data_7191 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for Pseudomonas aeruginosa Hypothetical Protein RPA1041: Northeast Structural Genomics Consortium target Pat90 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eletsky Alexander . . 2 Atreya Hanudatta S. . 3 Liu Gaohua . . 4 Sukumaran Dinesh . . 5 Garcia Maite . . 6 Yee Adelinda . . 7 Arrowsmith Cheryl . . 8 Szyperski Thomas . . stop_ _BMRB_accession_number 7191 _BMRB_flat_file_name bmr7191.str _Entry_type new _Submission_date 2006-06-26 _Accession_date 2006-06-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 442 "13C chemical shifts" 337 "15N chemical shifts" 86 "spectral peak list" ? stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution NMR Structure of Pseudomonas aeruginosa Hypothetical Protein RPA1041 ; _Citation_status "in preparation" _Citation_type journal _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eletsky Alexander . . 2 Atreya Hanudatta S. . 3 Liu Gaohua . . 4 Sukumaran Dinesh . . 5 Garcia Maite . . 6 Yee Adelinda . . 7 Arrowsmith Cheryl . . 8 Szyperski Thomas . . stop_ _Journal_abbreviation "Proteins: Struct. Funct. Genet." _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "pat90 monomer" _Abbreviation_common "pat90 monomer" loop_ _Mol_system_component_name _Mol_label "pat90 monomer" $pat90_protein stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "not present" loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_relation_type _Database_entry_details PDB 2HFV ? ? ? RCSB RCSB038299 ? ? ? stop_ save_ ######################## # Monomeric polymers # ######################## save_pat90_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common pat90 _Mol_thiol_state "not present" ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; MGSSHHHHHHSSGRENLYFQ GHLRELLRTNDAVLLSAVGA LLDGADIGHLVLDQNMSILE GSLGVIPRRVLVHEDDLAGA RRLLTDAGLAHELRSDD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 ARG 15 GLU 16 ASN 17 LEU 18 TYR 19 PHE 20 GLN 21 GLY 22 HIS 23 LEU 24 ARG 25 GLU 26 LEU 27 LEU 28 ARG 29 THR 30 ASN 31 ASP 32 ALA 33 VAL 34 LEU 35 LEU 36 SER 37 ALA 38 VAL 39 GLY 40 ALA 41 LEU 42 LEU 43 ASP 44 GLY 45 ALA 46 ASP 47 ILE 48 GLY 49 HIS 50 LEU 51 VAL 52 LEU 53 ASP 54 GLN 55 ASN 56 MET 57 SER 58 ILE 59 LEU 60 GLU 61 GLY 62 SER 63 LEU 64 GLY 65 VAL 66 ILE 67 PRO 68 ARG 69 ARG 70 VAL 71 LEU 72 VAL 73 HIS 74 GLU 75 ASP 76 ASP 77 LEU 78 ALA 79 GLY 80 ALA 81 ARG 82 ARG 83 LEU 84 LEU 85 THR 86 ASP 87 ALA 88 GLY 89 LEU 90 ALA 91 HIS 92 GLU 93 LEU 94 ARG 95 SER 96 ASP 97 ASP stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $pat90_protein "P. aeruginosa" 287 Eubacteria . Pseudomonas aeruginosa stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $pat90_protein "recombinant technology" "E. coli" ? ? "BL21 DE3 gold magic" "p15Tv lic" stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $pat90_protein 0.5 mM "[U-100% 13C; U-100% 15N]" MOPS 10 mM ? NaCl 450 mM ? NaN3 0.01 "% w/w" ? ZnSO4 10 mM ? DTT 10 mM ? benzamidine 1 mM ? "inhibitor cocktail" 1 mM ? stop_ save_ save_NC7 _Saveframe_category sample _Sample_type solution _Details ; One equivalent was used for the unit of the component "inhibitor cocktail" in the sample. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $pat90_protein 0.5 mM "[U-7% 13C; U-100% 15N]" MOPS 10 mM ? NaCl 450 mM ? NaN3 0.01 "% w/w" ? ZnSO4 10 mM ? DTT 10 mM ? benzamidine 1 mM ? "inhibitor cocktail" 1 mM ? stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address "Varian, Inc." ? ? stop_ loop_ _Task "NMR data acqusition" stop_ save_ save_xeasy _Saveframe_category software _Name xeasy _Version 1.3.13 loop_ _Task "Spectral analysis" stop_ _Details ; Ch. Bartels, T.-H. Xia, M. Billeter, P. Guntert and K. Wuthrich (1995), J. Biomolecular NMR 5, 1-10. ; save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5.3 loop_ _Task "Spectral analysis" stop_ _Details ; The Computer Aided Resonance Assignment Tutorial by Rochus Keller, first edition 2004, ISBN 3-85600-112-3, CANTINA Verlag. ; save_ save_PROSA _Saveframe_category software _Name PROSA _Version 6.0 loop_ _Task "NMR data processing" stop_ _Details ; Guntert, P., Dutsch, V., Wider, G. & Wuthrich K., J. Biomol. NMR 2, 619-629 (1992). ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ save_750MHz _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Saveframe_category NMR_applied_experiment _Experiment_name ; 2D 1H15N HSQC 2D 1H13C HSQC (ali) 2D 1H13C HSQC (aro) 2D CT-1H13C HSQC (ali) 2D CT-1H13C HSQC (aro) 3D HNCO (4,3)D GFT CABCA(CO)NHN (4,3)D GFT HNNCABCA 3D HAB(CO)NH (4,3)D GFT HCCH-COSY (ali) 3D (H)CCH-TOCSY (ali) 3D 15N-, 13Cali-, 13Caro-resolved NOESY 2D 28ms CT-1H13C_HSQC (methyl) 2D 56ms CT-1H13C_HSQC (methyl) 3D (H)CCH-COSY (ali) ; save_ save_2D_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H15N HSQC" _Sample_label $NC save_ save_2D_1H13C_HSQC_(ali) _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H13C HSQC (ali)" _Sample_label $NC save_ save_2D_1H13C_HSQC_(aro) _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H13C HSQC (aro)" _Sample_label $NC save_ save_2D_CT-1H13C_HSQC_(ali) _Saveframe_category NMR_applied_experiment _Experiment_name "2D CT-1H13C HSQC (ali)" _Sample_label $NC save_ save_2D_CT-1H13C_HSQC_(aro) _Saveframe_category NMR_applied_experiment _Experiment_name "2D CT-1H13C HSQC (aro)" _Sample_label $NC save_ save_3D_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNCO" _Sample_label $NC save_ save_(4,3)D_GFT_CABCA(CO)NHN _Saveframe_category NMR_applied_experiment _Experiment_name "(4,3)D GFT CABCA(CO)NHN" _Sample_label $NC save_ save_3D_HAB(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name "3D HAB(CO)NH" _Sample_label $NC save_ save_(4,3)D_GFT_HNNCABCA _Saveframe_category NMR_applied_experiment _Experiment_name "(4,3)D GFT HNNCABCA" _Sample_label $NC save_ save_(4,3)D_GFT_HCCH-COSY_(ali) _Saveframe_category NMR_applied_experiment _Experiment_name "(4,3)D GFT HCCH-COSY (ali)" _Sample_label $NC save_ save_3D_(H)CCH-COSY_(ali) _Saveframe_category NMR_applied_experiment _Experiment_name "3D (H)CCH-COSY (ali)" _Sample_label $NC save_ save_3D_15N-,_13Cali-,_13Caro-resolved_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name "3D 15N-, 13Cali-, 13Caro-resolved NOESY" _Sample_label $NC save_ save_2D_28ms_CT-1H13C_HSQC_(methyl) _Saveframe_category NMR_applied_experiment _Experiment_name "2D 28ms CT-1H13C HSQC (methyl)" _Sample_label $NC7 save_ save_2D_56ms_CT-1H13C_HSQC_(methyl) _Saveframe_category NMR_applied_experiment _Experiment_name "2D 56ms CT-1H13C HSQC (methyl)" _Sample_label $NC7 save_ save_3D_(H)CCH-TOCSY_(ali) _Saveframe_category NMR_applied_experiment _Experiment_name "3D (H)CCH-TOCSY (ali)" _Sample_label $NC save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 0.1 K pH 6.5 0.1 pH stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 "methyl protons" ppm 0.0 internal direct ? ? ? 1.0 DSS C 13 "methyl protons" ppm 0.0 . indirect ? ? ? 0.251449530 DSS N 15 "methyl protons" ppm 0.0 . indirect ? ? ? 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Experiment_label $2D_1H15N_HSQC $2D_1H13C_HSQC_(ali) $2D_1H13C_HSQC_(aro) $2D_CT-1H13C_HSQC_(ali) $2D_CT-1H13C_HSQC_(aro) $3D_HNCO $(4,3)D_GFT_CABCA(CO)NHN $(4,3)D_GFT_HNNCABCA $3D_HAB(CO)NH $(4,3)D_GFT_HCCH-COSY_(ali) $3D_15N-,_13Cali-,_13Caro-resolved_NOESY $2D_28ms_CT-1H13C_HSQC_(methyl) $2D_56ms_CT-1H13C_HSQC_(methyl) $3D_(H)CCH-TOCSY_(ali) stop_ loop_ _Sample_label $NC $NC7 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name "pat90 monomer" loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 13 13 GLY H H 8.500 0.02 1 2 13 13 GLY HA2 H 4.007 0.02 1 3 13 13 GLY HA3 H 4.007 0.02 1 4 13 13 GLY C C 174.507 0.3 1 5 13 13 GLY CA C 45.562 0.3 1 6 13 13 GLY N N 110.924 0.3 1 7 14 14 ARG H H 8.202 0.02 1 8 14 14 ARG HA H 4.304 0.02 1 9 14 14 ARG HB2 H 1.773 0.02 2 10 14 14 ARG HB3 H 1.873 0.02 2 11 14 14 ARG HG2 H 1.598 0.02 1 12 14 14 ARG HG3 H 1.598 0.02 1 13 14 14 ARG HD2 H 3.151 0.02 1 14 14 14 ARG HD3 H 3.151 0.02 1 15 14 14 ARG C C 176.687 0.3 1 16 14 14 ARG CA C 56.164 0.3 1 17 14 14 ARG CB C 30.629 0.3 1 18 14 14 ARG CG C 27.105 0.3 1 19 14 14 ARG CD C 43.215 0.3 1 20 14 14 ARG N N 120.361 0.3 1 21 15 15 GLU H H 8.629 0.02 1 22 15 15 GLU HA H 4.230 0.02 1 23 15 15 GLU HB2 H 1.987 0.02 2 24 15 15 GLU HB3 H 2.067 0.02 2 25 15 15 GLU HG2 H 2.282 0.02 1 26 15 15 GLU HG3 H 2.282 0.02 1 27 15 15 GLU C C 176.501 0.3 1 28 15 15 GLU CA C 57.031 0.3 1 29 15 15 GLU CB C 29.806 0.3 1 30 15 15 GLU CG C 36.260 0.3 1 31 15 15 GLU N N 120.846 0.3 1 32 16 16 ASN H H 8.383 0.02 1 33 16 16 ASN HA H 4.662 0.02 1 34 16 16 ASN HB2 H 2.794 0.02 2 35 16 16 ASN HB3 H 2.835 0.02 2 36 16 16 ASN HD21 H 6.929 0.02 2 37 16 16 ASN HD22 H 7.609 0.02 2 38 16 16 ASN C C 175.742 0.3 1 39 16 16 ASN CA C 53.490 0.3 1 40 16 16 ASN CB C 38.655 0.3 1 41 16 16 ASN N N 118.986 0.3 1 42 16 16 ASN ND2 N 112.842 0.3 1 43 17 17 LEU H H 8.114 0.02 1 44 17 17 LEU HA H 4.171 0.02 1 45 17 17 LEU HB2 H 1.395 0.02 2 46 17 17 LEU HB3 H 1.613 0.02 2 47 17 17 LEU HG H 1.582 0.02 1 48 17 17 LEU HD1 H 0.860 0.02 1 49 17 17 LEU HD2 H 0.797 0.02 1 50 17 17 LEU C C 177.686 0.3 1 51 17 17 LEU CA C 55.935 0.3 1 52 17 17 LEU CB C 41.850 0.3 1 53 17 17 LEU CG C 26.889 0.3 1 54 17 17 LEU CD1 C 25.206 0.3 1 55 17 17 LEU CD2 C 23.296 0.3 1 56 17 17 LEU N N 121.511 0.3 1 57 18 18 TYR H H 8.061 0.02 1 58 18 18 TYR N N 120.226 0.3 1 59 19 19 PHE H H 8.073 0.02 1 60 19 19 PHE N N 119.498 0.3 1 61 20 20 GLN HA H 4.178 0.02 1 62 20 20 GLN HB2 H 2.064 0.02 2 63 20 20 GLN HB3 H 2.205 0.02 2 64 20 20 GLN HG2 H 2.417 0.02 1 65 20 20 GLN HG3 H 2.417 0.02 1 66 20 20 GLN HE21 H 7.464 0.02 2 67 20 20 GLN HE22 H 6.881 0.02 2 68 20 20 GLN CA C 56.632 0.3 1 69 20 20 GLN CB C 28.664 0.3 1 70 20 20 GLN CG C 34.031 0.3 1 71 20 20 GLN NE2 N 111.826 0.3 1 72 23 23 LEU H H 7.446 0.02 1 73 23 23 LEU HA H 4.602 0.02 1 74 23 23 LEU HB2 H 1.139 0.02 2 75 23 23 LEU HB3 H 1.742 0.02 2 76 23 23 LEU HG H 1.567 0.02 1 77 23 23 LEU HD1 H 0.743 0.02 1 78 23 23 LEU HD2 H 0.580 0.02 1 79 23 23 LEU C C 177.246 0.3 1 80 23 23 LEU CA C 53.930 0.3 1 81 23 23 LEU CB C 43.204 0.3 1 82 23 23 LEU CG C 26.894 0.3 1 83 23 23 LEU CD1 C 26.407 0.3 1 84 23 23 LEU CD2 C 22.165 0.3 1 85 23 23 LEU N N 118.501 0.3 1 86 24 24 ARG H H 9.437 0.02 1 87 24 24 ARG HA H 4.722 0.02 1 88 24 24 ARG HB2 H 1.506 0.02 2 89 24 24 ARG HB3 H 1.808 0.02 2 90 24 24 ARG HG2 H 1.455 0.02 2 91 24 24 ARG HG3 H 1.612 0.02 2 92 24 24 ARG HD2 H 3.168 0.02 2 93 24 24 ARG HD3 H 3.302 0.02 2 94 24 24 ARG C C 174.876 0.3 1 95 24 24 ARG CA C 52.147 0.3 1 96 24 24 ARG CB C 34.188 0.3 1 97 24 24 ARG CG C 26.445 0.3 1 98 24 24 ARG CD C 41.889 0.3 1 99 24 24 ARG N N 120.307 0.3 1 100 25 25 GLU H H 8.869 0.02 1 101 25 25 GLU HA H 4.338 0.02 1 102 25 25 GLU HB2 H 1.933 0.02 1 103 25 25 GLU HB3 H 1.933 0.02 1 104 25 25 GLU HG2 H 1.803 0.02 2 105 25 25 GLU HG3 H 2.078 0.02 2 106 25 25 GLU C C 175.065 0.3 1 107 25 25 GLU CA C 56.842 0.3 1 108 25 25 GLU CB C 30.696 0.3 1 109 25 25 GLU CG C 37.173 0.3 1 110 25 25 GLU N N 122.374 0.3 1 111 26 26 LEU H H 9.548 0.02 1 112 26 26 LEU HA H 4.383 0.02 1 113 26 26 LEU HB2 H 1.276 0.02 2 114 26 26 LEU HB3 H 1.719 0.02 2 115 26 26 LEU HG H 1.423 0.02 1 116 26 26 LEU HD1 H 0.884 0.02 1 117 26 26 LEU HD2 H 0.731 0.02 1 118 26 26 LEU C C 175.817 0.3 1 119 26 26 LEU CA C 55.481 0.3 1 120 26 26 LEU CB C 44.776 0.3 1 121 26 26 LEU CG C 26.910 0.3 1 122 26 26 LEU CD1 C 24.433 0.3 1 123 26 26 LEU CD2 C 27.326 0.3 1 124 26 26 LEU N N 129.290 0.3 1 125 27 27 LEU H H 7.549 0.02 1 126 27 27 LEU HA H 4.682 0.02 1 127 27 27 LEU HB2 H 1.806 0.02 2 128 27 27 LEU HB3 H 1.857 0.02 2 129 27 27 LEU HG H 1.444 0.02 1 130 27 27 LEU HD1 H 0.722 0.02 1 131 27 27 LEU HD2 H 0.716 0.02 1 132 27 27 LEU C C 172.705 0.3 1 133 27 27 LEU CA C 54.504 0.3 1 134 27 27 LEU CB C 44.314 0.3 1 135 27 27 LEU CG C 26.222 0.3 1 136 27 27 LEU CD1 C 25.759 0.3 1 137 27 27 LEU CD2 C 27.675 0.3 1 138 27 27 LEU N N 112.605 0.3 1 139 28 28 ARG H H 8.811 0.02 1 140 28 28 ARG HA H 5.544 0.02 1 141 28 28 ARG HB2 H 1.534 0.02 2 142 28 28 ARG HB3 H 2.015 0.02 2 143 28 28 ARG HG2 H 1.596 0.02 1 144 28 28 ARG HG3 H 1.596 0.02 1 145 28 28 ARG HD2 H 2.950 0.02 2 146 28 28 ARG HD3 H 3.241 0.02 2 147 28 28 ARG C C 174.321 0.3 1 148 28 28 ARG CA C 53.975 0.3 1 149 28 28 ARG CB C 33.390 0.3 1 150 28 28 ARG CG C 24.640 0.3 1 151 28 28 ARG CD C 43.786 0.3 1 152 28 28 ARG N N 119.278 0.3 1 153 29 29 THR H H 8.881 0.02 1 154 29 29 THR HA H 4.739 0.02 1 155 29 29 THR HB H 4.377 0.02 1 156 29 29 THR HG2 H 0.920 0.02 1 157 29 29 THR C C 171.459 0.3 1 158 29 29 THR CA C 60.973 0.3 1 159 29 29 THR CB C 67.094 0.3 1 160 29 29 THR CG2 C 19.071 0.3 1 161 29 29 THR N N 116.182 0.3 1 162 30 30 ASN H H 8.530 0.02 1 163 30 30 ASN HA H 5.122 0.02 1 164 30 30 ASN HB2 H 2.835 0.02 2 165 30 30 ASN HB3 H 2.682 0.02 2 166 30 30 ASN HD21 H 7.584 0.02 2 167 30 30 ASN HD22 H 6.807 0.02 2 168 30 30 ASN C C 174.753 0.3 1 169 30 30 ASN CA C 51.942 0.3 1 170 30 30 ASN CB C 39.244 0.3 1 171 30 30 ASN N N 124.415 0.3 1 172 30 30 ASN ND2 N 111.055 0.3 1 173 31 31 ASP H H 8.957 0.02 1 174 31 31 ASP HA H 4.622 0.02 1 175 31 31 ASP HB2 H 2.559 0.02 2 176 31 31 ASP HB3 H 3.145 0.02 2 177 31 31 ASP C C 175.724 0.3 1 178 31 31 ASP CA C 53.481 0.3 1 179 31 31 ASP CB C 41.641 0.3 1 180 31 31 ASP N N 124.163 0.3 1 181 32 32 ALA H H 8.834 0.02 1 182 32 32 ALA HA H 4.000 0.02 1 183 32 32 ALA HB H 1.535 0.02 1 184 32 32 ALA C C 180.426 0.3 1 185 32 32 ALA CA C 54.817 0.3 1 186 32 32 ALA CB C 19.373 0.3 1 187 32 32 ALA N N 129.421 0.3 1 188 33 33 VAL H H 8.141 0.02 1 189 33 33 VAL HA H 3.706 0.02 1 190 33 33 VAL HB H 2.367 0.02 1 191 33 33 VAL HG1 H 0.961 0.02 1 192 33 33 VAL HG2 H 1.073 0.02 1 193 33 33 VAL C C 179.112 0.3 1 194 33 33 VAL CA C 65.779 0.3 1 195 33 33 VAL CB C 31.114 0.3 1 196 33 33 VAL CG1 C 21.188 0.3 1 197 33 33 VAL CG2 C 22.464 0.3 1 198 33 33 VAL N N 120.563 0.3 1 199 34 34 LEU H H 7.531 0.02 1 200 34 34 LEU HA H 4.202 0.02 1 201 34 34 LEU HB2 H 1.571 0.02 2 202 34 34 LEU HB3 H 1.946 0.02 2 203 34 34 LEU HG H 1.424 0.02 1 204 34 34 LEU HD1 H 0.946 0.02 1 205 34 34 LEU HD2 H 0.973 0.02 1 206 34 34 LEU C C 178.863 0.3 1 207 34 34 LEU CA C 57.066 0.3 1 208 34 34 LEU CB C 40.767 0.3 1 209 34 34 LEU CG C 27.373 0.3 1 210 34 34 LEU CD1 C 24.215 0.3 1 211 34 34 LEU CD2 C 25.583 0.3 1 212 34 34 LEU N N 123.907 0.3 1 213 35 35 LEU H H 8.330 0.02 1 214 35 35 LEU HA H 3.722 0.02 1 215 35 35 LEU HB2 H 1.615 0.02 1 216 35 35 LEU HB3 H 1.615 0.02 1 217 35 35 LEU HG H 1.560 0.02 1 218 35 35 LEU HD1 H 0.738 0.02 1 219 35 35 LEU HD2 H 0.738 0.02 1 220 35 35 LEU C C 180.028 0.3 1 221 35 35 LEU CA C 58.197 0.3 1 222 35 35 LEU CB C 41.689 0.3 1 223 35 35 LEU CG C 26.695 0.3 1 224 35 35 LEU CD1 C 24.653 0.3 1 225 35 35 LEU N N 117.741 0.3 1 226 36 36 SER H H 7.939 0.02 1 227 36 36 SER HA H 4.274 0.02 1 228 36 36 SER HB2 H 4.032 0.02 1 229 36 36 SER HB3 H 4.032 0.02 1 230 36 36 SER C C 176.931 0.3 1 231 36 36 SER CA C 61.278 0.3 1 232 36 36 SER CB C 62.411 0.3 1 233 36 36 SER N N 114.924 0.3 1 234 37 37 ALA H H 8.114 0.02 1 235 37 37 ALA HA H 4.204 0.02 1 236 37 37 ALA HB H 1.558 0.02 1 237 37 37 ALA C C 180.915 0.3 1 238 37 37 ALA CA C 54.832 0.3 1 239 37 37 ALA CB C 18.147 0.3 1 240 37 37 ALA N N 126.104 0.3 1 241 38 38 VAL H H 8.875 0.02 1 242 38 38 VAL HA H 3.405 0.02 1 243 38 38 VAL HB H 2.101 0.02 1 244 38 38 VAL HG1 H 0.736 0.02 1 245 38 38 VAL HG2 H 0.964 0.02 1 246 38 38 VAL C C 177.433 0.3 1 247 38 38 VAL CA C 66.303 0.3 1 248 38 38 VAL CB C 31.568 0.3 1 249 38 38 VAL CG1 C 21.526 0.3 1 250 38 38 VAL CG2 C 23.755 0.3 1 251 38 38 VAL N N 118.905 0.3 1 252 39 39 GLY H H 8.295 0.02 1 253 39 39 GLY HA2 H 3.383 0.02 2 254 39 39 GLY HA3 H 3.907 0.02 2 255 39 39 GLY C C 174.697 0.3 1 256 39 39 GLY CA C 47.661 0.3 1 257 39 39 GLY N N 106.943 0.3 1 258 40 40 ALA H H 7.736 0.02 1 259 40 40 ALA HA H 4.278 0.02 1 260 40 40 ALA HB H 1.525 0.02 1 261 40 40 ALA C C 181.798 0.3 1 262 40 40 ALA CA C 54.697 0.3 1 263 40 40 ALA CB C 18.269 0.3 1 264 40 40 ALA N N 121.373 0.3 1 265 41 41 LEU H H 7.889 0.02 1 266 41 41 LEU HA H 4.078 0.02 1 267 41 41 LEU HB2 H 1.909 0.02 1 268 41 41 LEU HB3 H 1.331 0.02 1 269 41 41 LEU HG H 1.749 0.02 1 270 41 41 LEU HD1 H 0.769 0.02 1 271 41 41 LEU HD2 H 0.849 0.02 1 272 41 41 LEU C C 179.736 0.3 1 273 41 41 LEU CA C 57.296 0.3 1 274 41 41 LEU CB C 42.534 0.3 1 275 41 41 LEU CG C 26.902 0.3 1 276 41 41 LEU CD1 C 25.776 0.3 1 277 41 41 LEU CD2 C 23.979 0.3 1 278 41 41 LEU N N 121.067 0.3 1 279 42 42 LEU H H 8.325 0.02 1 280 42 42 LEU HA H 3.860 0.02 1 281 42 42 LEU HB2 H 1.385 0.02 2 282 42 42 LEU HB3 H 1.563 0.02 2 283 42 42 LEU HG H 1.704 0.02 1 284 42 42 LEU HD1 H 0.087 0.02 1 285 42 42 LEU HD2 H 0.599 0.02 1 286 42 42 LEU C C 179.612 0.3 1 287 42 42 LEU CA C 57.962 0.3 1 288 42 42 LEU CB C 39.646 0.3 1 289 42 42 LEU CG C 25.912 0.3 1 290 42 42 LEU CD1 C 25.545 0.3 1 291 42 42 LEU CD2 C 22.115 0.3 1 292 42 42 LEU N N 118.959 0.3 1 293 43 43 ASP H H 8.958 0.02 1 294 43 43 ASP HA H 4.547 0.02 1 295 43 43 ASP HB2 H 2.715 0.02 2 296 43 43 ASP HB3 H 2.899 0.02 2 297 43 43 ASP C C 181.104 0.3 1 298 43 43 ASP CA C 57.290 0.3 1 299 43 43 ASP CB C 40.160 0.3 1 300 43 43 ASP N N 120.051 0.3 1 301 44 44 GLY H H 8.165 0.02 1 302 44 44 GLY HA2 H 3.951 0.02 1 303 44 44 GLY HA3 H 3.951 0.02 1 304 44 44 GLY C C 174.170 0.3 1 305 44 44 GLY CA C 46.763 0.3 1 306 44 44 GLY N N 107.711 0.3 1 307 45 45 ALA H H 7.306 0.02 1 308 45 45 ALA HA H 4.566 0.02 1 309 45 45 ALA HB H 1.454 0.02 1 310 45 45 ALA C C 175.813 0.3 1 311 45 45 ALA CA C 50.751 0.3 1 312 45 45 ALA CB C 20.842 0.3 1 313 45 45 ALA N N 122.006 0.3 1 314 46 46 ASP H H 8.035 0.02 1 315 46 46 ASP HA H 4.333 0.02 1 316 46 46 ASP HB2 H 2.650 0.02 2 317 46 46 ASP HB3 H 3.120 0.02 2 318 46 46 ASP C C 174.939 0.3 1 319 46 46 ASP CA C 55.263 0.3 1 320 46 46 ASP CB C 39.630 0.3 1 321 46 46 ASP N N 117.502 0.3 1 322 47 47 ILE H H 8.245 0.02 1 323 47 47 ILE HA H 4.227 0.02 1 324 47 47 ILE HB H 1.661 0.02 1 325 47 47 ILE HG12 H 1.660 0.02 2 326 47 47 ILE HG13 H 0.886 0.02 2 327 47 47 ILE HG2 H 0.962 0.02 1 328 47 47 ILE HD1 H 0.790 0.02 1 329 47 47 ILE C C 176.625 0.3 1 330 47 47 ILE CA C 60.613 0.3 1 331 47 47 ILE CB C 38.757 0.3 1 332 47 47 ILE CG1 C 27.325 0.3 1 333 47 47 ILE CG2 C 17.491 0.3 1 334 47 47 ILE CD1 C 13.474 0.3 1 335 47 47 ILE N N 118.501 0.3 1 336 48 48 GLY H H 9.265 0.02 1 337 48 48 GLY HA2 H 3.754 0.02 2 338 48 48 GLY HA3 H 4.127 0.02 2 339 48 48 GLY C C 173.016 0.3 1 340 48 48 GLY CA C 45.453 0.3 1 341 48 48 GLY N N 118.743 0.3 1 342 49 49 HIS H H 8.396 0.02 1 343 49 49 HIS HA H 5.468 0.02 1 344 49 49 HIS HB2 H 2.892 0.02 1 345 49 49 HIS HB3 H 3.063 0.02 1 346 49 49 HIS HD2 H 6.486 0.02 1 347 49 49 HIS C C 172.396 0.3 1 348 49 49 HIS CA C 55.028 0.3 1 349 49 49 HIS CB C 31.849 0.3 1 350 49 49 HIS CD2 C 125.249 0.3 1 351 49 49 HIS N N 117.750 0.3 1 352 50 50 LEU H H 8.816 0.02 1 353 50 50 LEU HA H 4.678 0.02 1 354 50 50 LEU HB2 H 1.389 0.02 2 355 50 50 LEU HB3 H 1.500 0.02 2 356 50 50 LEU HG H 1.427 0.02 1 357 50 50 LEU HD1 H 0.828 0.02 2 358 50 50 LEU HD2 H 0.797 0.02 2 359 50 50 LEU C C 175.126 0.3 1 360 50 50 LEU CA C 53.258 0.3 1 361 50 50 LEU CB C 46.321 0.3 1 362 50 50 LEU CG C 27.104 0.3 1 363 50 50 LEU CD1 C 24.880 0.3 1 364 50 50 LEU CD2 C 25.307 0.3 1 365 50 50 LEU N N 121.062 0.3 1 366 51 51 VAL H H 8.630 0.02 1 367 51 51 VAL HA H 5.033 0.02 1 368 51 51 VAL HB H 2.077 0.02 1 369 51 51 VAL HG1 H 0.888 0.02 1 370 51 51 VAL HG2 H 1.099 0.02 1 371 51 51 VAL C C 175.685 0.3 1 372 51 51 VAL CA C 61.051 0.3 1 373 51 51 VAL CB C 32.502 0.3 1 374 51 51 VAL CG1 C 21.983 0.3 1 375 51 51 VAL CG2 C 21.532 0.3 1 376 51 51 VAL N N 123.893 0.3 1 377 52 52 LEU H H 9.121 0.02 1 378 52 52 LEU HA H 4.769 0.02 1 379 52 52 LEU HB2 H 1.505 0.02 2 380 52 52 LEU HB3 H 1.673 0.02 2 381 52 52 LEU HG H 1.530 0.02 1 382 52 52 LEU HD1 H 0.837 0.02 1 383 52 52 LEU HD2 H 0.837 0.02 1 384 52 52 LEU C C 176.271 0.3 1 385 52 52 LEU CA C 53.615 0.3 1 386 52 52 LEU CB C 44.761 0.3 1 387 52 52 LEU CG C 27.067 0.3 1 388 52 52 LEU CD1 C 25.558 0.3 1 389 52 52 LEU CD2 C 24.005 0.3 1 390 52 52 LEU N N 128.180 0.3 1 391 53 53 ASP H H 8.673 0.02 1 392 53 53 ASP HA H 4.797 0.02 1 393 53 53 ASP HB2 H 2.635 0.02 2 394 53 53 ASP HB3 H 2.772 0.02 2 395 53 53 ASP C C 176.667 0.3 1 396 53 53 ASP CA C 53.980 0.3 1 397 53 53 ASP CB C 41.614 0.3 1 398 53 53 ASP N N 122.869 0.3 1 399 54 54 GLN H H 8.691 0.02 1 400 54 54 GLN HA H 4.289 0.02 1 401 54 54 GLN HB2 H 1.936 0.02 2 402 54 54 GLN HB3 H 2.080 0.02 2 403 54 54 GLN HG2 H 2.303 0.02 1 404 54 54 GLN HG3 H 2.303 0.02 1 405 54 54 GLN HE21 H 7.495 0.02 2 406 54 54 GLN HE22 H 6.847 0.02 2 407 54 54 GLN C C 175.437 0.3 1 408 54 54 GLN CA C 55.950 0.3 1 409 54 54 GLN CB C 29.859 0.3 1 410 54 54 GLN CG C 34.068 0.3 1 411 54 54 GLN N N 121.062 0.3 1 412 54 54 GLN NE2 N 111.373 0.3 1 413 55 55 ASN H H 8.569 0.02 1 414 55 55 ASN HA H 4.686 0.02 1 415 55 55 ASN HB2 H 2.835 0.02 1 416 55 55 ASN HB3 H 2.835 0.02 1 417 55 55 ASN HD21 H 7.770 0.02 2 418 55 55 ASN HD22 H 7.126 0.02 2 419 55 55 ASN C C 175.229 0.3 1 420 55 55 ASN CA C 53.452 0.3 1 421 55 55 ASN CB C 39.052 0.3 1 422 55 55 ASN N N 119.799 0.3 1 423 55 55 ASN ND2 N 113.751 0.3 1 424 56 56 MET H H 8.368 0.02 1 425 56 56 MET HA H 4.572 0.02 1 426 56 56 MET HB2 H 2.051 0.02 2 427 56 56 MET HB3 H 2.146 0.02 2 428 56 56 MET HG2 H 2.527 0.02 2 429 56 56 MET HG3 H 2.610 0.02 2 430 56 56 MET C C 176.001 0.3 1 431 56 56 MET CA C 55.274 0.3 1 432 56 56 MET CB C 32.941 0.3 1 433 56 56 MET CG C 32.049 0.3 1 434 56 56 MET N N 120.302 0.3 1 435 57 57 SER H H 8.407 0.02 1 436 57 57 SER HA H 4.530 0.02 1 437 57 57 SER HB2 H 3.896 0.02 1 438 57 57 SER HB3 H 3.896 0.02 1 439 57 57 SER C C 174.617 0.3 1 440 57 57 SER CA C 57.959 0.3 1 441 57 57 SER CB C 63.655 0.3 1 442 57 57 SER N N 116.532 0.3 1 443 58 58 ILE H H 8.120 0.02 1 444 58 58 ILE HA H 4.243 0.02 1 445 58 58 ILE HB H 1.930 0.02 1 446 58 58 ILE HG12 H 1.462 0.02 2 447 58 58 ILE HG13 H 1.188 0.02 2 448 58 58 ILE HG2 H 0.915 0.02 1 449 58 58 ILE HD1 H 0.874 0.02 1 450 58 58 ILE C C 176.319 0.3 1 451 58 58 ILE CA C 61.288 0.3 1 452 58 58 ILE CB C 38.500 0.3 1 453 58 58 ILE CG1 C 27.342 0.3 1 454 58 58 ILE CG2 C 17.910 0.3 1 455 58 58 ILE CD1 C 13.478 0.3 1 456 58 58 ILE N N 121.573 0.3 1 457 59 59 LEU H H 8.209 0.02 1 458 59 59 LEU HA H 4.382 0.02 1 459 59 59 LEU HB2 H 1.607 0.02 2 460 59 59 LEU HB3 H 1.659 0.02 2 461 59 59 LEU HG H 1.624 0.02 1 462 59 59 LEU HD1 H 0.942 0.02 1 463 59 59 LEU HD2 H 0.884 0.02 1 464 59 59 LEU C C 177.370 0.3 1 465 59 59 LEU CA C 55.046 0.3 1 466 59 59 LEU CB C 42.342 0.3 1 467 59 59 LEU CG C 27.070 0.3 1 468 59 59 LEU CD1 C 25.059 0.3 1 469 59 59 LEU CD2 C 23.546 0.3 1 470 59 59 LEU N N 124.837 0.3 1 471 60 60 GLU H H 8.351 0.02 1 472 60 60 GLU HA H 4.244 0.02 1 473 60 60 GLU HB2 H 2.002 0.02 2 474 60 60 GLU HB3 H 2.077 0.02 2 475 60 60 GLU HG2 H 2.280 0.02 1 476 60 60 GLU HG3 H 2.280 0.02 1 477 60 60 GLU C C 177.114 0.3 1 478 60 60 GLU CA C 56.863 0.3 1 479 60 60 GLU CB C 29.900 0.3 1 480 60 60 GLU CG C 36.276 0.3 1 481 60 60 GLU N N 121.494 0.3 1 482 61 61 GLY H H 8.438 0.02 1 483 61 61 GLY HA2 H 3.916 0.02 2 484 61 61 GLY HA3 H 4.103 0.02 2 485 61 61 GLY C C 174.454 0.3 1 486 61 61 GLY CA C 45.490 0.3 1 487 61 61 GLY N N 109.778 0.3 1 488 62 62 SER H H 8.149 0.02 1 489 62 62 SER HA H 4.509 0.02 1 490 62 62 SER HB2 H 3.916 0.02 1 491 62 62 SER HB3 H 3.916 0.02 1 492 62 62 SER C C 174.570 0.3 1 493 62 62 SER CA C 57.968 0.3 1 494 62 62 SER CB C 63.549 0.3 1 495 62 62 SER N N 115.445 0.3 1 496 63 63 LEU H H 8.319 0.02 1 497 63 63 LEU HA H 4.423 0.02 1 498 63 63 LEU HB2 H 1.654 0.02 2 499 63 63 LEU HB3 H 1.724 0.02 2 500 63 63 LEU HG H 1.669 0.02 1 501 63 63 LEU HD1 H 0.944 0.02 1 502 63 63 LEU HD2 H 0.894 0.02 1 503 63 63 LEU C C 177.720 0.3 1 504 63 63 LEU CA C 55.071 0.3 1 505 63 63 LEU CB C 42.513 0.3 1 506 63 63 LEU CG C 26.905 0.3 1 507 63 63 LEU CD1 C 25.067 0.3 1 508 63 63 LEU CD2 C 23.522 0.3 1 509 63 63 LEU N N 123.516 0.3 1 510 64 64 GLY H H 8.351 0.02 1 511 64 64 GLY HA2 H 3.995 0.02 1 512 64 64 GLY HA3 H 3.995 0.02 1 513 64 64 GLY C C 173.616 0.3 1 514 64 64 GLY CA C 45.234 0.3 1 515 64 64 GLY N N 109.416 0.3 1 516 65 65 VAL H H 7.984 0.02 1 517 65 65 VAL HA H 4.211 0.02 1 518 65 65 VAL HB H 2.076 0.02 1 519 65 65 VAL HG1 H 0.932 0.02 1 520 65 65 VAL HG2 H 0.955 0.02 1 521 65 65 VAL C C 176.063 0.3 1 522 65 65 VAL CA C 61.770 0.3 1 523 65 65 VAL CB C 32.817 0.3 1 524 65 65 VAL CG1 C 21.504 0.3 1 525 65 65 VAL CG2 C 20.864 0.3 1 526 65 65 VAL N N 119.283 0.3 1 527 66 66 ILE H H 8.477 0.02 1 528 66 66 ILE HA H 4.484 0.02 1 529 66 66 ILE HB H 1.845 0.02 1 530 66 66 ILE HG12 H 1.196 0.02 2 531 66 66 ILE HG13 H 1.568 0.02 2 532 66 66 ILE HG2 H 0.991 0.02 1 533 66 66 ILE HD1 H 0.852 0.02 1 534 66 66 ILE CA C 58.335 0.3 1 535 66 66 ILE CB C 38.956 0.3 1 536 66 66 ILE CG1 C 27.336 0.3 1 537 66 66 ILE CG2 C 17.339 0.3 1 538 66 66 ILE CD1 C 13.220 0.3 1 539 66 66 ILE N N 127.247 0.3 1 540 67 67 PRO HA H 4.311 0.02 1 541 67 67 PRO HB2 H 1.662 0.02 2 542 67 67 PRO HB3 H 2.042 0.02 2 543 67 67 PRO HG2 H 1.948 0.02 2 544 67 67 PRO HG3 H 1.998 0.02 2 545 67 67 PRO HD2 H 3.654 0.02 2 546 67 67 PRO HD3 H 4.032 0.02 2 547 67 67 PRO C C 175.590 0.3 1 548 67 67 PRO CA C 62.615 0.3 1 549 67 67 PRO CB C 32.172 0.3 1 550 67 67 PRO CG C 27.573 0.3 1 551 67 67 PRO CD C 51.007 0.3 1 552 68 68 ARG H H 7.957 0.02 1 553 68 68 ARG HA H 4.647 0.02 1 554 68 68 ARG HB2 H 1.701 0.02 2 555 68 68 ARG HB3 H 1.905 0.02 2 556 68 68 ARG HG2 H 1.770 0.02 2 557 68 68 ARG HG3 H 1.887 0.02 2 558 68 68 ARG HD2 H 3.106 0.02 2 559 68 68 ARG HD3 H 3.213 0.02 2 560 68 68 ARG C C 175.386 0.3 1 561 68 68 ARG CA C 55.940 0.3 1 562 68 68 ARG CB C 31.997 0.3 1 563 68 68 ARG CG C 28.444 0.3 1 564 68 68 ARG CD C 43.630 0.3 1 565 68 68 ARG N N 121.130 0.3 1 566 69 69 ARG H H 8.428 0.02 1 567 69 69 ARG HA H 4.942 0.02 1 568 69 69 ARG HB2 H 1.614 0.02 2 569 69 69 ARG HB3 H 1.665 0.02 2 570 69 69 ARG HG2 H 1.581 0.02 2 571 69 69 ARG HG3 H 1.622 0.02 2 572 69 69 ARG HD2 H 3.073 0.02 1 573 69 69 ARG HD3 H 3.073 0.02 1 574 69 69 ARG C C 174.716 0.3 1 575 69 69 ARG CA C 54.372 0.3 1 576 69 69 ARG CB C 34.030 0.3 1 577 69 69 ARG CG C 27.106 0.3 1 578 69 69 ARG CD C 44.329 0.3 1 579 69 69 ARG N N 118.247 0.3 1 580 70 70 VAL H H 8.770 0.02 1 581 70 70 VAL HA H 4.854 0.02 1 582 70 70 VAL HB H 1.978 0.02 1 583 70 70 VAL HG1 H 0.759 0.02 1 584 70 70 VAL HG2 H 0.849 0.02 1 585 70 70 VAL C C 174.704 0.3 1 586 70 70 VAL CA C 61.311 0.3 1 587 70 70 VAL CB C 32.741 0.3 1 588 70 70 VAL CG1 C 21.540 0.3 1 589 70 70 VAL CG2 C 21.736 0.3 1 590 70 70 VAL N N 120.981 0.3 1 591 71 71 LEU H H 9.547 0.02 1 592 71 71 LEU HA H 5.407 0.02 1 593 71 71 LEU HB2 H 1.634 0.02 1 594 71 71 LEU HB3 H 1.429 0.02 1 595 71 71 LEU HG H 1.520 0.02 1 596 71 71 LEU HD1 H 0.762 0.02 1 597 71 71 LEU HD2 H 0.662 0.02 1 598 71 71 LEU C C 176.185 0.3 1 599 71 71 LEU CA C 53.280 0.3 1 600 71 71 LEU CB C 44.783 0.3 1 601 71 71 LEU CG C 28.457 0.3 1 602 71 71 LEU CD1 C 26.225 0.3 1 603 71 71 LEU CD2 C 24.203 0.3 1 604 71 71 LEU N N 129.030 0.3 1 605 72 72 VAL H H 8.840 0.02 1 606 72 72 VAL HA H 4.818 0.02 1 607 72 72 VAL HB H 2.400 0.02 1 608 72 72 VAL HG1 H 0.972 0.02 1 609 72 72 VAL HG2 H 0.704 0.02 1 610 72 72 VAL C C 174.231 0.3 1 611 72 72 VAL CA C 57.809 0.3 1 612 72 72 VAL CB C 35.979 0.3 1 613 72 72 VAL CG1 C 22.840 0.3 1 614 72 72 VAL CG2 C 19.290 0.3 1 615 72 72 VAL N N 111.059 0.3 1 616 73 73 HIS H H 10.034 0.02 1 617 73 73 HIS HA H 4.278 0.02 1 618 73 73 HIS HB2 H 2.930 0.02 2 619 73 73 HIS HB3 H 3.090 0.02 2 620 73 73 HIS HD2 H 7.039 0.02 1 621 73 73 HIS C C 177.744 0.3 1 622 73 73 HIS CA C 59.180 0.3 1 623 73 73 HIS CB C 31.130 0.3 1 624 73 73 HIS CD2 C 117.665 0.3 1 625 73 73 HIS N N 123.885 0.3 1 626 74 74 GLU H H 8.461 0.02 1 627 74 74 GLU HA H 3.817 0.02 1 628 74 74 GLU HB2 H 1.869 0.02 2 629 74 74 GLU HB3 H 2.022 0.02 2 630 74 74 GLU HG2 H 2.178 0.02 1 631 74 74 GLU HG3 H 2.178 0.02 1 632 74 74 GLU C C 178.110 0.3 1 633 74 74 GLU CA C 59.548 0.3 1 634 74 74 GLU CB C 29.352 0.3 1 635 74 74 GLU CG C 35.167 0.3 1 636 74 74 GLU N N 126.492 0.3 1 637 75 75 ASP H H 11.133 0.02 1 638 75 75 ASP HA H 4.578 0.02 1 639 75 75 ASP HB2 H 2.822 0.02 1 640 75 75 ASP HB3 H 2.822 0.02 1 641 75 75 ASP C C 177.533 0.3 1 642 75 75 ASP CA C 56.834 0.3 1 643 75 75 ASP CB C 40.077 0.3 1 644 75 75 ASP N N 123.403 0.3 1 645 76 76 ASP H H 8.326 0.02 1 646 76 76 ASP HA H 5.096 0.02 1 647 76 76 ASP HB2 H 2.784 0.02 2 648 76 76 ASP HB3 H 2.992 0.02 2 649 76 76 ASP C C 176.305 0.3 1 650 76 76 ASP CA C 54.166 0.3 1 651 76 76 ASP CB C 43.650 0.3 1 652 76 76 ASP N N 117.206 0.3 1 653 77 77 LEU H H 7.391 0.02 1 654 77 77 LEU HA H 3.870 0.02 1 655 77 77 LEU HB2 H 1.320 0.02 2 656 77 77 LEU HB3 H 1.952 0.02 2 657 77 77 LEU HG H 1.484 0.02 1 658 77 77 LEU HD1 H 0.807 0.02 1 659 77 77 LEU HD2 H 0.872 0.02 1 660 77 77 LEU C C 177.558 0.3 1 661 77 77 LEU CA C 58.845 0.3 1 662 77 77 LEU CB C 42.757 