NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
558238 | 2m2s | 18931 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -11.896 -2.721 1.112 2 HA2 GLY 1 2HA GLY 1 -12.297 -4.379 -0.499 3 HA3 GLY 1 1HA GLY 1 -13.321 -3.250 -1.375 4 H VAL 2 H VAL 2 -10.796 -1.372 -0.789 5 HA VAL 2 HA VAL 2 -9.579 -2.046 -3.354 6 HB VAL 2 HB VAL 2 -9.321 0.503 -1.722 7 HG11 VAL 2 1HG1 VAL 2 -8.469 -0.109 -4.552 8 HG12 VAL 2 2HG1 VAL 2 -7.404 0.144 -3.171 9 HG13 VAL 2 3HG1 VAL 2 -8.389 1.474 -3.781 10 HG21 VAL 2 3HG2 VAL 2 -11.033 -0.062 -4.148 11 HG22 VAL 2 1HG2 VAL 2 -10.801 1.523 -3.407 12 HG23 VAL 2 2HG2 VAL 2 -11.607 0.240 -2.508 13 H CYS 3 H CYS 3 -7.827 -3.244 -3.182 14 HA CYS 3 HA CYS 3 -6.103 -2.906 -0.858 15 HB2 CYS 3 2HB CYS 3 -6.146 -5.083 -2.955 16 HB3 CYS 3 1HB CYS 3 -5.005 -4.996 -1.618 17 H ARG 4 H ARG 4 -4.751 -1.408 -1.062 18 HA ARG 4 HA ARG 4 -3.450 -1.020 -3.644 19 HB2 ARG 4 2HB ARG 4 -4.592 0.956 -2.742 20 HB3 ARG 4 1HB ARG 4 -3.637 0.851 -1.275 21 HG2 ARG 4 2HG ARG 4 -2.797 2.603 -2.767 22 HG3 ARG 4 1HG ARG 4 -1.601 1.327 -2.540 23 HD2 ARG 4 2HD ARG 4 -1.697 2.015 -4.875 24 HD3 ARG 4 1HD ARG 4 -2.226 0.346 -4.692 25 HE ARG 4 HE ARG 4 -4.328 2.310 -4.662 26 HH11 ARG 4 1HH1 ARG 4 -2.441 0.094 -6.738 27 HH12 ARG 4 2HH1 ARG 4 -3.571 0.154 -8.010 28 HH21 ARG 4 1HH2 ARG 4 -5.852 2.338 -6.465 29 HH22 ARG 4 2HH2 ARG 4 -5.499 1.413 -7.856 30 H ABA 5 H ABA 5 -1.644 -2.128 -3.746 31 HA ABA 5 HA ABA 5 -0.019 -2.465 -1.358 32 HB3 ABA 5 1HB ABA 5 0.236 -3.763 -4.083 33 HB2 ABA 5 2HB ABA 5 -0.575 -4.486 -2.698 34 HG1 ABA 5 3HG ABA 5 1.532 -4.497 -1.468 35 HG3 ABA 5 1HG ABA 5 2.347 -3.791 -2.863 36 HG2 ABA 5 2HG ABA 5 1.647 -5.406 -2.975 37 H VAL 6 H VAL 6 1.128 -0.748 -1.059 38 HA VAL 6 HA VAL 6 2.455 0.613 -3.282 39 HB VAL 6 HB VAL 6 2.623 1.271 -0.353 40 HG11 VAL 6 1HG1 VAL 6 4.275 2.376 -1.672 41 HG12 VAL 6 2HG1 VAL 6 3.099 3.556 -1.092 42 HG13 VAL 6 3HG1 VAL 6 3.040 3.003 -2.766 43 HG21 VAL 6 3HG2 VAL 6 0.540 2.308 -2.274 44 HG22 VAL 6 1HG2 VAL 6 0.797 2.918 -0.639 45 HG23 VAL 6 2HG2 VAL 6 0.250 1.257 -0.888 46 H ABA 7 H ABA 7 4.679 0.585 -3.388 47 HA ABA 7 HA ABA 7 6.106 -0.974 -1.379 48 HB3 ABA 7 1HB ABA 7 6.502 -1.383 -4.355 49 HB2 ABA 7 2HB ABA 7 5.626 -2.491 -3.302 50 HG1 ABA 7 3HG ABA 7 7.883 -3.286 -3.732 51 HG3 ABA 7 1HG ABA 7 7.669 -2.893 -2.025 52 HG2 ABA 7 2HG ABA 7 8.544 -1.786 -3.083 53 H ARG 8 H ARG 8 7.683 0.194 -0.632 54 HA ARG 8 HA ARG 8 8.876 2.197 -2.425 55 HB2 ARG 8 2HB ARG 8 7.660 3.068 -0.397 56 HB3 ARG 8 1HB ARG 8 8.862 2.265 0.599 57 HG2 ARG 8 2HG ARG 8 10.623 3.625 -0.426 58 HG3 ARG 8 1HG ARG 8 9.400 4.440 -1.404 59 HD2 ARG 8 2HD ARG 8 9.588 4.462 1.602 60 HD3 ARG 8 1HD ARG 8 9.952 5.797 0.507 61 HE ARG 8 HE ARG 8 7.287 4.734 0.280 62 HH11 ARG 8 1HH1 ARG 8 9.320 7.260 1.711 63 HH12 ARG 8 2HH1 ARG 8 7.993 8.225 2.168 64 HH21 ARG 8 1HH2 ARG 8 5.508 6.024 0.980 65 HH22 ARG 8 2HH2 ARG 8 5.800 7.521 1.762 66 H ARG 9 H ARG 9 10.120 0.439 -3.210 67 HA ARG 9 HA ARG 9 11.892 -0.911 -3.422 68 HB2 ARG 9 2HB ARG 9 12.990 1.307 -3.346 69 HB3 ARG 9 1HB ARG 9 13.223 1.123 -1.616 70 HG2 ARG 9 2HG ARG 9 14.707 -0.750 -1.976 71 HG3 ARG 9 1HG ARG 9 14.407 -0.690 -3.713 72 HD2 ARG 9 2HD ARG 9 16.526 0.372 -3.172 73 HD3 ARG 9 1HD ARG 9 15.380 1.562 -3.787 74 HE ARG 9 HE ARG 9 15.640 1.218 -0.910 75 HH11 ARG 9 1HH1 ARG 9 16.278 3.251 -3.748 76 HH12 ARG 9 2HH1 ARG 9 16.583 4.644 -2.812 77 HH21 ARG 9 1HH2 ARG 9 16.114 3.074 0.308 78 HH22 ARG 9 2HH2 ARG 9 16.502 4.554 -0.452 79 H GLY 10 H GLY 10 10.622 -2.462 -2.203 80 HA2 GLY 10 2HA GLY 10 11.108 -4.396 -0.899 81 HA3 GLY 10 1HA GLY 10 12.207 -3.424 0.068 82 H VAL 11 H VAL 11 10.411 -1.258 0.510 83 HA VAL 11 HA VAL 11 8.970 -2.320 2.746 84 HB VAL 11 HB VAL 11 8.893 0.496 1.616 85 HG11 VAL 11 1HG1 VAL 11 7.023 0.038 3.120 86 HG12 VAL 11 2HG1 VAL 11 8.155 1.178 3.848 87 HG13 VAL 11 3HG1 VAL 11 8.151 -0.503 4.369 88 HG21 VAL 11 3HG2 VAL 11 11.169 -0.132 2.193 89 HG22 VAL 11 1HG2 VAL 11 10.635 -0.650 3.790 90 HG23 VAL 11 2HG2 VAL 11 10.552 1.055 3.342 91 H ABA 12 H ABA 12 7.447 -3.648 1.950 92 HA ABA 12 HA ABA 12 5.502 -2.736 0.016 93 HB3 ABA 12 1HB ABA 12 5.762 -5.360 1.511 94 HB2 ABA 12 2HB ABA 12 6.367 -5.039 -0.107 95 HG1 ABA 12 3HG ABA 12 4.093 -4.751 -0.923 96 HG3 ABA 12 1HG ABA 12 3.471 -5.044 0.702 97 HG2 ABA 12 2HG ABA 12 4.310 -6.330 -0.166 98 H ARG 13 H ARG 13 3.576 -1.989 0.515 99 HA ARG 13 HA ARG 13 2.529 -2.299 3.233 100 HB2 ARG 13 2HB ARG 13 3.614 -0.055 2.811 101 HB3 ARG 13 1HB ARG 13 2.425 0.214 1.553 102 HG2 ARG 13 2HG ARG 13 1.800 1.373 3.574 103 HG3 ARG 13 1HG ARG 13 0.639 0.092 3.235 104 HD2 ARG 13 2HD ARG 13 1.317 0.239 5.630 105 HD3 ARG 13 1HD ARG 13 1.628 -1.338 4.901 106 HE ARG 13 HE ARG 13 3.837 0.499 4.803 107 HH11 ARG 13 1HH1 ARG 13 2.245 -1.945 6.802 108 HH12 ARG 13 2HH1 ARG 13 3.669 -2.415 7.610 109 HH21 ARG 13 1HH2 ARG 13 5.810 -0.166 5.922 110 HH22 ARG 13 2HH2 ARG 13 5.732 -1.414 7.080 111 H ABA 14 H ABA 14 0.995 -3.796 2.613 112 HA ABA 14 HA ABA 14 -0.693 -3.160 0.312 113 HB3 ABA 14 1HB ABA 14 -0.472 -5.724 1.906 114 HB2 ABA 14 2HB ABA 14 0.350 -5.419 0.383 115 HG1 ABA 14 3HG ABA 14 -2.628 -5.572 0.792 116 HG3 ABA 14 1HG ABA 14 -1.609 -6.794 0.037 117 HG2 ABA 14 2HG ABA 14 -1.826 -5.223 -0.736 118 H VAL 15 H VAL 15 -2.127 -1.728 1.030 119 HA VAL 15 HA VAL 15 -3.563 -2.428 3.465 120 HB VAL 15 HB VAL 15 -4.441 -0.069 3.470 121 HG11 VAL 15 1HG1 VAL 15 -2.576 -0.681 4.881 122 HG12 VAL 15 2HG1 VAL 15 -2.343 0.953 4.258 123 HG13 VAL 15 3HG1 VAL 15 -1.447 -0.396 3.560 124 HG21 VAL 15 3HG2 VAL 15 -3.285 1.633 2.123 125 HG22 VAL 15 1HG2 VAL 15 -4.133 0.477 1.097 126 HG23 VAL 15 2HG2 VAL 15 -2.385 0.364 1.291 127 H CYS 16 H CYS 16 -5.415 -3.369 3.299 128 HA CYS 16 HA CYS 16 -7.005 -2.956 0.893 129 HB2 CYS 16 2HB CYS 16 -7.121 -5.103 3.022 130 HB3 CYS 16 1HB CYS 16 -8.309 -4.931 1.738 131 H ARG 17 H ARG 17 -8.239 -1.323 1.059 132 HA ARG 17 HA ARG 17 -9.756 -1.032 3.507 133 HB2 ARG 17 2HB ARG 17 -9.470 1.425 3.400 134 HB3 ARG 17 1HB ARG 17 -7.987 0.550 3.733 135 HG2 ARG 17 2HG ARG 17 -7.308 0.842 1.393 136 HG3 ARG 17 1HG ARG 17 -8.784 1.767 1.101 137 HD2 ARG 17 2HD ARG 17 -8.093 3.366 2.839 138 HD3 ARG 17 1HD ARG 17 -6.607 2.443 3.067 139 HE ARG 17 HE ARG 17 -7.091 3.371 0.381 140 HH11 ARG 17 1HH1 ARG 17 -5.444 3.980 3.466 141 HH12 ARG 17 2HH1 ARG 17 -4.458 5.224 2.840 142 HH21 ARG 