*HEADER HORMONE 28-APR-09 SMS20081 *TITLE SOLUTION STRUCTURES OF BRADYKININ - PENTA-O-GALLOYL-D-GLUCOPYRANOSE *TITLE 2 COMPLEXES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: BRADYKININ; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDES 381-389; *COMPND 5 SYNONYM: KALLIDIN I; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN; *SOURCE 5 ORGANISM_TAXID: 9606; *SOURCE 6 OTHER_DETAILS: CHEMICALLY SYNTHESIZED *KEYWDS BRADYKININ, PENTA-O-GALLOYL-D-GLUCOPYRANOSE, HORMONE *EXPDTA SOLUTION NMR *NUMMDL 13 *AUTHOR J.-P.MONTI, S.VERGE !BIOSYM restraint 1 ! #remote_prochiral_center ! #chiral 1:AR+N_1:CA S 1:PRO_2:CA S 1:PRO_3:CA S 1:PHE_5:CA S 1:SER_6:CA S 1:PRO_7:CA S 1:PHE_8:CA S 1:AR+C_9:CA S ! 1:BDGL_1F:C1 S 1:BDGL_1F:C2 R 1:BDGL_1F:C3 S 1:BDGL_1F:C4 R 1:BDGL_1F:C5 R ! #NOE_distance 1:AR+N_1:HA 1:AR+N_1:HB* -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:AR+N_1:HA 1:AR+N_1:HG* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:AR+N_1:HA 1:AR+N_1:HD* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:AR+N_1:HB* 1:AR+N_1:HD* -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:AR+N_1:HG* 1:AR+N_1:HD* -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 ! 1:PRO_2:HA 1:PRO_2:HB* -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:PRO_2:HA 1:PRO_2:HG* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PRO_2:HA 1:PRO_2:HD* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PRO_2:HB* 1:PRO_2:HD* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 ! 1:PRO_3:HA 1:PRO_3:HB* -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:PRO_3:HA 1:PRO_3:HG* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PRO_3:HB* 1:PRO_3:HG* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PRO_3:HG* 1:PRO_3:HD* -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 ! 1:GLY_4:HA* 1:GLY_4:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 ! 1:PHE_5:HA 1:PHE_5:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PHE_5:HA 1:PHE_5:HB* -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:PHE_5:HN 1:PHE_5:HB* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PHE_5:HA 1:PHE_5:HD* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PHE_5:HB* 1:PHE_5:HD* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PHE_5:HB* 1:PHE_5:HE* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 ! 1:SER_6:HA 1:SER_6:HN -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:SER_6:HA 1:SER_6:HB* -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:SER_6:HB* 1:SER_6:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 ! 1:PRO_7:HA 1:PRO_7:HB* -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:PRO_7:HA 1:PRO_7:HG* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PRO_7:HB* 1:PRO_7:HD* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PRO_7:HG* 1:PRO_7:HD* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 ! 1:PHE_8:HA 1:PHE_8:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PHE_8:HA 1:PHE_8:HB* -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:PHE_8:HA 1:PHE_8:HD* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PHE_8:HB* 1:PHE_8:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PHE_8:HB* 1:PHE_8:HD* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PHE_8:HB* 1:PHE_8:HE* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 ! 1:AR+C_9:HA 1:AR+C_9:HN -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:AR+C_9:HA 1:AR+C_9:HB* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:AR+C_9:HA 1:AR+C_9:HG* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:AR+C_9:HA 1:AR+C_9:HD* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:AR+C_9:HB* 1:AR+C_9:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:AR+C_9:HB* 1:AR+C_9:HD* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:AR+C_9:HG* 1:AR+C_9:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:AR+C_9:HG* 1:AR+C_9:HD* -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:AR+C_9:HD* 1:AR+C_9:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 ! 1:AR+N_1:HA 1:PRO_2:HD* -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:AR+N_1:HB* 1:PRO_2:HD* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 ! 1:PRO_2:HA 1:PRO_3:HD* -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:PRO_2:HB* 1:PRO_3:HD* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 ! 1:PRO_3:HA 1:GLY_4:HN -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:PRO_3:HB* 1:GLY_4:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 ! 1:GLY_4:HA* 1:PHE_5:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:GLY_4:HN 1:PHE_5:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:GLY_4:HA* 1:PHE_5:HD* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 ! 1:PHE_5:HA 1:SER_6:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PHE_5:HB* 1:SER_6:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 ! 1:SER_6:HA 1:PRO_7:HD* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 ! 1:PRO_7:HA 1:PHE_8:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PRO_7:HB* 1:PHE_8:HN -1.000 3.500 3.500 30.00 30.00 1000.000 0.00 1:PRO_7:HB* 1:PHE_8:HD* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PRO_7:HB* 1:PHE_8:HE* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PRO_7:HD* 1:PHE_8:HD* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 ! 1:PHE_8:HA 1:AR+C_9:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PHE_8:HN 1:AR+C_9:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PHE_8:HB* 1:AR+C_9:HN -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:PHE_8:HD* 1:AR+C_9:HA -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PHE_8:HD* 1:AR+C_9:HG* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 ! 1:AR+N_1:HD* 1:PHE_5:HD* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PRO_2:HB* 1:PHE_5:HD* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PRO_2:HD* 1:PHE_5:HD* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PHE_5:HD* 1:PRO_7:HA -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PHE_5:HE* 1:PRO_7:HA -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PHE_5:HE* 1:PRO_7:HB* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PRO_7:HA 1:AR+C_9:HN -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 ! 1:BDGL_1F:H1 1:BDGL_1F:H2 -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:BDGL_1F:H1 1:BDGL_1F:H3 -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:BDGL_1F:H1 1:BDGL_1F:H4 -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:BDGL_1F:H1 1:BDGL_1F:H5 -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:BDGL_1F:H1 1:BDGL_1F:H6* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:BDGL_1F:H2 1:BDGL_1F:H3 -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:BDGL_1F:H2 1:BENZ_1B:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:BDGL_1F:H2 1:BENZ_1W:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:BDGL_1F:H3 1:BDGL_1F:H5 -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:BDGL_1F:H5 1:BENZ_1B:H* -1.000 5.000 5.000 30.00 30.00 1000.000 0.00 1:BDGL_1F:H5 1:BENZ_1M:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:BDGL_1F:H5 1:BENZ_1W:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:BDGL_1F:H6* 1:BENZ_1H:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 ! 1:PRO_3:HD* 1:BENZ_1M:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:GLY_4:HA* 1:BENZ_1M:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:GLY_4:HA* 1:BENZ_1R:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PHE_5:HB* 1:BENZ_1M:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PRO_7:HD* 1:BENZ_1R:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PRO_7:HD* 1:BENZ_1M:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:PRO_7:HG* 1:BENZ_1R:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:AR+C_9:HB* 1:BENZ_1H:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:AR+C_9:HG* 1:BENZ_1H:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:AR+C_9:HA 1:BENZ_1W:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:AR+C_9:HD* 1:BENZ_1H:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 1:AR+C_9:HB* 1:BENZ_1W:H* -1.000 6.000 6.000 30.00 30.00 1000.000 0.00 ! #mixing_times -9.990000E+02 ! #NMR_dihedral 1:AR+N_1:CA 1:AR+N_1:C 1:PRO_2:N 1:PRO_2:CA 180.000 180.000 100.00 100.00 1000.000 1:PRO_2:CA 1:PRO_2:C 1:PRO_3:N 1:PRO_3:CA 180.000 180.000 100.00 100.00 1000.000 1:PRO_3:CA 1:PRO_3:C 1:GLY_4:N 1:GLY_4:CA 180.000 180.000 100.00 100.00 1000.000 1:GLY_4:CA 1:GLY_4:C 1:PHE_5:N 1:PHE_5:CA 180.000 180.000 100.00 100.00 1000.000 1:PHE_5:CA 1:PHE_5:C 1:SER_6:N 1:SER_6:CA 180.000 180.000 100.00 100.00 1000.000 1:SER_6:CA 1:SER_6:C 1:PRO_7:N 1:PRO_7:CA 180.000 180.000 100.00 100.00 1000.000 1:PRO_7:CA 1:PRO_7:C 1:PHE_8:N 1:PHE_8:CA 180.000 180.000 100.00 100.00 1000.000 1:PHE_8:CA 1:PHE_8:C 1:AR+C_9:N 1:AR+C_9:CA 180.000 180.000 100.00 100.00 1000.000 ! Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HN1 ARG 1 6.203 -2.172 -6.593 2 H2 ARG 1 HN2 ARG 1 6.443 -1.899 -4.982 3 H3 ARG 1 HN3 ARG 1 5.071 -1.347 -5.717 4 HA ARG 1 HA ARG 1 6.308 0.159 -7.102 5 HB2 ARG 1 HB1 ARG 1 5.450 0.783 -4.702 6 HB3 ARG 1 HB2 ARG 1 7.102 0.547 -4.148 7 HG2 ARG 1 HG1 ARG 1 7.832 2.392 -5.740 8 HG3 ARG 1 HG2 ARG 1 6.170 2.609 -6.263 9 HD2 ARG 1 HD2 ARG 1 7.071 2.999 -3.326 10 HD3 ARG 1 HD1 ARG 1 7.138 4.269 -4.534 11 HE ARG 1 HE ARG 1 4.607 3.115 -3.350 12 HH11 ARG 1 1HH2 ARG 1 5.909 5.527 -5.684 13 HH12 ARG 1 2HH2 ARG 1 4.270 6.351 -5.712 14 HH21 ARG 1 1HH1 ARG 1 2.844 4.149 -3.495 15 HH22 ARG 1 2HH1 ARG 1 2.673 5.628 -4.568 16 HA PRO 2 HA PRO 2 10.600 -1.495 -7.836 17 HB2 PRO 2 HB1 PRO 2 11.248 1.364 -8.770 18 HB3 PRO 2 HB2 PRO 2 11.731 -0.188 -9.490 19 HG2 PRO 2 HG1 PRO 2 9.639 1.136 -10.557 20 HG3 PRO 2 HG2 PRO 2 9.463 -0.619 -10.282 21 HD2 PRO 2 HD2 PRO 2 8.434 1.673 -8.525 22 HD3 PRO 2 HD1 PRO 2 7.571 0.195 -9.040 23 HA PRO 3 HA PRO 3 13.088 -0.359 -4.186 24 HB2 PRO 3 HB2 PRO 3 15.712 -0.602 -5.686 25 HB3 PRO 3 HB1 PRO 3 15.197 -1.381 -4.169 26 HG2 PRO 3 HG1 PRO 3 15.198 -2.821 -6.472 27 HG3 PRO 3 HG2 PRO 3 13.807 -2.965 -5.361 28 HD2 PRO 3 HD2 PRO 3 13.989 -1.188 -7.872 29 HD3 PRO 3 HD1 PRO 3 12.706 -2.355 -7.439 30 H GLY 4 HN GLY 4 14.214 1.422 -7.009 31 HA2 GLY 4 HA2 GLY 4 14.103 4.069 -5.537 32 HA3 GLY 4 HA1 GLY 4 15.695 3.619 -6.205 33 H PHE 5 HN PHE 5 12.384 4.404 -7.005 34 HA PHE 5 HA PHE 5 12.331 3.741 -9.791 35 HB2 PHE 5 HB1 PHE 5 10.286 4.934 -9.960 36 HB3 PHE 5 HB2 PHE 5 10.316 4.082 -8.445 37 HD1 PHE 5 HD1 PHE 5 10.454 5.394 -6.247 38 HD2 PHE 5 HD2 PHE 5 10.276 7.453 -10.029 39 HE1 PHE 5 HE1 PHE 5 10.009 7.501 -5.113 40 HE2 PHE 5 HE2 PHE 5 9.833 9.534 -8.851 41 HZ PHE 5 HZ PHE 5 9.686 9.571 -6.395 42 H SER 6 HN SER 6 12.168 5.093 -11.711 43 HA SER 6 HA SER 6 14.586 6.647 -12.121 44 HB2 SER 6 HB1 SER 6 13.858 6.903 -14.439 45 HB3 SER 6 HB2 SER 6 13.617 5.238 -13.886 46 HG SER 6 HG SER 6 11.814 6.078 -14.980 47 HA PRO 7 HA PRO 7 12.431 10.654 -10.963 48 HB2 PRO 7 HB2 PRO 7 14.518 12.296 -10.331 49 HB3 PRO 7 HB1 PRO 7 13.966 10.963 -9.281 50 HG2 PRO 7 HG1 PRO 7 16.318 10.962 -11.228 51 HG3 PRO 7 HG2 PRO 7 16.300 10.395 -9.534 52 HD2 PRO 7 HD1 PRO 7 15.982 8.680 -11.723 53 HD3 PRO 7 HD2 PRO 7 15.238 8.354 -10.143 54 H PHE 8 HN PHE 8 15.296 11.104 -13.108 55 HA PHE 8 HA PHE 8 13.558 12.487 -15.213 56 HB2 PHE 8 HB2 PHE 8 15.158 14.361 -15.387 57 HB3 PHE 8 HB1 PHE 8 14.506 14.276 -13.775 58 HD1 PHE 8 HD1 PHE 8 17.652 13.791 -15.806 59 HD2 PHE 8 HD2 PHE 8 16.012 13.504 -11.837 60 HE1 PHE 8 HE1 PHE 8 19.873 13.751 -14.853 61 HE2 PHE 8 HE2 PHE 8 18.243 13.474 -10.927 62 HZ PHE 8 HZ PHE 8 20.203 13.604 -12.422 63 H ARG 9 HN ARG 9 15.866 10.091 -14.766 64 HA ARG 9 HA ARG 9 16.797 10.189 -17.678 65 HB2 ARG 9 HB2 ARG 9 18.436 11.027 -15.635 66 HB3 ARG 9 HB1 ARG 9 18.546 9.341 -15.279 67 HG2 ARG 9 HG2 ARG 9 20.448 9.860 -16.466 68 HG3 ARG 9 HG1 ARG 9 19.460 8.982 -17.648 69 HD2 ARG 9 HD2 ARG 9 18.853 11.217 -18.698 70 HD3 ARG 9 HD1 ARG 9 19.857 12.042 -17.497 71 HE ARG 9 HE ARG 9 20.881 10.232 -19.735 72 HH11 ARG 9 2HH2 ARG 9 21.829 12.533 -17.132 73 HH12 ARG 9 1HH2 ARG 9 23.524 12.591 -17.834 74 HH21 ARG 9 1HH1 ARG 9 22.814 10.409 -20.389 75 HH22 ARG 9 2HH1 ARG 9 24.033 11.482 -19.533 76 1HH1 UVL 10 1HH1 UVL 1 24.367 5.969 -6.279 77 1HH2 UVL 10 1HH2 UVL 1 26.673 9.178 -8.203 78 H14 UVL 10 H14 UVL 1 23.779 10.051 -10.060 79 H16 UVL 10 H16 UVL 1 21.547 6.929 -8.180 80 HH1 UVL 10 HH1 UVL 1 26.593 8.050 -7.232 81 H5 UVL 10 H5 UVL 1 20.832 5.439 -12.771 82 H1 UVL 10 H1 UVL 1 20.704 6.322 -10.275 83 H2 UVL 10 H2 UVL 1 17.745 7.130 -10.810 84 H3 UVL 10 H3 UVL 1 19.189 4.457 -11.194 85 H4 UVL 10 H4 UVL 1 17.976 6.456 -13.226 86 H61 UVL 10 H61 UVL 1 20.488 5.952 -15.182 87 H62 UVL 10 H62 UVL 1 19.736 7.499 -14.817 88 2HH1 UVL 10 2HH1 UVL 1 26.181 12.618 -14.518 89 2HH2 UVL 10 2HH2 UVL 1 27.624 8.513 -15.137 90 H24 UVL 10 H24 UVL 1 24.306 7.356 -14.805 91 H26 UVL 10 H26 UVL 1 22.896 11.352 -14.202 92 HH2 UVL 10 HH2 UVL 1 27.302 11.669 -14.766 93 3HH1 UVL 10 3HH1 UVL 1 12.836 4.044 -13.217 94 3HH2 UVL 10 3HH2 UVL 1 15.034 -1.061 -10.442 95 H34 UVL 10 H34 UVL 1 16.341 0.727 -10.381 96 H36 UVL 10 H36 UVL 1 14.820 4.228 -12.272 97 HH3 UVL 10 HH3 UVL 1 12.330 -0.403 -12.012 98 4HH1 UVL 10 4HH1 UVL 1 16.096 6.723 -2.708 99 4HH2 UVL 10 4HH2 UVL 1 19.074 3.027 -5.546 100 H44 UVL 10 H44 UVL 1 18.651 4.457 -7.138 101 H46 UVL 10 H46 UVL 1 16.315 7.872 -6.043 102 HH4 UVL 10 HH4 UVL 1 17.753 3.995 -2.804 103 5HH1 UVL 10 5HH1 UVL 1 20.003 3.751 -19.603 104 5HH2 UVL 10 5HH2 UVL 1 15.660 4.267 -20.053 105 H54 UVL 10 H54 UVL 1 15.404 4.619 -16.525 106 H56 UVL 10 H56 UVL 1 19.620 4.107 -16.094 107 HH5 UVL 10 HH5 UVL 1 17.001 4.027 -20.658 Start of MODEL 2 1 H1 ARG 1 HN1 ARG 1 6.374 -0.910 -4.654 2 H2 ARG 1 HN2 ARG 1 6.087 -1.741 -6.053 3 H3 ARG 1 HN3 ARG 1 5.017 -0.591 -5.542 4 HA ARG 1 HA ARG 1 6.333 0.235 -7.397 5 HB2 ARG 1 HB2 ARG 1 6.919 1.567 -4.680 6 HB3 ARG 1 HB1 ARG 1 7.440 2.288 -6.199 7 HG2 ARG 1 HG2 ARG 1 5.055 2.436 -6.992 8 HG3 ARG 1 HG1 ARG 1 4.505 1.759 -5.460 9 HD2 ARG 1 HD1 ARG 1 5.516 3.746 -4.229 10 HD3 ARG 1 HD2 ARG 1 6.050 4.418 -5.780 11 HE ARG 1 HE ARG 1 3.127 3.814 -5.719 12 HH11 ARG 1 2HH2 ARG 1 5.488 6.437 -4.994 13 HH12 ARG 1 1HH2 ARG 1 4.130 7.664 -5.131 14 HH21 ARG 1 2HH1 ARG 1 1.732 5.310 -5.836 15 HH22 ARG 1 1HH1 ARG 1 2.174 7.071 -5.570 16 HA PRO 2 HA PRO 2 10.575 -1.454 -7.842 17 HB2 PRO 2 HB1 PRO 2 11.342 1.361 -8.847 18 HB3 PRO 2 HB2 PRO 2 11.864 -0.219 -9.472 19 HG2 PRO 2 HG2 PRO 2 9.850 1.057 -10.728 20 HG3 PRO 2 HG1 PRO 2 9.647 -0.684 -10.383 21 HD2 PRO 2 HD2 PRO 2 8.489 1.691 -8.845 22 HD3 PRO 2 HD1 PRO 2 7.696 0.150 -9.281 23 HA PRO 3 HA PRO 3 13.015 -0.321 -4.158 24 HB2 PRO 3 HB1 PRO 3 15.671 -0.610 -5.591 25 HB3 PRO 3 HB2 PRO 3 15.111 -1.367 -4.080 26 HG2 PRO 3 HG2 PRO 3 15.150 -2.832 -6.366 27 HG3 PRO 3 HG1 PRO 3 13.730 -2.946 -5.288 28 HD2 PRO 3 HD2 PRO 3 13.997 -1.199 -7.813 29 HD3 PRO 3 HD1 PRO 3 12.688 -2.345 -7.399 30 H GLY 4 HN GLY 4 14.233 1.414 -6.969 31 HA2 GLY 4 HA1 GLY 4 14.129 4.080 -5.523 32 HA3 GLY 4 HA2 GLY 4 15.717 3.605 -6.187 33 H PHE 5 HN PHE 5 12.416 4.425 -6.992 34 HA PHE 5 HA PHE 5 12.360 3.713 -9.774 35 HB2 PHE 5 HB1 PHE 5 10.312 4.907 -9.956 36 HB3 PHE 5 HB2 PHE 5 10.344 4.052 -8.444 37 HD1 PHE 5 HD1 PHE 5 10.440 5.352 -6.246 38 HD2 PHE 5 HD2 PHE 5 10.310 7.431 -10.018 39 HE1 PHE 5 HE1 PHE 5 9.960 7.449 -5.108 40 HE2 PHE 5 HE2 PHE 5 9.832 9.502 -8.837 41 HZ PHE 5 HZ PHE 5 9.645 9.524 -6.384 42 H SER 6 HN SER 6 12.195 5.040 -11.706 43 HA SER 6 HA SER 6 14.603 6.586 -12.150 44 HB2 SER 6 HB2 SER 6 13.840 6.853 -14.460 45 HB3 SER 6 HB1 SER 6 13.597 5.189 -13.903 46 HG SER 6 HG SER 6 11.782 6.041 -14.968 47 HA PRO 7 HA PRO 7 12.476 10.588 -10.949 48 HB2 PRO 7 HB1 PRO 7 14.548 12.205 -10.269 49 HB3 PRO 7 HB2 PRO 7 14.008 10.829 -9.270 50 HG2 PRO 7 HG1 PRO 7 16.377 10.928 -11.188 51 HG3 PRO 7 HG2 PRO 7 16.333 10.267 -9.530 52 HD2 PRO 7 HD1 PRO 7 16.028 8.719 -11.866 53 HD3 PRO 7 HD2 PRO 7 15.360 8.238 -10.289 54 H PHE 8 HN PHE 8 15.341 11.105 -13.099 55 HA PHE 8 HA PHE 8 13.535 12.526 -15.113 56 HB2 PHE 8 HB2 PHE 8 15.113 14.387 -15.366 57 HB3 PHE 8 HB1 PHE 8 14.426 14.301 -13.768 58 HD1 PHE 8 HD1 PHE 8 15.883 13.702 -11.769 59 HD2 PHE 8 HD2 PHE 8 17.608 13.915 -15.713 60 HE1 PHE 8 HE1 PHE 8 18.105 13.735 -10.817 61 HE2 PHE 8 HE2 PHE 8 19.821 13.946 -14.710 62 HZ PHE 8 HZ PHE 8 20.091 13.862 -12.269 63 H ARG 9 HN ARG 9 15.646 9.991 -14.994 64 HA ARG 9 HA ARG 9 15.840 9.865 -17.941 65 HB2 ARG 9 HB1 ARG 9 18.270 9.468 -18.201 66 HB3 ARG 9 HB2 ARG 9 17.747 11.111 -17.930 67 HG2 ARG 9 HG1 ARG 9 18.537 10.521 -15.358 68 HG3 ARG 9 HG2 ARG 9 19.483 9.293 -16.184 69 HD2 ARG 9 HD2 ARG 9 19.627 12.297 -16.846 70 HD3 ARG 9 HD1 ARG 9 20.622 11.514 -15.619 71 HE ARG 9 HE ARG 9 21.256 9.956 -17.830 72 HH11 ARG 9 1HH2 ARG 9 21.244 13.549 -17.563 73 HH12 ARG 9 2HH2 ARG 9 22.529 13.627 -18.871 74 HH21 ARG 9 1HH1 ARG 9 22.687 10.222 -19.276 75 HH22 ARG 9 2HH1 ARG 9 23.278 11.890 -19.761 76 1HH1 UVL 10 1HH1 UVL 1 22.602 5.988 -6.729 77 1HH2 UVL 10 1HH2 UVL 1 26.408 9.675 -8.317 78 H14 UVL 10 H14 UVL 1 23.411 10.402 -10.071 79 H16 UVL 10 H16 UVL 1 21.416 7.146 -8.150 80 HH1 UVL 10 HH1 UVL 1 26.421 8.537 -7.353 81 H5 UVL 10 H5 UVL 1 20.637 5.671 -12.743 82 H1 UVL 10 H1 UVL 1 20.538 6.511 -10.226 83 H2 UVL 10 H2 UVL 1 17.527 7.163 -10.663 84 H3 UVL 10 H3 UVL 1 19.087 4.566 -11.097 85 H4 UVL 10 H4 UVL 1 17.693 6.497 -13.067 86 H61 UVL 10 H61 UVL 1 19.322 7.698 -14.672 87 H62 UVL 10 H62 UVL 1 20.113 6.182 -15.138 88 2HH1 UVL 10 2HH1 UVL 1 26.323 10.782 -13.249 89 2HH2 UVL 10 2HH2 UVL 1 25.097 10.167 -18.606 90 H24 UVL 10 H24 UVL 1 23.403 9.104 -17.716 91 H26 UVL 10 H26 UVL 1 23.314 8.942 -13.442 92 HH2 UVL 10 HH2 UVL 1 27.027 