 1 71 1 . . 1 1 4 4 ALA MB H . . . 1 1 4 4 ALA H H . . . . . 0.0 -1.8 2.7 . . . . . F . 4 ALA MB . . F . 4 ALA H . fSH2 . 4 . HB* . . . fSH2 . 4 . HN . . rr_1aot 1 72 1 . . 1 1 4 4 ALA H H . . . 1 1 4 4 ALA HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 4 ALA H . . F . 4 ALA HA . fSH2 . 4 . HN . . . fSH2 . 4 . HA* . . rr_1aot 1 73 1 . . 1 1 5 5 GLU HA H . . . 1 1 5 5 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 5 GLU HA . . F . 5 GLU H . fSH2 . 5 . HA* . . . fSH2 . 5 . HN . . rr_1aot 1 74 1 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HG3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 5 GLU H . . F . 5 GLU HG3 . fSH2 . 5 . HN . . . fSH2 . 5 . HG* . . rr_1aot 1 74 2 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 5 GLU H . . F . 5 GLU HG2 . fSH2 . 5 . HN . . . fSH2 . 5 . HG* . . rr_1aot 1 75 1 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 5 GLU H . . F . 5 GLU HB2 . fSH2 . 5 . HN . . . fSH2 . 5 . HB* . . rr_1aot 1 75 2 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 5 GLU H . . F . 5 GLU HB3 . fSH2 . 5 . HN . . . fSH2 . 5 . HB* . . rr_1aot 1 76 1 OR . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 6 GLU H . . F . 6 GLU HG2 . fSH2 . 6 . HN . . . fSH2 . 6 . HG* . . rr_1aot 1 76 2 OR . 1 1 6 6 GLU HG3 H . . . 1 1 6 6 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 6 GLU HG3 . . F . 6 GLU H . fSH2 . 6 . HG* . . . fSH2 . 6 . HN . . rr_1aot 1 77 1 OR . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 6 GLU H . . F . 6 GLU HB2 . fSH2 . 6 . HN . . . fSH2 . 6 . HB* . . rr_1aot 1 77 2 OR . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 6 GLU H . . F . 6 GLU HB3 . fSH2 . 6 . HN . . . fSH2 . 6 . HB* . . rr_1aot 1 78 1 . . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 6 GLU H . . F . 6 GLU HA . fSH2 . 6 . HN . . . fSH2 . 6 . HA* . . rr_1aot 1 79 1 . . 1 1 7 7 TRP HE1 H . . . 1 1 7 7 TRP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HE1 . . F . 7 TRP H . fSH2 . 7 . HE1 . . . fSH2 . 7 . HN . . rr_1aot 1 80 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 7 TRP H . . F . 7 TRP HD1 . fSH2 . 7 . HN . . . fSH2 . 7 . HD1 . . rr_1aot 1 81 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 7 TRP H . . F . 7 TRP HA . fSH2 . 7 . HN . . . fSH2 . 7 . HA . . rr_1aot 1 82 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP H . . F . 7 TRP HB2 . fSH2 . 7 . HN . . . fSH2 . 7 . HB2 . . rr_1aot 1 83 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 7 7 TRP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HD1 . . F . 7 TRP HB2 . fSH2 . 7 . HD1 . . . fSH2 . 7 . HB2 . . rr_1aot 1 84 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP H . . F . 7 TRP HB3 . fSH2 . 7 . HN . . . fSH2 . 7 . HB1 . . rr_1aot 1 85 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 7 7 TRP HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HD1 . . F . 7 TRP HB3 . fSH2 . 7 . HD1 . . . fSH2 . 7 . HB1 . . rr_1aot 1 86 1 . . 1 1 8 8 TYR HB3 H . . . 1 1 8 8 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 8 TYR HB3 . . F . 8 TYR H . fSH2 . 8 . HB1 . . . fSH2 . 8 . HN . . rr_1aot 1 87 1 . . 1 1 8 8 TYR H H . . . 1 1 8 8 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR H . . F . 8 TYR QD . fSH2 . 8 . HN . . . fSH2 . 8 . HD* . . rr_1aot 1 88 1 . . 1 1 8 8 TYR H H . . . 1 1 8 8 TYR HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 8 TYR H . . F . 8 TYR HA . fSH2 . 8 . HN . . . fSH2 . 8 . HA . . rr_1aot 1 89 1 . . 1 1 8 8 TYR H H . . . 1 1 8 8 TYR HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 8 TYR H . . F . 8 TYR HB2 . fSH2 . 8 . HN . . . fSH2 . 8 . HB2 . . rr_1aot 1 90 1 . . 1 1 9 9 PHE QD H . . . 1 1 9 9 PHE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 9 PHE QD . . F . 9 PHE H . fSH2 . 9 . HD* . . . fSH2 . 9 . HN . . rr_1aot 1 91 1 . . 1 1 9 9 PHE H H . . . 1 1 9 9 PHE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE H . . F . 9 PHE HA . fSH2 . 9 . HN . . . fSH2 . 9 . HA . . rr_1aot 1 92 1 . . 1 1 9 9 PHE H H . . . 1 1 9 9 PHE HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE H . . F . 9 PHE HB3 . fSH2 . 9 . HN . . . fSH2 . 9 . HB1 . . rr_1aot 1 93 1 . . 1 1 9 9 PHE H H . . . 1 1 9 9 PHE HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE H . . F . 9 PHE HB2 . fSH2 . 9 . HN . . . fSH2 . 9 . HB2 . . rr_1aot 1 94 1 . . 1 1 10 10 GLY HA2 H . . . 1 1 10 10 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 10 GLY HA2 . . F . 10 GLY H . fSH2 . 10 . HA2 . . . fSH2 . 10 . HN . . rr_1aot 1 95 1 . . 1 1 10 10 GLY H H . . . 1 1 10 10 GLY HA3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 10 GLY H . . F . 10 GLY HA3 . fSH2 . 10 . HN . . . fSH2 . 10 . HA1 . . rr_1aot 1 96 1 . . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 11 LYS H . . F . 11 LYS HA . fSH2 . 11 . HN . . . fSH2 . 11 . HA* . . rr_1aot 1 97 1 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 11 LYS H . . F . 11 LYS HB2 . fSH2 . 11 . HN . . . fSH2 . 11 . HB* . . rr_1aot 1 97 2 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 11 LYS H . . F . 11 LYS HB3 . fSH2 . 11 . HN . . . fSH2 . 11 . HB* . . rr_1aot 1 98 1 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HG2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 11 LYS H . . F . 11 LYS HG2 . fSH2 . 11 . HN . . . fSH2 . 11 . HG* . . rr_1aot 1 98 2 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HG3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 11 LYS H . . F . 11 LYS HG3 . fSH2 . 11 . HN . . . fSH2 . 11 . HG* . . rr_1aot 1 99 1 . . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 12 LEU HA . . F . 12 LEU H . fSH2 . 12 . HA . . . fSH2 . 12 . HN . . rr_1aot 1 100 1 . . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 12 LEU HA . . F . 12 LEU MD1 . fSH2 . 12 . HA . . . fSH2 . 12 . HD1* . . rr_1aot 1 101 1 . . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 12 LEU HA . . F . 12 LEU MD2 . fSH2 . 12 . HA . . . fSH2 . 12 . HD2* . . rr_1aot 1 102 1 OR . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 12 LEU H . . F . 12 LEU HB2 . fSH2 . 12 . HN . . . fSH2 . 12 . HB* . . rr_1aot 1 102 2 OR . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 12 LEU H . . F . 12 LEU HB3 . fSH2 . 12 . HN . . . fSH2 . 12 . HB* . . rr_1aot 1 103 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 12 LEU H . . F . 12 LEU MD1 . fSH2 . 12 . HN . . . fSH2 . 12 . HD1* . . rr_1aot 1 104 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 12 LEU H . . F . 12 LEU MD2 . fSH2 . 12 . HN . . . fSH2 . 12 . HD2* . . rr_1aot 1 105 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HG H . . . . . 0.0 -1.8 5.0 . . . . . F . 12 LEU H . . F . 12 LEU HG . fSH2 . 12 . HN . . . fSH2 . 12 . HG* . . rr_1aot 1 106 1 . . 1 1 13 13 GLY HA3 H . . . 1 1 13 13 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 13 GLY HA3 . . F . 13 GLY H . fSH2 . 13 . HA1 . . . fSH2 . 13 . HN* . . rr_1aot 1 107 1 . . 1 1 13 13 GLY HA2 H . . . 1 1 13 13 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 13 GLY HA2 . . F . 13 GLY H . fSH2 . 13 . HA2 . . . fSH2 . 13 . HN* . . rr_1aot 1 108 1 . . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 14 ARG H . . F . 14 ARG HA . fSH2 . 14 . HN* . . . fSH2 . 14 . HA* . . rr_1aot 1 109 1 OR . 1 1 14 14 ARG HG3 H . . . 1 1 14 14 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 14 ARG HG3 . . F . 14 ARG H . fSH2 . 14 . HG* . . . fSH2 . 14 . HN* . . rr_1aot 1 109 2 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 14 ARG H . . F . 14 ARG HG2 . fSH2 . 14 . HN* . . . fSH2 . 14 . HG* . . rr_1aot 1 110 1 OR . 1 1 14 14 ARG HB3 H . . . 1 1 14 14 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 14 ARG HB3 . . F . 14 ARG H . fSH2 . 14 . HB* . . . fSH2 . 14 . HN* . . rr_1aot 1 110 2 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 14 ARG H . . F . 14 ARG HB2 . fSH2 . 14 . HN* . . . fSH2 . 14 . HB* . . rr_1aot 1 111 1 OR . 1 1 14 14 ARG HD3 H . . . 1 1 14 14 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 14 ARG HD3 . . F . 14 ARG H . fSH2 . 14 . HD* . . . fSH2 . 14 . HN* . . rr_1aot 1 111 2 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 14 ARG H . . F . 14 ARG HD2 . fSH2 . 14 . HN* . . . fSH2 . 14 . HD* . . rr_1aot 1 112 1 . . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 15 LYS HA . . F . 15 LYS H . fSH2 . 15 . HA* . . . fSH2 . 15 . HN* . . rr_1aot 1 113 1 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 15 LYS H . . F . 15 LYS HB2 . fSH2 . 15 . HN* . . . fSH2 . 15 . HB* . . rr_1aot 1 113 2 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HB3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 15 LYS H . . F . 15 LYS HB3 . fSH2 . 15 . HN* . . . fSH2 . 15 . HB* . . rr_1aot 1 114 1 . . 1 1 16 16 ASP HA H . . . 1 1 16 16 ASP H H . . . . . 0.0 -1.8 2.7 . . . . . F . 16 ASP HA . . F . 16 ASP H . fSH2 . 16 . HA* . . . fSH2 . 16 . HN* . . rr_1aot 1 115 1 . . 1 1 16 16 ASP HB2 H . . . 1 1 16 16 ASP H H . . . . . 0.0 -1.8 2.7 . . . . . F . 16 ASP HB2 . . F . 16 ASP H . fSH2 . 16 . HB2* . . . fSH2 . 16 . HN* . . rr_1aot 1 116 1 . . 1 1 16 16 ASP HB3 H . . . 1 1 16 16 ASP H H . . . . . 0.0 -1.8 2.7 . . . . . F . 16 ASP HB3 . . F . 16 ASP H . fSH2 . 16 . HB1* . . . fSH2 . 16 . HN* . . rr_1aot 1 117 1 . . 1 1 17 17 ALA H H . . . 1 1 17 17 ALA HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 17 ALA H . . F . 17 ALA HA . fSH2 . 17 . HN* . . . fSH2 . 17 . HA* . . rr_1aot 1 118 1 . . 1 1 17 17 ALA MB H . . . 1 1 17 17 ALA H H . . . . . 0.0 -1.8 2.7 . . . . . F . 17 ALA MB . . F . 17 ALA H . fSH2 . 17 . HB* . . . fSH2 . 17 . HN* . . rr_1aot 1 119 1 . . 1 1 18 18 GLU HG2 H . . . 1 1 18 18 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 18 GLU HG2 . . F . 18 GLU H . fSH2 . 18 . HG2* . . . fSH2 . 18 . HN* . . rr_1aot 1 120 1 . . 1 1 18 18 GLU H H . . . 1 1 18 18 GLU HG3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 18 GLU H . . F . 18 GLU HG3 . fSH2 . 18 . HN* . . . fSH2 . 18 . HG1* . . rr_1aot 1 121 1 OR . 1 1 18 18 GLU HB3 H . . . 1 1 18 18 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 18 GLU HB3 . . F . 18 GLU H . fSH2 . 18 . HB* . . . fSH2 . 18 . HN* . . rr_1aot 1 121 2 OR . 1 1 18 18 GLU H H . . . 1 1 18 18 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 18 GLU H . . F . 18 GLU HB2 . fSH2 . 18 . HN* . . . fSH2 . 18 . HB* . . rr_1aot 1 122 1 . . 1 1 18 18 GLU HA H . . . 1 1 18 18 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 18 GLU HA . . F . 18 GLU H . fSH2 . 18 . HA . . . fSH2 . 18 . HN* . . rr_1aot 1 123 1 . . 1 1 19 19 ARG HA H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 19 ARG HA . . F . 19 ARG H . fSH2 . 19 . HA* . . . fSH2 . 19 . HN* . . rr_1aot 1 124 1 OR . 1 1 19 19 ARG HB3 H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 19 ARG HB3 . . F . 19 ARG H . fSH2 . 19 . HB* . . . fSH2 . 19 . HN* . . rr_1aot 1 124 2 OR . 1 1 19 19 ARG H H . . . 1 1 19 19 ARG HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 19 ARG H . . F . 19 ARG HB2 . fSH2 . 19 . HN* . . . fSH2 . 19 . HB* . . rr_1aot 1 125 1 OR . 1 1 19 19 ARG HG3 H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG HG3 . . F . 19 ARG H . fSH2 . 19 . HG* . . . fSH2 . 19 . HN* . . rr_1aot 1 125 2 OR . 1 1 19 19 ARG H H . . . 1 1 19 19 ARG HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG H . . F . 19 ARG HG2 . fSH2 . 19 . HN* . . . fSH2 . 19 . HG* . . rr_1aot 1 126 1 OR . 1 1 19 19 ARG HA H . . . 1 1 19 19 ARG HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG HA . . F . 19 ARG HG2 . fSH2 . 19 . HA . . . fSH2 . 19 . HG* . . rr_1aot 1 126 2 OR . 1 1 19 19 ARG HG3 H . . . 1 1 19 19 ARG HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG HG3 . . F . 19 ARG HA . fSH2 . 19 . HG* . . . fSH2 . 19 . HA . . rr_1aot 1 127 1 OR . 1 1 19 19 ARG HD3 H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG HD3 . . F . 19 ARG H . fSH2 . 19 . HD* . . . fSH2 . 19 . HN* . . rr_1aot 1 127 2 OR . 1 1 19 19 ARG H H . . . 1 1 19 19 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG H . . F . 19 ARG HD2 . fSH2 . 19 . HN* . . . fSH2 . 19 . HD* . . rr_1aot 1 128 1 OR . 1 1 19 19 ARG HA H . . . 1 1 19 19 ARG HD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 19 ARG HA . . F . 19 ARG HD2 . fSH2 . 19 . HA . . . fSH2 . 19 . HD* . . rr_1aot 1 128 2 OR . 1 1 19 19 ARG HA H . . . 1 1 19 19 ARG HD3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 19 ARG HA . . F . 19 ARG HD3 . fSH2 . 19 . HA . . . fSH2 . 19 . HD* . . rr_1aot 1 129 1 . . 1 1 20 20 GLN HA H . . . 1 1 20 20 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 20 GLN HA . . F . 20 GLN H . fSH2 . 20 . HA* . . . fSH2 . 20 . HN* . . rr_1aot 1 130 1 OR . 1 1 20 20 GLN HB3 H . . . 1 1 20 20 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 20 GLN HB3 . . F . 20 GLN H . fSH2 . 20 . HB* . . . fSH2 . 20 . HN* . . rr_1aot 1 130 2 OR . 1 1 20 20 GLN H H . . . 1 1 20 20 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 20 GLN H . . F . 20 GLN HB2 . fSH2 . 20 . HN* . . . fSH2 . 20 . HB* . . rr_1aot 1 131 1 OR . 1 1 20 20 GLN HG3 H . . . 1 1 20 20 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 20 GLN HG3 . . F . 20 GLN H . fSH2 . 20 . HG* . . . fSH2 . 20 . HN* . . rr_1aot 1 131 2 OR . 1 1 20 20 GLN H H . . . 1 1 20 20 GLN HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 20 GLN H . . F . 20 GLN HG2 . fSH2 . 20 . HN* . . . fSH2 . 20 . HG* . . rr_1aot 1 132 1 OR . 1 1 21 21 LEU MD2 H . . . 1 1 21 21 LEU H H . . . . . 0.0 -1.8 2.7 . . . . . F . 21 LEU MD2 . . F . 21 LEU H . fSH2 . 21 . HD* . . . fSH2 . 21 . HN* . . rr_1aot 1 132 2 OR . 1 1 21 21 LEU H H . . . 1 1 21 21 LEU MD1 H . . . . . 0.0 -1.8 2.7 . . . . . F . 21 LEU H . . F . 21 LEU MD1 . fSH2 . 21 . HN* . . . fSH2 . 21 . HD* . . rr_1aot 1 133 1 . . 1 1 21 21 LEU H H . . . 1 1 21 21 LEU HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 21 LEU H . . F . 21 LEU HA . fSH2 . 21 . HN* . . . fSH2 . 21 . HA* . . rr_1aot 1 134 1 . . 1 1 22 22 LEU HA H . . . 1 1 22 22 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 22 LEU HA . . F . 22 LEU H . fSH2 . 22 . HA* . . . fSH2 . 22 . HN* . . rr_1aot 1 135 1 . . 1 1 22 22 LEU HG H . . . 1 1 22 22 LEU H H . . . . . 0.0 -1.8 2.7 . . . . . F . 22 LEU HG . . F . 22 LEU H . fSH2 . 22 . HG* . . . fSH2 . 22 . HN* . . rr_1aot 1 136 1 . . 1 1 22 22 LEU MD1 H . . . 1 1 22 22 LEU H H . . . . . 0.0 -1.8 2.7 . . . . . F . 22 LEU MD1 . . F . 22 LEU H . fSH2 . 22 . HD1* . . . fSH2 . 22 . HN* . . rr_1aot 1 137 1 . . 1 1 23 23 SER HA H . . . 1 1 23 23 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 23 SER HA . . F . 23 SER H . fSH2 . 23 . HA* . . . fSH2 . 23 . HN* . . rr_1aot 1 138 1 OR . 1 1 23 23 SER HB3 H . . . 1 1 23 23 SER H H . . . . . 0.0 -1.8 2.7 . . . . . F . 23 SER HB3 . . F . 23 SER H . fSH2 . 23 . HB* . . . fSH2 . 23 . HN* . . rr_1aot 1 138 2 OR . 1 1 23 23 SER H H . . . 1 1 23 23 SER HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 23 SER H . . F . 23 SER HB2 . fSH2 . 23 . HN* . . . fSH2 . 23 . HB* . . rr_1aot 1 139 1 . . 1 1 24 24 PHE H H . . . 1 1 24 24 PHE HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 24 PHE H . . F . 24 PHE HB3 . fSH2 . 24 . HN . . . fSH2 . 24 . HB1 . . rr_1aot 1 140 1 . . 1 1 24 24 PHE H H . . . 1 1 24 24 PHE HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 24 PHE H . . F . 24 PHE HB2 . fSH2 . 24 . HN . . . fSH2 . 24 . HB2 . . rr_1aot 1 141 1 . . 1 1 24 24 PHE HB3 H . . . 1 1 24 24 PHE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 24 PHE HB3 . . F . 24 PHE HA . fSH2 . 24 . HB1 . . . fSH2 . 24 . HA* . . rr_1aot 1 142 1 . . 1 1 24 24 PHE HB2 H . . . 1 1 24 24 PHE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 24 PHE HB2 . . F . 24 PHE HA . fSH2 . 24 . HB2 . . . fSH2 . 24 . HA* . . rr_1aot 1 143 1 . . 1 1 24 24 PHE QD H . . . 1 1 24 24 PHE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 24 PHE QD . . F . 24 PHE HA . fSH2 . 24 . HD* . . . fSH2 . 24 . HA* . . rr_1aot 1 144 1 . . 1 1 25 25 GLY HA3 H . . . 1 1 25 25 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 25 GLY HA3 . . F . 25 GLY H . fSH2 . 25 . HA1* . . . fSH2 . 25 . HN* . . rr_1aot 1 145 1 . . 1 1 25 25 GLY H H . . . 1 1 25 25 GLY HA2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 25 GLY H . . F . 25 GLY HA2 . fSH2 . 25 . HN* . . . fSH2 . 25 . HA2* . . rr_1aot 1 146 1 OR . 1 1 26 26 ASN H H . . . 1 1 26 26 ASN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 26 ASN H . . F . 26 ASN HB2 . fSH2 . 26 . HN . . . fSH2 . 26 . HB* . . rr_1aot 1 146 2 OR . 1 1 26 26 ASN H H . . . 1 1 26 26 ASN HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 26 ASN H . . F . 26 ASN HB3 . fSH2 . 26 . HN . . . fSH2 . 26 . HB* . . rr_1aot 1 147 1 . . 1 1 26 26 ASN H H . . . 1 1 26 26 ASN HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 26 ASN H . . F . 26 ASN HA . fSH2 . 26 . HN* . . . fSH2 . 26 . HA . . rr_1aot 1 148 1 . . 1 1 28 28 ARG HA H . . . 1 1 28 28 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 28 ARG HA . . F . 28 ARG H . fSH2 . 28 . HA . . . fSH2 . 28 . HN* . . rr_1aot 1 149 1 OR . 1 1 28 28 ARG HB3 H . . . 1 1 28 28 ARG H H . . . . . 0.0 -1.8 2.7 . . . . . F . 28 ARG HB3 . . F . 28 ARG H . fSH2 . 28 . HB* . . . fSH2 . 28 . HN* . . rr_1aot 1 149 2 OR . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 28 ARG H . . F . 28 ARG HB2 . fSH2 . 28 . HN* . . . fSH2 . 28 . HB* . . rr_1aot 1 150 1 . . 1 1 29 29 GLY HA3 H . . . 1 1 29 29 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 29 GLY HA3 . . F . 29 GLY H . fSH2 . 29 . HA1 . . . fSH2 . 29 . HN* . . rr_1aot 1 151 1 . . 1 1 29 29 GLY HA2 H . . . 1 1 29 29 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 29 GLY HA2 . . F . 29 GLY H . fSH2 . 29 . HA2 . . . fSH2 . 29 . HN* . . rr_1aot 1 152 1 . . 1 1 30 30 THR H H . . . 1 1 30 30 THR HG1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 30 THR H . . F . 30 THR HG1 . fSH2 . 30 . HN . . . fSH2 . 30 . HG1 . . rr_1aot 1 153 1 . . 1 1 30 30 THR H H . . . 1 1 30 30 THR HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 30 THR HA . fSH2 . 30 . HN* . . . fSH2 . 30 . HA . . rr_1aot 1 154 1 . . 1 1 30 30 THR H H . . . 1 1 30 30 THR HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 30 THR HB . fSH2 . 30 . HN . . . fSH2 . 30 . HB* . . rr_1aot 1 155 1 . . 1 1 30 30 THR H H . . . 1 1 30 30 THR MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 30 THR MG . fSH2 . 30 . HN . . . fSH2 . 30 . HG2* . . rr_1aot 1 156 1 . . 1 1 30 30 THR HG1 H . . . 1 1 30 30 THR MG H . . . . . 0.0 -1.8 2.7 . . . . . F . 30 THR HG1 . . F . 30 THR MG . fSH2 . 30 . HG1 . . . fSH2 . 30 . HG2* . . rr_1aot 1 157 1 . . 1 1 31 31 PHE HB3 H . . . 1 1 31 31 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 31 PHE HB3 . . F . 31 PHE H . fSH2 . 31 . HB1* . . . fSH2 . 31 . HN* . . rr_1aot 1 158 1 . . 1 1 31 31 PHE HB2 H . . . 1 1 31 31 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 31 PHE HB2 . . F . 31 PHE H . fSH2 . 31 . HB2* . . . fSH2 . 31 . HN* . . rr_1aot 1 159 1 . . 1 1 31 31 PHE QD H . . . 1 1 31 31 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 31 PHE QD . . F . 31 PHE H . fSH2 . 31 . HD* . . . fSH2 . 31 . HN* . . rr_1aot 1 160 1 . . 1 1 31 31 PHE H H . . . 1 1 31 31 PHE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 31 PHE H . . F . 31 PHE HA . fSH2 . 31 . HN* . . . fSH2 . 31 . HA* . . rr_1aot 1 161 1 . . 1 1 32 32 LEU HA H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 32 LEU HA . . F . 32 LEU H . fSH2 . 32 . HA* . . . fSH2 . 32 . HN* . . rr_1aot 1 162 1 OR . 1 1 32 32 LEU HB3 H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 32 LEU HB3 . . F . 32 LEU H . fSH2 . 32 . HB* . . . fSH2 . 32 . HN* . . rr_1aot 1 162 2 OR . 1 1 32 32 LEU H H . . . 1 1 32 32 LEU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 32 LEU H . . F . 32 LEU HB2 . fSH2 . 32 . HN* . . . fSH2 . 32 . HB* . . rr_1aot 1 163 1 . . 1 1 32 32 LEU MD1 H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 32 LEU MD1 . . F . 32 LEU H . fSH2 . 32 . HD1* . . . fSH2 . 32 . HN* . . rr_1aot 1 164 1 . . 1 1 32 32 LEU MD2 H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 32 LEU MD2 . . F . 32 LEU H . fSH2 . 32 . HD2* . . . fSH2 . 32 . HN* . . rr_1aot 1 165 1 . . 1 1 33 33 ILE H H . . . 1 1 33 33 ILE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE H . . F . 33 ILE HA . fSH2 . 33 . HN* . . . fSH2 . 33 . HA* . . rr_1aot 1 166 1 . . 1 1 33 33 ILE HB H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 33 ILE HB . . F . 33 ILE H . fSH2 . 33 . HB* . . . fSH2 . 33 . HN* . . rr_1aot 1 167 1 OR . 1 1 33 33 ILE HG13 H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 33 ILE HG13 . . F . 33 ILE H . fSH2 . 33 . HG1* . . . fSH2 . 33 . HN* . . rr_1aot 1 167 2 OR . 1 1 33 33 ILE H H . . . 1 1 33 33 ILE HG12 H . . . . . 0.0 -1.8 3.5 . . . . . F . 33 ILE H . . F . 33 ILE HG12 . fSH2 . 33 . HN* . . . fSH2 . 33 . HG1* . . rr_1aot 1 168 1 . . 1 1 33 33 ILE MG H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE MG . . F . 33 ILE H . fSH2 . 33 . HG2* . . . fSH2 . 33 . HN* . . rr_1aot 1 169 1 . . 1 1 33 33 ILE MD H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE MD . . F . 33 ILE H . fSH2 . 33 . HD1* . . . fSH2 . 33 . HN* . . rr_1aot 1 170 1 . . 1 1 34 34 ARG HA H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 34 ARG HA . . F . 34 ARG H . fSH2 . 34 . HA* . . . fSH2 . 34 . HN* . . rr_1aot 1 171 1 . . 1 1 35 35 GLU H H . . . 1 1 35 35 GLU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 35 GLU H . . F . 35 GLU HA . fSH2 . 35 . HN* . . . fSH2 . 35 . HA* . . rr_1aot 1 172 1 OR . 1 1 35 35 GLU HG3 H . . . 1 1 35 35 GLU H H . . . . . 0.0 -1.8 2.7 . . . . . F . 35 GLU HG3 . . F . 35 GLU H . fSH2 . 35 . HG* . . . fSH2 . 35 . HN* . . rr_1aot 1 172 2 OR . 1 1 35 35 GLU H H . . . 1 1 35 35 GLU HG2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 35 GLU H . . F . 35 GLU HG2 . fSH2 . 35 . HN* . . . fSH2 . 35 . HG* . . rr_1aot 1 173 1 . . 1 1 35 35 GLU H H . . . 1 1 35 35 GLU HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 35 GLU H . . F . 35 GLU HB3 . fSH2 . 35 . HN* . . . fSH2 . 35 . HB1* . . rr_1aot 1 174 1 . . 1 1 35 35 GLU H H . . . 1 1 35 35 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 35 GLU H . . F . 35 GLU HB2 . fSH2 . 35 . HN* . . . fSH2 . 35 . HB2* . . rr_1aot 1 175 1 . . 1 1 36 36 SER HA H . . . 1 1 36 36 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 36 SER HA . . F . 36 SER H . fSH2 . 36 . HA* . . . fSH2 . 36 . HN* . . rr_1aot 1 176 1 . . 1 1 36 36 SER H H . . . 1 1 36 36 SER HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 36 SER H . . F . 36 SER HB2 . fSH2 . 36 . HN* . . . fSH2 . 36 . HB2* . . rr_1aot 1 177 1 . . 1 1 36 36 SER H H . . . 1 1 36 36 SER HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 36 SER H . . F . 36 SER HB3 . fSH2 . 36 . HN* . . . fSH2 . 36 . HB1* . . rr_1aot 1 178 1 . . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 37 GLU H . . F . 37 GLU HA . fSH2 . 37 . HN* . . . fSH2 . 37 . HA* . . rr_1aot 1 179 1 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 37 GLU H . . F . 37 GLU HG2 . fSH2 . 37 . HN* . . . fSH2 . 37 . HG* . . rr_1aot 1 179 2 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 37 GLU H . . F . 37 GLU HG3 . fSH2 . 37 . HN* . . . fSH2 . 37 . HG* . . rr_1aot 1 180 1 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 37 GLU H . . F . 37 GLU HB2 . fSH2 . 37 . HN* . . . fSH2 . 37 . HB* . . rr_1aot 1 180 2 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 37 GLU H . . F . 37 GLU HB3 . fSH2 . 37 . HN* . . . fSH2 . 37 . HB* . . rr_1aot 1 181 1 . . 1 1 38 38 THR H H . . . 1 1 38 38 THR HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 38 THR H . . F . 38 THR HA . fSH2 . 38 . HN* . . . fSH2 . 38 . HA* . . rr_1aot 1 182 1 . . 1 1 38 38 THR HB H . . . 1 1 38 38 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 38 THR HB . . F . 38 THR H . fSH2 . 38 . HB* . . . fSH2 . 38 . HN* . . rr_1aot 1 183 1 . . 1 1 38 38 THR MG H . . . 1 1 38 38 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 38 THR MG . . F . 38 THR H . fSH2 . 38 . HG2* . . . fSH2 . 38 . HN* . . rr_1aot 1 184 1 . . 1 1 39 39 THR HA H . . . 1 1 39 39 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 39 THR HA . . F . 39 THR H . fSH2 . 39 . HA* . . . fSH2 . 39 . HN* . . rr_1aot 1 185 1 . . 1 1 39 39 THR H H . . . 1 1 39 39 THR HB H . . . . . 0.0 -1.8 2.7 . . . . . F . 39 THR H . . F . 39 THR HB . fSH2 . 39 . HN* . . . fSH2 . 39 . HB* . . rr_1aot 1 186 1 . . 1 1 39 39 THR H H . . . 1 1 39 39 THR MG H . . . . . 0.0 -1.8 3.5 . . . . . F . 39 THR H . . F . 39 THR MG . fSH2 . 39 . HN* . . . fSH2 . 39 . HG2* . . rr_1aot 1 187 1 . . 1 1 40 40 LYS HA H . . . 1 1 40 40 LYS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 40 LYS HA . . F . 40 LYS H . fSH2 . 40 . HA* . . . fSH2 . 40 . HN* . . rr_1aot 1 188 1 OR . 1 1 40 40 LYS HB3 H . . . 1 1 40 40 LYS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 40 LYS HB3 . . F . 40 LYS H . fSH2 . 40 . HB* . . . fSH2 . 40 . HN* . . rr_1aot 1 188 2 OR . 1 1 40 40 LYS H H . . . 1 1 40 40 LYS HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 40 LYS H . . F . 40 LYS HB2 . fSH2 . 40 . HN* . . . fSH2 . 40 . HB* . . rr_1aot 1 189 1 OR . 1 1 40 40 LYS HG3 H . . . 1 1 40 40 LYS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 40 LYS HG3 . . F . 40 LYS H . fSH2 . 40 . HG* . . . fSH2 . 40 . HN* . . rr_1aot 1 189 2 OR . 1 1 40 40 LYS H H . . . 1 1 40 40 LYS HG2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 40 LYS H . . F . 40 LYS HG2 . fSH2 . 40 . HN* . . . fSH2 . 40 . HG* . . rr_1aot 1 190 1 . . 1 1 41 41 GLY HA2 H . . . 1 1 41 41 GLY H H . . . . . 0.0 -1.8 2.7 . . . . . F . 41 GLY HA2 . . F . 41 GLY H . fSH2 . 41 . HA2* . . . fSH2 . 41 . HN* . . rr_1aot 1 191 1 . . 1 1 42 42 ALA HA H . . . 1 1 42 42 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 42 ALA HA . . F . 42 ALA H . fSH2 . 42 . HA* . . . fSH2 . 42 . HN* . . rr_1aot 1 192 1 . . 1 1 42 42 ALA MB H . . . 1 1 42 42 ALA H H . . . . . 0.0 -1.8 2.7 . . . . . F . 42 ALA MB . . F . 42 ALA H . fSH2 . 42 . HB* . . . fSH2 . 42 . HN* . . rr_1aot 1 193 1 . . 1 1 43 43 TYR HA H . . . 1 1 43 43 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 43 TYR HA . . F . 43 TYR H . fSH2 . 43 . HA . . . fSH2 . 43 . HN . . rr_1aot 1 194 1 . . 1 1 43 43 TYR H H . . . 1 1 43 43 TYR HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 43 TYR H . . F . 43 TYR HB3 . fSH2 . 43 . HN . . . fSH2 . 43 . HB1 . . rr_1aot 1 195 1 . . 1 1 43 43 TYR H H . . . 1 1 43 43 TYR HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR H . . F . 43 TYR HB2 . fSH2 . 43 . HN . . . fSH2 . 43 . HB2 . . rr_1aot 1 196 1 . . 1 1 44 44 SER HA H . . . 1 1 44 44 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 44 SER HA . . F . 44 SER H . fSH2 . 44 . HA . . . fSH2 . 44 . HN . . rr_1aot 1 197 1 . . 1 1 44 44 SER HB3 H . . . 1 1 44 44 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER HB3 . . F . 44 SER H . fSH2 . 44 . HB1 . . . fSH2 . 44 . HN . . rr_1aot 1 198 1 . . 1 1 44 44 SER HB2 H . . . 1 1 44 44 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER HB2 . . F . 44 SER H . fSH2 . 44 . HB2 . . . fSH2 . 44 . HN . . rr_1aot 1 199 1 . . 1 1 45 45 LEU H H . . . 1 1 45 45 LEU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU H . . F . 45 LEU HA . fSH2 . 45 . HN . . . fSH2 . 45 . HA* . . rr_1aot 1 200 1 OR . 1 1 45 45 LEU H H . . . 1 1 45 45 LEU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 45 LEU H . . F . 45 LEU HB2 . fSH2 . 45 . HN . . . fSH2 . 45 . HB* . . rr_1aot 1 200 2 OR . 1 1 45 45 LEU H H . . . 1 1 45 45 LEU HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 45 LEU H . . F . 45 LEU HB3 . fSH2 . 45 . HN . . . fSH2 . 45 . HB* . . rr_1aot 1 201 1 . . 1 1 45 45 LEU H H . . . 1 1 45 45 LEU HG H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU H . . F . 45 LEU HG . fSH2 . 45 . HN . . . fSH2 . 45 . HG . . rr_1aot 1 202 1 . . 1 1 46 46 SER HA H . . . 1 1 46 46 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 46 SER HA . . F . 46 SER H . fSH2 . 46 . HA . . . fSH2 . 46 . HN . . rr_1aot 1 203 1 . . 1 1 46 46 SER H H . . . 1 1 46 46 SER HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 46 SER H . . F . 46 SER HB3 . fSH2 . 46 . HN . . . fSH2 . 46 . HB1 . . rr_1aot 1 204 1 . . 1 1 46 46 SER H H . . . 1 1 46 46 SER HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 46 SER H . . F . 46 SER HB2 . fSH2 . 46 . HN . . . fSH2 . 46 . HB2 . . rr_1aot 1 205 1 . . 1 1 47 47 ILE HA H . . . 1 1 47 47 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 47 ILE HA . . F . 47 ILE H . fSH2 . 47 . HA . . . fSH2 . 47 . HN . . rr_1aot 1 206 1 . . 1 1 47 47 ILE H H . . . 1 1 47 47 ILE HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE H . . F . 47 ILE HB . fSH2 . 47 . HN . . . fSH2 . 47 . HB* . . rr_1aot 1 207 1 . . 1 1 47 47 ILE H H . . . 1 1 47 47 ILE MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE H . . F . 47 ILE MG . fSH2 . 47 . HN . . . fSH2 . 47 . HG2* . . rr_1aot 1 208 1 . . 1 1 47 47 ILE H H . . . 1 1 47 47 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE H . . F . 47 ILE MD . fSH2 . 47 . HN . . . fSH2 . 47 . HD1* . . rr_1aot 1 209 1 . . 1 1 48 48 ARG HA H . . . 1 1 48 48 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 48 ARG HA . . F . 48 ARG H . fSH2 . 48 . HA . . . fSH2 . 48 . HN . . rr_1aot 1 210 1 OR . 1 1 48 48 ARG H H . . . 1 1 48 48 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG H . . F . 48 ARG HD2 . fSH2 . 48 . HN . . . fSH2 . 48 . HD* . . rr_1aot 1 210 2 OR . 1 1 48 48 ARG H H . . . 1 1 48 48 ARG HD3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG H . . F . 48 ARG HD3 . fSH2 . 48 . HN . . . fSH2 . 48 . HD* . . rr_1aot 1 211 1 . . 1 1 49 49 ASP HA H . . . 1 1 49 49 ASP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 49 ASP HA . . F . 49 ASP H . fSH2 . 49 . HA . . . fSH2 . 49 . HN . . rr_1aot 1 212 1 . . 1 1 49 49 ASP H H . . . 1 1 49 49 ASP HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 49 ASP H . . F . 49 ASP HB3 . fSH2 . 49 . HN . . . fSH2 . 49 . HB1 . . rr_1aot 1 213 1 . . 1 1 50 50 TRP HD1 H . . . 1 1 50 50 TRP HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 50 TRP HD1 . . F . 50 TRP HB2 . fSH2 . 50 . HD1 . . . fSH2 . 50 . HB2 . . rr_1aot 1 214 1 . . 1 1 50 50 TRP HA H . . . 1 1 50 50 TRP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 50 TRP HA . . F . 50 TRP H . fSH2 . 50 . HA . . . fSH2 . 50 . HN . . rr_1aot 1 215 1 . . 1 1 50 50 TRP HD1 H . . . 1 1 50 50 TRP HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 50 TRP HD1 . . F . 50 TRP HA . fSH2 . 50 . HD1 . . . fSH2 . 50 . HA . . rr_1aot 1 216 1 . . 1 1 50 50 TRP HA H . . . 1 1 50 50 TRP HE3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HA . . F . 50 TRP HE3 . fSH2 . 50 . HA . . . fSH2 . 50 . HE3 . . rr_1aot 1 217 1 . . 1 1 50 50 TRP H H . . . 1 1 50 50 TRP HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 50 TRP H . . F . 50 TRP HB3 . fSH2 . 50 . HN . . . fSH2 . 50 . HB1 . . rr_1aot 1 218 1 . . 1 1 50 50 TRP HB2 H . . . 1 1 50 50 TRP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 50 TRP HB2 . . F . 50 TRP H . fSH2 . 50 . HB2 . . . fSH2 . 50 . HN . . rr_1aot 1 219 1 . . 1 1 50 50 TRP HE3 H . . . 1 1 50 50 TRP HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HE3 . . F . 50 TRP HB3 . fSH2 . 50 . HE3 . . . fSH2 . 50 . HB1 . . rr_1aot 1 220 1 . . 1 1 50 50 TRP HB2 H . . . 1 1 50 50 TRP HE3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HB2 . . F . 50 TRP HE3 . fSH2 . 50 . HB2 . . . fSH2 . 50 . HE3 . . rr_1aot 1 221 1 . . 1 1 51 51 ASP HA H . . . 1 1 51 51 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 51 ASP HA . . F . 51 ASP H . fSH2 . 51 . HA . . . fSH2 . 51 . HN . . rr_1aot 1 222 1 . . 1 1 53 53 MET HA H . . . 1 1 53 53 MET H H . . . . . 0.0 -1.8 2.7 . . . . . F . 53 MET HA . . F . 53 MET H . fSH2 . 53 . HA . . . fSH2 . 53 . HN . . rr_1aot 1 223 1 . . 1 1 53 53 MET H H . . . 1 1 53 53 MET HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET H . . F . 53 MET HB3 . fSH2 . 53 . HN . . . fSH2 . 53 . HB1 . . rr_1aot 1 224 1 . . 1 1 53 53 MET H H . . . 1 1 53 53 MET HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET H . . F . 53 MET HB2 . fSH2 . 53 . HN . . . fSH2 . 53 . HB2 . . rr_1aot 1 225 1 . . 1 1 53 53 MET H H . . . 1 1 53 53 MET ME H . . . . . 0.0 -1.8 2.7 . . . . . F . 53 MET H . . F . 53 MET ME . fSH2 . 53 . HN . . . fSH2 . 53 . HE* . . rr_1aot 1 226 1 . . 1 1 53 53 MET HA H . . . 1 1 53 53 MET ME H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET HA . . F . 53 MET ME . fSH2 . 53 . HA . . . fSH2 . 53 . HE* . . rr_1aot 1 227 1 . . 1 1 53 53 MET HB3 H . . . 1 1 53 53 MET ME H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET HB3 . . F . 53 MET ME . fSH2 . 53 . HB1 . . . fSH2 . 53 . HE* . . rr_1aot 1 228 1 . . 1 1 53 53 MET HB2 H . . . 1 1 53 53 MET ME H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET HB2 . . F . 53 MET ME . fSH2 . 53 . HB2 . . . fSH2 . 53 . HE* . . rr_1aot 1 229 1 OR . 1 1 53 53 MET H H . . . 1 1 53 53 MET HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 53 MET H . . F . 53 MET HG2 . fSH2 . 53 . HN . . . fSH2 . 53 . HG* . . rr_1aot 1 229 2 OR . 1 1 53 53 MET H H . . . 1 1 53 53 MET HG3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 53 MET H . . F . 53 MET HG3 . fSH2 . 53 . HN . . . fSH2 . 53 . HG* . . rr_1aot 1 230 1 . . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 54 LYS H . . F . 54 LYS HA . fSH2 . 54 . HN* . . . fSH2 . 54 . HA* . . rr_1aot 1 231 1 OR . 1 1 54 54 LYS HG3 H . . . 1 1 54 54 LYS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 54 LYS HG3 . . F . 54 LYS H . fSH2 . 54 . HG* . . . fSH2 . 54 . HN* . . rr_1aot 1 231 2 OR . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HG2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 54 LYS H . . F . 54 LYS HG2 . fSH2 . 54 . HN* . . . fSH2 . 54 . HG* . . rr_1aot 1 232 1 . . 1 1 55 55 GLY HA3 H . . . 1 1 55 55 GLY H H . . . . . 0.0 -1.8 2.7 . . . . . F . 55 GLY HA3 . . F . 55 GLY H . fSH2 . 55 . HA1 . . . fSH2 . 55 . HN . . rr_1aot 1 233 1 . . 1 1 55 55 GLY H H . . . 1 1 55 55 GLY HA2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 55 GLY H . . F . 55 GLY HA2 . fSH2 . 55 . HN . . . fSH2 . 55 . HA2 . . rr_1aot 1 234 1 . . 1 1 56 56 ASP HA H . . . 1 1 56 56 ASP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 56 ASP HA . . F . 56 ASP H . fSH2 . 56 . HA . . . fSH2 . 56 . HN . . rr_1aot 1 235 1 . . 1 1 56 56 ASP H H . . . 1 1 56 56 ASP HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 56 ASP H . . F . 56 ASP HB3 . fSH2 . 56 . HN . . . fSH2 . 56 . HB1 . . rr_1aot 1 236 1 . . 1 1 56 56 ASP H H . . . 1 1 56 56 ASP HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 56 ASP H . . F . 56 ASP HB2 . fSH2 . 56 . HN . . . fSH2 . 56 . HB2 . . rr_1aot 1 237 1 . . 1 1 57 57 HIS HA H . . . 1 1 57 57 HIS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 57 HIS HA . . F . 57 HIS H . fSH2 . 57 . HA . . . fSH2 . 57 . HN . . rr_1aot 1 238 1 . . 1 1 57 57 HIS HA H . . . 1 1 57 57 HIS HD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 57 HIS HA . . F . 57 HIS HD2 . fSH2 . 57 . HA . . . fSH2 . 57 . HD2 . . rr_1aot 1 239 1 . . 1 1 57 57 HIS H H . . . 1 1 57 57 HIS HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 57 HIS H . . F . 57 HIS HB3 . fSH2 . 57 . HN . . . fSH2 . 57 . HB1 . . rr_1aot 1 240 1 . . 1 1 57 57 HIS HD2 H . . . 1 1 57 57 HIS HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 57 HIS HD2 . . F . 57 HIS HB3 . fSH2 . 57 . HD2 . . . fSH2 . 57 . HB1 . . rr_1aot 1 241 1 . . 1 1 57 57 HIS H H . . . 1 1 57 57 HIS HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 57 HIS H . . F . 57 HIS HB2 . fSH2 . 57 . HN . . . fSH2 . 57 . HB2 . . rr_1aot 1 242 1 . . 1 1 57 57 HIS HD2 H . . . 1 1 57 57 HIS HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 57 HIS HD2 . . F . 57 HIS HB2 . fSH2 . 57 . HD2 . . . fSH2 . 57 . HB2 . . rr_1aot 1 243 1 . . 1 1 58 58 VAL HA H . . . 1 1 58 58 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL HA . . F . 58 VAL H . fSH2 . 58 . HA . . . fSH2 . 58 . HN . . rr_1aot 1 244 1 . . 1 1 58 58 VAL H H . . . 1 1 58 58 VAL MG1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 58 VAL H . . F . 58 VAL MG1 . fSH2 . 58 . HN . . . fSH2 . 58 . HG1* . . rr_1aot 1 245 1 . . 1 1 58 58 VAL H H . . . 1 1 58 58 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL H . . F . 58 VAL MG2 . fSH2 . 58 . HN . . . fSH2 . 58 . HG2* . . rr_1aot 1 246 1 . . 1 1 59 59 LYS H H . . . 1 1 59 59 LYS HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 59 LYS H . . F . 59 LYS HA . fSH2 . 59 . HN* . . . fSH2 . 59 . HA* . . rr_1aot 1 247 1 . . 1 1 60 60 HIS H H . . . 1 1 60 60 HIS HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS H . . F . 60 HIS HD2 . fSH2 . 60 . HN . . . fSH2 . 60 . HD2 . . rr_1aot 1 248 1 . . 1 1 60 60 HIS H H . . . 1 1 60 60 HIS HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 60 HIS H . . F . 60 HIS HA . fSH2 . 60 . HN . . . fSH2 . 60 . HA . . rr_1aot 1 249 1 . . 1 1 60 60 HIS HD2 H . . . 1 1 60 60 HIS HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS HD2 . . F . 60 HIS HA . fSH2 . 60 . HD2 . . . fSH2 . 60 . HA . . rr_1aot 1 250 1 . . 1 1 60 60 HIS HB3 H . . . 1 1 60 60 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS HB3 . . F . 60 HIS H . fSH2 . 60 . HB1 . . . fSH2 . 60 . HN . . rr_1aot 1 251 1 . . 1 1 60 60 HIS HB2 H . . . 1 1 60 60 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS HB2 . . F . 60 HIS H . fSH2 . 60 . HB2 . . . fSH2 . 60 . HN . . rr_1aot 1 252 1 . . 1 1 61 61 TYR HA H . . . 1 1 61 61 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 61 TYR HA . . F . 61 TYR H . fSH2 . 61 . HA . . . fSH2 . 61 . HN . . rr_1aot 1 253 1 . . 1 1 61 61 TYR HA H . . . 1 1 61 61 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . F . 61 TYR HA . . F . 61 TYR QD . fSH2 . 61 . HA . . . fSH2 . 61 . HD* . . rr_1aot 1 254 1 OR . 1 1 61 61 TYR H H . . . 1 1 61 61 TYR HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 61 TYR H . . F . 61 TYR HB2 . fSH2 . 61 . HN . . . fSH2 . 61 . HB* . . rr_1aot 1 254 2 OR . 1 1 61 61 TYR H H . . . 1 1 61 61 TYR HB3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 61 TYR H . . F . 61 TYR HB3 . fSH2 . 61 . HN . . . fSH2 . 61 . HB* . . rr_1aot 1 255 1 . . 1 1 62 62 LYS H H . . . 1 1 62 62 LYS HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 62 LYS H . . F . 62 LYS HA . fSH2 . 62 . HN . . . fSH2 . 62 . HA . . rr_1aot 1 256 1 . . 1 1 62 62 LYS H H . . . 1 1 62 62 LYS HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 62 LYS H . . F . 62 LYS HB3 . fSH2 . 62 . HN . . . fSH2 . 62 . HB1 . . rr_1aot 1 257 1 . . 1 1 62 62 LYS HB2 H . . . 1 1 62 62 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 62 LYS HB2 . . F . 62 LYS H . fSH2 . 62 . HB2 . . . fSH2 . 62 . HN . . rr_1aot 1 258 1 OR . 1 1 62 62 LYS H H . . . 1 1 62 62 LYS HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 62 LYS H . . F . 62 LYS HG2 . fSH2 . 62 . HN . . . fSH2 . 62 . HG* . . rr_1aot 1 258 2 OR . 1 1 62 62 LYS HG3 H . . . 1 1 62 62 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 62 LYS HG3 . . F . 62 LYS H . fSH2 . 62 . HG* . . . fSH2 . 62 . HN . . rr_1aot 1 259 1 . . 1 1 63 63 ILE HB H . . . 1 1 63 63 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 63 ILE HB . . F . 63 ILE H . fSH2 . 63 . HB* . . . fSH2 . 63 . HN . . rr_1aot 1 260 1 . . 1 1 63 63 ILE H H . . . 1 1 63 63 ILE HG13 H . . . . . 0.0 -1.8 5.0 . . . . . F . 63 ILE H . . F . 63 ILE HG13 . fSH2 . 63 . HN . . . fSH2 . 63 . HG11 . . rr_1aot 1 261 1 . . 1 1 63 63 ILE H H . . . 1 1 63 63 ILE HG12 H . . . . . 0.0 -1.8 5.0 . . . . . F . 63 ILE H . . F . 63 ILE HG12 . fSH2 . 63 . HN . . . fSH2 . 63 . HG12 . . rr_1aot 1 262 1 . . 1 1 63 63 ILE H H . . . 1 1 63 63 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 63 ILE H . . F . 63 ILE MD . fSH2 . 63 . HN . . . fSH2 . 63 . HD1* . . rr_1aot 1 263 1 . . 1 1 63 63 ILE H H . . . 1 1 63 63 ILE HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 63 ILE H . . F . 63 ILE HA . fSH2 . 63 . HN . . . fSH2 . 63 . HA . . rr_1aot 1 264 1 . . 1 1 63 63 ILE HA H . . . 1 1 63 63 ILE MG H . . . . . 0.0 -1.8 3.5 . . . . . F . 63 ILE HA . . F . 63 ILE MG . fSH2 . 63 . HA . . . fSH2 . 63 . HG2* . . rr_1aot 1 265 1 . . 1 1 63 63 ILE MD H . . . 1 1 63 63 ILE HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 63 ILE MD . . F . 63 ILE HA . fSH2 . 63 . HD1* . . . fSH2 . 63 . HA . . rr_1aot 1 266 1 . . 1 1 63 63 ILE H H . . . 1 1 63 63 ILE MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 63 ILE H . . F . 63 ILE MG . fSH2 . 63 . HN . . . fSH2 . 63 . HG2* . . rr_1aot 1 267 1 . . 1 1 64 64 ARG HA H . . . 1 1 64 64 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 64 ARG HA . . F . 64 ARG H . fSH2 . 64 . HA . . . fSH2 . 64 . HN . . rr_1aot 1 268 1 OR . 1 1 64 64 ARG H H . . . 1 1 64 64 ARG HD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 64 ARG H . . F . 64 ARG HD2 . fSH2 . 64 . HN . . . fSH2 . 64 . HD* . . rr_1aot 1 268 2 OR . 1 1 64 64 ARG H H . . . 1 1 64 64 ARG HD3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 64 ARG H . . F . 64 ARG HD3 . fSH2 . 64 . HN . . . fSH2 . 64 . HD* . . rr_1aot 1 269 1 . . 1 1 65 65 LYS HA H . . . 1 1 65 65 LYS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 65 LYS HA . . F . 65 LYS H . fSH2 . 65 . HA . . . fSH2 . 65 . HN . . rr_1aot 1 270 1 . . 1 1 65 65 LYS H H . . . 1 1 65 65 LYS HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 65 LYS H . . F . 65 LYS HG3 . fSH2 . 65 . HN . . . fSH2 . 65 . HG1 . . rr_1aot 1 271 1 . . 1 1 65 65 LYS H H . . . 1 1 65 65 LYS HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 65 LYS H . . F . 65 LYS HG2 . fSH2 . 65 . HN . . . fSH2 . 65 . HG2 . . rr_1aot 1 272 1 . . 1 1 66 66 LEU HA H . . . 1 1 66 66 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 66 LEU HA . . F . 66 LEU H . fSH2 . 66 . HA . . . fSH2 . 66 . HN . . rr_1aot 1 273 1 OR . 1 1 66 66 LEU H H . . . 1 1 66 66 LEU HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 66 LEU H . . F . 66 LEU HB2 . fSH2 . 66 . HN . . . fSH2 . 66 . HB* . . rr_1aot 1 273 2 OR . 1 1 66 66 LEU H H . . . 1 1 66 66 LEU HB3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 66 LEU H . . F . 66 LEU HB3 . fSH2 . 66 . HN . . . fSH2 . 66 . HB* . . rr_1aot 1 274 1 . . 1 1 66 66 LEU H H . . . 1 1 66 66 LEU HG H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU H . . F . 66 LEU HG . fSH2 . 66 . HN . . . fSH2 . 66 . HG . . rr_1aot 1 275 1 . . 1 1 66 66 LEU H H . . . 1 1 66 66 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 66 LEU H . . F . 66 LEU MD1 . fSH2 . 66 . HN . . . fSH2 . 66 . HD1* . . rr_1aot 1 276 1 . . 1 1 66 66 LEU H H . . . 1 1 66 66 LEU MD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 66 LEU H . . F . 66 LEU MD2 . fSH2 . 66 . HN . . . fSH2 . 66 . HD2* . . rr_1aot 1 277 1 . . 1 1 67 67 ASP HA H . . . 1 1 67 67 ASP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 67 ASP HA . . F . 67 ASP H . fSH2 . 67 . HA . . . fSH2 . 67 . HN . . rr_1aot 1 278 1 . . 1 1 67 67 ASP H H . . . 1 1 67 67 ASP HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 67 ASP H . . F . 67 ASP HB3 . fSH2 . 67 . HN . . . fSH2 . 67 . HB1 . . rr_1aot 1 279 1 . . 1 1 67 67 ASP H H . . . 1 1 67 67 ASP HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 67 ASP H . . F . 67 ASP HB2 . fSH2 . 67 . HN . . . fSH2 . 67 . HB2 . . rr_1aot 1 280 1 . . 1 1 68 68 ASN H H . . . 1 1 68 68 ASN HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 68 ASN H . . F . 68 ASN HA . fSH2 . 68 . HN . . . fSH2 . 68 . HA* . . rr_1aot 1 281 1 OR . 1 1 68 68 ASN H H . . . 1 1 68 68 ASN HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 68 ASN H . . F . 68 ASN HB2 . fSH2 . 68 . HN . . . fSH2 . 68 . HB* . . rr_1aot 1 281 2 OR . 1 1 68 68 ASN H H . . . 1 1 68 68 ASN HB3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 68 ASN H . . F . 68 ASN HB3 . fSH2 . 68 . HN . . . fSH2 . 68 . HB* . . rr_1aot 1 282 1 . . 1 1 69 69 GLY HA3 H . . . 1 1 69 69 GLY H H . . . . . 0.0 -1.8 2.7 . . . . . F . 69 GLY HA3 . . F . 69 GLY H . fSH2 . 69 . HA1 . . . fSH2 . 69 . HN . . rr_1aot 1 283 1 . . 1 1 70 70 GLY HA3 H . . . 1 1 70 70 GLY H H . . . . . 0.0 -1.8 2.7 . . . . . F . 70 GLY HA3 . . F . 70 GLY H . fSH2 . 70 . HA1 . . . fSH2 . 70 . HN . . rr_1aot 1 284 1 . . 1 1 71 71 TYR QD H . . . 1 1 71 71 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 71 TYR QD . . F . 71 TYR H . fSH2 . 71 . HD* . . . fSH2 . 71 . HN . . rr_1aot 1 285 1 . . 1 1 71 71 TYR H H . . . 1 1 71 71 TYR HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 71 TYR H . . F . 71 TYR HA . fSH2 . 71 . HN . . . fSH2 . 71 . HA . . rr_1aot 1 286 1 . . 1 1 71 71 TYR H H . . . 1 1 71 71 TYR HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 71 TYR H . . F . 71 TYR HB2 . fSH2 . 71 . HN . . . fSH2 . 71 . HB2 . . rr_1aot 1 287 1 . . 1 1 72 72 TYR QD H . . . 1 1 72 72 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 72 TYR QD . . F . 72 TYR H . fSH2 . 72 . HD* . . . fSH2 . 72 . HN . . rr_1aot 1 288 1 . . 1 1 72 72 TYR H H . . . 1 1 72 72 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR H . . F . 72 TYR QE . fSH2 . 72 . HN . . . fSH2 . 72 . HE* . . rr_1aot 1 289 1 . . 1 1 72 72 TYR H H . . . 1 1 72 72 TYR HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 72 TYR H . . F . 72 TYR HA . fSH2 . 72 . HN . . . fSH2 . 72 . HA . . rr_1aot 1 290 1 . . 1 1 72 72 TYR QD H . . . 1 1 72 72 TYR HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QD . . F . 72 TYR HA . fSH2 . 72 . HD* . . . fSH2 . 72 . HA . . rr_1aot 1 291 1 . . 1 1 72 72 TYR H H . . . 1 1 72 72 TYR HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR H . . F . 72 TYR HB2 . fSH2 . 72 . HN . . . fSH2 . 72 . HB2 . . rr_1aot 1 292 1 . . 1 1 73 73 ILE HA H . . . 1 1 73 73 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE HA . . F . 73 ILE H . fSH2 . 73 . HA . . . fSH2 . 73 . HN . . rr_1aot 1 293 1 . . 1 1 73 73 ILE H H . . . 1 1 73 73 ILE HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE H . . F . 73 ILE HB . fSH2 . 73 . HN . . . fSH2 . 73 . HB* . . rr_1aot 1 294 1 . . 1 1 73 73 ILE H H . . . 1 1 73 73 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE H . . F . 73 ILE MD . fSH2 . 73 . HN . . . fSH2 . 73 . HD1* . . rr_1aot 1 295 1 . . 1 1 73 73 ILE MG H . . . 1 1 73 73 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE MG . . F . 73 ILE H . fSH2 . 73 . HG2* . . . fSH2 . 73 . HN . . rr_1aot 1 296 1 . . 1 1 74 74 THR HA H . . . 1 1 74 74 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 74 THR HA . . F . 74 THR H . fSH2 . 74 . HA . . . fSH2 . 74 . HN . . rr_1aot 1 297 1 . . 1 1 74 74 THR H H . . . 1 1 74 74 THR HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 74 THR H . . F . 74 THR HB . fSH2 . 74 . HN . . . fSH2 . 74 . HB* . . rr_1aot 1 298 1 . . 1 1 74 74 THR MG H . . . 1 1 74 74 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 74 THR MG . . F . 74 THR H . fSH2 . 74 . HG2* . . . fSH2 . 74 . HN . . rr_1aot 1 299 1 . . 1 1 75 75 THR H H . . . 1 1 75 75 THR HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 75 THR H . . F . 75 THR HB . fSH2 . 75 . HN . . . fSH2 . 75 . HB* . . rr_1aot 1 300 1 . . 1 1 75 75 THR H H . . . 1 1 75 75 THR HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 75 THR H . . F . 75 THR HA . fSH2 . 75 . HN . . . fSH2 . 75 . HA . . rr_1aot 1 301 1 . . 1 1 75 75 THR HA H . . . 1 1 75 75 THR MG H . . . . . 0.0 -1.8 2.7 . . . . . F . 75 THR HA . . F . 75 THR MG . fSH2 . 75 . HA . . . fSH2 . 75 . HG2* . . rr_1aot 1 302 1 . . 1 1 75 75 THR MG H . . . 1 1 75 75 THR HB H . . . . . 0.0 -1.8 2.7 . . . . . F . 75 THR MG . . F . 75 THR HB . fSH2 . 75 . HG2* . . . fSH2 . 75 . HB . . rr_1aot 1 303 1 . . 1 1 76 76 ARG HA H . . . 1 1 76 76 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 76 ARG HA . . F . 76 ARG H . fSH2 . 76 . HA . . . fSH2 . 76 . HN . . rr_1aot 1 304 1 OR . 1 1 76 76 ARG H H . . . 1 1 76 76 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 76 ARG H . . F . 76 ARG HD2 . fSH2 . 76 . HN . . . fSH2 . 76 . HD* . . rr_1aot 1 304 2 OR . 1 1 76 76 ARG H H . . . 1 1 76 76 ARG HD3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 76 ARG H . . F . 76 ARG HD3 . fSH2 . 76 . HN . . . fSH2 . 76 . HD* . . rr_1aot 1 305 1 . . 1 1 77 77 ALA HA H . . . 1 1 77 77 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 77 ALA HA . . F . 77 ALA H . fSH2 . 77 . HA . . . fSH2 . 77 . HN . . rr_1aot 1 306 1 . . 1 1 77 77 ALA H H . . . 1 1 77 77 ALA MB H . . . . . 0.0 -1.8 2.7 . . . . . F . 77 ALA H . . F . 77 ALA MB . fSH2 . 77 . HN . . . fSH2 . 77 . HB* . . rr_1aot 1 307 1 . . 1 1 78 78 GLN HA H . . . 1 1 78 78 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 78 GLN HA . . F . 78 GLN H . fSH2 . 78 . HA . . . fSH2 . 78 . HN . . rr_1aot 1 308 1 . . 1 1 78 78 GLN H H . . . 1 1 78 78 GLN HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 78 GLN H . . F . 78 GLN HG2 . fSH2 . 78 . HN . . . fSH2 . 78 . HG2 . . rr_1aot 1 309 1 . . 1 1 78 78 GLN H H . . . 1 1 78 78 GLN HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 78 GLN H . . F . 78 GLN HG3 . fSH2 . 78 . HN . . . fSH2 . 78 . HG1 . . rr_1aot 1 310 1 . . 1 1 78 78 GLN H H . . . 1 1 78 78 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 78 GLN H . . F . 78 GLN HB2 . fSH2 . 78 . HN . . . fSH2 . 