0.3 1 663 77 77 LEU CG C 26.647 0.3 1 664 77 77 LEU CD1 C 23.336 0.3 1 665 77 77 LEU CD2 C 25.539 0.3 1 666 77 77 LEU N N 123.133 0.3 1 667 78 78 ALA H H 9.051 0.02 1 668 78 78 ALA HA H 4.101 0.02 1 669 78 78 ALA HB H 1.476 0.02 1 670 78 78 ALA C C 181.730 0.3 1 671 78 78 ALA CA C 55.407 0.3 1 672 78 78 ALA CB C 17.703 0.3 1 673 78 78 ALA N N 121.062 0.3 1 674 79 79 GLY H H 8.834 0.02 1 675 79 79 GLY HA2 H 3.827 0.02 2 676 79 79 GLY HA3 H 3.938 0.02 2 677 79 79 GLY C C 176.626 0.3 1 678 79 79 GLY CA C 46.562 0.3 1 679 79 79 GLY N N 108.243 0.3 1 680 80 80 ALA H H 8.843 0.02 1 681 80 80 ALA HA H 3.988 0.02 1 682 80 80 ALA HB H 1.505 0.02 1 683 80 80 ALA C C 179.044 0.3 1 684 80 80 ALA CA C 54.815 0.3 1 685 80 80 ALA CB C 19.753 0.3 1 686 80 80 ALA N N 125.343 0.3 1 687 81 81 ARG H H 8.740 0.02 1 688 81 81 ARG HA H 3.844 0.02 1 689 81 81 ARG HB2 H 1.924 0.02 1 690 81 81 ARG HB3 H 1.924 0.02 1 691 81 81 ARG HG2 H 1.550 0.02 2 692 81 81 ARG HG3 H 1.939 0.02 2 693 81 81 ARG HD2 H 3.106 0.02 2 694 81 81 ARG HD3 H 3.243 0.02 2 695 81 81 ARG C C 179.792 0.3 1 696 81 81 ARG CA C 60.068 0.3 1 697 81 81 ARG CB C 30.062 0.3 1 698 81 81 ARG CG C 29.131 0.3 1 699 81 81 ARG CD C 43.646 0.3 1 700 81 81 ARG N N 117.235 0.3 1 701 82 82 ARG H H 8.081 0.02 1 702 82 82 ARG HA H 4.041 0.02 1 703 82 82 ARG HB2 H 2.013 0.02 1 704 82 82 ARG HB3 H 2.013 0.02 1 705 82 82 ARG HG2 H 1.720 0.02 1 706 82 82 ARG HG3 H 1.720 0.02 1 707 82 82 ARG HD2 H 3.277 0.02 1 708 82 82 ARG HD3 H 3.277 0.02 1 709 82 82 ARG C C 177.640 0.3 1 710 82 82 ARG CA C 59.080 0.3 1 711 82 82 ARG CB C 29.783 0.3 1 712 82 82 ARG CG C 26.896 0.3 1 713 82 82 ARG CD C 43.188 0.3 1 714 82 82 ARG N N 122.552 0.3 1 715 83 83 LEU H H 7.971 0.02 1 716 83 83 LEU HA H 4.148 0.02 1 717 83 83 LEU HB2 H 1.757 0.02 1 718 83 83 LEU HB3 H 1.757 0.02 1 719 83 83 LEU HG H 1.558 0.02 1 720 83 83 LEU HD1 H 0.907 0.02 1 721 83 83 LEU HD2 H 0.826 0.02 1 722 83 83 LEU C C 179.796 0.3 1 723 83 83 LEU CA C 57.509 0.3 1 724 83 83 LEU CB C 42.522 0.3 1 725 83 83 LEU CG C 26.680 0.3 1 726 83 83 LEU CD1 C 24.867 0.3 1 727 83 83 LEU CD2 C 25.987 0.3 1 728 83 83 LEU N N 120.310 0.3 1 729 84 84 LEU H H 8.026 0.02 1 730 84 84 LEU HA H 3.886 0.02 1 731 84 84 LEU HB2 H 1.434 0.02 2 732 84 84 LEU HB3 H 1.767 0.02 2 733 84 84 LEU HG H 1.821 0.02 1 734 84 84 LEU HD1 H 0.859 0.02 1 735 84 84 LEU HD2 H 0.782 0.02 1 736 84 84 LEU C C 179.173 0.3 1 737 84 84 LEU CA C 58.633 0.3 1 738 84 84 LEU CB C 40.763 0.3 1 739 84 84 LEU CG C 30.240 0.3 1 740 84 84 LEU CD1 C 24.919 0.3 1 741 84 84 LEU CD2 C 25.363 0.3 1 742 84 84 LEU N N 117.742 0.3 1 743 85 85 THR H H 8.307 0.02 1 744 85 85 THR HA H 3.916 0.02 1 745 85 85 THR HB H 4.437 0.02 1 746 85 85 THR HG2 H 1.303 0.02 1 747 85 85 THR C C 178.468 0.3 1 748 85 85 THR CA C 67.110 0.3 1 749 85 85 THR CB C 67.983 0.3 1 750 85 85 THR CG2 C 21.049 0.3 1 751 85 85 THR N N 118.501 0.3 1 752 86 86 ASP H H 8.762 0.02 1 753 86 86 ASP HA H 4.466 0.02 1 754 86 86 ASP HB2 H 2.724 0.02 2 755 86 86 ASP HB3 H 2.852 0.02 2 756 86 86 ASP C C 177.121 0.3 1 757 86 86 ASP CA C 56.995 0.3 1 758 86 86 ASP CB C 39.839 0.3 1 759 86 86 ASP N N 125.488 0.3 1 760 87 87 ALA H H 7.426 0.02 1 761 87 87 ALA HA H 4.460 0.02 1 762 87 87 ALA HB H 1.511 0.02 1 763 87 87 ALA C C 177.198 0.3 1 764 87 87 ALA CA C 51.799 0.3 1 765 87 87 ALA CB C 19.944 0.3 1 766 87 87 ALA N N 119.431 0.3 1 767 88 88 GLY H H 7.809 0.02 1 768 88 88 GLY HA2 H 4.106 0.02 2 769 88 88 GLY HA3 H 4.292 0.02 2 770 88 88 GLY C C 175.814 0.3 1 771 88 88 GLY CA C 46.111 0.3 1 772 88 88 GLY N N 106.098 0.3 1 773 89 89 LEU H H 8.067 0.02 1 774 89 89 LEU HA H 4.648 0.02 1 775 89 89 LEU HB2 H 1.444 0.02 2 776 89 89 LEU HB3 H 1.540 0.02 2 777 89 89 LEU HG H 1.420 0.02 1 778 89 89 LEU HD1 H 0.719 0.02 1 779 89 89 LEU HD2 H 0.795 0.02 1 780 89 89 LEU C C 177.248 0.3 1 781 89 89 LEU CA C 53.482 0.3 1 782 89 89 LEU CB C 42.303 0.3 1 783 89 89 LEU CG C 26.226 0.3 1 784 89 89 LEU CD1 C 25.788 0.3 1 785 89 89 LEU CD2 C 22.944 0.3 1 786 89 89 LEU N N 118.420 0.3 1 787 90 90 ALA H H 8.661 0.02 1 788 90 90 ALA HA H 3.929 0.02 1 789 90 90 ALA HB H 1.553 0.02 1 790 90 90 ALA C C 177.240 0.3 1 791 90 90 ALA CA C 54.636 0.3 1 792 90 90 ALA CB C 19.698 0.3 1 793 90 90 ALA N N 121.860 0.3 1 794 91 91 HIS H H 8.079 0.02 1 795 91 91 HIS HA H 4.474 0.02 1 796 91 91 HIS HB2 H 3.094 0.02 2 797 91 91 HIS HB3 H 3.221 0.02 2 798 91 91 HIS HD2 H 7.045 0.02 1 799 91 91 HIS C C 176.315 0.3 1 800 91 91 HIS CA C 57.685 0.3 1 801 91 91 HIS CB C 29.567 0.3 1 802 91 91 HIS CD2 C 118.527 0.3 1 803 91 91 HIS N N 119.525 0.3 1 804 92 92 GLU H H 7.665 0.02 1 805 92 92 GLU HA H 4.580 0.02 1 806 92 92 GLU HB2 H 1.620 0.02 2 807 92 92 GLU HB3 H 2.208 0.02 2 808 92 92 GLU HG2 H 1.656 0.02 2 809 92 92 GLU HG3 H 2.090 0.02 2 810 92 92 GLU C C 176.811 0.3 1 811 92 92 GLU CA C 55.281 0.3 1 812 92 92 GLU CB C 29.346 0.3 1 813 92 92 GLU CG C 34.382 0.3 1 814 92 92 GLU N N 118.253 0.3 1 815 93 93 LEU H H 7.340 0.02 1 816 93 93 LEU HA H 4.297 0.02 1 817 93 93 LEU HB2 H 1.903 0.02 1 818 93 93 LEU HB3 H 1.571 0.02 1 819 93 93 LEU HG H 1.803 0.02 1 820 93 93 LEU HD1 H 0.946 0.02 1 821 93 93 LEU HD2 H 0.877 0.02 1 822 93 93 LEU C C 177.431 0.3 1 823 93 93 LEU CA C 54.600 0.3 1 824 93 93 LEU CB C 41.952 0.3 1 825 93 93 LEU CG C 26.433 0.3 1 826 93 93 LEU CD1 C 25.787 0.3 1 827 93 93 LEU CD2 C 24.185 0.3 1 828 93 93 LEU N N 117.737 0.3 1 829 94 94 ARG H H 8.012 0.02 1 830 94 94 ARG HA H 4.388 0.02 1 831 94 94 ARG HB2 H 1.716 0.02 2 832 94 94 ARG HB3 H 1.832 0.02 2 833 94 94 ARG HG2 H 1.630 0.02 1 834 94 94 ARG HG3 H 1.630 0.02 1 835 94 94 ARG HD2 H 3.123 0.02 2 836 94 94 ARG HD3 H 3.237 0.02 2 837 94 94 ARG C C 176.499 0.3 1 838 94 94 ARG CA C 55.521 0.3 1 839 94 94 ARG CB C 30.652 0.3 1 840 94 94 ARG CG C 26.901 0.3 1 841 94 94 ARG CD C 43.145 0.3 1 842 94 94 ARG N N 121.604 0.3 1 843 95 95 SER H H 8.672 0.02 1 844 95 95 SER HA H 4.563 0.02 1 845 95 95 SER HB2 H 3.901 0.02 1 846 95 95 SER HB3 H 3.901 0.02 1 847 95 95 SER C C 174.079 0.3 1 848 95 95 SER CA C 57.715 0.3 1 849 95 95 SER CB C 63.533 0.3 1 850 95 95 SER N N 120.060 0.3 1 851 96 96 ASP H H 8.490 0.02 1 852 96 96 ASP HA H 4.698 0.02 1 853 96 96 ASP HB2 H 2.569 0.02 2 854 96 96 ASP HB3 H 2.770 0.02 2 855 96 96 ASP C C 175.106 0.3 1 856 96 96 ASP CA C 54.154 0.3 1 857 96 96 ASP CB C 41.412 0.3 1 858 96 96 ASP N N 123.147 0.3 1 859 97 97 ASP H H 7.989 0.02 1 860 97 97 ASP HA H 4.386 0.02 1 861 97 97 ASP HB2 H 2.570 0.02 2 862 97 97 ASP HB3 H 2.677 0.02 2 863 97 97 ASP CA C 55.623 0.3 1 864 97 97 ASP CB C 42.306 0.3 1 865 97 97 ASP N N 125.715 0.3 1 stop_ save_ save_15N _Saveframe_category spectral_peak_list _Experiment_label $3D_15N-,_13Cali-,_13Caro-resolved_NOESY _Number_of_spectral_dimensions ? _Sample_label $NC _Sample_conditions_label $conditions_1 _Text_data ; # Number of dimensions 3 #INAME 1 H #INAME 2 N #INAME 3 H 3 8.202 120.361 1.575 4 U -7.135e+02 0.00e+00 - 0 0 0 0 0 # 14 ARG H 4 8.202 120.361 1.778 3 U -1.129e+03 0.00e+00 - 0 93 94 1390 0 # 14 ARG H 5 8.202 120.361 4.067 4 U -7.667e+02 0.00e+00 - 0 0 0 0 0 # 14 ARG H 6 8.202 120.361 4.313 3 U -6.854e+02 0.00e+00 - 0 93 94 1312 0 # 14 ARG H 7 8.629 120.846 1.611 3 U -7.386e+02 0.00e+00 - 0 85 86 1655 0 # 15 GLU H 8 8.629 120.846 1.995 3 U -1.817e+03 0.00e+00 - 0 85 86 1391 0 # 15 GLU H 9 8.629 120.846 2.294 3 U -1.333e+03 0.00e+00 - 0 85 86 1659 0 # 15 GLU H 10 8.629 120.846 4.311 3 U -2.312e+03 0.00e+00 - 0 85 86 1312 0 # 15 GLU H 11 8.383 118.986 2.813 3 U -1.083e+03 0.00e+00 - 0 115 116 1428 0 # 16 ASN H 12 8.383 118.986 4.208 4 U -8.550e+02 0.00e+00 - 0 0 0 0 0 # 16 ASN H 13 6.929 112.842 2.815 4 U -9.838e+02 0.00e+00 - 0 0 0 0 0 # 16 ASN HD21 14 6.929 112.842 7.611 3 U -1.938e+04 0.00e+00 - 0 1759 1760 1761 0 # 16 ASN HD21 15 7.609 112.842 2.802 3 U -2.141e+03 0.00e+00 - 0 1761 1760 1428 0 # 16 ASN HD22 16 7.609 112.842 6.927 3 U -1.959e+04 0.00e+00 - 0 1761 1760 1759 0 # 16 ASN HD22 17 7.609 112.842 0.763 4 U -5.399e+02 0.00e+00 - 0 0 0 0 0 # 16 ASN HD22 18 7.609 112.842 1.436 4 U -5.193e+02 0.00e+00 - 0 0 0 0 0 # 16 ASN HD22 19 8.114 121.511 4.667 3 U -2.819e+03 0.00e+00 - 0 59 60 1378 0 # 17 LEU H 20 8.114 121.511 4.227 3 U -1.837e+03 0.00e+00 - 0 49 50 1338 0 # 17 LEU H 21 8.114 121.511 1.601 3 U -4.073e+03 0.00e+00 - 0 59 60 1482 0 # 17 LEU H 22 8.114 121.511 1.419 4 U -1.218e+03 0.00e+00 - 0 0 0 0 0 # 17 LEU H 23 8.061 120.226 1.617 3 U -8.450e+02 0.00e+00 - 0 0 0 0 0 # 18 TYR H 24 8.061 120.226 2.891 4 U -2.181e+03 0.00e+00 - 0 0 0 0 0 # 18 TYR H 25 8.061 120.226 4.176 3 U -2.755e+03 0.00e+00 - 0 97 98 1379 0 # 18 TYR H 26 8.061 120.226 6.898 4 U -8.480e+02 0.00e+00 - 0 0 0 0 0 # 18 TYR H 27 7.464 111.826 2.431 3 U -2.127e+03 0.00e+00 - 0 191 192 1766 0 # 20 GLN HE21 28 7.464 111.826 6.875 3 U -3.068e+04 0.00e+00 - 0 191 192 1765 0 # 20 GLN HE21 29 6.881 111.826 0.818 4 U -7.497e+02 0.00e+00 - 0 0 0 0 0 # 20 GLN HE22 30 6.881 111.826 2.414 3 U -1.035e+03 0.00e+00 - 0 1765 192 1766 0 # 20 GLN HE22 31 6.881 111.826 7.472 3 U -3.431e+04 0.00e+00 - 0 1765 192 191 0 # 20 GLN HE22 32 7.446 118.501 0.579 3 U -7.266e+02 0.00e+00 - 0 127 128 1668 0 # 23 LEU H 33 7.446 118.501 0.739 3 U -6.674e+02 0.00e+00 - 0 127 128 1763 0 # 23 LEU H 34 7.446 118.501 1.152 3 U -6.694e+02 0.00e+00 - 0 127 128 1447 0 # 23 LEU H 35 7.446 118.501 1.579 3 U -2.371e+03 0.00e+00 - 0 127 128 1484 0 # 23 LEU H 36 7.446 118.501 1.749 3 U -2.224e+03 0.00e+00 - 0 127 128 1474 0 # 23 LEU H 37 7.446 118.501 4.433 4 U -7.145e+02 0.00e+00 - 0 0 0 0 0 # 23 LEU H 38 7.446 118.501 4.611 3 U -1.245e+03 0.00e+00 - 0 127 128 1360 0 # 23 LEU H 39 7.446 118.501 8.075 4 U -6.674e+02 0.00e+00 - 0 0 0 0 0 # 23 LEU H 40 9.437 120.307 0.575 3 U -1.387e+03 0.00e+00 - 0 95 96 1668 0 # 24 ARG H 41 9.437 120.307 0.723 3 U -9.866e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG H 42 9.437 120.307 1.147 3 U -1.883e+03 0.00e+00 - 0 95 96 1447 0 # 24 ARG H 43 9.437 120.307 1.491 3 U -2.659e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG H 44 9.437 120.307 1.794 3 U -1.418e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG H 45 9.437 120.307 4.283 3 U -1.158e+03 0.00e+00 - 0 95 96 1374 0 # 24 ARG H 46 9.437 120.307 4.611 3 U -6.684e+03 0.00e+00 - 0 95 96 1360 0 # 24 ARG H 47 9.437 120.307 8.836 3 U -2.150e+03 0.00e+00 - 0 95 96 199 0 # 24 ARG H 48 8.869 122.374 0.645 3 U -1.102e+03 0.00e+00 - 0 51 52 1595 0 # 25 GLU H 49 8.869 122.374 1.179 4 U -5.463e+02 0.00e+00 - 0 51 52 1447 0 # 25 GLU H 50 8.869 122.374 1.504 3 U -1.002e+03 0.00e+00 - 0 51 52 1446 0 # 25 GLU H 51 8.869 122.374 1.941 3 U -6.483e+03 0.00e+00 - 0 51 52 1392 0 # 25 GLU H 52 8.869 122.374 4.339 3 U -1.727e+03 0.00e+00 - 0 51 52 1314 0 # 25 GLU H 53 9.548 129.290 7.554 3 U -3.209e+03 0.00e+00 - 0 3 4 179 0 # 26 LEU H 54 9.548 129.290 4.342 3 U -7.010e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU H 55 9.548 129.290 2.081 3 U -1.146e+03 0.00e+00 - 0 3 4 1670 0 # 26 LEU H 56 9.548 129.290 1.723 3 U -3.394e+03 0.00e+00 - 0 3 4 1456 0 # 26 LEU H 57 9.548 129.290 1.287 3 U -2.161e+03 0.00e+00 - 0 3 4 1429 0 # 26 LEU H 58 7.549 112.605 9.550 3 U -5.174e+03 0.00e+00 - 0 179 180 3 0 # 27 LEU H 59 7.549 112.605 8.782 3 U -2.172e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU H 60 7.549 112.605 8.028 3 U -8.759e+02 0.00e+00 - 0 179 180 57 0 # 27 LEU H 61 7.549 112.605 4.912 4 U -7.838e+02 0.00e+00 - 0 0 0 0 0 # 27 LEU H 62 7.549 112.605 4.692 3 U -2.306e+03 0.00e+00 - 0 179 180 1316 0 # 27 LEU H 63 7.549 112.605 4.345 3 U -2.198e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU H 64 7.549 112.605 1.970 3 U -2.988e+03 0.00e+00 - 0 179 180 1423 0 # 27 LEU H 65 7.549 112.605 1.724 3 U -4.397e+03 0.00e+00 - 0 179 180 1456 0 # 27 LEU H 66 7.549 112.605 1.444 3 U -2.566e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU H 67 7.549 112.605 0.863 3 U -1.470e+03 0.00e+00 - 0 179 180 1588 0 # 27 LEU H 68 7.549 112.605 0.742 4 U -3.229e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU H 69 7.549 112.605 1.300 4 U -1.325e+03 0.00e+00 - 0 179 180 1429 0 # 27 LEU H 70 7.549 112.605 1.830 3 U -3.177e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU H 71 7.549 112.605 2.085 3 U -1.361e+03 0.00e+00 - 0 179 180 1670 0 # 27 LEU H 72 8.811 119.278 0.729 3 U -1.920e+03 0.00e+00 - 0 111 112 1673 0 # 28 ARG H 73 8.811 119.278 1.443 3 U -9.000e+02 0.00e+00 - 0 111 112 1504 0 # 28 ARG H 74 8.811 119.278 1.642 4 U -2.912e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG H 75 8.811 119.278 1.804 3 U -5.583e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG H 76 8.811 119.278 2.009 3 U -1.448e+03 0.00e+00 - 0 111 112 1457 0 # 28 ARG H 77 8.811 119.278 4.693 3 U -8.476e+03 0.00e+00 - 0 111 112 1316 0 # 28 ARG H 78 8.811 119.278 5.552 3 U -1.379e+03 0.00e+00 - 0 111 112 1317 0 # 28 ARG H 79 8.881 116.182 0.731 4 U -1.598e+03 0.00e+00 - 0 0 0 0 0 # 29 THR H 80 8.881 116.182 0.921 3 U -4.061e+03 0.00e+00 - 0 157 158 1678 0 # 29 THR H 81 8.881 116.182 1.556 3 U -1.860e+03 0.00e+00 - 0 157 158 1430 0 # 29 THR H 82 8.881 116.182 1.665 3 U -1.646e+03 0.00e+00 - 0 157 158 1731 0 # 29 THR H 83 8.881 116.182 1.910 3 U -8.540e+02 0.00e+00 - 0 157 158 1756 0 # 29 THR H 84 8.881 116.182 2.025 4 U -1.470e+03 0.00e+00 - 0 0 0 0 0 # 29 THR H 85 8.881 116.182 4.359 3 U -1.257e+03 0.00e+00 - 0 157 158 1677 0 # 29 THR H 86 8.881 116.182 4.940 3 U -1.228e+03 0.00e+00 - 0 157 158 1372 0 # 29 THR H 87 8.881 116.182 5.106 3 U -7.507e+02 0.00e+00 - 0 157 158 1318 0 # 29 THR H 88 8.881 116.182 5.539 3 U -8.998e+03 0.00e+00 - 0 157 158 1317 0 # 29 THR H 89 8.881 116.182 7.962 3 U -1.416e+03 0.00e+00 - 0 157 158 71 0 # 29 THR H 90 8.530 124.415 8.946 3 U -1.224e+03 0.00e+00 - 0 29 30 31 0 # 30 ASN H 92 8.530 124.415 5.124 3 U -6.543e+02 0.00e+00 - 0 29 30 1318 0 # 30 ASN H 93 7.770 113.751 7.128 3 U -6.861e+03 0.00e+00 - 0 1694 1695 1696 0 # 55 ASN HD21 94 7.770 113.751 2.827 3 U -1.560e+03 0.00e+00 - 0 1694 1695 1421 0 # 55 ASN HD21 95 7.126 113.751 7.773 3 U -6.089e+03 0.00e+00 - 0 1696 1695 1694 0 # 55 ASN HD22 96 7.126 113.751 0.907 4 U -6.644e+02 0.00e+00 - 0 0 0 0 0 # 55 ASN HD22 97 8.957 124.163 0.929 3 U -2.775e+03 0.00e+00 - 0 31 32 1678 0 # 31 ASP H 98 8.957 124.163 2.564 3 U -3.474e+03 0.00e+00 - 0 31 32 1432 0 # 31 ASP H 99 8.957 124.163 3.148 3 U -3.908e+03 0.00e+00 - 0 31 32 1459 0 # 31 ASP H 100 8.957 124.163 4.616 3 U -1.604e+03 0.00e+00 - 0 31 32 1319 0 # 31 ASP H 101 8.957 124.163 5.130 3 U -6.573e+02 0.00e+00 - 0 31 32 1318 0 # 31 ASP H 102 8.957 124.163 8.535 3 U -1.928e+03 0.00e+00 - 0 31 32 29 0 # 31 ASP H 103 8.834 129.421 1.533 3 U -6.620e+03 0.00e+00 - 0 1 2 1394 0 # 32 ALA H 104 8.834 129.421 3.167 4 U -6.543e+02 0.00e+00 - 0 1 2 1459 0 # 32 ALA H 105 8.834 129.421 4.010 3 U -1.894e+03 0.00e+00 - 0 1 2 1320 0 # 32 ALA H 106 8.834 129.421 4.636 3 U -6.764e+03 0.00e+00 - 0 1 2 1319 0 # 32 ALA H 107 8.834 129.421 8.142 3 U -2.187e+03 0.00e+00 - 0 1 2 87 0 # 32 ALA H 109 8.141 120.563 0.960 3 U -3.556e+03 0.00e+00 - 0 87 88 1511 0 # 33 VAL H 110 8.141 120.563 1.075 3 U -9.612e+03 0.00e+00 - 0 87 88 1512 0 # 33 VAL H 111 8.141 120.563 1.538 3 U -4.078e+03 0.00e+00 - 0 87 88 1394 0 # 33 VAL H 112 8.141 120.563 2.365 3 U -1.051e+04 0.00e+00 - 0 87 88 1395 0 # 33 VAL H 113 8.141 120.563 3.713 3 U -3.880e+03 0.00e+00 - 0 87 88 1321 0 # 33 VAL H 114 8.141 120.563 4.010 3 U -1.592e+03 0.00e+00 - 0 87 88 1320 0 # 33 VAL H 115 8.141 120.563 4.617 3 U -6.814e+02 0.00e+00 - 0 87 88 1319 0 # 33 VAL H 116 8.141 120.563 7.528 3 U -6.362e+03 0.00e+00 - 0 87 88 33 0 # 33 VAL H 117 8.141 120.563 8.836 3 U -3.370e+03 0.00e+00 - 0 87 88 1 0 # 33 VAL H 118 7.531 123.907 0.959 4 U -3.241e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU H 119 7.531 123.907 1.090 3 U -1.277e+03 0.00e+00 - 0 33 34 1512 0 # 34 LEU H 120 7.531 123.907 1.432 3 U -1.309e+03 0.00e+00 - 0 33 34 1515 0 # 34 LEU H 121 7.531 123.907 1.567 3 U -5.133e+03 0.00e+00 - 0 33 34 1433 0 # 34 LEU H 122 7.531 123.907 1.949 3 U -3.760e+03 0.00e+00 - 0 33 34 1460 0 # 34 LEU H 123 7.531 123.907 2.369 3 U -3.755e+03 0.00e+00 - 0 33 34 1395 0 # 34 LEU H 124 7.531 123.907 3.713 3 U -1.154e+03 0.00e+00 - 0 33 34 1321 0 # 34 LEU H 125 7.531 123.907 4.204 3 U -2.828e+03 0.00e+00 - 0 33 34 1322 0 # 34 LEU H 126 7.531 123.907 8.141 3 U -5.567e+03 0.00e+00 - 0 33 34 87 0 # 34 LEU H 127 7.531 123.907 8.333 3 U -3.390e+03 0.00e+00 - 0 33 34 143 0 # 34 LEU H 128 8.330 117.741 0.743 3 U -2.303e+03 0.00e+00 - 0 143 144 1523 0 # 35 LEU H 129 8.330 117.741 0.940 3 U -2.743e+03 0.00e+00 - 0 0 0 0 0 # 35 LEU H 130 8.330 117.741 1.604 3 U -1.133e+04 0.00e+00 - 0 0 0 0 0 # 35 LEU H 131 8.330 117.741 1.944 3 U -3.221e+03 0.00e+00 - 0 143 144 1460 0 # 35 LEU H 132 8.330 117.741 3.725 3 U -4.005e+03 0.00e+00 - 0 143 144 1323 0 # 35 LEU H 133 8.330 117.741 4.008 3 U -2.243e+03 0.00e+00 - 0 143 144 1320 0 # 35 LEU H 134 8.330 117.741 4.207 3 U -1.349e+03 0.00e+00 - 0 143 144 1322 0 # 35 LEU H 135 8.330 117.741 7.529 3 U -3.971e+03 0.00e+00 - 0 143 144 33 0 # 35 LEU H 136 8.330 117.741 7.938 3 U -2.984e+03 0.00e+00 - 0 143 144 161 0 # 35 LEU H 137 8.330 117.741 8.850 3 U -9.525e+02 0.00e+00 - 0 143 144 1 0 # 35 LEU H 138 7.939 114.924 0.743 3 U -1.025e+03 0.00e+00 - 0 161 162 1523 0 # 36 SER H 139 7.939 114.924 0.952 3 U -9.681e+02 0.00e+00 - 0 161 162 1511 0 # 36 SER H 140 7.939 114.924 1.603 3 U -6.041e+03 0.00e+00 - 0 0 0 0 0 # 36 SER H 141 7.939 114.924 3.714 4 U -3.261e+03 0.00e+00 - 0 0 0 0 0 # 36 SER H 142 7.939 114.924 4.039 3 U -1.298e+04 0.00e+00 - 0 0 0 0 0 # 36 SER H 143 7.939 114.924 4.272 3 U -4.908e+03 0.00e+00 - 0 161 162 1324 0 # 36 SER H 144 7.939 114.924 8.869 3 U -9.085e+02 0.00e+00 - 0 161 162 119 0 # 36 SER H 145 7.939 114.924 8.328 3 U -4.374e+03 0.00e+00 - 0 161 162 143 0 # 36 SER H 146 7.939 114.924 8.123 3 U -7.885e+03 0.00e+00 - 0 161 162 17 0 # 36 SER H 147 8.114 126.104 0.959 3 U -1.518e+03 0.00e+00 - 0 17 18 1511 0 # 37 ALA H 148 8.114 126.104 1.560 3 U -1.268e+04 0.00e+00 - 0 17 18 1398 0 # 37 ALA H 149 8.114 126.104 3.730 3 U -7.597e+02 0.00e+00 - 0 0 0 0 0 # 37 ALA H 150 8.114 126.104 4.039 3 U -4.022e+03 0.00e+00 - 0 17 18 1397 0 # 37 ALA H 151 8.114 126.104 4.207 3 U -5.342e+03 0.00e+00 - 0 0 0 0 0 # 37 ALA H 152 8.114 126.104 2.119 3 U -6.037e+02 0.00e+00 - 0 17 18 1399 0 # 37 ALA H 153 8.114 126.104 8.881 3 U -4.164e+03 0.00e+00 - 0 17 18 119 0 # 37 ALA H 154 8.114 126.104 7.937 3 U -4.732e+03 0.00e+00 - 0 17 18 161 0 # 37 ALA H 155 8.875 118.905 0.742 3 U -3.410e+03 0.00e+00 - 0 119 120 1527 0 # 38 VAL H 156 8.875 118.905 0.966 3 U -6.965e+03 0.00e+00 - 0 119 120 1528 0 # 38 VAL H 157 8.875 118.905 1.421 3 U -7.557e+02 0.00e+00 - 0 119 120 1515 0 # 38 VAL H 158 8.875 118.905 1.560 3 U -4.720e+03 0.00e+00 - 0 119 120 1398 0 # 38 VAL H 159 8.875 118.905 2.103 3 U -6.395e+03 0.00e+00 - 0 119 120 1399 0 # 38 VAL H 160 8.875 118.905 3.408 3 U -3.257e+03 0.00e+00 - 0 119 120 1326 0 # 38 VAL H 161 8.875 118.905 3.740 3 U -1.131e+03 0.00e+00 - 0 119 120 1323 0 # 38 VAL H 162 8.875 118.905 4.202 3 U -1.204e+03 0.00e+00 - 0 119 120 1325 0 # 38 VAL H 163 8.875 118.905 8.293 3 U -3.297e+03 0.00e+00 - 0 119 120 223 0 # 38 VAL H 164 8.875 118.905 8.115 3 U -3.584e+03 0.00e+00 - 0 119 120 17 0 # 38 VAL H 165 8.295 106.943 0.737 3 U -2.607e+03 0.00e+00 - 0 223 224 1527 0 # 39 GLY H 166 8.295 106.943 0.965 3 U -1.630e+03 0.00e+00 - 0 223 224 1528 0 # 39 GLY H 167 8.295 106.943 1.532 3 U -1.576e+03 0.00e+00 - 0 223 224 1400 0 # 39 GLY H 168 8.295 106.943 2.104 3 U -3.382e+03 0.00e+00 - 0 223 224 1399 0 # 39 GLY H 169 8.295 106.943 3.390 3 U -5.302e+03 0.00e+00 - 0 0 0 0 0 # 39 GLY H 170 8.295 106.943 3.910 3 U -7.089e+03 0.00e+00 - 0 223 224 1389 0 # 39 GLY H 171 8.295 106.943 4.282 3 U -1.399e+03 0.00e+00 - 0 223 224 1324 0 # 39 GLY H 172 8.295 106.943 7.739 3 U -3.334e+03 0.00e+00 - 0 223 224 67 0 # 39 GLY H 173 8.295 106.943 8.881 3 U -3.931e+03 0.00e+00 - 0 223 224 119 0 # 39 GLY H 174 7.736 121.373 0.740 3 U -6.724e+02 0.00e+00 - 0 67 68 1527 0 # 40 ALA H 175 7.736 121.373 1.527 3 U -1.468e+04 0.00e+00 - 0 67 68 1400 0 # 40 ALA H 176 7.736 121.373 3.386 3 U -2.056e+03 0.00e+00 - 0 67 68 1384 0 # 40 ALA H 177 7.736 121.373 4.040 3 U -1.096e+03 0.00e+00 - 0 67 68 1397 0 # 40 ALA H 178 7.736 121.373 3.911 3 U -3.277e+03 0.00e+00 - 0 67 68 1389 0 # 40 ALA H 179 7.736 121.373 4.277 3 U -5.254e+03 0.00e+00 - 0 0 0 0 0 # 40 ALA H 180 7.736 121.373 8.295 3 U -4.561e+03 0.00e+00 - 0 67 68 223 0 # 40 ALA H 181 7.736 121.373 8.485 4 U -9.511e+02 0.00e+00 - 0 0 0 0 0 # 40 ALA H 182 7.736 121.373 7.876 3 U -7.817e+03 0.00e+00 - 0 67 68 81 0 # 40 ALA H 183 7.889 121.067 0.749 3 U -2.042e+03 0.00e+00 - 0 81 82 1496 0 # 41 LEU H 184 7.889 121.067 0.852 4 U -1.442e+03 0.00e+00 - 0 81 82 1493 0 # 41 LEU H 185 7.889 121.067 0.963 3 U -6.413e+02 0.00e+00 - 0 0 0 0 0 # 41 LEU H 186 7.889 121.067 1.335 3 U -3.185e+03 0.00e+00 - 0 81 82 1434 0 # 41 LEU H 187 7.889 121.067 1.532 3 U -5.021e+03 0.00e+00 - 0 81 82 1400 0 # 41 LEU H 188 7.889 121.067 1.753 3 U -6.081e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU H 189 7.889 121.067 1.905 3 U -6.820e+03 0.00e+00 - 0 81 82 1461 0 # 41 LEU H 190 7.889 121.067 3.400 4 U -1.747e+03 0.00e+00 - 0 81 82 1326 0 # 41 LEU H 191 7.889 121.067 3.841 3 U -6.573e+02 0.00e+00 - 0 81 82 1329 0 # 41 LEU H 192 7.889 121.067 4.081 3 U -4.192e+03 0.00e+00 - 0 81 82 1328 0 # 41 LEU H 193 7.889 121.067 4.283 3 U -1.454e+03 0.00e+00 - 0 81 82 1327 0 # 41 LEU H 194 7.889 121.067 8.945 3 U -8.957e+02 0.00e+00 - 0 81 82 99 0 # 41 LEU H 195 7.889 121.067 8.332 3 U -4.516e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU H 196 7.889 121.067 8.156 3 U -1.908e+03 0.00e+00 - 0 81 82 221 0 # 41 LEU H 197 7.889 121.067 7.741 3 U -5.085e+03 0.00e+00 - 0 81 82 67 0 # 41 LEU H 198 7.889 121.067 5.264 4 U -5.690e+02 0.00e+00 - 0 0 0 0 0 # 41 LEU H 199 8.325 118.959 0.088 3 U -1.426e+03 0.00e+00 - 0 117 118 1533 0 # 42 LEU H 200 8.325 118.959 0.605 3 U -1.781e+03 0.00e+00 - 0 117 118 1532 0 # 42 LEU H 201 8.325 118.959 0.744 3 U -1.305e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU H 202 8.325 118.959 0.823 3 U -1.359e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU H 203 8.325 118.959 1.370 3 U -4.957e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU H 204 8.325 118.959 1.558 3 U -2.739e+03 0.00e+00 - 0 117 118 1462 0 # 42 LEU H 205 8.325 118.959 1.701 3 U -6.571e+03 0.00e+00 - 0 117 118 1530 0 # 42 LEU H 206 8.325 118.959 1.910 3 U -2.611e+03 0.00e+00 - 0 117 118 1461 0 # 42 LEU H 207 8.325 118.959 3.389 3 U -1.109e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU H 208 8.325 118.959 3.867 3 U -2.659e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU H 209 8.325 118.959 4.089 3 U -1.195e+03 0.00e+00 - 0 117 118 1328 0 # 42 LEU H 210 8.325 118.959 7.884 3 U -3.539e+03 0.00e+00 - 0 117 118 81 0 # 42 LEU H 211 8.325 118.959 8.962 3 U -2.928e+03 0.00e+00 - 0 117 118 99 0 # 42 LEU H 212 8.958 120.051 0.091 3 U -7.286e+02 0.00e+00 - 0 99 100 1533 0 # 43 ASP H 213 8.958 120.051 1.392 3 U -3.149e+03 0.00e+00 - 0 99 100 1435 0 # 43 ASP H 214 8.958 120.051 1.547 3 U -1.974e+03 0.00e+00 - 0 99 100 1462 0 # 43 ASP H 215 8.958 120.051 1.668 3 U -9.724e+02 0.00e+00 - 0 0 0 0 0 # 43 ASP H 216 8.958 120.051 2.718 3 U -3.145e+03 0.00e+00 - 0 99 100 1436 0 # 43 ASP H 217 8.958 120.051 2.901 3 U -6.130e+03 0.00e+00 - 0 99 100 1463 0 # 43 ASP H 218 8.958 120.051 3.876 3 U -1.528e+03 0.00e+00 - 0 0 0 0 0 # 43 ASP H 219 8.958 120.051 4.284 3 U -1.721e+03 0.00e+00 - 0 99 100 1327 0 # 43 ASP H 220 8.958 120.051 4.071 3 U -5.470e+02 0.00e+00 - 0 99 100 1328 0 # 43 ASP H 221 8.958 120.051 4.556 3 U -4.283e+03 0.00e+00 - 0 99 100 1330 0 # 43 ASP H 222 8.958 120.051 8.171 3 U -4.215e+03 0.00e+00 - 0 99 100 221 0 # 43 ASP H 223 8.958 120.051 8.318 3 U -5.109e+03 0.00e+00 - 0 99 100 117 0 # 43 ASP H 224 8.958 120.051 8.475 4 U -9.326e+02 0.00e+00 - 0 0 0 0 0 # 43 ASP H 225 8.958 120.051 9.439 4 U -1.321e+03 0.00e+00 - 0 0 0 0 0 # 43 ASP H 226 8.165 107.711 1.476 4 U -9.767e+02 0.00e+00 - 0 0 0 0 0 # 44 GLY H 227 8.165 107.711 2.717 3 U -1.687e+03 0.00e+00 - 0 221 222 1436 0 # 44 GLY H 228 8.165 107.711 2.901 3 U -2.972e+03 0.00e+00 - 0 221 222 1463 0 # 44 GLY H 229 8.165 107.711 3.953 3 U -1.089e+04 0.00e+00 - 0 221 222 1331 0 # 44 GLY H 230 8.165 107.711 4.273 3 U -8.269e+02 0.00e+00 - 0 221 222 1327 0 # 44 GLY H 231 8.165 107.711 4.558 3 U -1.462e+03 0.00e+00 - 0 221 222 1330 0 # 44 GLY H 232 8.165 107.711 7.311 3 U -4.209e+03 0.00e+00 - 0 221 222 53 0 # 44 GLY H 233 8.165 107.711 8.962 3 U -3.584e+03 0.00e+00 - 0 221 222 99 0 # 44 GLY H 234 7.306 122.006 0.820 3 U -1.008e+03 0.00e+00 - 0 53 54 1624 0 # 45 ALA H 235 7.306 122.006 1.456 3 U -1.077e+04 0.00e+00 - 0 53 54 1401 0 # 45 ALA H 236 7.306 122.006 3.958 3 U -3.374e+03 0.00e+00 - 0 0 0 0 0 # 45 ALA H 237 7.306 122.006 4.331 3 U -1.464e+03 0.00e+00 - 0 53 54 1333 0 # 45 ALA H 238 7.306 122.006 4.568 3 U -4.419e+03 0.00e+00 - 0 53 54 1332 0 # 45 ALA H 239 7.306 122.006 8.042 3 U -8.203e+03 0.00e+00 - 0 53 54 149 0 # 45 ALA H 240 7.306 122.006 8.156 3 U -4.317e+03 0.00e+00 - 0 53 54 221 0 # 45 ALA H 241 8.035 117.502 2.652 3 U -2.090e+03 0.00e+00 - 0 149 150 1437 0 # 46 ASP H 242 8.035 117.502 3.132 3 U -1.546e+03 0.00e+00 - 0 149 150 1464 0 # 46 ASP H 243 8.035 117.502 4.557 3 U -3.942e+03 0.00e+00 - 0 0 0 0 0 # 46 ASP H 244 8.035 117.502 4.339 3 U -1.727e+04 0.00e+00 - 0 149 150 1333 0 # 46 ASP H 245 8.035 117.502 7.310 3 U -7.851e+03 0.00e+00 - 0 149 150 53 0 # 46 ASP H 246 8.035 117.502 8.251 3 U -6.692e+03 0.00e+00 - 0 149 150 125 0 # 46 ASP H 247 8.245 118.501 0.614 3 U -6.009e+02 0.00e+00 - 0 125 126 1532 0 # 47 ILE H 248 8.245 118.501 0.795 3 U -1.815e+03 0.00e+00 - 0 125 126 1541 0 # 47 ILE H 249 8.245 118.501 0.933 4 U -2.506e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE H 250 8.245 118.501 1.452 3 U -2.534e+03 0.00e+00 - 0 125 126 1401 0 # 47 ILE H 251 8.245 118.501 1.663 4 U -1.089e+04 0.00e+00 - 0 0 0 0 0 # 47 ILE H 252 8.245 118.501 2.651 3 U -5.080e+02 0.00e+00 - 0 125 126 1437 0 # 47 ILE H 253 8.245 118.501 3.113 3 U -6.192e+02 0.00e+00 - 0 125 126 1464 0 # 47 ILE H 254 8.245 118.501 3.871 3 U -1.053e+03 0.00e+00 - 0 125 126 1329 0 # 47 ILE H 255 8.245 118.501 4.557 3 U -1.518e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE H 256 8.245 118.501 4.677 4 U -7.758e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE H 257 8.245 118.501 4.231 3 U -3.434e+03 0.00e+00 - 0 125 126 1334 0 # 47 ILE H 258 8.245 118.501 4.339 3 U -5.752e+03 0.00e+00 - 0 125 126 1333 0 # 47 ILE H 259 8.245 118.501 7.310 3 U -1.245e+03 0.00e+00 - 0 125 126 53 0 # 47 ILE H 260 8.245 118.501 7.779 4 U -1.024e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE H 261 8.245 118.501 8.044 3 U -5.607e+03 0.00e+00 - 0 125 126 149 0 # 47 ILE H 262 8.245 118.501 8.722 4 U -9.710e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE H 263 9.265 118.743 0.961 3 U -2.360e+03 0.00e+00 - 0 121 122 1539 0 # 48 GLY H 264 9.265 118.743 1.670 3 U -7.145e+02 0.00e+00 - 0 121 122 1402 0 # 48 GLY H 265 9.265 118.743 3.756 3 U -4.561e+03 0.00e+00 - 0 121 122 1380 0 # 48 GLY H 266 9.265 118.743 4.230 3 U -1.117e+04 0.00e+00 - 0 121 122 1334 0 # 48 GLY H 267 9.265 118.743 4.123 3 U -2.599e+03 0.00e+00 - 0 121 122 1385 0 # 48 GLY H 268 9.265 118.743 4.499 4 U -5.328e+02 0.00e+00 - 0 0 0 0 0 # 48 GLY H 269 8.396 117.750 3.750 3 U -1.809e+03 0.00e+00 - 0 141 142 1380 0 # 49 HIS H 270 8.396 117.750 4.122 3 U -4.107e+03 0.00e+00 - 0 141 142 1385 0 # 49 HIS H 271 8.396 117.750 5.467 3 U -1.363e+03 0.00e+00 - 0 141 142 1335 0 # 49 HIS H 272 8.816 121.062 0.066 4 U -6.002e+02 0.00e+00 - 0 77 78 1533 0 # 50 LEU H 273 8.816 121.062 0.741 4 U -1.877e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU H 274 8.816 121.062 0.960 3 U -1.072e+03 0.00e+00 - 0 77 78 1598 0 # 50 LEU H 275 8.816 121.062 1.484 3 U -2.526e+03 0.00e+00 - 0 77 78 1466 0 # 50 LEU H 276 8.816 121.062 1.633 3 U -1.279e+03 0.00e+00 - 0 77 78 1480 0 # 50 LEU H 277 8.816 121.062 1.387 3 U -2.178e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU H 278 8.816 121.062 2.895 3 U -3.486e+03 0.00e+00 - 0 77 78 1438 0 # 50 LEU H 279 8.816 121.062 3.064 3 U -1.911e+03 0.00e+00 - 0 77 78 1465 0 # 50 LEU H 280 8.816 121.062 4.683 3 U -1.644e+03 0.00e+00 - 0 77 78 1336 0 # 50 LEU H 281 8.816 121.062 4.913 4 U -8.886e+02 0.00e+00 - 0 0 0 0 0 # 50 LEU H 282 8.816 121.062 5.470 3 U -7.214e+03 0.00e+00 - 0 77 78 1335 0 # 50 LEU H 283 8.816 121.062 9.054 4 U -1.363e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU H 284 8.816 121.062 9.547 3 U -2.397e+03 0.00e+00 - 0 77 78 5 0 # 50 LEU H 285 8.630 123.893 0.832 3 U -1.931e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL H 286 8.630 123.893 1.101 3 U -2.579e+03 0.00e+00 - 0 37 38 1549 0 # 51 VAL H 287 8.630 123.893 1.477 4 U -1.182e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL H 288 8.630 123.893 2.075 3 U -3.197e+03 0.00e+00 - 0 37 38 1425 0 # 51 VAL H 289 8.630 123.893 4.687 3 U -7.680e+03 0.00e+00 - 0 37 38 1336 0 # 51 VAL H 290 8.630 123.893 5.033 3 U -1.021e+03 0.00e+00 - 0 37 38 1373 0 # 51 VAL H 291 8.630 123.893 9.109 3 U -9.880e+02 0.00e+00 - 0 37 38 7 0 # 51 VAL H 292 9.121 128.180 0.873 3 U -2.454e+03 0.00e+00 - 0 0 0 0 0 # 52 LEU H 293 9.121 128.180 0.771 3 U -8.179e+02 0.00e+00 - 0 0 0 0 0 # 52 LEU H 294 9.121 128.180 1.098 3 U -7.677e+02 0.00e+00 - 0 7 8 1549 0 # 52 LEU H 295 9.121 128.180 1.514 3 U -2.815e+03 0.00e+00 - 0 0 0 0 0 # 52 LEU H 296 9.121 128.180 1.653 4 U -1.327e+03 0.00e+00 - 0 0 0 0 0 # 52 LEU H 297 9.121 128.180 5.034 3 U -5.977e+03 0.00e+00 - 0 7 8 1373 0 # 52 LEU H 298 8.673 122.869 0.862 4 U -6.864e+02 0.00e+00 - 0 45 46 1558 0 # 53 ASP H 299 8.673 122.869 1.669 3 U -6.158e+02 0.00e+00 - 0 45 46 1422 0 # 53 ASP H 300 8.673 122.869 2.649 3 U -1.052e+03 0.00e+00 - 0 45 46 1448 0 # 53 ASP H 301 8.673 122.869 2.780 3 U -5.562e+02 0.00e+00 - 0 45 46 1475 0 # 53 ASP H 302 8.691 121.062 1.941 3 U -1.962e+03 0.00e+00 - 0 79 80 1559 0 # 54 GLN H 303 8.691 121.062 2.077 3 U -1.532e+03 0.00e+00 - 0 79 80 1418 0 # 54 GLN H 304 8.691 121.062 2.314 3 U -1.343e+03 0.00e+00 - 0 79 80 1560 0 # 54 GLN H 305 8.691 121.062 2.622 3 U -8.380e+02 0.00e+00 - 0 79 80 1448 0 # 54 GLN H 306 8.691 121.062 4.294 3 U -1.319e+03 0.00e+00 - 0 79 80 1358 0 # 54 GLN H 307 7.495 111.373 2.313 3 U -2.888e+03 0.00e+00 - 0 1689 1690 1560 0 # 54 GLN HE21 308 7.495 111.373 6.846 3 U -2.872e+04 0.00e+00 - 0 1689 1690 1691 0 # 54 GLN HE21 309 7.495 111.373 7.749 4 U -1.321e+03 0.00e+00 - 0 0 0 0 0 # 54 GLN HE21 310 7.495 111.373 8.069 4 U -9.298e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE21 311 7.495 111.373 8.727 4 U -9.014e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE21 312 6.847 111.373 0.858 4 U -5.080e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE22 313 6.847 111.373 2.317 3 U -1.375e+03 0.00e+00 - 0 1691 1690 1560 0 # 54 GLN HE22 314 6.847 111.373 7.500 3 U -2.780e+04 0.00e+00 - 0 1691 1690 1689 0 # 54 GLN HE22 315 6.847 111.373 8.087 4 U -5.612e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE22 316 6.847 111.373 8.322 4 U -5.832e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE22 317 6.847 111.373 8.546 4 U -5.328e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE22 318 8.569 119.799 2.050 4 U -7.095e+02 0.00e+00 - 0 103 104 1418 0 # 55 ASN H 319 8.569 119.799 4.292 3 U -1.542e+03 0.00e+00 - 0 103 104 1358 0 # 55 ASN H 320 8.569 119.799 2.832 3 U -1.506e+03 0.00e+00 - 0 103 104 1421 0 # 55 ASN H 321 7.584 111.055 0.951 4 U -5.016e+02 0.00e+00 - 0 1682 1683 1678 0 # 30 ASN HD21 322 7.584 111.055 2.052 4 U -5.505e+02 0.00e+00 - 0 1682 1683 1730 0 # 30 ASN HD21 323 7.584 111.055 2.668 4 U -6.734e+02 0.00e+00 - 0 1682 1683 1458 0 # 30 ASN HD21 324 7.584 111.055 2.836 3 U -1.482e+03 0.00e+00 - 0 1682 1683 1431 0 # 30 ASN HD21 325 7.584 111.055 6.813 3 U -1.786e+04 0.00e+00 - 0 1682 1683 1684 0 # 30 ASN HD21 326 6.807 111.055 0.907 4 U -5.945e+02 0.00e+00 - 0 1684 1683 1678 0 # 30 ASN HD22 327 6.807 111.055 2.677 4 U -5.839e+02 0.00e+00 - 0 1684 1683 1458 0 # 30 ASN HD22 328 6.807 111.055 2.838 3 U -1.072e+03 0.00e+00 - 0 1684 1683 1431 0 # 30 ASN HD22 329 6.807 111.055 7.586 3 U -1.963e+04 0.00e+00 - 0 1684 1683 1682 0 # 30 ASN HD22 330 8.368 120.302 2.059 3 U -7.888e+02 0.00e+00 - 0 65 66 1420 0 # 56 MET H 331 8.368 120.302 2.588 4 U -6.814e+02 0.00e+00 - 0 65 66 1701 0 # 56 MET H 332 8.368 120.302 4.571 3 U -5.335e+02 0.00e+00 - 0 65 66 1363 0 # 56 MET H 333 8.407 116.532 4.574 3 U -7.316e+02 0.00e+00 - 0 0 0 0 0 # 57 SER H 334 8.120 121.573 0.879 4 U -1.363e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE H 335 8.120 121.573 1.186 3 U -1.289e+03 0.00e+00 - 0 49 50 1565 0 # 58 ILE H 336 8.120 121.573 1.460 3 U -1.116e+03 0.00e+00 - 0 49 50 1564 0 # 58 ILE H 337 8.120 121.573 1.928 3 U -2.249e+03 0.00e+00 - 0 49 50 1404 0 # 58 ILE H 338 8.120 121.573 3.903 3 U -1.094e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE H 339 8.120 121.573 4.530 3 U -3.755e+03 0.00e+00 - 0 49 50 1337 0 # 58 ILE H 340 8.209 124.837 0.906 3 U -2.218e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU H 341 8.209 124.837 1.641 3 U -5.953e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU H 342 8.209 124.837 1.927 3 U -1.144e+03 0.00e+00 - 0 27 28 1404 0 # 59 LEU H 343 8.209 124.837 4.393 3 U -2.558e+03 0.00e+00 - 0 27 28 1339 0 # 59 LEU H 344 8.209 124.837 4.245 3 U -6.162e+03 0.00e+00 - 0 27 28 1338 0 # 59 LEU H 345 8.209 124.837 8.701 4 U -7.447e+02 0.00e+00 - 0 0 0 0 0 # 59 LEU H 346 8.351 121.494 0.894 3 U -6.955e+02 0.00e+00 - 0 0 0 0 0 # 60 GLU H 347 8.351 121.494 1.619 4 U -1.066e+03 0.00e+00 - 0 0 0 0 0 # 60 GLU H 348 8.351 121.494 2.024 4 U -2.215e+03 0.00e+00 - 0 61 62 1406 0 # 60 GLU H 349 8.351 121.494 2.104 4 U -1.301e+03 0.00e+00 - 0 61 62 1576 0 # 60 GLU H 350 8.351 121.494 2.279 3 U -1.375e+03 0.00e+00 - 0 61 62 1577 0 # 60 GLU H 351 8.351 121.494 4.258 3 U -2.599e+03 0.00e+00 - 0 61 62 1340 0 # 60 GLU H 352 8.351 121.494 4.384 3 U -3.800e+03 0.00e+00 - 0 61 62 1339 0 # 60 GLU H 353 8.438 109.778 3.931 3 U -1.510e+03 0.00e+00 - 0 213 214 1381 0 # 61 GLY H 354 8.438 109.778 4.116 3 U -1.387e+03 0.00e+00 - 0 213 214 1386 0 # 61 GLY H 355 8.438 109.778 4.242 3 U -1.752e+03 0.00e+00 - 0 213 214 1340 0 # 61 GLY H 356 8.149 115.445 3.918 4 U -8.009e+02 0.00e+00 - 0 0 0 0 0 # 62 SER H 357 8.319 123.516 1.696 4 U -2.916e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU H 358 8.319 123.516 3.922 3 U -8.621e+02 0.00e+00 - 0 39 40 1407 0 # 63 LEU H 359 8.319 123.516 4.513 3 U -2.956e+03 0.00e+00 - 0 39 40 1341 0 # 63 LEU H 360 8.351 109.416 1.675 3 U -7.246e+02 0.00e+00 - 0 0 0 0 0 # 64 GLY H 361 8.351 109.416 3.996 3 U -3.016e+03 0.00e+00 - 0 215 216 1361 0 # 64 GLY H 362 8.351 109.416 4.429 3 U -2.659e+03 0.00e+00 - 0 215 216 1342 0 # 64 GLY H 363 7.984 119.283 0.951 4 U -6.756e+03 0.00e+00 - 0 0 0 0 0 # 65 VAL H 364 7.984 119.283 2.077 3 U -5.109e+03 0.00e+00 - 0 113 114 1419 0 # 65 VAL H 365 7.984 119.283 3.988 3 U -7.737e+03 0.00e+00 - 0 113 114 1361 0 # 65 VAL H 366 7.984 119.283 4.203 3 U -3.036e+03 0.00e+00 - 0 113 114 1362 0 # 65 VAL H 367 7.984 119.283 8.482 3 U -2.317e+03 0.00e+00 - 0 0 0 0 0 # 65 VAL H 368 8.477 127.247 0.952 4 U -1.769e+03 0.00e+00 - 0 0 0 0 0 # 66 ILE H 369 8.477 127.247 1.195 3 U -1.137e+03 0.00e+00 - 0 9 10 1712 0 # 66 ILE H 370 8.477 127.247 1.586 3 U -1.255e+03 0.00e+00 - 0 9 10 1711 0 # 66 ILE H 371 8.477 127.247 1.847 3 U -2.042e+03 0.00e+00 - 0 9 10 1708 0 # 66 ILE H 372 8.477 127.247 2.078 3 U -6.744e+02 0.00e+00 - 0 9 10 1419 0 # 66 ILE H 373 8.477 127.247 4.212 3 U -5.599e+03 0.00e+00 - 0 9 10 1362 0 # 66 ILE H 374 8.477 127.247 4.482 3 U -1.012e+03 0.00e+00 - 0 9 10 1707 0 # 66 ILE H 375 7.957 121.130 1.697 3 U -1.253e+03 0.00e+00 - 0 0 0 0 0 # 68 ARG H 376 7.957 121.130 1.901 3 U -2.591e+03 0.00e+00 - 0 71 72 1756 0 # 68 ARG H 377 7.957 121.130 4.313 3 U -3.919e+03 0.00e+00 - 0 71 72 1733 0 # 68 ARG H 378 8.428 118.247 1.648 4 U -1.045e+03 0.00e+00 - 0 0 0 0 0 # 69 ARG H 379 8.428 118.247 1.726 4 U -8.029e+02 0.00e+00 - 0 0 0 0 0 # 69 ARG H 380 8.428 118.247 4.645 3 U -1.640e+03 0.00e+00 - 0 133 134 1736 0 # 69 ARG H 381 8.770 120.981 0.742 3 U -2.546e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL H 382 8.770 120.981 0.851 3 U -4.215e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL H 383 8.770 120.981 1.450 3 U -7.015e+02 0.00e+00 - 0 83 84 1504 0 # 70 VAL H 384 8.770 120.981 1.636 3 U -1.957e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL H 385 8.770 120.981 1.981 3 U -3.783e+03 0.00e+00 - 0 83 84 1423 0 # 70 VAL H 386 8.770 120.981 4.939 3 U -6.282e+03 0.00e+00 - 0 83 84 1372 0 # 70 VAL H 387 8.770 120.981 5.539 3 U -1.046e+03 0.00e+00 - 0 83 84 1317 0 # 70 VAL H 388 8.770 120.981 7.549 3 U -1.474e+03 0.00e+00 - 0 83 84 179 0 # 70 VAL H 389 9.547 129.030 0.656 3 U -1.522e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU H 390 9.547 129.030 0.765 4 U -5.198e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU H 391 9.547 129.030 1.116 3 U -9.511e+02 0.00e+00 - 0 5 6 1549 0 # 71 LEU H 392 9.547 129.030 1.477 4 U -2.815e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU H 393 9.547 129.030 1.641 3 U -3.101e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU H 394 9.547 129.030 1.969 3 U -1.311e+03 0.00e+00 - 0 5 6 1423 0 # 71 LEU H 395 9.547 129.030 4.852 3 U -9.578e+03 0.00e+00 - 0 5 6 1371 0 # 71 LEU H 396 9.547 129.030 5.403 3 U -2.258e+03 0.00e+00 - 0 5 6 1376 0 # 71 LEU H 397 9.547 129.030 8.809 3 U -2.099e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU H 398 9.547 129.030 9.816 4 U -1.458e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU H 399 9.547 129.030 5.021 3 U -1.089e+03 0.00e+00 - 0 5 6 1373 0 # 71 LEU H 400 8.840 111.059 0.702 3 U -5.495e+03 0.00e+00 - 0 0 0 0 0 # 72 VAL H 401 8.840 111.059 0.967 3 U -1.319e+03 0.00e+00 - 0 199 200 1598 0 # 72 VAL H 402 8.840 111.059 1.443 3 U -2.093e+03 0.00e+00 - 0 199 200 1453 0 # 72 VAL H 403 8.840 111.059 1.640 3 U -9.000e+02 0.00e+00 - 0 199 200 1480 0 # 72 VAL H 404 8.840 111.059 1.794 3 U -5.647e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL H 405 8.840 111.059 2.419 3 U -4.232e+02 0.00e+00 - 0 199 200 1427 0 # 72 VAL H 406 8.840 111.059 4.322 3 U -5.392e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL H 407 8.840 111.059 4.820 3 U -1.846e+03 0.00e+00 - 0 199 200 1375 0 # 72 VAL H 408 8.840 111.059 5.409 3 U -9.044e+03 0.00e+00 - 0 199 200 1376 0 # 72 VAL H 409 8.840 111.059 10.062 4 U -5.746e+02 0.00e+00 - 0 199 200 35 0 # 72 VAL H 410 8.840 111.059 9.572 4 U -1.072e+03 0.00e+00 - 0 199 200 5 0 # 72 VAL H 411 8.840 111.059 9.440 3 U -2.303e+03 0.00e+00 - 0 199 200 95 0 # 72 VAL H 412 8.840 111.059 9.085 4 U -1.297e+03 0.00e+00 - 0 0 0 0 0 # 72 VAL H 413 10.034 123.885 0.559 4 U -6.383e+02 0.00e+00 - 0 35 36 1668 0 # 73 HIS H 414 10.034 123.885 0.715 3 U -8.872e+02 0.00e+00 - 0 35 36 1600 0 # 73 HIS H 415 10.034 123.885 0.961 3 U -1.151e+03 0.00e+00 - 0 35 36 1598 0 # 73 HIS H 416 10.034 123.885 2.405 3 U -3.044e+03 0.00e+00 - 0 35 36 1427 0 # 73 HIS H 417 10.034 123.885 2.949 3 U -1.906e+03 0.00e+00 - 0 35 36 1601 0 # 73 HIS H 418 10.034 123.885 3.084 3 U -2.133e+03 0.00e+00 - 0 35 36 1426 0 # 73 HIS H 419 10.034 123.885 4.281 3 U -7.988e+02 0.00e+00 - 0 35 36 1374 0 # 73 HIS H 421 8.461 126.492 0.579 3 U -9.028e+02 0.00e+00 - 0 13 14 1668 0 # 74 GLU H 422 8.461 126.492 0.720 3 U -5.548e+02 0.00e+00 - 0 13 14 1763 0 # 74 GLU H 423 8.461 126.492 1.478 4 U -6.503e+02 0.00e+00 - 0 13 14 1487 0 # 74 GLU H 424 8.461 126.492 1.867 3 U -2.562e+03 0.00e+00 - 0 13 14 1454 0 # 74 GLU H 425 8.461 126.492 2.023 3 U -2.474e+03 0.00e+00 - 0 13 14 1481 0 # 74 GLU H 426 8.461 126.492 2.154 4 U -2.968e+03 0.00e+00 - 0 13 14 1603 0 # 74 GLU H 427 8.461 126.492 3.108 3 U -5.101e+02 0.00e+00 - 0 13 14 1426 0 # 74 GLU H 428 8.461 126.492 3.828 3 U -2.371e+03 0.00e+00 - 0 13 14 1377 0 # 74 GLU H 429 8.461 126.492 4.279 3 U -6.547e+03 0.00e+00 - 0 13 14 1374 0 # 74 GLU H 430 8.461 126.492 4.609 3 U -1.578e+03 0.00e+00 - 0 13 14 1360 0 # 74 GLU H 431 8.461 126.492 11.147 3 U -9.312e+02 0.00e+00 - 0 13 14 313 0 # 74 GLU H 432 8.461 126.492 9.435 3 U -5.023e+02 0.00e+00 - 0 13 14 95 0 # 74 GLU H 433 7.391 123.133 0.713 3 U -1.363e+03 0.00e+00 - 0 43 44 1600 0 # 77 LEU H 434 7.391 123.133 0.844 4 U -2.067e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU H 435 7.391 123.133 1.324 3 U -5.728e+03 0.00e+00 - 0 43 44 1441 0 # 77 LEU H 436 7.391 123.133 1.177 4 U -6.654e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU H 437 7.391 123.133 1.478 4 U -2.212e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU H 438 7.391 123.133 1.954 3 U -5.342e+03 0.00e+00 - 0 43 44 1468 0 # 77 LEU H 439 7.391 123.133 2.800 3 U -8.500e+02 0.00e+00 - 0 43 44 1440 0 # 77 LEU H 440 7.391 123.133 2.977 3 U -6.473e+02 0.00e+00 - 0 43 44 1467 0 # 77 LEU H 441 7.391 123.133 3.853 3 U -4.578e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU H 442 7.391 123.133 4.577 3 U -6.373e+02 0.00e+00 - 0 43 44 1343 0 # 77 LEU H 444 7.391 123.133 5.095 3 U -1.140e+03 0.00e+00 - 0 43 44 1344 0 # 77 LEU H 445 7.391 123.133 8.325 3 U -8.385e+03 0.00e+00 - 0 43 44 153 0 # 77 LEU H 446 7.391 123.133 8.565 4 U -6.044e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU H 447 7.391 123.133 8.833 3 U -8.787e+02 0.00e+00 - 0 43 44 217 0 # 77 LEU H 448 7.391 123.133 9.055 3 U -2.394e+03 0.00e+00 - 0 43 44 73 0 # 77 LEU H 449 11.133 123.403 2.187 3 U -5.001e+02 0.00e+00 - 0 313 314 1603 0 # 75 ASP H 450 11.133 123.403 2.817 3 U -1.576e+03 0.00e+00 - 0 313 314 1409 0 # 75 ASP H 451 11.133 123.403 4.584 3 U -6.744e+02 0.00e+00 - 0 313 314 1343 0 # 75 ASP H 452 11.133 123.403 7.774 4 U -7.226e+02 0.00e+00 - 0 0 0 0 0 # 75 ASP H 453 11.133 123.403 8.323 3 U -9.170e+02 0.00e+00 - 0 313 314 153 0 # 75 ASP H 454 11.133 123.403 8.449 3 U -5.555e+02 0.00e+00 - 0 313 314 13 0 # 75 ASP H 455 8.326 117.206 0.821 3 U -6.995e+02 0.00e+00 - 0 0 0 0 0 # 76 ASP H 456 8.326 117.206 0.709 3 U -6.137e+02 0.00e+00 - 0 153 154 1600 0 # 76 ASP H 457 8.326 117.206 2.796 3 U -4.720e+03 0.00e+00 - 0 0 0 0 0 # 76 ASP H 458 8.326 117.206 2.976 3 U -2.490e+03 0.00e+00 - 0 153 154 1467 0 # 76 ASP H 459 8.326 117.206 3.107 4 U -8.430e+02 0.00e+00 - 0 153 154 1426 0 # 76 ASP H 460 8.326 117.206 4.584 3 U -1.055e+03 0.00e+00 - 0 153 154 1343 0 # 76 ASP H 461 8.326 117.206 5.090 3 U -2.323e+03 0.00e+00 - 0 153 154 1344 0 # 76 ASP H 462 8.326 117.206 7.392 3 U -8.771e+03 0.00e+00 - 0 153 154 43 0 # 76 ASP H 463 8.326 117.206 11.131 3 U -2.130e+03 0.00e+00 - 0 153 154 313 0 # 76 ASP H 464 8.326 117.206 9.053 3 U -5.278e+02 0.00e+00 - 0 153 154 73 0 # 76 ASP H 465 8.326 117.206 8.809 4 U -6.644e+02 0.00e+00 - 0 153 154 217 0 # 76 ASP H 466 9.051 121.062 0.840 4 U -1.204e+03 0.00e+00 - 0 0 0 0 0 # 78 ALA H 467 9.051 121.062 1.316 3 U -2.334e+03 0.00e+00 - 0 73 74 1441 0 # 78 ALA H 468 9.051 121.062 1.478 3 U -1.672e+04 0.00e+00 - 0 73 74 1410 0 # 78 ALA H 469 9.051 121.062 1.958 3 U -4.300e+03 0.00e+00 - 0 73 74 1468 0 # 78 ALA H 470 9.051 121.062 3.863 3 U -1.412e+03 0.00e+00 - 0 73 74 1345 0 # 78 ALA H 471 9.051 121.062 3.957 3 U -8.520e+02 0.00e+00 - 0 0 0 0 0 # 78 ALA H 472 9.051 121.062 4.103 3 U -4.800e+03 0.00e+00 - 0 73 74 1346 0 # 78 ALA H 473 9.051 121.062 7.390 3 U -2.235e+03 0.00e+00 - 0 73 74 43 0 # 78 ALA H 474 9.051 121.062 8.317 3 U -5.541e+02 0.00e+00 - 0 73 74 153 0 # 78 ALA H 475 9.051 121.062 8.837 3 U -4.874e+03 0.00e+00 - 0 0 0 0 0 # 78 ALA H 476 9.051 121.062 9.527 4 U -9.752e+02 0.00e+00 - 0 0 0 0 0 # 78 ALA H 477 9.051 121.062 9.811 4 U -5.456e+02 0.00e+00 - 0 0 0 0 0 # 78 ALA H 478 8.834 108.243 1.478 3 U -7.362e+03 0.00e+00 - 0 217 218 1410 0 # 79 GLY H 479 8.834 108.243 4.080 4 U -1.761e+03 0.00e+00 - 0 217 218 1346 0 # 79 GLY H 480 8.834 108.243 3.829 3 U -6.025e+03 0.00e+00 - 0 217 218 1382 0 # 79 GLY H 481 8.834 108.243 3.941 3 U -8.771e+03 0.00e+00 - 0 217 218 1387 0 # 79 GLY H 483 8.834 108.243 5.102 3 U -9.014e+02 0.00e+00 - 0 217 218 1344 0 # 79 GLY H 484 8.834 108.243 9.054 3 U -4.794e+03 0.00e+00 - 0 217 218 73 0 # 79 GLY H 485 8.834 108.243 9.348 4 U -5.683e+02 0.00e+00 - 0 0 0 0 0 # 79 GLY H 486 8.843 125.343 0.783 3 U -1.977e+03 0.00e+00 - 0 25 26 1541 0 # 80 ALA H 487 8.843 125.343 0.929 4 U -9.667e+02 0.00e+00 - 0 0 0 0 0 # 80 ALA H 488 8.843 125.343 1.505 3 U -1.110e+04 0.00e+00 - 0 25 26 1411 0 # 80 ALA H 489 8.843 125.343 1.942 3 U -6.774e+02 0.00e+00 - 0 25 26 1412 0 # 80 ALA H 490 8.843 125.343 3.850 4 U -2.408e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA H 491 8.843 125.343 3.966 4 U -5.326e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA H 492 8.843 125.343 5.457 4 U -6.945e+02 0.00e+00 - 0 0 0 0 0 # 80 ALA H 493 8.843 125.343 8.334 4 U -6.614e+02 0.00e+00 - 0 0 0 0 0 # 80 ALA H 494 8.740 117.235 0.886 3 U -2.526e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG H 495 8.740 117.235 1.510 3 U -6.330e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG H 496 8.740 117.235 1.932 4 U -1.025e+04 0.00e+00 - 0 0 0 0 0 # 81 ARG H 497 8.740 117.235 3.251 3 U -6.834e+02 0.00e+00 - 0 151 152 1614 0 # 81 ARG H 498 8.740 117.235 3.849 3 U -4.374e+03 0.00e+00 - 0 151 152 1348 0 # 81 ARG H 499 8.740 117.235 3.985 3 U -1.482e+03 0.00e+00 - 0 151 152 1347 0 # 81 ARG H 500 8.740 117.235 4.105 3 U -1.281e+03 0.00e+00 - 0 151 152 1346 0 # 81 ARG H 501 8.740 117.235 6.629 4 U -7.677e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG H 502 8.740 117.235 8.081 3 U -4.027e+03 0.00e+00 - 0 151 152 47 0 # 81 ARG H 503 8.740 117.235 7.959 3 U -7.667e+02 0.00e+00 - 0 151 152 91 0 # 81 ARG H 504 8.081 122.552 1.502 3 U -9.582e+02 0.00e+00 - 0 47 48 1411 0 # 82 ARG H 505 8.081 122.552 1.748 3 U -2.486e+03 0.00e+00 - 0 0 0 0 0 # 82 ARG H 506 8.081 122.552 2.002 3 U -1.178e+04 0.00e+00 - 0 0 0 0 0 # 82 ARG H 507 8.081 122.552 3.264 3 U -5.626e+02 0.00e+00 - 0 47 48 1619 0 # 82 ARG H 508 8.081 122.552 3.842 4 U -1.982e+03 0.00e+00 - 0 0 0 0 0 # 82 ARG H 509 8.081 122.552 4.039 3 U -3.516e+03 0.00e+00 - 0 0 0 0 0 # 82 ARG H 510 8.081 122.552 8.744 3 U -3.715e+03 0.00e+00 - 0 47 48 151 0 # 82 ARG H 511 8.081 122.552 8.863 3 U -9.270e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG H 512 8.081 122.552 8.481 4 U -7.627e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG H 513 8.081 122.552 7.830 4 U -1.979e+03 0.00e+00 - 0 0 0 0 0 # 82 ARG H 514 7.971 120.310 0.862 3 U -1.900e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU H 515 7.971 120.310 1.547 3 U -2.462e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU H 516 7.971 120.310 1.758 3 U -1.472e+04 0.00e+00 - 0 91 92 1414 0 # 83 LEU H 517 7.971 120.310 2.016 3 U -5.495e+03 0.00e+00 - 0 91 92 1413 0 # 83 LEU H 518 7.971 120.310 3.832 4 U -1.253e+03 0.00e+00 - 0 91 92 1348 0 # 83 LEU H 519 7.971 120.310 4.007 3 U -2.840e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU H 520 7.971 120.310 4.152 3 U -4.997e+03 0.00e+00 - 0 91 92 1350 0 # 83 LEU H 521 7.971 120.310 5.293 4 U -5.143e+02 0.00e+00 - 0 0 0 0 0 # 83 LEU H 522 7.971 120.310 8.453 4 U -1.130e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU H 523 7.971 120.310 8.755 3 U -8.915e+02 0.00e+00 - 0 0 0 0 0 # 83 LEU H 524 7.971 120.310 9.340 4 U -7.898e+02 0.00e+00 - 0 0 0 0 0 # 83 LEU H 525 8.026 117.742 0.851 3 U -5.069e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU H 526 8.026 117.742 0.756 3 U -1.642e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU H 527 8.026 117.742 1.449 3 U -4.482e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU H 528 8.026 117.742 1.774 4 U -1.450e+04 0.00e+00 - 0 0 0 0 0 # 84 LEU H 529 8.026 117.742 3.877 3 U -4.817e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU H 530 8.026 117.742 4.144 3 U -1.478e+03 0.00e+00 - 0 145 146 1350 0 # 84 LEU H 531 8.026 117.742 4.004 3 U -1.062e+03 0.00e+00 - 0 145 146 1347 0 # 84 LEU H 532 8.026 117.742 6.650 4 U -6.108e+02 0.00e+00 - 0 0 0 0 0 # 84 LEU H 533 8.026 117.742 8.305 3 U -4.590e+03 0.00e+00 - 0 145 146 123 0 # 84 LEU H 534 8.026 117.742 8.509 4 U -1.161e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU H 535 8.026 117.742 8.767 3 U -1.205e+03 0.00e+00 - 0 145 146 23 0 # 84 LEU H 536 8.026 117.742 9.422 4 U -6.483e+02 0.00e+00 - 0 0 0 0 0 # 84 LEU H 537 8.307 118.501 0.867 3 U -1.090e+03 0.00e+00 - 0 123 124 1629 0 # 85 THR H 538 8.307 118.501 1.307 3 U -2.198e+03 0.00e+00 - 0 123 124 1632 0 # 85 THR H 539 8.307 118.501 1.428 3 U -1.426e+03 0.00e+00 - 0 123 124 1442 0 # 85 THR H 540 8.307 118.501 1.777 3 U -2.779e+03 0.00e+00 - 0 0 0 0 0 # 85 THR H 541 8.307 118.501 2.875 4 U -4.739e+02 0.00e+00 - 0 123 124 1470 0 # 85 THR H 542 8.307 118.501 3.904 3 U -4.158e+03 0.00e+00 - 0 0 0 0 0 # 85 THR H 543 8.307 118.501 4.055 3 U -1.177e+03 0.00e+00 - 0 123 124 1349 0 # 85 THR H 544 8.307 118.501 4.174 4 U -7.266e+02 0.00e+00 - 0 123 124 1350 0 # 85 THR H 545 8.307 118.501 4.441 3 U -5.487e+03 0.00e+00 - 0 123 124 1415 0 # 85 THR H 546 8.307 118.501 8.037 3 U -5.125e+03 0.00e+00 - 0 0 0 0 0 # 85 THR H 547 8.307 118.501 8.769 3 U -4.362e+03 0.00e+00 - 0 123 124 23 0 # 85 THR H 548 8.307 118.501 9.031 4 U -7.738e+02 0.00e+00 - 0 0 0 0 0 # 85 THR H 549 8.762 125.488 1.309 3 U -1.800e+03 0.00e+00 - 0 23 24 1632 0 # 86 ASP H 550 8.762 125.488 1.518 3 U -1.014e+03 0.00e+00 - 0 23 24 1416 0 # 86 ASP H 551 8.762 125.488 1.749 3 U -7.336e+02 0.00e+00 - 0 0 0 0 0 # 86 ASP H 552 8.762 125.488 2.731 3 U -3.601e+03 0.00e+00 - 0 23 24 1443 0 # 86 ASP H 553 8.762 125.488 2.858 3 U -5.945e+03 0.00e+00 - 0 23 24 1470 0 # 86 ASP H 554 8.762 125.488 3.907 3 U -1.448e+03 0.00e+00 - 0 23 24 1352 0 # 86 ASP H 555 8.762 125.488 4.038 3 U -1.181e+03 0.00e+00 - 0 23 24 1349 0 # 86 ASP H 556 8.762 125.488 4.149 3 U -8.986e+02 0.00e+00 - 0 23 24 1350 0 # 86 ASP H 557 8.762 125.488 4.455 4 U -7.510e+03 0.00e+00 - 0 0 0 0 0 # 86 ASP H 558 8.762 125.488 7.418 3 U -3.834e+03 0.00e+00 - 0 23 24 109 0 # 86 ASP H 559 8.762 125.488 7.747 4 U -4.774e+02 0.00e+00 - 0 0 0 0 0 # 86 ASP H 560 8.762 125.488 7.990 3 U -4.257e+02 0.00e+00 - 0 0 0 0 0 # 86 ASP H 561 8.762 125.488 8.307 3 U -3.305e+03 0.00e+00 - 0 23 24 123 0 # 86 ASP H 562 8.762 125.488 9.248 4 U -7.898e+02 0.00e+00 - 0 0 0 0 0 # 86 ASP H 563 7.426 119.431 0.768 3 U -8.591e+02 0.00e+00 - 0 109 110 1496 0 # 87 ALA H 564 7.426 119.431 0.881 4 U -5.179e+02 0.00e+00 - 0 109 110 1493 0 # 87 ALA H 565 7.426 119.431 1.511 3 U -1.142e+04 0.00e+00 - 0 109 110 1416 0 # 87 ALA H 566 7.426 119.431 1.989 4 U -5.236e+02 0.00e+00 - 0 0 0 0 0 # 87 ALA H 567 7.426 119.431 2.728 3 U -1.309e+03 0.00e+00 - 0 109 110 1443 0 # 87 ALA H 568 7.426 119.431 2.862 3 U -2.067e+03 0.00e+00 - 0 109 110 1470 0 # 87 ALA H 569 7.426 119.431 3.894 3 U -2.474e+03 0.00e+00 - 0 109 110 1351 0 # 87 ALA H 570 7.426 119.431 4.034 4 U -4.767e+02 0.00e+00 - 0 0 0 0 0 # 87 ALA H 571 7.426 119.431 4.134 3 U -8.430e+02 0.00e+00 - 0 109 110 1350 0 # 87 ALA H 572 7.426 119.431 4.465 3 U -5.278e+03 0.00e+00 - 0 0 0 0 0 # 87 ALA H 573 7.426 119.431 7.820 3 U -4.828e+03 0.00e+00 - 0 109 110 225 0 # 87 ALA H 574 7.426 119.431 7.936 4 U -1.211e+03 0.00e+00 - 0 0 0 0 0 # 87 ALA H 575 7.426 119.431 8.075 3 U -9.227e+02 0.00e+00 - 0 109 110 129 0 # 87 ALA H 576 7.426 119.431 8.182 4 U -8.550e+02 0.00e+00 - 0 0 0 0 0 # 87 ALA H 577 7.426 119.431 8.309 3 U -6.925e+02 0.00e+00 - 0 109 110 123 0 # 87 ALA H 578 7.426 119.431 8.771 3 U -3.687e+03 0.00e+00 - 0 109 110 23 0 # 87 ALA H 579 7.426 119.431 8.916 4 U -6.403e+02 0.00e+00 - 0 0 0 0 0 # 87 ALA H 580 7.809 106.098 1.507 3 U -2.260e+03 0.00e+00 - 0 225 226 1416 0 # 88 GLY H 581 7.809 106.098 1.407 3 U -8.731e+02 0.00e+00 - 0 225 226 1635 0 # 88 GLY H 582 7.809 106.098 3.927 3 U -1.026e+03 0.00e+00 - 0 225 226 1352 0 # 88 GLY H 583 7.809 106.098 4.109 3 U -5.350e+03 0.00e+00 - 0 225 226 1383 0 # 88 GLY H 584 7.809 106.098 4.299 3 U -3.374e+03 0.00e+00 - 0 225 226 1388 0 # 88 GLY H 585 7.809 106.098 4.459 3 U -2.184e+03 0.00e+00 - 0 225 226 1354 0 # 88 GLY H 586 7.809 106.098 7.430 3 U -3.133e+03 0.00e+00 - 0 225 226 109 0 # 88 GLY H 587 7.809 106.098 7.559 4 U -8.571e+02 0.00e+00 - 0 0 0 0 0 # 88 GLY H 588 7.809 106.098 8.071 3 U -5.656e+03 0.00e+00 - 0 225 226 129 0 # 88 GLY H 589 7.809 106.098 8.659 3 U -5.902e+02 0.00e+00 - 0 225 226 55 0 # 88 GLY H 590 7.809 106.098 8.783 4 U -5.952e+02 0.00e+00 - 0 225 226 23 0 # 88 GLY H 591 8.067 118.420 0.746 4 U -1.355e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU H 592 8.067 118.420 1.440 3 U -7.305e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU H 593 8.067 118.420 1.542 3 U -5.254e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU H 594 8.067 118.420 3.926 3 U -2.082e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU H 595 8.067 118.420 4.113 3 U -1.528e+03 0.00e+00 - 0 129 130 1383 0 # 89 LEU H 596 8.067 118.420 4.285 3 U -9.454e+02 0.00e+00 - 0 129 130 1388 0 # 89 LEU H 597 8.067 118.420 4.478 4 U -5.839e+02 0.00e+00 - 0 129 130 1354 0 # 89 LEU H 598 8.067 118.420 4.645 3 U -1.971e+03 0.00e+00 - 0 129 130 1355 0 # 89 LEU H 599 8.067 118.420 7.800 3 U -3.326e+03 0.00e+00 - 0 129 130 225 0 # 89 LEU H 600 8.067 118.420 7.426 3 U -7.878e+02 0.00e+00 - 0 129 130 109 0 # 89 LEU H 601 8.067 118.420 8.665 3 U -2.996e+03 0.00e+00 - 0 129 130 55 0 # 89 LEU H 602 8.067 118.420 8.800 4 U -9.256e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU H 603 8.661 121.860 0.774 4 U -6.754e+02 0.00e+00 - 0 55 56 1638 0 # 90 ALA H 604 8.661 121.860 0.922 4 U -5.250e+02 0.00e+00 - 0 55 56 1645 0 # 90 ALA H 605 8.661 121.860 1.069 4 U -4.512e+02 0.00e+00 - 0 0 0 0 0 # 90 ALA H 606 8.661 121.860 1.330 4 U -6.764e+02 0.00e+00 - 0 55 56 1632 0 # 90 ALA H 607 8.661 121.860 1.558 4 U -9.816e+03 0.00e+00 - 0 0 0 0 0 # 90 ALA H 608 8.661 121.860 3.930 4 U -6.218e+03 0.00e+00 - 0 0 0 0 0 # 90 ALA H 609 8.661 121.860 4.639 3 U -2.323e+03 0.00e+00 - 0 55 56 1355 0 # 90 ALA H 610 8.661 121.860 8.069 4 U -3.338e+03 0.00e+00 - 0 55 56 129 0 # 90 ALA H 611 8.079 119.525 2.896 4 U -6.664e+02 0.00e+00 - 0 0 0 0 0 # 91 HIS H 612 8.079 119.525 3.059 4 U -1.448e+03 0.00e+00 - 0 105 106 1452 0 # 91 HIS H 613 8.079 119.525 3.194 4 U -7.878e+02 0.00e+00 - 0 105 106 1479 0 # 91 HIS H 614 8.079 119.525 4.411 4 U -1.945e+03 0.00e+00 - 0 0 0 0 0 # 91 HIS H 615 7.665 118.253 1.641 3 U -4.896e+03 0.00e+00 - 0 0 0 0 0 # 92 GLU H 616 7.665 118.253 2.075 3 U -1.085e+03 0.00e+00 - 0 139 140 1646 0 # 92 GLU H 617 7.665 118.253 2.212 3 U -1.715e+03 0.00e+00 - 0 139 140 1478 0 # 92 GLU H 618 7.665 118.253 3.917 3 U -4.973e+02 0.00e+00 - 0 139 140 1742 0 # 92 GLU H 619 7.665 118.253 4.465 3 U -7.577e+02 0.00e+00 - 0 139 140 1369 0 # 92 GLU H 620 7.665 118.253 4.585 3 U -2.118e+03 0.00e+00 - 0 139 140 1368 0 # 92 GLU H 621 7.665 118.253 7.341 3 U -3.709e+03 0.00e+00 - 0 139 140 147 0 # 92 GLU H 622 7.665 118.253 7.480 4 U -1.195e+03 0.00e+00 - 0 0 0 0 0 # 92 GLU H 623 7.340 117.737 0.711 3 U -4.774e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU H 624 7.340 117.737 0.905 4 U -1.293e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU H 625 7.340 117.737 1.567 3 U -2.747e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU H 626 7.340 117.737 1.805 3 U -5.061e+03 0.00e+00 - 0 147 148 1641 0 # 93 LEU H 627 7.340 117.737 1.897 3 U -4.862e+03 0.00e+00 - 0 147 148 1477 0 # 93 LEU H 628 7.340 117.737 3.930 3 U -7.186e+02 0.00e+00 - 0 147 148 1742 0 # 93 LEU H 629 7.340 117.737 4.300 3 U -2.002e+03 0.00e+00 - 0 147 148 1367 0 # 93 LEU H 630 7.340 117.737 4.586 3 U -1.920e+03 0.00e+00 - 0 147 148 1368 0 # 93 LEU H 631 7.340 117.737 7.665 3 U -3.550e+03 0.00e+00 - 0 147 148 139 0 # 93 LEU H 632 7.340 117.737 7.817 4 U -6.814e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU H 633 8.012 121.604 0.716 3 U -6.915e+02 0.00e+00 - 0 0 0 0 0 # 94 ARG H 634 8.012 121.604 0.878 3 U -2.133e+03 0.00e+00 - 0 57 58 1643 0 # 94 ARG H 635 8.012 121.604 1.568 3 U -2.486e+03 0.00e+00 - 0 57 58 1450 0 # 94 ARG H 636 8.012 121.604 1.702 3 U -5.455e+03 0.00e+00 - 0 57 58 1449 0 # 94 ARG H 637 8.012 121.604 1.831 3 U -5.816e+03 0.00e+00 - 0 0 0 0 0 # 94 ARG H 638 8.012 121.604 3.112 3 U -4.526e+02 0.00e+00 - 0 57 58 1746 0 # 94 ARG H 639 8.012 121.604 4.301 3 U -1.081e+04 0.00e+00 - 0 57 58 1367 0 # 94 ARG H 640 8.012 121.604 4.407 3 U -3.755e+03 0.00e+00 - 0 57 58 1366 0 # 94 ARG H 641 8.012 121.604 4.645 4 U -1.786e+03 0.00e+00 - 0 57 58 1316 0 # 94 ARG H 642 8.012 121.604 6.657 4 U -5.158e+02 0.00e+00 - 0 0 0 0 0 # 94 ARG H 643 8.012 121.604 7.337 3 U -7.396e+02 0.00e+00 - 0 57 58 147 0 # 94 ARG H 644 8.012 121.604 8.809 3 U -7.196e+02 0.00e+00 - 0 57 58 111 0 # 94 ARG H 645 8.672 120.060 1.669 4 U -6.333e+02 0.00e+00 - 0 0 0 0 0 # 95 SER H 646 8.672 120.060 3.904 3 U -6.165e+02 0.00e+00 - 0 101 102 1417 0 # 95 SER H 647 8.672 120.060 4.393 3 U -1.897e+03 0.00e+00 - 0 101 102 1366 0 # 95 SER H 648 8.672 120.060 4.539 4 U -4.682e+02 0.00e+00 - 0 101 102 1356 0 # 95 SER H 649 8.490 123.147 2.575 3 U -1.803e+03 0.00e+00 - 0 41 42 1445 0 # 96 ASP H 650 8.490 123.147 2.777 3 U -5.675e+02 0.00e+00 - 0 41 42 1472 0 # 96 ASP H 651 8.490 123.147 3.907 3 U -1.184e+03 0.00e+00 - 0 41 42 1417 0 # 96 ASP H 652 8.490 123.147 4.571 3 U -3.618e+03 0.00e+00 - 0 41 42 1356 0 # 96 ASP H 653 8.490 123.147 8.700 4 U -6.945e+02 0.00e+00 - 0 41 42 101 0 # 96 ASP H 654 8.490 123.147 9.946 4 U -5.016e+02 0.00e+00 - 0 0 0 0 0 # 96 ASP H 655 7.989 125.715 2.568 3 U -3.129e+03 0.00e+00 - 0 0 0 0 0 # 97 ASP H 656 7.989 125.715 2.783 3 U -1.480e+03 0.00e+00 - 0 19 20 1472 0 # 97 ASP H 657 7.989 125.715 3.903 3 U -1.006e+03 0.00e+00 - 0 19 20 1417 0 # 97 ASP H 658 7.989 125.715 4.714 3 U -5.415e+03 0.00e+00 - 0 19 20 1357 0 # 97 ASP H 659 7.989 125.715 5.354 4 U -1.448e+03 0.00e+00 - 0 0 0 0 0 # 97 ASP H 660 9.437 120.307 7.439 3 U -4.966e+02 0.00e+00 - 0 95 96 127 0 # 24 ARG H 661 9.437 120.307 5.401 3 U -4.604e+02 0.00e+00 - 0 95 96 1376 0 # 24 ARG H 662 9.437 120.307 3.332 4 U -5.711e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG H 663 9.437 120.307 1.610 3 U -1.102e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG H 664 7.446 118.501 7.855 4 U -6.644e+02 0.00e+00 - 0 0 0 0 0 # 23 LEU H 665 8.869 122.374 1.640 4 U -4.540e+02 0.00e+00 - 0 0 0 0 0 # 25 GLU H 666 8.869 122.374 3.301 3 U -4.647e+02 0.00e+00 - 0 51 52 1489 0 # 25 GLU H 667 8.869 122.374 6.874 4 U -5.874e+02 0.00e+00 - 0 0 0 0 0 # 25 GLU H 668 8.869 122.374 9.543 3 U -5.548e+02 0.00e+00 - 0 51 52 3 0 # 25 GLU H 669 9.548 129.290 0.876 3 U -1.468e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU H 670 9.548 129.290 1.838 3 U -1.163e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU H 671 7.549 112.605 8.321 4 U -4.370e+02 0.00e+00 - 0 0 0 0 0 # 27 LEU H 672 7.549 112.605 7.741 4 U -1.566e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU H 673 7.549 112.605 5.550 3 U -4.257e+02 0.00e+00 - 0 179 180 1317 0 # 27 LEU H 674 8.811 119.278 1.541 3 U -1.574e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG H 675 8.811 119.278 7.533 3 U -5.988e+02 0.00e+00 - 0 111 112 179 0 # 28 ARG H 676 8.811 119.278 9.300 4 U -8.943e+02 0.00e+00 - 0 0 0 0 0 # 28 ARG H 677 8.811 119.278 9.549 4 U -5.995e+02 0.00e+00 - 0 0 0 0 0 # 28 ARG H 678 8.881 116.182 8.643 4 U -5.753e+02 0.00e+00 - 0 0 0 0 0 # 29 THR H 679 8.530 124.415 4.972 4 U -4.654e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN H 680 7.126 113.751 2.838 3 U -4.789e+02 0.00e+00 - 0 1696 1695 1421 0 # 55 ASN HD22 681 8.957 124.163 4.364 3 U -4.307e+02 0.00e+00 - 0 31 32 1677 0 # 31 ASP H 682 8.957 124.163 6.812 4 U -4.047e+02 0.00e+00 - 0 0 0 0 0 # 31 ASP H 683 8.834 129.421 7.538 3 U -4.384e+02 0.00e+00 - 0 1 2 33 0 # 32 ALA H 684 8.141 120.563 1.179 4 U -1.253e+03 0.00e+00 - 0 0 0 0 0 # 33 VAL H 685 8.141 120.563 7.392 4 U -1.041e+03 0.00e+00 - 0 0 0 0 0 # 33 VAL H 686 8.141 120.563 7.663 4 U -8.651e+02 0.00e+00 - 0 0 0 0 0 # 33 VAL H 687 8.141 120.563 9.629 4 U -5.448e+02 0.00e+00 - 0 0 0 0 0 # 33 VAL H 688 8.141 120.563 9.512 4 U -4.519e+02 0.00e+00 - 0 0 0 0 0 # 33 VAL H 689 8.141 120.563 8.621 4 U -6.563e+02 0.00e+00 - 0 0 0 0 0 # 33 VAL H 690 7.531 123.907 2.519 4 U -5.966e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU H 691 7.531 123.907 3.984 3 U -5.952e+02 0.00e+00 - 0 33 34 1320 0 # 34 LEU H 692 7.531 123.907 3.166 4 U -4.512e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU H 693 7.531 123.907 7.993 4 U -8.019e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU H 694 8.330 117.741 1.426 3 U -1.202e+03 0.00e+00 - 0 143 144 1515 0 # 35 LEU H 695 8.330 117.741 9.072 4 U -6.066e+02 0.00e+00 - 0 0 0 0 0 # 35 LEU H 696 8.330 117.741 9.733 4 U -5.101e+02 0.00e+00 - 0 0 0 0 0 # 35 LEU H 697 7.939 114.924 0.602 4 U -4.252e+02 0.00e+00 - 0 0 0 0 0 # 36 SER H 698 7.939 114.924 4.148 4 U -1.508e+03 0.00e+00 - 0 0 0 0 0 # 36 SER H 699 7.939 114.924 5.428 4 U -5.264e+02 0.00e+00 - 0 0 0 0 0 # 36 SER H 700 7.939 114.924 6.568 4 U -5.888e+02 0.00e+00 - 0 0 0 0 0 # 36 SER H 701 7.939 114.924 6.763 4 U -4.987e+02 0.00e+00 - 0 0 0 0 0 # 36 SER H 702 8.114 126.104 9.355 4 U -5.853e+02 0.00e+00 - 0 0 0 0 0 # 37 ALA H 703 8.114 126.104 8.633 4 U -4.860e+02 0.00e+00 - 0 0 0 0 0 # 37 ALA H 704 8.114 126.104 9.011 4 U -6.995e+02 0.00e+00 - 0 0 0 0 0 # 37 ALA H 705 8.875 118.905 1.069 4 U -1.147e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL H 706 8.875 118.905 0.864 3 U -8.773e+02 0.00e+00 - 0 0 0 0 0 # 38 VAL H 707 8.875 118.905 6.213 4 U -5.307e+02 0.00e+00 - 0 0 0 0 0 # 38 VAL H 708 8.295 106.943 0.854 4 U -6.363e+02 0.00e+00 - 0 223 224 1493 0 # 39 GLY H 709 8.295 106.943 3.743 4 U -7.517e+02 0.00e+00 - 0 223 224 1323 0 # 39 GLY H 710 8.295 106.943 4.044 3 U -9.483e+02 0.00e+00 - 0 223 224 1397 0 # 39 GLY H 711 8.295 106.943 4.177 4 U -4.994e+02 0.00e+00 - 0 223 224 1325 0 # 39 GLY H 712 8.295 106.943 7.883 3 U -6.443e+02 0.00e+00 - 0 223 224 81 0 # 39 GLY H 713 7.736 121.373 1.302 4 U -4.604e+02 0.00e+00 - 0 0 0 0 0 # 40 ALA H 714 7.736 121.373 4.156 4 U -8.199e+02 0.00e+00 - 0 67 68 1325 0 # 40 ALA H 715 7.889 121.067 1.666 4 U -1.795e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU H 716 7.889 121.067 9.271 4 U -4.739e+02 0.00e+00 - 0 0 0 0 0 # 41 LEU H 717 8.325 118.959 4.223 4 U -4.237e+02 0.00e+00 - 0 0 0 0 0 # 42 LEU H 718 8.325 118.959 5.863 4 U -5.150e+02 0.00e+00 - 0 0 0 0 0 # 42 LEU H 719 8.325 118.959 9.085 4 U -8.259e+02 0.00e+00 - 0 0 0 0 0 # 42 LEU H 720 8.958 120.051 0.824 3 U -4.959e+02 0.00e+00 - 0 0 0 0 0 # 43 ASP H 721 8.958 120.051 7.882 3 U -5.945e+02 0.00e+00 - 0 99 100 81 0 # 43 ASP H 722 8.165 107.711 4.090 3 U -1.979e+03 0.00e+00 - 0 221 222 1328 0 # 44 GLY H 723 8.165 107.711 8.808 4 U -7.577e+02 0.00e+00 - 0 0 0 0 0 # 44 GLY H 724 7.306 122.006 0.906 3 U -7.095e+02 0.00e+00 - 0 53 54 1622 0 # 45 ALA H 725 7.306 122.006 1.942 4 U -5.910e+02 0.00e+00 - 0 0 0 0 0 # 45 ALA H 726 7.306 122.006 4.091 3 U -7.166e+02 0.00e+00 - 0 53 54 1328 0 # 45 ALA H 727 8.245 118.501 4.089 4 U -5.342e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE H 728 8.245 118.501 8.965 3 U -6.895e+02 0.00e+00 - 0 125 126 99 0 # 47 ILE H 729 9.265 118.743 0.787 3 U -5.207e+02 0.00e+00 - 0 121 122 1541 0 # 48 GLY H 730 8.396 117.750 3.058 3 U -4.562e+02 0.00e+00 - 0 141 142 1465 0 # 49 HIS H 731 8.396 117.750 9.244 4 U -6.151e+02 0.00e+00 - 0 141 142 121 0 # 49 HIS H 732 8.396 117.750 8.871 4 U -5.519e+02 0.00e+00 - 0 0 0 0 0 # 49 HIS H 733 8.816 121.062 1.107 4 U -5.555e+02 0.00e+00 - 0 77 78 1549 0 # 50 LEU H 734 8.816 121.062 4.805 3 U -1.022e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU H 735 8.816 121.062 9.311 4 U -6.232e+02 0.00e+00 - 0 0 0 0 0 # 50 LEU H 736 8.630 123.893 0.986 4 U -6.108e+02 0.00e+00 - 0 0 0 0 0 # 51 VAL H 737 8.630 123.893 4.883 4 U -5.321e+02 0.00e+00 - 0 37 38 1371 0 # 51 VAL H 738 9.121 128.180 2.092 3 U -4.547e+02 0.00e+00 - 0 7 8 1425 0 # 52 LEU H 739 8.673 122.869 0.959 4 U -4.312e+02 0.00e+00 - 0 45 46 1713 0 # 53 ASP H 740 8.691 121.062 1.681 4 U -4.252e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN H 741 8.691 121.062 1.765 4 U -4.533e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN H 742 8.691 121.062 2.765 3 U -4.774e+02 0.00e+00 - 0 79 80 1475 0 # 54 GLN H 743 7.495 111.373 0.855 4 U -4.427e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE21 744 7.495 111.373 8.318 4 U -6.002e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE21 745 6.847 111.373 2.023 4 U -4.668e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE22 746 7.584 111.055 7.328 4 U -5.413e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HD21 747 7.584 111.055 7.066 4 U -4.923e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HD21 748 6.807 111.055 7.066 4 U -6.804e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HD22 749 8.368 120.302 2.790 4 U -4.625e+02 0.00e+00 - 0 65 66 1421 0 # 56 MET H 750 8.368 120.302 4.672 3 U -9.085e+02 0.00e+00 - 0 65 66 1364 0 # 56 MET H 751 8.368 120.302 4.967 4 U -5.718e+02 0.00e+00 - 0 0 0 0 0 # 56 MET H 752 8.368 120.302 8.136 4 U -5.349e+02 0.00e+00 - 0 0 0 0 0 # 56 MET H 754 8.407 116.532 3.904 3 U -4.217e+02 0.00e+00 - 0 155 156 1403 0 # 57 SER H 755 8.120 121.573 6.256 4 U -5.619e+02 0.00e+00 - 0 0 0 0 0 # 58 ILE H 756 8.120 121.573 8.587 4 U -5.328e+02 0.00e+00 - 0 0 0 0 0 # 58 ILE H 757 8.438 109.778 2.014 3 U -1.700e+02 0.00e+00 - 0 213 214 1406 0 # 61 GLY H 758 8.319 123.516 0.874 4 U -4.017e+02 0.00e+00 - 0 39 40 1582 0 # 63 LEU H 759 8.319 123.516 4.404 3 U -7.025e+02 0.00e+00 - 0 39 40 1342 0 # 63 LEU H 760 8.351 109.416 5.079 4 U -4.888e+02 0.00e+00 - 0 0 0 0 0 # 64 GLY H 762 7.957 121.130 8.885 3 U -6.158e+02 0.00e+00 - 0 71 72 157 0 # 68 ARG H 763 8.428 118.247 3.086 3 U -5.314e+02 0.00e+00 - 0 133 134 1722 0 # 69 ARG H 764 8.428 118.247 8.867 3 U -4.874e+02 0.00e+00 - 0 0 0 0 0 # 69 ARG H 765 8.428 118.247 9.114 4 U -4.562e+02 0.00e+00 - 0 133 134 7 0 # 69 ARG H 766 8.770 120.981 0.956 3 U -9.596e+02 0.00e+00 - 0 83 84 1678 0 # 70 VAL H 767 8.770 120.981 1.812 3 U -6.674e+02 0.00e+00 - 0 83 84 1393 0 # 70 VAL H 768 8.770 120.981 4.833 3 U -1.945e+03 0.00e+00 - 0 83 84 1371 0 # 70 VAL H 769 8.770 120.981 9.553 4 U -1.036e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL H 770 9.547 129.030 5.156 4 U -6.744e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU H 771 9.547 129.030 9.290 4 U -7.477e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU H 772 8.840 111.059 1.287 3 U -5.186e+02 0.00e+00 - 0 199 200 1429 0 # 72 VAL H 773 10.034 123.885 6.110 4 U -5.299e+02 0.00e+00 - 0 0 0 0 0 # 73 HIS H 774 10.034 123.885 6.874 4 U -4.533e+02 0.00e+00 - 0 0 0 0 0 # 73 HIS H 775 8.326 117.206 1.329 3 U -5.001e+02 0.00e+00 - 0 153 154 1441 0 # 76 ASP H 776 8.326 117.206 3.833 3 U -4.533e+02 0.00e+00 - 0 153 154 1377 0 # 76 ASP H 778 7.391 123.133 7.909 4 U -5.115e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU H 779 9.051 121.062 6.547 4 U -4.853e+02 0.00e+00 - 0 0 0 0 0 # 78 ALA H 780 8.834 108.243 0.812 3 U -4.597e+02 0.00e+00 - 0 217 218 1541 0 # 79 GLY H 781 8.843 125.343 1.758 3 U -4.491e+02 0.00e+00 - 0 25 26 1414 0 # 80 ALA H 782 8.843 125.343 5.099 3 U -4.881e+02 0.00e+00 - 0 25 26 1344 0 # 80 ALA H 783 8.740 117.235 0.745 3 U -6.137e+02 0.00e+00 - 0 151 152 1501 0 # 81 ARG H 784 8.081 122.552 0.719 3 U -4.980e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG H 785 8.081 122.552 1.901 4 U -4.794e+03 0.00e+00 - 0 0 0 0 0 # 82 ARG H 786 7.971 120.310 1.881 4 U -2.104e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU H 787 7.971 120.310 3.270 3 U -5.392e+02 0.00e+00 - 0 91 92 1619 0 # 83 LEU H 788 8.026 117.742 1.573 3 U -1.596e+03 0.00e+00 - 0 145 146 1621 0 # 84 LEU H 789 8.026 117.742 7.553 4 U -8.109e+02 0.00e+00 - 0 0 0 0 0 # 84 LEU H 790 8.661 121.860 4.285 3 U -5.917e+02 0.00e+00 - 0 55 56 1388 0 # 90 ALA H 791 8.661 121.860 4.071 4 U -5.385e+02 0.00e+00 - 0 55 56 1383 0 # 90 ALA H 792 8.079 119.525 7.248 4 U -4.845e+02 0.00e+00 - 0 0 0 0 0 # 91 HIS H 793 7.665 118.253 0.941 3 U -4.881e+02 0.00e+00 - 0 139 140 1645 0 # 92 GLU H 794 7.665 118.253 1.823 4 U -7.296e+02 0.00e+00 - 0 0 0 0 0 # 92 GLU H 795 7.665 118.253 3.112 3 U -4.007e+02 0.00e+00 - 0 139 140 1452 0 # 92 GLU H 796 7.665 118.253 3.224 3 U -5.314e+02 0.00e+00 - 0 139 140 1479 0 # 92 GLU H 797 7.340 117.737 6.590 4 U -4.938e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU H 798 7.340 117.737 8.046 4 U -6.674e+02 0.00e+00 - 0 147 148 57 0 # 93 LEU H 799 8.012 121.604 4.515 4 U -8.360e+02 0.00e+00 - 0 0 0 0 0 # 94 ARG H 800 8.012 121.604 4.914 4 U -7.998e+02 0.00e+00 - 0 0 0 0 0 # 94 ARG H 801 8.490 123.147 9.471 4 U -4.654e+02 0.00e+00 - 0 0 0 0 0 # 96 ASP H 802 8.869 122.374 0.794 0 U -4.434e+02 0.00e+00 - 0 51 52 1608 0 # 25 GLU H 803 7.549 112.605 5.402 0 U -4.370e+02 0.00e+00 - 0 179 180 1376 0 # 27 LEU H 804 7.531 123.907 0.715 0 U -4.782e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU H 805 8.295 106.943 8.110 0 U -9.085e+02 0.00e+00 - 0 223 224 17 0 # 39 GLY H 806 8.165 107.711 7.905 0 U -7.738e+02 0.00e+00 - 0 221 222 81 0 # 44 GLY H 807 9.121 128.180 8.440 0 U -4.739e+02 0.00e+00 - 0 7 8 133 0 # 52 LEU H ; save_ save_13C_(ali) _Saveframe_category spectral_peak_list _Experiment_label $3D_15N-,_13Cali-,_13Caro-resolved_NOESY _Number_of_spectral_dimensions ? _Sample_label $NC _Sample_conditions_label $conditions_1 _Text_data ; # Number of dimensions 3 #INAME 1 H #INAME 2 C #INAME 3 H 1 4.304 56.164 0.115 4 U 5.786e+02 0.00e+00 - 0 0 0 0 0 # 14 ARG HA 2 4.304 56.164 0.831 4 U 6.763e+02 0.00e+00 - 0 0 0 0 0 # 14 ARG HA 3 4.304 56.164 1.604 3 U 3.591e+03 0.00e+00 - 0 1312 979 1655 0 # 14 ARG HA 4 4.304 56.164 1.765 3 U 2.412e+03 0.00e+00 - 0 1312 979 1390 0 # 14 ARG HA 5 4.304 56.164 1.882 3 U 4.443e+03 0.00e+00 - 0 1312 979 1653 0 # 14 ARG HA 6 4.304 56.164 3.141 3 U 1.364e+03 0.00e+00 - 0 1312 979 1657 0 # 14 ARG HA 7 4.304 56.164 3.988 3 U 7.728e+02 0.00e+00 - 0 1312 979 1311 0 # 14 ARG HA 8 4.304 56.164 8.620 3 U 1.658e+03 0.00e+00 - 0 1312 979 85 0 # 14 ARG HA 9 1.773 30.629 3.154 3 U -1.277e+03 0.00e+00 - 0 1390 980 1657 0 # 14 ARG HB2 10 1.773 30.629 4.311 3 U -1.446e+03 0.00e+00 - 0 1390 980 1312 0 # 14 ARG HB2 11 1.873 30.629 3.154 3 U -1.247e+03 0.00e+00 - 0 1653 980 1657 0 # 14 ARG HB3 12 1.873 30.629 4.312 3 U -2.329e+03 0.00e+00 - 0 1653 980 1312 0 # 14 ARG HB3 13 1.598 27.105 3.146 3 U -3.217e+03 0.00e+00 - 0 1655 1654 1657 0 # 14 ARG HG 14 3.151 43.215 1.612 4 U -7.555e+03 0.00e+00 - 0 0 0 0 0 # 14 ARG HD 15 3.151 43.215 1.755 3 U -2.775e+03 0.00e+00 - 0 1657 1656 1390 0 # 14 ARG HD 16 3.151 43.215 1.867 3 U -2.314e+03 0.00e+00 - 0 1657 1656 1653 0 # 14 ARG HD 17 3.151 43.215 4.292 3 U -1.418e+03 0.00e+00 - 0 1657 1656 1312 0 # 14 ARG HD 18 4.230 57.031 8.620 3 U 9.535e+02 0.00e+00 - 0 1313 968 85 0 # 15 GLU HA 19 4.230 57.031 8.368 4 U 1.720e+03 0.00e+00 - 0 0 0 0 0 # 15 GLU HA 20 4.230 57.031 7.255 4 U 6.572e+02 0.00e+00 - 0 0 0 0 0 # 15 GLU HA 21 4.230 57.031 2.288 4 U 3.323e+03 0.00e+00 - 0 0 0 0 0 # 15 GLU HA 22 4.230 57.031 2.037 4 U 4.898e+03 0.00e+00 - 0 0 0 0 0 # 15 GLU HA 23 1.987 29.806 4.233 4 U -2.498e+03 0.00e+00 - 0 0 0 0 0 # 15 GLU HB2 24 2.067 29.806 4.233 4 U -2.980e+03 0.00e+00 - 0 0 0 0 0 # 15 GLU HB3 25 2.282 36.260 8.642 3 U -7.316e+02 0.00e+00 - 0 1659 1660 85 0 # 15 GLU HG 26 2.282 36.260 4.247 4 U -4.823e+03 0.00e+00 - 0 0 0 0 0 # 15 GLU HG 27 4.662 53.490 2.813 3 U 4.795e+03 0.00e+00 - 0 1378 1011 1428 0 # 16 ASN HA 28 4.662 53.490 8.110 3 U 4.159e+03 0.00e+00 - 0 1378 1011 59 0 # 16 ASN HA 29 2.794 38.655 4.666 4 U -2.147e+03 0.00e+00 - 0 0 0 0 0 # 16 ASN HB2 30 2.835 38.655 4.666 4 U -2.036e+03 0.00e+00 - 0 0 0 0 0 # 16 ASN HB3 31 4.171 55.935 0.798 3 U 4.386e+03 0.00e+00 - 0 1379 1307 1666 0 # 17 LEU HA 32 4.171 55.935 1.396 3 U 2.299e+03 0.00e+00 - 0 1379 1307 1455 0 # 17 LEU HA 33 4.171 55.935 1.604 3 U 2.179e+03 0.00e+00 - 0 0 0 0 0 # 17 LEU HA 34 4.171 55.935 8.074 3 U 1.764e+03 0.00e+00 - 0 0 0 0 0 # 17 LEU HA 35 1.395 41.850 8.100 3 U -8.611e+02 0.00e+00 - 0 0 0 0 0 # 17 LEU HB2 36 1.395 41.850 4.176 3 U -1.761e+03 0.00e+00 - 0 1455 1308 1379 0 # 17 LEU HB2 37 1.395 41.850 1.609 3 U -1.677e+04 0.00e+00 - 0 0 0 0 0 # 17 LEU HB2 38 1.395 41.850 0.854 3 U -3.863e+03 0.00e+00 - 0 1455 1308 1856 0 # 17 LEU HB2 39 1.613 41.850 8.099 3 U -1.373e+03 0.00e+00 - 0 0 0 0 0 # 17 LEU HB3 40 1.613 41.850 1.398 3 U -1.085e+04 0.00e+00 - 0 1482 1308 1455 0 # 17 LEU HB3 41 1.582 26.889 8.077 3 U -7.527e+02 0.00e+00 - 0 0 0 0 0 # 17 LEU HG 42 0.797 23.296 4.176 3 U -6.644e+03 0.00e+00 - 0 1666 1667 1379 0 # 17 LEU HD1 43 4.178 56.632 2.210 3 U 1.485e+03 0.00e+00 - 0 1772 1771 1769 0 # 20 GLN HA 44 4.178 56.632 2.430 3 U 1.892e+03 0.00e+00 - 0 1772 1771 1766 0 # 20 GLN HA 45 4.178 56.632 2.074 3 U 1.579e+03 0.00e+00 - 0 1772 1771 1770 0 # 20 GLN HA 46 2.064 28.664 8.023 4 U -8.239e+02 0.00e+00 - 0 0 0 0 0 # 20 GLN HB2 47 2.064 28.664 4.174 3 U -1.464e+03 0.00e+00 - 0 1770 1768 1772 0 # 20 GLN HB2 48 2.064 28.664 2.199 3 U -1.292e+04 0.00e+00 - 0 1770 1768 1769 0 # 20 GLN HB2 49 2.064 28.664 2.411 3 U -3.846e+03 0.00e+00 - 0 1770 1768 1766 0 # 20 GLN HB2 50 2.205 28.664 2.075 3 U -1.329e+04 0.00e+00 - 0 1769 1768 1770 0 # 20 GLN HB3 51 2.205 28.664 2.408 3 U -4.482e+03 0.00e+00 - 0 1769 1768 1766 0 # 20 GLN HB3 52 2.205 28.664 4.175 3 U -1.552e+03 0.00e+00 - 0 1769 1768 1772 0 # 20 GLN HB3 53 2.205 28.664 7.992 4 U -7.988e+02 0.00e+00 - 0 0 0 0 0 # 20 GLN HB3 54 2.417 34.031 8.019 4 U -1.069e+03 0.00e+00 - 0 0 0 0 0 # 20 GLN HG 55 2.417 34.031 7.471 3 U -1.229e+03 0.00e+00 - 0 1766 1767 191 0 # 20 GLN HG 56 2.417 34.031 6.901 3 U -5.129e+02 0.00e+00 - 0 1766 1767 1765 0 # 20 GLN HG 57 2.417 34.031 4.175 3 U -3.044e+03 0.00e+00 - 0 1766 1767 1772 0 # 20 GLN HG 58 4.602 53.930 9.434 3 U 1.884e+03 0.00e+00 - 0 1360 1033 95 0 # 23 LEU HA 59 4.602 53.930 1.124 3 U 1.087e+03 0.00e+00 - 0 1360 1033 1447 0 # 23 LEU HA 60 4.602 53.930 0.577 3 U 1.513e+03 0.00e+00 - 0 1360 1033 1668 0 # 23 LEU HA 61 1.139 43.204 0.579 3 U -8.721e+02 0.00e+00 - 0 1447 1034 1668 0 # 23 LEU HB2 62 1.139 43.204 0.731 3 U -1.554e+03 0.00e+00 - 0 1447 1034 1763 0 # 23 LEU HB2 63 1.139 43.204 1.424 3 U -7.868e+02 0.00e+00 - 0 1447 1034 1453 0 # 23 LEU HB2 64 1.139 43.204 1.749 3 U -4.220e+03 0.00e+00 - 0 1447 1034 1474 0 # 23 LEU HB2 65 1.139 43.204 4.610 3 U -8.330e+02 0.00e+00 - 0 1447 1034 1360 0 # 23 LEU HB2 66 1.139 43.204 7.445 3 U -4.923e+02 0.00e+00 - 0 1447 1034 127 0 # 23 LEU HB2 67 1.742 43.204 1.143 3 U -3.305e+03 0.00e+00 - 0 1474 1034 1447 0 # 23 LEU HB3 68 1.742 43.204 0.745 3 U -1.082e+03 0.00e+00 - 0 1474 1034 1763 0 # 23 LEU HB3 69 1.742 43.204 7.448 3 U -5.867e+02 0.00e+00 - 0 1474 1034 127 0 # 23 LEU HB3 70 1.567 26.894 7.453 3 U -8.340e+02 0.00e+00 - 0 1484 1483 127 0 # 23 LEU HG 71 1.567 26.894 0.598 3 U -1.809e+03 0.00e+00 - 0 1484 1483 1668 0 # 23 LEU HG 72 1.567 26.894 0.749 4 U -6.740e+03 0.00e+00 - 0 1484 1483 1763 0 # 23 LEU HG 73 0.580 22.165 9.436 3 U -1.167e+03 0.00e+00 - 0 1668 1762 95 0 # 23 LEU HD1 74 0.580 22.165 8.837 4 U -6.443e+02 0.00e+00 - 0 1668 1762 199 0 # 23 LEU HD1 75 0.580 22.165 8.474 3 U -7.647e+02 0.00e+00 - 0 1668 1762 13 0 # 23 LEU HD1 76 0.580 22.165 7.282 4 U -7.798e+02 0.00e+00 - 0 0 0 0 0 # 23 LEU HD1 77 0.580 22.165 7.455 3 U -7.166e+02 0.00e+00 - 0 1668 1762 127 0 # 23 LEU HD1 78 0.580 22.165 4.282 3 U -3.959e+03 0.00e+00 - 0 1668 1762 1374 0 # 23 LEU HD1 79 0.580 22.165 2.947 3 U -7.065e+02 0.00e+00 - 0 1668 1762 1601 0 # 23 LEU HD1 80 0.580 22.165 3.097 3 U -7.266e+02 0.00e+00 - 0 1668 1762 1426 0 # 23 LEU HD1 81 0.743 26.407 1.144 3 U -2.238e+03 0.00e+00 - 0 1763 1764 1447 0 # 23 LEU HD2 82 0.743 26.407 4.611 3 U -5.136e+02 0.00e+00 - 0 1763 1764 1360 0 # 23 LEU HD2 83 0.743 26.407 7.229 4 U -1.028e+03 0.00e+00 - 0 0 0 0 0 # 23 LEU HD2 84 4.722 52.147 8.883 3 U 4.307e+03 0.00e+00 - 0 1359 983 51 0 # 24 ARG HA 85 1.506 34.188 0.848 4 U -8.370e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG HB2 86 1.506 34.188 1.805 3 U -4.658e+03 0.00e+00 - 0 1446 984 1473 0 # 24 ARG HB2 87 1.506 34.188 4.720 3 U -9.894e+02 0.00e+00 - 0 1446 984 1359 0 # 24 ARG HB2 88 1.506 34.188 9.435 3 U -7.256e+02 0.00e+00 - 0 1446 984 95 0 # 24 ARG HB2 89 1.808 34.188 0.851 4 U -1.249e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG HB3 90 1.808 34.188 1.504 3 U -5.623e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG HB3 91 1.808 34.188 4.724 3 U -9.625e+02 0.00e+00 - 0 1473 984 1359 0 # 24 ARG HB3 92 1.808 34.188 8.863 3 U -5.626e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG HB3 93 1.808 34.188 9.435 3 U -6.101e+02 0.00e+00 - 0 1473 984 95 0 # 24 ARG HB3 94 1.455 26.445 9.435 3 U -5.335e+02 0.00e+00 - 0 1487 1485 95 0 # 24 ARG HG2 95 1.455 26.445 3.304 3 U -5.938e+02 0.00e+00 - 0 1487 1485 1489 0 # 24 ARG HG2 96 3.168 41.889 1.479 3 U -1.679e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG HD2 97 3.168 41.889 1.587 4 U -1.761e+03 0.00e+00 - 0 1490 1488 1486 0 # 24 ARG HD2 98 3.168 41.889 1.804 3 U -6.905e+02 0.00e+00 - 0 1490 1488 1473 0 # 24 ARG HD2 99 3.168 41.889 3.304 3 U -9.373e+03 0.00e+00 - 0 1490 1488 1489 0 # 24 ARG HD2 100 3.302 41.889 1.476 3 U -1.257e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG HD3 101 3.302 41.889 1.638 4 U -8.972e+02 0.00e+00 - 0 1489 1488 1486 0 # 24 ARG HD3 102 3.302 41.889 3.170 3 U -8.828e+03 0.00e+00 - 0 1489 1488 1490 0 # 24 ARG HD3 103 4.338 56.842 9.546 3 U 4.079e+03 0.00e+00 - 0 1314 920 3 0 # 25 GLU HA 104 4.338 56.842 8.876 3 U 8.924e+02 0.00e+00 - 0 0 0 0 0 # 25 GLU HA 105 4.338 56.842 5.402 3 U 2.085e+03 0.00e+00 - 0 1314 920 1376 0 # 25 GLU HA 106 4.338 56.842 2.051 4 U 1.352e+03 0.00e+00 - 0 1314 920 1670 0 # 25 GLU HA 107 4.338 56.842 1.941 3 U 1.316e+03 0.00e+00 - 0 1314 920 1392 0 # 25 GLU HA 108 4.338 56.842 0.661 3 U 2.074e+03 0.00e+00 - 0 1314 920 1595 0 # 25 GLU HA 109 1.933 30.696 8.864 3 U -1.070e+03 0.00e+00 - 0 1392 921 51 0 # 25 GLU HB 110 1.933 30.696 4.340 3 U -8.440e+02 0.00e+00 - 0 1392 921 1314 0 # 25 GLU HB 111 1.803 37.173 2.081 3 U -6.571e+03 0.00e+00 - 0 1671 1669 1670 0 # 25 GLU HG2 112 1.803 37.173 0.690 4 U -6.073e+02 0.00e+00 - 0 0 0 0 0 # 25 GLU HG2 113 1.803 37.173 4.341 3 U -9.710e+02 0.00e+00 - 0 1671 1669 1314 0 # 25 GLU HG2 114 1.803 37.173 7.527 4 U -7.758e+02 0.00e+00 - 0 1671 1669 179 0 # 25 GLU HG2 115 1.803 37.173 7.880 4 U -5.030e+02 0.00e+00 - 0 0 0 0 0 # 25 GLU HG2 116 2.078 37.173 1.805 3 U -6.788e+03 0.00e+00 - 0 1670 1669 1671 0 # 25 GLU HG3 117 2.078 37.173 4.340 3 U -8.744e+02 0.00e+00 - 0 1670 1669 1314 0 # 25 GLU HG3 118 2.078 37.173 7.554 3 U -7.597e+02 0.00e+00 - 0 1670 1669 179 0 # 25 GLU HG3 119 2.078 37.173 8.874 3 U -5.292e+02 0.00e+00 - 0 1670 1669 51 0 # 25 GLU HG3 120 2.078 37.173 9.572 4 U -5.675e+02 0.00e+00 - 0 1670 1669 3 0 # 25 GLU HG3 121 4.383 55.481 0.744 3 U 2.358e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HA 122 4.383 55.481 0.879 3 U 5.914e+03 0.00e+00 - 0 1315 850 1499 0 # 26 LEU HA 123 4.383 55.481 1.148 4 U 8.838e+02 0.00e+00 - 0 0 0 0 0 # 26 LEU HA 124 4.383 55.481 1.278 3 U 1.904e+03 0.00e+00 - 0 1315 850 1429 0 # 26 LEU HA 125 4.383 55.481 1.449 3 U 1.453e+03 0.00e+00 - 0 1315 850 1497 0 # 26 LEU HA 126 4.383 55.481 1.698 3 U 4.998e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HA 127 4.383 55.481 9.572 4 U 1.121e+03 0.00e+00 - 0 1315 850 3 0 # 26 LEU HA 128 4.383 55.481 7.529 4 U 5.573e+02 0.00e+00 - 0 1315 850 179 0 # 26 LEU HA 129 1.276 44.776 0.741 4 U -2.868e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HB2 130 1.276 44.776 0.878 3 U -1.319e+03 0.00e+00 - 0 1429 851 1499 0 # 26 LEU HB2 131 1.276 44.776 1.723 3 U -3.863e+03 0.00e+00 - 0 1429 851 1456 0 # 26 LEU HB2 132 1.276 44.776 4.395 3 U -9.965e+02 0.00e+00 - 0 1429 851 1315 0 # 26 LEU HB2 133 1.276 44.776 9.553 3 U -8.199e+02 0.00e+00 - 0 1429 851 3 0 # 26 LEU HB2 134 1.719 44.776 0.743 4 U -2.397e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HB3 135 1.719 44.776 1.287 3 U -4.277e+03 0.00e+00 - 0 1456 851 1429 0 # 26 LEU HB3 136 1.719 44.776 1.422 3 U -2.631e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HB3 137 1.719 44.776 4.391 3 U -9.440e+02 0.00e+00 - 0 1456 851 1315 0 # 26 LEU HB3 138 1.719 44.776 7.555 3 U -9.554e+02 0.00e+00 - 0 1456 851 179 0 # 26 LEU HB3 139 1.719 44.776 9.545 3 U -1.052e+03 0.00e+00 - 0 1456 851 3 0 # 26 LEU HB3 141 0.722 25.759 8.808 3 U -1.717e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HD1 142 0.722 25.759 8.096 3 U -8.330e+02 0.00e+00 - 0 1673 1672 105 0 # 27 LEU HD1 143 0.722 25.759 7.528 3 U -8.370e+02 0.00e+00 - 0 0 0 0 0 # 27 LEU HD1 144 0.722 25.759 5.543 3 U -1.028e+03 0.00e+00 - 0 1673 1672 1317 0 # 27 LEU HD1 145 0.722 25.759 4.694 3 U -1.758e+03 0.00e+00 - 0 1673 1672 1316 0 # 27 LEU HD1 146 0.722 25.759 4.367 3 U -1.299e+03 0.00e+00 - 0 1673 1672 1677 0 # 27 LEU HD1 147 0.722 25.759 3.896 3 U -7.447e+02 0.00e+00 - 0 0 0 0 0 # 27 LEU HD1 148 0.722 25.759 2.224 3 U -1.321e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HD1 149 0.722 25.759 2.104 4 U -1.263e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HD1 150 0.722 25.759 1.807 3 U -6.306e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HD1 151 0.716 27.675 7.552 3 U -7.607e+02 0.00e+00 - 0 1675 1674 179 0 # 27 LEU HD2 152 0.716 27.675 4.695 3 U -7.667e+02 0.00e+00 - 0 1675 1674 1316 0 # 27 LEU HD2 153 0.716 27.675 4.313 3 U -5.505e+02 0.00e+00 - 0 1675 1674 1367 0 # 27 LEU HD2 154 0.716 27.675 1.980 3 U -1.660e+03 0.00e+00 - 0 1675 1674 1423 0 # 27 LEU HD2 155 0.716 27.675 1.834 4 U -5.543e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HD2 156 0.716 27.675 1.556 3 U -1.691e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HD2 157 0.716 27.675 2.114 3 U -1.116e+03 0.00e+00 - 0 1675 1674 1399 0 # 27 LEU HD2 158 4.682 54.504 8.808 3 U 4.256e+03 0.00e+00 - 0 1316 1085 111 0 # 27 LEU HA 159 4.682 54.504 1.803 3 U 6.412e+03 0.00e+00 - 0 1316 1085 1393 0 # 27 LEU HA 160 4.682 54.504 0.714 3 U 1.824e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HA 161 1.806 44.314 8.808 3 U -1.200e+03 0.00e+00 - 0 1393 1086 111 0 # 27 LEU HB2 162 1.806 44.314 4.691 3 U -2.104e+03 0.00e+00 - 0 1393 1086 1316 0 # 27 LEU HB2 163 1.806 44.314 4.285 3 U -7.356e+02 0.00e+00 - 0 1393 1086 1367 0 # 27 LEU HB2 164 1.806 44.314 1.451 3 U -1.436e+03 0.00e+00 - 0 1393 1086 1504 0 # 27 LEU HB2 165 1.806 44.314 0.851 3 U -1.049e+03 0.00e+00 - 0 1393 1086 1588 0 # 27 LEU HB2 166 1.806 44.314 0.730 4 U -3.004e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HB2 167 1.857 44.314 8.808 3 U -1.157e+03 0.00e+00 - 0 1503 1086 111 0 # 27 LEU HB3 168 1.857 44.314 4.692 3 U -1.823e+03 0.00e+00 - 0 1503 1086 1316 0 # 27 LEU HB3 169 1.857 44.314 1.451 3 U -9.028e+02 0.00e+00 - 0 1503 1086 1504 0 # 27 LEU HB3 170 1.857 44.314 0.852 3 U -5.583e+02 0.00e+00 - 0 1503 1086 1588 0 # 27 LEU HB3 171 1.857 44.314 0.728 4 U -2.402e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HB3 172 1.423 26.910 0.741 3 U -6.057e+03 0.00e+00 - 0 1497 1498 1501 0 # 26 LEU HG 173 0.884 24.433 8.741 3 U -1.011e+03 0.00e+00 - 0 1499 1500 151 0 # 26 LEU HD1 174 0.884 24.433 4.392 3 U -6.644e+03 0.00e+00 - 0 1499 1500 1315 0 # 26 LEU HD1 175 0.884 24.433 3.849 3 U -3.522e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HD1 176 0.884 24.433 1.287 3 U -4.283e+03 0.00e+00 - 0 1499 1500 1429 0 # 26 LEU HD1 177 0.884 24.433 1.533 3 U -9.237e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HD1 178 0.884 24.433 1.448 4 U -9.384e+03 0.00e+00 - 0 1499 1500 1497 0 # 26 LEU HD1 179 0.731 27.326 0.088 3 U -2.655e+03 0.00e+00 - 0 1501 1502 1533 0 # 26 LEU HD2 180 0.731 27.326 1.286 3 U -2.803e+03 0.00e+00 - 0 1501 1502 1429 0 # 26 LEU HD2 181 0.731 27.326 1.726 3 U -3.245e+03 0.00e+00 - 0 1501 1502 1456 0 # 26 LEU HD2 182 5.544 53.975 0.717 3 U 8.703e+02 0.00e+00 - 0 1317 1004 1673 0 # 28 ARG HA 183 5.544 53.975 0.917 3 U 6.120e+02 0.00e+00 - 0 1317 1004 1678 0 # 28 ARG HA 184 5.544 53.975 1.536 3 U 1.787e+03 0.00e+00 - 0 1317 1004 1430 0 # 28 ARG HA 185 5.544 53.975 1.641 3 U 1.364e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG HA 186 5.544 53.975 2.017 3 U 1.724e+03 0.00e+00 - 0 1317 1004 1457 0 # 28 ARG HA 187 5.544 53.975 4.941 3 U 2.519e+03 0.00e+00 - 0 1317 1004 1372 0 # 28 ARG HA 188 5.544 53.975 8.891 3 U 3.733e+03 0.00e+00 - 0 1317 1004 157 0 # 28 ARG HA 189 5.544 53.975 8.783 3 U 1.115e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG HA 190 1.534 33.390 2.023 3 U -4.351e+03 0.00e+00 - 0 1430 1005 1457 0 # 28 ARG HB2 191 1.534 33.390 5.539 3 U -1.245e+03 0.00e+00 - 0 1430 1005 1317 0 # 28 ARG HB2 192 2.015 33.390 1.535 3 U -5.696e+03 0.00e+00 - 0 1457 1005 1430 0 # 28 ARG HB3 194 2.015 33.390 5.539 3 U -1.087e+03 0.00e+00 - 0 1457 1005 1317 0 # 28 ARG HB3 195 1.596 24.640 2.019 3 U -1.050e+03 0.00e+00 - 0 1506 1507 1457 0 # 28 ARG HG 196 1.596 24.640 3.247 3 U -8.199e+02 0.00e+00 - 0 1506 1507 1509 0 # 28 ARG HG 197 1.596 24.640 2.947 3 U -4.540e+02 0.00e+00 - 0 1506 1507 1510 0 # 28 ARG HG 198 2.950 43.786 1.559 4 U -1.928e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG HD2 199 2.950 43.786 1.646 3 U -1.713e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG HD2 200 2.950 43.786 1.996 4 U -6.854e+02 0.00e+00 - 0 0 0 0 0 # 28 ARG HD2 201 2.950 43.786 3.249 3 U -7.226e+03 0.00e+00 - 0 1510 1508 1509 0 # 28 ARG HD2 202 3.241 43.786 1.586 3 U -3.032e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG HD3 203 3.241 43.786 2.949 3 U -7.351e+03 0.00e+00 - 0 1509 1508 1510 0 # 28 ARG HD3 204 4.377 67.094 0.715 3 U 1.776e+03 0.00e+00 - 0 0 0 0 0 # 29 THR HB 205 4.377 67.094 0.932 3 U 3.898e+03 0.00e+00 - 0 0 0 0 0 # 29 THR HB 207 0.920 19.071 8.894 3 U 3.126e+03 0.00e+00 - 0 1678 1679 157 0 # 29 THR HG2 208 0.920 19.071 8.319 3 U 1.252e+03 0.00e+00 - 0 1678 1679 143 0 # 29 THR HG2 209 0.920 19.071 5.539 3 U 9.378e+02 0.00e+00 - 0 1678 1679 1317 0 # 29 THR HG2 210 0.920 19.071 4.378 3 U 4.864e+03 0.00e+00 - 0 1678 1679 1677 0 # 29 THR HG2 211 0.920 19.071 3.721 3 U 1.017e+03 0.00e+00 - 0 1678 1679 1323 0 # 29 THR HG2 212 0.920 19.071 3.148 3 U 6.944e+02 0.00e+00 - 0 1678 1679 1459 0 # 29 THR HG2 213 0.920 19.071 2.569 3 U 7.658e+02 0.00e+00 - 0 1678 1679 1432 0 # 29 THR HG2 214 0.920 19.071 1.938 3 U 1.404e+03 0.00e+00 - 0 0 0 0 0 # 29 THR HG2 215 0.920 19.071 1.588 3 U 5.745e+03 0.00e+00 - 0 0 0 0 0 # 29 THR HG2 216 0.920 19.071 1.416 3 U 1.884e+03 0.00e+00 - 0 1678 1679 1515 0 # 29 THR HG2 217 5.122 51.942 4.313 3 U 1.152e+03 0.00e+00 - 0 1318 1680 1733 0 # 30 ASN HA 218 5.122 51.942 2.678 3 U 1.966e+03 0.00e+00 - 0 1318 1680 1458 0 # 30 ASN HA 219 5.122 51.942 2.838 3 U 2.085e+03 0.00e+00 - 0 1318 1680 1431 0 # 30 ASN HA 220 2.835 39.244 7.774 3 U -1.086e+03 0.00e+00 - 0 0 0 0 0 # 30 ASN HB2 221 2.835 39.244 0.936 4 U -9.326e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HB2 222 2.835 39.244 5.128 3 U -1.689e+03 0.00e+00 - 0 1431 1681 1318 0 # 30 ASN HB2 223 2.682 39.244 5.128 3 U -1.500e+03 0.00e+00 - 0 1458 1681 1318 0 # 30 ASN HB3 