17 1HH2 ARG 17 -5.664 5.072 -0.478 143 HH22 ARG 17 2HH2 ARG 17 -4.547 5.804 0.579 144 H ARG 18 H ARG 18 -11.727 -1.164 3.108 145 HA ARG 18 HA ARG 18 -13.779 -0.921 2.286 146 HB2 ARG 18 2HB ARG 18 -12.893 1.514 2.161 147 HB3 ARG 18 1HB ARG 18 -12.780 1.227 0.438 148 HG2 ARG 18 2HG ARG 18 -15.177 0.776 0.342 149 HG3 ARG 18 1HG ARG 18 -15.293 1.045 2.084 150 HD2 ARG 18 2HD ARG 18 -14.507 3.032 -0.035 151 HD3 ARG 18 1HD ARG 18 -15.961 3.043 0.964 152 HE ARG 18 HE ARG 18 -13.652 3.089 2.590 153 HH11 ARG 18 1HH1 ARG 18 -15.721 5.181 0.638 154 HH12 ARG 18 2HH1 ARG 18 -15.154 6.628 1.313 155 HH21 ARG 18 1HH2 ARG 18 -12.816 5.095 3.520 156 HH22 ARG 18 2HH2 ARG 18 -13.466 6.576 2.968 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -11.968 -2.492 1.673 2 HA2 GLY 1 2HA GLY 1 -12.022 -4.499 0.523 3 HA3 GLY 1 1HA GLY 1 -13.220 -3.817 -0.568 4 H VAL 2 H VAL 2 -10.887 -1.594 -0.533 5 HA VAL 2 HA VAL 2 -9.740 -2.612 -2.994 6 HB VAL 2 HB VAL 2 -9.575 0.135 -1.751 7 HG11 VAL 2 1HG1 VAL 2 -7.714 -0.321 -3.238 8 HG12 VAL 2 2HG1 VAL 2 -8.799 0.871 -3.952 9 HG13 VAL 2 3HG1 VAL 2 -8.829 -0.801 -4.518 10 HG21 VAL 2 3HG2 VAL 2 -11.867 -0.427 -2.374 11 HG22 VAL 2 1HG2 VAL 2 -11.328 -0.827 -4.003 12 HG23 VAL 2 2HG2 VAL 2 -11.203 0.832 -3.414 13 H CYS 3 H CYS 3 -7.889 -3.605 -2.784 14 HA CYS 3 HA CYS 3 -6.099 -2.789 -0.637 15 HB2 CYS 3 2HB CYS 3 -6.149 -5.306 -2.311 16 HB3 CYS 3 1HB CYS 3 -4.894 -4.930 -1.130 17 H ARG 4 H ARG 4 -4.443 -1.650 -1.086 18 HA ARG 4 HA ARG 4 -3.590 -1.408 -3.886 19 HB2 ARG 4 2HB ARG 4 -3.303 0.542 -1.590 20 HB3 ARG 4 1HB ARG 4 -2.731 0.807 -3.225 21 HG2 ARG 4 2HG ARG 4 -5.639 0.414 -2.532 22 HG3 ARG 4 1HG ARG 4 -4.863 1.988 -2.594 23 HD2 ARG 4 2HD ARG 4 -6.019 1.599 -4.668 24 HD3 ARG 4 1HD ARG 4 -4.290 1.570 -4.969 25 HE ARG 4 HE ARG 4 -5.449 -1.042 -4.562 26 HH11 ARG 4 1HH1 ARG 4 -4.758 1.488 -6.928 27 HH12 ARG 4 2HH1 ARG 4 -4.807 0.462 -8.279 28 HH21 ARG 4 1HH2 ARG 4 -5.568 -2.492 -6.456 29 HH22 ARG 4 2HH2 ARG 4 -5.286 -1.853 -8.003 30 H ABA 5 H ABA 5 -1.888 -2.674 -4.108 31 HA ABA 5 HA ABA 5 -0.023 -3.051 -1.904 32 HB3 ABA 5 1HB ABA 5 -0.130 -4.340 -4.645 33 HB2 ABA 5 2HB ABA 5 -0.810 -5.026 -3.175 34 HG1 ABA 5 3HG ABA 5 1.418 -5.172 -2.200 35 HG3 ABA 5 1HG ABA 5 2.106 -4.509 -3.679 36 HG2 ABA 5 2HG ABA 5 1.299 -6.077 -3.709 37 H VAL 6 H VAL 6 1.252 -1.329 -1.742 38 HA VAL 6 HA VAL 6 2.568 -0.303 -4.171 39 HB VAL 6 HB VAL 6 2.337 1.050 -1.466 40 HG11 VAL 6 1HG1 VAL 6 2.935 3.104 -2.645 41 HG12 VAL 6 2HG1 VAL 6 3.105 2.184 -4.143 42 HG13 VAL 6 3HG1 VAL 6 4.187 1.868 -2.786 43 HG21 VAL 6 3HG2 VAL 6 0.088 0.796 -2.373 44 HG22 VAL 6 1HG2 VAL 6 0.606 1.517 -3.895 45 HG23 VAL 6 2HG2 VAL 6 0.583 2.490 -2.430 46 H ABA 7 H ABA 7 4.873 0.100 -3.944 47 HA ABA 7 HA ABA 7 6.119 -1.426 -1.761 48 HB3 ABA 7 1HB ABA 7 7.042 -1.247 -4.643 49 HB2 ABA 7 2HB ABA 7 6.299 -2.657 -3.897 50 HG1 ABA 7 3HG ABA 7 8.711 -2.916 -4.084 51 HG3 ABA 7 1HG ABA 7 8.206 -2.880 -2.393 52 HG2 ABA 7 2HG ABA 7 8.946 -1.456 -3.126 53 H ARG 8 H ARG 8 7.247 -0.125 -0.503 54 HA ARG 8 HA ARG 8 8.595 2.178 -1.733 55 HB2 ARG 8 2HB ARG 8 6.592 2.900 -0.424 56 HB3 ARG 8 1HB ARG 8 7.283 2.150 1.005 57 HG2 ARG 8 2HG ARG 8 7.708 4.502 1.121 58 HG3 ARG 8 1HG ARG 8 9.238 3.678 0.798 59 HD2 ARG 8 2HD ARG 8 8.887 4.167 -1.636 60 HD3 ARG 8 1HD ARG 8 7.499 5.148 -1.179 61 HE ARG 8 HE ARG 8 9.937 5.847 0.155 62 HH11 ARG 8 1HH1 ARG 8 7.868 6.512 -2.649 63 HH12 ARG 8 2HH1 ARG 8 8.683 7.946 -3.059 64 HH21 ARG 8 1HH2 ARG 8 11.028 7.801 -0.437 65 HH22 ARG 8 2HH2 ARG 8 10.509 8.701 -1.788 66 H ARG 9 H ARG 9 10.712 1.885 -1.571 67 HA ARG 9 HA ARG 9 12.776 1.445 -0.815 68 HB2 ARG 9 2HB ARG 9 12.021 2.773 1.212 69 HB3 ARG 9 1HB ARG 9 11.522 1.269 1.953 70 HG2 ARG 9 2HG ARG 9 13.640 2.024 2.869 71 HG3 ARG 9 1HG ARG 9 13.842 0.508 2.002 72 HD2 ARG 9 2HD ARG 9 14.706 1.736 0.057 73 HD3 ARG 9 1HD ARG 9 14.498 3.253 0.940 74 HE ARG 9 HE ARG 9 16.063 1.589 2.498 75 HH11 ARG 9 1HH1 ARG 9 16.340 3.232 -0.633 76 HH12 ARG 9 2HH1 ARG 9 18.035 3.335 -0.576 77 HH21 ARG 9 1HH2 ARG 9 18.374 1.770 2.579 78 HH22 ARG 9 2HH2 ARG 9 19.222 2.481 1.274 79 H GLY 10 H GLY 10 10.952 -0.612 -1.642 80 HA2 GLY 10 2HA GLY 10 11.200 -2.882 -2.017 81 HA3 GLY 10 1HA GLY 10 12.474 -2.908 -0.801 82 H VAL 11 H VAL 11 9.898 -1.373 0.554 83 HA VAL 11 HA VAL 11 9.052 -3.809 1.916 84 HB VAL 11 HB VAL 11 8.460 -0.914 2.597 85 HG11 VAL 11 1HG1 VAL 11 6.837 -2.469 3.524 86 HG12 VAL 11 2HG1 VAL 11 7.833 -1.771 4.801 87 HG13 VAL 11 3HG1 VAL 11 8.140 -3.417 4.245 88 HG21 VAL 11 3HG2 VAL 11 10.855 -1.311 2.744 89 HG22 VAL 11 1HG2 VAL 11 10.576 -2.733 3.747 90 HG23 VAL 11 2HG2 VAL 11 10.168 -1.131 4.359 91 H ABA 12 H ABA 12 7.176 -4.679 1.376 92 HA ABA 12 HA ABA 12 5.478 -3.320 -0.507 93 HB3 ABA 12 1HB ABA 12 5.303 -6.091 0.701 94 HB2 ABA 12 2HB ABA 12 6.029 -5.691 -0.850 95 HG1 ABA 12 3HG ABA 12 3.130 -5.373 -0.129 96 HG3 ABA 12 1HG ABA 12 3.815 -6.638 -1.146 97 HG2 ABA 12 2HG ABA 12 3.856 -4.960 -1.681 98 H ARG 13 H ARG 13 3.905 -2.113 0.133 99 HA ARG 13 HA ARG 13 2.692 -2.556 2.757 100 HB2 ARG 13 2HB ARG 13 3.914 -0.429 2.610 101 HB3 ARG 13 1HB ARG 13 3.009 0.006 1.170 102 HG2 ARG 13 2HG ARG 13 0.957 0.118 2.455 103 HG3 ARG 13 1HG ARG 13 1.813 -0.400 3.907 104 HD2 ARG 13 2HD ARG 13 2.352 2.129 2.346 105 HD3 ARG 13 1HD ARG 13 1.464 2.033 3.864 106 HE ARG 13 HE ARG 13 3.872 0.863 4.381 107 HH11 ARG 13 1HH1 ARG 13 2.830 4.055 3.262 108 HH12 ARG 13 2HH1 ARG 13 4.143 4.891 3.916 109 HH21 ARG 13 1HH2 ARG 13 5.734 2.048 5.324 110 HH22 ARG 13 2HH2 ARG 13 5.807 3.727 5.118 111 H ABA 14 H ABA 14 0.959 -3.751 2.287 112 HA ABA 14 HA ABA 14 -0.712 -2.988 0.023 113 HB3 ABA 14 1HB ABA 14 -0.859 -5.441 1.802 114 HB2 ABA 14 2HB ABA 14 -0.055 -5.382 0.237 115 HG1 ABA 14 3HG ABA 14 -2.233 -6.432 0.062 116 HG3 ABA 14 1HG ABA 14 -2.185 -4.929 -0.852 117 HG2 ABA 14 2HG ABA 14 -3.004 -4.979 0.704 118 H VAL 15 H VAL 15 -2.015 -1.426 0.575 119 HA VAL 15 HA VAL 15 -3.197 -1.362 3.256 120 HB VAL 15 HB VAL 15 -3.343 0.739 1.072 121 HG11 VAL 15 1HG1 VAL 15 -5.195 0.914 2.622 122 HG12 VAL 15 2HG1 VAL 15 -4.077 2.254 2.873 123 HG13 VAL 15 3HG1 VAL 15 -4.088 0.891 3.993 124 HG21 VAL 15 3HG2 VAL 15 -1.051 0.461 1.814 125 HG22 VAL 15 1HG2 VAL 15 -1.550 0.619 3.496 126 HG23 VAL 15 2HG2 VAL 15 -1.697 1.995 2.409 127 H CYS 16 H CYS 16 -5.107 -2.322 3.468 128 HA CYS 16 HA CYS 16 -6.886 -2.414 1.148 129 HB2 CYS 16 2HB CYS 16 -6.821 -4.166 3.608 130 HB3 CYS 16 1HB CYS 16 -8.029 -4.279 2.330 131 H ARG 17 H ARG 17 -8.297 -0.918 1.118 132 HA ARG 17 HA ARG 17 -9.723 -0.174 3.572 133 HB2 ARG 17 2HB ARG 17 -7.977 1.506 3.154 134 HB3 ARG 17 1HB ARG 17 -8.552 1.697 1.506 135 HG2 ARG 17 2HG ARG 17 -10.714 2.504 2.412 136 HG3 ARG 17 1HG ARG 17 -10.017 2.430 4.030 137 HD2 ARG 17 2HD ARG 17 -9.004 4.082 1.727 138 HD3 ARG 17 1HD ARG 17 -9.893 4.683 3.125 139 HE ARG 17 HE ARG 17 -7.680 3.382 4.122 140 HH11 ARG 17 1HH1 ARG 17 -8.298 6.185 2.051 141 HH12 ARG 17 2HH1 ARG 17 -6.872 6.997 2.507 142 HH21 ARG 17 1HH2 ARG 17 -5.715 4.522 4.726 143 HH22 ARG 17 2HH2 ARG 17 -5.388 6.046 4.028 144 H ARG 18 H ARG 18 -11.830 -0.468 3.175 145 HA ARG 18 HA ARG 18 -13.868 -0.514 2.187 146 HB2 ARG 18 2HB ARG 18 -13.364 1.865 1.649 147 HB3 ARG 18 1HB ARG 18 -12.572 1.364 0.170 148 HG2 ARG 18 2HG ARG 18 -14.687 0.650 -0.763 149 HG3 ARG 18 1HG ARG 18 -15.506 1.001 0.760 150 HD2 ARG 18 2HD ARG 18 -15.834 2.779 -0.906 151 HD3 ARG 18 1HD ARG 18 -14.995 3.351 0.530 152 HE ARG 18 HE ARG 18 -13.412 2.569 -1.791 153 HH11 ARG 18 1HH1 ARG 18 -14.756 5.176 0.195 154 HH12 ARG 18 2HH1 ARG 18 -13.697 6.363 -0.387 155 HH21 ARG 18 1HH2 ARG 18 -11.948 4.266 -2.621 156 HH22 ARG 18 2HH2 ARG 18 -12.079 5.848 -2.003 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -11.786 -2.293 1.253 2 HA2 GLY 1 2HA GLY 1 -12.070 -4.332 0.141 3 HA3 GLY 1 1HA GLY 1 -13.105 -3.520 -1.022 4 H VAL 2 H VAL 2 -10.488 -1.613 -0.801 5 HA VAL 2 HA VAL 2 -9.296 -2.874 -3.158 6 HB VAL 2 HB VAL 2 -9.077 0.013 -2.275 7 HG11 VAL 2 1HG1 VAL 2 -7.218 -0.708 -3.670 8 HG12 VAL 2 2HG1 VAL 2 -8.250 0.425 -4.545 9 HG13 VAL 2 3HG1 VAL 2 -8.345 -1.300 -4.891 10 HG21 VAL 2 3HG2 VAL 2 -11.388 -0.491 -2.848 11 HG22 VAL 2 1HG2 VAL 2 -10.874 -1.185 -4.385 12 HG23 VAL 2 2HG2 VAL 2 -10.660 0.539 -4.081 13 H CYS 3 H CYS 3 -7.618 -4.051 -2.528 14 HA CYS 3 HA CYS 3 -5.816 -3.023 -0.490 15 HB2 CYS 3 2HB CYS 3 -5.933 -5.708 -1.876 16 HB3 CYS 3 1HB CYS 3 -4.679 -5.251 -0.730 17 H ARG 4 H ARG 4 -4.430 -1.636 -1.165 18 HA ARG 4 HA ARG 4 -3.259 -2.006 -3.804 19 HB2 ARG 4 2HB ARG 4 -4.340 0.154 -3.445 20 HB3 ARG 4 1HB ARG 4 -3.366 0.422 -2.011 21 HG2 ARG 4 2HG ARG 4 -2.422 1.766 -3.690 22 HG3 ARG 4 1HG ARG 4 -1.348 0.388 -3.521 23 HD2 ARG 4 2HD ARG 4 -3.459 0.665 -5.670 24 HD3 ARG 4 1HD ARG 4 -1.770 1.103 -5.866 25 HE ARG 4 HE ARG 4 -2.389 -1.666 -5.152 26 HH11 ARG 4 1HH1 ARG 4 -1.307 0.635 -7.622 27 HH12 ARG 4 2HH1 ARG 4 -0.848 -0.570 -8.731 28 HH21 ARG 4 1HH2 ARG 4 -1.702 -3.321 -6.652 29 HH22 ARG 4 2HH2 ARG 4 -1.040 -2.875 -8.144 30 H ABA 5 H ABA 5 -1.423 -3.160 -3.641 31 HA ABA 5 HA ABA 5 0.275 -2.991 -1.338 32 HB3 ABA 5 1HB ABA 5 0.648 -4.405 -3.989 33 HB2 ABA 5 2HB ABA 5 -0.046 -5.131 -2.543 34 HG1 ABA 5 3HG ABA 5 2.269 -5.813 -2.845 35 HG3 ABA 5 1HG ABA 5 2.074 -4.856 -1.374 36 HG2 ABA 5 2HG ABA 5 2.775 -4.123 -2.816 37 H VAL 6 H VAL 6 1.190 -1.078 -1.141 38 HA VAL 6 HA VAL 6 2.392 0.213 -3.458 39 HB VAL 6 HB VAL 6 2.463 1.130 -0.597 40 HG11 VAL 6 1HG1 VAL 6 3.999 2.289 -2.034 41 HG12 VAL 6 2HG1 VAL 6 2.710 3.384 -1.538 42 HG13 VAL 6 3HG1 VAL 6 2.700 2.689 -3.159 43 HG21 VAL 6 3HG2 VAL 6 0.112 0.806 -1.145 44 HG22 VAL 6 1HG2 VAL 6 0.299 1.779 -2.604 45 HG23 VAL 6 2HG2 VAL 6 0.468 2.526 -1.012 46 H ABA 7 H ABA 7 4.604 0.433 -3.584 47 HA ABA 7 HA ABA 7 6.145 -1.376 -1.970 48 HB3 ABA 7 1HB ABA 7 7.882 -0.848 -3.636 49 HB2 ABA 7 2HB ABA 7 6.762 0.235 -4.447 50 HG1 ABA 7 3HG ABA 7 6.886 -1.905 -5.596 51 HG3 ABA 7 1HG ABA 7 5.277 -1.640 -4.927 52 HG2 ABA 7 2HG ABA 7 6.400 -2.736 -4.120 53 H ARG 8 H ARG 8 6.827 -0.511 -0.126 54 HA ARG 8 HA ARG 8 7.456 2.346 0.034 55 HB2 ARG 8 2HB ARG 8 6.142 0.745 1.801 56 HB3 ARG 8 1HB ARG 8 7.784 0.501 2.369 57 HG2 ARG 8 2HG ARG 8 6.389 3.172 2.152 58 HG3 ARG 8 1HG ARG 8 6.590 2.245 3.628 59 HD2 ARG 8 2HD ARG 8 8.867 3.291 1.957 60 HD3 ARG 8 1HD ARG 8 8.188 4.149 3.342 61 HE ARG 8 HE ARG 8 9.181 1.447 3.766 62 HH11 ARG 8 1HH1 ARG 8 9.775 4.927 4.124 63 HH12 ARG 8 2HH1 ARG 8 11.019 4.730 5.267 64 HH21 ARG 8 1HH2 ARG 8 10.952 1.212 5.288 65 HH22 ARG 8 2HH2 ARG 8 11.707 2.589 5.940 66 H ARG 9 H ARG 9 9.188 1.985 -1.422 67 HA ARG 9 HA ARG 9 11.257 1.604 -2.123 68 HB2 ARG 9 2HB ARG 9 11.739 3.016 -0.066 69 HB3 ARG 9 1HB ARG 9 12.072 1.517 0.796 70 HG2 ARG 9 2HG ARG 9 13.837 1.000 -0.838 71 HG3 ARG 9 1HG ARG 9 13.530 2.545 -1.626 72 HD2 ARG 9 2HD ARG 9 14.115 3.696 0.462 73 HD3 ARG 9 1HD ARG 9 14.445 2.128 1.203 74 HE ARG 9 HE ARG 9 15.875 2.704 -1.231 75 HH11 ARG 9 1HH1 ARG 9 15.980 2.666 2.298 76 HH12 ARG 9 2HH1 ARG 9 17.676 2.728 2.404 77 HH21 ARG 9 1HH2 ARG 9 18.154 2.826 -1.115 78 HH22 ARG 9 2HH2 ARG 9 18.976 2.832 0.391 79 H GLY 10 H GLY 10 9.905 -0.506 -2.397 80 HA2 GLY 10 2HA GLY 10 10.556 -2.688 -3.061 81 HA3 GLY 10 1HA GLY 10 11.795 -2.663 -1.817 82 H VAL 11 H VAL 11 10.072 -1.857 0.309 83 HA VAL 11 HA VAL 11 9.115 -4.463 1.033 84 HB VAL 11 HB VAL 11 9.044 -1.819 2.537 85 HG11 VAL 11 1HG1 VAL 11 8.468 -3.094 4.540 86 HG12 VAL 11 2HG1 VAL 11 8.431 -4.582 3.606 87 HG13 VAL 11 3HG1 VAL 11 7.225 -3.327 3.307 88 HG21 VAL 11 3HG2 VAL 11 10.790 -4.257 2.832 89 HG22 VAL 11 1HG2 VAL 11 10.835 -2.832 3.868 90 HG23 VAL 11 2HG2 VAL 11 11.275 -2.697 2.165 91 H ABA 12 H ABA 12 7.116 -5.180 1.082 92 HA ABA 12 HA ABA 12 5.131 -3.806 -0.426 93 HB3 ABA 12 1HB ABA 12 3.710 -5.776 0.069 94 HB2 ABA 12 2HB ABA 12 4.946 -6.366 1.173 95 HG1 ABA 12 3HG ABA 12 5.052 -7.513 -0.965 96 HG3 ABA 12 1HG ABA 12 6.518 -6.578 -0.667 97 HG2 ABA 12 2HG ABA 12 5.299 -5.970 -1.785 98 H ARG 13 H ARG 13 3.849 -2.313 0.318 99 HA ARG 13 HA ARG 13 2.926 -2.415 3.103 100 HB2 ARG 13 2HB ARG 13 4.403 -0.453 2.457 101 HB3 ARG 13 1HB ARG 13 3.188 0.005 1.278 102 HG2 ARG 13 2HG ARG 13 2.950 1.391 3.217 103 HG3 ARG 13 1HG ARG 13 1.568 0.294 3.154 104 HD2 ARG 13 2HD ARG 13 2.579 -1.134 4.816 105 HD3 ARG 13 1HD ARG 13 4.043 -0.151 4.823 106 HE ARG 13 HE ARG 13 1.622 1.266 5.476 107 HH11 ARG 13 1HH1 ARG 13 4.353 -0.574 6.797 108 HH12 ARG 13 2HH1 ARG 13 4.189 0.060 8.364 109 HH21 ARG 13 1HH2 ARG 13 1.435 2.153 7.672 110 HH22 ARG 13 2HH2 ARG 13 2.534 1.626 8.875 111 H ABA 14 H ABA 14 1.157 -3.718 2.532 112 HA ABA 14 HA ABA 14 -0.546 -2.882 0.334 113 HB3 ABA 14 1HB ABA 14 -0.775 -5.268 2.162 114 HB2 ABA 14 2HB ABA 14 0.015 -5.283 0.590 115 HG1 ABA 14 