78 . HB2 . . rr_1aot 1 311 1 . . 1 1 78 78 GLN H H . . . 1 1 78 78 GLN HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 78 GLN H . . F . 78 GLN HB3 . fSH2 . 78 . HN . . . fSH2 . 78 . HB1 . . rr_1aot 1 312 1 . . 1 1 79 79 PHE QD H . . . 1 1 79 79 PHE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 79 PHE QD . . F . 79 PHE H . fSH2 . 79 . HD* . . . fSH2 . 79 . HN . . rr_1aot 1 313 1 . . 1 1 79 79 PHE H H . . . 1 1 79 79 PHE HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 79 PHE H . . F . 79 PHE HA . fSH2 . 79 . HN . . . fSH2 . 79 . HA . . rr_1aot 1 314 1 . . 1 1 79 79 PHE QD H . . . 1 1 79 79 PHE HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 79 PHE QD . . F . 79 PHE HA . fSH2 . 79 . HD* . . . fSH2 . 79 . HA . . rr_1aot 1 315 1 OR . 1 1 79 79 PHE H H . . . 1 1 79 79 PHE HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 79 PHE H . . F . 79 PHE HB2 . fSH2 . 79 . HN . . . fSH2 . 79 . HB* . . rr_1aot 1 315 2 OR . 1 1 79 79 PHE H H . . . 1 1 79 79 PHE HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 79 PHE H . . F . 79 PHE HB3 . fSH2 . 79 . HN . . . fSH2 . 79 . HB* . . rr_1aot 1 316 1 . . 1 1 79 79 PHE H H . . . 1 1 79 79 PHE QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 79 PHE H . . F . 79 PHE QE . fSH2 . 79 . HN . . . fSH2 . 79 . HE* . . rr_1aot 1 317 1 . . 1 1 80 80 GLU HA H . . . 1 1 80 80 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 80 GLU HA . . F . 80 GLU H . fSH2 . 80 . HA . . . fSH2 . 80 . HN . . rr_1aot 1 318 1 . . 1 1 80 80 GLU H H . . . 1 1 80 80 GLU HG3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 80 GLU H . . F . 80 GLU HG3 . fSH2 . 80 . HN . . . fSH2 . 80 . HG1* . . rr_1aot 1 319 1 . . 1 1 80 80 GLU H H . . . 1 1 80 80 GLU HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 80 GLU H . . F . 80 GLU HG2 . fSH2 . 80 . HN . . . fSH2 . 80 . HG2* . . rr_1aot 1 320 1 OR . 1 1 80 80 GLU H H . . . 1 1 80 80 GLU HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 80 GLU H . . F . 80 GLU HB2 . fSH2 . 80 . HN . . . fSH2 . 80 . HB* . . rr_1aot 1 320 2 OR . 1 1 80 80 GLU H H . . . 1 1 80 80 GLU HB3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 80 GLU H . . F . 80 GLU HB3 . fSH2 . 80 . HN . . . fSH2 . 80 . HB* . . rr_1aot 1 321 1 . . 1 1 81 81 THR HA H . . . 1 1 81 81 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HA . . F . 81 THR H . fSH2 . 81 . HA . . . fSH2 . 81 . HN . . rr_1aot 1 322 1 . . 1 1 81 81 THR H H . . . 1 1 81 81 THR HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR H . . F . 81 THR HB . fSH2 . 81 . HN . . . fSH2 . 81 . HB . . rr_1aot 1 323 1 . . 1 1 81 81 THR H H . . . 1 1 81 81 THR MG H . . . . . 0.0 -1.8 3.5 . . . . . F . 81 THR H . . F . 81 THR MG . fSH2 . 81 . HN . . . fSH2 . 81 . HG2* . . rr_1aot 1 324 1 . . 1 1 81 81 THR H H . . . 1 1 81 81 THR HG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR H . . F . 81 THR HG1 . fSH2 . 81 . HN . . . fSH2 . 81 . HG1 . . rr_1aot 1 325 1 . . 1 1 81 81 THR HA H . . . 1 1 81 81 THR HG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HA . . F . 81 THR HG1 . fSH2 . 81 . HA . . . fSH2 . 81 . HG1 . . rr_1aot 1 326 1 . . 1 1 81 81 THR MG H . . . 1 1 81 81 THR HG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR MG . . F . 81 THR HG1 . fSH2 . 81 . HG2* . . . fSH2 . 81 . HG1 . . rr_1aot 1 327 1 . . 1 1 82 82 LEU HA H . . . 1 1 82 82 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU HA . . F . 82 LEU H . fSH2 . 82 . HA . . . fSH2 . 82 . HN . . rr_1aot 1 328 1 OR . 1 1 82 82 LEU H H . . . 1 1 82 82 LEU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 82 LEU H . . F . 82 LEU HB2 . fSH2 . 82 . HN . . . fSH2 . 82 . HB* . . rr_1aot 1 328 2 OR . 1 1 82 82 LEU H H . . . 1 1 82 82 LEU HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 82 LEU H . . F . 82 LEU HB3 . fSH2 . 82 . HN . . . fSH2 . 82 . HB* . . rr_1aot 1 329 1 . . 1 1 82 82 LEU H H . . . 1 1 82 82 LEU HG H . . . . . 0.0 -1.8 3.5 . . . . . F . 82 LEU H . . F . 82 LEU HG . fSH2 . 82 . HN . . . fSH2 . 82 . HG . . rr_1aot 1 330 1 . . 1 1 82 82 LEU H H . . . 1 1 82 82 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU H . . F . 82 LEU MD1 . fSH2 . 82 . HN . . . fSH2 . 82 . HD1* . . rr_1aot 1 331 1 . . 1 1 82 82 LEU H H . . . 1 1 82 82 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU H . . F . 82 LEU MD2 . fSH2 . 82 . HN . . . fSH2 . 82 . HD2* . . rr_1aot 1 332 1 . . 1 1 83 83 GLN HA H . . . 1 1 83 83 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 83 GLN HA . . F . 83 GLN H . fSH2 . 83 . HA . . . fSH2 . 83 . HN . . rr_1aot 1 333 1 OR . 1 1 83 83 GLN H H . . . 1 1 83 83 GLN HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 83 GLN H . . F . 83 GLN HG2 . fSH2 . 83 . HN . . . fSH2 . 83 . HG* . . rr_1aot 1 333 2 OR . 1 1 83 83 GLN H H . . . 1 1 83 83 GLN HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 83 GLN H . . F . 83 GLN HG3 . fSH2 . 83 . HN . . . fSH2 . 83 . HG* . . rr_1aot 1 334 1 OR . 1 1 83 83 GLN H H . . . 1 1 83 83 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 83 GLN H . . F . 83 GLN HB2 . fSH2 . 83 . HN . . . fSH2 . 83 . HB* . . rr_1aot 1 334 2 OR . 1 1 83 83 GLN H H . . . 1 1 83 83 GLN HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 83 GLN H . . F . 83 GLN HB3 . fSH2 . 83 . HN . . . fSH2 . 83 . HB* . . rr_1aot 1 335 1 . . 1 1 84 84 GLN HE21 H . . . 1 1 84 84 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 84 GLN HE21 . . F . 84 GLN H . fSH2 . 84 . HE21 . . . fSH2 . 84 . HN . . rr_1aot 1 336 1 . . 1 1 84 84 GLN H H . . . 1 1 84 84 GLN HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 84 GLN H . . F . 84 GLN HA . fSH2 . 84 . HN . . . fSH2 . 84 . HA . . rr_1aot 1 337 1 OR . 1 1 84 84 GLN H H . . . 1 1 84 84 GLN HG3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 84 GLN H . . F . 84 GLN HG3 . fSH2 . 84 . HN . . . fSH2 . 84 . HG* . . rr_1aot 1 337 2 OR . 1 1 84 84 GLN H H . . . 1 1 84 84 GLN HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 84 GLN H . . F . 84 GLN HG2 . fSH2 . 84 . HN . . . fSH2 . 84 . HG* . . rr_1aot 1 338 1 OR . 1 1 84 84 GLN H H . . . 1 1 84 84 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 84 GLN H . . F . 84 GLN HB2 . fSH2 . 84 . HN . . . fSH2 . 84 . HB* . . rr_1aot 1 338 2 OR . 1 1 84 84 GLN H H . . . 1 1 84 84 GLN HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 84 GLN H . . F . 84 GLN HB3 . fSH2 . 84 . HN . . . fSH2 . 84 . HB* . . rr_1aot 1 339 1 . . 1 1 85 85 LEU HA H . . . 1 1 85 85 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU HA . . F . 85 LEU H . fSH2 . 85 . HA . . . fSH2 . 85 . HN . . rr_1aot 1 340 1 . . 1 1 85 85 LEU H H . . . 1 1 85 85 LEU HG H . . . . . 0.0 -1.8 3.5 . . . . . F . 85 LEU H . . F . 85 LEU HG . fSH2 . 85 . HN . . . fSH2 . 85 . HG* . . rr_1aot 1 341 1 . . 1 1 85 85 LEU H H . . . 1 1 85 85 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU H . . F . 85 LEU MD2 . fSH2 . 85 . HN . . . fSH2 . 85 . HD2* . . rr_1aot 1 342 1 . . 1 1 85 85 LEU H H . . . 1 1 85 85 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU H . . F . 85 LEU MD1 . fSH2 . 85 . HN . . . fSH2 . 85 . HD1* . . rr_1aot 1 343 1 . . 1 1 87 87 GLN HA H . . . 1 1 87 87 GLN H H . . . . . 0.0 -1.8 2.7 . . . . . F . 87 GLN HA . . F . 87 GLN H . fSH2 . 87 . HA . . . fSH2 . 87 . HN . . rr_1aot 1 344 1 OR . 1 1 87 87 GLN H H . . . 1 1 87 87 GLN HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 87 GLN H . . F . 87 GLN HG2 . fSH2 . 87 . HN . . . fSH2 . 87 . HG* . . rr_1aot 1 344 2 OR . 1 1 87 87 GLN H H . . . 1 1 87 87 GLN HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 87 GLN H . . F . 87 GLN HG3 . fSH2 . 87 . HN . . . fSH2 . 87 . HG* . . rr_1aot 1 345 1 . . 1 1 88 88 HIS HA H . . . 1 1 88 88 HIS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 88 HIS HA . . F . 88 HIS H . fSH2 . 88 . HA . . . fSH2 . 88 . HN . . rr_1aot 1 346 1 . . 1 1 88 88 HIS H H . . . 1 1 88 88 HIS HB3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 88 HIS H . . F . 88 HIS HB3 . fSH2 . 88 . HN . . . fSH2 . 88 . HB1 . . rr_1aot 1 347 1 . . 1 1 88 88 HIS H H . . . 1 1 88 88 HIS HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 88 HIS H . . F . 88 HIS HB2 . fSH2 . 88 . HN . . . fSH2 . 88 . HB2 . . rr_1aot 1 348 1 . . 1 1 89 89 TYR HA H . . . 1 1 89 89 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 89 TYR HA . . F . 89 TYR H . fSH2 . 89 . HA . . . fSH2 . 89 . HN . . rr_1aot 1 349 1 . . 1 1 89 89 TYR H H . . . 1 1 89 89 TYR HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 89 TYR H . . F . 89 TYR HB3 . fSH2 . 89 . HN . . . fSH2 . 89 . HB1 . . rr_1aot 1 350 1 . . 1 1 89 89 TYR H H . . . 1 1 89 89 TYR HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 89 TYR H . . F . 89 TYR HB2 . fSH2 . 89 . HN . . . fSH2 . 89 . HB2 . . rr_1aot 1 351 1 . . 1 1 89 89 TYR H H . . . 1 1 89 89 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR H . . F . 89 TYR QE . fSH2 . 89 . HN . . . fSH2 . 89 . HE* . . rr_1aot 1 352 1 . . 1 1 90 90 SER HA H . . . 1 1 90 90 SER H H . . . . . 0.0 -1.8 2.7 . . . . . F . 90 SER HA . . F . 90 SER H . fSH2 . 90 . HA . . . fSH2 . 90 . HN . . rr_1aot 1 353 1 . . 1 1 90 90 SER H H . . . 1 1 90 90 SER HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 90 SER H . . F . 90 SER HB3 . fSH2 . 90 . HN . . . fSH2 . 90 . HB1 . . rr_1aot 1 354 1 . . 1 1 90 90 SER H H . . . 1 1 90 90 SER HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 90 SER H . . F . 90 SER HB2 . fSH2 . 90 . HN . . . fSH2 . 90 . HB2 . . rr_1aot 1 355 1 . . 1 1 91 91 GLU HA H . . . 1 1 91 91 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 91 GLU HA . . F . 91 GLU H . fSH2 . 91 . HA . . . fSH2 . 91 . HN . . rr_1aot 1 356 1 . . 1 1 91 91 GLU H H . . . 1 1 91 91 GLU HG3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 91 GLU H . . F . 91 GLU HG3 . fSH2 . 91 . HN . . . fSH2 . 91 . HG1 . . rr_1aot 1 357 1 . . 1 1 91 91 GLU H H . . . 1 1 91 91 GLU HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 91 GLU H . . F . 91 GLU HG2 . fSH2 . 91 . HN . . . fSH2 . 91 . HG2 . . rr_1aot 1 358 1 OR . 1 1 91 91 GLU H H . . . 1 1 91 91 GLU HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 91 GLU H . . F . 91 GLU HB2 . fSH2 . 91 . HN . . . fSH2 . 91 . HB* . . rr_1aot 1 358 2 OR . 1 1 91 91 GLU H H . . . 1 1 91 91 GLU HB3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 91 GLU H . . F . 91 GLU HB3 . fSH2 . 91 . HN . . . fSH2 . 91 . HB* . . rr_1aot 1 359 1 . . 1 1 92 92 ARG H H . . . 1 1 92 92 ARG HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 92 ARG H . . F . 92 ARG HA . fSH2 . 92 . HN . . . fSH2 . 92 . HA* . . rr_1aot 1 360 1 . . 1 1 92 92 ARG H H . . . 1 1 92 92 ARG HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG H . . F . 92 ARG HB3 . fSH2 . 92 . HN . . . fSH2 . 92 . HB1 . . rr_1aot 1 361 1 . . 1 1 92 92 ARG H H . . . 1 1 92 92 ARG HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG H . . F . 92 ARG HB2 . fSH2 . 92 . HN . . . fSH2 . 92 . HB2 . . rr_1aot 1 362 1 . . 1 1 92 92 ARG H H . . . 1 1 92 92 ARG HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG H . . F . 92 ARG HG2 . fSH2 . 92 . HN . . . fSH2 . 92 . HG2 . . rr_1aot 1 363 1 . . 1 1 92 92 ARG H H . . . 1 1 92 92 ARG HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG H . . F . 92 ARG HG3 . fSH2 . 92 . HN . . . fSH2 . 92 . HG1 . . rr_1aot 1 364 1 OR . 1 1 92 92 ARG H H . . . 1 1 92 92 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG H . . F . 92 ARG HD2 . fSH2 . 92 . HN . . . fSH2 . 92 . HD* . . rr_1aot 1 364 2 OR . 1 1 92 92 ARG H H . . . 1 1 92 92 ARG HD3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG H . . F . 92 ARG HD3 . fSH2 . 92 . HN . . . fSH2 . 92 . HD* . . rr_1aot 1 365 1 . . 1 1 93 93 ALA H H . . . 1 1 93 93 ALA HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 93 ALA H . . F . 93 ALA HA . fSH2 . 93 . HN . . . fSH2 . 93 . HA* . . rr_1aot 1 366 1 . . 1 1 93 93 ALA H H . . . 1 1 93 93 ALA MB H . . . . . 0.0 -1.8 2.7 . . . . . F . 93 ALA H . . F . 93 ALA MB . fSH2 . 93 . HN . . . fSH2 . 93 . HB* . . rr_1aot 1 367 1 . . 1 1 94 94 ALA H H . . . 1 1 94 94 ALA HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 94 ALA H . . F . 94 ALA HA . fSH2 . 94 . HN . . . fSH2 . 94 . HA* . . rr_1aot 1 368 1 . . 1 1 95 95 GLY H H . . . 1 1 95 95 GLY HA2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 95 GLY H . . F . 95 GLY HA2 . fSH2 . 95 . HN . . . fSH2 . 95 . HA2 . . rr_1aot 1 369 1 . . 1 1 95 95 GLY H H . . . 1 1 95 95 GLY HA3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 95 GLY H . . F . 95 GLY HA3 . fSH2 . 95 . HN . . . fSH2 . 95 . HA1 . . rr_1aot 1 370 1 . . 1 1 96 96 LEU H H . . . 1 1 96 96 LEU HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 96 LEU H . . F . 96 LEU HA . fSH2 . 96 . HN . . . fSH2 . 96 . HA . . rr_1aot 1 371 1 . . 1 1 96 96 LEU MD2 H . . . 1 1 96 96 LEU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU MD2 . . F . 96 LEU HA . fSH2 . 96 . HD2* . . . fSH2 . 96 . HA . . rr_1aot 1 372 1 . . 1 1 96 96 LEU HA H . . . 1 1 96 96 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU HA . . F . 96 LEU MD1 . fSH2 . 96 . HA . . . fSH2 . 96 . HD1* . . rr_1aot 1 373 1 OR . 1 1 96 96 LEU H H . . . 1 1 96 96 LEU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 96 LEU H . . F . 96 LEU HB2 . fSH2 . 96 . HN . . . fSH2 . 96 . HB* . . rr_1aot 1 373 2 OR . 1 1 96 96 LEU H H . . . 1 1 96 96 LEU HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 96 LEU H . . F . 96 LEU HB3 . fSH2 . 96 . HN . . . fSH2 . 96 . HB* . . rr_1aot 1 374 1 . . 1 1 96 96 LEU H H . . . 1 1 96 96 LEU HG H . . . . . 0.0 -1.8 3.5 . . . . . F . 96 LEU H . . F . 96 LEU HG . fSH2 . 96 . HN . . . fSH2 . 96 . HG . . rr_1aot 1 375 1 . . 1 1 96 96 LEU MD2 H . . . 1 1 96 96 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 96 LEU MD2 . . F . 96 LEU H . fSH2 . 96 . HD2* . . . fSH2 . 96 . HN . . rr_1aot 1 376 1 . . 1 1 96 96 LEU H H . . . 1 1 96 96 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 96 LEU H . . F . 96 LEU MD1 . fSH2 . 96 . HN . . . fSH2 . 96 . HD1* . . rr_1aot 1 377 1 . . 1 1 97 97 SER H H . . . 1 1 97 97 SER HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 97 SER H . . F . 97 SER HA . fSH2 . 97 . HN . . . fSH2 . 97 . HA . . rr_1aot 1 378 1 OR . 1 1 97 97 SER H H . . . 1 1 97 97 SER HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 97 SER H . . F . 97 SER HB2 . fSH2 . 97 . HN . . . fSH2 . 97 . HB* . . rr_1aot 1 378 2 OR . 1 1 97 97 SER H H . . . 1 1 97 97 SER HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 97 SER H . . F . 97 SER HB3 . fSH2 . 97 . HN . . . fSH2 . 97 . HB* . . rr_1aot 1 379 1 . . 1 1 98 98 SER HA H . . . 1 1 98 98 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 98 SER HA . . F . 98 SER H . fSH2 . 98 . HA . . . fSH2 . 98 . HN . . rr_1aot 1 380 1 . . 1 1 98 98 SER H H . . . 1 1 98 98 SER HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 98 SER H . . F . 98 SER HB3 . fSH2 . 98 . HN . . . fSH2 . 98 . HB1 . . rr_1aot 1 381 1 . . 1 1 98 98 SER H H . . . 1 1 98 98 SER HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 98 SER H . . F . 98 SER HB2 . fSH2 . 98 . HN . . . fSH2 . 98 . HB2 . . rr_1aot 1 382 1 . . 1 1 99 99 ARG HA H . . . 1 1 99 99 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 99 ARG HA . . F . 99 ARG H . fSH2 . 99 . HA . . . fSH2 . 99 . HN . . rr_1aot 1 383 1 OR . 1 1 99 99 ARG H H . . . 1 1 99 99 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 99 ARG H . . F . 99 ARG HD2 . fSH2 . 99 . HN . . . fSH2 . 99 . HD* . . rr_1aot 1 383 2 OR . 1 1 99 99 ARG H H . . . 1 1 99 99 ARG HD3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 99 ARG H . . F . 99 ARG HD3 . fSH2 . 99 . HN . . . fSH2 . 99 . HD* . . rr_1aot 1 384 1 . . 1 1 100 100 LEU HA H . . . 1 1 100 100 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 100 LEU HA . . F . 100 LEU H . fSH2 . 100 . HA . . . fSH2 . 100 . HN . . rr_1aot 1 385 1 . . 1 1 100 100 LEU HA H . . . 1 1 100 100 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 100 LEU HA . . F . 100 LEU MD1 . fSH2 . 100 . HA . . . fSH2 . 100 . HD1* . . rr_1aot 1 386 1 . . 1 1 100 100 LEU H H . . . 1 1 100 100 LEU HG H . . . . . 0.0 -1.8 3.5 . . . . . F . 100 LEU H . . F . 100 LEU HG . fSH2 . 100 . HN . . . fSH2 . 100 . HG . . rr_1aot 1 387 1 . . 1 1 100 100 LEU H H . . . 1 1 100 100 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 100 LEU H . . F . 100 LEU MD1 . fSH2 . 100 . HN . . . fSH2 . 100 . HD1* . . rr_1aot 1 388 1 . . 1 1 100 100 LEU H H . . . 1 1 100 100 LEU MD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 100 LEU H . . F . 100 LEU MD2 . fSH2 . 100 . HN . . . fSH2 . 100 . HD2* . . rr_1aot 1 389 1 . . 1 1 101 101 VAL HA H . . . 1 1 101 101 VAL H H . . . . . 0.0 -1.8 3.5 . . . . . F . 101 VAL HA . . F . 101 VAL H . fSH2 . 101 . HA . . . fSH2 . 101 . HN . . rr_1aot 1 390 1 . . 1 1 101 101 VAL H H . . . 1 1 101 101 VAL HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 101 VAL H . . F . 101 VAL HB . fSH2 . 101 . HN . . . fSH2 . 101 . HB* . . rr_1aot 1 391 1 . . 1 1 101 101 VAL H H . . . 1 1 101 101 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 101 VAL H . . F . 101 VAL MG1 . fSH2 . 101 . HN . . . fSH2 . 101 . HG1* . . rr_1aot 1 392 1 . . 1 1 101 101 VAL H H . . . 1 1 101 101 VAL MG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 101 VAL H . . F . 101 VAL MG2 . fSH2 . 101 . HN . . . fSH2 . 101 . HG2* . . rr_1aot 1 393 1 . . 1 1 102 102 VAL H H . . . 1 1 102 102 VAL HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 102 VAL H . . F . 102 VAL HB . fSH2 . 102 . HN . . . fSH2 . 102 . HB* . . rr_1aot 1 394 1 . . 1 1 102 102 VAL H H . . . 1 1 102 102 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 102 VAL H . . F . 102 VAL MG2 . fSH2 . 102 . HN . . . fSH2 . 102 . HG2* . . rr_1aot 1 395 1 . . 1 1 104 104 SER HA H . . . 1 1 104 104 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 104 SER HA . . F . 104 SER H . fSH2 . 104 . HA . . . fSH2 . 104 . HN . . rr_1aot 1 396 1 . . 1 1 104 104 SER H H . . . 1 1 104 104 SER HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 104 SER H . . F . 104 SER HB3 . fSH2 . 104 . HN . . . fSH2 . 104 . HB1 . . rr_1aot 1 397 1 . . 1 1 104 104 SER H H . . . 1 1 104 104 SER HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 104 SER H . . F . 104 SER HB2 . fSH2 . 104 . HN . . . fSH2 . 104 . HB2 . . rr_1aot 1 398 1 . . 1 1 105 105 HIS HD2 H . . . 1 1 105 105 HIS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 105 HIS HD2 . . F . 105 HIS H . fSH2 . 105 . HD2 . . . fSH2 . 105 . HN . . rr_1aot 1 399 1 . . 1 1 106 106 LYS HA H . . . 1 1 106 106 LYS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 106 LYS HA . . F . 106 LYS H . fSH2 . 106 . HA . . . fSH2 . 106 . HN . . rr_1aot 1 400 1 . . 1 1 106 106 LYS H H . . . 1 1 106 106 LYS HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 106 LYS H . . F . 106 LYS HB3 . fSH2 . 106 . HN . . . fSH2 . 106 . HB1 . . rr_1aot 1 401 1 . . 1 1 106 106 LYS H H . . . 1 1 106 106 LYS HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 106 LYS H . . F . 106 LYS HB2 . fSH2 . 106 . HN . . . fSH2 . 106 . HB2 . . rr_1aot 1 402 1 . . 1 1 3 3 GLN H H . . . 1 1 2 2 ILE HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 3 GLN H . . F . 2 ILE HA . fSH2 . 3 . HN . . . fSH2 . 2 . HA . . rr_1aot 1 403 1 . . 1 1 3 3 GLN H H . . . 1 1 2 2 ILE MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 3 GLN H . . F . 2 ILE MG . fSH2 . 3 . HN . . . fSH2 . 2 . HG2* . . rr_1aot 1 404 1 . . 1 1 3 3 GLN HA H . . . 1 1 4 4 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 3 GLN HA . . F . 4 ALA H . fSH2 . 3 . HA . . . fSH2 . 4 . HN* . . rr_1aot 1 405 1 . . 1 1 3 3 GLN HB2 H . . . 1 1 4 4 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 3 GLN HB2 . . F . 4 ALA H . fSH2 . 3 . HB2 . . . fSH2 . 4 . HN* . . rr_1aot 1 406 1 . . 1 1 3 3 GLN HB3 H . . . 1 1 4 4 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 3 GLN HB3 . . F . 4 ALA H . fSH2 . 3 . HB1 . . . fSH2 . 4 . HN* . . rr_1aot 1 407 1 . . 1 1 3 3 GLN HA H . . . 1 1 4 4 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 3 GLN HA . . F . 4 ALA H . fSH2 . 3 . HA . . . fSH2 . 4 . HN* . . rr_1aot 1 408 1 . . 1 1 3 3 GLN H H . . . 1 1 4 4 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 3 GLN H . . F . 4 ALA H . fSH2 . 3 . HN . . . fSH2 . 4 . HN* . . rr_1aot 1 409 1 . . 1 1 4 4 ALA HA H . . . 1 1 5 5 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 4 ALA HA . . F . 5 GLU H . fSH2 . 4 . HA* . . . fSH2 . 5 . HN* . . rr_1aot 1 410 1 . . 1 1 4 4 ALA MB H . . . 1 1 5 5 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 4 ALA MB . . F . 5 GLU H . fSH2 . 4 . HB* . . . fSH2 . 5 . HN* . . rr_1aot 1 411 1 . . 1 1 5 5 GLU HA H . . . 1 1 6 6 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 5 GLU HA . . F . 6 GLU H . fSH2 . 5 . HA* . . . fSH2 . 6 . HN* . . rr_1aot 1 412 1 . . 1 1 5 5 GLU H H . . . 1 1 6 6 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 5 GLU H . . F . 6 GLU H . fSH2 . 5 . HN* . . . fSH2 . 6 . HN* . . rr_1aot 1 413 1 OR . 1 1 6 6 GLU H H . . . 1 1 5 5 GLU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 6 GLU H . . F . 5 GLU HB2 . fSH2 . 6 . HN* . . . fSH2 . 5 . HB* . . rr_1aot 1 413 2 OR . 1 1 5 5 GLU HB3 H . . . 1 1 6 6 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 5 GLU HB3 . . F . 6 GLU H . fSH2 . 5 . HB* . . . fSH2 . 6 . HN* . . rr_1aot 1 414 1 . . 1 1 5 5 GLU HG2 H . . . 1 1 6 6 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 5 GLU HG2 . . F . 6 GLU H . fSH2 . 5 . HG2* . . . fSH2 . 6 . HN* . . rr_1aot 1 415 1 . . 1 1 6 6 GLU H H . . . 1 1 7 7 TRP HD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 6 GLU H . . F . 7 TRP HD1 . fSH2 . 6 . HN* . . . fSH2 . 7 . HD1* . . rr_1aot 1 416 1 . . 1 1 6 6 GLU H H . . . 1 1 7 7 TRP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 6 GLU H . . F . 7 TRP H . fSH2 . 6 . HN* . . . fSH2 . 7 . HN* . . rr_1aot 1 417 1 . . 1 1 6 6 GLU HA H . . . 1 1 7 7 TRP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 6 GLU HA . . F . 7 TRP H . fSH2 . 6 . HA* . . . fSH2 . 7 . HN* . . rr_1aot 1 418 1 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 7 TRP H . . F . 6 GLU HB2 . fSH2 . 7 . HN* . . . fSH2 . 6 . HB* . . rr_1aot 1 418 2 OR . 1 1 6 6 GLU HB3 H . . . 1 1 7 7 TRP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 6 GLU HB3 . . F . 7 TRP H . fSH2 . 6 . HB* . . . fSH2 . 7 . HN* . . rr_1aot 1 419 1 . . 1 1 7 7 TRP H H . . . 1 1 8 8 TYR HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP H . . F . 8 TYR HB2 . fSH2 . 7 . HN . . . fSH2 . 8 . HB2 . . rr_1aot 1 420 1 . . 1 1 7 7 TRP H H . . . 1 1 8 8 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 7 TRP H . . F . 8 TYR H . fSH2 . 7 . HN . . . fSH2 . 8 . HN . . rr_1aot 1 421 1 . . 1 1 7 7 TRP HB3 H . . . 1 1 8 8 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HB3 . . F . 8 TYR H . fSH2 . 7 . HB1 . . . fSH2 . 8 . HN . . rr_1aot 1 422 1 . . 1 1 7 7 TRP HA H . . . 1 1 8 8 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HA . . F . 8 TYR H . fSH2 . 7 . HA . . . fSH2 . 8 . HN . . rr_1aot 1 423 1 . . 1 1 8 8 TYR QD H . . . 1 1 7 7 TRP HZ3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 8 TYR QD . . F . 7 TRP HZ3 . fSH2 . 8 . HD* . . . fSH2 . 7 . HZ3 . . rr_1aot 1 424 1 . . 1 1 8 8 TYR H H . . . 1 1 9 9 PHE QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR H . . F . 9 PHE QD . fSH2 . 8 . HN . . . fSH2 . 9 . HD* . . rr_1aot 1 425 1 . . 1 1 8 8 TYR QD H . . . 1 1 9 9 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR QD . . F . 9 PHE H . fSH2 . 8 . HD* . . . fSH2 . 9 . HN . . rr_1aot 1 426 1 . . 1 1 8 8 TYR QD H . . . 1 1 9 9 PHE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR QD . . F . 9 PHE HA . fSH2 . 8 . HD* . . . fSH2 . 9 . HA . . rr_1aot 1 427 1 . . 1 1 8 8 TYR HA H . . . 1 1 9 9 PHE H H . . . . . 0.0 -1.8 2.7 . . . . . F . 8 TYR HA . . F . 9 PHE H . fSH2 . 8 . HA . . . fSH2 . 9 . HN . . rr_1aot 1 428 1 . . 1 1 8 8 TYR HB2 H . . . 1 1 9 9 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR HB2 . . F . 9 PHE H . fSH2 . 8 . HB2 . . . fSH2 . 9 . HN . . rr_1aot 1 429 1 . . 1 1 9 9 PHE H H . . . 1 1 10 10 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE H . . F . 10 GLY H . fSH2 . 9 . HN* . . . fSH2 . 10 . HN* . . rr_1aot 1 430 1 . . 1 1 9 9 PHE HA H . . . 1 1 10 10 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 9 PHE HA . . F . 10 GLY H . fSH2 . 9 . HA* . . . fSH2 . 10 . HN* . . rr_1aot 1 431 1 . . 1 1 10 10 GLY H H . . . 1 1 11 11 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 10 GLY H . . F . 11 LYS H . fSH2 . 10 . HN* . . . fSH2 . 11 . HN* . . rr_1aot 1 432 1 OR . 1 1 10 10 GLY H H . . . 1 1 11 11 LYS HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 10 GLY H . . F . 11 LYS HG3 . fSH2 . 10 . HN* . . . fSH2 . 11 . HG* . . rr_1aot 1 432 2 OR . 1 1 10 10 GLY H H . . . 1 1 11 11 LYS HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 10 GLY H . . F . 11 LYS HG2 . fSH2 . 10 . HN* . . . fSH2 . 11 . HG* . . rr_1aot 1 433 1 . . 1 1 10 10 GLY HA2 H . . . 1 1 11 11 LYS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 10 GLY HA2 . . F . 11 LYS H . fSH2 . 10 . HA2* . . . fSH2 . 11 . HN* . . rr_1aot 1 434 1 . . 1 1 10 10 GLY HA3 H . . . 1 1 11 11 LYS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 10 GLY HA3 . . F . 11 LYS H . fSH2 . 10 . HA1* . . . fSH2 . 11 . HN* . . rr_1aot 1 435 1 . . 1 1 11 11 LYS H H . . . 1 1 12 12 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 11 LYS H . . F . 12 LEU H . fSH2 . 11 . HN* . . . fSH2 . 12 . HN* . . rr_1aot 1 436 1 . . 1 1 11 11 LYS H H . . . 1 1 12 12 LEU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 11 LYS H . . F . 12 LEU HA . fSH2 . 11 . HN* . . . fSH2 . 12 . HA . . rr_1aot 1 437 1 . . 1 1 11 11 LYS H H . . . 1 1 12 12 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 11 LYS H . . F . 12 LEU MD1 . fSH2 . 11 . HN* . . . fSH2 . 12 . HD1* . . rr_1aot 1 438 1 . . 1 1 12 12 LEU H H . . . 1 1 11 11 LYS HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 12 LEU H . . F . 11 LYS HA . fSH2 . 12 . HN* . . . fSH2 . 11 . HA* . . rr_1aot 1 439 1 OR . 1 1 12 12 LEU H H . . . 1 1 11 11 LYS HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 12 LEU H . . F . 11 LYS HB2 . fSH2 . 12 . HN* . . . fSH2 . 11 . HB* . . rr_1aot 1 439 2 OR . 1 1 11 11 LYS HB3 H . . . 1 1 12 12 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 11 LYS HB3 . . F . 12 LEU H . fSH2 . 11 . HB* . . . fSH2 . 12 . HN* . . rr_1aot 1 440 1 . . 1 1 12 12 LEU H H . . . 1 1 13 13 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 12 LEU H . . F . 13 GLY H . fSH2 . 12 . HN* . . . fSH2 . 13 . HN . . rr_1aot 1 441 1 . . 1 1 12 12 LEU HA H . . . 1 1 13 13 GLY H H . . . . . 0.0 -1.8 2.7 . . . . . F . 12 LEU HA . . F . 13 GLY H . fSH2 . 12 . HA* . . . fSH2 . 13 . HN . . rr_1aot 1 442 1 . . 1 1 13 13 GLY H H . . . 1 1 12 12 LEU HG H . . . . . 0.0 -1.8 3.5 . . . . . F . 13 GLY H . . F . 12 LEU HG . fSH2 . 13 . HN . . . fSH2 . 12 . HG* . . rr_1aot 1 443 1 OR . 1 1 13 13 GLY H H . . . 1 1 12 12 LEU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 13 GLY H . . F . 12 LEU HB2 . fSH2 . 13 . HN . . . fSH2 . 12 . HB* . . rr_1aot 1 443 2 OR . 1 1 12 12 LEU HB3 H . . . 1 1 13 13 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 12 LEU HB3 . . F . 13 GLY H . fSH2 . 12 . HB* . . . fSH2 . 13 . HN . . rr_1aot 1 444 1 . . 1 1 12 12 LEU MD1 H . . . 1 1 13 13 GLY H H . . . . . 0.0 -1.8 2.7 . . . . . F . 12 LEU MD1 . . F . 13 GLY H . fSH2 . 12 . HD1* . . . fSH2 . 13 . HN . . rr_1aot 1 445 1 . . 1 1 12 12 LEU MD2 H . . . 1 1 13 13 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 12 LEU MD2 . . F . 13 GLY H . fSH2 . 12 . HD2* . . . fSH2 . 13 . HN . . rr_1aot 1 446 1 . . 1 1 13 13 GLY H H . . . 1 1 14 14 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 13 GLY H . . F . 14 ARG H . fSH2 . 13 . HN* . . . fSH2 . 14 . HN* . . rr_1aot 1 447 1 . . 1 1 13 13 GLY HA3 H . . . 1 1 14 14 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 13 GLY HA3 . . F . 14 ARG H . fSH2 . 13 . HA1* . . . fSH2 . 14 . HN* . . rr_1aot 1 448 1 . . 1 1 13 13 GLY HA2 H . . . 1 1 14 14 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 13 GLY HA2 . . F . 14 ARG H . fSH2 . 13 . HA2* . . . fSH2 . 14 . HN* . . rr_1aot 1 449 1 . . 1 1 15 15 LYS H H . . . 1 1 14 14 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 15 LYS H . . F . 14 ARG H . fSH2 . 15 . HN* . . . fSH2 . 14 . HN* . . rr_1aot 1 450 1 . . 1 1 15 15 LYS H H . . . 1 1 14 14 ARG HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 15 LYS H . . F . 14 ARG HA . fSH2 . 15 . HN* . . . fSH2 . 14 . HA* . . rr_1aot 1 451 1 OR . 1 1 15 15 LYS H H . . . 1 1 14 14 ARG HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 15 LYS H . . F . 14 ARG HB2 . fSH2 . 15 . HN* . . . fSH2 . 14 . HB* . . rr_1aot 1 451 2 OR . 1 1 14 14 ARG HB3 H . . . 1 1 15 15 LYS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 14 ARG HB3 . . F . 15 LYS H . fSH2 . 14 . HB* . . . fSH2 . 15 . HN* . . rr_1aot 1 452 1 OR . 1 1 15 15 LYS H H . . . 1 1 14 14 ARG HD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 15 LYS H . . F . 14 ARG HD2 . fSH2 . 15 . HN* . . . fSH2 . 14 . HD* . . rr_1aot 1 452 2 OR . 1 1 14 14 ARG HD3 H . . . 1 1 15 15 LYS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 14 ARG HD3 . . F . 15 LYS H . fSH2 . 14 . HD* . . . fSH2 . 15 . HN* . . rr_1aot 1 453 1 . . 1 1 15 15 LYS H H . . . 1 1 16 16 ASP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 15 LYS H . . F . 16 ASP H . fSH2 . 15 . HN* . . . fSH2 . 16 . HN* . . rr_1aot 1 454 1 . . 1 1 15 15 LYS H H . . . 1 1 16 16 ASP HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 15 LYS H . . F . 16 ASP HA . fSH2 . 15 . HN* . . . fSH2 . 16 . HA* . . rr_1aot 1 455 1 . . 1 1 15 15 LYS H H . . . 1 1 16 16 ASP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 15 LYS H . . F . 16 ASP HB2 . fSH2 . 15 . HN* . . . fSH2 . 16 . HB2 . . rr_1aot 1 456 1 . . 1 1 15 15 LYS H H . . . 1 1 16 16 ASP HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 15 LYS H . . F . 16 ASP HB3 . fSH2 . 15 . HN* . . . fSH2 . 16 . HB1 . . rr_1aot 1 457 1 . . 1 1 15 15 LYS HA H . . . 1 1 16 16 ASP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 15 LYS HA . . F . 16 ASP H . fSH2 . 15 . HA* . . . fSH2 . 16 . HN* . . rr_1aot 1 458 1 OR . 1 1 16 16 ASP H H . . . 1 1 15 15 LYS HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 16 ASP H . . F . 15 LYS HB2 . fSH2 . 16 . HN* . . . fSH2 . 15 . HB* . . rr_1aot 1 458 2 OR . 1 1 15 15 LYS HB3 H . . . 1 1 16 16 ASP H H . . . . . 0.0 -1.8 2.7 . . . . . F . 15 LYS HB3 . . F . 16 ASP H . fSH2 . 15 . HB* . . . fSH2 . 16 . HN* . . rr_1aot 1 459 1 . . 1 1 16 16 ASP H H . . . 1 1 17 17 ALA HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 16 ASP H . . F . 17 ALA HA . fSH2 . 16 . HN* . . . fSH2 . 17 . HA* . . rr_1aot 1 460 1 . . 1 1 17 17 ALA MB H . . . 1 1 16 16 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 17 ALA MB . . F . 16 ASP H . fSH2 . 17 . HB* . . . fSH2 . 16 . HN* . . rr_1aot 1 461 1 . . 1 1 16 16 ASP H H . . . 1 1 17 17 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 16 ASP H . . F . 17 ALA H . fSH2 . 16 . HN* . . . fSH2 . 17 . HN* . . rr_1aot 1 462 1 . . 1 1 16 16 ASP HA H . . . 1 1 17 17 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 16 ASP HA . . F . 17 ALA H . fSH2 . 16 . HA* . . . fSH2 . 17 . HN* . . rr_1aot 1 463 1 . . 1 1 16 16 ASP HB2 H . . . 1 1 17 17 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 16 ASP HB2 . . F . 17 ALA H . fSH2 . 16 . HB2* . . . fSH2 . 17 . HN* . . rr_1aot 1 464 1 . . 1 1 16 16 ASP HB3 H . . . 1 1 17 17 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 16 ASP HB3 . . F . 17 ALA H . fSH2 . 16 . HB1* . . . fSH2 . 17 . HN* . . rr_1aot 1 465 1 . . 1 1 17 17 ALA H H . . . 1 1 18 18 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 17 ALA H . . F . 18 GLU H . fSH2 . 17 . HN* . . . fSH2 . 18 . HN* . . rr_1aot 1 466 1 . . 1 1 17 17 ALA HA H . . . 1 1 18 18 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 17 ALA HA . . F . 18 GLU H . fSH2 . 17 . HA* . . . fSH2 . 18 . HN* . . rr_1aot 1 467 1 . . 1 1 17 17 ALA MB H . . . 1 1 18 18 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 17 ALA MB . . F . 18 GLU H . fSH2 . 17 . HB* . . . fSH2 . 18 . HN* . . rr_1aot 1 468 1 OR . 1 1 17 17 ALA MB H . . . 1 1 18 18 GLU HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 17 ALA MB . . F . 18 GLU HG3 . fSH2 . 17 . HB* . . . fSH2 . 18 . HG* . . rr_1aot 1 468 2 OR . 1 1 17 17 ALA MB H . . . 1 1 18 18 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 17 ALA MB . . F . 18 GLU HG2 . fSH2 . 17 . HB* . . . fSH2 . 18 . HG* . . rr_1aot 1 469 1 . . 1 1 18 18 GLU H H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 18 GLU H . . F . 19 ARG H . fSH2 . 18 . HN* . . . fSH2 . 19 . HN* . . rr_1aot 1 470 1 . . 1 1 18 18 GLU HG2 H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 18 GLU HG2 . . F . 19 ARG H . fSH2 . 18 . HG2* . . . fSH2 . 19 . HN* . . rr_1aot 1 471 1 . . 1 1 19 19 ARG H H . . . 1 1 18 18 GLU HG3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 19 ARG H . . F . 18 GLU HG3 . fSH2 . 19 . HN* . . . fSH2 . 18 . HG1* . . rr_1aot 1 472 1 . . 1 1 18 18 GLU HA H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 18 GLU HA . . F . 19 ARG H . fSH2 . 18 . HA* . . . fSH2 . 19 . HN* . . rr_1aot 1 473 1 OR . 1 1 18 18 GLU HB3 H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 18 GLU HB3 . . F . 19 ARG H . fSH2 . 18 . HB* . . . fSH2 . 19 . HN* . . rr_1aot 1 473 2 OR . 1 1 19 19 ARG H H . . . 1 1 18 18 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 19 ARG H . . F . 18 GLU HB2 . fSH2 . 19 . HN* . . . fSH2 . 18 . HB* . . rr_1aot 1 474 1 . . 1 1 19 19 ARG H H . . . 1 1 20 20 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 19 ARG H . . F . 20 GLN H . fSH2 . 19 . HN* . . . fSH2 . 20 . HN* . . rr_1aot 1 475 1 . . 1 1 19 19 ARG HA H . . . 1 1 20 20 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 19 ARG HA . . F . 20 GLN H . fSH2 . 19 . HA* . . . fSH2 . 20 . HN* . . rr_1aot 1 476 1 OR . 1 1 19 19 ARG HB3 H . . . 1 1 20 20 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG HB3 . . F . 20 GLN H . fSH2 . 19 . HB* . . . fSH2 . 20 . HN* . . rr_1aot 1 476 2 OR . 1 1 20 20 GLN H H . . . 1 1 19 19 ARG HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 20 GLN H . . F . 19 ARG HB2 . fSH2 . 20 . HN* . . . fSH2 . 19 . HB* . . rr_1aot 1 477 1 OR . 1 1 19 19 ARG HG3 H . . . 1 1 20 20 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG HG3 . . F . 20 GLN H . fSH2 . 19 . HG* . . . fSH2 . 20 . HN* . . rr_1aot 1 477 2 OR . 1 1 20 20 GLN H H . . . 1 1 19 19 ARG HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 20 GLN H . . F . 19 ARG HG2 . fSH2 . 20 . HN* . . . fSH2 . 19 . HG* . . rr_1aot 1 478 1 OR . 1 1 19 19 ARG HD3 H . . . 1 1 20 20 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG HD3 . . F . 20 GLN H . fSH2 . 19 . HD* . . . fSH2 . 20 . HN* . . rr_1aot 1 478 2 OR . 1 1 20 20 GLN H H . . . 1 1 19 19 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 20 GLN H . . F . 19 ARG HD2 . fSH2 . 20 . HN* . . . fSH2 . 19 . HD* . . rr_1aot 1 479 1 . . 1 1 20 20 GLN H H . . . 1 1 21 21 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 20 GLN H . . F . 21 LEU H . fSH2 . 20 . HN* . . . fSH2 . 21 . HN* . . rr_1aot 1 480 1 OR . 1 1 20 20 GLN HB3 H . . . 1 1 21 21 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 20 GLN HB3 . . F . 21 LEU H . fSH2 . 20 . HB* . . . fSH2 . 21 . HN* . . rr_1aot 1 480 2 OR . 1 1 21 21 LEU H H . . . 1 1 20 20 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 21 LEU H . . F . 20 GLN HB2 . fSH2 . 21 . HN* . . . fSH2 . 20 . HB* . . rr_1aot 1 481 1 OR . 1 1 21 21 LEU H H . . . 1 1 20 20 GLN HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 21 LEU H . . F . 20 GLN HG2 . fSH2 . 21 . HN* . . . fSH2 . 20 . HG* . . rr_1aot 1 481 2 OR . 1 1 20 20 GLN HG3 H . . . 1 1 21 21 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 20 GLN HG3 . . F . 21 LEU H . fSH2 . 20 . HG* . . . fSH2 . 21 . HN* . . rr_1aot 1 482 1 . . 1 1 21 21 LEU HA H . . . 1 1 22 22 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 21 LEU HA . . F . 22 LEU H . fSH2 . 21 . HA* . . . fSH2 . 22 . HN* . . rr_1aot 1 483 1 . . 1 1 22 22 LEU H H . . . 1 1 23 23 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 22 LEU H . . F . 23 SER H . fSH2 . 22 . HN* . . . fSH2 . 23 . HN* . . rr_1aot 1 484 1 . . 1 1 22 22 LEU HG H . . . 1 1 23 23 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 22 LEU HG . . F . 23 SER H . fSH2 . 22 . HG* . . . fSH2 . 23 . HN* . . rr_1aot 1 485 1 . . 1 1 22 22 LEU MD1 H . . . 1 1 23 23 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 22 LEU MD1 . . F . 23 SER H . fSH2 . 22 . HD1* . . . fSH2 . 23 . HN* . . rr_1aot 1 486 1 . . 1 1 22 22 LEU HA H . . . 1 1 23 23 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 22 LEU HA . . F . 23 SER H . fSH2 . 22 . HA* . . . fSH2 . 23 . HN* . . rr_1aot 1 487 1 . . 1 1 24 24 PHE HB3 H . . . 1 1 25 25 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 24 PHE HB3 . . F . 25 GLY H . fSH2 . 24 . HB1 . . . fSH2 . 25 . HN* . . rr_1aot 1 488 1 . . 1 1 24 24 PHE HB2 H . . . 1 1 25 25 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 24 PHE HB2 . . F . 25 GLY H . fSH2 . 24 . HB2 . . . fSH2 . 25 . HN* . . rr_1aot 1 489 1 . . 1 1 24 24 PHE QD H . . . 1 1 25 25 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 24 PHE QD . . F . 25 GLY H . fSH2 . 24 . HD* . . . fSH2 . 25 . HN* . . rr_1aot 1 490 1 . . 1 1 25 25 GLY H H . . . 1 1 24 24 PHE HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 25 GLY H . . F . 24 PHE HA . fSH2 . 25 . HN* . . . fSH2 . 24 . HA . . rr_1aot 1 491 1 . . 1 1 25 25 GLY H H . . . 1 1 26 26 ASN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 25 GLY H . . F . 26 ASN H . fSH2 . 25 . HN* . . . fSH2 . 26 . HN* . . rr_1aot 1 492 1 . . 1 1 25 25 GLY HA3 H . . . 1 1 26 26 ASN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 25 GLY HA3 . . F . 26 ASN H . fSH2 . 25 . HA1* . . . fSH2 . 26 . HN* . . rr_1aot 1 493 1 . . 1 1 25 25 GLY HA2 H . . . 1 1 26 26 ASN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 25 GLY HA2 . . F . 26 ASN H . fSH2 . 25 . HA2* . . . fSH2 . 26 . HN* . . rr_1aot 1 494 1 . . 1 1 27 27 PRO HA H . . . 1 1 28 28 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 27 PRO HA . . F . 28 ARG H . fSH2 . 27 . HA . . . fSH2 . 28 . HN* . . rr_1aot 1 495 1 OR . 1 1 27 27 PRO HB3 H . . . 1 1 28 28 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 27 PRO HB3 . . F . 28 ARG H . fSH2 . 27 . HB* . . . fSH2 . 28 . HN* . . rr_1aot 1 495 2 OR . 1 1 28 28 ARG H H . . . 1 1 27 27 PRO HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 28 ARG H . . F . 27 PRO HB2 . fSH2 . 28 . HN* . . . fSH2 . 27 . HB* . . rr_1aot 1 496 1 . . 1 1 29 29 GLY H H . . . 1 1 28 28 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 29 GLY H . . F . 28 ARG H . fSH2 . 29 . HN . . . fSH2 . 28 . HN* . . rr_1aot 1 497 1 . . 1 1 28 28 ARG HA H . . . 1 1 29 29 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 28 ARG HA . . F . 29 GLY H . fSH2 . 28 . HA . . . fSH2 . 29 . HN . . rr_1aot 1 498 1 OR . 1 1 29 29 GLY H H . . . 1 1 28 28 ARG HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 29 GLY H . . F . 28 ARG HB2 . fSH2 . 29 . HN . . . fSH2 . 28 . HB* . . rr_1aot 1 498 2 OR . 1 1 28 28 ARG HB3 H . . . 1 1 29 29 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 28 ARG HB3 . . F . 29 GLY H . fSH2 . 28 . HB* . . . fSH2 . 29 . HN . . rr_1aot 1 499 1 . . 1 1 30 30 THR H H . . . 1 1 29 29 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 30 THR H . . F . 29 GLY H . fSH2 . 30 . HN . . . fSH2 . 29 . HN . . rr_1aot 1 500 1 . . 1 1 30 30 THR HG1 H . . . 1 1 29 29 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR HG1 . . F . 29 GLY H . fSH2 . 30 . HG1 . . . fSH2 . 29 . HN . . rr_1aot 1 501 1 . . 1 1 29 29 GLY HA3 H . . . 1 1 30 30 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 29 GLY HA3 . . F . 30 THR H . fSH2 . 29 . HA1 . . . fSH2 . 30 . HN . . rr_1aot 1 502 1 . . 1 1 29 29 GLY HA2 H . . . 1 1 30 30 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 29 GLY HA2 . . F . 30 THR H . fSH2 . 29 . HA2 . . . fSH2 . 30 . HN . . rr_1aot 1 503 1 . . 1 1 30 30 THR HA H . . . 1 1 31 31 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR HA . . F . 31 PHE H . fSH2 . 30 . HA* . . . fSH2 . 31 . HN . . rr_1aot 1 504 1 . . 1 1 31 31 PHE H H . . . 1 1 30 30 THR HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 31 PHE H . . F . 30 THR HB . fSH2 . 31 . HN . . . fSH2 . 30 . HB* . . rr_1aot 1 505 1 . . 1 1 30 30 THR HG1 H . . . 1 1 31 31 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR HG1 . . F . 31 PHE H . fSH2 . 30 . HG1 . . . fSH2 . 31 . HN . . rr_1aot 1 506 1 . . 1 1 31 31 PHE H H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 31 PHE H . . F . 32 LEU H . fSH2 . 31 . HN* . . . fSH2 . 32 . HN* . . rr_1aot 1 507 1 . . 1 1 31 31 PHE HA H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 2.7 . . . . . F . 31 PHE HA . . F . 32 LEU H . fSH2 . 31 . HA . . . fSH2 . 32 . HN* . . rr_1aot 1 508 1 . . 1 1 31 31 PHE HB3 H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 31 PHE HB3 . . F . 32 LEU H . fSH2 . 31 . HB1* . . . fSH2 . 32 . HN* . . rr_1aot 1 509 1 . . 1 1 31 31 PHE HB2 H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 31 PHE HB2 . . F . 32 LEU H . fSH2 . 31 . HB2* . . . fSH2 . 32 . HN* . . rr_1aot 1 510 1 . . 1 1 31 31 PHE QD H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 31 PHE QD . . F . 32 LEU H . fSH2 . 31 . HD* . . . fSH2 . 32 . HN* . . rr_1aot 1 511 1 . . 1 1 33 33 ILE H H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE H . . F . 32 LEU H . fSH2 . 33 . HN* . . . fSH2 . 32 . HN* . . rr_1aot 1 512 1 . . 1 1 32 32 LEU MD1 H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 32 LEU MD1 . . F . 33 ILE H . fSH2 . 32 . HD1* . . . fSH2 . 33 . HN* . . rr_1aot 1 513 1 . . 1 1 32 32 LEU MD2 H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 32 LEU MD2 . . F . 33 ILE H . fSH2 . 32 . HD2* . . . fSH2 . 33 . HN* . . rr_1aot 1 514 1 . . 1 1 33 33 ILE HA H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 2.7 . . . . . F . 33 ILE HA . . F . 34 ARG H . fSH2 . 33 . HA* . . . fSH2 . 34 . HN* . . rr_1aot 1 515 1 . . 1 1 33 33 ILE HB H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE HB . . F . 34 ARG H . fSH2 . 33 . HB* . . . fSH2 . 34 . HN* . . rr_1aot 1 516 1 OR . 1 1 33 33 ILE HG13 H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE HG13 . . F . 34 ARG H . fSH2 . 33 . HG1* . . . fSH2 . 34 . HN* . . rr_1aot 1 516 2 OR . 1 1 34 34 ARG H H . . . 1 1 33 33 ILE HG12 H . . . . . 0.0 -1.8 5.0 . . . . . F . 34 ARG H . . F . 33 ILE HG12 . fSH2 . 34 . HN* . . . fSH2 . 33 . HG1* . . rr_1aot 1 517 1 . . 1 1 33 33 ILE MG H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE MG . . F . 34 ARG H . fSH2 . 33 . HG2* . . . fSH2 . 34 . HN* . . rr_1aot 1 518 1 . . 1 1 33 33 ILE MD H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE MD . . F . 34 ARG H . fSH2 . 33 . HD1* . . . fSH2 . 34 . HN* . . rr_1aot 1 519 1 . . 1 1 33 33 ILE H H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE H . . F . 34 ARG H . fSH2 . 33 . HN* . . . fSH2 . 34 . HN* . . rr_1aot 1 520 1 . . 1 1 35 35 GLU H H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 35 GLU H . . F . 34 ARG H . fSH2 . 35 . HN* . . . fSH2 . 34 . HN* . . rr_1aot 1 521 1 . . 1 1 34 34 ARG HA H . . . 1 1 35 35 GLU H H . . . . . 0.0 -1.8 2.7 . . . . . F . 34 ARG HA . . F . 35 GLU H . fSH2 . 34 . HA* . . . fSH2 . 35 . HN* . . rr_1aot 1 522 1 . . 1 1 35 35 GLU H H . . . 1 1 36 36 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 35 GLU H . . F . 36 SER H . fSH2 . 35 . HN* . . . fSH2 . 36 . HN* . . rr_1aot 1 523 1 . . 1 1 35 35 GLU HA H . . . 1 1 36 36 SER H H . . . . . 0.0 -1.8 2.7 . . . . . F . 35 GLU HA . . F . 36 SER H . fSH2 . 35 . HA* . . . fSH2 . 36 . HN* . . rr_1aot 1 524 1 OR . 1 1 35 35 GLU HG3 H . . . 1 1 36 36 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 35 GLU HG3 . . F . 36 SER H . fSH2 . 35 . HG* . . . fSH2 . 36 . HN* . . rr_1aot 1 524 2 OR . 1 1 36 36 SER H H . . . 1 1 35 35 GLU HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 36 SER H . . F . 35 GLU HG2 . fSH2 . 36 . HN* . . . fSH2 . 35 . HG* . . rr_1aot 1 525 1 . . 1 1 35 35 GLU HB3 H . . . 1 1 36 36 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 35 GLU HB3 . . F . 36 SER H . fSH2 . 35 . HB1* . . . fSH2 . 36 . HN* . . rr_1aot 1 526 1 . . 1 1 35 35 GLU HB2 H . . . 1 1 36 36 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 35 GLU HB2 . . F . 36 SER H . fSH2 . 35 . HB2* . . . fSH2 . 36 . HN* . . rr_1aot 1 527 1 . . 1 1 36 36 SER HA H . . . 1 1 37 37 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 36 SER HA . . F . 37 GLU H . fSH2 . 36 . HA* . . . fSH2 . 37 . HN* . . rr_1aot 1 528 1 . . 1 1 37 37 GLU H H . . . 1 1 36 36 SER HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 37 GLU H . . F . 36 SER HB2 . fSH2 . 37 . HN* . . . fSH2 . 36 . HB2* . . rr_1aot 1 529 1 . . 1 1 37 37 GLU H H . . . 1 1 36 36 SER HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 37 GLU H . . F . 36 SER HB3 . fSH2 . 37 . HN* . . . fSH2 . 36 . HB1* . . rr_1aot 1 530 1 . . 1 1 37 37 GLU H H . . . 1 1 38 38 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 37 GLU H . . F . 38 THR H . fSH2 . 37 . HN* . . . fSH2 . 38 . HN* . . rr_1aot 1 531 1 . . 1 1 38 38 THR H H . . . 1 1 37 37 GLU HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 38 THR H . . F . 37 GLU HA . fSH2 . 38 . HN* . . . fSH2 . 37 . HA* . . rr_1aot 1 532 1 OR . 1 1 38 38 THR H H . . . 1 1 37 37 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 38 THR H . . F . 37 GLU HG2 . fSH2 . 38 . HN* . . . fSH2 . 37 . HG* . . rr_1aot 1 532 2 OR . 1 1 37 37 GLU HG3 H . . . 1 1 38 38 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 37 GLU HG3 . . F . 38 THR H . fSH2 . 37 . HG* . . . fSH2 . 38 . HN* . . rr_1aot 1 533 1 OR . 1 1 37 37 GLU HB3 H . . . 1 1 38 38 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 37 GLU HB3 . . F . 38 THR H . fSH2 . 37 . HB* . . . fSH2 . 38 . HN* . . rr_1aot 1 533 2 OR . 1 1 38 38 THR H H . . . 1 1 37 37 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 38 THR H . . F . 37 GLU HB2 . fSH2 . 38 . HN* . . . fSH2 . 37 . HB* . . rr_1aot 1 534 1 . . 1 1 39 39 THR H H . . . 1 1 38 38 THR H H . . . . . 0.0 -1.8 2.7 . . . . . F . 39 THR H . . F . 38 THR H . fSH2 . 39 . HN* . . . fSH2 . 38 . HN . . rr_1aot 1 535 1 . . 1 1 39 39 THR H H . . . 1 1 38 38 THR HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 39 THR H . . F . 38 THR HA . fSH2 . 39 . HN* . . . fSH2 . 38 . HA . . rr_1aot 1 536 1 . . 1 1 38 38 THR HB H . . . 1 1 39 39 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 38 THR HB . . F . 39 THR H . fSH2 . 38 . HB . . . fSH2 . 39 . HN* . . rr_1aot 1 537 1 . . 1 1 38 38 THR MG H . . . 1 1 39 39 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 38 THR MG . . F . 39 THR H . fSH2 . 38 . HG2* . . . fSH2 . 39 . HN* . . rr_1aot 1 538 1 . . 1 1 39 39 THR H H . . . 1 1 40 40 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 39 THR H . . F . 40 LYS H . fSH2 . 39 . HN* . . . fSH2 . 40 . HN* . . rr_1aot 1 539 1 . . 1 1 39 39 THR HA H . . . 1 1 40 40 LYS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 39 THR HA . . F . 40 LYS H . fSH2 . 39 . HA* . . . fSH2 . 40 . HN* . . rr_1aot 1 540 1 . . 1 1 39 39 THR HB H . . . 1 1 40 40 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 39 THR HB . . F . 40 LYS H . fSH2 . 39 . HB* . . . fSH2 . 40 . HN* . . rr_1aot 1 541 1 . . 1 1 39 39 THR MG H . . . 1 1 40 40 LYS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 39 THR MG . . F . 40 LYS H . fSH2 . 39 . HG2* . . . fSH2 . 40 . HN* . . rr_1aot 1 542 1 . . 1 1 40 40 LYS HA H . . . 1 1 41 41 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 40 LYS HA . . F . 41 GLY H . fSH2 . 40 . HA . . . fSH2 . 41 . HN* . . rr_1aot 1 543 1 . . 1 1 40 40 LYS H H . . . 1 1 41 41 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 40 LYS H . . F . 41 GLY H . fSH2 . 40 . HN* . . . fSH2 . 41 . HN* . . rr_1aot 1 544 1 OR . 1 1 40 40 LYS HB3 H . . . 1 1 41 41 GLY H H . . . . . 0.0 -1.8 2.7 . . . . . F . 40 LYS HB3 . . F . 41 GLY H . fSH2 . 40 . HB* . . . fSH2 . 41 . HN* . . rr_1aot 1 544 2 OR . 1 1 41 41 GLY H H . . . 1 1 40 40 LYS HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 41 GLY H . . F . 40 LYS HB2 . fSH2 . 41 . HN* . . . fSH2 . 40 . HB* . . rr_1aot 1 545 1 OR . 1 1 40 40 LYS HG3 H . . . 1 1 41 41 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 40 LYS HG3 . . F . 41 GLY H . fSH2 . 40 . HG* . . . fSH2 . 41 . HN* . . rr_1aot 1 545 2 OR . 1 1 41 41 GLY H H . . . 1 1 40 40 LYS HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 41 GLY H . . F . 40 LYS HG2 . fSH2 . 41 . HN* . . . fSH2 . 40 . HG* . . rr_1aot 1 546 1 . . 1 1 40 40 LYS HA H . . . 1 1 41 41 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 40 LYS HA . . F . 41 GLY H . fSH2 . 40 . HA* . . . fSH2 . 41 . HN* . . rr_1aot 1 547 1 . . 1 1 42 42 ALA H H . . . 1 1 41 41 GLY H H . . . . . 0.0 -1.8 2.7 . . . . . F . 42 ALA H . . F . 41 GLY H . fSH2 . 42 . HN* . . . fSH2 . 41 . HN* . . rr_1aot 1 548 1 . . 