NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
547311 | 2lur | 18536 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 1.807 0.001 0.856 2 HA CYS 1 HA CYS 1 1.814 0.877 -1.804 3 HB2 CYS 1 HB2 CYS 1 3.836 -0.702 -0.212 4 HB3 CYS 1 HB3 CYS 1 4.143 -0.133 -1.850 5 H GLY 2 H GLY 2 1.388 -2.293 -0.417 6 HA2 GLY 2 HA2 GLY 2 0.280 -4.040 -1.586 7 HA3 GLY 2 HA3 GLY 2 0.814 -3.327 -3.101 8 H GLU 3 H GLU 3 2.646 -4.220 -0.189 9 HA GLU 3 HA GLU 3 4.025 -6.294 -1.729 10 HB2 GLU 3 HB2 GLU 3 5.299 -3.915 -0.408 11 HB3 GLU 3 HB3 GLU 3 6.191 -5.416 -0.611 12 HG2 GLU 3 HG2 GLU 3 6.791 -4.142 -2.457 13 HG3 GLU 3 HG3 GLU 3 5.568 -5.249 -3.079 14 H THR 4 H THR 4 5.794 -7.264 -0.056 15 HA THR 4 HA THR 4 4.609 -7.531 2.599 16 HB THR 4 HB THR 4 3.504 -9.348 1.607 17 HG1 THR 4 HG1 THR 4 4.948 -11.212 2.350 18 HG21 THR 4 HG21 THR 4 4.265 -9.788 -0.483 19 HG22 THR 4 HG22 THR 4 5.158 -11.061 0.349 20 HG23 THR 4 HG23 THR 4 5.952 -9.535 -0.038 21 H CYS 5 H CYS 5 6.154 -7.443 4.086 22 HA CYS 5 HA CYS 5 8.918 -8.022 3.272 23 HB2 CYS 5 HB2 CYS 5 9.535 -6.690 5.305 24 HB3 CYS 5 HB3 CYS 5 8.667 -5.774 4.077 25 H VAL 6 H VAL 6 8.000 -10.338 3.568 26 HA VAL 6 HA VAL 6 7.461 -11.435 6.062 27 HB VAL 6 HB VAL 6 8.975 -12.817 3.845 28 HG11 VAL 6 HG11 VAL 6 7.607 -14.783 4.813 29 HG12 VAL 6 HG12 VAL 6 9.041 -14.237 5.684 30 HG13 VAL 6 HG13 VAL 6 7.436 -13.757 6.236 31 HG21 VAL 6 HG21 VAL 6 6.238 -11.833 3.968 32 HG22 VAL 6 HG22 VAL 6 7.171 -12.414 2.588 33 HG23 VAL 6 HG23 VAL 6 6.333 -13.562 3.632 34 H GLY 7 H GLY 7 10.464 -10.364 4.709 35 HA2 GLY 7 HA2 GLY 7 12.107 -11.829 6.588 36 HA3 GLY 7 HA3 GLY 7 12.661 -10.639 5.420 37 H GLY 8 H GLY 8 10.420 -8.845 6.576 38 HA2 GLY 8 HA2 GLY 8 10.111 -7.523 8.504 39 HA3 GLY 8 HA3 GLY 8 11.582 -8.205 9.181 40 H THR 9 H THR 9 11.360 -6.886 5.940 41 HA THR 9 HA THR 9 12.750 -4.453 6.796 42 HB THR 9 HB THR 9 14.606 -5.811 6.214 43 HG1 THR 9 HG1 THR 9 15.434 -4.624 4.520 44 HG21 THR 9 HG21 THR 9 14.245 -7.634 4.975 45 HG22 THR 9 HG22 THR 9 14.293 -6.586 3.558 46 HG23 THR 9 HG23 THR 9 12.749 -6.970 4.319 47 H CYS 10 H CYS 10 11.282 -2.983 6.164 48 HA CYS 10 HA CYS 10 10.742 -2.738 3.321 49 HB2 CYS 10 HB2 CYS 10 8.852 -3.980 4.921 50 HB3 CYS 10 HB3 CYS 10 8.287 -2.315 4.842 51 H ASN 11 H ASN 11 12.268 -1.258 5.307 52 HA ASN 11 HA ASN 11 10.820 1.115 5.985 53 HB2 ASN 11 HB2 ASN 11 13.680 0.244 6.150 54 HB3 ASN 11 HB3 ASN 11 13.292 1.952 6.335 55 HD21 ASN 11 HD21 ASN 11 13.329 -1.117 7.801 56 HD22 ASN 11 HD22 ASN 11 12.641 -0.660 9.318 57 H THR 12 H THR 12 9.945 1.758 3.961 58 HA THR 12 HA THR 12 11.911 2.881 2.076 59 HB THR 12 HB THR 12 9.599 2.976 0.672 60 HG1 THR 12 HG1 THR 12 8.792 0.682 1.137 61 HG21 THR 12 HG21 THR 12 10.634 0.348 0.317 62 HG22 THR 12 HG22 THR 12 11.980 1.428 0.681 63 HG23 THR 12 HG23 THR 12 10.907 1.780 -0.674 64 HA PRO 13 HA PRO 13 10.557 6.980 2.869 65 HB2 PRO 13 HB2 PRO 13 10.662 8.097 0.397 66 HB3 PRO 13 HB3 PRO 13 12.107 7.680 1.325 67 HG2 PRO 13 HG2 PRO 13 10.777 6.169 -0.891 68 HG3 PRO 13 HG3 PRO 13 12.504 6.460 -0.615 69 HD2 PRO 13 HD2 PRO 13 11.300 4.121 0.027 70 HD3 PRO 13 HD3 PRO 13 12.666 4.778 0.952 71 H GLY 14 H GLY 14 8.372 6.413 3.470 72 HA2 GLY 14 HA2 GLY 14 6.236 7.560 3.058 73 HA3 GLY 14 HA3 GLY 14 6.418 7.116 1.368 74 H CYS 15 H CYS 15 7.499 4.575 3.189 75 HA CYS 15 HA CYS 15 4.860 3.361 3.530 76 HB2 CYS 15 HB2 CYS 15 6.360 2.842 1.271 77 HB3 CYS 15 HB3 CYS 15 6.786 1.508 2.338 78 H THR 16 H THR 16 4.820 1.584 4.965 79 HA THR 16 HA THR 16 7.272 1.248 6.567 80 HB THR 16 HB THR 16 5.692 0.841 8.526 81 HG1 THR 16 HG1 THR 16 3.823 0.817 6.934 82 HG21 THR 16 HG21 THR 16 5.344 3.303 8.901 83 HG22 THR 16 HG22 THR 16 5.938 3.568 7.262 84 HG23 THR 16 HG23 THR 16 6.992 2.844 8.476 85 H CYS 17 H CYS 17 7.382 -0.791 7.773 86 HA CYS 17 HA CYS 17 6.490 -2.991 6.112 87 HB2 CYS 17 HB2 CYS 17 8.800 -2.949 6.949 88 HB3 CYS 17 HB3 CYS 17 8.204 -2.977 8.606 89 H SER 18 H SER 18 5.114 -4.626 6.712 90 HA SER 18 HA SER 18 3.862 -4.495 9.354 91 HB2 SER 18 HB2 SER 18 2.488 -3.161 7.705 92 HB3 SER 18 HB3 SER 18 2.214 -4.663 6.823 93 HG SER 18 HG SER 18 0.557 -4.721 8.157 94 H TRP 19 H TRP 19 5.654 -6.368 8.830 95 HA TRP 19 HA TRP 19 5.239 -8.647 7.498 96 HB2 TRP 19 HB2 TRP 19 7.058 -8.259 9.163 97 HB3 TRP 19 HB3 TRP 19 5.908 -8.618 10.448 98 HD1 TRP 19 HD1 TRP 19 8.230 -10.270 8.009 99 HE1 TRP 19 HE1 TRP 19 8.104 -12.826 8.284 100 HE3 TRP 19 HE3 TRP 19 4.124 -10.558 11.042 101 HZ2 TRP 19 HZ2 TRP 19 6.478 -14.714 9.611 102 HZ3 TRP 19 HZ3 TRP 19 3.348 -12.777 11.768 103 HH2 TRP 19 HH2 TRP 19 4.502 -14.811 11.066 104 HA PRO 20 HA PRO 20 5.165 -10.806 7.387 105 HB2 PRO 20 HB2 PRO 20 3.487 -12.130 5.713 106 HB3 PRO 20 HB3 PRO 20 3.968 -12.764 7.291 107 HG2 PRO 20 HG2 PRO 20 1.453 -11.342 6.507 108 HG3 PRO 20 HG3 PRO 20 1.655 -12.770 7.538 109 HD2 PRO 20 HD2 PRO 20 1.269 -10.287 8.548 110 HD3 PRO 20 HD3 PRO 20 2.248 -11.513 9.378 111 H VAL 21 H VAL 21 2.179 -9.252 6.279 112 HA VAL 21 HA VAL 21 3.097 -8.665 3.661 113 HB VAL 21 HB VAL 21 1.185 -7.238 3.443 114 HG11 VAL 21 HG11 VAL 21 0.438 -9.554 5.224 115 HG12 VAL 21 HG12 VAL 21 -0.603 -8.746 4.050 116 HG13 VAL 21 HG13 VAL 21 0.792 -9.675 3.501 117 HG21 VAL 21 HG21 VAL 21 -0.241 -6.686 5.397 118 HG22 VAL 21 HG22 VAL 21 0.996 -7.371 6.451 119 HG23 VAL 21 HG23 VAL 21 1.360 -5.950 5.471 120 H CYS 22 H CYS 22 2.673 -6.033 3.196 121 HA CYS 22 HA CYS 22 4.288 -4.451 5.017 122 HB2 CYS 22 HB2 CYS 22 6.041 -5.406 3.690 123 HB3 CYS 22 HB3 CYS 22 5.163 -5.088 2.198 124 H GLY 23 H GLY 23 3.873 -2.280 4.889 125 HA2 GLY 23 HA2 GLY 23 3.052 -0.675 2.908 126 HA3 GLY 23 HA3 GLY 23 1.566 -1.532 3.290 127 H HIS 24 H HIS 24 0.361 -0.875 4.982 128 HA HIS 24 HA HIS 24 1.545 0.959 6.934 129 HB2 HIS 24 HB2 HIS 24 -1.087 1.555 5.579 130 HB3 HIS 24 HB3 HIS 24 -0.199 2.586 6.698 131 HD1 HIS 24 HD1 HIS 24 1.366 4.237 5.683 132 HD2 HIS 24 HD2 HIS 24 0.279 1.250 3.007 133 HE1 HIS 24 HE1 HIS 24 2.342 4.928 3.471 134 H PHE 25 H PHE 25 -0.658 1.613 8.383 135 HA PHE 25 HA PHE 25 -1.552 -1.010 9.368 136 HB2 PHE 25 HB2 PHE 25 -0.251 0.180 11.016 137 HB3 PHE 25 HB3 PHE 25 -1.225 1.631 10.802 138 HD1 PHE 25 HD2 PHE 25 -3.445 1.793 11.755 139 HD2 PHE 25 HD1 PHE 25 -1.069 -1.698 12.289 140 HE1 PHE 25 HE2 PHE 25 -4.944 1.053 13.560 141 HE2 PHE 25 HE1 PHE 25 -2.565 -2.444 14.094 142 HZ PHE 25 HZ PHE 25 -4.505 -1.068 14.733 143 H ARG 26 H ARG 26 -2.597 2.085 8.206 144 HA ARG 26 HA ARG 26 -5.353 1.675 9.007 145 HB2 ARG 26 HB2 ARG 26 -4.031 3.932 8.784 146 HB3 ARG 26 HB3 ARG 26 -4.488 3.805 7.090 147 HG2 ARG 26 HG2 ARG 26 -6.603 3.490 9.155 148 HG3 ARG 26 HG3 ARG 26 -5.977 5.105 8.817 149 HD2 ARG 26 HD2 ARG 26 -6.676 5.031 6.582 150 HD3 ARG 26 HD3 ARG 26 -6.878 3.280 6.614 151 HE ARG 26 HE ARG 26 -8.974 3.564 7.509 152 HH11 ARG 26 HH11 ARG 26 -7.228 6.573 7.648 153 HH12 ARG 26 HH12 ARG 26 -8.611 7.505 8.116 154 HH21 ARG 26 HH21 ARG 26 -10.803 4.780 8.126 155 HH22 ARG 26 HH22 ARG 26 -10.644 6.484 8.389 156 H TRP 27 H TRP 27 -3.522 1.879 5.965 157 HA TRP 27 HA TRP 27 -5.832 0.832 4.511 158 HB2 TRP 27 HB2 TRP 27 -3.182 1.686 3.344 159 HB3 TRP 27 HB3 TRP 27 -4.720 1.499 2.507 160 HD1 TRP 27 HD1 TRP 27 -6.694 3.237 3.986 161 HE1 TRP 27 HE1 TRP 27 -6.389 5.778 4.261 162 HE3 TRP 27 HE3 TRP 27 -1.642 3.530 3.259 163 HZ2 TRP 27 HZ2 TRP 27 -4.284 7.658 4.180 164 HZ3 TRP 27 HZ3 TRP 27 -0.561 5.737 3.374 165 HH2 TRP 27 HH2 TRP 27 -1.856 7.757 3.824 166 H GLY 28 H GLY 28 -2.321 0.212 4.315 167 HA2 GLY 28 HA2 GLY 28 -1.390 -1.961 4.810 168 HA3 GLY 28 HA3 GLY 28 -2.927 -2.673 4.342 169 H VAL 29 H VAL 29 -1.312 -0.149 2.520 170 HA VAL 29 HA VAL 29 -0.313 -2.067 0.568 171 HB VAL 29 HB VAL 29 -1.400 -0.730 -1.297 172 HG11 VAL 29 HG11 VAL 29 -3.127 -2.375 0.548 173 HG12 VAL 29 HG12 VAL 29 -3.535 -1.969 -1.121 174 HG13 VAL 29 HG13 VAL 29 -2.124 -2.971 -0.775 175 HG21 VAL 29 HG21 VAL 29 -2.803 0.949 -0.868 176 HG22 VAL 29 HG22 VAL 29 -3.684 0.005 0.333 177 HG23 VAL 29 HG23 VAL 29 -2.227 0.883 0.798 Start of MODEL 2 1 H1 CYS 1 H CYS 1 1.666 -0.127 0.867 2 HA CYS 1 HA CYS 1 2.505 0.305 -1.869 3 HB2 CYS 1 HB2 CYS 1 3.852 -0.711 0.618 4 HB3 CYS 1 HB3 CYS 1 4.616 -0.905 -0.956 5 H GLY 2 H GLY 2 1.229 -2.265 0.052 6 HA2 GLY 2 HA2 GLY 2 0.666 -4.431 -0.457 7 HA3 GLY 2 HA3 GLY 2 0.727 -3.935 -2.142 8 H GLU 3 H GLU 3 3.371 -3.974 0.209 9 HA GLU 3 HA GLU 3 4.784 -5.853 -1.561 10 HB2 GLU 3 HB2 GLU 3 5.701 -3.591 0.165 11 HB3 GLU 3 HB3 GLU 3 6.804 -4.924 -0.149 12 HG2 GLU 3 HG2 GLU 3 5.428 -3.365 -2.318 13 HG3 GLU 3 HG3 GLU 3 7.022 -2.962 -1.683 14 H THR 4 H THR 4 6.671 -6.939 -0.132 15 HA THR 4 HA THR 4 5.238 -8.374 1.992 16 HB THR 4 HB THR 4 7.529 -9.815 1.586 17 HG1 THR 4 HG1 THR 4 7.999 -9.812 -0.569 18 HG21 THR 4 HG21 THR 4 6.098 -11.335 0.248 19 HG22 THR 4 HG22 THR 4 4.881 -10.062 0.154 20 HG23 THR 4 HG23 THR 4 5.307 -10.763 1.715 21 H CYS 5 H CYS 5 6.097 -8.636 4.028 22 HA CYS 5 HA CYS 5 8.652 -7.329 4.624 23 HB2 CYS 5 HB2 CYS 5 6.272 -6.062 5.139 24 HB3 CYS 5 HB3 CYS 5 6.594 -6.873 6.668 25 H VAL 6 H VAL 6 7.465 -10.126 4.504 26 HA VAL 6 HA VAL 6 7.132 -11.279 6.983 27 HB VAL 6 HB VAL 6 6.812 -12.579 4.981 28 HG11 VAL 6 HG11 VAL 6 8.587 -13.258 3.523 29 HG12 VAL 6 HG12 VAL 6 8.649 -11.502 3.686 30 HG13 VAL 6 HG13 VAL 6 9.796 -12.512 4.567 31 HG21 VAL 6 HG21 VAL 6 7.853 -14.638 5.633 32 HG22 VAL 6 HG22 VAL 6 9.117 -13.778 6.511 33 HG23 VAL 6 HG23 VAL 6 7.453 -13.735 7.095 34 H GLY 7 H GLY 7 10.152 -10.474 5.324 35 HA2 GLY 7 HA2 GLY 7 11.716 -11.499 7.567 36 HA3 GLY 7 HA3 GLY 7 12.353 -10.900 6.042 37 H GLY 8 H GLY 8 10.126 -8.683 6.933 38 HA2 GLY 8 HA2 GLY 8 10.229 -6.592 7.877 39 HA3 GLY 8 HA3 GLY 8 11.372 -7.267 9.030 40 H THR 9 H THR 9 11.403 -6.567 5.531 41 HA THR 9 HA THR 9 13.616 -4.721 5.912 42 HB THR 9 HB THR 9 14.760 -6.879 5.670 43 HG1 THR 9 HG1 THR 9 16.143 -6.178 4.060 44 HG21 THR 9 HG21 THR 9 13.743 -7.105 2.864 45 HG22 THR 9 HG22 THR 9 12.810 -7.786 4.196 46 HG23 THR 9 HG23 THR 9 14.456 -8.341 3.899 47 H CYS 10 H CYS 10 11.032 -4.158 5.123 48 HA CYS 10 HA CYS 10 11.411 -3.460 2.287 49 HB2 CYS 10 HB2 CYS 10 8.929 -3.598 2.039 50 HB3 CYS 10 HB3 CYS 10 9.693 -5.148 2.377 51 H ASN 11 H ASN 11 12.398 -1.681 3.903 52 HA ASN 11 HA ASN 11 10.370 0.247 4.705 53 HB2 ASN 11 HB2 ASN 11 13.324 0.753 4.862 54 HB3 ASN 11 HB3 ASN 11 12.040 1.335 5.918 55 HD21 ASN 11 HD21 ASN 11 14.212 -1.247 5.202 56 HD22 ASN 11 HD22 ASN 11 13.894 -2.189 6.615 57 H THR 12 H THR 12 9.674 1.789 3.395 58 HA THR 12 HA THR 12 11.462 2.740 1.253 59 HB THR 12 HB THR 12 8.924 3.227 0.286 60 HG1 THR 12 HG1 THR 12 8.835 0.516 1.010 61 HG21 THR 12 HG21 THR 12 10.196 2.445 -1.390 62 HG22 THR 12 HG22 THR 12 9.615 0.851 -0.908 63 HG23 THR 12 HG23 THR 12 11.163 1.445 -0.307 64 HA PRO 13 HA PRO 13 10.719 6.848 2.608 65 HB2 PRO 13 HB2 PRO 13 10.650 8.214 0.263 66 HB3 PRO 13 HB3 PRO 13 12.139 7.545 0.941 67 HG2 PRO 13 HG2 PRO 13 10.371 6.438 -1.207 68 HG3 PRO 13 HG3 PRO 13 12.141 6.511 -1.142 69 HD2 PRO 13 HD2 PRO 13 10.754 4.258 -0.569 70 HD3 PRO 13 HD3 PRO 13 12.293 4.658 0.220 71 H GLY 14 H GLY 14 8.597 6.552 3.470 72 HA2 GLY 14 HA2 GLY 14 6.579 7.941 3.443 73 HA3 GLY 14 HA3 GLY 14 6.485 7.638 1.714 74 H CYS 15 H CYS 15 7.466 4.819 3.101 75 HA CYS 15 HA CYS 15 4.698 3.868 3.450 76 HB2 CYS 15 HB2 CYS 15 6.371 3.150 1.388 77 HB3 CYS 15 HB3 CYS 15 6.635 1.855 2.552 78 H THR 16 H THR 16 4.457 1.987 4.828 79 HA THR 16 HA THR 16 6.592 1.803 6.854 80 HB THR 16 HB THR 16 3.935 1.012 7.779 81 HG1 THR 16 HG1 THR 16 4.388 3.737 7.061 82 HG21 THR 16 HG21 THR 16 6.275 2.582 8.719 83 HG22 THR 16 HG22 THR 16 5.387 1.286 9.520 84 HG23 THR 16 HG23 THR 16 4.715 2.915 9.470 85 H CYS 17 H CYS 17 5.890 -0.286 8.321 86 HA CYS 17 HA CYS 17 5.688 -2.522 6.410 87 HB2 CYS 17 HB2 CYS 17 7.944 -2.366 7.308 88 HB3 CYS 17 HB3 CYS 17 7.316 -2.344 8.953 89 H SER 18 H SER 18 4.410 -4.256 6.937 90 HA SER 18 HA SER 18 3.026 -4.226 9.518 91 HB2 SER 18 HB2 SER 18 1.773 -3.931 6.824 92 HB3 SER 18 HB3 SER 18 0.922 -4.883 8.039 93 HG SER 18 HG SER 18 1.621 -2.154 8.089 94 H TRP 19 H TRP 19 4.896 -5.962 9.340 95 HA TRP 19 HA TRP 19 4.872 -8.267 7.968 96 HB2 TRP 19 HB2 TRP 19 6.410 -7.760 9.848 97 HB3 TRP 19 HB3 TRP 19 5.116 -8.141 10.982 98 HD1 TRP 19 HD1 TRP 19 7.864 -9.731 9.013 99 HE1 TRP 19 HE1 TRP 19 7.818 -12.283 9.344 100 HE3 TRP 19 HE3 TRP 19 3.320 -10.169 11.314 101 HZ2 TRP 19 HZ2 TRP 19 6.085 -14.225 10.436 102 HZ3 TRP 19 HZ3 TRP 19 2.541 -12.409 11.970 103 HH2 TRP 19 HH2 TRP 19 3.896 -14.394 11.539 104 HA PRO 20 HA PRO 20 4.988 -10.428 7.884 105 HB2 PRO 20 HB2 PRO 20 3.685 -11.891 6.005 106 HB3 PRO 20 HB3 PRO 20 3.977 -12.478 7.647 107 HG2 PRO 20 HG2 PRO 20 1.500 -11.267 6.481 108 HG3 PRO 20 HG3 PRO 20 1.661 -12.669 7.555 109 HD2 PRO 20 HD2 PRO 20 0.935 -10.221 8.455 110 HD3 PRO 20 HD3 PRO 20 1.876 -11.360 9.439 111 H VAL 21 H VAL 21 2.069 -9.233 6.245 112 HA VAL 21 HA VAL 21 3.262 -8.582 3.794 113 HB VAL 21 HB VAL 21 1.342 -7.193 3.356 114 HG11 VAL 21 HG11 VAL 21 0.730 -9.699 4.903 115 HG12 VAL 21 HG12 VAL 21 -0.501 -8.790 4.024 116 HG13 VAL 21 HG13 VAL 21 0.861 -9.500 3.156 117 HG21 VAL 21 HG21 VAL 21 1.280 -5.966 5.461 118 HG22 VAL 21 HG22 VAL 21 -0.301 -6.657 5.095 119 HG23 VAL 21 HG23 VAL 21 0.735 -7.417 6.304 120 H CYS 22 H CYS 22 3.014 -6.073 3.102 121 HA CYS 22 HA CYS 22 4.455 -4.440 5.073 122 HB2 CYS 22 HB2 CYS 22 5.933 -5.558 3.247 123 HB3 CYS 22 HB3 CYS 22 5.222 -4.361 2.170 124 H GLY 23 H GLY 23 4.415 -2.115 4.568 125 HA2 GLY 23 HA2 GLY 23 3.404 -0.427 3.014 126 HA3 GLY 23 HA3 GLY 23 1.948 -1.409 3.101 127 H HIS 24 H HIS 24 0.602 -1.245 4.861 128 HA HIS 24 HA HIS 24 1.396 0.397 7.123 129 HB2 HIS 24 HB2 HIS 24 -1.033 1.133 5.480 130 HB3 HIS 24 HB3 HIS 24 -0.428 1.969 6.907 131 HD1 HIS 24 HD1 HIS 24 1.617 3.513 6.599 132 HD2 HIS 24 HD2 HIS 24 0.333 1.685 3.096 133 HE1 HIS 24 HE1 HIS 24 2.800 4.721 4.737 134 H PHE 25 H PHE 25 -0.763 0.681 8.547 135 HA PHE 25 HA PHE 25 -1.782 -2.053 8.875 136 HB2 PHE 25 HB2 PHE 25 -0.610 -1.168 10.816 137 HB3 PHE 25 HB3 PHE 25 -1.654 0.250 10.832 138 HD1 PHE 25 HD1 PHE 25 -1.635 -3.428 11.256 139 HD2 PHE 25 HD2 PHE 25 -3.697 0.226 11.971 140 HE1 PHE 25 HE1 PHE 25 -3.199 -4.606 12.745 141 HE2 PHE 25 HE2 PHE 25 -5.264 -0.946 13.462 142 HZ PHE 25 HZ PHE 25 -5.016 -3.365 13.851 143 H ARG 26 H ARG 26 -2.745 1.238 8.304 144 HA ARG 26 HA ARG 26 -5.551 0.729 8.776 145 HB2 ARG 26 HB2 ARG 26 -4.173 2.973 9.005 146 HB3 ARG 26 HB3 ARG 26 -4.581 3.139 7.302 147 HG2 ARG 26 HG2 ARG 26 -7.003 2.693 8.074 148 HG3 ARG 26 HG3 ARG 26 -6.391 3.099 9.679 149 HD2 ARG 26 HD2 ARG 26 -5.420 5.195 8.504 150 HD3 ARG 26 HD3 ARG 26 -6.585 4.817 7.236 151 HE ARG 26 HE ARG 26 -7.775 4.883 9.835 152 HH11 ARG 26 HH11 ARG 26 -6.718 6.848 7.162 153 HH12 ARG 26 HH12 ARG 26 -7.811 8.145 7.514 154 HH21 ARG 26 HH21 ARG 26 -9.218 6.585 10.309 155 HH22 ARG 26 HH22 ARG 26 -9.231 7.995 9.305 156 H TRP 27 H TRP 27 -3.773 1.888 5.906 157 HA TRP 27 HA TRP 27 -5.880 0.943 4.169 158 HB2 TRP 27 HB2 TRP 27 -3.208 2.075 3.337 159 HB3 TRP 27 HB3 TRP 27 -4.698 2.023 2.398 160 HD1 TRP 27 HD1 TRP 27 -6.781 3.340 4.208 161 HE1 TRP 27 HE1 TRP 27 -6.582 5.796 4.954 162 HE3 TRP 27 HE3 TRP 27 -1.754 3.989 3.536 163 HZ2 TRP 27 HZ2 TRP 27 -4.562 7.749 5.222 164 HZ3 TRP 27 HZ3 TRP 27 -0.768 6.181 4.060 165 HH2 TRP 27 HH2 TRP 27 -2.144 8.021 4.885 166 H GLY 28 H GLY 28 -2.346 0.457 4.014 167 HA2 GLY 28 HA2 GLY 28 -1.264 -1.655 3.998 168 HA3 GLY 28 HA3 GLY 28 -2.803 -2.410 3.609 169 H VAL 29 H VAL 29 -1.135 0.314 2.056 170 HA VAL 29 HA VAL 29 -0.817 -1.328 -0.360 171 HB VAL 29 HB VAL 29 -1.817 1.519 -0.427 172 HG11 VAL 29 HG11 VAL 29 -2.253 -0.223 -2.730 173 HG12 VAL 29 HG12 VAL 29 -1.628 1.426 -2.656 174 HG13 VAL 29 HG13 VAL 29 -0.551 0.059 -2.367 175 HG21 VAL 29 HG21 VAL 29 -3.251 -0.967 0.006 176 HG22 VAL 29 HG22 VAL 29 -3.811 0.699 0.149 177 HG23 VAL 29 HG23 VAL 29 -3.822 -0.103 -1.421 Start of MODEL 3 1 H1 CYS 1 H CYS 1 1.023 0.283 0.317 2 HA CYS 1 HA CYS 1 2.534 0.626 -1.950 3 HB2 CYS 1 HB2 CYS 1 3.325 -0.994 0.481 4 HB3 CYS 1 HB3 CYS 1 4.428 -0.265 -0.683 5 H GLY 2 H GLY 2 1.190 -2.349 -0.659 6 HA2 GLY 2 HA2 GLY 2 0.983 -4.443 -1.576 7 HA3 GLY 2 HA3 GLY 2 1.265 -3.681 -3.134 8 H GLU 3 H GLU 3 3.047 -4.694 -0.219 9 HA GLU 3 HA GLU 3 5.024 -5.982 -1.928 10 HB2 GLU 3 HB2 GLU 3 5.611 -3.708 -0.055 11 HB3 GLU 3 HB3 GLU 3 6.836 -4.918 -0.407 12 HG2 GLU 3 HG2 GLU 3 5.428 -3.251 -2.479 13 HG3 GLU 3 HG3 GLU 3 7.018 -2.895 -1.805 14 H THR 4 H THR 4 6.832 -6.880 -0.254 15 HA THR 4 HA THR 4 5.293 -8.323 1.803 16 HB THR 4 HB THR 4 7.554 -9.825 1.468 17 HG1 THR 4 HG1 THR 4 8.125 -9.837 -0.634 18 HG21 THR 4 HG21 THR 4 5.302 -10.712 1.590 19 HG22 THR 4 HG22 THR 4 6.110 -11.353 0.159 20 HG23 THR 4 HG23 THR 4 4.927 -10.056 -0.003 21 H CYS 5 H CYS 5 6.284 -8.760 3.814 22 HA CYS 5 HA CYS 5 8.824 -7.488 4.422 23 HB2 CYS 5 HB2 CYS 5 6.920 -5.782 4.707 24 HB3 CYS 5 HB3 CYS 5 6.426 -6.753 6.091 25 H VAL 6 H VAL 6 7.718 -10.208 4.372 26 HA VAL 6 HA VAL 6 7.090 -11.244 6.861 27 HB VAL 6 HB VAL 6 8.781 -12.570 4.736 28 HG11 VAL 6 HG11 VAL 6 8.902 -14.314 6.102 29 HG12 VAL 6 HG12 VAL 6 7.998 -13.432 7.335 30 HG13 VAL 6 HG13 VAL 6 7.141 -14.402 6.136 31 HG21 VAL 6 HG21 VAL 6 5.870 -12.073 5.002 32 HG22 VAL 6 HG22 VAL 6 6.875 -12.171 3.556 33 HG23 VAL 6 HG23 VAL 6 6.373 -13.646 4.383 34 H GLY 7 H GLY 7 10.235 -10.401 5.518 35 HA2 GLY 7 HA2 GLY 7 11.671 -11.510 7.774 36 HA3 GLY 7 HA3 GLY 7 12.366 -10.619 6.428 37 H GLY 8 H GLY 8 10.008 -8.634 7.191 38 HA2 GLY 8 HA2 GLY 8 9.706 -6.902 8.733 39 HA3 GLY 8 HA3 GLY 8 11.116 -7.472 9.615 40 H THR 9 H THR 9 11.805 -7.267 6.347 41 HA THR 9 HA THR 9 13.087 -4.644 6.741 42 HB THR 9 HB THR 9 14.803 -6.241 6.423 43 HG1 THR 9 HG1 THR 9 14.463 -5.336 3.768 44 HG21 THR 9 HG21 THR 9 14.540 -7.520 4.034 45 HG22 THR 9 HG22 THR 9 12.866 -7.471 4.588 46 HG23 THR 9 HG23 THR 9 14.107 -8.217 5.594 47 H CYS 10 H CYS 10 11.329 -3.417 6.004 48 HA CYS 10 HA CYS 10 11.129 -3.278 3.110 49 HB2 CYS 10 HB2 CYS 10 9.310 -4.849 3.960 50 HB3 CYS 10 HB3 CYS 10 8.597 -3.441 4.742 51 H ASN 11 H ASN 11 12.417 -1.503 4.693 52 HA ASN 11 HA ASN 11 10.611 0.695 5.304 53 HB2 ASN 11 HB2 ASN 11 13.596 0.359 5.648 54 HB3 ASN 11 HB3 ASN 11 12.725 1.832 6.065 55 HD21 ASN 11 HD21 ASN 11 13.778 1.229 8.164 56 HD22 ASN 11 HD22 ASN 11 12.870 0.223 9.235 57 H THR 12 H THR 12 9.997 1.995 3.715 58 HA THR 12 HA THR 12 12.001 2.838 1.733 59 HB THR 12 HB THR 12 9.626 2.984 0.337 60 HG1 THR 12 HG1 THR 12 8.893 1.512 2.182 61 HG21 THR 12 HG21 THR 12 11.177 0.478 0.053 62 HG22 THR 12 HG22 THR 12 12.081 1.986 -0.092 63 HG23 THR 12 HG23 THR 12 10.715 1.670 -1.162 64 HA PRO 13 HA PRO 13 10.715 6.962 2.510 65 HB2 PRO 13 HB2 PRO 13 10.923 8.092 0.050 66 HB3 PRO 13 HB3 PRO 13 12.329 7.636 1.020 67 HG2 PRO 13 HG2 PRO 13 11.035 6.170 -1.247 68 HG3 PRO 13 HG3 PRO 13 12.759 6.419 -0.915 69 HD2 PRO 13 HD2 PRO 13 11.483 4.105 -0.327 70 HD3 PRO 13 HD3 PRO 13 12.833 4.724 0.645 71 H GLY 14 H GLY 14 8.500 6.442 3.038 72 HA2 GLY 14 HA2 GLY 14 6.405 7.639 2.567 73 HA3 GLY 14 HA3 GLY 14 6.630 7.203 0.880 74 H CYS 15 H CYS 15 7.595 4.624 2.713 75 HA CYS 15 HA CYS 15 4.906 3.454 2.847 76 HB2 CYS 15 HB2 CYS 15 7.254 2.475 1.282 77 HB3 CYS 15 HB3 CYS 15 6.193 1.286 2.031 78 H THR 16 H THR 16 4.649 1.787 4.368 79 HA THR 16 HA THR 16 6.852 1.564 6.314 80 HB THR 16 HB THR 16 4.421 0.894 7.595 81 HG1 THR 16 HG1 THR 16 3.065 2.506 7.098 82 HG21 THR 16 HG21 THR 16 5.576 3.574 8.052 83 HG22 THR 16 HG22 THR 16 6.689 2.216 8.214 84 HG23 THR 16 HG23 THR 16 5.226 2.280 9.197 85 H CYS 17 H CYS 17 6.285 -0.427 7.854 86 HA CYS 17 HA CYS 17 6.016 -2.728 6.051 87 HB2 CYS 17 HB2 CYS 17 8.124 -2.604 7.280 88 HB3 CYS 17 HB3 CYS 17 7.250 -2.528 8.806 89 H SER 18 H SER 18 4.635 -4.425 6.499 90 