224 4.622 53.481 8.833 3 U 4.602e+03 0.00e+00 - 0 1319 886 1 0 # 31 ASP HA 225 4.622 53.481 2.554 3 U 1.656e+03 0.00e+00 - 0 1319 886 1432 0 # 31 ASP HA 226 2.559 41.641 8.945 3 U -1.518e+03 0.00e+00 - 0 1432 887 31 0 # 31 ASP HB2 227 2.559 41.641 0.970 3 U -7.065e+02 0.00e+00 - 0 1432 887 1686 0 # 31 ASP HB2 228 2.559 41.641 1.944 3 U -6.473e+02 0.00e+00 - 0 1432 887 1460 0 # 31 ASP HB2 229 2.559 41.641 3.141 3 U -6.338e+03 0.00e+00 - 0 1432 887 1459 0 # 31 ASP HB2 230 2.559 41.641 4.626 3 U -1.289e+03 0.00e+00 - 0 1432 887 1319 0 # 31 ASP HB2 231 3.145 41.641 2.562 3 U -5.840e+03 0.00e+00 - 0 1459 887 1432 0 # 31 ASP HB3 232 3.145 41.641 1.933 3 U -8.886e+02 0.00e+00 - 0 1459 887 1460 0 # 31 ASP HB3 233 3.145 41.641 8.960 3 U -1.222e+03 0.00e+00 - 0 1459 887 31 0 # 31 ASP HB3 234 4.000 54.817 0.759 4 U 3.170e+03 0.00e+00 - 0 0 0 0 0 # 32 ALA HA 235 4.000 54.817 1.531 3 U 1.321e+04 0.00e+00 - 0 0 0 0 0 # 32 ALA HA 236 4.000 54.817 8.153 3 U 8.010e+02 0.00e+00 - 0 1320 846 87 0 # 32 ALA HA 237 4.000 54.817 8.339 3 U 8.723e+02 0.00e+00 - 0 1320 846 143 0 # 32 ALA HA 238 1.535 19.373 1.069 3 U 2.117e+03 0.00e+00 - 0 1394 847 1512 0 # 32 ALA HB 239 1.535 19.373 4.005 3 U 1.099e+04 0.00e+00 - 0 1394 847 1320 0 # 32 ALA HB 240 1.535 19.373 4.619 3 U 7.055e+02 0.00e+00 - 0 1394 847 1319 0 # 32 ALA HB 241 1.535 19.373 8.142 3 U 2.171e+03 0.00e+00 - 0 1394 847 87 0 # 32 ALA HB 242 1.535 19.373 8.837 3 U 5.271e+03 0.00e+00 - 0 1394 847 1 0 # 32 ALA HB 243 3.706 65.779 8.128 3 U 2.587e+03 0.00e+00 - 0 0 0 0 0 # 33 VAL HA 244 3.706 65.779 7.937 3 U 7.185e+02 0.00e+00 - 0 1321 972 161 0 # 33 VAL HA 245 3.706 65.779 7.498 4 U 7.266e+02 0.00e+00 - 0 1321 972 33 0 # 33 VAL HA 246 3.706 65.779 4.040 3 U 4.670e+03 0.00e+00 - 0 1321 972 1397 0 # 33 VAL HA 247 3.706 65.779 2.369 3 U 2.159e+03 0.00e+00 - 0 1321 972 1395 0 # 33 VAL HA 248 3.706 65.779 1.558 4 U 1.198e+03 0.00e+00 - 0 1321 972 1394 0 # 33 VAL HA 249 3.706 65.779 1.070 3 U 6.757e+03 0.00e+00 - 0 1321 972 1512 0 # 33 VAL HA 250 3.706 65.779 0.957 3 U 5.841e+03 0.00e+00 - 0 1321 972 1511 0 # 33 VAL HA 251 2.367 31.114 8.140 3 U -4.096e+03 0.00e+00 - 0 1395 973 87 0 # 33 VAL HB 252 2.367 31.114 7.534 3 U -2.053e+03 0.00e+00 - 0 1395 973 33 0 # 33 VAL HB 253 2.367 31.114 3.703 3 U -1.630e+03 0.00e+00 - 0 1395 973 1321 0 # 33 VAL HB 254 2.367 31.114 1.069 3 U -5.848e+03 0.00e+00 - 0 1395 973 1512 0 # 33 VAL HB 255 2.367 31.114 0.961 3 U -6.491e+03 0.00e+00 - 0 1395 973 1511 0 # 33 VAL HB 256 0.961 21.188 8.130 4 U 1.601e+03 0.00e+00 - 0 0 0 0 0 # 33 VAL HG1 257 0.961 21.188 7.540 3 U 1.063e+03 0.00e+00 - 0 1511 1513 33 0 # 33 VAL HG1 258 0.961 21.188 4.046 3 U 6.804e+02 0.00e+00 - 0 1511 1513 1397 0 # 33 VAL HG1 259 0.961 21.188 3.712 3 U 5.785e+03 0.00e+00 - 0 1511 1513 1321 0 # 33 VAL HG1 260 0.961 21.188 2.374 3 U 8.738e+03 0.00e+00 - 0 1511 1513 1395 0 # 33 VAL HG1 261 1.073 22.464 8.143 3 U -6.435e+03 0.00e+00 - 0 1512 1514 87 0 # 33 VAL HG2 262 1.073 22.464 7.536 3 U -1.117e+03 0.00e+00 - 0 1512 1514 33 0 # 33 VAL HG2 263 1.073 22.464 3.712 3 U -9.828e+03 0.00e+00 - 0 1512 1514 1321 0 # 33 VAL HG2 264 1.073 22.464 2.370 3 U -1.003e+04 0.00e+00 - 0 1512 1514 1395 0 # 33 VAL HG2 265 4.202 57.066 8.116 4 U 9.165e+02 0.00e+00 - 0 1322 890 17 0 # 34 LEU HA 266 4.202 57.066 7.529 3 U 1.824e+03 0.00e+00 - 0 1322 890 33 0 # 34 LEU HA 267 4.202 57.066 1.560 3 U 5.351e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HA 268 4.202 57.066 1.420 3 U 1.493e+03 0.00e+00 - 0 1322 890 1515 0 # 34 LEU HA 269 4.202 57.066 0.959 3 U 5.922e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HA 270 1.571 40.767 7.528 3 U -1.267e+03 0.00e+00 - 0 1433 891 33 0 # 34 LEU HB2 271 1.571 40.767 4.204 3 U -1.367e+03 0.00e+00 - 0 1433 891 1322 0 # 34 LEU HB2 272 1.571 40.767 3.154 3 U -6.222e+02 0.00e+00 - 0 1433 891 1459 0 # 34 LEU HB2 273 1.571 40.767 0.960 4 U -2.486e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HB2 274 1.571 40.767 1.949 3 U -4.997e+03 0.00e+00 - 0 1433 891 1460 0 # 34 LEU HB2 275 1.571 40.767 1.427 3 U -2.048e+03 0.00e+00 - 0 1433 891 1515 0 # 34 LEU HB2 276 1.946 40.767 8.333 3 U -6.232e+02 0.00e+00 - 0 1460 891 143 0 # 34 LEU HB3 277 1.946 40.767 7.528 3 U -1.422e+03 0.00e+00 - 0 1460 891 33 0 # 34 LEU HB3 278 1.946 40.767 4.204 3 U -1.006e+03 0.00e+00 - 0 1460 891 1322 0 # 34 LEU HB3 279 1.946 40.767 3.182 4 U -6.252e+02 0.00e+00 - 0 1460 891 1459 0 # 34 LEU HB3 280 1.946 40.767 0.960 4 U -2.329e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HB3 281 1.946 40.767 1.429 3 U -1.798e+03 0.00e+00 - 0 1460 891 1515 0 # 34 LEU HB3 282 1.946 40.767 1.569 3 U -5.487e+03 0.00e+00 - 0 1460 891 1433 0 # 34 LEU HB3 283 1.424 27.373 4.207 3 U -1.014e+03 0.00e+00 - 0 1515 1516 1322 0 # 34 LEU HG 284 1.424 27.373 0.959 4 U -7.339e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HG 285 1.424 27.373 1.941 4 U -1.914e+03 0.00e+00 - 0 1515 1516 1460 0 # 34 LEU HG 286 0.946 24.215 7.523 3 U -6.292e+02 0.00e+00 - 0 1517 1518 33 0 # 34 LEU HD1 287 0.946 24.215 4.204 3 U -7.589e+03 0.00e+00 - 0 1517 1518 1322 0 # 34 LEU HD1 288 0.946 24.215 1.942 3 U -2.417e+03 0.00e+00 - 0 1517 1518 1460 0 # 34 LEU HD1 289 0.946 24.215 1.421 3 U -8.998e+03 0.00e+00 - 0 1517 1518 1515 0 # 34 LEU HD1 290 0.946 24.215 1.561 3 U -7.726e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HD1 291 0.973 25.583 7.535 3 U -7.667e+02 0.00e+00 - 0 1686 1685 33 0 # 34 LEU HD2 292 0.973 25.583 4.377 3 U -2.013e+03 0.00e+00 - 0 1686 1685 1677 0 # 34 LEU HD2 293 0.973 25.583 4.207 3 U -6.101e+02 0.00e+00 - 0 1686 1685 1322 0 # 34 LEU HD2 294 0.973 25.583 3.140 3 U -9.582e+02 0.00e+00 - 0 1686 1685 1459 0 # 34 LEU HD2 295 0.973 25.583 2.555 3 U -7.095e+02 0.00e+00 - 0 1686 1685 1432 0 # 34 LEU HD2 296 0.973 25.583 2.214 3 U -1.934e+03 0.00e+00 - 0 1686 1685 1478 0 # 34 LEU HD2 297 0.973 25.583 2.088 3 U -2.675e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HD2 298 0.973 25.583 1.941 3 U -4.470e+03 0.00e+00 - 0 1686 1685 1460 0 # 34 LEU HD2 299 0.973 25.583 1.426 3 U -6.146e+03 0.00e+00 - 0 1686 1685 1515 0 # 34 LEU HD2 300 0.973 25.583 1.573 3 U -6.226e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HD2 301 3.722 58.197 0.742 3 U 6.460e+03 0.00e+00 - 0 0 0 0 0 # 35 LEU HA 302 3.722 58.197 0.852 3 U 1.191e+03 0.00e+00 - 0 1323 1047 1588 0 # 35 LEU HA 303 3.722 58.197 0.936 3 U 2.499e+03 0.00e+00 - 0 0 0 0 0 # 35 LEU HA 304 3.722 58.197 1.613 3 U 5.046e+03 0.00e+00 - 0 0 0 0 0 # 35 LEU HA 305 3.722 58.197 2.103 3 U 1.801e+03 0.00e+00 - 0 1323 1047 1399 0 # 35 LEU HA 306 3.722 58.197 8.327 3 U 2.020e+03 0.00e+00 - 0 0 0 0 0 # 35 LEU HA 307 3.722 58.197 8.886 3 U 9.080e+02 0.00e+00 - 0 1323 1047 119 0 # 35 LEU HA 308 1.615 41.689 0.748 3 U -5.487e+03 0.00e+00 - 0 1396 1048 1523 0 # 35 LEU HB 309 1.615 41.689 0.853 3 U -4.334e+03 0.00e+00 - 0 1482 1308 1856 0 # 35 LEU HB 310 1.615 41.689 4.010 3 U -2.465e+03 0.00e+00 - 0 1396 1048 1320 0 # 35 LEU HB 311 1.615 41.689 3.720 3 U -2.420e+03 0.00e+00 - 0 1396 1048 1323 0 # 35 LEU HB 312 1.615 41.689 7.944 3 U -1.167e+03 0.00e+00 - 0 1396 1048 161 0 # 35 LEU HB 313 1.615 41.689 8.335 3 U -3.020e+03 0.00e+00 - 0 1396 1048 143 0 # 35 LEU HB 314 1.560 26.695 8.326 3 U -1.840e+03 0.00e+00 - 0 1520 1519 143 0 # 35 LEU HG 315 1.560 26.695 3.737 3 U -5.555e+02 0.00e+00 - 0 1520 1519 1323 0 # 35 LEU HG 316 1.558 26.680 0.742 3 U -6.869e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HG 317 0.738 24.653 8.887 3 U -7.487e+02 0.00e+00 - 0 1523 1522 157 0 # 35 LEU HD 318 0.738 24.653 8.323 3 U -1.281e+03 0.00e+00 - 0 1523 1522 143 0 # 35 LEU HD 319 0.738 24.653 7.940 4 U -1.215e+03 0.00e+00 - 0 1523 1522 161 0 # 35 LEU HD 320 0.738 24.653 4.005 3 U -2.506e+03 0.00e+00 - 0 1523 1522 1320 0 # 35 LEU HD 321 0.738 24.653 3.223 3 U -1.107e+03 0.00e+00 - 0 1523 1522 1757 0 # 35 LEU HD 322 0.738 24.653 3.109 3 U -1.381e+03 0.00e+00 - 0 1523 1522 1758 0 # 35 LEU HD 323 0.738 24.653 3.726 3 U -6.724e+03 0.00e+00 - 0 1523 1522 1323 0 # 35 LEU HD 324 0.738 24.653 1.889 4 U -3.635e+03 0.00e+00 - 0 1523 1522 1756 0 # 35 LEU HD 325 0.738 24.653 2.078 4 U -1.667e+03 0.00e+00 - 0 1523 1522 1399 0 # 35 LEU HD 326 0.738 24.653 1.588 4 U -1.337e+04 0.00e+00 - 0 0 0 0 0 # 35 LEU HD 327 4.274 61.278 7.937 3 U 1.963e+03 0.00e+00 - 0 1324 1081 161 0 # 36 SER HA 328 4.274 61.278 8.101 4 U 9.591e+02 0.00e+00 - 0 0 0 0 0 # 36 SER HA 329 4.274 61.278 8.290 3 U 9.833e+02 0.00e+00 - 0 1324 1081 223 0 # 36 SER HA 330 4.274 61.278 4.038 3 U 3.130e+03 0.00e+00 - 0 1324 1081 1397 0 # 36 SER HA 331 4.274 61.278 1.583 4 U 5.011e+02 0.00e+00 - 0 0 0 0 0 # 36 SER HA 332 4.032 62.411 8.113 3 U 1.923e+03 0.00e+00 - 0 1397 1082 17 0 # 36 SER HB 333 4.032 62.411 7.941 3 U 4.415e+03 0.00e+00 - 0 1397 1082 161 0 # 36 SER HB 334 4.032 62.411 4.282 3 U 3.812e+03 0.00e+00 - 0 1397 1082 1324 0 # 36 SER HB 335 4.032 62.411 3.712 3 U 1.740e+03 0.00e+00 - 0 1397 1082 1321 0 # 36 SER HB 336 4.032 62.411 0.970 3 U 5.047e+02 0.00e+00 - 0 1397 1082 1511 0 # 36 SER HB 337 4.032 62.411 1.561 3 U 1.114e+03 0.00e+00 - 0 1397 1082 1398 0 # 36 SER HB 338 4.204 54.832 0.963 4 U 5.864e+02 0.00e+00 - 0 0 0 0 0 # 37 ALA HA 339 4.204 54.832 1.552 3 U 1.093e+04 0.00e+00 - 0 0 0 0 0 # 37 ALA HA 340 4.204 54.832 7.742 4 U 9.719e+02 0.00e+00 - 0 1325 868 67 0 # 37 ALA HA 341 4.204 54.832 8.124 3 U 2.270e+03 0.00e+00 - 0 1325 868 17 0 # 37 ALA HA 342 4.204 54.832 8.895 3 U 8.422e+02 0.00e+00 - 0 1325 868 119 0 # 37 ALA HA 343 1.558 18.147 8.882 3 U 3.704e+03 0.00e+00 - 0 1398 869 119 0 # 37 ALA HB 344 1.558 18.147 8.118 3 U 8.533e+03 0.00e+00 - 0 1398 869 17 0 # 37 ALA HB 345 1.558 18.147 4.203 3 U 1.611e+04 0.00e+00 - 0 0 0 0 0 # 37 ALA HB 346 1.558 18.147 4.059 3 U 1.519e+03 0.00e+00 - 0 1398 869 1397 0 # 37 ALA HB 347 1.558 18.147 2.094 3 U 1.390e+03 0.00e+00 - 0 1398 869 1399 0 # 37 ALA HB 348 1.558 18.147 0.960 4 U 4.460e+03 0.00e+00 - 0 0 0 0 0 # 37 ALA HB 349 1.558 18.147 0.734 3 U 2.973e+03 0.00e+00 - 0 0 0 0 0 # 37 ALA HB 350 3.405 66.303 8.878 3 U 1.728e+03 0.00e+00 - 0 1326 1019 119 0 # 38 VAL HA 351 3.405 66.303 8.319 3 U 5.708e+02 0.00e+00 - 0 0 0 0 0 # 38 VAL HA 352 3.405 66.303 7.882 3 U 1.096e+03 0.00e+00 - 0 1326 1019 81 0 # 38 VAL HA 353 3.405 66.303 2.108 3 U 1.503e+03 0.00e+00 - 0 1326 1019 1399 0 # 38 VAL HA 354 3.405 66.303 1.900 3 U 1.847e+03 0.00e+00 - 0 1326 1019 1461 0 # 38 VAL HA 355 3.405 66.303 1.743 3 U 6.331e+02 0.00e+00 - 0 0 0 0 0 # 38 VAL HA 356 3.405 66.303 1.444 3 U 7.386e+02 0.00e+00 - 0 1326 1019 1442 0 # 38 VAL HA 357 3.405 66.303 1.322 3 U 1.066e+03 0.00e+00 - 0 1326 1019 1434 0 # 38 VAL HA 358 3.405 66.303 0.960 3 U 4.295e+03 0.00e+00 - 0 1326 1019 1528 0 # 38 VAL HA 359 3.405 66.303 0.849 3 U 1.850e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HA 360 3.405 66.303 0.744 3 U 6.878e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HA 361 2.101 31.568 8.878 3 U -3.197e+03 0.00e+00 - 0 1399 1020 119 0 # 38 VAL HB 362 2.101 31.568 8.293 3 U -1.365e+03 0.00e+00 - 0 1399 1020 223 0 # 38 VAL HB 363 2.101 31.568 3.724 3 U -1.452e+03 0.00e+00 - 0 1399 1020 1323 0 # 38 VAL HB 364 2.101 31.568 3.412 3 U -1.544e+03 0.00e+00 - 0 1399 1020 1326 0 # 38 VAL HB 365 2.101 31.568 0.848 4 U -1.293e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HB 366 2.101 31.568 0.960 3 U -3.579e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HB 367 2.101 31.568 0.742 3 U -5.704e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HB 368 0.736 21.526 8.878 3 U -1.309e+03 0.00e+00 - 0 1527 1525 119 0 # 38 VAL HG1 369 0.736 21.526 8.313 4 U -1.462e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 370 0.736 21.526 3.408 3 U -3.692e+03 0.00e+00 - 0 1527 1525 1326 0 # 38 VAL HG1 371 0.736 21.526 2.103 3 U -5.238e+03 0.00e+00 - 0 1527 1525 1399 0 # 38 VAL HG1 372 0.736 21.526 1.854 4 U -9.312e+02 0.00e+00 - 0 1527 1525 1503 0 # 38 VAL HG1 373 0.736 21.526 1.719 4 U -1.999e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 374 0.736 21.526 1.094 3 U -3.189e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 375 0.736 21.526 1.425 4 U -1.363e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 376 0.736 21.526 1.207 4 U -1.245e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 377 0.736 21.526 0.960 4 U -1.130e+04 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 378 0.736 21.526 0.085 4 U -3.993e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 379 0.964 23.755 8.881 3 U -5.599e+03 0.00e+00 - 0 1528 1526 119 0 # 38 VAL HG2 380 0.964 23.755 8.299 3 U -1.265e+03 0.00e+00 - 0 1528 1526 223 0 # 38 VAL HG2 381 0.964 23.755 8.115 3 U -6.533e+02 0.00e+00 - 0 1528 1526 17 0 # 38 VAL HG2 382 0.964 23.755 3.726 3 U -1.846e+03 0.00e+00 - 0 1528 1526 1323 0 # 38 VAL HG2 383 0.964 23.755 3.408 3 U -6.660e+03 0.00e+00 - 0 1528 1526 1326 0 # 38 VAL HG2 384 0.964 23.755 2.103 3 U -7.612e+03 0.00e+00 - 0 1528 1526 1399 0 # 38 VAL HG2 385 0.964 23.755 1.423 3 U -4.266e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG2 386 0.964 23.755 1.547 3 U -3.630e+03 0.00e+00 - 0 1528 1526 1398 0 # 38 VAL HG2 387 3.383 47.661 1.393 3 U -6.794e+02 0.00e+00 - 0 1384 1107 1435 0 # 39 GLY HA2 388 3.383 47.661 3.911 3 U -1.001e+04 0.00e+00 - 0 1384 1107 1389 0 # 39 GLY HA2 389 3.383 47.661 7.740 3 U -9.000e+02 0.00e+00 - 0 1384 1107 67 0 # 39 GLY HA2 390 3.383 47.661 8.302 3 U -2.574e+03 0.00e+00 - 0 0 0 0 0 # 39 GLY HA2 391 3.383 47.661 8.103 4 U -6.137e+02 0.00e+00 - 0 0 0 0 0 # 39 GLY HA2 392 3.907 47.661 3.385 3 U -1.040e+04 0.00e+00 - 0 1389 1107 1384 0 # 39 GLY HA3 393 3.907 47.661 8.297 3 U -3.579e+03 0.00e+00 - 0 0 0 0 0 # 39 GLY HA3 394 3.907 47.661 7.740 3 U -1.089e+03 0.00e+00 - 0 1389 1107 67 0 # 39 GLY HA3 395 4.278 54.697 1.533 3 U 1.049e+04 0.00e+00 - 0 0 0 0 0 # 40 ALA HA 396 4.278 54.697 2.896 3 U 2.406e+03 0.00e+00 - 0 1327 1309 1463 0 # 40 ALA HA 397 4.278 54.697 2.732 3 U 7.236e+02 0.00e+00 - 0 1327 1309 1436 0 # 40 ALA HA 398 4.278 54.697 7.741 3 U 1.949e+03 0.00e+00 - 0 1327 1309 67 0 # 40 ALA HA 399 4.278 54.697 7.876 3 U 8.572e+02 0.00e+00 - 0 1327 1309 81 0 # 40 ALA HA 400 4.278 54.697 8.155 3 U 7.819e+02 0.00e+00 - 0 1327 1309 221 0 # 40 ALA HA 401 4.278 54.697 8.947 3 U 9.321e+02 0.00e+00 - 0 1327 1309 99 0 # 40 ALA HA 402 1.525 18.269 3.402 3 U 6.894e+02 0.00e+00 - 0 1400 1310 1384 0 # 40 ALA HB 403 1.525 18.269 2.896 3 U 8.100e+02 0.00e+00 - 0 1400 1310 1463 0 # 40 ALA HB 404 1.525 18.269 4.274 3 U 1.292e+04 0.00e+00 - 0 1400 1310 1327 0 # 40 ALA HB 405 1.525 18.269 7.737 3 U 1.011e+04 0.00e+00 - 0 1400 1310 67 0 # 40 ALA HB 406 1.525 18.269 7.883 3 U 5.014e+03 0.00e+00 - 0 1400 1310 81 0 # 40 ALA HB 407 1.525 18.269 8.307 4 U 8.381e+02 0.00e+00 - 0 1400 1310 223 0 # 40 ALA HB 408 4.078 57.296 8.318 3 U 6.492e+02 0.00e+00 - 0 1328 960 117 0 # 41 LEU HA 409 4.078 57.296 8.170 3 U 9.108e+02 0.00e+00 - 0 1328 960 221 0 # 41 LEU HA 410 4.078 57.296 7.887 3 U 2.571e+03 0.00e+00 - 0 1328 960 81 0 # 41 LEU HA 411 4.078 57.296 1.911 3 U 2.213e+03 0.00e+00 - 0 1328 960 1461 0 # 41 LEU HA 412 4.078 57.296 1.751 3 U 2.054e+03 0.00e+00 - 0 1328 960 1492 0 # 41 LEU HA 413 4.078 57.296 1.532 3 U 1.017e+03 0.00e+00 - 0 1328 960 1400 0 # 41 LEU HA 414 4.078 57.296 1.333 3 U 3.054e+03 0.00e+00 - 0 1328 960 1434 0 # 41 LEU HA 415 4.078 57.296 0.851 3 U 7.079e+03 0.00e+00 - 0 1328 960 1493 0 # 41 LEU HA 416 4.078 57.296 0.771 3 U 2.632e+03 0.00e+00 - 0 1328 960 1496 0 # 41 LEU HA 417 1.331 42.534 8.328 3 U -8.360e+02 0.00e+00 - 0 1434 961 117 0 # 41 LEU HB2 418 1.331 42.534 7.885 3 U -1.520e+03 0.00e+00 - 0 1434 961 81 0 # 41 LEU HB2 419 1.331 42.534 4.082 3 U -2.175e+03 0.00e+00 - 0 1434 961 1328 0 # 41 LEU HB2 420 1.331 42.534 3.413 3 U -5.129e+02 0.00e+00 - 0 1434 961 1326 0 # 41 LEU HB2 421 1.331 42.534 1.914 3 U -1.203e+04 0.00e+00 - 0 1434 961 1461 0 # 41 LEU HB2 422 1.331 42.534 1.743 4 U -2.394e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HB2 423 1.331 42.534 0.852 4 U -5.021e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HB2 424 1.331 42.534 0.772 3 U -3.971e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HB2 425 1.909 42.534 8.318 3 U -1.536e+03 0.00e+00 - 0 1461 961 117 0 # 41 LEU HB3 426 1.909 42.534 7.888 3 U -2.619e+03 0.00e+00 - 0 1461 961 81 0 # 41 LEU HB3 427 1.909 42.534 4.081 3 U -1.434e+03 0.00e+00 - 0 1461 961 1328 0 # 41 LEU HB3 428 1.909 42.534 3.412 3 U -1.450e+03 0.00e+00 - 0 1461 961 1326 0 # 41 LEU HB3 429 1.909 42.534 0.770 3 U -3.382e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HB3 430 1.909 42.534 0.851 4 U -2.583e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HB3 431 1.909 42.534 1.335 3 U -1.086e+04 0.00e+00 - 0 1461 961 1434 0 # 41 LEU HB3 432 1.909 42.534 1.753 3 U -3.579e+03 0.00e+00 - 0 1461 961 1492 0 # 41 LEU HB3 433 1.749 26.902 8.075 3 U -8.310e+02 0.00e+00 - 0 0 0 0 0 # 41 LEU HG 434 1.749 26.902 7.884 3 U -2.232e+03 0.00e+00 - 0 1492 1491 81 0 # 41 LEU HG 435 1.749 26.902 4.068 3 U -2.643e+03 0.00e+00 - 0 1492 1491 1328 0 # 41 LEU HG 436 1.749 26.902 0.852 3 U -3.350e+03 0.00e+00 - 0 1492 1491 1493 0 # 41 LEU HG 437 1.749 26.902 1.336 3 U -1.371e+03 0.00e+00 - 0 1492 1491 1434 0 # 41 LEU HG 438 0.849 23.979 8.018 3 U -6.292e+02 0.00e+00 - 0 1493 1494 145 0 # 41 LEU HD1 439 0.849 23.979 7.885 3 U -1.097e+03 0.00e+00 - 0 1493 1494 81 0 # 41 LEU HD1 440 0.849 23.979 7.443 3 U -7.537e+02 0.00e+00 - 0 1493 1494 109 0 # 41 LEU HD1 441 0.849 23.979 3.924 4 U -1.281e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HD1 442 0.849 23.979 4.080 3 U -9.100e+03 0.00e+00 - 0 1493 1494 1328 0 # 41 LEU HD1 443 0.849 23.979 1.886 4 U -4.283e+03 0.00e+00 - 0 1493 1494 1461 0 # 41 LEU HD1 444 0.849 23.979 1.750 3 U -1.080e+04 0.00e+00 - 0 0 0 0 0 # 41 LEU HD1 445 0.849 23.979 1.527 4 U -1.338e+04 0.00e+00 - 0 0 0 0 0 # 41 LEU HD1 446 0.849 23.979 1.315 3 U -6.668e+03 0.00e+00 - 0 1493 1494 1434 0 # 41 LEU HD1 447 0.849 23.979 4.233 4 U -1.283e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HD1 448 0.769 25.776 7.896 3 U -7.316e+02 0.00e+00 - 0 1496 1495 81 0 # 41 LEU HD2 449 0.769 25.776 3.405 3 U -3.366e+03 0.00e+00 - 0 1496 1495 1326 0 # 41 LEU HD2 450 0.769 25.776 4.087 3 U -1.141e+03 0.00e+00 - 0 1496 1495 1328 0 # 41 LEU HD2 451 0.769 25.776 3.876 3 U -2.161e+03 0.00e+00 - 0 1496 1495 1351 0 # 41 LEU HD2 452 0.769 25.776 1.905 3 U -4.192e+03 0.00e+00 - 0 1496 1495 1461 0 # 41 LEU HD2 453 0.769 25.776 1.340 3 U -3.635e+03 0.00e+00 - 0 1496 1495 1434 0 # 41 LEU HD2 454 3.860 57.962 0.089 3 U 1.124e+03 0.00e+00 - 0 1329 1015 1533 0 # 42 LEU HA 455 3.860 57.962 0.605 3 U 4.812e+03 0.00e+00 - 0 1329 1015 1532 0 # 42 LEU HA 456 3.860 57.962 0.803 3 U 1.986e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HA 457 3.860 57.962 1.451 3 U 2.412e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HA 458 3.860 57.962 1.564 3 U 2.335e+03 0.00e+00 - 0 1329 1015 1462 0 # 42 LEU HA 459 3.860 57.962 1.675 4 U 2.708e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HA 460 3.860 57.962 8.319 3 U 1.435e+03 0.00e+00 - 0 1329 1015 117 0 # 42 LEU HA 461 1.385 39.646 0.088 3 U -1.076e+03 0.00e+00 - 0 1435 1016 1533 0 # 42 LEU HB2 462 1.385 39.646 0.606 3 U -6.115e+02 0.00e+00 - 0 1435 1016 1532 0 # 42 LEU HB2 463 1.385 39.646 1.565 3 U -3.036e+03 0.00e+00 - 0 1435 1016 1462 0 # 42 LEU HB2 464 1.385 39.646 1.672 3 U -1.598e+03 0.00e+00 - 0 1435 1016 1530 0 # 42 LEU HB2 465 1.385 39.646 8.330 3 U -8.601e+02 0.00e+00 - 0 1435 1016 117 0 # 42 LEU HB2 466 1.563 39.646 0.090 3 U -6.925e+02 0.00e+00 - 0 1462 1016 1533 0 # 42 LEU HB3 467 1.563 39.646 0.606 3 U -5.945e+02 0.00e+00 - 0 1462 1016 1532 0 # 42 LEU HB3 468 1.563 39.646 1.392 3 U -2.391e+03 0.00e+00 - 0 1462 1016 1435 0 # 42 LEU HB3 469 1.563 39.646 1.695 3 U -1.347e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HB3 470 1.563 39.646 3.884 4 U -5.101e+02 0.00e+00 - 0 1462 1016 1329 0 # 42 LEU HB3 471 1.704 25.912 0.090 3 U -2.249e+03 0.00e+00 - 0 1530 1529 1533 0 # 42 LEU HG 472 1.704 25.912 0.605 3 U -1.717e+03 0.00e+00 - 0 1530 1529 1532 0 # 42 LEU HG 473 1.704 25.912 1.374 3 U -8.129e+02 0.00e+00 - 0 1530 1529 1435 0 # 42 LEU HG 474 1.704 25.912 8.328 3 U -1.428e+03 0.00e+00 - 0 1530 1529 117 0 # 42 LEU HG 475 0.599 22.115 8.319 3 U -1.289e+03 0.00e+00 - 0 1532 1531 117 0 # 42 LEU HD1 476 0.599 22.115 3.991 3 U -2.224e+03 0.00e+00 - 0 1532 1531 1347 0 # 42 LEU HD1 477 0.599 22.115 3.865 3 U -7.601e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HD1 478 0.599 22.115 1.691 3 U -8.385e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HD1 479 0.599 22.115 1.523 3 U -8.816e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HD1 480 0.599 22.115 0.959 4 U -8.146e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HD1 481 0.599 22.115 0.090 3 U -8.294e+03 0.00e+00 - 0 1532 1531 1533 0 # 42 LEU HD1 482 0.087 25.545 8.319 3 U -1.143e+03 0.00e+00 - 0 1533 1534 117 0 # 42 LEU HD2 483 0.087 25.545 3.875 3 U -1.249e+03 0.00e+00 - 0 1533 1534 1329 0 # 42 LEU HD2 484 0.087 25.545 3.385 3 U -9.397e+02 0.00e+00 - 0 1533 1534 1384 0 # 42 LEU HD2 485 0.087 25.545 3.058 3 U -1.181e+03 0.00e+00 - 0 1533 1534 1465 0 # 42 LEU HD2 486 0.087 25.545 2.905 3 U -7.296e+02 0.00e+00 - 0 1533 1534 1438 0 # 42 LEU HD2 487 0.087 25.545 1.709 3 U -4.891e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HD2 488 0.087 25.545 1.561 3 U -2.779e+03 0.00e+00 - 0 1533 1534 1462 0 # 42 LEU HD2 489 0.087 25.545 1.396 3 U -2.360e+03 0.00e+00 - 0 1533 1534 1435 0 # 42 LEU HD2 490 0.087 25.545 0.962 4 U -3.309e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HD2 491 0.087 25.545 0.741 4 U -1.141e+04 0.00e+00 - 0 0 0 0 0 # 42 LEU HD2 492 0.087 25.545 0.606 3 U -5.977e+03 0.00e+00 - 0 1533 1534 1532 0 # 42 LEU HD2 493 4.547 57.290 8.960 3 U 2.154e+03 0.00e+00 - 0 1330 990 99 0 # 43 ASP HA 494 4.547 57.290 8.163 3 U 1.097e+03 0.00e+00 - 0 1330 990 221 0 # 43 ASP HA 495 4.547 57.290 2.717 3 U 2.808e+03 0.00e+00 - 0 1330 990 1436 0 # 43 ASP HA 496 4.547 57.290 2.906 3 U 2.171e+03 0.00e+00 - 0 1330 990 1463 0 # 43 ASP HA 497 2.715 40.160 8.960 3 U -1.991e+03 0.00e+00 - 0 1436 991 99 0 # 43 ASP HB2 498 2.715 40.160 8.156 3 U -8.350e+02 0.00e+00 - 0 1436 991 221 0 # 43 ASP HB2 499 2.715 40.160 4.548 3 U -2.474e+03 0.00e+00 - 0 1436 991 1330 0 # 43 ASP HB2 500 2.715 40.160 4.284 3 U -1.480e+03 0.00e+00 - 0 1436 991 1327 0 # 43 ASP HB2 501 2.899 40.160 8.960 3 U -1.815e+03 0.00e+00 - 0 1463 991 99 0 # 43 ASP HB3 502 2.899 40.160 8.164 3 U -1.134e+03 0.00e+00 - 0 1463 991 221 0 # 43 ASP HB3 503 2.899 40.160 4.549 3 U -1.988e+03 0.00e+00 - 0 1463 991 1330 0 # 43 ASP HB3 504 2.899 40.160 4.285 3 U -1.671e+03 0.00e+00 - 0 1463 991 1327 0 # 43 ASP HB3 505 3.951 46.763 8.163 3 U -3.868e+03 0.00e+00 - 0 1331 1104 221 0 # 44 GLY HA 506 3.951 46.763 7.311 3 U -6.202e+02 0.00e+00 - 0 1331 1104 53 0 # 44 GLY HA 507 4.566 50.751 8.046 3 U 9.947e+02 0.00e+00 - 0 1332 923 149 0 # 45 ALA HA 508 4.566 50.751 7.310 3 U 2.023e+03 0.00e+00 - 0 1332 923 53 0 # 45 ALA HA 509 4.566 50.751 1.451 3 U 9.136e+03 0.00e+00 - 0 1332 923 1401 0 # 45 ALA HA 510 1.454 20.842 8.238 3 U 1.509e+03 0.00e+00 - 0 1401 924 125 0 # 45 ALA HB 511 1.454 20.842 8.031 3 U 1.101e+03 0.00e+00 - 0 1401 924 149 0 # 45 ALA HB 512 1.454 20.842 7.310 3 U 7.420e+03 0.00e+00 - 0 1401 924 53 0 # 45 ALA HB 513 1.454 20.842 4.568 3 U 1.102e+04 0.00e+00 - 0 1401 924 1332 0 # 45 ALA HB 514 1.454 20.842 3.871 3 U 2.969e+03 0.00e+00 - 0 1401 924 1329 0 # 45 ALA HB 515 1.454 20.842 0.808 3 U 1.057e+04 0.00e+00 - 0 0 0 0 0 # 45 ALA HB 516 1.454 20.842 0.912 3 U 8.068e+03 0.00e+00 - 0 0 0 0 0 # 45 ALA HB 517 4.333 55.263 8.236 3 U 2.788e+03 0.00e+00 - 0 1333 1059 125 0 # 46 ASP HA 518 4.333 55.263 8.040 3 U 8.136e+03 0.00e+00 - 0 1333 1059 149 0 # 46 ASP HA 519 4.333 55.263 2.651 3 U 2.985e+03 0.00e+00 - 0 1333 1059 1437 0 # 46 ASP HA 520 4.333 55.263 3.122 3 U 3.375e+03 0.00e+00 - 0 1333 1059 1464 0 # 46 ASP HA 521 2.650 39.630 8.256 3 U -6.030e+02 0.00e+00 - 0 1437 1060 125 0 # 46 ASP HB2 522 2.650 39.630 8.040 3 U -1.412e+03 0.00e+00 - 0 1437 1060 149 0 # 46 ASP HB2 523 2.650 39.630 4.577 3 U -7.838e+02 0.00e+00 - 0 1437 1060 1332 0 # 46 ASP HB2 524 2.650 39.630 4.335 3 U -4.397e+03 0.00e+00 - 0 1437 1060 1333 0 # 46 ASP HB2 525 2.650 39.630 3.118 3 U -3.581e+04 0.00e+00 - 0 1437 1060 1464 0 # 46 ASP HB2 526 3.120 39.630 8.046 3 U -1.036e+03 0.00e+00 - 0 1464 1060 149 0 # 46 ASP HB3 527 3.120 39.630 4.337 3 U -4.936e+03 0.00e+00 - 0 1464 1060 1333 0 # 46 ASP HB3 528 3.120 39.630 2.650 3 U -3.840e+04 0.00e+00 - 0 1464 1060 1437 0 # 46 ASP HB3 529 4.227 60.613 9.266 3 U 5.295e+03 0.00e+00 - 0 1334 1030 121 0 # 47 ILE HA 530 4.227 60.613 8.247 3 U 1.202e+03 0.00e+00 - 0 1334 1030 125 0 # 47 ILE HA 531 4.227 60.613 1.668 4 U 2.744e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE HA 532 4.227 60.613 0.941 4 U 3.801e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE HA 533 4.227 60.613 3.760 3 U 7.356e+02 0.00e+00 - 0 1334 1030 1380 0 # 47 ILE HA 534 1.661 38.757 8.238 3 U -2.008e+03 0.00e+00 - 0 1402 1031 125 0 # 47 ILE HB 535 1.661 38.757 3.849 3 U -6.232e+02 0.00e+00 - 0 1402 1031 1329 0 # 47 ILE HB 536 1.661 38.757 0.947 3 U -2.357e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE HB 537 1.661 38.757 0.803 3 U -2.028e+03 0.00e+00 - 0 1402 1031 1541 0 # 47 ILE HB 538 1.661 38.757 0.600 3 U -1.367e+03 0.00e+00 - 0 1402 1031 1532 0 # 47 ILE HB 542 0.962 17.491 9.279 3 U 1.644e+03 0.00e+00 - 0 1539 1536 121 0 # 47 ILE HG2 543 0.962 17.491 8.259 3 U 7.567e+02 0.00e+00 - 0 1539 1536 125 0 # 47 ILE HG2 544 0.962 17.491 4.231 3 U 3.989e+03 0.00e+00 - 0 1539 1536 1334 0 # 47 ILE HG2 545 0.962 17.491 3.989 3 U 7.437e+02 0.00e+00 - 0 1539 1536 1347 0 # 47 ILE HG2 546 0.962 17.491 3.860 3 U 6.482e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE HG2 547 0.962 17.491 2.988 3 U 3.579e+03 0.00e+00 - 0 1539 1536 1467 0 # 47 ILE HG2 548 0.962 17.491 2.788 3 U 1.650e+03 0.00e+00 - 0 1539 1536 1440 0 # 47 ILE HG2 549 0.962 17.491 2.405 3 U 8.120e+02 0.00e+00 - 0 1539 1536 1427 0 # 47 ILE HG2 550 0.962 17.491 1.663 3 U 8.431e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE HG2 551 0.962 17.491 1.514 3 U 5.094e+03 0.00e+00 - 0 1539 1536 1411 0 # 47 ILE HG2 552 0.962 17.491 0.088 3 U 1.374e+03 0.00e+00 - 0 1539 1536 1533 0 # 47 ILE HG2 553 0.962 17.491 0.605 3 U 5.247e+03 0.00e+00 - 0 1539 1536 1532 0 # 47 ILE HG2 559 3.754 45.453 9.272 3 U -1.925e+03 0.00e+00 - 0 1380 1023 121 0 # 48 GLY HA2 560 3.754 45.453 8.400 3 U -1.062e+03 0.00e+00 - 0 1380 1023 141 0 # 48 GLY HA2 561 3.754 45.453 4.122 3 U -6.804e+03 0.00e+00 - 0 1380 1023 1385 0 # 48 GLY HA2 562 4.127 45.453 9.272 3 U -1.524e+03 0.00e+00 - 0 1385 1023 121 0 # 48 GLY HA3 563 4.127 45.453 8.401 3 U -1.778e+03 0.00e+00 - 0 1385 1023 141 0 # 48 GLY HA3 564 4.127 45.453 3.757 3 U -6.563e+03 0.00e+00 - 0 1385 1023 1380 0 # 48 GLY HA3 565 5.468 55.028 8.815 3 U 4.449e+03 0.00e+00 - 0 1335 1043 77 0 # 49 HIS HA 566 5.468 55.028 4.817 3 U 1.417e+03 0.00e+00 - 0 1335 1043 1375 0 # 49 HIS HA 567 5.468 55.028 2.899 3 U 3.021e+03 0.00e+00 - 0 1335 1043 1438 0 # 49 HIS HA 568 5.468 55.028 3.055 3 U 3.062e+03 0.00e+00 - 0 1335 1043 1465 0 # 49 HIS HA 569 5.468 55.028 0.960 4 U 1.629e+03 0.00e+00 - 0 1335 1043 1598 0 # 49 HIS HA 570 5.468 55.028 0.088 3 U 5.608e+02 0.00e+00 - 0 1335 1043 1533 0 # 49 HIS HA 571 5.468 55.028 0.770 3 U 9.648e+02 0.00e+00 - 0 1335 1043 1589 0 # 49 HIS HA 572 2.892 31.849 8.815 3 U -7.868e+02 0.00e+00 - 0 1438 1044 77 0 # 49 HIS HB2 573 2.892 31.849 5.476 3 U -1.530e+03 0.00e+00 - 0 1438 1044 1335 0 # 49 HIS HB2 574 2.892 31.849 3.059 3 U -4.044e+03 0.00e+00 - 0 1438 1044 1465 0 # 49 HIS HB2 575 2.892 31.849 0.770 3 U -8.844e+02 0.00e+00 - 0 1438 1044 1589 0 # 49 HIS HB2 576 2.892 31.849 0.971 4 U -7.206e+02 0.00e+00 - 0 0 0 0 0 # 49 HIS HB2 577 3.063 31.849 8.824 3 U -7.246e+02 0.00e+00 - 0 1465 1044 77 0 # 49 HIS HB3 578 3.063 31.849 5.484 3 U -1.466e+03 0.00e+00 - 0 1465 1044 1335 0 # 49 HIS HB3 579 3.063 31.849 2.895 3 U -3.550e+03 0.00e+00 - 0 1465 1044 1438 0 # 49 HIS HB3 580 3.063 31.849 0.089 3 U -6.262e+02 0.00e+00 - 0 1465 1044 1533 0 # 49 HIS HB3 581 3.063 31.849 0.970 4 U -9.838e+02 0.00e+00 - 0 0 0 0 0 # 49 HIS HB3 582 4.678 53.258 8.614 3 U 4.801e+03 0.00e+00 - 0 1336 952 37 0 # 50 LEU HA 583 4.678 53.258 1.506 3 U 2.692e+03 0.00e+00 - 0 1336 952 1466 0 # 50 LEU HA 584 4.678 53.258 1.394 3 U 1.796e+03 0.00e+00 - 0 1336 952 1439 0 # 50 LEU HA 585 4.678 53.258 0.791 3 U 3.270e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU HA 586 1.389 46.321 8.809 3 U -1.001e+03 0.00e+00 - 0 1439 953 77 0 # 50 LEU HB2 587 1.389 46.321 4.684 3 U -1.243e+03 0.00e+00 - 0 1439 953 1336 0 # 50 LEU HB2 588 1.389 46.321 0.822 3 U -2.647e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU HB2 589 1.389 46.321 1.636 3 U -1.606e+03 0.00e+00 - 0 1439 953 1480 0 # 50 LEU HB2 590 1.500 46.321 8.645 3 U -9.582e+02 0.00e+00 - 0 1466 953 37 0 # 50 LEU HB3 591 1.500 46.321 4.685 3 U -1.383e+03 0.00e+00 - 0 1466 953 1336 0 # 50 LEU HB3 592 1.500 46.321 0.804 3 U -2.425e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU HB3 593 1.427 27.104 4.667 3 U -6.664e+02 0.00e+00 - 0 1543 1542 1336 0 # 50 LEU HG 594 1.427 27.104 0.737 3 U -8.964e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU HG 595 0.828 24.880 8.639 3 U -1.008e+03 0.00e+00 - 0 1545 1544 37 0 # 50 LEU HD1 596 0.828 24.880 4.688 3 U -1.691e+03 0.00e+00 - 0 1545 1544 1336 0 # 50 LEU HD1 597 0.797 25.307 8.809 3 U -7.597e+02 0.00e+00 - 0 1547 1546 77 0 # 50 LEU HD2 598 0.797 25.307 4.675 3 U -1.920e+03 0.00e+00 - 0 1547 1546 1336 0 # 50 LEU HD2 599 5.033 61.051 9.123 3 U 3.483e+03 0.00e+00 - 0 1373 898 7 0 # 51 VAL HA 600 5.033 61.051 8.619 3 U 1.015e+03 0.00e+00 - 0 1373 898 37 0 # 51 VAL HA 601 5.033 61.051 1.526 3 U 8.562e+02 0.00e+00 - 0 0 0 0 0 # 51 VAL HA 602 5.033 61.051 1.089 3 U 2.134e+03 0.00e+00 - 0 1373 898 1549 0 # 51 VAL HA 603 5.033 61.051 0.890 3 U 2.587e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL HA 604 5.033 61.051 0.767 4 U 1.151e+03 0.00e+00 - 0 1373 898 1589 0 # 51 VAL HA 605 2.077 32.502 8.632 3 U -1.792e+03 0.00e+00 - 0 1425 899 37 0 # 51 VAL HB 606 2.077 32.502 1.096 3 U -4.357e+03 0.00e+00 - 0 1425 899 1549 0 # 51 VAL HB 607 2.077 32.502 0.889 3 U -5.198e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL HB 608 1.099 21.532 9.538 3 U -6.030e+02 0.00e+00 - 0 1549 1548 5 0 # 51 VAL HG1 609 1.099 21.532 9.135 3 U -8.915e+02 0.00e+00 - 0 1549 1548 7 0 # 51 VAL HG1 610 1.099 21.532 8.775 3 U -7.908e+02 0.00e+00 - 0 1549 1548 77 0 # 51 VAL HG1 611 1.099 21.532 8.633 3 U -3.085e+03 0.00e+00 - 0 1549 1548 37 0 # 51 VAL HG1 612 1.099 21.532 6.492 4 U -5.511e+03 0.00e+00 - 0 1549 1548 1899 0 # 51 VAL HG1 613 1.099 21.532 5.037 3 U -4.743e+03 0.00e+00 - 0 1549 1548 1373 0 # 51 VAL HG1 614 1.099 21.532 4.857 3 U -1.369e+03 0.00e+00 - 0 1549 1548 1371 0 # 51 VAL HG1 615 1.099 21.532 4.672 3 U -5.910e+02 0.00e+00 - 0 1549 1548 1336 0 # 51 VAL HG1 616 1.099 21.532 2.080 3 U -9.498e+03 0.00e+00 - 0 1549 1548 1425 0 # 51 VAL HG1 617 1.099 21.532 0.759 3 U -8.657e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL HG1 618 1.099 21.532 0.878 3 U -1.622e+04 0.00e+00 - 0 0 0 0 0 # 51 VAL HG1 619 0.888 21.983 9.124 3 U -2.121e+03 0.00e+00 - 0 1551 1550 7 0 # 51 VAL HG2 620 0.888 21.983 8.645 3 U -1.032e+03 0.00e+00 - 0 1551 1550 37 0 # 51 VAL HG2 621 0.888 21.983 5.036 3 U -4.050e+03 0.00e+00 - 0 1551 1550 1373 0 # 51 VAL HG2 622 0.888 21.983 4.864 3 U -1.171e+03 0.00e+00 - 0 1551 1550 1371 0 # 51 VAL HG2 623 0.888 21.983 4.673 3 U -5.612e+02 0.00e+00 - 0 1551 1550 1336 0 # 51 VAL HG2 624 0.888 21.983 3.107 3 U -9.099e+02 0.00e+00 - 0 1551 1550 1758 0 # 51 VAL HG2 625 0.888 21.983 3.221 3 U -7.436e+02 0.00e+00 - 0 1551 1550 1757 0 # 51 VAL HG2 626 0.888 21.983 2.079 3 U -6.973e+03 0.00e+00 - 0 1551 1550 1425 0 # 51 VAL HG2 627 0.888 21.983 1.936 4 U -1.685e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL HG2 628 0.888 21.983 1.687 3 U -2.671e+03 0.00e+00 - 0 1551 1550 1737 0 # 51 VAL HG2 629 1.505 44.761 9.124 3 U -9.014e+02 0.00e+00 - 0 1552 857 7 0 # 52 LEU HB2 631 1.505 44.761 0.840 4 U -1.387e+03 0.00e+00 - 0 0 0 0 0 # 52 LEU HB2 632 1.673 44.761 9.138 3 U -6.413e+02 0.00e+00 - 0 1422 857 7 0 # 52 LEU HB3 633 1.673 44.761 0.834 4 U -3.285e+03 0.00e+00 - 0 0 0 0 0 # 52 LEU HB3 634 1.530 27.067 9.132 3 U -7.838e+02 0.00e+00 - 0 1554 1553 7 0 # 52 LEU HG 635 0.837 25.558 9.105 3 U -5.292e+02 0.00e+00 - 0 1556 1555 7 0 # 52 LEU HD1 636 0.837 25.558 7.244 4 U -6.151e+02 0.00e+00 - 0 0 0 0 0 # 52 LEU HD1 637 0.837 25.558 1.647 4 U -4.044e+03 0.00e+00 - 0 0 0 0 0 # 52 LEU HD1 638 0.837 24.005 9.113 3 U -5.768e+02 0.00e+00 - 0 1558 1557 7 0 # 52 LEU HD2 639 0.837 24.005 8.652 4 U -1.004e+03 0.00e+00 - 0 1558 1557 45 0 # 52 LEU HD2 640 0.837 24.005 7.318 4 U -6.905e+02 0.00e+00 - 0 0 0 0 0 # 52 LEU HD2 641 2.635 41.614 8.677 4 U -8.209e+02 0.00e+00 - 0 0 0 0 0 # 53 ASP HB2 642 2.635 41.614 2.773 3 U -6.828e+03 0.00e+00 - 0 1448 1688 1475 0 # 53 ASP HB2 643 2.772 41.614 4.795 3 U -1.339e+03 0.00e+00 - 0 1475 1688 1365 0 # 53 ASP HB3 644 4.289 55.950 8.706 3 U 8.810e+02 0.00e+00 - 0 1358 956 79 0 # 54 GLN HA 645 4.289 55.950 2.785 3 U 5.878e+02 0.00e+00 - 0 1358 956 1475 0 # 54 GLN HA 646 4.289 55.950 2.311 3 U 1.750e+03 0.00e+00 - 0 1358 956 1560 0 # 54 GLN HA 647 4.289 55.950 2.077 3 U 2.225e+03 0.00e+00 - 0 1358 956 1418 0 # 54 GLN HA 648 4.289 55.950 1.931 3 U 2.185e+03 0.00e+00 - 0 1358 956 1559 0 # 54 GLN HA 649 1.936 29.859 8.697 3 U -1.146e+03 0.00e+00 - 0 1559 957 79 0 # 54 GLN HB2 650 1.936 29.859 4.292 3 U -1.430e+03 0.00e+00 - 0 1559 957 1358 0 # 54 GLN HB2 651 2.080 29.859 8.701 3 U -1.083e+03 0.00e+00 - 0 1418 957 79 0 # 54 GLN HB3 652 2.303 34.068 8.699 3 U -1.012e+03 0.00e+00 - 0 1560 1561 79 0 # 54 GLN HG 653 2.303 34.068 7.497 3 U -1.534e+03 0.00e+00 - 0 1560 1561 1689 0 # 54 GLN HG 654 2.303 34.068 6.873 4 U -5.966e+02 0.00e+00 - 0 1560 1561 1691 0 # 54 GLN HG 655 2.303 34.068 4.295 3 U -1.729e+03 0.00e+00 - 0 1560 1561 1358 0 # 54 GLN HG 656 2.303 34.068 1.947 3 U -3.008e+03 0.00e+00 - 0 1560 1561 1559 0 # 54 GLN HG 657 2.303 34.068 2.082 3 U -5.254e+03 0.00e+00 - 0 1560 1561 1418 0 # 54 GLN HG 658 2.303 34.068 1.700 4 U -5.768e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HG 659 2.303 34.068 0.964 4 U -5.030e+02 0.00e+00 - 0 1560 1561 1713 0 # 54 GLN HG 660 4.686 53.452 2.833 4 U 8.340e+03 0.00e+00 - 0 0 0 0 0 # 55 ASN HA 661 2.835 39.052 8.565 3 U -7.266e+02 0.00e+00 - 0 0 0 0 0 # 55 ASN HB 662 2.835 39.052 4.689 3 U -2.422e+03 0.00e+00 - 0 1421 1693 1364 0 # 55 ASN HB 663 4.572 55.274 2.542 3 U 1.040e+03 0.00e+00 - 0 1363 1697 1702 0 # 56 MET HA 665 4.572 55.274 2.057 3 U 2.159e+03 0.00e+00 - 0 0 0 0 0 # 56 MET HA 666 4.572 55.274 2.187 4 U 3.829e+03 0.00e+00 - 0 0 0 0 0 # 56 MET HA 667 4.572 55.274 8.595 4 U 1.184e+03 0.00e+00 - 0 0 0 0 0 # 56 MET HA 668 2.051 32.941 2.629 3 U -9.000e+02 0.00e+00 - 0 1420 1698 1701 0 # 56 MET HB2 669 2.051 32.941 2.514 3 U -6.854e+02 0.00e+00 - 0 1420 1698 1702 0 # 56 MET HB2 670 2.051 32.941 4.574 3 U -1.035e+03 0.00e+00 - 0 1420 1698 1363 0 # 56 MET HB2 671 2.146 32.941 4.569 3 U -1.133e+03 0.00e+00 - 0 1699 1698 1363 0 # 56 MET HB3 672 2.146 32.941 2.507 4 U -7.547e+02 0.00e+00 - 0 1699 1698 1702 0 # 56 MET HB3 673 2.146 32.941 2.614 3 U -8.219e+02 0.00e+00 - 0 1699 1698 1701 0 # 56 MET HB3 674 2.527 32.049 4.561 3 U -7.045e+02 0.00e+00 - 0 1702 1700 1363 0 # 56 MET HG2 675 2.527 32.049 2.055 3 U -1.508e+03 0.00e+00 - 0 1702 1700 1420 0 # 56 MET HG2 676 2.527 32.049 2.158 3 U -5.456e+02 0.00e+00 - 0 1702 1700 1699 0 # 56 MET HG2 677 2.610 32.049 4.561 3 U -6.864e+02 0.00e+00 - 0 1701 1700 1363 0 # 56 MET HG3 678 2.610 32.049 2.062 3 U -1.269e+03 0.00e+00 - 0 1701 1700 1420 0 # 56 MET HG3 679 2.610 32.049 2.157 3 U -7.697e+02 0.00e+00 - 0 1701 1700 1699 0 # 56 MET HG3 680 2.610 32.049 0.842 4 U -6.714e+02 0.00e+00 - 0 0 0 0 0 # 56 MET HG3 681 4.530 57.959 8.128 3 U 2.307e+03 0.00e+00 - 0 1337 1704 49 0 # 57 SER HA 682 4.530 57.959 3.903 4 U 9.681e+03 0.00e+00 - 0 0 0 0 0 # 57 SER HA 683 4.243 61.288 8.209 3 U 3.699e+03 0.00e+00 - 0 1338 916 27 0 # 58 ILE HA 684 4.243 61.288 1.933 3 U 3.138e+03 0.00e+00 - 0 1338 916 1404 0 # 58 ILE HA 685 4.243 61.288 0.905 3 U 4.773e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE HA 686 4.243 61.288 1.178 3 U 1.609e+03 0.00e+00 - 0 1338 916 1565 0 # 58 ILE HA 687 4.243 61.288 1.459 3 U 1.433e+03 0.00e+00 - 0 1338 916 1564 0 # 58 ILE HA 688 1.930 38.500 8.235 4 U -9.426e+02 0.00e+00 - 0 1404 917 27 0 # 58 ILE HB 689 1.930 38.500 8.128 3 U -1.036e+03 0.00e+00 - 0 1404 917 49 0 # 58 ILE HB 690 1.930 38.500 4.248 3 U -2.278e+03 0.00e+00 - 0 1404 917 1338 0 # 58 ILE HB 691 1.930 38.500 0.905 3 U -6.620e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE HB 692 1.930 38.500 1.193 3 U -8.721e+02 0.00e+00 - 0 1404 917 1565 0 # 58 ILE HB 693 1.930 38.500 1.466 3 U -1.837e+03 0.00e+00 - 0 1404 917 1564 0 # 58 ILE HB 694 1.462 27.342 8.113 3 U -8.179e+02 0.00e+00 - 0 1564 1562 49 0 # 58 ILE HG12 695 1.462 27.342 4.233 3 U -9.795e+02 0.00e+00 - 0 1564 1562 1338 0 # 58 ILE HG12 696 1.462 27.342 1.925 3 U -2.615e+03 0.00e+00 - 0 1564 1562 1404 0 # 58 ILE HG12 697 1.462 27.342 1.191 3 U -2.677e+04 0.00e+00 - 0 1564 1562 1565 0 # 58 ILE HG12 698 1.462 27.342 0.889 3 U -5.905e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE HG12 699 1.188 27.342 8.128 3 U -7.115e+02 0.00e+00 - 0 1565 1562 49 0 # 58 ILE HG13 700 1.188 27.342 1.936 3 U -1.367e+03 0.00e+00 - 0 1565 1562 1404 0 # 58 ILE HG13 701 1.188 27.342 1.464 3 U -2.491e+04 0.00e+00 - 0 1565 1562 1564 0 # 58 ILE HG13 702 0.915 17.910 8.191 3 U 7.889e+02 0.00e+00 - 0 1566 1563 27 0 # 58 ILE HG2 703 0.915 17.910 8.093 4 U 7.105e+02 0.00e+00 - 0 1566 1563 49 0 # 58 ILE HG2 704 0.915 17.910 4.387 3 U 1.043e+03 0.00e+00 - 0 1566 1563 1339 0 # 58 ILE HG2 705 0.915 17.910 3.988 4 U 5.523e+02 0.00e+00 - 0 0 0 0 0 # 58 ILE HG2 706 0.915 17.910 4.244 3 U 4.744e+03 0.00e+00 - 0 1566 1563 1338 0 # 58 ILE HG2 707 0.915 17.910 3.909 4 U 8.170e+02 0.00e+00 - 0 1566 1563 1403 0 # 58 ILE HG2 708 0.915 17.910 1.928 3 U 8.147e+03 0.00e+00 - 0 1566 1563 1404 0 # 58 ILE HG2 709 0.874 13.478 4.250 3 U 1.712e+03 0.00e+00 - 0 1568 1567 1338 0 # 58 ILE HD1 710 0.874 13.478 4.396 3 U 5.957e+02 0.00e+00 - 0 1568 1567 1339 0 # 58 ILE HD1 711 0.874 13.478 1.932 3 U 3.727e+03 0.00e+00 - 0 1568 1567 1404 0 # 58 ILE HD1 712 0.874 13.478 1.340 4 U 1.932e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE HD1 713 0.874 13.478 1.455 3 U 5.673e+03 0.00e+00 - 0 1568 1567 1564 0 # 58 ILE HD1 714 0.874 13.478 1.203 3 U 9.204e+03 0.00e+00 - 0 1568 1567 1565 0 # 58 ILE HD1 715 0.874 13.478 1.126 4 U 6.532e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE HD1 716 4.382 55.046 8.346 4 U 2.162e+03 0.00e+00 - 0 1339 883 61 0 # 59 LEU HA 717 4.382 55.046 8.210 3 U 1.240e+03 0.00e+00 - 0 1339 883 27 0 # 59 LEU HA 718 4.382 55.046 3.479 4 U 8.633e+02 0.00e+00 - 0 0 0 0 0 # 59 LEU HA 719 4.382 55.046 0.897 4 U 4.773e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HA 720 4.382 55.046 1.626 4 U 5.223e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HA 721 1.607 42.342 8.213 3 U -1.482e+03 0.00e+00 - 0 1405 884 27 0 # 59 LEU HB2 722 1.607 42.342 4.386 3 U -2.331e+03 0.00e+00 - 0 1405 884 1339 0 # 59 LEU HB2 723 1.607 42.342 0.912 3 U -3.687e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HB2 724 1.659 42.342 8.210 3 U -1.226e+03 0.00e+00 - 0 1569 884 27 0 # 59 LEU HB3 725 1.659 42.342 4.403 4 U -3.669e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HB3 726 1.659 42.342 0.922 3 U -5.398e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HB3 728 1.624 27.070 8.211 4 U -1.222e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HG 729 0.942 25.059 4.394 3 U -1.490e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HD1 730 0.942 25.059 1.641 4 U -1.059e+04 0.00e+00 - 0 0 0 0 0 # 59 LEU HD1 731 0.884 23.546 8.244 4 U -7.085e+02 0.00e+00 - 0 1575 1573 27 0 # 59 LEU HD2 732 0.884 23.546 4.399 3 U -8.532e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HD2 733 0.884 23.546 1.643 4 U -1.276e+04 0.00e+00 - 0 0 0 0 0 # 59 LEU HD2 734 4.244 56.863 8.101 4 U 6.904e+02 0.00e+00 - 0 0 0 0 0 # 60 GLU HA 735 4.244 56.863 8.348 3 U 1.909e+03 0.00e+00 - 0 1340 936 61 0 # 60 GLU HA 736 4.244 56.863 8.446 3 U 1.362e+03 0.00e+00 - 0 1340 936 213 0 # 60 GLU HA 737 4.244 56.863 2.281 4 U 3.926e+03 0.00e+00 - 0 0 0 0 0 # 60 GLU HA 738 4.244 56.863 2.058 4 U 4.869e+03 0.00e+00 - 0 0 0 0 0 # 60 GLU HA 739 2.002 29.900 8.340 3 U -9.639e+02 0.00e+00 - 0 1406 937 61 0 # 60 GLU HB2 740 2.002 29.900 0.851 4 U -5.385e+02 0.00e+00 - 0 1406 937 1575 0 # 60 GLU HB2 741 2.077 29.900 8.379 3 U -7.447e+02 0.00e+00 - 0 0 0 0 0 # 60 GLU HB3 742 2.077 29.900 0.875 3 U -5.477e+02 0.00e+00 - 0 1576 937 1575 0 # 60 GLU HB3 743 2.280 36.276 8.353 3 U -1.026e+03 0.00e+00 - 0 1577 1578 61 0 # 60 GLU HG 744 2.280 36.276 8.450 3 U -5.753e+02 0.00e+00 - 0 1577 1578 213 0 # 60 GLU HG 745 2.280 36.276 0.937 3 U -1.127e+03 0.00e+00 - 0 1577 1578 1574 0 # 60 GLU HG 746 3.916 45.490 8.440 3 U -6.543e+02 0.00e+00 - 0 1381 1095 213 0 # 61 GLY HA2 747 4.103 45.490 8.440 3 U -1.188e+03 0.00e+00 - 0 1386 1095 213 0 # 61 GLY HA3 748 4.103 45.490 0.931 4 U -6.463e+02 0.00e+00 - 0 0 0 0 0 # 61 GLY HA3 749 4.509 57.968 8.320 3 U 2.284e+03 0.00e+00 - 0 1341 1077 39 0 # 62 SER HA 750 4.509 57.968 8.153 3 U 9.677e+02 0.00e+00 - 0 1341 1077 159 0 # 62 SER HA 751 3.916 63.549 8.137 4 U 6.653e+02 0.00e+00 - 0 0 0 0 0 # 62 SER HB 752 3.916 63.549 4.512 4 U 1.741e+04 0.00e+00 - 0 0 0 0 0 # 62 SER HB 753 3.916 63.549 0.870 4 U 1.952e+03 0.00e+00 - 0 0 0 0 0 # 62 SER HB 754 3.916 63.549 0.965 4 U 1.505e+03 0.00e+00 - 0 1407 1078 1776 0 # 62 SER HB 755 3.916 63.549 1.535 4 U 9.478e+02 0.00e+00 - 0 0 0 0 0 # 62 SER HB 756 3.916 63.549 1.633 4 U 1.587e+03 0.00e+00 - 0 0 0 0 0 # 62 SER HB 757 4.423 55.071 8.345 4 U 2.060e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU HA 758 4.423 55.071 3.962 4 U 1.412e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU HA 759 4.423 55.071 0.314 4 U 7.155e+02 0.00e+00 - 0 0 0 0 0 # 63 LEU HA 760 4.423 55.071 0.906 4 U 5.038e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU HA 761 4.423 55.071 1.669 4 U 5.713e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU HA 762 1.654 42.513 8.323 3 U -8.229e+02 0.00e+00 - 0 0 0 0 0 # 63 LEU HB2 763 1.654 42.513 4.408 3 U -2.996e+03 0.00e+00 - 0 1408 902 1342 0 # 63 LEU HB2 764 1.654 42.513 0.926 4 U -4.973e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU HB2 765 1.724 42.513 4.421 3 U -2.133e+03 0.00e+00 - 0 1579 902 1342 0 # 63 LEU HB3 766 1.724 42.513 0.919 3 U -3.322e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU HB3 768 3.995 45.234 0.946 4 U -8.957e+02 0.00e+00 - 0 0 0 0 0 # 64 GLY HA 769 3.995 45.234 7.983 3 U -2.566e+03 0.00e+00 - 0 1361 1098 113 0 # 64 GLY HA 770 3.995 45.234 8.357 3 U -1.383e+03 0.00e+00 - 0 1361 1098 215 0 # 64 GLY HA 771 4.211 61.770 8.481 3 U 6.331e+03 0.00e+00 - 0 1362 1007 9 0 # 65 VAL HA 772 4.211 61.770 7.991 3 U 7.688e+02 0.00e+00 - 0 1362 1007 113 0 # 65 VAL HA 773 4.211 61.770 2.078 3 U 1.995e+03 0.00e+00 - 0 1362 1007 1419 0 # 65 VAL HA 774 4.211 61.770 0.944 4 U 6.058e+03 0.00e+00 - 0 0 0 0 0 # 65 VAL HA 775 2.076 32.817 8.469 3 U -7.095e+02 0.00e+00 - 0 1419 1008 9 0 # 65 VAL HB 776 2.076 32.817 7.984 3 U -1.494e+03 0.00e+00 - 0 1419 1008 113 0 # 65 VAL HB 777 2.076 32.817 4.217 3 U -1.428e+03 0.00e+00 - 0 1419 1008 1362 0 # 65 VAL HB 778 2.076 32.817 0.943 4 U -8.987e+03 0.00e+00 - 0 0 0 0 0 # 65 VAL HB 779 0.932 21.504 8.488 3 U -1.237e+03 0.00e+00 - 0 1586 1583 9 0 # 65 VAL HG1 780 0.932 21.504 6.792 3 U -5.115e+02 0.00e+00 - 0 0 0 0 0 # 65 VAL HG1 781 0.932 21.504 4.462 4 U -6.935e+02 0.00e+00 - 0 1586 1583 1707 0 # 65 VAL HG1 782 0.932 21.504 4.214 3 U -3.851e+03 0.00e+00 - 0 1586 1583 1362 0 # 65 VAL HG1 783 0.932 21.504 2.069 3 U -6.644e+03 0.00e+00 - 0 1586 1583 1419 0 # 65 VAL HG1 784 0.955 20.864 8.476 3 U 1.151e+03 0.00e+00 - 0 1585 1584 9 0 # 65 VAL HG2 785 0.955 20.864 7.982 3 U 3.423e+03 0.00e+00 - 0 1585 1584 113 0 # 65 VAL HG2 786 0.955 20.864 4.212 3 U 5.247e+03 0.00e+00 - 0 1585 1584 1362 0 # 65 VAL HG2 787 0.955 20.864 2.078 3 U 9.420e+03 0.00e+00 - 0 1585 1584 1419 0 # 65 VAL HG2 788 4.484 58.335 8.507 4 U 1.137e+03 0.00e+00 - 0 1707 860 9 0 # 66 ILE HA 789 4.484 58.335 4.041 3 U 5.632e+03 0.00e+00 - 0 1707 860 1723 0 # 66 ILE HA 790 4.484 58.335 3.658 3 U 3.545e+03 0.00e+00 - 0 1707 860 1725 0 # 66 ILE HA 791 4.484 58.335 1.847 3 U 1.796e+03 0.00e+00 - 0 1707 860 1708 0 # 66 ILE HA 792 4.484 58.335 1.177 3 U 1.219e+03 0.00e+00 - 0 1707 860 1712 0 # 66 ILE HA 793 4.484 58.335 0.987 3 U 3.158e+03 0.00e+00 - 0 1707 860 1713 0 # 66 ILE HA 794 4.484 58.335 0.861 3 U 1.756e+03 0.00e+00 - 0 1707 860 1715 0 # 66 ILE HA 795 1.845 38.956 8.481 3 U -2.252e+03 0.00e+00 - 0 1708 861 9 0 # 66 ILE HB 796 1.845 38.956 4.476 3 U -1.548e+03 0.00e+00 - 0 1708 861 1707 0 # 66 ILE HB 797 1.845 38.956 3.659 3 U -6.122e+02 0.00e+00 - 0 1708 861 1725 0 # 66 ILE HB 798 1.845 38.956 1.574 3 U -2.164e+03 0.00e+00 - 0 1708 861 1711 0 # 66 ILE HB 799 1.845 38.956 1.190 3 U -1.311e+03 0.00e+00 - 0 1708 861 1712 0 # 66 ILE HB 800 1.845 38.956 0.987 3 U -4.715e+03 0.00e+00 - 0 1708 861 1713 0 # 66 ILE HB 801 1.845 38.956 0.864 3 U -2.067e+03 0.00e+00 - 0 1708 861 1715 0 # 66 ILE HB 802 1.196 27.336 8.482 3 U -1.313e+03 0.00e+00 - 0 1712 1709 9 0 # 66 ILE HG12 803 1.196 27.336 4.486 3 U -1.733e+03 0.00e+00 - 0 1712 1709 1707 0 # 66 ILE HG12 804 1.196 27.336 1.834 3 U -1.697e+03 0.00e+00 - 0 1712 1709 1708 0 # 66 ILE HG12 805 1.568 27.336 8.479 3 U -1.800e+03 0.00e+00 - 0 1711 1709 9 0 # 66 ILE HG13 806 1.568 27.336 4.486 3 U -1.129e+03 0.00e+00 - 0 1711 1709 1707 0 # 66 ILE HG13 807 1.568 27.336 0.988 3 U -3.016e+03 0.00e+00 - 0 1711 1709 1713 0 # 66 ILE HG13 808 1.568 27.336 0.853 3 U -5.704e+03 0.00e+00 - 0 1711 1709 1715 0 # 66 ILE HG13 809 1.568 27.336 1.197 3 U -2.012e+04 0.00e+00 - 0 1711 1709 1712 0 # 66 ILE HG13 810 0.991 17.339 8.673 4 U 6.371e+02 0.00e+00 - 0 0 0 0 0 # 66 ILE HG2 811 0.991 17.339 8.473 3 U 7.618e+02 0.00e+00 - 0 1713 1710 9 0 # 66 ILE HG2 812 0.991 17.339 4.486 3 U 4.750e+03 0.00e+00 - 0 1713 1710 1707 0 # 66 ILE HG2 813 0.991 17.339 4.033 3 U 1.716e+03 0.00e+00 - 0 1713 1710 1723 0 # 66 ILE HG2 814 0.991 17.339 3.898 4 U 5.025e+02 0.00e+00 - 0 0 0 0 0 # 66 ILE HG2 815 0.991 17.339 3.658 3 U 3.303e+03 0.00e+00 - 0 1713 1710 1725 0 # 66 ILE HG2 816 0.991 17.339 2.776 3 U 6.572e+02 0.00e+00 - 0 1713 1710 1475 0 # 66 ILE HG2 817 0.991 17.339 1.847 3 U 6.581e+03 0.00e+00 - 0 1713 1710 1708 0 # 66 ILE HG2 818 0.991 17.339 1.964 3 U 1.855e+03 0.00e+00 - 0 1713 1710 1559 0 # 66 ILE HG2 819 0.991 17.339 1.578 4 U 3.182e+03 0.00e+00 - 0 1713 1710 1711 0 # 66 ILE HG2 820 0.852 13.220 8.482 3 U 6.492e+02 0.00e+00 - 0 1715 1714 9 0 # 66 ILE HD1 821 0.852 13.220 4.485 3 U 2.029e+03 0.00e+00 - 0 1715 1714 1707 0 # 66 ILE HD1 822 0.852 13.220 4.024 3 U 6.063e+02 0.00e+00 - 0 1715 1714 1723 0 # 66 ILE HD1 823 0.852 13.220 3.892 4 U 6.582e+02 0.00e+00 - 0 0 0 0 0 # 66 ILE HD1 824 0.852 13.220 3.071 4 U 6.014e+02 0.00e+00 - 0 0 0 0 0 # 66 ILE HD1 825 0.852 13.220 2.094 3 U 1.192e+03 0.00e+00 - 0 1715 1714 1419 0 # 66 ILE HD1 826 0.852 13.220 1.844 3 U 3.886e+03 0.00e+00 - 0 1715 1714 1708 0 # 66 ILE HD1 827 0.852 13.220 1.696 4 U 1.505e+03 0.00e+00 - 0 0 0 0 0 # 66 ILE HD1 828 0.852 13.220 1.569 3 U 7.715e+03 0.00e+00 - 0 1715 1714 1711 0 # 66 ILE HD1 829 0.852 13.220 1.318 4 U 1.557e+03 0.00e+00 - 0 0 0 0 0 # 66 ILE HD1 830 0.852 13.220 1.183 3 U 9.488e+03 0.00e+00 - 0 1715 1714 1712 0 # 66 ILE HD1 831 4.311 62.615 7.964 3 U 3.966e+03 0.00e+00 - 0 1733 1732 71 0 # 67 PRO HA 832 4.311 62.615 5.131 3 U 1.000e+03 0.00e+00 - 0 1733 1732 1318 0 # 67 PRO HA 833 4.311 62.615 2.036 3 U 2.973e+03 0.00e+00 - 0 0 0 0 0 # 67 PRO HA 834 4.311 62.615 1.941 3 U 1.380e+03 0.00e+00 - 0 1733 1732 1728 0 # 67 PRO HA 835 4.311 62.615 1.668 3 U 1.324e+03 0.00e+00 - 0 1733 1732 1731 0 # 67 PRO HA 836 1.662 32.172 7.974 4 U -8.219e+02 0.00e+00 - 0 1731 1729 71 0 # 67 PRO HB2 837 1.662 32.172 4.312 3 U -1.900e+03 0.00e+00 - 0 1731 1729 1733 0 # 67 PRO HB2 838 1.662 32.172 2.039 3 U -1.059e+04 0.00e+00 - 0 0 0 0 0 # 67 PRO HB2 839 2.042 32.172 5.111 3 U -5.555e+02 0.00e+00 - 0 1730 1729 1318 0 # 67 PRO HB3 840 2.042 32.172 4.313 3 U -2.309e+03 0.00e+00 - 0 1730 1729 1733 0 # 67 PRO HB3 841 2.042 32.172 4.023 3 U -8.179e+02 0.00e+00 - 0 1730 1729 1723 0 # 67 PRO HB3 842 2.042 32.172 3.652 3 U -5.122e+02 0.00e+00 - 0 1730 1729 1725 0 # 67 PRO HB3 843 2.042 32.172 1.668 3 U -1.003e+04 0.00e+00 - 0 1730 1729 1731 0 # 67 PRO HB3 844 1.948 27.573 4.602 4 U -6.202e+02 0.00e+00 - 0 0 0 0 0 # 67 PRO HG2 845 1.948 27.573 4.027 3 U -1.701e+03 0.00e+00 - 0 1728 1726 1723 0 # 67 PRO HG2 846 1.948 27.573 3.658 3 U -1.823e+03 0.00e+00 - 0 1728 1726 1725 0 # 67 PRO HG2 847 1.948 27.573 1.667 3 U -1.942e+03 0.00e+00 - 0 1728 1726 1731 0 # 67 PRO HG2 848 1.998 27.573 4.305 3 U -6.129e+02 0.00e+00 - 0 1727 1726 1733 0 # 67 PRO HG3 849 1.998 27.573 4.029 3 U -2.059e+03 0.00e+00 - 0 1727 1726 1723 0 # 67 PRO HG3 850 1.998 27.573 3.658 3 U -1.594e+03 0.00e+00 - 0 1727 1726 1725 0 # 67 PRO HG3 851 1.998 27.573 1.667 3 U -1.397e+03 0.00e+00 - 0 1727 1726 1731 0 # 67 PRO HG3 852 3.654 51.007 4.477 3 U 4.329e+03 0.00e+00 - 0 1725 1724 1707 0 # 67 PRO HD2 853 3.654 51.007 4.039 3 U 1.216e+04 0.00e+00 - 0 1725 1724 1723 0 # 67 PRO HD2 854 3.654 51.007 1.979 3 U 2.162e+03 0.00e+00 - 0 0 0 0 0 # 67 PRO HD2 855 3.654 51.007 0.988 3 U 2.250e+03 0.00e+00 - 0 1725 1724 1713 0 # 67 PRO HD2 856 4.032 51.007 4.480 3 U 6.018e+03 0.00e+00 - 0 1723 1724 1707 0 # 67 PRO HD3 857 4.032 51.007 3.652 3 U 1.178e+04 0.00e+00 - 0 1723 1724 1725 0 # 67 PRO HD3 858 4.032 51.007 1.977 4 U 2.367e+03 0.00e+00 - 0 0 0 0 0 # 67 PRO HD3 859 4.032 51.007 1.614 4 U 5.843e+02 0.00e+00 - 0 0 0 0 0 # 67 PRO HD3 860 4.032 51.007 0.992 3 U 1.000e+03 0.00e+00 - 0 1723 1724 1713 0 # 67 PRO HD3 861 4.647 55.940 8.391 4 U 1.503e+03 0.00e+00 - 0 1736 1738 133 0 # 68 ARG HA 862 4.647 55.940 7.950 3 U 1.104e+03 0.00e+00 - 0 1736 1738 71 0 # 68 ARG HA 863 4.647 55.940 1.888 4 U 2.404e+03 0.00e+00 - 0 0 0 0 0 # 68 ARG HA 864 4.647 55.940 1.649 3 U 1.835e+03 0.00e+00 - 0 1736 1738 1731 0 # 68 ARG HA 865 1.701 31.997 4.621 4 U -5.512e+02 0.00e+00 - 0 1737 1739 1736 0 # 68 ARG HB2 866 1.701 31.997 0.885 3 U -7.537e+02 0.00e+00 - 0 0 0 0 0 # 68 ARG HB2 867 1.701 31.997 0.757 3 U -5.243e+02 0.00e+00 - 0 0 0 0 0 # 68 ARG HB2 868 1.701 31.997 1.907 3 U -5.021e+03 0.00e+00 - 0 0 0 0 0 # 68 ARG HB2 869 1.905 31.997 7.951 3 U -5.413e+02 0.00e+00 - 0 1756 1739 71 0 # 68 ARG HB3 870 1.905 31.997 1.711 3 U -3.205e+03 0.00e+00 - 0 1756 1739 1737 0 # 68 ARG HB3 871 1.905 31.997 0.725 3 U -6.483e+02 0.00e+00 - 0 0 0 0 0 # 68 ARG HB3 872 1.905 31.997 0.905 4 U -6.403e+02 0.00e+00 - 0 0 0 0 0 # 68 ARG HB3 873 1.770 28.444 4.653 3 U -8.721e+02 0.00e+00 - 0 1752 1753 1736 0 # 68 ARG HG2 874 1.770 28.444 3.221 3 U -5.966e+02 0.00e+00 - 0 1752 1753 1757 0 # 68 ARG HG2 875 1.770 28.444 0.878 3 U -1.167e+03 0.00e+00 - 0 1752 1753 1551 0 # 68 ARG HG2 876 1.887 28.444 4.665 3 U -8.269e+02 0.00e+00 - 0 1754 1753 1736 0 # 68 ARG HG3 877 1.887 28.444 3.220 3 U -8.269e+02 0.00e+00 - 0 1754 1753 1757 0 # 68 ARG HG3 878 1.887 28.444 3.103 3 U -6.037e+02 0.00e+00 - 0 1754 1753 1758 0 # 68 ARG HG3 879 1.887 28.444 0.906 3 U -6.172e+02 0.00e+00 - 0 0 0 0 0 # 68 ARG HG3 880 3.106 43.630 4.095 3 U -7.968e+02 0.00e+00 - 0 1615 1613 1346 0 # 68 ARG HD2 881 3.106 43.630 0.746 3 U -2.005e+03 0.00e+00 - 0 1758 1755 1523 0 # 68 ARG HD2 882 3.106 43.630 0.879 4 U -2.414e+03 0.00e+00 - 0 1758 1755 1551 0 # 68 ARG HD2 883 3.106 43.630 1.915 4 U -5.141e+03 0.00e+00 - 0 0 0 0 0 # 68 ARG HD2 884 3.106 43.630 1.756 3 U -1.669e+03 0.00e+00 - 0 1758 1755 1752 0 # 68 ARG HD2 885 3.213 43.630 0.745 3 U -1.920e+03 0.00e+00 - 0 1757 1755 1523 0 # 68 ARG HD3 886 3.213 43.630 0.879 4 U -1.656e+03 0.00e+00 - 0 1757 1755 1551 0 # 68 ARG HD3 887 3.213 43.630 1.751 3 U -1.783e+03 0.00e+00 - 0 0 0 0 0 # 68 ARG HD3 888 3.213 43.630 1.900 4 U -3.301e+03 0.00e+00 - 0 0 0 0 0 # 68 ARG HD3 889 4.942 54.372 8.776 3 U 3.335e+03 0.00e+00 - 0 1372 1716 83 0 # 69 ARG HA 890 4.942 54.372 5.538 3 U 2.066e+03 0.00e+00 - 0 1372 1716 1317 0 # 69 ARG HA 891 4.942 54.372 4.705 4 U 2.680e+03 0.00e+00 - 0 0 0 0 0 # 69 ARG HA 892 4.942 54.372 1.600 4 U 2.587e+03 0.00e+00 - 0 0 0 0 0 # 69 ARG HA 893 1.614 34.030 8.761 3 U -4.067e+02 0.00e+00 - 0 1424 1717 83 0 # 69 ARG HB2 894 1.614 34.030 4.954 3 U -6.664e+02 0.00e+00 - 0 1424 1717 1372 0 # 69 ARG HB2 895 1.614 34.030 3.080 3 U -5.080e+02 0.00e+00 - 0 1424 1717 1722 0 # 69 ARG HB2 896 1.665 34.030 4.966 4 U -5.356e+02 0.00e+00 - 0 1302 1717 1372 0 # 69 ARG HB3 897 1.665 34.030 3.079 3 U -5.406e+02 0.00e+00 - 0 1302 1717 1722 0 # 69 ARG HB3 898 1.581 27.106 4.639 4 U -6.363e+02 0.00e+00 - 0 0 0 0 0 # 69 ARG HG2 899 1.622 27.106 4.938 4 U -8.540e+02 0.00e+00 - 0 1719 1718 1372 0 # 69 ARG HG3 900 3.073 44.329 0.815 4 U -5.108e+02 0.00e+00 - 0 0 0 0 0 # 69 ARG HD 901 3.073 44.329 1.613 4 U -4.522e+03 0.00e+00 - 0 0 0 0 0 # 69 ARG HD 902 4.854 61.311 9.553 3 U 3.943e+03 0.00e+00 - 0 1371 964 5 0 # 70 VAL HA 903 4.854 61.311 0.761 4 U 3.528e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HA 904 1.978 32.741 0.742 4 U -4.402e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HB 905 1.978 32.741 0.851 3 U -3.398e+03 0.00e+00 - 0 1423 965 1588 0 # 70 VAL HB 906 1.978 32.741 1.433 4 U -7.547e+02 0.00e+00 - 0 1423 965 1504 0 # 70 VAL HB 907 1.978 32.741 1.740 4 U -6.292e+02 0.00e+00 - 0 0 0 0 0 # 70 VAL HB 908 1.978 32.741 7.551 3 U -7.145e+02 0.00e+00 - 0 1423 965 179 0 # 70 VAL HB 909 1.978 32.741 8.781 3 U -1.614e+03 0.00e+00 - 0 1423 965 83 0 # 70 VAL HB 910 0.849 21.736 9.550 3 U -1.041e+03 0.00e+00 - 0 1588 1587 5 0 # 70 VAL HG1 911 0.849 21.736 8.782 3 U -3.020e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HG1 912 0.849 21.736 7.550 3 U -5.314e+02 0.00e+00 - 0 1588 1587 179 0 # 70 VAL HG1 913 0.849 21.736 6.492 4 U -5.782e+02 0.00e+00 - 0 1588 1587 1899 0 # 70 VAL HG1 914 0.849 21.736 5.042 3 U -1.153e+03 0.00e+00 - 0 1588 1587 1373 0 # 70 VAL HG1 915 0.849 21.736 4.857 3 U -4.431e+03 0.00e+00 - 0 1588 1587 1371 0 # 70 VAL HG1 916 0.849 21.736 3.740 3 U -5.555e+02 0.00e+00 - 0 1588 1587 1323 0 # 70 VAL HG1 917 0.849 21.736 2.105 3 U -2.073e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HG1 918 0.849 21.736 1.981 3 U -7.476e+03 0.00e+00 - 0 1588 1587 1423 0 # 70 VAL HG1 919 0.849 21.736 1.841 4 U -1.681e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HG1 920 0.849 21.736 1.737 3 U -1.267e+03 0.00e+00 - 0 1588 1587 1456 0 # 70 VAL HG1 921 0.849 21.736 1.428 3 U -1.087e+03 0.00e+00 - 0 1588 1587 1504 0 # 70 VAL HG1 922 0.849 21.736 1.176 4 U -2.212e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HG1 923 0.759 21.540 9.553 3 U -1.996e+03 0.00e+00 - 0 1589 1590 5 0 # 70 VAL HG2 924 0.759 21.540 8.815 3 U -9.937e+02 0.00e+00 - 0 0 0 0 0 # 70 VAL HG2 925 0.759 21.540 6.492 4 U -1.934e+03 0.00e+00 - 0 1589 1590 1899 0 # 70 VAL HG2 926 0.759 21.540 4.850 3 U -2.856e+03 0.00e+00 - 0 1589 1590 1371 0 # 70 VAL HG2 927 0.759 21.540 2.896 3 U -1.257e+03 0.00e+00 - 0 1589 1590 1438 0 # 70 VAL HG2 928 0.759 21.540 3.052 3 U -7.186e+02 0.00e+00 - 0 1589 1590 1465 0 # 70 VAL HG2 929 0.759 21.540 1.981 3 U -4.669e+03 0.00e+00 - 0 1589 1590 1423 0 # 70 VAL HG2 930 0.759 21.540 0.088 4 U -4.601e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HG2 931 5.407 53.280 9.545 4 U 2.230e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HA 932 5.407 53.280 8.841 3 U 4.011e+03 0.00e+00 - 0 1376 853 199 0 # 71 LEU HA 933 5.407 53.280 4.701 4 U 5.139e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HA 934 5.407 53.280 4.347 3 U 1.904e+03 0.00e+00 - 0 1376 853 1314 0 # 71 LEU HA 935 5.407 53.280 1.791 3 U 5.829e+02 0.00e+00 - 0 1376 853 1671 0 # 71 LEU HA 936 5.407 53.280 1.636 3 U 1.158e+03 0.00e+00 - 0 1376 853 1480 0 # 71 LEU HA 937 5.407 53.280 1.429 3 U 1.975e+03 0.00e+00 - 0 1376 853 1453 0 # 71 LEU HA 938 5.407 53.280 0.668 3 U 2.049e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HA 939 5.407 53.280 0.766 4 U 7.648e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HA 940 1.429 44.783 9.542 3 U -5.037e+02 0.00e+00 - 0 1453 854 5 0 # 71 LEU HB2 941 1.429 44.783 5.420 3 U -8.300e+02 0.00e+00 - 0 1453 854 1376 0 # 71 LEU HB2 942 1.429 44.783 0.674 3 U -1.119e+03 0.00e+00 - 0 1453 854 1595 0 # 71 LEU HB2 943 1.429 44.783 0.754 4 U -1.224e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HB2 944 1.429 44.783 1.130 3 U -6.905e+02 0.00e+00 - 0 1453 854 1447 0 # 71 LEU HB2 945 1.429 44.783 1.287 4 U -7.998e+02 0.00e+00 - 0 1453 854 1429 0 # 71 LEU HB2 946 1.634 44.783 9.549 3 U -1.131e+03 0.00e+00 - 0 1480 854 5 0 # 71 LEU HB3 947 1.634 44.783 8.836 4 U -7.788e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HB3 948 1.634 44.783 5.410 3 U -7.135e+02 0.00e+00 - 0 1480 854 1376 0 # 71 LEU HB3 949 1.634 44.783 0.771 3 U -1.835e+03 0.00e+00 - 0 1480 854 1594 0 # 71 LEU HB3 950 1.634 44.783 0.654 3 U -5.711e+02 0.00e+00 - 0 1480 854 1595 0 # 71 LEU HB3 951 1.634 44.783 1.129 3 U -5.711e+02 0.00e+00 - 0 1480 854 1447 0 # 71 LEU HB3 952 1.520 28.457 9.545 4 U -1.197e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HG 953 1.520 28.457 5.418 3 U -1.399e+03 0.00e+00 - 0 1592 1591 1376 0 # 71 LEU HG 954 1.520 28.457 4.340 3 U -8.109e+02 0.00e+00 - 0 1592 1591 1314 0 # 71 LEU HG 955 1.520 28.457 0.664 3 U -1.800e+03 0.00e+00 - 0 1592 1591 1595 0 # 71 LEU HG 956 1.520 28.457 0.769 3 U -2.360e+03 0.00e+00 - 0 1592 1591 1594 0 # 71 LEU HG 957 0.762 26.225 9.545 4 U -1.127e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 958 0.762 26.225 8.809 3 U -5.697e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 959 0.762 26.225 7.238 4 U -8.049e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 