1 1 41 41 GLY HA2 H . . . 1 1 42 42 ALA H H . . . . . 0.0 -1.8 2.7 . . . . . F . 41 GLY HA2 . . F . 42 ALA H . fSH2 . 41 . HA2* . . . fSH2 . 42 . HN* . . rr_1aot 1 549 1 . . 1 1 43 43 TYR H H . . . 1 1 42 42 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR H . . F . 42 ALA H . fSH2 . 43 . HN* . . . fSH2 . 42 . HN* . . rr_1aot 1 550 1 . . 1 1 43 43 TYR HA H . . . 1 1 42 42 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR HA . . F . 42 ALA H . fSH2 . 43 . HA . . . fSH2 . 42 . HN* . . rr_1aot 1 551 1 . . 1 1 43 43 TYR H H . . . 1 1 42 42 ALA HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 43 TYR H . . F . 42 ALA HA . fSH2 . 43 . HN* . . . fSH2 . 42 . HA* . . rr_1aot 1 552 1 . . 1 1 42 42 ALA MB H . . . 1 1 43 43 TYR H H . . . . . 0.0 -1.8 2.7 . . . . . F . 42 ALA MB . . F . 43 TYR H . fSH2 . 42 . HB* . . . fSH2 . 43 . HN* . . rr_1aot 1 553 1 . . 1 1 43 43 TYR H H . . . 1 1 44 44 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR H . . F . 44 SER H . fSH2 . 43 . HN . . . fSH2 . 44 . HN* . . rr_1aot 1 554 1 . . 1 1 43 43 TYR HA H . . . 1 1 44 44 SER H H . . . . . 0.0 -1.8 2.7 . . . . . F . 43 TYR HA . . F . 44 SER H . fSH2 . 43 . HA . . . fSH2 . 44 . HN* . . rr_1aot 1 555 1 . . 1 1 44 44 SER H H . . . 1 1 43 43 TYR HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER H . . F . 43 TYR HB3 . fSH2 . 44 . HN* . . . fSH2 . 43 . HB1 . . rr_1aot 1 556 1 . . 1 1 44 44 SER H H . . . 1 1 43 43 TYR HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER H . . F . 43 TYR HB2 . fSH2 . 44 . HN* . . . fSH2 . 43 . HB2 . . rr_1aot 1 557 1 . . 1 1 44 44 SER HA H . . . 1 1 45 45 LEU H H . . . . . 0.0 -1.8 2.7 . . . . . F . 44 SER HA . . F . 45 LEU H . fSH2 . 44 . HA . . . fSH2 . 45 . HN . . rr_1aot 1 558 1 . . 1 1 44 44 SER HB3 H . . . 1 1 45 45 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 44 SER HB3 . . F . 45 LEU H . fSH2 . 44 . HB1 . . . fSH2 . 45 . HN . . rr_1aot 1 559 1 . . 1 1 44 44 SER HB2 H . . . 1 1 45 45 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER HB2 . . F . 45 LEU H . fSH2 . 44 . HB2 . . . fSH2 . 45 . HN . . rr_1aot 1 560 1 . . 1 1 46 46 SER H H . . . 1 1 45 45 LEU HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 46 SER H . . F . 45 LEU HA . fSH2 . 46 . HN . . . fSH2 . 45 . HA* . . rr_1aot 1 561 1 OR . 1 1 46 46 SER H H . . . 1 1 45 45 LEU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 46 SER H . . F . 45 LEU HB2 . fSH2 . 46 . HN . . . fSH2 . 45 . HB* . . rr_1aot 1 561 2 OR . 1 1 45 45 LEU HB3 H . . . 1 1 46 46 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU HB3 . . F . 46 SER H . fSH2 . 45 . HB* . . . fSH2 . 46 . HN . . rr_1aot 1 562 1 . . 1 1 45 45 LEU HG H . . . 1 1 46 46 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU HG . . F . 46 SER H . fSH2 . 45 . HG . . . fSH2 . 46 . HN . . rr_1aot 1 563 1 . . 1 1 46 46 SER H H . . . 1 1 45 45 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 46 SER H . . F . 45 LEU MD1 . fSH2 . 46 . HN . . . fSH2 . 45 . HD1* . . rr_1aot 1 564 1 . . 1 1 46 46 SER H H . . . 1 1 45 45 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 46 SER H . . F . 45 LEU MD2 . fSH2 . 46 . HN . . . fSH2 . 45 . HD2* . . rr_1aot 1 565 1 . . 1 1 46 46 SER HA H . . . 1 1 47 47 ILE H H . . . . . 0.0 -1.8 2.7 . . . . . F . 46 SER HA . . F . 47 ILE H . fSH2 . 46 . HA . . . fSH2 . 47 . HN . . rr_1aot 1 566 1 . . 1 1 46 46 SER HB2 H . . . 1 1 47 47 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 46 SER HB2 . . F . 47 ILE H . fSH2 . 46 . HB2 . . . fSH2 . 47 . HN . . rr_1aot 1 567 1 . . 1 1 46 46 SER HB3 H . . . 1 1 47 47 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 46 SER HB3 . . F . 47 ILE H . fSH2 . 46 . HB1 . . . fSH2 . 47 . HN . . rr_1aot 1 568 1 . . 1 1 47 47 ILE HA H . . . 1 1 48 48 ARG H H . . . . . 0.0 -1.8 2.7 . . . . . F . 47 ILE HA . . F . 48 ARG H . fSH2 . 47 . HA* . . . fSH2 . 48 . HN . . rr_1aot 1 569 1 . . 1 1 47 47 ILE MG H . . . 1 1 48 48 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE MG . . F . 48 ARG H . fSH2 . 47 . HG2* . . . fSH2 . 48 . HN . . rr_1aot 1 570 1 . . 1 1 47 47 ILE MD H . . . 1 1 48 48 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE MD . . F . 48 ARG H . fSH2 . 47 . HD1* . . . fSH2 . 48 . HN . . rr_1aot 1 571 1 . . 1 1 48 48 ARG H H . . . 1 1 49 49 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG H . . F . 49 ASP H . fSH2 . 48 . HN* . . . fSH2 . 49 . HN* . . rr_1aot 1 572 1 . . 1 1 48 48 ARG HA H . . . 1 1 49 49 ASP H H . . . . . 0.0 -1.8 2.7 . . . . . F . 48 ARG HA . . F . 49 ASP H . fSH2 . 48 . HA* . . . fSH2 . 49 . HN* . . rr_1aot 1 573 1 OR . 1 1 49 49 ASP H H . . . 1 1 48 48 ARG HD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 49 ASP H . . F . 48 ARG HD2 . fSH2 . 49 . HN* . . . fSH2 . 48 . HD* . . rr_1aot 1 573 2 OR . 1 1 48 48 ARG HD3 H . . . 1 1 49 49 ASP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 48 ARG HD3 . . F . 49 ASP H . fSH2 . 48 . HD* . . . fSH2 . 49 . HN* . . rr_1aot 1 574 1 . . 1 1 49 49 ASP HA H . . . 1 1 50 50 TRP H H . . . . . 0.0 -1.8 2.7 . . . . . F . 49 ASP HA . . F . 50 TRP H . fSH2 . 49 . HA* . . . fSH2 . 50 . HN* . . rr_1aot 1 575 1 . . 1 1 50 50 TRP H H . . . 1 1 51 51 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP H . . F . 51 ASP H . fSH2 . 50 . HN . . . fSH2 . 51 . HN . . rr_1aot 1 576 1 . . 1 1 51 51 ASP H H . . . 1 1 50 50 TRP HE1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 51 ASP H . . F . 50 TRP HE1 . fSH2 . 51 . HN . . . fSH2 . 50 . HE1* . . rr_1aot 1 577 1 . . 1 1 50 50 TRP HA H . . . 1 1 51 51 ASP H H . . . . . 0.0 -1.8 2.7 . . . . . F . 50 TRP HA . . F . 51 ASP H . fSH2 . 50 . HA . . . fSH2 . 51 . HN . . rr_1aot 1 578 1 . . 1 1 50 50 TRP HB3 H . . . 1 1 51 51 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HB3 . . F . 51 ASP H . fSH2 . 50 . HB1 . . . fSH2 . 51 . HN . . rr_1aot 1 579 1 . . 1 1 50 50 TRP HB2 H . . . 1 1 51 51 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HB2 . . F . 51 ASP H . fSH2 . 50 . HB2 . . . fSH2 . 51 . HN . . rr_1aot 1 580 1 . . 1 1 51 51 ASP H H . . . 1 1 50 50 TRP HZ3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 51 ASP H . . F . 50 TRP HZ3 . fSH2 . 51 . HN . . . fSH2 . 50 . HZ3 . . rr_1aot 1 581 1 . . 1 1 51 51 ASP H H . . . 1 1 52 52 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 51 ASP H . . F . 52 ASP H . fSH2 . 51 . HN . . . fSH2 . 52 . HN . . rr_1aot 1 582 1 . . 1 1 53 53 MET H H . . . 1 1 52 52 ASP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 53 MET H . . F . 52 ASP H . fSH2 . 53 . HN . . . fSH2 . 52 . HN . . rr_1aot 1 583 1 . . 1 1 53 53 MET ME H . . . 1 1 52 52 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET ME . . F . 52 ASP H . fSH2 . 53 . HE* . . . fSH2 . 52 . HN . . rr_1aot 1 584 1 . . 1 1 53 53 MET H H . . . 1 1 54 54 LYS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 53 MET H . . F . 54 LYS H . fSH2 . 53 . HN . . . fSH2 . 54 . HN . . rr_1aot 1 585 1 . . 1 1 53 53 MET H H . . . 1 1 54 54 LYS HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET H . . F . 54 LYS HA . fSH2 . 53 . HN . . . fSH2 . 54 . HA . . rr_1aot 1 586 1 OR . 1 1 53 53 MET H H . . . 1 1 54 54 LYS HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET H . . F . 54 LYS HG2 . fSH2 . 53 . HN . . . fSH2 . 54 . HG* . . rr_1aot 1 586 2 OR . 1 1 53 53 MET H H . . . 1 1 54 54 LYS HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET H . . F . 54 LYS HG3 . fSH2 . 53 . HN . . . fSH2 . 54 . HG* . . rr_1aot 1 587 1 . . 1 1 53 53 MET HA H . . . 1 1 54 54 LYS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 53 MET HA . . F . 54 LYS H . fSH2 . 53 . HA . . . fSH2 . 54 . HN . . rr_1aot 1 588 1 . . 1 1 53 53 MET HB3 H . . . 1 1 54 54 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET HB3 . . F . 54 LYS H . fSH2 . 53 . HB1 . . . fSH2 . 54 . HN . . rr_1aot 1 589 1 . . 1 1 53 53 MET HB2 H . . . 1 1 54 54 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET HB2 . . F . 54 LYS H . fSH2 . 53 . HB2 . . . fSH2 . 54 . HN . . rr_1aot 1 590 1 . . 1 1 53 53 MET ME H . . . 1 1 54 54 LYS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 53 MET ME . . F . 54 LYS H . fSH2 . 53 . HE* . . . fSH2 . 54 . HN . . rr_1aot 1 591 1 . . 1 1 55 55 GLY H H . . . 1 1 54 54 LYS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 55 GLY H . . F . 54 LYS H . fSH2 . 55 . HN . . . fSH2 . 54 . HN . . rr_1aot 1 592 1 . . 1 1 55 55 GLY HA2 H . . . 1 1 54 54 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 55 GLY HA2 . . F . 54 LYS H . fSH2 . 55 . HA2 . . . fSH2 . 54 . HN . . rr_1aot 1 593 1 OR . 1 1 55 55 GLY H H . . . 1 1 54 54 LYS HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 55 GLY H . . F . 54 LYS HG2 . fSH2 . 55 . HN . . . fSH2 . 54 . HG* . . rr_1aot 1 593 2 OR . 1 1 54 54 LYS HG3 H . . . 1 1 55 55 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 54 LYS HG3 . . F . 55 GLY H . fSH2 . 54 . HG* . . . fSH2 . 55 . HN . . rr_1aot 1 594 1 . . 1 1 55 55 GLY H H . . . 1 1 54 54 LYS HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 55 GLY H . . F . 54 LYS HA . fSH2 . 55 . HN . . . fSH2 . 54 . HA . . rr_1aot 1 595 1 . . 1 1 55 55 GLY H H . . . 1 1 56 56 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 55 GLY H . . F . 56 ASP H . fSH2 . 55 . HN . . . fSH2 . 56 . HN . . rr_1aot 1 596 1 . . 1 1 55 55 GLY HA3 H . . . 1 1 56 56 ASP H H . . . . . 0.0 -1.8 2.7 . . . . . F . 55 GLY HA3 . . F . 56 ASP H . fSH2 . 55 . HA1 . . . fSH2 . 56 . HN . . rr_1aot 1 597 1 . . 1 1 55 55 GLY HA2 H . . . 1 1 56 56 ASP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 55 GLY HA2 . . F . 56 ASP H . fSH2 . 55 . HA2 . . . fSH2 . 56 . HN . . rr_1aot 1 598 1 . . 1 1 55 55 GLY HA3 H . . . 1 1 56 56 ASP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 55 GLY HA3 . . F . 56 ASP H . fSH2 . 55 . HA1 . . . fSH2 . 56 . HN . . rr_1aot 1 599 1 . . 1 1 56 56 ASP H H . . . 1 1 57 57 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 56 ASP H . . F . 57 HIS H . fSH2 . 56 . HN . . . fSH2 . 57 . HN . . rr_1aot 1 600 1 . . 1 1 56 56 ASP HA H . . . 1 1 57 57 HIS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 56 ASP HA . . F . 57 HIS H . fSH2 . 56 . HA . . . fSH2 . 57 . HN . . rr_1aot 1 601 1 . . 1 1 56 56 ASP HB3 H . . . 1 1 57 57 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 56 ASP HB3 . . F . 57 HIS H . fSH2 . 56 . HB1 . . . fSH2 . 57 . HN . . rr_1aot 1 602 1 . . 1 1 56 56 ASP HB2 H . . . 1 1 57 57 HIS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 56 ASP HB2 . . F . 57 HIS H . fSH2 . 56 . HB2 . . . fSH2 . 57 . HN . . rr_1aot 1 603 1 . . 1 1 57 57 HIS HB3 H . . . 1 1 58 58 VAL H H . . . . . 0.0 -1.8 3.5 . . . . . F . 57 HIS HB3 . . F . 58 VAL H . fSH2 . 57 . HB1 . . . fSH2 . 58 . HN . . rr_1aot 1 604 1 . . 1 1 57 57 HIS HB2 H . . . 1 1 58 58 VAL H H . . . . . 0.0 -1.8 3.5 . . . . . F . 57 HIS HB2 . . F . 58 VAL H . fSH2 . 57 . HB2 . . . fSH2 . 58 . HN . . rr_1aot 1 605 1 . . 1 1 57 57 HIS H H . . . 1 1 58 58 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 57 HIS H . . F . 58 VAL MG1 . fSH2 . 57 . HN . . . fSH2 . 58 . HG1* . . rr_1aot 1 606 1 . . 1 1 58 58 VAL HA H . . . 1 1 59 59 LYS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 58 VAL HA . . F . 59 LYS H . fSH2 . 58 . HA . . . fSH2 . 59 . HN . . rr_1aot 1 607 1 . . 1 1 58 58 VAL MG1 H . . . 1 1 59 59 LYS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 58 VAL MG1 . . F . 59 LYS H . fSH2 . 58 . HG1* . . . fSH2 . 59 . HN . . rr_1aot 1 608 1 . . 1 1 58 58 VAL MG2 H . . . 1 1 59 59 LYS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 58 VAL MG2 . . F . 59 LYS H . fSH2 . 58 . HG2* . . . fSH2 . 59 . HN . . rr_1aot 1 609 1 . . 1 1 60 60 HIS H H . . . 1 1 59 59 LYS HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 60 HIS H . . F . 59 LYS HA . fSH2 . 60 . HN . . . fSH2 . 59 . HA . . rr_1aot 1 610 1 . . 1 1 61 61 TYR H H . . . 1 1 60 60 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR H . . F . 60 HIS H . fSH2 . 61 . HN . . . fSH2 . 60 . HN . . rr_1aot 1 611 1 . . 1 1 61 61 TYR H H . . . 1 1 60 60 HIS HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 61 TYR H . . F . 60 HIS HA . fSH2 . 61 . HN . . . fSH2 . 60 . HA . . rr_1aot 1 612 1 . . 1 1 60 60 HIS HB2 H . . . 1 1 61 61 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 60 HIS HB2 . . F . 61 TYR H . fSH2 . 60 . HB2 . . . fSH2 . 61 . HN . . rr_1aot 1 613 1 . . 1 1 60 60 HIS HB3 H . . . 1 1 61 61 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 60 HIS HB3 . . F . 61 TYR H . fSH2 . 60 . HB1 . . . fSH2 . 61 . HN . . rr_1aot 1 614 1 . . 1 1 61 61 TYR H H . . . 1 1 62 62 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR H . . F . 62 LYS H . fSH2 . 61 . HN . . . fSH2 . 62 . HN . . rr_1aot 1 615 1 . . 1 1 61 61 TYR HA H . . . 1 1 62 62 LYS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 61 TYR HA . . F . 62 LYS H . fSH2 . 61 . HA . . . fSH2 . 62 . HN . . rr_1aot 1 616 1 OR . 1 1 62 62 LYS H H . . . 1 1 61 61 TYR HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 62 LYS H . . F . 61 TYR HB2 . fSH2 . 62 . HN . . . fSH2 . 61 . HB* . . rr_1aot 1 616 2 OR . 1 1 62 62 LYS H H . . . 1 1 61 61 TYR HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 62 LYS H . . F . 61 TYR HB3 . fSH2 . 62 . HN . . . fSH2 . 61 . HB* . . rr_1aot 1 617 1 . . 1 1 62 62 LYS H H . . . 1 1 63 63 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 62 LYS H . . F . 63 ILE H . fSH2 . 62 . HN . . . fSH2 . 63 . HN . . rr_1aot 1 618 1 . . 1 1 62 62 LYS HA H . . . 1 1 63 63 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 62 LYS HA . . F . 63 ILE H . fSH2 . 62 . HA . . . fSH2 . 63 . HN . . rr_1aot 1 619 1 . . 1 1 63 63 ILE H H . . . 1 1 64 64 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 63 ILE H . . F . 64 ARG H . fSH2 . 63 . HN . . . fSH2 . 64 . HN . . rr_1aot 1 620 1 . . 1 1 63 63 ILE HA H . . . 1 1 64 64 ARG H H . . . . . 0.0 -1.8 2.7 . . . . . F . 63 ILE HA . . F . 64 ARG H . fSH2 . 63 . HA . . . fSH2 . 64 . HN . . rr_1aot 1 621 1 . . 1 1 64 64 ARG H H . . . 1 1 65 65 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 64 ARG H . . F . 65 LYS H . fSH2 . 64 . HN . . . fSH2 . 65 . HN . . rr_1aot 1 622 1 . . 1 1 64 64 ARG HA H . . . 1 1 65 65 LYS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 64 ARG HA . . F . 65 LYS H . fSH2 . 64 . HA . . . fSH2 . 65 . HN . . rr_1aot 1 623 1 OR . 1 1 65 65 LYS H H . . . 1 1 64 64 ARG HD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 65 LYS H . . F . 64 ARG HD2 . fSH2 . 65 . HN . . . fSH2 . 64 . HD* . . rr_1aot 1 623 2 OR . 1 1 64 64 ARG HD3 H . . . 1 1 65 65 LYS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 64 ARG HD3 . . F . 65 LYS H . fSH2 . 64 . HD* . . . fSH2 . 65 . HN . . rr_1aot 1 624 1 . . 1 1 65 65 LYS H H . . . 1 1 66 66 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 65 LYS H . . F . 66 LEU H . fSH2 . 65 . HN . . . fSH2 . 66 . HN . . rr_1aot 1 625 1 . . 1 1 65 65 LYS H H . . . 1 1 66 66 LEU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 65 LYS H . . F . 66 LEU HA . fSH2 . 65 . HN . . . fSH2 . 66 . HA . . rr_1aot 1 626 1 . . 1 1 65 65 LYS H H . . . 1 1 66 66 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 65 LYS H . . F . 66 LEU MD2 . fSH2 . 65 . HN . . . fSH2 . 66 . HD2* . . rr_1aot 1 627 1 . . 1 1 65 65 LYS HA H . . . 1 1 66 66 LEU H H . . . . . 0.0 -1.8 2.7 . . . . . F . 65 LYS HA . . F . 66 LEU H . fSH2 . 65 . HA . . . fSH2 . 66 . HN . . rr_1aot 1 628 1 . . 1 1 65 65 LYS HG3 H . . . 1 1 66 66 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 65 LYS HG3 . . F . 66 LEU H . fSH2 . 65 . HG1 . . . fSH2 . 66 . HN . . rr_1aot 1 629 1 . . 1 1 65 65 LYS HG2 H . . . 1 1 66 66 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 65 LYS HG2 . . F . 66 LEU H . fSH2 . 65 . HG2 . . . fSH2 . 66 . HN . . rr_1aot 1 630 1 . . 1 1 66 66 LEU H H . . . 1 1 67 67 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU H . . F . 67 ASP H . fSH2 . 66 . HN . . . fSH2 . 67 . HN . . rr_1aot 1 631 1 . . 1 1 66 66 LEU HA H . . . 1 1 67 67 ASP H H . . . . . 0.0 -1.8 2.7 . . . . . F . 66 LEU HA . . F . 67 ASP H . fSH2 . 66 . HA . . . fSH2 . 67 . HN . . rr_1aot 1 632 1 OR . 1 1 67 67 ASP H H . . . 1 1 66 66 LEU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 67 ASP H . . F . 66 LEU HB2 . fSH2 . 67 . HN . . . fSH2 . 66 . HB* . . rr_1aot 1 632 2 OR . 1 1 66 66 LEU HB3 H . . . 1 1 67 67 ASP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 66 LEU HB3 . . F . 67 ASP H . fSH2 . 66 . HB* . . . fSH2 . 67 . HN . . rr_1aot 1 633 1 . . 1 1 66 66 LEU HG H . . . 1 1 67 67 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU HG . . F . 67 ASP H . fSH2 . 66 . HG . . . fSH2 . 67 . HN . . rr_1aot 1 634 1 . . 1 1 67 67 ASP H H . . . 1 1 66 66 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 67 ASP H . . F . 66 LEU MD1 . fSH2 . 67 . HN . . . fSH2 . 66 . HD1* . . rr_1aot 1 635 1 . . 1 1 67 67 ASP H H . . . 1 1 66 66 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 67 ASP H . . F . 66 LEU MD2 . fSH2 . 67 . HN . . . fSH2 . 66 . HD2* . . rr_1aot 1 636 1 . . 1 1 67 67 ASP H H . . . 1 1 68 68 ASN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 67 ASP H . . F . 68 ASN H . fSH2 . 67 . HN . . . fSH2 . 68 . HN . . rr_1aot 1 637 1 . . 1 1 67 67 ASP H H . . . 1 1 68 68 ASN HD21 H . . . . . 0.0 -1.8 5.0 . . . . . F . 67 ASP H . . F . 68 ASN HD21 . fSH2 . 67 . HN . . . fSH2 . 68 . HD21 . . rr_1aot 1 638 1 . . 1 1 67 67 ASP HA H . . . 1 1 68 68 ASN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 67 ASP HA . . F . 68 ASN H . fSH2 . 67 . HA . . . fSH2 . 68 . HN . . rr_1aot 1 639 1 . . 1 1 67 67 ASP HB3 H . . . 1 1 68 68 ASN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 67 ASP HB3 . . F . 68 ASN H . fSH2 . 67 . HB1 . . . fSH2 . 68 . HN . . rr_1aot 1 640 1 . . 1 1 67 67 ASP HB2 H . . . 1 1 68 68 ASN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 67 ASP HB2 . . F . 68 ASN H . fSH2 . 67 . HB2 . . . fSH2 . 68 . HN . . rr_1aot 1 641 1 . . 1 1 68 68 ASN H H . . . 1 1 69 69 GLY H H . . . . . 0.0 -1.8 2.7 . . . . . F . 68 ASN H . . F . 69 GLY H . fSH2 . 68 . HN . . . fSH2 . 69 . HN . . rr_1aot 1 642 1 . . 1 1 68 68 ASN H H . . . 1 1 69 69 GLY HA3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 68 ASN H . . F . 69 GLY HA3 . fSH2 . 68 . HN . . . fSH2 . 69 . HA1 . . rr_1aot 1 643 1 . . 1 1 68 68 ASN H H . . . 1 1 69 69 GLY HA2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 68 ASN H . . F . 69 GLY HA2 . fSH2 . 68 . HN . . . fSH2 . 69 . HA2 . . rr_1aot 1 644 1 . . 1 1 69 69 GLY H H . . . 1 1 68 68 ASN HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 69 GLY H . . F . 68 ASN HA . fSH2 . 69 . HN . . . fSH2 . 68 . HA . . rr_1aot 1 645 1 OR . 1 1 69 69 GLY H H . . . 1 1 68 68 ASN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 69 GLY H . . F . 68 ASN HB2 . fSH2 . 69 . HN . . . fSH2 . 68 . HB* . . rr_1aot 1 645 2 OR . 1 1 68 68 ASN HB3 H . . . 1 1 69 69 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 68 ASN HB3 . . F . 69 GLY H . fSH2 . 68 . HB* . . . fSH2 . 69 . HN . . rr_1aot 1 646 1 . . 1 1 69 69 GLY H H . . . 1 1 70 70 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 69 GLY H . . F . 70 GLY H . fSH2 . 69 . HN . . . fSH2 . 70 . HN . . rr_1aot 1 647 1 . . 1 1 69 69 GLY HA3 H . . . 1 1 70 70 GLY H H . . . . . 0.0 -1.8 2.7 . . . . . F . 69 GLY HA3 . . F . 70 GLY H . fSH2 . 69 . HA1 . . . fSH2 . 70 . HN . . rr_1aot 1 648 1 . . 1 1 70 70 GLY H H . . . 1 1 71 71 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 70 GLY H . . F . 71 TYR H . fSH2 . 70 . HN . . . fSH2 . 71 . HN . . rr_1aot 1 649 1 . . 1 1 70 70 GLY H H . . . 1 1 71 71 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 70 GLY H . . F . 71 TYR QD . fSH2 . 70 . HN . . . fSH2 . 71 . HD* . . rr_1aot 1 650 1 . . 1 1 70 70 GLY HA3 H . . . 1 1 71 71 TYR H H . . . . . 0.0 -1.8 2.7 . . . . . F . 70 GLY HA3 . . F . 71 TYR H . fSH2 . 70 . HA1 . . . fSH2 . 71 . HN . . rr_1aot 1 651 1 . . 1 1 71 71 TYR QD H . . . 1 1 72 72 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 71 TYR QD . . F . 72 TYR H . fSH2 . 71 . HD* . . . fSH2 . 72 . HN . . rr_1aot 1 652 1 . . 1 1 71 71 TYR HA H . . . 1 1 72 72 TYR H H . . . . . 0.0 -1.8 2.7 . . . . . F . 71 TYR HA . . F . 72 TYR H . fSH2 . 71 . HA . . . fSH2 . 72 . HN . . rr_1aot 1 653 1 . . 1 1 71 71 TYR HA H . . . 1 1 72 72 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR HA . . F . 72 TYR QD . fSH2 . 71 . HA . . . fSH2 . 72 . HD* . . rr_1aot 1 654 1 . . 1 1 71 71 TYR HA H . . . 1 1 72 72 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR HA . . F . 72 TYR QE . fSH2 . 71 . HA . . . fSH2 . 72 . HE* . . rr_1aot 1 655 1 . . 1 1 72 72 TYR H H . . . 1 1 71 71 TYR HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR H . . F . 71 TYR HB3 . fSH2 . 72 . HN . . . fSH2 . 71 . HB1 . . rr_1aot 1 656 1 . . 1 1 71 71 TYR HB2 H . . . 1 1 72 72 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR HB2 . . F . 72 TYR H . fSH2 . 71 . HB2 . . . fSH2 . 72 . HN . . rr_1aot 1 657 1 . . 1 1 71 71 TYR H H . . . 1 1 72 72 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR H . . F . 72 TYR H . fSH2 . 71 . HN . . . fSH2 . 72 . HN . . rr_1aot 1 658 1 . . 1 1 72 72 TYR H H . . . 1 1 73 73 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR H . . F . 73 ILE H . fSH2 . 72 . HN . . . fSH2 . 73 . HN . . rr_1aot 1 659 1 . . 1 1 72 72 TYR H H . . . 1 1 73 73 ILE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR H . . F . 73 ILE HA . fSH2 . 72 . HN . . . fSH2 . 73 . HA . . rr_1aot 1 660 1 . . 1 1 72 72 TYR QD H . . . 1 1 73 73 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QD . . F . 73 ILE H . fSH2 . 72 . HD* . . . fSH2 . 73 . HN . . rr_1aot 1 661 1 . . 1 1 72 72 TYR HA H . . . 1 1 73 73 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 72 TYR HA . . F . 73 ILE H . fSH2 . 72 . HA . . . fSH2 . 73 . HN . . rr_1aot 1 662 1 . . 1 1 72 72 TYR HB2 H . . . 1 1 73 73 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR HB2 . . F . 73 ILE H . fSH2 . 72 . HB2 . . . fSH2 . 73 . HN . . rr_1aot 1 663 1 . . 1 1 73 73 ILE H H . . . 1 1 72 72 TYR HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE H . . F . 72 TYR HB3 . fSH2 . 73 . HN . . . fSH2 . 72 . HB1 . . rr_1aot 1 664 1 . . 1 1 73 73 ILE H H . . . 1 1 74 74 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 73 ILE H . . F . 74 THR H . fSH2 . 73 . HN . . . fSH2 . 74 . HN . . rr_1aot 1 665 1 . . 1 1 73 73 ILE HA H . . . 1 1 74 74 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE HA . . F . 74 THR H . fSH2 . 73 . HA . . . fSH2 . 74 . HN . . rr_1aot 1 666 1 . . 1 1 74 74 THR MG H . . . 1 1 73 73 ILE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 74 THR MG . . F . 73 ILE HA . fSH2 . 74 . HG2* . . . fSH2 . 73 . HA . . rr_1aot 1 667 1 . . 1 1 74 74 THR H H . . . 1 1 73 73 ILE HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 74 THR H . . F . 73 ILE HB . fSH2 . 74 . HN . . . fSH2 . 73 . HB* . . rr_1aot 1 668 1 OR . 1 1 74 74 THR H H . . . 1 1 73 73 ILE HG12 H . . . . . 0.0 -1.8 5.0 . . . . . F . 74 THR H . . F . 73 ILE HG12 . fSH2 . 74 . HN . . . fSH2 . 73 . HG1* . . rr_1aot 1 668 2 OR . 1 1 74 74 THR H H . . . 1 1 73 73 ILE HG13 H . . . . . 0.0 -1.8 5.0 . . . . . F . 74 THR H . . F . 73 ILE HG13 . fSH2 . 74 . HN . . . fSH2 . 73 . HG1* . . rr_1aot 1 669 1 . . 1 1 73 73 ILE MG H . . . 1 1 74 74 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE MG . . F . 74 THR H . fSH2 . 73 . HG2* . . . fSH2 . 74 . HN . . rr_1aot 1 670 1 . . 1 1 73 73 ILE MG H . . . 1 1 74 74 THR MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE MG . . F . 74 THR MG . fSH2 . 73 . HG2* . . . fSH2 . 74 . HG2* . . rr_1aot 1 671 1 . . 1 1 73 73 ILE MD H . . . 1 1 74 74 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE MD . . F . 74 THR H . fSH2 . 73 . HD1* . . . fSH2 . 74 . HN . . rr_1aot 1 672 1 . . 1 1 74 74 THR HA H . . . 1 1 75 75 THR H H . . . . . 0.0 -1.8 2.7 . . . . . F . 74 THR HA . . F . 75 THR H . fSH2 . 74 . HA . . . fSH2 . 75 . HN . . rr_1aot 1 673 1 . . 1 1 75 75 THR H H . . . 1 1 74 74 THR HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 75 THR H . . F . 74 THR HB . fSH2 . 75 . HN . . . fSH2 . 74 . HB* . . rr_1aot 1 674 1 . . 1 1 74 74 THR MG H . . . 1 1 75 75 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 74 THR MG . . F . 75 THR H . fSH2 . 74 . HG2* . . . fSH2 . 75 . HN . . rr_1aot 1 675 1 . . 1 1 75 75 THR H H . . . 1 1 76 76 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 75 THR H . . F . 76 ARG H . fSH2 . 75 . HN . . . fSH2 . 76 . HN . . rr_1aot 1 676 1 . . 1 1 75 75 THR MG H . . . 1 1 76 76 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 75 THR MG . . F . 76 ARG H . fSH2 . 75 . HG2* . . . fSH2 . 76 . HN . . rr_1aot 1 677 1 . . 1 1 75 75 THR HA H . . . 1 1 76 76 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 75 THR HA . . F . 76 ARG H . fSH2 . 75 . HA . . . fSH2 . 76 . HN . . rr_1aot 1 678 1 . . 1 1 76 76 ARG H H . . . 1 1 77 77 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 76 ARG H . . F . 77 ALA H . fSH2 . 76 . HN . . . fSH2 . 77 . HN . . rr_1aot 1 679 1 . . 1 1 76 76 ARG H H . . . 1 1 77 77 ALA MB H . . . . . 0.0 -1.8 5.0 . . . . . F . 76 ARG H . . F . 77 ALA MB . fSH2 . 76 . HN . . . fSH2 . 77 . HB* . . rr_1aot 1 680 1 . . 1 1 76 76 ARG HA H . . . 1 1 77 77 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 76 ARG HA . . F . 77 ALA H . fSH2 . 76 . HA . . . fSH2 . 77 . HN . . rr_1aot 1 681 1 . . 1 1 77 77 ALA H H . . . 1 1 78 78 GLN HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 77 ALA H . . F . 78 GLN HA . fSH2 . 77 . HN . . . fSH2 . 78 . HA . . rr_1aot 1 682 1 . . 1 1 77 77 ALA HA H . . . 1 1 78 78 GLN H H . . . . . 0.0 -1.8 2.7 . . . . . F . 77 ALA HA . . F . 78 GLN H . fSH2 . 77 . HA . . . fSH2 . 78 . HN . . rr_1aot 1 683 1 . . 1 1 77 77 ALA MB H . . . 1 1 78 78 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 77 ALA MB . . F . 78 GLN H . fSH2 . 77 . HB* . . . fSH2 . 78 . HN . . rr_1aot 1 684 1 . . 1 1 78 78 GLN H H . . . 1 1 79 79 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 78 GLN H . . F . 79 PHE H . fSH2 . 78 . HN . . . fSH2 . 79 . HN . . rr_1aot 1 685 1 . . 1 1 78 78 GLN HA H . . . 1 1 79 79 PHE H H . . . . . 0.0 -1.8 2.7 . . . . . F . 78 GLN HA . . F . 79 PHE H . fSH2 . 78 . HA . . . fSH2 . 79 . HN . . rr_1aot 1 686 1 . . 1 1 78 78 GLN HA H . . . 1 1 79 79 PHE QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 78 GLN HA . . F . 79 PHE QD . fSH2 . 78 . HA . . . fSH2 . 79 . HD* . . rr_1aot 1 687 1 . . 1 1 78 78 GLN HG2 H . . . 1 1 79 79 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 78 GLN HG2 . . F . 79 PHE H . fSH2 . 78 . HG2 . . . fSH2 . 79 . HN . . rr_1aot 1 688 1 . . 1 1 78 78 GLN HG3 H . . . 1 1 79 79 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 78 GLN HG3 . . F . 79 PHE H . fSH2 . 78 . HG1 . . . fSH2 . 79 . HN . . rr_1aot 1 689 1 . . 1 1 78 78 GLN HB2 H . . . 1 1 79 79 PHE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 78 GLN HB2 . . F . 79 PHE H . fSH2 . 78 . HB2 . . . fSH2 . 79 . HN . . rr_1aot 1 690 1 . . 1 1 78 78 GLN HB3 H . . . 1 1 79 79 PHE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 78 GLN HB3 . . F . 79 PHE H . fSH2 . 78 . HB1 . . . fSH2 . 79 . HN . . rr_1aot 1 691 1 . . 1 1 79 79 PHE QD H . . . 1 1 80 80 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 79 PHE QD . . F . 80 GLU H . fSH2 . 79 . HD* . . . fSH2 . 80 . HN . . rr_1aot 1 692 1 . . 1 1 79 79 PHE HA H . . . 1 1 80 80 GLU H H . . . . . 0.0 -1.8 2.7 . . . . . F . 79 PHE HA . . F . 80 GLU H . fSH2 . 79 . HA . . . fSH2 . 80 . HN . . rr_1aot 1 693 1 . . 1 1 79 79 PHE H H . . . 1 1 80 80 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 79 PHE H . . F . 80 GLU H . fSH2 . 79 . HN . . . fSH2 . 80 . HN . . rr_1aot 1 694 1 OR . 1 1 80 80 GLU H H . . . 1 1 79 79 PHE HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 80 GLU H . . F . 79 PHE HB2 . fSH2 . 80 . HN . . . fSH2 . 79 . HB* . . rr_1aot 1 694 2 OR . 1 1 79 79 PHE HB3 H . . . 1 1 80 80 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 79 PHE HB3 . . F . 80 GLU H . fSH2 . 79 . HB* . . . fSH2 . 80 . HN . . rr_1aot 1 695 1 . . 1 1 80 80 GLU H H . . . 1 1 81 81 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 80 GLU H . . F . 81 THR H . fSH2 . 80 . HN . . . fSH2 . 81 . HN . . rr_1aot 1 696 1 . . 1 1 80 80 GLU HA H . . . 1 1 81 81 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 80 GLU HA . . F . 81 THR H . fSH2 . 80 . HA . . . fSH2 . 81 . HN . . rr_1aot 1 697 1 . . 1 1 81 81 THR H H . . . 1 1 80 80 GLU HG3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 81 THR H . . F . 80 GLU HG3 . fSH2 . 81 . HN . . . fSH2 . 80 . HG1 . . rr_1aot 1 698 1 . . 1 1 81 81 THR H H . . . 1 1 80 80 GLU HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 81 THR H . . F . 80 GLU HG2 . fSH2 . 81 . HN . . . fSH2 . 80 . HG2 . . rr_1aot 1 699 1 OR . 1 1 81 81 THR H H . . . 1 1 80 80 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 81 THR H . . F . 80 GLU HB2 . fSH2 . 81 . HN . . . fSH2 . 80 . HB* . . rr_1aot 1 699 2 OR . 1 1 80 80 GLU HB3 H . . . 1 1 81 81 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 80 GLU HB3 . . F . 81 THR H . fSH2 . 80 . HB* . . . fSH2 . 81 . HN . . rr_1aot 1 700 1 . . 1 1 81 81 THR H H . . . 1 1 82 82 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR H . . F . 82 LEU H . fSH2 . 81 . HN . . . fSH2 . 82 . HN . . rr_1aot 1 701 1 . . 1 1 81 81 THR HA H . . . 1 1 82 82 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 81 THR HA . . F . 82 LEU H . fSH2 . 81 . HA . . . fSH2 . 82 . HN . . rr_1aot 1 702 1 . . 1 1 81 81 THR MG H . . . 1 1 82 82 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 81 THR MG . . F . 82 LEU H . fSH2 . 81 . HG2* . . . fSH2 . 82 . HN . . rr_1aot 1 703 1 . . 1 1 81 81 THR HG1 H . . . 1 1 82 82 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HG1 . . F . 82 LEU H . fSH2 . 81 . HG1 . . . fSH2 . 82 . HN . . rr_1aot 1 704 1 . . 1 1 82 82 LEU H H . . . 1 1 83 83 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 82 LEU H . . F . 83 GLN H . fSH2 . 82 . HN . . . fSH2 . 83 . HN . . rr_1aot 1 705 1 . . 1 1 82 82 LEU H H . . . 1 1 83 83 GLN HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU H . . F . 83 GLN HA . fSH2 . 82 . HN . . . fSH2 . 83 . HA . . rr_1aot 1 706 1 . . 1 1 82 82 LEU HA H . . . 1 1 83 83 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU HA . . F . 83 GLN H . fSH2 . 82 . HA . . . fSH2 . 83 . HN . . rr_1aot 1 707 1 OR . 1 1 83 83 GLN H H . . . 1 1 82 82 LEU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 83 GLN H . . F . 82 LEU HB2 . fSH2 . 83 . HN . . . fSH2 . 82 . HB* . . rr_1aot 1 707 2 OR . 1 1 82 82 LEU HB3 H . . . 1 1 83 83 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 82 LEU HB3 . . F . 83 GLN H . fSH2 . 82 . HB* . . . fSH2 . 83 . HN . . rr_1aot 1 708 1 . . 1 1 82 82 LEU HG H . . . 1 1 83 83 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU HG . . F . 83 GLN H . fSH2 . 82 . HG . . . fSH2 . 83 . HN . . rr_1aot 1 709 1 . . 1 1 82 82 LEU MD2 H . . . 1 1 83 83 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU MD2 . . F . 83 GLN H . fSH2 . 82 . HD2* . . . fSH2 . 83 . HN . . rr_1aot 1 710 1 . . 1 1 82 82 LEU MD1 H . . . 1 1 83 83 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU MD1 . . F . 83 GLN H . fSH2 . 82 . HD1* . . . fSH2 . 83 . HN . . rr_1aot 1 711 1 . . 1 1 83 83 GLN H H . . . 1 1 84 84 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 83 GLN H . . F . 84 GLN H . fSH2 . 83 . HN . . . fSH2 . 84 . HN . . rr_1aot 1 712 1 . . 1 1 83 83 GLN HA H . . . 1 1 84 84 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 83 GLN HA . . F . 84 GLN H . fSH2 . 83 . HA . . . fSH2 . 84 . HN . . rr_1aot 1 713 1 . . 1 1 84 84 GLN H H . . . 1 1 85 85 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 84 GLN H . . F . 85 LEU H . fSH2 . 84 . HN . . . fSH2 . 85 . HN . . rr_1aot 1 714 1 . . 1 1 84 84 GLN HA H . . . 1 1 85 85 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 84 GLN HA . . F . 85 LEU H . fSH2 . 84 . HA . . . fSH2 . 85 . HN . . rr_1aot 1 715 1 OR . 1 1 85 85 LEU H H . . . 1 1 84 84 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 85 LEU H . . F . 84 GLN HB2 . fSH2 . 85 . HN . . . fSH2 . 84 . HB* . . rr_1aot 1 715 2 OR . 1 1 84 84 GLN HB3 H . . . 1 1 85 85 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 84 GLN HB3 . . F . 85 LEU H . fSH2 . 84 . HB* . . . fSH2 . 85 . HN . . rr_1aot 1 716 1 OR . 1 1 85 85 LEU H H . . . 1 1 84 84 GLN HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU H . . F . 84 GLN HG3 . fSH2 . 85 . HN . . . fSH2 . 84 . HG* . . rr_1aot 1 716 2 OR . 1 1 84 84 GLN HG2 H . . . 1 1 85 85 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 84 GLN HG2 . . F . 85 LEU H . fSH2 . 84 . HG* . . . fSH2 . 85 . HN . . rr_1aot 1 717 1 . . 1 1 85 85 LEU H H . . . 1 1 86 86 VAL HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU H . . F . 86 VAL HA . fSH2 . 85 . HN . . . fSH2 . 86 . HA . . rr_1aot 1 718 1 . . 1 1 85 85 LEU H H . . . 1 1 86 86 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU H . . F . 86 VAL MG1 . fSH2 . 85 . HN . . . fSH2 . 86 . HG1* . . rr_1aot 1 719 1 . . 1 1 85 85 LEU H H . . . 1 1 86 86 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU H . . F . 86 VAL MG2 . fSH2 . 85 . HN . . . fSH2 . 86 . HG2* . . rr_1aot 1 720 1 . . 1 1 85 85 LEU HA H . . . 1 1 86 86 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU HA . . F . 86 VAL MG1 . fSH2 . 85 . HA . . . fSH2 . 86 . HG1* . . rr_1aot 1 721 1 . . 1 1 85 85 LEU MD2 H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU MD2 . . F . 86 VAL H . fSH2 . 85 . HD2* . . . fSH2 . 86 . HN . . rr_1aot 1 722 1 . . 1 1 85 85 LEU MD1 H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 3.5 . . . . . F . 85 LEU MD1 . . F . 86 VAL H . fSH2 . 85 . HD1* . . . fSH2 . 86 . HN . . rr_1aot 1 723 1 . . 1 1 85 85 LEU MD1 H . . . 1 1 86 86 VAL HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU MD1 . . F . 86 VAL HB . fSH2 . 85 . HD1* . . . fSH2 . 86 . HB . . rr_1aot 1 724 1 . . 1 1 85 85 LEU MD1 H . . . 1 1 86 86 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU MD1 . . F . 86 VAL MG2 . fSH2 . 85 . HD1* . . . fSH2 . 86 . HG2* . . rr_1aot 1 725 1 . . 1 1 87 87 GLN HA H . . . 1 1 88 88 HIS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 87 GLN HA . . F . 88 HIS H . fSH2 . 87 . HA . . . fSH2 . 88 . HN . . rr_1aot 1 726 1 OR . 1 1 88 88 HIS H H . . . 1 1 87 87 GLN HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 88 HIS H . . F . 87 GLN HG2 . fSH2 . 88 . HN . . . fSH2 . 87 . HG* . . rr_1aot 1 726 2 OR . 1 1 87 87 GLN HG3 H . . . 1 1 88 88 HIS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 87 GLN HG3 . . F . 88 HIS H . fSH2 . 87 . HG* . . . fSH2 . 88 . HN . . rr_1aot 1 727 1 . . 1 1 88 88 HIS H H . . . 1 1 87 87 GLN HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 88 HIS H . . F . 87 GLN HB3 . fSH2 . 88 . HN . . . fSH2 . 87 . HB1 . . rr_1aot 1 728 1 . . 1 1 88 88 HIS H H . . . 1 1 87 87 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 88 HIS H . . F . 87 GLN HB2 . fSH2 . 88 . HN . . . fSH2 . 87 . HB2 . . rr_1aot 1 729 1 . . 1 1 88 88 HIS H H . . . 1 1 89 89 TYR H H . . . . . 0.0 -1.8 2.7 . . . . . F . 88 HIS H . . F . 89 TYR H . fSH2 . 88 . HN . . . fSH2 . 89 . HN . . rr_1aot 1 730 1 . . 1 1 88 88 HIS H H . . . 1 1 89 89 TYR HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 88 HIS H . . F . 89 TYR HA . fSH2 . 88 . HN . . . fSH2 . 89 . HA . . rr_1aot 1 731 1 . . 1 1 88 88 HIS H H . . . 1 1 89 89 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 88 HIS H . . F . 89 TYR QE . fSH2 . 88 . HN . . . fSH2 . 89 . HE* . . rr_1aot 1 732 1 . . 1 1 88 88 HIS HA H . . . 1 1 89 89 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 88 HIS HA . . F . 89 TYR H . fSH2 . 88 . HA . . . fSH2 . 89 . HN . . rr_1aot 1 733 1 . . 1 1 88 88 HIS HB2 H . . . 1 1 89 89 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 88 HIS HB2 . . F . 89 TYR H . fSH2 . 88 . HB2 . . . fSH2 . 89 . HN . . rr_1aot 1 734 1 . . 1 1 88 88 HIS HB3 H . . . 1 1 89 89 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 88 HIS HB3 . . F . 89 TYR H . fSH2 . 88 . HB1 . . . fSH2 . 89 . HN . . rr_1aot 1 735 1 . . 1 1 89 89 TYR H H . . . 1 1 90 90 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 89 TYR H . . F . 90 SER H . fSH2 . 89 . HN . . . fSH2 . 90 . HN . . rr_1aot 1 736 1 . . 1 1 89 89 TYR HB3 H . . . 1 1 90 90 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR HB3 . . F . 90 SER H . fSH2 . 89 . HB1* . . . fSH2 . 90 . HN . . rr_1aot 1 737 1 . . 1 1 89 89 TYR HB2 H . . . 1 1 90 90 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR HB2 . . F . 90 SER H . fSH2 . 89 . HB2* . . . fSH2 . 90 . HN . . rr_1aot 1 738 1 . . 1 1 89 89 TYR HA H . . . 1 1 90 90 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 89 TYR HA . . F . 90 SER H . fSH2 . 89 . HA . . . fSH2 . 90 . HN . . rr_1aot 1 739 1 OR . 1 1 90 90 SER H H . . . 1 1 91 91 GLU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER H . . F . 91 GLU HB2 . fSH2 . 90 . HN . . . fSH2 . 91 . HB* . . rr_1aot 1 739 2 OR . 1 1 90 90 SER H H . . . 1 1 91 91 GLU HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER H . . F . 91 GLU HB3 . fSH2 . 90 . HN . . . fSH2 . 91 . HB* . . rr_1aot 1 740 1 . . 1 1 90 90 SER H H . . . 1 1 91 91 GLU HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER H . . F . 91 GLU HG3 . fSH2 . 90 . HN . . . fSH2 . 91 . HG1 . . rr_1aot 1 741 1 . . 1 1 90 90 SER H H . . . 1 1 91 91 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER H . . F . 91 GLU HG2 . fSH2 . 90 . HN . . . fSH2 . 91 . HG2 . . rr_1aot 1 742 1 . . 1 1 90 90 SER HA H . . . 1 1 91 91 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 90 SER HA . . F . 91 GLU H . fSH2 . 90 . HA . . . fSH2 . 91 . HN . . rr_1aot 1 743 1 . . 1 1 90 90 SER HB3 H . . . 1 1 91 91 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 90 SER HB3 . . F . 91 GLU H . fSH2 . 90 . HB1 . . . fSH2 . 91 . HN . . rr_1aot 1 744 1 . . 1 1 90 90 SER HB2 H . . . 1 1 91 91 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 90 SER HB2 . . F . 91 GLU H . fSH2 . 90 . HB2 . . . fSH2 . 91 . HN . . rr_1aot 1 745 1 . . 1 1 91 91 GLU H H . . . 1 1 92 92 ARG HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 91 GLU H . . F . 92 ARG HB2 . fSH2 . 91 . HN . . . fSH2 . 92 . HB2 . . rr_1aot 1 746 1 . . 1 1 91 91 GLU H H . . . 1 1 92 92 ARG HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 91 GLU H . . F . 92 ARG HG2 . fSH2 . 91 . HN . . . fSH2 . 92 . HG2 . . rr_1aot 1 747 1 . . 1 1 91 91 GLU H H . . . 1 1 92 92 ARG HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 91 GLU H . . F . 92 ARG HG3 . fSH2 . 91 . HN . . . fSH2 . 92 . HG1 . . rr_1aot 1 748 1 . . 1 1 91 91 GLU HA H . . . 1 1 92 92 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 91 GLU HA . . F . 92 ARG H . fSH2 . 91 . HA . . . fSH2 . 92 . HN . . rr_1aot 1 749 1 OR . 1 1 92 92 ARG H H . . . 1 1 91 91 GLU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 92 ARG H . . F . 91 GLU HB2 . fSH2 . 92 . HN . . . fSH2 . 91 . HB* . . rr_1aot 1 749 2 OR . 1 1 91 91 GLU HB3 H . . . 1 1 92 92 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 91 GLU HB3 . . F . 92 ARG H . fSH2 . 91 . HB* . . . fSH2 . 92 . HN . . rr_1aot 1 750 1 . . 1 1 91 91 GLU HG3 H . . . 1 1 92 92 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 91 GLU HG3 . . F . 92 ARG H . fSH2 . 91 . HG1 . . . fSH2 . 92 . HN . . rr_1aot 1 751 1 . . 1 1 91 91 GLU HG2 H . . . 1 1 92 92 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 91 GLU HG2 . . F . 92 ARG H . fSH2 . 91 . HG2 . . . fSH2 . 92 . HN . . rr_1aot 1 752 1 . . 1 1 92 92 ARG H H . . . 1 1 93 93 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG H . . F . 93 ALA H . fSH2 . 92 . HN . . . fSH2 . 93 . HN . . rr_1aot 1 753 1 . . 1 1 93 93 ALA H H . . . 1 1 92 92 ARG HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 93 ALA H . . F . 92 ARG HA . fSH2 . 93 . HN . . . fSH2 . 92 . HA . . rr_1aot 1 754 1 . . 1 1 93 93 ALA MB H . . . 1 1 92 92 ARG HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 93 ALA MB . . F . 92 ARG HA . fSH2 . 93 . HB* . . . fSH2 . 92 . HA . . rr_1aot 1 755 1 . . 1 1 92 92 ARG HB3 H . . . 1 1 93 93 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 92 ARG HB3 . . F . 93 ALA H . fSH2 . 92 . HB1 . . . fSH2 . 93 . HN . . rr_1aot 1 756 1 . . 1 1 92 92 ARG HB2 H . . . 1 1 93 93 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 92 ARG HB2 . . F . 93 ALA H . fSH2 . 92 . HB2 . . . fSH2 . 93 . HN . . rr_1aot 1 757 1 . . 1 1 92 92 ARG HG2 H . . . 1 1 93 93 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG HG2 . . F . 93 ALA H . fSH2 . 92 . HG2 . . . fSH2 . 93 . HN . . rr_1aot 1 758 1 . . 1 1 93 93 ALA H H . . . 1 1 94 94 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 93 ALA H . . F . 94 ALA H . fSH2 . 93 . HN . . . fSH2 . 94 . HN . . rr_1aot 1 759 1 . . 1 1 94 94 ALA H H . . . 1 1 93 93 ALA HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 94 ALA H . . F . 93 ALA HA . fSH2 . 94 . HN . . . fSH2 . 93 . HA . . rr_1aot 1 760 1 . . 1 1 93 93 ALA MB H . . . 1 1 94 94 ALA HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 93 ALA MB . . F . 94 ALA HA . fSH2 . 93 . HB* . . . fSH2 . 94 . HA . . rr_1aot 1 761 1 . . 1 1 95 95 GLY HA3 H . . . 1 1 94 94 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 95 GLY HA3 . . F . 94 ALA H . fSH2 . 95 . HA1 . . . fSH2 . 94 . HN . . rr_1aot 1 762 1 . . 1 1 95 95 GLY HA2 H . . . 1 1 94 94 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 95 GLY HA2 . . F . 94 ALA H . fSH2 . 95 . HA2 . . . fSH2 . 94 . HN . . rr_1aot 1 763 1 . . 1 1 95 95 GLY H H . . . 1 1 94 94 ALA HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 95 GLY H . . F . 94 ALA HA . fSH2 . 95 . HN . . . fSH2 . 94 . HA . . rr_1aot 1 764 1 . . 1 1 95 95 GLY H H . . . 1 1 96 96 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 95 GLY H . . F . 96 LEU H . fSH2 . 95 . HN . . . fSH2 . 96 . HN . . rr_1aot 1 765 1 . . 1 1 95 95 GLY H H . . . 1 1 96 96 LEU HG H . . . . . 0.0 -1.8 5.0 . . . . . F . 95 GLY H . . F . 96 LEU HG . fSH2 . 95 . HN . . . fSH2 . 96 . HG . . rr_1aot 1 766 1 . . 1 1 95 95 GLY HA3 H . . . 1 1 96 96 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 95 GLY HA3 . . F . 96 LEU H . fSH2 . 95 . HA1 . . . fSH2 . 96 . HN . . rr_1aot 1 767 1 . . 1 1 95 95 GLY HA2 H . . . 1 1 96 96 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 95 GLY HA2 . . F . 96 LEU H . fSH2 . 95 . HA2 . . . fSH2 . 96 . HN . . rr_1aot 1 768 1 . . 1 1 96 96 LEU H H . . . 1 1 97 97 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU H . . F . 97 SER H . fSH2 . 96 . HN . . . fSH2 . 97 . HN . . rr_1aot 1 769 1 OR . 1 1 97 97 SER H H . . . 1 1 96 96 LEU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 97 SER H . . F . 96 LEU HB2 . fSH2 . 97 . HN . . . fSH2 . 96 . HB* . . rr_1aot 1 769 2 OR . 1 1 97 97 SER H H . . . 1 1 96 96 LEU HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 97 SER H . . F . 96 LEU HB3 . fSH2 . 97 . HN . . . fSH2 . 96 . HB* . . rr_1aot 1 770 1 . . 1 1 97 97 SER H H . . . 1 1 96 96 LEU HG H . . . . . 0.0 -1.8 3.5 . . . . . F . 97 SER H . . F . 96 LEU HG . fSH2 . 97 . HN . . . fSH2 . 96 . HG . . rr_1aot 1 771 1 . . 1 1 96 96 LEU MD2 H . . . 1 1 97 97 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU MD2 . . F . 97 SER H . fSH2 . 96 . HD2* . . . fSH2 . 97 . HN . . rr_1aot 1 772 1 . . 1 1 97 97 SER H H . . . 1 1 96 96 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 97 SER H . . F . 96 LEU MD1 . fSH2 . 97 . HN . . . fSH2 . 96 . HD1* . . rr_1aot 1 773 1 . . 1 1 97 97 SER H H . . . 1 1 96 96 LEU HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 97 SER H . . F . 96 LEU HA . fSH2 . 97 . HN . . . fSH2 . 96 . HA . . rr_1aot 1 774 1 . . 1 1 97 97 SER H H . . . 1 1 98 98 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 97 SER H . . F . 98 SER H . fSH2 . 97 . HN . . . fSH2 . 98 . HN . . rr_1aot 1 775 1 . . 1 1 97 97 SER HA H . . . 1 1 98 98 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 97 SER HA . . F . 98 SER H . fSH2 . 97 . HA . . . fSH2 . 98 . HN . . rr_1aot 1 776 1 OR . 1 1 98 98 SER H H . . . 1 1 97 97 SER HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 98 SER H . . F . 97 SER HB2 . fSH2 . 98 . HN . . . fSH2 . 97 . HB* . . rr_1aot 1 776 2 OR . 1 1 97 97 SER HB3 H . . . 1 1 98 98 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 97 SER HB3 . . F . 98 SER H . fSH2 . 97 . HB* . . . fSH2 . 98 . HN . . rr_1aot 1 777 1 . . 1 1 98 98 SER H H . . . 1 1 99 99 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 98 SER H . . F . 99 ARG H . fSH2 . 98 . HN . . . fSH2 . 99 . HN . . rr_1aot 1 778 1 . . 1 1 98 98 SER HA H . . . 1 1 99 99 ARG H H . . . . . 0.0 -1.8 2.7 . . . . . F . 98 SER HA . . F . 99 ARG H . fSH2 . 98 . HA . . . fSH2 . 99 . HN . . rr_1aot 1 779 1 . . 1 1 98 98 SER HB3 H . . . 1 1 99 99 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 98 SER HB3 . . F . 99 ARG H . fSH2 . 98 . HB1 . . . fSH2 . 99 . HN . . rr_1aot 1 780 1 . . 1 1 98 98 SER HB2 H . . . 1 1 99 99 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 98 SER HB2 . . F . 99 ARG H . fSH2 . 98 . HB2 . . . fSH2 . 99 . HN . . rr_1aot 1 781 1 . . 1 1 99 99 ARG HA H . . . 1 1 100 100 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 99 ARG HA . . F . 100 LEU H . fSH2 . 99 . HA . . . fSH2 . 100 . HN . . rr_1aot 1 782 1 OR . 1 1 100 100 LEU H H . . . 1 1 99 99 ARG HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 100 LEU H . . F . 99 ARG HB2 . fSH2 . 100 . HN . . . fSH2 . 99 . HB* . . rr_1aot 1 782 2 OR . 1 1 100 100 LEU H H . . . 1 1 99 99 ARG HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 100 LEU H . . F . 99 ARG HB3 . fSH2 . 100 . HN . . . fSH2 . 99 . HB* . . rr_1aot 1 783 1 . . 1 1 101 101 VAL HA H . . . 1 1 102 102 VAL HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 101 VAL HA . . F . 102 VAL HA . fSH2 . 101 . HA . . . fSH2 . 102 . HA . . rr_1aot 1 784 1 . . 1 1 101 101 VAL HA H . . . 1 1 102 102 VAL HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 101 VAL HA . . F . 102 VAL HB . fSH2 . 101 . HA . . . fSH2 . 102 . HB . . rr_1aot 1 785 1 . . 1 1 101 101 VAL HB H . . . 1 1 102 102 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 101 VAL HB . . F . 102 VAL H . fSH2 . 101 . HB* . . . fSH2 . 102 . HN . . rr_1aot 1 786 1 . . 1 1 101 101 VAL MG1 H . . . 1 1 102 102 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 101 VAL MG1 . . F . 102 VAL H . fSH2 . 101 . HG1* . . . fSH2 . 102 . HN . . rr_1aot 1 787 1 . . 1 1 104 104 SER H H . . . 1 1 103 103 PRO HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 104 SER H . . F . 103 PRO HA . fSH2 . 104 . HN . . . fSH2 . 103 . HA . . rr_1aot 1 788 1 . . 1 1 104 104 SER HA H . . . 1 1 105 105 HIS H H . . . . . 0.0 -1.8 2.7 . . . . . F . 104 SER HA . . F . 105 HIS H . fSH2 . 104 . HA . . . fSH2 . 105 . HN . . rr_1aot 1 789 1 . . 1 1 104 104 SER HB2 H . . . 1 1 105 105 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 104 SER HB2 . . F . 105 HIS H . fSH2 . 104 . HB2 . . . fSH2 . 105 . HN . . rr_1aot 1 790 1 . . 1 1 105 105 HIS H H . . . 1 1 106 106 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 105 HIS H . . F . 106 LYS H . fSH2 . 105 . HN . . . fSH2 . 106 . HN . . rr_1aot 1 791 1 . . 1 1 105 105 HIS HD2 H . . . 1 1 106 106 LYS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 105 HIS HD2 . . F . 106 LYS H . fSH2 . 105 . HD2 . . . fSH2 . 106 . HN . . rr_1aot 1 792 1 . . 1 1 2 2 ILE HA H . . . 1 1 7 7 TRP HH2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 2 ILE HA . . F . 7 TRP HH2 . fSH2 . 2 . HA . . . fSH2 . 7 . HH2 . . rr_1aot 1 793 1 . . 1 1 2 2 ILE MG H . . . 1 1 7 7 TRP HH2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 2 ILE MG . . F . 7 TRP HH2 . fSH2 . 2 . HG2* . . . fSH2 . 7 . HH2 . . rr_1aot 1 794 1 . . 1 1 3 3 GLN H H . . . 1 1 7 7 TRP HH2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 3 GLN H . . F . 7 TRP HH2 . fSH2 . 3 . HN . . . fSH2 . 7 . HH2 . . rr_1aot 1 795 1 . . 1 1 4 4 ALA MB H . . . 1 1 8 8 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 4 ALA MB . . F . 8 TYR QD . fSH2 . 4 . HB* . . . fSH2 . 8 . HD* . . rr_1aot 1 796 1 . . 1 1 6 6 GLU HA H . . . 1 1 8 8 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 6 GLU HA . . F . 8 TYR H . fSH2 . 6 . HA* . . . fSH2 . 8 . HN* . . rr_1aot 1 797 1 . . 1 1 7 7 TRP H H . . . 1 1 9 9 PHE QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP H . . F . 9 PHE QD . fSH2 . 7 . HN . . . fSH2 . 9 . HD* . . rr_1aot 1 798 1 . . 1 1 8 8 TYR QD H . . . 1 1 10 10 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR QD . . F . 10 GLY H . fSH2 . 8 . HD* . . . fSH2 . 10 . HN* . . rr_1aot 1 799 1 . . 1 1 10 10 GLY H H . . . 1 1 8 8 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 10 GLY H . . F . 8 TYR QE . fSH2 . 10 . HN* . . . fSH2 . 8 . HE* . . rr_1aot 1 800 1 . . 1 1 10 10 GLY HA2 H . . . 1 1 8 8 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 10 GLY HA2 . . F . 8 TYR QE . fSH2 . 10 . HA2 . . . fSH2 . 8 . HE* . . rr_1aot 1 801 1 . . 1 1 10 10 GLY HA3 H . . . 1 1 8 8 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 10 GLY HA3 . . F . 8 TYR QE . fSH2 . 10 . HA1 . . . fSH2 . 8 . HE* . . rr_1aot 1 802 1 . . 1 1 8 8 TYR HB2 H . . . 