11.290 -16.322 93 3HH1 UVL 10 3HH1 UVL 1 11.914 2.380 -13.343 94 3HH2 UVL 10 3HH2 UVL 1 13.509 -1.209 -11.366 95 H34 UVL 10 H34 UVL 1 16.355 0.686 -10.381 96 H36 UVL 10 H36 UVL 1 14.803 4.161 -12.298 97 HH3 UVL 10 HH3 UVL 1 12.437 -0.540 -12.158 98 4HH1 UVL 10 4HH1 UVL 1 16.046 6.596 -2.540 99 4HH2 UVL 10 4HH2 UVL 1 18.539 3.191 -3.764 100 H44 UVL 10 H44 UVL 1 18.616 4.496 -7.042 101 H46 UVL 10 H46 UVL 1 16.187 7.815 -5.856 102 HH4 UVL 10 HH4 UVL 1 16.755 5.330 -2.203 103 5HH1 UVL 10 5HH1 UVL 1 16.107 4.630 -20.164 104 5HH2 UVL 10 5HH2 UVL 1 20.338 3.806 -19.301 105 H54 UVL 10 H54 UVL 1 19.631 4.125 -15.838 106 H56 UVL 10 H56 UVL 1 15.525 4.940 -16.671 107 HH5 UVL 10 HH5 UVL 1 19.230 3.968 -20.284 Start of MODEL 3 1 H1 ARG 1 HN1 ARG 1 7.054 -0.741 -2.602 2 H2 ARG 1 HN2 ARG 1 5.512 -0.553 -3.164 3 H3 ARG 1 HN3 ARG 1 6.450 -1.793 -3.723 4 HA ARG 1 HA ARG 1 6.274 -0.079 -5.376 5 HB2 ARG 1 HB1 ARG 1 7.078 2.121 -5.128 6 HB3 ARG 1 HB2 ARG 1 5.833 1.819 -3.947 7 HG2 ARG 1 HG2 ARG 1 7.437 1.804 -2.079 8 HG3 ARG 1 HG1 ARG 1 8.810 1.857 -3.184 9 HD2 ARG 1 HD1 ARG 1 8.153 4.136 -3.981 10 HD3 ARG 1 HD2 ARG 1 6.728 4.128 -2.930 11 HE ARG 1 HE ARG 1 9.229 3.600 -1.410 12 HH11 ARG 1 2HH2 ARG 1 7.251 6.345 -2.649 13 HH12 ARG 1 1HH2 ARG 1 8.016 7.435 -1.387 14 HH21 ARG 1 2HH1 ARG 1 9.983 4.950 -0.066 15 HH22 ARG 1 1HH1 ARG 1 9.440 6.702 -0.042 16 HA PRO 2 HA PRO 2 10.271 -1.620 -6.938 17 HB2 PRO 2 HB2 PRO 2 11.279 0.514 -8.557 18 HB3 PRO 2 HB1 PRO 2 10.096 -0.714 -9.035 19 HG2 PRO 2 HG1 PRO 2 9.556 2.053 -7.848 20 HG3 PRO 2 HG2 PRO 2 8.880 1.372 -9.363 21 HD2 PRO 2 HD2 PRO 2 7.420 1.321 -7.124 22 HD3 PRO 2 HD1 PRO 2 7.504 -0.205 -8.044 23 HA PRO 3 HA PRO 3 13.534 -0.115 -4.131 24 HB2 PRO 3 HB1 PRO 3 16.022 -0.494 -5.188 25 HB3 PRO 3 HB2 PRO 3 14.904 -1.827 -4.806 26 HG2 PRO 3 HG1 PRO 3 15.463 -0.585 -7.528 27 HG3 PRO 3 HG2 PRO 3 15.318 -2.315 -7.115 28 HD2 PRO 3 HD2 PRO 3 13.249 -0.679 -8.162 29 HD3 PRO 3 HD1 PRO 3 12.957 -2.209 -7.297 30 H GLY 4 HN GLY 4 14.111 1.462 -7.242 31 HA2 GLY 4 HA1 GLY 4 14.049 4.200 -6.018 32 HA3 GLY 4 HA2 GLY 4 15.650 3.750 -6.648 33 H PHE 5 HN PHE 5 12.253 4.145 -7.521 34 HA PHE 5 HA PHE 5 12.363 3.521 -10.311 35 HB2 PHE 5 HB2 PHE 5 10.218 4.605 -10.564 36 HB3 PHE 5 HB1 PHE 5 10.274 3.630 -9.132 37 HD1 PHE 5 HD1 PHE 5 9.955 7.097 -10.400 38 HD2 PHE 5 HD2 PHE 5 10.167 4.722 -6.812 39 HE1 PHE 5 HE1 PHE 5 9.386 9.045 -9.060 40 HE2 PHE 5 HE2 PHE 5 9.594 6.702 -5.511 41 HZ PHE 5 HZ PHE 5 9.181 8.853 -6.614 42 H SER 6 HN SER 6 12.412 4.750 -12.237 43 HA SER 6 HA SER 6 14.515 6.617 -12.550 44 HB2 SER 6 HB2 SER 6 13.756 6.938 -14.848 45 HB3 SER 6 HB1 SER 6 13.638 5.234 -14.379 46 HG SER 6 HG SER 6 11.422 5.613 -13.913 47 HA PRO 7 HA PRO 7 12.065 10.369 -11.160 48 HB2 PRO 7 HB1 PRO 7 14.464 11.730 -10.168 49 HB3 PRO 7 HB2 PRO 7 13.092 11.057 -9.261 50 HG2 PRO 7 HG1 PRO 7 15.650 9.940 -9.157 51 HG3 PRO 7 HG2 PRO 7 14.155 8.997 -8.929 52 HD2 PRO 7 HD1 PRO 7 15.775 9.287 -11.520 53 HD3 PRO 7 HD2 PRO 7 15.152 7.801 -10.751 54 H PHE 8 HN PHE 8 15.275 11.137 -12.658 55 HA PHE 8 HA PHE 8 13.863 12.645 -14.883 56 HB2 PHE 8 HB2 PHE 8 15.210 14.627 -14.709 57 HB3 PHE 8 HB1 PHE 8 14.319 14.357 -13.236 58 HD1 PHE 8 HD1 PHE 8 17.752 14.477 -14.722 59 HD2 PHE 8 HD2 PHE 8 15.542 13.769 -11.087 60 HE1 PHE 8 HE1 PHE 8 19.790 14.648 -13.413 61 HE2 PHE 8 HE2 PHE 8 17.600 13.948 -9.826 62 HZ PHE 8 HZ PHE 8 19.737 14.391 -10.968 63 H ARG 9 HN ARG 9 15.207 10.047 -14.880 64 HA ARG 9 HA ARG 9 17.320 10.525 -17.075 65 HB2 ARG 9 HB1 ARG 9 17.149 8.261 -14.992 66 HB3 ARG 9 HB2 ARG 9 18.188 8.182 -16.408 67 HG2 ARG 9 HG2 ARG 9 19.518 10.145 -15.670 68 HG3 ARG 9 HG1 ARG 9 18.476 10.362 -14.263 69 HD2 ARG 9 HD2 ARG 9 19.174 8.096 -13.380 70 HD3 ARG 9 HD1 ARG 9 20.236 7.879 -14.785 71 HE ARG 9 HE ARG 9 21.169 10.309 -13.818 72 HH11 ARG 9 1HH2 ARG 9 20.577 7.294 -11.940 73 HH12 ARG 9 2HH2 ARG 9 21.858 7.821 -10.736 74 HH21 ARG 9 1HH1 ARG 9 22.565 10.748 -12.385 75 HH22 ARG 9 2HH1 ARG 9 22.891 9.623 -10.972 76 1HH1 UVL 10 1HH1 UVL 1 28.127 3.105 -12.101 77 1HH2 UVL 10 1HH2 UVL 1 24.190 7.642 -13.675 78 H14 UVL 10 H14 UVL 1 23.400 6.103 -12.341 79 H16 UVL 10 H16 UVL 1 26.107 2.976 -11.250 80 HH1 UVL 10 HH1 UVL 1 27.235 7.023 -14.409 81 H5 UVL 10 H5 UVL 1 20.667 2.510 -14.026 82 H1 UVL 10 H1 UVL 1 21.234 2.760 -11.374 83 H2 UVL 10 H2 UVL 1 19.968 5.582 -11.492 84 H3 UVL 10 H3 UVL 1 18.784 2.862 -12.269 85 H4 UVL 10 H4 UVL 1 19.486 5.380 -13.933 86 H61 UVL 10 H61 UVL 1 22.276 3.327 -15.631 87 H62 UVL 10 H62 UVL 1 20.660 3.614 -16.287 88 2HH1 UVL 10 2HH1 UVL 1 23.155 9.416 -13.824 89 2HH2 UVL 10 2HH2 UVL 1 24.018 8.940 -19.953 90 H24 UVL 10 H24 UVL 1 23.111 7.213 -18.969 91 H26 UVL 10 H26 UVL 1 22.500 7.546 -14.746 92 HH2 UVL 10 HH2 UVL 1 24.370 11.376 -16.026 93 3HH1 UVL 10 3HH1 UVL 1 16.750 -0.600 -8.900 94 3HH2 UVL 10 3HH2 UVL 1 13.067 -0.607 -11.297 95 H34 UVL 10 H34 UVL 1 14.025 2.502 -12.665 96 H36 UVL 10 H36 UVL 1 17.602 2.506 -10.322 97 HH3 UVL 10 HH3 UVL 1 15.512 -1.291 -9.357 98 4HH1 UVL 10 4HH1 UVL 1 16.752 7.172 -5.321 99 4HH2 UVL 10 4HH2 UVL 1 19.267 1.548 -6.097 100 H44 UVL 10 H44 UVL 1 19.280 2.858 -7.842 101 H46 UVL 10 H46 UVL 1 17.543 6.734 -7.312 102 HH4 UVL 10 HH4 UVL 1 17.905 3.021 -3.612 103 5HH1 UVL 10 5HH1 UVL 1 13.522 5.996 -19.082 104 5HH2 UVL 10 5HH2 UVL 1 12.730 2.670 -16.320 105 H54 UVL 10 H54 UVL 1 16.039 2.987 -15.085 106 H56 UVL 10 H56 UVL 1 16.815 6.216 -17.766 107 HH5 UVL 10 HH5 UVL 1 12.273 3.579 -17.408 Start of MODEL 4 1 H1 ARG 1 HN1 ARG 1 5.177 -1.364 -5.189 2 H2 ARG 1 HN2 ARG 1 6.563 -2.094 -4.665 3 H3 ARG 1 HN3 ARG 1 6.202 -2.067 -6.277 4 HA ARG 1 HA ARG 1 6.400 0.330 -6.364 5 HB2 ARG 1 HB2 ARG 1 5.658 0.639 -3.962 6 HB3 ARG 1 HB1 ARG 1 7.206 0.025 -3.438 7 HG2 ARG 1 HG2 ARG 1 7.351 2.316 -3.104 8 HG3 ARG 1 HG1 ARG 1 8.335 2.051 -4.533 9 HD2 ARG 1 HD2 ARG 1 6.511 2.975 -5.996 10 HD3 ARG 1 HD1 ARG 1 5.444 3.145 -4.592 11 HE ARG 1 HE ARG 1 8.077 4.578 -4.349 12 HH11 ARG 1 1HH2 ARG 1 4.623 5.041 -5.264 13 HH12 ARG 1 2HH2 ARG 1 4.827 6.849 -5.021 14 HH21 ARG 1 1HH1 ARG 1 8.132 6.615 -4.123 15 HH22 ARG 1 2HH1 ARG 1 6.658 7.664 -4.427 16 HA PRO 2 HA PRO 2 10.500 -1.593 -7.623 17 HB2 PRO 2 HB1 PRO 2 11.079 1.228 -8.680 18 HB3 PRO 2 HB2 PRO 2 11.418 -0.349 -9.428 19 HG2 PRO 2 HG1 PRO 2 9.253 1.016 -10.264 20 HG3 PRO 2 HG2 PRO 2 9.079 -0.732 -9.934 21 HD2 PRO 2 HD1 PRO 2 8.312 1.607 -8.109 22 HD3 PRO 2 HD2 PRO 2 7.370 0.137 -8.493 23 HA PRO 3 HA PRO 3 13.407 -0.332 -4.329 24 HB2 PRO 3 HB1 PRO 3 16.011 -0.541 -5.136 25 HB3 PRO 3 HB2 PRO 3 14.909 -1.933 -4.983 26 HG2 PRO 3 HG1 PRO 3 15.653 -0.418 -7.524 27 HG3 PRO 3 HG2 PRO 3 15.612 -2.185 -7.277 28 HD2 PRO 3 HD1 PRO 3 13.527 -0.700 -8.420 29 HD3 PRO 3 HD2 PRO 3 13.244 -2.237 -7.562 30 H GLY 4 HN GLY 4 14.316 1.542 -7.185 31 HA2 GLY 4 HA1 GLY 4 14.079 4.160 -5.678 32 HA3 GLY 4 HA2 GLY 4 15.687 3.812 -6.362 33 H PHE 5 HN PHE 5 12.299 4.312 -7.138 34 HA PHE 5 HA PHE 5 12.273 3.750 -9.918 35 HB2 PHE 5 HB2 PHE 5 10.176 4.864 -10.078 36 HB3 PHE 5 HB1 PHE 5 10.250 3.966 -8.590 37 HD1 PHE 5 HD1 PHE 5 9.976 7.371 -10.056 38 HD2 PHE 5 HD2 PHE 5 10.345 5.213 -6.342 39 HE1 PHE 5 HE1 PHE 5 9.438 9.384 -8.809 40 HE2 PHE 5 HE2 PHE 5 9.805 7.257 -5.139 41 HZ PHE 5 HZ PHE 5 9.339 9.341 -6.350 42 H SER 6 HN SER 6 12.254 4.973 -11.834 43 HA SER 6 HA SER 6 14.477 6.750 -12.196 44 HB2 SER 6 HB2 SER 6 13.671 5.263 -13.950 45 HB3 SER 6 HB1 SER 6 12.142 6.152 -14.074 46 HG SER 6 HG SER 6 13.373 7.999 -14.630 47 HA PRO 7 HA PRO 7 12.017 10.633 -11.201 48 HB2 PRO 7 HB2 PRO 7 14.421 12.031 -10.234 49 HB3 PRO 7 HB1 PRO 7 13.010 11.452 -9.324 50 HG2 PRO 7 HG1 PRO 7 15.542 10.321 -9.044 51 HG3 PRO 7 HG2 PRO 7 14.032 9.406 -8.801 52 HD2 PRO 7 HD2 PRO 7 15.716 9.536 -11.370 53 HD3 PRO 7 HD1 PRO 7 15.132 8.085 -10.511 54 H PHE 8 HN PHE 8 15.200 10.784 -12.819 55 HA PHE 8 HA PHE 8 14.073 12.615 -15.007 56 HB2 PHE 8 HB2 PHE 8 16.854 12.976 -13.677 57 HB3 PHE 8 HB1 PHE 8 16.247 13.928 -15.004 58 HD1 PHE 8 HD1 PHE 8 16.048 13.354 -11.369 59 HD2 PHE 8 HD2 PHE 8 14.510 15.653 -14.651 60 HE1 PHE 8 HE1 PHE 8 15.111 15.001 -9.795 61 HE2 PHE 8 HE2 PHE 8 13.579 17.292 -13.049 62 HZ PHE 8 HZ PHE 8 13.883 16.962 -10.631 63 H ARG 9 HN ARG 9 16.328 10.037 -14.156 64 HA ARG 9 HA ARG 9 17.851 10.214 -16.681 65 HB2 ARG 9 HB2 ARG 9 17.942 8.080 -14.481 66 HB3 ARG 9 HB1 ARG 9 19.037 8.105 -15.859 67 HG2 ARG 9 HG2 ARG 9 19.996 10.315 -15.134 68 HG3 ARG 9 HG1 ARG 9 18.880 10.359 -13.777 69 HD2 ARG 9 HD1 ARG 9 19.928 8.249 -12.824 70 HD3 ARG 9 HD2 ARG 9 21.063 8.220 -14.180 71 HE ARG 9 HE ARG 9 22.129 10.298 -13.339 72 HH11 ARG 9 1HH2 ARG 9 19.673 9.121 -10.983 73 HH12 ARG 9 2HH2 ARG 9 20.448 10.167 -9.690 74 HH21 ARG 9 1HH1 ARG 9 22.871 11.406 -11.784 75 HH22 ARG 9 2HH1 ARG 9 22.116 11.358 -10.113 76 1HH1 UVL 10 1HH1 UVL 1 27.877 4.788 -8.884 77 1HH2 UVL 10 1HH2 UVL 1 22.501 