HA SER 18 HA SER 18 2.878 -4.199 8.827 91 HB2 SER 18 HB2 SER 18 1.824 -3.047 6.823 92 HB3 SER 18 HB3 SER 18 1.751 -4.635 6.058 93 HG SER 18 HG SER 18 0.107 -5.122 7.272 94 H TRP 19 H TRP 19 4.813 -6.003 8.793 95 HA TRP 19 HA TRP 19 4.778 -8.374 7.574 96 HB2 TRP 19 HB2 TRP 19 6.182 -7.800 9.553 97 HB3 TRP 19 HB3 TRP 19 4.797 -8.133 10.590 98 HD1 TRP 19 HD1 TRP 19 7.658 -9.814 8.858 99 HE1 TRP 19 HE1 TRP 19 7.557 -12.353 9.269 100 HE3 TRP 19 HE3 TRP 19 2.973 -10.124 10.880 101 HZ2 TRP 19 HZ2 TRP 19 5.733 -14.238 10.312 102 HZ3 TRP 19 HZ3 TRP 19 2.124 -12.333 11.557 103 HH2 TRP 19 HH2 TRP 19 3.477 -14.346 11.278 104 HA PRO 20 HA PRO 20 4.814 -10.535 7.591 105 HB2 PRO 20 HB2 PRO 20 3.588 -12.037 5.690 106 HB3 PRO 20 HB3 PRO 20 3.744 -12.556 7.372 107 HG2 PRO 20 HG2 PRO 20 1.401 -11.315 5.983 108 HG3 PRO 20 HG3 PRO 20 1.435 -12.670 7.125 109 HD2 PRO 20 HD2 PRO 20 0.742 -10.159 7.864 110 HD3 PRO 20 HD3 PRO 20 1.569 -11.284 8.961 111 H VAL 21 H VAL 21 2.069 -9.251 5.744 112 HA VAL 21 HA VAL 21 3.514 -8.745 3.362 113 HB VAL 21 HB VAL 21 1.630 -7.429 2.650 114 HG11 VAL 21 HG11 VAL 21 0.350 -9.566 4.304 115 HG12 VAL 21 HG12 VAL 21 0.016 -9.085 2.639 116 HG13 VAL 21 HG13 VAL 21 1.479 -9.995 3.019 117 HG21 VAL 21 HG21 VAL 21 -0.224 -6.899 4.204 118 HG22 VAL 21 HG22 VAL 21 0.765 -7.487 5.540 119 HG23 VAL 21 HG23 VAL 21 1.280 -6.075 4.617 120 H CYS 22 H CYS 22 3.113 -6.189 2.620 121 HA CYS 22 HA CYS 22 4.498 -4.546 4.628 122 HB2 CYS 22 HB2 CYS 22 6.103 -5.429 2.925 123 HB3 CYS 22 HB3 CYS 22 5.179 -4.592 1.682 124 H GLY 23 H GLY 23 4.159 -2.283 4.458 125 HA2 GLY 23 HA2 GLY 23 2.982 -0.683 2.723 126 HA3 GLY 23 HA3 GLY 23 1.591 -1.634 3.221 127 H HIS 24 H HIS 24 0.627 -1.239 5.169 128 HA HIS 24 HA HIS 24 1.897 0.577 7.056 129 HB2 HIS 24 HB2 HIS 24 -0.840 1.213 5.948 130 HB3 HIS 24 HB3 HIS 24 0.113 2.183 7.067 131 HD1 HIS 24 HD1 HIS 24 1.820 3.768 6.077 132 HD2 HIS 24 HD2 HIS 24 0.094 1.263 3.248 133 HE1 HIS 24 HE1 HIS 24 2.560 4.663 3.846 134 H PHE 25 H PHE 25 -0.203 1.111 8.706 135 HA PHE 25 HA PHE 25 -0.912 -1.576 9.655 136 HB2 PHE 25 HB2 PHE 25 0.379 -0.295 11.252 137 HB3 PHE 25 HB3 PHE 25 -0.734 1.062 11.121 138 HD1 PHE 25 HD1 PHE 25 -0.220 -2.288 12.491 139 HD2 PHE 25 HD2 PHE 25 -2.879 1.025 12.220 140 HE1 PHE 25 HE1 PHE 25 -1.544 -3.203 14.353 141 HE2 PHE 25 HE2 PHE 25 -4.206 0.116 14.082 142 HZ PHE 25 HZ PHE 25 -3.539 -2.000 15.151 143 H ARG 26 H ARG 26 -2.228 1.263 8.313 144 HA ARG 26 HA ARG 26 -4.926 0.631 9.271 145 HB2 ARG 26 HB2 ARG 26 -3.953 2.999 9.347 146 HB3 ARG 26 HB3 ARG 26 -4.144 3.010 7.599 147 HG2 ARG 26 HG2 ARG 26 -6.531 2.688 7.822 148 HG3 ARG 26 HG3 ARG 26 -6.371 2.568 9.576 149 HD2 ARG 26 HD2 ARG 26 -5.370 4.888 9.513 150 HD3 ARG 26 HD3 ARG 26 -5.887 4.970 7.829 151 HE ARG 26 HE ARG 26 -8.015 4.253 9.601 152 HH11 ARG 26 HH11 ARG 26 -6.187 6.922 8.314 153 HH12 ARG 26 HH12 ARG 26 -7.455 8.077 8.557 154 HH21 ARG 26 HH21 ARG 26 -9.692 5.764 9.925 155 HH22 ARG 26 HH22 ARG 26 -9.448 7.418 9.474 156 H TRP 27 H TRP 27 -3.580 1.790 6.178 157 HA TRP 27 HA TRP 27 -5.594 0.232 4.757 158 HB2 TRP 27 HB2 TRP 27 -3.541 2.089 3.552 159 HB3 TRP 27 HB3 TRP 27 -5.046 1.529 2.829 160 HD1 TRP 27 HD1 TRP 27 -7.057 2.191 5.170 161 HE1 TRP 27 HE1 TRP 27 -7.594 4.641 5.747 162 HE3 TRP 27 HE3 TRP 27 -2.928 4.426 3.146 163 HZ2 TRP 27 HZ2 TRP 27 -6.424 7.185 5.390 164 HZ3 TRP 27 HZ3 TRP 27 -2.714 6.872 3.306 165 HH2 TRP 27 HH2 TRP 27 -4.426 8.221 4.405 166 H GLY 28 H GLY 28 -2.142 0.864 4.103 167 HA2 GLY 28 HA2 GLY 28 -0.423 -0.620 3.661 168 HA3 GLY 28 HA3 GLY 28 -1.502 -1.939 4.089 169 H VAL 29 H VAL 29 -0.757 0.371 1.507 170 HA VAL 29 HA VAL 29 -1.261 -1.731 -0.452 171 HB VAL 29 HB VAL 29 -2.536 0.993 -0.727 172 HG11 VAL 29 HG11 VAL 29 -2.562 -1.482 -2.437 173 HG12 VAL 29 HG12 VAL 29 -3.735 -0.176 -2.616 174 HG13 VAL 29 HG13 VAL 29 -2.018 0.137 -2.874 175 HG21 VAL 29 HG21 VAL 29 -4.679 -0.222 -0.459 176 HG22 VAL 29 HG22 VAL 29 -3.769 -1.667 -0.019 177 HG23 VAL 29 HG23 VAL 29 -3.689 -0.231 1.001 Start of MODEL 4 1 H1 CYS 1 H CYS 1 1.221 -0.303 0.767 2 HA CYS 1 HA CYS 1 1.884 0.448 -1.728 3 HB2 CYS 1 HB2 CYS 1 3.427 -0.873 0.443 4 HB3 CYS 1 HB3 CYS 1 4.190 -0.787 -1.141 5 H GLY 2 H GLY 2 1.271 -2.813 -0.695 6 HA2 GLY 2 HA2 GLY 2 0.690 -4.585 -2.116 7 HA3 GLY 2 HA3 GLY 2 1.353 -3.687 -3.473 8 H GLU 3 H GLU 3 2.826 -4.631 -0.378 9 HA GLU 3 HA GLU 3 4.612 -6.460 -1.784 10 HB2 GLU 3 HB2 GLU 3 5.448 -3.936 -0.415 11 HB3 GLU 3 HB3 GLU 3 6.510 -5.335 -0.349 12 HG2 GLU 3 HG2 GLU 3 7.276 -4.129 -2.178 13 HG3 GLU 3 HG3 GLU 3 6.287 -5.402 -2.892 14 H THR 4 H THR 4 6.261 -7.326 0.020 15 HA THR 4 HA THR 4 4.894 -7.709 2.570 16 HB THR 4 HB THR 4 3.983 -9.565 1.420 17 HG1 THR 4 HG1 THR 4 5.154 -11.346 2.444 18 HG21 THR 4 HG21 THR 4 5.306 -9.617 -0.569 19 HG22 THR 4 HG22 THR 4 5.463 -11.194 0.203 20 HG23 THR 4 HG23 THR 4 6.763 -10.012 0.340 21 H CYS 5 H CYS 5 6.258 -8.052 4.261 22 HA CYS 5 HA CYS 5 9.110 -8.443 3.644 23 HB2 CYS 5 HB2 CYS 5 9.321 -6.959 5.856 24 HB3 CYS 5 HB3 CYS 5 9.260 -6.245 4.247 25 H VAL 6 H VAL 6 8.644 -10.691 4.123 26 HA VAL 6 HA VAL 6 7.651 -11.593 6.591 27 HB VAL 6 HB VAL 6 9.643 -13.036 4.840 28 HG11 VAL 6 HG11 VAL 6 9.478 -14.272 6.794 29 HG12 VAL 6 HG12 VAL 6 7.775 -13.869 7.025 30 HG13 VAL 6 HG13 VAL 6 8.249 -15.012 5.768 31 HG21 VAL 6 HG21 VAL 6 7.251 -14.081 4.155 32 HG22 VAL 6 HG22 VAL 6 6.793 -12.403 4.445 33 HG23 VAL 6 HG23 VAL 6 8.047 -12.784 3.265 34 H GLY 7 H GLY 7 10.633 -10.154 5.779 35 HA2 GLY 7 HA2 GLY 7 11.846 -11.147 8.281 36 HA3 GLY 7 HA3 GLY 7 12.764 -10.603 6.885 37 H GLY 8 H GLY 8 10.116 -8.614 7.316 38 HA2 GLY 8 HA2 GLY 8 9.847 -6.489 8.148 39 HA3 GLY 8 HA3 GLY 8 10.991 -6.926 9.409 40 H THR 9 H THR 9 11.166 -6.423 5.881 41 HA THR 9 HA THR 9 13.094 -4.278 6.291 42 HB THR 9 HB THR 9 14.631 -6.081 6.170 43 HG1 THR 9 HG1 THR 9 15.620 -4.778 4.818 44 HG21 THR 9 HG21 THR 9 14.283 -7.394 3.762 45 HG22 THR 9 HG22 THR 9 12.640 -7.224 4.381 46 HG23 THR 9 HG23 THR 9 13.872 -8.024 5.357 47 H CYS 10 H CYS 10 11.092 -3.233 5.456 48 HA CYS 10 HA CYS 10 11.294 -2.958 2.569 49 HB2 CYS 10 HB2 CYS 10 8.974 -3.318 2.119 50 HB3 CYS 10 HB3 CYS 10 9.547 -4.717 3.021 51 H ASN 11 H ASN 11 11.827 -1.363 5.024 52 HA ASN 11 HA ASN 11 9.879 0.671 5.276 53 HB2 ASN 11 HB2 ASN 11 12.808 0.533 5.978 54 HB3 ASN 11 HB3 ASN 11 11.846 1.978 6.272 55 HD21 ASN 11 HD21 ASN 11 13.165 -0.254 7.942 56 HD22 ASN 11 HD22 ASN 11 11.943 -0.647 9.098 57 H THR 12 H THR 12 9.554 2.530 4.189 58 HA THR 12 HA THR 12 11.551 3.494 2.301 59 HB THR 12 HB THR 12 9.428 3.766 0.679 60 HG1 THR 12 HG1 THR 12 7.969 2.221 0.951 61 HG21 THR 12 HG21 THR 12 11.208 1.335 0.883 62 HG22 THR 12 HG22 THR 12 11.557 2.825 0.006 63 HG23 THR 12 HG23 THR 12 10.250 1.769 -0.532 64 HA PRO 13 HA PRO 13 10.078 7.468 3.439 65 HB2 PRO 13 HB2 PRO 13 10.360 8.868 1.130 66 HB3 PRO 13 HB3 PRO 13 11.734 8.352 2.114 67 HG2 PRO 13 HG2 PRO 13 10.603 7.105 -0.361 68 HG3 PRO 13 HG3 PRO 13 12.299 7.370 0.083 69 HD2 PRO 13 HD2 PRO 13 11.081 4.967 0.351 70 HD3 PRO 13 HD3 PRO 13 12.361 5.517 1.452 71 H GLY 14 H GLY 14 7.852 6.574 3.689 72 HA2 GLY 14 HA2 GLY 14 5.760 7.926 3.199 73 HA3 GLY 14 HA3 GLY 14 6.057 7.477 1.527 74 H CYS 15 H CYS 15 7.032 4.906 3.305 75 HA CYS 15 HA CYS 15 4.371 3.708 3.540 76 HB2 CYS 15 HB2 CYS 15 5.764 3.239 1.292 77 HB3 CYS 15 HB3 CYS 15 6.469 1.996 2.320 78 H THR 16 H THR 16 4.434 1.605 4.697 79 HA THR 16 HA THR 16 6.745 1.370 6.501 80 HB THR 16 HB THR 16 4.947 0.725 8.282 81 HG1 THR 16 HG1 THR 16 3.388 2.634 6.918 82 HG21 THR 16 HG21 THR 16 5.069 2.888 9.194 83 HG22 THR 16 HG22 THR 16 5.127 3.648 7.603 84 HG23 THR 16 HG23 THR 16 6.519 2.746 8.201 85 H CYS 17 H CYS 17 6.440 -0.728 7.884 86 HA CYS 17 HA CYS 17 5.841 -2.878 5.980 87 HB2 CYS 17 HB2 CYS 17 8.136 -2.715 6.995 88 HB3 CYS 17 HB3 CYS 17 7.406 -3.060 8.559 89 H SER 18 H SER 18 4.768 -4.799 6.717 90 HA SER 18 HA SER 18 3.310 -4.658 9.226 91 HB2 SER 18 HB2 SER 18 1.991 -3.476 7.318 92 HB3 SER 18 HB3 SER 18 1.696 -5.113 6.732 93 HG SER 18 HG SER 18 0.756 -5.593 8.750 94 H TRP 19 H TRP 19 5.180 -6.422 8.969 95 HA TRP 19 HA TRP 19 5.074 -8.732 7.621 96 HB2 TRP 19 HB2 TRP 19 6.667 -8.235 9.464 97 HB3 TRP 19 HB3 TRP 19 5.400 -8.612 10.627 98 HD1 TRP 19 HD1 TRP 19 8.067 -10.215 8.547 99 HE1 TRP 19 HE1 TRP 19 8.018 -12.767 8.880 100 HE3 TRP 19 HE3 TRP 19 3.623 -10.623 11.040 101 HZ2 TRP 19 HZ2 TRP 19 6.320 -14.698 10.044 102 HZ3 TRP 19 HZ3 TRP 19 2.857 -12.858 11.728 103 HH2 TRP 19 HH2 TRP 19 4.179 -14.852 11.238 104 HA PRO 20 HA PRO 20 5.151 -10.892 7.534 105 HB2 PRO 20 HB2 PRO 20 3.769 -12.334 5.696 106 HB3 PRO 20 HB3 PRO 20 4.099 -12.925 7.329 107 HG2 PRO 20 HG2 PRO 20 1.609 -11.673 6.235 108 HG3 PRO 20 HG3 PRO 20 1.779 -13.078 7.304 109 HD2 PRO 20 HD2 PRO 20 1.120 -10.618 8.224 110 HD3 PRO 20 HD3 PRO 20 2.071 -11.772 9.181 111 H VAL 21 H VAL 21 2.213 -9.595 6.022 112 HA VAL 21 HA VAL 21 3.400 -8.953 3.536 113 HB VAL 21 HB VAL 21 1.436 -7.666 3.065 114 HG11 VAL 21 HG11 VAL 21 -0.289 -9.286 3.438 115 HG12 VAL 21 HG12 VAL 21 1.229 -10.148 3.181 116 HG13 VAL 21 HG13 VAL 21 0.581 -9.968 4.812 117 HG21 VAL 21 HG21 VAL 21 1.298 -6.344 5.078 118 HG22 VAL 21 HG22 VAL 21 -0.240 -7.167 4.819 119 HG23 VAL 21 HG23 VAL 21 0.890 -7.771 6.030 120 H CYS 22 H CYS 22 2.838 -6.351 2.993 121 HA CYS 22 HA CYS 22 4.150 -4.662 4.958 122 HB2 CYS 22 HB2 CYS 22 5.488 -5.682 2.558 123 HB3 CYS 22 HB3 CYS 22 5.535 -3.927 2.693 124 H GLY 23 H GLY 23 3.971 -2.394 4.480 125 HA2 GLY 23 HA2 GLY 23 3.086 -0.951 2.476 126 HA3 GLY 23 HA3 GLY 23 1.610 -1.836 2.837 127 H HIS 24 H HIS 24 0.481 -1.402 4.746 128 HA HIS 24 HA HIS 24 1.468 0.693 6.504 129 HB2 HIS 24 HB2 HIS 24 -1.161 1.001 5.039 130 HB3 HIS 24 HB3 HIS 24 -0.484 2.118 6.221 131 HD1 HIS 24 HD1 HIS 24 1.480 3.623 5.440 132 HD2 HIS 24 HD2 HIS 24 -0.103 1.192 2.465 133 HE1 HIS 24 HE1 HIS 24 2.403 4.518 3.278 134 H PHE 25 H PHE 25 -0.644 1.239 8.024 135 HA PHE 25 HA PHE 25 -1.466 -1.398 9.039 136 HB2 PHE 25 HB2 PHE 25 -0.031 -0.118 10.573 137 HB3 PHE 25 HB3 PHE 25 -1.177 1.217 10.533 138 HD1 PHE 25 HD2 PHE 25 -3.298 1.074 11.693 139 HD2 PHE 25 HD1 PHE 25 -0.503 -2.134 11.809 140 HE1 PHE 25 HE2 PHE 25 -4.520 0.082 13.584 141 HE2 PHE 25 HE1 PHE 25 -1.721 -3.132 13.699 142 HZ PHE 25 HZ PHE 25 -3.731 -2.023 14.590 143 H ARG 26 H ARG 26 -2.568 1.688 7.933 144 HA ARG 26 HA ARG 26 -5.280 1.271 8.888 145 HB2 ARG 26 HB2 ARG 26 -3.718 3.512 7.939 146 HB3 ARG 26 HB3 ARG 26 -5.257 3.425 7.094 147 HG2 ARG 26 HG2 ARG 26 -6.277 3.176 9.451 148 HG3 ARG 26 HG3 ARG 26 -4.727 3.808 10.010 149 HD2 ARG 26 HD2 ARG 26 -6.284 5.202 7.862 150 HD3 ARG 26 HD3 ARG 26 -6.655 5.462 9.566 151 HE ARG 26 HE ARG 26 -3.876 5.805 8.957 152 HH11 ARG 26 HH11 ARG 26 -6.994 7.353 8.967 153 HH12 ARG 26 HH12 ARG 26 -6.344 8.955 9.082 154 HH21 ARG 26 HH21 ARG 26 -3.008 7.909 9.109 155 HH22 ARG 26 HH22 ARG 26 -4.076 9.270 9.162 156 H TRP 27 H TRP 27 -3.963 2.081 5.673 157 HA TRP 27 HA TRP 27 -6.224 0.914 4.352 158 HB2 TRP 27 HB2 TRP 27 -3.620 1.744 3.070 159 HB3 TRP 27 HB3 TRP 27 -5.208 1.632 2.316 160 HD1 TRP 27 HD1 TRP 27 -7.040 3.356 3.995 161 HE1 TRP 27 HE1 TRP 27 -6.648 5.876 4.344 162 HE3 TRP 27 HE3 TRP 27 -2.041 3.553 2.941 163 HZ2 TRP 27 HZ2 TRP 27 -4.503 7.705 4.192 164 HZ3 TRP 27 HZ3 TRP 27 -0.895 5.727 3.065 165 HH2 TRP 27 HH2 TRP 27 -2.102 7.758 3.678 166 H GLY 28 H GLY 28 -2.752 0.211 3.905 167 HA2 GLY 28 HA2 GLY 28 -1.846 -1.999 4.252 168 HA3 GLY 28 HA3 GLY 28 -3.432 -2.657 3.878 169 H VAL 29 H VAL 29 -1.681 -0.164 2.089 170 HA VAL 29 HA VAL 29 -1.155 -2.065 -0.072 171 HB VAL 29 HB VAL 29 -1.989 -0.328 -1.727 172 HG11 VAL 29 HG11 VAL 29 -3.807 -1.907 0.062 173 HG12 VAL 29 HG12 VAL 29 -4.431 -1.000 -1.317 174 HG13 VAL 29 HG13 VAL 29 -3.251 -2.287 -1.568 175 HG21 VAL 29 HG21 VAL 29 -2.338 1.188 0.572 176 HG22 VAL 29 HG22 VAL 29 -2.931 1.573 -1.044 177 HG23 VAL 29 HG23 VAL 29 -3.973 0.726 0.099 Start of MODEL 5 1 H1 CYS 1 H CYS 1 1.914 -1.287 0.300 2 HA CYS 1 HA CYS 1 1.832 0.586 -1.974 3 HB2 CYS 1 HB2 CYS 1 4.114 -0.784 -0.590 4 HB3 CYS 1 HB3 CYS 1 4.270 -0.305 -2.277 5 H GLY 2 H GLY 2 1.955 -2.760 -0.967 6 HA2 GLY 2 HA2 GLY 2 0.748 -4.330 -2.428 7 HA3 GLY 2 HA3 GLY 2 1.539 -3.545 -3.786 8 H GLU 3 H GLU 3 2.905 -4.612 -0.690 9 HA GLU 3 HA GLU 3 4.325 -6.777 -2.012 10 HB2 GLU 3 HB2 GLU 3 5.829 -4.603 -0.548 11 HB3 GLU 3 HB3 GLU 3 6.523 -6.028 -1.308 12 HG2 GLU 3 HG2 GLU 3 5.865 -5.223 -3.492 13 HG3 GLU 3 HG3 GLU 3 5.075 -3.827 -2.762 14 H THR 4 H THR 4 6.052 -7.566 -0.136 15 HA THR 4 HA THR 4 4.668 -7.620 2.438 16 HB THR 4 HB THR 4 3.704 -9.559 1.535 17 HG1 THR 4 HG1 THR 4 4.769 -11.245 2.702 18 HG21 THR 4 HG21 THR 4 5.471 -11.322 0.563 19 HG22 THR 4 HG22 THR 4 6.300 -9.826 0.134 20 HG23 THR 4 HG23 THR 4 4.663 -10.125 -0.447 21 H CYS 5 H CYS 5 6.048 -7.524 4.097 22 HA CYS 5 HA CYS 5 8.898 -8.014 3.543 23 HB2 CYS 5 HB2 CYS 5 9.291 -6.498 5.519 24 HB3 CYS 5 HB3 CYS 5 8.568 -5.718 4.115 25 H VAL 6 H VAL 6 8.097 -10.322 3.965 26 HA VAL 6 HA VAL 6 7.317 -11.235 6.470 27 HB VAL 6 HB VAL 6 9.125 -12.676 4.525 28 HG11 VAL 6 HG11 VAL 6 9.209 -14.115 6.261 29 HG12 VAL 6 HG12 VAL 6 7.758 -13.454 7.018 30 HG13 VAL 6 HG13 VAL 6 7.615 -14.589 5.675 31 HG21 VAL 6 HG21 VAL 6 6.115 -12.567 4.696 32 HG22 VAL 6 HG22 VAL 6 7.122 -11.927 3.397 33 HG23 VAL 6 HG23 VAL 6 7.029 -13.668 3.664 34 H GLY 7 H GLY 7 10.430 -10.168 5.350 35 HA2 GLY 7 HA2 GLY 7 11.863 -11.324 7.589 36 HA3 GLY 7 HA3 GLY 7 12.536 -10.288 6.339 37 H GLY 8 H GLY 8 10.079 -8.478 7.024 38 HA2 GLY 8 HA2 GLY 8 9.542 -6.895 8.671 39 HA3 GLY 8 HA3 GLY 8 10.925 -7.436 9.610 40 H THR 9 H THR 9 11.215 -6.646 6.228 41 HA THR 9 HA THR 9 12.523 -4.107 6.943 42 HB THR 9 HB THR 9 14.353 -5.552 6.527 43 HG1 THR 9 HG1 THR 9 14.975 -4.756 4.281 44 HG21 THR 9 HG21 THR 9 14.186 -6.592 3.995 45 HG22 THR 9 HG22 THR 9 12.530 -6.757 4.581 46 HG23 THR 9 HG23 THR 9 13.862 -7.479 5.484 47 H CYS 10 H CYS 10 10.967 -2.739 6.209 48 HA CYS 10 HA CYS 10 10.632 -2.581 3.328 49 HB2 CYS 10 HB2 CYS 10 8.661 -3.825 4.863 50 HB3 CYS 10 HB3 CYS 10 8.051 -2.194 4.601 51 H ASN 11 H ASN 11 11.769 -1.057 5.694 52 HA ASN 11 HA ASN 11 10.210 1.310 5.979 53 HB2 ASN 11 HB2 ASN 11 13.158 0.881 6.514 54 HB3 ASN 11 HB3 ASN 11 12.192 2.236 7.090 55 HD21 ASN 11 HD21 ASN 11 13.566 -0.505 8.059 56 HD22 ASN 11 HD22 ASN 11 12.487 -0.976 9.324 57 H THR 12 H THR 12 9.743 1.909 3.814 58 HA THR 12 HA THR 12 12.027 3.003 2.312 59 HB THR 12 HB THR 12 9.956 3.082 0.536 60 HG1 THR 12 HG1 THR 12 9.114 0.815 0.807 61 HG21 THR 12 HG21 THR 12 10.948 0.845 -0.277 62 HG22 THR 12 HG22 THR 12 12.053 1.005 1.088 63 HG23 THR 12 HG23 THR 12 12.020 2.240 -0.170 64 HA PRO 13 HA PRO 13 10.585 7.123 2.769 65 HB2 PRO 13 HB2 PRO 13 11.135 8.191 0.334 66 HB3 PRO 13 HB3 PRO 13 12.390 7.786 1.511 67 HG2 PRO 13 HG2 PRO 13 11.462 6.237 -0.876 68 HG3 PRO 13 HG3 PRO 13 13.115 6.526 -0.304 69 HD2 PRO 13 HD2 PRO 13 11.799 4.206 0.159 70 HD3 PRO 13 HD3 PRO 13 12.984 4.874 1.299 71 H GLY 14 H GLY 14 8.317 6.350 2.923 72 HA2 GLY 14 HA2 GLY 14 6.321 7.638 2.066 73 HA3 GLY 14 HA3 GLY 14 6.771 7.002 0.491 74 H CYS 15 H CYS 15 7.481 4.647 2.676 75 HA CYS 15 HA CYS 15 4.791 3.533 2.826 76 HB2 CYS 15 HB2 CYS 15 6.363 2.832 0.703 77 HB3 CYS 15 HB3 CYS 15 6.777 1.582 1.871 78 H THR 16 H THR 16 4.633 1.704 4.265 79 HA THR 16 HA THR 16 6.905 1.475 6.127 80 HB THR 16 HB THR 16 4.270 1.033 7.332 81 HG1 THR 16 HG1 THR 16 4.927 3.491 6.114 82 HG21 THR 16 HG21 THR 16 5.478 1.479 9.151 83 HG22 THR 16 HG22 THR 16 5.861 3.090 8.544 84 HG23 THR 16 HG23 THR 16 6.886 1.720 8.116 85 H CYS 17 H CYS 17 6.678 -0.501 7.567 86 HA CYS 17 HA CYS 17 6.056 -2.781 5.857 87 HB2 CYS 17 HB2 CYS 17 8.265 -2.660 6.968 88 HB3 CYS 17 HB3 CYS 17 7.462 -2.694 8.535 89 H SER 18 H SER 18 4.712 -4.481 6.474 90 HA SER 18 HA SER 18 3.141 -4.187 8.916 91 HB2 SER 18 HB2 SER 18 1.879 -2.964 7.177 92 HB3 SER 18 HB3 SER 18 1.861 -4.419 6.181 93 HG SER 18 HG SER 18 0.043 -3.803 7.835 94 H TRP 19 H TRP 19 4.976 -6.058 8.760 95 HA TRP 19 HA TRP 19 4.753 -8.419 7.517 96 HB2 TRP 19 HB2 TRP 19 6.332 -7.861 9.397 97 HB3 TRP 19 HB3 TRP 19 5.035 -8.254 10.522 98 HD1 TRP 19 HD1 TRP 19 7.689 -9.844 8.367 99 HE1 TRP 19 HE1 TRP 19 7.667 -12.393 8.722 100 HE3 TRP 19 HE3 TRP 19 3.354 -10.253 11.046 101 HZ2 TRP 19 HZ2 TRP 19 6.028 -14.322 9.971 102 HZ3 TRP 19 HZ3 TRP 19 2.629 -12.486 11.783 103 HH2 TRP 19 HH2 TRP 19 3.940 -14.477 11.255 104 HA PRO 20 HA PRO 20 4.709 -10.579 7.523 105 HB2 PRO 20 HB2 PRO 20 3.256 -12.023 5.741 106 HB3 PRO 20 HB3 PRO 20 3.548 -12.558 7.400 107 HG2 PRO 20 HG2 PRO 20 1.134 -11.222 6.239 108 HG3 PRO 20 HG3 PRO 20 1.223 -12.585 7.369 109 HD2 PRO 20 HD2 PRO 20 0.697 -10.054 8.177 110 HD3 PRO 20 HD3 PRO 20 1.579 -11.215 9.189 111 H VAL 21 H VAL 21 1.858 -9.164 5.958 112 HA VAL 21 HA VAL 21 3.064 -8.714 3.441 113 HB VAL 21 HB VAL 21 1.197 -7.296 2.934 114 HG11 VAL 21 HG11 VAL 21 0.704 -9.660 2.974 115 HG12 VAL 21 HG12 VAL 21 0.365 -9.592 4.705 116 HG13 VAL 21 HG13 VAL 21 -0.692 -8.758 3.564 117 HG21 VAL 21 HG21 VAL 21 -0.418 -6.602 4.660 118 HG22 VAL 21 HG22 VAL 21 0.633 -7.287 5.899 119 HG23 VAL 21 HG23 VAL 21 1.185 -5.920 4.932 120 H CYS 22 H CYS 22 2.719 -6.119 2.768 121 HA CYS 22 HA CYS 22 4.225 -4.478 4.652 122 HB2 CYS 22 HB2 CYS 22 6.010 -5.441 3.378 123 HB3 CYS 22 HB3 CYS 22 5.162 -5.156 1.862 124 H GLY 23 H GLY 23 3.826 -2.303 4.475 125 HA2 GLY 23 HA2 GLY 23 3.044 -0.723 2.467 126 HA3 GLY 23 HA3 GLY 23 1.551 -1.582 2.815 127 H HIS 24 H HIS 24 0.454 -1.187 4.746 128 HA HIS 24 HA HIS 24 1.530 0.800 6.578 129 HB2 HIS 24 HB2 HIS 24 -1.119 1.241 5.188 130 HB3 HIS 24 HB3 HIS 24 -0.371 2.296 6.384 131 HD1 HIS 24 HD1 HIS 24 1.339 3.966 5.559 132 HD2 HIS 24 HD2 HIS 24 0.151 1.276 2.625 133 HE1 HIS 24 HE1 HIS 24 2.300 4.849 3.409 134 H PHE 25 H PHE 25 -0.321 1.285 8.288 135 HA PHE 25 HA PHE 25 -1.181 -1.346 9.229 136 HB2 PHE 25 HB2 PHE 25 0.106 -0.102 10.832 137 HB3 PHE 25 HB3 PHE 25 -0.913 1.319 10.627 138 HD1 PHE 25 HD2 PHE 25 -0.796 -2.112 11.969 139 HD2 PHE 25 HD1 PHE 25 -2.933 1.566 11.829 140 HE1 PHE 25 HE2 PHE 25 -2.218 -2.872 13.828 141 HE2 PHE 25 HE1 PHE 25 -4.358 0.813 13.688 142 HZ PHE 25 HZ PHE 25 -4.002 -1.409 14.689 143 H ARG 26 H ARG 26 -2.435 1.670 8.076 144 HA ARG 26 HA ARG 26 -5.132 1.125 8.994 145 HB2 ARG 26 HB2 ARG 26 -3.689 3.405 7.863 146 HB3 ARG 26 HB3 ARG 26 -5.311 3.219 7.208 147 HG2 ARG 26 HG2 ARG 26 -4.992 3.046 10.149 148 HG3 ARG 26 HG3 ARG 26 -4.820 4.630 9.391 149 HD2 ARG 26 HD2 ARG 26 -7.005 4.682 8.687 150 HD3 ARG 26 HD3 ARG 26 -7.142 2.925 8.639 151 HE ARG 26 HE ARG 26 -7.902 2.990 10.785 152 HH11 ARG 26 HH11 ARG 26 -6.137 5.923 10.148 153 HH12 ARG 26 HH12 ARG 26 -6.514 6.637 11.681 154 HH21 ARG 26 HH21 ARG 26 -8.404 3.919 12.807 155 HH22 ARG 26 HH22 ARG 26 -7.803 5.496 13.193 156 H TRP 27 H TRP 27 -3.702 1.778 5.789 157 HA TRP 27 HA TRP 27 -5.918 0.456 4.484 158 HB2 TRP 27 HB2 TRP 27 -3.394 1.485 3.185 159 HB3 TRP 27 HB3 TRP 27 -4.962 1.211 2.431 160 HD1 TRP 27 HD1 TRP 27 -6.952 2.807 4.046 161 HE1 TRP 27 HE1 TRP 27 -6.788 5.359 4.338 162 HE3 TRP 27 HE3 TRP 27 -1.979 3.422 3.034 163 HZ2 TRP 27 HZ2 TRP 27 -4.812 7.367 4.162 164 HZ3 TRP 27 HZ3 TRP 27 -1.030 5.690 3.117 165 HH2 TRP 27 HH2 TRP 27 -2.419 7.621 3.669 166 H GLY 28 H GLY 28 -2.394 0.056 4.070 167 HA2 GLY 28 HA2 GLY 28 -1.304 -2.062 4.483 168 HA3 GLY 28 HA3 GLY 28 -2.820 -2.861 4.096 169 H VAL 29 H VAL 29 -0.939 -0.359 2.400 170 HA VAL 29 HA VAL 29 -0.334 -2.216 0.250 171 HB VAL 29 HB VAL 29 -2.412 -1.543 -0.607 172 HG11 VAL 29 HG11 VAL 29 -1.720 1.297 0.139 173 HG12 VAL 29 HG12 VAL 29 -3.201 0.767 -0.663 174 HG13 VAL 29 HG13 VAL 29 -2.858 0.253 0.990 175 HG21 VAL 29 HG21 VAL 29 -1.882 -0.350 -2.596 176 HG22 VAL 29 HG22 VAL 29 -0.508 0.446 -1.829 177 HG23 VAL 29 HG23 VAL 29 -0.452 -1.286 -2.158 Start of MODEL 6 1 H1 CYS 1 H CYS 1 1.414 -0.553 0.669 2 HA CYS 1 HA CYS 1 1.963 -0.038 -2.122 3 HB2 CYS 1 HB2 CYS 1 3.660 -1.303 0.040 4 HB3 CYS 1 HB3 CYS 1 4.223 -0.907 -1.580 5 H GLY 2 H GLY 2 1.222 -2.777 -0.078 6 HA2 GLY 2 HA2 GLY 2 0.536 -4.900 -0.660 7 HA3 GLY 2 HA3 GLY 2 0.577 -4.398 -2.344 8 H GLU 3 H GLU 3 3.341 -4.156 -0.208 9 HA GLU 3 HA GLU 3 4.756 -6.055 -1.931 10 HB2 GLU 3 HB2 GLU 3 5.466 -3.572 -0.828 11 HB3 GLU 3 HB3 GLU 3 6.425 -4.763 0.040 12 HG2 GLU 3 HG2 GLU 3 7.763 -4.153 -1.757 13 HG3 GLU 3 HG3 GLU 3 7.043 -5.682 -2.259 14 H THR 4 H THR 4 6.792 -6.877 -0.325 15 HA THR 4 HA THR 4 5.385 -8.512 1.679 16 HB THR 4 HB THR 4 7.785 -9.776 1.310 17 HG1 THR 4 HG1 THR 4 8.467 -8.673 -0.460 18 HG21 THR 4 HG21 THR 4 6.493 -11.377 -0.085 19 HG22 THR 4 HG22 THR 4 5.185 -10.197 -0.166 20 HG23 THR 4 HG23 THR 4 5.647 -10.896 1.385 21 H CYS 5 H CYS 5 6.155 -8.673 3.744 22 HA CYS 5 HA CYS 5 8.661 -7.342 4.433 23 HB2 CYS 5 HB2 CYS 5 6.483 -5.843 4.648 24 HB3 CYS 5 HB3 CYS 5 6.300 -6.734 6.156 25 H VAL 6 H VAL 6 7.758 -10.114 4.348 26 HA VAL 6 HA VAL 6 7.064 -11.180 6.814 27 HB VAL 6 HB VAL 6 8.904 -12.398 4.751 28 HG11 VAL 6 HG11 VAL 6 9.174 -14.045 6.221 29 HG12 VAL 6 HG12 VAL 6 8.005 -13.327 7.331 30 HG13 VAL 6 HG13 VAL 6 7.456 -14.398 6.041 31 HG21 VAL 6 HG21 VAL 6 6.680 -13.640 4.232 32 HG22 VAL 6 HG22 VAL 6 5.929 -12.252 5.020 33 HG23 VAL 6 HG23 VAL 6 6.938 -12.016 3.593 34 H GLY 7 H GLY 7 10.136 -9.964 5.685 35 HA2 GLY 7 HA2 GLY 7 11.525 -11.011 8.035 36 HA3 GLY 7 HA3 GLY 7 12.268 -10.191 6.670 37 H GLY 8 H GLY 8 9.694 -8.335 7.339 38 HA2 GLY 8 HA2 GLY 8 9.353 -6.380 8.500 39 HA3 GLY 8 HA3 GLY 8 10.466 -6.987 9.716 40 H THR 9 H THR 9 10.791 -6.032 6.296 41 HA THR 9 HA THR 9 12.736 -3.995 7.106 42 HB THR 9 HB THR 9 14.171 -5.820 6.552 43 HG1 THR 9 HG1 THR 9 15.362 -4.604 5.288 44 HG21 THR 9 HG21 THR 9 13.648 -6.390 3.845 45 HG22 THR 9 HG22 THR 9 12.095 -6.469 4.678 46 HG23 THR 9 HG23 THR 9 13.444 -7.461 5.231 47 H CYS 10 H CYS 10 10.575 -2.897 6.556 48 HA CYS 10 HA CYS 10 10.522 -2.288 3.672 49 HB2 CYS 10 HB2 CYS 10 8.308 -2.532 5.683 50 HB3 CYS 10 HB3 CYS 10 8.105 -1.503 4.270 51 H ASN 11 H ASN 11 12.357 -0.877 4.796 52 HA ASN 11 HA ASN 11 11.283 1.572 5.942 53 HB2 ASN 11 HB2 ASN 11 13.737 2.217 6.038 54 HB3 ASN 11 HB3 ASN 11 13.275 0.815 6.999 55 HD21 ASN 11 HD21 ASN 11 13.785 -1.281 6.190 56 HD22 ASN 11 HD22 ASN 11 15.114 -1.498 5.107 57 H THR 12 H THR 12 10.126 1.748 3.731 58 HA THR 12 HA THR 12 11.859 3.071 1.761 59 HB THR 12 HB THR 12 9.272 2.863 0.690 60 HG1 THR 12 HG1 THR 12 10.055 0.540 2.135 61 HG21 THR 12 HG21 THR 12 11.823 2.370 -0.102 62 HG22 THR 12 HG22 THR 12 10.391 1.924 -1.031 63 HG23 THR 12 HG23 THR 12 11.179 0.731 0.001 64 HA PRO 13 HA PRO 13 10.230 7.043 2.705 65 HB2 PRO 13 HB2 PRO 13 10.450 8.244 0.280 66 HB3 PRO 13 HB3 PRO 13 11.845 7.888 1.306 67 HG2 PRO 13 HG2 PRO 13 10.787 6.370 -1.047 68 HG3 PRO 13 HG3 PRO 13 12.466 6.759 -0.630 69 HD2 PRO 13 HD2 PRO 13 11.371 4.330 -0.148 70 HD3 PRO 13 HD3 PRO 13 12.617 5.040 0.898 71 H GLY 14 H GLY 14 8.050 6.497 3.153 72 HA2 GLY 14 HA2 GLY 14 5.887 7.462 2.597 73 HA3 GLY 14 HA3 GLY 14 6.220 7.087 0.913 74 H CYS 15 H CYS 15 7.308 4.549 2.736 75 HA CYS 15 HA CYS 15 4.718 3.160 2.681 76 HB2 CYS 15 HB2 CYS 15 6.297 2.686 0.672 77 HB3 CYS 15 HB3 CYS 15 7.239 1.760 1.836 78 H THR 16 H THR 16 4.372 1.701 4.304 79 HA THR 16 HA THR 16 6.480 1.536 6.357 80 HB THR 16 HB THR 16 3.735 0.865 7.182 81 HG1 THR 16 HG1 THR 16 4.419 3.561 6.548 82 HG21 THR 16 HG21 THR 16 4.954 1.087 9.060 83 HG22 THR 16 HG22 THR 16 4.679 2.816 8.843 84 HG23 THR 16 HG23 THR 16 6.174 2.080 8.265 85 H CYS 17 H CYS 17 5.865 -0.455 7.899 86 HA CYS 17 HA CYS 17 5.838 -2.793 6.122 87 HB2 CYS 17 HB2 CYS 17 7.822 -2.420 7.610 88 HB3 CYS 17 HB3 CYS 17 6.761 -2.645 8.997 89 H SER 18 H SER 18 4.456 -4.498 6.440 90 HA SER 18 HA SER 18 2.536 -4.334 8.645 91 HB2 SER 18 HB2 SER 18 1.733 -4.684 5.746 92 HB3 SER 18 HB3 SER 18 0.645 -4.722 7.134 93 HG SER 18 HG SER 18 2.191 -2.517 6.236 94 H TRP 19 H TRP 19 4.584 -6.062 8.693 95 HA TRP 19 HA TRP 19 4.648 -8.451 7.497 96 HB2 TRP 19 HB2 TRP 19 6.019 -7.799 9.474 97 HB3 TRP 19 HB3 TRP 19 4.640 -8.160 10.508 98 HD1 TRP 19 HD1 TRP 19 7.565 -9.775 8.822 99 HE1 TRP 19 HE1 TRP 19 7.546 -12.309 9.277 100 HE3 TRP 19 HE3 TRP 19 2.881 -10.205 10.825 101 HZ2 TRP 19 HZ2 TRP 19 5.779 -14.234 10.343 102 HZ3 TRP 19 HZ3 TRP 19 2.102 -12.428 11.537 103 HH2 TRP 19 HH2 TRP 19 3.523 -14.400 11.300 104 HA PRO 20 HA PRO 20 4.761 -10.611 7.553 105 HB2 PRO 20 HB2 PRO 20 3.602 -12.187 5.671 106 HB3 PRO 20 HB3 PRO 20 3.763 -12.672 7.363 107 HG2 PRO 20 HG2 PRO 20 1.389 -11.537 5.935 108 HG3 PRO 20 HG3 PRO 20 1.461 -12.871 7.102 109 HD2 PRO 20 HD2 PRO 20 0.676 -10.373 7.792 110 HD3 PRO 20 HD3 PRO 20 1.533 -11.449 8.914 111 H VAL 21 H VAL 21 1.997 -9.364 5.728 112 HA VAL 21 HA VAL 21 3.414 -8.889 3.315 113 HB VAL 21 HB VAL 21 1.509 -7.604 2.602 114 HG11 VAL 21 HG11 VAL 21 0.287 -9.746 4.299 115 HG12 VAL 21 HG12 VAL 21 -0.101 -9.274 2.644 116 HG13 VAL 21 HG13 VAL 21 1.385 -10.162 2.984 117 HG21 VAL 21 HG21 VAL 21 0.627 -7.659 5.487 118 HG22 VAL 21 HG22 VAL 21 1.189 -6.246 4.593 119 HG23 VAL 21 HG23 VAL 21 -0.322 -7.033 4.139 120 H CYS 22 H CYS 22 2.952 -6.336 2.558 121 HA CYS 22 HA CYS 22 4.337 -4.655 4.532 122 HB2 CYS 22 HB2 CYS 22 5.898 -5.591 2.761 123 HB3 CYS 22 HB3 CYS 22 5.004 -4.630 1.588 124 H GLY 23 H GLY 23 4.073 -2.354 4.195 125 HA2 GLY 23 HA2 GLY 23 2.872 -0.776 2.535 126 HA3 GLY 23 HA3 GLY 23 1.478 -1.766 2.940 127 H HIS 24 H HIS 24 0.343 -1.336 4.756 128 HA HIS 24 HA HIS 24 1.491 0.364 6.819 129 HB2 HIS 24 HB2 HIS 24 -1.085 1.151 5.448 130 HB3 HIS 24 HB3 HIS 24 -0.247 2.032 6.722 131 HD1 HIS 24 HD1 HIS 24 1.601 3.611 6.024 132 HD2 HIS 24 HD2 HIS 24 0.189 1.280 2.888 133 HE1 HIS 24 HE1 HIS 24 2.639 4.578 3.948 134 H PHE 25 H PHE 25 0.030 0.568 8.711 135 HA PHE 25 HA PHE 25 -1.230 -1.988 9.227 136 HB2 PHE 25 HB2 PHE 25 0.256 -0.989 10.913 137 HB3 PHE 25 HB3 PHE 25 -0.821 0.398 11.042 138 HD1 PHE 25 HD2 PHE 25 -0.460 -3.196 11.733 139 HD2 PHE 25 HD1 PHE 25 -2.821 0.296 12.322 140 HE1 PHE 25 HE2 PHE 25 -1.743 -4.362 13.480 141 HE2 PHE 25 HE1 PHE 25 -4.107 -0.864 14.070 142 HZ PHE 25 HZ PHE 25 -3.569 -3.196 14.650 143 H ARG 26 H ARG 26 -2.165 1.266 8.521 144 HA ARG 26 HA ARG 26 -4.893 0.901 9.433 145 HB2 ARG 26 HB2 ARG 26 -3.473 3.100 9.407 146 HB3 ARG 26 HB3 ARG 26 -3.996 3.197 7.731 147 HG2 ARG 26 HG2 ARG 26 -6.369 2.790 8.833 148 HG3 ARG 26 HG3 ARG 26 -5.558 3.503 10.229 149 HD2 ARG 26 HD2 ARG 26 -4.793 5.310 8.520 150 HD3 ARG 26 HD3 ARG 26 -6.135 4.703 7.552 151 HE ARG 26 HE ARG 26 -6.917 5.298 10.232 152 HH11 ARG 26 HH11 ARG 26 -6.278 6.702 7.111 153 HH12 ARG 26 HH12 ARG 26 -7.313 8.068 7.369 154 HH21 ARG 26 HH21 ARG 26 -8.282 7.092 10.584 155 HH22 ARG 26 HH22 ARG 26 -8.451 8.289 9.345 156 H TRP 27 H TRP 27 -3.451 1.803 6.294 157 HA TRP 27 HA TRP 27 -5.814 0.908 4.896 158 HB2 TRP 27 HB2 TRP 27 -3.199 1.784 3.667 159 HB3 TRP 27 HB3 TRP 27 -4.796 1.791 2.925 160 HD1 TRP 27 HD1 TRP 27 -6.546 3.376 4.850 161 HE1 TRP 27 HE1 TRP 27 -6.083 5.846 5.411 162 HE3 TRP 27 HE3 TRP 27 -1.592 3.577 3.604 163 HZ2 TRP 27 HZ2 TRP 27 -3.906 7.641 5.334 164 HZ3 TRP 27 HZ3 TRP 27 -0.392 5.709 3.877 165 HH2 TRP 27 HH2 TRP 27 -1.528 7.697 4.724 166 H GLY 28 H GLY 28 -2.368 0.152 4.343 167 HA2 GLY 28 HA2 GLY 28 -1.473 -2.063 4.392 168 HA3 GLY 28 HA3 GLY 28 -3.095 -2.689 4.135 169 H VAL 29 H VAL 29 -1.173 -0.244 2.400 170 HA VAL 29 HA VAL 29 -1.114 -1.974 0.048 171 HB VAL 29 HB VAL 29 -2.138 0.860 -0.131 172 HG11 VAL 29 HG11 VAL 29 -1.061 -0.903 -2.049 173 HG12 VAL 29 HG12 VAL 29 -2.797 -0.811 -2.351 174 HG13 VAL 29 HG13 VAL 29 -1.826 0.662 -2.319 175 HG21 VAL 29 HG21 VAL 29 -3.901 -0.244 0.910 176 HG22 VAL 29 HG22 VAL 29 -4.296 -0.385 -0.803 177 HG23 VAL 29 HG23 VAL 29 -3.590 -1.754 0.055 Start of MODEL 7 1 H1 CYS 1 H CYS 1 1.718 0.424 1.004 2 HA CYS 1 HA CYS 1 2.241 1.027 -1.522 3 HB2 CYS 1 HB2 CYS 1 3.768 -0.355 0.550 4 HB3 CYS 1 HB3 CYS 1 4.316 -0.748 -1.076 5 H GLY 2 H GLY 2 1.880 -2.330 -0.410 6 HA2 GLY 2 HA2 GLY 2 0.647 -3.885 -1.814 7 HA3 GLY 2 HA3 GLY 2 1.341 -3.080 -3.213 8 H GLU 3 H GLU 3 3.036 -4.080 -0.279 9 HA GLU 3 HA GLU 3 4.360 -6.219 -1.782 10 HB2 GLU 3 HB2 GLU 3 5.815 -4.079 -0.220 11 HB3 GLU 3 HB3 GLU 3 6.563 -5.497 -0.941 12 HG2 GLU 3 HG2 GLU 3 5.005 -3.602 -2.640 13 HG3 GLU 3 HG3 GLU 3 6.661 -3.221 -2.170 14 H THR 4 H THR 4 6.103 -7.183 -0.035 15 HA THR 4 HA THR 4 4.802 -7.444 2.568 16 HB THR 4 HB THR 4 3.768 -9.278 1.529 17 HG1 THR 4 HG1 THR 4 6.108 -10.526 2.525 18 HG21 THR 4 HG21 THR 4 6.408 -9.677 0.156 19 HG22 THR 4 HG22 THR 4 4.805 -9.486 -0.555 20 HG23 THR 4 HG23 THR 4 5.232 -10.986 0.267 21 H CYS 5 H CYS 5 6.248 -7.465 4.166 22 HA CYS 5 HA CYS 5 9.065 -7.957 3.473 23 HB2 CYS 5 HB2 CYS 5 9.568 -6.635 5.540 24 HB3 CYS 5 HB3 CYS 5 8.739 -5.719 4.286 25 H VAL 6 H VAL 6 8.075 -10.282 3.714 26 HA VAL 6 HA VAL 6 7.446 -11.412 6.155 27 HB VAL 6 HB VAL 6 9.052 -12.692 3.939 28 HG11 VAL 6 HG11 VAL 6 7.795 -14.755 4.945 29 HG12 VAL 6 HG12 VAL 6 9.296 -14.183 5.675 30 HG13 VAL 6 HG13 VAL 6 7.744 -13.759 6.399 31 HG21 VAL 6 HG21 VAL 6 6.303 -11.849 4.097 32 HG22 VAL 6 HG22 VAL 6 7.191 -12.523 2.731 33 HG23 VAL 6 HG23 VAL 6 6.409 -13.597 3.890 34 H GLY 7 H GLY 7 10.545 -10.393 4.932 35 HA2 GLY 7 HA2 GLY 7 12.149 -11.851 6.784 36 HA3 GLY 7 HA3 GLY 7 12.664 -10.469 5.829 37 H GLY 8 H GLY 8 10.463 -8.798 6.929 38 HA2 GLY 8 HA2 GLY 8 9.873 -7.876 9.068 39 HA3 GLY 8 HA3 GLY 8 11.373 -8.524 9.716 40 H THR 9 H THR 9 11.285 -6.881 6.645 41 HA THR 9 HA THR 9 12.175 -4.367 7.804 42 HB THR 9 HB THR 9 14.293 -5.458 7.677 43 HG1 THR 9 HG1 THR 9 14.290 -4.044 5.239 44 HG21 THR 9 HG21 THR 9 13.556 -7.275 6.132 45 HG22 THR 9 HG22 THR 9 15.130 -6.590 5.727 46 HG23 THR 9 HG23 THR 9 13.703 -6.134 4.796 47 H CYS 10 H CYS 10 11.126 -2.826 6.751 48 HA CYS 10 HA CYS 10 10.971 -2.875 3.852 49 HB2 CYS 10 HB2 CYS 10 8.858 -3.943 5.176 50 HB3 CYS 10 HB3 CYS 10 8.376 -2.251 5.122 51 H ASN 11 H ASN 11 12.538 -1.140 4.659 52 HA ASN 11 HA ASN 11 11.233 1.288 5.591 53 HB2 ASN 11 HB2 ASN 11 14.142 0.768 4.934 54 HB3 ASN 11 HB3 ASN 11 13.503 2.215 5.708 55 HD21 ASN 11 HD21 ASN 11 15.075 -0.558 6.290 56 HD22 ASN 11 HD22 ASN 11 14.618 -0.834 7.933 57 H THR 12 H THR 12 9.935 1.744 3.765 58 HA THR 12 HA THR 12 11.409 2.552 1.348 59 HB THR 12 HB THR 12 8.827 2.654 0.553 60 HG1 THR 12 HG1 THR 12 7.800 0.784 1.452 61 HG21 THR 12 HG21 THR 12 11.055 0.871 0.243 62 HG22 THR 12 HG22 THR 12 9.788 1.279 -0.914 63 HG23 THR 12 HG23 THR 12 9.549 -0.046 0.225 64 HA PRO 13 HA PRO 13 10.494 6.796 2.009 65 HB2 PRO 13 HB2 PRO 13 10.173 7.672 -0.540 66 HB3 PRO 13 HB3 PRO 13 11.747 7.236 0.135 67 HG2 PRO 13 HG2 PRO 13 9.928 5.631 -1.619 68 HG3 PRO 13 HG3 PRO 13 11.689 5.818 -1.708 69 HD2 PRO 13 HD2 PRO 13 10.508 3.643 -0.609 70 HD3 PRO 13 HD3 PRO 13 12.063 4.278 -0.034 71 H GLY 14 H GLY 14 8.442 6.450 3.069 72 HA2 GLY 14 HA2 GLY 14 6.322 7.626 3.046 73 HA3 GLY 14 HA3 GLY 14 6.177 7.220 1.343 74 H CYS 15 H CYS 15 7.405 4.607 3.025 75 HA CYS 15 HA CYS 15 4.766 3.516 3.675 76 HB2 CYS 15 HB2 CYS 15 6.598 2.565 1.543 77 HB3 CYS 15 HB3 CYS 15 5.850 1.326 2.546 78 H THR 16 H THR 16 4.874 1.559 4.986 79 HA THR 16 HA THR 16 7.422 1.280 6.438 80 HB THR 16 HB THR 16 4.982 0.797 8.019 81 HG1 THR 16 HG1 THR 16 4.526 2.985 8.284 82 HG21 THR 16 HG21 THR 16 7.745 1.431 8.410 83 HG22 THR 16 HG22 THR 16 6.546 0.926 9.600 84 HG23 THR 16 HG23 THR 16 6.751 2.637 9.227 85 H CYS 17 H CYS 17 7.191 -0.750 7.975 86 HA CYS 17 HA CYS 17 6.497 -2.969 6.210 87 HB2 CYS 17 HB2 CYS 17 8.745 -2.908 7.238 88 HB3 CYS 17 HB3 CYS 17 8.004 -2.974 8.834 89 H SER 18 H SER 18 5.095 -4.614 6.760 90 HA SER 18 HA SER 18 3.659 -4.443 9.297 91 HB2 SER 18 HB2 SER 18 2.321 -4.309 6.587 92 HB3 SER 18 HB3 SER 18 1.464 -4.633 8.094 93 HG SER 18 HG SER 18 1.477 -2.391 7.423 94 H TRP 19 H TRP 19 5.423 -6.354 8.916 95 HA TRP 19 HA TRP 19 5.062 -8.617 7.535 96 HB2 TRP 19 HB2 TRP 19 6.741 -8.237 9.374 97 HB3 TRP 19 HB3 TRP 19 5.482 -8.671 10.528 98 HD1 TRP 19 HD1 TRP 19 7.981 -10.180 8.138 99 HE1 TRP 19 HE1 TRP 19 7.895 -12.746 8.320 100 HE3 TRP 19 HE3 TRP 19 3.773 -10.652 11.004 101 HZ2 TRP 19 HZ2 TRP 19 6.260 -14.710 9.519 102 HZ3 TRP 19 HZ3 TRP 19 3.015 -12.909 11.624 103 HH2 TRP 19 HH2 TRP 19 4.234 -14.895 10.895 104 HA PRO 20 HA PRO 20 4.946 -10.772 7.401 105 HB2 PRO 20 HB2 PRO 20 3.367 -12.046 5.597 106 HB3 PRO 20 HB3 PRO 20 3.714 -12.701 7.201 107 HG2 PRO 20 HG2 PRO 20 1.298 -11.215 6.245 108 HG3 PRO 20 HG3 PRO 20 1.391 -12.654 7.277 109 HD2 PRO 20 HD2 PRO 20 0.987 -10.169 8.274 110 HD3 PRO 20 HD3 PRO 20 1.874 -11.423 9.165 111 H VAL 21 H VAL 21 2.079 -9.161 6.071 112 HA VAL 21 HA VAL 21 3.200 -8.576 3.538 113 HB VAL 21 HB VAL 21 1.344 -7.105 3.190 114 HG11 VAL 21 HG11 VAL 21 0.938 -9.583 3.313 115 HG12 VAL 21 HG12 VAL 21 0.315 -9.325 4.944 116 HG13 VAL 21 HG13 VAL 21 -0.485 -8.573 3.564 117 HG21 VAL 21 HG21 VAL 21 1.429 -5.823 5.233 118 HG22 VAL 21 HG22 VAL 21 -0.191 -6.490 5.032 119 HG23 VAL 21 HG23 VAL 21 0.930 -7.227 6.175 120 H CYS 22 H CYS 22 2.868 -5.925 3.070 121 HA CYS 22 HA CYS 22 4.427 -4.417 5.005 122 HB2 CYS 22 HB2 CYS 22 6.219 -5.362 3.740 123 HB3 CYS 22 HB3 CYS 22 5.401 -5.035 2.216 124 H GLY 23 H GLY 23 4.068 -2.234 4.914 125 HA2 GLY 23 HA2 GLY 23 3.399 -0.518 3.008 126 HA3 GLY 23 HA3 GLY 23 1.885 -1.396 3.168 127 H HIS 24 H HIS 24 0.517 -0.905 4.804 128 HA HIS 24 HA HIS 24 1.475 0.898 6.914 129 HB2 HIS 24 HB2 HIS 24 -1.095 1.313 5.374 130 HB3 HIS 24 HB3 HIS 24 -0.479 2.326 6.676 131 HD1 HIS 24 HD1 HIS 24 1.601 3.826 6.117 132 HD2 HIS 24 HD2 HIS 24 -0.042 1.826 2.867 133 HE1 HIS 24 HE1 HIS 24 2.573 4.938 4.081 134 H PHE 25 H PHE 25 -0.813 1.302 8.303 135 HA PHE 25 HA PHE 25 -1.512 -1.423 9.157 136 HB2 PHE 25 HB2 PHE 25 -0.393 -0.105 10.874 137 HB3 PHE 25 HB3 PHE 25 -1.578 1.184 10.691 138 HD1 PHE 25 HD1 PHE 25 -1.096 -2.295 11.818 139 HD2 PHE 25 HD2 PHE 25 -3.657 1.104 11.803 140 HE1 PHE 25 HE1 PHE 25 -2.499 -3.349 13.543 141 HE2 PHE 25 HE2 PHE 25 -5.064 0.056 13.528 142 HZ PHE 25 HZ PHE 25 -4.486 -2.173 14.401 143 H ARG 26 H ARG 26 -2.820 1.668 8.182 144 HA ARG 26 HA ARG 26 -5.548 0.922 8.770 145 HB2 ARG 26 HB2 ARG 26 -4.391 3.314 8.671 146 HB3 ARG 26 HB3 ARG 26 -4.898 3.222 6.990 147 HG2 ARG 26 HG2 ARG 26 -7.204 2.913 7.673 148 HG3 ARG 26 HG3 ARG 26 -6.718 2.921 9.370 149 HD2 ARG 26 HD2 ARG 26 -5.697 5.235 8.809 150 HD3 ARG 26 HD3 ARG 26 -6.754 5.175 7.400 151 HE ARG 26 HE ARG 26 -8.179 4.605 9.794 152 HH11 ARG 26 HH11 ARG 26 -6.811 7.203 7.923 153 HH12 ARG 26 HH12 ARG 26 -7.914 8.394 8.528 154 HH21 ARG 26 HH21 ARG 26 -9.638 6.164 10.597 155 HH22 ARG 26 HH22 ARG 26 -9.521 7.802 10.050 156 H TRP 27 H TRP 27 -3.931 1.905 5.743 157 HA TRP 27 HA TRP 27 -5.948 0.574 4.169 158 HB2 TRP 27 HB2 TRP 27 -3.373 1.793 3.170 159 HB3 TRP 27 HB3 TRP 27 -4.854 1.506 2.261 160 HD1 TRP 27 HD1 TRP 27 -7.050 2.894 3.817 161 HE1 TRP 27 HE1 TRP 27 -7.038 5.426 4.281 162 HE3 TRP 27 HE3 TRP 27 -2.052 3.801 3.241 163 HZ2 TRP 27 HZ2 TRP 27 -5.159 7.529 4.387 164 HZ3 TRP 27 HZ3 TRP 27 -1.228 6.100 3.540 165 HH2 TRP 27 HH2 TRP 27 -2.751 7.924 4.101 166 H GLY 28 H GLY 28 -2.388 0.342 4.025 167 HA2 GLY 28 HA2 GLY 28 -1.212 -1.729 4.352 168 HA3 GLY 28 HA3 GLY 28 -2.669 -2.586 3.874 169 H VAL 29 H VAL 29 -1.583 0.194 2.089 170 HA VAL 29 HA VAL 29 -0.440 -1.537 0.010 171 HB VAL 29 HB VAL 29 -1.612 -0.082 -1.706 172 HG11 VAL 29 HG11 VAL 29 -3.660 -1.403 -1.643 173 HG12 VAL 29 HG12 VAL 29 -2.258 -2.400 -1.248 174 HG13 VAL 29 HG13 VAL 29 -3.336 -1.844 0.033 175 HG21 VAL 29 HG21 VAL 29 -2.346 1.420 0.441 176 HG22 VAL 29 HG22 VAL 29 -3.141 1.461 -1.133 177 HG23 VAL 29 HG23 VAL 29 -3.803 0.467 0.164 Start of MODEL 8 1 H1 CYS 1 H CYS 1 0.988 0.456 0.839 2 HA CYS 1 HA CYS 1 1.908 1.489 -1.739 3 HB2 CYS 1 HB2 CYS 1 3.407 -0.127 0.334 4 HB3 CYS 1 HB3 CYS 1 4.103 0.630 -1.096 5 H GLY 2 H GLY 2 1.994 -1.665 -0.059 6 HA2 GLY 2 HA2 GLY 2 0.992 -3.631 -1.028 7 HA3 GLY 2 HA3 GLY 2 1.269 -2.934 -2.617 8 H GLU 3 H GLU 3 3.115 -3.940 0.262 9 HA GLU 3 HA GLU 3 4.944 -5.389 -1.502 10 HB2 GLU 3 HB2 GLU 3 5.687 -3.176 0.379 11 HB3 GLU 3 HB3 GLU 3 6.825 -4.479 0.066 12 HG2 GLU 3 HG2 GLU 3 6.891 -3.959 -2.262 13 HG3 GLU 3 HG3 GLU 3 5.576 -2.798 -2.091 14 H THR 4 H THR 4 6.588 -6.640 -0.055 15 HA THR 4 HA THR 4 5.030 -7.899 2.103 16 HB THR 4 HB THR 4 7.057 -9.666 1.573 17 HG1 THR 4 HG1 THR 4 6.929 -9.807 -0.805 18 HG21 THR 4 HG21 THR 4 5.342 -10.983 0.400 19 HG22 THR 4 HG22 THR 4 4.330 -9.545 0.278 20 HG23 THR 4 HG23 THR 4 4.701 -10.231 1.859 21 H CYS 5 H CYS 5 5.909 -8.200 4.105 22 HA CYS 5 HA CYS 5 8.669 -7.293 4.541 23 HB2 CYS 5 HB2 CYS 5 6.437 -5.806 5.263 24 HB3 CYS 5 HB3 CYS 5 6.896 -6.623 6.754 25 H VAL 6 H VAL 6 7.052 -9.905 4.497 26 HA VAL 6 HA VAL 6 6.773 -11.051 6.975 27 HB VAL 6 HB VAL 6 7.925 -12.437 4.550 28 HG11 VAL 6 HG11 VAL 6 6.589 -14.371 5.658 29 HG12 VAL 6 HG12 VAL 6 8.187 -13.950 6.280 30 HG13 VAL 6 HG13 VAL 6 6.738 -13.397 7.121 31 HG21 VAL 6 HG21 VAL 6 5.247 -11.407 5.149 32 HG22 VAL 6 HG22 VAL 6 5.979 -11.833 3.603 33 HG23 VAL 6 HG23 VAL 6 5.282 -13.091 4.624 34 H GLY 7 H GLY 7 9.744 -10.931 5.013 35 HA2 GLY 7 HA2 GLY 7 11.397 -12.290 6.835 36 HA3 GLY 7 HA3 GLY 7 11.951 -11.180 5.590 37 H GLY 8 H GLY 8 10.267 -9.002 6.791 38 HA2 GLY 8 HA2 GLY 8 10.295 -7.630 8.725 39 HA3 GLY 8 HA3 GLY 8 11.667 -8.550 9.326 40 H THR 9 H THR 9 11.713 -7.520 6.034 41 HA THR 9 HA THR 9 13.214 -5.100 6.627 42 HB THR 9 HB THR 9 15.042 -6.600 6.683 43 HG1 THR 9 HG1 THR 9 16.079 -6.102 4.572 44 HG21 THR 9 HG21 THR 9 15.255 -8.022 4.383 45 HG22 THR 9 HG22 THR 9 13.507 -8.031 4.617 46 HG23 THR 9 HG23 THR 9 14.569 -8.656 5.878 47 H CYS 10 H CYS 10 11.609 -3.967 5.537 48 HA CYS 10 HA CYS 10 11.825 -4.061 2.639 49 HB2 CYS 10 HB2 CYS 10 9.420 -4.153 2.271 50 HB3 CYS 10 HB3 CYS 10 9.947 -5.582 3.155 51 H ASN 11 H ASN 11 12.608 -2.220 4.767 52 HA ASN 11 HA ASN 11 10.895 -0.024 5.000 53 HB2 ASN 11 HB2 ASN 11 13.166 -0.578 6.187 54 HB3 ASN 11 HB3 ASN 11 13.867 0.350 4.864 55 HD21 ASN 11 HD21 ASN 11 13.440 2.550 4.708 56 HD22 ASN 11 HD22 ASN 11 12.799 3.455 6.032 57 H THR 12 H THR 12 10.298 1.541 3.646 58 HA THR 12 HA THR 12 11.946 2.125 1.296 59 HB THR 12 HB THR 12 9.348 2.351 0.327 60 HG1 THR 12 HG1 THR 12 9.105 0.769 2.310 61 HG21 THR 12 HG21 THR 12 11.750 0.807 -0.192 62 HG22 THR 12 HG22 THR 12 10.592 1.502 -1.325 63 HG23 THR 12 HG23 THR 12 10.289 -0.084 -0.616 64 HA PRO 13 HA PRO 13 11.021 6.329 2.165 65 HB2 PRO 13 HB2 PRO 13 11.044 7.407 -0.326 66 HB3 PRO 13 HB3 PRO 13 12.511 6.879 0.505 67 HG2 PRO 13 HG2 PRO 13 10.906 5.463 -1.587 68 HG3 PRO 13 HG3 PRO 13 12.667 5.609 -1.437 69 HD2 PRO 13 HD2 PRO 13 11.319 3.388 -0.674 70 HD3 PRO 13 HD3 PRO 13 12.797 3.936 0.143 71 H GLY 14 H GLY 14 8.904 6.256 2.960 72 HA2 GLY 14 HA2 GLY 14 6.848 7.510 2.626 73 HA3 GLY 14 HA3 GLY 14 6.843 6.946 0.962 74 H CYS 15 H CYS 15 7.818 4.369 2.715 75 HA CYS 15 HA CYS 15 5.069 3.441 3.220 76 HB2 CYS 15 HB2 CYS 15 7.316 1.835 1.983 77 HB3 CYS 15 HB3 CYS 15 5.717 1.217 2.385 78 H THR 16 H THR 16 4.759 2.118 4.986 79 HA THR 16 HA THR 16 7.081 1.836 6.780 80 HB THR 16 HB THR 16 5.199 1.679 8.579 81 HG1 THR 16 HG1 THR 16 3.816 3.380 6.808 82 HG21 THR 16 HG21 THR 16 6.901 3.515 8.266 83 HG22 THR 16 HG22 THR 16 5.381 4.015 9.008 84 HG23 THR 16 HG23 THR 16 5.691 4.368 7.308 85 H CYS 17 H CYS 17 7.572 -0.130 7.574 86 HA CYS 17 HA CYS 17 6.562 -2.453 6.383 87 HB2 CYS 17 HB2 CYS 17 8.805 -2.230 7.462 88 HB3 CYS 17 HB3 CYS 17 8.008 -2.261 9.032 89 H SER 18 H SER 18 5.002 -3.884 6.923 90 HA SER 18 HA SER 18 3.616 -3.573 