1 1 10 10 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR HB2 . . F . 10 GLY H . fSH2 . 8 . HB2 . . . fSH2 . 10 . HN* . . rr_1aot 1 803 1 . . 1 1 11 11 LYS H H . . . 1 1 8 8 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 11 LYS H . . F . 8 TYR QE . fSH2 . 11 . HN* . . . fSH2 . 8 . HE* . . rr_1aot 1 804 1 . . 1 1 9 9 PHE H H . . . 1 1 12 12 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE H . . F . 12 LEU MD2 . fSH2 . 9 . HN* . . . fSH2 . 12 . HD2* . . rr_1aot 1 805 1 . . 1 1 9 9 PHE HB3 H . . . 1 1 12 12 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE HB3 . . F . 12 LEU H . fSH2 . 9 . HB1 . . . fSH2 . 12 . HN . . rr_1aot 1 806 1 . . 1 1 9 9 PHE HB3 H . . . 1 1 12 12 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE HB3 . . F . 12 LEU MD2 . fSH2 . 9 . HB1 . . . fSH2 . 12 . HD2* . . rr_1aot 1 807 1 . . 1 1 9 9 PHE HB2 H . . . 1 1 12 12 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE HB2 . . F . 12 LEU H . fSH2 . 9 . HB2 . . . fSH2 . 12 . HN . . rr_1aot 1 808 1 . . 1 1 9 9 PHE QD H . . . 1 1 12 12 LEU MD2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 9 PHE QD . . F . 12 LEU MD2 . fSH2 . 9 . HD* . . . fSH2 . 12 . HD2* . . rr_1aot 1 809 1 . . 1 1 10 10 GLY HA2 H . . . 1 1 12 12 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 10 GLY HA2 . . F . 12 LEU H . fSH2 . 10 . HA2* . . . fSH2 . 12 . HN* . . rr_1aot 1 810 1 . . 1 1 10 10 GLY H H . . . 1 1 12 12 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 10 GLY H . . F . 12 LEU MD2 . fSH2 . 10 . HN . . . fSH2 . 12 . HD2* . . rr_1aot 1 811 1 . . 1 1 16 16 ASP HB2 H . . . 1 1 12 12 LEU HG H . . . . . 0.0 -1.8 5.0 . . . . . F . 16 ASP HB2 . . F . 12 LEU HG . fSH2 . 16 . HB2 . . . fSH2 . 12 . HG . . rr_1aot 1 812 1 . . 1 1 16 16 ASP HB3 H . . . 1 1 12 12 LEU HG H . . . . . 0.0 -1.8 5.0 . . . . . F . 16 ASP HB3 . . F . 12 LEU HG . fSH2 . 16 . HB1 . . . fSH2 . 12 . HG . . rr_1aot 1 813 1 . . 1 1 12 12 LEU MD1 H . . . 1 1 16 16 ASP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 12 LEU MD1 . . F . 16 ASP H . fSH2 . 12 . HD1* . . . fSH2 . 16 . HN* . . rr_1aot 1 814 1 . . 1 1 12 12 LEU MD1 H . . . 1 1 16 16 ASP HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 12 LEU MD1 . . F . 16 ASP HB2 . fSH2 . 12 . HD1* . . . fSH2 . 16 . HB2 . . rr_1aot 1 815 1 . . 1 1 12 12 LEU MD1 H . . . 1 1 16 16 ASP HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 12 LEU MD1 . . F . 16 ASP HB3 . fSH2 . 12 . HD1* . . . fSH2 . 16 . HB1 . . rr_1aot 1 816 1 . . 1 1 12 12 LEU MD2 H . . . 1 1 16 16 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 12 LEU MD2 . . F . 16 ASP H . fSH2 . 12 . HD2* . . . fSH2 . 16 . HN* . . rr_1aot 1 817 1 . . 1 1 13 13 GLY H H . . . 1 1 16 16 ASP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 13 GLY H . . F . 16 ASP HB2 . fSH2 . 13 . HN* . . . fSH2 . 16 . HB2* . . rr_1aot 1 818 1 . . 1 1 13 13 GLY H H . . . 1 1 16 16 ASP HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 13 GLY H . . F . 16 ASP HB3 . fSH2 . 13 . HN* . . . fSH2 . 16 . HB1* . . rr_1aot 1 819 1 . . 1 1 13 13 GLY H H . . . 1 1 16 16 ASP H H . . . . . 0.0 -1.8 3.5 . . . . . F . 13 GLY H . . F . 16 ASP H . fSH2 . 13 . HN* . . . fSH2 . 16 . HN* . . rr_1aot 1 820 1 . . 1 1 13 13 GLY H H . . . 1 1 17 17 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 13 GLY H . . F . 17 ALA H . fSH2 . 13 . HN* . . . fSH2 . 17 . HN* . . rr_1aot 1 821 1 . . 1 1 16 16 ASP H H . . . 1 1 14 14 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 16 ASP H . . F . 14 ARG H . fSH2 . 16 . HN* . . . fSH2 . 14 . HN* . . rr_1aot 1 822 1 . . 1 1 17 17 ALA MB H . . . 1 1 14 14 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 17 ALA MB . . F . 14 ARG H . fSH2 . 17 . HB* . . . fSH2 . 14 . HN* . . rr_1aot 1 823 1 . . 1 1 16 16 ASP H H . . . 1 1 14 14 ARG HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 16 ASP H . . F . 14 ARG HA . fSH2 . 16 . HN* . . . fSH2 . 14 . HA* . . rr_1aot 1 824 1 . . 1 1 17 17 ALA H H . . . 1 1 14 14 ARG HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 17 ALA H . . F . 14 ARG HA . fSH2 . 17 . HN* . . . fSH2 . 14 . HA* . . rr_1aot 1 825 1 . . 1 1 17 17 ALA MB H . . . 1 1 14 14 ARG HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 17 ALA MB . . F . 14 ARG HA . fSH2 . 17 . HB* . . . fSH2 . 14 . HA* . . rr_1aot 1 826 1 OR . 1 1 14 14 ARG HB2 H . . . 1 1 18 18 GLU HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 14 ARG HB2 . . F . 18 GLU HG3 . fSH2 . 14 . HB* . . . fSH2 . 18 . HG* . . rr_1aot 1 826 2 OR . 1 1 14 14 ARG HB3 H . . . 1 1 18 18 GLU HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 14 ARG HB3 . . F . 18 GLU HG3 . fSH2 . 14 . HB* . . . fSH2 . 18 . HG* . . rr_1aot 1 826 3 OR . 1 1 18 18 GLU HG2 H . . . 1 1 14 14 ARG HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 18 GLU HG2 . . F . 14 ARG HB2 . fSH2 . 18 . HG* . . . fSH2 . 14 . HB* . . rr_1aot 1 826 4 OR . 1 1 14 14 ARG HB3 H . . . 1 1 18 18 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 14 ARG HB3 . . F . 18 GLU HG2 . fSH2 . 14 . HB* . . . fSH2 . 18 . HG* . . rr_1aot 1 827 1 . . 1 1 15 15 LYS HA H . . . 1 1 17 17 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 15 LYS HA . . F . 17 ALA H . fSH2 . 15 . HA* . . . fSH2 . 17 . HN* . . rr_1aot 1 828 1 . . 1 1 16 16 ASP H H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 16 ASP H . . F . 19 ARG H . fSH2 . 16 . HN . . . fSH2 . 19 . HN* . . rr_1aot 1 829 1 . . 1 1 16 16 ASP HA H . . . 1 1 18 18 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 16 ASP HA . . F . 18 GLU H . fSH2 . 16 . HA* . . . fSH2 . 18 . HN* . . rr_1aot 1 830 1 . . 1 1 16 16 ASP HA H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 16 ASP HA . . F . 19 ARG H . fSH2 . 16 . HA* . . . fSH2 . 19 . HN* . . rr_1aot 1 831 1 OR . 1 1 16 16 ASP HA H . . . 1 1 19 19 ARG HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 16 ASP HA . . F . 19 ARG HB2 . fSH2 . 16 . HA* . . . fSH2 . 19 . HB* . . rr_1aot 1 831 2 OR . 1 1 16 16 ASP HA H . . . 1 1 19 19 ARG HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 16 ASP HA . . F . 19 ARG HB3 . fSH2 . 16 . HA* . . . fSH2 . 19 . HB* . . rr_1aot 1 832 1 OR . 1 1 16 16 ASP HA H . . . 1 1 19 19 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 16 ASP HA . . F . 19 ARG HD2 . fSH2 . 16 . HA* . . . fSH2 . 19 . HD* . . rr_1aot 1 832 2 OR . 1 1 16 16 ASP HA H . . . 1 1 19 19 ARG HD3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 16 ASP HA . . F . 19 ARG HD3 . fSH2 . 16 . HA* . . . fSH2 . 19 . HD* . . rr_1aot 1 833 1 . . 1 1 16 16 ASP HA H . . . 1 1 20 20 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 16 ASP HA . . F . 20 GLN H . fSH2 . 16 . HA* . . . fSH2 . 20 . HN* . . rr_1aot 1 834 1 . . 1 1 17 17 ALA H H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 17 ALA H . . F . 19 ARG H . fSH2 . 17 . HN* . . . fSH2 . 19 . HN* . . rr_1aot 1 835 1 . . 1 1 17 17 ALA MB H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 17 ALA MB . . F . 19 ARG H . fSH2 . 17 . HB* . . . fSH2 . 19 . HN* . . rr_1aot 1 836 1 OR . 1 1 18 18 GLU HB3 H . . . 1 1 22 22 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 18 GLU HB3 . . F . 22 LEU H . fSH2 . 18 . HB* . . . fSH2 . 22 . HN* . . rr_1aot 1 836 2 OR . 1 1 22 22 LEU H H . . . 1 1 18 18 GLU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 22 LEU H . . F . 18 GLU HB2 . fSH2 . 22 . HN* . . . fSH2 . 18 . HB* . . rr_1aot 1 837 1 . . 1 1 19 19 ARG H H . . . 1 1 21 21 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG H . . F . 21 LEU H . fSH2 . 19 . HN* . . . fSH2 . 21 . HN* . . rr_1aot 1 838 1 . . 1 1 20 20 GLN H H . . . 1 1 22 22 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 20 GLN H . . F . 22 LEU H . fSH2 . 20 . HN* . . . fSH2 . 22 . HN* . . rr_1aot 1 839 1 . . 1 1 21 21 LEU H H . . . 1 1 23 23 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 21 LEU H . . F . 23 SER H . fSH2 . 21 . HN* . . . fSH2 . 23 . HN* . . rr_1aot 1 840 1 . . 1 1 26 26 ASN H H . . . 1 1 24 24 PHE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 26 ASN H . . F . 24 PHE HA . fSH2 . 26 . HN* . . . fSH2 . 24 . HA* . . rr_1aot 1 841 1 . . 1 1 26 26 ASN HA H . . . 1 1 30 30 THR MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 26 ASN HA . . F . 30 THR MG . fSH2 . 26 . HA . . . fSH2 . 30 . HG2* . . rr_1aot 1 842 1 . . 1 1 26 26 ASN H H . . . 1 1 30 30 THR MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 26 ASN H . . F . 30 THR MG . fSH2 . 26 . HN . . . fSH2 . 30 . HG2* . . rr_1aot 1 843 1 . . 1 1 38 38 THR H H . . . 1 1 36 36 SER HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 38 THR H . . F . 36 SER HB2 . fSH2 . 38 . HN* . . . fSH2 . 36 . HB2* . . rr_1aot 1 844 1 . . 1 1 39 39 THR H H . . . 1 1 36 36 SER HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 39 THR H . . F . 36 SER HB2 . fSH2 . 39 . HN* . . . fSH2 . 36 . HB2* . . rr_1aot 1 845 1 . . 1 1 39 39 THR H H . . . 1 1 36 36 SER HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 39 THR H . . F . 36 SER HB3 . fSH2 . 39 . HN* . . . fSH2 . 36 . HB1* . . rr_1aot 1 846 1 . . 1 1 36 36 SER HA H . . . 1 1 38 38 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 36 SER HA . . F . 38 THR H . fSH2 . 36 . HA* . . . fSH2 . 38 . HN* . . rr_1aot 1 847 1 . . 1 1 37 37 GLU H H . . . 1 1 39 39 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 37 GLU H . . F . 39 THR H . fSH2 . 37 . HN* . . . fSH2 . 39 . HN* . . rr_1aot 1 848 1 OR . 1 1 39 39 THR H H . . . 1 1 37 37 GLU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 39 THR H . . F . 37 GLU HB2 . fSH2 . 39 . HN* . . . fSH2 . 37 . HB* . . rr_1aot 1 848 2 OR . 1 1 37 37 GLU HB3 H . . . 1 1 39 39 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 37 GLU HB3 . . F . 39 THR H . fSH2 . 37 . HB* . . . fSH2 . 39 . HN* . . rr_1aot 1 849 1 . . 1 1 41 41 GLY HA2 H . . . 1 1 38 38 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 41 GLY HA2 . . F . 38 THR H . fSH2 . 41 . HA2* . . . fSH2 . 38 . HN* . . rr_1aot 1 850 1 . . 1 1 38 38 THR MG H . . . 1 1 40 40 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 38 THR MG . . F . 40 LYS H . fSH2 . 38 . HG2* . . . fSH2 . 40 . HN* . . rr_1aot 1 851 1 . . 1 1 38 38 THR MG H . . . 1 1 41 41 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 38 THR MG . . F . 41 GLY H . fSH2 . 38 . HG2* . . . fSH2 . 41 . HN* . . rr_1aot 1 852 1 . . 1 1 39 39 THR H H . . . 1 1 42 42 ALA MB H . . . . . 0.0 -1.8 3.5 . . . . . F . 39 THR H . . F . 42 ALA MB . fSH2 . 39 . HN* . . . fSH2 . 42 . HB* . . rr_1aot 1 853 1 . . 1 1 39 39 THR MG H . . . 1 1 41 41 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 39 THR MG . . F . 41 GLY H . fSH2 . 39 . HG2* . . . fSH2 . 41 . HN* . . rr_1aot 1 854 1 . . 1 1 39 39 THR MG H . . . 1 1 42 42 ALA H H . . . . . 0.0 -1.8 2.7 . . . . . F . 39 THR MG . . F . 42 ALA H . fSH2 . 39 . HG2* . . . fSH2 . 42 . HN* . . rr_1aot 1 855 1 . . 1 1 40 40 LYS H H . . . 1 1 42 42 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 40 LYS H . . F . 42 ALA H . fSH2 . 40 . HN . . . fSH2 . 42 . HN* . . rr_1aot 1 856 1 OR . 1 1 42 42 ALA H H . . . 1 1 40 40 LYS HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 42 ALA H . . F . 40 LYS HB2 . fSH2 . 42 . HN* . . . fSH2 . 40 . HB* . . rr_1aot 1 856 2 OR . 1 1 40 40 LYS HB3 H . . . 1 1 42 42 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 40 LYS HB3 . . F . 42 ALA H . fSH2 . 40 . HB* . . . fSH2 . 42 . HN* . . rr_1aot 1 857 1 . . 1 1 53 53 MET H H . . . 1 1 50 50 TRP HE1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET H . . F . 50 TRP HE1 . fSH2 . 53 . HN . . . fSH2 . 50 . HE1 . . rr_1aot 1 858 1 . . 1 1 50 50 TRP HE3 H . . . 1 1 52 52 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HE3 . . F . 52 ASP H . fSH2 . 50 . HE3 . . . fSH2 . 52 . HN . . rr_1aot 1 859 1 . . 1 1 50 50 TRP HH2 H . . . 1 1 52 52 ASP HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 50 TRP HH2 . . F . 52 ASP HA . fSH2 . 50 . HH2 . . . fSH2 . 52 . HA . . rr_1aot 1 860 1 . . 1 1 52 52 ASP H H . . . 1 1 50 50 TRP HH2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 52 ASP H . . F . 50 TRP HH2 . fSH2 . 52 . HN . . . fSH2 . 50 . HH2 . . rr_1aot 1 861 1 . . 1 1 50 50 TRP HH2 H . . . 1 1 52 52 ASP HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 50 TRP HH2 . . F . 52 ASP HB3 . fSH2 . 50 . HH2 . . . fSH2 . 52 . HB1 . . rr_1aot 1 862 1 . . 1 1 50 50 TRP HH2 H . . . 1 1 52 52 ASP HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 50 TRP HH2 . . F . 52 ASP HB2 . fSH2 . 50 . HH2 . . . fSH2 . 52 . HB2 . . rr_1aot 1 863 1 . . 1 1 52 52 ASP HA H . . . 1 1 50 50 TRP HZ2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 52 ASP HA . . F . 50 TRP HZ2 . fSH2 . 52 . HA . . . fSH2 . 50 . HZ2 . . rr_1aot 1 864 1 . . 1 1 52 52 ASP H H . . . 1 1 50 50 TRP HZ2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 52 ASP H . . F . 50 TRP HZ2 . fSH2 . 52 . HN . . . fSH2 . 50 . HZ2 . . rr_1aot 1 865 1 . . 1 1 52 52 ASP HB3 H . . . 1 1 50 50 TRP HZ2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 52 ASP HB3 . . F . 50 TRP HZ2 . fSH2 . 52 . HB1 . . . fSH2 . 50 . HZ2 . . rr_1aot 1 866 1 . . 1 1 52 52 ASP HB2 H . . . 1 1 50 50 TRP HZ2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 52 ASP HB2 . . F . 50 TRP HZ2 . fSH2 . 52 . HB2 . . . fSH2 . 50 . HZ2 . . rr_1aot 1 867 1 . . 1 1 50 50 TRP HZ3 H . . . 1 1 52 52 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HZ3 . . F . 52 ASP H . fSH2 . 50 . HZ3 . . . fSH2 . 52 . HN . . rr_1aot 1 868 1 . . 1 1 50 50 TRP HZ3 H . . . 1 1 52 52 ASP HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HZ3 . . F . 52 ASP HA . fSH2 . 50 . HZ3 . . . fSH2 . 52 . HA . . rr_1aot 1 869 1 . . 1 1 51 51 ASP H H . . . 1 1 53 53 MET H H . . . . . 0.0 -1.8 5.0 . . . . . F . 51 ASP H . . F . 53 MET H . fSH2 . 51 . HN . . . fSH2 . 53 . HN . . rr_1aot 1 870 1 . . 1 1 51 51 ASP H H . . . 1 1 55 55 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 51 ASP H . . F . 55 GLY H . fSH2 . 51 . HN . . . fSH2 . 55 . HN . . rr_1aot 1 871 1 OR . 1 1 51 51 ASP H H . . . 1 1 54 54 LYS HG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 51 ASP H . . F . 54 LYS HG2 . fSH2 . 51 . HN . . . fSH2 . 54 . HG* . . rr_1aot 1 871 2 OR . 1 1 51 51 ASP H H . . . 1 1 54 54 LYS HG3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 51 ASP H . . F . 54 LYS HG3 . fSH2 . 51 . HN . . . fSH2 . 54 . HG* . . rr_1aot 1 872 1 . . 1 1 51 51 ASP H H . . . 1 1 54 54 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 51 ASP H . . F . 54 LYS H . fSH2 . 51 . HN . . . fSH2 . 54 . HN . . rr_1aot 1 873 1 OR . 1 1 52 52 ASP H H . . . 1 1 54 54 LYS HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 52 ASP H . . F . 54 LYS HG2 . fSH2 . 52 . HN . . . fSH2 . 54 . HG* . . rr_1aot 1 873 2 OR . 1 1 54 54 LYS HG3 H . . . 1 1 52 52 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 54 LYS HG3 . . F . 52 ASP H . fSH2 . 54 . HG* . . . fSH2 . 52 . HN . . rr_1aot 1 874 1 . . 1 1 53 53 MET H H . . . 1 1 55 55 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 53 MET H . . F . 55 GLY H . fSH2 . 53 . HN . . . fSH2 . 55 . HN . . rr_1aot 1 875 1 . . 1 1 53 53 MET HA H . . . 1 1 55 55 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET HA . . F . 55 GLY H . fSH2 . 53 . HA . . . fSH2 . 55 . HN . . rr_1aot 1 876 1 . . 1 1 53 53 MET ME H . . . 1 1 55 55 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET ME . . F . 55 GLY H . fSH2 . 53 . HE* . . . fSH2 . 55 . HN . . rr_1aot 1 877 1 . . 1 1 58 58 VAL MG1 H . . . 1 1 60 60 HIS HE1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG1 . . F . 60 HIS HE1 . fSH2 . 58 . HG1* . . . fSH2 . 60 . HE1 . . rr_1aot 1 878 1 . . 1 1 58 58 VAL MG2 H . . . 1 1 60 60 HIS HE1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 58 VAL MG2 . . F . 60 HIS HE1 . fSH2 . 58 . HG2* . . . fSH2 . 60 . HE1 . . rr_1aot 1 879 1 . . 1 1 65 65 LYS HG3 H . . . 1 1 69 69 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 65 LYS HG3 . . F . 69 GLY H . fSH2 . 65 . HG1 . . . fSH2 . 69 . HN . . rr_1aot 1 880 1 . . 1 1 65 65 LYS HG2 H . . . 1 1 69 69 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 65 LYS HG2 . . F . 69 GLY H . fSH2 . 65 . HG2 . . . fSH2 . 69 . HN . . rr_1aot 1 881 1 . . 1 1 66 66 LEU H H . . . 1 1 70 70 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU H . . F . 70 GLY H . fSH2 . 66 . HN . . . fSH2 . 70 . HN . . rr_1aot 1 882 1 . . 1 1 66 66 LEU H H . . . 1 1 70 70 GLY HA3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU H . . F . 70 GLY HA3 . fSH2 . 66 . HN . . . fSH2 . 70 . HA1 . . rr_1aot 1 883 1 . . 1 1 66 66 LEU H H . . . 1 1 70 70 GLY HA2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU H . . F . 70 GLY HA2 . fSH2 . 66 . HN . . . fSH2 . 70 . HA2 . . rr_1aot 1 884 1 . . 1 1 66 66 LEU HA H . . . 1 1 68 68 ASN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 66 LEU HA . . F . 68 ASN H . fSH2 . 66 . HA . . . fSH2 . 68 . HN . . rr_1aot 1 885 1 OR . 1 1 68 68 ASN H H . . . 1 1 66 66 LEU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 68 ASN H . . F . 66 LEU HB2 . fSH2 . 68 . HN . . . fSH2 . 66 . HB* . . rr_1aot 1 885 2 OR . 1 1 66 66 LEU HB3 H . . . 1 1 68 68 ASN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 66 LEU HB3 . . F . 68 ASN H . fSH2 . 66 . HB* . . . fSH2 . 68 . HN . . rr_1aot 1 886 1 . . 1 1 66 66 LEU HG H . . . 1 1 68 68 ASN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU HG . . F . 68 ASN H . fSH2 . 66 . HG . . . fSH2 . 68 . HN . . rr_1aot 1 887 1 . . 1 1 66 66 LEU HG H . . . 1 1 69 69 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU HG . . F . 69 GLY H . fSH2 . 66 . HG . . . fSH2 . 69 . HN . . rr_1aot 1 888 1 . . 1 1 68 68 ASN H H . . . 1 1 66 66 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 68 ASN H . . F . 66 LEU MD1 . fSH2 . 68 . HN . . . fSH2 . 66 . HD1* . . rr_1aot 1 889 1 . . 1 1 68 68 ASN H H . . . 1 1 66 66 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 68 ASN H . . F . 66 LEU MD2 . fSH2 . 68 . HN . . . fSH2 . 66 . HD2* . . rr_1aot 1 890 1 . . 1 1 66 66 LEU H H . . . 1 1 69 69 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU H . . F . 69 GLY H . fSH2 . 66 . HN . . . fSH2 . 69 . HN . . rr_1aot 1 891 1 . . 1 1 66 66 LEU H H . . . 1 1 69 69 GLY HA3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU H . . F . 69 GLY HA3 . fSH2 . 66 . HN . . . fSH2 . 69 . HA1 . . rr_1aot 1 892 1 OR . 1 1 69 69 GLY H H . . . 1 1 66 66 LEU HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 69 GLY H . . F . 66 LEU HB2 . fSH2 . 69 . HN . . . fSH2 . 66 . HB* . . rr_1aot 1 892 2 OR . 1 1 66 66 LEU HB3 H . . . 1 1 69 69 GLY H H . . . . . 0.0 -1.8 2.7 . . . . . F . 66 LEU HB3 . . F . 69 GLY H . fSH2 . 66 . HB* . . . fSH2 . 69 . HN . . rr_1aot 1 893 1 . . 1 1 69 69 GLY H H . . . 1 1 66 66 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 69 GLY H . . F . 66 LEU MD1 . fSH2 . 69 . HN . . . fSH2 . 66 . HD1* . . rr_1aot 1 894 1 . . 1 1 69 69 GLY H H . . . 1 1 66 66 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 69 GLY H . . F . 66 LEU MD2 . fSH2 . 69 . HN . . . fSH2 . 66 . HD2* . . rr_1aot 1 895 1 OR . 1 1 70 70 GLY H H . . . 1 1 66 66 LEU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 70 GLY H . . F . 66 LEU HB2 . fSH2 . 70 . HN . . . fSH2 . 66 . HB* . . rr_1aot 1 895 2 OR . 1 1 66 66 LEU HB3 H . . . 1 1 70 70 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 66 LEU HB3 . . F . 70 GLY H . fSH2 . 66 . HB* . . . fSH2 . 70 . HN . . rr_1aot 1 896 1 . . 1 1 70 70 GLY H H . . . 1 1 66 66 LEU MD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 70 GLY H . . F . 66 LEU MD2 . fSH2 . 70 . HN . . . fSH2 . 66 . HD2* . . rr_1aot 1 897 1 . . 1 1 67 67 ASP H H . . . 1 1 69 69 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 67 ASP H . . F . 69 GLY H . fSH2 . 67 . HN . . . fSH2 . 69 . HN . . rr_1aot 1 898 1 . . 1 1 67 67 ASP HA H . . . 1 1 69 69 GLY H H . . . . . 0.0 -1.8 3.5 . . . . . F . 67 ASP HA . . F . 69 GLY H . fSH2 . 67 . HA . . . fSH2 . 69 . HN . . rr_1aot 1 899 1 . . 1 1 67 67 ASP HB3 H . . . 1 1 69 69 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 67 ASP HB3 . . F . 69 GLY H . fSH2 . 67 . HB1 . . . fSH2 . 69 . HN . . rr_1aot 1 900 1 . . 1 1 67 67 ASP HB2 H . . . 1 1 69 69 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 67 ASP HB2 . . F . 69 GLY H . fSH2 . 67 . HB2 . . . fSH2 . 69 . HN . . rr_1aot 1 901 1 OR . 1 1 70 70 GLY H H . . . 1 1 68 68 ASN HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 70 GLY H . . F . 68 ASN HB2 . fSH2 . 70 . HN . . . fSH2 . 68 . HB* . . rr_1aot 1 901 2 OR . 1 1 68 68 ASN HB3 H . . . 1 1 70 70 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 68 ASN HB3 . . F . 70 GLY H . fSH2 . 68 . HB* . . . fSH2 . 70 . HN . . rr_1aot 1 902 1 OR . 1 1 68 68 ASN HD21 H . . . 1 1 66 66 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 68 ASN HD21 . . F . 66 LEU MD1 . fSH2 . 68 . HD21 . . . fSH2 . 66 . HD* . . rr_1aot 1 902 2 OR . 1 1 68 68 ASN HD21 H . . . 1 1 66 66 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 68 ASN HD21 . . F . 66 LEU MD2 . fSH2 . 68 . HD21 . . . fSH2 . 66 . HD* . . rr_1aot 1 903 1 OR . 1 1 68 68 ASN HD22 H . . . 1 1 66 66 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 68 ASN HD22 . . F . 66 LEU MD1 . fSH2 . 68 . HD22 . . . fSH2 . 66 . HD* . . rr_1aot 1 903 2 OR . 1 1 66 66 LEU MD2 H . . . 1 1 68 68 ASN HD22 H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU MD2 . . F . 68 ASN HD22 . fSH2 . 66 . HD* . . . fSH2 . 68 . HD22 . . rr_1aot 1 904 1 . . 1 1 72 72 TYR QD H . . . 1 1 74 74 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QD . . F . 74 THR H . fSH2 . 72 . HD* . . . fSH2 . 74 . HN . . rr_1aot 1 905 1 . . 1 1 72 72 TYR QE H . . . 1 1 74 74 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QE . . F . 74 THR H . fSH2 . 72 . HE* . . . fSH2 . 74 . HN . . rr_1aot 1 906 1 . . 1 1 72 72 TYR HB2 H . . . 1 1 74 74 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR HB2 . . F . 74 THR H . fSH2 . 72 . HB2 . . . fSH2 . 74 . HN . . rr_1aot 1 907 1 . . 1 1 72 72 TYR QD H . . . 1 1 75 75 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 72 TYR QD . . F . 75 THR H . fSH2 . 72 . HD* . . . fSH2 . 75 . HN . . rr_1aot 1 908 1 . . 1 1 72 72 TYR QD H . . . 1 1 75 75 THR MG H . . . . . 0.0 -1.8 2.7 . . . . . F . 72 TYR QD . . F . 75 THR MG . fSH2 . 72 . HD* . . . fSH2 . 75 . HG2* . . rr_1aot 1 909 1 . . 1 1 72 72 TYR QE H . . . 1 1 75 75 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 72 TYR QE . . F . 75 THR H . fSH2 . 72 . HE* . . . fSH2 . 75 . HN . . rr_1aot 1 910 1 . . 1 1 72 72 TYR QE H . . . 1 1 75 75 THR MG H . . . . . 0.0 -1.8 2.7 . . . . . F . 72 TYR QE . . F . 75 THR MG . fSH2 . 72 . HE* . . . fSH2 . 75 . HG2* . . rr_1aot 1 911 1 . . 1 1 72 72 TYR QD H . . . 1 1 76 76 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QD . . F . 76 ARG H . fSH2 . 72 . HD* . . . fSH2 . 76 . HN . . rr_1aot 1 912 1 . . 1 1 74 74 THR HA H . . . 1 1 76 76 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 74 THR HA . . F . 76 ARG H . fSH2 . 74 . HA . . . fSH2 . 76 . HN . . rr_1aot 1 913 1 . . 1 1 74 74 THR HA H . . . 1 1 77 77 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 74 THR HA . . F . 77 ALA H . fSH2 . 74 . HA . . . fSH2 . 77 . HN . . rr_1aot 1 914 1 . . 1 1 74 74 THR MG H . . . 1 1 76 76 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 74 THR MG . . F . 76 ARG H . fSH2 . 74 . HG2* . . . fSH2 . 76 . HN . . rr_1aot 1 915 1 . . 1 1 74 74 THR MG H . . . 1 1 77 77 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 74 THR MG . . F . 77 ALA H . fSH2 . 74 . HG2* . . . fSH2 . 77 . HN . . rr_1aot 1 916 1 . . 1 1 75 75 THR H H . . . 1 1 77 77 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 75 THR H . . F . 77 ALA H . fSH2 . 75 . HN . . . fSH2 . 77 . HN . . rr_1aot 1 917 1 . . 1 1 75 75 THR HA H . . . 1 1 77 77 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 75 THR HA . . F . 77 ALA H . fSH2 . 75 . HA . . . fSH2 . 77 . HN . . rr_1aot 1 918 1 . . 1 1 75 75 THR HA H . . . 1 1 78 78 GLN HE21 H . . . . . 0.0 -1.8 3.5 . . . . . F . 75 THR HA . . F . 78 GLN HE21 . fSH2 . 75 . HA . . . fSH2 . 78 . HE21 . . rr_1aot 1 919 1 . . 1 1 75 75 THR HA H . . . 1 1 78 78 GLN HE22 H . . . . . 0.0 -1.8 3.5 . . . . . F . 75 THR HA . . F . 78 GLN HE22 . fSH2 . 75 . HA . . . fSH2 . 78 . HE22 . . rr_1aot 1 920 1 . . 1 1 75 75 THR HB H . . . 1 1 78 78 GLN HE21 H . . . . . 0.0 -1.8 5.0 . . . . . F . 75 THR HB . . F . 78 GLN HE21 . fSH2 . 75 . HB . . . fSH2 . 78 . HE21 . . rr_1aot 1 921 1 . . 1 1 75 75 THR HB H . . . 1 1 78 78 GLN HE22 H . . . . . 0.0 -1.8 5.0 . . . . . F . 75 THR HB . . F . 78 GLN HE22 . fSH2 . 75 . HB . . . fSH2 . 78 . HE22 . . rr_1aot 1 922 1 . . 1 1 75 75 THR MG H . . . 1 1 77 77 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 75 THR MG . . F . 77 ALA H . fSH2 . 75 . HG2* . . . fSH2 . 77 . HN . . rr_1aot 1 923 1 . . 1 1 75 75 THR MG H . . . 1 1 78 78 GLN HE21 H . . . . . 0.0 -1.8 5.0 . . . . . F . 75 THR MG . . F . 78 GLN HE21 . fSH2 . 75 . HG2* . . . fSH2 . 78 . HE21 . . rr_1aot 1 924 1 . . 1 1 75 75 THR MG H . . . 1 1 78 78 GLN HE22 H . . . . . 0.0 -1.8 5.0 . . . . . F . 75 THR MG . . F . 78 GLN HE22 . fSH2 . 75 . HG2* . . . fSH2 . 78 . HE22 . . rr_1aot 1 925 1 . . 1 1 77 77 ALA MB H . . . 1 1 79 79 PHE HZ H . . . . . 0.0 -1.8 3.5 . . . . . F . 77 ALA MB . . F . 79 PHE HZ . fSH2 . 77 . HB* . . . fSH2 . 79 . HZ . . rr_1aot 1 926 1 . . 1 1 79 79 PHE HA H . . . 1 1 81 81 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 79 PHE HA . . F . 81 THR H . fSH2 . 79 . HA . . . fSH2 . 81 . HN . . rr_1aot 1 927 1 OR . 1 1 81 81 THR H H . . . 1 1 79 79 PHE HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR H . . F . 79 PHE HB2 . fSH2 . 81 . HN . . . fSH2 . 79 . HB* . . rr_1aot 1 927 2 OR . 1 1 79 79 PHE HB3 H . . . 1 1 81 81 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 79 PHE HB3 . . F . 81 THR H . fSH2 . 79 . HB* . . . fSH2 . 81 . HN . . rr_1aot 1 928 1 . . 1 1 81 81 THR H H . . . 1 1 84 84 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR H . . F . 84 GLN H . fSH2 . 81 . HN . . . fSH2 . 84 . HN . . rr_1aot 1 929 1 . . 1 1 81 81 THR H H . . . 1 1 85 85 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR H . . F . 85 LEU H . fSH2 . 81 . HN . . . fSH2 . 85 . HN . . rr_1aot 1 930 1 . . 1 1 81 81 THR H H . . . 1 1 84 84 GLN HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR H . . F . 84 GLN HA . fSH2 . 81 . HN . . . fSH2 . 84 . HA . . rr_1aot 1 931 1 . . 1 1 81 81 THR H H . . . 1 1 84 84 GLN HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR H . . F . 84 GLN HG2 . fSH2 . 81 . HN . . . fSH2 . 84 . HG2 . . rr_1aot 1 932 1 . . 1 1 81 81 THR HA H . . . 1 1 83 83 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HA . . F . 83 GLN H . fSH2 . 81 . HA . . . fSH2 . 83 . HN . . rr_1aot 1 933 1 . . 1 1 81 81 THR HB H . . . 1 1 83 83 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HB . . F . 83 GLN H . fSH2 . 81 . HB . . . fSH2 . 83 . HN . . rr_1aot 1 934 1 . . 1 1 81 81 THR HB H . . . 1 1 84 84 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HB . . F . 84 GLN H . fSH2 . 81 . HB . . . fSH2 . 84 . HN . . rr_1aot 1 935 1 . . 1 1 81 81 THR MG H . . . 1 1 83 83 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 81 THR MG . . F . 83 GLN H . fSH2 . 81 . HG2* . . . fSH2 . 83 . HN . . rr_1aot 1 936 1 . . 1 1 81 81 THR MG H . . . 1 1 84 84 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 81 THR MG . . F . 84 GLN H . fSH2 . 81 . HG2* . . . fSH2 . 84 . HN . . rr_1aot 1 937 1 . . 1 1 81 81 THR MG H . . . 1 1 85 85 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 81 THR MG . . F . 85 LEU H . fSH2 . 81 . HG2* . . . fSH2 . 85 . HN . . rr_1aot 1 938 1 . . 1 1 81 81 THR MG H . . . 1 1 84 84 GLN HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 81 THR MG . . F . 84 GLN HB3 . fSH2 . 81 . HG2* . . . fSH2 . 84 . HB1 . . rr_1aot 1 939 1 . . 1 1 81 81 THR MG H . . . 1 1 84 84 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 81 THR MG . . F . 84 GLN HB2 . fSH2 . 81 . HG2* . . . fSH2 . 84 . HB2 . . rr_1aot 1 940 1 . . 1 1 81 81 THR MG H . . . 1 1 84 84 GLN HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR MG . . F . 84 GLN HG3 . fSH2 . 81 . HG2* . . . fSH2 . 84 . HG1 . . rr_1aot 1 941 1 . . 1 1 81 81 THR MG H . . . 1 1 84 84 GLN HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR MG . . F . 84 GLN HG2 . fSH2 . 81 . HG2* . . . fSH2 . 84 . HG2 . . rr_1aot 1 942 1 . . 1 1 81 81 THR HG1 H . . . 1 1 83 83 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HG1 . . F . 83 GLN H . fSH2 . 81 . HG1 . . . fSH2 . 83 . HN . . rr_1aot 1 943 1 . . 1 1 81 81 THR HG1 H . . . 1 1 84 84 GLN H H . . . . . 0.0 -1.8 3.5 . . . . . F . 81 THR HG1 . . F . 84 GLN H . fSH2 . 81 . HG1 . . . fSH2 . 84 . HN . . rr_1aot 1 944 1 . . 1 1 81 81 THR HG1 H . . . 1 1 85 85 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HG1 . . F . 85 LEU H . fSH2 . 81 . HG1 . . . fSH2 . 85 . HN . . rr_1aot 1 945 1 . . 1 1 81 81 THR HG1 H . . . 1 1 84 84 GLN HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HG1 . . F . 84 GLN HA . fSH2 . 81 . HG1 . . . fSH2 . 84 . HA . . rr_1aot 1 946 1 . . 1 1 81 81 THR HG1 H . . . 1 1 84 84 GLN HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HG1 . . F . 84 GLN HB3 . fSH2 . 81 . HG1 . . . fSH2 . 84 . HB1 . . rr_1aot 1 947 1 . . 1 1 81 81 THR HG1 H . . . 1 1 84 84 GLN HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HG1 . . F . 84 GLN HB2 . fSH2 . 81 . HG1 . . . fSH2 . 84 . HB2 . . rr_1aot 1 948 1 . . 1 1 81 81 THR HG1 H . . . 1 1 84 84 GLN HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HG1 . . F . 84 GLN HG3 . fSH2 . 81 . HG1 . . . fSH2 . 84 . HG1 . . rr_1aot 1 949 1 . . 1 1 81 81 THR HG1 H . . . 1 1 84 84 GLN HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HG1 . . F . 84 GLN HG2 . fSH2 . 81 . HG1 . . . fSH2 . 84 . HG2 . . rr_1aot 1 950 1 . . 1 1 81 81 THR HG1 H . . . 1 1 84 84 GLN HE21 H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HG1 . . F . 84 GLN HE21 . fSH2 . 81 . HG1 . . . fSH2 . 84 . HE21 . . rr_1aot 1 951 1 . . 1 1 81 81 THR HG1 H . . . 1 1 84 84 GLN HE22 H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HG1 . . F . 84 GLN HE22 . fSH2 . 81 . HG1 . . . fSH2 . 84 . HE22 . . rr_1aot 1 952 1 . . 1 1 82 82 LEU H H . . . 1 1 84 84 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU H . . F . 84 GLN H . fSH2 . 82 . HN . . . fSH2 . 84 . HN . . rr_1aot 1 953 1 . . 1 1 82 82 LEU HA H . . . 1 1 85 85 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 82 LEU HA . . F . 85 LEU H . fSH2 . 82 . HA . . . fSH2 . 85 . HN . . rr_1aot 1 954 1 . . 1 1 82 82 LEU MD2 H . . . 1 1 85 85 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU MD2 . . F . 85 LEU MD1 . fSH2 . 82 . HD2* . . . fSH2 . 85 . HD1* . . rr_1aot 1 955 1 . . 1 1 83 83 GLN H H . . . 1 1 85 85 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 83 GLN H . . F . 85 LEU H . fSH2 . 83 . HN . . . fSH2 . 85 . HN . . rr_1aot 1 956 1 . . 1 1 83 83 GLN HA H . . . 1 1 86 86 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 83 GLN HA . . F . 86 VAL MG2 . fSH2 . 83 . HA . . . fSH2 . 86 . HG2* . . rr_1aot 1 957 1 . . 1 1 83 83 GLN HA H . . . 1 1 86 86 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 83 GLN HA . . F . 86 VAL MG1 . fSH2 . 83 . HA . . . fSH2 . 86 . HG1* . . rr_1aot 1 958 1 . . 1 1 84 84 GLN HA H . . . 1 1 87 87 GLN HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 84 GLN HA . . F . 87 GLN HB3 . fSH2 . 84 . HA . . . fSH2 . 87 . HB1 . . rr_1aot 1 959 1 . . 1 1 84 84 GLN HA H . . . 1 1 87 87 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 84 GLN HA . . F . 87 GLN HB2 . fSH2 . 84 . HA . . . fSH2 . 87 . HB2 . . rr_1aot 1 960 1 . . 1 1 84 84 GLN H H . . . 1 1 86 86 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 84 GLN H . . F . 86 VAL MG2 . fSH2 . 84 . HN . . . fSH2 . 86 . HG2* . . rr_1aot 1 961 1 . . 1 1 84 84 GLN H H . . . 1 1 86 86 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 84 GLN H . . F . 86 VAL MG1 . fSH2 . 84 . HN . . . fSH2 . 86 . HG1* . . rr_1aot 1 962 1 . . 1 1 85 85 LEU HA H . . . 1 1 88 88 HIS HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU HA . . F . 88 HIS HB3 . fSH2 . 85 . HA . . . fSH2 . 88 . HB1 . . rr_1aot 1 963 1 . . 1 1 85 85 LEU HA H . . . 1 1 88 88 HIS HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 85 LEU HA . . F . 88 HIS HB2 . fSH2 . 85 . HA . . . fSH2 . 88 . HB2 . . rr_1aot 1 964 1 . . 1 1 85 85 LEU HA H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . F . 85 LEU HA . . F . 89 TYR QD . fSH2 . 85 . HA . . . fSH2 . 89 . HD* . . rr_1aot 1 965 1 . . 1 1 85 85 LEU HA H . . . 1 1 89 89 TYR QE H . . . . . 0.0 -1.8 3.5 . . . . . F . 85 LEU HA . . F . 89 TYR QE . fSH2 . 85 . HA . . . fSH2 . 89 . HE* . . rr_1aot 1 966 1 . . 1 1 85 85 LEU HA H . . . 1 1 89 89 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 85 LEU HA . . F . 89 TYR H . fSH2 . 85 . HA . . . fSH2 . 89 . HN . . rr_1aot 1 967 1 . . 1 1 85 85 LEU HG H . . . 1 1 88 88 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU HG . . F . 88 HIS H . fSH2 . 85 . HG* . . . fSH2 . 88 . HN . . rr_1aot 1 968 1 . . 1 1 85 85 LEU MD2 H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU MD2 . . F . 89 TYR QD . fSH2 . 85 . HD2* . . . fSH2 . 89 . HD* . . rr_1aot 1 969 1 . . 1 1 85 85 LEU MD2 H . . . 1 1 89 89 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU MD2 . . F . 89 TYR QE . fSH2 . 85 . HD2* . . . fSH2 . 89 . HE* . . rr_1aot 1 970 1 . . 1 1 85 85 LEU MD1 H . . . 1 1 89 89 TYR QE H . . . . . 0.0 -1.8 2.7 . . . . . F . 85 LEU MD1 . . F . 89 TYR QE . fSH2 . 85 . HD1* . . . fSH2 . 89 . HE* . . rr_1aot 1 971 1 . . 1 1 85 85 LEU MD1 H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 2.7 . . . . . F . 85 LEU MD1 . . F . 89 TYR QD . fSH2 . 85 . HD1* . . . fSH2 . 89 . HD* . . rr_1aot 1 972 1 . . 1 1 85 85 LEU MD2 H . . . 1 1 87 87 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU MD2 . . F . 87 GLN H . fSH2 . 85 . HD2* . . . fSH2 . 87 . HN . . rr_1aot 1 973 1 . . 1 1 85 85 LEU MD1 H . . . 1 1 87 87 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU MD1 . . F . 87 GLN H . fSH2 . 85 . HD1* . . . fSH2 . 87 . HN . . rr_1aot 1 974 1 . . 1 1 89 89 TYR H H . . . 1 1 86 86 VAL HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR H . . F . 86 VAL HA . fSH2 . 89 . HN . . . fSH2 . 86 . HA . . rr_1aot 1 975 1 . . 1 1 89 89 TYR HB2 H . . . 1 1 86 86 VAL HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 89 TYR HB2 . . F . 86 VAL HA . fSH2 . 89 . HB2 . . . fSH2 . 86 . HA . . rr_1aot 1 976 1 . . 1 1 88 88 HIS H H . . . 1 1 86 86 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 88 HIS H . . F . 86 VAL MG2 . fSH2 . 88 . HN . . . fSH2 . 86 . HG2* . . rr_1aot 1 977 1 . . 1 1 89 89 TYR H H . . . 1 1 86 86 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR H . . F . 86 VAL MG2 . fSH2 . 89 . HN . . . fSH2 . 86 . HG2* . . rr_1aot 1 978 1 . . 1 1 90 90 SER H H . . . 1 1 86 86 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER H . . F . 86 VAL MG2 . fSH2 . 90 . HN . . . fSH2 . 86 . HG2* . . rr_1aot 1 979 1 . . 1 1 87 87 GLN HA H . . . 1 1 89 89 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 87 GLN HA . . F . 89 TYR H . fSH2 . 87 . HA . . . fSH2 . 89 . HN . . rr_1aot 1 980 1 . . 1 1 89 89 TYR HA H . . . 1 1 92 92 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 89 TYR HA . . F . 92 ARG H . fSH2 . 89 . HA . . . fSH2 . 92 . HN . . rr_1aot 1 981 1 . . 1 1 90 90 SER H H . . . 1 1 92 92 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 90 SER H . . F . 92 ARG H . fSH2 . 90 . HN . . . fSH2 . 92 . HN . . rr_1aot 1 982 1 . . 1 1 90 90 SER HA H . . . 1 1 92 92 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER HA . . F . 92 ARG H . fSH2 . 90 . HA . . . fSH2 . 92 . HN . . rr_1aot 1 983 1 . . 1 1 90 90 SER HB3 H . . . 1 1 92 92 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER HB3 . . F . 92 ARG H . fSH2 . 90 . HB1 . . . fSH2 . 92 . HN . . rr_1aot 1 984 1 . . 1 1 90 90 SER HB2 H . . . 1 1 92 92 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER HB2 . . F . 92 ARG H . fSH2 . 90 . HB2 . . . fSH2 . 92 . HN . . rr_1aot 1 985 1 . . 1 1 94 94 ALA H H . . . 1 1 92 92 ARG HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 94 ALA H . . F . 92 ARG HA . fSH2 . 94 . HN . . . fSH2 . 92 . HA . . rr_1aot 1 986 1 . . 1 1 92 92 ARG HB3 H . . . 1 1 94 94 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG HB3 . . F . 94 ALA H . fSH2 . 92 . HB1 . . . fSH2 . 94 . HN . . rr_1aot 1 987 1 . . 1 1 92 92 ARG HB2 H . . . 1 1 94 94 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG HB2 . . F . 94 ALA H . fSH2 . 92 . HB2 . . . fSH2 . 94 . HN . . rr_1aot 1 988 1 OR . 1 1 94 94 ALA H H . . . 1 1 92 92 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 94 ALA H . . F . 92 ARG HD2 . fSH2 . 94 . HN . . . fSH2 . 92 . HD* . . rr_1aot 1 988 2 OR . 1 1 92 92 ARG HD3 H . . . 1 1 94 94 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG HD3 . . F . 94 ALA H . fSH2 . 92 . HD* . . . fSH2 . 94 . HN . . rr_1aot 1 989 1 . . 1 1 96 96 LEU MD2 H . . . 1 1 93 93 ALA HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU MD2 . . F . 93 ALA HA . fSH2 . 96 . HD2* . . . fSH2 . 93 . HA . . rr_1aot 1 990 1 . . 1 1 96 96 LEU H H . . . 1 1 93 93 ALA HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU H . . F . 93 ALA HA . fSH2 . 96 . HN . . . fSH2 . 93 . HA . . rr_1aot 1 991 1 . . 1 1 93 93 ALA MB H . . . 1 1 96 96 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 93 ALA MB . . F . 96 LEU MD1 . fSH2 . 93 . HB* . . . fSH2 . 96 . HD1* . . rr_1aot 1 992 1 . . 1 1 97 97 SER H H . . . 1 1 93 93 ALA MB H . . . . . 0.0 -1.8 5.0 . . . . . F . 97 SER H . . F . 93 ALA MB . fSH2 . 97 . HN . . . fSH2 . 93 . HB* . . rr_1aot 1 993 1 . . 1 1 96 96 LEU H H . . . 1 1 94 94 ALA HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU H . . F . 94 ALA HA . fSH2 . 96 . HN . . . fSH2 . 94 . HA . . rr_1aot 1 994 1 . . 1 1 96 96 LEU H H . . . 1 1 98 98 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU H . . F . 98 SER H . fSH2 . 96 . HN . . . fSH2 . 98 . HN . . rr_1aot 1 995 1 OR . 1 1 98 98 SER H H . . . 1 1 96 96 LEU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 98 SER H . . F . 96 LEU HB2 . fSH2 . 98 . HN . . . fSH2 . 96 . HB* . . rr_1aot 1 995 2 OR . 1 1 96 96 LEU HB3 H . . . 1 1 98 98 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 96 LEU HB3 . . F . 98 SER H . fSH2 . 96 . HB* . . . fSH2 . 98 . HN . . rr_1aot 1 996 1 . . 1 1 96 96 LEU HG H . . . 1 1 98 98 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 96 LEU HG . . F . 98 SER H . fSH2 . 96 . HG . . . fSH2 . 98 . HN . . rr_1aot 1 997 1 . . 1 1 96 96 LEU HG H . . . 1 1 99 99 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU HG . . F . 99 ARG H . fSH2 . 96 . HG . . . fSH2 . 99 . HN . . rr_1aot 1 998 1 . . 1 1 96 96 LEU MD2 H . . . 1 1 98 98 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 96 LEU MD2 . . F . 98 SER H . fSH2 . 96 . HD2* . . . fSH2 . 98 . HN . . rr_1aot 1 999 1 . . 1 1 96 96 LEU MD1 H . . . 1 1 98 98 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU MD1 . . F . 98 SER H . fSH2 . 96 . HD1* . . . fSH2 . 98 . HN . . rr_1aot 1 1000 1 . . 1 1 96 96 LEU MD1 H . . . 1 1 100 100 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU MD1 . . F . 100 LEU H . fSH2 . 96 . HD1* . . . fSH2 . 100 . HN . . rr_1aot 1 1001 1 . . 1 1 2 2 ILE MG H . . . 1 1 8 8 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 2 ILE MG . . F . 8 TYR QE . fSH2 . 2 . HG2* . . . fSH2 . 8 . HE* . . rr_1aot 1 1002 1 . . 1 1 82 82 LEU MD1 H . . . 1 1 2 2 ILE MG H . . . . . 0.0 -1.8 3.5 . . . . . F . 82 LEU MD1 . . F . 2 ILE MG . fSH2 . 82 . HD1* . . . fSH2 . 2 . HG2* . . rr_1aot 1 1003 1 . . 1 1 8 8 TYR QD H . . . 1 1 2 2 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR QD . . F . 2 ILE MD . fSH2 . 8 . HD* . . . fSH2 . 2 . HD1* . . rr_1aot 1 1004 1 . . 1 1 8 8 TYR QE H . . . 1 1 2 2 ILE MD H . . . . . 0.0 -1.8 3.5 . . . . . F . 8 TYR QE . . F . 2 ILE MD . fSH2 . 8 . HE* . . . fSH2 . 2 . HD1* . . rr_1aot 1 1005 1 . . 1 1 2 2 ILE MD H . . . 1 1 43 43 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 2 ILE MD . . F . 43 TYR QD . fSH2 . 2 . HD1* . . . fSH2 . 43 . HD* . . rr_1aot 1 1006 1 OR . 1 1 2 2 ILE MD H . . . 1 1 82 82 LEU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 2 ILE MD . . F . 82 LEU HB2 . fSH2 . 2 . HD1* . . . fSH2 . 82 . HB* . . rr_1aot 1 1006 2 OR . 1 1 82 82 LEU HB3 H . . . 1 1 2 2 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU HB3 . . F . 2 ILE MD . fSH2 . 82 . HB* . . . fSH2 . 2 . HD1* . . rr_1aot 1 1007 1 . . 1 1 82 82 LEU MD1 H . . . 1 1 2 2 ILE MD H . . . . . 0.0 -1.8 3.5 . . . . . F . 82 LEU MD1 . . F . 2 ILE MD . fSH2 . 82 . HD1* . . . fSH2 . 2 . HD1* . . rr_1aot 1 1008 1 . . 1 1 3 3 GLN HB3 H . . . 1 1 8 8 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 3 GLN HB3 . . F . 8 TYR H . fSH2 . 3 . HB1 . . . fSH2 . 8 . HN . . rr_1aot 1 1009 1 . . 1 1 7 7 TRP H H . . . 1 1 101 101 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP H . . F . 101 VAL H . fSH2 . 7 . HN . . . fSH2 . 101 . HN . . rr_1aot 1 1010 1 . . 1 1 7 7 TRP H H . . . 1 1 101 101 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP H . . F . 101 VAL MG1 . fSH2 . 7 . HN . . . fSH2 . 101 . HG1* . . rr_1aot 1 1011 1 . . 1 1 7 7 TRP H H . . . 1 1 101 101 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP H . . F . 101 VAL MG2 . fSH2 . 7 . HN . . . fSH2 . 101 . HG2* . . rr_1aot 1 1012 1 . . 1 1 7 7 TRP HA H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HA . . F . 33 ILE H . fSH2 . 7 . HA . . . fSH2 . 33 . HN* . . rr_1aot 1 1013 1 . . 1 1 7 7 TRP HB2 H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HB2 . . F . 33 ILE H . fSH2 . 7 . HB2 . . . fSH2 . 33 . HN* . . rr_1aot 1 1014 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 86 86 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HD1 . . F . 86 VAL MG1 . fSH2 . 7 . HD1 . . . fSH2 . 86 . HG1* . . rr_1aot 1 1015 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 86 86 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HD1 . . F . 86 VAL MG2 . fSH2 . 7 . HD1 . . . fSH2 . 86 . HG2* . . rr_1aot 1 1016 1 . . 1 1 7 7 TRP HE1 H . . . 1 1 83 83 GLN HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HE1 . . F . 83 GLN HA . fSH2 . 7 . HE1 . . . fSH2 . 83 . HA . . rr_1aot 1 1017 1 . . 1 1 7 7 TRP HE1 H . . . 1 1 86 86 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HE1 . . F . 86 VAL MG1 . fSH2 . 7 . HE1 . . . fSH2 . 86 . HG1* . . rr_1aot 1 1018 1 . . 1 1 7 7 TRP HE1 H . . . 1 1 86 86 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HE1 . . F . 86 VAL MG2 . fSH2 . 7 . HE1 . . . fSH2 . 86 . HG2* . . rr_1aot 1 1019 1 . . 1 1 7 7 TRP HE3 H . . . 1 1 33 33 ILE HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 7 TRP HE3 . . F . 33 ILE HB . fSH2 . 7 . HE3 . . . fSH2 . 33 . HB . . rr_1aot 1 1020 1 . . 1 1 7 7 TRP HE3 H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HE3 . . F . 33 ILE H . fSH2 . 7 . HE3 . . . fSH2 . 33 . HN . . rr_1aot 1 1021 1 OR . 1 1 7 7 TRP HH2 H . . . 1 1 82 82 LEU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HH2 . . F . 82 LEU HB2 . fSH2 . 7 . HH2 . . . fSH2 . 82 . HB* . . rr_1aot 1 1021 2 OR . 1 1 82 82 LEU HB3 H . . . 1 1 7 7 TRP HH2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU HB3 . . F . 7 TRP HH2 . fSH2 . 82 . HB* . . . fSH2 . 7 . HH2 . . rr_1aot 1 1022 1 . . 1 1 82 82 LEU MD2 H . . . 1 1 7 7 TRP HH2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU MD2 . . F . 7 TRP HH2 . fSH2 . 82 . HD2* . . . fSH2 . 7 . HH2 . . rr_1aot 1 1023 1 . . 1 1 82 82 LEU MD1 H . . . 1 1 7 7 TRP HH2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU MD1 . . F . 7 TRP HH2 . fSH2 . 82 . HD1* . . . fSH2 . 7 . HH2 . . rr_1aot 1 1024 1 . . 1 1 86 86 VAL MG2 H . . . 1 1 7 7 TRP HH2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 86 VAL MG2 . . F . 7 TRP HH2 . fSH2 . 86 . HG2* . . . fSH2 . 7 . HH2 . . rr_1aot 1 1025 1 OR . 1 1 7 7 TRP HH2 H . . . 1 1 82 82 LEU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HH2 . . F . 82 LEU HB2 . fSH2 . 7 . HH2 . . . fSH2 . 82 . HB* . . rr_1aot 1 1025 2 OR . 1 1 82 82 LEU HB3 H . . . 1 1 7 7 TRP HH2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU HB3 . . F . 7 TRP HH2 . fSH2 . 82 . HB* . . . fSH2 . 7 . HH2 . . rr_1aot 1 1026 1 . . 1 1 86 86 VAL MG1 H . . . 1 1 7 7 TRP HZ2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 86 VAL MG1 . . F . 7 TRP HZ2 . fSH2 . 86 . HG1* . . . fSH2 . 7 . HZ2 . . rr_1aot 1 1027 1 . . 1 1 7 7 TRP HZ3 H . . . 1 1 33 33 ILE HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HZ3 . . F . 33 ILE HB . fSH2 . 7 . HZ3 . . . fSH2 . 33 . HB . . rr_1aot 1 1028 1 . . 1 1 33 33 ILE MG H . . . 1 1 7 7 TRP HZ3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE MG . . F . 7 TRP HZ3 . fSH2 . 33 . HG2* . . . fSH2 . 7 . HZ3 . . rr_1aot 1 1029 1 . . 1 1 82 82 LEU MD2 H . . . 1 1 7 7 TRP HZ3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU MD2 . . F . 7 TRP HZ3 . fSH2 . 82 . HD2* . . . fSH2 . 7 . HZ3 . . rr_1aot 1 1030 1 . . 1 1 82 82 LEU MD1 H . . . 1 1 7 7 TRP HZ3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU MD1 . . F . 7 TRP HZ3 . fSH2 . 82 . HD1* . . . fSH2 . 7 . HZ3 . . rr_1aot 1 1031 1 . . 1 1 7 7 TRP HZ3 H . . . 1 1 86 86 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HZ3 . . F . 86 VAL MG2 . fSH2 . 7 . HZ3 . . . fSH2 . 86 . HG2* . . rr_1aot 1 1032 1 OR . 1 1 8 8 TYR H H . . . 1 1 33 33 ILE HG13 H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR H . . F . 33 ILE HG13 . fSH2 . 8 . HN* . . . fSH2 . 33 . HG1* . . rr_1aot 1 1032 2 OR . 1 1 8 8 TYR H H . . . 1 1 33 33 ILE HG12 H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR H . . F . 33 ILE HG12 . fSH2 . 8 . HN* . . . fSH2 . 33 . HG1* . . rr_1aot 1 1033 1 . . 1 1 8 8 TYR H H . . . 1 1 33 33 ILE HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR H . . F . 33 ILE HB . fSH2 . 8 . HN* . . . fSH2 . 33 . HB* . . rr_1aot 1 1034 1 . . 1 1 8 8 TYR H H . . . 1 1 101 101 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR H . . F . 101 VAL MG1 . fSH2 . 8 . HN . . . fSH2 . 101 . HG1* . . rr_1aot 1 1035 1 . . 1 1 8 8 TYR H H . . . 1 1 101 101 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR H . . F . 101 VAL MG2 . fSH2 . 8 . HN . . . fSH2 . 101 . HG2* . . rr_1aot 1 1036 1 . . 1 1 8 8 TYR HA H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 8 TYR HA . . F . 33 ILE H . fSH2 . 8 . HA* . . . fSH2 . 33 . HN* . . rr_1aot 1 1037 1 . . 1 1 8 8 TYR HB2 H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR HB2 . . F . 34 ARG H . fSH2 . 8 . HB2 . . . fSH2 . 34 . HN* . . rr_1aot 1 1038 1 . . 1 1 8 8 TYR QD H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR QD . . F . 33 ILE H . fSH2 . 8 . HD* . . . fSH2 . 33 . HN* . . rr_1aot 1 1039 1 . . 1 1 8 8 TYR QD H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR QD . . F . 34 ARG H . fSH2 . 8 . HD* . . . fSH2 . 34 . HN* . . rr_1aot 1 1040 1 . . 1 1 8 8 TYR QD H . . . 1 1 82 82 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 8 TYR QD . . F . 82 LEU MD1 . fSH2 . 8 . HD* . . . fSH2 . 82 . HD1* . . rr_1aot 1 1041 1 . . 1 1 8 8 TYR QE H . . . 1 1 35 35 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR QE . . F . 35 GLU H . fSH2 . 8 . HE* . . . fSH2 . 35 . HN* . . rr_1aot 1 1042 1 . . 1 1 33 33 ILE MG H . . . 1 1 8 8 TYR QE H . . . . . 0.0 -1.8 3.5 . . . . . F . 33 ILE MG . . F . 8 TYR QE . fSH2 . 33 . HG2* . . . fSH2 . 8 . HE* . . rr_1aot 1 1043 1 . . 1 1 9 9 PHE H H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE H . . F . 33 ILE H . fSH2 . 9 . HN* . . . fSH2 . 33 . HN* . . rr_1aot 1 1044 1 . . 1 1 9 9 PHE H H . . . 1 1 33 33 ILE HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE H . . F . 33 ILE HB . fSH2 . 9 . HN* . . . fSH2 . 33 . HB* . . rr_1aot 1 1045 1 . . 1 1 9 9 PHE HB2 H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE HB2 . . F . 33 ILE H . fSH2 . 9 . HB2 . . . fSH2 . 33 . HN* . . rr_1aot 1 1046 1 OR . 1 1 9 9 PHE QD H . . . 1 1 20 20 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 9 PHE QD . . F . 20 GLN HB2 . fSH2 . 9 . HD* . . . fSH2 . 20 . HB* . . rr_1aot 1 1046 2 OR . 1 1 9 9 PHE QD H . . . 1 1 20 20 GLN HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 9 PHE QD . . F . 20 GLN HB3 . fSH2 . 9 . HD* . . . fSH2 . 20 . HB* . . rr_1aot 1 1047 1 OR . 1 1 9 9 PHE QD H . . . 1 1 20 20 GLN HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE QD . . F . 20 GLN HG2 . fSH2 . 9 . HD* . . . fSH2 . 20 . HG* . . rr_1aot 1 1047 2 OR . 1 1 9 9 PHE QD H . . . 1 1 20 20 GLN HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE QD . . F . 20 GLN HG3 . fSH2 . 9 . HD* . . . fSH2 . 20 . HG* . . rr_1aot 1 1048 1 . . 1 1 9 9 PHE QD H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 9 PHE QD . . F . 33 ILE H . fSH2 . 9 . HD* . . . fSH2 . 33 . HN* . . rr_1aot 1 1049 1 OR . 1 1 9 9 PHE QE H . . . 1 1 20 20 GLN HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE QE . . F . 20 GLN HG2 . fSH2 . 9 . HE* . . . fSH2 . 20 . HG* . . rr_1aot 1 1049 2 OR . 1 1 20 20 GLN HG3 H . . . 1 1 9 9 PHE QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 20 GLN HG3 . . F . 9 PHE QE . fSH2 . 20 . HG* . . . fSH2 . 9 . HE* . . rr_1aot 1 1050 1 . . 1 1 32 32 LEU MD2 H . . . 1 1 9 9 PHE QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 32 LEU MD2 . . F . 