2.495 -6.783 78 H14 UVL 10 H14 UVL 1 22.352 4.139 -8.214 79 H16 UVL 10 H16 UVL 1 26.045 5.726 -9.667 80 HH1 UVL 10 HH1 UVL 1 27.135 2.453 -6.834 81 H5 UVL 10 H5 UVL 1 21.451 3.436 -12.964 82 H1 UVL 10 H1 UVL 1 21.538 4.139 -10.418 83 H2 UVL 10 H2 UVL 1 19.458 6.372 -11.017 84 H3 UVL 10 H3 UVL 1 19.401 3.354 -11.619 85 H4 UVL 10 H4 UVL 1 19.574 5.847 -13.432 86 H61 UVL 10 H61 UVL 1 21.475 4.325 -15.414 87 H62 UVL 10 H62 UVL 1 22.992 4.238 -14.520 88 2HH1 UVL 10 2HH1 UVL 1 25.079 9.520 -19.031 89 2HH2 UVL 10 2HH2 UVL 1 24.079 10.091 -12.930 90 H24 UVL 10 H24 UVL 1 23.308 8.280 -13.866 91 H26 UVL 10 H26 UVL 1 23.992 7.884 -18.072 92 HH2 UVL 10 HH2 UVL 1 25.531 11.931 -15.099 93 3HH1 UVL 10 3HH1 UVL 1 13.785 0.124 -9.940 94 3HH2 UVL 10 3HH2 UVL 1 14.184 3.656 -15.025 95 H34 UVL 10 H34 UVL 1 15.694 4.030 -13.463 96 H36 UVL 10 H36 UVL 1 15.381 1.610 -9.949 97 HH3 UVL 10 HH3 UVL 1 12.216 1.324 -14.131 98 4HH1 UVL 10 4HH1 UVL 1 18.694 1.989 -5.856 99 4HH2 UVL 10 4HH2 UVL 1 17.272 7.843 -4.351 100 H44 UVL 10 H44 UVL 1 17.923 7.506 -6.412 101 H46 UVL 10 H46 UVL 1 18.895 3.469 -7.447 102 HH4 UVL 10 HH4 UVL 1 17.691 3.384 -3.163 103 5HH1 UVL 10 5HH1 UVL 1 15.533 1.127 -15.449 104 5HH2 UVL 10 5HH2 UVL 1 16.199 5.845 -19.434 105 H54 UVL 10 H54 UVL 1 17.605 5.802 -17.733 106 H56 UVL 10 H56 UVL 1 17.133 2.568 -14.986 107 HH5 UVL 10 HH5 UVL 1 14.010 1.975 -18.124 Start of MODEL 5 1 H1 ARG 1 HN1 ARG 1 6.604 -1.631 -4.391 2 H2 ARG 1 HN2 ARG 1 6.262 -2.059 -5.949 3 H3 ARG 1 HN3 ARG 1 5.194 -1.134 -5.093 4 HA ARG 1 HA ARG 1 6.361 0.207 -6.696 5 HB2 ARG 1 HB1 ARG 1 5.637 1.091 -4.345 6 HB3 ARG 1 HB2 ARG 1 7.306 0.869 -3.838 7 HG2 ARG 1 HG1 ARG 1 7.994 2.543 -5.679 8 HG3 ARG 1 HG2 ARG 1 6.294 2.724 -6.077 9 HD2 ARG 1 HD1 ARG 1 6.762 4.612 -4.759 10 HD3 ARG 1 HD2 ARG 1 5.903 3.566 -3.635 11 HE ARG 1 HE ARG 1 8.850 3.212 -3.437 12 HH11 ARG 1 1HH2 ARG 1 6.251 5.420 -2.276 13 HH12 ARG 1 2HH2 ARG 1 7.337 5.928 -0.887 14 HH21 ARG 1 2HH1 ARG 1 9.930 3.886 -1.832 15 HH22 ARG 1 1HH1 ARG 1 9.255 5.125 -0.660 16 HA PRO 2 HA PRO 2 10.596 -1.577 -7.531 17 HB2 PRO 2 HB1 PRO 2 11.181 1.215 -8.694 18 HB3 PRO 2 HB2 PRO 2 11.664 -0.376 -9.320 19 HG2 PRO 2 HG1 PRO 2 9.509 0.832 -10.398 20 HG3 PRO 2 HG2 PRO 2 9.377 -0.901 -9.986 21 HD2 PRO 2 HD2 PRO 2 8.348 1.497 -8.388 22 HD3 PRO 2 HD1 PRO 2 7.527 -0.054 -8.723 23 HA PRO 3 HA PRO 3 13.298 -0.234 -4.113 24 HB2 PRO 3 HB1 PRO 3 15.828 -0.486 -5.768 25 HB3 PRO 3 HB2 PRO 3 15.434 -1.199 -4.184 26 HG2 PRO 3 HG2 PRO 3 15.320 -2.755 -6.405 27 HG3 PRO 3 HG1 PRO 3 14.006 -2.870 -5.199 28 HD2 PRO 3 HD1 PRO 3 13.986 -1.227 -7.805 29 HD3 PRO 3 HD2 PRO 3 12.758 -2.391 -7.225 30 H GLY 4 HN GLY 4 14.194 1.462 -7.066 31 HA2 GLY 4 HA1 GLY 4 14.102 4.157 -5.701 32 HA3 GLY 4 HA2 GLY 4 15.684 3.715 -6.400 33 H PHE 5 HN PHE 5 12.353 4.444 -7.126 34 HA PHE 5 HA PHE 5 12.250 3.656 -9.905 35 HB2 PHE 5 HB1 PHE 5 10.151 4.745 -10.046 36 HB3 PHE 5 HB2 PHE 5 10.257 3.923 -8.517 37 HD1 PHE 5 HD1 PHE 5 10.390 5.283 -6.344 38 HD2 PHE 5 HD2 PHE 5 10.013 7.262 -10.154 39 HE1 PHE 5 HE1 PHE 5 9.897 7.393 -5.235 40 HE2 PHE 5 HE2 PHE 5 9.524 9.344 -9.001 41 HZ PHE 5 HZ PHE 5 9.450 9.422 -6.543 42 H SER 6 HN SER 6 12.005 4.954 -11.844 43 HA SER 6 HA SER 6 14.295 6.564 -12.469 44 HB2 SER 6 HB1 SER 6 11.688 6.261 -14.012 45 HB3 SER 6 HB2 SER 6 13.162 7.011 -14.648 46 HG SER 6 HG SER 6 12.946 4.382 -13.593 47 HA PRO 7 HA PRO 7 12.412 10.577 -10.955 48 HB2 PRO 7 HB1 PRO 7 14.589 12.008 -10.188 49 HB3 PRO 7 HB2 PRO 7 13.989 10.601 -9.271 50 HG2 PRO 7 HG2 PRO 7 16.334 10.709 -11.214 51 HG3 PRO 7 HG1 PRO 7 16.269 9.926 -9.610 52 HD2 PRO 7 HD1 PRO 7 15.840 8.596 -12.078 53 HD3 PRO 7 HD2 PRO 7 15.235 8.006 -10.522 54 H PHE 8 HN PHE 8 15.314 10.985 -13.050 55 HA PHE 8 HA PHE 8 13.710 12.516 -15.107 56 HB2 PHE 8 HB2 PHE 8 15.150 14.458 -15.156 57 HB3 PHE 8 HB1 PHE 8 14.478 14.260 -13.554 58 HD1 PHE 8 HD1 PHE 8 15.955 13.356 -11.685 59 HD2 PHE 8 HD2 PHE 8 17.634 14.074 -15.561 60 HE1 PHE 8 HE1 PHE 8 18.196 13.375 -10.704 61 HE2 PHE 8 HE2 PHE 8 19.870 14.058 -14.567 62 HZ PHE 8 HZ PHE 8 20.169 13.729 -12.151 63 H ARG 9 HN ARG 9 14.971 9.908 -15.192 64 HA ARG 9 HA ARG 9 16.827 8.722 -16.337 65 HB2 ARG 9 HB2 ARG 9 15.667 8.170 -18.502 66 HB3 ARG 9 HB1 ARG 9 14.625 8.148 -17.112 67 HG2 ARG 9 HG2 ARG 9 13.584 10.313 -17.690 68 HG3 ARG 9 HG1 ARG 9 14.701 10.586 -18.989 69 HD2 ARG 9 HD2 ARG 9 13.752 8.527 -20.220 70 HD3 ARG 9 HD1 ARG 9 12.626 8.264 -18.880 71 HE ARG 9 HE ARG 9 12.570 10.625 -20.817 72 HH11 ARG 9 2HH1 ARG 9 10.779 8.877 -18.227 73 HH12 ARG 9 1HH1 ARG 9 9.287 9.869 -18.623 74 HH21 ARG 9 2HH2 ARG 9 10.821 11.644 -21.131 75 HH22 ARG 9 1HH2 ARG 9 9.314 11.311 -20.139 76 1HH1 UVL 10 1HH1 UVL 1 23.927 12.206 -12.668 77 1HH2 UVL 10 1HH2 UVL 1 22.746 7.838 -8.414 78 H14 UVL 10 H14 UVL 1 21.165 8.210 -9.876 79 H16 UVL 10 H16 UVL 1 21.971 11.206 -12.815 80 HH1 UVL 10 HH1 UVL 1 25.242 9.753 -8.962 81 H5 UVL 10 H5 UVL 1 20.465 5.321 -13.690 82 H1 UVL 10 H1 UVL 1 20.341 6.812 -11.561 83 H2 UVL 10 H2 UVL 1 17.284 6.553 -11.708 84 H3 UVL 10 H3 UVL 1 19.421 4.387 -11.720 85 H4 UVL 10 H4 UVL 1 17.445 5.302 -13.910 86 H61 UVL 10 H61 UVL 1 20.309 6.926 -15.754 87 H62 UVL 10 H62 UVL 1 20.386 5.189 -15.989 88 2HH1 UVL 10 2HH1 UVL 1 15.210 5.862 -22.302 89 2HH2 UVL 10 2HH2 UVL 1 13.149 4.751 -18.584 90 H24 UVL 10 H24 UVL 1 16.131 5.380 -16.807 91 H26 UVL 10 H26 UVL 1 18.142 6.468 -20.425 92 HH2 UVL 10 HH2 UVL 1 13.128 4.945 -20.062 93 3HH1 UVL 10 3HH1 UVL 1 17.307 -0.917 -11.161 94 3HH2 UVL 10 3HH2 UVL 1 11.758 1.826 -11.726 95 H34 UVL 10 H34 UVL 1 13.530 3.182 -11.700 96 H36 UVL 10 H36 UVL 1 17.327 1.291 -11.305 97 HH3 UVL 10 HH3 UVL 1 14.312 -2.019 -11.305 98 4HH1 UVL 10 4HH1 UVL 1 16.088 6.873 -4.319 99 4HH2 UVL 10 4HH2 UVL 1 21.196 4.791 -4.710 100 H44 UVL 10 H44 UVL 1 20.735 5.037 -6.833 101 H46 UVL 10 H46 UVL 1 16.875 6.647 -7.750 102 HH4 UVL 10 HH4 UVL 1 18.724 5.736 -2.921 103 5HH1 UVL 10 5HH1 UVL 1 19.747 2.622 -19.994 104 5HH2 UVL 10 5HH2 UVL 1 14.531 1.655 -18.425 105 H54 UVL 10 H54 UVL 1 15.398 2.252 -16.489 106 H56 UVL 10 H56 UVL 1 19.552 3.231 -16.509 107 HH5 UVL 10 HH5 UVL 1 18.524 2.178 -20.720 Start of MODEL 6 1 H1 ARG 1 HN1 ARG 1 5.381 -1.507 -4.964 2 H2 ARG 1 HN2 ARG 1 6.467 -2.331 -5.897 3 H3 ARG 1 HN3 ARG 1 6.849 -1.936 -4.339 4 HA ARG 1 HA ARG 1 6.387 -0.038 -6.560 5 HB2 ARG 1 HB1 ARG 1 5.738 0.703 -4.125 6 HB3 ARG 1 HB2 ARG 1 7.449 0.591 -3.734 7 HG2 ARG 1 HG1 ARG 1 7.904 2.359 -5.507 8 HG3 ARG 1 HG2 ARG 1 6.187 2.453 -5.864 9 HD2 ARG 1 HD1 ARG 1 7.359 3.089 -3.069 10 HD3 ARG 1 HD2 ARG 1 7.227 4.275 -4.354 11 HE ARG 1 HE ARG 1 4.903 3.076 -2.839 12 HH11 ARG 1 1HH2 ARG 1 5.815 5.385 -5.446 13 HH12 ARG 1 2HH2 ARG 1 4.136 6.119 -5.351 14 HH21 ARG 1 2HH1 ARG 1 3.078 4.005 -2.860 15 HH22 ARG 1 1HH1 ARG 1 2.711 5.395 -4.000 16 HA PRO 2 HA PRO 2 10.663 -1.505 -7.645 17 HB2 PRO 2 HB2 PRO 2 11.067 1.340 -8.746 18 HB3 PRO 2 HB1 PRO 2 11.569 -0.215 -9.448 19 HG2 PRO 2 HG2 PRO 2 9.316 0.946 -10.364 20 HG3 PRO 2 HG1 PRO 2 9.278 -0.804 -10.010 21 HD2 PRO 2 HD1 PRO 2 8.250 1.491 -8.263 22 HD3 PRO 2 HD2 PRO 2 7.462 -0.072 -8.624 23 HA PRO 3 HA PRO 3 13.291 0.249 -4.302 24 HB2 PRO 3 HB2 PRO 3 15.842 -0.856 -5.378 25 HB3 PRO 3 HB1 PRO 3 14.916 -1.334 -3.941 26 HG2 PRO 3 HG1 PRO 3 15.050 -2.952 -6.160 27 HG3 PRO 3 HG2 PRO 3 13.558 -2.837 -5.187 28 HD2 PRO 3 HD2 PRO 3 14.197 -1.261 -7.759 29 HD3 PRO 3 HD1 PRO 3 12.754 -2.262 -7.415 30 H GLY 4 HN GLY 4 12.785 2.340 -5.158 31 HA2 GLY 4 HA1 GLY 4 13.582 4.647 -5.362 32 HA3 GLY 4 HA2 GLY 4 15.179 4.061 -5.842 33 H PHE 5 HN PHE 5 11.901 4.635 -6.961 34 HA PHE 5 HA PHE 5 12.157 3.720 -9.684 35 HB2 PHE 5 HB1 PHE 5 10.065 4.751 -10.146 36 HB3 PHE 5 HB2 PHE 5 9.998 4.007 -8.575 37 HD1 PHE 5 HD1 PHE 5 9.827 5.474 -6.474 38 HD2 PHE 5 HD2 PHE 5 9.900 7.258 -10.397 39 HE1 PHE 5 HE1 PHE 5 9.152 7.619 -5.546 40 HE2 PHE 5 HE2 PHE 5 9.225 9.378 -9.423 41 HZ PHE 5 HZ PHE 5 8.835 9.571 -7.001 42 H SER 6 HN SER 6 12.236 4.854 -11.706 43 HA SER 6 HA SER 6 14.493 6.598 -12.004 44 HB2 SER 6 HB2 SER 6 13.941 6.689 -14.384 45 HB3 SER 6 HB1 SER 6 13.732 5.044 -13.764 46 HG SER 6 HG SER 6 11.693 6.999 -14.092 47 HA PRO 7 HA PRO 7 12.027 10.514 -11.236 48 HB2 PRO 7 HB1 PRO 7 14.445 11.934 -10.306 49 HB3 PRO 7 HB2 PRO 7 12.980 11.483 -9.404 50 HG2 PRO 7 HG2 PRO 7 15.427 10.262 -8.933 51 HG3 PRO 7 HG1 PRO 7 13.881 9.391 -8.763 52 HD2 PRO 7 HD2 PRO 7 15.725 9.398 -11.224 53 HD3 PRO 7 HD1 PRO 7 15.061 7.995 -10.347 54 H PHE 8 HN PHE 8 15.300 10.924 -12.704 55 HA PHE 8 HA PHE 8 14.060 12.351 -15.081 56 HB2 PHE 8 HB2 PHE 8 15.674 14.141 -15.100 57 HB3 PHE 8 HB1 PHE 8 14.720 14.156 -13.644 58 HD1 PHE 8 HD2 PHE 8 15.795 13.629 -11.393 59 HD2 PHE 8 HD1 PHE 8 18.178 13.742 -14.984 60 HE1 PHE 8 HE2 PHE 8 17.822 13.719 -10.071 61 HE2 PHE 8 HE1 PHE 8 20.182 13.831 -13.615 62 HZ PHE 8 HZ PHE 8 20.027 13.824 -11.162 63 