9.485 91 HB2 SER 18 HB2 SER 18 2.165 -3.718 6.832 92 HB3 SER 18 HB3 SER 18 1.427 -3.584 8.428 93 HG SER 18 HG SER 18 2.313 -1.635 6.828 94 H TRP 19 H TRP 19 5.309 -5.558 9.225 95 HA TRP 19 HA TRP 19 4.894 -7.878 7.967 96 HB2 TRP 19 HB2 TRP 19 6.571 -7.503 9.774 97 HB3 TRP 19 HB3 TRP 19 5.290 -7.725 10.962 98 HD1 TRP 19 HD1 TRP 19 7.748 -9.634 8.887 99 HE1 TRP 19 HE1 TRP 19 7.434 -12.161 9.262 100 HE3 TRP 19 HE3 TRP 19 3.309 -9.533 11.420 101 HZ2 TRP 19 HZ2 TRP 19 5.553 -13.883 10.471 102 HZ3 TRP 19 HZ3 TRP 19 2.319 -11.664 12.150 103 HH2 TRP 19 HH2 TRP 19 3.419 -13.793 11.684 104 HA PRO 20 HA PRO 20 4.710 -10.032 7.946 105 HB2 PRO 20 HB2 PRO 20 3.122 -11.351 6.182 106 HB3 PRO 20 HB3 PRO 20 3.419 -11.929 7.826 107 HG2 PRO 20 HG2 PRO 20 1.070 -10.421 6.744 108 HG3 PRO 20 HG3 PRO 20 1.097 -11.804 7.853 109 HD2 PRO 20 HD2 PRO 20 0.758 -9.257 8.708 110 HD3 PRO 20 HD3 PRO 20 1.587 -10.489 9.682 111 H VAL 21 H VAL 21 1.902 -8.469 6.431 112 HA VAL 21 HA VAL 21 3.073 -8.045 3.905 113 HB VAL 21 HB VAL 21 1.324 -6.334 3.573 114 HG11 VAL 21 HG11 VAL 21 0.357 -8.875 4.879 115 HG12 VAL 21 HG12 VAL 21 -0.602 -7.830 3.829 116 HG13 VAL 21 HG13 VAL 21 0.804 -8.679 3.184 117 HG21 VAL 21 HG21 VAL 21 -0.313 -5.919 5.357 118 HG22 VAL 21 HG22 VAL 21 0.670 -6.872 6.469 119 HG23 VAL 21 HG23 VAL 21 1.302 -5.366 5.803 120 H CYS 22 H CYS 22 3.022 -5.508 3.180 121 HA CYS 22 HA CYS 22 4.637 -3.958 5.065 122 HB2 CYS 22 HB2 CYS 22 6.060 -5.342 3.401 123 HB3 CYS 22 HB3 CYS 22 5.507 -4.184 2.196 124 H GLY 23 H GLY 23 4.572 -1.718 4.748 125 HA2 GLY 23 HA2 GLY 23 3.968 0.105 3.151 126 HA3 GLY 23 HA3 GLY 23 2.517 -0.829 2.818 127 H HIS 24 H HIS 24 1.048 -1.204 4.676 128 HA HIS 24 HA HIS 24 1.266 0.665 6.882 129 HB2 HIS 24 HB2 HIS 24 -1.057 0.824 4.950 130 HB3 HIS 24 HB3 HIS 24 -0.886 1.747 6.440 131 HD1 HIS 24 HD1 HIS 24 0.868 3.677 6.441 132 HD2 HIS 24 HD2 HIS 24 0.363 1.800 2.770 133 HE1 HIS 24 HE1 HIS 24 1.964 5.189 4.757 134 H PHE 25 H PHE 25 -1.204 0.554 7.945 135 HA PHE 25 HA PHE 25 -1.682 -2.333 8.293 136 HB2 PHE 25 HB2 PHE 25 -0.652 -1.211 10.266 137 HB3 PHE 25 HB3 PHE 25 -2.061 -0.159 10.362 138 HD1 PHE 25 HD1 PHE 25 -1.237 -3.795 10.219 139 HD2 PHE 25 HD2 PHE 25 -3.740 -0.743 11.810 140 HE1 PHE 25 HE1 PHE 25 -2.382 -5.467 11.614 141 HE2 PHE 25 HE2 PHE 25 -4.889 -2.409 13.209 142 HZ PHE 25 HZ PHE 25 -4.210 -4.775 13.113 143 H ARG 26 H ARG 26 -3.113 0.850 7.989 144 HA ARG 26 HA ARG 26 -5.815 -0.103 8.292 145 HB2 ARG 26 HB2 ARG 26 -4.723 2.313 8.670 146 HB3 ARG 26 HB3 ARG 26 -5.268 2.520 7.010 147 HG2 ARG 26 HG2 ARG 26 -7.536 1.682 7.851 148 HG3 ARG 26 HG3 ARG 26 -6.897 1.993 9.466 149 HD2 ARG 26 HD2 ARG 26 -6.819 4.082 7.314 150 HD3 ARG 26 HD3 ARG 26 -8.249 3.849 8.319 151 HE ARG 26 HE ARG 26 -5.764 5.061 9.096 152 HH11 ARG 26 HH11 ARG 26 -8.599 3.383 10.221 153 HH12 ARG 26 HH12 ARG 26 -8.500 4.022 11.828 154 HH21 ARG 26 HH21 ARG 26 -5.622 5.909 11.209 155 HH22 ARG 26 HH22 ARG 26 -6.806 5.460 12.388 156 H TRP 27 H TRP 27 -3.945 1.270 5.583 157 HA TRP 27 HA TRP 27 -5.940 0.324 3.694 158 HB2 TRP 27 HB2 TRP 27 -3.333 1.719 3.077 159 HB3 TRP 27 HB3 TRP 27 -4.747 1.577 2.036 160 HD1 TRP 27 HD1 TRP 27 -7.069 2.643 3.659 161 HE1 TRP 27 HE1 TRP 27 -7.148 5.054 4.554 162 HE3 TRP 27 HE3 TRP 27 -2.068 3.701 3.584 163 HZ2 TRP 27 HZ2 TRP 27 -5.331 7.131 5.150 164 HZ3 TRP 27 HZ3 TRP 27 -1.321 5.923 4.333 165 HH2 TRP 27 HH2 TRP 27 -2.921 7.601 5.099 166 H GLY 28 H GLY 28 -2.375 0.118 3.708 167 HA2 GLY 28 HA2 GLY 28 -1.138 -1.909 3.644 168 HA3 GLY 28 HA3 GLY 28 -2.588 -2.745 3.110 169 H VAL 29 H VAL 29 -1.919 0.234 1.559 170 HA VAL 29 HA VAL 29 -0.564 -1.111 -0.669 171 HB VAL 29 HB VAL 29 -2.023 -0.099 -2.314 172 HG11 VAL 29 HG11 VAL 29 -3.597 -1.561 -0.197 173 HG12 VAL 29 HG12 VAL 29 -4.074 -1.367 -1.885 174 HG13 VAL 29 HG13 VAL 29 -2.635 -2.303 -1.475 175 HG21 VAL 29 HG21 VAL 29 -3.088 1.313 0.054 176 HG22 VAL 29 HG22 VAL 29 -2.893 1.871 -1.607 177 HG23 VAL 29 HG23 VAL 29 -4.260 0.843 -1.177 Start of MODEL 9 1 H1 CYS 1 H CYS 1 1.109 -0.638 0.748 2 HA CYS 1 HA CYS 1 2.020 0.593 -1.642 3 HB2 CYS 1 HB2 CYS 1 3.430 -1.189 0.353 4 HB3 CYS 1 HB3 CYS 1 4.241 -0.368 -0.976 5 H GLY 2 H GLY 2 1.232 -2.691 -0.751 6 HA2 GLY 2 HA2 GLY 2 0.697 -4.406 -2.257 7 HA3 GLY 2 HA3 GLY 2 1.445 -3.475 -3.547 8 H GLU 3 H GLU 3 2.773 -4.500 -0.418 9 HA GLU 3 HA GLU 3 4.536 -6.396 -1.744 10 HB2 GLU 3 HB2 GLU 3 5.552 -3.988 -0.230 11 HB3 GLU 3 HB3 GLU 3 6.547 -5.377 -0.642 12 HG2 GLU 3 HG2 GLU 3 5.125 -3.639 -2.644 13 HG3 GLU 3 HG3 GLU 3 6.818 -3.471 -2.185 14 H THR 4 H THR 4 6.089 -7.346 0.027 15 HA THR 4 HA THR 4 4.770 -7.516 2.629 16 HB THR 4 HB THR 4 3.713 -9.347 1.555 17 HG1 THR 4 HG1 THR 4 4.403 -10.972 2.867 18 HG21 THR 4 HG21 THR 4 6.434 -10.223 0.577 19 HG22 THR 4 HG22 THR 4 5.187 -9.466 -0.413 20 HG23 THR 4 HG23 THR 4 4.907 -11.056 0.294 21 H CYS 5 H CYS 5 6.229 -7.414 4.200 22 HA CYS 5 HA CYS 5 9.033 -8.000 3.547 23 HB2 CYS 5 HB2 CYS 5 9.540 -6.649 5.593 24 HB3 CYS 5 HB3 CYS 5 8.720 -5.745 4.323 25 H VAL 6 H VAL 6 8.007 -10.311 3.821 26 HA VAL 6 HA VAL 6 7.382 -11.378 6.301 27 HB VAL 6 HB VAL 6 8.320 -13.548 5.371 28 HG11 VAL 6 HG11 VAL 6 6.596 -13.535 3.447 29 HG12 VAL 6 HG12 VAL 6 6.030 -13.270 5.097 30 HG13 VAL 6 HG13 VAL 6 6.228 -11.902 4.001 31 HG21 VAL 6 HG21 VAL 6 9.927 -12.157 3.860 32 HG22 VAL 6 HG22 VAL 6 9.243 -13.667 3.260 33 HG23 VAL 6 HG23 VAL 6 8.552 -12.125 2.755 34 H GLY 7 H GLY 7 10.460 -10.410 5.020 35 HA2 GLY 7 HA2 GLY 7 12.038 -11.891 6.915 36 HA3 GLY 7 HA3 GLY 7 12.615 -10.633 5.832 37 H GLY 8 H GLY 8 10.434 -8.822 6.908 38 HA2 GLY 8 HA2 GLY 8 10.001 -7.654 8.939 39 HA3 GLY 8 HA3 GLY 8 11.474 -8.338 9.611 40 H THR 9 H THR 9 11.279 -6.866 6.435 41 HA THR 9 HA THR 9 12.492 -4.400 7.402 42 HB THR 9 HB THR 9 14.486 -5.638 7.056 43 HG1 THR 9 HG1 THR 9 14.298 -4.398 4.539 44 HG21 THR 9 HG21 THR 9 12.942 -6.903 4.942 45 HG22 THR 9 HG22 THR 9 14.349 -7.500 5.822 46 HG23 THR 9 HG23 THR 9 14.565 -6.462 4.413 47 H CYS 10 H CYS 10 11.239 -2.895 6.519 48 HA CYS 10 HA CYS 10 10.873 -2.858 3.638 49 HB2 CYS 10 HB2 CYS 10 8.859 -3.943 5.164 50 HB3 CYS 10 HB3 CYS 10 8.358 -2.261 5.024 51 H ASN 11 H ASN 11 12.267 -1.289 5.728 52 HA ASN 11 HA ASN 11 10.932 1.150 6.188 53 HB2 ASN 11 HB2 ASN 11 13.889 0.520 6.082 54 HB3 ASN 11 HB3 ASN 11 13.218 2.043 6.659 55 HD21 ASN 11 HD21 ASN 11 13.071 2.179 8.766 56 HD22 ASN 11 HD22 ASN 11 12.818 0.868 9.862 57 H THR 12 H THR 12 10.024 2.022 4.369 58 HA THR 12 HA THR 12 11.917 3.058 2.371 59 HB THR 12 HB THR 12 9.581 2.758 0.934 60 HG1 THR 12 HG1 THR 12 9.121 0.467 1.290 61 HG21 THR 12 HG21 THR 12 11.142 0.473 0.421 62 HG22 THR 12 HG22 THR 12 12.263 1.735 0.931 63 HG23 THR 12 HG23 THR 12 11.178 2.016 -0.430 64 HA PRO 13 HA PRO 13 9.989 6.964 2.909 65 HB2 PRO 13 HB2 PRO 13 10.095 7.994 0.400 66 HB3 PRO 13 HB3 PRO 13 11.524 7.810 1.424 67 HG2 PRO 13 HG2 PRO 13 10.543 6.052 -0.792 68 HG3 PRO 13 HG3 PRO 13 12.196 6.584 -0.434 69 HD2 PRO 13 HD2 PRO 13 11.275 4.129 0.244 70 HD3 PRO 13 HD3 PRO 13 12.483 4.997 1.213 71 H GLY 14 H GLY 14 7.855 6.360 3.439 72 HA2 GLY 14 HA2 GLY 14 5.619 7.078 2.889 73 HA3 GLY 14 HA3 GLY 14 5.958 6.692 1.208 74 H CYS 15 H CYS 15 7.257 4.289 3.082 75 HA CYS 15 HA CYS 15 4.782 2.707 3.106 76 HB2 CYS 15 HB2 CYS 15 7.392 2.009 1.784 77 HB3 CYS 15 HB3 CYS 15 6.286 0.752 2.327 78 H THR 16 H THR 16 4.509 1.490 4.880 79 HA THR 16 HA THR 16 6.786 1.264 6.739 80 HB THR 16 HB THR 16 4.802 0.978 8.456 81 HG1 THR 16 HG1 THR 16 2.996 2.201 7.851 82 HG21 THR 16 HG21 THR 16 5.257 3.102 9.183 83 HG22 THR 16 HG22 THR 16 5.162 3.794 7.563 84 HG23 THR 16 HG23 THR 16 6.594 2.889 8.053 85 H CYS 17 H CYS 17 7.399 -0.719 7.322 86 HA CYS 17 HA CYS 17 6.423 -3.028 6.116 87 HB2 CYS 17 HB2 CYS 17 8.670 -2.806 7.149 88 HB3 CYS 17 HB3 CYS 17 7.918 -2.843 8.740 89 H SER 18 H SER 18 5.026 -4.635 6.725 90 HA SER 18 HA SER 18 3.625 -4.405 9.277 91 HB2 SER 18 HB2 SER 18 2.416 -3.142 7.340 92 HB3 SER 18 HB3 SER 18 1.982 -4.760 6.788 93 HG SER 18 HG SER 18 1.204 -5.053 9.037 94 H TRP 19 H TRP 19 5.403 -6.309 8.923 95 HA TRP 19 HA TRP 19 5.054 -8.613 7.616 96 HB2 TRP 19 HB2 TRP 19 6.740 -8.171 9.431 97 HB3 TRP 19 HB3 TRP 19 5.492 -8.572 10.607 98 HD1 TRP 19 HD1 TRP 19 7.991 -10.147 8.267 99 HE1 TRP 19 HE1 TRP 19 7.915 -12.707 8.529 100 HE3 TRP 19 HE3 TRP 19 3.780 -10.545 11.139 101 HZ2 TRP 19 HZ2 TRP 19 6.286 -14.639 9.786 102 HZ3 TRP 19 HZ3 TRP 19 3.030 -12.785 11.829 103 HH2 TRP 19 HH2 TRP 19 4.258 -14.788 11.165 104 HA PRO 20 HA PRO 20 4.958 -10.771 7.542 105 HB2 PRO 20 HB2 PRO 20 3.383 -12.109 5.781 106 HB3 PRO 20 HB3 PRO 20 3.745 -12.717 7.401 107 HG2 PRO 20 HG2 PRO 20 1.309 -11.281 6.416 108 HG3 PRO 20 HG3 PRO 20 1.421 -12.690 7.487 109 HD2 PRO 20 HD2 PRO 20 0.998 -10.183 8.417 110 HD3 PRO 20 HD3 PRO 20 1.901 -11.403 9.338 111 H VAL 21 H VAL 21 2.068 -9.233 6.177 112 HA VAL 21 HA VAL 21 3.190 -8.698 3.629 113 HB VAL 21 HB VAL 21 1.300 -7.291 3.224 114 HG11 VAL 21 HG11 VAL 21 0.378 -9.514 5.039 115 HG12 VAL 21 HG12 VAL 21 -0.523 -8.776 3.712 116 HG13 VAL 21 HG13 VAL 21 0.914 -9.742 3.374 117 HG21 VAL 21 HG21 VAL 21 -0.271 -6.691 5.066 118 HG22 VAL 21 HG22 VAL 21 0.921 -7.296 6.215 119 HG23 VAL 21 HG23 VAL 21 1.309 -5.917 5.187 120 H CYS 22 H CYS 22 2.778 -6.060 3.101 121 HA CYS 22 HA CYS 22 4.266 -4.453 5.003 122 HB2 CYS 22 HB2 CYS 22 6.108 -5.426 3.815 123 HB3 CYS 22 HB3 CYS 22 5.337 -5.128 2.260 124 H GLY 23 H GLY 23 3.858 -2.285 4.814 125 HA2 GLY 23 HA2 GLY 23 3.232 -0.624 2.876 126 HA3 GLY 23 HA3 GLY 23 1.751 -1.569 2.912 127 H HIS 24 H HIS 24 0.325 -1.351 4.636 128 HA HIS 24 HA HIS 24 0.984 0.503 6.778 129 HB2 HIS 24 HB2 HIS 24 -1.402 1.005 4.991 130 HB3 HIS 24 HB3 HIS 24 -0.886 1.980 6.363 131 HD1 HIS 24 HD1 HIS 24 1.259 3.449 6.024 132 HD2 HIS 24 HD2 HIS 24 -0.106 1.529 2.602 133 HE1 HIS 24 HE1 HIS 24 2.438 4.572 4.107 134 H PHE 25 H PHE 25 -1.457 0.885 7.893 135 HA PHE 25 HA PHE 25 -2.380 -1.861 8.433 136 HB2 PHE 25 HB2 PHE 25 -2.983 0.056 10.535 137 HB3 PHE 25 HB3 PHE 25 -2.170 -1.502 10.639 138 HD1 PHE 25 HD2 PHE 25 0.258 -1.655 10.397 139 HD2 PHE 25 HD1 PHE 25 -1.750 2.098 10.382 140 HE1 PHE 25 HE2 PHE 25 2.400 -0.511 10.795 141 HE2 PHE 25 HE1 PHE 25 0.388 3.248 10.780 142 HZ PHE 25 HZ PHE 25 2.467 1.943 10.988 143 H ARG 26 H ARG 26 -3.335 1.511 8.073 144 HA ARG 26 HA ARG 26 -6.128 1.023 8.427 145 HB2 ARG 26 HB2 ARG 26 -4.405 3.303 7.946 146 HB3 ARG 26 HB3 ARG 26 -5.853 3.381 6.951 147 HG2 ARG 26 HG2 ARG 26 -6.904 2.702 9.361 148 HG3 ARG 26 HG3 ARG 26 -5.531 3.700 9.843 149 HD2 ARG 26 HD2 ARG 26 -6.325 5.558 8.635 150 HD3 ARG 26 HD3 ARG 26 -7.476 4.577 7.729 151 HE ARG 26 HE ARG 26 -8.970 4.872 9.423 152 HH11 ARG 26 HH11 ARG 26 -5.769 5.478 10.650 153 HH12 ARG 26 HH12 ARG 26 -6.323 5.995 12.208 154 HH21 ARG 26 HH21 ARG 26 -9.712 5.551 11.470 155 HH22 ARG 26 HH22 ARG 26 -8.566 6.035 12.674 156 H TRP 27 H TRP 27 -4.195 1.876 5.550 157 HA TRP 27 HA TRP 27 -6.368 1.100 3.801 158 HB2 TRP 27 HB2 TRP 27 -3.566 1.913 3.017 159 HB3 TRP 27 HB3 TRP 27 -5.008 1.929 2.006 160 HD1 TRP 27 HD1 TRP 27 -7.055 3.577 3.478 161 HE1 TRP 27 HE1 TRP 27 -6.668 6.035 4.137 162 HE3 TRP 27 HE3 TRP 27 -1.944 3.651 3.371 163 HZ2 TRP 27 HZ2 TRP 27 -4.485 7.775 4.554 164 HZ3 TRP 27 HZ3 TRP 27 -0.784 5.752 3.912 165 HH2 TRP 27 HH2 TRP 27 -2.030 7.770 4.491 166 H GLY 28 H GLY 28 -2.907 0.230 3.746 167 HA2 GLY 28 HA2 GLY 28 -2.074 -1.995 3.881 168 HA3 GLY 28 HA3 GLY 28 -3.674 -2.588 3.459 169 H VAL 29 H VAL 29 -1.661 -0.135 1.867 170 HA VAL 29 HA VAL 29 -1.182 -1.919 -0.381 171 HB VAL 29 HB VAL 29 -2.031 -0.245 -2.022 172 HG11 VAL 29 HG11 VAL 29 -3.316 -2.287 -1.047 173 HG12 VAL 29 HG12 VAL 29 -4.327 -1.055 -0.289 174 HG13 VAL 29 HG13 VAL 29 -4.171 -1.112 -2.045 175 HG21 VAL 29 HG21 VAL 29 -3.647 1.437 -1.244 176 HG22 VAL 29 HG22 VAL 29 -3.275 1.007 0.426 177 HG23 VAL 29 HG23 VAL 29 -2.031 1.723 -0.598 Start of MODEL 10 1 H1 CYS 1 H CYS 1 1.528 -0.798 0.683 2 HA CYS 1 HA CYS 1 2.327 0.403 -1.832 3 HB2 CYS 1 HB2 CYS 1 3.671 -0.844 0.459 4 HB3 CYS 1 HB3 CYS 1 4.387 -1.261 -1.094 5 H GLY 2 H GLY 2 1.284 -2.685 -0.619 6 HA2 GLY 2 HA2 GLY 2 0.466 -4.458 -1.900 7 HA3 GLY 2 HA3 GLY 2 1.130 -3.696 -3.337 8 H GLU 3 H GLU 3 3.029 -4.258 -0.455 9 HA GLU 3 HA GLU 3 4.436 -6.437 -1.851 10 HB2 GLU 3 HB2 GLU 3 5.739 -4.290 -0.168 11 HB3 GLU 3 HB3 GLU 3 6.557 -5.590 -1.024 12 HG2 GLU 3 HG2 GLU 3 4.912 -3.500 -2.418 13 HG3 GLU 3 HG3 GLU 3 6.637 -3.320 -2.106 14 H THR 4 H THR 4 6.154 -7.318 -0.050 15 HA THR 4 HA THR 4 4.797 -7.649 2.514 16 HB THR 4 HB THR 4 3.854 -9.515 1.442 17 HG1 THR 4 HG1 THR 4 4.510 -10.754 3.016 18 HG21 THR 4 HG21 THR 4 6.479 -9.667 0.047 19 HG22 THR 4 HG22 THR 4 4.845 -9.826 -0.599 20 HG23 THR 4 HG23 THR 4 5.578 -11.164 0.286 21 H CYS 5 H CYS 5 6.208 -7.602 4.139 22 HA CYS 5 HA CYS 5 9.055 -8.010 3.513 23 HB2 CYS 5 HB2 CYS 5 9.467 -6.656 5.582 24 HB3 CYS 5 HB3 CYS 5 8.645 -5.776 4.297 25 H VAL 6 H VAL 6 8.146 -10.363 3.753 26 HA VAL 6 HA VAL 6 7.494 -11.489 6.194 27 HB VAL 6 HB VAL 6 9.227 -12.787 4.088 28 HG11 VAL 6 HG11 VAL 6 9.277 -14.309 5.783 29 HG12 VAL 6 HG12 VAL 6 7.744 -13.766 6.467 30 HG13 VAL 6 HG13 VAL 6 7.756 -14.783 5.027 31 HG21 VAL 6 HG21 VAL 6 7.347 -12.031 2.912 32 HG22 VAL 6 HG22 VAL 6 6.964 -13.703 3.321 33 HG23 VAL 6 HG23 VAL 6 6.256 -12.383 4.251 34 H GLY 7 H GLY 7 10.574 -10.357 5.039 35 HA2 GLY 7 HA2 GLY 7 12.172 -11.755 6.958 36 HA3 GLY 7 HA3 GLY 7 12.687 -10.402 5.961 37 H GLY 8 H GLY 8 10.391 -8.766 6.979 38 HA2 GLY 8 HA2 GLY 8 9.759 -7.747 9.048 39 HA3 GLY 8 HA3 GLY 8 11.238 -8.365 9.766 40 H THR 9 H THR 9 11.140 -6.774 6.649 41 HA THR 9 HA THR 9 12.071 -4.258 7.771 42 HB THR 9 HB THR 9 14.180 -5.352 7.609 43 HG1 THR 9 HG1 THR 9 14.885 -3.586 6.698 44 HG21 THR 9 HG21 THR 9 14.355 -7.139 6.278 45 HG22 THR 9 HG22 THR 9 14.570 -6.018 4.934 46 HG23 THR 9 HG23 THR 9 12.964 -6.639 5.317 47 H CYS 10 H CYS 10 10.880 -2.786 6.765 48 HA CYS 10 HA CYS 10 10.753 -2.765 3.865 49 HB2 CYS 10 HB2 CYS 10 8.687 -3.980 5.157 50 HB3 CYS 10 HB3 CYS 10 8.111 -2.318 5.098 51 H ASN 11 H ASN 11 12.189 -1.042 5.325 52 HA ASN 11 HA ASN 11 10.662 1.312 5.996 53 HB2 ASN 11 HB2 ASN 11 13.582 0.611 6.001 54 HB3 ASN 11 HB3 ASN 11 13.071 2.288 6.172 55 HD21 ASN 11 HD21 ASN 11 13.640 -0.618 7.751 56 HD22 ASN 11 HD22 ASN 11 12.958 -0.212 9.286 57 H THR 12 H THR 12 9.642 1.871 4.053 58 HA THR 12 HA THR 12 11.436 2.837 1.923 59 HB THR 12 HB THR 12 8.978 2.805 0.743 60 HG1 THR 12 HG1 THR 12 8.199 1.683 2.696 61 HG21 THR 12 HG21 THR 12 10.927 0.500 0.865 62 HG22 THR 12 HG22 THR 12 11.072 1.911 -0.182 63 HG23 THR 12 HG23 THR 12 9.733 0.785 -0.400 64 HA PRO 13 HA PRO 13 10.095 6.973 2.522 65 HB2 PRO 13 HB2 PRO 13 10.011 7.908 -0.025 66 HB3 PRO 13 HB3 PRO 13 11.524 7.570 0.825 67 HG2 PRO 13 HG2 PRO 13 10.059 5.893 -1.175 68 HG3 PRO 13 HG3 PRO 13 11.798 6.215 -1.045 69 HD2 PRO 13 HD2 PRO 13 10.671 3.921 -0.152 70 HD3 PRO 13 HD3 PRO 13 12.091 4.653 0.624 71 H GLY 14 H GLY 14 7.972 6.521 3.325 72 HA2 GLY 14 HA2 GLY 14 5.786 7.518 3.058 73 HA3 GLY 14 HA3 GLY 14 5.873 7.130 1.346 74 H CYS 15 H CYS 15 7.091 4.579 3.113 75 HA CYS 15 HA CYS 15 4.487 3.293 3.475 76 HB2 CYS 15 HB2 CYS 15 6.482 2.611 1.432 77 HB3 CYS 15 HB3 CYS 15 5.962 1.240 2.406 78 H THR 16 H THR 16 4.527 1.458 4.867 79 HA THR 16 HA THR 16 6.982 1.221 6.480 80 HB THR 16 HB THR 16 5.444 0.756 8.442 81 HG1 THR 16 HG1 THR 16 3.312 1.601 8.216 82 HG21 THR 16 HG21 THR 16 6.640 2.978 7.828 83 HG22 THR 16 HG22 THR 16 5.385 2.994 9.066 84 HG23 THR 16 HG23 THR 16 5.018 3.543 7.431 85 H CYS 17 H CYS 17 6.831 -0.816 7.929 86 HA CYS 17 HA CYS 17 6.226 -3.050 6.154 87 HB2 CYS 17 HB2 CYS 17 8.454 -2.923 7.212 88 HB3 CYS 17 HB3 CYS 17 7.696 -3.008 8.798 89 H SER 18 H SER 18 4.896 -4.766 6.699 90 HA SER 18 HA SER 18 3.404 -4.639 9.204 91 HB2 SER 18 HB2 SER 18 2.045 -4.694 6.498 92 HB3 SER 18 HB3 SER 18 1.236 -4.813 8.060 93 HG SER 18 HG SER 18 1.479 -2.650 6.894 94 H TRP 19 H TRP 19 5.245 -6.480 8.872 95 HA TRP 19 HA TRP 19 5.002 -8.761 7.492 96 HB2 TRP 19 HB2 TRP 19 6.632 -8.315 9.355 97 HB3 TRP 19 HB3 TRP 19 5.369 -8.775 10.493 98 HD1 TRP 19 HD1 TRP 19 7.967 -10.230 8.185 99 HE1 TRP 19 HE1 TRP 19 7.956 -12.796 8.389 100 HE3 TRP 19 HE3 TRP 19 3.697 -10.807 10.936 101 HZ2 TRP 19 HZ2 TRP 19 6.349 -14.799 9.560 102 HZ3 TRP 19 HZ3 TRP 19 2.992 -13.081 11.556 103 HH2 TRP 19 HH2 TRP 19 4.291 -15.035 10.881 104 HA PRO 20 HA PRO 20 4.977 -10.921 7.371 105 HB2 PRO 20 HB2 PRO 20 3.489 -12.268 5.543 106 HB3 PRO 20 HB3 PRO 20 3.828 -12.899 7.159 107 HG2 PRO 20 HG2 PRO 20 1.375 -11.517 6.141 108 HG3 PRO 20 HG3 PRO 20 1.503 -12.945 7.185 109 HD2 PRO 20 HD2 PRO 20 0.979 -10.473 8.156 110 HD3 PRO 20 HD3 PRO 20 1.896 -11.684 9.074 111 H VAL 21 H VAL 21 2.076 -9.438 5.968 112 HA VAL 21 HA VAL 21 3.228 -8.822 3.456 113 HB VAL 21 HB VAL 21 1.322 -7.428 3.059 114 HG11 VAL 21 HG11 VAL 21 0.364 -9.694 4.796 115 HG12 VAL 21 HG12 VAL 21 -0.461 -8.968 3.415 116 HG13 VAL 21 HG13 VAL 21 1.008 -9.913 3.170 117 HG21 VAL 21 HG21 VAL 21 1.301 -6.133 5.091 118 HG22 VAL 21 HG22 VAL 21 -0.281 -6.878 4.868 119 HG23 VAL 21 HG23 VAL 21 0.854 -7.554 6.036 120 H CYS 22 H CYS 22 2.808 -6.195 2.955 121 HA CYS 22 HA CYS 22 4.264 -4.613 4.915 122 HB2 CYS 22 HB2 CYS 22 6.111 -5.495 3.679 123 HB3 CYS 22 HB3 CYS 22 5.307 -5.192 2.142 124 H GLY 23 H GLY 23 3.823 -2.445 4.804 125 HA2 GLY 23 HA2 GLY 23 3.103 -0.782 2.858 126 HA3 GLY 23 HA3 GLY 23 1.619 -1.704 3.046 127 H HIS 24 H HIS 24 0.296 -1.330 4.782 128 HA HIS 24 HA HIS 24 1.187 0.444 6.908 129 HB2 HIS 24 HB2 HIS 24 -1.215 1.141 5.207 130 HB3 HIS 24 HB3 HIS 24 -0.609 2.048 6.590 131 HD1 HIS 24 HD1 HIS 24 1.541 3.461 6.231 132 HD2 HIS 24 HD2 HIS 24 0.145 1.560 2.811 133 HE1 HIS 24 HE1 HIS 24 2.772 4.531 4.317 134 H PHE 25 H PHE 25 -1.170 0.996 8.131 135 HA PHE 25 HA PHE 25 -2.245 -1.683 8.718 136 HB2 PHE 25 HB2 PHE 25 -2.667 0.319 10.796 137 HB3 PHE 25 HB3 PHE 25 -1.988 -1.300 10.918 138 HD1 PHE 25 HD1 PHE 25 -1.248 2.245 10.427 139 HD2 PHE 25 HD2 PHE 25 0.392 -1.667 10.774 140 HE1 PHE 25 HE1 PHE 25 0.989 3.216 10.754 141 HE2 PHE 25 HE2 PHE 25 2.631 -0.703 11.102 142 HZ PHE 25 HZ PHE 25 2.932 1.742 11.094 143 H ARG 26 H ARG 26 -3.036 1.744 8.399 144 HA ARG 26 HA ARG 26 -5.839 1.396 8.804 145 HB2 ARG 26 HB2 ARG 26 -4.046 3.570 8.491 146 HB3 ARG 26 HB3 ARG 26 -5.279 3.734 7.248 147 HG2 ARG 26 HG2 ARG 26 -6.852 3.203 9.343 148 HG3 ARG 26 HG3 ARG 26 -5.497 3.962 10.181 149 HD2 ARG 26 HD2 ARG 26 -6.170 5.974 9.525 150 HD3 ARG 26 HD3 ARG 26 -6.127 5.471 7.836 151 HE ARG 26 HE ARG 26 -8.403 5.282 7.881 152 HH11 ARG 26 HH11 ARG 26 -7.210 5.324 11.152 153 HH12 ARG 26 HH12 ARG 26 -8.788 5.396 11.864 154 HH21 ARG 26 HH21 ARG 26 -10.485 5.377 8.807 155 HH22 ARG 26 HH22 ARG 26 -10.650 5.425 10.530 156 H TRP 27 H TRP 27 -3.850 1.958 5.905 157 HA TRP 27 HA TRP 27 -6.133 1.325 4.205 158 HB2 TRP 27 HB2 TRP 27 -3.339 2.087 3.343 159 HB3 TRP 27 HB3 TRP 27 -4.808 2.125 2.371 160 HD1 TRP 27 HD1 TRP 27 -6.787 3.812 3.890 161 HE1 TRP 27 HE1 TRP 27 -6.340 6.264 4.532 162 HE3 TRP 27 HE3 TRP 27 -1.680 3.796 3.653 163 HZ2 TRP 27 HZ2 TRP 27 -4.117 7.966 4.890 164 HZ3 TRP 27 HZ3 TRP 27 -0.469 5.877 4.159 165 HH2 TRP 27 HH2 TRP 27 -1.665 7.918 4.764 166 H GLY 28 H GLY 28 -2.690 0.390 4.066 167 HA2 GLY 28 HA2 GLY 28 -1.932 -1.874 4.223 168 HA3 GLY 28 HA3 GLY 28 -3.536 -2.408 3.745 169 H VAL 29 H VAL 29 -1.256 -0.076 2.315 170 HA VAL 29 HA VAL 29 -1.038 -1.786 -0.051 171 HB VAL 29 HB VAL 29 -1.740 1.144 -0.251 172 HG11 VAL 29 HG11 VAL 29 -0.950 0.959 -2.319 173 HG12 VAL 29 HG12 VAL 29 -0.664 -0.770 -2.109 174 HG13 VAL 29 HG13 VAL 29 -2.240 -0.196 -2.655 175 HG21 VAL 29 HG21 VAL 29 -3.473 -1.265 -0.792 176 HG22 VAL 29 HG22 VAL 29 -3.636 -0.170 0.582 177 HG23 VAL 29 HG23 