9 PHE QE . fSH2 . 32 . HD2* . . . fSH2 . 9 . HE* . . rr_1aot 1 1051 1 . . 1 1 10 10 GLY H H . . . 1 1 35 35 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 10 GLY H . . F . 35 GLU H . fSH2 . 10 . HN* . . . fSH2 . 35 . HN* . . rr_1aot 1 1052 1 . . 1 1 10 10 GLY HA3 H . . . 1 1 35 35 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 10 GLY HA3 . . F . 35 GLU H . fSH2 . 10 . HA1 . . . fSH2 . 35 . HN* . . rr_1aot 1 1053 1 . . 1 1 11 11 LYS H H . . . 1 1 34 34 ARG HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 11 LYS H . . F . 34 ARG HA . fSH2 . 11 . HN* . . . fSH2 . 34 . HA . . rr_1aot 1 1054 1 . . 1 1 11 11 LYS H H . . . 1 1 35 35 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 11 LYS H . . F . 35 GLU H . fSH2 . 11 . HN* . . . fSH2 . 35 . HN* . . rr_1aot 1 1055 1 OR . 1 1 11 11 LYS H H . . . 1 1 35 35 GLU HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 11 LYS H . . F . 35 GLU HG3 . fSH2 . 11 . HN* . . . fSH2 . 35 . HG* . . rr_1aot 1 1055 2 OR . 1 1 11 11 LYS H H . . . 1 1 35 35 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 11 LYS H . . F . 35 GLU HG2 . fSH2 . 11 . HN* . . . fSH2 . 35 . HG* . . rr_1aot 1 1056 1 . . 1 1 11 11 LYS HA H . . . 1 1 35 35 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 11 LYS HA . . F . 35 GLU H . fSH2 . 11 . HA . . . fSH2 . 35 . HN . . rr_1aot 1 1057 1 . . 1 1 11 11 LYS HA H . . . 1 1 35 35 GLU HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 11 LYS HA . . F . 35 GLU HB3 . fSH2 . 11 . HA . . . fSH2 . 35 . HB1 . . rr_1aot 1 1058 1 . . 1 1 12 12 LEU H H . . . 1 1 35 35 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 12 LEU H . . F . 35 GLU H . fSH2 . 12 . HN . . . fSH2 . 35 . HN . . rr_1aot 1 1059 1 . . 1 1 12 12 LEU H H . . . 1 1 35 35 GLU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 12 LEU H . . F . 35 GLU HB2 . fSH2 . 12 . HN . . . fSH2 . 35 . HB2 . . rr_1aot 1 1060 1 . . 1 1 12 12 LEU H H . . . 1 1 35 35 GLU HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 12 LEU H . . F . 35 GLU HB3 . fSH2 . 12 . HN . . . fSH2 . 35 . HB1 . . rr_1aot 1 1061 1 . . 1 1 12 12 LEU MD1 H . . . 1 1 17 17 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 12 LEU MD1 . . F . 17 ALA H . fSH2 . 12 . HD1* . . . fSH2 . 17 . HN . . rr_1aot 1 1062 1 . . 1 1 12 12 LEU MD2 H . . . 1 1 17 17 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 12 LEU MD2 . . F . 17 ALA H . fSH2 . 12 . HD2* . . . fSH2 . 17 . HN . . rr_1aot 1 1063 1 . . 1 1 12 12 LEU MD2 H . . . 1 1 17 17 ALA HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 12 LEU MD2 . . F . 17 ALA HA . fSH2 . 12 . HD2* . . . fSH2 . 17 . HA . . rr_1aot 1 1064 1 . . 1 1 12 12 LEU MD2 H . . . 1 1 17 17 ALA MB H . . . . . 0.0 -1.8 2.7 . . . . . F . 12 LEU MD2 . . F . 17 ALA MB . fSH2 . 12 . HD2* . . . fSH2 . 17 . HB* . . rr_1aot 1 1065 1 . . 1 1 12 12 LEU MD2 H . . . 1 1 32 32 LEU MD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 12 LEU MD2 . . F . 32 LEU MD2 . fSH2 . 12 . HD2* . . . fSH2 . 32 . HD2* . . rr_1aot 1 1066 1 . . 1 1 37 37 GLU H H . . . 1 1 14 14 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 37 GLU H . . F . 14 ARG H . fSH2 . 37 . HN* . . . fSH2 . 14 . HN . . rr_1aot 1 1067 1 OR . 1 1 14 14 ARG H H . . . 1 1 37 37 GLU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 14 ARG H . . F . 37 GLU HB2 . fSH2 . 14 . HN . . . fSH2 . 37 . HB* . . rr_1aot 1 1067 2 OR . 1 1 37 37 GLU HB3 H . . . 1 1 14 14 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 37 GLU HB3 . . F . 14 ARG H . fSH2 . 37 . HB* . . . fSH2 . 14 . HN . . rr_1aot 1 1068 1 OR . 1 1 14 14 ARG H H . . . 1 1 37 37 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 14 ARG H . . F . 37 GLU HG2 . fSH2 . 14 . HN . . . fSH2 . 37 . HG* . . rr_1aot 1 1068 2 OR . 1 1 37 37 GLU HG3 H . . . 1 1 14 14 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 37 GLU HG3 . . F . 14 ARG H . fSH2 . 37 . HG* . . . fSH2 . 14 . HN . . rr_1aot 1 1069 1 . . 1 1 60 60 HIS HE1 H . . . 1 1 14 14 ARG HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 60 HIS HE1 . . F . 14 ARG HA . fSH2 . 60 . HE1 . . . fSH2 . 14 . HA . . rr_1aot 1 1070 1 . . 1 1 32 32 LEU MD2 H . . . 1 1 17 17 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 32 LEU MD2 . . F . 17 ALA H . fSH2 . 32 . HD2* . . . fSH2 . 17 . HN . . rr_1aot 1 1071 1 . . 1 1 58 58 VAL MG1 H . . . 1 1 17 17 ALA HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG1 . . F . 17 ALA HA . fSH2 . 58 . HG1* . . . fSH2 . 17 . HA . . rr_1aot 1 1072 1 . . 1 1 58 58 VAL MG2 H . . . 1 1 17 17 ALA HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG2 . . F . 17 ALA HA . fSH2 . 58 . HG2* . . . fSH2 . 17 . HA . . rr_1aot 1 1073 1 . . 1 1 60 60 HIS HE1 H . . . 1 1 17 17 ALA HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS HE1 . . F . 17 ALA HA . fSH2 . 60 . HE1 . . . fSH2 . 17 . HA . . rr_1aot 1 1074 1 . . 1 1 32 32 LEU MD2 H . . . 1 1 17 17 ALA HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 32 LEU MD2 . . F . 17 ALA HA . fSH2 . 32 . HD2* . . . fSH2 . 17 . HA . . rr_1aot 1 1075 1 . . 1 1 17 17 ALA MB H . . . 1 1 32 32 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 17 ALA MB . . F . 32 LEU MD1 . fSH2 . 17 . HB* . . . fSH2 . 32 . HD1* . . rr_1aot 1 1076 1 . . 1 1 17 17 ALA MB H . . . 1 1 32 32 LEU MD2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 17 ALA MB . . F . 32 LEU MD2 . fSH2 . 17 . HB* . . . fSH2 . 32 . HD2* . . rr_1aot 1 1077 1 . . 1 1 17 17 ALA MB H . . . 1 1 58 58 VAL MG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 17 ALA MB . . F . 58 VAL MG2 . fSH2 . 17 . HB* . . . fSH2 . 58 . HG2* . . rr_1aot 1 1078 1 . . 1 1 17 17 ALA MB H . . . 1 1 60 60 HIS HE1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 17 ALA MB . . F . 60 HIS HE1 . fSH2 . 17 . HB* . . . fSH2 . 60 . HE1 . . rr_1aot 1 1079 1 . . 1 1 58 58 VAL MG1 H . . . 1 1 18 18 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG1 . . F . 18 GLU H . fSH2 . 58 . HG1* . . . fSH2 . 18 . HN . . rr_1aot 1 1080 1 . . 1 1 58 58 VAL MG2 H . . . 1 1 18 18 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG2 . . F . 18 GLU H . fSH2 . 58 . HG2* . . . fSH2 . 18 . HN . . rr_1aot 1 1081 1 . . 1 1 60 60 HIS HE1 H . . . 1 1 18 18 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS HE1 . . F . 18 GLU H . fSH2 . 60 . HE1 . . . fSH2 . 18 . HN . . rr_1aot 1 1082 1 OR . 1 1 60 60 HIS HE1 H . . . 1 1 18 18 GLU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS HE1 . . F . 18 GLU HB2 . fSH2 . 60 . HE1 . . . fSH2 . 18 . HB* . . rr_1aot 1 1082 2 OR . 1 1 18 18 GLU HB3 H . . . 1 1 60 60 HIS HE1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 18 GLU HB3 . . F . 60 HIS HE1 . fSH2 . 18 . HB* . . . fSH2 . 60 . HE1 . . rr_1aot 1 1083 1 OR . 1 1 58 58 VAL MG1 H . . . 1 1 18 18 GLU HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG1 . . F . 18 GLU HG3 . fSH2 . 58 . HG1* . . . fSH2 . 18 . HG* . . rr_1aot 1 1083 2 OR . 1 1 58 58 VAL MG1 H . . . 1 1 18 18 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG1 . . F . 18 GLU HG2 . fSH2 . 58 . HG1* . . . fSH2 . 18 . HG* . . rr_1aot 1 1084 1 OR . 1 1 58 58 VAL MG2 H . . . 1 1 18 18 GLU HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG2 . . F . 18 GLU HG3 . fSH2 . 58 . HG2* . . . fSH2 . 18 . HG* . . rr_1aot 1 1084 2 OR . 1 1 58 58 VAL MG2 H . . . 1 1 18 18 GLU HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG2 . . F . 18 GLU HG2 . fSH2 . 58 . HG2* . . . fSH2 . 18 . HG* . . rr_1aot 1 1085 1 . . 1 1 58 58 VAL MG1 H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG1 . . F . 19 ARG H . fSH2 . 58 . HG1* . . . fSH2 . 19 . HN . . rr_1aot 1 1086 1 . . 1 1 58 58 VAL MG2 H . . . 1 1 19 19 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG2 . . F . 19 ARG H . fSH2 . 58 . HG2* . . . fSH2 . 19 . HN . . rr_1aot 1 1087 1 . . 1 1 32 32 LEU MD2 H . . . 1 1 20 20 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 32 LEU MD2 . . F . 20 GLN H . fSH2 . 32 . HD2* . . . fSH2 . 20 . HN . . rr_1aot 1 1088 1 . . 1 1 32 32 LEU MD2 H . . . 1 1 21 21 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 32 LEU MD2 . . F . 21 LEU H . fSH2 . 32 . HD2* . . . fSH2 . 21 . HN . . rr_1aot 1 1089 1 . . 1 1 58 58 VAL MG1 H . . . 1 1 21 21 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG1 . . F . 21 LEU H . fSH2 . 58 . HG1* . . . fSH2 . 21 . HN . . rr_1aot 1 1090 1 . . 1 1 58 58 VAL MG2 H . . . 1 1 21 21 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG2 . . F . 21 LEU H . fSH2 . 58 . HG2* . . . fSH2 . 21 . HN . . rr_1aot 1 1091 1 . . 1 1 26 26 ASN H H . . . 1 1 21 21 LEU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 26 ASN H . . F . 21 LEU HA . fSH2 . 26 . HN . . . fSH2 . 21 . HA . . rr_1aot 1 1092 1 OR . 1 1 31 31 PHE HA H . . . 1 1 21 21 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 31 PHE HA . . F . 21 LEU MD1 . fSH2 . 31 . HA . . . fSH2 . 21 . HD* . . rr_1aot 1 1092 2 OR . 1 1 21 21 LEU MD2 H . . . 1 1 31 31 PHE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 21 LEU MD2 . . F . 31 PHE HA . fSH2 . 21 . HD* . . . fSH2 . 31 . HA . . rr_1aot 1 1093 1 OR . 1 1 32 32 LEU H H . . . 1 1 21 21 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 32 LEU H . . F . 21 LEU MD1 . fSH2 . 32 . HN . . . fSH2 . 21 . HD* . . rr_1aot 1 1093 2 OR . 1 1 21 21 LEU MD2 H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 21 LEU MD2 . . F . 32 LEU H . fSH2 . 21 . HD* . . . fSH2 . 32 . HN . . rr_1aot 1 1094 1 OR . 1 1 47 47 ILE H H . . . 1 1 21 21 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE H . . F . 21 LEU MD1 . fSH2 . 47 . HN . . . fSH2 . 21 . HD* . . rr_1aot 1 1094 2 OR . 1 1 21 21 LEU MD2 H . . . 1 1 47 47 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 21 LEU MD2 . . F . 47 ILE H . fSH2 . 21 . HD* . . . fSH2 . 47 . HN . . rr_1aot 1 1095 1 OR . 1 1 48 48 ARG HA H . . . 1 1 21 21 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG HA . . F . 21 LEU MD1 . fSH2 . 48 . HA . . . fSH2 . 21 . HD* . . rr_1aot 1 1095 2 OR . 1 1 21 21 LEU MD2 H . . . 1 1 48 48 ARG HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 21 LEU MD2 . . F . 48 ARG HA . fSH2 . 21 . HD* . . . fSH2 . 48 . HA . . rr_1aot 1 1096 1 OR . 1 1 59 59 LYS H H . . . 1 1 21 21 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 59 LYS H . . F . 21 LEU MD1 . fSH2 . 59 . HN . . . fSH2 . 21 . HD* . . rr_1aot 1 1096 2 OR . 1 1 21 21 LEU MD2 H . . . 1 1 59 59 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 21 LEU MD2 . . F . 59 LYS H . fSH2 . 21 . HD* . . . fSH2 . 59 . HN . . rr_1aot 1 1097 1 OR . 1 1 22 22 LEU H H . . . 1 1 48 48 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 22 LEU H . . F . 48 ARG HD2 . fSH2 . 22 . HN . . . fSH2 . 48 . HD* . . rr_1aot 1 1097 2 OR . 1 1 48 48 ARG HD3 H . . . 1 1 22 22 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG HD3 . . F . 22 LEU H . fSH2 . 48 . HD* . . . fSH2 . 22 . HN . . rr_1aot 1 1098 1 . . 1 1 58 58 VAL MG2 H . . . 1 1 22 22 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL MG2 . . F . 22 LEU H . fSH2 . 58 . HG2* . . . fSH2 . 22 . HN . . rr_1aot 1 1099 1 . . 1 1 22 22 LEU MD1 H . . . 1 1 56 56 ASP HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 22 LEU MD1 . . F . 56 ASP HB3 . fSH2 . 22 . HD1* . . . fSH2 . 56 . HB1 . . rr_1aot 1 1100 1 . . 1 1 56 56 ASP HA H . . . 1 1 22 22 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 56 ASP HA . . F . 22 LEU MD2 . fSH2 . 56 . HA . . . fSH2 . 22 . HD2* . . rr_1aot 1 1101 1 . . 1 1 56 56 ASP HB3 H . . . 1 1 22 22 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 56 ASP HB3 . . F . 22 LEU MD2 . fSH2 . 56 . HB1 . . . fSH2 . 22 . HD2* . . rr_1aot 1 1102 1 . . 1 1 56 56 ASP HB2 H . . . 1 1 22 22 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 56 ASP HB2 . . F . 22 LEU MD2 . fSH2 . 56 . HB2 . . . fSH2 . 22 . HD2* . . rr_1aot 1 1103 1 . . 1 1 57 57 HIS H H . . . 1 1 22 22 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 57 HIS H . . F . 22 LEU MD2 . fSH2 . 57 . HN . . . fSH2 . 22 . HD2* . . rr_1aot 1 1104 1 . . 1 1 58 58 VAL H H . . . 1 1 22 22 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL H . . F . 22 LEU MD2 . fSH2 . 58 . HN . . . fSH2 . 22 . HD2* . . rr_1aot 1 1105 1 . . 1 1 30 30 THR HG1 H . . . 1 1 27 27 PRO HD3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR HG1 . . F . 27 PRO HD3 . fSH2 . 30 . HG1 . . . fSH2 . 27 . HD1 . . rr_1aot 1 1106 1 . . 1 1 50 50 TRP HB3 H . . . 1 1 28 28 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HB3 . . F . 28 ARG H . fSH2 . 50 . HB1 . . . fSH2 . 28 . HN . . rr_1aot 1 1107 1 OR . 1 1 28 28 ARG H H . . . 1 1 48 48 ARG HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 28 ARG H . . F . 48 ARG HB2 . fSH2 . 28 . HN . . . fSH2 . 48 . HB* . . rr_1aot 1 1107 2 OR . 1 1 28 28 ARG H H . . . 1 1 48 48 ARG HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 28 ARG H . . F . 48 ARG HB3 . fSH2 . 28 . HN . . . fSH2 . 48 . HB* . . rr_1aot 1 1108 1 . . 1 1 28 28 ARG HA H . . . 1 1 49 49 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 28 ARG HA . . F . 49 ASP H . fSH2 . 28 . HA . . . fSH2 . 49 . HN . . rr_1aot 1 1109 1 OR . 1 1 30 30 THR H H . . . 1 1 28 28 ARG HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 28 ARG HB2 . fSH2 . 30 . HN . . . fSH2 . 28 . HB* . . rr_1aot 1 1109 2 OR . 1 1 28 28 ARG HB3 H . . . 1 1 30 30 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 28 ARG HB3 . . F . 30 THR H . fSH2 . 28 . HB* . . . fSH2 . 30 . HN . . rr_1aot 1 1110 1 OR . 1 1 29 29 GLY H H . . . 1 1 47 47 ILE HG12 H . . . . . 0.0 -1.8 5.0 . . . . . F . 29 GLY H . . F . 47 ILE HG12 . fSH2 . 29 . HN . . . fSH2 . 47 . HG1* . . rr_1aot 1 1110 2 OR . 1 1 29 29 GLY H H . . . 1 1 47 47 ILE HG13 H . . . . . 0.0 -1.8 5.0 . . . . . F . 29 GLY H . . F . 47 ILE HG13 . fSH2 . 29 . HN . . . fSH2 . 47 . HG1* . . rr_1aot 1 1111 1 . . 1 1 47 47 ILE MD H . . . 1 1 29 29 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE MD . . F . 29 GLY H . fSH2 . 47 . HD1* . . . fSH2 . 29 . HN . . rr_1aot 1 1112 1 . . 1 1 49 49 ASP HA H . . . 1 1 29 29 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP HA . . F . 29 GLY H . fSH2 . 49 . HA* . . . fSH2 . 29 . HN . . rr_1aot 1 1113 1 . . 1 1 30 30 THR H H . . . 1 1 47 47 ILE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 47 ILE HA . fSH2 . 30 . HN . . . fSH2 . 47 . HA . . rr_1aot 1 1114 1 . . 1 1 30 30 THR H H . . . 1 1 48 48 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 48 ARG H . fSH2 . 30 . HN . . . fSH2 . 48 . HN . . rr_1aot 1 1115 1 OR . 1 1 30 30 THR H H . . . 1 1 48 48 ARG HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 48 ARG HB2 . fSH2 . 30 . HN . . . fSH2 . 48 . HB* . . rr_1aot 1 1115 2 OR . 1 1 30 30 THR H H . . . 1 1 48 48 ARG HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 48 ARG HB3 . fSH2 . 30 . HN . . . fSH2 . 48 . HB* . . rr_1aot 1 1116 1 OR . 1 1 30 30 THR H H . . . 1 1 48 48 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 48 ARG HD2 . fSH2 . 30 . HN . . . fSH2 . 48 . HD* . . rr_1aot 1 1116 2 OR . 1 1 30 30 THR H H . . . 1 1 48 48 ARG HD3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 48 ARG HD3 . fSH2 . 30 . HN . . . fSH2 . 48 . HD* . . rr_1aot 1 1117 1 . . 1 1 30 30 THR H H . . . 1 1 49 49 ASP HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 49 ASP HA . fSH2 . 30 . HN . . . fSH2 . 49 . HA . . rr_1aot 1 1118 1 . . 1 1 30 30 THR H H . . . 1 1 101 101 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 101 VAL MG1 . fSH2 . 30 . HN . . . fSH2 . 101 . HG1* . . rr_1aot 1 1119 1 . . 1 1 30 30 THR H H . . . 1 1 102 102 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 102 VAL MG2 . fSH2 . 30 . HN . . . fSH2 . 102 . HG2* . . rr_1aot 1 1120 1 . . 1 1 30 30 THR H H . . . 1 1 102 102 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR H . . F . 102 VAL MG2 . fSH2 . 30 . HN . . . fSH2 . 102 . HG2* . . rr_1aot 1 1121 1 . . 1 1 48 48 ARG H H . . . 1 1 30 30 THR HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG H . . F . 30 THR HB . fSH2 . 48 . HN . . . fSH2 . 30 . HB* . . rr_1aot 1 1122 1 . . 1 1 30 30 THR MG H . . . 1 1 48 48 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR MG . . F . 48 ARG H . fSH2 . 30 . HG2* . . . fSH2 . 48 . HN . . rr_1aot 1 1123 1 . . 1 1 30 30 THR HG1 H . . . 1 1 102 102 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR HG1 . . F . 102 VAL MG2 . fSH2 . 30 . HG1 . . . fSH2 . 102 . HG2* . . rr_1aot 1 1124 1 . . 1 1 102 102 VAL MG2 H . . . 1 1 31 31 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 102 VAL MG2 . . F . 31 PHE H . fSH2 . 102 . HG2* . . . fSH2 . 31 . HN . . rr_1aot 1 1125 1 . . 1 1 102 102 VAL H H . . . 1 1 31 31 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 102 VAL H . . F . 31 PHE H . fSH2 . 102 . HN . . . fSH2 . 31 . HN . . rr_1aot 1 1126 1 . . 1 1 47 47 ILE HA H . . . 1 1 31 31 PHE HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 47 ILE HA . . F . 31 PHE HA . fSH2 . 47 . HA . . . fSH2 . 31 . HA . . rr_1aot 1 1127 1 . . 1 1 48 48 ARG H H . . . 1 1 31 31 PHE HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 48 ARG H . . F . 31 PHE HA . fSH2 . 48 . HN . . . fSH2 . 31 . HA . . rr_1aot 1 1128 1 . . 1 1 46 46 SER H H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 46 SER H . . F . 32 LEU H . fSH2 . 46 . HN . . . fSH2 . 32 . HN . . rr_1aot 1 1129 1 . . 1 1 32 32 LEU H H . . . 1 1 45 45 LEU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 32 LEU H . . F . 45 LEU HA . fSH2 . 32 . HN . . . fSH2 . 45 . HA . . rr_1aot 1 1130 1 . . 1 1 47 47 ILE HA H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE HA . . F . 32 LEU H . fSH2 . 47 . HA . . . fSH2 . 32 . HN . . rr_1aot 1 1131 1 . . 1 1 46 46 SER HB3 H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 46 SER HB3 . . F . 32 LEU H . fSH2 . 46 . HB1 . . . fSH2 . 32 . HN . . rr_1aot 1 1132 1 . . 1 1 46 46 SER HB2 H . . . 1 1 32 32 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 46 SER HB2 . . F . 32 LEU H . fSH2 . 46 . HB2 . . . fSH2 . 32 . HN . . rr_1aot 1 1133 1 . . 1 1 32 32 LEU MD2 H . . . 1 1 46 46 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 32 LEU MD2 . . F . 46 SER H . fSH2 . 32 . HD2* . . . fSH2 . 46 . HN . . rr_1aot 1 1134 1 . . 1 1 45 45 LEU HA H . . . 1 1 33 33 ILE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU HA . . F . 33 ILE HA . fSH2 . 45 . HA . . . fSH2 . 33 . HA . . rr_1aot 1 1135 1 . . 1 1 46 46 SER H H . . . 1 1 33 33 ILE HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 46 SER H . . F . 33 ILE HA . fSH2 . 46 . HN . . . fSH2 . 33 . HA . . rr_1aot 1 1136 1 . . 1 1 33 33 ILE MG H . . . 1 1 82 82 LEU MD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 33 ILE MG . . F . 82 LEU MD2 . fSH2 . 33 . HG2* . . . fSH2 . 82 . HD2* . . rr_1aot 1 1137 1 . . 1 1 33 33 ILE MG H . . . 1 1 82 82 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 33 ILE MG . . F . 82 LEU MD1 . fSH2 . 33 . HG2* . . . fSH2 . 82 . HD1* . . rr_1aot 1 1138 1 . . 1 1 34 34 ARG H H . . . 1 1 43 43 TYR HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 34 ARG H . . F . 43 TYR HB3 . fSH2 . 34 . HN . . . fSH2 . 43 . HB1 . . rr_1aot 1 1139 1 . . 1 1 44 44 SER H H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 3.5 . . . . . F . 44 SER H . . F . 34 ARG H . fSH2 . 44 . HN . . . fSH2 . 34 . HN . . rr_1aot 1 1140 1 . . 1 1 44 44 SER HB3 H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER HB3 . . F . 34 ARG H . fSH2 . 44 . HB1 . . . fSH2 . 34 . HN . . rr_1aot 1 1141 1 . . 1 1 44 44 SER HB2 H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER HB2 . . F . 34 ARG H . fSH2 . 44 . HB2 . . . fSH2 . 34 . HN . . rr_1aot 1 1142 1 . . 1 1 45 45 LEU H H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU H . . F . 34 ARG H . fSH2 . 45 . HN . . . fSH2 . 34 . HN . . rr_1aot 1 1143 1 . . 1 1 45 45 LEU HA H . . . 1 1 34 34 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU HA . . F . 34 ARG H . fSH2 . 45 . HA . . . fSH2 . 34 . HN . . rr_1aot 1 1144 1 . . 1 1 43 43 TYR QD H . . . 1 1 35 35 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR QD . . F . 35 GLU H . fSH2 . 43 . HD* . . . fSH2 . 35 . HN . . rr_1aot 1 1145 1 . . 1 1 44 44 SER H H . . . 1 1 35 35 GLU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER H . . F . 35 GLU HA . fSH2 . 44 . HN* . . . fSH2 . 35 . HA . . rr_1aot 1 1146 1 . . 1 1 43 43 TYR HA H . . . 1 1 35 35 GLU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR HA . . F . 35 GLU HA . fSH2 . 43 . HA . . . fSH2 . 35 . HA . . rr_1aot 1 1147 1 . . 1 1 43 43 TYR H H . . . 1 1 35 35 GLU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR H . . F . 35 GLU HA . fSH2 . 43 . HN . . . fSH2 . 35 . HA . . rr_1aot 1 1148 1 . . 1 1 43 43 TYR QD H . . . 1 1 35 35 GLU HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 43 TYR QD . . F . 35 GLU HA . fSH2 . 43 . HD* . . . fSH2 . 35 . HA . . rr_1aot 1 1149 1 . . 1 1 36 36 SER H H . . . 1 1 42 42 ALA HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 36 SER H . . F . 42 ALA HA . fSH2 . 36 . HN . . . fSH2 . 42 . HA . . rr_1aot 1 1150 1 . . 1 1 44 44 SER H H . . . 1 1 36 36 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER H . . F . 36 SER H . fSH2 . 44 . HN . . . fSH2 . 36 . HN . . rr_1aot 1 1151 1 . . 1 1 36 36 SER H H . . . 1 1 42 42 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 36 SER H . . F . 42 ALA H . fSH2 . 36 . HN . . . fSH2 . 42 . HN . . rr_1aot 1 1152 1 . . 1 1 43 43 TYR HA H . . . 1 1 36 36 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 43 TYR HA . . F . 36 SER H . fSH2 . 43 . HA . . . fSH2 . 36 . HN . . rr_1aot 1 1153 1 . . 1 1 36 36 SER H H . . . 1 1 43 43 TYR HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 36 SER H . . F . 43 TYR HB2 . fSH2 . 36 . HN . . . fSH2 . 43 . HB2 . . rr_1aot 1 1154 1 . . 1 1 36 36 SER H H . . . 1 1 43 43 TYR HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 36 SER H . . F . 43 TYR HB3 . fSH2 . 36 . HN . . . fSH2 . 43 . HB1 . . rr_1aot 1 1155 1 . . 1 1 42 42 ALA MB H . . . 1 1 36 36 SER H H . . . . . 0.0 -1.8 3.5 . . . . . F . 42 ALA MB . . F . 36 SER H . fSH2 . 42 . HB* . . . fSH2 . 36 . HN . . rr_1aot 1 1156 1 . . 1 1 42 42 ALA H H . . . 1 1 36 36 SER HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 42 ALA H . . F . 36 SER HB2 . fSH2 . 42 . HN . . . fSH2 . 36 . HB2 . . rr_1aot 1 1157 1 . . 1 1 43 43 TYR H H . . . 1 1 36 36 SER HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR H . . F . 36 SER HB2 . fSH2 . 43 . HN . . . fSH2 . 36 . HB2 . . rr_1aot 1 1158 1 . . 1 1 42 42 ALA H H . . . 1 1 36 36 SER HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 42 ALA H . . F . 36 SER HB3 . fSH2 . 42 . HN . . . fSH2 . 36 . HB1 . . rr_1aot 1 1159 1 . . 1 1 43 43 TYR H H . . . 1 1 36 36 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR H . . F . 36 SER H . fSH2 . 43 . HN . . . fSH2 . 36 . HN . . rr_1aot 1 1160 1 OR . 1 1 38 38 THR HB H . . . 1 1 62 62 LYS HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 38 THR HB . . F . 62 LYS HG2 . fSH2 . 38 . HB . . . fSH2 . 62 . HG* . . rr_1aot 1 1160 2 OR . 1 1 62 62 LYS HG3 H . . . 1 1 38 38 THR HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 62 LYS HG3 . . F . 38 THR HB . fSH2 . 62 . HG* . . . fSH2 . 38 . HB . . rr_1aot 1 1161 1 . . 1 1 43 43 TYR H H . . . 1 1 63 63 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR H . . F . 63 ILE H . fSH2 . 43 . HN . . . fSH2 . 63 . HN . . rr_1aot 1 1162 1 . . 1 1 43 43 TYR H H . . . 1 1 63 63 ILE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR H . . F . 63 ILE HA . fSH2 . 43 . HN . . . fSH2 . 63 . HA . . rr_1aot 1 1163 1 . . 1 1 43 43 TYR H H . . . 1 1 63 63 ILE HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 43 TYR H . . F . 63 ILE HB . fSH2 . 43 . HN . . . fSH2 . 63 . HB* . . rr_1aot 1 1164 1 . . 1 1 43 43 TYR H H . . . 1 1 63 63 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR H . . F . 63 ILE MD . fSH2 . 43 . HN . . . fSH2 . 63 . HD1* . . rr_1aot 1 1165 1 . . 1 1 43 43 TYR H H . . . 1 1 64 64 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR H . . F . 64 ARG H . fSH2 . 43 . HN . . . fSH2 . 64 . HN . . rr_1aot 1 1166 1 . . 1 1 43 43 TYR H H . . . 1 1 63 63 ILE MG H . . . . . 0.0 -1.8 3.5 . . . . . F . 43 TYR H . . F . 63 ILE MG . fSH2 . 43 . HN . . . fSH2 . 63 . HG2* . . rr_1aot 1 1167 1 . . 1 1 43 43 TYR HA H . . . 1 1 63 63 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 43 TYR HA . . F . 63 ILE H . fSH2 . 43 . HA . . . fSH2 . 63 . HN . . rr_1aot 1 1168 1 OR . 1 1 63 63 ILE H H . . . 1 1 43 43 TYR HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 63 ILE H . . F . 43 TYR HB2 . fSH2 . 63 . HN . . . fSH2 . 43 . HB* . . rr_1aot 1 1168 2 OR . 1 1 63 63 ILE H H . . . 1 1 43 43 TYR HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 63 ILE H . . F . 43 TYR HB3 . fSH2 . 63 . HN . . . fSH2 . 43 . HB* . . rr_1aot 1 1169 1 . . 1 1 82 82 LEU MD2 H . . . 1 1 43 43 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . F . 82 LEU MD2 . . F . 43 TYR QD . fSH2 . 82 . HD2* . . . fSH2 . 43 . HD* . . rr_1aot 1 1170 1 . . 1 1 82 82 LEU MD1 H . . . 1 1 43 43 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . F . 82 LEU MD1 . . F . 43 TYR QD . fSH2 . 82 . HD1* . . . fSH2 . 43 . HD* . . rr_1aot 1 1171 1 . . 1 1 44 44 SER H H . . . 1 1 63 63 ILE HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 44 SER H . . F . 63 ILE HB . fSH2 . 44 . HN . . . fSH2 . 63 . HB* . . rr_1aot 1 1172 1 . . 1 1 44 44 SER H H . . . 1 1 63 63 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER H . . F . 63 ILE MD . fSH2 . 44 . HN . . . fSH2 . 63 . HD1* . . rr_1aot 1 1173 1 . . 1 1 44 44 SER HA H . . . 1 1 63 63 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER HA . . F . 63 ILE H . fSH2 . 44 . HA . . . fSH2 . 63 . HN . . rr_1aot 1 1174 1 . . 1 1 44 44 SER HA H . . . 1 1 62 62 LYS HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER HA . . F . 62 LYS HA . fSH2 . 44 . HA . . . fSH2 . 62 . HA . . rr_1aot 1 1175 1 . . 1 1 61 61 TYR H H . . . 1 1 44 44 SER HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR H . . F . 44 SER HA . fSH2 . 61 . HN . . . fSH2 . 44 . HA . . rr_1aot 1 1176 1 . . 1 1 62 62 LYS H H . . . 1 1 44 44 SER HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 62 LYS H . . F . 44 SER HA . fSH2 . 62 . HN . . . fSH2 . 44 . HA . . rr_1aot 1 1177 1 . . 1 1 44 44 SER HB2 H . . . 1 1 63 63 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 44 SER HB2 . . F . 63 ILE H . fSH2 . 44 . HB2 . . . fSH2 . 63 . HN . . rr_1aot 1 1178 1 . . 1 1 45 45 LEU H H . . . 1 1 60 60 HIS HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU H . . F . 60 HIS HA . fSH2 . 45 . HN* . . . fSH2 . 60 . HA . . rr_1aot 1 1179 1 . . 1 1 61 61 TYR H H . . . 1 1 45 45 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 61 TYR H . . F . 45 LEU H . fSH2 . 61 . HN* . . . fSH2 . 45 . HN* . . rr_1aot 1 1180 1 . . 1 1 45 45 LEU H H . . . 1 1 62 62 LYS HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 45 LEU H . . F . 62 LYS HA . fSH2 . 45 . HN* . . . fSH2 . 62 . HA* . . rr_1aot 1 1181 1 OR . 1 1 45 45 LEU H H . . . 1 1 61 61 TYR HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 45 LEU H . . F . 61 TYR HB3 . fSH2 . 45 . HN* . . . fSH2 . 61 . HB* . . rr_1aot 1 1181 2 OR . 1 1 45 45 LEU H H . . . 1 1 61 61 TYR HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 45 LEU H . . F . 61 TYR HB2 . fSH2 . 45 . HN* . . . fSH2 . 61 . HB* . . rr_1aot 1 1182 1 OR . 1 1 45 45 LEU H H . . . 1 1 63 63 ILE HG12 H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU H . . F . 63 ILE HG12 . fSH2 . 45 . HN* . . . fSH2 . 63 . HG1* . . rr_1aot 1 1182 2 OR . 1 1 45 45 LEU H H . . . 1 1 63 63 ILE HG13 H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU H . . F . 63 ILE HG13 . fSH2 . 45 . HN* . . . fSH2 . 63 . HG1* . . rr_1aot 1 1183 1 . . 1 1 45 45 LEU H H . . . 1 1 73 73 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU H . . F . 73 ILE MD . fSH2 . 45 . HN* . . . fSH2 . 73 . HD1* . . rr_1aot 1 1184 1 OR . 1 1 61 61 TYR H H . . . 1 1 45 45 LEU HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 61 TYR H . . F . 45 LEU HB3 . fSH2 . 61 . HN* . . . fSH2 . 45 . HB* . . rr_1aot 1 1184 2 OR . 1 1 61 61 TYR H H . . . 1 1 45 45 LEU HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 61 TYR H . . F . 45 LEU HB2 . fSH2 . 61 . HN* . . . fSH2 . 45 . HB* . . rr_1aot 1 1185 1 . . 1 1 61 61 TYR H H . . . 1 1 45 45 LEU HG H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR H . . F . 45 LEU HG . fSH2 . 61 . HN* . . . fSH2 . 45 . HG* . . rr_1aot 1 1186 1 . . 1 1 61 61 TYR H H . . . 1 1 45 45 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR H . . F . 45 LEU MD1 . fSH2 . 61 . HN* . . . fSH2 . 45 . HD1* . . rr_1aot 1 1187 1 . . 1 1 61 61 TYR H H . . . 1 1 45 45 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR H . . F . 45 LEU MD2 . fSH2 . 61 . HN* . . . fSH2 . 45 . HD2* . . rr_1aot 1 1188 1 . . 1 1 61 61 TYR HB3 H . . . 1 1 45 45 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR HB3 . . F . 45 LEU MD2 . fSH2 . 61 . HB1 . . . fSH2 . 45 . HD2* . . rr_1aot 1 1189 1 . . 1 1 45 45 LEU MD2 H . . . 1 1 61 61 TYR HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU MD2 . . F . 61 TYR HB2 . fSH2 . 45 . HD2* . . . fSH2 . 61 . HB2 . . rr_1aot 1 1190 1 . . 1 1 61 61 TYR QD H . . . 1 1 45 45 LEU MD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 61 TYR QD . . F . 45 LEU MD2 . fSH2 . 61 . HD* . . . fSH2 . 45 . HD2* . . rr_1aot 1 1191 1 . . 1 1 61 61 TYR QE H . . . 1 1 45 45 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR QE . . F . 45 LEU MD2 . fSH2 . 61 . HE* . . . fSH2 . 45 . HD2* . . rr_1aot 1 1192 1 . . 1 1 73 73 ILE MD H . . . 1 1 45 45 LEU MD2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 73 ILE MD . . F . 45 LEU MD2 . fSH2 . 73 . HD1* . . . fSH2 . 45 . HD2* . . rr_1aot 1 1193 1 . . 1 1 45 45 LEU MD2 H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU MD2 . . F . 89 TYR QD . fSH2 . 45 . HD2* . . . fSH2 . 89 . HD* . . rr_1aot 1 1194 1 . . 1 1 100 100 LEU MD1 H . . . 1 1 45 45 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 100 LEU MD1 . . F . 45 LEU MD2 . fSH2 . 100 . HD1* . . . fSH2 . 45 . HD2* . . rr_1aot 1 1195 1 . . 1 1 100 100 LEU MD2 H . . . 1 1 45 45 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 100 LEU MD2 . . F . 45 LEU MD2 . fSH2 . 100 . HD2* . . . fSH2 . 45 . HD2* . . rr_1aot 1 1196 1 . . 1 1 46 46 SER HA H . . . 1 1 59 59 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 46 SER HA . . F . 59 LYS H . fSH2 . 46 . HA . . . fSH2 . 59 . HN . . rr_1aot 1 1197 1 . . 1 1 60 60 HIS H H . . . 1 1 46 46 SER HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS H . . F . 46 SER HA . fSH2 . 60 . HN . . . fSH2 . 46 . HA . . rr_1aot 1 1198 1 . . 1 1 61 61 TYR H H . . . 1 1 46 46 SER HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 61 TYR H . . F . 46 SER HA . fSH2 . 61 . HN . . . fSH2 . 46 . HA . . rr_1aot 1 1199 1 . . 1 1 46 46 SER HA H . . . 1 1 60 60 HIS HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 46 SER HA . . F . 60 HIS HA . fSH2 . 46 . HA . . . fSH2 . 60 . HA . . rr_1aot 1 1200 1 . . 1 1 46 46 SER HA H . . . 1 1 60 60 HIS HE1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 46 SER HA . . F . 60 HIS HE1 . fSH2 . 46 . HA . . . fSH2 . 60 . HE1 . . rr_1aot 1 1201 1 . . 1 1 46 46 SER HB3 H . . . 1 1 58 58 VAL MG2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 46 SER HB3 . . F . 58 VAL MG2 . fSH2 . 46 . HB1 . . . fSH2 . 58 . HG2* . . rr_1aot 1 1202 1 . . 1 1 46 46 SER HB2 H . . . 1 1 58 58 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 46 SER HB2 . . F . 58 VAL MG2 . fSH2 . 46 . HB2 . . . fSH2 . 58 . HG2* . . rr_1aot 1 1203 1 . . 1 1 47 47 ILE H H . . . 1 1 60 60 HIS HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 47 ILE H . . F . 60 HIS HA . fSH2 . 47 . HN . . . fSH2 . 60 . HA . . rr_1aot 1 1204 1 . . 1 1 47 47 ILE H H . . . 1 1 58 58 VAL MG2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 47 ILE H . . F . 58 VAL MG2 . fSH2 . 47 . HN . . . fSH2 . 58 . HG2* . . rr_1aot 1 1205 1 . . 1 1 47 47 ILE H H . . . 1 1 59 59 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE H . . F . 59 LYS H . fSH2 . 47 . HN . . . fSH2 . 59 . HN . . rr_1aot 1 1206 1 . . 1 1 60 60 HIS H H . . . 1 1 47 47 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS H . . F . 47 ILE H . fSH2 . 60 . HN . . . fSH2 . 47 . HN . . rr_1aot 1 1207 1 . . 1 1 61 61 TYR H H . . . 1 1 47 47 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR H . . F . 47 ILE H . fSH2 . 61 . HN . . . fSH2 . 47 . HN . . rr_1aot 1 1208 1 . . 1 1 60 60 HIS H H . . . 1 1 47 47 ILE MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS H . . F . 47 ILE MG . fSH2 . 60 . HN . . . fSH2 . 47 . HG2* . . rr_1aot 1 1209 1 . . 1 1 61 61 TYR QD H . . . 1 1 47 47 ILE MG H . . . . . 0.0 -1.8 3.5 . . . . . F . 61 TYR QD . . F . 47 ILE MG . fSH2 . 61 . HD* . . . fSH2 . 47 . HG2* . . rr_1aot 1 1210 1 . . 1 1 61 61 TYR QE H . . . 1 1 47 47 ILE MG H . . . . . 0.0 -1.8 3.5 . . . . . F . 61 TYR QE . . F . 47 ILE MG . fSH2 . 61 . HE* . . . fSH2 . 47 . HG2* . . rr_1aot 1 1211 1 . . 1 1 97 97 SER H H . . . 1 1 47 47 ILE MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 97 SER H . . F . 47 ILE MG . fSH2 . 97 . HN . . . fSH2 . 47 . HG2* . . rr_1aot 1 1212 1 . . 1 1 47 47 ILE MG H . . . 1 1 98 98 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE MG . . F . 98 SER H . fSH2 . 47 . HG2* . . . fSH2 . 98 . HN . . rr_1aot 1 1213 1 . . 1 1 60 60 HIS H H . . . 1 1 47 47 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS H . . F . 47 ILE MD . fSH2 . 60 . HN . . . fSH2 . 47 . HD1* . . rr_1aot 1 1214 1 . . 1 1 61 61 TYR QE H . . . 1 1 47 47 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR QE . . F . 47 ILE MD . fSH2 . 61 . HE* . . . fSH2 . 47 . HD1* . . rr_1aot 1 1215 1 . . 1 1 97 97 SER H H . . . 1 1 47 47 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 97 SER H . . F . 47 ILE MD . fSH2 . 97 . HN . . . fSH2 . 47 . HD1* . . rr_1aot 1 1216 1 . . 1 1 47 47 ILE MD H . . . 1 1 98 98 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE MD . . F . 98 SER H . fSH2 . 47 . HD1* . . . fSH2 . 98 . HN . . rr_1aot 1 1217 1 . . 1 1 48 48 ARG H H . . . 1 1 58 58 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG H . . F . 58 VAL MG2 . fSH2 . 48 . HN . . . fSH2 . 58 . HG2* . . rr_1aot 1 1218 1 . . 1 1 48 48 ARG HA H . . . 1 1 57 57 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG HA . . F . 57 HIS H . fSH2 . 48 . HA . . . fSH2 . 57 . HN . . rr_1aot 1 1219 1 . . 1 1 48 48 ARG HA H . . . 1 1 58 58 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG HA . . F . 58 VAL H . fSH2 . 48 . HA . . . fSH2 . 58 . HN . . rr_1aot 1 1220 1 . . 1 1 48 48 ARG HA H . . . 1 1 59 59 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG HA . . F . 59 LYS H . fSH2 . 48 . HA . . . fSH2 . 59 . HN . . rr_1aot 1 1221 1 . . 1 1 49 49 ASP H H . . . 1 1 57 57 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP H . . F . 57 HIS H . fSH2 . 49 . HN . . . fSH2 . 57 . HN . . rr_1aot 1 1222 1 . . 1 1 49 49 ASP H H . . . 1 1 58 58 VAL HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 49 ASP H . . F . 58 VAL HA . fSH2 . 49 . HN . . . fSH2 . 58 . HA . . rr_1aot 1 1223 1 . . 1 1 49 49 ASP H H . . . 1 1 58 58 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP H . . F . 58 VAL MG1 . fSH2 . 49 . HN . . . fSH2 . 58 . HG1* . . rr_1aot 1 1224 1 . . 1 1 49 49 ASP H H . . . 1 1 58 58 VAL MG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP H . . F . 58 VAL MG2 . fSH2 . 49 . HN . . . fSH2 . 58 . HG2* . . rr_1aot 1 1225 1 . . 1 1 49 49 ASP H H . . . 1 1 58 58 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP H . . F . 58 VAL H . fSH2 . 49 . HN . . . fSH2 . 58 . HN . . rr_1aot 1 1226 1 . . 1 1 49 49 ASP H H . . . 1 1 59 59 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP H . . F . 59 LYS H . fSH2 . 49 . HN . . . fSH2 . 59 . HN . . rr_1aot 1 1227 1 . . 1 1 50 50 TRP HA H . . . 1 1 55 55 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HA . . F . 55 GLY H . fSH2 . 50 . HA . . . fSH2 . 55 . HN . . rr_1aot 1 1228 1 . . 1 1 50 50 TRP HA H . . . 1 1 56 56 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HA . . F . 56 ASP H . fSH2 . 50 . HA . . . fSH2 . 56 . HN . . rr_1aot 1 1229 1 . . 1 1 50 50 TRP HA H . . . 1 1 57 57 HIS H H . . . . . 0.0 -1.8 3.5 . . . . . F . 50 TRP HA . . F . 57 HIS H . fSH2 . 50 . HA . . . fSH2 . 57 . HN . . rr_1aot 1 1230 1 . . 1 1 50 50 TRP HD1 H . . . 1 1 55 55 GLY HA3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 50 TRP HD1 . . F . 55 GLY HA3 . fSH2 . 50 . HD1 . . . fSH2 . 55 . HA1 . . rr_1aot 1 1231 1 . . 1 1 50 50 TRP HD1 H . . . 1 1 56 56 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HD1 . . F . 56 ASP H . fSH2 . 50 . HD1 . . . fSH2 . 56 . HN . . rr_1aot 1 1232 1 . . 1 1 50 50 TRP HD1 H . . . 1 1 56 56 ASP HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 50 TRP HD1 . . F . 56 ASP HA . fSH2 . 50 . HD1 . . . fSH2 . 56 . HA . . rr_1aot 1 1233 1 . . 1 1 50 50 TRP HD1 H . . . 1 1 57 57 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HD1 . . F . 57 HIS H . fSH2 . 50 . HD1 . . . fSH2 . 57 . HN . . rr_1aot 1 1234 1 . . 1 1 55 55 GLY H H . . . 1 1 50 50 TRP HE1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 55 GLY H . . F . 50 TRP HE1 . fSH2 . 55 . HN . . . fSH2 . 50 . HE1 . . rr_1aot 1 1235 1 . . 1 1 55 55 GLY HA3 H . . . 1 1 50 50 TRP HE1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 55 GLY HA3 . . F . 50 TRP HE1 . fSH2 . 55 . HA1 . . . fSH2 . 50 . HE1 . . rr_1aot 1 1236 1 . . 1 1 56 56 ASP H H . . . 1 1 50 50 TRP HE1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 56 ASP H . . F . 50 TRP HE1 . fSH2 . 56 . HN . . . fSH2 . 50 . HE1 . . rr_1aot 1 1237 1 . . 1 1 50 50 TRP HE3 H . . . 1 1 56 56 ASP HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 50 TRP HE3 . . F . 56 ASP HA . fSH2 . 50 . HE3 . . . fSH2 . 56 . HA . . rr_1aot 1 1238 1 . . 1 1 51 51 ASP H H . . . 1 1 56 56 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 51 ASP H . . F . 56 ASP H . fSH2 . 51 . HN* . . . fSH2 . 56 . HN* . . rr_1aot 1 1239 1 . . 1 1 51 51 ASP H H . . . 1 1 57 57 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 51 ASP H . . F . 57 HIS H . fSH2 . 51 . HN* . . . fSH2 . 57 . HN* . . rr_1aot 1 1240 1 . . 1 1 51 51 ASP H H . . . 1 1 56 56 ASP HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 51 ASP H . . F . 56 ASP HA . fSH2 . 51 . HN* . . . fSH2 . 56 . HA* . . rr_1aot 1 1241 1 . . 1 1 61 61 TYR H H . . . 1 1 73 73 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR H . . F . 73 ILE MD . fSH2 . 61 . HN . . . fSH2 . 73 . HD1* . . rr_1aot 1 1242 1 . . 1 1 61 61 TYR H H . . . 1 1 73 73 ILE MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR H . . F . 73 ILE MG . fSH2 . 61 . HN . . . fSH2 . 73 . HG2* . . rr_1aot 1 1243 1 . . 1 1 61 61 TYR HB3 H . . . 1 1 73 73 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR HB3 . . F . 73 ILE MD . fSH2 . 61 . HB1 . . . fSH2 . 73 . HD1* . . rr_1aot 1 1244 1 . . 1 1 73 73 ILE MD H . . . 1 1 61 61 TYR HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE MD . . F . 61 TYR HB2 . fSH2 . 73 . HD1* . . . fSH2 . 61 . HB2 . . rr_1aot 1 1245 1 OR . 1 1 73 73 ILE HB H . . . 1 1 61 61 TYR HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 73 ILE HB . . F . 61 TYR HB2 . fSH2 . 73 . HB . . . fSH2 . 61 . HB* . . rr_1aot 1 1245 2 OR . 1 1 61 61 TYR HB3 H . . . 1 1 73 73 ILE HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 61 TYR HB3 . . F . 73 ILE HB . fSH2 . 61 . HB* . . . fSH2 . 73 . HB . . rr_1aot 1 1246 1 . . 1 1 61 61 TYR QD H . . . 1 1 73 73 ILE HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR QD . . F . 73 ILE HB . fSH2 . 61 . HD* . . . fSH2 . 73 . HB . . rr_1aot 1 1247 1 . . 1 1 73 73 ILE MG H . . . 1 1 61 61 TYR QD H . . . . . 0.0 -1.8 2.7 . . . . . F . 73 ILE MG . . F . 61 TYR QD . fSH2 . 73 . HG2* . . . fSH2 . 61 . HD* . . rr_1aot 1 1248 1 . . 1 1 61 61 TYR QD H . . . 1 1 96 96 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 61 TYR QD . . F . 96 LEU MD1 . fSH2 . 61 . HD* . . . fSH2 . 96 . HD1* . . rr_1aot 1 1249 1 . . 1 1 61 61 TYR QE H . . . 1 1 96 96 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 61 TYR QE . . F . 96 LEU MD1 . fSH2 . 61 . HE* . . . fSH2 . 96 . HD1* . . rr_1aot 1 1250 1 . . 1 1 61 61 TYR QE H . . . 1 1 97 97 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR QE . . F . 97 SER H . fSH2 . 61 . HE* . . . fSH2 . 97 . HN . . rr_1aot 1 1251 1 . . 1 1 61 61 TYR QE H . . . 1 1 73 73 ILE MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 61 TYR QE . . F . 73 ILE MG . fSH2 . 61 . HE* . . . fSH2 . 73 . HG2* . . rr_1aot 1 1252 1 . . 1 1 62 62 LYS H H . . . 1 1 73 73 ILE MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 62 LYS H . . F . 73 ILE MG . fSH2 . 62 . HN* . . . fSH2 . 73 . HG2* . . rr_1aot 1 1253 1 OR . 1 1 72 72 TYR H H . . . 1 1 63 63 ILE HG13 H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR H . . F . 63 ILE HG13 . fSH2 . 72 . HN . . . fSH2 . 63 . HG1* . . rr_1aot 1 1253 2 OR . 1 1 72 72 TYR H H . . . 1 1 63 63 ILE HG12 H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR H . . F . 63 ILE HG12 . fSH2 . 72 . HN . . . fSH2 . 63 . HG1* . . rr_1aot 1 1254 1 OR . 1 1 73 73 ILE H H . . . 1 1 63 63 ILE HG13 H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE H . . F . 63 ILE HG13 . fSH2 . 73 . HN . . . fSH2 . 63 . HG1* . . rr_1aot 1 1254 2 OR . 1 1 73 73 ILE H H . . . 1 1 63 63 ILE HG12 H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE H . . F . 63 ILE HG12 . fSH2 . 73 . HN . . . fSH2 . 63 . HG1* . . rr_1aot 1 1255 1 . . 1 1 63 63 ILE MG H . . . 1 1 72 72 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 63 ILE MG . . F . 72 TYR H . fSH2 . 63 . HG2* . . . fSH2 . 72 . HN . . rr_1aot 1 1256 1 . . 1 1 63 63 ILE MG H . . . 1 1 73 73 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 63 ILE MG . . F . 73 ILE H . fSH2 . 63 . HG2* . . . fSH2 . 73 . HN . . rr_1aot 1 1257 1 . . 1 1 63 63 ILE MD H . . . 1 1 73 73 ILE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 63 ILE MD . . F . 73 ILE HA . fSH2 . 63 . HD1* . . . fSH2 . 73 . HA . . rr_1aot 1 1258 1 . . 1 1 63 63 ILE MD H . . . 1 1 73 73 ILE MD H . . . . . 0.0 -1.8 3.5 . . . . . F . 63 ILE MD . . F . 73 ILE MD . fSH2 . 63 . HD1* . . . fSH2 . 73 . HD1* . . rr_1aot 1 1259 1 . . 1 1 64 64 ARG H H . . . 1 1 72 72 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 64 ARG H . . F . 72 TYR H . fSH2 . 64 . HN . . . fSH2 . 72 . HN . . rr_1aot 1 1260 1 . . 1 1 64 64 ARG H H . . . 1 1 71 71 TYR HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 64 ARG H . . F . 71 TYR HA . fSH2 . 64 . HN . . . fSH2 . 71 . HA . . rr_1aot 1 1261 1 . . 1 1 64 64 ARG H H . . . 1 1 71 71 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 64 ARG H . . F . 71 TYR QD . fSH2 . 64 . HN . . . fSH2 . 71 . HD* . . rr_1aot 1 1262 1 . . 1 1 64 64 ARG H H . . . 1 1 72 72 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 64 ARG H . . F . 72 TYR QD . fSH2 . 64 . HN . . . fSH2 . 72 . HD* . . rr_1aot 1 1263 1 . . 1 1 64 64 ARG H H . . . 1 1 72 72 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 64 ARG H . . F . 72 TYR QE . fSH2 . 64 . HN . . . fSH2 . 72 . HE* . . rr_1aot 1 1264 1 . . 1 1 65 65 LYS H H . . . 1 1 71 71 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 65 LYS H . . F . 71 TYR QD . fSH2 . 65 . HN . . . fSH2 . 71 . HD* . . rr_1aot 1 1265 1 . . 1 1 65 65 LYS H H . . . 1 1 72 72 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 65 LYS H . . F . 72 TYR QE . fSH2 . 65 . HN . . . fSH2 . 72 . HE* . . rr_1aot 1 1266 1 . . 1 1 65 65 LYS H H . . . 1 1 71 71 TYR HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 65 LYS H . . F . 71 TYR HA . fSH2 . 65 . HN . . . fSH2 . 71 . HA . . rr_1aot 1 1267 1 . . 1 1 65 65 LYS HA H . . . 1 1 71 71 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 65 LYS HA . . F . 71 TYR H . fSH2 . 65 . HA . . . fSH2 . 71 . HN . . rr_1aot 1 1268 1 . . 1 1 65 65 LYS HA H . . . 1 1 72 72 TYR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 65 LYS HA . . F . 72 TYR H . fSH2 . 65 . HA . . . fSH2 . 72 . HN . . rr_1aot 1 1269 1 . . 1 1 65 65 LYS HA H . . . 1 1 71 71 TYR HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 65 LYS HA . . F . 71 TYR HA . fSH2 . 65 . HA . . . fSH2 . 71 . HA . . rr_1aot 1 1270 1 . . 1 1 65 65 LYS HA H . . . 1 1 72 72 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . F . 65 LYS HA . . F . 72 TYR QD . fSH2 . 65 . HA . . . fSH2 . 72 . HD* . . rr_1aot 1 1271 1 . . 1 1 65 65 LYS HA H . . . 1 1 72 72 TYR QE H . . . . . 0.0 -1.8 3.5 . . . . . F . 65 LYS HA . . F . 72 TYR QE . fSH2 . 65 . HA . . . fSH2 . 72 . HE* . . rr_1aot 1 1272 1 . . 1 1 66 66 LEU H H . . . 1 1 71 71 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU H . . F . 71 TYR H . fSH2 . 66 . HN . . . fSH2 . 71 . HN . . rr_1aot 1 1273 1 . . 1 1 66 66 LEU H H . . . 1 1 72 72 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU H . . F . 72 TYR H . fSH2 . 66 . HN . . . fSH2 . 72 . HN . . rr_1aot 1 1274 1 . . 1 1 66 66 LEU H H . . . 1 1 71 71 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU H . . F . 71 TYR QD . fSH2 . 66 . HN . . . fSH2 . 71 . HD* . . rr_1aot 1 1275 1 . . 1 1 66 66 LEU H H . . . 1 1 72 72 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . F . 66 LEU H . . F . 72 TYR QD . fSH2 . 66 . HN . . . fSH2 . 72 . HD* . . rr_1aot 1 1276 1 . . 1 1 66 66 LEU H H . . . 1 1 72 72 TYR QE H . . . . . 0.0 -1.8 3.5 . . . . . F . 66 LEU H . . F . 72 TYR QE . fSH2 . 66 . HN . . . fSH2 . 72 . HE* . . rr_1aot 1 1277 1 . . 1 1 66 66 LEU H H . . . 1 1 71 71 TYR HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 66 LEU H . . F . 71 TYR HA . fSH2 . 66 . HN . . . fSH2 . 71 . HA* . . rr_1aot 1 1278 1 . . 1 1 66 66 LEU HA H . . . 1 1 72 72 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU HA . . F . 72 TYR QD . fSH2 . 66 . HA . . . fSH2 . 72 . HD* . . rr_1aot 1 1279 1 . . 1 1 66 66 LEU HA H . . . 1 1 72 72 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU HA . . F . 72 TYR QE . fSH2 . 66 . HA . . . fSH2 . 72 . HE* . . rr_1aot 1 1280 1 OR . 1 1 71 71 TYR H H . . . 1 1 66 66 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR H . . F . 66 LEU MD1 . fSH2 . 71 . HN . . . fSH2 . 66 . HD* . . rr_1aot 1 1280 2 OR . 1 1 71 71 TYR H H . . . 1 1 66 66 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR H . . F . 66 LEU MD2 . fSH2 . 71 . HN . . . fSH2 . 66 . HD* . . rr_1aot 1 1281 1 OR . 1 1 72 72 TYR H H . . . 1 1 66 66 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR H . . F . 66 LEU MD1 . fSH2 . 72 . HN . . . fSH2 . 66 . HD* . . rr_1aot 1 1281 2 OR . 1 1 72 72 TYR H H . . . 1 1 66 66 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR H . . F . 66 LEU MD2 . fSH2 . 72 . HN . . . fSH2 . 66 . HD* . . rr_1aot 1 1282 1 . . 1 1 72 72 TYR QD H . . . 1 1 66 66 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 72 TYR QD . . F . 66 LEU MD1 . fSH2 . 72 . HD* . . . fSH2 . 66 . HD1* . . rr_1aot 1 1283 1 . . 1 1 72 72 TYR QE H . . . 1 1 66 66 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 72 TYR QE . . F . 66 LEU MD1 . fSH2 . 72 . HE* . . . fSH2 . 66 . HD1* . . rr_1aot 1 1284 1 . . 1 1 72 72 TYR QD H . . . 1 1 66 66 LEU MD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 72 TYR QD . . F . 66 LEU MD2 . fSH2 . 72 . HD* . . . fSH2 . 66 . HD2* . . rr_1aot 1 1285 1 . . 1 1 72 72 TYR QE H . . . 1 1 66 66 LEU MD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 72 TYR QE . . F . 66 LEU MD2 . fSH2 . 72 . HE* . . . fSH2 . 66 . HD2* . . rr_1aot 1 1286 1 . . 1 1 66 66 LEU MD2 H . . . 1 1 78 78 GLN HE21 H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU MD2 . . F . 78 GLN HE21 . fSH2 . 66 . HD2* . . . fSH2 . 78 . HE21 . . rr_1aot 1 1287 1 . . 1 1 66 66 LEU MD2 H . . . 1 1 78 78 GLN HE22 H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU MD2 . . F . 78 GLN HE22 . fSH2 . 66 . HD2* . . . fSH2 . 78 . HE22 . . rr_1aot 1 1288 1 . . 1 1 79 79 PHE H H . . . 1 1 66 66 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 79 PHE H . . F . 66 LEU MD2 . fSH2 . 79 . HN . . . fSH2 . 66 . HD2* . . rr_1aot 1 1289 1 . . 1 1 70 70 GLY H H . . . 1 1 79 79 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 70 GLY H . . F . 79 PHE H . fSH2 . 70 . HN . . . fSH2 . 79 . HN . . rr_1aot 1 1290 1 . . 1 1 70 70 GLY HA3 H . . . 1 1 79 79 PHE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 70 GLY HA3 . . F . 79 PHE H . fSH2 . 70 . HA1 . . . fSH2 . 79 . HN . . rr_1aot 1 1291 1 . . 1 1 79 79 PHE H H . . . 1 1 70 70 GLY HA2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 79 PHE H . . F . 70 GLY HA2 . fSH2 . 79 . HN . . . fSH2 . 70 . HA2 . . rr_1aot 1 1292 1 . . 1 1 70 70 GLY H H . . . 1 1 80 80 GLU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 70 GLY H . . F . 80 GLU HA . fSH2 . 70 . HN . . . fSH2 . 80 . HA . . rr_1aot 1 1293 1 OR . 1 1 71 71 TYR H H . . . 1 1 79 79 PHE HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 71 TYR H . . F . 79 PHE HB2 . fSH2 . 71 . HN . . . fSH2 . 79 . HB* . . rr_1aot 1 1293 2 OR . 1 1 71 71 TYR H H . . . 1 1 79 79 PHE HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 71 TYR H . . F . 79 PHE HB3 . fSH2 . 71 . HN . . . fSH2 . 79 . HB* . . rr_1aot 1 1294 1 . . 1 1 71 71 TYR H H . . . 