H ARG 9 HN ARG 9 16.213 9.909 -14.180 64 HA ARG 9 HA ARG 9 18.024 10.074 -16.589 65 HB2 ARG 9 HB2 ARG 9 17.692 7.898 -14.444 66 HB3 ARG 9 HB1 ARG 9 18.837 7.762 -15.773 67 HG2 ARG 9 HG2 ARG 9 20.125 9.743 -14.989 68 HG3 ARG 9 HG1 ARG 9 18.976 9.996 -13.676 69 HD2 ARG 9 HD2 ARG 9 19.596 7.714 -12.714 70 HD3 ARG 9 HD1 ARG 9 20.788 7.517 -14.012 71 HE ARG 9 HE ARG 9 21.603 9.950 -12.965 72 HH11 ARG 9 2HH2 ARG 9 20.820 6.954 -11.126 73 HH12 ARG 9 1HH2 ARG 9 21.942 7.512 -9.785 74 HH21 ARG 9 1HH1 ARG 9 22.814 10.425 -11.379 75 HH22 ARG 9 2HH1 ARG 9 22.979 9.322 -9.922 76 1HH1 UVL 10 1HH1 UVL 1 26.386 6.664 -12.329 77 1HH2 UVL 10 1HH2 UVL 1 27.852 2.267 -9.312 78 H14 UVL 10 H14 UVL 1 25.719 2.373 -8.801 79 H16 UVL 10 H16 UVL 1 23.498 5.534 -10.637 80 HH1 UVL 10 HH1 UVL 1 27.676 5.949 -12.121 81 H5 UVL 10 H5 UVL 1 20.769 2.013 -12.411 82 H1 UVL 10 H1 UVL 1 20.914 2.498 -9.739 83 H2 UVL 10 H2 UVL 1 19.975 5.386 -10.326 84 H3 UVL 10 H3 UVL 1 18.659 2.714 -11.067 85 H4 UVL 10 H4 UVL 1 19.897 4.967 -12.793 86 H61 UVL 10 H61 UVL 1 21.256 2.836 -14.725 87 H62 UVL 10 H62 UVL 1 22.708 2.515 -13.769 88 2HH1 UVL 10 2HH1 UVL 1 23.561 8.835 -12.635 89 2HH2 UVL 10 2HH2 UVL 1 26.044 9.025 -17.570 90 H24 UVL 10 H24 UVL 1 24.495 5.863 -17.286 91 H26 UVL 10 H26 UVL 1 23.027 6.853 -13.389 92 HH2 UVL 10 HH2 UVL 1 25.308 10.409 -14.787 93 3HH1 UVL 10 3HH1 UVL 1 16.790 0.683 -8.344 94 3HH2 UVL 10 3HH2 UVL 1 12.525 -0.089 -11.778 95 H34 UVL 10 H34 UVL 1 14.112 2.915 -12.717 96 H36 UVL 10 H36 UVL 1 16.992 2.456 -9.586 97 HH3 UVL 10 HH3 UVL 1 14.331 -1.101 -9.353 98 4HH1 UVL 10 4HH1 UVL 1 17.803 3.048 -3.088 99 4HH2 UVL 10 4HH2 UVL 1 15.902 7.870 -5.016 100 H44 UVL 10 H44 UVL 1 16.884 7.115 -6.817 101 H46 UVL 10 H46 UVL 1 18.773 3.290 -6.473 102 HH4 UVL 10 HH4 UVL 1 16.226 5.785 -2.617 103 5HH1 UVL 10 5HH1 UVL 1 16.554 6.201 -18.688 104 5HH2 UVL 10 5HH2 UVL 1 14.434 1.980 -14.655 105 H54 UVL 10 H54 UVL 1 16.470 2.726 -14.294 106 H56 UVL 10 H56 UVL 1 17.932 5.628 -17.064 107 HH5 UVL 10 HH5 UVL 1 13.181 3.370 -17.243 Start of MODEL 7 1 H1 ARG 1 HN1 ARG 1 5.156 -0.705 -5.410 2 H2 ARG 1 HN2 ARG 1 6.547 -1.025 -4.578 3 H3 ARG 1 HN3 ARG 1 6.238 -1.805 -6.001 4 HA ARG 1 HA ARG 1 6.391 0.231 -7.267 5 HB2 ARG 1 HB1 ARG 1 7.029 1.465 -4.517 6 HB3 ARG 1 HB2 ARG 1 7.484 2.261 -6.019 7 HG2 ARG 1 HG1 ARG 1 5.072 2.380 -6.733 8 HG3 ARG 1 HG2 ARG 1 4.588 1.625 -5.215 9 HD2 ARG 1 HD1 ARG 1 5.582 3.581 -3.933 10 HD3 ARG 1 HD2 ARG 1 6.064 4.332 -5.460 11 HE ARG 1 HE ARG 1 3.196 3.925 -4.502 12 HH11 ARG 1 1HH1 ARG 1 5.298 5.510 -6.959 13 HH12 ARG 1 2HH1 ARG 1 3.864 6.519 -7.500 14 HH21 ARG 1 2HH2 ARG 1 1.702 5.126 -5.224 15 HH22 ARG 1 1HH2 ARG 1 1.990 6.315 -6.592 16 HA PRO 2 HA PRO 2 10.652 -1.399 -7.860 17 HB2 PRO 2 HB2 PRO 2 11.313 1.431 -8.898 18 HB3 PRO 2 HB1 PRO 2 11.856 -0.137 -9.534 19 HG2 PRO 2 HG1 PRO 2 9.769 1.081 -10.726 20 HG3 PRO 2 HG2 PRO 2 9.624 -0.663 -10.371 21 HD2 PRO 2 HD1 PRO 2 8.449 1.683 -8.804 22 HD3 PRO 2 HD2 PRO 2 7.689 0.118 -9.206 23 HA PRO 3 HA PRO 3 13.086 0.184 -4.287 24 HB2 PRO 3 HB1 PRO 3 15.550 -0.964 -4.479 25 HB3 PRO 3 HB2 PRO 3 14.053 -1.889 -4.219 26 HG2 PRO 3 HG1 PRO 3 15.603 -1.545 -6.813 27 HG3 PRO 3 HG2 PRO 3 14.875 -3.034 -6.151 28 HD2 PRO 3 HD1 PRO 3 13.674 -1.330 -8.079 29 HD3 PRO 3 HD2 PRO 3 12.752 -2.458 -7.050 30 H GLY 4 HN GLY 4 12.712 2.287 -5.174 31 HA2 GLY 4 HA1 GLY 4 13.630 4.574 -5.235 32 HA3 GLY 4 HA2 GLY 4 15.215 3.937 -5.704 33 H PHE 5 HN PHE 5 11.977 4.673 -6.851 34 HA PHE 5 HA PHE 5 12.224 3.729 -9.580 35 HB2 PHE 5 HB1 PHE 5 10.141 4.775 -10.034 36 HB3 PHE 5 HB2 PHE 5 10.066 4.035 -8.463 37 HD1 PHE 5 HD1 PHE 5 9.907 5.502 -6.368 38 HD2 PHE 5 HD2 PHE 5 10.002 7.279 -10.292 39 HE1 PHE 5 HE1 PHE 5 9.241 7.653 -5.443 40 HE2 PHE 5 HE2 PHE 5 9.336 9.407 -9.322 41 HZ PHE 5 HZ PHE 5 8.941 9.605 -6.902 42 H SER 6 HN SER 6 12.217 4.930 -11.599 43 HA SER 6 HA SER 6 14.554 6.589 -11.907 44 HB2 SER 6 HB1 SER 6 13.963 6.740 -14.280 45 HB3 SER 6 HB2 SER 6 13.718 5.089 -13.693 46 HG SER 6 HG SER 6 11.505 5.616 -13.403 47 HA PRO 7 HA PRO 7 12.194 10.581 -11.122 48 HB2 PRO 7 HB2 PRO 7 14.169 12.296 -10.332 49 HB3 PRO 7 HB1 PRO 7 13.511 11.002 -9.294 50 HG2 PRO 7 HG1 PRO 7 16.112 10.995 -10.878 51 HG3 PRO 7 HG2 PRO 7 15.829 10.419 -9.213 52 HD2 PRO 7 HD1 PRO 7 15.871 8.763 -11.490 53 HD3 PRO 7 HD2 PRO 7 15.022 8.354 -9.982 54 H PHE 8 HN PHE 8 15.274 11.006 -12.949 55 HA PHE 8 HA PHE 8 13.775 12.195 -15.307 56 HB2 PHE 8 HB1 PHE 8 15.167 14.186 -15.441 57 HB3 PHE 8 HB2 PHE 8 14.340 14.132 -13.903 58 HD1 PHE 8 HD1 PHE 8 17.691 13.747 -15.551 59 HD2 PHE 8 HD2 PHE 8 15.650 13.527 -11.802 60 HE1 PHE 8 HE1 PHE 8 19.815 14.002 -14.355 61 HE2 PHE 8 HE2 PHE 8 17.773 13.788 -10.619 62 HZ PHE 8 HZ PHE 8 19.872 14.037 -11.899 63 H ARG 9 HN ARG 9 15.863 9.881 -14.557 64 HA ARG 9 HA ARG 9 18.007 9.098 -15.552 65 HB2 ARG 9 HB2 ARG 9 17.097 7.429 -17.189 66 HB3 ARG 9 HB1 ARG 9 16.227 7.545 -15.682 67 HG2 ARG 9 HG1 ARG 9 14.368 8.753 -16.637 68 HG3 ARG 9 HG2 ARG 9 15.176 8.990 -18.162 69 HD2 ARG 9 HD2 ARG 9 15.114 6.440 -18.570 70 HD3 ARG 9 HD1 ARG 9 14.295 6.231 -17.010 71 HE ARG 9 HE ARG 9 12.718 8.146 -18.463 72 HH11 ARG 9 2HH1 ARG 9 13.538 4.678 -18.991 73 HH12 ARG 9 1HH1 ARG 9 11.970 4.474 -19.921 74 HH21 ARG 9 2HH2 ARG 9 11.013 7.747 -19.525 75 HH22 ARG 9 1HH2 ARG 9 10.657 6.077 -20.197 76 1HH1 UVL 10 1HH1 UVL 1 21.200 12.353 -13.686 77 1HH2 UVL 10 1HH2 UVL 1 24.889 12.715 -11.325 78 H14 UVL 10 H14 UVL 1 23.576 10.355 -9.035 79 H16 UVL 10 H16 UVL 1 19.975 10.037 -11.324 80 HH1 UVL 10 HH1 UVL 1 22.540 12.968 -13.475 81 H5 UVL 10 H5 UVL 1 20.675 5.743 -12.300 82 H1 UVL 10 H1 UVL 1 20.549 6.583 -9.564 83 H2 UVL 10 H2 UVL 1 17.605 7.396 -10.168 84 H3 UVL 10 H3 UVL 1 19.058 4.736 -10.624 85 H4 UVL 10 H4 UVL 1 17.791 6.786 -12.576 86 H61 UVL 10 H61 UVL 1 21.282 7.623 -13.852 87 H62 UVL 10 H62 UVL 1 19.577 8.083 -13.981 88 2HH1 UVL 10 2HH1 UVL 1 20.088 6.472 -21.040 89 2HH2 UVL 10 2HH2 UVL 1 18.541 1.804 -18.511 90 H24 UVL 10 H24 UVL 1 19.350 4.148 -16.000 91 H26 UVL 10 H26 UVL 1 20.313 7.090 -18.956 92 HH2 UVL 10 HH2 UVL 1 18.665 2.201 -19.941 93 3HH1 UVL 10 3HH1 UVL 1 13.750 -1.122 -10.761 94 3HH2 UVL 10 3HH2 UVL 1 13.358 3.655 -13.513 95 H34 UVL 10 H34 UVL 1 15.037 4.135 -12.178 96 H36 UVL 10 H36 UVL 1 16.236 1.052 -9.476 97 HH3 UVL 10 HH3 UVL 1 12.846 -0.632 -11.836 98 4HH1 UVL 10 4HH1 UVL 1 18.565 3.148 -4.973 99 4HH2 UVL 10 4HH2 UVL 1 15.633 6.917 -2.183 100 H44 UVL 10 H44 UVL 1 16.088 8.144 -5.470 101 H46 UVL 10 H46 UVL 1 18.300 4.643 -6.544 102 HH4 UVL 10 HH4 UVL 1 17.152 4.109 -2.275 103 5HH1 UVL 10 5HH1 UVL 1 19.079 0.374 -14.280 104 5HH2 UVL 10 5HH2 UVL 1 13.741 2.566 -16.584 105 H54 UVL 10 H54 UVL 1 14.967 4.001 -15.428 106 H56 UVL 10 H56 UVL 1 18.632 2.491 -13.847 107 HH5 UVL 10 HH5 UVL 1 16.737 -0.925 -16.021 Start of MODEL 8 1 H1 ARG 1 HN1 ARG 1 6.753 -3.084 -7.004 2 H2 ARG 1 HN2 ARG 1 7.038 -3.078 -5.377 3 H3 ARG 1 HN3 ARG 1 5.552 -2.650 -5.957 4 HA ARG 1 HA ARG 1 6.439 -0.715 -7.057 5 HB2 ARG 1 HB1 ARG 1 5.688 -0.757 -4.512 6 HB3 ARG 1 HB2 ARG 1 7.384 -0.659 -4.110 7 HG2 ARG 1 HG1 ARG 1 5.847 1.406 -5.828 8 HG3 ARG 1 HG2 ARG 1 5.910 1.446 -4.077 9 HD2 ARG 1 HD1 ARG 1 8.427 1.764 -4.159 10 HD3 ARG 1 HD2 ARG 1 8.353 1.784 -5.927 11 HE ARG 1 HE ARG 1 7.235 3.913 -4.069 12 HH11 ARG 1 2HH2 ARG 1 7.768 3.016 -7.514 13 HH12 ARG 1 1HH2 ARG 1 7.369 4.740 -8.001 14 HH21 ARG 1 2HH1 ARG 1 6.814 5.787 -4.775 15 HH22 ARG 1 1HH1 ARG 1 6.871 6.184 -6.566 16 HA PRO 2 HA PRO 2 10.892 -1.476 -8.052 17 HB2 PRO 2 HB1 PRO 2 11.109 1.481 -8.810 18 HB3 PRO 2 HB2 PRO 2 11.659 0.035 -9.688 19 HG2 PRO 2 HG1 PRO 2 9.366 1.257 -10.449 20 HG3 PRO 2 HG2 PRO 2 9.392 -0.526 -10.347 21 HD2 PRO 2 HD1 PRO 2 8.325 1.449 -8.246 22 HD3 PRO 2 HD2 PRO 2 7.527 -0.009 -8.906 23 HA PRO 3 HA PRO 3 13.032 0.192 -4.310 24 HB2 PRO 3 HB2 PRO 3 15.540 -0.857 -4.425 25 HB3 PRO 3 HB1 PRO 3 14.074 -1.840 -4.206 26 HG2 PRO 3 HG1 PRO 3 15.683 -1.441 -6.756 27 HG3 PRO 3 HG2 PRO 3 15.003 -2.958 -6.106 28 HD2 PRO 3 HD1 PRO 3 13.781 -1.319 -8.075 29 HD3 PRO 3 HD2 PRO 3 12.882 -2.479 -7.061 30 H GLY 4 HN GLY 4 12.595 2.281 -5.231 31 HA2 GLY 4 HA2 GLY 4 13.425 4.594 -5.266 32 HA3 GLY 4 HA1 GLY 4 15.055 4.018 -5.635 33 H PHE 5 HN PHE 5 11.885 4.659 -6.978 34 HA PHE 5 HA PHE 5 12.319 3.777 -9.702 35 HB2 PHE 5 HB2 PHE 5 10.240 4.764 -10.240 36 HB3 PHE 5 HB1 PHE 5 10.090 4.047 -8.664 37 HD1 PHE 5 HD1 PHE 5 9.982 7.233 -10.556 38 HD2 PHE 5 HD2 PHE 5 9.893 5.570 -6.582 39 HE1 PHE 5 HE1 PHE 5 9.268 9.374 -9.654 40 HE2 PHE 5 HE2 PHE 5 9.180 7.734 -5.726 41 HZ PHE 5 HZ PHE 5 8.850 9.636 -7.243 42 H SER 6 HN SER 6 12.282 5.110 -11.709 43 HA SER 6 HA SER 6 14.670 6.767 -11.846 44 HB2 SER 6 HB1 SER 6 12.523 6.267 -13.964 45 HB3 SER 6 HB2 SER 6 14.057 7.098 -14.268 46 HG SER 6 HG SER 6 14.160 4.888 -14.716 47 HA PRO 7 HA PRO 7 12.230 10.719 -11.037 48 HB2 PRO 