VAL 29 -3.922 0.420 -1.056 Start of MODEL 11 1 H1 CYS 1 H CYS 1 1.282 0.353 -0.078 2 HA CYS 1 HA CYS 1 2.570 0.065 -2.509 3 HB2 CYS 1 HB2 CYS 1 3.205 -0.711 0.295 4 HB3 CYS 1 HB3 CYS 1 4.199 -1.399 -0.985 5 H GLY 2 H GLY 2 1.074 -2.408 -0.472 6 HA2 GLY 2 HA2 GLY 2 0.393 -4.547 -0.958 7 HA3 GLY 2 HA3 GLY 2 0.515 -4.110 -2.656 8 H GLU 3 H GLU 3 3.042 -4.240 -0.167 9 HA GLU 3 HA GLU 3 4.452 -6.200 -1.855 10 HB2 GLU 3 HB2 GLU 3 5.310 -3.713 -0.922 11 HB3 GLU 3 HB3 GLU 3 6.119 -4.877 0.118 12 HG2 GLU 3 HG2 GLU 3 7.508 -4.330 -1.777 13 HG3 GLU 3 HG3 GLU 3 7.007 -6.019 -1.853 14 H THR 4 H THR 4 6.376 -7.056 -0.124 15 HA THR 4 HA THR 4 5.022 -8.047 2.268 16 HB THR 4 HB THR 4 6.331 -10.318 1.407 17 HG1 THR 4 HG1 THR 4 6.338 -10.313 -0.702 18 HG21 THR 4 HG21 THR 4 4.010 -11.161 0.935 19 HG22 THR 4 HG22 THR 4 3.433 -9.513 1.181 20 HG23 THR 4 HG23 THR 4 4.210 -10.382 2.504 21 H CYS 5 H CYS 5 6.345 -8.179 3.980 22 HA CYS 5 HA CYS 5 9.249 -8.207 3.508 23 HB2 CYS 5 HB2 CYS 5 9.433 -6.656 5.512 24 HB3 CYS 5 HB3 CYS 5 8.805 -5.935 4.033 25 H VAL 6 H VAL 6 8.432 -10.557 3.938 26 HA VAL 6 HA VAL 6 7.662 -11.447 6.448 27 HB VAL 6 HB VAL 6 9.475 -12.832 4.466 28 HG11 VAL 6 HG11 VAL 6 8.414 -14.885 5.667 29 HG12 VAL 6 HG12 VAL 6 9.801 -14.067 6.390 30 HG13 VAL 6 HG13 VAL 6 8.174 -13.750 6.995 31 HG21 VAL 6 HG21 VAL 6 7.234 -14.074 4.055 32 HG22 VAL 6 HG22 VAL 6 6.505 -12.643 4.784 33 HG23 VAL 6 HG23 VAL 6 7.487 -12.488 3.327 34 H GLY 7 H GLY 7 10.799 -10.413 5.311 35 HA2 GLY 7 HA2 GLY 7 12.223 -11.468 7.589 36 HA3 GLY 7 HA3 GLY 7 12.879 -10.424 6.338 37 H GLY 8 H GLY 8 10.429 -8.625 6.928 38 HA2 GLY 8 HA2 GLY 8 9.810 -7.086 8.614 39 HA3 GLY 8 HA3 GLY 8 11.242 -7.543 9.524 40 H THR 9 H THR 9 11.758 -6.972 6.198 41 HA THR 9 HA THR 9 12.892 -4.326 6.833 42 HB THR 9 HB THR 9 14.732 -5.672 6.286 43 HG1 THR 9 HG1 THR 9 14.195 -4.757 3.682 44 HG21 THR 9 HG21 THR 9 13.481 -7.615 5.463 45 HG22 THR 9 HG22 THR 9 14.806 -7.199 4.376 46 HG23 THR 9 HG23 THR 9 13.150 -6.764 3.955 47 H CYS 10 H CYS 10 11.292 -2.958 6.206 48 HA CYS 10 HA CYS 10 10.777 -2.780 3.351 49 HB2 CYS 10 HB2 CYS 10 8.921 -4.069 4.952 50 HB3 CYS 10 HB3 CYS 10 8.293 -2.428 4.845 51 H ASN 11 H ASN 11 12.205 -1.216 5.373 52 HA ASN 11 HA ASN 11 10.645 1.124 5.929 53 HB2 ASN 11 HB2 ASN 11 13.507 0.332 6.298 54 HB3 ASN 11 HB3 ASN 11 13.071 2.034 6.411 55 HD21 ASN 11 HD21 ASN 11 11.198 2.499 7.878 56 HD22 ASN 11 HD22 ASN 11 11.134 1.625 9.367 57 H THR 12 H THR 12 9.879 1.810 3.909 58 HA THR 12 HA THR 12 11.931 2.904 2.098 59 HB THR 12 HB THR 12 9.535 2.913 0.686 60 HG1 THR 12 HG1 THR 12 8.391 1.432 1.702 61 HG21 THR 12 HG21 THR 12 11.194 2.265 -0.684 62 HG22 THR 12 HG22 THR 12 10.797 0.629 -0.159 63 HG23 THR 12 HG23 THR 12 12.105 1.514 0.626 64 HA PRO 13 HA PRO 13 10.479 6.982 2.831 65 HB2 PRO 13 HB2 PRO 13 10.868 8.126 0.400 66 HB3 PRO 13 HB3 PRO 13 12.197 7.708 1.488 67 HG2 PRO 13 HG2 PRO 13 11.149 6.211 -0.884 68 HG3 PRO 13 HG3 PRO 13 12.829 6.510 -0.402 69 HD2 PRO 13 HD2 PRO 13 11.574 4.157 0.071 70 HD3 PRO 13 HD3 PRO 13 12.816 4.812 1.158 71 H GLY 14 H GLY 14 8.237 6.292 3.135 72 HA2 GLY 14 HA2 GLY 14 6.178 7.527 2.429 73 HA3 GLY 14 HA3 GLY 14 6.540 6.953 0.808 74 H CYS 15 H CYS 15 7.408 4.527 2.847 75 HA CYS 15 HA CYS 15 4.751 3.380 3.162 76 HB2 CYS 15 HB2 CYS 15 6.482 2.688 0.981 77 HB3 CYS 15 HB3 CYS 15 6.316 1.298 2.050 78 H THR 16 H THR 16 4.683 1.598 4.598 79 HA THR 16 HA THR 16 7.144 1.216 6.175 80 HB THR 16 HB THR 16 5.464 0.759 8.106 81 HG1 THR 16 HG1 THR 16 3.470 1.588 7.861 82 HG21 THR 16 HG21 THR 16 5.915 3.566 7.082 83 HG22 THR 16 HG22 THR 16 7.040 2.631 8.069 84 HG23 THR 16 HG23 THR 16 5.485 3.127 8.735 85 H CYS 17 H CYS 17 6.869 -0.801 7.654 86 HA CYS 17 HA CYS 17 6.129 -3.009 5.892 87 HB2 CYS 17 HB2 CYS 17 8.390 -2.971 6.911 88 HB3 CYS 17 HB3 CYS 17 7.650 -3.058 8.506 89 H SER 18 H SER 18 4.803 -4.724 6.553 90 HA SER 18 HA SER 18 3.329 -4.431 9.055 91 HB2 SER 18 HB2 SER 18 2.135 -3.223 7.105 92 HB3 SER 18 HB3 SER 18 1.788 -4.843 6.501 93 HG SER 18 HG SER 18 1.045 -3.762 9.018 94 H TRP 19 H TRP 19 5.138 -6.322 8.803 95 HA TRP 19 HA TRP 19 4.884 -8.664 7.569 96 HB2 TRP 19 HB2 TRP 19 6.421 -8.097 9.519 97 HB3 TRP 19 HB3 TRP 19 5.111 -8.614 10.578 98 HD1 TRP 19 HD1 TRP 19 7.818 -9.965 8.291 99 HE1 TRP 19 HE1 TRP 19 7.922 -12.526 8.530 100 HE3 TRP 19 HE3 TRP 19 3.601 -10.691 11.088 101 HZ2 TRP 19 HZ2 TRP 19 6.416 -14.581 9.743 102 HZ3 TRP 19 HZ3 TRP 19 3.003 -12.986 11.745 103 HH2 TRP 19 HH2 TRP 19 4.382 -14.889 11.085 104 HA PRO 20 HA PRO 20 4.815 -10.821 7.537 105 HB2 PRO 20 HB2 PRO 20 3.360 -12.219 5.720 106 HB3 PRO 20 HB3 PRO 20 3.633 -12.785 7.372 107 HG2 PRO 20 HG2 PRO 20 1.244 -11.403 6.214 108 HG3 PRO 20 HG3 PRO 20 1.309 -12.785 7.322 109 HD2 PRO 20 HD2 PRO 20 0.804 -10.263 8.168 110 HD3 PRO 20 HD3 PRO 20 1.666 -11.451 9.167 111 H VAL 21 H VAL 21 1.976 -9.421 5.920 112 HA VAL 21 HA VAL 21 3.268 -8.899 3.457 113 HB VAL 21 HB VAL 21 1.370 -7.531 2.896 114 HG11 VAL 21 HG11 VAL 21 0.954 -9.892 2.814 115 HG12 VAL 21 HG12 VAL 21 0.598 -9.936 4.542 116 HG13 VAL 21 HG13 VAL 21 -0.489 -9.093 3.438 117 HG21 VAL 21 HG21 VAL 21 -0.396 -7.125 4.677 118 HG22 VAL 21 HG22 VAL 21 0.847 -7.539 5.858 119 HG23 VAL 21 HG23 VAL 21 1.073 -6.156 4.788 120 H CYS 22 H CYS 22 2.860 -6.314 2.797 121 HA CYS 22 HA CYS 22 4.306 -4.687 4.758 122 HB2 CYS 22 HB2 CYS 22 5.990 -5.631 3.220 123 HB3 CYS 22 HB3 CYS 22 5.114 -4.948 1.854 124 H GLY 23 H GLY 23 3.969 -2.453 4.581 125 HA2 GLY 23 HA2 GLY 23 2.946 -0.863 2.716 126 HA3 GLY 23 HA3 GLY 23 1.508 -1.761 3.178 127 H HIS 24 H HIS 24 0.507 -1.335 5.118 128 HA HIS 24 HA HIS 24 1.730 0.503 7.000 129 HB2 HIS 24 HB2 HIS 24 -0.871 1.212 5.628 130 HB3 HIS 24 HB3 HIS 24 -0.085 2.132 6.906 131 HD1 HIS 24 HD1 HIS 24 2.088 3.439 6.254 132 HD2 HIS 24 HD2 HIS 24 0.118 1.632 3.073 133 HE1 HIS 24 HE1 HIS 24 3.068 4.473 4.182 134 H PHE 25 H PHE 25 -0.378 1.152 8.560 135 HA PHE 25 HA PHE 25 -1.277 -1.478 9.503 136 HB2 PHE 25 HB2 PHE 25 0.025 -0.199 11.119 137 HB3 PHE 25 HB3 PHE 25 -1.073 1.167 10.956 138 HD1 PHE 25 HD1 PHE 25 -0.691 -2.241 12.265 139 HD2 PHE 25 HD2 PHE 25 -3.183 1.204 12.072 140 HE1 PHE 25 HE1 PHE 25 -2.074 -3.144 14.090 141 HE2 PHE 25 HE2 PHE 25 -4.569 0.308 13.896 142 HZ PHE 25 HZ PHE 25 -4.015 -1.868 14.908 143 H ARG 26 H ARG 26 -2.385 1.507 8.205 144 HA ARG 26 HA ARG 26 -5.150 0.989 9.005 145 HB2 ARG 26 HB2 ARG 26 -3.962 3.308 9.039 146 HB3 ARG 26 HB3 ARG 26 -4.279 3.305 7.310 147 HG2 ARG 26 HG2 ARG 26 -6.675 3.036 7.762 148 HG3 ARG 26 HG3 ARG 26 -6.340 3.087 9.493 149 HD2 ARG 26 HD2 ARG 26 -5.277 5.341 9.096 150 HD3 ARG 26 HD3 ARG 26 -5.947 5.276 7.466 151 HE ARG 26 HE ARG 26 -8.104 4.834 9.029 152 HH11 ARG 26 HH11 ARG 26 -5.634 7.287 9.015 153 HH12 ARG 26 HH12 ARG 26 -6.670 8.519 9.655 154 HH21 ARG 26 HH21 ARG 26 -9.479 6.448 9.871 155 HH22 ARG 26 HH22 ARG 26 -8.857 8.040 10.142 156 H TRP 27 H TRP 27 -3.599 2.029 5.964 157 HA TRP 27 HA TRP 27 -5.634 0.550 4.478 158 HB2 TRP 27 HB2 TRP 27 -3.507 2.372 3.348 159 HB3 TRP 27 HB3 TRP 27 -4.991 1.835 2.567 160 HD1 TRP 27 HD1 TRP 27 -7.103 2.528 4.784 161 HE1 TRP 27 HE1 TRP 27 -7.619 4.982 5.363 162 HE3 TRP 27 HE3 TRP 27 -2.815 4.693 3.035 163 HZ2 TRP 27 HZ2 TRP 27 -6.373 7.502 5.111 164 HZ3 TRP 27 HZ3 TRP 27 -2.556 7.131 3.242 165 HH2 TRP 27 HH2 TRP 27 -4.299 8.505 4.258 166 H GLY 28 H GLY 28 -2.150 1.108 3.933 167 HA2 GLY 28 HA2 GLY 28 -0.451 -0.410 3.535 168 HA3 GLY 28 HA3 GLY 28 -1.569 -1.707 3.930 169 H VAL 29 H VAL 29 -0.623 0.549 1.376 170 HA VAL 29 HA VAL 29 -1.179 -1.526 -0.597 171 HB VAL 29 HB VAL 29 -2.302 1.264 -0.879 172 HG11 VAL 29 HG11 VAL 29 -3.423 0.243 -2.884 173 HG12 VAL 29 HG12 VAL 29 -1.675 0.446 -3.023 174 HG13 VAL 29 HG13 VAL 29 -2.355 -1.146 -2.683 175 HG21 VAL 29 HG21 VAL 29 -3.609 -1.366 -0.230 176 HG22 VAL 29 HG22 VAL 29 -3.670 0.139 0.687 177 HG23 VAL 29 HG23 VAL 29 -4.505 0.016 -0.861 Start of MODEL 12 1 H1 CYS 1 H CYS 1 1.503 0.219 0.157 2 HA CYS 1 HA CYS 1 3.148 0.268 -2.093 3 HB2 CYS 1 HB2 CYS 1 3.373 -0.643 0.692 4 HB3 CYS 1 HB3 CYS 1 4.431 -1.494 -0.429 5 H GLY 2 H GLY 2 1.129 -2.269 -0.803 6 HA2 GLY 2 HA2 GLY 2 0.574 -4.343 -1.614 7 HA3 GLY 2 HA3 GLY 2 1.078 -3.738 -3.185 8 H GLU 3 H GLU 3 2.976 -4.274 -0.232 9 HA GLU 3 HA GLU 3 4.502 -6.333 -1.677 10 HB2 GLU 3 HB2 GLU 3 5.435 -3.767 -0.871 11 HB3 GLU 3 HB3 GLU 3 6.230 -4.969 0.135 12 HG2 GLU 3 HG2 GLU 3 7.518 -4.424 -1.874 13 HG3 GLU 3 HG3 GLU 3 7.051 -6.123 -1.814 14 H THR 4 H THR 4 6.199 -7.230 0.131 15 HA THR 4 HA THR 4 4.829 -7.645 2.670 16 HB THR 4 HB THR 4 3.881 -9.460 1.472 17 HG1 THR 4 HG1 THR 4 6.094 -10.772 2.615 18 HG21 THR 4 HG21 THR 4 4.903 -9.976 -0.464 19 HG22 THR 4 HG22 THR 4 5.839 -11.107 0.513 20 HG23 THR 4 HG23 THR 4 6.492 -9.511 0.142 21 H CYS 5 H CYS 5 6.200 -7.978 4.344 22 HA CYS 5 HA CYS 5 9.038 -8.448 3.711 23 HB2 CYS 5 HB2 CYS 5 9.336 -6.974 5.895 24 HB3 CYS 5 HB3 CYS 5 9.197 -6.236 4.303 25 H VAL 6 H VAL 6 8.586 -10.680 4.192 26 HA VAL 6 HA VAL 6 7.548 -11.596 6.634 27 HB VAL 6 HB VAL 6 9.583 -13.012 4.910 28 HG11 VAL 6 HG11 VAL 6 7.601 -13.965 6.964 29 HG12 VAL 6 HG12 VAL 6 8.400 -15.040 5.816 30 HG13 VAL 6 HG13 VAL 6 9.356 -14.134 6.989 31 HG21 VAL 6 HG21 VAL 6 6.597 -12.775 4.659 32 HG22 VAL 6 HG22 VAL 6 7.829 -12.428 3.446 33 HG23 VAL 6 HG23 VAL 6 7.508 -14.094 3.925 34 H GLY 7 H GLY 7 10.565 -10.176 5.873 35 HA2 GLY 7 HA2 GLY 7 11.768 -11.213 8.355 36 HA3 GLY 7 HA3 GLY 7 12.662 -10.511 7.015 37 H GLY 8 H GLY 8 10.000 -8.625 7.387 38 HA2 GLY 8 HA2 GLY 8 9.553 -6.640 8.476 39 HA3 GLY 8 HA3 GLY 8 10.770 -7.072 9.667 40 H THR 9 H THR 9 11.220 -6.746 6.179 41 HA THR 9 HA THR 9 12.992 -4.449 6.706 42 HB THR 9 HB THR 9 14.475 -6.174 6.121 43 HG1 THR 9 HG1 THR 9 15.321 -4.858 4.705 44 HG21 THR 9 HG21 THR 9 12.609 -6.918 3.865 45 HG22 THR 9 HG22 THR 9 12.796 -7.805 5.378 46 HG23 THR 9 HG23 THR 9 14.143 -7.700 4.244 47 H CYS 10 H CYS 10 11.238 -3.026 6.244 48 HA CYS 10 HA CYS 10 10.788 -2.703 3.362 49 HB2 CYS 10 HB2 CYS 10 8.766 -3.196 5.437 50 HB3 CYS 10 HB3 CYS 10 8.421 -1.805 4.415 51 H ASN 11 H ASN 11 12.622 -1.183 3.995 52 HA ASN 11 HA ASN 11 11.735 1.254 5.320 53 HB2 ASN 11 HB2 ASN 11 14.399 0.266 4.326 54 HB3 ASN 11 HB3 ASN 11 14.166 1.947 4.794 55 HD21 ASN 11 HD21 ASN 11 13.997 -1.371 5.927 56 HD22 ASN 11 HD22 ASN 11 14.233 -1.008 7.599 57 H THR 12 H THR 12 10.237 2.054 3.821 58 HA THR 12 HA THR 12 11.429 3.068 1.322 59 HB THR 12 HB THR 12 8.653 3.067 0.960 60 HG1 THR 12 HG1 THR 12 9.481 0.499 1.861 61 HG21 THR 12 HG21 THR 12 9.467 0.901 -0.450 62 HG22 THR 12 HG22 THR 12 11.014 1.691 -0.142 63 HG23 THR 12 HG23 THR 12 9.724 2.567 -0.966 64 HA PRO 13 HA PRO 13 10.390 7.133 2.629 65 HB2 PRO 13 HB2 PRO 13 9.989 8.337 0.229 66 HB3 PRO 13 HB3 PRO 13 11.592 7.881 0.819 67 HG2 PRO 13 HG2 PRO 13 9.809 6.455 -1.118 68 HG3 PRO 13 HG3 PRO 13 11.559 6.728 -1.201 69 HD2 PRO 13 HD2 PRO 13 10.488 4.374 -0.399 70 HD3 PRO 13 HD3 PRO 13 12.025 4.991 0.240 71 H GLY 14 H GLY 14 8.392 6.695 3.681 72 HA2 GLY 14 HA2 GLY 14 6.221 7.694 3.858 73 HA3 GLY 14 HA3 GLY 14 6.069 7.584 2.111 74 H CYS 15 H CYS 15 7.404 4.762 3.291 75 HA CYS 15 HA CYS 15 4.768 3.482 3.568 76 HB2 CYS 15 HB2 CYS 15 6.618 3.113 1.457 77 HB3 CYS 15 HB3 CYS 15 6.670 1.653 2.439 78 H THR 16 H THR 16 4.648 1.716 4.960 79 HA THR 16 HA THR 16 7.021 1.296 6.660 80 HB THR 16 HB THR 16 5.363 0.782 8.509 81 HG1 THR 16 HG1 THR 16 3.275 1.203 8.188 82 HG21 THR 16 HG21 THR 16 4.785 3.302 8.787 83 HG22 THR 16 HG22 THR 16 5.765 3.508 7.336 84 HG23 THR 16 HG23 THR 16 6.475 2.801 8.787 85 H CYS 17 H CYS 17 6.524 -0.792 8.099 86 HA CYS 17 HA CYS 17 5.967 -2.929 6.163 87 HB2 CYS 17 HB2 CYS 17 8.218 -2.810 7.310 88 HB3 CYS 17 HB3 CYS 17 7.388 -3.189 8.815 89 H SER 18 H SER 18 4.800 -4.813 6.855 90 HA SER 18 HA SER 18 3.238 -4.619 9.296 91 HB2 SER 18 HB2 SER 18 1.969 -4.610 6.550 92 HB3 SER 18 HB3 SER 18 1.089 -4.963 8.037 93 HG SER 18 HG SER 18 1.747 -2.580 6.995 94 H TRP 19 H TRP 19 5.098 -6.440 9.036 95 HA TRP 19 HA TRP 19 4.927 -8.747 7.698 96 HB2 TRP 19 HB2 TRP 19 6.503 -8.271 9.581 97 HB3 TRP 19 HB3 TRP 19 5.210 -8.672 10.709 98 HD1 TRP 19 HD1 TRP 19 7.879 -10.239 8.580 99 HE1 TRP 19 HE1 TRP 19 7.825 -12.796 8.867 100 HE3 TRP 19 HE3 TRP 19 3.462 -10.677 11.117 101 HZ2 TRP 19 HZ2 TRP 19 6.133 -14.742 10.016 102 HZ3 TRP 19 HZ3 TRP 19 2.696 -12.922 11.772 103 HH2 TRP 19 HH2 TRP 19 4.005 -14.911 11.232 104 HA PRO 20 HA PRO 20 4.931 -10.905 7.603 105 HB2 PRO 20 HB2 PRO 20 3.516 -12.295 5.749 106 HB3 PRO 20 HB3 PRO 20 3.815 -12.901 7.382 107 HG2 PRO 20 HG2 PRO 20 1.375 -11.565 6.275 108 HG3 PRO 20 HG3 PRO 20 1.491 -12.978 7.340 109 HD2 PRO 20 HD2 PRO 20 0.906 -10.500 8.263 110 HD3 PRO 20 HD3 PRO 20 1.811 -11.688 9.224 111 H VAL 21 H VAL 21 2.054 -9.482 6.093 112 HA VAL 21 HA VAL 21 3.286 -8.876 3.613 113 HB VAL 21 HB VAL 21 1.362 -7.545 3.118 114 HG11 VAL 21 HG11 VAL 21 1.132 -10.063 3.342 115 HG12 VAL 21 HG12 VAL 21 0.321 -9.750 4.877 116 HG13 VAL 21 HG13 VAL 21 -0.363 -9.129 3.375 117 HG21 VAL 21 HG21 VAL 21 -0.321 -7.003 4.860 118 HG22 VAL 21 HG22 VAL 21 0.799 -7.608 6.081 119 HG23 VAL 21 HG23 VAL 21 1.229 -6.200 5.110 120 H CYS 22 H CYS 22 2.772 -6.245 3.095 121 HA CYS 22 HA CYS 22 4.215 -4.656 5.073 122 HB2 CYS 22 HB2 CYS 22 5.359 -5.607 2.573 123 HB3 CYS 22 HB3 CYS 22 5.369 -3.850 2.670 124 H GLY 23 H GLY 23 4.275 -2.305 4.405 125 HA2 GLY 23 HA2 GLY 23 3.214 -0.720 2.754 126 HA3 GLY 23 HA3 GLY 23 1.747 -1.650 3.023 127 H HIS 24 H HIS 24 0.473 -1.198 4.751 128 HA HIS 24 HA HIS 24 1.483 0.608 6.817 129 HB2 HIS 24 HB2 HIS 24 -1.039 1.145 5.235 130 HB3 HIS 24 HB3 HIS 24 -0.473 2.080 6.616 131 HD1 HIS 24 HD1 HIS 24 1.642 3.581 6.234 132 HD2 HIS 24 HD2 HIS 24 0.157 1.751 2.812 133 HE1 HIS 24 HE1 HIS 24 2.733 4.772 4.307 134 H PHE 25 H PHE 25 -0.706 1.069 8.280 135 HA PHE 25 HA PHE 25 -1.524 -1.631 9.088 136 HB2 PHE 25 HB2 PHE 25 -0.355 -0.351 10.806 137 HB3 PHE 25 HB3 PHE 25 -1.515 0.963 10.644 138 HD1 PHE 25 HD1 PHE 25 -1.066 -2.515 11.771 139 HD2 PHE 25 HD2 PHE 25 -3.615 0.894 11.735 140 HE1 PHE 25 HE1 PHE 25 -2.478 -3.557 13.496 141 HE2 PHE 25 HE2 PHE 25 -5.030 -0.142 13.460 142 HZ PHE 25 HZ PHE 25 -4.462 -2.370 14.343 143 H ARG 26 H ARG 26 -2.705 1.345 7.839 144 HA ARG 26 HA ARG 26 -5.479 0.648 8.466 145 HB2 ARG 26 HB2 ARG 26 -4.464 3.009 8.760 146 HB3 ARG 26 HB3 ARG 26 -4.601 3.126 7.010 147 HG2 ARG 26 HG2 ARG 26 -6.975 2.868 7.111 148 HG3 ARG 26 HG3 ARG 26 -6.909 2.507 8.838 149 HD2 ARG 26 HD2 ARG 26 -6.049 5.116 7.595 150 HD3 ARG 26 HD3 ARG 26 -7.627 4.829 8.328 151 HE ARG 26 HE ARG 26 -5.664 4.156 10.197 152 HH11 ARG 26 HH11 ARG 26 -6.888 6.968 8.550 153 HH12 ARG 26 HH12 ARG 26 -6.476 8.058 9.831 154 HH21 ARG 26 HH21 ARG 26 -5.117 5.581 11.891 155 HH22 ARG 26 HH22 ARG 26 -5.469 7.269 11.731 156 H TRP 27 H TRP 27 -3.823 1.983 5.602 157 HA TRP 27 HA TRP 27 -5.707 0.558 3.891 158 HB2 TRP 27 HB2 TRP 27 -3.524 2.458 3.027 159 HB3 TRP 27 HB3 TRP 27 -4.945 1.963 2.112 160 HD1 TRP 27 HD1 TRP 27 -7.210 2.505 4.221 161 HE1 TRP 27 HE1 TRP 27 -7.789 4.916 4.910 162 HE3 TRP 27 HE3 TRP 27 -2.837 4.799 2.897 163 HZ2 TRP 27 HZ2 TRP 27 -6.555 7.455 4.893 164 HZ3 TRP 27 HZ3 TRP 27 -2.618 7.222 3.266 165 HH2 TRP 27 HH2 TRP 27 -4.440 8.521 4.243 166 H GLY 28 H GLY 28 -2.198 1.165 3.632 167 HA2 GLY 28 HA2 GLY 28 -0.462 -0.316 3.261 168 HA3 GLY 28 HA3 GLY 28 -1.593 -1.640 3.495 169 H VAL 29 H VAL 29 -0.523 0.791 1.156 170 HA VAL 29 HA VAL 29 -1.073 -1.147 -0.981 171 HB VAL 29 HB VAL 29 -1.755 0.816 -2.440 172 HG11 VAL 29 HG11 VAL 29 -4.096 0.886 -1.360 173 HG12 VAL 29 HG12 VAL 29 -3.466 -0.668 -1.909 174 HG13 VAL 29 HG13 VAL 29 -3.424 -0.253 -0.195 175 HG21 VAL 29 HG21 VAL 29 -1.061 2.277 -0.175 176 HG22 VAL 29 HG22 VAL 29 -1.869 2.883 -1.621 177 HG23 VAL 29 HG23 VAL 29 -2.822 2.348 -0.236 Start of MODEL 13 1 H1 CYS 1 H CYS 1 1.142 -0.004 0.773 2 HA CYS 1 HA CYS 1 2.175 0.589 -1.712 3 HB2 CYS 1 HB2 CYS 1 3.212 -0.103 0.782 4 HB3 CYS 1 HB3 CYS 1 3.856 -1.324 -0.311 5 H GLY 2 H GLY 2 1.270 -2.560 -0.396 6 HA2 GLY 2 HA2 GLY 2 0.642 -4.463 -1.568 7 HA3 GLY 2 HA3 GLY 2 1.028 -3.631 -3.067 8 H GLU 3 H GLU 3 2.850 -4.669 -0.178 9 HA GLU 3 HA GLU 3 4.605 -6.239 -1.912 10 HB2 GLU 3 HB2 GLU 3 5.693 -4.288 0.121 11 HB3 GLU 3 HB3 GLU 3 6.620 -5.293 -0.985 12 HG2 GLU 3 HG2 GLU 3 5.532 -4.043 -2.870 13 HG3 GLU 3 HG3 GLU 3 4.883 -2.937 -1.661 14 H THR 4 H THR 4 6.477 -7.033 -0.108 15 HA THR 4 HA THR 4 5.062 -8.040 2.243 16 HB THR 4 HB THR 4 6.456 -10.283 1.461 17 HG1 THR 4 HG1 THR 4 6.601 -9.166 -0.667 18 HG21 THR 4 HG21 THR 4 4.173 -11.174 0.868 19 HG22 THR 4 HG22 THR 4 3.556 -9.538 1.102 20 HG23 THR 4 HG23 THR 4 4.292 -10.405 2.450 21 H CYS 5 H CYS 5 6.327 -8.160 4.005 22 HA CYS 5 HA CYS 5 9.244 -8.087 3.640 23 HB2 CYS 5 HB2 CYS 5 9.353 -6.517 5.596 24 HB3 CYS 5 HB3 CYS 5 8.632 -5.824 4.147 25 H VAL 6 H VAL 6 8.434 -10.465 4.035 26 HA VAL 6 HA VAL 6 7.628 -11.378 6.521 27 HB VAL 6 HB VAL 6 9.526 -12.728 4.596 28 HG11 VAL 6 HG11 VAL 6 9.757 -13.884 6.624 29 HG12 VAL 6 HG12 VAL 6 8.041 -13.737 7.004 30 HG13 VAL 6 HG13 VAL 6 8.569 -14.814 5.712 31 HG21 VAL 6 HG21 VAL 6 7.360 -13.984 4.031 32 HG22 VAL 6 HG22 VAL 6 6.534 -12.641 4.822 33 HG23 VAL 6 HG23 VAL 6 7.548 -12.344 3.410 34 H GLY 7 H GLY 7 10.779 -10.297 5.460 35 HA2 GLY 7 HA2 GLY 7 12.208 -11.352 7.712 36 HA3 GLY 7 HA3 GLY 7 12.813 -10.184 6.547 37 H GLY 8 H GLY 8 10.355 -8.491 7.132 38 HA2 GLY 8 HA2 GLY 8 9.583 -7.125 8.918 39 HA3 GLY 8 HA3 GLY 8 11.002 -7.587 9.847 40 H THR 9 H THR 9 11.465 -6.701 6.550 41 HA THR 9 HA THR 9 12.406 -4.037 7.388 42 HB THR 9 HB THR 9 14.397 -5.284 7.058 43 HG1 THR 9 HG1 THR 9 14.942 -3.524 5.994 44 HG21 THR 9 HG21 THR 9 14.374 -6.195 4.415 45 HG22 THR 9 HG22 THR 9 12.815 -6.677 5.085 46 HG23 THR 9 HG23 THR 9 14.309 -7.176 5.879 47 H CYS 10 H CYS 10 10.901 -2.714 6.548 48 HA CYS 10 HA CYS 10 10.638 -2.628 3.656 49 HB2 CYS 10 HB2 CYS 10 8.702 -3.971 5.077 50 HB3 CYS 10 HB3 CYS 10 8.024 -2.350 4.956 51 H ASN 11 H ASN 11 11.889 -0.938 5.613 52 HA ASN 11 HA ASN 11 10.195 1.346 6.042 53 HB2 ASN 11 HB2 ASN 11 12.335 2.417 6.827 54 HB3 ASN 11 HB3 ASN 11 11.901 0.935 7.674 55 HD21 ASN 11 HD21 ASN 11 14.326 2.572 6.095 56 HD22 ASN 11 HD22 ASN 11 15.421 1.259 5.848 57 H THR 12 H THR 12 9.520 1.879 3.928 58 HA THR 12 HA THR 12 11.618 2.971 2.175 59 HB THR 12 HB THR 12 9.373 2.976 0.623 60 HG1 THR 12 HG1 THR 12 9.266 0.526 2.058 61 HG21 THR 12 HG21 THR 12 10.611 0.397 0.416 62 HG22 THR 12 HG22 THR 12 11.840 1.619 0.741 63 HG23 THR 12 HG23 THR 12 10.768 1.793 -0.649 64 HA PRO 13 HA PRO 13 10.171 7.085 2.671 65 HB2 PRO 13 HB2 PRO 13 10.454 8.092 0.166 66 HB3 PRO 13 HB3 PRO 13 11.828 7.734 1.218 67 HG2 PRO 13 HG2 PRO 13 10.684 6.109 -1.020 68 HG3 PRO 13 HG3 PRO 13 12.382 6.433 -0.628 69 HD2 PRO 13 HD2 PRO 13 11.153 4.111 0.027 70 HD3 PRO 13 HD3 PRO 13 12.439 4.825 1.022 71 H GLY 14 H GLY 14 7.948 6.440 3.115 72 HA2 GLY 14 HA2 GLY 14 5.835 7.559 2.505 73 HA3 GLY 14 HA3 GLY 14 6.155 7.064 0.849 74 H CYS 15 H CYS 15 7.115 4.617 2.879 75 HA CYS 15 HA CYS 15 4.483 3.368 3.060 76 HB2 CYS 15 HB2 CYS 15 6.723 2.446 1.313 77 HB3 CYS 15 HB3 CYS 15 5.734 1.231 2.117 78 H THR 16 H THR 16 4.456 1.471 4.426 79 HA THR 16 HA THR 16 6.786 1.258 6.213 80 HB THR 16 HB THR 16 5.066 0.833 8.071 81 HG1 THR 16 HG1 THR 16 3.286 0.807 6.454 82 HG21 THR 16 HG21 THR 16 6.489 2.852 7.903 83 HG22 THR 16 HG22 THR 16 4.906 3.192 8.603 84 HG23 THR 16 HG23 THR 16 5.240 3.621 6.925 85 H CYS 17 H CYS 17 6.584 -0.745 7.649 86 HA CYS 17 HA CYS 17 5.960 -2.998 5.909 87 HB2 CYS 17 HB2 CYS 17 8.167 -2.870 7.042 88 HB3 CYS 17 HB3 CYS 17 7.348 -2.968 8.597 89 H SER 18 H SER 18 4.646 -4.735 6.522 90 HA SER 18 HA SER 18 3.054 -4.467 8.952 91 HB2 SER 18 HB2 SER 18 1.733 -4.792 6.250 92 HB3 SER 18 HB3 SER 18 0.936 -4.601 7.811 93 HG SER 18 HG SER 18 2.461 -2.684 6.388 94 H TRP 19 H TRP 19 4.922 -6.316 8.771 95 HA TRP 19 HA TRP 19 4.768 -8.667 7.537 96 HB2 TRP 19 HB2 TRP 19 6.219 -8.059 9.540 97 HB3 TRP 19 HB3 TRP 19 4.884 -8.604 10.552 98 HD1 TRP 19 HD1 TRP 19 7.702 -9.896 8.367 99 HE1 TRP 19 HE1 TRP 19 7.858 -12.453 8.618 100 HE3 TRP 19 HE3 TRP 19 3.408 -10.715 11.016 101 HZ2 TRP 19 HZ2 TRP 19 6.359 -14.541 9.784 102 HZ3 TRP 19 HZ3 TRP 19 2.841 -13.021 11.660 103 HH2 TRP 19 HH2 TRP 19 4.287 -14.893 11.055 104 HA PRO 20 HA PRO 20 4.749 -10.824 7.508 105 HB2 PRO 20 HB2 PRO 20 3.394 -12.259 5.644 106 HB3 PRO 20 HB3 PRO 20 3.620 -12.815 7.306 107 HG2 PRO 20 HG2 PRO 20 1.242 -11.491 6.059 108 HG3 PRO 20 HG3 PRO 20 1.299 -12.870 7.173 109 HD2 PRO 20 HD2 PRO 20 0.706 -10.358 7.993 110 HD3 PRO 20 HD3 PRO 20 1.558 -11.524 9.026 111 H VAL 21 H VAL 21 1.940 -9.482 5.795 112 HA VAL 21 HA VAL 21 3.308 -8.938 3.375 113 HB VAL 21 HB VAL 21 1.401 -7.623 2.739 114 HG11 VAL 21 HG11 VAL 21 1.231 -10.160 2.993 115 HG12 VAL 21 HG12 VAL 21 0.263 -9.828 4.430 116 HG13 VAL 21 HG13 VAL 21 -0.276 -9.256 2.850 117 HG21 VAL 21 HG21 VAL 21 -0.441 -7.282 4.487 118 HG22 VAL 21 HG22 VAL 21 0.818 -7.585 5.684 119 HG23 VAL 21 HG23 VAL 21 0.970 -6.228 4.568 120 H CYS 22 H CYS 22 2.861 -6.363 2.697 121 HA CYS 22 HA CYS 22 4.161 -4.684 4.710 122 HB2 CYS 22 HB2 CYS 22 5.995 -5.568 3.364 123 HB3 CYS 22 HB3 CYS 22 5.185 -5.055 1.887 124 H GLY 23 H GLY 23 3.710 -2.496 4.539 125 HA2 GLY 23 HA2 GLY 23 2.808 -0.953 2.544 126 HA3 GLY 23 HA3 GLY 23 1.363 -1.869 2.946 127 H HIS 24 H HIS 24 0.243 -1.415 4.811 128 HA HIS 24 HA HIS 24 1.324 0.525 6.689 129 HB2 HIS 24 HB2 HIS 24 -1.296 1.055 5.278 130 HB3 HIS 24 HB3 HIS 24 -0.506 2.085 6.468 131 HD1 HIS 24 HD1 HIS 24 1.315 3.651 5.640 132 HD2 HIS 24 HD2 HIS 24 -0.091 1.074 2.700 133 HE1 HIS 24 HE1 HIS 24 2.285 4.501 3.481 134 H PHE 25 H PHE 25 -0.912 1.119 8.123 135 HA PHE 25 HA PHE 25 -1.699 -1.526 9.133 136 HB2 PHE 25 HB2 PHE 25 -0.477 -0.087 10.719 137 HB3 PHE 25 HB3 PHE 25 -1.717 1.151 10.544 138 HD1 PHE 25 HD1 PHE 25 -0.999 -2.215 11.841 139 HD2 PHE 25 HD2 PHE 25 -3.791 0.994 11.693 140 HE1 PHE 25 HE1 PHE 25 -2.281 -3.250 13.668 141 HE2 PHE 25 HE2 PHE 25 -5.076 -0.035 13.521 142 HZ PHE 25 HZ PHE 25 -4.322 -2.159 14.512 143 H ARG 26 H ARG 26 -2.905 1.481 7.885 144 HA ARG 26 HA ARG 26 -5.666 0.752 8.514 145 HB2 ARG 26 HB2 ARG 26 -4.762 3.240 7.076 146 HB3 ARG 26 HB3 ARG 26 -6.267 2.971 7.944 147 HG2 ARG 26 HG2 ARG 26 -5.108 2.972 10.054 148 HG3 ARG 26 HG3 ARG 26 -3.550 3.086 9.233 149 HD2 ARG 26 HD2 ARG 26 -3.711 5.299 9.229 150 HD3 ARG 26 HD3 ARG 26 -5.194 5.191 8.282 151 HE ARG 26 HE ARG 26 -5.913 4.703 10.903 152 HH11 ARG 26 HH11 ARG 26 -4.467 7.303 9.094 153 HH12 ARG 26 HH12 ARG 26 -5.099 8.545 10.123 154 HH21 ARG 26 HH21 ARG 26 -6.751 6.330 12.265 155 HH22 ARG 26 HH22 ARG 26 -6.398 7.990 11.927 156 H TRP 27 H TRP 27 -3.900 1.940 5.647 157 HA TRP 27 HA TRP 27 -5.902 0.962 3.852 158 HB2 TRP 27 HB2 TRP 27 -3.114 1.721 3.022 159 HB3 TRP 27 HB3 TRP 27 -4.621 1.906 2.129 160 HD1 TRP 27 HD1 TRP 27 -6.298 3.444 4.367 161 HE1 TRP 27 HE1 TRP 27 -5.712 5.889 4.918 162 HE3 TRP 27 HE3 TRP 27 -1.498 3.543 2.611 163 HZ2 TRP 27 HZ2 TRP 27 -3.507 7.630 4.644 164 HZ3 TRP 27 HZ3 TRP 27 -0.219 5.637 2.793 165 HH2 TRP 27 HH2 TRP 27 -1.204 7.637 3.788 166 H GLY 28 H GLY 28 -2.423 0.168 3.964 167 HA2 GLY 28 HA2 GLY 28 -1.474 -1.980 4.071 168 HA3 GLY 28 HA3 GLY 28 -3.067 -2.673 3.810 169 H VAL 29 H VAL 29 -1.493 -0.184 1.861 170 HA VAL 29 HA VAL 29 -0.936 -2.099 -0.260 171 HB VAL 29 HB VAL 29 -2.112 -0.604 -1.937 172 HG11 VAL 29 HG11 VAL 29 -2.918 -2.844 -1.020 173 HG12 VAL 29 HG12 VAL 29 -4.027 -1.902 -0.022 174 HG13 VAL 29 HG13 VAL 29 -4.122 -1.804 -1.781 175 HG21 VAL 29 HG21 VAL 29 -2.540 0.974 0.327 176 HG22 VAL 29 HG22 VAL 29 -3.213 1.216 -1.285 177 HG23 VAL 29 HG23 VAL 29 -4.119 0.302 -0.079 Start of MODEL 14 1 H1 CYS 1 H CYS 1 1.604 -0.817 0.488 2 HA CYS 1 HA CYS 1 2.407 0.568 -1.841 3 HB2 CYS 1 HB2 CYS 1 3.641 -0.448 0.543 4 HB3 CYS 1 HB3 CYS 1 4.612 -0.906 -0.852 5 H GLY 2 H GLY 2 2.025 -2.820 -1.086 6 HA2 GLY 2 HA2 GLY 2 1.638 -4.424 -2.814 7 HA3 GLY 2 HA3 GLY 2 2.614 -3.443 -3.898 8 H GLU 3 H GLU 3 3.465 -4.406 -0.612 9 HA GLU 3 HA GLU 3 5.360 -6.377 -1.622 10 HB2 GLU 3 HB2 GLU 3 7.057 -5.186 0.042 11 HB3 GLU 3 HB3 GLU 3 6.939 -4.728 -1.652 12 HG2 GLU 3 HG2 GLU 3 5.696 -2.799 -1.157 13 HG3 GLU 3 HG3 GLU 3 5.359 -3.342 0.486 14 H THR 4 H THR 4 6.573 -7.388 0.309 15 HA THR 4 HA THR 4 4.844 -7.497 2.682 16 HB THR 4 HB THR 4 4.110 -9.435 1.617 17 HG1 THR 4 HG1 THR 4 4.932 -9.904 3.725 18 HG21 THR 4 HG21 THR 4 5.318 -9.834 -0.271 19 HG22 THR 4 HG22 THR 4 6.051 -11.064 0.759 20 HG23 THR 4 HG23 THR 4 6.862 -9.517 0.519 21 H CYS 5 H CYS 5 5.964 -7.235 4.494 22 HA CYS 5 HA CYS 5 8.869 -7.398 4.412 23 HB2 CYS 5 HB2 CYS 5 6.962 -6.395 6.535 24 HB3 CYS 5 HB3 CYS 5 8.715 -6.384 6.696 25 H VAL 6 H VAL 6 7.985 -9.886 4.130 26 HA VAL 6 HA VAL 6 7.267 -11.461 6.238 27 HB VAL 6 HB VAL 6 9.374 -12.149 4.184 28 HG11 VAL 6 HG11 VAL 6 9.596 -13.910 5.601 29 HG12 VAL 6 HG12 VAL 6 7.977 -13.716 6.275 30 HG13 VAL 6 HG13 VAL 6 8.192 -14.482 4.700 31 HG21 VAL 6 HG21 VAL 6 7.213 -13.362 3.256 32 HG22 VAL 6 HG22 VAL 6 6.403 -12.052 4.115 33 HG23 VAL 6 HG23 VAL 6 7.577 -11.685 2.851 34 H GLY 7 H GLY 7 10.538 -10.302 5.487 35 HA2 GLY 7 HA2 GLY 7 11.438 -11.353 8.090 36 HA3 GLY 7 HA3 GLY 7 12.491 -10.990 6.731 37 H GLY 8 H GLY 8 10.006 -8.711 7.369 38 HA2 GLY 8 HA2 GLY 8 10.041 -6.571 8.198 39 HA3 GLY 8 HA3 GLY 8 11.276 -7.122 9.321 40 H THR 9 H THR 9 11.143 -6.682 5.785 41 HA THR 9 HA THR 9 13.221 -4.654 5.944 42 HB THR 9 HB THR 9 14.644 -6.550 5.809 43 HG1 THR 9 HG1 THR 9 15.702 -6.031 3.965 44 HG21 THR 9 HG21 THR 9 13.672 -8.468 5.159 45 HG22 THR 9 HG22 THR 9 14.100 -7.966 3.524 46 HG23 THR 9 HG23 THR 9 12.488 -7.632 4.155 47 H CYS 10 H CYS 10 11.198 -3.557 5.205 48 HA CYS 10 HA CYS 10 11.224 -3.396 2.305 49 HB2 CYS 10 HB2 CYS 10 8.813 -3.614 2.068 50 HB3 CYS 10 HB3 CYS 10 9.475 -5.073 2.797 51 H ASN 11 H ASN 11 12.113 -1.658 4.398 52 HA ASN 11 HA ASN 11 10.197 0.418 4.817 53 HB2 ASN 11 HB2 ASN 11 13.200 0.357 5.169 54 HB3 ASN 11 HB3 ASN 11 12.178 1.708 5.651 55 HD21 ASN 11 HD21 ASN 11 13.410 -1.339 6.492 56 HD22 ASN 11 HD22 ASN 11 12.568 -1.531 7.989 57 H THR 12 H THR 12 9.608 1.965 3.457 58 HA THR 12 HA THR 12 11.479 2.783 1.337 59 HB THR 12 HB THR 12 9.057 3.192 0.145 60 HG1 THR 12 HG1 THR 12 8.261 1.806 2.026 61 HG21 THR 12 HG21 THR 12 9.908 0.557 -0.536 62 HG22 THR 12 HG22 THR 12 11.335 1.541 -0.212 63 HG23 THR 12 HG23 THR 12 10.162 2.060 -1.422 64 HA PRO 13 HA PRO 13 10.602 6.941 2.433 65 HB2 PRO 13 HB2 PRO 13 10.632 8.187 0.022 66 HB3 PRO 13 HB3 PRO 13 12.094 7.579 0.807 67 HG2 PRO 13 HG2 PRO 13 10.456 6.336 -1.368 68 HG3 PRO 13 HG3 PRO 13 12.219 6.443 -1.218 69 HD2 PRO 13 HD2 PRO 13 10.838 4.197 -0.602 70 HD3 PRO 13 HD3 PRO 13 12.329 4.663 0.242 71 H GLY 14 H GLY 14 8.390 6.388 3.128 72 HA2 GLY 14 HA2 GLY 14 6.371 7.855 2.925 73 HA3 GLY 14 HA3 GLY 14 6.363 7.398 1.228 74 H CYS 15 H CYS 15 7.347 4.747 2.923 75 HA CYS 15 HA CYS 15 4.616 3.788 3.418 76 HB2 CYS 15 HB2 CYS 15 6.371 2.926 1.306 77 HB3 CYS 15 HB3 CYS 15 6.083 1.592 2.419 78 H THR 16 H THR 16 4.517 1.889 4.798 79 HA THR 16 HA THR 16 6.887 1.621 6.532 80 HB THR 16 HB THR 16 4.266 1.072 7.769 81 HG1 THR 16 HG1 THR 16 4.211 3.522 8.130 82 HG21 THR 16 HG21 THR 16 5.659 2.849 9.337 83 HG22 THR 16 HG22 THR 16 6.945 1.973 8.507 84 HG23 THR 16 HG23 THR 16 5.746 1.092 9.454 85 H CYS 17 H CYS 17 6.480 -0.415 8.043 86 HA CYS 17 HA CYS 17 6.006 -2.648 6.204 87 HB2 CYS 17 HB2 CYS 17 7.835 -2.157 8.443 88 HB3 CYS 17 HB3 CYS 17 7.077 -3.746 8.488 89 H SER 18 H SER 18 4.772 -4.463 6.836 90 HA SER 18 HA SER 18 3.162 -4.262 9.251 91 HB2 SER 18 HB2 SER 18 1.862 -4.474 6.525 92 HB3 SER 18 HB3 SER 18 1.037 -4.446 8.084 93 HG SER 18 HG SER 18 2.103 -2.377 6.607 94 H TRP 19 H TRP 19 5.007 -6.084 9.103 95 HA TRP 19 HA TRP 19 4.885 -8.405 7.768 96 HB2 TRP 19 HB2 TRP 19 6.418 -7.933 9.670 97 HB3 TRP 19 HB3 TRP 19 5.094 -8.265 10.783 98 HD1 TRP 19 HD1 TRP 19 7.811 -9.956 8.853 99 HE1 TRP 19 HE1 TRP 19 7.671 -12.504 9.191 100 HE3 TRP 19 HE3 TRP 19 3.227 -10.227 11.101 101 HZ2 TRP 19 HZ2 TRP 19 5.858 -14.380 10.267 102 HZ3 TRP 19 HZ3 TRP 19 2.363 -12.436 11.754 103 HH2 TRP 19 HH2 TRP 19 3.652 -14.468 11.344 104 HA PRO 20 HA PRO 20 4.897 -10.569 7.710 105 HB2 PRO 20 HB2 PRO 20 3.544 -11.990 5.834 106 HB3 PRO 20 HB3 PRO 20 3.791 -12.570 7.485 107 HG2 PRO 20 HG2 PRO 20 1.387 -11.256 6.279 108 HG3 PRO 20 HG3 PRO 20 1.470 -12.651 7.370 109 HD2 PRO 20 HD2 PRO 20 0.853 -10.161 8.235 110 HD3 PRO 20 HD3 PRO 20 1.728 -11.331 9.242 111 H VAL 21 H VAL 21 2.058 -9.233 6.042 112 HA VAL 21 HA VAL 21 3.372 -8.646 3.611 113 HB VAL 21 HB VAL 21 1.463 -7.324 3.032 114 HG11 VAL 21 HG11 VAL 21 1.163 -9.775 3.134 115 HG12 VAL 21 HG12 VAL 21 0.521 -9.603 4.769 116 HG13 VAL 21 HG13 VAL 21 -0.337 -8.889 3.403 117 HG21 VAL 21 HG21 VAL 21 0.862 -7.322 5.983 118 HG22 VAL 21 HG22 VAL 21 1.211 -5.935 4.952 119 HG23 VAL 21 HG23 VAL 21 -0.298 -6.825 4.751 120 H CYS 22 H CYS 22 2.920 -6.049 2.995 121 HA CYS 22 HA CYS 22 4.331 -4.435 4.990 122 HB2 CYS 22 HB2 CYS 22 5.981 -5.415 3.351 123 HB3 CYS 22 HB3 CYS 22 5.168 -4.498 2.088 124 H GLY 23 H GLY 23 4.098 -2.152 4.701 125 HA2 GLY 23 HA2 GLY 23 3.071 -0.531 2.949 126 HA3 GLY 23 HA3 GLY 23 1.628 -1.486 3.255 127 H HIS 24 H HIS 24 0.423 -1.102 5.056 128 HA HIS 24 HA HIS 24 1.465 0.608 7.162 129 HB2 HIS 24 HB2 HIS 24 -1.018 1.396 5.627 130 HB3 HIS 24 HB3 HIS 24 -0.301 2.260 6.984 131 HD1 HIS 24 HD1 HIS 24 1.617 3.842 6.484 132 HD2 HIS 24 HD2 HIS 24 0.432 1.617 3.181 133 HE1 HIS 24 HE1 HIS 24 2.807 4.867 4.521 134 H PHE 25 H PHE 25 -0.819 1.180 8.518 135 HA PHE 25 HA PHE 25 -1.752 -1.499 9.267 136 HB2 PHE 25 HB2 PHE 25 -0.656 -0.150 11.026 137 HB3 PHE 25 HB3 PHE 25 -1.890 1.090 10.828 138 HD1 PHE 25 HD1 PHE 25 -1.155 -2.248 12.115 139 HD2 PHE 25 HD2 PHE 25 -4.137 0.754 11.650 140 HE1 PHE 25 HE1 PHE 25 -2.567 -3.400 13.768 141 HE2 PHE 25 HE2 PHE 25 -5.553 -0.393 13.303 142 HZ PHE 25 HZ PHE 25 -4.769 -2.472 14.365 143 H ARG 26 H ARG 26 -2.791 1.476 7.906 144 HA ARG 26 HA ARG 26 -5.610 0.922 8.413 145 HB2 ARG 26 HB2 ARG 26 -4.027 3.268 7.666 146 HB3 ARG 26 HB3 ARG 26 -5.520 3.116 6.749 147 HG2 ARG 26 HG2 ARG 26 -6.491 2.677 9.194 148 HG3 ARG 26 HG3 ARG 26 -5.101 3.679 9.618 149 HD2 ARG 26 HD2 ARG 26 -5.878 5.488 8.338 150 HD3 ARG 26 HD3 ARG 26 -7.032 4.481 7.464 151 HE ARG 26 HE ARG 26 -8.536 4.866 9.130 152 HH11 ARG 26 HH11 ARG 26 -5.339 5.481 10.362 153 HH12 ARG 26 HH12 ARG 26 -5.899 6.066 11.893 154 HH21 ARG 26 HH21 ARG 26 -9.287 5.635 11.142 155 HH22 ARG 26 HH22 ARG 26 -8.145 6.153 12.336 156 H TRP 27 H TRP 27 -3.977 2.063 5.469 157 HA TRP 27 HA TRP 27 -5.836 0.758 3.764 158 HB2 TRP 27 HB2 TRP 27 -3.107 1.796 2.987 159 HB3 TRP 27 HB3 TRP 27 -4.513 1.588 1.946 160 HD1 TRP 27 HD1 TRP 27 -6.755 3.112 3.312 161 HE1 TRP 27 HE1 TRP 27 -6.636 5.645 3.754 162 HE3 TRP 27 HE3 TRP 27 -1.683 3.730 3.135 163 HZ2 TRP 27 HZ2 TRP 27 -4.654 7.641 3.994 164 HZ3 TRP 27 HZ3 TRP 27 -0.757 5.983 3.480 165 HH2 TRP 27 HH2 TRP 27 -2.213 7.897 3.900 166 H GLY 28 H GLY 28 -2.303 0.258 3.905 167 HA2 GLY 28 HA2 GLY 28 -1.207 -1.814 4.181 168 HA3 GLY 28 HA3 GLY 28 -2.734 -2.634 3.894 169 H VAL 29 H VAL 29 -1.271 -0.118 1.894 170 HA VAL 29 HA VAL 29 -0.708 -2.123 -0.177 171 HB VAL 29 HB VAL 29 -1.634 -0.634 -1.909 172 HG11 VAL 29 HG11 VAL 29 -3.842 -1.326 -1.668 173 HG12 VAL 29 HG12 VAL 29 -2.949 -2.474 -0.669 174 HG13 VAL 29 HG13 VAL 29 -3.814 -1.134 0.085 175 HG21 VAL 29 HG21 VAL 29 -1.924 1.147 0.377 176 HG22 VAL 29 HG22 VAL 29 -1.879 1.516 -1.347 177 HG23 VAL 29 HG23 VAL 29 -3.393 1.021 -0.591 Start of MODEL 15 1 H1 CYS 1 H CYS 1 0.913 0.327 0.558 2 HA CYS 1 HA CYS 1 2.357 0.485 -1.752 3 HB2 CYS 1 HB2 CYS 1 2.945 0.037 0.919 4 HB3 CYS 1 HB3 CYS 1 3.583 -1.394 0.116 5 H GLY 2 H GLY 2 0.919 -2.400 -0.328 6 HA2 GLY 2 HA2 GLY 2 0.483 -4.466 -1.232 7 HA3 GLY 2 HA3 GLY 2 0.763 -3.743 -2.810 8 H GLU 3 H GLU 3 2.731 -4.581 0.048 9 HA GLU 3 HA GLU 3 4.495 -6.122 -1.717 10 HB2 GLU 3 HB2 GLU 3 5.431 -4.079 0.306 11 HB3 GLU 3 HB3 GLU 3 6.478 -5.180 -0.579 12 HG2 GLU 3 HG2 GLU 3 4.706 -3.564 -2.261 13 HG3 GLU 3 HG3 GLU 3 5.893 -2.646 -1.338 14 H THR 4 H THR 4 6.349 -7.012 -0.004 15 HA THR 4 HA THR 4 4.993 -8.053 2.366 16 HB THR 4 HB THR 4 6.329 -10.295 1.445 17 HG1 THR 4 HG1 THR 4 4.856 -9.150 -0.713 18 HG21 THR 4 HG21 THR 4 4.218 -10.376 2.589 19 HG22 THR 4 HG22 THR 4 4.028 -11.177 1.029 20 HG23 THR 4 HG23 THR 4 3.413 -9.541 1.261 21 H CYS 5 H CYS 5 6.304 -8.064 4.075 22 HA CYS 5 HA CYS 5 9.213 -8.080 3.607 23 HB2 CYS 5 HB2 CYS 5 9.434 -6.573 5.572 24 HB3 CYS 5 HB3 CYS 5 8.561 -5.834 4.233 25 H VAL 6 H VAL 6 8.151 -10.464 3.963 26 HA VAL 6 HA VAL 6 7.574 -11.411 6.494 27 HB VAL 6 HB VAL 6 8.329 -13.606 5.740 28 HG11 VAL 6 HG11 VAL 6 6.222 -13.259 4.914 29 HG12 VAL 6 HG12 VAL 6 6.712 -11.873 3.938 30 HG13 VAL 6 HG13 VAL 6 7.108 -13.510 3.410 31 HG21 VAL 6 HG21 VAL 6 9.845 -11.971 3.795 32 HG22 VAL 6 HG22 VAL 6 10.280 -13.485 4.586 33 HG23 VAL 6 HG23 VAL 6 9.179 -13.495 3.209 34 H GLY 7 H GLY 7 10.677 -10.597 5.083 35 HA2 GLY 7 HA2 GLY 7 12.263 -11.848 7.104 36 HA3 GLY 7 HA3 GLY 7 12.817 -10.659 5.934 37 H GLY 8 H GLY 8 10.646 -8.784 6.849 38 HA2 GLY 8 HA2 GLY 8 10.178 -7.474 8.784 39 HA3 GLY 8 HA3 GLY 8 11.635 -8.113 9.531 40 H THR 9 H THR 9 11.278 -6.710 6.303 41 HA THR 9 HA THR 9 12.662 -4.289 7.137 42 HB THR 9 HB THR 9 14.580 -5.595 6.648 43 HG1 THR 9 HG1 THR 9 15.336 -4.548 4.703 44 HG21 THR 9 HG21 THR 9 14.294 -7.464 5.454 45 HG22 THR 9 HG22 THR 9 14.409 -6.451 4.015 46 HG23 THR 9 HG23 THR 9 12.830 -6.840 4.695 47 H CYS 10 H CYS 10 11.138 -2.902 6.437 48 HA CYS 10 HA CYS 10 10.717 -2.701 3.570 49 HB2 CYS 10 HB2 CYS 10 8.821 -4.033 5.073 50 HB3 CYS 10 HB3 CYS 10 8.183 -2.394 4.998 51 H ASN 11 H ASN 11 12.112 -1.122 5.533 52 HA ASN 11 HA ASN 11 10.497 1.195 6.101 53 HB2 ASN 11 HB2 ASN 11 12.700 2.167 6.861 54 HB3 ASN 11 HB3 ASN 11 12.217 0.685 7.682 55 HD21 ASN 11 HD21 ASN 11 14.659 2.251 6.021 56 HD22 ASN 11 HD22 ASN 11 15.698 0.899 5.748 57 H THR 12 H THR 12 9.799 1.773 3.989 58 HA THR 12 HA THR 12 11.896 2.921 2.269 59 HB THR 12 HB THR 12 9.641 2.945 0.718 60 HG1 THR 12 HG1 THR 12 9.605 0.472 2.129 61 HG21 THR 12 HG21 THR 12 11.535 0.605 0.922 62 HG22 THR 12 HG22 THR 12 11.951 2.143 0.167 63 HG23 THR 12 HG23 THR 12 10.656 1.153 -0.504 64 HA PRO 13 HA PRO 13 10.407 7.004 2.883 65 HB2 PRO 13 HB2 PRO 13 10.711 8.091 0.414 66 HB3 PRO 13 HB3 PRO 13 12.076 7.713 1.471 67 HG2 PRO 13 HG2 PRO 13 10.972 6.148 -0.830 68 HG3 PRO 13 HG3 PRO 13 12.663 6.475 -0.407 69 HD2 PRO 13 HD2 PRO 13 11.448 4.123 0.161 70 HD3 PRO 13 HD3 PRO 13 12.715 4.817 1.192 71 H GLY 14 H GLY 14 8.184 6.323 3.279 72 HA2 GLY 14 HA2 GLY 14 6.074 7.460 2.661 73 HA3 GLY 14 HA3 GLY 14 6.413 6.979 1.005 74 H CYS 15 H CYS 15 7.372 4.508 2.989 75 HA CYS 15 HA CYS 15 4.738 3.250 3.138 76 HB2 CYS 15 HB2 CYS 15 7.009 2.359 1.418 77 HB3 CYS 15 HB3 CYS 15 6.029 1.126 2.207 78 H THR 16 H THR 16 4.625 1.483 4.590 79 HA THR 16 HA THR 16 6.956 1.207 6.372 80 HB THR 16 HB THR 16 5.202 0.821 8.214 81 HG1 THR 16 HG1 THR 16 3.284 2.248 7.632 82 HG21 THR 16 HG21 THR 16 6.483 2.736 8.484 83 HG22 THR 16 HG22 THR 16 4.849 3.395 8.391 84 HG23 THR 16 HG23 THR 16 5.907 3.456 6.982 85 H CYS 17 H CYS 17 6.870 -0.792 7.720 86 HA CYS 17 HA CYS 17 6.128 -3.040 6.032 87 HB2 CYS 17 HB2 CYS 17 8.371 -2.957 7.065 88 HB3 CYS 17 HB3 CYS 17 7.626 -2.990 8.660 89 H SER 18 H SER 18 4.800 -4.746 6.673 90 HA SER 18 HA SER 18 3.309 -4.477 9.167 91 HB2 SER 18 HB2 SER 18 1.897 -4.724 6.502 92 HB3 SER 18 HB3 SER 18 1.143 -4.593 8.091 93 HG SER 18 HG SER 18 1.847 -2.496 8.241 94 H TRP 19 H TRP 19 5.127 -6.356 8.919 95 HA TRP 19 HA TRP 19 4.891 -8.692 7.662 96 HB2 TRP 19 HB2 TRP 19 6.417 -8.121 9.625 97 HB3 TRP 19 HB3 TRP 19 5.110 -8.671 10.671 98 HD1 TRP 19 HD1 TRP 19 7.835 -9.954 8.362 99 HE1 TRP 19 HE1 TRP 19 7.976 -12.516 8.570 100 HE3 TRP 19 HE3 TRP 19 3.640 -10.773 11.166 101 HZ2 TRP 19 HZ2 TRP 19 6.504 -14.607 9.765 102 HZ3 TRP 19 HZ3 TRP 19 3.077 -13.083 11.799 103 HH2 TRP 19 HH2 TRP 19 4.480 -14.959 11.112 104 HA PRO 20 HA PRO 20 4.833 -10.848 7.614 105 HB2 PRO 20 HB2 PRO 20 3.388 -12.240 5.785 106 HB3 PRO 20 HB3 PRO 20 3.662 -12.817 7.433 107 HG2 PRO 20 HG2 PRO 20 1.267 -11.439 6.283 108 HG3 PRO 20 HG3 PRO 20 1.338 -12.830 7.381 109 HD2 PRO 20 HD2 PRO 20 0.818 -10.316 8.244 110 HD3 PRO 20 HD3 PRO 20 1.685 -11.507 9.236 111 H VAL 21 H VAL 21 1.988 -9.450 6.005 112 HA VAL 21 HA VAL 21 3.282 -8.902 3.547 113 HB VAL 21 HB VAL 21 1.375 -7.555 2.987 114 HG11 VAL 21 HG11 VAL 21 0.616 -9.957 4.642 115 HG12 VAL 21 HG12 VAL 21 -0.478 -9.122 3.537 116 HG13 VAL 21 HG13 VAL 21 0.968 -9.918 2.914 117 HG21 VAL 21 HG21 VAL 21 1.060 -6.169 4.858 118 HG22 VAL 21 HG22 VAL 21 -0.395 -7.162 4.778 119 HG23 VAL 21 HG23 VAL 21 0.868 -7.542 5.949 120 H CYS 22 H CYS 22 2.843 -6.309 2.915 121 HA CYS 22 HA CYS 22 4.188 -4.645 4.898 122 HB2 CYS 22 HB2 CYS 22 6.049 -5.545 3.646 123 HB3 CYS 22 HB3 CYS 22 5.265 -5.151 2.119 124 H GLY 23 H GLY 23 3.730 -2.473 4.726 125 HA2 GLY 23 HA2 GLY 23 2.908 -0.950 2.656 126 HA3 GLY 23 HA3 GLY 23 1.439 -1.816 3.083 127 H HIS 24 H HIS 24 0.326 -1.270 4.925 128 HA HIS 24 HA HIS 24 1.460 0.692 6.749 129 HB2 HIS 24 HB2 HIS 24 -1.149 1.248 5.328 130 HB3 HIS 24 HB3 HIS 24 -0.325 2.294 6.480 131 HD1 HIS 24 HD1 HIS 24 1.497 3.810 5.589 132 HD2 HIS 24 HD2 HIS 24 0.083 1.123 2.753 133 HE1 HIS 24 HE1 HIS 24 2.490 4.556 3.403 134 H PHE 25 H PHE 25 -0.702 1.377 8.208 135 HA PHE 25 HA PHE 25 -1.598 -1.217 9.259 136 HB2 PHE 25 HB2 PHE 25 -0.270 0.235 10.782 137 HB3 PHE 25 HB3 PHE 25 -1.525 1.463 10.659 138 HD1 PHE 25 HD1 PHE 25 -0.664 -1.835 11.997 139 HD2 PHE 25 HD2 PHE 25 -3.622 1.219 11.804 140 HE1 PHE 25 HE1 PHE 25 -1.867 -2.887 13.868 141 HE2 PHE 25 HE2 PHE 25 -4.829 0.173 13.675 142 HZ PHE 25 HZ PHE 25 -3.952 -1.882 14.710 143 H ARG 26 H ARG 26 -2.681 1.824 7.986 144 HA ARG 26 HA ARG 26 -5.448 1.335 8.738 145 HB2 ARG 26 HB2 ARG 26 -3.886 3.619 7.760 146 HB3 ARG 26 HB3 ARG 26 -5.489 3.497 7.048 147 HG2 ARG 26 HG2 ARG 26 -6.069 3.103 9.660 148 HG3 ARG 26 HG3 ARG 26 -4.682 4.188 9.782 149 HD2 ARG 26 HD2 ARG 26 -5.756 5.889 8.607 150 HD3 ARG 26 HD3 ARG 26 -6.937 4.785 7.903 151 HE ARG 26 HE ARG 26 -7.470 4.649 10.550 152 HH11 ARG 26 HH11 ARG 26 -7.128 7.294 8.312 153 HH12 ARG 26 HH12 ARG 26 -8.239 8.322 9.155 154 HH21 ARG 26 HH21 ARG 26 -8.935 5.993 11.669 155 HH22 ARG 26 HH22 ARG 26 -9.265 7.581 11.065 156 H TRP 27 H TRP 27 -3.965 2.269 5.635 157 HA TRP 27 HA TRP 27 -6.058 1.036 4.134 158 HB2 TRP 27 HB2 TRP 27 -3.375 1.934 3.079 159 HB3 TRP 27 HB3 TRP 27 -4.886 1.780 2.187 160 HD1 TRP 27 HD1 TRP 27 -6.903 3.440 3.734 161 HE1 TRP 27 HE1 TRP 27 -6.617 5.970 4.106 162 HE3 TRP 27 HE3 TRP 27 -1.850 3.796 3.044 163 HZ2 TRP 27 HZ2 TRP 27 -4.526 7.867 4.106 164 HZ3 TRP 27 HZ3 TRP 27 -0.785 6.004 3.247 165 HH2 TRP 27 HH2 TRP 27 -2.097 7.997 3.767 166 H GLY 28 H GLY 28 -2.548 0.400 3.979 167 HA2 GLY 28 HA2 GLY 28 -1.551 -1.738 4.280 168 HA3 GLY 28 HA3 GLY 28 -3.122 -2.477 4.007 169 H VAL 29 H VAL 29 -1.579 -0.008 2.012 170 HA VAL 29 HA VAL 29 -0.978 -1.987 -0.049 171 HB VAL 29 HB VAL 29 -2.727 0.415 -0.596 172 HG11 VAL 29 HG11 VAL 29 -1.715 0.207 -2.607 173 HG12 VAL 29 HG12 VAL 29 -1.244 -1.470 -2.319 174 HG13 VAL 29 HG13 VAL 29 -2.894 -1.088 -2.813 175 HG21 VAL 29 HG21 VAL 29 -4.462 -1.247 -1.135 176 HG22 VAL 29 HG22 VAL 29 -3.384 -2.530 -0.585 177 HG23 VAL 29 HG23 VAL 29 -3.969 -1.321 0.557 Start