1 1 79 79 PHE QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR H . . F . 79 PHE QD . fSH2 . 71 . HN . . . fSH2 . 79 . HD* . . rr_1aot 1 1295 1 . . 1 1 71 71 TYR H H . . . 1 1 78 78 GLN HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR H . . F . 78 GLN HA . fSH2 . 71 . HN . . . fSH2 . 78 . HA . . rr_1aot 1 1296 1 . . 1 1 71 71 TYR H H . . . 1 1 78 78 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 71 TYR H . . F . 78 GLN HB2 . fSH2 . 71 . HN . . . fSH2 . 78 . HB2 . . rr_1aot 1 1297 1 . . 1 1 71 71 TYR H H . . . 1 1 80 80 GLU HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 71 TYR H . . F . 80 GLU HA . fSH2 . 71 . HN . . . fSH2 . 80 . HA . . rr_1aot 1 1298 1 . . 1 1 71 71 TYR H H . . . 1 1 79 79 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR H . . F . 79 PHE H . fSH2 . 71 . HN . . . fSH2 . 79 . HN . . rr_1aot 1 1299 1 . . 1 1 71 71 TYR H H . . . 1 1 81 81 THR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR H . . F . 81 THR H . fSH2 . 71 . HN . . . fSH2 . 81 . HN . . rr_1aot 1 1300 1 . . 1 1 71 71 TYR HB2 H . . . 1 1 79 79 PHE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 71 TYR HB2 . . F . 79 PHE H . fSH2 . 71 . HB2 . . . fSH2 . 79 . HN . . rr_1aot 1 1301 1 . . 1 1 71 71 TYR QD H . . . 1 1 81 81 THR HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 71 TYR QD . . F . 81 THR HA . fSH2 . 71 . HD* . . . fSH2 . 81 . HA . . rr_1aot 1 1302 1 . . 1 1 71 71 TYR QD H . . . 1 1 81 81 THR HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR QD . . F . 81 THR HB . fSH2 . 71 . HD* . . . fSH2 . 81 . HB . . rr_1aot 1 1303 1 . . 1 1 71 71 TYR QD H . . . 1 1 81 81 THR MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR QD . . F . 81 THR MG . fSH2 . 71 . HD* . . . fSH2 . 81 . HG2* . . rr_1aot 1 1304 1 . . 1 1 71 71 TYR QD H . . . 1 1 82 82 LEU HG H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR QD . . F . 82 LEU HG . fSH2 . 71 . HD* . . . fSH2 . 82 . HG . . rr_1aot 1 1305 1 . . 1 1 71 71 TYR QD H . . . 1 1 82 82 LEU MD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 71 TYR QD . . F . 82 LEU MD2 . fSH2 . 71 . HD* . . . fSH2 . 82 . HD2* . . rr_1aot 1 1306 1 . . 1 1 71 71 TYR QD H . . . 1 1 82 82 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 71 TYR QD . . F . 82 LEU MD1 . fSH2 . 71 . HD* . . . fSH2 . 82 . HD1* . . rr_1aot 1 1307 1 . . 1 1 81 81 THR HA H . . . 1 1 71 71 TYR QE H . . . . . 0.0 -1.8 2.7 . . . . . F . 81 THR HA . . F . 71 TYR QE . fSH2 . 81 . HA . . . fSH2 . 71 . HE* . . rr_1aot 1 1308 1 . . 1 1 81 81 THR HB H . . . 1 1 71 71 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HB . . F . 71 TYR QE . fSH2 . 81 . HB . . . fSH2 . 71 . HE* . . rr_1aot 1 1309 1 . . 1 1 81 81 THR MG H . . . 1 1 71 71 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR MG . . F . 71 TYR QE . fSH2 . 81 . HG2* . . . fSH2 . 71 . HE* . . rr_1aot 1 1310 1 . . 1 1 82 82 LEU HG H . . . 1 1 71 71 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU HG . . F . 71 TYR QE . fSH2 . 82 . HG . . . fSH2 . 71 . HE* . . rr_1aot 1 1311 1 . . 1 1 82 82 LEU MD2 H . . . 1 1 71 71 TYR QE H . . . . . 0.0 -1.8 3.5 . . . . . F . 82 LEU MD2 . . F . 71 TYR QE . fSH2 . 82 . HD2* . . . fSH2 . 71 . HE* . . rr_1aot 1 1312 1 . . 1 1 82 82 LEU MD1 H . . . 1 1 71 71 TYR QE H . . . . . 0.0 -1.8 3.5 . . . . . F . 82 LEU MD1 . . F . 71 TYR QE . fSH2 . 82 . HD1* . . . fSH2 . 71 . HE* . . rr_1aot 1 1313 1 . . 1 1 72 72 TYR H H . . . 1 1 78 78 GLN HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR H . . F . 78 GLN HA . fSH2 . 72 . HN . . . fSH2 . 78 . HA . . rr_1aot 1 1314 1 . . 1 1 72 72 TYR HA H . . . 1 1 79 79 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR HA . . F . 79 PHE H . fSH2 . 72 . HA . . . fSH2 . 79 . HN . . rr_1aot 1 1315 1 . . 1 1 72 72 TYR HA H . . . 1 1 78 78 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR HA . . F . 78 GLN H . fSH2 . 72 . HA . . . fSH2 . 78 . HN . . rr_1aot 1 1316 1 . . 1 1 72 72 TYR HB2 H . . . 1 1 77 77 ALA H H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR HB2 . . F . 77 ALA H . fSH2 . 72 . HB2 . . . fSH2 . 77 . HN . . rr_1aot 1 1317 1 . . 1 1 77 77 ALA H H . . . 1 1 72 72 TYR HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 77 ALA H . . F . 72 TYR HB3 . fSH2 . 77 . HN . . . fSH2 . 72 . HB1 . . rr_1aot 1 1318 1 . . 1 1 78 78 GLN H H . . . 1 1 72 72 TYR HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 78 GLN H . . F . 72 TYR HB3 . fSH2 . 78 . HN . . . fSH2 . 72 . HB1 . . rr_1aot 1 1319 1 . . 1 1 72 72 TYR QD H . . . 1 1 73 73 ILE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QD . . F . 73 ILE HA . fSH2 . 72 . HD* . . . fSH2 . 73 . HA . . rr_1aot 1 1320 1 . . 1 1 72 72 TYR QD H . . . 1 1 78 78 GLN HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QD . . F . 78 GLN HA . fSH2 . 72 . HD* . . . fSH2 . 78 . HA . . rr_1aot 1 1321 1 . . 1 1 72 72 TYR QD H . . . 1 1 75 75 THR HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 72 TYR QD . . F . 75 THR HA . fSH2 . 72 . HD* . . . fSH2 . 75 . HA . . rr_1aot 1 1322 1 . . 1 1 72 72 TYR QD H . . . 1 1 75 75 THR HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QD . . F . 75 THR HB . fSH2 . 72 . HD* . . . fSH2 . 75 . HB . . rr_1aot 1 1323 1 . . 1 1 72 72 TYR QD H . . . 1 1 78 78 GLN HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QD . . F . 78 GLN HG2 . fSH2 . 72 . HD* . . . fSH2 . 78 . HG2 . . rr_1aot 1 1324 1 . . 1 1 72 72 TYR QD H . . . 1 1 78 78 GLN HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QD . . F . 78 GLN HG3 . fSH2 . 72 . HD* . . . fSH2 . 78 . HG1 . . rr_1aot 1 1325 1 . . 1 1 72 72 TYR QE H . . . 1 1 75 75 THR HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QE . . F . 75 THR HA . fSH2 . 72 . HE* . . . fSH2 . 75 . HA . . rr_1aot 1 1326 1 . . 1 1 72 72 TYR QE H . . . 1 1 73 73 ILE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QE . . F . 73 ILE HA . fSH2 . 72 . HE* . . . fSH2 . 73 . HA . . rr_1aot 1 1327 1 . . 1 1 72 72 TYR QE H . . . 1 1 75 75 THR HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QE . . F . 75 THR HB . fSH2 . 72 . HE* . . . fSH2 . 75 . HB . . rr_1aot 1 1328 1 . . 1 1 73 73 ILE MD H . . . 1 1 85 85 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 73 ILE MD . . F . 85 LEU MD1 . fSH2 . 73 . HD1* . . . fSH2 . 85 . HD1* . . rr_1aot 1 1329 1 . . 1 1 73 73 ILE MD H . . . 1 1 96 96 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 73 ILE MD . . F . 96 LEU MD1 . fSH2 . 73 . HD1* . . . fSH2 . 96 . HD1* . . rr_1aot 1 1330 1 . . 1 1 73 73 ILE MD H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE MD . . F . 89 TYR QD . fSH2 . 73 . HD1* . . . fSH2 . 89 . HD* . . rr_1aot 1 1331 1 . . 1 1 73 73 ILE MD H . . . 1 1 89 89 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 73 ILE MD . . F . 89 TYR QE . fSH2 . 73 . HD1* . . . fSH2 . 89 . HE* . . rr_1aot 1 1332 1 . . 1 1 73 73 ILE MG H . . . 1 1 96 96 LEU MD1 H . . . . . 0.0 -1.8 3.5 . . . . . F . 73 ILE MG . . F . 96 LEU MD1 . fSH2 . 73 . HG2* . . . fSH2 . 96 . HD1* . . rr_1aot 1 1333 1 . . 1 1 79 79 PHE H H . . . 1 1 85 85 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 79 PHE H . . F . 85 LEU MD2 . fSH2 . 79 . HN . . . fSH2 . 85 . HD2* . . rr_1aot 1 1334 1 OR . 1 1 84 84 GLN H H . . . 1 1 79 79 PHE HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 84 GLN H . . F . 79 PHE HB2 . fSH2 . 84 . HN . . . fSH2 . 79 . HB* . . rr_1aot 1 1334 2 OR . 1 1 79 79 PHE HB3 H . . . 1 1 84 84 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 79 PHE HB3 . . F . 84 GLN H . fSH2 . 79 . HB* . . . fSH2 . 84 . HN . . rr_1aot 1 1335 1 OR . 1 1 85 85 LEU H H . . . 1 1 79 79 PHE HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 85 LEU H . . F . 79 PHE HB2 . fSH2 . 85 . HN . . . fSH2 . 79 . HB* . . rr_1aot 1 1335 2 OR . 1 1 79 79 PHE HB3 H . . . 1 1 85 85 LEU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 79 PHE HB3 . . F . 85 LEU H . fSH2 . 79 . HB* . . . fSH2 . 85 . HN . . rr_1aot 1 1336 1 . . 1 1 88 88 HIS HA H . . . 1 1 79 79 PHE HZ H . . . . . 0.0 -1.8 5.0 . . . . . F . 88 HIS HA . . F . 79 PHE HZ . fSH2 . 88 . HA . . . fSH2 . 79 . HZ . . rr_1aot 1 1337 1 . . 1 1 88 88 HIS HB3 H . . . 1 1 79 79 PHE HZ H . . . . . 0.0 -1.8 5.0 . . . . . F . 88 HIS HB3 . . F . 79 PHE HZ . fSH2 . 88 . HB1 . . . fSH2 . 79 . HZ . . rr_1aot 1 1338 1 . . 1 1 88 88 HIS HB2 H . . . 1 1 79 79 PHE HZ H . . . . . 0.0 -1.8 5.0 . . . . . F . 88 HIS HB2 . . F . 79 PHE HZ . fSH2 . 88 . HB2 . . . fSH2 . 79 . HZ . . rr_1aot 1 1339 1 . . 1 1 79 79 PHE HZ H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 79 PHE HZ . . F . 89 TYR QD . fSH2 . 79 . HZ . . . fSH2 . 89 . HD* . . rr_1aot 1 1340 1 . . 1 1 89 89 TYR QE H . . . 1 1 79 79 PHE HZ H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR QE . . F . 79 PHE HZ . fSH2 . 89 . HE* . . . fSH2 . 79 . HZ . . rr_1aot 1 1341 1 . . 1 1 85 85 LEU MD1 H . . . 1 1 100 100 LEU MD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 85 LEU MD1 . . F . 100 LEU MD2 . fSH2 . 85 . HD1* . . . fSH2 . 100 . HD2* . . rr_1aot 1 1342 1 . . 1 1 85 85 LEU HA H . . . 1 1 100 100 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU HA . . F . 100 LEU MD2 . fSH2 . 85 . HA . . . fSH2 . 100 . HD2* . . rr_1aot 1 1343 1 . . 1 1 100 100 LEU MD2 H . . . 1 1 86 86 VAL HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 100 LEU MD2 . . F . 86 VAL HB . fSH2 . 100 . HD2* . . . fSH2 . 86 . HB . . rr_1aot 1 1344 1 . . 1 1 100 100 LEU MD2 H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 100 LEU MD2 . . F . 86 VAL H . fSH2 . 100 . HD2* . . . fSH2 . 86 . HN . . rr_1aot 1 1345 1 . . 1 1 89 89 TYR H H . . . 1 1 100 100 LEU HG H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR H . . F . 100 LEU HG . fSH2 . 89 . HN . . . fSH2 . 100 . HG . . rr_1aot 1 1346 1 . . 1 1 89 89 TYR H H . . . 1 1 100 100 LEU MD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 89 TYR H . . F . 100 LEU MD2 . fSH2 . 89 . HN . . . fSH2 . 100 . HD2* . . rr_1aot 1 1347 1 . . 1 1 89 89 TYR H H . . . 1 1 100 100 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR H . . F . 100 LEU MD1 . fSH2 . 89 . HN . . . fSH2 . 100 . HD1* . . rr_1aot 1 1348 1 . . 1 1 89 89 TYR HA H . . . 1 1 100 100 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR HA . . F . 100 LEU H . fSH2 . 89 . HA . . . fSH2 . 100 . HN . . rr_1aot 1 1349 1 . . 1 1 89 89 TYR HA H . . . 1 1 100 100 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR HA . . F . 100 LEU MD2 . fSH2 . 89 . HA . . . fSH2 . 100 . HD2* . . rr_1aot 1 1350 1 . . 1 1 89 89 TYR HB3 H . . . 1 1 100 100 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR HB3 . . F . 100 LEU MD2 . fSH2 . 89 . HB1 . . . fSH2 . 100 . HD2* . . rr_1aot 1 1351 1 . . 1 1 89 89 TYR HB3 H . . . 1 1 100 100 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR HB3 . . F . 100 LEU H . fSH2 . 89 . HB1 . . . fSH2 . 100 . HN . . rr_1aot 1 1352 1 . . 1 1 89 89 TYR HB3 H . . . 1 1 100 100 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR HB3 . . F . 100 LEU MD1 . fSH2 . 89 . HB1 . . . fSH2 . 100 . HD1* . . rr_1aot 1 1353 1 . . 1 1 89 89 TYR QD H . . . 1 1 94 94 ALA MB H . . . . . 0.0 -1.8 2.7 . . . . . F . 89 TYR QD . . F . 94 ALA MB . fSH2 . 89 . HD* . . . fSH2 . 94 . HB* . . rr_1aot 1 1354 1 . . 1 1 96 96 LEU MD2 H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . F . 96 LEU MD2 . . F . 89 TYR QD . fSH2 . 96 . HD2* . . . fSH2 . 89 . HD* . . rr_1aot 1 1355 1 . . 1 1 96 96 LEU MD1 H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU MD1 . . F . 89 TYR QD . fSH2 . 96 . HD1* . . . fSH2 . 89 . HD* . . rr_1aot 1 1356 1 . . 1 1 100 100 LEU MD2 H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . F . 100 LEU MD2 . . F . 89 TYR QD . fSH2 . 100 . HD2* . . . fSH2 . 89 . HD* . . rr_1aot 1 1357 1 . . 1 1 89 89 TYR QE H . . . 1 1 94 94 ALA MB H . . . . . 0.0 -1.8 2.7 . . . . . F . 89 TYR QE . . F . 94 ALA MB . fSH2 . 89 . HE* . . . fSH2 . 94 . HB* . . rr_1aot 1 1358 1 . . 1 1 96 96 LEU H H . . . 1 1 89 89 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU H . . F . 89 TYR QE . fSH2 . 96 . HN . . . fSH2 . 89 . HE* . . rr_1aot 1 1359 1 . . 1 1 96 96 LEU MD2 H . . . 1 1 89 89 TYR QE H . . . . . 0.0 -1.8 3.5 . . . . . F . 96 LEU MD2 . . F . 89 TYR QE . fSH2 . 96 . HD2* . . . fSH2 . 89 . HE* . . rr_1aot 1 1360 1 . . 1 1 89 89 TYR QE H . . . 1 1 96 96 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR QE . . F . 96 LEU MD1 . fSH2 . 89 . HE* . . . fSH2 . 96 . HD1* . . rr_1aot 1 1361 1 . . 1 1 90 90 SER H H . . . 1 1 100 100 LEU HG H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER H . . F . 100 LEU HG . fSH2 . 90 . HN . . . fSH2 . 100 . HG . . rr_1aot 1 1362 1 . . 1 1 90 90 SER H H . . . 1 1 100 100 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER H . . F . 100 LEU MD1 . fSH2 . 90 . HN . . . fSH2 . 100 . HD1* . . rr_1aot 1 1363 1 . . 1 1 90 90 SER H H . . . 1 1 100 100 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER H . . F . 100 LEU MD2 . fSH2 . 90 . HN . . . fSH2 . 100 . HD2* . . rr_1aot 1 1364 1 . . 1 1 90 90 SER HB3 H . . . 1 1 100 100 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER HB3 . . F . 100 LEU MD1 . fSH2 . 90 . HB1 . . . fSH2 . 100 . HD1* . . rr_1aot 1 1365 1 . . 1 1 90 90 SER HB2 H . . . 1 1 100 100 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER HB2 . . F . 100 LEU MD1 . fSH2 . 90 . HB2 . . . fSH2 . 100 . HD1* . . rr_1aot 1 1366 1 . . 1 1 90 90 SER HB2 H . . . 1 1 100 100 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 90 SER HB2 . . F . 100 LEU MD2 . fSH2 . 90 . HB2 . . . fSH2 . 100 . HD2* . . rr_1aot 1 1367 1 OR . 1 1 91 91 GLU H H . . . 1 1 99 99 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 91 GLU H . . F . 99 ARG HD2 . fSH2 . 91 . HN . . . fSH2 . 99 . HD* . . rr_1aot 1 1367 2 OR . 1 1 91 91 GLU H H . . . 1 1 99 99 ARG HD3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 91 GLU H . . F . 99 ARG HD3 . fSH2 . 91 . HN . . . fSH2 . 99 . HD* . . rr_1aot 1 1368 1 . . 1 1 91 91 GLU H H . . . 1 1 100 100 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 91 GLU H . . F . 100 LEU MD1 . fSH2 . 91 . HN . . . fSH2 . 100 . HD1* . . rr_1aot 1 1369 1 . . 1 1 91 91 GLU H H . . . 1 1 100 100 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 91 GLU H . . F . 100 LEU MD2 . fSH2 . 91 . HN . . . fSH2 . 100 . HD2* . . rr_1aot 1 1370 1 OR . 1 1 92 92 ARG H H . . . 1 1 99 99 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG H . . F . 99 ARG HD2 . fSH2 . 92 . HN . . . fSH2 . 99 . HD* . . rr_1aot 1 1370 2 OR . 1 1 92 92 ARG H H . . . 1 1 99 99 ARG HD3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG H . . F . 99 ARG HD3 . fSH2 . 92 . HN . . . fSH2 . 99 . HD* . . rr_1aot 1 1371 1 . . 1 1 92 92 ARG H H . . . 1 1 100 100 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG H . . F . 100 LEU MD2 . fSH2 . 92 . HN . . . fSH2 . 100 . HD2* . . rr_1aot 1 1372 1 . . 1 1 92 92 ARG H H . . . 1 1 100 100 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 92 ARG H . . F . 100 LEU MD1 . fSH2 . 92 . HN . . . fSH2 . 100 . HD1* . . rr_1aot 1 1373 1 OR . 1 1 93 93 ALA H H . . . 1 1 99 99 ARG HD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 93 ALA H . . F . 99 ARG HD2 . fSH2 . 93 . HN . . . fSH2 . 99 . HD* . . rr_1aot 1 1373 2 OR . 1 1 93 93 ALA H H . . . 1 1 99 99 ARG HD3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 93 ALA H . . F . 99 ARG HD3 . fSH2 . 93 . HN . . . fSH2 . 99 . HD* . . rr_1aot 1 1374 1 . . 1 1 99 99 ARG H H . . . 1 1 93 93 ALA HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 99 ARG H . . F . 93 ALA HA . fSH2 . 99 . HN . . . fSH2 . 93 . HA . . rr_1aot 1 1375 1 . . 1 1 100 100 LEU H H . . . 1 1 93 93 ALA HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 100 LEU H . . F . 93 ALA HA . fSH2 . 100 . HN . . . fSH2 . 93 . HA . . rr_1aot 1 1376 1 . . 1 1 93 93 ALA MB H . . . 1 1 98 98 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 93 ALA MB . . F . 98 SER H . fSH2 . 93 . HB* . . . fSH2 . 98 . HN . . rr_1aot 1 1377 1 . . 1 1 93 93 ALA MB H . . . 1 1 99 99 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 93 ALA MB . . F . 99 ARG H . fSH2 . 93 . HB* . . . fSH2 . 99 . HN . . rr_1aot 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; Residue E1 (201) Intra-residue Intra-peptide peptide-protein Residue P2 (202) Intra-residue Intra-peptide ; 1 1 8 15 rr_1aot 1 2 ; peptide-protein Residue Q3 (203) Intra-residue ; 11 1 15 15 rr_1aot 1 3 Intra-peptide 24 1 24 15 rr_1aot 1 4 ; peptide-protein Residue pY4 (204) Intra-residue ; 29 1 32 15 rr_1aot 1 5 ; Intra-peptide peptide-protein ; 37 1 39 17 rr_1aot 1 6 ; Residue E5 (205) Intra-residue ; 59 1 60 15 rr_1aot 1 7 Intra-peptide 66 1 66 15 rr_1aot 1 8 peptide-protein 73 1 73 17 rr_1aot 1 9 ; Residue E6 (206) Intra-residue ; 80 1 81 15 rr_1aot 1 10 Intra-peptide 84 1 84 15 rr_1aot 1 11 ; peptide-protein Residue I7 (207) Intra-residue ; 89 1 93 15 rr_1aot 1 12 ; Intra-peptide peptide-protein ; 98 1 99 17 rr_1aot 1 13 'm.c. 5.0' 104 107 104 116 rr_1aot 1 14 'm.c. 5.0' 105 107 105 116 rr_1aot 1 15 ; Residue P8 (208) Intra-residue Intra-peptide ; 113 1 115 15 rr_1aot 1 16 ; peptide-protein Residue I9 (209) Intra-residue ; 117 1 121 15 rr_1aot 1 17 Intra-peptide 124 1 124 15 rr_1aot 1 18 ; peptide-protein Residue Y10 (210) Intra-residue ; 130 1 134 15 rr_1aot 1 19 Intra-peptide 146 1 146 15 rr_1aot 1 20 ; peptide-protein Residue L11 (211) Intra-residue ; 151 1 155 15 rr_1aot 1 21 ; Intra-peptide peptide-protein INTRARESIDUE NOES Residue 143 (1) Residue 144 (2) Residue 145 (3) ; 158 1 169 17 rr_1aot 1 22 'Residue 146 (4)' 175 1 175 17 rr_1aot 1 23 'Residue 147 (5)' 179 1 179 17 rr_1aot 1 24 'Residue 148 (6)' 184 1 184 17 rr_1aot 1 25 'Residue 149 (7)' 189 1 189 17 rr_1aot 1 26 ; assign ( segid "fSH2" and resid 7 and name hb1 )( segid "fSH2" and resid 7 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 7 and name hb1 )( segid "fSH2" and resid 7 and name hd1 ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 7 and name hb2 )( segid "fSH2" and resid 7 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 7 and name hb2 )( segid "fSH2" and resid 7 and name hd1 ) 0.0 1.8 5.0 ; 193 1 196 103 rr_1aot 1 27 'Residue 150 (8)' 204 1 204 17 rr_1aot 1 28 'Residue 151 (9)' 210 1 210 17 rr_1aot 1 29 ; Residue 152 (10) assign ( segid "fSH2" and resid 10 and name ha1 )( segid "fSH2" and resid 10 and name hn ) 0.0 1.8 3.5 !2.7 m.c. assign ( segid "fSH2" and resid 10 and name ha2 )( segid "fSH2" and resid 10 and name hn ) 0.0 1.8 3.5 !2.7 m.c. ; 216 1 218 114 rr_1aot 1 30 '2.7 m.c.' 219 104 219 113 rr_1aot 1 31 ; 2.7 m.c. Residue 153 (11) ; 220 104 222 18 rr_1aot 1 32 '2.7 m.c.' 223 104 223 113 rr_1aot 1 33 'Residue 154 (12)' 227 1 227 18 rr_1aot 1 34 '2.7 m.c.' 228 105 228 114 rr_1aot 1 35 'Residue 155 (13)' 236 1 236 18 rr_1aot 1 36 ; assign ( segid "fSH2" and resid 13 and name ha2 )( segid "fSH2" and resid 13 and name hn* ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 13 and name ha1 )( segid "fSH2" and resid 13 and name hn* ) 0.0 1.8 3.5 Residue 156 (14) ; 239 1 242 18 rr_1aot 1 37 'Residue 157 (15)' 248 1 248 18 rr_1aot 1 38 'Residue 158 (16)' 252 1 252 18 rr_1aot 1 39 ; assign ( segid "fSH2" and resid 16 and name hb1* )( segid "fSH2" and resid 16 and name hn* ) 0.0 1.8 2.7 assign ( segid "fSH2" and resid 16 and name hb2* )( segid "fSH2" and resid 16 and name hn* ) 0.0 1.8 2.7 ; 254 1 255 106 rr_1aot 1 40 'Residue 159 (17)' 259 1 259 18 rr_1aot 1 41 ; Residue 160 (18) assign ( segid "fSH2" and resid 18 and name hg1* )( segid "fSH2" and resid 18 and name hn* ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 18 and name hg2* )( segid "fSH2" and resid 18 and name hn* ) 0.0 1.8 3.5 ; 263 1 265 106 rr_1aot 1 42 'Residue 161 (19)' 272 1 272 18 rr_1aot 1 43 'Residue 162 (20)' 280 1 280 18 rr_1aot 1 44 'Residue 163 (21)' 285 1 285 18 rr_1aot 1 45 'Residue 164 (22)' 289 1 289 18 rr_1aot 1 46 'Residue 165 (23)' 294 1 294 18 rr_1aot 1 47 'Residue 166 (24)' 298 1 298 18 rr_1aot 1 48 'Residue 167 (25)' 305 1 305 18 rr_1aot 1 49 'Residue 168 (26)' 309 1 309 18 rr_1aot 1 50 ; Residue 169 (27) Residue 170 (28) ; 313 1 315 18 rr_1aot 1 51 'Residue 171 (29)' 319 1 319 18 rr_1aot 1 52 'Residue 172 (30)' 323 1 323 18 rr_1aot 1 53 'Residue 173 (31)' 330 1 330 18 rr_1aot 1 54 'Residue 174 (32)' 336 1 336 18 rr_1aot 1 55 'Residue 175 (33)' 342 1 342 18 rr_1aot 1 56 'Residue 176 (34)' 349 1 349 18 rr_1aot 1 57 'Residue 177 (35)' 352 1 352 18 rr_1aot 1 58 'Residue 178 (36)' 358 1 358 18 rr_1aot 1 59 ; assign ( segid "fSH2" and resid 36 and name hb1* )( segid "fSH2" and resid 36 and name hn* ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 36 and name hb2* )( segid "fSH2" and resid 36 and name hn* ) 0.0 1.8 3.5 ; 360 1 361 106 rr_1aot 1 60 'Residue 179 (37)' 366 1 366 18 rr_1aot 1 61 'Residue 180 (38)' 371 1 371 18 rr_1aot 1 62 'Residue 181 (39)' 376 1 376 18 rr_1aot 1 63 'Residue 182 (40)' 381 1 381 18 rr_1aot 1 64 'Residue 183 (41)' 386 1 386 18 rr_1aot 1 65 'Residue 184 (42)' 389 1 389 18 rr_1aot 1 66 'Residue 185 (43)' 393 1 393 18 rr_1aot 1 67 '2.7 m.c.' 394 106 394 115 rr_1aot 1 68 'Residue 186 (44)' 398 1 398 18 rr_1aot 1 69 'Residue 187 (45)' 403 1 403 18 rr_1aot 1 70 'Residue 188 (46)' 408 1 408 18 rr_1aot 1 71 'Residue 189 (47)' 413 1 413 18 rr_1aot 1 72 '3.5 olp' 415 105 415 113 rr_1aot 1 73 'Residue 190 (48)' 419 1 419 18 rr_1aot 1 74 'Residue 191 (49)' 423 1 423 18 rr_1aot 1 75 ; Residue 192 (50) assign ( segid "fSH2" and resid 50 and name hd1 )( segid "fSH2" and resid 50 and name hn ) 0.0 1.8 5.0 !v.w. ; 427 1 428 111 rr_1aot 1 76 '3.5 olp' 435 105 435 113 rr_1aot 1 77 ; 3.5 olp Residue 193 (51) ; 436 105 438 18 rr_1aot 1 78 ; 3.5 olp Residue 194 (52) Residue 195 (53) ; 439 105 443 18 rr_1aot 1 79 'Residue 196 (54)' 453 1 453 18 rr_1aot 1 80 'Residue 197 (55)' 457 1 457 18 rr_1aot 1 81 ; assign ( segid "fSH2" and resid 55 and name ha2 )( segid "fSH2" and resid 55 and name hn ) 0.0 1.8 2.7 assign ( segid "fSH2" and resid 55 and name ha1 )( segid "fSH2" and resid 55 and name hn ) 0.0 1.8 2.7 Residue 198 (56) ; 460 1 463 18 rr_1aot 1 82 'Residue 199 (57)' 468 1 468 18 rr_1aot 1 83 'Residue 200 (58)' 476 1 476 18 rr_1aot 1 84 'Residue 201 (59)' 481 1 481 18 rr_1aot 1 85 'Residue 202 (60)' 484 1 484 18 rr_1aot 1 86 'Residue 203 (61)' 491 1 491 18 rr_1aot 1 87 'Residue 204 (62)' 496 1 496 18 rr_1aot 1 88 'Residue 205 (63)' 502 1 502 18 rr_1aot 1 89 'Residue 206 (64)' 512 1 512 18 rr_1aot 1 90 '2.7 m.c.' 513 105 513 114 rr_1aot 1 91 'Residue 207 (65)' 516 1 516 18 rr_1aot 1 92 'Residue 208 (66)' 521 1 521 18 rr_1aot 1 93 'Residue 209 (67)' 528 1 528 18 rr_1aot 1 94 'Residue 210 (68)' 533 1 533 18 rr_1aot 1 95 2.7 534 105 534 109 rr_1aot 1 96 'Residue 211 (69)' 537 1 537 18 rr_1aot 1 97 'Residue 212 (70)' 540 1 540 18 rr_1aot 1 98 'Residue 213 (71)' 543 1 543 18 rr_1aot 1 99 'Residue 214 (72)' 548 1 548 18 rr_1aot 1 100 'assign ( segid "fSH2" and resid 72 and name hb1 )( segid "fSH2" and resid 72 and name hn ) 0.0 1.8 5.0' 553 1 553 105 rr_1aot 1 101 'Residue 215 (73)' 557 1 557 18 rr_1aot 1 102 'Residue 216 (74)' 563 1 563 18 rr_1aot 1 103 'Residue 217 (75)' 568 1 568 18 rr_1aot 1 104 'Residue 218 (76)' 574 1 574 18 rr_1aot 1 105 'Residue 219 (77)' 578 1 578 18 rr_1aot 1 106 'Residue 220 (78)' 582 1 582 18 rr_1aot 1 107 ; assign ( segid "fSH2" and resid 78 and name hg1 )( segid "fSH2" and resid 78 and name hn ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 78 and name hg2 )( segid "fSH2" and resid 78 and name hn ) 0.0 1.8 5.0 ; 584 1 585 105 rr_1aot 1 108 ; assign ( segid "fSH2" and resid 78 and name hb1 )( segid "fSH2" and resid 78 and name hn ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 78 and name hb2 )( segid "fSH2" and resid 78 and name hn ) 0.0 1.8 3.5 ; 588 1 589 105 rr_1aot 1 109 'Residue 221 (79)' 593 1 593 18 rr_1aot 1 110 'Residue 222 (80)' 600 1 600 18 rr_1aot 1 111 '2.7 m.c.' 601 105 601 114 rr_1aot 1 112 'Residue 223 (81)' 606 1 606 18 rr_1aot 1 113 'Residue 224 (82)' 614 1 614 18 rr_1aot 1 114 ; assign ( segid "fSH2" and resid 82 and name hd2*)( segid "fSH2" and resid 82 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 82 and name hd1*)( segid "fSH2" and resid 82 and name hn ) 0.0 1.8 5.0 ; 618 1 619 105 rr_1aot 1 115 'Residue 225 (83)' 623 1 623 18 rr_1aot 1 116 'Residue 226 (84)' 628 1 628 18 rr_1aot 1 117 'Residue 227 (85)' 634 1 634 18 rr_1aot 1 118 ; assign ( segid "fSH2" and resid 85 and name hd1*)( segid "fSH2" and resid 85 and name hn ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 85 and name hd2*)( segid "fSH2" and resid 85 and name hn ) 0.0 1.8 3.5 ; 637 1 638 105 rr_1aot 1 119 ; 3.5 cannot be satisfied Residue 228 (86) Residue 229 (87) ; 640 105 645 18 rr_1aot 1 120 'Residue 230 (88)' 649 1 649 18 rr_1aot 1 121 'Residue 231 (89)' 654 1 654 18 rr_1aot 1 122 'Residue 232 (90)' 660 1 660 18 rr_1aot 1 123 'Residue 233 (91)' 665 1 665 18 rr_1aot 1 124 '2.7 m.c.' 666 105 666 114 rr_1aot 1 125 'Residue 234 (92)' 671 1 671 18 rr_1aot 1 126 '3.5 olp' 673 105 673 113 rr_1aot 1 127 ; 3.5 olp assign ( segid "fSH2" and resid 92 and name hg1 )( segid "fSH2" and resid 92 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 92 and name hg2 )( segid "fSH2" and resid 92 and name hn ) 0.0 1.8 5.0 ; 674 105 676 105 rr_1aot 1 128 'Residue 235 (93)' 682 1 682 18 rr_1aot 1 129 'Residue 236 (94)' 686 1 686 18 rr_1aot 1 130 'Residue 237 (95)' 689 1 689 18 rr_1aot 1 131 'Residue 238 (96)' 693 1 693 18 rr_1aot 1 132 ; assign ( segid "fSH2" and resid 96 and name ha )( segid "fSH2" and resid 96 and name hd1*) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 96 and name ha )( segid "fSH2" and resid 96 and name hd2*) 0.0 1.8 5.0 ; 695 1 696 105 rr_1aot 1 133 ; assign ( segid "fSH2" and resid 96 and name hd1*)( segid "fSH2" and resid 96 and name hn ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 96 and name hd2*)( segid "fSH2" and resid 96 and name hn ) 0.0 1.8 3.5 ; 702 1 703 105 rr_1aot 1 134 'Residue 239 (97)' 708 1 708 18 rr_1aot 1 135 'Residue 240 (98)' 712 1 712 18 rr_1aot 1 136 'Residue 241 (99)' 717 1 717 18 rr_1aot 1 137 'Residue 242 (100)' 721 1 721 19 rr_1aot 1 138 '3.5 olp' 722 107 722 115 rr_1aot 1 139 'Residue 243 (101)' 728 1 728 19 rr_1aot 1 140 'Residue 244 (102)' 734 1 734 19 rr_1aot 1 141 ; Residue 245 (103) Residue 246 (104) ; 738 1 740 19 rr_1aot 1 142 'Residue 247 (105)' 745 1 745 19 rr_1aot 1 143 'Residue 248 (106)' 748 1 748 19 rr_1aot 1 144 ; SEQUENTIAL NOES Residue 143 (1) Residue 144 (2) ; 753 1 757 17 rr_1aot 1 145 'Residue 145 (3)' 761 1 761 17 rr_1aot 1 146 'Residue 146 (4)' 768 1 768 17 rr_1aot 1 147 'Residue 147 (5)' 772 1 772 17 rr_1aot 1 148 'Residue 148 (6)' 778 1 778 17 rr_1aot 1 149 'Residue 149 (7)' 784 1 784 17 rr_1aot 1 150 'assign ( segid "fSH2" and resid 7 and name hb2 )( segid "fSH2" and resid 8 and name hn ) 0.0 1.8 5.0' 787 1 787 103 rr_1aot 1 151 'Residue 150 (8)' 793 1 793 17 rr_1aot 1 152 'Residue 151 (9)' 800 1 800 17 rr_1aot 1 153 'Residue 152 (10)' 804 1 804 18 rr_1aot 1 154 '3.5 m.c.' 805 105 805 114 rr_1aot 1 155 ; assign ( segid "fSH2" and resid 10 and name ha1* )( segid "fSH2" and resid 11 and name hn* ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 10 and name ha2* )( segid "fSH2" and resid 11 and name hn* ) 0.0 1.8 3.5 ; 807 1 808 106 rr_1aot 1 156 'Residue 153 (11)' 812 1 812 18 rr_1aot 1 157 'Residue 154 (12)' 819 1 819 18 rr_1aot 1 158 ; assign ( segid "fSH2" and resid 12 and name hn* )( segid "fSH2" and resid 13 and name ha2 ) 0.0 1.8 5.0 !v.w. assign ( segid "fSH2" and resid 12 and name hn* )( segid "fSH2" and resid 13 and name ha1 ) 0.0 1.8 5.0 !v.w. ; 821 1 822 111 rr_1aot 1 159 'Residue 155 (13)' 830 1 830 18 rr_1aot 1 160 ; assign ( segid "fSH2" and resid 13 and name ha2* )( segid "fSH2" and resid 14 and name hn* ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 13 and name ha1* )( segid "fSH2" and resid 14 and name hn* ) 0.0 1.8 3.5 Residue 156 (14) ; 834 1 838 18 rr_1aot 1 161 'Residue 157 (15)' 844 1 844 18 rr_1aot 1 162 ; assign ( segid "fSH2" and resid 15 and name hn* )( segid "fSH2" and resid 16 and name hb1 ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 15 and name hn* )( segid "fSH2" and resid 16 and name hb2 ) 0.0 1.8 5.0 ; 847 1 848 105 rr_1aot 1 163 'Residue 158 (16)' 854 1 854 18 rr_1aot 1 164 ; assign ( segid "fSH2" and resid 16 and name hb1* )( segid "fSH2" and resid 17 and name hn* ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 16 and name hb2* )( segid "fSH2" and resid 17 and name hn* ) 0.0 1.8 3.5 ; 859 1 860 106 rr_1aot 1 165 'Residue 159 (17)' 864 1 864 18 rr_1aot 1 166 'Residue 160 (18)' 871 1 871 18 rr_1aot 1 167 ; assign ( segid "fSH2" and resid 18 and name hg1* )( segid "fSH2" and resid 19 and name hn* ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 18 and name hg2* )( segid "fSH2" and resid 19 and name hn* ) 0.0 1.8 3.5 ; 873 1 874 106 rr_1aot 1 168 'Residue 161 (19)' 881 1 881 18 rr_1aot 1 169 'Residue 162 (20)' 888 1 888 18 rr_1aot 1 170 'Residue 163 (21)' 893 1 893 18 rr_1aot 1 171 'Residue 164 (22)' 896 1 896 18 rr_1aot 1 172 ; Residue 165 (23) Residue 166 (24) ; 902 1 904 18 rr_1aot 1 173 'Residue 167 (25)' 910 1 910 18 rr_1aot 1 174 ; Residue 168 (26) Residue 169 (27) ; 915 1 917 18 rr_1aot 1 175 'Residue 170 (28)' 921 1 921 18 rr_1aot 1 176 'Residue 171 (29)' 926 1 926 18 rr_1aot 1 177 'Residue 172 (30)' 932 1 932 18 rr_1aot 1 178 'Residue 173 (31)' 937 1 937 18 rr_1aot 1 179 'Residue 174 (32)' 944 1 944 18 rr_1aot 1 180 'Residue 175 (33)' 949 1 949 18 rr_1aot 1 181 'Residue 176 (34)' 957 1 957 18 rr_1aot 1 182 'Residue 177 (35)' 961 1 961 18 rr_1aot 1 183 'Residue 178 (36)' 968 1 968 18 rr_1aot 1 184 ; assign ( segid "fSH2" and resid 36 and name hb1* )( segid "fSH2" and resid 37 and name hn* ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 36 and name hb2* )( segid "fSH2" and resid 37 and name hn* ) 0.0 1.8 5.0 ; 970 1 971 106 rr_1aot 1 185 'Residue 179 (37)' 975 1 975 18 rr_1aot 1 186 'Residue 180 (38)' 981 1 981 18 rr_1aot 1 187 'Residue 181 (39)' 988 1 988 18 rr_1aot 1 188 'Residue 182 (40)' 994 1 994 18 rr_1aot 1 189 '2.7 m.c.' 998 105 998 114 rr_1aot 1 190 'Residue 183 (41)' 1001 1 1001 18 rr_1aot 1 191 'Residue 184 (42)' 1005 1 1005 18 rr_1aot 1 192 'Residue 185 (43)' 1011 1 1011 18 rr_1aot 1 193 'Residue 186 (44)' 1017 1 1017 18 rr_1aot 1 194 'Residue 187 (45)' 1022 1 1022 18 rr_1aot 1 195 ; 3.5 m.c. Residue 188 (46) ; 1027 105 1029 18 rr_1aot 1 196 'Residue 189 (47)' 1034 1 1034 18 rr_1aot 1 197 'Residue 190 (48)' 1039 1 1039 18 rr_1aot 1 198 'Residue 191 (49)' 1044 1 1044 18 rr_1aot 1 199 'Residue 192 (50)' 1047 1 1047 18 rr_1aot 1 200 ; 3.5 ~4 Residue 193 (51) ; 1053 105 1055 18 rr_1aot 1 201 'Residue 194 (52)' 1058 1 1058 18 rr_1aot 1 202 '2.7 m.c.' 1059 105 1059 114 rr_1aot 1 203 'Residue 195 (53)' 1062 1 1062 18 rr_1aot 1 204 'Residue 196 (54)' 1071 1 1071 18 rr_1aot 1 205 'assign ( segid "fSH2" and resid 54 and name hn )( segid "fSH2" and resid 55 and name ha1 ) 0.0 1.8 5.0 !3.5 m.c.' 1074 1 1074 115 rr_1aot 1 206 'Residue 197 (55)' 1079 1 1079 18 rr_1aot 1 207 'assign ( segid "fSH2" and resid 55 and name ha2 )( segid "fSH2" and resid 56 and name hn ) 0.0 1.8 2.7' 1083 1 1083 105 rr_1aot 1 208 'Residue 198 (56)' 1087 1 1087 18 rr_1aot 1 209 'Residue 199 (57)' 1093 1 1093 18 rr_1aot 1 210 'Residue 200 (58)' 1098 1 1098 18 rr_1aot 1 211 '2.7 m.c.' 1100 105 1100 114 rr_1aot 1 212 ; 2.7 m.c. Residue 201 (59) ; 1101 105 1103 18 rr_1aot 1 213 'Residue 202 (60)' 1106 1 1106 18 rr_1aot 1 214 'assign ( segid "fSH2" and resid 60 and name hn )( segid "fSH2" and resid 61 and name hb* ) 0.0 1.8 5.0 !v.w.' 1108 1 1108 111 rr_1aot 1 215 'Residue 203 (61)' 1113 1 1113 18 rr_1aot 1 216 '3.5 m.c.' 1114 105 1114 114 rr_1aot 1 217 'Residue 204 (62)' 1118 1 1118 18 rr_1aot 1 218 'Residue 205 (63)' 1122 1 1122 18 rr_1aot 1 219 'Residue 206 (64)' 1126 1 1126 18 rr_1aot 1 220 'Residue 207 (65)' 1131 1 1131 18 rr_1aot 1 221 '3.5 m.c.' 1132 105 1132 114 rr_1aot 1 222 'Residue 208 (66)' 1139 1 1139 18 rr_1aot 1 223 'Residue 209 (67)' 1147 1 1147 18 rr_1aot 1 224 'assign ( segid "fSH2" and resid 67 and name hn )( segid "fSH2" and resid 68 and name ha ) 0.0 1.8 5.0 !v.w.' 1150 1 1150 111 rr_1aot 1 225 'Residue 210 (68)' 1155 1 1155 18 rr_1aot 1 226 ; 2.7 m.c. Residue 211 (69) ; 1160 105 1162 18 rr_1aot 1 227 'Residue 212 (70)' 1166 1 1166 18 rr_1aot 1 228 'Residue 213 (71)' 1171 1 1171 18 rr_1aot 1 229 'Residue 214 (72)' 1180 1 1180 18 rr_1aot 1 230 ; assign ( segid "fSH2" and resid 72 and name hb1 )( segid "fSH2" and resid 73 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 72 and name hb2 )( segid "fSH2" and resid 73 and name hn ) 0.0 1.8 5.0 ; 1185 1 1186 105 rr_1aot 1 231 'Residue 215 (73)' 1191 1 1191 18 rr_1aot 1 232 'Residue 216 (74)' 1201 1 1201 18 rr_1aot 1 233 'Residue 217 (75)' 1206 1 1206 18 rr_1aot 1 234 'Residue 218 (76)' 1211 1 1211 18 rr_1aot 1 235 'Residue 219 (77)' 1216 1 1216 18 rr_1aot 1 236 'Residue 220 (78)' 1221 1 1221 18 rr_1aot 1 237 ; assign ( segid "fSH2" and resid 78 and name hg1 )( segid "fSH2" and resid 79 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 78 and name hg2 )( segid "fSH2" and resid 79 and name hn ) 0.0 1.8 5.0 ; 1225 1 1226 104 rr_1aot 1 238 ; assign ( segid "fSH2" and resid 78 and name hb1 )( segid "fSH2" and resid 79 and name hn ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 78 and name hb2 )( segid "fSH2" and resid 79 and name hn ) 0.0 1.8 3.5 ; 1229 1 1230 104 rr_1aot 1 239 'Residue 221 (79)' 1234 1 1234 18 rr_1aot 1 240 'Residue 222 (80)' 1240 1 1240 18 rr_1aot 1 241 'Residue 223 (81)' 1247 1 1247 18 rr_1aot 1 242 'Residue 224 (82)' 1253 1 1253 18 rr_1aot 1 243 ; assign ( segid "fSH2" and resid 82 and name hd1*)( segid "fSH2" and resid 83 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 82 and name hd2*)( segid "fSH2" and resid 83 and name hn ) 0.0 1.8 5.0 ; 1259 1 1260 105 rr_1aot 1 244 'Residue 225 (83)' 1264 1 1264 18 rr_1aot 1 245 'Residue 226 (84)' 1268 1 1268 18 rr_1aot 1 246 'Residue 227 (85)' 1274 1 1274 18 rr_1aot 1 247 ; assign ( segid "fSH2" and resid 85 and name hd1*)( segid "fSH2" and resid 86 and name hn ) 0.0 1.8 5.0 !3.5 m.c. assign ( segid "fSH2" and resid 85 and name hd2*)( segid "fSH2" and resid 86 and name hn ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 85 and name hd2*)( segid "fSH2" and resid 86 and name hb ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 85 and name hd2*)( segid "fSH2" and resid 86 and name hg2*) 0.0 1.8 5.0 ; 1279 1 1282 105 rr_1aot 1 248 '3.5 m.c.' 1283 105 1283 114 rr_1aot 1 249 ; Residue 228 (86) Residue 229 (87) ; 1289 1 1291 18 rr_1aot 1 250 'Residue 230 (88)' 1297 1 1297 18 rr_1aot 1 251 'Residue 231 (89)' 1305 1 1305 18 rr_1aot 1 252 'Residue 232 (90)' 1311 1 1311 18 rr_1aot 1 253 'Residue 233 (91)' 1319 1 1319 18 rr_1aot 1 254 ; assign ( segid "fSH2" and resid 91 and name hn )( segid "fSH2" and resid 92 and name hg1 ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 91 and name hn )( segid "fSH2" and resid 92 and name hg2 ) 0.0 1.8 5.0 ; 1321 1 1322 105 rr_1aot 1 255 'Residue 234 (92)' 1331 1 1331 18 rr_1aot 1 256 'assign ( segid "fSH2" and resid 92 and name hg1 )( segid "fSH2" and resid 93 and name hn ) 0.0 1.8 5.0' 1337 1 1337 105 rr_1aot 1 257 'Residue 235 (93)' 1341 1 1341 18 rr_1aot 1 258 'Residue 236 (94)' 1346 1 1346 18 rr_1aot 1 259 'Residue 237 (95)' 1351 1 1351 18 rr_1aot 1 260 'Residue 238 (96)' 1357 1 1357 18 rr_1aot 1 261 ; assign ( segid "fSH2" and resid 96 and name hd1*)( segid "fSH2" and resid 97 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 96 and name hd2*)( segid "fSH2" and resid 97 and name hn ) 0.0 1.8 5.0 ; 1361 1 1362 105 rr_1aot 1 262 'Residue 239 (97)' 1367 1 1367 18 rr_1aot 1 263 'Residue 240 (98)' 1372 1 1372 18 rr_1aot 1 264 ; Residue 241 (99) assign ( segid "fSH2" and resid 99 and name hn )( segid "fSH2" and resid 100 and name hg ) 0.0 1.8 5.0 !rm olp ; 1378 1 1379 114 rr_1aot 1 265 ; Residue 242 (100) Residue 243 (101) ; 1383 1 1385 19 rr_1aot 1 266 ; Residue 244 (102) Residue 245 (103) ; 1391 1 1393 19 rr_1aot 1 267 'Residue 246 (104)' 1396 1 1396 19 rr_1aot 1 268 'Residue 247 (105)' 1400 1 1400 19 rr_1aot 1 269 ; Residue 248 (106) MEDIUM RANGE NOES Residue 143 (1) Residue 144 (2) ; 1404 1 1410 17 rr_1aot 1 270 'Residue 145 (3)' 1414 1 1414 17 rr_1aot 1 271 'Residue 146 (4)' 1417 1 1417 17 rr_1aot 1 272 ; Residue 147 (5) assign ( segid "fSH2" and resid 5 and name hn )( segid "fSH2" and resid 8 and name hb2 ) 0.0 1.8 5.0 !v.w. Residue 148 (6) ; 1420 1 1423 17 rr_1aot 1 273 'Residue 149 (7)' 1426 1 1426 17 rr_1aot 1 274 'Residue 150 (8)' 1429 1 1429 17 rr_1aot 1 275 ; assign ( segid "fSH2" and resid 8 and name he* )( segid "fSH2" and resid 10 and name ha1 ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 8 and name he* )( segid "fSH2" and resid 10 and name ha2 ) 0.0 1.8 5.0 ; 1432 1 1433 104 rr_1aot 1 276 'Residue 151 (9)' 1439 1 1439 17 rr_1aot 1 277 ; Residue 152 (10) assign ( segid "fSH2" and resid 10 and name ha1* )( segid "fSH2" and resid 12 and name hn* ) 0.0 1.8 5.0 ; 1446 1 1447 106 rr_1aot 1 278 ; Residue 153 (11) Residue 154 (12) assign ( segid "fSH2" and resid 12 and name hg )( segid "fSH2" and resid 16 and name hb1 ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 12 and name hg )( segid "fSH2" and resid 16 and name hb2 ) 0.0 1.8 5.0 ; 1451 1 1455 106 rr_1aot 1 279 ; assign ( segid "fSH2" and resid 12 and name hd1* )( segid "fSH2" and resid 16 and name hb1 ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 12 and name hd1* )( segid "fSH2" and resid 16 and name hb2 ) 0.0 1.8 3.5 ; 1459 1 1460 106 rr_1aot 1 280 ; Residue 155 (13) assign ( segid "fSH2" and resid 13 and name hn* )( segid "fSH2" and resid 16 and name hb1* ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 13 and name hn* )( segid "fSH2" and resid 16 and name hb2* ) 0.0 1.8 3.5 ; 1465 1 1467 106 rr_1aot 1 281 'Residue 156 (14)' 1473 1 1473 18 rr_1aot 1 282 'Residue 157 (15)' 1481 1 1481 18 rr_1aot 1 283 'Residue 158 (16)' 1484 1 1484 18 rr_1aot 1 284 'Residue 159 (17)' 1492 1 1492 18 rr_1aot 1 285 'Residue 160 (18)' 1496 1 1496 18 rr_1aot 1 286 'Residue 161 (19)' 1499 1 1499 18 rr_1aot 1 287 'Residue 162 (20)' 1502 1 1502 18 rr_1aot 1 288 'Residue 163 (21)' 1505 1 1505 18 rr_1aot 1 289 ; Residue 164 (22) Residue 165 (23) Residue 166 (24) ; 1508 1 1512 18 rr_1aot 1 290 ; Residue 167 (25) Residue 168 (26) ; 1515 1 1517 18 rr_1aot 1 291 ; Residue 169 (27) Residue 170 (28) Residue 171 (29) Residue 172 (30) Residue 173 (31) Residue 174 (32) Residue 175 (33) Residue 176 (34) Residue 177 (35) Residue 178 (36) assign ( segid "fSH2" and resid 36 and name hb1* )( segid "fSH2" and resid 38 and name hn* ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 36 and name hb1* )( segid "fSH2" and resid 39 and name hn* ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 36 and name hb2* )( segid "fSH2" and resid 39 and name hn* ) 0.0 1.8 3.5 ; 1521 1 1542 106 rr_1aot 1 292 'Residue 179 (37)' 1549 1 1549 18 rr_1aot 1 293 'Residue 180 (38)' 1553 1 1553 18 rr_1aot 1 294 'Residue 181 (39)' 1558 1 1558 18 rr_1aot 1 295 'Residue 182 (40)' 1563 1 1563 18 rr_1aot 1 296 ; Residue 183 (41) Residue 184 (42) Residue 185 (43) Residue 186 (44) Residue 187 (45) Residue 188 (46) Residue 189 (47) Residue 190 (48) Residue 191 (49) Residue 192 (50) ; 1567 1 1585 18 rr_1aot 1 297 'Residue 193 (51)' 1599 1 1599 18 rr_1aot 1 298 'Residue 194 (52)' 1605 1 1605 18 rr_1aot 1 299 ; assign ( segid "fSH2" and resid 52 and name ha )( segid "fSH2" and resid 54 and name hn ) 0.0 1.8 3.5 !olp assign ( segid "fSH2" and resid 52 and name ha )( segid "fSH2" and resid 55 and name hn ) 0.0 1.8 3.5 !olp Residue 195 (53) ; 1607 1 1610 18 rr_1aot 1 300 ; assign ( segid "fSH2" and resid 53 and name hn )( segid "fSH2" and resid 55 and name ha2 ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 53 and name hn )( segid "fSH2" and resid 55 and name ha1 ) 0.0 1.8 5.0 !v.w. ; 1612 1 1613 111 rr_1aot 1 301 ; Residue 196 (54) Residue 197 (55) Residue 198 (56) Residue 199 (57) Residue 200 (58) ; 1617 1 1625 18 rr_1aot 1 302 ; Residue 201 (59) Residue 202 (60) Residue 203 (61) Residue 204 (62) Residue 205 (63) Residue 206 (64) Residue 207 (65) ; 1629 1 1641 18 rr_1aot 1 303 'Residue 208 (66)' 1645 1 1645 18 rr_1aot 1 304 'Residue 209 (67)' 1663 1 1663 18 rr_1aot 1 305 'Residue 210 (68)' 1669 1 1669 18 rr_1aot 1 306 ; Residue 211 (69) Residue 212 (70) Residue 213 (71) Residue 214 (72) ; 1674 1 1680 18 rr_1aot 1 307 'assign ( segid "fSH2" and resid 72 and name hb1 )( segid "fSH2" and resid 74 and name hn ) 0.0 1.8 5.0' 1683 1 1683 105 rr_1aot 1 308 ; Residue 215 (73) Residue 216 (74) ; 1692 1 1694 18 rr_1aot 1 309 'Residue 217 (75)' 1700 1 1700 18 rr_1aot 1 310 ; Residue 218 (76) Residue 219 (77) ; 1711 1 1713 18 rr_1aot 1 311 ; Residue 220 (78) Residue 221 (79) ; 1716 1 1718 18 rr_1aot 1 312 ; Residue 222 (80) Residue 223 (81) ; 1722 1 1724 18 rr_1aot 1 313 'Residue 224 (82)' 1750 1 1750 18 rr_1aot 1 314 'assign ( segid "fSH2" and resid 82 and name hd1*)( segid "fSH2" and resid 85 and name hd2*) 0.0 1.8 5.0' 1753 1 1753 105 rr_1aot 1 315 'Residue 225 (83)' 1756 1 1756 18 rr_1aot 1 316 'Residue 226 (84)' 1761 1 1761 18 rr_1aot 1 317 'Residue 227 (85)' 1767 1 1767 18 rr_1aot 1 318 ; assign ( segid "fSH2" and resid 85 and name hd1*)( segid "fSH2" and resid 89 and name hd* ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 85 and name hd1*)( segid "fSH2" and resid 89 and name he* ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 85 and name hd2*)( segid "fSH2" and resid 88 and name hn ) 0.0 1.8 5.0 !v.w. assign ( segid "fSH2" and resid 85 and name hd2*)( segid "fSH2" and resid 89 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 85 and name hd2*)( segid "fSH2" and resid 89 and name he* ) 0.0 1.8 3.5 !2.7 m.c. assign ( segid "fSH2" and resid 85 and name hd2*)( segid "fSH2" and resid 89 and name hd* ) 0.0 1.8 3.5 !2.7 m.c. assign ( segid "fSH2" and resid 85 and name hd1*)( segid "fSH2" and resid 87 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 85 and name hd2*)( segid "fSH2" and resid 87 and name hn ) 0.0 1.8 3.5 ; 1774 1 1781 105 rr_1aot 1 319 ; assign ( segid "fSH2" and resid 85 and name hd1*)( segid "fSH2" and resid 88 and name hn ) 0.0 1.8 5.0 !v.w. assign ( segid "fSH2" and resid 85 and name hd1*)( segid "fSH2" and resid 89 and name hn ) 0.0 1.8 5.0 !v.w. ; 1784 1 1785 111 rr_1aot 1 320 'Residue 228 (86)' 1794 1 1794 18 rr_1aot 1 321 'Residue 229 (87)' 1801 1 1801 18 rr_1aot 1 322 ; Residue 230 (88) Residue 231 (89) ; 1804 1 1806 18 rr_1aot 1 323 'Residue 232 (90)' 1809 1 1809 18 rr_1aot 1 324 '3.5 olp' 1811 105 1811 113 rr_1aot 1 325 ; Residue 233 (91) Residue 234 (92) ; 1815 1 1817 18 rr_1aot 1 326 ; Residue 235 (93) assign ( segid "fSH2" and resid 93 and name ha )( segid "fSH2" and resid 96 and name hd1*) 0.0 1.8 5.0 ; 1823 1 1824 105 rr_1aot 1 327 'assign ( segid "fSH2" and resid 93 and name hb* )( segid "fSH2" and resid 96 and name hd2*) 0.0 1.8 5.0' 1828 1 1828 105 rr_1aot 1 328 'Residue 236 (94)' 1833 1 1833 18 rr_1aot 1 329 ; Residue 237 (95) Residue 238 (96) ; 1836 1 1838 18 rr_1aot 1 330 ; assign ( segid "fSH2" and resid 96 and name hd1*)( segid "fSH2" and resid 98 and name hn ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 96 and name hd2*)( segid "fSH2" and resid 98 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 96 and name hd2*)( segid "fSH2" and resid 100 and name hn ) 0.0 1.8 5.0 ; 1843 1 1845 106 rr_1aot 1 331 ; Residue 239 (97) Residue 240 (98) Residue 241 (99) Residue 242 (100) Residue 243 (101) Residue 244 (102) Residue 245 (103) Residue 246 (104) Residue 247 (105) Residue 248 (106) LONG RANGE NOES Residue 143 (1) Residue 144 (2) ; 1851 1 1875 17 rr_1aot 1 332 'assign ( segid "fSH2" and resid 2 and name hg2*)( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 3.5' 1877 1 1877 104 rr_1aot 1 333 ; assign ( segid "fSH2" and resid 2 and name hg2*)( segid "fSH2" and resid 105 and name hn ) 0.0 1.8 5.0 !unsure assign ( segid "fSH2" and resid 2 and name hg2*)( segid "fSH2" and resid 105 and name hd2) 0.0 1.8 5.0 !unsure ; 1879 1 1880 112 rr_1aot 1 334 'assign ( segid "fSH2" and resid 2 and name hd1*)( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 3.5' 1885 1 1885 104 rr_1aot 1 335 'Residue 145 (3)' 1888 1 1888 17 rr_1aot 1 336 ; Residue 146 (4) Residue 147 (5) Residue 148 (6) assign ( segid "fSH2" and resid 6 and name hn )( segid "fSH2" and resid 101 and name hg1*) 0.0 1.8 5.0 !unsure assign ( segid "fSH2" and resid 6 and name hb1 )( segid "fSH2" and resid 101 and name ha ) 0.0 1.8 5.0 !unsure Residue 149 (7) ; 1891 1 1899 17 rr_1aot 1 337 ; assign ( segid "fSH2" and resid 7 and name ha )( segid "fSH2" and resid 102 and name hn ) 0.0 1.8 5.0 !v.w. assign ( segid "fSH2" and resid 7 and name ha )( segid "fSH2" and resid 103 and name hg2 ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 7 and name ha )( segid "fSH2" and resid 103 and name hg1 ) 0.0 1.8 5.0 !unsure assign ( segid "fSH2" and resid 7 and name hb1 )( segid "fSH2" and resid 33 and name hn* ) 0.0 1.8 5.0 ; 1904 1 1907 105 rr_1aot 1 338 ; assign ( segid "fSH2" and resid 7 and name hh2 )( segid "fSH2" and resid 82 and name hd1* ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 7 and name hh2 )( segid "fSH2" and resid 82 and name hd2* ) 0.0 1.8 5.0 ; 1918 1 1919 105 rr_1aot 1 339 ; assign ( segid "fSH2" and resid 7 and name hz3 )( segid "fSH2" and resid 82 and name hd1* ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 7 and name hz3 )( segid "fSH2" and resid 82 and name hd2* ) 0.0 1.8 5.0 ; 1927 1 1928 105 rr_1aot 1 340 'Residue 150 (8)' 1933 1 1933 17 rr_1aot 1 341 'assign ( segid "fSH2" and resid 8 and name hd* )( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 3.5' 1942 1 1942 104 rr_1aot 1 342 'Residue 151 (9)' 1947 1 1947 17 rr_1aot 1 343 'Residue 152 (10)' 1957 1 1957 18 rr_1aot 1 344 'assign ( segid "fSH2" and resid 10 and name ha2 )( segid "fSH2" and resid 35 and name hn* ) 0.0 1.8 5.0' 1959 1 1959 105 rr_1aot 1 345 'Residue 153 (11)' 1962 1 1962 18 rr_1aot 1 346 'Residue 154 (12)' 1969 1 1969 18 rr_1aot 1 347 ; Residue 155 (13) Residue 156 (14) ; 1979 1 1981 18 rr_1aot 1 348 ; Residue 157 (15) Residue 158 (16) Residue 159 (17) ; 1987 1 1991 18 rr_1aot 1 349 '3.5 olp' 1993 106 1993 114 rr_1aot 1 350 '3.5 olp' 1994 106 1994 114 rr_1aot 1 351 'Residue 160 (18)' 2002 1 2002 18 rr_1aot 1 352 'Residue 161 (19)' 2010 1 2010 18 rr_1aot 1 353 'Residue 162 (20)' 2014 1 2014 18 rr_1aot 1 354 'Residue 163 (21)' 2017 1 2017 18 rr_1aot 1 355 'Residue 164 (22)' 2028 1 2028 18 rr_1aot 1 356 ; Residue 165 (23) Residue 166 (24) Residue 167 (25) Residue 168 (26) Residue 169 (27) ; 2038 1 2046 18 rr_1aot 1 357 'Residue 170 (28)' 2049 1 2049 18 rr_1aot 1 358 ; assign ( segid "fSH2" and resid 28 and name hb* )( segid "fSH2" and resid 48 and name hn ) 0.0 1.8 5.0 olp Residue 171 (29) ; 2054 1 2056 18 rr_1aot 1 359 'Residue 172 (30)' 2061 1 2061 18 rr_1aot 1 360 'Residue 173 (31)' 2074 1 2074 18 rr_1aot 1 361 'Residue 174 (32)' 2080 1 2080 18 rr_1aot 1 362 'Residue 175 (33)' 2088 1 2088 18 rr_1aot 1 363 ; assign ( segid "fSH2" and resid 33 and name hg2* )( segid "fSH2" and resid 82 and name hd1*) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 33 and name hg2* )( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 3.5 ; 2091 1 2092 106 rr_1aot 1 364 ; Residue 176 (34) assign ( segid "fSH2" and resid 34 and name hn )( segid "fSH2" and resid 43 and name hb2 ) 0.0 1.8 5.0 ; 2096 1 2097 105 rr_1aot 1 365 'Residue 177 (35)' 2106 1 2106 18 rr_1aot 1 366 'Residue 178 (36)' 2113 1 2113 18 rr_1aot 1 367 ; assign ( segid "fSH2" and resid 36 and name hn )( segid "fSH2" and resid 43 and name hb1 ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 36 and name hn )( segid "fSH2" and resid 43 and name hb2 ) 0.0 1.8 5.0 ; 2118 1 2119 105 rr_1aot 1 368 ; assign ( segid "fSH2" and resid 36 and name hb1 )( segid "fSH2" and resid 42 and name hn ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 36 and name hb1 )( segid "fSH2" and resid 43 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 36 and name hb2 )( segid "fSH2" and resid 42 and name hn ) 0.0 1.8 5.0 ; 2124 1 2126 105 rr_1aot 1 369 ; Residue 179 (37) Residue 180 (38) ; 2133 1 2135 18 rr_1aot 1 370 ; Residue 181 (39) Residue 182 (40) Residue 183 (41) Residue 184 (42) Residue 185 (43) ; 2138 1 2146 18 rr_1aot 1 371 ; assign ( segid "fSH2" and resid 43 and name hd* )( segid "fSH2" and resid 82 and name hd1*) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 43 and name hd* )( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 3.5 ; 2155 1 2156 105 rr_1aot 1 372 'Residue 186 (44)' 2160 1 2160 18 rr_1aot 1 373 'Residue 187 (45)' 2169 1 2169 18 rr_1aot 1 374 'assign ( segid "fSH2" and resid 45 and name hd1*)( segid "fSH2" and resid 100 and name hn* ) 0.0 1.8 5.0 !rm v.w.' 2179 1 2179 115 rr_1aot 1 375 'Residue 188 (46)' 2190 1 2190 18 rr_1aot 1 376 'Residue 189 (47)' 2199 1 2199 18 rr_1aot 1 377 'Residue 190 (48)' 2215 1 2215 18 rr_1aot 1 378 'Residue 191 (49)' 2221 1 2221 18 rr_1aot 1 379 '3.5 m.c.' 2222 105 2222 114 rr_1aot 1 380 '3.5 m.c.' 2224 105 2224 