3HG ABA 14 -2.108 -4.764 -0.489 116 HG3 ABA 14 1HG ABA 14 -2.901 -4.735 1.087 117 HG2 ABA 14 2HG ABA 14 -2.209 -6.238 0.477 118 H VAL 15 H VAL 15 -1.801 -1.310 0.739 119 HA VAL 15 HA VAL 15 -3.104 -1.160 3.319 120 HB VAL 15 HB VAL 15 -3.862 1.121 2.593 121 HG11 VAL 15 1HG1 VAL 15 -0.891 0.655 2.398 122 HG12 VAL 15 2HG1 VAL 15 -1.810 0.820 3.886 123 HG13 VAL 15 3HG1 VAL 15 -1.670 2.191 2.783 124 HG21 VAL 15 3HG2 VAL 15 -2.100 0.593 0.190 125 HG22 VAL 15 1HG2 VAL 15 -2.814 2.153 0.608 126 HG23 VAL 15 2HG2 VAL 15 -3.852 0.797 0.168 127 H CYS 16 H CYS 16 -4.965 -2.092 3.558 128 HA CYS 16 HA CYS 16 -6.674 -2.464 1.222 129 HB2 CYS 16 2HB CYS 16 -6.599 -3.915 3.876 130 HB3 CYS 16 1HB CYS 16 -7.822 -4.189 2.641 131 H ARG 17 H ARG 17 -8.076 -0.949 1.014 132 HA ARG 17 HA ARG 17 -9.660 -0.181 3.316 133 HB2 ARG 17 2HB ARG 17 -7.899 1.496 3.238 134 HB3 ARG 17 1HB ARG 17 -8.188 1.777 1.531 135 HG2 ARG 17 2HG ARG 17 -10.383 2.697 2.045 136 HG3 ARG 17 1HG ARG 17 -10.132 2.361 3.760 137 HD2 ARG 17 2HD ARG 17 -9.681 4.703 3.292 138 HD3 ARG 17 1HD ARG 17 -8.202 3.873 3.759 139 HE ARG 17 HE ARG 17 -8.692 4.075 0.920 140 HH11 ARG 17 1HH1 ARG 17 -7.031 5.451 3.747 141 HH12 ARG 17 2HH1 ARG 17 -5.947 6.396 2.841 142 HH21 ARG 17 1HH2 ARG 17 -7.177 5.415 -0.329 143 HH22 ARG 17 2HH2 ARG 17 -6.043 6.382 0.482 144 H ARG 18 H ARG 18 -11.723 -0.158 2.795 145 HA ARG 18 HA ARG 18 -13.685 -0.151 1.664 146 HB2 ARG 18 2HB ARG 18 -12.772 2.142 0.984 147 HB3 ARG 18 1HB ARG 18 -12.244 1.395 -0.509 148 HG2 ARG 18 2HG ARG 18 -14.597 0.828 -1.018 149 HG3 ARG 18 1HG ARG 18 -15.089 1.692 0.441 150 HD2 ARG 18 2HD ARG 18 -14.007 3.728 -0.456 151 HD3 ARG 18 1HD ARG 18 -13.637 2.835 -1.931 152 HE ARG 18 HE ARG 18 -16.411 3.039 -1.070 153 HH11 ARG 18 1HH1 ARG 18 -13.924 3.916 -3.443 154 HH12 ARG 18 2HH1 ARG 18 -15.036 4.609 -4.539 155 HH21 ARG 18 1HH2 ARG 18 -17.900 3.999 -2.571 156 HH22 ARG 18 2HH2 ARG 18 -17.325 4.650 -4.040 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -11.577 -2.624 1.982 2 HA2 GLY 1 2HA GLY 1 -11.705 -4.684 0.871 3 HA3 GLY 1 1HA GLY 1 -12.986 -4.037 -0.144 4 H VAL 2 H VAL 2 -11.162 -1.595 -0.593 5 HA VAL 2 HA VAL 2 -9.907 -2.760 -2.926 6 HB VAL 2 HB VAL 2 -10.154 0.142 -2.049 7 HG11 VAL 2 1HG1 VAL 2 -9.375 0.730 -4.291 8 HG12 VAL 2 2HG1 VAL 2 -9.145 -0.976 -4.664 9 HG13 VAL 2 3HG1 VAL 2 -8.151 -0.202 -3.430 10 HG21 VAL 2 3HG2 VAL 2 -12.266 -0.894 -2.680 11 HG22 VAL 2 1HG2 VAL 2 -11.566 -1.409 -4.213 12 HG23 VAL 2 2HG2 VAL 2 -11.772 0.310 -3.872 13 H CYS 3 H CYS 3 -7.962 -3.526 -2.810 14 HA CYS 3 HA CYS 3 -6.112 -2.459 -0.796 15 HB2 CYS 3 2HB CYS 3 -6.265 -5.216 -2.001 16 HB3 CYS 3 1HB CYS 3 -5.047 -4.683 -0.855 17 H ARG 4 H ARG 4 -4.494 -1.348 -1.556 18 HA ARG 4 HA ARG 4 -3.465 -1.902 -4.256 19 HB2 ARG 4 2HB ARG 4 -4.146 0.430 -4.070 20 HB3 ARG 4 1HB ARG 4 -3.285 0.606 -2.547 21 HG2 ARG 4 2HG ARG 4 -1.151 0.204 -3.763 22 HG3 ARG 4 1HG ARG 4 -2.065 0.165 -5.263 23 HD2 ARG 4 2HD ARG 4 -2.128 2.532 -3.420 24 HD3 ARG 4 1HD ARG 4 -0.875 2.329 -4.641 25 HE ARG 4 HE ARG 4 -3.700 2.320 -5.423 26 HH11 ARG 4 1HH1 ARG 4 -0.468 3.858 -5.546 27 HH12 ARG 4 2HH1 ARG 4 -0.910 4.919 -6.791 28 HH21 ARG 4 1HH2 ARG 4 -4.238 3.849 -7.133 29 HH22 ARG 4 2HH2 ARG 4 -3.044 4.924 -7.719 30 H ABA 5 H ABA 5 -1.394 -2.613 -4.446 31 HA ABA 5 HA ABA 5 0.073 -3.080 -1.975 32 HB3 ABA 5 1HB ABA 5 0.566 -4.101 -4.783 33 HB2 ABA 5 2HB ABA 5 -0.254 -4.994 -3.506 34 HG1 ABA 5 3HG ABA 5 2.617 -4.106 -3.467 35 HG3 ABA 5 1HG ABA 5 2.039 -5.747 -3.747 36 HG2 ABA 5 2HG ABA 5 1.795 -4.984 -2.178 37 H VAL 6 H VAL 6 1.328 -1.469 -1.424 38 HA VAL 6 HA VAL 6 2.603 0.090 -3.529 39 HB VAL 6 HB VAL 6 3.060 1.814 -1.774 40 HG11 VAL 6 1HG1 VAL 6 0.779 2.654 -1.598 41 HG12 VAL 6 2HG1 VAL 6 0.158 1.070 -2.062 42 HG13 VAL 6 3HG1 VAL 6 1.105 2.016 -3.212 43 HG21 VAL 6 3HG2 VAL 6 3.023 0.382 0.204 44 HG22 VAL 6 1HG2 VAL 6 1.301 0.082 -0.031 45 HG23 VAL 6 2HG2 VAL 6 1.866 1.703 0.372 46 H ABA 7 H ABA 7 4.697 0.052 -3.797 47 HA ABA 7 HA ABA 7 6.292 -1.515 -1.918 48 HB3 ABA 7 1HB ABA 7 6.942 -0.595 -4.739 49 HB2 ABA 7 2HB ABA 7 6.377 -2.202 -4.305 50 HG1 ABA 7 3HG ABA 7 8.977 -0.967 -3.430 51 HG3 ABA 7 1HG ABA 7 8.773 -2.187 -4.687 52 HG2 ABA 7 2HG ABA 7 8.408 -2.580 -3.005 53 H ARG 8 H ARG 8 6.900 -0.181 -0.373 54 HA ARG 8 HA ARG 8 7.771 2.505 -1.082 55 HB2 ARG 8 2HB ARG 8 7.042 1.306 1.597 56 HB3 ARG 8 1HB ARG 8 7.613 2.957 1.367 57 HG2 ARG 8 2HG ARG 8 5.687 3.469 -0.006 58 HG3 ARG 8 1HG ARG 8 5.141 1.798 0.099 59 HD2 ARG 8 2HD ARG 8 4.823 2.042 2.498 60 HD3 ARG 8 1HD ARG 8 5.416 3.706 2.423 61 HE ARG 8 HE ARG 8 3.426 3.788 0.672 62 HH11 ARG 8 1HH1 ARG 8 3.404 2.325 3.921 63 HH12 ARG 8 2HH1 ARG 8 1.780 2.728 4.192 64 HH21 ARG 8 1HH2 ARG 8 1.192 4.247 1.080 65 HH22 ARG 8 2HH2 ARG 8 0.482 3.804 2.568 66 H ARG 9 H ARG 9 9.586 1.521 -2.037 67 HA ARG 9 HA ARG 9 11.752 0.947 -2.226 68 HB2 ARG 9 2HB ARG 9 11.885 3.194 -1.190 69 HB3 ARG 9 1HB ARG 9 11.996 2.430 0.388 70 HG2 ARG 9 2HG ARG 9 14.119 1.414 -0.239 71 HG3 ARG 9 1HG ARG 9 13.992 2.143 -1.843 72 HD2 ARG 9 2HD ARG 9 13.960 4.363 -0.828 73 HD3 ARG 9 1HD ARG 9 14.086 3.616 0.761 74 HE ARG 9 HE ARG 9 16.227 2.781 -0.849 75 HH11 ARG 9 1HH1 ARG 9 15.034 5.637 0.851 76 HH12 ARG 9 2HH1 ARG 9 16.564 6.299 1.133 77 HH21 ARG 9 1HH2 ARG 9 18.337 3.686 -0.492 78 HH22 ARG 9 2HH2 ARG 9 18.510 5.168 0.328 79 H GLY 10 H GLY 10 10.896 -1.264 -1.795 80 HA2 GLY 10 2HA GLY 10 11.821 -3.319 -1.119 81 HA3 GLY 10 1HA GLY 10 12.591 -2.492 0.232 82 H VAL 11 H VAL 11 10.048 -1.142 0.902 83 HA VAL 11 HA VAL 11 8.941 -3.310 2.471 84 HB VAL 11 HB VAL 11 8.237 -0.355 2.516 85 HG11 VAL 11 1HG1 VAL 11 7.227 -0.825 4.705 86 HG12 VAL 11 2HG1 VAL 11 7.602 -2.537 4.509 87 HG13 VAL 11 3HG1 VAL 11 6.450 -1.762 3.424 88 HG21 VAL 11 3HG2 VAL 11 9.617 -0.236 4.548 89 HG22 VAL 11 1HG2 VAL 11 10.568 -0.694 3.135 90 HG23 VAL 11 2HG2 VAL 11 10.090 -1.917 4.317 91 H ABA 12 H ABA 12 7.664 -4.514 1.191 92 HA ABA 12 HA ABA 12 5.771 -3.283 -0.624 93 HB3 ABA 12 1HB ABA 12 6.260 -6.195 0.084 94 HB2 ABA 12 2HB ABA 12 7.006 -5.354 -1.267 95 HG1 ABA 12 3HG ABA 12 4.825 -5.047 -2.294 96 HG3 ABA 12 1HG ABA 12 4.067 -5.884 -0.939 97 HG2 ABA 12 2HG ABA 12 5.169 -6.753 -2.004 98 H ARG 13 H ARG 13 3.854 -2.634 0.149 99 HA ARG 13 HA ARG 13 2.724 -4.129 2.400 100 HB2 ARG 13 2HB ARG 13 3.831 -2.068 3.208 101 HB3 ARG 13 1HB ARG 13 2.788 -1.121 2.159 102 HG2 ARG 13 2HG ARG 13 1.955 -1.037 4.412 103 HG3 ARG 13 1HG ARG 13 0.832 -1.951 3.406 104 HD2 ARG 13 2HD ARG 13 1.189 -3.034 5.591 105 HD3 ARG 13 1HD ARG 13 1.731 -4.045 4.262 106 HE ARG 13 HE ARG 13 3.966 -3.612 4.844 107 HH11 ARG 13 1HH1 ARG 13 1.684 -2.212 7.181 108 HH12 ARG 13 2HH1 ARG 13 2.862 -2.051 8.404 109 HH21 ARG 13 1HH2 ARG 13 5.532 -3.387 6.563 110 HH22 ARG 13 2HH2 ARG 13 5.022 -2.709 8.064 111 H ABA 14 H ABA 14 0.647 -4.651 2.080 112 HA ABA 14 HA ABA 14 -0.733 -3.403 -0.154 113 HB3 ABA 14 1HB ABA 14 -1.465 -5.840 1.488 114 HB2 ABA 14 2HB ABA 14 -0.644 -5.881 -0.069 115 HG1 ABA 14 3HG ABA 14 -2.994 -6.398 -0.326 116 HG3 ABA 14 1HG ABA 14 -2.606 -4.875 -1.128 117 HG2 ABA 14 2HG ABA 14 -3.417 -4.867 0.440 118 H VAL 15 H VAL 15 -1.846 -1.678 0.348 119 HA VAL 15 HA VAL 15 -3.005 -1.478 3.021 120 HB VAL 15 HB VAL 15 -3.299 0.965 2.554 121 HG11 VAL 15 1HG1 VAL 15 -1.316 0.199 3.728 122 HG12 VAL 15 2HG1 VAL 15 -0.926 1.583 2.699 123 HG13 VAL 15 3HG1 VAL 15 -0.479 -0.044 2.195 124 HG21 VAL 15 3HG2 VAL 15 -2.159 1.991 0.623 125 HG22 VAL 15 1HG2 VAL 15 -3.440 0.895 0.107 126 HG23 VAL 15 2HG2 VAL 15 -1.754 0.389 0.009 127 H CYS 16 H CYS 16 -5.139 -1.459 3.335 128 HA CYS 16 HA CYS 16 -6.786 -1.686 0.920 129 HB2 CYS 16 2HB CYS 16 -7.154 -3.103 3.559 130 HB3 CYS 16 1HB CYS 16 -8.193 -3.243 2.146 131 H ARG 17 H ARG 17 -8.594 -0.574 0.799 132 HA ARG 17 HA ARG 17 -9.688 0.659 3.180 133 HB2 ARG 17 2HB ARG 17 -10.059 2.798 1.959 134 HB3 ARG 17 1HB ARG 17 -8.365 2.443 2.216 135 HG2 ARG 17 2HG ARG 17 -8.183 1.685 -0.116 136 HG3 ARG 17 1HG ARG 17 -9.886 2.075 -0.357 137 HD2 ARG 17 2HD ARG 17 -9.411 4.408 0.245 138 HD3 ARG 17 1HD ARG 17 -7.702 4.003 0.400 139 HE ARG 17 HE ARG 17 -8.694 3.252 -2.124 140 HH11 ARG 17 1HH1 ARG 17 -7.793 6.133 -0.289 141 HH12 ARG 17 2HH1 ARG 17 -7.390 7.059 -1.661 142 HH21 ARG 17 1HH2 ARG 17 -8.166 4.502 -3.995 143 HH22 ARG 17 2HH2 ARG 17 -7.622 6.107 -3.836 144 H ARG 18 H ARG 18 -11.543 -0.229 3.351 145 HA ARG 18 HA ARG 18 -13.565 -1.125 2.994 146 HB2 ARG 18 2HB ARG 18 -13.964 1.299 2.353 147 HB3 ARG 18 1HB ARG 18 -13.769 0.816 0.675 148 HG2 ARG 18 2HG ARG 18 -15.707 -0.645 0.856 149 HG3 ARG 18 1HG ARG 18 -15.885 -0.214 2.556 150 HD2 ARG 18 2HD ARG 18 -17.450 1.070 1.287 151 HD3 ARG 18 1HD ARG 18 -16.177 2.143 1.858 152 HE ARG 18 HE ARG 18 -15.610 1.173 -0.733 153 HH11 ARG 18 1HH1 ARG 18 -17.549 3.606 0.982 154 HH12 ARG 18 2HH1 ARG 18 -17.840 4.554 -0.399 155 HH21 ARG 18 1HH2 ARG 18 -16.004 2.482 -2.610 156 HH22 ARG 18 2HH2 ARG 18 -16.903 3.925 -2.495 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -12.071 -3.215 1.276 2 HA2 GLY 1 2HA GLY 1 -12.341 -4.745 -0.423 3 HA3 GLY 1 1HA GLY 1 -13.538 -3.693 -1.144 4 H VAL 2 H VAL 2 -10.653 -1.993 -0.545 5 HA VAL 2 HA VAL 2 -9.688 -2.636 -3.240 6 HB VAL 2 HB VAL 2 -9.607 0.111 -1.944 7 HG11 VAL 2 1HG1 VAL 2 -8.820 0.898 -4.126 8 HG12 VAL 2 2HG1 VAL 2 -8.823 -0.758 -4.724 9 HG13 VAL 2 3HG1 VAL 2 -7.720 -0.294 -3.430 10 HG21 VAL 2 3HG2 VAL 2 -11.327 -0.879 -4.221 11 HG22 VAL 2 1HG2 VAL 2 -11.224 0.793 -3.667 12 HG23 VAL 2 2HG2 VAL 2 -11.887 -0.453 -2.609 13 H CYS 3 H CYS 3 -7.814 -3.644 -3.042 14 HA CYS 3 HA CYS 3 -6.006 -2.964 -0.854 15 HB2 CYS 3 2HB CYS 3 -5.895 -5.197 -2.888 16 HB3 CYS 3 1HB CYS 3 -4.680 -4.916 -1.646 17 H ARG 4 H ARG 4 -4.730 -1.385 -1.105 18 HA ARG 4 HA ARG 4 -3.561 -0.941 -3.749 19 HB2 ARG 4 2HB ARG 4 -3.931 0.955 -1.422 20 HB3 ARG 4 1HB ARG 4 -3.026 1.352 -2.877 21 HG2 ARG 4 2HG ARG 4 -5.038 0.993 -4.227 22 HG3 ARG 4 1HG ARG 4 -5.930 0.606 -2.760 23 HD2 ARG 4 2HD ARG 4 -5.650 2.837 -1.931 24 HD3 ARG 4 1HD ARG 4 -4.570 3.243 -3.272 25 HE ARG 4 HE ARG 4 -6.746 2.455 -4.556 26 HH11 ARG 4 1HH1 ARG 4 -6.394 4.816 -1.910 27 HH12 ARG 4 2HH1 ARG 4 -7.715 5.745 -2.426 28 HH21 ARG 4 1HH2 ARG 4 -8.561 3.770 -5.219 29 HH22 ARG 4 2HH2 ARG 4 -8.965 5.149 -4.300 30 H ABA 5 H ABA 5 -1.719 -1.853 -3.959 31 HA ABA 5 HA ABA 5 0.030 -2.297 -1.684 32 HB3 ABA 5 1HB ABA 5 0.199 -3.237 -4.552 33 HB2 ABA 5 2HB ABA 5 -0.439 -4.170 -3.207 34 HG1 ABA 5 3HG ABA 5 2.413 -3.248 -3.488 35 HG3 ABA 5 1HG ABA 5 1.814 -4.879 -3.784 36 HG2 ABA 5 2HG ABA 5 1.755 -4.203 -2.160 37 H VAL 6 H VAL 6 1.146 -0.491 -1.215 38 HA VAL 6 HA VAL 6 2.570 0.822 -3.424 39 HB VAL 6 HB VAL 6 2.570 1.671 -0.570 40 HG11 VAL 6 1HG1 VAL 6 3.069 3.215 -3.088 41 HG12 VAL 6 2HG1 VAL 6 4.263 2.689 -1.903 42 HG13 VAL 6 3HG1 VAL 6 3.066 3.912 -1.472 43 HG21 VAL 6 3HG2 VAL 6 0.537 2.573 -2.616 44 HG22 VAL 6 1HG2 VAL 6 0.742 3.296 -1.019 45 HG23 VAL 6 2HG2 VAL 6 0.203 1.623 -1.165 46 H ABA 7 H ABA 7 4.681 0.500 -3.482 47 HA ABA 7 HA ABA 7 5.977 -0.830 -1.223 48 HB3 ABA 7 1HB ABA 7 6.250 -1.799 -4.074 49 HB2 ABA 7 2HB ABA 7 5.260 -2.580 -2.846 50 HG1 ABA 7 3HG ABA 7 7.234 -3.076 -1.530 51 HG3 ABA 7 1HG ABA 7 8.241 -2.228 -2.703 52 HG2 ABA 7 2HG ABA 7 7.406 -3.709 -3.168 53 H ARG 8 H ARG 8 7.705 0.268 -0.669 54 HA ARG 8 HA ARG 8 9.151 1.688 -2.788 55 HB2 ARG 8 2HB ARG 8 8.826 2.609 0.074 56 HB3 ARG 8 1HB ARG 8 9.760 3.414 -1.165 57 HG2 ARG 8 2HG ARG 8 6.765 3.153 -0.976 58 HG3 ARG 8 1HG ARG 8 7.731 4.621 -0.896 59 HD2 ARG 8 2HD ARG 8 7.257 2.864 -3.306 60 HD3 ARG 8 1HD ARG 8 6.654 4.494 -3.049 61 HE ARG 8 HE ARG 8 9.438 4.611 -2.955 62 HH11 ARG 8 1HH1 ARG 8 6.897 3.896 -5.341 63 HH12 ARG 8 2HH1 ARG 8 7.891 4.319 -6.673 64 HH21 ARG 8 1HH2 ARG 8 10.732 5.175 -4.812 65 HH22 ARG 8 2HH2 ARG 8 10.070 5.057 -6.377 66 H ARG 9 H ARG 9 10.669 0.154 -3.121 67 HA ARG 9 HA ARG 9 12.566 -0.970 -2.889 68 HB2 ARG 9 2HB ARG 9 13.424 1.270 -2.273 69 HB3 ARG 9 1HB ARG 9 13.068 0.934 -0.589 70 HG2 ARG 9 2HG ARG 9 14.690 -0.921 -0.653 71 HG3 ARG 9 1HG ARG 9 15.088 -0.486 -2.312 72 HD2 ARG 9 2HD ARG 9 16.710 0.440 -0.770 73 HD3 ARG 9 1HD ARG 9 15.795 1.733 -1.548 74 HE ARG 9 HE ARG 9 14.403 1.548 0.618 75 HH11 ARG 9 1HH1 ARG 9 17.922 1.228 0.406 76 HH12 ARG 9 2HH1 ARG 9 18.199 1.848 1.978 77 HH21 ARG 9 1HH2 ARG 9 14.811 2.406 2.780 78 HH22 ARG 9 2HH2 ARG 9 16.404 2.549 3.322 79 H GLY 10 H GLY 10 10.907 -2.611 -2.174 80 HA2 GLY 10 2HA GLY 10 10.919 -4.652 -1.056 81 HA3 GLY 10 1HA GLY 10 12.088 -3.992 0.078 82 H VAL 11 H VAL 11 10.371 -1.655 0.621 83 HA VAL 11 HA VAL 11 8.838 -2.841 2.745 84 HB VAL 11 HB VAL 11 8.969 0.067 1.890 85 HG11 VAL 11 1HG1 VAL 11 8.103 -1.170 4.506 86 HG12 VAL 11 2HG1 VAL 11 7.050 -0.401 3.316 87 HG13 VAL 11 3HG1 