7 HB2 PRO 7 14.202 12.458 -10.254 49 HB3 PRO 7 HB1 PRO 7 13.541 11.173 -9.203 50 HG2 PRO 7 HG1 PRO 7 16.126 11.117 -10.828 51 HG3 PRO 7 HG2 PRO 7 15.892 10.638 -9.123 52 HD2 PRO 7 HD2 PRO 7 15.895 8.808 -11.229 53 HD3 PRO 7 HD1 PRO 7 14.949 8.560 -9.745 54 H PHE 8 HN PHE 8 15.285 10.972 -12.854 55 HA PHE 8 HA PHE 8 13.866 12.272 -15.211 56 HB2 PHE 8 HB1 PHE 8 15.672 13.898 -15.567 57 HB3 PHE 8 HB2 PHE 8 14.771 14.156 -14.103 58 HD1 PHE 8 HD1 PHE 8 15.845 13.753 -11.825 59 HD2 PHE 8 HD2 PHE 8 18.147 13.342 -15.446 60 HE1 PHE 8 HE1 PHE 8 17.892 13.779 -10.544 61 HE2 PHE 8 HE2 PHE 8 20.181 13.367 -14.115 62 HZ PHE 8 HZ PHE 8 20.079 13.594 -11.670 63 H ARG 9 HN ARG 9 16.362 10.040 -14.211 64 HA ARG 9 HA ARG 9 16.973 9.364 -17.157 65 HB2 ARG 9 HB2 ARG 9 18.751 9.063 -14.652 66 HB3 ARG 9 HB1 ARG 9 19.098 8.242 -16.168 67 HG2 ARG 9 HG1 ARG 9 19.384 10.392 -17.381 68 HG3 ARG 9 HG2 ARG 9 18.980 11.301 -15.924 69 HD2 ARG 9 HD1 ARG 9 21.005 10.361 -14.752 70 HD3 ARG 9 HD2 ARG 9 21.422 9.442 -16.212 71 HE ARG 9 HE ARG 9 21.242 12.038 -17.227 72 HH11 ARG 9 1HH1 ARG 9 23.120 10.850 -14.391 73 HH12 ARG 9 2HH1 ARG 9 24.331 12.202 -14.659 74 HH21 ARG 9 2HH2 ARG 9 22.683 13.484 -17.385 75 HH22 ARG 9 1HH2 ARG 9 24.099 13.573 -16.221 76 1HH1 UVL 10 1HH1 UVL 1 26.987 9.100 -7.307 77 1HH2 UVL 10 1HH2 UVL 1 24.434 6.101 -5.356 78 H14 UVL 10 H14 UVL 1 21.755 7.112 -7.425 79 H16 UVL 10 H16 UVL 1 24.227 10.033 -9.330 80 HH1 UVL 10 HH1 UVL 1 26.806 8.023 -6.292 81 H5 UVL 10 H5 UVL 1 21.167 5.465 -11.982 82 H1 UVL 10 H1 UVL 1 20.976 6.456 -9.536 83 H2 UVL 10 H2 UVL 1 18.108 7.413 -10.200 84 H3 UVL 10 H3 UVL 1 19.421 4.640 -10.456 85 H4 UVL 10 H4 UVL 1 18.359 6.595 -12.596 86 H61 UVL 10 H61 UVL 1 20.969 5.868 -14.422 87 H62 UVL 10 H62 UVL 1 20.294 7.486 -14.147 88 2HH1 UVL 10 2HH1 UVL 1 27.076 10.485 -12.114 89 2HH2 UVL 10 2HH2 UVL 1 27.585 10.518 -16.479 90 H24 UVL 10 H24 UVL 1 24.632 8.599 -16.777 91 H26 UVL 10 H26 UVL 1 24.140 8.569 -12.526 92 HH2 UVL 10 HH2 UVL 1 28.059 10.912 -15.122 93 3HH1 UVL 10 3HH1 UVL 1 12.234 2.546 -12.732 94 3HH2 UVL 10 3HH2 UVL 1 15.363 -0.864 -9.723 95 H34 UVL 10 H34 UVL 1 16.585 0.966 -9.597 96 H36 UVL 10 H36 UVL 1 15.097 4.379 -11.673 97 HH3 UVL 10 HH3 UVL 1 12.753 -0.331 -11.492 98 4HH1 UVL 10 4HH1 UVL 1 18.988 5.170 -2.623 99 4HH2 UVL 10 4HH2 UVL 1 14.091 7.095 -4.323 100 H44 UVL 10 H44 UVL 1 15.152 7.048 -6.235 101 H46 UVL 10 H46 UVL 1 19.200 5.664 -6.113 102 HH4 UVL 10 HH4 UVL 1 15.995 6.071 -1.972 103 5HH1 UVL 10 5HH1 UVL 1 15.311 4.026 -18.159 104 5HH2 UVL 10 5HH2 UVL 1 14.890 0.223 -14.165 105 H54 UVL 10 H54 UVL 1 17.290 2.610 -13.114 106 H56 UVL 10 H56 UVL 1 16.770 4.834 -16.724 107 HH5 UVL 10 HH5 UVL 1 14.231 0.394 -15.489 Start of MODEL 9 1 H1 ARG 1 HN1 ARG 1 5.329 -2.123 -6.277 2 H2 ARG 1 HN2 ARG 1 6.746 -2.760 -5.716 3 H3 ARG 1 HN3 ARG 1 6.516 -2.561 -7.339 4 HA ARG 1 HA ARG 1 6.438 -0.167 -7.118 5 HB2 ARG 1 HB2 ARG 1 5.498 -0.316 -4.719 6 HB3 ARG 1 HB1 ARG 1 7.130 -0.670 -4.186 7 HG2 ARG 1 HG1 ARG 1 6.906 1.584 -3.673 8 HG3 ARG 1 HG2 ARG 1 7.830 1.627 -5.154 9 HD2 ARG 1 HD2 ARG 1 6.303 3.383 -5.421 10 HD3 ARG 1 HD1 ARG 1 5.580 2.104 -6.399 11 HE ARG 1 HE ARG 1 3.781 1.850 -4.739 12 HH11 ARG 1 1HH2 ARG 1 6.006 4.461 -3.649 13 HH12 ARG 1 2HH2 ARG 1 4.731 5.017 -2.451 14 HH21 ARG 1 1HH1 ARG 1 2.469 2.594 -3.352 15 HH22 ARG 1 2HH1 ARG 1 2.887 4.039 -2.301 16 HA PRO 2 HA PRO 2 10.819 -1.431 -8.101 17 HB2 PRO 2 HB2 PRO 2 11.214 1.516 -8.875 18 HB3 PRO 2 HB1 PRO 2 11.755 0.045 -9.716 19 HG2 PRO 2 HG2 PRO 2 9.540 1.315 -10.593 20 HG3 PRO 2 HG1 PRO 2 9.495 -0.465 -10.450 21 HD2 PRO 2 HD1 PRO 2 8.404 1.603 -8.460 22 HD3 PRO 2 HD2 PRO 2 7.603 0.132 -9.087 23 HA PRO 3 HA PRO 3 13.008 0.142 -4.335 24 HB2 PRO 3 HB2 PRO 3 15.642 -0.997 -5.196 25 HB3 PRO 3 HB1 PRO 3 14.610 -1.433 -3.816 26 HG2 PRO 3 HG1 PRO 3 14.848 -3.098 -5.978 27 HG3 PRO 3 HG2 PRO 3 13.277 -2.896 -5.153 28 HD2 PRO 3 HD1 PRO 3 14.220 -1.416 -7.690 29 HD3 PRO 3 HD2 PRO 3 12.716 -2.351 -7.445 30 H GLY 4 HN GLY 4 12.676 2.270 -5.085 31 HA2 GLY 4 HA2 GLY 4 13.564 4.556 -5.151 32 HA3 GLY 4 HA1 GLY 4 15.155 3.933 -5.609 33 H PHE 5 HN PHE 5 11.941 4.701 -6.792 34 HA PHE 5 HA PHE 5 12.216 3.822 -9.526 35 HB2 PHE 5 HB2 PHE 5 10.179 4.932 -10.007 36 HB3 PHE 5 HB1 PHE 5 10.055 4.155 -8.456 37 HD1 PHE 5 HD1 PHE 5 10.125 7.457 -10.203 38 HD2 PHE 5 HD2 PHE 5 9.834 5.572 -6.337 39 HE1 PHE 5 HE1 PHE 5 9.443 9.563 -9.203 40 HE2 PHE 5 HE2 PHE 5 9.154 7.703 -5.383 41 HZ PHE 5 HZ PHE 5 8.940 9.699 -6.798 42 H SER 6 HN SER 6 12.254 5.032 -11.522 43 HA SER 6 HA SER 6 14.629 6.669 -11.784 44 HB2 SER 6 HB2 SER 6 13.839 5.097 -13.537 45 HB3 SER 6 HB1 SER 6 12.408 6.103 -13.816 46 HG SER 6 HG SER 6 13.824 7.817 -14.349 47 HA PRO 7 HA PRO 7 12.206 10.655 -11.164 48 HB2 PRO 7 HB2 PRO 7 14.125 12.402 -10.334 49 HB3 PRO 7 HB1 PRO 7 13.460 11.105 -9.303 50 HG2 PRO 7 HG1 PRO 7 16.104 11.125 -10.812 51 HG3 PRO 7 HG2 PRO 7 15.790 10.573 -9.144 52 HD2 PRO 7 HD2 PRO 7 15.914 8.885 -11.398 53 HD3 PRO 7 HD1 PRO 7 15.037 8.476 -9.904 54 H PHE 8 HN PHE 8 15.333 11.031 -12.911 55 HA PHE 8 HA PHE 8 13.861 12.273 -15.274 56 HB2 PHE 8 HB1 PHE 8 15.511 14.080 -15.527 57 HB3 PHE 8 HB2 PHE 8 14.579 14.182 -14.065 58 HD1 PHE 8 HD1 PHE 8 15.672 13.864 -11.803 59 HD2 PHE 8 HD2 PHE 8 18.028 13.606 -15.405 60 HE1 PHE 8 HE1 PHE 8 17.704 14.013 -10.505 61 HE2 PHE 8 HE2 PHE 8 20.044 13.756 -14.057 62 HZ PHE 8 HZ PHE 8 19.907 13.967 -11.612 63 H ARG 9 HN ARG 9 16.587 10.237 -14.378 64 HA ARG 9 HA ARG 9 17.568 10.143 -17.272 65 HB2 ARG 9 HB1 ARG 9 18.715 8.927 -14.711 66 HB3 ARG 9 HB2 ARG 9 19.353 8.533 -16.283 67 HG2 ARG 9 HG1 ARG 9 19.316 11.410 -15.174 68 HG3 ARG 9 HG2 ARG 9 20.606 10.265 -14.848 69 HD2 ARG 9 HD2 ARG 9 21.162 10.116 -17.292 70 HD3 ARG 9 HD1 ARG 9 19.856 11.258 -17.662 71 HE ARG 9 HE ARG 9 21.777 12.321 -15.642 72 HH11 ARG 9 1HH1 ARG 9 21.235 12.162 -19.202 73 HH12 ARG 9 2HH1 ARG 9 22.313 13.633 -19.405 74 HH21 ARG 9 1HH2 ARG 9 22.948 13.950 -16.046 75 HH22 ARG 9 2HH2 ARG 9 23.204 14.561 -17.757 76 1HH1 UVL 10 1HH1 UVL 1 20.348 11.376 -12.573 77 1HH2 UVL 10 1HH2 UVL 1 25.752 11.092 -9.524 78 H14 UVL 10 H14 UVL 1 24.172 9.726 -8.834 79 H16 UVL 10 H16 UVL 1 20.453 9.937 -10.933 80 HH1 UVL 10 HH1 UVL 1 24.710 12.828 -11.995 81 H5 UVL 10 H5 UVL 1 21.052 5.385 -12.003 82 H1 UVL 10 H1 UVL 1 20.789 6.233 -9.347 83 H2 UVL 10 H2 UVL 1 18.028 7.402 -10.194 84 H3 UVL 10 H3 UVL 1 19.188 4.585 -10.574 85 H4 UVL 10 H4 UVL 1 18.415 6.865 -12.533 86 H61 UVL 10 H61 UVL 1 20.867 6.112 -14.414 87 H62 UVL 10 H62 UVL 1 20.472 7.760 -13.883 88 2HH1 UVL 10 2HH1 UVL 1 26.946 9.313 -16.948 89 2HH2 UVL 10 2HH2 UVL 1 26.445 7.319 -11.089 90 H24 UVL 10 H24 UVL 1 24.622 7.267 -12.283 91 H26 UVL 10 H26 UVL 1 24.962 8.640 -16.323 92 HH2 UVL 10 HH2 UVL 1 28.876 8.458 -12.824 93 3HH1 UVL 10 3HH1 UVL 1 14.649 -0.351 -9.053 94 3HH2 UVL 10 3HH2 UVL 1 13.093 1.755 -13.926 95 H34 UVL 10 H34 UVL 1 15.478 3.960 -12.527 96 H36 UVL 10 H36 UVL 1 15.867 1.477 -9.075 97 HH3 UVL 10 HH3 UVL 1 12.725 0.517 -13.179 98 4HH1 UVL 10 4HH1 UVL 1 17.742 3.495 -3.186 99 4HH2 UVL 10 4HH2 UVL 1 15.534 7.197 -2.327 100 H44 UVL 10 H44 UVL 1 16.162 8.269 -5.637 101 H46 UVL 10 H46 UVL 1 18.298 4.657 -6.474 102 HH4 UVL 10 HH4 UVL 1 16.059 5.874 -1.881 103 5HH1 UVL 10 5HH1 UVL 1 15.102 3.511 -18.974 104 5HH2 UVL 10 5HH2 UVL 1 20.063 2.242 -16.874 105 H54 UVL 10 H54 UVL 1 19.303 3.550 -15.260 106 H56 UVL 10 H56 UVL 1 15.399 5.171 -15.835 107 HH5 UVL 10 HH5 UVL 1 16.235 2.669 -19.452 Start of MODEL 10 1 H1 ARG 1 HN1 ARG 1 6.395 -2.446 -5.258 2 H2 ARG 1 HN2 ARG 1 6.630 -1.469 -3.947 3 H3 ARG 1 HN3 ARG 1 5.226 -1.367 -4.812 4 HA ARG 1 HA ARG 1 6.367 -0.592 -6.755 5 HB2 ARG 1 HB1 ARG 1 6.854 1.651 -6.143 6 HB3 ARG 1 HB2 ARG 1 5.421 1.082 -5.319 7 HG2 ARG 1 HG1 ARG 1 6.730 0.916 -3.145 8 HG3 ARG 1 HG2 ARG 1 8.162 1.471 -3.996 9 HD2 ARG 1 HD1 ARG 1 7.409 3.411 -2.919 10 HD3 ARG 1 HD2 ARG 1 6.865 3.668 -4.565 11 HE ARG 1 HE ARG 1 4.532 3.327 -3.843 12 HH11 ARG 1 1HH1 ARG 1 6.696 2.993 -0.985 13 HH12 ARG 1 2HH1 ARG 1 5.237 3.179 0.112 14 HH21 ARG 1 2HH2 ARG 1 3.012 3.518 -2.482 15 HH22 ARG 1 1HH2 ARG 1 3.317 3.453 -0.674 16 HA PRO 2 HA PRO 2 10.683 -1.643 -7.505 17 HB2 PRO 2 HB1 PRO 2 11.167 1.164 -8.647 18 HB3 PRO 2 HB2 PRO 2 11.650 -0.415 -9.304 19 HG2 PRO 2 HG1 PRO 2 9.464 0.794 -10.321 20 HG3 PRO 2 HG2 PRO 2 9.360 -0.948 -9.938 21 HD2 PRO 2 HD2 PRO 2 8.366 1.408 -8.242 22 HD3 PRO 2 HD1 PRO 2 7.512 -0.109 -8.646 23 HA PRO 3 HA PRO 3 13.255 -0.026 -4.094 24 HB2 PRO 3 HB2 PRO 3 15.901 -0.407 -4.682 25 HB3 PRO 3 HB1 PRO 3 14.744 -1.738 -4.429 26 HG2 PRO 3 HG2 PRO 3 15.701 -0.586 -7.087 27 HG3 PRO 3 HG1 PRO 3 15.593 -2.304 -6.616 28 HD2 PRO 3 HD2 PRO 3 13.623 -0.952 -8.081 29 HD3 PRO 3 HD1 PRO 3 13.241 -2.343 -7.032 30 H GLY 4 HN GLY 4 14.407 1.439 -7.102 31 HA2 GLY 4 HA2 GLY 4 14.319 4.233 -5.854 32 HA3 GLY 4 