114 rr_1aot 1 381 ; 3.5 m.c. Residue 192 (50) ; 2227 105 2229 18 rr_1aot 1 382 'assign ( segid "fSH2" and resid 50 and name hd1 )( segid "fSH2" and resid 55 and name ha2 ) 0.0 1.8 3.5' 2234 1 2234 105 rr_1aot 1 383 'assign ( segid "fSH2" and resid 50 and name he1 )( segid "fSH2" and resid 55 and name ha2 ) 0.0 1.8 5.0' 2240 1 2240 105 rr_1aot 1 384 'Residue 193 (51)' 2245 1 2245 18 rr_1aot 1 385 ; Residue 194 (52) Residue 195 (53) Residue 196 (54) Residue 197 (55) Residue 198 (56) Residue 199 (57) Residue 200 (58) Residue 201 (59) Residue 202 (60) Residue 203 (61) ; 2250 1 2268 18 rr_1aot 1 386 ; assign ( segid "fSH2" and resid 61 and name hd* )( segid "fSH2" and resid 96 and name hd2*) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 61 and name he* )( segid "fSH2" and resid 96 and name hd2*) 0.0 1.8 3.5 ; 2276 1 2277 105 rr_1aot 1 387 'Residue 204 (62)' 2284 1 2284 18 rr_1aot 1 388 'Residue 205 (63)' 2287 1 2287 18 rr_1aot 1 389 'Residue 206 (64)' 2295 1 2295 18 rr_1aot 1 390 'Residue 207 (65)' 2302 1 2302 18 rr_1aot 1 391 'Residue 208 (66)' 2313 1 2313 18 rr_1aot 1 392 '3.5 m.c.' 2315 105 2315 114 rr_1aot 1 393 ; Residue 209 (67) Residue 210 (68) Residue 211 (69) Residue 212 (70) ; 2332 1 2338 18 rr_1aot 1 394 'Residue 213 (71)' 2344 1 2344 18 rr_1aot 1 395 'assign ( segid "fSH2" and resid 71 and name hn )( segid "fSH2" and resid 78 and name hb1 ) 0.0 1.8 3.5' 2348 1 2348 105 rr_1aot 1 396 '2.7 m.c.' 2353 105 2353 114 rr_1aot 1 397 ; assign ( segid "fSH2" and resid 71 and name hd* )( segid "fSH2" and resid 82 and name hd1*) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 71 and name hd* )( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 3.5 ; 2358 1 2359 105 rr_1aot 1 398 ; assign ( segid "fSH2" and resid 71 and name he* )( segid "fSH2" and resid 82 and name hd1*) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 71 and name he* )( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 3.5 ; 2366 1 2367 105 rr_1aot 1 399 'Residue 214 (72)' 2371 1 2371 18 rr_1aot 1 400 ; assign ( segid "fSH2" and resid 72 and name hb1 )(segid "fSH2" and resid 77 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 72 and name hb2 )(segid "fSH2" and resid 77 and name hn ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 72 and name hb2 )(segid "fSH2" and resid 78 and name hn ) 0.0 1.8 5.0 ; 2375 1 2377 104 rr_1aot 1 401 ; assign ( segid "fSH2" and resid 72 and name hd* )(segid "fSH2" and resid 78 and name hg1 ) 0.0 1.8 5.0 assign ( segid "fSH2" and resid 72 and name hd* )(segid "fSH2" and resid 78 and name hg2 ) 0.0 1.8 5.0 ; 2386 1 2387 104 rr_1aot 1 402 ; Residue 215 (73) assign ( segid "fSH2" and resid 73 and name hd1*)( segid "fSH2" and resid 85 and name hd2* ) 0.0 1.8 3.5 ; 2395 1 2396 106 rr_1aot 1 403 'assign ( segid "fSH2" and resid 73 and name hd1*)( segid "fSH2" and resid 96 and name hd2* ) 0.0 1.8 3.5' 2399 1 2399 106 rr_1aot 1 404 'assign ( segid "fSH2" and resid 73 and name hg2*)( segid "fSH2" and resid 96 and name hd2* ) 0.0 1.8 3.5' 2404 1 2404 106 rr_1aot 1 405 ; Residue 216 (74) Residue 217 (75) Residue 218 (76) Residue 219 (77) Residue 220 (78) Residue 221 (79) assign ( segid "fSH2" and resid 79 and name hn )( segid "fSH2" and resid 85 and name hd1*) 0.0 1.8 5.0 ; 2408 1 2419 105 rr_1aot 1 406 ; Residue 222 (80) Residue 223 (81) Residue 224 (82) Residue 225 (83) Residue 226 (84) Residue 227 (85) assign ( segid "fSH2" and resid 85 and name hd2*)( segid "fSH2" and resid 100 and name hd2* ) 0.0 1.8 3.5 ; 2430 1 2441 107 rr_1aot 1 407 'Residue 228 (86)' 2446 1 2446 18 rr_1aot 1 408 ; Residue 229 (87) Residue 230 (88) assign ( segid "fSH2" and resid 88 and name hn )( segid "fSH2" and resid 100 and name hd2* ) 0.0 1.8 5.0 !rm v.w. Residue 231 (89) ; 2450 1 2455 18 rr_1aot 1 409 'assign ( segid "fSH2" and resid 89 and name hb1 )( segid "fSH2" and resid 99 and name hn ) 0.0 1.8 5.0 !unsure' 2462 1 2462 115 rr_1aot 1 410 ; assign ( segid "fSH2" and resid 89 and name hd* )( segid "fSH2" and resid 96 and name hd1* ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 89 and name hd* )( segid "fSH2" and resid 96 and name hd2* ) 0.0 1.8 5.0 ; 2466 1 2467 107 rr_1aot 1 411 ; assign ( segid "fSH2" and resid 89 and name he* )( segid "fSH2" and resid 96 and name hd1* ) 0.0 1.8 3.5 assign ( segid "fSH2" and resid 89 and name he* )( segid "fSH2" and resid 96 and name hd2* ) 0.0 1.8 5.0 ; 2474 1 2475 107 rr_1aot 1 412 ; Residue 232 (90) assign ( segid "fSH2" and resid 90 and name hn )( segid "fSH2" and resid 100 and name hn ) 0.0 1.8 5.0 !v.w. ; 2480 1 2481 113 rr_1aot 1 413 'Residue 233 (91)' 2489 1 2489 18 rr_1aot 1 414 'Residue 234 (92)' 2494 1 2494 18 rr_1aot 1 415 'Residue 235 (93)' 2499 1 2499 18 rr_1aot 1 416 ; Residue 236 (94) Residue 237 (95) Residue 238 (96) Residue 239 (97) Residue 240 (98) Residue 241 (99) Residue 242 (100) Residue 243 (101) Residue 244 (102) Residue 245 (103) Residue 246 (104) Residue 247 (105) Residue 248 (106) ; 2506 1 2530 19 rr_1aot 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'fSH2.204.HN' (nmrStar names) not linked" rr_1aot 1 2 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'fSH2.204.HN' (nmrStar names) not linked" rr_1aot 1 3 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'fSH2.204.HN' (nmrStar names) not linked" rr_1aot 1 4 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'fSH2.204.HN' (nmrStar names) not linked" rr_1aot 1 5 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'fSH2.204.HN' (nmrStar names) not linked" rr_1aot 1 6 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'fSH2.204.HD*' (nmrStar names) not linked" rr_1aot 1 7 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'fSH2.204.HD*' (nmrStar names),'fSH2.204.HB1' (nmrStar names) not linked" rr_1aot 1 8 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'fSH2.204.HE*' (nmrStar names) not linked" rr_1aot 1 9 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'fSH2.204.HB1' (nmrStar names) not linked" rr_1aot 1 10 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'fSH2.204.HB1' (nmrStar names) not linked" rr_1aot 1 11 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'fSH2.204.HB1' (nmrStar names) not linked" rr_1aot 1 12 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'fSH2.204.HD*' (nmrStar names) not linked" rr_1aot 1 13 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'fSH2.204.HD*' (nmrStar names) not linked" rr_1aot 1 14 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'fSH2.204.HD*' (nmrStar names) not linked" rr_1aot 1 15 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'fSH2.204.HD*' (nmrStar names) not linked" rr_1aot 1 16 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'fSH2.204.HD*' (nmrStar names) not linked" rr_1aot 1 17 2 21 1 "Not handling restraint 21, item 1, resonance(s) 'fSH2.204.HD*' (nmrStar names) not linked" rr_1aot 1 18 2 22 1 "Not handling restraint 22, item 1, resonance(s) 'fSH2.204.HD*' (nmrStar names) not linked" rr_1aot 1 19 2 23 1 "Not handling restraint 23, item 1, resonance(s) 'fSH2.204.HD*' (nmrStar names) not linked" rr_1aot 1 20 2 24 1 "Not handling restraint 24, item 1, resonance(s) 'fSH2.204.HD*' (nmrStar names) not linked" rr_1aot 1 21 2 24 1 "Not handling restraint 24, item 1, resonance(s) 'fSH2.204.HD*' (nmrStar names) not linked" rr_1aot 1 22 2 25 1 "Not handling restraint 25, item 1, resonance(s) 'fSH2.204.HE*' (nmrStar names) not linked" rr_1aot 1 23 2 26 1 "Not handling restraint 26, item 1, resonance(s) 'fSH2.204.HE*' (nmrStar names) not linked" rr_1aot 1 24 2 27 1 "Not handling restraint 27, item 1, resonance(s) 'fSH2.204.HE*' (nmrStar names) not linked" rr_1aot 1 25 2 28 1 "Not handling restraint 28, item 1, resonance(s) 'fSH2.204.HE*' (nmrStar names) not linked" rr_1aot 1 26 2 29 1 "Not handling restraint 29, item 1, resonance(s) 'fSH2.204.HE*' (nmrStar names) not linked" rr_1aot 1 27 2 30 1 "Not handling restraint 30, item 1, resonance(s) 'fSH2.204.HE*' (nmrStar names) not linked" rr_1aot 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID rr_1aot _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1aot 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 OR . 2 2 7 7 ILE H H . . . 2 2 7 7 ILE MG H . . . . . 0.0 -1.8 5.0 . . . . . P . 207 ILE H . . P . 207 ILE MG . fSH2 . 207 . HN . . . fSH2 . 207 . HG2* . . rr_1aot 2 1 2 OR . 2 2 7 7 ILE H H . . . 2 2 7 7 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . P . 207 ILE H . . P . 207 ILE MD . fSH2 . 207 . HN . . . fSH2 . 207 . HD1* . . rr_1aot 2 2 1 OR . 2 2 7 7 ILE MG H . . . 1 1 74 74 THR HB H . . . . . 0.0 -1.8 3.5 . . . . . P . 207 ILE MG . . F . 74 THR HB . fSH2 . 207 . HG2* . . . fSH2 . 74 . HB . . rr_1aot 2 2 2 OR . 2 2 7 7 ILE MD H . . . 1 1 74 74 THR HB H . . . . . 0.0 -1.8 3.5 . . . . . P . 207 ILE MD . . F . 74 THR HB . fSH2 . 207 . HD1* . . . fSH2 . 74 . HB . . rr_1aot 2 3 1 OR . 1 1 75 75 THR H H . . . 2 2 7 7 ILE MG H . . . . . 0.0 -1.8 3.5 . . . . . F . 75 THR H . . P . 207 ILE MG . fSH2 . 75 . HN . . . fSH2 . 207 . HG2* . . rr_1aot 2 3 2 OR . 2 2 7 7 ILE MD H . . . 1 1 75 75 THR H H . . . . . 0.0 -1.8 3.5 . . . . . P . 207 ILE MD . . F . 75 THR H . fSH2 . 207 . HD1* . . . fSH2 . 75 . HN . . rr_1aot 2 3 3 OR . 1 1 75 75 THR H H . . . 1 1 75 75 THR MG H . . . . . 0.0 -1.8 3.5 . . . . . F . 75 THR H . . F . 75 THR MG . fSH2 . 75 . HN . . . fSH2 . 75 . HG2* . . rr_1aot 2 4 1 OR . 1 1 75 75 THR H H . . . 2 2 7 7 ILE MG H . . . . . 0.0 -1.8 5.0 . . . . . F . 75 THR H . . P . 207 ILE MG . fSH2 . 75 . HN . . . fSH2 . 207 . HG2* . . rr_1aot 2 4 2 OR . 2 2 7 7 ILE MD H . . . 1 1 75 75 THR H H . . . . . 0.0 -1.8 5.0 . . . . . P . 207 ILE MD . . F . 75 THR H . fSH2 . 207 . HD1* . . . fSH2 . 75 . HN . . rr_1aot 2 5 1 OR . 2 2 9 9 ILE H H . . . 2 2 9 9 ILE MG H . . . . . 0.0 -1.8 3.5 . . . . . P . 209 ILE H . . P . 209 ILE MG . fSH2 . 209 . HN . . . fSH2 . 209 . HG2* . . rr_1aot 2 5 2 OR . 2 2 9 9 ILE H H . . . 2 2 9 9 ILE MD H . . . . . 0.0 -1.8 3.5 . . . . . P . 209 ILE H . . P . 209 ILE MD . fSH2 . 209 . HN . . . fSH2 . 209 . HD1* . . rr_1aot 2 6 1 OR . 2 2 10 10 TYR H H . . . 2 2 9 9 ILE MG H . . . . . 0.0 -1.8 5.0 . . . . . P . 210 TYR H . . P . 209 ILE MG . fSH2 . 210 . HN . . . fSH2 . 209 . HG2* . . rr_1aot 2 6 2 OR . 2 2 10 10 TYR H H . . . 2 2 9 9 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . P . 210 TYR H . . P . 209 ILE MD . fSH2 . 210 . HN . . . fSH2 . 209 . HD1* . . rr_1aot 2 7 1 OR . 2 2 11 11 LEU H H . . . 2 2 11 11 LEU HB2 H . . . . . 0.0 -1.8 2.7 . . . . . P . 211 LEU H . . P . 211 LEU HB2 . fSH2 . 211 . HN . . . fSH2 . 211 . HB* . . rr_1aot 2 7 2 OR . 2 2 11 11 LEU H H . . . 2 2 11 11 LEU HG H . . . . . 0.0 -1.8 2.7 . . . . . P . 211 LEU H . . P . 211 LEU HG . fSH2 . 211 . HN . . . fSH2 . 211 . HG* . . rr_1aot 2 7 3 OR . 2 2 11 11 LEU H H . . . 2 2 11 11 LEU HB3 H . . . . . 0.0 -1.8 2.7 . . . . . P . 211 LEU H . . P . 211 LEU HB3 . fSH2 . 211 . HN . . . fSH2 . 211 . HB* . . rr_1aot 2 8 1 OR . 1 1 5 5 GLU H H . . . 1 1 101 101 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 5 GLU H . . F . 101 VAL MG1 . fSH2 . 5 . HN . . . fSH2 . 101 . HG1* . . rr_1aot 2 8 2 OR . 1 1 5 5 GLU H H . . . 1 1 33 33 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 5 GLU H . . F . 33 ILE MD . fSH2 . 5 . HN . . . fSH2 . 33 . HD1* . . rr_1aot 2 8 3 OR . 1 1 5 5 GLU H H . . . 1 1 2 2 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 5 GLU H . . F . 2 ILE MD . fSH2 . 5 . HN . . . fSH2 . 2 . HD1* . . rr_1aot 2 9 1 OR . 1 1 8 8 TYR HB2 H . . . 1 1 7 7 TRP HZ2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 8 TYR HB2 . . F . 7 TRP HZ2 . fSH2 . 8 . HB2* . . . fSH2 . 7 . HZ2 . . rr_1aot 2 9 2 OR . 1 1 83 83 GLN HB3 H . . . 1 1 7 7 TRP HZ2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 83 GLN HB3 . . F . 7 TRP HZ2 . fSH2 . 83 . HB* . . . fSH2 . 7 . HZ2 . . rr_1aot 2 9 3 OR . 1 1 7 7 TRP HZ2 H . . . 1 1 83 83 GLN HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 7 TRP HZ2 . . F . 83 GLN HB2 . fSH2 . 7 . HZ2 . . . fSH2 . 83 . HB* . . rr_1aot 2 10 1 OR . 1 1 33 33 ILE MD H . . . 1 1 7 7 TRP HH2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 33 ILE MD . . F . 7 TRP HH2 . fSH2 . 33 . HD1* . . . fSH2 . 7 . HH2 . . rr_1aot 2 10 2 OR . 1 1 7 7 TRP HH2 H . . . 1 1 2 2 ILE MD H . . . . . 0.0 -1.8 2.7 . . . . . F . 7 TRP HH2 . . F . 2 ILE MD . fSH2 . 7 . HH2 . . . fSH2 . 2 . HD1* . . rr_1aot 2 11 1 OR . 1 1 9 9 PHE H H . . . 1 1 32 32 LEU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE H . . F . 32 LEU HB2 . fSH2 . 9 . HN . . . fSH2 . 32 . HB* . . rr_1aot 2 11 2 OR . 1 1 9 9 PHE H H . . . 1 1 32 32 LEU HG H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE H . . F . 32 LEU HG . fSH2 . 9 . HN . . . fSH2 . 32 . HG* . . rr_1aot 2 11 3 OR . 1 1 9 9 PHE H H . . . 1 1 32 32 LEU HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 9 PHE H . . F . 32 LEU HB3 . fSH2 . 9 . HN . . . fSH2 . 32 . HB* . . rr_1aot 2 12 1 OR . 1 1 44 44 SER HB2 H . . . 1 1 12 12 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER HB2 . . F . 12 LEU H . fSH2 . 44 . HB2 . . . fSH2 . 12 . HN . . rr_1aot 2 12 2 OR . 1 1 10 10 GLY HA3 H . . . 1 1 12 12 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 10 GLY HA3 . . F . 12 LEU H . fSH2 . 10 . HA1 . . . fSH2 . 12 . HN . . rr_1aot 2 13 1 OR . 1 1 19 19 ARG H H . . . 1 1 22 22 LEU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG H . . F . 22 LEU HB2 . fSH2 . 19 . HN . . . fSH2 . 22 . HB* . . rr_1aot 2 13 2 OR . 1 1 19 19 ARG H H . . . 1 1 21 21 LEU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG H . . F . 21 LEU HB2 . fSH2 . 19 . HN . . . fSH2 . 21 . HB* . . rr_1aot 2 13 3 OR . 1 1 19 19 ARG H H . . . 1 1 22 22 LEU HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG H . . F . 22 LEU HB3 . fSH2 . 19 . HN . . . fSH2 . 22 . HB* . . rr_1aot 2 13 4 OR . 1 1 19 19 ARG H H . . . 1 1 21 21 LEU HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 19 ARG H . . F . 21 LEU HB3 . fSH2 . 19 . HN . . . fSH2 . 21 . HB* . . rr_1aot 2 14 1 OR . 1 1 21 21 LEU H H . . . 1 1 21 21 LEU HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 21 LEU H . . F . 21 LEU HB2 . fSH2 . 21 . HN . . . fSH2 . 21 . HB* . . rr_1aot 2 14 2 OR . 1 1 21 21 LEU H H . . . 1 1 22 22 LEU HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 21 LEU H . . F . 22 LEU HB2 . fSH2 . 21 . HN . . . fSH2 . 22 . HB* . . rr_1aot 2 14 3 OR . 1 1 21 21 LEU H H . . . 1 1 22 22 LEU HB3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 21 LEU H . . F . 22 LEU HB3 . fSH2 . 21 . HN . . . fSH2 . 22 . HB* . . rr_1aot 2 14 4 OR . 1 1 21 21 LEU H H . . . 1 1 21 21 LEU HB3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 21 LEU H . . F . 21 LEU HB3 . fSH2 . 21 . HN . . . fSH2 . 21 . HB* . . rr_1aot 2 15 1 OR . 1 1 22 22 LEU H H . . . 1 1 21 21 LEU HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 22 LEU H . . F . 21 LEU HB2 . fSH2 . 22 . HN . . . fSH2 . 21 . HB* . . rr_1aot 2 15 2 OR . 1 1 22 22 LEU H H . . . 1 1 22 22 LEU HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 22 LEU H . . F . 22 LEU HB2 . fSH2 . 22 . HN . . . fSH2 . 22 . HB* . . rr_1aot 2 15 3 OR . 1 1 22 22 LEU H H . . . 1 1 22 22 LEU HB3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 22 LEU H . . F . 22 LEU HB3 . fSH2 . 22 . HN . . . fSH2 . 22 . HB* . . rr_1aot 2 15 4 OR . 1 1 22 22 LEU H H . . . 1 1 21 21 LEU HB3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 22 LEU H . . F . 21 LEU HB3 . fSH2 . 22 . HN . . . fSH2 . 21 . HB* . . rr_1aot 2 16 1 OR . 1 1 22 22 LEU H H . . . 1 1 21 21 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 22 LEU H . . F . 21 LEU MD1 . fSH2 . 22 . HN . . . fSH2 . 21 . HD* . . rr_1aot 2 16 2 OR . 1 1 22 22 LEU H H . . . 1 1 22 22 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 22 LEU H . . F . 22 LEU MD2 . fSH2 . 22 . HN . . . fSH2 . 22 . HD2* . . rr_1aot 2 16 3 OR . 1 1 21 21 LEU MD2 H . . . 1 1 22 22 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 21 LEU MD2 . . F . 22 LEU H . fSH2 . 21 . HD* . . . fSH2 . 22 . HN . . rr_1aot 2 17 1 OR . 1 1 23 23 SER H H . . . 1 1 21 21 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 23 SER H . . F . 21 LEU MD1 . fSH2 . 23 . HN . . . fSH2 . 21 . HD* . . rr_1aot 2 17 2 OR . 1 1 22 22 LEU MD2 H . . . 1 1 23 23 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 22 LEU MD2 . . F . 23 SER H . fSH2 . 22 . HD2* . . . fSH2 . 23 . HN . . rr_1aot 2 17 3 OR . 1 1 21 21 LEU MD2 H . . . 1 1 23 23 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 21 LEU MD2 . . F . 23 SER H . fSH2 . 21 . HD* . . . fSH2 . 23 . HN . . rr_1aot 2 18 1 OR . 1 1 22 22 LEU H H . . . 1 1 21 21 LEU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 22 LEU H . . F . 21 LEU HB2 . fSH2 . 22 . HN . . . fSH2 . 21 . HB* . . rr_1aot 2 18 2 OR . 1 1 22 22 LEU H H . . . 1 1 22 22 LEU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 22 LEU H . . F . 22 LEU HB2 . fSH2 . 22 . HN . . . fSH2 . 22 . HB* . . rr_1aot 2 18 3 OR . 1 1 22 22 LEU H H . . . 1 1 22 22 LEU HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 22 LEU H . . F . 22 LEU HB3 . fSH2 . 22 . HN . . . fSH2 . 22 . HB* . . rr_1aot 2 18 4 OR . 1 1 22 22 LEU H H . . . 1 1 21 21 LEU HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 22 LEU H . . F . 21 LEU HB3 . fSH2 . 22 . HN . . . fSH2 . 21 . HB* . . rr_1aot 2 19 1 OR . 1 1 30 30 THR HG1 H . . . 1 1 30 30 THR HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 30 THR HG1 . . F . 30 THR HB . fSH2 . 30 . HG1 . . . fSH2 . 30 . HB . . rr_1aot 2 19 2 OR . 1 1 30 30 THR HG1 H . . . 1 1 27 27 PRO HD2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 30 THR HG1 . . F . 27 PRO HD2 . fSH2 . 30 . HG1 . . . fSH2 . 27 . HD2 . . rr_1aot 2 20 1 OR . 1 1 30 30 THR HG1 H . . . 1 1 27 27 PRO HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR HG1 . . F . 27 PRO HB2 . fSH2 . 30 . HG1 . . . fSH2 . 27 . HB* . . rr_1aot 2 20 2 OR . 1 1 30 30 THR HG1 H . . . 1 1 27 27 PRO HG2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR HG1 . . F . 27 PRO HG2 . fSH2 . 30 . HG1 . . . fSH2 . 27 . HG* . . rr_1aot 2 20 3 OR . 1 1 30 30 THR HG1 H . . . 1 1 27 27 PRO HG3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR HG1 . . F . 27 PRO HG3 . fSH2 . 30 . HG1 . . . fSH2 . 27 . HG* . . rr_1aot 2 20 4 OR . 1 1 30 30 THR HG1 H . . . 1 1 27 27 PRO HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR HG1 . . F . 27 PRO HB3 . fSH2 . 30 . HG1 . . . fSH2 . 27 . HB* . . rr_1aot 2 21 1 OR . 1 1 30 30 THR H H . . . 1 1 30 30 THR HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 30 THR H . . F . 30 THR HB . fSH2 . 30 . HN . . . fSH2 . 30 . HB . . rr_1aot 2 21 2 OR . 1 1 28 28 ARG HA H . . . 1 1 30 30 THR H H . . . . . 0.0 -1.8 3.5 . . . . . F . 28 ARG HA . . F . 30 THR H . fSH2 . 28 . HA . . . fSH2 . 30 . HN . . rr_1aot 2 22 1 OR . 1 1 31 31 PHE H H . . . 1 1 102 102 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 31 PHE H . . F . 102 VAL MG1 . fSH2 . 31 . HN . . . fSH2 . 102 . HG1* . . rr_1aot 2 22 2 OR . 1 1 30 30 THR MG H . . . 1 1 31 31 PHE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR MG . . F . 31 PHE H . fSH2 . 30 . HG2* . . . fSH2 . 31 . HN . . rr_1aot 2 23 1 OR . 1 1 47 47 ILE MG H . . . 1 1 31 31 PHE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE MG . . F . 31 PHE HA . fSH2 . 47 . HG2* . . . fSH2 . 31 . HA . . rr_1aot 2 23 2 OR . 1 1 47 47 ILE MD H . . . 1 1 31 31 PHE HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE MD . . F . 31 PHE HA . fSH2 . 47 . HD1* . . . fSH2 . 31 . HA . . rr_1aot 2 24 1 OR . 1 1 33 33 ILE H H . . . 1 1 32 32 LEU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE H . . F . 32 LEU HB2 . fSH2 . 33 . HN . . . fSH2 . 32 . HB* . . rr_1aot 2 24 2 OR . 1 1 33 33 ILE H H . . . 1 1 32 32 LEU HG H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE H . . F . 32 LEU HG . fSH2 . 33 . HN . . . fSH2 . 32 . HG* . . rr_1aot 2 24 3 OR . 1 1 32 32 LEU HB3 H . . . 1 1 33 33 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 32 LEU HB3 . . F . 33 ILE H . fSH2 . 32 . HB* . . . fSH2 . 33 . HN . . rr_1aot 2 25 1 OR . 1 1 38 38 THR HB H . . . 1 1 36 36 SER HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 38 THR HB . . F . 36 SER HB2 . fSH2 . 38 . HB . . . fSH2 . 36 . HB2 . . rr_1aot 2 25 2 OR . 1 1 38 38 THR HA H . . . 1 1 36 36 SER HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 38 THR HA . . F . 36 SER HB2 . fSH2 . 38 . HA . . . fSH2 . 36 . HB2 . . rr_1aot 2 25 3 OR . 1 1 36 36 SER HB2 H . . . 1 1 37 37 GLU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 36 SER HB2 . . F . 37 GLU HA . fSH2 . 36 . HB2 . . . fSH2 . 37 . HA . . rr_1aot 2 26 1 OR . 1 1 38 38 THR HB H . . . 1 1 36 36 SER HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 38 THR HB . . F . 36 SER HB3 . fSH2 . 38 . HB . . . fSH2 . 36 . HB1 . . rr_1aot 2 26 2 OR . 1 1 38 38 THR HA H . . . 1 1 36 36 SER HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 38 THR HA . . F . 36 SER HB3 . fSH2 . 38 . HA . . . fSH2 . 36 . HB1 . . rr_1aot 2 26 3 OR . 1 1 36 36 SER HB3 H . . . 1 1 37 37 GLU HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 36 SER HB3 . . F . 37 GLU HA . fSH2 . 36 . HB1 . . . fSH2 . 37 . HA . . rr_1aot 2 27 1 OR . 1 1 41 41 GLY H H . . . 1 1 41 41 GLY HA3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 41 GLY H . . F . 41 GLY HA3 . fSH2 . 41 . HN . . . fSH2 . 41 . HA1 . . rr_1aot 2 27 2 OR . 1 1 40 40 LYS HA H . . . 1 1 41 41 GLY H H . . . . . 0.0 -1.8 2.7 . . . . . F . 40 LYS HA . . F . 41 GLY H . fSH2 . 40 . HA . . . fSH2 . 41 . HN . . rr_1aot 2 28 1 OR . 1 1 42 42 ALA H H . . . 1 1 41 41 GLY HA3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 42 ALA H . . F . 41 GLY HA3 . fSH2 . 42 . HN . . . fSH2 . 41 . HA1 . . rr_1aot 2 28 2 OR . 1 1 40 40 LYS HA H . . . 1 1 42 42 ALA H H . . . . . 0.0 -1.8 3.5 . . . . . F . 40 LYS HA . . F . 42 ALA H . fSH2 . 40 . HA . . . fSH2 . 42 . HN . . rr_1aot 2 29 1 OR . 1 1 33 33 ILE MG H . . . 1 1 44 44 SER H H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE MG . . F . 44 SER H . fSH2 . 33 . HG2* . . . fSH2 . 44 . HN . . rr_1aot 2 29 2 OR . 1 1 44 44 SER H H . . . 1 1 63 63 ILE HG12 H . . . . . 0.0 -1.8 5.0 . . . . . F . 44 SER H . . F . 63 ILE HG12 . fSH2 . 44 . HN . . . fSH2 . 63 . HG12 . . rr_1aot 2 30 1 OR . 1 1 44 44 SER HB3 H . . . 1 1 43 43 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . F . 44 SER HB3 . . F . 43 TYR QD . fSH2 . 44 . HB1 . . . fSH2 . 43 . HD* . . rr_1aot 2 30 2 OR . 1 1 44 44 SER HB3 H . . . 1 1 8 8 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . F . 44 SER HB3 . . F . 8 TYR QD . fSH2 . 44 . HB1 . . . fSH2 . 8 . HD* . . rr_1aot 2 31 1 OR . 1 1 45 45 LEU H H . . . 1 1 63 63 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU H . . F . 63 ILE MD . fSH2 . 45 . HN . . . fSH2 . 63 . HD1* . . rr_1aot 2 31 2 OR . 1 1 45 45 LEU H H . . . 1 1 45 45 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 45 LEU H . . F . 45 LEU MD1 . fSH2 . 45 . HN . . . fSH2 . 45 . HD1* . . rr_1aot 2 32 1 OR . 1 1 60 60 HIS H H . . . 1 1 47 47 ILE H H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS H . . F . 47 ILE H . fSH2 . 60 . HN . . . fSH2 . 47 . HN . . rr_1aot 2 32 2 OR . 1 1 47 47 ILE H H . . . 1 1 59 59 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 47 ILE H . . F . 59 LYS H . fSH2 . 47 . HN . . . fSH2 . 59 . HN . . rr_1aot 2 33 1 OR . 1 1 48 48 ARG H H . . . 1 1 48 48 ARG HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG H . . F . 48 ARG HB2 . fSH2 . 48 . HN . . . fSH2 . 48 . HB* . . rr_1aot 2 33 2 OR . 1 1 48 48 ARG H H . . . 1 1 49 49 ASP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG H . . F . 49 ASP HB2 . fSH2 . 48 . HN . . . fSH2 . 49 . HB2 . . rr_1aot 2 33 3 OR . 1 1 48 48 ARG H H . . . 1 1 48 48 ARG HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG H . . F . 48 ARG HB3 . fSH2 . 48 . HN . . . fSH2 . 48 . HB* . . rr_1aot 2 34 1 OR . 1 1 48 48 ARG H H . . . 1 1 30 30 THR HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 48 ARG H . . F . 30 THR HB . fSH2 . 48 . HN . . . fSH2 . 30 . HB . . rr_1aot 2 34 2 OR . 1 1 28 28 ARG HA H . . . 1 1 48 48 ARG H H . . . . . 0.0 -1.8 5.0 . . . . . F . 28 ARG HA . . F . 48 ARG H . fSH2 . 28 . HA . . . fSH2 . 48 . HN . . rr_1aot 2 35 1 OR . 1 1 49 49 ASP H H . . . 1 1 21 21 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP H . . F . 21 LEU MD1 . fSH2 . 49 . HN . . . fSH2 . 21 . HD* . . rr_1aot 2 35 2 OR . 1 1 49 49 ASP H H . . . 1 1 22 22 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP H . . F . 22 LEU MD2 . fSH2 . 49 . HN . . . fSH2 . 22 . HD2* . . rr_1aot 2 35 3 OR . 1 1 21 21 LEU MD2 H . . . 1 1 49 49 ASP H H . . . . . 0.0 -1.8 5.0 . . . . . F . 21 LEU MD2 . . F . 49 ASP H . fSH2 . 21 . HD* . . . fSH2 . 49 . HN . . rr_1aot 2 36 1 OR . 1 1 49 49 ASP H H . . . 1 1 48 48 ARG HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP H . . F . 48 ARG HB2 . fSH2 . 49 . HN . . . fSH2 . 48 . HB* . . rr_1aot 2 36 2 OR . 1 1 49 49 ASP H H . . . 1 1 49 49 ASP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP H . . F . 49 ASP HB2 . fSH2 . 49 . HN . . . fSH2 . 49 . HB2 . . rr_1aot 2 36 3 OR . 1 1 49 49 ASP H H . . . 1 1 48 48 ARG HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP H . . F . 48 ARG HB3 . fSH2 . 49 . HN . . . fSH2 . 48 . HB* . . rr_1aot 2 37 1 OR . 1 1 49 49 ASP H H . . . 1 1 59 59 LYS HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP H . . F . 59 LYS HB2 . fSH2 . 49 . HN . . . fSH2 . 59 . HB* . . rr_1aot 2 37 2 OR . 1 1 49 49 ASP H H . . . 1 1 59 59 LYS HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP H . . F . 59 LYS HB3 . fSH2 . 49 . HN . . . fSH2 . 59 . HB* . . rr_1aot 2 37 3 OR . 1 1 49 49 ASP H H . . . 1 1 58 58 VAL HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 49 ASP H . . F . 58 VAL HB . fSH2 . 49 . HN . . . fSH2 . 58 . HB* . . rr_1aot 2 38 1 OR . 1 1 52 52 ASP H H . . . 1 1 52 52 ASP HA H . . . . . 0.0 -1.8 2.7 . . . . . F . 52 ASP H . . F . 52 ASP HA . fSH2 . 52 . HN . . . fSH2 . 52 . HA . . rr_1aot 2 38 2 OR . 1 1 51 51 ASP HA H . . . 1 1 52 52 ASP H H . . . . . 0.0 -1.8 2.7 . . . . . F . 51 ASP HA . . F . 52 ASP H . fSH2 . 51 . HA . . . fSH2 . 52 . HN . . rr_1aot 2 39 1 OR . 1 1 51 51 ASP H H . . . 1 1 52 52 ASP HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 51 ASP H . . F . 52 ASP HB3 . fSH2 . 51 . HN . . . fSH2 . 52 . HB1 . . rr_1aot 2 39 2 OR . 1 1 51 51 ASP H H . . . 1 1 51 51 ASP HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 51 ASP H . . F . 51 ASP HB3 . fSH2 . 51 . HN . . . fSH2 . 51 . HB1 . . rr_1aot 2 40 1 OR . 1 1 51 51 ASP H H . . . 1 1 52 52 ASP HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 51 ASP H . . F . 52 ASP HB2 . fSH2 . 51 . HN . . . fSH2 . 52 . HB2 . . rr_1aot 2 40 2 OR . 1 1 51 51 ASP H H . . . 1 1 51 51 ASP HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 51 ASP H . . F . 51 ASP HB2 . fSH2 . 51 . HN . . . fSH2 . 51 . HB2 . . rr_1aot 2 41 1 OR . 1 1 52 52 ASP H H . . . 1 1 52 52 ASP HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 52 ASP H . . F . 52 ASP HB3 . fSH2 . 52 . HN . . . fSH2 . 52 . HB1 . . rr_1aot 2 41 2 OR . 1 1 52 52 ASP H H . . . 1 1 51 51 ASP HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 52 ASP H . . F . 51 ASP HB3 . fSH2 . 52 . HN . . . fSH2 . 51 . HB1 . . rr_1aot 2 42 1 OR . 1 1 52 52 ASP H H . . . 1 1 52 52 ASP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 52 ASP H . . F . 52 ASP HB2 . fSH2 . 52 . HN . . . fSH2 . 52 . HB2 . . rr_1aot 2 42 2 OR . 1 1 52 52 ASP H H . . . 1 1 51 51 ASP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 52 ASP H . . F . 51 ASP HB2 . fSH2 . 52 . HN . . . fSH2 . 51 . HB2 . . rr_1aot 2 43 1 OR . 1 1 53 53 MET H H . . . 1 1 52 52 ASP HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET H . . F . 52 ASP HB3 . fSH2 . 53 . HN . . . fSH2 . 52 . HB1 . . rr_1aot 2 43 2 OR . 1 1 53 53 MET H H . . . 1 1 51 51 ASP HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET H . . F . 51 ASP HB3 . fSH2 . 53 . HN . . . fSH2 . 51 . HB1 . . rr_1aot 2 44 1 OR . 1 1 53 53 MET H H . . . 1 1 52 52 ASP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET H . . F . 52 ASP HB2 . fSH2 . 53 . HN . . . fSH2 . 52 . HB2 . . rr_1aot 2 44 2 OR . 1 1 53 53 MET H H . . . 1 1 51 51 ASP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 53 MET H . . F . 51 ASP HB2 . fSH2 . 53 . HN . . . fSH2 . 51 . HB2 . . rr_1aot 2 45 1 OR . 1 1 53 53 MET H H . . . 1 1 52 52 ASP HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 53 MET H . . F . 52 ASP HA . fSH2 . 53 . HN . . . fSH2 . 52 . HA . . rr_1aot 2 45 2 OR . 1 1 51 51 ASP HA H . . . 1 1 53 53 MET H H . . . . . 0.0 -1.8 3.5 . . . . . F . 51 ASP HA . . F . 53 MET H . fSH2 . 51 . HA . . . fSH2 . 53 . HN . . rr_1aot 2 46 1 OR . 1 1 54 54 LYS H H . . . 1 1 52 52 ASP HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 54 LYS H . . F . 52 ASP HA . fSH2 . 54 . HN . . . fSH2 . 52 . HA . . rr_1aot 2 46 2 OR . 1 1 51 51 ASP HA H . . . 1 1 54 54 LYS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 51 ASP HA . . F . 54 LYS H . fSH2 . 51 . HA . . . fSH2 . 54 . HN . . rr_1aot 2 47 1 OR . 1 1 55 55 GLY H H . . . 1 1 52 52 ASP HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 55 GLY H . . F . 52 ASP HB3 . fSH2 . 55 . HN . . . fSH2 . 52 . HB1 . . rr_1aot 2 47 2 OR . 1 1 55 55 GLY H H . . . 1 1 51 51 ASP HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 55 GLY H . . F . 51 ASP HB3 . fSH2 . 55 . HN . . . fSH2 . 51 . HB1 . . rr_1aot 2 48 1 OR . 1 1 55 55 GLY H H . . . 1 1 52 52 ASP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 55 GLY H . . F . 52 ASP HB2 . fSH2 . 55 . HN . . . fSH2 . 52 . HB2 . . rr_1aot 2 48 2 OR . 1 1 55 55 GLY H H . . . 1 1 51 51 ASP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 55 GLY H . . F . 51 ASP HB2 . fSH2 . 55 . HN . . . fSH2 . 51 . HB2 . . rr_1aot 2 49 1 OR . 1 1 55 55 GLY H H . . . 1 1 52 52 ASP HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 55 GLY H . . F . 52 ASP HA . fSH2 . 55 . HN . . . fSH2 . 52 . HA . . rr_1aot 2 49 2 OR . 1 1 51 51 ASP HA H . . . 1 1 55 55 GLY H H . . . . . 0.0 -1.8 5.0 . . . . . F . 51 ASP HA . . F . 55 GLY H . fSH2 . 51 . HA . . . fSH2 . 55 . HN . . rr_1aot 2 50 1 OR . 1 1 57 57 HIS H H . . . 1 1 48 48 ARG HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 57 HIS H . . F . 48 ARG HB2 . fSH2 . 57 . HN . . . fSH2 . 48 . HB* . . rr_1aot 2 50 2 OR . 1 1 57 57 HIS H H . . . 1 1 49 49 ASP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 57 HIS H . . F . 49 ASP HB2 . fSH2 . 57 . HN . . . fSH2 . 49 . HB2 . . rr_1aot 2 50 3 OR . 1 1 57 57 HIS H H . . . 1 1 48 48 ARG HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 57 HIS H . . F . 48 ARG HB3 . fSH2 . 57 . HN . . . fSH2 . 48 . HB* . . rr_1aot 2 51 1 OR . 1 1 57 57 HIS H H . . . 1 1 59 59 LYS HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 57 HIS H . . F . 59 LYS HB2 . fSH2 . 57 . HN . . . fSH2 . 59 . HB* . . rr_1aot 2 51 2 OR . 1 1 57 57 HIS H H . . . 1 1 59 59 LYS HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 57 HIS H . . F . 59 LYS HB3 . fSH2 . 57 . HN . . . fSH2 . 59 . HB* . . rr_1aot 2 51 3 OR . 1 1 57 57 HIS H H . . . 1 1 58 58 VAL HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 57 HIS H . . F . 58 VAL HB . fSH2 . 57 . HN . . . fSH2 . 58 . HB* . . rr_1aot 2 52 1 OR . 1 1 58 58 VAL H H . . . 1 1 48 48 ARG HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL H . . F . 48 ARG HB2 . fSH2 . 58 . HN . . . fSH2 . 48 . HB* . . rr_1aot 2 52 2 OR . 1 1 58 58 VAL H H . . . 1 1 49 49 ASP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL H . . F . 49 ASP HB2 . fSH2 . 58 . HN . . . fSH2 . 49 . HB2 . . rr_1aot 2 52 3 OR . 1 1 58 58 VAL H H . . . 1 1 48 48 ARG HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 58 VAL H . . F . 48 ARG HB3 . fSH2 . 58 . HN . . . fSH2 . 48 . HB* . . rr_1aot 2 53 1 OR . 1 1 58 58 VAL H H . . . 1 1 59 59 LYS HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 58 VAL H . . F . 59 LYS HB2 . fSH2 . 58 . HN . . . fSH2 . 59 . HB* . . rr_1aot 2 53 2 OR . 1 1 58 58 VAL H H . . . 1 1 59 59 LYS HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 58 VAL H . . F . 59 LYS HB3 . fSH2 . 58 . HN . . . fSH2 . 59 . HB* . . rr_1aot 2 53 3 OR . 1 1 58 58 VAL H H . . . 1 1 58 58 VAL HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 58 VAL H . . F . 58 VAL HB . fSH2 . 58 . HN . . . fSH2 . 58 . HB* . . rr_1aot 2 54 1 OR . 1 1 59 59 LYS H H . . . 1 1 48 48 ARG HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 59 LYS H . . F . 48 ARG HB2 . fSH2 . 59 . HN . . . fSH2 . 48 . HB* . . rr_1aot 2 54 2 OR . 1 1 59 59 LYS H H . . . 1 1 49 49 ASP HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 59 LYS H . . F . 49 ASP HB2 . fSH2 . 59 . HN . . . fSH2 . 49 . HB2 . . rr_1aot 2 54 3 OR . 1 1 59 59 LYS H H . . . 1 1 48 48 ARG HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 59 LYS H . . F . 48 ARG HB3 . fSH2 . 59 . HN . . . fSH2 . 48 . HB* . . rr_1aot 2 55 1 OR . 1 1 59 59 LYS H H . . . 1 1 59 59 LYS HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 59 LYS H . . F . 59 LYS HB2 . fSH2 . 59 . HN . . . fSH2 . 59 . HB* . . rr_1aot 2 55 2 OR . 1 1 59 59 LYS H H . . . 1 1 59 59 LYS HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 59 LYS H . . F . 59 LYS HB3 . fSH2 . 59 . HN . . . fSH2 . 59 . HB* . . rr_1aot 2 55 3 OR . 1 1 59 59 LYS H H . . . 1 1 58 58 VAL HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 59 LYS H . . F . 58 VAL HB . fSH2 . 59 . HN . . . fSH2 . 58 . HB* . . rr_1aot 2 56 1 OR . 1 1 60 60 HIS HE1 H . . . 1 1 59 59 LYS HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS HE1 . . F . 59 LYS HB2 . fSH2 . 60 . HE1 . . . fSH2 . 59 . HB* . . rr_1aot 2 56 2 OR . 1 1 60 60 HIS HE1 H . . . 1 1 59 59 LYS HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS HE1 . . F . 59 LYS HB3 . fSH2 . 60 . HE1 . . . fSH2 . 59 . HB* . . rr_1aot 2 56 3 OR . 1 1 60 60 HIS HE1 H . . . 1 1 58 58 VAL HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 60 HIS HE1 . . F . 58 VAL HB . fSH2 . 60 . HE1 . . . fSH2 . 58 . HB* . . rr_1aot 2 57 1 OR . 1 1 60 60 HIS H H . . . 1 1 59 59 LYS HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 60 HIS H . . F . 59 LYS HB2 . fSH2 . 60 . HN . . . fSH2 . 59 . HB* . . rr_1aot 2 57 2 OR . 1 1 60 60 HIS H H . . . 1 1 59 59 LYS HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 60 HIS H . . F . 59 LYS HB3 . fSH2 . 60 . HN . . . fSH2 . 59 . HB* . . rr_1aot 2 57 3 OR . 1 1 60 60 HIS H H . . . 1 1 58 58 VAL HB H . . . . . 0.0 -1.8 3.5 . . . . . F . 60 HIS H . . F . 58 VAL HB . fSH2 . 60 . HN . . . fSH2 . 58 . HB* . . rr_1aot 2 58 1 OR . 1 1 62 62 LYS H H . . . 1 1 63 63 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 62 LYS H . . F . 63 ILE H . fSH2 . 62 . HN . . . fSH2 . 63 . HN . . rr_1aot 2 58 2 OR . 1 1 45 45 LEU H H . . . 1 1 63 63 ILE H H . . . . . 0.0 -1.8 3.5 . . . . . F . 45 LEU H . . F . 63 ILE H . fSH2 . 45 . HN . . . fSH2 . 63 . HN . . rr_1aot 2 59 1 OR . 1 1 69 69 GLY H H . . . 1 1 70 70 GLY HA2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 69 GLY H . . F . 70 GLY HA2 . fSH2 . 69 . HN . . . fSH2 . 70 . HA2 . . rr_1aot 2 59 2 OR . 1 1 69 69 GLY H H . . . 1 1 69 69 GLY HA2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 69 GLY H . . F . 69 GLY HA2 . fSH2 . 69 . HN . . . fSH2 . 69 . HA2 . . rr_1aot 2 60 1 OR . 1 1 70 70 GLY H H . . . 1 1 70 70 GLY HA2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 70 GLY H . . F . 70 GLY HA2 . fSH2 . 70 . HN . . . fSH2 . 70 . HA2 . . rr_1aot 2 60 2 OR . 1 1 70 70 GLY H H . . . 1 1 69 69 GLY HA2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 70 GLY H . . F . 69 GLY HA2 . fSH2 . 70 . HN . . . fSH2 . 69 . HA2 . . rr_1aot 2 61 1 OR . 1 1 71 71 TYR H H . . . 1 1 85 85 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 71 TYR H . . F . 85 LEU MD2 . fSH2 . 71 . HN . . . fSH2 . 85 . HD2* . . rr_1aot 2 61 2 OR . 1 1 63 63 ILE MG H . . . 1 1 71 71 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 63 ILE MG . . F . 71 TYR H . fSH2 . 63 . HG2* . . . fSH2 . 71 . HN . . rr_1aot 2 62 1 OR . 1 1 71 71 TYR H H . . . 1 1 70 70 GLY HA2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 71 TYR H . . F . 70 GLY HA2 . fSH2 . 71 . HN . . . fSH2 . 70 . HA2 . . rr_1aot 2 62 2 OR . 1 1 71 71 TYR H H . . . 1 1 69 69 GLY HA2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 71 TYR H . . F . 69 GLY HA2 . fSH2 . 71 . HN . . . fSH2 . 69 . HA2 . . rr_1aot 2 63 1 OR . 1 1 72 72 TYR QE H . . . 1 1 66 66 LEU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QE . . F . 66 LEU HB2 . fSH2 . 72 . HE* . . . fSH2 . 66 . HB* . . rr_1aot 2 63 2 OR . 1 1 66 66 LEU HG H . . . 1 1 72 72 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU HG . . F . 72 TYR QE . fSH2 . 66 . HG . . . fSH2 . 72 . HE* . . rr_1aot 2 63 3 OR . 1 1 66 66 LEU HB3 H . . . 1 1 72 72 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU HB3 . . F . 72 TYR QE . fSH2 . 66 . HB* . . . fSH2 . 72 . HE* . . rr_1aot 2 64 1 OR . 1 1 72 72 TYR QD H . . . 1 1 66 66 LEU HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 72 TYR QD . . F . 66 LEU HB2 . fSH2 . 72 . HD* . . . fSH2 . 66 . HB* . . rr_1aot 2 64 2 OR . 1 1 66 66 LEU HG H . . . 1 1 72 72 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU HG . . F . 72 TYR QD . fSH2 . 66 . HG . . . fSH2 . 72 . HD* . . rr_1aot 2 64 3 OR . 1 1 66 66 LEU HB3 H . . . 1 1 72 72 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 66 LEU HB3 . . F . 72 TYR QD . fSH2 . 66 . HB* . . . fSH2 . 72 . HD* . . rr_1aot 2 65 1 OR . 1 1 72 72 TYR H H . . . 1 1 72 72 TYR HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 72 TYR H . . F . 72 TYR HB3 . fSH2 . 72 . HN . . . fSH2 . 72 . HB1 . . rr_1aot 2 65 2 OR . 1 1 72 72 TYR H H . . . 1 1 71 71 TYR HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 72 TYR H . . F . 71 TYR HB3 . fSH2 . 72 . HN . . . fSH2 . 71 . HB1 . . rr_1aot 2 66 1 OR . 1 1 79 79 PHE H H . . . 1 1 72 72 TYR HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 79 PHE H . . F . 72 TYR HB3 . fSH2 . 79 . HN . . . fSH2 . 72 . HB1 . . rr_1aot 2 66 2 OR . 1 1 79 79 PHE H H . . . 1 1 71 71 TYR HB3 H . . . . . 0.0 -1.8 5.0 . . . . . F . 79 PHE H . . F . 71 TYR HB3 . fSH2 . 79 . HN . . . fSH2 . 71 . HB1 . . rr_1aot 2 67 1 OR . 1 1 87 87 GLN H H . . . 1 1 79 79 PHE HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 87 GLN H . . F . 79 PHE HB2 . fSH2 . 87 . HN . . . fSH2 . 79 . HB* . . rr_1aot 2 67 2 OR . 1 1 86 86 VAL H H . . . 1 1 79 79 PHE HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 86 VAL H . . F . 79 PHE HB2 . fSH2 . 86 . HN . . . fSH2 . 79 . HB* . . rr_1aot 2 67 3 OR . 1 1 79 79 PHE HB3 H . . . 1 1 87 87 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 79 PHE HB3 . . F . 87 GLN H . fSH2 . 79 . HB* . . . fSH2 . 87 . HN . . rr_1aot 2 67 4 OR . 1 1 79 79 PHE HB3 H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 79 PHE HB3 . . F . 86 VAL H . fSH2 . 79 . HB* . . . fSH2 . 86 . HN . . rr_1aot 2 68 1 OR . 1 1 81 81 THR HG1 H . . . 1 1 83 83 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HG1 . . F . 83 GLN H . fSH2 . 81 . HG1 . . . fSH2 . 83 . HN . . rr_1aot 2 68 2 OR . 1 1 81 81 THR HG1 H . . . 1 1 82 82 LEU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 81 THR HG1 . . F . 82 LEU H . fSH2 . 81 . HG1 . . . fSH2 . 82 . HN . . rr_1aot 2 69 1 OR . 1 1 82 82 LEU MD1 H . . . 1 1 43 43 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU MD1 . . F . 43 TYR QE . fSH2 . 82 . HD1* . . . fSH2 . 43 . HE* . . rr_1aot 2 69 2 OR . 1 1 82 82 LEU MD1 H . . . 1 1 8 8 TYR QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 82 LEU MD1 . . F . 8 TYR QE . fSH2 . 82 . HD1* . . . fSH2 . 8 . HE* . . rr_1aot 2 70 1 OR . 1 1 87 87 GLN H H . . . 1 1 83 83 GLN HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 87 GLN H . . F . 83 GLN HB2 . fSH2 . 87 . HN . . . fSH2 . 83 . HB* . . rr_1aot 2 70 2 OR . 1 1 86 86 VAL H H . . . 1 1 83 83 GLN HB2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 86 VAL H . . F . 83 GLN HB2 . fSH2 . 86 . HN . . . fSH2 . 83 . HB* . . rr_1aot 2 70 3 OR . 1 1 83 83 GLN HB3 H . . . 1 1 87 87 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 83 GLN HB3 . . F . 87 GLN H . fSH2 . 83 . HB* . . . fSH2 . 87 . HN . . rr_1aot 2 70 4 OR . 1 1 83 83 GLN HB3 H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 83 GLN HB3 . . F . 86 VAL H . fSH2 . 83 . HB* . . . fSH2 . 86 . HN . . rr_1aot 2 71 1 OR . 1 1 85 85 LEU H H . . . 1 1 87 87 GLN H H . . . . . 0.0 -1.8 2.7 . . . . . F . 85 LEU H . . F . 87 GLN H . fSH2 . 85 . HN . . . fSH2 . 87 . HN . . rr_1aot 2 71 2 OR . 1 1 85 85 LEU H H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 2.7 . . . . . F . 85 LEU H . . F . 86 VAL H . fSH2 . 85 . HN . . . fSH2 . 86 . HN . . rr_1aot 2 72 1 OR . 1 1 85 85 LEU HA H . . . 1 1 87 87 GLN H H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU HA . . F . 87 GLN H . fSH2 . 85 . HA . . . fSH2 . 87 . HN . . rr_1aot 2 72 2 OR . 1 1 85 85 LEU HA H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 85 LEU HA . . F . 86 VAL H . fSH2 . 85 . HA . . . fSH2 . 86 . HN . . rr_1aot 2 73 1 OR . 1 1 100 100 LEU MD1 H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 100 LEU MD1 . . F . 86 VAL H . fSH2 . 100 . HD1* . . . fSH2 . 86 . HN . . rr_1aot 2 73 2 OR . 1 1 87 87 GLN H H . . . 1 1 86 86 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 87 GLN H . . F . 86 VAL MG1 . fSH2 . 87 . HN . . . fSH2 . 86 . HG1* . . rr_1aot 2 73 3 OR . 1 1 86 86 VAL MG1 H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 86 VAL MG1 . . F . 86 VAL H . fSH2 . 86 . HG1* . . . fSH2 . 86 . HN . . rr_1aot 2 73 4 OR . 1 1 87 87 GLN H H . . . 1 1 100 100 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 87 GLN H . . F . 100 LEU MD1 . fSH2 . 87 . HN . . . fSH2 . 100 . HD1* . . rr_1aot 2 74 1 OR . 1 1 87 87 GLN H H . . . 1 1 86 86 VAL MG1 H . . . . . 0.0 -1.8 2.7 . . . . . F . 87 GLN H . . F . 86 VAL MG1 . fSH2 . 87 . HN . . . fSH2 . 86 . HG1* . . rr_1aot 2 74 2 OR . 1 1 86 86 VAL MG1 H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 2.7 . . . . . F . 86 VAL MG1 . . F . 86 VAL H . fSH2 . 86 . HG1* . . . fSH2 . 86 . HN . . rr_1aot 2 75 1 OR . 1 1 87 87 GLN H H . . . 1 1 86 86 VAL MG2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 87 GLN H . . F . 86 VAL MG2 . fSH2 . 87 . HN . . . fSH2 . 86 . HG2* . . rr_1aot 2 75 2 OR . 1 1 86 86 VAL MG2 H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 2.7 . . . . . F . 86 VAL MG2 . . F . 86 VAL H . fSH2 . 86 . HG2* . . . fSH2 . 86 . HN . . rr_1aot 2 76 1 OR . 1 1 87 87 GLN H H . . . 1 1 86 86 VAL HA H . . . . . 0.0 -1.8 5.0 . . . . . F . 87 GLN H . . F . 86 VAL HA . fSH2 . 87 . HN . . . fSH2 . 86 . HA . . rr_1aot 2 76 2 OR . 1 1 86 86 VAL HA H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 86 VAL HA . . F . 86 VAL H . fSH2 . 86 . HA . . . fSH2 . 86 . HN . . rr_1aot 2 77 1 OR . 1 1 87 87 GLN H H . . . 1 1 86 86 VAL HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 87 GLN H . . F . 86 VAL HB . fSH2 . 87 . HN . . . fSH2 . 86 . HB . . rr_1aot 2 77 2 OR . 1 1 86 86 VAL H H . . . 1 1 86 86 VAL HB H . . . . . 0.0 -1.8 5.0 . . . . . F . 86 VAL H . . F . 86 VAL HB . fSH2 . 86 . HN . . . fSH2 . 86 . HB . . rr_1aot 2 78 1 OR . 1 1 91 91 GLU H H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 91 GLU H . . F . 86 VAL H . fSH2 . 91 . HN . . . fSH2 . 86 . HN . . rr_1aot 2 78 2 OR . 1 1 86 86 VAL H H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 86 VAL H . . F . 89 TYR QD . fSH2 . 86 . HN . . . fSH2 . 89 . HD* . . rr_1aot 2 79 1 OR . 1 1 87 87 GLN H H . . . 1 1 87 87 GLN HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 87 GLN H . . F . 87 GLN HB3 . fSH2 . 87 . HN . . . fSH2 . 87 . HB1 . . rr_1aot 2 79 2 OR . 1 1 86 86 VAL H H . . . 1 1 87 87 GLN HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 86 VAL H . . F . 87 GLN HB3 . fSH2 . 86 . HN . . . fSH2 . 87 . HB1 . . rr_1aot 2 80 1 OR . 1 1 87 87 GLN H H . . . 1 1 87 87 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 87 GLN H . . F . 87 GLN HB2 . fSH2 . 87 . HN . . . fSH2 . 87 . HB2 . . rr_1aot 2 80 2 OR . 1 1 86 86 VAL H H . . . 1 1 87 87 GLN HB2 H . . . . . 0.0 -1.8 3.5 . . . . . F . 86 VAL H . . F . 87 GLN HB2 . fSH2 . 86 . HN . . . fSH2 . 87 . HB2 . . rr_1aot 2 81 1 OR . 1 1 87 87 GLN H H . . . 1 1 91 91 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 87 GLN H . . F . 91 GLU H . fSH2 . 87 . HN . . . fSH2 . 91 . HN . . rr_1aot 2 81 2 OR . 1 1 87 87 GLN H H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 87 GLN H . . F . 89 TYR QD . fSH2 . 87 . HN . . . fSH2 . 89 . HD* . . rr_1aot 2 82 1 OR . 1 1 88 88 HIS H H . . . 1 1 100 100 LEU MD1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 88 HIS H . . F . 100 LEU MD1 . fSH2 . 88 . HN . . . fSH2 . 100 . HD1* . . rr_1aot 2 82 2 OR . 1 1 88 88 HIS H H . . . 1 1 86 86 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 88 HIS H . . F . 86 VAL MG1 . fSH2 . 88 . HN . . . fSH2 . 86 . HG1* . . rr_1aot 2 83 1 OR . 1 1 87 87 GLN H H . . . 1 1 88 88 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 87 GLN H . . F . 88 HIS H . fSH2 . 87 . HN . . . fSH2 . 88 . HN . . rr_1aot 2 83 2 OR . 1 1 88 88 HIS H H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 88 HIS H . . F . 86 VAL H . fSH2 . 88 . HN . . . fSH2 . 86 . HN . . rr_1aot 2 84 1 OR . 1 1 88 88 HIS H H . . . 1 1 91 91 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 88 HIS H . . F . 91 GLU H . fSH2 . 88 . HN . . . fSH2 . 91 . HN . . rr_1aot 2 84 2 OR . 1 1 88 88 HIS H H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 88 HIS H . . F . 89 TYR QD . fSH2 . 88 . HN . . . fSH2 . 89 . HD* . . rr_1aot 2 85 1 OR . 1 1 87 87 GLN H H . . . 1 1 89 89 TYR H H . . . . . 0.0 -1.8 5.0 . . . . . F . 87 GLN H . . F . 89 TYR H . fSH2 . 87 . HN . . . fSH2 . 89 . HN . . rr_1aot 2 85 2 OR . 1 1 89 89 TYR H H . . . 1 1 86 86 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 89 TYR H . . F . 86 VAL H . fSH2 . 89 . HN . . . fSH2 . 86 . HN . . rr_1aot 2 86 1 OR . 1 1 89 89 TYR H H . . . 1 1 91 91 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 89 TYR H . . F . 91 GLU H . fSH2 . 89 . HN . . . fSH2 . 91 . HN . . rr_1aot 2 86 2 OR . 1 1 89 89 TYR H H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . F . 89 TYR H . . F . 89 TYR QD . fSH2 . 89 . HN . . . fSH2 . 89 . HD* . . rr_1aot 2 87 1 OR . 1 1 90 90 SER H H . . . 1 1 91 91 GLU H H . . . . . 0.0 -1.8 3.5 . . . . . F . 90 SER H . . F . 91 GLU H . fSH2 . 90 . HN . . . fSH2 . 91 . HN . . rr_1aot 2 87 2 OR . 1 1 90 90 SER H H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 3.5 . . . . . F . 90 SER H . . F . 89 TYR QD . fSH2 . 90 . HN . . . fSH2 . 89 . HD* . . rr_1aot 2 88 1 OR . 1 1 94 94 ALA H H . . . 1 1 94 94 ALA MB H . . . . . 0.0 -1.8 2.7 . . . . . F . 94 ALA H . . F . 94 ALA MB . fSH2 . 94 . HN . . . fSH2 . 94 . HB* . . rr_1aot 2 88 2 OR . 1 1 93 93 ALA MB H . . . 1 1 94 94 ALA H H . . . . . 0.0 -1.8 2.7 . . . . . F . 93 ALA MB . . F . 94 ALA H . fSH2 . 93 . HB* . . . fSH2 . 94 . HN . . rr_1aot 2 89 1 OR . 1 1 95 95 GLY H H . . . 1 1 94 94 ALA MB H . . . . . 0.0 -1.8 2.7 . . . . . F . 95 GLY H . . F . 94 ALA MB . fSH2 . 95 . HN . . . fSH2 . 94 . HB* . . rr_1aot 2 89 2 OR . 1 1 95 95 GLY H H . . . 1 1 93 93 ALA MB H . . . . . 0.0 -1.8 2.7 . . . . . F . 95 GLY H . . F . 93 ALA MB . fSH2 . 95 . HN . . . fSH2 . 93 . HB* . . rr_1aot 2 90 1 OR . 1 1 96 96 LEU H H . . . 1 1 94 94 ALA MB H . . . . . 0.0 -1.8 3.5 . . . . . F . 96 LEU H . . F . 94 ALA MB . fSH2 . 96 . HN . . . fSH2 . 94 . HB* . . rr_1aot 2 90 2 OR . 1 1 96 96 LEU H H . . . 1 1 93 93 ALA MB H . . . . . 0.0 -1.8 3.5 . . . . . F . 96 LEU H . . F . 93 ALA MB . fSH2 . 96 . HN . . . fSH2 . 93 . HB* . . rr_1aot 2 91 1 OR . 1 1 96 96 LEU H H . . . 1 1 91 91 GLU H H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU H . . F . 91 GLU H . fSH2 . 96 . HN . . . fSH2 . 91 . HN . . rr_1aot 2 91 2 OR . 1 1 96 96 LEU H H . . . 1 1 89 89 TYR QD H . . . . . 0.0 -1.8 5.0 . . . . . F . 96 LEU H . . F . 89 TYR QD . fSH2 . 96 . HN . . . fSH2 . 89 . HD* . . rr_1aot 2 92 1 OR . 1 1 100 100 LEU MD1 H . . . 1 1 100 100 LEU MD2 H . . . . . 0.0 -1.8 5.0 . . . . . F . 100 LEU MD1 . . F . 100 LEU MD2 . fSH2 . 100 . HD1* . . . fSH2 . 100 . HD2* . . rr_1aot 2 92 2 OR . 1 1 100 100 LEU MD2 H . . . 1 1 86 86 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 100 LEU MD2 . . F . 86 VAL MG1 . fSH2 . 100 . HD2* . . . fSH2 . 86 . HG1* . . rr_1aot 2 93 1 OR . 1 1 102 102 VAL H H . . . 1 1 102 102 VAL MG1 H . . . . . 0.0 -1.8 5.0 . . . . . F . 102 VAL H . . F . 102 VAL MG1 . fSH2 . 102 . HN . . . fSH2 . 102 . HG1* . . rr_1aot 2 93 2 OR . 1 1 30 30 THR MG H . . . 1 1 102 102 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 30 THR MG . . F . 102 VAL H . fSH2 . 30 . HG2* . . . fSH2 . 102 . HN . . rr_1aot 2 94 1 OR . 1 1 102 102 VAL H H . . . 1 1 31 31 PHE QE H . . . . . 0.0 -1.8 5.0 . . . . . F . 102 VAL H . . F . 31 PHE QE . fSH2 . 102 . HN . . . fSH2 . 31 . HE* . . rr_1aot 2 94 2 OR . 1 1 31 31 PHE QD H . . . 1 1 102 102 VAL H H . . . . . 0.0 -1.8 5.0 . . . . . F . 31 PHE QD . . F . 102 VAL H . fSH2 . 31 . HD* . . . fSH2 . 102 . HN . . rr_1aot 2 95 1 OR . 1 1 104 104 SER H H . . . 