VAL 11 8.251 0.557 4.183 88 HG21 VAL 11 3HG2 VAL 11 10.632 0.349 3.657 89 HG22 VAL 11 1HG2 VAL 11 11.190 -0.775 2.417 90 HG23 VAL 11 2HG2 VAL 11 10.605 -1.387 3.963 91 H ABA 12 H ABA 12 7.005 -3.785 2.182 92 HA ABA 12 HA ABA 12 5.378 -2.566 0.093 93 HB3 ABA 12 1HB ABA 12 5.245 -5.350 1.274 94 HB2 ABA 12 2HB ABA 12 6.016 -4.925 -0.248 95 HG1 ABA 12 3HG ABA 12 3.083 -4.687 0.376 96 HG3 ABA 12 1HG ABA 12 3.845 -5.904 -0.645 97 HG2 ABA 12 2HG ABA 12 3.846 -4.216 -1.145 98 H ARG 13 H ARG 13 3.810 -1.400 0.743 99 HA ARG 13 HA ARG 13 2.445 -2.004 3.254 100 HB2 ARG 13 2HB ARG 13 3.656 0.147 3.321 101 HB3 ARG 13 1HB ARG 13 2.840 0.655 1.854 102 HG2 ARG 13 2HG ARG 13 0.696 0.618 3.035 103 HG3 ARG 13 1HG ARG 13 1.522 0.114 4.509 104 HD2 ARG 13 2HD ARG 13 2.066 2.671 3.005 105 HD3 ARG 13 1HD ARG 13 1.057 2.553 4.442 106 HE ARG 13 HE ARG 13 3.181 1.602 5.484 107 HH11 ARG 13 1HH1 ARG 13 3.203 4.162 2.983 108 HH12 ARG 13 2HH1 ARG 13 4.622 4.874 3.559 109 HH21 ARG 13 1HH2 ARG 13 5.142 2.641 6.237 110 HH22 ARG 13 2HH2 ARG 13 5.726 4.032 5.450 111 H ABA 14 H ABA 14 1.084 -3.440 2.148 112 HA ABA 14 HA ABA 14 -0.627 -2.270 0.108 113 HB3 ABA 14 1HB ABA 14 -0.553 -5.112 1.161 114 HB2 ABA 14 2HB ABA 14 0.270 -4.560 -0.297 115 HG1 ABA 14 3HG ABA 14 -2.705 -4.596 0.165 116 HG3 ABA 14 1HG ABA 14 -1.793 -5.695 -0.871 117 HG2 ABA 14 2HG ABA 14 -1.908 -3.984 -1.283 118 H VAL 15 H VAL 15 -2.189 -1.162 0.809 119 HA VAL 15 HA VAL 15 -3.417 -1.865 3.374 120 HB VAL 15 HB VAL 15 -3.698 0.705 1.799 121 HG11 VAL 15 1HG1 VAL 15 -4.685 1.601 3.869 122 HG12 VAL 15 2HG1 VAL 15 -4.563 0.003 4.604 123 HG13 VAL 15 3HG1 VAL 15 -5.623 0.254 3.218 124 HG21 VAL 15 3HG2 VAL 15 -1.425 0.464 2.605 125 HG22 VAL 15 1HG2 VAL 15 -2.012 0.103 4.229 126 HG23 VAL 15 2HG2 VAL 15 -2.265 1.705 3.540 127 H CYS 16 H CYS 16 -5.079 -3.150 3.122 128 HA CYS 16 HA CYS 16 -6.884 -2.815 0.866 129 HB2 CYS 16 2HB CYS 16 -6.827 -4.875 3.079 130 HB3 CYS 16 1HB CYS 16 -7.930 -4.863 1.711 131 H ARG 17 H ARG 17 -8.191 -1.256 1.065 132 HA ARG 17 HA ARG 17 -9.589 -0.998 3.613 133 HB2 ARG 17 2HB ARG 17 -7.897 0.811 3.335 134 HB3 ARG 17 1HB ARG 17 -8.693 1.286 1.843 135 HG2 ARG 17 2HG ARG 17 -9.308 2.755 3.693 136 HG3 ARG 17 1HG ARG 17 -10.713 1.866 3.099 137 HD2 ARG 17 2HD ARG 17 -10.638 1.942 5.556 138 HD3 ARG 17 1HD ARG 17 -10.530 0.297 4.944 139 HE ARG 17 HE ARG 17 -8.083 1.745 5.622 140 HH11 ARG 17 1HH1 ARG 17 -10.333 -0.893 6.368 141 HH12 ARG 17 2HH1 ARG 17 -9.287 -1.700 7.422 142 HH21 ARG 17 1HH2 ARG 17 -6.599 0.619 7.098 143 HH22 ARG 17 2HH2 ARG 17 -7.103 -0.800 7.873 144 H ARG 18 H ARG 18 -11.604 -1.360 3.334 145 HA ARG 18 HA ARG 18 -13.675 -1.574 2.541 146 HB2 ARG 18 2HB ARG 18 -13.431 0.914 2.747 147 HB3 ARG 18 1HB ARG 18 -13.070 0.972 1.033 148 HG2 ARG 18 2HG ARG 18 -15.292 0.137 0.508 149 HG3 ARG 18 1HG ARG 18 -15.650 -0.026 2.230 150 HD2 ARG 18 2HD ARG 18 -15.309 2.388 2.509 151 HD3 ARG 18 1HD ARG 18 -15.023 2.535 0.775 152 HE ARG 18 HE ARG 18 -17.399 1.456 0.727 153 HH11 ARG 18 1HH1 ARG 18 -16.212 3.990 2.914 154 HH12 ARG 18 2HH1 ARG 18 -17.705 4.757 3.082 155 HH21 ARG 18 1HH2 ARG 18 -19.524 2.541 0.975 156 HH22 ARG 18 2HH2 ARG 18 -19.629 3.922 1.951 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -11.822 -2.774 1.020 2 HA2 GLY 1 2HA GLY 1 -11.886 -4.531 -0.500 3 HA3 GLY 1 1HA GLY 1 -13.009 -3.605 -1.490 4 H VAL 2 H VAL 2 -10.694 -1.463 -0.834 5 HA VAL 2 HA VAL 2 -9.408 -1.985 -3.394 6 HB VAL 2 HB VAL 2 -9.350 0.527 -1.686 7 HG11 VAL 2 1HG1 VAL 2 -7.403 0.336 -3.133 8 HG12 VAL 2 2HG1 VAL 2 -8.469 1.628 -3.693 9 HG13 VAL 2 3HG1 VAL 2 -8.450 0.077 -4.527 10 HG21 VAL 2 3HG2 VAL 2 -10.906 1.487 -3.334 11 HG22 VAL 2 1HG2 VAL 2 -11.611 0.094 -2.512 12 HG23 VAL 2 2HG2 VAL 2 -10.988 -0.074 -4.156 13 H CYS 3 H CYS 3 -7.655 -3.159 -3.200 14 HA CYS 3 HA CYS 3 -5.965 -2.860 -0.857 15 HB2 CYS 3 2HB CYS 3 -6.017 -4.921 -3.057 16 HB3 CYS 3 1HB CYS 3 -4.786 -4.869 -1.795 17 H ARG 4 H ARG 4 -4.566 -1.382 -0.956 18 HA ARG 4 HA ARG 4 -3.290 -0.707 -3.511 19 HB2 ARG 4 2HB ARG 4 -4.509 1.072 -2.284 20 HB3 ARG 4 1HB ARG 4 -3.439 0.827 -0.920 21 HG2 ARG 4 2HG ARG 4 -1.533 1.521 -2.300 22 HG3 ARG 4 1HG ARG 4 -2.635 1.794 -3.651 23 HD2 ARG 4 2HD ARG 4 -2.661 3.199 -0.989 24 HD3 ARG 4 1HD ARG 4 -2.228 3.908 -2.550 25 HE ARG 4 HE ARG 4 -4.600 3.273 -3.176 26 HH11 ARG 4 1HH1 ARG 4 -3.660 4.396 0.060 27 HH12 ARG 4 2HH1 ARG 4 -5.241 4.888 0.479 28 HH21 ARG 4 1HH2 ARG 4 -6.767 3.917 -2.544 29 HH22 ARG 4 2HH2 ARG 4 -7.053 4.547 -1.005 30 H ABA 5 H ABA 5 -1.463 -1.850 -3.675 31 HA ABA 5 HA ABA 5 0.085 -2.466 -1.319 32 HB3 ABA 5 1HB ABA 5 0.549 -3.162 -4.230 33 HB2 ABA 5 2HB ABA 5 -0.271 -4.188 -3.060 34 HG1 ABA 5 3HG ABA 5 1.780 -4.360 -1.757 35 HG3 ABA 5 1HG ABA 5 2.608 -3.334 -2.928 36 HG2 ABA 5 2HG ABA 5 2.017 -4.917 -3.416 37 H VAL 6 H VAL 6 0.946 -0.585 -0.641 38 HA VAL 6 HA VAL 6 2.381 1.027 -2.535 39 HB VAL 6 HB VAL 6 2.986 2.497 -0.578 40 HG11 VAL 6 1HG1 VAL 6 0.722 3.413 -0.274 41 HG12 VAL 6 2HG1 VAL 6 0.052 1.937 -0.955 42 HG13 VAL 6 3HG1 VAL 6 1.049 2.991 -1.954 43 HG21 VAL 6 3HG2 VAL 6 1.781 2.195 1.555 44 HG22 VAL 6 1HG2 VAL 6 2.864 0.841 1.228 45 HG23 VAL 6 2HG2 VAL 6 1.128 0.668 0.962 46 H ABA 7 H ABA 7 4.134 0.290 -3.244 47 HA ABA 7 HA ABA 7 5.937 -1.121 -1.432 48 HB3 ABA 7 1HB ABA 7 5.589 -1.537 -4.406 49 HB2 ABA 7 2HB ABA 7 4.889 -2.571 -3.166 50 HG1 ABA 7 3HG ABA 7 7.114 -3.175 -2.396 51 HG3 ABA 7 1HG ABA 7 7.819 -2.106 -3.604 52 HG2 ABA 7 2HG ABA 7 6.915 -3.535 -4.109 53 H ARG 8 H ARG 8 7.487 0.140 -0.952 54 HA ARG 8 HA ARG 8 8.650 1.865 -3.014 55 HB2 ARG 8 2HB ARG 8 8.475 2.419 -0.035 56 HB3 ARG 8 1HB ARG 8 9.230 3.453 -1.238 57 HG2 ARG 8 2HG ARG 8 6.294 2.776 -1.105 58 HG3 ARG 8 1HG ARG 8 7.028 4.301 -0.600 59 HD2 ARG 8 2HD ARG 8 7.698 4.785 -2.854 60 HD3 ARG 8 1HD ARG 8 7.227 3.171 -3.375 61 HE ARG 8 HE ARG 8 5.161 4.917 -2.305 62 HH11 ARG 8 1HH1 ARG 8 6.656 3.357 -5.113 63 HH12 ARG 8 2HH1 ARG 8 5.314 3.558 -6.125 64 HH21 ARG 8 1HH2 ARG 8 3.314 5.206 -3.709 65 HH22 ARG 8 2HH2 ARG 8 3.379 4.651 -5.324 66 H ARG 9 H ARG 9 9.933 0.228 -3.575 67 HA ARG 9 HA ARG 9 11.655 -1.187 -3.629 68 HB2 ARG 9 2HB ARG 9 12.679 1.060 -3.886 69 HB3 ARG 9 1HB ARG 9 13.060 1.042 -2.167 70 HG2 ARG 9 2HG ARG 9 14.508 -0.853 -2.456 71 HG3 ARG 9 1HG ARG 9 14.037 -1.002 -4.148 72 HD2 ARG 9 2HD ARG 9 14.976 1.261 -4.538 73 HD3 ARG 9 1HD ARG 9 