960 0.762 26.225 5.411 3 U -8.530e+02 0.00e+00 - 0 1594 1593 1376 0 # 71 LEU HD1 962 0.762 26.225 4.840 3 U -8.410e+02 0.00e+00 - 0 1594 1593 1371 0 # 71 LEU HD1 963 0.762 26.225 4.308 4 U -6.333e+02 0.00e+00 - 0 1594 1593 1314 0 # 71 LEU HD1 964 0.762 26.225 4.378 4 U -6.232e+02 0.00e+00 - 0 1594 1593 1315 0 # 71 LEU HD1 965 0.762 26.225 3.057 4 U -7.055e+02 0.00e+00 - 0 1594 1593 1722 0 # 71 LEU HD1 966 0.762 26.225 3.196 4 U -5.519e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 967 0.762 26.225 1.642 3 U -6.652e+03 0.00e+00 - 0 1594 1593 1480 0 # 71 LEU HD1 968 0.762 26.225 1.531 3 U -8.089e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 969 0.762 26.225 1.099 3 U -2.952e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 970 0.762 26.225 1.172 4 U -1.612e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 971 0.662 24.203 9.545 4 U -1.906e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HD2 972 0.662 24.203 8.857 4 U -1.817e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HD2 973 0.662 24.203 8.445 4 U -5.122e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HD2 974 0.662 24.203 5.410 3 U -3.601e+03 0.00e+00 - 0 1595 1596 1376 0 # 71 LEU HD2 975 0.662 24.203 4.340 3 U -4.862e+03 0.00e+00 - 0 1595 1596 1314 0 # 71 LEU HD2 976 0.662 24.203 2.083 3 U -1.592e+03 0.00e+00 - 0 1595 1596 1670 0 # 71 LEU HD2 977 0.662 24.203 1.910 4 U -1.883e+03 0.00e+00 - 0 1595 1596 1392 0 # 71 LEU HD2 978 0.662 24.203 1.777 4 U -2.514e+03 0.00e+00 - 0 1595 1596 1671 0 # 71 LEU HD2 979 0.662 24.203 1.641 3 U -4.510e+03 0.00e+00 - 0 1595 1596 1480 0 # 71 LEU HD2 980 0.662 24.203 1.524 3 U -4.720e+03 0.00e+00 - 0 1595 1596 1592 0 # 71 LEU HD2 981 0.662 24.203 1.422 3 U -3.897e+03 0.00e+00 - 0 1595 1596 1453 0 # 71 LEU HD2 982 0.662 24.203 1.127 3 U -2.076e+03 0.00e+00 - 0 1595 1596 1447 0 # 71 LEU HD2 983 2.400 35.979 10.036 3 U -1.468e+03 0.00e+00 - 0 1427 1090 35 0 # 72 VAL HB 984 2.400 35.979 4.813 3 U -2.422e+03 0.00e+00 - 0 1427 1090 1375 0 # 72 VAL HB 985 2.400 35.979 0.822 3 U -9.823e+02 0.00e+00 - 0 1427 1090 1608 0 # 72 VAL HB 986 2.400 35.979 0.970 4 U -3.545e+03 0.00e+00 - 0 0 0 0 0 # 72 VAL HB 987 2.400 35.979 0.710 3 U -2.996e+03 0.00e+00 - 0 1427 1090 1600 0 # 72 VAL HB 988 2.400 35.979 2.790 3 U -5.385e+02 0.00e+00 - 0 1427 1090 1440 0 # 72 VAL HB 989 0.972 22.840 10.041 3 U -7.667e+02 0.00e+00 - 0 1598 1597 35 0 # 72 VAL HG1 990 0.972 22.840 9.528 4 U -4.760e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG1 991 0.972 22.840 8.836 4 U -1.707e+03 0.00e+00 - 0 0 0 0 0 # 72 VAL HG1 992 0.972 22.840 5.475 3 U -2.506e+03 0.00e+00 - 0 1598 1597 1335 0 # 72 VAL HG1 993 0.972 22.840 4.818 3 U -4.857e+03 0.00e+00 - 0 1598 1597 1375 0 # 72 VAL HG1 994 0.972 22.840 3.058 3 U -4.033e+03 0.00e+00 - 0 1598 1597 1465 0 # 72 VAL HG1 995 0.972 22.840 2.896 3 U -2.538e+03 0.00e+00 - 0 1598 1597 1438 0 # 72 VAL HG1 996 0.972 22.840 2.783 3 U -1.001e+03 0.00e+00 - 0 1598 1597 1440 0 # 72 VAL HG1 997 0.972 22.840 2.535 4 U -8.972e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG1 998 0.972 22.840 2.405 3 U -5.631e+03 0.00e+00 - 0 1598 1597 1427 0 # 72 VAL HG1 999 0.972 22.840 1.744 4 U -1.005e+03 0.00e+00 - 0 0 0 0 0 # 72 VAL HG1 1000 0.972 22.840 1.657 3 U -6.302e+02 0.00e+00 - 0 1598 1597 1402 0 # 72 VAL HG1 1001 0.972 22.840 1.505 3 U -3.635e+03 0.00e+00 - 0 1598 1597 1411 0 # 72 VAL HG1 1002 0.972 22.840 1.291 3 U -2.167e+03 0.00e+00 - 0 1598 1597 1429 0 # 72 VAL HG1 1003 0.972 22.840 0.089 3 U -3.422e+03 0.00e+00 - 0 1598 1597 1533 0 # 72 VAL HG1 1004 0.972 22.840 0.211 4 U -6.087e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG1 1005 0.704 19.290 10.032 3 U 6.149e+02 0.00e+00 - 0 1600 1599 35 0 # 72 VAL HG2 1006 0.704 19.290 9.463 4 U 5.097e+02 0.00e+00 - 0 1600 1599 95 0 # 72 VAL HG2 1007 0.704 19.290 9.055 3 U 5.708e+02 0.00e+00 - 0 1600 1599 73 0 # 72 VAL HG2 1008 0.704 19.290 8.842 3 U 4.233e+03 0.00e+00 - 0 1600 1599 199 0 # 72 VAL HG2 1009 0.704 19.290 7.379 3 U 1.026e+03 0.00e+00 - 0 1600 1599 43 0 # 72 VAL HG2 1010 0.704 19.290 7.066 4 U 5.438e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG2 1011 0.704 19.290 5.409 3 U 4.983e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG2 1012 0.704 19.290 4.368 3 U 7.487e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG2 1013 0.704 19.290 4.820 3 U 1.352e+03 0.00e+00 - 0 1600 1599 1375 0 # 72 VAL HG2 1014 0.704 19.290 3.877 3 U 5.785e+03 0.00e+00 - 0 1600 1599 1345 0 # 72 VAL HG2 1015 0.704 19.290 2.404 3 U 4.778e+03 0.00e+00 - 0 1600 1599 1427 0 # 72 VAL HG2 1016 0.704 19.290 1.941 3 U 9.677e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG2 1017 0.704 19.290 1.502 3 U 4.892e+03 0.00e+00 - 0 1600 1599 1411 0 # 72 VAL HG2 1018 0.704 19.290 1.285 3 U 2.893e+03 0.00e+00 - 0 1600 1599 1429 0 # 72 VAL HG2 1019 0.704 19.290 1.737 3 U 7.165e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG2 1020 4.278 59.180 10.037 3 U 7.015e+02 0.00e+00 - 0 1374 894 35 0 # 73 HIS HA 1021 4.278 59.180 8.466 3 U 1.553e+03 0.00e+00 - 0 1374 894 13 0 # 73 HIS HA 1022 4.278 59.180 4.605 3 U 1.390e+03 0.00e+00 - 0 1374 894 1360 0 # 73 HIS HA 1023 4.278 59.180 3.084 3 U 8.824e+02 0.00e+00 - 0 1374 894 1426 0 # 73 HIS HA 1024 4.278 59.180 0.574 3 U 1.262e+03 0.00e+00 - 0 1374 894 1668 0 # 73 HIS HA 1025 2.930 31.130 10.041 3 U -6.704e+02 0.00e+00 - 0 1601 895 35 0 # 73 HIS HB2 1026 3.090 31.130 -0.834 4 U -5.406e+02 0.00e+00 - 0 0 0 0 0 # 73 HIS HB3 1027 3.090 31.130 4.292 3 U -7.085e+02 0.00e+00 - 0 1426 895 1374 0 # 73 HIS HB3 1028 3.090 31.130 10.030 3 U -1.194e+03 0.00e+00 - 0 1426 895 35 0 # 73 HIS HB3 1029 3.817 59.548 8.470 3 U 1.776e+03 0.00e+00 - 0 1377 864 13 0 # 74 GLU HA 1030 3.817 59.548 7.397 3 U 5.367e+02 0.00e+00 - 0 1377 864 43 0 # 74 GLU HA 1031 3.817 59.548 2.171 3 U 1.364e+03 0.00e+00 - 0 1377 864 1603 0 # 74 GLU HA 1032 3.817 59.548 2.017 3 U 2.672e+03 0.00e+00 - 0 1377 864 1481 0 # 74 GLU HA 1033 3.817 59.548 1.872 3 U 2.293e+03 0.00e+00 - 0 1377 864 1454 0 # 74 GLU HA 1034 3.817 59.548 1.614 3 U 1.756e+03 0.00e+00 - 0 1377 864 1486 0 # 74 GLU HA 1035 3.817 59.548 1.478 3 U 1.796e+03 0.00e+00 - 0 0 0 0 0 # 74 GLU HA 1036 3.817 59.548 1.320 3 U 1.489e+03 0.00e+00 - 0 1377 864 1441 0 # 74 GLU HA 1037 3.817 59.548 0.855 3 U 8.140e+02 0.00e+00 - 0 1377 864 1607 0 # 74 GLU HA 1038 1.869 29.352 8.467 3 U -1.285e+03 0.00e+00 - 0 1454 865 13 0 # 74 GLU HB2 1039 1.869 29.352 3.821 3 U -2.295e+03 0.00e+00 - 0 1454 865 1377 0 # 74 GLU HB2 1040 1.869 29.352 1.477 4 U -7.537e+02 0.00e+00 - 0 1454 865 1605 0 # 74 GLU HB2 1041 1.869 29.352 1.614 4 U -9.823e+02 0.00e+00 - 0 1454 865 1486 0 # 74 GLU HB2 1042 2.022 29.352 8.455 3 U -9.809e+02 0.00e+00 - 0 1481 865 13 0 # 74 GLU HB3 1043 2.022 29.352 3.821 3 U -2.366e+03 0.00e+00 - 0 1481 865 1377 0 # 74 GLU HB3 1044 2.178 35.167 11.151 3 U -5.605e+02 0.00e+00 - 0 1603 1602 313 0 # 74 GLU HG 1045 2.178 35.167 8.468 3 U -1.652e+03 0.00e+00 - 0 1603 1602 13 0 # 74 GLU HG 1046 2.178 35.167 7.796 4 U -8.460e+02 0.00e+00 - 0 0 0 0 0 # 74 GLU HG 1047 2.178 35.167 3.824 3 U -1.232e+03 0.00e+00 - 0 1603 1602 1377 0 # 74 GLU HG 1048 2.178 35.167 1.872 3 U -3.253e+03 0.00e+00 - 0 1603 1602 1454 0 # 74 GLU HG 1049 4.578 56.834 11.126 3 U 1.209e+03 0.00e+00 - 0 1343 1740 313 0 # 75 ASP HA 1050 4.578 56.834 8.359 4 U 1.290e+03 0.00e+00 - 0 1343 1740 153 0 # 75 ASP HA 1051 4.578 56.834 2.832 3 U 6.002e+03 0.00e+00 - 0 1343 1740 1409 0 # 75 ASP HA 1052 2.822 40.077 11.146 3 U -1.403e+03 0.00e+00 - 0 1409 1741 313 0 # 75 ASP HB 1053 2.822 40.077 8.318 3 U -5.888e+02 0.00e+00 - 0 1409 1741 153 0 # 75 ASP HB 1054 2.822 40.077 7.800 4 U -6.925e+02 0.00e+00 - 0 0 0 0 0 # 75 ASP HB 1055 2.822 40.077 4.585 3 U -3.020e+03 0.00e+00 - 0 1409 1741 1343 0 # 75 ASP HB 1056 5.096 54.166 8.339 3 U 1.157e+03 0.00e+00 - 0 1344 1067 153 0 # 76 ASP HA 1057 5.096 54.166 7.400 3 U 8.512e+02 0.00e+00 - 0 1344 1067 43 0 # 76 ASP HA 1058 5.096 54.166 2.991 3 U 2.616e+03 0.00e+00 - 0 1344 1067 1467 0 # 76 ASP HA 1059 5.096 54.166 2.786 3 U 1.748e+03 0.00e+00 - 0 1344 1067 1440 0 # 76 ASP HA 1060 5.096 54.166 0.822 3 U 6.894e+02 0.00e+00 - 0 0 0 0 0 # 76 ASP HA 1061 5.096 54.166 0.967 3 U 7.859e+02 0.00e+00 - 0 1344 1067 1539 0 # 76 ASP HA 1062 2.992 43.650 8.342 3 U -1.114e+03 0.00e+00 - 0 1467 1068 153 0 # 76 ASP HB3 1063 2.992 43.650 5.088 3 U -1.225e+03 0.00e+00 - 0 1467 1068 1344 0 # 76 ASP HB3 1064 2.992 43.650 2.399 3 U -6.282e+02 0.00e+00 - 0 1467 1068 1427 0 # 76 ASP HB3 1065 2.992 43.650 0.958 4 U -1.854e+03 0.00e+00 - 0 0 0 0 0 # 76 ASP HB3 1066 2.784 43.650 8.319 3 U -9.326e+02 0.00e+00 - 0 1440 1068 153 0 # 76 ASP HB2 1067 2.784 43.650 5.099 3 U -6.023e+02 0.00e+00 - 0 1440 1068 1344 0 # 76 ASP HB2 1068 2.784 43.650 2.413 3 U -5.158e+02 0.00e+00 - 0 1440 1068 1427 0 # 76 ASP HB2 1069 2.784 43.650 0.960 4 U -1.188e+03 0.00e+00 - 0 0 0 0 0 # 76 ASP HB2 1070 3.870 58.845 8.830 4 U 7.356e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU HA 1071 3.870 58.845 1.950 3 U 1.694e+03 0.00e+00 - 0 1345 908 1468 0 # 77 LEU HA 1072 3.870 58.845 1.499 4 U 5.239e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HA 1073 3.870 58.845 1.315 3 U 2.270e+03 0.00e+00 - 0 1345 908 1441 0 # 77 LEU HA 1074 3.870 58.845 0.715 3 U 4.937e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HA 1075 3.870 58.845 0.818 3 U 6.380e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HA 1076 1.320 42.757 9.054 3 U -6.844e+02 0.00e+00 - 0 1441 909 73 0 # 77 LEU HB2 1077 1.320 42.757 7.395 3 U -1.500e+03 0.00e+00 - 0 1441 909 43 0 # 77 LEU HB2 1078 1.320 42.757 3.853 3 U -1.962e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HB2 1079 1.320 42.757 1.475 3 U -2.583e+03 0.00e+00 - 0 1441 909 1605 0 # 77 LEU HB2 1080 1.952 42.757 9.054 3 U -1.234e+03 0.00e+00 - 0 1468 909 73 0 # 77 LEU HB3 1081 1.952 42.757 7.392 3 U -1.996e+03 0.00e+00 - 0 1468 909 43 0 # 77 LEU HB3 1082 1.952 42.757 3.868 3 U -1.343e+03 0.00e+00 - 0 1468 909 1345 0 # 77 LEU HB3 1083 1.952 42.757 1.476 3 U -2.439e+03 0.00e+00 - 0 1468 909 1605 0 # 77 LEU HB3 1084 1.952 42.757 1.324 3 U -6.612e+03 0.00e+00 - 0 1468 909 1441 0 # 77 LEU HB3 1085 1.952 42.757 0.851 4 U -2.417e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HB3 1090 0.872 25.539 9.979 4 U -5.988e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU HD1 1091 0.872 25.539 7.388 3 U -8.209e+02 0.00e+00 - 0 1607 1606 43 0 # 77 LEU HD1 1092 0.872 25.539 3.853 3 U -1.687e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HD1 1093 0.872 25.539 3.174 3 U -8.957e+02 0.00e+00 - 0 1607 1606 1490 0 # 77 LEU HD1 1094 0.872 25.539 2.787 3 U -5.150e+02 0.00e+00 - 0 1607 1606 1440 0 # 77 LEU HD1 1095 0.872 25.539 1.950 3 U -4.345e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HD1 1096 0.872 25.539 1.474 3 U -6.981e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HD1 1097 0.872 25.539 1.337 3 U -5.109e+03 0.00e+00 - 0 1607 1606 1441 0 # 77 LEU HD1 1098 0.807 23.336 8.826 3 U -8.229e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU HD2 1099 0.807 23.336 8.725 3 U -4.760e+02 0.00e+00 - 0 1608 1609 151 0 # 77 LEU HD2 1100 0.807 23.336 7.392 3 U -1.414e+03 0.00e+00 - 0 1608 1609 43 0 # 77 LEU HD2 1101 0.807 23.336 4.393 4 U -2.819e+03 0.00e+00 - 0 1608 1609 1315 0 # 77 LEU HD2 1102 0.807 23.336 3.868 3 U -7.726e+03 0.00e+00 - 0 1608 1609 1345 0 # 77 LEU HD2 1103 0.807 23.336 3.116 3 U -1.011e+03 0.00e+00 - 0 1608 1609 1615 0 # 77 LEU HD2 1104 0.807 23.336 3.249 3 U -1.154e+03 0.00e+00 - 0 1608 1609 1614 0 # 77 LEU HD2 1105 0.807 23.336 1.939 4 U -4.624e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HD2 1106 0.807 23.336 1.805 3 U -2.408e+03 0.00e+00 - 0 1608 1609 1473 0 # 77 LEU HD2 1107 0.807 23.336 1.477 3 U -1.211e+04 0.00e+00 - 0 0 0 0 0 # 77 LEU HD2 1108 4.101 55.407 9.051 3 U 2.182e+03 0.00e+00 - 0 1346 948 73 0 # 78 ALA HA 1109 4.101 55.407 8.742 3 U 5.935e+02 0.00e+00 - 0 1346 948 151 0 # 78 ALA HA 1110 4.101 55.407 8.841 3 U 6.663e+02 0.00e+00 - 0 1346 948 217 0 # 78 ALA HA 1111 4.101 55.407 3.276 4 U 6.382e+02 0.00e+00 - 0 1346 948 1614 0 # 78 ALA HA 1112 4.101 55.407 3.848 4 U 5.772e+02 0.00e+00 - 0 0 0 0 0 # 78 ALA HA 1113 4.101 55.407 1.941 3 U 1.898e+03 0.00e+00 - 0 1346 948 1412 0 # 78 ALA HA 1114 4.101 55.407 1.478 3 U 9.386e+03 0.00e+00 - 0 1346 948 1410 0 # 78 ALA HA 1115 1.476 17.703 9.191 4 U 1.049e+03 0.00e+00 - 0 0 0 0 0 # 78 ALA HB 1116 1.476 17.703 9.054 3 U 1.001e+04 0.00e+00 - 0 1410 949 73 0 # 78 ALA HB 1117 1.476 17.703 8.836 3 U 4.998e+03 0.00e+00 - 0 1410 949 217 0 # 78 ALA HB 1118 1.476 17.703 8.046 4 U 6.085e+02 0.00e+00 - 0 1410 949 47 0 # 78 ALA HB 1119 1.476 17.703 4.102 3 U 1.390e+04 0.00e+00 - 0 1410 949 1346 0 # 78 ALA HB 1120 3.827 46.562 8.837 4 U -2.844e+03 0.00e+00 - 0 0 0 0 0 # 79 GLY HA2 1121 3.827 46.562 2.024 3 U -6.212e+02 0.00e+00 - 0 1382 1101 1413 0 # 79 GLY HA2 1122 3.938 46.562 8.837 4 U -3.579e+03 0.00e+00 - 0 0 0 0 0 # 79 GLY HA3 1123 3.938 46.562 2.023 3 U -1.025e+03 0.00e+00 - 0 1387 1101 1413 0 # 79 GLY HA3 1124 3.988 54.815 8.840 4 U 2.736e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA HA 1125 3.988 54.815 7.964 3 U 8.938e+02 0.00e+00 - 0 1347 879 91 0 # 80 ALA HA 1126 3.988 54.815 1.757 3 U 3.500e+03 0.00e+00 - 0 1347 879 1414 0 # 80 ALA HA 1127 3.988 54.815 0.924 3 U 2.102e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA HA 1128 3.988 54.815 0.603 3 U 1.615e+03 0.00e+00 - 0 1347 879 1532 0 # 80 ALA HA 1129 1.505 19.753 8.844 3 U 6.806e+03 0.00e+00 - 0 1411 880 25 0 # 80 ALA HB 1130 1.505 19.753 8.731 3 U 2.993e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA HB 1131 1.505 19.753 8.335 4 U 6.092e+02 0.00e+00 - 0 1411 880 117 0 # 80 ALA HB 1132 1.505 19.753 3.984 3 U 9.272e+03 0.00e+00 - 0 1411 880 1347 0 # 80 ALA HB 1133 1.505 19.753 0.077 3 U 6.613e+02 0.00e+00 - 0 1411 880 1533 0 # 80 ALA HB 1134 1.505 19.753 0.370 4 U 6.472e+02 0.00e+00 - 0 0 0 0 0 # 80 ALA HB 1135 1.505 19.753 0.605 3 U 5.456e+03 0.00e+00 - 0 1411 880 1532 0 # 80 ALA HB 1136 1.505 19.753 0.743 3 U 1.314e+04 0.00e+00 - 0 0 0 0 0 # 80 ALA HB 1137 1.505 19.753 0.869 4 U 9.363e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA HB 1138 1.505 19.753 0.964 4 U 6.581e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA HB 1139 3.844 60.068 8.738 3 U 1.547e+03 0.00e+00 - 0 1348 1063 151 0 # 81 ARG HA 1140 3.844 60.068 8.075 3 U 7.457e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG HA 1141 3.844 60.068 0.883 4 U 3.455e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HA 1142 3.844 60.068 1.558 3 U 1.638e+03 0.00e+00 - 0 1348 1063 1611 0 # 81 ARG HA 1143 3.844 60.068 1.427 3 U 1.029e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HA 1144 3.844 60.068 1.805 3 U 1.344e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HA 1145 3.844 60.068 1.926 4 U 3.568e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HA 1146 1.924 30.062 8.724 3 U -1.482e+03 0.00e+00 - 0 1412 1064 151 0 # 81 ARG HB 1147 1.924 30.062 8.079 3 U -8.520e+02 0.00e+00 - 0 1412 1064 47 0 # 81 ARG HB 1148 1.924 30.062 4.114 3 U -7.005e+02 0.00e+00 - 0 1412 1064 1346 0 # 81 ARG HB 1149 1.924 30.062 3.845 3 U -1.045e+03 0.00e+00 - 0 1412 1064 1348 0 # 81 ARG HB 1150 1.924 30.062 1.552 3 U -1.389e+03 0.00e+00 - 0 1412 1064 1611 0 # 81 ARG HB 1151 1.924 30.062 0.921 4 U -7.607e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG HB 1152 1.550 29.131 8.751 3 U -5.122e+02 0.00e+00 - 0 1611 1610 151 0 # 81 ARG HG2 1153 1.550 29.131 3.849 3 U -7.868e+02 0.00e+00 - 0 1611 1610 1348 0 # 81 ARG HG2 1154 1.550 29.131 3.253 3 U -5.441e+02 0.00e+00 - 0 1611 1610 1614 0 # 81 ARG HG2 1155 1.550 29.131 3.120 3 U -5.746e+02 0.00e+00 - 0 1611 1610 1615 0 # 81 ARG HG2 1156 1.550 29.131 1.936 4 U -4.573e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HG2 1157 1.550 29.131 0.878 4 U -1.456e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HG2 1158 1.939 29.131 8.754 3 U -7.206e+02 0.00e+00 - 0 1612 1610 151 0 # 81 ARG HG3 1159 1.939 29.131 3.249 3 U -6.059e+02 0.00e+00 - 0 1612 1610 1614 0 # 81 ARG HG3 1160 1.939 29.131 3.846 3 U -8.169e+02 0.00e+00 - 0 1612 1610 1348 0 # 81 ARG HG3 1161 1.939 29.131 1.553 3 U -3.036e+03 0.00e+00 - 0 1612 1610 1611 0 # 81 ARG HG3 1162 1.939 29.131 0.902 3 U -1.048e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HG3 1163 1.924 30.062 3.257 3 U -5.526e+02 0.00e+00 - 0 1412 1064 1614 0 # 81 ARG HB 1164 1.924 30.062 3.107 3 U -6.734e+02 0.00e+00 - 0 1412 1064 1615 0 # 81 ARG HB 1165 3.106 43.646 7.582 4 U -5.335e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG HD2 1166 3.106 43.646 3.823 4 U -7.677e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG HD2 1167 3.106 43.646 1.537 3 U -1.484e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HD2 1168 3.243 43.646 8.724 3 U -5.172e+02 0.00e+00 - 0 1614 1613 151 0 # 81 ARG HD3 1169 3.243 43.646 4.121 4 U -6.393e+02 0.00e+00 - 0 1614 1613 1346 0 # 81 ARG HD3 1170 3.243 43.646 3.717 4 U -8.179e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG HD3 1171 3.243 43.646 1.928 4 U -3.482e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HD3 1172 4.041 59.080 8.086 3 U 2.276e+03 0.00e+00 - 0 1349 912 47 0 # 82 ARG HA 1173 4.041 59.080 8.209 4 U 6.085e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG HA 1174 4.041 59.080 8.319 3 U 6.522e+02 0.00e+00 - 0 1349 912 123 0 # 82 ARG HA 1175 4.041 59.080 7.964 3 U 6.301e+02 0.00e+00 - 0 1349 912 91 0 # 82 ARG HA 1176 4.041 59.080 8.778 3 U 8.867e+02 0.00e+00 - 0 1349 912 23 0 # 82 ARG HA 1177 4.041 59.080 4.445 3 U 2.636e+03 0.00e+00 - 0 1349 912 1415 0 # 82 ARG HA 1178 4.041 59.080 4.285 4 U 1.246e+03 0.00e+00 - 0 0 0 0 0 # 82 ARG HA 1179 4.041 59.080 3.276 3 U 1.231e+03 0.00e+00 - 0 1349 912 1619 0 # 82 ARG HA 1180 4.041 59.080 2.011 3 U 4.602e+03 0.00e+00 - 0 1349 912 1413 0 # 82 ARG HA 1181 4.041 59.080 1.730 3 U 2.732e+03 0.00e+00 - 0 1349 912 1617 0 # 82 ARG HA 1182 4.041 59.080 1.868 4 U 7.326e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG HA 1183 4.041 59.080 1.303 3 U 6.184e+02 0.00e+00 - 0 1349 912 1632 0 # 82 ARG HA 1184 2.013 29.783 8.210 3 U -5.853e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG HB 1185 2.013 29.783 8.083 3 U -3.494e+03 0.00e+00 - 0 1413 913 47 0 # 82 ARG HB 1186 2.013 29.783 7.964 3 U -1.502e+03 0.00e+00 - 0 1413 913 91 0 # 82 ARG HB 1187 2.013 29.783 4.040 3 U -2.246e+03 0.00e+00 - 0 1413 913 1349 0 # 82 ARG HB 1188 2.013 29.783 3.286 3 U -9.795e+02 0.00e+00 - 0 1413 913 1619 0 # 82 ARG HB 1189 1.720 26.896 8.783 4 U -5.108e+02 0.00e+00 - 0 1617 1616 23 0 # 82 ARG HG 1190 1.720 26.896 8.080 3 U -1.170e+03 0.00e+00 - 0 1617 1616 47 0 # 82 ARG HG 1191 1.720 26.896 4.040 3 U -2.542e+03 0.00e+00 - 0 1617 1616 1349 0 # 82 ARG HG 1192 1.720 26.896 3.277 3 U -5.447e+03 0.00e+00 - 0 1617 1616 1619 0 # 82 ARG HG 1193 3.277 43.188 8.042 4 U -6.925e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG HD 1194 3.277 43.188 4.042 3 U -2.431e+03 0.00e+00 - 0 1619 1618 1349 0 # 82 ARG HD 1195 3.277 43.188 2.000 3 U -3.197e+03 0.00e+00 - 0 1619 1618 1413 0 # 82 ARG HD 1196 3.277 43.188 1.725 3 U -9.271e+03 0.00e+00 - 0 1619 1618 1617 0 # 82 ARG HD 1197 4.148 57.509 7.977 3 U 2.491e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HA 1198 4.148 57.509 8.756 3 U 7.788e+02 0.00e+00 - 0 1350 976 23 0 # 83 LEU HA 1199 4.148 57.509 2.852 3 U 1.433e+03 0.00e+00 - 0 1350 976 1470 0 # 83 LEU HA 1200 4.148 57.509 2.731 3 U 6.492e+02 0.00e+00 - 0 1350 976 1443 0 # 83 LEU HA 1201 4.148 57.509 1.532 4 U 1.161e+03 0.00e+00 - 0 1350 976 1621 0 # 83 LEU HA 1202 4.148 57.509 1.300 4 U 5.907e+02 0.00e+00 - 0 0 0 0 0 # 83 LEU HA 1203 4.148 57.509 1.758 3 U 6.444e+03 0.00e+00 - 0 1350 976 1414 0 # 83 LEU HA 1204 4.148 57.509 0.903 3 U 3.801e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HA 1205 4.148 57.509 0.818 3 U 2.049e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HA 1206 1.757 42.522 7.991 3 U -5.318e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HB 1207 1.757 42.522 3.985 3 U -2.828e+03 0.00e+00 - 0 1414 977 1347 0 # 83 LEU HB 1208 1.757 42.522 4.149 3 U -4.050e+03 0.00e+00 - 0 1414 977 1350 0 # 83 LEU HB 1209 1.757 42.522 0.852 4 U -5.093e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HB 1210 1.558 26.680 7.967 3 U -1.267e+03 0.00e+00 - 0 1621 1620 91 0 # 83 LEU HG 1211 1.558 26.680 0.878 4 U -3.462e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HG 1212 0.907 24.867 7.977 3 U -9.965e+02 0.00e+00 - 0 1622 1623 91 0 # 83 LEU HD1 1213 0.907 24.867 4.149 3 U -5.816e+03 0.00e+00 - 0 1622 1623 1350 0 # 83 LEU HD1 1214 0.907 24.867 3.989 3 U -2.546e+03 0.00e+00 - 0 1622 1623 1347 0 # 83 LEU HD1 1215 0.907 24.867 3.872 4 U -1.480e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HD1 1216 0.907 24.867 1.759 4 U -7.021e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HD1 1217 0.907 24.867 1.587 4 U -5.889e+03 0.00e+00 - 0 1622 1623 1621 0 # 83 LEU HD1 1218 0.907 24.867 1.463 3 U -8.646e+03 0.00e+00 - 0 1622 1623 1401 0 # 83 LEU HD1 1219 0.826 25.987 7.992 4 U -6.059e+02 0.00e+00 - 0 0 0 0 0 # 83 LEU HD2 1220 0.826 25.987 4.132 3 U -1.526e+03 0.00e+00 - 0 1624 1625 1350 0 # 83 LEU HD2 1221 0.826 25.987 3.994 3 U -7.948e+02 0.00e+00 - 0 1624 1625 1347 0 # 83 LEU HD2 1222 0.826 25.987 3.867 3 U -1.758e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HD2 1223 0.826 25.987 1.914 3 U -1.347e+03 0.00e+00 - 0 1624 1625 1461 0 # 83 LEU HD2 1224 0.826 25.987 1.754 3 U -6.379e+03 0.00e+00 - 0 1624 1625 1414 0 # 83 LEU HD2 1225 0.826 25.987 1.450 3 U -6.154e+03 0.00e+00 - 0 1624 1625 1401 0 # 83 LEU HD2 1226 0.826 25.987 1.316 3 U -2.514e+03 0.00e+00 - 0 1624 1625 1434 0 # 83 LEU HD2 1227 0.826 25.987 0.584 3 U -4.925e+03 0.00e+00 - 0 1624 1625 1532 0 # 83 LEU HD2 1228 0.907 24.867 0.578 4 U -3.177e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HD1 1229 3.886 58.633 8.030 3 U 2.182e+03 0.00e+00 - 0 1351 1051 145 0 # 84 LEU HA 1230 3.886 58.633 7.438 3 U 1.043e+03 0.00e+00 - 0 1351 1051 109 0 # 84 LEU HA 1231 3.886 58.633 1.793 4 U 3.545e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HA 1232 1.434 40.763 8.022 3 U -1.103e+03 0.00e+00 - 0 1442 1052 145 0 # 84 LEU HB2 1233 1.434 40.763 8.295 3 U -4.753e+02 0.00e+00 - 0 1442 1052 123 0 # 84 LEU HB2 1234 1.434 40.763 3.880 3 U -2.147e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HB2 1235 1.434 40.763 1.778 3 U -8.873e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HB2 1236 1.434 40.763 0.863 3 U -1.369e+03 0.00e+00 - 0 1442 1052 1629 0 # 84 LEU HB2 1237 1.434 40.763 0.774 4 U -1.401e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HB2 1238 3.886 58.633 8.317 3 U 4.805e+02 0.00e+00 - 0 1351 1051 123 0 # 84 LEU HA 1239 1.767 40.763 8.319 3 U -4.618e+02 0.00e+00 - 0 1469 1052 123 0 # 84 LEU HB3 1240 1.767 40.763 8.039 3 U -1.492e+03 0.00e+00 - 0 1469 1052 145 0 # 84 LEU HB3 1241 1.767 40.763 3.884 3 U -1.456e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HB3 1242 1.767 40.763 1.440 3 U -6.628e+03 0.00e+00 - 0 1469 1052 1442 0 # 84 LEU HB3 1243 1.767 40.763 1.531 4 U -1.212e+03 0.00e+00 - 0 1469 1052 1743 0 # 84 LEU HB3 1244 1.767 40.763 0.863 3 U -1.630e+03 0.00e+00 - 0 1469 1052 1629 0 # 84 LEU HB3 1245 1.767 40.763 0.765 4 U -1.015e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HB3 1246 1.821 30.240 8.036 3 U -1.942e+03 0.00e+00 - 0 1627 1626 145 0 # 84 LEU HG 1247 1.821 30.240 3.876 3 U -2.554e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HG 1248 1.821 30.240 1.449 3 U -2.562e+03 0.00e+00 - 0 1627 1626 1442 0 # 84 LEU HG 1249 1.821 30.240 0.770 3 U -4.294e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HG 1250 1.821 30.240 0.856 3 U -3.783e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HG 1251 0.859 24.919 8.314 4 U -5.612e+02 0.00e+00 - 0 0 0 0 0 # 84 LEU HD1 1252 0.859 24.919 8.024 3 U -2.984e+03 0.00e+00 - 0 1629 1628 145 0 # 84 LEU HD1 1253 0.859 24.919 3.877 4 U -3.486e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD1 1254 0.859 24.919 3.406 3 U -1.019e+03 0.00e+00 - 0 1629 1628 1326 0 # 84 LEU HD1 1255 0.859 24.919 1.783 3 U -8.487e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD1 1256 0.859 24.919 1.544 3 U -7.521e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD1 1257 0.859 24.919 1.426 4 U -7.930e+03 0.00e+00 - 0 1629 1628 1442 0 # 84 LEU HD1 1258 0.859 24.919 0.086 3 U -1.693e+03 0.00e+00 - 0 1629 1628 1533 0 # 84 LEU HD1 1259 0.782 25.363 8.029 3 U -1.257e+03 0.00e+00 - 0 1631 1630 145 0 # 84 LEU HD2 1260 0.782 25.363 3.877 3 U -4.629e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD2 1261 0.782 25.363 2.120 3 U -1.103e+03 0.00e+00 - 0 1631 1630 1399 0 # 84 LEU HD2 1262 0.782 25.363 1.802 3 U -9.748e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD2 1263 0.782 25.363 1.692 4 U -3.117e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD2 1264 0.782 25.363 1.451 3 U -9.373e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD2 1265 3.916 67.110 8.673 3 U 9.876e+02 0.00e+00 - 0 1352 1026 55 0 # 85 THR HA 1266 3.916 67.110 8.309 3 U 5.921e+02 0.00e+00 - 0 1352 1026 123 0 # 85 THR HA 1267 3.916 67.110 5.418 4 U 8.321e+02 0.00e+00 - 0 0 0 0 0 # 85 THR HA 1268 3.916 67.110 1.556 3 U 2.861e+03 0.00e+00 - 0 1352 1026 1743 0 # 85 THR HA 1269 3.916 67.110 1.419 4 U 7.979e+02 0.00e+00 - 0 1352 1026 1442 0 # 85 THR HA 1270 3.916 67.110 1.309 3 U 2.652e+03 0.00e+00 - 0 1352 1026 1632 0 # 85 THR HA 1271 4.437 67.983 8.769 3 U 1.046e+03 0.00e+00 - 0 1415 1027 23 0 # 85 THR HB 1272 4.437 67.983 8.311 3 U 1.499e+03 0.00e+00 - 0 1415 1027 123 0 # 85 THR HB 1273 4.437 67.983 1.309 3 U 3.009e+03 0.00e+00 - 0 1415 1027 1632 0 # 85 THR HB 1274 1.303 21.049 8.778 3 U 1.398e+03 0.00e+00 - 0 1632 1633 23 0 # 85 THR HG2 1275 1.303 21.049 8.304 3 U 1.175e+03 0.00e+00 - 0 1632 1633 123 0 # 85 THR HG2 1276 1.303 21.049 4.442 3 U 8.090e+03 0.00e+00 - 0 1632 1633 1415 0 # 85 THR HG2 1277 1.303 21.049 4.062 4 U 1.654e+03 0.00e+00 - 0 1632 1633 1349 0 # 85 THR HG2 1278 1.303 21.049 3.924 4 U 6.918e+03 0.00e+00 - 0 0 0 0 0 # 85 THR HG2 1279 4.466 56.995 9.115 4 U 9.577e+02 0.00e+00 - 0 0 0 0 0 # 86 ASP HA 1280 4.466 56.995 8.770 3 U 2.102e+03 0.00e+00 - 0 1353 876 23 0 # 86 ASP HA 1281 4.466 56.995 7.419 3 U 1.053e+03 0.00e+00 - 0 1353 876 109 0 # 86 ASP HA 1282 4.466 56.995 2.731 3 U 4.165e+03 0.00e+00 - 0 1353 876 1443 0 # 86 ASP HA 1283 4.466 56.995 2.853 3 U 3.278e+03 0.00e+00 - 0 1353 876 1470 0 # 86 ASP HA 1284 4.466 56.995 1.339 4 U 8.552e+02 0.00e+00 - 0 1353 876 1632 0 # 86 ASP HA 1285 4.466 56.995 0.434 4 U 1.080e+03 0.00e+00 - 0 0 0 0 0 # 86 ASP HA 1286 2.724 39.839 8.766 3 U -1.991e+03 0.00e+00 - 0 1443 877 23 0 # 86 ASP HB2 1287 2.724 39.839 7.424 3 U -8.731e+02 0.00e+00 - 0 1443 877 109 0 # 86 ASP HB2 1288 2.724 39.839 4.465 3 U -2.494e+03 0.00e+00 - 0 1443 877 1353 0 # 86 ASP HB2 1289 2.724 39.839 4.151 3 U -6.915e+02 0.00e+00 - 0 1443 877 1350 0 # 86 ASP HB2 1290 2.852 39.839 8.774 3 U -1.823e+03 0.00e+00 - 0 1470 877 23 0 # 86 ASP HB3 1291 2.852 39.839 7.428 3 U -9.085e+02 0.00e+00 - 0 1470 877 109 0 # 86 ASP HB3 1292 2.852 39.839 4.464 3 U -1.854e+03 0.00e+00 - 0 1470 877 1353 0 # 86 ASP HB3 1293 2.852 39.839 4.149 3 U -1.085e+03 0.00e+00 - 0 1470 877 1350 0 # 86 ASP HB3 1294 2.852 39.839 3.112 4 U -1.632e+03 0.00e+00 - 0 0 0 0 0 # 86 ASP HB3 1295 4.460 51.799 7.801 3 U 1.523e+03 0.00e+00 - 0 1354 1000 225 0 # 87 ALA HA 1296 4.460 51.799 7.430 3 U 1.784e+03 0.00e+00 - 0 1354 1000 109 0 # 87 ALA HA 1297 4.460 51.799 1.510 3 U 9.329e+03 0.00e+00 - 0 1354 1000 1416 0 # 87 ALA HA 1298 1.511 19.944 8.067 4 U 1.656e+03 0.00e+00 - 0 0 0 0 0 # 87 ALA HB 1299 1.511 19.944 7.953 3 U 6.211e+02 0.00e+00 - 0 1411 880 91 0 # 87 ALA HB 1300 1.511 19.944 7.805 3 U 1.161e+03 0.00e+00 - 0 1416 1001 225 0 # 87 ALA HB 1301 1.511 19.944 7.424 3 U 7.715e+03 0.00e+00 - 0 1416 1001 109 0 # 87 ALA HB 1302 1.511 19.944 4.463 3 U 1.181e+04 0.00e+00 - 0 1416 1001 1354 0 # 87 ALA HB 1303 1.511 19.944 3.883 3 U 8.056e+03 0.00e+00 - 0 0 0 0 0 # 87 ALA HB 1304 1.511 19.944 0.763 3 U 1.513e+04 0.00e+00 - 0 0 0 0 0 # 87 ALA HB 1305 1.511 19.944 0.845 3 U 1.151e+04 0.00e+00 - 0 0 0 0 0 # 87 ALA HB 1306 4.106 46.111 7.817 3 U -2.343e+03 0.00e+00 - 0 1383 1110 225 0 # 88 GLY HA2 1307 4.106 46.111 8.053 3 U -6.030e+02 0.00e+00 - 0 1383 1110 129 0 # 88 GLY HA2 1308 4.106 46.111 4.296 3 U -1.046e+04 0.00e+00 - 0 1383 1110 1388 0 # 88 GLY HA2 1309 4.292 46.111 9.365 4 U -6.302e+02 0.00e+00 - 0 0 0 0 0 # 88 GLY HA3 1310 4.292 46.111 7.808 3 U -2.258e+03 0.00e+00 - 0 1388 1110 225 0 # 88 GLY HA3 1311 4.292 46.111 4.104 3 U -1.094e+04 0.00e+00 - 0 1388 1110 1383 0 # 88 GLY HA3 1312 4.648 53.482 8.672 3 U 1.726e+03 0.00e+00 - 0 1355 1036 55 0 # 89 LEU HA 1313 4.648 53.482 8.072 3 U 3.307e+03 0.00e+00 - 0 1355 1036 129 0 # 89 LEU HA 1314 4.648 53.482 1.532 3 U 3.222e+03 0.00e+00 - 0 1355 1036 1471 0 # 89 LEU HA 1315 4.648 53.482 1.426 4 U 2.616e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU HA 1316 4.648 53.482 0.954 3 U 1.684e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU HA 1317 4.648 53.482 0.792 3 U 4.750e+03 0.00e+00 - 0 1355 1036 1638 0 # 89 LEU HA 1318 1.444 42.303 7.936 4 U -4.363e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HB2 1319 1.444 42.303 8.070 3 U -7.115e+02 0.00e+00 - 0 1444 1037 129 0 # 89 LEU HB2 1320 1.444 42.303 5.076 4 U -4.448e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HB2 1321 1.444 42.303 4.643 3 U -8.815e+02 0.00e+00 - 0 1444 1037 1355 0 # 89 LEU HB2 1322 1.444 42.303 0.714 3 U -1.488e+03 0.00e+00 - 0 1444 1037 1637 0 # 89 LEU HB2 1323 1.444 42.303 0.797 4 U -1.018e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU HB2 1324 1.540 42.303 8.062 4 U -6.925e+02 0.00e+00 - 0 1471 1037 129 0 # 89 LEU HB3 1325 1.540 42.303 4.640 3 U -5.867e+02 0.00e+00 - 0 1471 1037 1355 0 # 89 LEU HB3 1326 1.540 42.303 0.742 4 U -1.590e+03 0.00e+00 - 0 1471 1037 1637 0 # 89 LEU HB3 1327 1.540 42.303 0.821 4 U -1.405e+03 0.00e+00 - 0 1471 1037 1638 0 # 89 LEU HB3 1328 1.420 26.226 8.074 3 U -8.671e+02 0.00e+00 - 0 1635 1634 129 0 # 89 LEU HG 1329 1.420 26.226 8.809 3 U -4.625e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HG 1330 1.420 26.226 4.649 3 U -6.593e+02 0.00e+00 - 0 1635 1634 1355 0 # 89 LEU HG 1331 1.420 26.226 0.767 3 U -3.016e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU HG 1332 0.719 25.788 4.244 4 U -6.353e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HD1 1333 0.719 25.788 3.387 3 U -4.980e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HD1 1334 0.719 25.788 1.965 3 U -2.002e+03 0.00e+00 - 0 1673 1672 1423 0 # 89 LEU HD1 1335 0.719 25.788 1.452 4 U -2.053e+04 0.00e+00 - 0 0 0 0 0 # 89 LEU HD1 1336 0.719 25.788 1.559 4 U -8.782e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU HD1 1337 0.795 22.944 8.078 3 U -2.394e+03 0.00e+00 - 0 1638 1639 129 0 # 89 LEU HD2 1338 0.795 22.944 7.700 4 U -7.015e+02 0.00e+00 - 0 1638 1639 139 0 # 89 LEU HD2 1339 0.795 22.944 6.383 4 U -4.888e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HD2 1340 0.795 22.944 4.641 3 U -8.566e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU HD2 1341 0.795 22.944 4.297 3 U -5.441e+02 0.00e+00 - 0 1638 1639 1388 0 # 89 LEU HD2 1342 0.795 22.944 2.102 3 U -1.592e+03 0.00e+00 - 0 1638 1639 1646 0 # 89 LEU HD2 1343 0.795 22.944 1.424 3 U -1.041e+04 0.00e+00 - 0 0 0 0 0 # 89 LEU HD2 1344 0.795 22.944 1.551 3 U -7.487e+03 0.00e+00 - 0 1638 1639 1471 0 # 89 LEU HD2 1345 3.929 54.636 8.663 3 U 1.505e+03 0.00e+00 - 0 1742 927 55 0 # 90 ALA HA 1346 3.929 54.636 1.790 3 U 2.612e+03 0.00e+00 - 0 0 0 0 0 # 90 ALA HA 1347 3.929 54.636 1.670 4 U 1.278e+03 0.00e+00 - 0 0 0 0 0 # 90 ALA HA 1348 3.929 54.636 1.560 3 U 6.773e+03 0.00e+00 - 0 1742 927 1743 0 # 90 ALA HA 1349 3.929 54.636 0.941 3 U 3.134e+03 0.00e+00 - 0 0 0 0 0 # 90 ALA HA 1350 1.553 19.698 8.665 3 U 7.272e+03 0.00e+00 - 0 1743 928 55 0 # 90 ALA HB 1351 1.553 19.698 8.519 4 U 6.432e+02 0.00e+00 - 0 0 0 0 0 # 90 ALA HB 1352 1.553 19.698 8.072 4 U 9.932e+02 0.00e+00 - 0 0 0 0 0 # 90 ALA HB 1353 1.553 19.698 4.474 3 U 1.541e+03 0.00e+00 - 0 1743 928 1369 0 # 90 ALA HB 1354 1.553 19.698 3.929 4 U 1.520e+04 0.00e+00 - 0 0 0 0 0 # 90 ALA HB 1355 1.553 19.698 1.307 3 U 7.988e+03 0.00e+00 - 0 1743 928 1632 0 # 90 ALA HB 1356 1.553 19.698 0.936 3 U 2.837e+03 0.00e+00 - 0 0 0 0 0 # 90 ALA HB 1357 4.474 57.685 7.644 4 U 1.159e+03 0.00e+00 - 0 1369 1744 139 0 # 91 HIS HA 1358 4.474 57.685 3.223 3 U 4.148e+03 0.00e+00 - 0 1369 1744 1479 0 # 91 HIS HA 1359 4.474 57.685 3.089 3 U 4.818e+03 0.00e+00 - 0 1369 1744 1452 0 # 91 HIS HA 1360 3.094 29.567 4.476 3 U -2.799e+03 0.00e+00 - 0 1452 1745 1369 0 # 91 HIS HB2 1361 3.221 29.567 7.060 4 U -5.959e+02 0.00e+00 - 0 1479 1745 1901 0 # 91 HIS HB3 1362 3.221 29.567 4.475 3 U -2.840e+03 0.00e+00 - 0 1479 1745 1369 0 # 91 HIS HB3 1363 4.580 55.281 7.684 3 U 6.572e+02 0.00e+00 - 0 1368 1040 139 0 # 92 GLU HA 1364 4.580 55.281 7.337 3 U 1.531e+03 0.00e+00 - 0 1368 1040 147 0 # 92 GLU HA 1365 4.580 55.281 2.213 3 U 4.227e+03 0.00e+00 - 0 0 0 0 0 # 92 GLU HA 1366 4.580 55.281 2.093 3 U 2.772e+03 0.00e+00 - 0 0 0 0 0 # 92 GLU HA 1367 1.620 29.346 7.664 3 U -1.130e+03 0.00e+00 - 0 1451 1041 139 0 # 92 GLU HB2 1368 1.620 29.346 7.500 4 U -5.179e+02 0.00e+00 - 0 0 0 0 0 # 92 GLU HB2 1369 1.620 29.346 7.365 4 U -4.718e+02 0.00e+00 - 0 1451 1041 147 0 # 92 GLU HB2 1370 1.620 29.346 4.585 3 U -1.130e+03 0.00e+00 - 0 1451 1041 1368 0 # 92 GLU HB2 1371 1.620 29.346 2.214 3 U -7.521e+03 0.00e+00 - 0 1451 1041 1478 0 # 92 GLU HB2 1372 1.620 29.346 2.103 3 U -1.815e+03 0.00e+00 - 0 1451 1041 1646 0 # 92 GLU HB2 1373 1.620 29.346 0.717 4 U -4.491e+02 0.00e+00 - 0 0 0 0 0 # 92 GLU HB2 1374 2.208 29.346 7.664 3 U -5.725e+02 0.00e+00 - 0 1478 1041 139 0 # 92 GLU HB3 1375 2.208 29.346 4.583 3 U -1.928e+03 0.00e+00 - 0 1478 1041 1368 0 # 92 GLU HB3 1376 2.208 29.346 1.621 3 U -8.362e+03 0.00e+00 - 0 0 0 0 0 # 92 GLU HB3 1377 2.208 29.346 0.953 4 U -9.568e+02 0.00e+00 - 0 1478 1041 1686 0 # 92 GLU HB3 1378 2.208 29.346 0.730 4 U -9.341e+02 0.00e+00 - 0 0 0 0 0 # 92 GLU HB3 1379 1.656 34.382 7.670 3 U -7.366e+02 0.00e+00 - 0 1648 1647 139 0 # 92 GLU HG2 1380 1.656 34.382 2.089 3 U -9.350e+03 0.00e+00 - 0 1648 1647 1646 0 # 92 GLU HG2 1381 1.656 34.382 2.188 4 U -2.286e+03 0.00e+00 - 0 1648 1647 1478 0 # 92 GLU HG2 1382 1.656 34.382 0.959 4 U -6.543e+02 0.00e+00 - 0 1648 1647 1686 0 # 92 GLU HG2 1383 1.656 34.382 0.791 3 U -4.959e+02 0.00e+00 - 0 1648 1647 1638 0 # 92 GLU HG2 1384 2.090 34.382 7.639 4 U -7.155e+02 0.00e+00 - 0 1646 1647 139 0 # 92 GLU HG3 1385 2.090 34.382 4.603 4 U -5.548e+02 0.00e+00 - 0 1646 1647 1368 0 # 92 GLU HG3 1386 2.090 34.382 3.237 3 U -5.136e+02 0.00e+00 - 0 1646 1647 1479 0 # 92 GLU HG3 1387 2.090 34.382 1.657 3 U -1.167e+04 0.00e+00 - 0 0 0 0 0 # 92 GLU HG3 1388 2.090 34.382 0.963 4 U -1.474e+03 0.00e+00 - 0 0 0 0 0 # 92 GLU HG3 1389 2.090 34.382 0.793 3 U -8.019e+02 0.00e+00 - 0 1646 1647 1638 0 # 92 GLU HG3 1390 4.297 54.600 8.018 3 U 3.648e+03 0.00e+00 - 0 1367 1055 57 0 # 93 LEU HA 1391 4.297 54.600 7.350 3 U 1.493e+03 0.00e+00 - 0 1367 1055 147 0 # 93 LEU HA 1392 4.297 54.600 3.238 3 U 5.644e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU HA 1393 4.297 54.600 1.842 3 U 2.475e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HA 1394 4.297 54.600 1.650 4 U 1.459e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HA 1395 4.297 54.600 0.879 3 U 4.619e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HA 1396 4.297 54.600 0.729 4 U 6.472e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU HA 1397 4.297 54.600 2.389 4 U 5.530e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU HA 1398 1.571 41.952 7.993 3 U -5.945e+02 0.00e+00 - 0 1450 1056 57 0 # 93 LEU HB2 1399 1.571 41.952 7.338 3 U -9.639e+02 0.00e+00 - 0 1450 1056 147 0 # 93 LEU HB2 1400 1.571 41.952 4.286 3 U -1.610e+03 0.00e+00 - 0 1450 1056 1367 0 # 93 LEU HB2 1401 1.571 41.952 0.905 4 U -3.056e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HB2 1402 1.571 41.952 1.908 3 U -7.862e+03 0.00e+00 - 0 1450 1056 1477 0 # 93 LEU HB2 1403 1.903 41.952 7.338 3 U -1.564e+03 0.00e+00 - 0 1477 1056 147 0 # 93 LEU HB3 1404 1.903 41.952 4.291 3 U -9.085e+02 0.00e+00 - 0 1477 1056 1367 0 # 93 LEU HB3 1405 1.903 41.952 1.567 3 U -9.214e+03 0.00e+00 - 0 1477 1056 1450 0 # 93 LEU HB3 1406 1.903 41.952 0.931 3 U -2.121e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HB3 1407 1.803 26.433 7.337 3 U -1.727e+03 0.00e+00 - 0 1641 1640 147 0 # 93 LEU HG 1408 1.803 26.433 3.930 3 U -1.492e+03 0.00e+00 - 0 1641 1640 1742 0 # 93 LEU HG 1409 1.803 26.433 0.879 3 U -2.178e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HG 1410 0.877 24.185 9.571 4 U -5.803e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU HD1 1411 0.877 24.185 8.020 3 U -1.638e+03 0.00e+00 - 0 1643 1642 57 0 # 93 LEU HD1 1412 0.877 24.185 7.333 3 U -8.844e+02 0.00e+00 - 0 1643 1642 147 0 # 93 LEU HD1 1413 0.877 24.185 4.300 3 U -6.893e+03 0.00e+00 - 0 1643 1642 1367 0 # 93 LEU HD1 1414 0.877 24.185 3.848 3 U -3.942e+03 0.00e+00 - 0 1643 1642 1348 0 # 93 LEU HD1 1415 0.877 24.185 1.914 4 U -5.607e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HD1 1416 0.877 24.185 1.795 3 U -1.086e+04 0.00e+00 - 0 1643 1642 1641 0 # 93 LEU HD1 1417 0.877 24.185 1.557 4 U -1.030e+04 0.00e+00 - 0 0 0 0 0 # 93 LEU HD1 1418 0.946 25.787 8.678 3 U -5.299e+02 0.00e+00 - 0 1645 1644 55 0 # 93 LEU HD2 1419 0.946 25.787 7.342 3 U -9.142e+02 0.00e+00 - 0 1645 1644 147 0 # 93 LEU HD2 1420 0.946 25.787 4.305 3 U -6.684e+02 0.00e+00 - 0 1645 1644 1367 0 # 93 LEU HD2 1421 0.946 25.787 3.925 4 U -3.241e+03 0.00e+00 - 0 1645 1644 1742 0 # 93 LEU HD2 1422 0.946 25.787 1.915 3 U -5.495e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HD2 1423 0.946 25.787 1.805 3 U -3.897e+03 0.00e+00 - 0 1645 1644 1641 0 # 93 LEU HD2 1424 0.946 25.787 1.560 4 U -6.483e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HD2 1425 4.388 55.521 8.673 3 U 1.688e+03 0.00e+00 - 0 1366 1266 101 0 # 94 ARG HA 1426 4.388 55.521 8.019 3 U 2.381e+03 0.00e+00 - 0 1366 1266 57 0 # 94 ARG HA 1427 4.388 55.521 3.243 4 U 1.807e+03 0.00e+00 - 0 0 0 0 0 # 94 ARG HA 1428 4.388 55.521 1.830 3 U 3.134e+03 0.00e+00 - 0 1366 1266 1476 0 # 94 ARG HA 1429 1.716 30.652 8.012 3 U -1.476e+03 0.00e+00 - 0 1449 1267 57 0 # 94 ARG HB2 1430 1.716 30.652 4.694 3 U -5.619e+02 0.00e+00 - 0 1449 1267 1316 0 # 94 ARG HB2 1431 1.716 30.652 4.394 3 U -1.369e+03 0.00e+00 - 0 1449 1267 1366 0 # 94 ARG HB2 1432 1.716 30.652 3.257 4 U -5.349e+02 0.00e+00 - 0 1449 1267 1652 0 # 94 ARG HB2 1433 1.716 30.652 3.112 3 U -5.803e+02 0.00e+00 - 0 1449 1267 1746 0 # 94 ARG HB2 1434 1.716 30.652 2.988 4 U -6.282e+02 0.00e+00 - 0 0 0 0 0 # 94 ARG HB2 1435 1.832 30.652 8.015 3 U -1.826e+03 0.00e+00 - 0 1476 1267 57 0 # 94 ARG HB3 1436 1.832 30.652 4.381 3 U -1.558e+03 0.00e+00 - 0 1476 1267 1366 0 # 94 ARG HB3 1437 1.832 30.652 4.678 3 U -5.037e+02 0.00e+00 - 0 1476 1267 1316 0 # 94 ARG HB3 1438 1.832 30.652 3.247 3 U -4.462e+02 0.00e+00 - 0 1476 1267 1652 0 # 94 ARG HB3 1439 1.630 26.901 4.394 4 U -2.482e+03 0.00e+00 - 0 0 0 0 0 # 94 ARG HG 1440 1.630 26.901 3.245 3 U -1.257e+03 0.00e+00 - 0 1650 1649 1652 0 # 94 ARG HG 1441 1.630 26.901 3.114 3 U -2.643e+03 0.00e+00 - 0 0 0 0 0 # 94 ARG HG 1442 3.123 43.145 8.005 3 U -5.236e+02 0.00e+00 - 0 1746 1651 57 0 # 94 ARG HD2 1443 3.123 43.145 8.859 4 U -4.406e+02 0.00e+00 - 0 0 0 0 0 # 94 ARG HD2 1444 3.123 43.145 4.394 3 U -1.089e+03 0.00e+00 - 0 1746 1651 1366 0 # 94 ARG HD2 1445 3.123 43.145 1.658 4 U -3.265e+03 0.00e+00 - 0 0 0 0 0 # 94 ARG HD2 1446 3.123 43.145 1.820 3 U -1.498e+03 0.00e+00 - 0 1746 1651 1476 0 # 94 ARG HD2 1447 3.237 43.145 4.396 3 U -1.048e+03 0.00e+00 - 0 1652 1651 1366 0 # 94 ARG HD3 1448 3.237 43.145 1.670 4 U -3.141e+03 0.00e+00 - 0 0 0 0 0 # 94 ARG HD3 1449 3.237 43.145 1.840 3 U -1.365e+03 0.00e+00 - 0 1652 1651 1476 0 # 94 ARG HD3 1450 4.563 57.715 8.650 4 U 7.939e+02 0.00e+00 - 0 1356 1747 101 0 # 95 SER HA 1451 4.563 57.715 8.487 3 U 2.182e+03 0.00e+00 - 0 1356 1747 41 0 # 95 SER HA 1452 4.563 57.715 5.184 4 U 1.557e+03 0.00e+00 - 0 0 0 0 0 # 95 SER HA 1453 4.563 57.715 3.903 3 U 7.090e+03 0.00e+00 - 0 1356 1747 1417 0 # 95 SER HA 1454 3.901 63.533 8.508 3 U 5.480e+02 0.00e+00 - 0 1417 1748 41 0 # 95 SER HB 1455 3.901 63.533 8.374 3 U 5.161e+02 0.00e+00 - 0 1403 1705 155 0 # 95 SER HB 1456 4.698 54.154 8.519 4 U 1.642e+03 0.00e+00 - 0 0 0 0 0 # 96 ASP HA 1457 4.698 54.154 7.992 3 U 5.801e+03 0.00e+00 - 0 1357 904 19 0 # 96 ASP HA 1458 2.569 41.412 8.496 3 U -8.943e+02 0.00e+00 - 0 1445 905 41 0 # 96 ASP HB2 1459 2.569 41.412 8.013 4 U -5.846e+02 0.00e+00 - 0 1445 905 19 0 # 96 ASP HB2 1460 2.569 41.412 4.695 3 U -1.677e+03 0.00e+00 - 0 1445 905 1357 0 # 96 ASP HB2 1461 2.569 41.412 3.876 4 U -5.456e+02 0.00e+00 - 0 0 0 0 0 # 96 ASP HB2 1462 2.770 41.412 8.509 3 U -7.306e+02 0.00e+00 - 0 1472 905 41 0 # 96 ASP HB3 1463 2.770 41.412 4.697 3 U -2.494e+03 0.00e+00 - 0 1472 905 1357 0 # 96 ASP HB3 1464 4.386 55.623 2.677 3 U 1.226e+03 0.00e+00 - 0 1751 872 1749 0 # 97 ASP HA 1465 4.386 55.623 2.568 3 U 1.889e+03 0.00e+00 - 0 1751 872 1750 0 # 97 ASP HA 1466 2.570 42.306 7.991 3 U -7.426e+02 0.00e+00 - 0 1750 873 19 0 # 97 ASP HB2 1467 2.570 42.306 4.382 3 U -1.456e+03 0.00e+00 - 0 1750 873 1751 0 # 97 ASP HB2 1468 2.677 42.306 9.375 4 U -5.172e+02 0.00e+00 - 0 0 0 0 0 # 97 ASP HB3 1469 2.677 42.306 7.994 3 U -6.794e+02 0.00e+00 - 0 1749 873 19 0 # 97 ASP HB3 1470 2.677 42.306 4.394 3 U -9.256e+02 0.00e+00 - 0 1749 873 1751 0 # 97 ASP HB3 1471 4.304 56.164 8.236 4 U 4.421e+02 0.00e+00 - 0 0 0 0 0 # 14 ARG HA 1472 4.304 56.164 7.282 4 U 5.018e+02 0.00e+00 - 0 0 0 0 0 # 14 ARG HA 1473 4.602 53.930 0.713 3 U 8.532e+02 0.00e+00 - 0 1360 1033 1763 0 # 23 LEU HA 1474 1.139 43.204 9.443 3 U -5.448e+02 0.00e+00 - 0 1447 1034 95 0 # 23 LEU HB2 1475 1.139 43.204 1.563 3 U -8.510e+02 0.00e+00 - 0 1447 1034 1484 0 # 23 LEU HB2 1476 0.580 22.165 10.027 3 U -4.760e+02 0.00e+00 - 0 1668 1762 35 0 # 23 LEU HD1 1477 0.580 22.165 7.054 4 U -5.001e+02 0.00e+00 - 0 0 0 0 0 # 23 LEU HD1 1478 0.580 22.165 4.605 3 U -4.272e+03 0.00e+00 - 0 1668 1762 1360 0 # 23 LEU HD1 1479 1.506 34.188 9.555 4 U -4.187e+02 0.00e+00 - 0 1446 984 3 0 # 24 ARG HB2 1480 1.808 34.188 3.304 3 U -4.654e+02 0.00e+00 - 0 1473 984 1489 0 # 24 ARG HB3 1481 1.808 34.188 1.614 3 U -1.817e+03 0.00e+00 - 0 1473 984 1486 0 # 24 ARG HB3 1482 1.455 26.445 8.811 4 U -4.122e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG HG2 1483 1.455 26.445 4.753 4 U -5.711e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG HG2 1484 1.612 26.445 3.822 3 U -5.803e+02 0.00e+00 - 0 1486 1485 1377 0 # 24 ARG HG3 1485 1.612 26.445 3.166 3 U -7.426e+02 0.00e+00 - 0 1486 1485 1490 0 # 24 ARG HG3 1486 3.168 41.889 0.958 4 U -5.058e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG HD2 1487 3.302 41.889 1.778 4 U -4.817e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG HD3 1488 4.338 56.842 0.773 3 U 6.177e+02 0.00e+00 - 0 1314 920 1594 0 # 25 GLU HA 1489 1.933 30.696 0.663 3 U -4.931e+02 0.00e+00 - 0 1392 921 1595 0 # 25 GLU HB 1490 1.803 37.173 9.530 3 U -4.462e+02 0.00e+00 - 0 1671 1669 3 0 # 25 GLU HG2 1491 1.276 44.776 1.416 3 U -1.478e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HB2 1492 1.719 44.776 0.869 3 U -1.528e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HB3 1493 1.423 26.910 1.730 3 U -2.368e+03 0.00e+00 - 0 1497 1498 1456 0 # 26 LEU HG 1494 0.731 27.326 9.546 3 U -4.317e+02 0.00e+00 - 0 1501 1502 3 0 # 26 LEU HD2 1495 0.731 27.326 9.409 4 U -4.654e+02 0.00e+00 - 0 1501 1502 95 0 # 26 LEU HD2 1496 0.731 27.326 6.515 4 U -4.512e+02 0.00e+00 - 0 0 0 0 0 # 26 LEU HD2 1497 0.731 27.326 4.367 3 U -4.067e+02 0.00e+00 - 0 1501 1502 1315 0 # 26 LEU HD2 1498 0.731 27.326 1.420 3 U -5.358e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HD2 1499 0.716 27.675 8.082 4 U -4.047e+02 0.00e+00 - 0 1675 1674 105 0 # 27 LEU HD2 1500 0.716 27.675 1.271 3 U -1.229e+03 0.00e+00 - 0 1675 1674 1429 0 # 27 LEU HD2 1501 1.534 33.390 8.890 3 U -4.569e+02 0.00e+00 - 0 1430 1005 157 0 # 28 ARG HB2 1502 2.015 33.390 8.807 3 U -4.618e+02 0.00e+00 - 0 1457 1005 111 0 # 28 ARG HB3 1503 2.015 33.390 4.950 3 U -4.512e+02 0.00e+00 - 0 1457 1005 1372 0 # 28 ARG HB3 1504 2.015 33.390 2.897 4 U -4.519e+02 0.00e+00 - 0 0 0 0 0 # 28 ARG HB3 1505 2.015 33.390 1.659 3 U -1.812e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG HB3 1506 5.122 51.942 4.752 3 U 7.979e+02 0.00e+00 - 0 1318 1680 1676 0 # 30 ASN HA 1507 5.122 51.942 1.560 4 U 8.895e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HA 1508 2.682 39.244 7.587 4 U -6.302e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HB3 1509 2.682 39.244 0.950 4 U -4.980e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HB3 1510 2.559 41.641 1.570 3 U -5.200e+02 0.00e+00 - 0 1432 887 1433 0 # 31 ASP HB2 1511 2.559 41.641 1.824 4 U -4.469e+02 0.00e+00 - 0 0 0 0 0 # 31 ASP HB2 1512 1.073 22.464 4.042 3 U -5.888e+02 0.00e+00 - 0 1512 1514 1397 0 # 33 VAL HG2 1513 1.073 22.464 7.774 4 U -5.335e+02 0.00e+00 - 0 0 0 0 0 # 33 VAL HG2 1514 4.202 57.066 7.389 4 U 6.572e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU HA 1515 4.202 57.066 0.797 3 U 1.105e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HA 1516 4.202 57.066 1.943 3 U 2.134e+03 0.00e+00 - 0 1322 890 1460 0 # 34 LEU HA 1517 1.571 40.767 8.328 3 U -4.142e+02 0.00e+00 - 0 1433 891 143 0 # 34 LEU HB2 1518 1.571 40.767 6.600 4 U -4.945e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU HB2 1519 1.424 27.373 8.317 3 U -4.576e+02 0.00e+00 - 0 1515 1516 143 0 # 34 LEU HG 1520 1.424 27.373 8.851 3 U -4.711e+02 0.00e+00 - 0 1515 1516 119 0 # 34 LEU HG 1521 0.946 24.215 4.671 4 U -5.931e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU HD1 1522 0.973 25.583 8.344 3 U -4.469e+02 0.00e+00 - 0 1686 1685 143 0 # 34 LEU HD2 1523 0.973 25.583 8.462 4 U -4.668e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU HD2 1524 1.560 26.695 4.391 3 U -7.256e+02 0.00e+00 - 0 1520 1519 1677 0 # 35 LEU HG 1525 0.738 24.653 8.113 3 U -4.753e+02 0.00e+00 - 0 0 0 0 0 # 35 LEU HD 1526 3.907 47.661 3.063 4 U -5.902e+02 0.00e+00 - 0 1389 1107 1465 0 # 39 GLY HA3 1527 1.909 42.534 8.085 4 U -4.087e+02 0.00e+00 - 0 0 0 0 0 # 41 LEU HB3 1528 0.849 23.979 3.398 3 U -6.624e+02 0.00e+00 - 0 1493 1494 1326 0 # 41 LEU HD1 1529 3.860 57.962 8.946 3 U 4.997e+02 0.00e+00 - 0 1329 1015 99 0 # 42 LEU HA 1530 3.860 57.962 7.289 3 U 4.841e+02 0.00e+00 - 0 1329 1015 53 0 # 42 LEU HA 1531 1.385 39.646 8.956 3 U -4.232e+02 0.00e+00 - 0 1435 1016 99 0 # 42 LEU HB2 1532 1.385 39.646 3.867 3 U -4.477e+02 0.00e+00 - 0 1435 1016 1329 0 # 42 LEU HB2 1533 0.580 22.165 4.815 4 U -1.156e+03 0.00e+00 - 0 1668 1762 1375 0 # 23 LEU HD1 1534 0.087 25.545 8.941 3 U -4.576e+02 0.00e+00 - 0 1533 1534 99 0 # 42 LEU HD2 1535 0.087 25.545 6.498 4 U -4.420e+02 0.00e+00 - 0 1533 1534 1899 0 # 42 LEU HD2 1536 4.566 50.751 8.283 4 U 9.762e+02 0.00e+00 - 0 1332 923 125 0 # 45 ALA HA 1537 1.454 20.842 4.319 3 U 8.613e+02 0.00e+00 - 0 0 0 0 0 # 45 ALA HB 1538 1.454 20.842 4.101 4 U 6.077e+02 0.00e+00 - 0 0 0 0 0 # 45 ALA HB 1539 1.454 20.842 0.115 4 U 4.862e+02 0.00e+00 - 0 0 0 0 0 # 45 ALA HB 1540 1.454 20.842 0.556 4 U 9.492e+02 0.00e+00 - 0 0 0 0 0 # 45 ALA HB 1541 2.650 39.630 3.848 4 U -4.533e+02 0.00e+00 - 0 0 0 0 0 # 46 ASP HB2 1542 1.661 38.757 9.245 4 U -4.576e+02 0.00e+00 - 0 1402 1031 121 0 # 47 ILE HB 1543 1.661 38.757 4.224 3 U -4.027e+02 0.00e+00 - 0 1402 1031 1334 0 # 47 ILE HB 1544 2.892 31.849 6.493 4 U -4.675e+02 0.00e+00 - 0 0 0 0 0 # 49 HIS HB2 1545 1.389 46.321 8.648 3 U -4.484e+02 0.00e+00 - 0 1439 953 37 0 # 50 LEU HB2 1546 1.389 46.321 4.808 3 U -5.399e+02 0.00e+00 - 0 1439 953 1375 0 # 50 LEU HB2 1547 0.797 25.307 7.258 4 U -4.358e+02 0.00e+00 - 0 0 0 0 0 # 50 LEU HD2 1548 0.797 25.307 8.605 4 U -4.287e+02 0.00e+00 - 0 1547 1546 37 0 # 50 LEU HD2 1549 5.033 61.051 4.860 3 U 2.151e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL HA 1550 0.837 24.005 8.869 3 U -4.774e+02 0.00e+00 - 0 1493 1494 119 0 # 52 LEU HD2 1551 0.837 24.005 8.338 3 U -4.902e+02 0.00e+00 - 0 1493 1494 117 0 # 52 LEU HD2 1552 2.635 41.614 0.900 4 U -4.895e+02 0.00e+00 - 0 0 0 0 0 # 53 ASP HB2 1553 2.772 41.614 8.677 4 U -7.758e+02 0.00e+00 - 0 0 0 0 0 # 53 ASP HB3 1554 2.772 41.614 -0.147 4 U -4.746e+02 0.00e+00 - 0 0 0 0 0 # 53 ASP HB3 1555 4.289 55.950 8.585 3 U 1.463e+03 0.00e+00 - 0 1358 956 103 0 # 54 GLN HA 1556 1.936 29.859 7.558 4 U -5.647e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HB2 1557 2.303 34.068 8.547 4 U -4.358e+02 0.00e+00 - 0 1560 1561 103 0 # 54 GLN HG 1558 3.896 63.655 1.614 4 U 1.137e+03 0.00e+00 - 0 1403 1705 1405 0 # 57 SER HB 1559 3.896 63.655 2.051 3 U 9.080e+02 0.00e+00 - 0 1403 1705 1420 0 # 57 SER HB 1560 0.915 17.910 8.507 4 U 4.635e+02 0.00e+00 - 0 0 0 0 0 # 58 ILE HG2 1561 0.874 13.478 8.237 4 U 5.104e+02 0.00e+00 - 0 1568 1567 27 0 # 58 ILE HD1 1562 0.874 13.478 8.376 4 U 4.507e+02 0.00e+00 - 0 1568 1567 61 0 # 58 ILE HD1 1563 0.874 13.478 4.632 4 U 4.933e+02 0.00e+00 - 0 0 0 0 0 # 58 ILE HD1 1564 1.624 27.070 7.258 4 U -4.860e+02 0.00e+00 - 0 0 0 0 0 # 59 LEU HG 1565 0.942 25.059 8.208 3 U -4.540e+02 0.00e+00 - 0 1574 1572 27 0 # 59 LEU HD1 1566 4.244 56.863 7.134 4 U 4.876e+02 0.00e+00 - 0 0 0 0 0 # 60 GLU HA 1567 2.002 29.900 4.410 4 U -4.704e+02 0.00e+00 - 0 0 0 0 0 # 60 GLU HB2 1568 3.916 63.549 1.964 4 U 5.182e+02 0.00e+00 - 0 0 0 0 0 # 62 SER HB 1569 1.654 42.513 3.939 4 U -5.172e+02 0.00e+00 - 0 1408 902 1407 0 # 63 LEU HB2 1570 4.211 61.770 8.841 4 U 6.934e+02 0.00e+00 - 0 0 0 0 0 # 65 VAL HA 1571 1.845 38.956 4.014 3 U -4.167e+02 0.00e+00 - 0 1708 861 1723 0 # 66 ILE HB 1572 0.991 17.339 4.630 4 U 5.985e+02 0.00e+00 - 0 0 0 0 0 # 66 ILE HG2 1573 0.852 13.220 8.061 4 U 5.317e+02 0.00e+00 - 0 0 0 0 0 # 66 ILE HD1 1574 0.852 13.220 4.223 3 U 5.623e+02 0.00e+00 - 0 1715 1714 1362 0 # 66 ILE HD1 1575 4.311 62.615 8.996 4 U 5.402e+02 0.00e+00 - 0 0 0 0 0 # 67 PRO HA 1576 4.311 62.615 5.284 4 U 4.841e+02 0.00e+00 - 0 0 0 0 0 # 67 PRO HA 1577 1.998 27.573 2.952 3 U -4.966e+02 0.00e+00 - 0 1727 1726 1510 0 # 67 PRO HG3 1578 1.770 28.444 8.412 3 U -4.725e+02 0.00e+00 - 0 1752 1753 133 0 # 68 ARG HG2 1579 1.770 28.444 7.991 4 U -4.611e+02 0.00e+00 - 0 0 0 0 0 # 68 ARG HG2 1580 1.770 28.444 0.751 3 U -4.888e+02 0.00e+00 - 0 1752 1753 1523 0 # 68 ARG HG2 1581 1.887 28.444 7.980 4 U -5.491e+02 0.00e+00 - 0 1754 1753 71 0 # 68 ARG HG3 1582 3.106 43.630 7.983 4 U -4.952e+02 0.00e+00 - 0 1758 1755 71 0 # 68 ARG HD2 1583 3.106 43.630 4.638 3 U -6.744e+02 0.00e+00 - 0 1758 1755 1736 0 # 68 ARG HD2 1584 3.213 43.630 4.638 3 U -7.988e+02 0.00e+00 - 0 1757 1755 1736 0 # 68 ARG HD3 1585 4.942 54.372 8.420 3 U 6.452e+02 0.00e+00 - 0 1372 1716 133 0 # 69 ARG HA 1586 1.614 34.030 4.310 4 U -5.420e+02 0.00e+00 - 0 0 0 0 0 # 69 ARG HB2 1587 2.400 35.979 2.977 3 U -6.463e+02 0.00e+00 - 0 1427 1090 1467 0 # 72 VAL HB 1588 3.090 31.130 8.101 4 U -4.845e+02 0.00e+00 - 0 0 0 0 0 # 73 HIS HB3 1589 3.090 31.130 0.587 3 U -4.952e+02 0.00e+00 - 0 1426 895 1668 0 # 73 HIS HB3 1590 2.930 31.130 0.589 3 U -4.370e+02 0.00e+00 - 0 1601 895 1668 0 # 73 HIS HB2 1591 3.817 59.548 8.127 4 U 5.111e+02 0.00e+00 - 0 0 0 0 0 # 74 GLU HA 1592 1.869 29.352 2.159 3 U -4.135e+03 0.00e+00 - 0 1454 865 1603 0 # 74 GLU HB2 1593 2.178 35.167 1.502 4 U -4.569e+02 0.00e+00 - 0 1603 1602 1446 0 # 74 GLU HG 1594 4.578 56.834 1.864 3 U 4.990e+02 0.00e+00 - 0 1343 1740 1454 0 # 75 ASP HA 1595 4.578 56.834 2.016 3 U 5.381e+02 0.00e+00 - 0 1343 1740 1481 0 # 75 ASP HA 1596 2.784 43.650 10.025 3 U -4.469e+02 0.00e+00 - 0 1440 1068 35 0 # 76 ASP HB2 1597 2.784 43.650 0.851 4 U -4.512e+02 0.00e+00 - 0 1440 1068 1607 0 # 76 ASP HB2 1598 2.784 43.650 0.737 4 U -4.498e+02 0.00e+00 - 0 1440 1068 1600 0 # 76 ASP HB2 1599 2.992 43.650 0.688 3 U -4.207e+02 0.00e+00 - 0 1467 1068 1600 0 # 76 ASP HB3 1600 3.870 58.845 9.054 3 U 4.421e+02 0.00e+00 - 0 1345 908 73 0 # 77 LEU HA 1602 0.872 25.539 8.890 4 U -4.959e+02 0.00e+00 - 0 1607 1606 51 0 # 77 LEU HD1 1603 0.807 23.336 9.043 3 U -4.569e+02 0.00e+00 - 0 1608 1609 73 0 # 77 LEU HD2 1604 1.939 29.131 8.474 4 U -4.147e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG HG3 1605 1.720 26.896 8.438 4 U -3.831e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG HG 1606 1.303 21.049 8.665 3 U 5.779e+02 0.00e+00 - 0 1632 1633 55 0 # 85 THR HG2 1607 4.106 46.111 0.801 3 U -5.590e+02 0.00e+00 - 0 1383 1110 1638 0 # 88 GLY HA2 1608 4.292 46.111 1.687 4 U -5.115e+02 0.00e+00 - 0 0 0 0 0 # 88 GLY HA3 1609 4.292 46.111 6.518 4 U -5.860e+02 0.00e+00 - 0 0 0 0 0 # 88 GLY HA3 1610 1.420 26.226 5.590 4 U -3.666e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HG 1611 1.620 29.346 0.912 4 U -6.774e+02 0.00e+00 - 0 1451 1041 1686 0 # 92 GLU HB2 1612 0.790 13.474 8.842 3 U 1.135e+03 0.00e+00 - 0 1541 1540 25 0 # 47 ILE HD1 1613 0.790 13.474 8.371 4 U 4.058e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1614 0.790 13.474 8.264 3 U 8.824e+02 0.00e+00 - 0 1541 1540 125 0 # 47 ILE HD1 1615 0.790 13.474 4.573 4 U 6.864e+02 0.00e+00 - 0 1541 1540 1332 0 # 47 ILE HD1 1616 0.790 13.474 4.225 3 U 1.726e+03 0.00e+00 - 0 1541 1540 1334 0 # 47 ILE HD1 1617 0.790 13.474 4.114 3 U 7.417e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1618 0.790 13.474 3.983 3 U 4.415e+03 0.00e+00 - 0 1541 1540 1347 0 # 47 ILE HD1 1619 0.790 13.474 3.861 3 U 1.776e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1620 0.790 13.474 2.996 3 U 1.282e+03 0.00e+00 - 0 1541 1540 1467 0 # 47 ILE HD1 1621 0.790 13.474 2.785 3 U 4.556e+02 0.00e+00 - 0 1541 1540 1440 0 # 47 ILE HD1 1622 0.790 13.474 1.788 4 U 2.321e+03 0.00e+00 - 0 1541 1540 1414 0 # 47 ILE HD1 1623 0.790 13.474 1.667 3 U 1.266e+04 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1624 0.790 13.474 1.478 4 U 8.783e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1625 0.790 13.474 1.909 4 U 6.794e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1626 0.790 13.474 2.017 4 U 6.311e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1627 0.860 25.206 7.307 4 U -7.276e+02 0.00e+00 - 0 0 0 0 0 # 17 LEU HD2 1628 0.860 25.206 4.175 3 U -1.174e+03 0.00e+00 - 0 1856 1855 1379 0 # 17 LEU HD2 1629 1.444 26.222 7.518 4 U -4.746e+02 0.00e+00 - 0 1504 1505 179 0 # 27 LEU HG 1630 1.444 26.222 1.828 4 U -2.312e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HG 1631 1.660 27.325 8.247 3 U -1.141e+03 0.00e+00 - 0 1537 1535 125 0 # 47 ILE HG12 1632 1.660 27.325 4.230 3 U -1.035e+03 0.00e+00 - 0 1537 1535 1334 0 # 47 ILE HG12 1633 1.660 27.325 0.801 3 U -5.149e+03 0.00e+00 - 0 1537 1535 1541 0 # 47 ILE HG12 1634 1.660 27.325 0.907 4 U -1.052e+04 0.00e+00 - 0 0 0 0 0 # 47 ILE HG12 1635 0.886 27.325 8.237 3 U -5.775e+02 0.00e+00 - 0 1538 1535 125 0 # 47 ILE HG13 1636 0.886 27.325 4.246 3 U -1.032e+03 0.00e+00 - 0 1538 1535 1334 0 # 47 ILE HG13 1637 1.669 26.905 8.346 4 U -4.902e+02 0.00e+00 - 0 0 0 0 0 # 63 LEU HG 1638 1.484 26.647 7.393 3 U -4.668e+02 0.00e+00 - 0 1605 1604 43 0 # 77 LEU HG 1639 1.484 26.647 3.851 3 U -8.219e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU HG 1640 1.484 26.647 3.249 3 U -5.761e+02 0.00e+00 - 0 1605 1604 1614 0 # 77 LEU HG 1641 1.484 26.647 3.113 3 U -4.391e+02 0.00e+00 - 0 1605 1604 1615 0 # 77 LEU HG 1642 1.484 26.647 1.960 3 U -2.241e+03 0.00e+00 - 0 1605 1604 1468 0 # 77 LEU HG 1643 1.484 26.647 0.823 3 U -3.446e+03 0.00e+00 - 0 1605 1604 1608 0 # 77 LEU HG 1644 0.580 22.165 1.139 0 U -2.422e+03 0.00e+00 - 0 1668 1762 1447 0 # 23 LEU HD1 1645 4.338 56.842 7.545 0 U 5.082e+02 0.00e+00 - 0 1314 920 179 0 # 25 GLU HA 1646 4.338 56.842 1.508 0 U 4.254e+02 0.00e+00 - 0 1314 920 1592 0 # 25 GLU HA 1647 1.803 37.173 8.772 0 U -3.620e+02 0.00e+00 - 0 1671 1669 83 0 # 25 GLU HG2 1648 1.719 44.776 1.995 0 U -6.051e+02 0.00e+00 - 0 1456 851 1423 0 # 26 LEU HB3 1649 0.884 24.433 9.560 0 U -4.916e+02 0.00e+00 - 0 1499 1500 3 0 # 26 LEU HD1 1650 0.731 27.326 1.973 0 U -1.224e+03 0.00e+00 - 0 1501 1502 1423 0 # 26 LEU HD2 1651 1.444 26.222 4.332 0 U -4.187e+02 0.00e+00 - 0 1504 1505 1367 0 # 27 LEU HG 1652 0.716 27.684 2.222 0 U -7.617e+02 0.00e+00 - 0 1675 1674 1478 0 # 26 LEU HD2 1653 0.716 27.675 1.628 0 U -1.460e+03 0.00e+00 - 0 1675 1674 1451 0 # 26 LEU HD2 1654 0.920 19.071 8.749 0 U 5.061e+02 0.00e+00 - 0 1678 1679 83 0 # 29 THR HG2 1655 5.122 51.942 7.950 0 U 6.006e+02 0.00e+00 - 0 1318 1680 71 0 # 30 ASN HA 1656 1.535 19.373 3.715 0 U 7.547e+02 0.00e+00 - 0 1394 847 1321 0 # 32 ALA HB 1657 1.558 18.147 3.410 0 U 6.783e+02 0.00e+00 - 0 1398 869 1326 0 # 37 ALA HB 1658 1.525 18.269 2.743 0 U 4.890e+02 0.00e+00 - 0 1400 1310 1436 0 # 40 ALA HB 1659 1.704 25.912 0.716 0 U -6.523e+02 0.00e+00 - 0 1530 1529 1527 0 # 42 LEU HG 1660 1.704 25.912 0.842 0 U -4.441e+02 0.00e+00 - 0 1530 1529 1588 0 # 42 LEU HG 1661 4.547 57.290 8.046 0 U 6.141e+02 0.00e+00 - 0 1330 990 149 0 # 43 ASP HA 1662 4.333 55.263 7.310 0 U 4.471e+02 0.00e+00 - 0 1333 1059 53 0 # 46 ASP HA 1663 3.120 39.630 4.571 0 U -4.760e+02 0.00e+00 - 0 1464 1060 1332 0 # 46 ASP HA 1664 1.099 21.532 3.086 0 U -5.058e+02 0.00e+00 - 0 1549 1548 1758 0 # 51 VAL HG1 1665 1.188 27.342 4.231 0 U -1.349e+03 0.00e+00 - 0 1565 1562 1338 0 # 58 ILE HG13 1666 0.915 17.910 1.463 0 U 2.676e+03 0.00e+00 - 0 1566 1563 1564 0 # 58 ILE HG2 1667 2.042 32.172 7.963 0 U -4.583e+02 0.00e+00 - 0 1730 1729 71 0 # 67 PRO HB3 1668 0.759 21.540 3.739 0 U -6.383e+02 0.00e+00 - 0 1589 1590 1323 0 # 70 VAL HG2 1669 5.407 53.280 9.442 0 U 6.733e+02 0.00e+00 - 0 1376 853 95 0 # 71 LEU HA 1670 2.400 35.979 1.508 0 U -4.874e+02 0.00e+00 - 0 1427 1090 1411 0 # 72 VAL HB 1671 0.972 22.840 3.849 0 U -5.236e+02 0.00e+00 - 0 1598 1597 1345 0 # 72 VAL HG1 1672 0.704 19.290 2.977 0 U 4.720e+02 0.00e+00 - 0 1600 1599 1467 0 # 72 VAL HG1 1673 4.278 59.180 8.836 0 U 4.940e+02 0.00e+00 - 0 1374 894 199 0 # 73 HIS HA 1674 1.476 17.703 7.389 0 U 4.762e+02 0.00e+00 - 0 1410 949 43 0 # 78 ALA HB ; save_