1 1 103 103 PRO HB2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 104 SER H . . F . 103 PRO HB2 . fSH2 . 104 . HN . . . fSH2 . 103 . HB* . . rr_1aot 2 95 2 OR . 1 1 104 104 SER H H . . . 1 1 103 103 PRO HG2 H . . . . . 0.0 -1.8 2.7 . . . . . F . 104 SER H . . F . 103 PRO HG2 . fSH2 . 104 . HN . . . fSH2 . 103 . HG* . . rr_1aot 2 95 3 OR . 1 1 104 104 SER H H . . . 1 1 103 103 PRO HG3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 104 SER H . . F . 103 PRO HG3 . fSH2 . 104 . HN . . . fSH2 . 103 . HG* . . rr_1aot 2 95 4 OR . 1 1 104 104 SER H H . . . 1 1 103 103 PRO HB3 H . . . . . 0.0 -1.8 2.7 . . . . . F . 104 SER H . . F . 103 PRO HB3 . fSH2 . 104 . HN . . . fSH2 . 103 . HB* . . rr_1aot 2 96 1 OR . 1 1 101 101 VAL MG1 H . . . 1 1 105 105 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 101 VAL MG1 . . F . 105 HIS H . fSH2 . 101 . HG1* . . . fSH2 . 105 . HN . . rr_1aot 2 96 2 OR . 1 1 33 33 ILE MD H . . . 1 1 105 105 HIS H H . . . . . 0.0 -1.8 5.0 . . . . . F . 33 ILE MD . . F . 105 HIS H . fSH2 . 33 . HD1* . . . fSH2 . 105 . HN . . rr_1aot 2 96 3 OR . 1 1 105 105 HIS H H . . . 1 1 2 2 ILE MD H . . . . . 0.0 -1.8 5.0 . . . . . F . 105 HIS H . . F . 2 ILE MD . fSH2 . 105 . HN . . . fSH2 . 2 . HD1* . . rr_1aot 2 97 1 OR . 1 1 106 106 LYS H H . . . 1 1 105 105 HIS HB3 H . . . . . 0.0 -1.8 3.5 . . . . . F . 106 LYS H . . F . 105 HIS HB3 . fSH2 . 106 . HN . . . fSH2 . 105 . HB1 . . rr_1aot 2 97 2 OR . 1 1 106 106 LYS H H . . . 1 1 105 105 HIS HA H . . . . . 0.0 -1.8 3.5 . . . . . F . 106 LYS H . . F . 105 HIS HA . fSH2 . 106 . HN . . . fSH2 . 105 . HA . . rr_1aot 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; The ambiguous restraints that are commented out have moved into the ordinary restraint list at some point during the caluclations NH-X intensities at 0.2 lev sh2assstp2.mat STRONG 2.7 (>8 contours) MEDIUM 3.5 (4<= contours <= 8) WEAK 5.0 (<4 contours) Residue E1 (201) Residue P2 (202) Residue Q3 (203) Residue pY4 (204) ; 1 1 15 19 rr_1aot 2 2 ; assign (( segid "fSH2" and resid*205 and name ha) or ( segid "fSH2" and resid 38 and name hb )) (( segid "fSH2" and resid 204 and name hn) or (segid "fSH2" and resid*205 and name hn )) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 204 and name hn) or ( segid "fSH2" and resid*205 and name hn )) ( segid "fSH2" and resid*61 and name ha) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 205 and name ha) or ( segid "fSH2" and resid*38 and name hb )) ( segid "fSH2" and resid*204 and name hd*) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 205 and name ha) or ( segid "fSH2" and resid 38 and name hb )) ( segid "fSH2" and resid 204 and name he*) 0.0 1.8 5.0 ; 31 1 41 56 rr_1aot 2 3 ; Residue E5 (205) Residue E6 (206) Residue I7 (207) ; 46 1 50 19 rr_1aot 2 4 ; assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid *207 and name hd1* )) ( segid "fSH2" and resid 61 and name hd* ) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid 207 and name hd1* )) ( segid "fSH2" and resid 73 and name hg2* ) 0.0 1.8 5.0 ; 54 1 58 57 rr_1aot 2 5 ; assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid 207 and name hd1* )) ( segid "fSH2" and resid 74 and name hg2* ) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid *207 and name hd1* )) ( segid "fSH2" and resid 96 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid *207 and name hd1* )) ( segid "fSH2" and resid 97 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid 207 and name hd1* )) ( segid "fSH2" and resid 96 and name hd1* ) 0.0 1.8 3.5 X-filtered NOESY shows CH3 207-75HN Xpk; size of contribution unknown therefore restrain methyls to wtithin 5 A and let stronger restraint including HG2 75 sort out relative contributions ; 63 1 77 50 rr_1aot 2 6 ; Residue P8 (208) Residue I9 (209) ; 89 1 91 20 rr_1aot 2 7 'Residue Y10 (210)' 95 1 95 20 rr_1aot 2 8 'Residue L11 (211)' 99 1 99 20 rr_1aot 2 9 ; Residue S143 (1) Residue I144 (2) Residue Q145 (3) Residue A146 (4) Residue E147 (5) ; 103 1 111 18 rr_1aot 2 10 ; Residue E148 (6) assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*) or ( segid "fSH2" and resid 101 and name hg1* )) ( segid "fSH2" and resid 6 and name hn ) 0.0 1.8 5.0 Residue W149 (7) assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 96 and name hd1* )) ( segid "fSH2" and resid 7 and name he1) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 86 and name hg2*) or ( segid "fSH2" and resid 96 and name hd2* )) ( segid "fSH2" and resid 7 and name he1) 0.0 1.8 5.0 ; 116 1 126 54 rr_1aot 2 11 ; assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 7 and name hd1 ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 7 and name he1 ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 7 and name hz2 ) 0.0 1.8 5.0 ; 131 1 138 55 rr_1aot 2 12 ; Residue Y150 (8) assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*) or ( segid "fSH2" and resid 101 and name hg1* )) ( segid "fSH2" and resid 8 and name hd* ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*) or ( segid "fSH2" and resid 101 and name hg1* )) ( segid "fSH2" and resid 8 and name he* ) 0.0 1.8 3.5 Residue F151 (9) ; 143 1 152 18 rr_1aot 2 13 ; Residue G152 (10) Residue K153 (11) Residue L154 (12) assign (( segid "fSH2" and resid 10 and name ha2) or ( segid "fSH2" and resid 44 and name hb2)) ( segid "fSH2" and resid 12 and name hn ) 0.0 1.8 5.0 ; 156 1 162 55 rr_1aot 2 14 ; Residue G155 (13) Residue R156 (14) assign (( segid "fSH2" and resid 18 and name hg2*) or ( segid "fSH2" and resid 37 and name hb* )) ( segid "fSH2" and resid 14 and name hn) 0.0 1.8 5.0 Residue K157 (15) Residue D158 (16) Residue A159 (17) Residue E160 (18) Residue R161 (19) ; 166 1 180 19 rr_1aot 2 15 ; 3.5 olp Residue Q162 (20) Residue L163 (21) ; 182 55 186 19 rr_1aot 2 16 'Residue L164 (22)' 190 1 190 19 rr_1aot 2 17 'Residue S165 (23)' 197 1 197 19 rr_1aot 2 18 ; assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* )) ( segid "fSH2" and resid 22 and name hn ) 0.0 1.8 5.0 Residue F166 (24) Residue G167 (25) Residue N168 (26) assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* )) ( segid "fSH2" and resid 26 and name hn ) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 21 and name ha ) or (segid "fSH2" and resid 23 and name hb* )) ( segid "fSH2" and resid 26 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 30 and name hg2* ) or ( segid "fSH2" and resid 102 and name hg1* )) ( segid "fSH2" and resid 26 and name hn ) 0.0 1.8 5.0 Residue P169 (27) Residue R170 (28) assign (( segid "fSH2" and resid 45 and name hb* ) or (segid "fSH2" and resid 48 and name hb* )) ( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 48 and name hb* ) or ( segid "fSH2" and resid 49 and name hb2 )) ( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 28 and name ha ) or (segid "fSH2" and resid 30 and name hb )) ( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 27 and name ha ) or (segid "fSH2" and resid 29 and name ha1 )) ( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 3.5 Residue G171 (29) assign (( segid "fSH2" and resid 28 and name ha ) or (segid "fSH2" and resid 30 and name hb )) ( segid "fSH2" and resid 29 and name hn ) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 48 and name hb* ) or ( segid "fSH2" and resid 49 and name hb2 )) ( segid "fSH2" and resid 48 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 27 and name ha ) or (segid "fSH2" and resid 29 and name ha1 )) ( segid "fSH2" and resid 29 and name hn ) 0.0 1.8 3.5 Residue T172 (30) assign (( segid "fSH2" and resid 28 and name hb* ) or (segid "fSH2" and resid 102 and name hb* )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 30 and name hg2* ) or ( segid "fSH2" and resid 102 and name hg1* )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 27 and name hd1 ) or ( segid "fSH2" and resid 104 and name hb1 )) ( segid "fSH2" and resid 30 and name hg1 ) 0.0 1.8 5.0 ; 204 1 257 56 rr_1aot 2 19 ; assign (( segid "fSH2" and resid 27 and name hd2 ) or ( segid "fSH2" and resid 30 and name hb )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 ; 262 1 263 55 rr_1aot 2 20 ; assign (( segid "fSH2" and resid 48 and name hb* ) or ( segid "fSH2" and resid 49 and name hb2 )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 ; 268 1 272 55 rr_1aot 2 21 ; assign (( segid "fSH2" and resid 27 and name ha ) or (segid "fSH2" and resid 29 and name ha1 )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*) or ( segid "fSH2" and resid 101 and name hg1* )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 Residue F173 (31) assign (( segid "fSH2" and resid 21 and name hd* ) or ( segid "fSH2" and resid 22 and name hd2* )) ( segid "fSH2" and resid 31 and name ha ) 0.0 1.8 5.0 ; 277 1 286 55 rr_1aot 2 22 ; assign (( segid "fSH2" and resid 27 and name hd2 ) or ( segid "fSH2" and resid 30 and name hb )) ( segid "fSH2" and resid 31 and name hn ) 0.0 1.8 5.0 Residue L174 (32) assign (( segid "fSH2" and resid 17 and name ha ) or ( segid "fSH2" and resid 104 and name hb2 )) ( segid "fSH2" and resid 32 and name hd2* ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 32 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 9 and name hd*)or ( segid "fSH2" and resid 31 and name hd* )) ( segid "fSH2" and resid 32 and name hn ) 0.0 1.8 5.0 Residue I175 (33) ; 294 1 307 19 rr_1aot 2 23 ; assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*)) ( segid "fSH2" and resid 33 and name hn ) 0.0 1.8 5.0 Residue R176 (34) assign (( segid "fSH2" and resid 63 and name hg12 ) or ( segid "fSH2" and resid 33 and name hg2* )) ( segid "fSH2" and resid 34 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 7 and name hb2 ) or ( segid "fSH2" and resid 43 and name hb2 )) ( segid "fSH2" and resid 34 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*)) ( segid "fSH2" and resid 34 and name hn ) 0.0 1.8 5.0 Residue E177 (35) assign (( segid "fSH2" and resid 8 and name hd* ) or ( segid "fSH2" and resid 43 and name hd* )) ( segid "fSH2" and resid 35 and name hn ) 0.0 1.8 5.0 Residue S178 (36) assign (( segid "fSH2" and resid 37 and name ha ) or ( segid "fSH2" and resid 38 and name ha) or ( segid "fSH2" and resid 38 and name hb )) ( segid "fSH2" and resid 36 and name hb1 ) 0.0 1.8 5.0 ; 311 1 331 56 rr_1aot 2 24 ; assign (( segid "fSH2" and resid 37 and name ha ) or ( segid "fSH2" and resid 38 and name ha ) or ( segid "fSH2" and resid 38 and name hb )) ( segid "fSH2" and resid 36 and name hb2 ) 0.0 1.8 5.0 ; 338 1 340 56 rr_1aot 2 25 ; Residue E179 (37) Residue T180 (38) Residue T181 (39) Residue K182 (40) Residue G183 (41) ; 347 1 355 19 rr_1aot 2 26 'Residue A184 (42)' 359 1 359 19 rr_1aot 2 27 ; Residue Y185 (43) assign (( segid "fSH2" and resid 41 and name ha1 ) or ( segid "fSH2" and resid 35 and name ha )) ( segid "fSH2" and resid 43 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 36 and name hb1 ) or ( segid "fSH2" and resid 44 and name hb1 )) ( segid "fSH2" and resid 43 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 45 and name hd1* ) or ( segid "fSH2" and resid 63 and name hd1* )) ( segid "fSH2" and resid 43 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*)) ( segid "fSH2" and resid 43 and name hd* ) 0.0 1.8 5.0 Residue S186 (44) assign (( segid "fSH2" and resid 45 and name hd1* ) or ( segid "fSH2" and resid 63 and name hd1* )) ( segid "fSH2" and resid 44 and name hn ) 0.0 1.8 5.0 ; 363 1 378 55 rr_1aot 2 28 ; Residue L187 (45) assign (( segid "fSH2" and resid 63 and name hg12 ) or ( segid "fSH2" and resid 33 and name hg2* )) ( segid "fSH2" and resid 45 and name hn ) 0.0 1.8 5.0 ; 386 1 388 55 rr_1aot 2 29 ; assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 45 and name hd2*) 0.0 1.8 5.0 Residue S188 (46) assign (( segid "fSH2" and resid 45 and name hd1*)or ( segid "fSH2" and resid 63 and name hd1*)) ( segid "fSH2" and resid 46 and name hn ) 0.0 1.8 3.5 Residue I189 (47) assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 47 and name hn ) 0.0 1.8 5.0 ; 393 1 402 55 rr_1aot 2 30 ; Residue R190 (48) assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 48 and name ha ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 27 and name hd2 ) or ( segid "fSH2" and resid 30 and name hb )) ( segid "fSH2" and resid 48 and name hn ) 0.0 1.8 5.0 ; 407 1 412 55 rr_1aot 2 31 ; assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* )) ( segid "fSH2" and resid 48 and name hn ) 0.0 1.8 5.0 ; 417 1 418 55 rr_1aot 2 32 'Residue D191 (49)' 423 1 423 19 rr_1aot 2 33 ; assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* )) ( segid "fSH2" and resid 49 and name hn ) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 28 and name ha ) or (segid "fSH2" and resid 30 and name hb )) ( segid "fSH2" and resid 49 and name hn ) 0.0 1.8 5.0 ; 430 1 434 55 rr_1aot 2 34 ; Residue W192 (50) Residue D193 (51) ; 440 1 442 19 rr_1aot 2 35 'Residue D194 (52)' 452 1 452 19 rr_1aot 2 36 'Residue M195 (53)' 459 1 459 19 rr_1aot 2 37 'Residue K196 (54)' 470 1 470 19 rr_1aot 2 38 'Residue G197 (55)' 474 1 474 19 rr_1aot 2 39 ; Residue D198 (56) assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 56 and name hb1 ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 56 and name hb2 ) 0.0 1.8 5.0 Residue H199 (57) assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 57 and name hn ) 0.0 1.8 5.0 ; 484 1 493 55 rr_1aot 2 40 ; Residue V200 (58) assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 58 and name hn ) 0.0 1.8 5.0 ; 501 1 503 55 rr_1aot 2 41 ; m.c. Residue K201 (59) assign (( segid "fSH2" and resid 46 and name hn ) or ( segid "fSH2" and resid 47 and name hn )) ( segid "fSH2" and resid 59 and name hn ) 0.0 1.8 5.0 ; 509 55 513 56 rr_1aot 2 42 ; assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 59 and name hn ) 0.0 1.8 5.0 ; 518 1 519 55 rr_1aot 2 43 ; m.c. Residue H202 (60) ; 522 55 524 19 rr_1aot 2 44 ; Residue Y203 (61) Residue K204 (62) Residue I205 (63) ; 537 1 541 19 rr_1aot 2 45 ; Residue R206 (64) assign (( segid "fSH2" and resid 44 and name ha ) or ( segid "fSH2" and resid 71 and name ha )) ( segid "fSH2" and resid 64 and name hn ) 0.0 1.8 5.0 Residue K207 (65) Residue L208 (66) assign (( segid "fSH2" and resid 69 and name ha2 ) or ( segid "fSH2" and resid 70 and name ha2 )) ( segid "fSH2" and resid 66 and name hn ) 0.0 1.8 5.0 Residue D209 (67) Residue N210 (68) assign (( segid "fSH2" and resid 69 and name ha2 ) or ( segid "fSH2" and resid 70 and name ha2 )) ( segid "fSH2" and resid 68 and name hn ) 0.0 1.8 5.0 Residue G211 (69) ; 545 1 561 19 rr_1aot 2 46 'Residue G212 (70)' 565 1 565 19 rr_1aot 2 47 ; Residue Y213 (71) assign (( segid "fSH2" and resid 63 and name hg2*) or ( segid "fSH2" and resid 85 and name hd1*)) ( segid "fSH2" and resid 71 and name hn ) 0.0 1.8 5.0 ; 569 1 571 56 rr_1aot 2 48 ; 2.7 unable to be satisfied Residue Y214 (72) assign (( segid "fSH2" and resid 63 and name hg2*) or ( segid "fSH2" and resid 85 and name hd1*)) ( segid "fSH2" and resid 72 and name hn ) 0.0 1.8 5.0 ; 578 56 582 56 rr_1aot 2 49 ; assign (( segid "fSH2" and resid 71 and name hb1) or ( segid "fSH2" and resid 72 and name hb2)) ( segid "fSH2" and resid 72 and name hn ) 0.0 1.8 3.5 ; 590 1 591 56 rr_1aot 2 50 ; Residue I215 (73) assign (( segid "fSH2" and resid 63 and name hg2*) or ( segid "fSH2" and resid 85 and name hd1*)) ( segid "fSH2" and resid 73 and name hn ) 0.0 1.8 5.0 Residue T216 (74) Residue T217 (75) Residue R218 (76) Residue A219 (77) Residue Q220 (78) Residue F221 (79) assign (( segid "fSH2" and resid 71 and name hb1) or ( segid "fSH2" and resid 72 and name hb2)) ( segid "fSH2" and resid 79 and name hn ) 0.0 1.8 5.0 ; 598 1 614 56 rr_1aot 2 51 ; assign (( segid "fSH2" and resid 69 and name ha2 ) or ( segid "fSH2" and resid 70 and name ha2 )) ( segid "fSH2" and resid 79 and name hn ) 0.0 1.8 5.0 Residue E222 (80) Residue T223 (81) ; 623 1 628 19 rr_1aot 2 52 ; Residue L224 (82) assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*)) ( segid "fSH2" and resid 82 and name hb* ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*)) ( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 8 and name he* ) or ( segid "fSH2" and resid 43 and name he* )) ( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 5.0 ; 632 1 639 56 rr_1aot 2 53 ; Residue Q225 (83) assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 83 and name ha ) 0.0 1.8 5.0 ; 643 1 645 55 rr_1aot 2 54 ; Residue Q226 (84) assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 84 and name hn ) 0.0 1.8 5.0 Residue L227 (85) ; 650 1 654 19 rr_1aot 2 55 ; assign (( segid "fSH2" and resid 86 and name hn ) or ( segid "fSH2" and resid 87 and name hn )) ( segid "fSH2" and resid 85 and name hd1*) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 86 and name hn ) or ( segid "fSH2" and resid 87 and name hn )) ( segid "fSH2" and resid 85 and name hd2*) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 85 and name hn ) 0.0 1.8 5.0 Residue V228 (86) ; 661 1 670 19 rr_1aot 2 56 'Residue Q229 (87)' 689 1 689 19 rr_1aot 2 57 'Residue H230 (88)' 700 1 700 19 rr_1aot 2 58 ; Residue Y231 (89) assign (( segid "fSH2" and resid 86 and name hd1* ) or ( segid "fSH2" and resid 100 and name hd1* )) ( segid "fSH2" and resid 89 and name hb1 ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 96 and name hd2* ) or ( segid "fSH2" and resid 86 and name hg2* )) ( segid "fSH2" and resid 89 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 89 and name hn ) 0.0 1.8 5.0 ; 710 1 718 55 rr_1aot 2 59 ; Residue S232 (90) assign (( segid "fSH2" and resid 96 and name hd2* ) or ( segid "fSH2" and resid 86 and name hg2* )) ( segid "fSH2" and resid 90 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 90 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 90 and name hb1 ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 90 and name hb2 ) 0.0 1.8 5.0 ; 726 1 737 56 rr_1aot 2 60 ; Residue E233 (91) assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 91 and name hn ) 0.0 1.8 5.0 Residue R234 (92) assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 92 and name hn ) 0.0 1.8 5.0 Residue A235 (93) assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb* )) ( segid "fSH2" and resid 93 and name hn ) 0.0 1.8 2.7 Residue A236 (94) ; 743 1 755 19 rr_1aot 2 61 'Residue G237 (95)' 759 1 759 19 rr_1aot 2 62 ; assign (( segid "fSH2" and resid 207 and name hg1* ) or ( segid "fSH2" and resid 209 and name hg1* )) ( segid "fSH2" and resid 95 and name ha1 ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 207 and name hg1* ) or ( segid "fSH2" and resid 209 and name hg1* )) ( segid "fSH2" and resid 95 and name ha2 ) 0.0 1.8 5.0 Residue L238 (96) ; 763 1 769 19 rr_1aot 2 63 ; Residue S239 (97) assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb* )) ( segid "fSH2" and resid 97 and name hn ) 0.0 1.8 5.0 Residue S240 (98) assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb* )) ( segid "fSH2" and resid 98 and name hn ) 0.0 1.8 5.0 Residue R241 (99) assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb* )) ( segid "fSH2" and resid 99 and name hn ) 0.0 1.8 3.5 Residue L242 (100) assign (( segid "fSH2" and resid 45 and name hd1*) or ( segid "fSH2" and resid 47 and name hd1*)) ( segid "fSH2" and resid 100 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 100 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 100 and name ha ) 0.0 1.8 5.0 ; 776 1 796 56 rr_1aot 2 64 ; assign (( segid "fSH2" and resid 86 and name hn ) or ( segid "fSH2" and resid 87 and name hn )) ( segid "fSH2" and resid 100 and name hd2*) 0.0 1.8 5.0 Residue V243 (101) Residue V244 (102) ; 801 1 806 20 rr_1aot 2 65 ; assign (( segid "fSH2" and resid 9 and name hd*)or ( segid "fSH2" and resid 31 and name hd* )) ( segid "fSH2" and resid 102 and name hn ) 0.0 1.8 5.0 ; 810 1 811 56 rr_1aot 2 66 ; Residue 245 (103) Residue 246 (104) assign (( segid "fSH2" and resid 27 and name hd1 ) or ( segid "fSH2" and resid 104 and name hb1 )) ( segid "fSH2" and resid 104 and name hn ) 0.0 1.8 5.0 ; 816 1 820 56 rr_1aot 2 67 'Residue 247 (105)' 825 1 825 19 rr_1aot 2 68 'Residue 248 (106)' 830 1 830 19 rr_1aot 2 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 3 1 1 "Not handling restraint 1, item 1, resonance(s) 'fSH2.204.HE*' (nmrStar names) not linked" rr_1aot 2 2 3 2 1 "Not handling restraint 2, item 1, resonance(s) 'fSH2.204.HE*' (nmrStar names) not linked" rr_1aot 2 3 3 3 1 "Not handling restraint 3, item 1, resonance(s) 'fSH2.204.HN' (nmrStar names) not linked" rr_1aot 2 4 3 4 1 "Not handling restraint 4, item 1, resonance(s) 'fSH2.204.HB1' (nmrStar names) not linked" rr_1aot 2 5 3 4 1 "Not handling restraint 4, item 1, resonance(s) 'fSH2.204.HN' (nmrStar names),'fSH2.204.HB1' (nmrStar names) not linked" rr_1aot 2 6 3 5 1 "Not handling restraint 5, item 1, resonance(s) 'fSH2.204.HN' (nmrStar names) not linked" rr_1aot 2 7 3 6 1 "Not handling restraint 6, item 1, resonance(s) 'fSH2.204.HD*' (nmrStar names) not linked" rr_1aot 2 8 3 6 1 "Not handling restraint 6, item 1, resonance(s) 'fSH2.204.HN' (nmrStar names),'fSH2.204.HD*' (nmrStar names) not linked" rr_1aot 2 9 3 62 1 "Not handling restraint 62, item 1, resonance(s) 'fSH2.204.HE*' (nmrStar names) not linked" rr_1aot 2 10 3 63 1 "Not handling restraint 63, item 1, resonance(s) 'fSH2.204.HE*' (nmrStar names) not linked" rr_1aot 2 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID rr_1aot _Gen_dist_constraint_list.ID 3 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1aot 3 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 9 9 PHE H H . . . 1 1 33 33 ILE O O . . . . . 0.0 -1.5 2.3 . . . . . F . 9 PHE H . . F . 33 ILE O . fSH2 . 9 . HN . . . fSH2 . 33 . O . . rr_1aot 3 2 1 . . 1 1 33 33 ILE O O . . . 1 1 9 9 PHE N N . . . . . 0.0 -2.3 3.3 . . . . . F . 33 ILE O . . F . 9 PHE N . fSH2 . 33 . O . . . fSH2 . 9 . N . . rr_1aot 3 3 1 . . 1 1 18 18 GLU H H . . . 1 1 14 14 ARG O O . . . . . 0.0 -1.5 2.3 . . . . . F . 18 GLU H . . F . 14 ARG O . fSH2 . 18 . HN . . . fSH2 . 14 . O . . rr_1aot 3 4 1 . . 1 1 14 14 ARG O O . . . 1 1 18 18 GLU N N . . . . . 0.0 -2.3 3.3 . . . . . F . 14 ARG O . . F . 18 GLU N . fSH2 . 14 . O . . . fSH2 . 18 . N . . rr_1aot 3 5 1 . . 1 1 19 19 ARG H H . . . 1 1 15 15 LYS O O . . . . . 0.0 -1.5 2.3 . . . . . F . 19 ARG H . . F . 15 LYS O . fSH2 . 19 . HN . . . fSH2 . 15 . O . . rr_1aot 3 6 1 . . 1 1 15 15 LYS O O . . . 1 1 19 19 ARG N N . . . . . 0.0 -2.3 3.3 . . . . . F . 15 LYS O . . F . 19 ARG N . fSH2 . 15 . O . . . fSH2 . 19 . N . . rr_1aot 3 7 1 . . 1 1 20 20 GLN H H . . . 1 1 16 16 ASP O O . . . . . 0.0 -1.5 2.3 . . . . . F . 20 GLN H . . F . 16 ASP O . fSH2 . 20 . HN . . . fSH2 . 16 . O . . rr_1aot 3 8 1 . . 1 1 16 16 ASP O O . . . 1 1 20 20 GLN N N . . . . . 0.0 -2.3 3.3 . . . . . F . 16 ASP O . . F . 20 GLN N . fSH2 . 16 . O . . . fSH2 . 20 . N . . rr_1aot 3 9 1 . . 1 1 21 21 LEU H H . . . 1 1 17 17 ALA O O . . . . . 0.0 -1.5 2.3 . . . . . F . 21 LEU H . . F . 17 ALA O . fSH2 . 21 . HN . . . fSH2 . 17 . O . . rr_1aot 3 10 1 . . 1 1 17 17 ALA O O . . . 1 1 21 21 LEU N N . . . . . 0.0 -2.3 3.3 . . . . . F . 17 ALA O . . F . 21 LEU N . fSH2 . 17 . O . . . fSH2 . 21 . N . . rr_1aot 3 11 1 . . 1 1 22 22 LEU H H . . . 1 1 18 18 GLU O O . . . . . 0.0 -1.5 2.3 . . . . . F . 22 LEU H . . F . 18 GLU O . fSH2 . 22 . HN . . . fSH2 . 18 . O . . rr_1aot 3 12 1 . . 1 1 18 18 GLU O O . . . 1 1 22 22 LEU N N . . . . . 0.0 -2.3 3.3 . . . . . F . 18 GLU O . . F . 22 LEU N . fSH2 . 18 . O . . . fSH2 . 22 . N . . rr_1aot 3 13 1 . . 1 1 23 23 SER H H . . . 1 1 19 19 ARG O O . . . . . 0.0 -1.5 2.3 . . . . . F . 23 SER H . . F . 19 ARG O . fSH2 . 23 . HN . . . fSH2 . 19 . O . . rr_1aot 3 14 1 . . 1 1 19 19 ARG O O . . . 1 1 23 23 SER N N . . . . . 0.0 -2.3 3.3 . . . . . F . 19 ARG O . . F . 23 SER N . fSH2 . 19 . O . . . fSH2 . 23 . N . . rr_1aot 3 15 1 . . 1 1 32 32 LEU H H . . . 1 1 46 46 SER O O . . . . . 0.0 -1.5 2.3 . . . . . F . 32 LEU H . . F . 46 SER O . fSH2 . 32 . HN . . . fSH2 . 46 . O . . rr_1aot 3 16 1 . . 1 1 46 46 SER O O . . . 1 1 32 32 LEU N N . . . . . 0.0 -2.3 3.3 . . . . . F . 46 SER O . . F . 32 LEU N . fSH2 . 46 . O . . . fSH2 . 32 . N . . rr_1aot 3 17 1 . . 1 1 34 34 ARG H H . . . 1 1 44 44 SER O O . . . . . 0.0 -1.5 2.3 . . . . . F . 34 ARG H . . F . 44 SER O . fSH2 . 34 . HN . . . fSH2 . 44 . O . . rr_1aot 3 18 1 . . 1 1 44 44 SER O O . . . 1 1 34 34 ARG N N . . . . . 0.0 -2.3 3.3 . . . . . F . 44 SER O . . F . 34 ARG N . fSH2 . 44 . O . . . fSH2 . 34 . N . . rr_1aot 3 19 1 . . 1 1 35 35 GLU H H . . . 1 1 10 10 GLY O O . . . . . 0.0 -1.5 2.3 . . . . . F . 35 GLU H . . F . 10 GLY O . fSH2 . 35 . HN . . . fSH2 . 10 . O . . rr_1aot 3 20 1 . . 1 1 10 10 GLY O O . . . 1 1 35 35 GLU N N . . . . . 0.0 -2.3 3.3 . . . . . F . 10 GLY O . . F . 35 GLU N . fSH2 . 10 . O . . . fSH2 . 35 . N . . rr_1aot 3 21 1 . . 1 1 36 36 SER H H . . . 1 1 42 42 ALA O O . . . . . 0.0 -1.5 2.3 . . . . . F . 36 SER H . . F . 42 ALA O . fSH2 . 36 . HN . . . fSH2 . 42 . O . . rr_1aot 3 22 1 . . 1 1 42 42 ALA O O . . . 1 1 36 36 SER N N . . . . . 0.0 -2.3 3.3 . . . . . F . 42 ALA O . . F . 36 SER N . fSH2 . 42 . O . . . fSH2 . 36 . N . . rr_1aot 3 23 1 . . 1 1 45 45 LEU H H . . . 1 1 61 61 TYR O O . . . . . 0.0 -1.5 2.3 . . . . . F . 45 LEU H . . F . 61 TYR O . fSH2 . 45 . HN . . . fSH2 . 61 . O . . rr_1aot 3 24 1 . . 1 1 61 61 TYR O O . . . 1 1 45 45 LEU N N . . . . . 0.0 -2.3 3.3 . . . . . F . 61 TYR O . . F . 45 LEU N . fSH2 . 61 . O . . . fSH2 . 45 . N . . rr_1aot 3 25 1 . . 1 1 47 47 ILE H H . . . 1 1 59 59 LYS O O . . . . . 0.0 -1.5 2.3 . . . . . F . 47 ILE H . . F . 59 LYS O . fSH2 . 47 . HN . . . fSH2 . 59 . O . . rr_1aot 3 26 1 . . 1 1 59 59 LYS O O . . . 1 1 47 47 ILE N N . . . . . 0.0 -2.3 3.3 . . . . . F . 59 LYS O . . F . 47 ILE N . fSH2 . 59 . O . . . fSH2 . 47 . N . . rr_1aot 3 27 1 . . 1 1 48 48 ARG H H . . . 1 1 30 30 THR O O . . . . . 0.0 -1.5 2.3 . . . . . F . 48 ARG H . . F . 30 THR O . fSH2 . 48 . HN . . . fSH2 . 30 . O . . rr_1aot 3 28 1 . . 1 1 30 30 THR O O . . . 1 1 48 48 ARG N N . . . . . 0.0 -2.3 3.3 . . . . . F . 30 THR O . . F . 48 ARG N . fSH2 . 30 . O . . . fSH2 . 48 . N . . rr_1aot 3 29 1 . . 1 1 49 49 ASP H H . . . 1 1 57 57 HIS O O . . . . . 0.0 -1.5 2.3 . . . . . F . 49 ASP H . . F . 57 HIS O . fSH2 . 49 . HN . . . fSH2 . 57 . O . . rr_1aot 3 30 1 . . 1 1 57 57 HIS O O . . . 1 1 49 49 ASP N N . . . . . 0.0 -2.3 3.3 . . . . . F . 57 HIS O . . F . 49 ASP N . fSH2 . 57 . O . . . fSH2 . 49 . N . . rr_1aot 3 31 1 . . 1 1 51 51 ASP H H . . . 1 1 55 55 GLY O O . . . . . 0.0 -1.5 2.3 . . . . . F . 51 ASP H . . F . 55 GLY O . fSH2 . 51 . HN . . . fSH2 . 55 . O . . rr_1aot 3 32 1 . . 1 1 55 55 GLY O O . . . 1 1 51 51 ASP N N . . . . . 0.0 -2.3 3.3 . . . . . F . 55 GLY O . . F . 51 ASP N . fSH2 . 55 . O . . . fSH2 . 51 . N . . rr_1aot 3 33 1 . . 1 1 59 59 LYS H H . . . 1 1 47 47 ILE O O . . . . . 0.0 -1.5 2.3 . . . . . F . 59 LYS H . . F . 47 ILE O . fSH2 . 59 . HN . . . fSH2 . 47 . O . . rr_1aot 3 34 1 . . 1 1 47 47 ILE O O . . . 1 1 59 59 LYS N N . . . . . 0.0 -2.3 3.3 . . . . . F . 47 ILE O . . F . 59 LYS N . fSH2 . 47 . O . . . fSH2 . 59 . N . . rr_1aot 3 35 1 . . 1 1 61 61 TYR H H . . . 1 1 45 45 LEU O O . . . . . 0.0 -1.5 2.3 . . . . . F . 61 TYR H . . F . 45 LEU O . fSH2 . 61 . HN . . . fSH2 . 45 . O . . rr_1aot 3 36 1 . . 1 1 45 45 LEU O O . . . 1 1 61 61 TYR N N . . . . . 0.0 -2.3 3.3 . . . . . F . 45 LEU O . . F . 61 TYR N . fSH2 . 45 . O . . . fSH2 . 61 . N . . rr_1aot 3 37 1 . . 1 1 63 63 ILE H H . . . 1 1 43 43 TYR O O . . . . . 0.0 -1.5 2.3 . . . . . F . 63 ILE H . . F . 43 TYR O . fSH2 . 63 . HN . . . fSH2 . 43 . O . . rr_1aot 3 38 1 . . 1 1 43 43 TYR O O . . . 1 1 63 63 ILE N N . . . . . 0.0 -2.3 3.3 . . . . . F . 43 TYR O . . F . 63 ILE N . fSH2 . 43 . O . . . fSH2 . 63 . N . . rr_1aot 3 39 1 . . 1 1 64 64 ARG H H . . . 1 1 72 72 TYR O O . . . . . 0.0 -1.5 2.3 . . . . . F . 64 ARG H . . F . 72 TYR O . fSH2 . 64 . HN . . . fSH2 . 72 . O . . rr_1aot 3 40 1 . . 1 1 72 72 TYR O O . . . 1 1 64 64 ARG N N . . . . . 0.0 -2.3 3.3 . . . . . F . 72 TYR O . . F . 64 ARG N . fSH2 . 72 . O . . . fSH2 . 64 . N . . rr_1aot 3 41 1 . . 1 1 66 66 LEU H H . . . 1 1 70 70 GLY O O . . . . . 0.0 -1.5 2.3 . . . . . F . 66 LEU H . . F . 70 GLY O . fSH2 . 66 . HN . . . fSH2 . 70 . O . . rr_1aot 3 42 1 . . 1 1 70 70 GLY O O . . . 1 1 66 66 LEU N N . . . . . 0.0 -2.3 3.3 . . . . . F . 70 GLY O . . F . 66 LEU N . fSH2 . 70 . O . . . fSH2 . 66 . N . . rr_1aot 3 43 1 . . 1 1 71 71 TYR H H . . . 1 1 79 79 PHE O O . . . . . 0.0 -1.5 2.3 . . . . . F . 71 TYR H . . F . 79 PHE O . fSH2 . 71 . HN . . . fSH2 . 79 . O . . rr_1aot 3 44 1 . . 1 1 79 79 PHE O O . . . 1 1 71 71 TYR N N . . . . . 0.0 -2.3 3.3 . . . . . F . 79 PHE O . . F . 71 TYR N . fSH2 . 79 . O . . . fSH2 . 71 . N . . rr_1aot 3 45 1 . . 1 1 72 72 TYR H H . . . 1 1 64 64 ARG O O . . . . . 0.0 -1.5 2.3 . . . . . F . 72 TYR H . . F . 64 ARG O . fSH2 . 72 . HN . . . fSH2 . 64 . O . . rr_1aot 3 46 1 . . 1 1 64 64 ARG O O . . . 1 1 72 72 TYR N N . . . . . 0.0 -2.3 3.3 . . . . . F . 64 ARG O . . F . 72 TYR N . fSH2 . 64 . O . . . fSH2 . 72 . N . . rr_1aot 3 47 1 . . 1 1 77 77 ALA H H . . . 1 1 74 74 THR O O . . . . . 0.0 -1.5 2.3 . . . . . F . 77 ALA H . . F . 74 THR O . fSH2 . 77 . HN . . . fSH2 . 74 . O . . rr_1aot 3 48 1 . . 1 1 74 74 THR O O . . . 1 1 77 77 ALA N N . . . . . 0.0 -2.3 3.3 . . . . . F . 74 THR O . . F . 77 ALA N . fSH2 . 74 . O . . . fSH2 . 77 . N . . rr_1aot 3 49 1 . . 1 1 79 79 PHE H H . . . 1 1 71 71 TYR O O . . . . . 0.0 -1.5 2.3 . . . . . F . 79 PHE H . . F . 71 TYR O . fSH2 . 79 . HN . . . fSH2 . 71 . O . . rr_1aot 3 50 1 . . 1 1 71 71 TYR O O . . . 1 1 79 79 PHE N N . . . . . 0.0 -2.3 3.3 . . . . . F . 71 TYR O . . F . 79 PHE N . fSH2 . 71 . O . . . fSH2 . 79 . N . . rr_1aot 3 51 1 . . 1 1 85 85 LEU H H . . . 1 1 81 81 THR O O . . . . . 0.0 -1.5 2.3 . . . . . F . 85 LEU H . . F . 81 THR O . fSH2 . 85 . HN . . . fSH2 . 81 . O . . rr_1aot 3 52 1 . . 1 1 81 81 THR O O . . . 1 1 85 85 LEU N N . . . . . 0.0 -2.3 3.3 . . . . . F . 81 THR O . . F . 85 LEU N . fSH2 . 81 . O . . . fSH2 . 85 . N . . rr_1aot 3 53 1 . . 1 1 86 86 VAL H H . . . 1 1 82 82 LEU O O . . . . . 0.0 -1.5 2.3 . . . . . F . 86 VAL H . . F . 82 LEU O . fSH2 . 86 . HN . . . fSH2 . 82 . O . . rr_1aot 3 54 1 . . 1 1 82 82 LEU O O . . . 1 1 86 86 VAL N N . . . . . 0.0 -2.3 3.3 . . . . . F . 82 LEU O . . F . 86 VAL N . fSH2 . 82 . O . . . fSH2 . 86 . N . . rr_1aot 3 55 1 . . 1 1 87 87 GLN H H . . . 1 1 83 83 GLN O O . . . . . 0.0 -1.5 2.3 . . . . . F . 87 GLN H . . F . 83 GLN O . fSH2 . 87 . HN . . . fSH2 . 83 . O . . rr_1aot 3 56 1 . . 1 1 83 83 GLN O O . . . 1 1 87 87 GLN N N . . . . . 0.0 -2.3 3.3 . . . . . F . 83 GLN O . . F . 87 GLN N . fSH2 . 83 . O . . . fSH2 . 87 . N . . rr_1aot 3 57 1 . . 1 1 88 88 HIS H H . . . 1 1 84 84 GLN O O . . . . . 0.0 -1.5 2.3 . . . . . F . 88 HIS H . . F . 84 GLN O . fSH2 . 88 . HN . . . fSH2 . 84 . O . . rr_1aot 3 58 1 . . 1 1 84 84 GLN O O . . . 1 1 88 88 HIS N N . . . . . 0.0 -2.3 3.3 . . . . . F . 84 GLN O . . F . 88 HIS N . fSH2 . 84 . O . . . fSH2 . 88 . N . . rr_1aot 3 59 1 . . 1 1 89 89 TYR H H . . . 1 1 85 85 LEU O O . . . . . 0.0 -1.5 2.3 . . . . . F . 89 TYR H . . F . 85 LEU O . fSH2 . 89 . HN . . . fSH2 . 85 . O . . rr_1aot 3 60 1 . . 1 1 85 85 LEU O O . . . 1 1 89 89 TYR N N . . . . . 0.0 -2.3 3.3 . . . . . F . 85 LEU O . . F . 89 TYR N . fSH2 . 85 . O . . . fSH2 . 89 . N . . rr_1aot 3 61 1 . . 1 1 90 90 SER H H . . . 1 1 86 86 VAL O O . . . . . 0.0 -1.5 2.3 . . . . . F . 90 SER H . . F . 86 VAL O . fSH2 . 90 . HN . . . fSH2 . 86 . O . . rr_1aot 3 62 1 . . 1 1 86 86 VAL O O . . . 1 1 90 90 SER N N . . . . . 0.0 -2.3 3.3 . . . . . F . 86 VAL O . . F . 90 SER N . fSH2 . 86 . O . . . fSH2 . 90 . N . . rr_1aot 3 63 1 . . 1 1 92 92 ARG H H . . . 1 1 88 88 HIS O O . . . . . 0.0 -1.5 2.3 . . . . . F . 92 ARG H . . F . 88 HIS O . fSH2 . 92 . HN . . . fSH2 . 88 . O . . rr_1aot 3 64 1 . . 1 1 88 88 HIS O O . . . 1 1 92 92 ARG N N . . . . . 0.0 -2.3 3.3 . . . . . F . 88 HIS O . . F . 92 ARG N . fSH2 . 88 . O . . . fSH2 . 92 . N . . rr_1aot 3 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; HYDROGEN BOND NOES bA Residue 151F (9) - Residue 175I (33) (100% unrestrained) ; 1 1 5 58 rr_1aot 3 2 ; AA loop aA Residue 160E (18) - Residue 156R (14) ; 9 1 13 39 rr_1aot 3 3 'Residue 161R (19) - Residue 157K (15)' 17 1 17 39 rr_1aot 3 4 'Residue 162Q (20) - Residue 158D (16)' 21 1 21 39 rr_1aot 3 5 'Residue 163L (21) - Residue 159A (17)' 25 1 25 39 rr_1aot 3 6 'Residue 164L (22) - Residue 160E (18)' 29 1 29 39 rr_1aot 3 7 'Residue 165S (23) - Residue 161R (19)' 33 1 33 39 rr_1aot 3 8 ; bB Residue 174L (32) - Residue 188S (46) (60% second round of hbonds & no other acceptor) ; 37 1 39 88 rr_1aot 3 9 'Residue 176R (34) - Residue 186S (44) (70% unrestrained)' 43 1 43 58 rr_1aot 3 10 'Residue 177E (35) - Residue 152G (10) (70% unrestrained)' 47 1 47 58 rr_1aot 3 11 'Residue 178S (36) - Residue 184A (42) (100% unrestrained)' 51 1 51 59 rr_1aot 3 12 ; BC loop bC Residue 187L (45) - Residue 203Y (61) (90% unrestrained) ; 55 1 59 58 rr_1aot 3 13 'Residue 189I (47) - Residue 201K (59) (80% unrestrained)' 63 1 63 58 rr_1aot 3 14 'Residue 190R (48) - Residue 172T (30) (60% in third round of hbonds)' 67 1 67 70 rr_1aot 3 15 'Residue 191D (49) - Residue 199H (57) (90% unrestrained)' 71 1 71 58 rr_1aot 3 16 ; CD loop Residue 193D (51) - Residue 197G (55) (70% unrestrained) ; 75 1 77 58 rr_1aot 3 17 ; bD Residue 201K (59) - Residue 189I (47) (100% unrestrained) ; 81 1 83 59 rr_1aot 3 18 'Residue 203Y (61) - Residue 187L (45) (90% unrestrained)' 87 1 87 58 rr_1aot 3 19 'Residue 205I (63) - Residue Y185 (43) (100% unrestrained)' 91 1 91 59 rr_1aot 3 20 'Residue 206R (64) - Residue 214Y (72) (60% unrestrained)' 95 1 95 58 rr_1aot 3 21 'Residue 208L (66) - Residue 212G (70) (90% unrestrained)' 99 1 99 58 rr_1aot 3 22 ; bE Residue 213Y (71) - Residue 221F (79) (100% unrestrained) ; 103 1 105 59 rr_1aot 3 23 'Residue 214Y (72) - Residue 206R (64) (80% in second round of hbonds)' 109 1 109 71 rr_1aot 3 24 ; bF Residue 219A (77) - Residue 216T (74) (100% unrestrained) ; 113 1 115 59 rr_1aot 3 25 'Residue 221F (79) - Residue 213Y (71) (60% fourth round of hbonds)' 119 1 119 68 rr_1aot 3 26 ; FB loop aB Residue 227L (85) - Residue 223T (81) ; 123 1 127 39 rr_1aot 3 27 'Residue 228V (86) - Residue 224L (82)' 131 1 131 39 rr_1aot 3 28 'Residue 229E (87) - Residue 225Q (83)' 135 1 135 39 rr_1aot 3 29 'Residue 230H (88) - Residue 226Q (84)' 139 1 139 39 rr_1aot 3 30 'Residue 231E (89) - Residue 227 (85)' 143 1 143 38 rr_1aot 3 31 'Residue 232S (90) - Residue 228V (86)' 147 1 147 39 rr_1aot 3 32 'Residue 234R (92) - Residue 230H (88)' 151 1 151 39 rr_1aot 3 33 bG 155 1 155 4 rr_1aot 3 stop_ save_ save_CNS/XPLOR_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_5 _Torsion_angle_constraint_list.Entry_ID rr_1aot _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_1aot 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 1 1 SER C C . . 1 1 2 2 ILE N N . . 1 1 2 2 ILE CA C . . 1 1 2 2 ILE C C . -90.0 -30.0 . . . F . 1 SER C . . F . 2 ILE N . . F . 2 ILE CA . . F . 2 ILE C . fSH2 . 1 . C . . . fSH2 . 2 . N . . . fSH2 . 2 . CA . . . fSH2 . 2 . C . . rr_1aot 1 2 . . 1 1 2 2 ILE C C . . 1 1 3 3 GLN N N . . 1 1 3 3 GLN CA C . . 1 1 3 3 GLN C C . -90.0 -30.0 . . . F . 2 ILE C . . F . 3 GLN N . . F . 3 GLN CA . . F . 3 GLN C . fSH2 . 2 . C . . . fSH2 . 3 . N . . . fSH2 . 3 . CA . . . fSH2 . 3 . C . . rr_1aot 1 3 . . 1 1 13 13 GLY C C . . 1 1 14 14 ARG N N . . 1 1 14 14 ARG CA C . . 1 1 14 14 ARG C C . -90.0 -30.0 . . . F . 13 GLY C . . F . 14 ARG N . . F . 14 ARG CA . . F . 14 ARG C . fSH2 . 13 . C . . . fSH2 . 14 . N . . . fSH2 . 14 . CA . . . fSH2 . 14 . C . . rr_1aot 1 4 . . 1 1 14 14 ARG C C . . 1 1 15 15 LYS N N . . 1 1 15 15 LYS CA C . . 1 1 15 15 LYS C C . -90.0 -30.0 . . . F . 14 ARG C . . F . 15 LYS N . . F . 15 LYS CA . . F . 15 LYS C . fSH2 . 14 . C . . . fSH2 . 15 . N . . . fSH2 . 15 . CA . . . fSH2 . 15 . C . . rr_1aot 1 5 . . 1 1 15 15 LYS C C . . 1 1 16 16 ASP N N . . 1 1 16 16 ASP CA C . . 1 1 16 16 ASP C C . -90.0 -30.0 . . . F . 15 LYS C . . F . 16 ASP N . . F . 16 ASP CA . . F . 16 ASP C . fSH2 . 15 . C . . . fSH2 . 16 . N . . . fSH2 . 16 . CA . . . fSH2 . 16 . C . . rr_1aot 1 6 . . 1 1 16 16 ASP C C . . 1 1 17 17 ALA N N . . 1 1 17 17 ALA CA C . . 1 1 17 17 ALA C C . -90.0 -30.0 . . . F . 16 ASP C . . F . 17 ALA N . . F . 17 ALA CA . . F . 17 ALA C . fSH2 . 16 . C . . . fSH2 . 17 . N . . . fSH2 . 17 . CA . . . fSH2 . 17 . C . . rr_1aot 1 7 . . 1 1 17 17 ALA C C . . 1 1 18 18 GLU N N . . 1 1 18 18 GLU CA C . . 1 1 18 18 GLU C C . -100.0 -20.0 . . . F . 17 ALA C . . F . 18 GLU N . . F . 18 GLU CA . . F . 18 GLU C . fSH2 . 17 . C . . . fSH2 . 18 . N . . . fSH2 . 18 . CA . . . fSH2 . 18 . C . . rr_1aot 1 8 . . 1 1 18 18 GLU C C . . 1 1 19 19 ARG N N . . 1 1 19 19 ARG CA C . . 1 1 19 19 ARG C C . -90.0 -30.0 . . . F . 18 GLU C . . F . 19 ARG N . . F . 19 ARG CA . . F . 19 ARG C . fSH2 . 18 . C . . . fSH2 . 19 . N . . . fSH2 . 19 . CA . . . fSH2 . 19 . C . . rr_1aot 1 9 . . 1 1 19 19 ARG C C . . 1 1 20 20 GLN N N . . 1 1 20 20 GLN CA C . . 1 1 20 20 GLN C C . -90.0 -30.0 . . . F . 19 ARG C . . F . 20 GLN N . . F . 20 GLN CA . . F . 20 GLN C . fSH2 . 19 . C . . . fSH2 . 20 . N . . . fSH2 . 20 . CA . . . fSH2 . 20 . C . . rr_1aot 1 10 . . 1 1 20 20 GLN C C . . 1 1 21 21 LEU N N . . 1 1 21 21 LEU CA C . . 1 1 21 21 LEU C C . -100.0 -20.0 . . . F . 20 GLN C . . F . 21 LEU N . . F . 21 LEU CA . . F . 21 LEU C . fSH2 . 20 . C . . . fSH2 . 21 . N . . . fSH2 . 21 . CA . . . fSH2 . 21 . C . . rr_1aot 1 11 . . 1 1 27 27 PRO C C . . 1 1 28 28 ARG N N . . 1 1 28 28 ARG CA C . . 1 1 28 28 ARG C C . -90.0 -30.0 . . . F . 27 PRO C . . F . 28 ARG N . . F . 28 ARG CA . . F . 28 ARG C . fSH2 . 27 . C . . . fSH2 . 28 . N . . . fSH2 . 28 . CA . . . fSH2 . 28 . C . . rr_1aot 1 12 . . 1 1 29 29 GLY C C . . 1 1 30 30 THR N N . . 1 1 30 30 THR CA C . . 1 1 30 30 THR C C . -100.0 -20.0 . . . F . 29 GLY C . . F . 30 THR N . . F . 30 THR CA . . F . 30 THR C . fSH2 . 29 . C . . . fSH2 . 30 . N . . . fSH2 . 30 . CA . . . fSH2 . 30 . C . . rr_1aot 1 13 . . 1 1 32 32 LEU C C . . 1 1 33 33 ILE N N . . 1 1 33 33 ILE CA C . . 1 1 33 33 ILE C C . -160.0 -80.0 . . . F . 32 LEU C . . F . 33 ILE N . . F . 33 ILE CA . . F . 33 ILE C . fSH2 . 32 . C . . . fSH2 . 33 . N . . . fSH2 . 33 . CA . . . fSH2 . 33 . C . . rr_1aot 1 14 . . 1 1 39 39 THR C C . . 1 1 40 40 LYS N N . . 1 1 40 40 LYS CA C . . 1 1 40 40 LYS C C . -90.0 -30.0 . . . F . 39 THR C . . F . 40 LYS N . . F . 40 LYS CA . . F . 40 LYS C . fSH2 . 39 . C . . . fSH2 . 40 . N . . . fSH2 . 40 . CA . . . fSH2 . 40 . C . . rr_1aot 1 15 . . 1 1 41 41 GLY C C . . 1 1 42 42 ALA N N . . 1 1 42 42 ALA CA C . . 1 1 42 42 ALA C C . -160.0 -80.0 . . . F . 41 GLY C . . F . 42 ALA N . . F . 42 ALA CA . . F . 42 ALA C . fSH2 . 41 . C . . . fSH2 . 42 . N . . . fSH2 . 42 . CA . . . fSH2 . 42 . C . . rr_1aot 1 16 . . 1 1 42 42 ALA C C . . 1 1 43 43 TYR N N . . 1 1 43 43 TYR CA C . . 1 1 43 43 TYR C C . -160.0 -80.0 . . . F . 42 ALA C . . F . 43 TYR N . . F . 43 TYR CA . . F . 43 TYR C . fSH2 . 42 . C . . . fSH2 . 43 . N . . . fSH2 . 43 . CA . . . fSH2 . 43 . C . . rr_1aot 1 17 . . 1 1 43 43 TYR C C . . 1 1 44 44 SER N N . . 1 1 44 44 SER CA C . . 1 1 44 44 SER C C . -160.0 -80.0 . . . F . 43 TYR C . . F . 44 SER N . . F . 44 SER CA . . F . 44 SER C . fSH2 . 43 . C . . . fSH2 . 44 . N . . . fSH2 . 44 . CA . . . fSH2 . 44 . C . . rr_1aot 1 18 . . 1 1 48 48 ARG C C . . 1 1 49 49 ASP N N . . 1 1 49 49 ASP CA C . . 1 1 49 49 ASP C C . -160.0 -80.0 . . . F . 48 ARG C . . F . 49 ASP N . . F . 49 ASP CA . . F . 49 ASP C . fSH2 . 48 . C . . . fSH2 . 49 . N . . . fSH2 . 49 . CA . . . fSH2 . 49 . C . . rr_1aot 1 19 . . 1 1 51 51 ASP C C . . 1 1 52 52 ASP N N . . 1 1 52 52 ASP CA C . . 1 1 52 52 ASP C C . -100.0 -20.0 . . . F . 51 ASP C . . F . 52 ASP N . . F . 52 ASP CA . . F . 52 ASP C . fSH2 . 51 . C . . . fSH2 . 52 . N . . . fSH2 . 52 . CA . . . fSH2 . 52 . C . . rr_1aot 1 20 . . 1 1 52 52 ASP C C . . 1 1 53 53 MET N N . . 1 1 53 53 MET CA C . . 1 1 53 53 MET C C . -160.0 -80.0 . . . F . 52 ASP C . . F . 53 MET N . . F . 53 MET CA . . F . 53 MET C . fSH2 . 52 . C . . . fSH2 . 53 . N . . . fSH2 . 53 . CA . . . fSH2 . 53 . C . . rr_1aot 1 21 . . 1 1 55 55 GLY C C . . 1 1 56 56 ASP N N . . 1 1 56 56 ASP CA C . . 1 1 56 56 ASP C C . -90.0 -30.0 . . . F . 55 GLY C . . F . 56 ASP N . . F . 56 ASP CA . . F . 56 ASP C . fSH2 . 55 . C . . . fSH2 . 56 . N . . . fSH2 . 56 . CA . . . fSH2 . 56 . C . . rr_1aot 1 22 . . 1 1 57 57 HIS C C . . 1 1 58 58 VAL N N . . 1 1 58 58 VAL CA C . . 1 1 58 58 VAL C C . -160.0 -80.0 . . . F . 57 HIS C . . F . 58 VAL N . . F . 58 VAL CA . . F . 58 VAL C . fSH2 . 57 . C . . . fSH2 . 58 . N . . . fSH2 . 58 . CA . . . fSH2 . 58 . C . . rr_1aot 1 23 . . 1 1 58 58 VAL C C . . 1 1 59 59 LYS N N . . 1 1 59 59 LYS CA C . . 1 1 59 59 LYS C C . -160.0 -80.0 . . . F . 58 VAL C . . F . 59 LYS N . . F . 59 LYS CA . . F . 59 LYS C . fSH2 . 58 . C . . . fSH2 . 59 . N . . . fSH2 . 59 . CA . . . fSH2 . 59 . C . . rr_1aot 1 24 . . 1 1 59 59 LYS C C . . 1 1 60 60 HIS N N . . 1 1 60 60 HIS CA C . . 1 1 60 60 HIS C C . -160.0 -80.0 . . . F . 59 LYS C . . F . 60 HIS N . . F . 60 HIS CA . . F . 60 HIS C . fSH2 . 59 . C . . . fSH2 . 60 . N . . . fSH2 . 60 . CA . . . fSH2 . 60 . C . . rr_1aot 1 25 . . 1 1 60 60 HIS C C . . 1 1 61 61 TYR N N . . 1 1 61 61 TYR CA C . . 1 1 61 61 TYR C C . -160.0 -80.0 . . . F . 60 HIS C . . F . 61 TYR N . . F . 61 TYR CA . . F . 61 TYR C . fSH2 . 60 . C . . . fSH2 . 61 . N . . . fSH2 . 61 . CA . . . fSH2 . 61 . C . . rr_1aot 1 26 . . 1 1 62 62 LYS C C . . 1 1 63 63 ILE N N . . 1 1 63 63 ILE CA C . . 1 1 63 63 ILE C C . -160.0 -80.0 . . . F . 62 LYS C . . F . 63 ILE N . . F . 63 ILE CA . . F . 63 ILE C . fSH2 . 62 . C . . . fSH2 . 63 . N . . . fSH2 . 63 . CA . . . fSH2 . 63 . C . . rr_1aot 1 27 . . 1 1 64 64 ARG C C . . 1 1 65 65 LYS N N . . 1 1 65 65 LYS CA C . . 1 1 65 65 LYS C C . -160.0 -80.0 . . . F . 64 ARG C . . F . 65 LYS N . . F . 65 LYS CA . . F . 65 LYS C . fSH2 . 64 . C . . . fSH2 . 65 . N . . . fSH2 . 65 . CA . . . fSH2 . 65 . C . . rr_1aot 1 28 . . 1 1 66 66 LEU C C . . 1 1 67 67 ASP N N . . 1 1 67 67 ASP CA C . . 1 1 67 67 ASP C C . -90.0 -30.0 . . . F . 66 LEU C . . F . 67 ASP N . . F . 67 ASP CA . . F . 67 ASP C . fSH2 . 66 . C . . . fSH2 . 67 . N . . . fSH2 . 67 . CA . . . fSH2 . 67 . C . . rr_1aot 1 29 . . 1 1 77 77 ALA C C . . 1 1 78 78 GLN N N . . 1 1 78 78 GLN CA C . . 1 1 78 78 GLN C C . -160.0 -80.0 . . . F . 77 ALA C . . F . 78 GLN N . . F . 78 GLN CA . . F . 78 GLN C . fSH2 . 77 . C . . . fSH2 . 78 . N . . . fSH2 . 78 . CA . . . fSH2 . 78 . C . . rr_1aot 1 30 . . 1 1 78 78 GLN C C . . 1 1 79 79 PHE N N . . 1 1 79 79 PHE CA C . . 1 1 79 79 PHE C C . -160.0 -80.0 . . . F . 78 GLN C . . F . 79 PHE N . . F . 79 PHE CA . . F . 79 PHE C . fSH2 . 78 . C . . . fSH2 . 79 . N . . . fSH2 . 79 . CA . . . fSH2 . 79 . C . . rr_1aot 1 31 . . 1 1 80 80 GLU C C . . 1 1 81 81 THR N N . . 1 1 81 81 THR CA C . . 1 1 81 81 THR C C . -160.0 -80.0 . . . F . 80 GLU C . . F . 81 THR N . . F . 81 THR CA . . F . 81 THR C . fSH2 . 80 . C . . . fSH2 . 81 . N . . . fSH2 . 81 . CA . . . fSH2 . 81 . C . . rr_1aot 1 32 . . 1 1 82 82 LEU C C . . 1 1 83 83 GLN N N . . 1 1 83 83 GLN CA C . . 1 1 83 83 GLN C C . -90.0 -30.0 . . . F . 82 LEU C . . F . 83 GLN N . . F . 83 GLN CA . . F . 83 GLN C . fSH2 . 82 . C . . . fSH2 . 83 . N . . . fSH2 . 83 . CA . . . fSH2 . 83 . C . . rr_1aot 1 33 . . 1 1 84 84 GLN C C . . 1 1 85 85 LEU N N . . 1 1 85 85 LEU CA C . . 1 1 85 85 LEU C C . -90.0 -30.0 . . . F . 84 GLN C . . F . 85 LEU N . . F . 85 LEU CA . . F . 85 LEU C . fSH2 . 84 . C . . . fSH2 . 85 . N . . . fSH2 . 85 . CA . . . fSH2 . 85 . C . . rr_1aot 1 34 . . 1 1 87 87 GLN C C . . 1 1 88 88 HIS N N . . 1 1 88 88 HIS CA C . . 1 1 88 88 HIS C C . -90.0 -30.0 . . . F . 87 GLN C . . F . 88 HIS N . . F . 88 HIS CA . . F . 88 HIS C . fSH2 . 87 . C . . . fSH2 . 88 . N . . . fSH2 . 88 . CA . . . fSH2 . 88 . C . . rr_1aot 1 35 . . 1 1 89 89 TYR C C . . 1 1 90 90 SER N N . . 1 1 90 90 SER CA C . . 1 1 90 90 SER C C . -100.0 -20.0 . . . F . 89 TYR C . . F . 90 SER N . . F . 90 SER CA . . F . 90 SER C . fSH2 . 89 . C . . . fSH2 . 90 . N . . . fSH2 . 90 . CA . . . fSH2 . 90 . C . . rr_1aot 1 36 . . 1 1 92 92 ARG C C . . 1 1 93 93 ALA N N . . 1 1 93 93 ALA CA C . . 1 1 93 93 ALA C C . -90.0 -30.0 . . . F . 92 ARG C . . F . 93 ALA N . . F . 93 ALA CA . . F . 93 ALA C . fSH2 . 92 . C . . . fSH2 . 93 . N . . . fSH2 . 93 . CA . . . fSH2 . 93 . C . . rr_1aot 1 37 . . 1 1 95 95 GLY C C . . 1 1 96 96 LEU N N . . 1 1 96 96 LEU CA C . . 1 1 96 96 LEU C C . -160.0 -80.0 . . . F . 95 GLY C . . F . 96 LEU N . . F . 96 LEU CA . . F . 96 LEU C . fSH2 . 95 . C . . . fSH2 . 96 . N . . . fSH2 . 96 . CA . . . fSH2 . 96 . C . . rr_1aot 1 38 . . 1 1 96 96 LEU C C . . 1 1 97 97 SER N N . . 1 1 97 97 SER CA C . . 1 1 97 97 SER C C . -100.0 -20.0 . . . F . 96 LEU C . . F . 97 SER N . . F . 97 SER CA . . F . 97 SER C . fSH2 . 96 . C . . . fSH2 . 97 . N . . . fSH2 . 97 . CA . . . fSH2 . 97 . C . . rr_1aot 1 39 . . 1 1 104 104 SER C C . . 1 1 105 105 HIS N N . . 1 1 105 105 HIS CA C . . 1 1 105 105 HIS C C . -90.0 -30.0 . . . F . 104 SER C . . F . 105 HIS N . . F . 105 HIS CA . . F . 105 HIS C . fSH2 . 104 . C . . . fSH2 . 105 . N . . . fSH2 . 105 . CA . . . fSH2 . 105 . C . . rr_1aot 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; dihedral angle restraints generated from fsh2_exp_dihe.txt ; 1 1 2 19 rr_1aot 1 2 'PHI residue I144 4.5' 7 1 7 1 rr_1aot 1 3 'PHI residue Q145 4.3' 11 1 11 1 rr_1aot 1 4 'PHI residue R156 3.0' 15 1 15 1 rr_1aot 1 5 'PHI residue K157 4.7' 19 1 19 1 rr_1aot 1 6 'PHI residue D158 4.9' 23 1 23 1 rr_1aot 1 7 'PHI residue A159 4.1' 27 1 27 1 rr_1aot 1 8 'PHI residue E160 5.0' 31 1 31 1 rr_1aot 1 9 'PHI residue R161 3.7' 35 1 35 1 rr_1aot 1 10 'PHI residue Q162 3.4' 39 1 39 1 rr_1aot 1 11 'PHI residue L163 5.0' 43 1 43 1 rr_1aot 1 12 'PHI residue R170 4.8' 47 1 47 1 rr_1aot 1 13 'PHI residue T172 5.4' 51 1 51 1 rr_1aot 1 14 'PHI residue I175 8.3' 55 1 55 1 rr_1aot 1 15 'PHI residue K182 4.2' 59 1 59 1 rr_1aot 1 16 'PHI residue A184 8.6' 63 1 63 1 rr_1aot 1 17 'PHI residue Y185 8.6' 67 1 67 1 rr_1aot 1 18 'PHI residue S186 8.9' 71 1 71 1 rr_1aot 1 19 'PHI residue D191 8.8' 75 1 75 1 rr_1aot 1 20 'PHI residue D194 5.0' 79 1 79 1 rr_1aot 1 21 'PHI residue M195 8.4' 83 1 83 1 rr_1aot 1 22 'PHI residue D198 4.9' 87 1 87 1 rr_1aot 1 23 'PHI residue V200 8.6' 91 1 91 1 rr_1aot 1 24 'PHI residue K201 8.8' 95 1 95 1 rr_1aot 1 25 'PHI residue H202 9.2' 99 1 99 1 rr_1aot 1 26 'PHI residue Y203 8.7' 103 1 103 1 rr_1aot 1 27 'PHI residue I205 9.4' 107 1 107 1 rr_1aot 1 28 'PHI residue K207 8.0' 111 1 111 1 rr_1aot 1 29 'PHI residue D209 2.9' 115 1 115 1 rr_1aot 1 30 'PHI residue Q220 8.0' 119 1 119 1 rr_1aot 1 31 'PHI residue F221 9.3' 123 1 123 1 rr_1aot 1 32 'PHI residue T223 8.2' 127 1 127 1 rr_1aot 1 33 'PHI residue Q225 3.7' 131 1 131 1 rr_1aot 1 34 'PHI residue L227 4.7' 135 1 135 1 rr_1aot 1 35 'PHI residue H230 4.4' 139 1 139 1 rr_1aot 1 36 'PHI residue S232 5.4' 143 1 143 1 rr_1aot 1 37 'PHI residue A235 2.9' 147 1 147 1 rr_1aot 1 38 'PHI residue L238 9.9' 151 1 151 1 rr_1aot 1 39 'PHI residue S239 5.0' 155 1 155 1 rr_1aot 1 40 'PHI residue H247 4.8' 159 1 159 1 rr_1aot 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 'restraints dihedral' 4 1 5 10 rr_1aot 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1aot _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER COMPLEX (PROTO-ONCOGENE/EARLY PROTEIN) 10-JUL-97 1AOT *TITLE NMR STRUCTURE OF THE FYN SH2 DOMAIN COMPLEXED WITH A *TITLE 2 PHOSPHOTYROSYL PEPTIDE, MINIMIZED AVERAGE STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: FYN PROTEIN-TYROSINE KINASE; *COMPND 3 CHAIN: F; *COMPND 4 FRAGMENT: SH2 DOMAIN; *COMPND 5 SYNONYM: SRC HOMOLOGY 2 DOMAIN; *COMPND 6 EC: 2.7.1.112; *COMPND 7 ENGINEERED: YES; *COMPND 8 MUTATION: C97S, C98S, C104S; *COMPND 9 MOL_ID: 2; *COMPND 10 MOLECULE: PHOSPHOTYROSYL PEPTIDE; *COMPND 11 CHAIN: P *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 3 ORGANISM_COMMON: HUMAN; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); *SOURCE 6 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM; *SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PRK172; *SOURCE 8 EXPRESSION_SYSTEM_GENE: LYSS; *SOURCE 9 MOL_ID: 2; *SOURCE 10 ORGANISM_SCIENTIFIC: HAMSTER POLYOMAVIRUS *KEYWDS SH2 DOMAIN, SIGNAL TRANSDUCTION, PEPTIDE COMPLEX, *KEYWDS 2 COMPLEX (PROTO-ONCOGENE/EARLY PROTEIN) *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR T.D.MULHERN,G.L.SHAW,C.J.MORTON,A.J.DAY,I.D.CAMPBELL *REVDAT 1 14-JAN-98 1AOT 0 NMR structure of the Fyn SH2 domain complexed with a phosphotyrosyl peptide' save_ save_MR_file_comment_6 _Org_constr_file_comment.Sf_framecode MR_file_comment_6 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1aot _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 6 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment end save_