15.568 1.253 -2.872 74 HE ARG 9 HE ARG 9 16.662 -0.929 -3.645 75 HH11 ARG 9 1HH1 ARG 9 16.337 2.014 -5.581 76 HH12 ARG 9 2HH1 ARG 9 17.690 1.721 -6.550 77 HH21 ARG 9 1HH2 ARG 9 18.524 -1.363 -4.980 78 HH22 ARG 9 2HH2 ARG 9 18.995 -0.273 -6.202 79 H GLY 10 H GLY 10 10.654 -2.702 -2.242 80 HA2 GLY 10 2HA GLY 10 11.316 -4.404 -0.752 81 HA3 GLY 10 1HA GLY 10 12.383 -3.254 0.043 82 H VAL 11 H VAL 11 10.459 -1.182 0.418 83 HA VAL 11 HA VAL 11 9.075 -2.316 2.689 84 HB VAL 11 HB VAL 11 9.126 0.560 1.701 85 HG11 VAL 11 1HG1 VAL 11 8.198 -0.577 4.339 86 HG12 VAL 11 2HG1 VAL 11 7.154 0.033 3.069 87 HG13 VAL 11 3HG1 VAL 11 8.247 1.135 3.909 88 HG21 VAL 11 3HG2 VAL 11 10.721 0.953 3.513 89 HG22 VAL 11 1HG2 VAL 11 11.338 -0.243 2.374 90 HG23 VAL 11 2HG2 VAL 11 10.683 -0.760 3.931 91 H ABA 12 H ABA 12 7.385 -3.475 2.090 92 HA ABA 12 HA ABA 12 5.483 -2.294 0.198 93 HB3 ABA 12 1HB ABA 12 6.101 -5.199 0.759 94 HB2 ABA 12 2HB ABA 12 6.597 -4.304 -0.665 95 HG1 ABA 12 3HG ABA 12 4.294 -4.057 -1.352 96 HG3 ABA 12 1HG ABA 12 3.756 -4.882 0.113 97 HG2 ABA 12 2HG ABA 12 4.699 -5.754 -1.093 98 H ARG 13 H ARG 13 3.528 -1.890 0.972 99 HA ARG 13 HA ARG 13 2.503 -3.442 3.229 100 HB2 ARG 13 2HB ARG 13 3.314 -1.205 4.027 101 HB3 ARG 13 1HB ARG 13 2.210 -0.445 2.895 102 HG2 ARG 13 2HG ARG 13 0.319 -1.537 4.081 103 HG3 ARG 13 1HG ARG 13 1.476 -2.149 5.264 104 HD2 ARG 13 2HD ARG 13 2.152 0.179 5.756 105 HD3 ARG 13 1HD ARG 13 0.923 0.741 4.626 106 HE ARG 13 HE ARG 13 0.023 -0.967 6.779 107 HH11 ARG 13 1HH1 ARG 13 0.360 2.345 5.595 108 HH12 ARG 13 2HH1 ARG 13 -0.772 3.000 6.688 109 HH21 ARG 13 1HH2 ARG 13 -1.530 -0.060 8.295 110 HH22 ARG 13 2HH2 ARG 13 -1.871 1.605 8.235 111 H ABA 14 H ABA 14 0.636 -4.356 2.606 112 HA ABA 14 HA ABA 14 -0.731 -3.235 0.295 113 HB3 ABA 14 1HB ABA 14 -1.073 -5.940 1.613 114 HB2 ABA 14 2HB ABA 14 -0.031 -5.636 0.229 115 HG1 ABA 14 3HG ABA 14 -3.022 -5.315 0.293 116 HG3 ABA 14 1HG ABA 14 -2.118 -6.624 -0.472 117 HG2 ABA 14 2HG ABA 14 -1.979 -4.978 -1.092 118 H VAL 15 H VAL 15 -1.968 -1.678 1.044 119 HA VAL 15 HA VAL 15 -3.467 -2.010 3.516 120 HB VAL 15 HB VAL 15 -3.332 0.362 1.634 121 HG11 VAL 15 1HG1 VAL 15 -5.288 0.395 3.052 122 HG12 VAL 15 2HG1 VAL 15 -4.156 1.662 3.535 123 HG13 VAL 15 3HG1 VAL 15 -4.284 0.182 4.485 124 HG21 VAL 15 3HG2 VAL 15 -1.751 -0.169 4.147 125 HG22 VAL 15 1HG2 VAL 15 -1.750 1.338 3.232 126 HG23 VAL 15 2HG2 VAL 15 -1.120 -0.137 2.498 127 H CYS 16 H CYS 16 -5.324 -3.074 3.301 128 HA CYS 16 HA CYS 16 -6.928 -2.674 0.874 129 HB2 CYS 16 2HB CYS 16 -7.036 -4.906 2.914 130 HB3 CYS 16 1HB CYS 16 -8.128 -4.741 1.548 131 H ARG 17 H ARG 17 -8.266 -1.070 1.152 132 HA ARG 17 HA ARG 17 -9.956 -1.127 3.524 133 HB2 ARG 17 2HB ARG 17 -8.728 1.346 2.293 134 HB3 ARG 17 1HB ARG 17 -9.974 1.366 3.524 135 HG2 ARG 17 2HG ARG 17 -8.416 0.237 5.069 136 HG3 ARG 17 1HG ARG 17 -7.170 0.304 3.825 137 HD2 ARG 17 2HD ARG 17 -6.862 2.150 5.353 138 HD3 ARG 17 1HD ARG 17 -7.405 2.778 3.796 139 HE ARG 17 HE ARG 17 -9.461 2.253 5.743 140 HH11 ARG 17 1HH1 ARG 17 -7.368 4.671 4.284 141 HH12 ARG 17 2HH1 ARG 17 -8.225 6.016 4.873 142 HH21 ARG 17 1HH2 ARG 17 -10.680 4.098 6.573 143 HH22 ARG 17 2HH2 ARG 17 -10.166 5.679 6.240 144 H ARG 18 H ARG 18 -11.986 -1.147 3.010 145 HA ARG 18 HA ARG 18 -13.950 -1.050 1.916 146 HB2 ARG 18 2HB ARG 18 -13.361 1.399 1.874 147 HB3 ARG 18 1HB ARG 18 -12.650 1.163 0.294 148 HG2 ARG 18 2HG ARG 18 -14.834 0.579 -0.616 149 HG3 ARG 18 1HG ARG 18 -15.560 0.790 0.985 150 HD2 ARG 18 2HD ARG 18 -14.881 3.113 1.002 151 HD3 ARG 18 1HD ARG 18 -14.104 2.915 -0.568 152 HE ARG 18 HE ARG 18 -16.710 2.148 -0.929 153 HH11 ARG 18 1HH1 ARG 18 -15.054 5.093 0.079 154 HH12 ARG 18 2HH1 ARG 18 -16.262 6.136 -0.479 155 HH21 ARG 18 1HH2 ARG 18 -18.352 3.569 -1.707 156 HH22 ARG 18 2HH2 ARG 18 -18.198 5.256 -1.510 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -10.752 -1.206 2.156 2 HA2 GLY 1 2HA GLY 1 -11.377 -3.504 2.133 3 HA3 GLY 1 1HA GLY 1 -12.697 -3.098 1.047 4 H VAL 2 H VAL 2 -10.625 -1.378 -0.472 5 HA VAL 2 HA VAL 2 -9.895 -3.573 -2.226 6 HB VAL 2 HB VAL 2 -9.558 -0.587 -2.675 7 HG11 VAL 2 1HG1 VAL 2 -9.335 -1.209 -5.048 8 HG12 VAL 2 2HG1 VAL 2 -9.411 -2.914 -4.593 9 HG13 VAL 2 3HG1 VAL 2 -8.064 -1.918 -4.047 10 HG21 VAL 2 3HG2 VAL 2 -11.557 -0.738 -4.102 11 HG22 VAL 2 1HG2 VAL 2 -11.921 -1.153 -2.427 12 HG23 VAL 2 2HG2 VAL 2 -11.754 -2.427 -3.633 13 H CYS 3 H CYS 3 -8.060 -4.487 -1.920 14 HA CYS 3 HA CYS 3 -5.973 -3.108 -0.444 15 HB2 CYS 3 2HB CYS 3 -6.374 -6.017 -1.082 16 HB3 CYS 3 1HB CYS 3 -5.098 -5.353 -0.063 17 H ARG 4 H ARG 4 -4.643 -2.029 -1.531 18 HA ARG 4 HA ARG 4 -3.735 -3.060 -4.116 19 HB2 ARG 4 2HB ARG 4 -4.735 -0.810 -4.159 20 HB3 ARG 4 1HB ARG 4 -3.564 -0.271 -2.966 21 HG2 ARG 4 2HG ARG 4 -1.745 -0.681 -4.559 22 HG3 ARG 4 1HG ARG 4 -2.927 -1.216 -5.762 23 HD2 ARG 4 2HD ARG 4 -2.788 1.526 -4.503 24 HD3 ARG 4 1HD ARG 4 -2.236 1.106 -6.127 25 HE ARG 4 HE ARG 4 -4.799 0.311 -6.133 26 HH11 ARG 4 1HH1 ARG 4 -3.289 3.403 -5.269 27 HH12 ARG 4 2HH1 ARG 4 -4.620 4.345 -5.788 28 HH21 ARG 4 1HH2 ARG 4 -6.604 1.659 -6.873 29 HH22 ARG 4 2HH2 ARG 4 -6.483 3.351 -6.692 30 H ABA 5 H ABA 5 -1.754 -3.867 -4.179 31 HA ABA 5 HA ABA 5 0.002 -3.655 -1.896 32 HB3 ABA 5 1HB ABA 5 0.367 -5.023 -4.569 33 HB2 ABA 5 2HB ABA 5 -0.250 -5.792 -3.116 34 HG1 ABA 5 3HG ABA 5 2.514 -4.673 -3.491 35 HG3 ABA 5 1HG ABA 5 2.068 -6.379 -3.473 36 HG2 ABA 5 2HG ABA 5 1.897 -5.405 -2.010 37 H VAL 6 H VAL 6 1.237 -1.926 -1.638 38 HA VAL 6 HA VAL 6 2.374 -0.784 -4.060 39 HB VAL 6 HB VAL 6 0.741 0.720 -3.263 40 HG11 VAL 6 1HG1 VAL 6 0.900 1.862 -1.038 41 HG12 VAL 6 2HG1 VAL 6 2.210 0.756 -0.624 42 HG13 VAL 6 3HG1 VAL 6 0.585 0.128 -0.922 43 HG21 VAL 6 3HG2 VAL 6 2.644 1.796 -4.242 44 HG22 VAL 6 1HG2 VAL 6 3.500 1.796 -2.703 45 HG23 VAL 6 2HG2 VAL 6 2.076 2.805 -2.910 46 H ABA 7 H ABA 7 4.348 -0.132 -4.007 47 HA ABA 7 HA ABA 7 6.010 -1.333 -1.903 48 HB3 ABA 7 1HB ABA 7 6.865 -0.359 -4.639 49 HB2 ABA 7 2HB ABA 7 6.473 -2.030 -4.249 50 HG1 ABA 7 3HG ABA 7 8.884 -1.673 -4.298 51 HG3 ABA 7 1HG ABA 7 8.345 -2.099 -2.675 52 HG2 ABA 7 2HG ABA 7 8.737 -0.424 -3.067 53 H ARG 8 H ARG 8 6.458 0.014 -0.332 54 HA ARG 8 HA ARG 8 7.538 2.658 -0.958 55 HB2 ARG 8 2HB ARG 8 5.702 1.990 1.366 56 HB3 ARG 8 1HB ARG 8 6.419 3.541 1.015 57 HG2 ARG 8 2HG ARG 8 5.039 3.862 -0.900 58 HG3 ARG 8 1HG ARG 8 4.452 