HA1 GLY 4 15.831 3.712 -6.633 33 H PHE 5 HN PHE 5 12.426 4.369 -7.170 34 HA PHE 5 HA PHE 5 12.219 3.644 -9.946 35 HB2 PHE 5 HB1 PHE 5 10.097 4.725 -9.991 36 HB3 PHE 5 HB2 PHE 5 10.277 3.872 -8.486 37 HD1 PHE 5 HD1 PHE 5 10.470 5.179 -6.291 38 HD2 PHE 5 HD2 PHE 5 9.942 7.246 -10.036 39 HE1 PHE 5 HE1 PHE 5 9.997 7.255 -5.114 40 HE2 PHE 5 HE2 PHE 5 9.476 9.294 -8.816 41 HZ PHE 5 HZ PHE 5 9.487 9.312 -6.355 42 H SER 6 HN SER 6 11.966 4.911 -11.875 43 HA SER 6 HA SER 6 14.188 6.534 -12.553 44 HB2 SER 6 HB2 SER 6 11.493 6.419 -13.992 45 HB3 SER 6 HB1 SER 6 12.995 7.052 -14.680 46 HG SER 6 HG SER 6 12.583 4.426 -13.679 47 HA PRO 7 HA PRO 7 12.399 10.570 -10.922 48 HB2 PRO 7 HB1 PRO 7 14.612 11.911 -10.090 49 HB3 PRO 7 HB2 PRO 7 13.908 10.530 -9.212 50 HG2 PRO 7 HG1 PRO 7 16.394 10.561 -10.949 51 HG3 PRO 7 HG2 PRO 7 16.089 9.652 -9.447 52 HD2 PRO 7 HD1 PRO 7 15.802 8.692 -12.140 53 HD3 PRO 7 HD2 PRO 7 15.227 7.862 -10.675 54 H PHE 8 HN PHE 8 15.343 10.953 -12.979 55 HA PHE 8 HA PHE 8 13.744 12.546 -15.007 56 HB2 PHE 8 HB1 PHE 8 15.337 14.387 -15.130 57 HB3 PHE 8 HB2 PHE 8 14.563 14.287 -13.569 58 HD1 PHE 8 HD1 PHE 8 17.840 13.912 -15.353 59 HD2 PHE 8 HD2 PHE 8 15.904 13.653 -11.509 60 HE1 PHE 8 HE1 PHE 8 19.995 13.873 -14.234 61 HE2 PHE 8 HE2 PHE 8 18.072 13.620 -10.441 62 HZ PHE 8 HZ PHE 8 20.135 13.735 -11.785 63 H ARG 9 HN ARG 9 14.493 9.932 -15.342 64 HA ARG 9 HA ARG 9 16.255 10.114 -17.828 65 HB2 ARG 9 HB2 ARG 9 16.481 7.897 -15.730 66 HB3 ARG 9 HB1 ARG 9 17.282 7.878 -17.281 67 HG2 ARG 9 HG2 ARG 9 17.890 9.890 -15.035 68 HG3 ARG 9 HG1 ARG 9 18.748 8.377 -15.283 69 HD2 ARG 9 HD1 ARG 9 19.567 9.168 -17.522 70 HD3 ARG 9 HD2 ARG 9 18.680 10.689 -17.297 71 HE ARG 9 HE ARG 9 20.690 9.953 -15.144 72 HH11 ARG 9 2HH2 ARG 9 20.066 12.136 -17.940 73 HH12 ARG 9 1HH2 ARG 9 21.425 13.226 -17.363 74 HH21 ARG 9 1HH1 ARG 9 22.172 11.276 -14.637 75 HH22 ARG 9 2HH1 ARG 9 22.520 12.773 -15.640 76 1HH1 UVL 10 1HH1 UVL 1 25.749 6.889 -14.120 77 1HH2 UVL 10 1HH2 UVL 1 28.327 3.623 -12.709 78 H14 UVL 10 H14 UVL 1 25.619 2.404 -10.779 79 H16 UVL 10 H16 UVL 1 23.114 5.583 -12.161 80 HH1 UVL 10 HH1 UVL 1 28.136 4.856 -13.525 81 H5 UVL 10 H5 UVL 1 20.294 2.063 -13.809 82 H1 UVL 10 H1 UVL 1 20.750 2.409 -11.113 83 H2 UVL 10 H2 UVL 1 19.646 5.277 -11.447 84 H3 UVL 10 H3 UVL 1 18.363 2.566 -12.139 85 H4 UVL 10 H4 UVL 1 19.227 4.982 -13.869 86 H61 UVL 10 H61 UVL 1 22.016 2.773 -15.353 87 H62 UVL 10 H62 UVL 1 20.456 3.138 -16.104 88 2HH1 UVL 10 2HH1 UVL 1 23.491 10.310 -14.366 89 2HH2 UVL 10 2HH2 UVL 1 24.848 9.824 -18.519 90 H24 UVL 10 H24 UVL 1 23.451 6.578 -18.531 91 H26 UVL 10 H26 UVL 1 22.124 7.059 -14.490 92 HH2 UVL 10 HH2 UVL 1 24.751 10.648 -17.284 93 3HH1 UVL 10 3HH1 UVL 1 15.825 -0.976 -9.247 94 3HH2 UVL 10 3HH2 UVL 1 12.361 -0.609 -11.925 95 H34 UVL 10 H34 UVL 1 13.628 2.485 -13.041 96 H36 UVL 10 H36 UVL 1 16.993 2.130 -10.423 97 HH3 UVL 10 HH3 UVL 1 13.138 -1.392 -10.930 98 4HH1 UVL 10 4HH1 UVL 1 16.208 7.557 -5.654 99 4HH2 UVL 10 4HH2 UVL 1 18.698 2.903 -4.005 100 H44 UVL 10 H44 UVL 1 19.122 3.147 -7.503 101 H46 UVL 10 H46 UVL 1 16.952 6.836 -7.581 102 HH4 UVL 10 HH4 UVL 1 17.031 5.538 -3.319 103 5HH1 UVL 10 5HH1 UVL 1 15.224 6.341 -19.306 104 5HH2 UVL 10 5HH2 UVL 1 13.653 1.986 -15.166 105 H54 UVL 10 H54 UVL 1 15.710 2.746 -15.037 106 H56 UVL 10 H56 UVL 1 16.796 5.738 -17.883 107 HH5 UVL 10 HH5 UVL 1 12.537 4.705 -18.749 Start of MODEL 11 1 H1 ARG 1 HN1 ARG 1 5.047 1.603 -6.565 2 H2 ARG 1 HN2 ARG 1 6.227 1.203 -5.480 3 H3 ARG 1 HN3 ARG 1 5.777 0.124 -6.647 4 HA ARG 1 HA ARG 1 6.605 1.544 -8.410 5 HB2 ARG 1 HB1 ARG 1 7.495 3.371 -6.083 6 HB3 ARG 1 HB2 ARG 1 8.120 3.499 -7.703 7 HG2 ARG 1 HG1 ARG 1 6.636 5.187 -7.803 8 HG3 ARG 1 HG2 ARG 1 5.724 3.908 -8.586 9 HD2 ARG 1 HD1 ARG 1 4.476 3.534 -6.376 10 HD3 ARG 1 HD2 ARG 1 5.404 4.869 -5.665 11 HE ARG 1 HE ARG 1 4.214 5.920 -8.069 12 HH11 ARG 1 2HH2 ARG 1 2.905 4.697 -4.943 13 HH12 ARG 1 1HH2 ARG 1 1.432 5.767 -5.169 14 HH21 ARG 1 1HH1 ARG 1 2.509 7.052 -8.166 15 HH22 ARG 1 2HH1 ARG 1 1.230 6.993 -6.851 16 HA PRO 2 HA PRO 2 10.390 -1.026 -8.224 17 HB2 PRO 2 HB1 PRO 2 11.867 1.469 -9.289 18 HB3 PRO 2 HB2 PRO 2 12.114 -0.231 -9.743 19 HG2 PRO 2 HG1 PRO 2 10.579 1.293 -11.341 20 HG3 PRO 2 HG2 PRO 2 9.969 -0.328 -10.902 21 HD2 PRO 2 HD1 PRO 2 9.164 2.370 -9.728 22 HD3 PRO 2 HD2 PRO 2 8.132 0.966 -10.113 23 HA PRO 3 HA PRO 3 12.721 0.089 -4.417 24 HB2 PRO 3 HB2 PRO 3 15.305 -1.229 -5.153 25 HB3 PRO 3 HB1 PRO 3 14.101 -1.703 -3.937 26 HG2 PRO 3 HG2 PRO 3 14.443 -3.154 -6.245 27 HG3 PRO 3 HG1 PRO 3 12.825 -2.931 -5.527 28 HD2 PRO 3 HD1 PRO 3 14.065 -1.266 -7.809 29 HD3 PRO 3 HD2 PRO 3 12.476 -2.093 -7.789 30 H GLY 4 HN GLY 4 12.617 2.263 -5.098 31 HA2 GLY 4 HA2 GLY 4 13.649 4.495 -5.027 32 HA3 GLY 4 HA1 GLY 4 15.234 3.777 -5.393 33 H PHE 5 HN PHE 5 12.056 4.549 -6.777 34 HA PHE 5 HA PHE 5 12.560 3.710 -9.487 35 HB2 PHE 5 HB2 PHE 5 10.490 4.674 -10.091 36 HB3 PHE 5 HB1 PHE 5 10.316 3.913 -8.539 37 HD1 PHE 5 HD1 PHE 5 10.243 7.161 -10.344 38 HD2 PHE 5 HD2 PHE 5 9.935 5.347 -6.448 39 HE1 PHE 5 HE1 PHE 5 9.428 9.255 -9.413 40 HE2 PHE 5 HE2 PHE 5 9.122 7.467 -5.561 41 HZ PHE 5 HZ PHE 5 8.852 9.417 -7.026 42 H SER 6 HN SER 6 12.658 4.924 -11.473 43 HA SER 6 HA SER 6 14.940 6.731 -11.543 44 HB2 SER 6 HB1 SER 6 14.401 5.076 -13.356 45 HB3 SER 6 HB2 SER 6 13.004 6.061 -13.812 46 HG SER 6 HG SER 6 14.449 7.810 -14.120 47 HA PRO 7 HA PRO 7 12.133 10.477 -11.088 48 HB2 PRO 7 HB1 PRO 7 13.918 12.458 -10.390 49 HB3 PRO 7 HB2 PRO 7 13.326 11.194 -9.278 50 HG2 PRO 7 HG2 PRO 7 15.962 11.253 -10.815 51 HG3 PRO 7 HG1 PRO 7 15.706 10.876 -9.088 52 HD2 PRO 7 HD1 PRO 7 15.954 8.910 -11.033 53 HD3 PRO 7 HD2 PRO 7 14.937 8.686 -9.587 54 H PHE 8 HN PHE 8 15.153 11.021 -12.929 55 HA PHE 8 HA PHE 8 13.529 12.216 -15.229 56 HB2 PHE 8 HB2 PHE 8 15.238 13.954 -15.605 57 HB3 PHE 8 HB1 PHE 8 14.380 14.097 -14.101 58 HD1 PHE 8 HD1 PHE 8 17.740 13.341 -15.599 59 HD2 PHE 8 HD2 PHE 8 15.568 13.797 -11.902 60 HE1 PHE 8 HE1 PHE 8 19.819 13.405 -14.343 61 HE2 PHE 8 HE2 PHE 8 17.656 13.855 -10.698 62 HZ PHE 8 HZ PHE 8 19.804 13.675 -11.900 63 H ARG 9 HN ARG 9 15.901 9.810 -14.624 64 HA ARG 9 HA ARG 9 17.124 9.912 -17.385 65 HB2 ARG 9 HB2 ARG 9 17.424 7.885 -15.114 66 HB3 ARG 9 HB1 ARG 9 18.164 7.630 -16.676 67 HG2 ARG 9 HG1 ARG 9 18.821 10.040 -14.911 68 HG3 ARG 9 HG2 ARG 9 19.667 8.511 -14.818 69 HD2 ARG 9 HD1 ARG 9 19.611 10.237 -17.362 70 HD3 ARG 9 HD2 ARG 9 20.853 10.355 -16.115 71 HE ARG 9 HE ARG 9 21.085 7.675 -16.708 72 HH11 ARG 9 1HH1 ARG 9 20.900 10.407 -19.049 73 HH12 ARG 9 2HH1 ARG 9 21.850 9.406 -20.257 74 HH21 ARG 9 2HH2 ARG 9 22.135 6.694 -18.172 75 HH22 ARG 9 1HH2 ARG 9 22.492 7.471 -19.796 76 1HH1 UVL 10 1HH1 UVL 1 25.402 11.690 -7.784 77 1HH2 UVL 10 1HH2 UVL 1 22.206 12.680 -12.187 78 H14 UVL 10 H14 UVL 1 20.558 10.261 -10.212 79 H16 UVL 10 H16 UVL 1 23.742 10.316 -7.356 80 HH1 UVL 10 HH1 UVL 1 24.871 13.247 -10.523 81 H5 UVL 10 H5 UVL 1 21.460 5.793 -11.022 82 H1 UVL 10 H1 UVL 1 20.698 6.664 -8.463 83 H2 UVL 10 H2 UVL 1 18.065 7.657 -9.794 84 H3 UVL 10 H3 UVL 1 19.437 4.912 -9.919 85 H4 UVL 10 H4 UVL 1 18.890 7.136 -12.018 86 H61 UVL 10 H61 UVL 1 21.062 8.037 -13.107 87 H62 UVL 10 H62 UVL 1 22.589 7.704 -12.278 88 2HH1 UVL 10 2HH1 UVL 1 23.597 1.074 -16.098 89 2HH2 UVL 10 2HH2 UVL 1 25.151 3.880 -19.101 90 H24 UVL 10 H24 UVL 1 23.967 6.560 -17.123 91 H26 UVL 10 H26 UVL 1 22.456 3.823 -14.201 92 HH2 UVL 10 HH2 UVL 1 24.939 2.483 -18.629 93 3HH1 UVL 10 3HH1 UVL 1 15.008 3.322 -14.168 94 3HH2 UVL 10 3HH2 UVL 1 14.008 -0.758 -10.571 95 H34 UVL 10 H34 UVL 1 16.056 1.627 -8.936 96 H36 UVL 10 H36 UVL 1 16.144 4.060 -12.444 97 HH3 UVL 10 HH3 UVL 1 13.616 0.534 -13.465 98 4HH1 UVL 10 4HH1 UVL 1 18.231 3.896 -4.117 99 4HH2 UVL 10 4HH2 UVL 1 14.279 8.674 -3.788 100 H44 UVL 10 H44 UVL 1 15.371 8.450 -5.673 101 H46 UVL 10 H46 UVL 1 18.086 5.151 -5.898 102 HH4 UVL 10 HH4 UVL 1 16.282 4.983 -1.831 103 5HH1 UVL 10 5HH1 UVL 1 21.206 2.293 -15.879 104 5HH2 UVL 10 5HH2 UVL 1 15.682 4.527 -17.642 105 H54 UVL 10 H54 UVL 1 16.439 5.232 -15.684 106 H56 UVL 10 H56 UVL 1 20.227 3.690 -14.473 107 HH5 UVL 10 HH5 UVL 1 17.768 2.513 -18.981 Start of MODEL 12 1 H1 ARG 1 HN1 ARG 1 5.090 -1.178 -5.788 2 H2 ARG 1 HN2 ARG 1 6.184 -1.996 -6.717 3 H3 ARG 1 HN3 ARG 1 6.430 -1.846 -5.090 4 HA ARG 1 HA ARG 1 6.423 0.368 -7.067 5 HB2 ARG 1 HB2 ARG 1 6.847 0.387 -4.035 6 HB3 ARG 1 HB1 ARG 1 7.508 1.668 -5.000 7 HG2 ARG 1 HG2 ARG 1 4.492 1.009 -4.999 8 HG3 ARG 1 HG1 ARG 1 5.246 2.035 -3.792 9 HD2 ARG 1 HD2 ARG 1 5.977 3.671 -5.556 10 HD3 ARG 1 HD1 ARG 1 5.242 2.660 -6.805 11 HE ARG 1 HE ARG 1 2.989 3.180 -5.924 12 HH11 ARG 1 1HH2 ARG 1 5.471 5.099 -4.155 13 HH12 ARG 1 2HH2 ARG 1 4.147 6.223 -3.564 14 HH21 ARG 1 2HH1 ARG 1 1.636 4.526 -5.179 15 HH22 ARG 1 1HH1 ARG 1 2.147 5.919 -4.101 16 HA PRO 2 HA PRO 2 10.626 -1.480 -7.853 17 HB2 PRO 2 HB2 PRO 2 11.321 1.362 -8.812 18 HB3 PRO 2 HB1 PRO 2 11.774 -0.201 -9.525 19 HG2 PRO 2 HG2 PRO 2 9.699 1.143 -10.593 20 HG3 PRO 2 HG1 PRO 2 9.497 -0.607 -10.299 21 HD2 PRO 2 HD2 PRO 2 8.509 1.719 -8.566 22 HD3 PRO 2 HD1 PRO 2 7.630 0.240 -9.051 23 HA PRO 3 HA PRO 3 13.218 -0.377 -4.255 24 HB2 PRO 3 HB2 PRO 3 15.820 -0.471 -5.805 25 HB3 PRO 3 HB1 PRO 3 15.351 -1.340 -4.322 26 HG2 PRO 3 HG2 PRO 3 15.375 -2.660 -6.698 27 HG3 PRO 3 HG1 PRO 3 14.009 -2.915 -5.576 28 HD2 PRO 3 HD1 PRO 3 14.081 -1.000 -7.992 29 HD3 PRO 3 HD2 PRO 3 12.856 -2.245 -7.610 30 H GLY 4 HN GLY 4 14.209 1.522 -7.047 31 HA2 GLY 4 HA1 GLY 4 13.990 4.129 -5.544 32 HA3 GLY 4 HA2 GLY 4 15.618 3.761 -6.182 33 H PHE 5 HN PHE 5 12.308 4.454 -7.046 34 HA PHE 5 HA PHE 5 12.317 3.745 -9.826 35 HB2 PHE 5 HB2 PHE 5 10.248 4.887 -10.050 36 HB3 PHE 5 HB1 PHE 5 10.270 4.051 -8.525 37 HD1 PHE 5 HD1 PHE 5 10.177 7.405 -10.144 38 HD2 PHE 5 HD2 PHE 5 10.324 5.387 -6.339 39 HE1 PHE 5 HE1 PHE 5 9.670 9.487 -8.998 40 HE2 PHE 5 HE2 PHE 5 9.814 7.497 -5.236 41 HZ PHE 5 HZ PHE 5 9.474 9.546 -6.546 42 H SER 6 HN SER 6 12.224 5.016 -11.768 43 HA SER 6 HA SER 6 14.560 6.672 -12.172 44 HB2 SER 6 HB1 SER 6 13.626 5.205 -13.922 45 HB3 SER 6 HB2 SER 6 12.162 6.197 -14.012 46 HG SER 6 HG SER 6 13.705 6.737 -15.583 47 HA PRO 7 HA PRO 7 12.222 10.603 -11.089 48 HB2 PRO 7 HB1 PRO 7 14.728 11.981 -10.336 49 HB3 PRO 7 HB2 PRO 7 13.346 11.499 -9.328 50 HG2 PRO 7 HG2 PRO 7 15.822 10.272 -9.125 51 HG3 PRO 7 HG1 PRO 7 14.291 9.406 -8.826 52 HD2 PRO 7 HD2 PRO 7 15.891 9.460 -11.456 53 HD3 PRO 7 HD1 PRO 7 15.303 8.035 -10.551 54 H PHE 8 HN PHE 8 15.285 10.807 -12.982 55 HA PHE 8 HA PHE 8 13.878 12.664 -14.994 56 HB2 PHE 8 HB2 PHE 8 16.808 13.034 -14.043 57 HB3 PHE 8 HB1 PHE 8 15.981 14.031 -15.209 58 HD1 PHE 8 HD1 PHE 8 16.353 13.248 -11.627 59 HD2 PHE 8 HD2 PHE 8 14.278 15.672 -14.493 60 HE1 PHE 8 HE1 PHE 8 15.636 14.782 -9.832 61 HE2 PHE 8 HE2 PHE 8 13.570 17.199 -12.673 62 HZ PHE 8 HZ PHE 8 14.253 16.748 -10.353 63 H ARG 9 HN ARG 9 16.504 10.243 -14.558 64 HA ARG 9 HA ARG 9 17.179 10.416 -17.425 65 HB2 ARG 9 HB2 ARG 9 18.325 8.690 -15.176 66 HB3 ARG 9 HB1 ARG 9 18.942 8.630 -16.808 67 HG2 ARG 9 HG1 ARG 9 18.934 11.237 -15.145 68 HG3 ARG 9 HG2 ARG 9 20.207 10.052 -15.030 69 HD2 ARG 9 HD1 ARG 9 21.104 11.661 -16.459 70 HD3 ARG 9 HD2 ARG 9 20.638 10.361 -17.562 71 HE ARG 9 HE ARG 9 18.812 11.761 -18.438 72 HH11 ARG 9 1HH2 ARG 9 20.595 13.620 -15.922 73 HH12 ARG 9 2HH2 ARG 9 19.803 15.159 -16.532 74 HH21 ARG 9 2HH1 ARG 9 18.017 13.565 -18.994 75 HH22 ARG 9 1HH1 ARG 9 18.459 15.125 -18.135 76 1HH1 UVL 10 1HH1 UVL 1 21.871 12.383 -13.187 77 1HH2 UVL 10 1HH2 UVL 1 25.911 11.763 -11.572 78 H14 UVL 10 H14 UVL 1 24.663 9.042 -9.675 79 H16 UVL 10 H16 UVL 1 20.736 9.654 -11.253 80 HH1 UVL 10 HH1 UVL 1 24.972 12.527 -12.441 81 H5 UVL 10 H5 UVL 1 21.004 5.268 -12.978 82 H1 UVL 10 H1 UVL 1 21.094 5.757 -10.240 83 H2 UVL 10 H2 UVL 1 18.291 7.088 -10.571 84 H3 UVL 10 H3 UVL 1 19.277 4.336 -11.475 85 H4 UVL 10 H4 UVL 1 18.390 6.879 -13.024 86 H61 UVL 10 H61 UVL 1 20.615 6.304 -15.239 87 H62 UVL 10 H62 UVL 1 20.321 7.878 -14.471 88 2HH1 UVL 10 2HH1 UVL 1 28.076 7.739 -13.125 89 2HH2 UVL 10 2HH2 UVL 1 26.448 9.765 -18.006 90 H24 UVL 10 H24 UVL 1 24.533 9.026 -17.256 91 H26 UVL 10 H26 UVL 1 24.602 7.182 -13.394 92 HH2 UVL 10 HH2 UVL 1 28.791 8.417 -14.242 93 3HH1 UVL 10 3HH1 UVL 1 13.249 -0.703 -11.062 94 3HH2 UVL 10 3HH2 UVL 1 13.750 3.622 -14.469 95 H34 UVL 10 H34 UVL 1 15.349 4.105 -13.023 96 H36 UVL 10 H36 UVL 1 15.898 1.319 -9.839 97 HH3 UVL 10 HH3 UVL 1 12.294 0.909 -13.649 98 4HH1 UVL 10 4HH1 UVL 1 19.025 1.967 -6.163 99 4HH2 UVL 10 4HH2 UVL 1 16.493 7.014 -3.582 100 H44 UVL 10 H44 UVL 1 17.081 7.194 -5.680 101 H46 UVL 10 H46 UVL 1 18.824 3.711 -7.456 102 HH4 UVL 10 HH4 UVL 1 17.163 4.089 -2.489 103 5HH1 UVL 10 5HH1 UVL 1 18.189 1.960 -19.110 104 5HH2 UVL 10 5HH2 UVL 1 14.107 3.596 -19.070 105 H54 UVL 10 H54 UVL 1 14.899 5.309 -16.041 106 H56 UVL 10 H56 UVL 1 18.855 3.721 -16.087 107 HH5 UVL 10 HH5 UVL 1 16.837 2.072 -19.727 Start of MODEL 13 1 H1 ARG 1 HN1 ARG 1 6.427 -1.946 -5.412 2 H2 ARG 1 HN2 ARG 1 5.091 -1.305 -6.141 3 H3 ARG 1 HN3 ARG 1 6.243 -2.065 -7.049 4 HA ARG 1 HA ARG 1 6.416 0.315 -7.336 5 HB2 ARG 1 HB1 ARG 1 6.744 0.277 -4.293 6 HB3 ARG 1 HB2 ARG 1 7.376 1.606 -5.214 7 HG2 ARG 1 HG1 ARG 1 4.393 0.821 -5.301 8 HG3 ARG 1 HG2 ARG 1 5.073 1.856 -4.059 9 HD2 ARG 1 HD1 ARG 1 5.761 3.560 -5.769 10 HD3 ARG 1 HD2 ARG 1 5.114 2.539 -7.063 11 HE ARG 1 HE ARG 1 2.906 2.809 -5.330 12 HH11 ARG 1 2HH2 ARG 1 4.951 5.321 -6.908 13 HH12 ARG 1 1HH2 ARG 1 3.523 6.472 -6.872 14 HH21 ARG 1 1HH1 ARG 1 1.417 4.215 -5.368 15 HH22 ARG 1 2HH1 ARG 1 1.682 5.891 -6.068 16 HA PRO 2 HA PRO 2 10.694 -1.404 -7.993 17 HB2 PRO 2 HB1 PRO 2 11.343 1.457 -8.929 18 HB3 PRO 2 HB2 PRO 2 11.859 -0.095 -9.626 19 HG2 PRO 2 HG1 PRO 2 9.783 1.203 -10.753 20 HG3 PRO 2 HG2 PRO 2 9.617 -0.552 -10.473 21 HD2 PRO 2 HD1 PRO 2 8.515 1.738 -8.761 22 HD3 PRO 2 HD2 PRO 2 7.689 0.242 -9.281 23 HA PRO 3 HA PRO 3 12.987 0.158 -4.309 24 HB2 PRO 3 HB2 PRO 3 15.465 -0.968 -4.438 25 HB3 PRO 3 HB1 PRO 3 13.969 -1.907 -4.227 26 HG2 PRO 3 HG1 PRO 3 15.578 -1.520 -6.781 27 HG3 PRO 3 HG2 PRO 3 14.867 -3.028 -6.144 28 HD2 PRO 3 HD1 PRO 3 13.664 -1.363 -8.090 29 HD3 PRO 3 HD2 PRO 3 12.739 -2.478 -7.050 30 H GLY 4 HN GLY 4 12.629 2.271 -5.174 31 HA2 GLY 4 HA1 GLY 4 13.529 4.561 -5.193 32 HA3 GLY 4 HA2 GLY 4 15.135 3.938 -5.601 33 H PHE 5 HN PHE 5 11.937 4.647 -6.879 34 HA PHE 5 HA PHE 5 12.301 3.762 -9.599 35 HB2 PHE 5 HB2 PHE 5 10.244 4.827 -10.129 36 HB3 PHE 5 HB1 PHE 5 10.100 4.073 -8.571 37 HD1 PHE 5 HD1 PHE 5 10.146 7.339 -10.369 38 HD2 PHE 5 HD2 PHE 5 9.838 5.516 -6.476 39 HE1 PHE 5 HE1 PHE 5 9.427 9.455 -9.411 40 HE2 PHE 5 HE2 PHE 5 9.122 7.656 -5.563 41 HZ PHE 5 HZ PHE 5 8.903 9.626 -7.013 42 H SER 6 HN SER 6 12.354 4.993 -11.612 43 HA SER 6 HA SER 6 14.724 6.654 -11.789 44 HB2 SER 6 HB2 SER 6 14.022 5.112 -13.596 45 HB3 SER 6 HB1 SER 6 12.603 6.119 -13.924 46 HG SER 6 HG SER 6 14.370 6.593 -15.268 47 HA PRO 7 HA PRO 7 12.243 10.583 -11.086 48 HB2 PRO 7 HB1 PRO 7 14.165 12.369 -10.314 49 HB3 PRO 7 HB2 PRO 7 13.550 11.063 -9.265 50 HG2 PRO 7 HG1 PRO 7 16.128 11.099 -10.892 51 HG3 PRO 7 HG2 PRO 7 15.907 10.590 -9.194 52 HD2 PRO 7 HD1 PRO 7 15.958 8.808 -11.357 53 HD3 PRO 7 HD2 PRO 7 15.067 8.473 -9.855 54 H PHE 8 HN PHE 8 15.292 11.030 -12.936 55 HA PHE 8 HA PHE 8 13.737 12.260 -15.257 56 HB2 PHE 8 HB1 PHE 8 15.309 14.150 -15.472 57 HB3 PHE 8 HB2 PHE 8 14.460 14.169 -13.957 58 HD1 PHE 8 HD1 PHE 8 15.699 13.721 -11.778 59 HD2 PHE 8 HD2 PHE 8 17.849 13.659 -15.511 60 HE1 PHE 8 HE1 PHE 8 17.795 13.874 -10.587 61 HE2 PHE 8 HE2 PHE 8 19.929 13.809 -14.275 62 HZ PHE 8 HZ PHE 8 19.931 13.930 -11.821 63 H ARG 9 HN ARG 9 16.683 10.522 -14.329 64 HA ARG 9 HA ARG 9 17.452 10.264 -17.273 65 HB2 ARG 9 HB2 ARG 9 18.965 11.352 -15.285 66 HB3 ARG 9 HB1 ARG 9 19.186 9.687 -14.768 67 HG2 ARG 9 HG2 ARG 9 20.174 9.206 -17.093 68 HG3 ARG 9 HG1 ARG 9 19.915 10.911 -17.502 69 HD2 ARG 9 HD2 ARG 9 21.480 11.619 -15.673 70 HD3 ARG 9 HD1 ARG 9 21.735 9.927 -15.212 71 HE ARG 9 HE ARG 9 22.404 9.908 -17.945 72 HH11 ARG 9 2HH2 ARG 9 23.644 12.001 -15.288 73 HH12 ARG 9 1HH2 ARG 9 25.224 12.185 -16.202 74 HH21 ARG 9 2HH1 ARG 9 24.225 10.216 -18.832 75 HH22 ARG 9 1HH1 ARG 9 25.522 11.252 -18.050 76 1HH1 UVL 10 1HH1 UVL 1 21.492 12.329 -13.209 77 1HH2 UVL 10 1HH2 UVL 1 25.111 11.802 -9.061 78 H14 UVL 10 H14 UVL 1 23.562 10.400 -8.384 79 H16 UVL 10 H16 UVL 1 20.139 10.007 -10.919 80 HH1 UVL 10 HH1 UVL 1 24.261 13.131 -11.839 81 H5 UVL 10 H5 UVL 1 21.091 5.565 -11.545 82 H1 UVL 10 H1 UVL 1 20.593 6.566 -8.973 83 H2 UVL 10 H2 UVL 1 17.792 7.390 -10.033 84 H3 UVL 10 H3 UVL 1 19.245 4.688 -10.153 85 H4 UVL 10 H4 UVL 1 18.349 6.676 -12.355 86 H61 UVL 10 H61 UVL 1 20.373 7.716 -13.638 87 H62 UVL 10 H62 UVL 1 21.026 6.102 -13.987 88 2HH1 UVL 10 2HH1 UVL 1 27.388 9.759 -10.926 89 2HH2 UVL 10 2HH2 UVL 1 28.110 10.292 -15.228 90 H24 UVL 10 H24 UVL 1 24.968 8.809 -15.879 91 H26 UVL 10 H26 UVL 1 24.269 8.291 -11.688 92 HH2 UVL 10 HH2 UVL 1 28.261 10.226 -12.039 93 3HH1 UVL 10 3HH1 UVL 1 13.819 -1.088 -10.703 94 3HH2 UVL 10 3HH2 UVL 1 12.437 2.292 -13.145 95 H34 UVL 10 H34 UVL 1 15.093 4.247 -11.831 96 H36 UVL 10 H36 UVL 1 16.434 0.969 -9.457 97 HH3 UVL 10 HH3 UVL 1 12.291 0.881 -12.700 98 4HH1 UVL 10 4HH1 UVL 1 14.926 7.310 -2.284 99 4HH2 UVL 10 4HH2 UVL 1 17.538 3.820 -2.844 100 H44 UVL 10 H44 UVL 1 18.147 4.878 -6.157 101 H46 UVL 10 H46 UVL 1 15.609 8.281 -5.614 102 HH4 UVL 10 HH4 UVL 1 16.635 4.629 -1.978 103 5HH1 UVL 10 5HH1 UVL 1 21.644 3.851 -16.644 104 5HH2 UVL 10 5HH2 UVL 1 15.688 4.822 -18.119 105 H54 UVL 10 H54 UVL 1 16.187 4.916 -15.973 106 H56 UVL 10 H56 UVL 1 20.280 4.235 -14.964 107 HH5 UVL 10 HH5 UVL 1 20.047 3.915 -19.409