of MODEL 16 1 H1 CYS 1 H CYS 1 2.151 0.204 0.627 2 HA CYS 1 HA CYS 1 2.506 1.005 -2.068 3 HB2 CYS 1 HB2 CYS 1 4.147 -0.640 -0.155 4 HB3 CYS 1 HB3 CYS 1 4.650 -0.413 -1.827 5 H GLY 2 H GLY 2 1.748 -2.067 -0.531 6 HA2 GLY 2 HA2 GLY 2 0.503 -3.766 -1.624 7 HA3 GLY 2 HA3 GLY 2 1.054 -3.139 -3.170 8 H GLU 3 H GLU 3 2.881 -4.073 -0.268 9 HA GLU 3 HA GLU 3 4.081 -6.279 -1.775 10 HB2 GLU 3 HB2 GLU 3 5.592 -4.051 -0.414 11 HB3 GLU 3 HB3 GLU 3 6.333 -5.586 -0.845 12 HG2 GLU 3 HG2 GLU 3 4.892 -4.119 -2.975 13 HG3 GLU 3 HG3 GLU 3 6.432 -3.463 -2.425 14 H THR 4 H THR 4 5.826 -7.303 -0.083 15 HA THR 4 HA THR 4 4.616 -7.459 2.573 16 HB THR 4 HB THR 4 3.465 -9.262 1.604 17 HG1 THR 4 HG1 THR 4 5.818 -10.524 2.580 18 HG21 THR 4 HG21 THR 4 5.979 -9.657 0.058 19 HG22 THR 4 HG22 THR 4 4.302 -9.677 -0.489 20 HG23 THR 4 HG23 THR 4 4.965 -11.063 0.376 21 H CYS 5 H CYS 5 6.122 -7.496 4.110 22 HA CYS 5 HA CYS 5 8.887 -8.124 3.326 23 HB2 CYS 5 HB2 CYS 5 9.509 -6.808 5.373 24 HB3 CYS 5 HB3 CYS 5 8.695 -5.870 4.125 25 H VAL 6 H VAL 6 7.925 -10.414 3.608 26 HA VAL 6 HA VAL 6 7.301 -11.501 6.086 27 HB VAL 6 HB VAL 6 8.830 -12.884 3.878 28 HG11 VAL 6 HG11 VAL 6 7.718 -14.914 4.795 29 HG12 VAL 6 HG12 VAL 6 8.880 -14.175 5.899 30 HG13 VAL 6 HG13 VAL 6 7.150 -13.937 6.148 31 HG21 VAL 6 HG21 VAL 6 6.002 -12.069 4.140 32 HG22 VAL 6 HG22 VAL 6 6.986 -12.305 2.696 33 HG23 VAL 6 HG23 VAL 6 6.299 -13.698 3.532 34 H GLY 7 H GLY 7 10.365 -10.505 4.804 35 HA2 GLY 7 HA2 GLY 7 11.930 -11.992 6.727 36 HA3 GLY 7 HA3 GLY 7 12.533 -10.801 5.584 37 H GLY 8 H GLY 8 10.300 -8.972 6.679 38 HA2 GLY 8 HA2 GLY 8 9.952 -7.659 8.608 39 HA3 GLY 8 HA3 GLY 8 11.389 -8.373 9.325 40 H THR 9 H THR 9 11.308 -7.039 6.087 41 HA THR 9 HA THR 9 12.695 -4.627 7.000 42 HB THR 9 HB THR 9 14.557 -6.014 6.505 43 HG1 THR 9 HG1 THR 9 14.313 -4.735 4.017 44 HG21 THR 9 HG21 THR 9 12.775 -7.129 4.503 45 HG22 THR 9 HG22 THR 9 14.205 -7.835 5.256 46 HG23 THR 9 HG23 THR 9 14.375 -6.791 3.846 47 H CYS 10 H CYS 10 11.309 -3.120 6.290 48 HA CYS 10 HA CYS 10 10.879 -2.899 3.425 49 HB2 CYS 10 HB2 CYS 10 8.899 -4.068 4.968 50 HB3 CYS 10 HB3 CYS 10 8.386 -2.387 4.859 51 H ASN 11 H ASN 11 12.308 -1.459 5.587 52 HA ASN 11 HA ASN 11 10.928 0.965 6.137 53 HB2 ASN 11 HB2 ASN 11 13.188 1.797 6.820 54 HB3 ASN 11 HB3 ASN 11 12.723 0.284 7.593 55 HD21 ASN 11 HD21 ASN 11 15.040 1.882 5.735 56 HD22 ASN 11 HD22 ASN 11 16.046 0.525 5.374 57 H THR 12 H THR 12 10.230 2.119 4.428 58 HA THR 12 HA THR 12 12.271 3.084 2.545 59 HB THR 12 HB THR 12 9.999 3.107 1.007 60 HG1 THR 12 HG1 THR 12 9.094 1.685 2.740 61 HG21 THR 12 HG21 THR 12 11.545 2.214 -0.326 62 HG22 THR 12 HG22 THR 12 11.297 0.660 0.471 63 HG23 THR 12 HG23 THR 12 12.531 1.770 1.067 64 HA PRO 13 HA PRO 13 10.698 7.113 3.292 65 HB2 PRO 13 HB2 PRO 13 10.983 8.286 0.861 66 HB3 PRO 13 HB3 PRO 13 12.354 7.901 1.908 67 HG2 PRO 13 HG2 PRO 13 11.287 6.391 -0.446 68 HG3 PRO 13 HG3 PRO 13 12.970 6.738 -0.009 69 HD2 PRO 13 HD2 PRO 13 11.802 4.344 0.479 70 HD3 PRO 13 HD3 PRO 13 13.053 5.030 1.536 71 H GLY 14 H GLY 14 8.492 6.491 3.690 72 HA2 GLY 14 HA2 GLY 14 6.367 7.578 3.084 73 HA3 GLY 14 HA3 GLY 14 6.710 7.129 1.420 74 H CYS 15 H CYS 15 7.712 4.622 3.315 75 HA CYS 15 HA CYS 15 5.104 3.343 3.548 76 HB2 CYS 15 HB2 CYS 15 6.795 2.878 1.327 77 HB3 CYS 15 HB3 CYS 15 6.898 1.448 2.349 78 H THR 16 H THR 16 5.043 1.650 5.020 79 HA THR 16 HA THR 16 7.528 1.202 6.542 80 HB THR 16 HB THR 16 5.987 0.820 8.535 81 HG1 THR 16 HG1 THR 16 4.009 0.712 7.428 82 HG21 THR 16 HG21 THR 16 5.805 3.226 9.028 83 HG22 THR 16 HG22 THR 16 6.150 3.588 7.337 84 HG23 THR 16 HG23 THR 16 7.375 2.812 8.340 85 H CYS 17 H CYS 17 7.481 -0.844 7.839 86 HA CYS 17 HA CYS 17 6.563 -3.008 6.132 87 HB2 CYS 17 HB2 CYS 17 8.860 -3.058 6.993 88 HB3 CYS 17 HB3 CYS 17 8.249 -3.056 8.644 89 H SER 18 H SER 18 5.135 -4.609 6.721 90 HA SER 18 HA SER 18 3.852 -4.437 9.344 91 HB2 SER 18 HB2 SER 18 2.589 -3.071 7.557 92 HB3 SER 18 HB3 SER 18 2.154 -4.633 6.863 93 HG SER 18 HG SER 18 1.464 -3.551 9.372 94 H TRP 19 H TRP 19 5.575 -6.373 8.850 95 HA TRP 19 HA TRP 19 5.104 -8.629 7.499 96 HB2 TRP 19 HB2 TRP 19 6.900 -8.308 9.208 97 HB3 TRP 19 HB3 TRP 19 5.710 -8.646 10.462 98 HD1 TRP 19 HD1 TRP 19 8.028 -10.341 8.045 99 HE1 TRP 19 HE1 TRP 19 7.821 -12.895 8.290 100 HE3 TRP 19 HE3 TRP 19 3.866 -10.536 11.007 101 HZ2 TRP 19 HZ2 TRP 19 6.118 -14.747 9.569 102 HZ3 TRP 19 HZ3 TRP 19 3.011 -12.739 11.696 103 HH2 TRP 19 HH2 TRP 19 4.115 -14.799 10.991 104 HA PRO 20 HA PRO 20 4.951 -10.782 7.372 105 HB2 PRO 20 HB2 PRO 20 3.258 -12.034 5.659 106 HB3 PRO 20 HB3 PRO 20 3.684 -12.694 7.242 107 HG2 PRO 20 HG2 PRO 20 1.239 -11.175 6.419 108 HG3 PRO 20 HG3 PRO 20 1.369 -12.615 7.445 109 HD2 PRO 20 HD2 PRO 20 1.055 -10.125 8.461 110 HD3 PRO 20 HD3 PRO 20 1.972 -11.391 9.303 111 H VAL 21 H VAL 21 2.040 -9.129 6.204 112 HA VAL 21 HA VAL 21 3.028 -8.560 3.612 113 HB VAL 21 HB VAL 21 1.178 -7.056 3.369 114 HG11 VAL 21 HG11 VAL 21 -0.574 -8.546 3.645 115 HG12 VAL 21 HG12 VAL 21 0.834 -9.611 3.657 116 HG13 VAL 21 HG13 VAL 21 0.054 -9.160 5.174 117 HG21 VAL 21 HG21 VAL 21 0.934 -7.195 6.371 118 HG22 VAL 21 HG22 VAL 21 1.372 -5.785 5.406 119 HG23 VAL 21 HG23 VAL 21 -0.257 -6.453 5.302 120 H CYS 22 H CYS 22 2.724 -5.915 3.146 121 HA CYS 22 HA CYS 22 4.383 -4.413 5.000 122 HB2 CYS 22 HB2 CYS 22 6.106 -5.409 3.674 123 HB3 CYS 22 HB3 CYS 22 5.240 -5.065 2.180 124 H GLY 23 H GLY 23 4.050 -2.227 4.901 125 HA2 GLY 23 HA2 GLY 23 3.314 -0.550 2.960 126 HA3 GLY 23 HA3 GLY 23 1.793 -1.371 3.277 127 H HIS 24 H HIS 24 0.557 -0.713 4.944 128 HA HIS 24 HA HIS 24 1.745 1.054 6.960 129 HB2 HIS 24 HB2 HIS 24 -0.874 1.682 5.593 130 HB3 HIS 24 HB3 HIS 24 0.000 2.687 6.745 131 HD1 HIS 24 HD1 HIS 24 1.646 4.317 5.803 132 HD2 HIS 24 HD2 HIS 24 0.456 1.475 3.016 133 HE1 HIS 24 HE1 HIS 24 2.631 5.068 3.614 134 H PHE 25 H PHE 25 -0.396 1.675 8.458 135 HA PHE 25 HA PHE 25 -1.325 -0.959 9.373 136 HB2 PHE 25 HB2 PHE 25 -0.030 0.189 11.049 137 HB3 PHE 25 HB3 PHE 25 -0.986 1.655 10.852 138 HD1 PHE 25 HD2 PHE 25 -1.246 -1.902 11.890 139 HD2 PHE 25 HD1 PHE 25 -2.837 2.034 12.196 140 HE1 PHE 25 HE2 PHE 25 -2.761 -2.657 13.675 141 HE2 PHE 25 HE1 PHE 25 -4.354 1.285 13.983 142 HZ PHE 25 HZ PHE 25 -4.319 -1.063 14.723 143 H ARG 26 H ARG 26 -2.361 2.141 8.234 144 HA ARG 26 HA ARG 26 -5.094 1.845 9.090 145 HB2 ARG 26 HB2 ARG 26 -3.462 3.919 7.950 146 HB3 ARG 26 HB3 ARG 26 -4.942 3.751 7.014 147 HG2 ARG 26 HG2 ARG 26 -5.676 3.674 9.736 148 HG3 ARG 26 HG3 ARG 26 -4.546 5.014 9.534 149 HD2 ARG 26 HD2 ARG 26 -6.080 5.417 7.381 150 HD3 ARG 26 HD3 ARG 26 -7.262 4.626 8.423 151 HE ARG 26 HE ARG 26 -5.823 6.774 9.690 152 HH11 ARG 26 HH11 ARG 26 -8.589 5.903 7.765 153 HH12 ARG 26 HH12 ARG 26 -9.510 7.297 8.223 154 HH21 ARG 26 HH21 ARG 26 -7.025 8.614 10.301 155 HH22 ARG 26 HH22 ARG 26 -8.619 8.839 9.665 156 H TRP 27 H TRP 27 -3.517 1.939 5.890 157 HA TRP 27 HA TRP 27 -5.826 0.510 4.780 158 HB2 TRP 27 HB2 TRP 27 -3.773 2.349 3.650 159 HB3 TRP 27 HB3 TRP 27 -4.442 1.116 2.585 160 HD1 TRP 27 HD1 TRP 27 -4.973 4.557 3.218 161 HE1 TRP 27 HE1 TRP 27 -7.404 5.292 2.799 162 HE3 TRP 27 HE3 TRP 27 -7.220 -0.035 3.209 163 HZ2 TRP 27 HZ2 TRP 27 -9.939 4.085 2.505 164 HZ3 TRP 27 HZ3 TRP 27 -9.651 -0.158 2.853 165 HH2 TRP 27 HH2 TRP 27 -10.981 1.861 2.509 166 H GLY 28 H GLY 28 -2.512 0.505 3.561 167 HA2 GLY 28 HA2 GLY 28 -1.106 -1.500 4.169 168 HA3 GLY 28 HA3 GLY 28 -2.542 -2.440 3.792 169 H VAL 29 H VAL 29 -0.791 0.224 2.190 170 HA VAL 29 HA VAL 29 -0.287 -1.506 -0.103 171 HB VAL 29 HB VAL 29 -1.096 0.333 -1.654 172 HG11 VAL 29 HG11 VAL 29 -2.275 -1.807 -1.310 173 HG12 VAL 29 HG12 VAL 29 -3.199 -1.063 -0.004 174 HG13 VAL 29 HG13 VAL 29 -3.375 -0.473 -1.657 175 HG21 VAL 29 HG21 VAL 29 -1.470 1.711 0.717 176 HG22 VAL 29 HG22 VAL 29 -2.069 2.183 -0.873 177 HG23 VAL 29 HG23 VAL 29 -3.103 1.265 0.222 Start of MODEL 17 1 H1 CYS 1 H CYS 1 1.035 -0.424 0.962 2 HA CYS 1 HA CYS 1 1.748 0.329 -1.638 3 HB2 CYS 1 HB2 CYS 1 3.425 -1.090 0.443 4 HB3 CYS 1 HB3 CYS 1 4.050 -0.260 -0.978 5 H GLY 2 H GLY 2 1.278 -2.820 -0.185 6 HA2 GLY 2 HA2 GLY 2 0.916 -4.846 -1.250 7 HA3 GLY 2 HA3 GLY 2 1.198 -4.049 -2.790 8 H GLU 3 H GLU 3 3.391 -4.103 -0.026 9 HA GLU 3 HA GLU 3 5.314 -5.578 -1.700 10 HB2 GLU 3 HB2 GLU 3 5.582 -3.244 0.088 11 HB3 GLU 3 HB3 GLU 3 6.864 -4.441 0.216 12 HG2 GLU 3 HG2 GLU 3 7.435 -2.683 -1.364 13 HG3 GLU 3 HG3 GLU 3 7.313 -4.251 -2.160 14 H THR 4 H THR 4 7.138 -6.478 -0.063 15 HA THR 4 HA THR 4 5.664 -8.197 1.818 16 HB THR 4 HB THR 4 8.085 -9.427 1.520 17 HG1 THR 4 HG1 THR 4 8.841 -9.128 -0.471 18 HG21 THR 4 HG21 THR 4 5.577 -9.793 -0.120 19 HG22 THR 4 HG22 THR 4 5.958 -10.564 1.420 20 HG23 THR 4 HG23 THR 4 6.889 -10.967 -0.023 21 H CYS 5 H CYS 5 6.583 -8.688 3.850 22 HA CYS 5 HA CYS 5 8.933 -7.214 4.712 23 HB2 CYS 5 HB2 CYS 5 6.827 -5.749 4.993 24 HB3 CYS 5 HB3 CYS 5 6.393 -6.861 6.288 25 H VAL 6 H VAL 6 7.925 -10.031 4.418 26 HA VAL 6 HA VAL 6 7.364 -11.269 6.818 27 HB VAL 6 HB VAL 6 9.141 -12.341 4.621 28 HG11 VAL 6 HG11 VAL 6 9.470 -13.795 6.401 29 HG12 VAL 6 HG12 VAL 6 7.814 -13.615 6.984 30 HG13 VAL 6 HG13 VAL 6 8.139 -14.546 5.521 31 HG21 VAL 6 HG21 VAL 6 6.176 -12.190 4.965 32 HG22 VAL 6 HG22 VAL 6 7.155 -11.865 3.535 33 HG23 VAL 6 HG23 VAL 6 6.892 -13.527 4.065 34 H GLY 7 H GLY 7 10.499 -10.256 5.536 35 HA2 GLY 7 HA2 GLY 7 11.838 -11.258 7.940 36 HA3 GLY 7 HA3 GLY 7 12.627 -10.654 6.491 37 H GLY 8 H GLY 8 10.023 -8.798 7.776 38 HA2 GLY 8 HA2 GLY 8 9.956 -6.713 8.733 39 HA3 GLY 8 HA3 GLY 8 11.347 -7.232 9.675 40 H THR 9 H THR 9 11.697 -7.281 6.261 41 HA THR 9 HA THR 9 13.340 -4.840 6.417 42 HB THR 9 HB THR 9 14.796 -6.648 5.948 43 HG1 THR 9 HG1 THR 9 14.156 -5.582 3.387 44 HG21 THR 9 HG21 THR 9 12.538 -7.613 4.296 45 HG22 THR 9 HG22 THR 9 13.678 -8.514 5.296 46 HG23 THR 9 HG23 THR 9 14.159 -7.959 3.693 47 H CYS 10 H CYS 10 11.430 -3.575 5.941 48 HA CYS 10 HA CYS 10 11.044 -3.292 3.076 49 HB2 CYS 10 HB2 CYS 10 9.265 -4.876 3.870 50 HB3 CYS 10 HB3 CYS 10 8.656 -3.589 4.905 51 H ASN 11 H ASN 11 12.463 -1.515 4.252 52 HA ASN 11 HA ASN 11 10.826 0.604 5.393 53 HB2 ASN 11 HB2 ASN 11 13.775 0.150 5.080 54 HB3 ASN 11 HB3 ASN 11 13.167 1.771 5.405 55 HD21 ASN 11 HD21 ASN 11 13.474 -1.476 6.630 56 HD22 ASN 11 HD22 ASN 11 13.150 -1.094 8.284 57 H THR 12 H THR 12 9.956 2.163 4.211 58 HA THR 12 HA THR 12 11.319 3.124 1.819 59 HB THR 12 HB THR 12 8.610 3.025 1.060 60 HG1 THR 12 HG1 THR 12 8.179 0.786 1.213 61 HG21 THR 12 HG21 THR 12 11.195 1.910 0.173 62 HG22 THR 12 HG22 THR 12 9.978 2.814 -0.730 63 HG23 THR 12 HG23 THR 12 9.758 1.089 -0.435 64 HA PRO 13 HA PRO 13 9.900 7.031 3.248 65 HB2 PRO 13 HB2 PRO 13 9.884 8.419 0.915 66 HB3 PRO 13 HB3 PRO 13 11.373 7.961 1.750 67 HG2 PRO 13 HG2 PRO 13 10.031 6.651 -0.583 68 HG3 PRO 13 HG3 PRO 13 11.754 6.981 -0.324 69 HD2 PRO 13 HD2 PRO 13 10.660 4.538 0.085 70 HD3 PRO 13 HD3 PRO 13 12.029 5.143 1.040 71 H GLY 14 H GLY 14 7.779 6.611 3.915 72 HA2 GLY 14 HA2 GLY 14 5.591 7.601 3.673 73 HA3 GLY 14 HA3 GLY 14 5.730 7.369 1.936 74 H CYS 15 H CYS 15 6.931 4.668 3.444 75 HA CYS 15 HA CYS 15 4.310 3.327 3.444 76 HB2 CYS 15 HB2 CYS 15 5.749 2.903 1.368 77 HB3 CYS 15 HB3 CYS 15 6.829 2.013 2.437 78 H THR 16 H THR 16 4.016 1.701 4.946 79 HA THR 16 HA THR 16 6.125 1.492 6.994 80 HB THR 16 HB THR 16 3.740 0.567 8.127 81 HG1 THR 16 HG1 THR 16 2.346 2.387 7.746 82 HG21 THR 16 HG21 THR 16 5.581 2.842 8.433 83 HG22 THR 16 HG22 THR 16 4.947 1.725 9.642 84 HG23 THR 16 HG23 THR 16 3.969 3.090 9.103 85 H CYS 17 H CYS 17 5.675 -0.610 8.387 86 HA CYS 17 HA CYS 17 5.691 -2.832 6.470 87 HB2 CYS 17 HB2 CYS 17 7.712 -2.598 7.822 88 HB3 CYS 17 HB3 CYS 17 6.755 -2.667 9.298 89 H SER 18 H SER 18 4.426 -4.646 6.746 90 HA SER 18 HA SER 18 2.541 -4.693 8.984 91 HB2 SER 18 HB2 SER 18 1.710 -4.854 6.077 92 HB3 SER 18 HB3 SER 18 0.645 -5.125 7.456 93 HG SER 18 HG SER 18 1.318 -2.815 6.309 94 H TRP 19 H TRP 19 4.648 -6.326 8.918 95 HA TRP 19 HA TRP 19 4.841 -8.625 7.586 96 HB2 TRP 19 HB2 TRP 19 6.142 -8.050 9.629 97 HB3 TRP 19 HB3 TRP 19 4.760 -8.531 10.609 98 HD1 TRP 19 HD1 TRP 19 7.785 -9.915 8.897 99 HE1 TRP 19 HE1 TRP 19 7.864 -12.471 9.191 100 HE3 TRP 19 HE3 TRP 19 3.079 -10.664 10.749 101 HZ2 TRP 19 HZ2 TRP 19 6.157 -14.532 10.089 102 HZ3 TRP 19 HZ3 TRP 19 2.380 -12.958 11.300 103 HH2 TRP 19 HH2 TRP 19 3.888 -14.850 10.975 104 HA PRO 20 HA PRO 20 5.057 -10.775 7.500 105 HB2 PRO 20 HB2 PRO 20 4.015 -12.273 5.490 106 HB3 PRO 20 HB3 PRO 20 4.165 -12.863 7.149 107 HG2 PRO 20 HG2 PRO 20 1.768 -11.748 5.745 108 HG3 PRO 20 HG3 PRO 20 1.881 -13.153 6.821 109 HD2 PRO 20 HD2 PRO 20 0.962 -10.747 7.658 110 HD3 PRO 20 HD3 PRO 20 1.848 -11.855 8.726 111 H VAL 21 H VAL 21 2.270 -9.600 5.650 112 HA VAL 21 HA VAL 21 3.740 -8.863 3.338 113 HB VAL 21 HB VAL 21 1.773 -7.685 2.619 114 HG11 VAL 21 HG11 VAL 21 0.952 -10.149 4.154 115 HG12 VAL 21 HG12 VAL 21 0.102 -9.441 2.780 116 HG13 VAL 21 HG13 VAL 21 1.706 -10.141 2.560 117 HG21 VAL 21 HG21 VAL 21 -0.184 -7.452 4.170 118 HG22 VAL 21 HG22 VAL 21 0.893 -7.898 5.494 119 HG23 VAL 21 HG23 VAL 21 1.198 -6.430 4.564 120 H CYS 22 H CYS 22 3.115 -6.308 2.721 121 HA CYS 22 HA CYS 22 4.235 -4.642 4.863 122 HB2 CYS 22 HB2 CYS 22 6.011 -5.391 3.207 123 HB3 CYS 22 HB3 CYS 22 5.161 -4.435 1.997 124 H GLY 23 H GLY 23 3.844 -2.350 4.591 125 HA2 GLY 23 HA2 GLY 23 2.659 -0.824 2.834 126 HA3 GLY 23 HA3 GLY 23 1.305 -1.885 3.195 127 H HIS 24 H HIS 24 0.022 -1.389 4.863 128 HA HIS 24 HA HIS 24 1.019 0.273 7.035 129 HB2 HIS 24 HB2 HIS 24 -1.463 1.103 5.531 130 HB3 HIS 24 HB3 HIS 24 -0.633 1.984 6.810 131 HD1 HIS 24 HD1 HIS 24 1.252 3.518 6.128 132 HD2 HIS 24 HD2 HIS 24 -0.101 1.133 3.007 133 HE1 HIS 24 HE1 HIS 24 2.373 4.414 4.063 134 H PHE 25 H PHE 25 -1.255 0.830 8.370 135 HA PHE 25 HA PHE 25 -2.357 -1.843 8.919 136 HB2 PHE 25 HB2 PHE 25 -2.800 0.142 11.002 137 HB3 PHE 25 HB3 PHE 25 -2.076 -1.459 11.114 138 HD1 PHE 25 HD1 PHE 25 0.320 -1.762 10.891 139 HD2 PHE 25 HD2 PHE 25 -1.444 2.107 10.694 140 HE1 PHE 25 HE1 PHE 25 2.535 -0.739 11.210 141 HE2 PHE 25 HE2 PHE 25 0.768 3.136 11.011 142 HZ PHE 25 HZ PHE 25 2.761 1.713 11.269 143 H ARG 26 H ARG 26 -3.151 1.533 8.401 144 HA ARG 26 HA ARG 26 -5.949 1.233 8.916 145 HB2 ARG 26 HB2 ARG 26 -4.166 3.374 8.469 146 HB3 ARG 26 HB3 ARG 26 -5.372 3.462 7.192 147 HG2 ARG 26 HG2 ARG 26 -7.034 3.127 9.210 148 HG3 ARG 26 HG3 ARG 26 -5.682 3.797 10.125 149 HD2 ARG 26 HD2 ARG 26 -6.228 5.260 7.668 150 HD3 ARG 26 HD3 ARG 26 -7.605 5.235 8.769 151 HE ARG 26 HE ARG 26 -5.550 5.906 10.386 152 HH11 ARG 26 HH11 ARG 26 -6.683 7.152 7.339 153 HH12 ARG 26 HH12 ARG 26 -6.146 8.769 7.652 154 HH21 ARG 26 HH21 ARG 26 -4.838 8.031 10.809 155 HH22 ARG 26 HH22 ARG 26 -5.095 9.268 9.626 156 H TRP 27 H TRP 27 -4.017 1.595 5.947 157 HA TRP 27 HA TRP 27 -6.340 0.848 4.344 158 HB2 TRP 27 HB2 TRP 27 -3.586 1.575 3.343 159 HB3 TRP 27 HB3 TRP 27 -5.097 1.578 2.439 160 HD1 TRP 27 HD1 TRP 27 -6.994 3.341 3.987 161 HE1 TRP 27 HE1 TRP 27 -6.508 5.819 4.486 162 HE3 TRP 27 HE3 TRP 27 -1.908 3.291 3.470 163 HZ2 TRP 27 HZ2 TRP 27 -4.266 7.526 4.640 164 HZ3 TRP 27 HZ3 TRP 27 -0.668 5.389 3.810 165 HH2 TRP 27 HH2 TRP 27 -1.824 7.462 4.382 166 H GLY 28 H GLY 28 -2.887 -0.046 4.178 167 HA2 GLY 28 HA2 GLY 28 -2.128 -2.310 4.487 168 HA3 GLY 28 HA3 GLY 28 -3.717 -2.866 3.984 169 H VAL 29 H VAL 29 -1.774 -0.398 2.382 170 HA VAL 29 HA VAL 29 -1.066 -2.253 0.247 171 HB VAL 29 HB VAL 29 -2.636 0.269 -0.308 172 HG11 VAL 29 HG11 VAL 29 -2.626 -0.587 -2.646 173 HG12 VAL 29 HG12 VAL 29 -1.031 -0.123 -2.049 174 HG13 VAL 29 HG13 VAL 29 -1.479 -1.827 -2.140 175 HG21 VAL 29 HG21 VAL 29 -4.358 -1.301 -1.171 176 HG22 VAL 29 HG22 VAL 29 -3.420 -2.637 -0.505 177 HG23 VAL 29 HG23 VAL 29 -4.107 -1.419 0.570 Start of MODEL 18 1 H1 CYS 1 H CYS 1 2.179 -1.077 1.035 2 HA CYS 1 HA CYS 1 1.930 0.581 -1.304 3 HB2 CYS 1 HB2 CYS 1 4.093 -0.610 0.255 4 HB3 CYS 1 HB3 CYS 1 4.387 -0.685 -1.479 5 H GLY 2 H GLY 2 2.039 -2.846 -0.594 6 HA2 GLY 2 HA2 GLY 2 0.753 -4.139 -2.348 7 HA3 GLY 2 HA3 GLY 2 1.872 -3.408 -3.489 8 H GLU 3 H GLU 3 4.036 -3.687 -1.371 9 HA GLU 3 HA GLU 3 4.797 -6.392 -2.138 10 HB2 GLU 3 HB2 GLU 3 7.020 -5.799 -1.393 11 HB3 GLU 3 HB3 GLU 3 6.395 -4.522 -2.428 12 HG2 GLU 3 HG2 GLU 3 5.646 -3.498 -0.116 13 HG3 GLU 3 HG3 GLU 3 6.965 -4.502 0.483 14 H THR 4 H THR 4 6.183 -7.534 -0.342 15 HA THR 4 HA THR 4 4.501 -7.619 2.074 16 HB THR 4 HB THR 4 4.362 -9.722 0.989 17 HG1 THR 4 HG1 THR 4 4.956 -10.925 2.674 18 HG21 THR 4 HG21 THR 4 6.003 -9.955 -0.578 19 HG22 THR 4 HG22 THR 4 6.710 -10.950 0.694 20 HG23 THR 4 HG23 THR 4 7.252 -9.287 0.471 21 H CYS 5 H CYS 5 5.584 -8.194 4.098 22 HA CYS 5 HA CYS 5 8.393 -7.310 4.181 23 HB2 CYS 5 HB2 CYS 5 6.660 -5.612 5.017 24 HB3 CYS 5 HB3 CYS 5 6.410 -6.710 6.370 25 H VAL 6 H VAL 6 7.432 -9.997 4.044 26 HA VAL 6 HA VAL 6 7.103 -11.388 6.374 27 HB VAL 6 HB VAL 6 8.866 -12.251 4.076 28 HG11 VAL 6 HG11 VAL 6 9.292 -13.939 5.505 29 HG12 VAL 6 HG12 VAL 6 7.878 -13.592 6.503 30 HG13 VAL 6 HG13 VAL 6 7.698 -14.503 5.003 31 HG21 VAL 6 HG21 VAL 6 6.512 -13.523 3.701 32 HG22 VAL 6 HG22 VAL 6 5.948 -11.996 4.379 33 HG23 VAL 6 HG23 VAL 6 6.943 -12.000 2.924 34 H GLY 7 H GLY 7 10.255 -10.623 4.878 35 HA2 GLY 7 HA2 GLY 7 11.830 -11.653 6.968 36 HA3 GLY 7 HA3 GLY 7 12.358 -10.466 5.784 37 H GLY 8 H GLY 8 10.129 -8.641 6.664 38 HA2 GLY 8 HA2 GLY 8 9.629 -7.238 8.492 39 HA3 GLY 8 HA3 GLY 8 10.980 -7.938 9.370 40 H THR 9 H THR 9 11.385 -6.860 6.093 41 HA THR 9 HA THR 9 12.489 -4.297 6.931 42 HB THR 9 HB THR 9 14.462 -5.584 7.164 43 HG1 THR 9 HG1 THR 9 14.699 -4.676 4.491 44 HG21 THR 9 HG21 THR 9 13.319 -7.129 4.968 45 HG22 THR 9 HG22 THR 9 14.447 -7.622 6.231 46 HG23 THR 9 HG23 THR 9 15.045 -6.825 4.776 47 H CYS 10 H CYS 10 11.073 -3.166 5.677 48 HA CYS 10 HA CYS 10 11.541 -3.249 2.811 49 HB2 CYS 10 HB2 CYS 10 9.234 -3.485 2.188 50 HB3 CYS 10 HB3 CYS 10 9.643 -4.829 3.250 51 H ASN 11 H ASN 11 11.908 -1.432 5.176 52 HA ASN 11 HA ASN 11 10.173 0.713 5.203 53 HB2 ASN 11 HB2 ASN 11 12.095 2.067 5.969 54 HB3 ASN 11 HB3 ASN 11 12.018 0.508 6.784 55 HD21 ASN 11 HD21 ASN 11 13.982 2.648 5.188 56 HD22 ASN 11 HD22 ASN 11 15.301 1.592 4.825 57 H THR 12 H THR 12 9.529 2.094 3.700 58 HA THR 12 HA THR 12 11.389 2.831 1.546 59 HB THR 12 HB THR 12 9.001 2.963 0.247 60 HG1 THR 12 HG1 THR 12 8.906 0.526 1.711 61 HG21 THR 12 HG21 THR 12 10.043 0.320 -0.109 62 HG22 THR 12 HG22 THR 12 11.380 1.449 0.111 63 HG23 THR 12 HG23 THR 12 10.195 1.723 -1.165 64 HA PRO 13 HA PRO 13 10.190 6.993 2.255 65 HB2 PRO 13 HB2 PRO 13 10.208 8.029 -0.254 66 HB3 PRO 13 HB3 PRO 13 11.684 7.597 0.618 67 HG2 PRO 13 HG2 PRO 13 10.206 6.059 -1.482 68 HG3 PRO 13 HG3 PRO 13 11.952 6.306 -1.297 69 HD2 PRO 13 HD2 PRO 13 10.713 4.026 -0.523 70 HD3 PRO 13 HD3 PRO 13 12.140 4.669 0.315 71 H GLY 14 H GLY 14 7.993 6.269 2.918 72 HA2 GLY 14 HA2 GLY 14 5.884 7.588 2.543 73 HA3 GLY 14 HA3 GLY 14 5.964 6.990 0.893 74 H CYS 15 H CYS 15 7.081 4.580 2.855 75 HA CYS 15 HA CYS 15 4.454 3.495 3.516 76 HB2 CYS 15 HB2 CYS 15 6.136 2.569 1.304 77 HB3 CYS 15 HB3 CYS 15 5.687 1.286 2.422 78 H THR 16 H THR 16 4.554 1.647 4.941 79 HA THR 16 HA THR 16 7.130 1.403 6.353 80 HB THR 16 HB THR 16 4.780 0.907 8.020 81 HG1 THR 16 HG1 THR 16 5.274 3.607 7.289 82 HG21 THR 16 HG21 THR 16 6.287 1.409 9.584 83 HG22 THR 16 HG22 THR 16 6.517 3.019 8.904 84 HG23 THR 16 HG23 THR 16 7.471 1.664 8.304 85 H CYS 17 H CYS 17 6.740 -0.562 8.060 86 HA CYS 17 HA CYS 17 6.288 -2.865 6.338 87 HB2 CYS 17 HB2 CYS 17 8.340 -2.745 7.706 88 HB3 CYS 17 HB3 CYS 17 7.356 -2.725 9.166 89 H SER 18 H SER 18 4.779 -4.451 6.690 90 HA SER 18 HA SER 18 2.954 -4.166 8.959 91 HB2 SER 18 HB2 SER 18 1.960 -4.428 6.113 92 HB3 SER 18 HB3 SER 18 0.979 -4.251 7.567 93 HG SER 18 HG SER 18 1.734 -2.167 7.800 94 H TRP 19 H TRP 19 4.796 -6.075 8.947 95 HA TRP 19 HA TRP 19 4.667 -8.420 7.689 96 HB2 TRP 19 HB2 TRP 19 5.956 -7.832 9.825 97 HB3 TRP 19 HB3 TRP 19 4.536 -8.397 10.701 98 HD1 TRP 19 HD1 TRP 19 7.502 -9.654 8.678 99 HE1 TRP 19 HE1 TRP 19 7.641 -12.214 8.902 100 HE3 TRP 19 HE3 TRP 19 3.063 -10.503 11.068 101 HZ2 TRP 19 HZ2 TRP 19 6.076 -14.316 9.953 102 HZ3 TRP 19 HZ3 TRP 19 2.459 -12.816 11.647 103 HH2 TRP 19 HH2 TRP 19 3.935 -14.682 11.099 104 HA PRO 20 HA PRO 20 4.586 -10.584 7.681 105 HB2 PRO 20 HB2 PRO 20 3.344 -11.994 5.721 106 HB3 PRO 20 HB3 PRO 20 3.414 -12.541 7.401 107 HG2 PRO 20 HG2 PRO 20 1.191 -11.155 5.951 108 HG3 PRO 20 HG3 PRO 20 1.112 -12.524 7.076 109 HD2 PRO 20 HD2 PRO 20 0.534 -9.987 7.825 110 HD3 PRO 20 HD3 PRO 20 1.260 -11.168 8.934 111 H VAL 21 H VAL 21 1.974 -9.165 5.735 112 HA VAL 21 HA VAL 21 3.579 -8.678 3.443 113 HB VAL 21 HB VAL 21 1.756 -7.400 2.584 114 HG11 VAL 21 HG11 VAL 21 -0.151 -8.929 2.943 115 HG12 VAL 21 HG12 VAL 21 1.362 -9.784 2.636 116 HG13 VAL 21 HG13 VAL 21 0.728 -9.674 4.278 117 HG21 VAL 21 HG21 VAL 21 1.148 -5.889 4.233 118 HG22 VAL 21 HG22 VAL 21 -0.238 -6.979 4.187 119 HG23 VAL 21 HG23 VAL 21 0.971 -7.143 5.461 120 H CYS 22 H CYS 22 3.170 -6.086 2.722 121 HA CYS 22 HA CYS 22 4.489 -4.493 4.814 122 HB2 CYS 22 HB2 CYS 22 6.150 -5.304 3.142 123 HB3 CYS 22 HB3 CYS 22 5.241 -4.472 1.884 124 H GLY 23 H GLY 23 4.084 -2.257 4.768 125 HA2 GLY 23 HA2 GLY 23 2.973 -0.580 3.059 126 HA3 GLY 23 HA3 GLY 23 1.574 -1.575 3.435 127 H HIS 24 H HIS 24 0.361 -1.015 5.126 128 HA HIS 24 HA HIS 24 1.546 0.538 7.300 129 HB2 HIS 24 HB2 HIS 24 -0.993 1.417 5.917 130 HB3 HIS 24 HB3 HIS 24 -0.155 2.245 7.226 131 HD1 HIS 24 HD1 HIS 24 1.584 3.919 6.573 132 HD2 HIS 24 HD2 HIS 24 0.472 1.473 3.405 133 HE1 HIS 24 HE1 HIS 24 2.710 4.891 4.546 134 H PHE 25 H PHE 25 -0.657 1.108 8.770 135 HA PHE 25 HA PHE 25 -1.632 -1.572 9.459 136 HB2 PHE 25 HB2 PHE 25 -0.388 -0.161 11.163 137 HB3 PHE 25 HB3 PHE 25 -1.786 0.909 11.171 138 HD1 PHE 25 HD1 PHE 25 -3.897 0.195 12.127 139 HD2 PHE 25 HD2 PHE 25 -0.483 -2.348 12.164 140 HE1 PHE 25 HE1 PHE 25 -4.985 -1.236 13.808 141 HE2 PHE 25 HE2 PHE 25 -1.566 -3.783 13.844 142 HZ PHE 25 HZ PHE 25 -3.820 -3.229 14.667 143 H ARG 26 H ARG 26 -2.687 1.679 8.674 144 HA ARG 26 HA ARG 26 -5.466 1.144 9.177 145 HB2 ARG 26 HB2 ARG 26 -3.927 3.432 8.847 146 HB3 ARG 26 HB3 ARG 26 -4.924 3.386 7.399 147 HG2 ARG 26 HG2 ARG 26 -6.894 3.034 8.994 148 HG3 ARG 26 HG3 ARG 26 -5.784 3.556 10.262 149 HD2 ARG 26 HD2 ARG 26 -5.871 5.701 9.614 150 HD3 ARG 26 HD3 ARG 26 -5.782 5.283 7.904 151 HE ARG 26 HE ARG 26 -8.330 4.711 9.106 152 HH11 ARG 26 HH11 ARG 26 -6.374 7.135 7.552 153 HH12 ARG 26 HH12 ARG 26 -7.729 8.063 7.002 154 HH21 ARG 26 HH21 ARG 26 -10.123 5.924 8.388 155 HH22 ARG 26 HH22 ARG 26 -9.861 7.374 7.479 156 H TRP 27 H TRP 27 -3.576 1.768 6.216 157 HA TRP 27 HA TRP 27 -5.749 0.752 4.580 158 HB2 TRP 27 HB2 TRP 27 -3.022 1.640 3.637 159 HB3 TRP 27 HB3 TRP 27 -4.509 1.536 2.698 160 HD1 TRP 27 HD1 TRP 27 -6.543 3.195 4.213 161 HE1 TRP 27 HE1 TRP 27 -6.223 5.708 4.665 162 HE3 TRP 27 HE3 TRP 27 -1.462 3.469 3.717 163 HZ2 TRP 27 HZ2 TRP 27 -4.099 7.562 4.794 164 HZ3 TRP 27 HZ3 TRP 27 -0.364 5.650 4.019 165 HH2 TRP 27 HH2 TRP 27 -1.656 7.653 4.546 166 H GLY 28 H GLY 28 -2.240 0.090 4.561 167 HA2 GLY 28 HA2 GLY 28 -1.301 -2.082 4.892 168 HA3 GLY 28 HA3 GLY 28 -2.852 -2.782 4.453 169 H VAL 29 H VAL 29 -0.932 -0.315 2.775 170 HA VAL 29 HA VAL 29 -0.341 -2.212 0.635 171 HB VAL 29 HB VAL 29 -1.682 0.431 0.055 172 HG11 VAL 29 HG11 VAL 29 -0.188 -0.251 -1.706 173 HG12 VAL 29 HG12 VAL 29 -0.877 -1.875 -1.714 174 HG13 VAL 29 HG13 VAL 29 -1.852 -0.500 -2.235 175 HG21 VAL 29 HG21 VAL 29 -3.394 -0.877 0.970 176 HG22 VAL 29 HG22 VAL 29 -3.550 -1.116 -0.771 177 HG23 VAL 29 HG23 VAL 29 -2.787 -2.356 0.225 Start of MODEL 19 1 H1 CYS 1 H CYS 1 2.053 0.414 1.223 2 HA CYS 1 HA CYS 1 2.059 1.050 -1.321 3 HB2 CYS 1 HB2 CYS 1 4.326 -0.130 -1.578 4 HB3 CYS 1 HB3 CYS 1 4.166 1.044 -0.277 5 H GLY 2 H GLY 2 2.081 -2.343 -0.274 6 HA2 GLY 2 HA2 GLY 2 0.566 -3.816 -1.587 7 HA3 GLY 2 HA3 GLY 2 1.271 -3.081 -3.019 8 H GLU 3 H GLU 3 3.312 -3.780 -0.313 9 HA GLU 3 HA GLU 3 4.391 -6.110 -1.760 10 HB2 GLU 3 HB2 GLU 3 5.936 -4.066 -0.156 11 HB3 GLU 3 HB3 GLU 3 6.621 -5.480 -0.945 12 HG2 GLU 3 HG2 GLU 3 5.099 -3.485 -2.554 13 HG3 GLU 3 HG3 GLU 3 6.762 -3.147 -2.079 14 H THR 4 H THR 4 6.146 -7.105 0.000 15 HA THR 4 HA THR 4 4.808 -7.400 2.580 16 HB THR 4 HB THR 4 3.788 -9.204 1.432 17 HG1 THR 4 HG1 THR 4 6.062 -10.362 2.695 18 HG21 THR 4 HG21 THR 4 4.745 -9.815 -0.505 19 HG22 THR 4 HG22 THR 4 5.715 -10.914 0.476 20 HG23 THR 4 HG23 THR 4 6.351 -9.330 0.035 21 H CYS 5 H CYS 5 6.237 -7.421 4.189 22 HA CYS 5 HA CYS 5 9.058 -7.940 3.531 23 HB2 CYS 5 HB2 CYS 5 9.551 -6.619 5.600 24 HB3 CYS 5 HB3 CYS 5 8.741 -5.697 4.337 25 H VAL 6 H VAL 6 8.108 -10.259 3.754 26 HA VAL 6 HA VAL 6 7.421 -11.378 6.198 27 HB VAL 6 HB VAL 6 9.072 -12.729 4.060 28 HG11 VAL 6 HG11 VAL 6 7.438 -13.706 6.369 29 HG12 VAL 6 HG12 VAL 6 7.673 -14.718 4.943 30 HG13 VAL 6 HG13 VAL 6 9.066 -14.171 5.877 31 HG21 VAL 6 HG21 VAL 6 7.255 -11.982 2.848 32 HG22 VAL 6 HG22 VAL 6 6.687 -13.555 3.406 33 HG23 VAL 6 HG23 VAL 6 6.158 -12.086 4.225 34 H GLY 7 H GLY 7 10.515 -10.325 5.030 35 HA2 GLY 7 HA2 GLY 7 12.033 -11.791 7.003 36 HA3 GLY 7 HA3 GLY 7 12.657 -10.584 5.888 37 H GLY 8 H GLY 8 10.381 -8.776 6.886 38 HA2 GLY 8 HA2 GLY 8 9.928 -7.506 8.836 39 HA3 GLY 8 HA3 GLY 8 11.380 -8.169 9.573 40 H THR 9 H THR 9 11.335 -6.854 6.333 41 HA THR 9 HA THR 9 12.607 -4.386 7.274 42 HB THR 9 HB THR 9 14.520 -5.716 6.802 43 HG1 THR 9 HG1 THR 9 15.278 -4.071 5.724 44 HG21 THR 9 HG21 THR 9 14.259 -7.529 5.523 45 HG22 THR 9 HG22 THR 9 14.399 -6.461 4.126 46 HG23 THR 9 HG23 THR 9 12.808 -6.870 4.768 47 H CYS 10 H CYS 10 11.231 -2.896 6.529 48 HA CYS 10 HA CYS 10 10.806 -2.711 3.663 49 HB2 CYS 10 HB2 CYS 10 8.842 -3.908 5.194 50 HB3 CYS 10 HB3 CYS 10 8.299 -2.237 5.092 51 H ASN 11 H ASN 11 12.342 -1.169 5.476 52 HA ASN 11 HA ASN 11 10.924 1.198 6.220 53 HB2 ASN 11 HB2 ASN 11 13.910 0.970 5.857 54 HB3 ASN 11 HB3 ASN 11 13.026 2.052 6.929 55 HD21 ASN 11 HD21 ASN 11 14.652 -0.861 6.665 56 HD22 ASN 11 HD22 ASN 11 14.192 -1.552 8.181 57 H THR 12 H THR 12 9.899 1.539 4.098 58 HA THR 12 HA THR 12 11.694 2.943 2.227 59 HB THR 12 HB THR 12 9.333 2.453 0.840 60 HG1 THR 12 HG1 THR 12 10.122 -0.007 1.999 61 HG21 THR 12 HG21 THR 12 11.021 2.046 -0.570 62 HG22 THR 12 HG22 THR 12 11.067 0.416 0.101 63 HG23 THR 12 HG23 THR 12 12.126 1.667 0.751 64 HA PRO 13 HA PRO 13 9.480 6.678 2.888 65 HB2 PRO 13 HB2 PRO 13 9.633 7.821 0.430 66 HB3 PRO 13 HB3 PRO 13 11.020 7.692 1.518 67 HG2 PRO 13 HG2 PRO 13 10.276 5.969 -0.814 68 HG3 PRO 13 HG3 PRO 13 11.867 6.598 -0.351 69 HD2 PRO 13 HD2 PRO 13 11.094 4.058 0.180 70 HD3 PRO 13 HD3 PRO 13 12.189 4.966 1.244 71 H GLY 14 H GLY 14 7.388 5.769 3.266 72 HA2 GLY 14 HA2 GLY 14 5.130 6.427 2.610 73 HA3 GLY 14 HA3 GLY 14 5.582 6.072 0.949 74 H CYS 15 H CYS 15 6.930 3.761 2.915 75 HA CYS 15 HA CYS 15 4.571 2.027 2.887 76 HB2 CYS 15 HB2 CYS 15 5.755 1.591 0.778 77 HB3 CYS 15 HB3 CYS 15 7.238 1.273 1.672 78 H THR 16 H THR 16 4.385 1.683 5.020 79 HA THR 16 HA THR 16 6.754 1.190 6.642 80 HB THR 16 HB THR 16 4.663 0.869 8.361 81 HG1 THR 16 HG1 THR 16 3.086 1.401 6.845 82 HG21 THR 16 HG21 THR 16 6.738 2.564 8.120 83 HG22 THR 16 HG22 THR 16 5.461 2.765 9.320 84 HG23 THR 16 HG23 THR 16 5.406 3.678 7.813 85 H CYS 17 H CYS 17 7.433 -0.769 7.217 86 HA CYS 17 HA CYS 17 6.475 -3.127 6.148 87 HB2 CYS 17 HB2 CYS 17 8.717 -2.793 7.208 88 HB3 CYS 17 HB3 CYS 17 7.935 -2.872 8.783 89 H SER 18 H SER 18 5.022 -4.661 6.735 90 HA SER 18 HA SER 18 3.666 -4.440 9.312 91 HB2 SER 18 HB2 SER 18 2.121 -4.552 6.713 92 HB3 SER 18 HB3 SER 18 1.452 -4.433 8.340 93 HG SER 18 HG SER 18 2.399 -2.377 8.514 94 H TRP 19 H TRP 19 5.407 -6.370 8.902 95 HA TRP 19 HA TRP 19 5.024 -8.650 7.582 96 HB2 TRP 19 HB2 TRP 19 6.686 -8.241 9.443 97 HB3 TRP 19 HB3 TRP 19 5.415 -8.688 10.577 98 HD1 TRP 19 HD1 TRP 19 7.935 -10.174 8.185 99 HE1 TRP 19 HE1 TRP 19 7.875 -12.740 8.371 100 HE3 TRP 19 HE3 TRP 19 3.745 -10.680 11.071 101 HZ2 TRP 19 HZ2 TRP 19 6.264 -14.718 9.581 102 HZ3 TRP 19 HZ3 TRP 19 3.012 -12.944 11.698 103 HH2 TRP 19 HH2 TRP 19 4.247 -14.919 10.967 104 HA PRO 20 HA PRO 20 4.890 -10.803 7.472 105 HB2 PRO 20 HB2 PRO 20 3.311 -12.086 5.675 106 HB3 PRO 20 HB3 PRO 20 3.644 -12.725 7.289 107 HG2 PRO 20 HG2 PRO 20 1.245 -11.231 6.301 108 HG3 PRO 20 HG3 PRO 20 1.320 -12.658 7.351 109 HD2 PRO 20 HD2 PRO 20 0.931 -10.158 8.316 110 HD3 PRO 20 HD3 PRO 20 1.803 -11.408 9.226 111 H VAL 21 H VAL 21 2.029 -9.235 6.068 112 HA VAL 21 HA VAL 21 3.227 -8.655 3.563 113 HB VAL 21 HB VAL 21 1.335 -7.261 3.117 114 HG11 VAL 21 HG11 VAL 21 0.978 -9.719 3.207 115 HG12 VAL 21 HG12 VAL 21 0.376 -9.530 4.856 116 HG13 VAL 21 HG13 VAL 21 -0.483 -8.779 3.510 117 HG21 VAL 21 HG21 VAL 21 -0.336 -6.872 5.033 118 HG22 VAL 21 HG22 VAL 21 1.021 -7.230 6.101 119 HG23 VAL 21 HG23 VAL 21 1.115 -5.871 4.981 120 H CYS 22 H CYS 22 2.778 -6.006 3.075 121 HA CYS 22 HA CYS 22 4.210 -4.424 5.043 122 HB2 CYS 22 HB2 CYS 22 6.083 -5.331 3.855 123 HB3 CYS 22 HB3 CYS 22 5.325 -5.012 2.299 124 H GLY 23 H GLY 23 3.723 -2.277 4.939 125 HA2 GLY 23 HA2 GLY 23 3.087 -0.603 2.972 126 HA3 GLY 23 HA3 GLY 23 1.604 -1.539 3.081 127 H HIS 24 H HIS 24 0.228 -1.252 4.816 128 HA HIS 24 HA HIS 24 0.996 0.569 6.949 129 HB2 HIS 24 HB2 HIS 24 -1.412 1.156 5.219 130 HB3 HIS 24 HB3 HIS 24 -0.835 2.107 6.584 131 HD1 HIS 24 HD1 HIS 24 1.241 3.605 6.191 132 HD2 HIS 24 HD2 HIS 24 -0.046 1.554 2.815 133 HE1 HIS 24 HE1 HIS 24 2.440 4.675 4.257 134 H PHE 25 H PHE 25 -1.405 1.025 8.122 135 HA PHE 25 HA PHE 25 -2.370 -1.696 8.708 136 HB2 PHE 25 HB2 PHE 25 -2.953 0.293 10.754 137 HB3 PHE 25 HB3 PHE 25 -2.172 -1.278 10.906 138 HD1 PHE 25 HD2 PHE 25 -1.655 2.305 10.412 139 HD2 PHE 25 HD1 PHE 25 0.230 -1.490 10.807 140 HE1 PHE 25 HE2 PHE 25 0.506 3.421 10.781 141 HE2 PHE 25 HE1 PHE 25 2.395 -0.381 11.177 142 HZ PHE 25 HZ PHE 25 2.535 2.078 11.163 143 H ARG 26 H ARG 26 -3.301 1.662 8.218 144 HA ARG 26 HA ARG 26 -6.100 1.200 8.598 145 HB2 ARG 26 HB2 ARG 26 -4.392 3.450 8.231 146 HB3 ARG 26 HB3 ARG 26 -5.649 3.521 7.003 147 HG2 ARG 26 HG2 ARG 26 -7.212 3.015 9.064 148 HG3 ARG 26 HG3 ARG 26 -5.863 3.722 9.957 149 HD2 ARG 26 HD2 ARG 26 -6.426 5.777 9.315 150 HD3 ARG 26 HD3 ARG 26 -6.486 5.291 7.621 151 HE ARG 26 HE ARG 26 -8.765 5.147 7.781 152 HH11 ARG 26 HH11 ARG 26 -7.400 5.246 10.982 153 HH12 ARG 26 HH12 ARG 26 -8.934 5.399 11.773 154 HH21 ARG 26 HH21 ARG 26 -10.790 5.348 8.810 155 HH22 ARG 26 HH22 ARG 26 -10.862 5.456 10.537 156 H TRP 27 H TRP 27 -4.071 1.796 5.732 157 HA TRP 27 HA TRP 27 -6.277 0.975 4.004 158 HB2 TRP 27 HB2 TRP 27 -3.538 1.907 3.141 159 HB3 TRP 27 HB3 TRP 27 -5.016 1.869 2.185 160 HD1 TRP 27 HD1 TRP 27 -7.062 3.454 3.727 161 HE1 TRP 27 HE1 TRP 27 -6.735 5.928 4.359 162 HE3 TRP 27 HE3 TRP 27 -1.965 3.701 3.426 163 HZ2 TRP 27 HZ2 TRP 27 -4.598 7.743 4.686 164 HZ3 TRP 27 HZ3 TRP 27 -0.857 5.843 3.913 165 HH2 TRP 27 HH2 TRP 27 -2.148 7.821 4.530 166 H GLY 28 H GLY 28 -2.770 0.308 3.939 167 HA2 GLY 28 HA2 GLY 28 -1.956 -1.969 4.257 168 HA3 GLY 28 HA3 GLY 28 -3.433 -2.534 3.490 169 H VAL 29 H VAL 29 -1.397 0.131 2.397 170 HA VAL 29 HA VAL 29 -0.275 -1.488 0.259 171 HB VAL 29 HB VAL 29 -1.006 0.267 -1.445 172 HG11 VAL 29 HG11 VAL 29 -1.978 -2.140 -0.899 173 HG12 VAL 29 HG12 VAL 29 -3.416 -1.193 -0.513 174 HG13 VAL 29 HG13 VAL 29 -2.700 -1.096 -2.123 175 HG21 VAL 29 HG21 VAL 29 -3.464 0.793 0.033 176 HG22 VAL 29 HG22 VAL 29 -2.039 1.530 0.766 177 HG23 VAL 29 HG23 VAL 29 -2.453 1.888 -0.910 Start of MODEL 20 1 H1 CYS 1 H CYS 1 1.361 -0.881 0.643 2 HA CYS 1 HA CYS 1 2.555 0.108 -1.805 3 HB2 CYS 1 HB2 CYS 1 3.495 -1.110 0.677 4 HB3 CYS 1 HB3 CYS 1 4.299 -1.765 -0.746 5 H GLY 2 H GLY 2 1.057 -2.796 -0.615 6 HA2 GLY 2 HA2 GLY 2 0.271 -4.608 -1.821 7 HA3 GLY 2 HA3 GLY 2 0.944 -3.885 -3.275 8 H GLU 3 H GLU 3 3.039 -4.266 -0.567 9 HA GLU 3 HA GLU 3 4.294 -6.581 -1.892 10 HB2 GLU 3 HB2 GLU 3 5.688 -4.445 -0.272 11 HB3 GLU 3 HB3 GLU 3 6.451 -5.766 -1.144 12 HG2 GLU 3 HG2 GLU 3 5.950 -4.824 -3.232 13 HG3 GLU 3 HG3 GLU 3 4.785 -3.699 -2.536 14 H THR 4 H THR 4 6.088 -7.370 -0.056 15 HA THR 4 HA THR 4 4.733 -7.684 2.508 16 HB THR 4 HB THR 4 3.825 -9.589 1.477 17 HG1 THR 4 HG1 THR 4 5.250 -11.342 2.395 18 HG21 THR 4 HG21 THR 4 4.751 -10.061 -0.529 19 HG22 THR 4 HG22 THR 4 5.723 -11.199 0.403 20 HG23 THR 4 HG23 THR 4 6.372 -9.611 -0.001 21 H CYS 5 H CYS 5 6.134 -7.653 4.151 22 HA CYS 5 HA CYS 5 8.991 -7.995 3.526 23 HB2 CYS 5 HB2 CYS 5 9.371 -6.603 5.583 24 HB3 CYS 5 HB3 CYS 5 8.563 -5.756 4.268 25 H VAL 6 H VAL 6 8.053 -10.355 3.818 26 HA VAL 6 HA VAL 6 7.440 -11.444 6.274 27 HB VAL 6 HB VAL 6 9.178 -12.744 4.172 28 HG11 VAL 6 HG11 VAL 6 8.049 -14.825 5.097 29 HG12 VAL 6 HG12 VAL 6 9.275 -14.068 6.117 30 HG13 VAL 6 HG13 VAL 6 7.563 -13.825 6.465 31 HG21 VAL 6 HG21 VAL 6 7.322 -12.230 2.935 32 HG22 VAL 6 HG22 VAL 6 6.803 -13.762 3.638 33 HG23 VAL 6 HG23 VAL 6 6.249 -12.240 4.334 34 H GLY 7 H GLY 7 10.596 -10.571 4.975 35 HA2 GLY 7 HA2 GLY 7 12.151 -11.814 6.993 36 HA3 GLY 7 HA3 GLY 7 12.685 -10.518 5.932 37 H GLY 8 H GLY 8 10.490 -8.743 6.834 38 HA2 GLY 8 HA2 GLY 8 9.858 -7.624 8.861 39 HA3 GLY 8 HA3 GLY 8 11.319 -8.247 9.614 40 H THR 9 H THR 9 11.104 -6.708 6.450 41 HA THR 9 HA THR 9 12.237 -4.235 7.477 42 HB THR 9 HB THR 9 14.079 -4.348 5.711 43 HG1 THR 9 HG1 THR 9 13.266 -7.070 5.813 44 HG21 THR 9 HG21 THR 9 14.546 -4.500 8.102 45 HG22 THR 9 HG22 THR 9 15.597 -5.587 7.195 46 HG23 THR 9 HG23 THR 9 14.208 -6.229 8.070 47 H CYS 10 H CYS 10 10.887 -2.801 6.608 48 HA CYS 10 HA CYS 10 10.635 -2.675 3.719 49 HB2 CYS 10 HB2 CYS 10 8.637 -3.953 5.130 50 HB3 CYS 10 HB3 CYS 10 8.022 -2.310 4.989 51 H ASN 11 H ASN 11 11.837 -1.092 5.898 52 HA ASN 11 HA ASN 11 10.257 1.249 6.293 53 HB2 ASN 11 HB2 ASN 11 12.465 2.234 7.064 54 HB3 ASN 11 HB3 ASN 11 11.929 0.794 7.925 55 HD21 ASN 11 HD21 ASN 11 14.429 2.243 6.217 56 HD22 ASN 11 HD22 ASN 11 15.454 0.862 6.044 57 H THR 12 H THR 12 9.618 1.710 4.106 58 HA THR 12 HA THR 12 11.744 2.846 2.421 59 HB THR 12 HB THR 12 9.558 2.889 0.814 60 HG1 THR 12 HG1 THR 12 9.307 0.460 2.267 61 HG21 THR 12 HG21 THR 12 10.432 0.714 -0.103 62 HG22 THR 12 HG22 THR 12 11.530 0.654 1.276 63 HG23 THR 12 HG23 THR 12 11.648 1.973 0.112 64 HA PRO 13 HA PRO 13 10.321 6.965 2.944 65 HB2 PRO 13 HB2 PRO 13 10.645 7.998 0.454 66 HB3 PRO 13 HB3 PRO 13 12.003 7.618 1.520 67 HG2 PRO 13 HG2 PRO 13 10.876 6.027 -0.752 68 HG3 PRO 13 HG3 PRO 13 12.572 6.334 -0.333 69 HD2 PRO 13 HD2 PRO 13 11.317 4.014 0.279 70 HD3 PRO 13 HD3 PRO 13 12.594 4.706 1.299 71 H GLY 14 H GLY 14 8.087 6.319 3.348 72 HA2 GLY 14 HA2 GLY 14 5.997 7.483 2.705 73 HA3 GLY 14 HA3 GLY 14 6.328 6.963 1.059 74 H CYS 15 H CYS 15 7.245 4.518 3.097 75 HA CYS 15 HA CYS 15 4.593 3.309 3.285 76 HB2 CYS 15 HB2 CYS 15 6.525 2.615 1.276 77 HB3 CYS 15 HB3 CYS 15 6.299 1.250 2.364 78 H THR 16 H THR 16 4.500 1.487 4.710 79 HA THR 16 HA THR 16 6.833 1.231 6.490 80 HB THR 16 HB THR 16 5.020 0.815 8.316 81 HG1 THR 16 HG1 THR 16 3.207 0.923 6.948 82 HG21 THR 16 HG21 THR 16 6.660 2.819 7.930 83 HG22 THR 16 HG22 THR 16 5.335 2.972 9.084 84 HG23 THR 16 HG23 THR 16 5.189 3.679 7.476 85 H CYS 17 H CYS 17 6.955 -0.778 7.676 86 HA CYS 17 HA CYS 17 6.178 -3.020 6.052 87 HB2 CYS 17 HB2 CYS 17 8.379 -2.928 7.164 88 HB3 CYS 17 HB3 CYS 17 7.580 -2.958 8.732 89 H SER 18 H SER 18 4.790 -4.691 6.587 90 HA SER 18 HA SER 18 3.222 -4.460 9.043 91 HB2 SER 18 HB2 SER 18 2.078 -4.392 6.250 92 HB3 SER 18 HB3 SER 18 1.115 -4.842 7.657 93 HG SER 18 HG SER 18 2.367 -2.368 7.100 94 H TRP 19 H TRP 19 5.067 -6.332 8.824 95 HA TRP 19 HA TRP 19 4.825 -8.664 7.534 96 HB2 TRP 19 HB2 TRP 19 6.402 -8.121 9.444 97 HB3 TRP 19 HB3 TRP 19 5.113 -8.613 10.539 98 HD1 TRP 19 HD1 TRP 19 7.769 -10.012 8.231 99 HE1 TRP 19 HE1 TRP 19 7.842 -12.573 8.479 100 HE3 TRP 19 HE3 TRP 19 3.564 -10.673 11.063 101 HZ2 TRP 19 HZ2 TRP 19 6.318 -14.604 9.712 102 HZ3 TRP 19 HZ3 TRP 19 2.942 -12.957 11.734 103 HH2 TRP 19 HH2 TRP 19 4.291 -14.881 11.071 104 HA PRO 20 HA PRO 20 4.776 -10.825 7.495 105 HB2 PRO 20 HB2 PRO 20 3.305 -12.226 5.693 106 HB3 PRO 20 HB3 PRO 20 3.608 -12.798 7.338 107 HG2 PRO 20 HG2 PRO 20 1.190 -11.430 6.223 108 HG3 PRO 20 HG3 PRO 20 1.283 -12.817 7.323 109 HD2 PRO 20 HD2 PRO 20 0.770 -10.303 8.188 110 HD3 PRO 20 HD3 PRO 20 1.657 -11.488 9.169 111 H VAL 21 H VAL 21 1.921 -9.357 5.989 112 HA VAL 21 HA VAL 21 3.127 -8.853 3.475 113 HB VAL 21 HB VAL 21 1.241 -7.469 2.981 114 HG11 VAL 21 HG11 VAL 21 -0.519 -8.993 3.281 115 HG12 VAL 21 HG12 VAL 21 0.943 -9.982 3.296 116 HG13 VAL 21 HG13 VAL 21 0.135 -9.578 4.811 117 HG21 VAL 21 HG21 VAL 21 1.202 -6.081 4.954 118 HG22 VAL 21 HG22 VAL 21 -0.387 -6.813 4.728 119 HG23 VAL 21 HG23 VAL 21 0.712 -7.451 5.951 120 H CYS 22 H CYS 22 2.708 -6.227 2.889 121 HA CYS 22 HA CYS 22 4.152 -4.593 4.810 122 HB2 CYS 22 HB2 CYS 22 6.012 -5.529 3.633 123 HB3 CYS 22 HB3 CYS 22 5.235 -5.269 2.074 124 H GLY 23 H GLY 23 3.719 -2.429 4.624 125 HA2 GLY 23 HA2 GLY 23 3.041 -0.832 2.605 126 HA3 GLY 23 HA3 GLY 23 1.548 -1.736 2.810 127 H HIS 24 H HIS 24 0.270 -1.391 4.626 128 HA HIS 24 HA HIS 24 1.138 0.522 6.630 129 HB2 HIS 24 HB2 HIS 24 -1.293 1.076 4.917 130 HB3 HIS 24 HB3 HIS 24 -0.732 2.049 6.274 131 HD1 HIS 24 HD1 HIS 24 1.376 3.519 5.885 132 HD2 HIS 24 HD2 HIS 24 0.060 1.475 2.516 133 HE1 HIS 24 HE1 HIS 24 2.580 4.574 3.945 134 H PHE 25 H PHE 25 -1.190 1.067 7.888 135 HA PHE 25 HA PHE 25 -2.196 -1.607 8.607 136 HB2 PHE 25 HB2 PHE 25 -2.639 0.445 10.619 137 HB3 PHE 25 HB3 PHE 25 -1.865 -1.129 10.775 138 HD1 PHE 25 HD2 PHE 25 0.536 -1.369 10.495 139 HD2 PHE 25 HD1 PHE 25 -1.353 2.436 10.223 140 HE1 PHE 25 HE2 PHE 25 2.725 -0.270 10.725 141 HE2 PHE 25 HE1 PHE 25 0.834 3.541 10.452 142 HZ PHE 25 HZ PHE 25 2.876 2.188 10.705 143 H ARG 26 H ARG 26 -3.062 1.767 8.082 144 HA ARG 26 HA ARG 26 -5.858 1.361 8.573 145 HB2 ARG 26 HB2 ARG 26 -4.098 3.592 7.941 146 HB3 ARG 26 HB3 ARG 26 -5.617 3.679 7.059 147 HG2 ARG 26 HG2 ARG 26 -5.600 3.174 10.006 148 HG3 ARG 26 HG3 ARG 26 -5.435 4.811 9.366 149 HD2 ARG 26 HD2 ARG 26 -7.537 4.551 8.149 150 HD3 ARG 26 HD3 ARG 26 -7.695 2.906 8.764 151 HE ARG 26 HE ARG 26 -8.381 5.307 10.124 152 HH11 ARG 26 HH11 ARG 26 -7.129 2.095 10.613 153 HH12 ARG 26 HH12 ARG 26 -7.691 1.984 12.248 154 HH21 ARG 26 HH21 ARG 26 -9.126 5.172 12.276 155 HH22 ARG 26 HH22 ARG 26 -8.828 3.734 13.192 156 H TRP 27 H TRP 27 -4.016 2.136 5.615 157 HA TRP 27 HA TRP 27 -6.260 1.306 3.971 158 HB2 TRP 27 HB2 TRP 27 -3.526 2.194 3.042 159 HB3 TRP 27 HB3 TRP 27 -5.022 2.172 2.112 160 HD1 TRP 27 HD1 TRP 27 -7.021 3.762 3.732 161 HE1 TRP 27 HE1 TRP 27 -6.661 6.235 4.348 162 HE3 TRP 27 HE3 TRP 27 -1.937 3.987 3.247 163 HZ2 TRP 27 HZ2 TRP 27 -4.507 8.042 4.595 164 HZ3 TRP 27 HZ3 TRP 27 -0.804 6.126 3.690 165 HH2 TRP 27 HH2 TRP 27 -2.064 8.110 4.350 166 H GLY 28 H GLY 28 -2.777 0.546 3.771 167 HA2 GLY 28 HA2 GLY 28 -1.874 -1.654 3.889 168 HA3 GLY 28 HA3 GLY 28 -3.468 -2.296 3.524 169 H VAL 29 H VAL 29 -1.202 -0.016 1.973 170 HA VAL 29 HA VAL 29 -1.140 -1.716 -0.394 171 HB VAL 29 HB VAL 29 -1.541 0.316 -1.860 172 HG11 VAL 29 HG11 VAL 29 -4.047 -0.259 -0.366 173 HG12 VAL 29 HG12 VAL 29 -3.744 -0.243 -2.104 174 HG13 VAL 29 HG13 VAL 29 -3.198 -1.605 -1.124 175 HG21 VAL 29 HG21 VAL 29 -1.547 1.654 0.559 176 HG22 VAL 29 HG22 VAL 29 -2.068 2.305 -0.996 177 HG23 VAL 29 HG23 VAL 29 -3.251 1.598 0.105
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