2.199 -0.819 59 HD2 ARG 8 2HD ARG 8 3.955 4.372 1.215 60 HD3 ARG 8 1HD ARG 8 2.779 3.711 0.078 61 HE ARG 8 HE ARG 8 3.962 1.687 1.661 62 HH11 ARG 8 1HH1 ARG 8 1.342 4.086 1.711 63 HH12 ARG 8 2HH1 ARG 8 0.515 3.349 2.990 64 HH21 ARG 8 1HH2 ARG 8 2.864 0.704 3.391 65 HH22 ARG 8 2HH2 ARG 8 1.393 1.331 3.976 66 H ARG 9 H ARG 9 9.311 3.064 0.306 67 HA ARG 9 HA ARG 9 11.107 2.691 1.585 68 HB2 ARG 9 2HB ARG 9 9.388 2.925 3.392 69 HB3 ARG 9 1HB ARG 9 9.146 1.198 3.367 70 HG2 ARG 9 2HG ARG 9 10.486 1.982 5.301 71 HG3 ARG 9 1HG ARG 9 11.355 0.830 4.295 72 HD2 ARG 9 2HD ARG 9 11.680 3.785 3.915 73 HD3 ARG 9 1HD ARG 9 12.605 2.930 5.142 74 HE ARG 9 HE ARG 9 13.238 1.450 3.134 75 HH11 ARG 9 1HH1 ARG 9 12.916 4.962 3.062 76 HH12 ARG 9 2HH1 ARG 9 13.975 5.184 1.757 77 HH21 ARG 9 1HH2 ARG 9 14.710 1.732 1.353 78 HH22 ARG 9 2HH2 ARG 9 15.005 3.296 0.739 79 H GLY 10 H GLY 10 10.349 0.822 -0.493 80 HA2 GLY 10 2HA GLY 10 11.417 -0.948 -1.511 81 HA3 GLY 10 1HA GLY 10 12.482 -1.027 -0.118 82 H VAL 11 H VAL 11 9.015 -1.245 0.262 83 HA VAL 11 HA VAL 11 9.148 -4.120 0.200 84 HB VAL 11 HB VAL 11 9.671 -3.538 2.552 85 HG11 VAL 11 1HG1 VAL 11 8.526 -1.427 2.773 86 HG12 VAL 11 2HG1 VAL 11 7.984 -2.545 4.023 87 HG13 VAL 11 3HG1 VAL 11 6.966 -2.231 2.619 88 HG21 VAL 11 3HG2 VAL 11 8.545 -5.631 2.133 89 HG22 VAL 11 1HG2 VAL 11 6.975 -4.825 2.176 90 HG23 VAL 11 2HG2 VAL 11 7.952 -4.936 3.643 91 H ABA 12 H ABA 12 7.383 -5.034 -0.535 92 HA ABA 12 HA ABA 12 5.245 -3.340 -1.479 93 HB3 ABA 12 1HB ABA 12 4.413 -5.437 -2.542 94 HB2 ABA 12 2HB ABA 12 5.743 -6.312 -1.796 95 HG1 ABA 12 3HG ABA 12 6.242 -5.828 -4.105 96 HG3 ABA 12 1HG ABA 12 7.340 -4.940 -3.046 97 HG2 ABA 12 2HG ABA 12 5.996 -4.105 -3.820 98 H ARG 13 H ARG 13 3.920 -2.770 0.055 99 HA ARG 13 HA ARG 13 2.979 -4.795 1.965 100 HB2 ARG 13 2HB ARG 13 4.347 -2.645 2.689 101 HB3 ARG 13 1HB ARG 13 2.825 -1.822 2.421 102 HG2 ARG 13 2HG ARG 13 3.217 -4.105 4.354 103 HG3 ARG 13 1HG ARG 13 3.316 -2.409 4.797 104 HD2 ARG 13 2HD ARG 13 0.975 -2.120 4.126 105 HD3 ARG 13 1HD ARG 13 0.883 -3.828 3.704 106 HE ARG 13 HE ARG 13 1.807 -3.603 6.327 107 HH11 ARG 13 1HH1 ARG 13 -1.230 -3.147 4.511 108 HH12 ARG 13 2HH1 ARG 13 -2.205 -3.369 5.881 109 HH21 ARG 13 1HH2 ARG 13 0.383 -3.990 8.168 110 HH22 ARG 13 2HH2 ARG 13 -1.307 -3.862 7.939 111 H ABA 14 H ABA 14 0.856 -5.171 1.915 112 HA ABA 14 HA ABA 14 -0.722 -4.007 -0.184 113 HB3 ABA 14 1HB ABA 14 -1.412 -6.024 1.943 114 HB2 ABA 14 2HB ABA 14 -0.778 -6.422 0.354 115 HG1 ABA 14 3HG ABA 14 -3.391 -5.100 0.950 116 HG3 ABA 14 1HG ABA 14 -3.164 -6.775 0.448 117 HG2 ABA 14 2HG ABA 14 -2.780 -5.464 -0.668 118 H VAL 15 H VAL 15 -1.817 -2.195 0.065 119 HA VAL 15 HA VAL 15 -2.623 -1.434 2.766 120 HB VAL 15 HB VAL 15 -2.230 0.324 0.317 121 HG11 VAL 15 1HG1 VAL 15 -3.995 1.177 1.819 122 HG12 VAL 15 2HG1 VAL 15 -2.575 2.216 1.813 123 HG13 VAL 15 3HG1 VAL 15 -2.861 1.124 3.167 124 HG21 VAL 15 3HG2 VAL 15 -0.604 0.081 2.842 125 HG22 VAL 15 1HG2 VAL 15 -0.308 1.227 1.536 126 HG23 VAL 15 2HG2 VAL 15 -0.129 -0.509 1.251 127 H CYS 16 H CYS 16 -4.681 -1.615 3.179 128 HA CYS 16 HA CYS 16 -6.543 -1.932 0.951 129 HB2 CYS 16 2HB CYS 16 -6.920 -2.570 3.870 130 HB3 CYS 16 1HB CYS 16 -8.053 -2.944 2.572 131 H ARG 17 H ARG 17 -7.673 -0.441 0.255 132 HA ARG 17 HA ARG 17 -8.352 1.795 2.032 133 HB2 ARG 17 2HB ARG 17 -8.027 1.766 -0.986 134 HB3 ARG 17 1HB ARG 17 -8.420 3.165 -0.002 135 HG2 ARG 17 2HG ARG 17 -5.823 1.630 0.109 136 HG3 ARG 17 1HG ARG 17 -6.067 3.160 -0.731 137 HD2 ARG 17 2HD ARG 17 -6.386 2.699 2.233 138 HD3 ARG 17 1HD ARG 17 -5.008 3.485 1.457 139 HE ARG 17 HE ARG 17 -6.987 4.975 0.577 140 HH11 ARG 17 1HH1 ARG 17 -6.310 3.866 3.885 141 HH12 ARG 17 2HH1 ARG 17 -7.114 5.159 4.625 142 HH21 ARG 17 1HH2 ARG 17 -8.064 6.765 1.606 143 HH22 ARG 17 2HH2 ARG 17 -8.139 6.851 3.307 144 H ARG 18 H ARG 18 -10.352 1.400 2.647 145 HA ARG 18 HA ARG 18 -12.523 0.922 2.729 146 HB2 ARG 18 2HB ARG 18 -12.521 2.869 1.116 147 HB3 ARG 18 1HB ARG 18 -12.574 1.711 -0.197 148 HG2 ARG 18 2HG ARG 18 -14.736 0.923 0.533 149 HG3 ARG 18 1HG ARG 18 -14.665 1.985 1.941 150 HD2 ARG 18 2HD ARG 18 -14.655 2.898 -0.932 151 HD3 ARG 18 1HD ARG 18 -16.063 2.902 0.126 152 HE ARG 18 HE ARG 18 -14.166 4.310 1.479 153 HH11 ARG 18 1HH1 ARG 18 -15.692 4.629 -1.711 154 HH12 ARG 18 2HH1 ARG 18 -15.576 6.313 -1.754 155 HH21 ARG 18 1HH2 ARG 18 -14.012 6.626 1.420 156 HH22 ARG 18 2HH2 ARG 18 -14.574 7.491 0.068 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -11.666 -2.550 1.037 2 HA2 GLY 1 2HA GLY 1 -11.691 -4.754 0.218 3 HA3 GLY 1 1HA GLY 1 -12.907 -4.279 -0.967 4 H VAL 2 H VAL 2 -10.781 -1.840 -0.964 5 HA VAL 2 HA VAL 2 -9.433 -2.862 -3.327 6 HB VAL 2 HB VAL 2 -9.573 -0.033 -2.232 7 HG11 VAL 2 1HG1 VAL 2 -8.588 -1.046 -4.901 8 HG12 VAL 2 2HG1 VAL 2 -7.597 -0.377 -3.604 9 HG13 VAL 2 3HG1 VAL 2 -8.754 0.651 -4.446 10 HG21 VAL 2 3HG2 VAL 2 -11.778 -0.812 -2.936 11 HG22 VAL 2 1HG2 VAL 2 -11.122 -1.288 -4.499 12 HG23 VAL 2 2HG2 VAL 2 -11.169 0.414 -4.047 13 H CYS 3 H CYS 3 -7.617 -3.864 -2.858 14 HA CYS 3 HA CYS 3 -5.930 -2.983 -0.674 15 HB2 CYS 3 2HB CYS 3 -5.798 -5.386 -2.498 16 HB3 CYS 3 1HB CYS 3 -4.617 -5.022 -1.246 17 H ARG 4 H ARG 4 -4.570 -1.460 -1.049 18 HA ARG 4 HA ARG 4 -3.295 -1.362 -3.678 19 HB2 ARG 4 2HB ARG 4 -4.646 0.647 -3.036 20 HB3 ARG 4 1HB ARG 4 -3.577 0.873 -1.657 21 HG2 ARG 4 2HG ARG 4 -1.687 1.182 -3.191 22 HG3 ARG 4 1HG ARG 4 -2.776 0.976 -4.562 23 HD2 ARG 4 2HD ARG 4 -4.070 2.914 -3.814 24 HD3 ARG 4 1HD ARG 4 -2.960 3.131 -2.464 25 HE ARG 4 HE ARG 4 -1.882 3.174 -5.172 26 HH11 ARG 4 1HH1 ARG 4 -2.647 4.951 -2.214 27 HH12 ARG 4 2HH1 ARG 4 -1.962 6.416 -2.713 28 HH21 ARG 4 1HH2 ARG 4 -0.865 5.176 -5.872 29 HH22 ARG 4 2HH2 ARG 4 -0.906 6.537 -4.856 30 H ABA 5 H ABA 5 -1.257 -1.885 -3.689 31 HA ABA 5 HA ABA 5 0.137 -2.106 -1.135 32 HB3 ABA 5 1HB ABA 5 0.712 -3.484 -3.769 33 HB2 ABA 5 2HB ABA 5 -0.144 -4.215 -2.418 34 HG1 ABA 5 3HG ABA 5 1.860 -4.024 -1.038 35 HG3 ABA 5 1HG ABA 5 2.725 -3.305 -2.396 36 HG2 ABA 5 2HG ABA 5 2.157 -4.973 -2.495 37 H VAL 6 H VAL 6 1.036 -0.186 -0.873 38 HA VAL 6 HA VAL 6 2.505 0.937 -3.100 39 HB VAL 6 HB VAL 6 2.824 2.977 -1.594 40 HG11 VAL 6 1HG1 VAL 6 0.544 3.808 -1.947 41 HG12 VAL 6 2HG1 VAL 6 -0.004 2.160 -2.235 42 HG13 VAL 6 3HG1 VAL 6 1.133 2.915 -3.352 43 HG21 VAL 6 3HG2 VAL 6 0.790 1.521 0.109 44 HG22 VAL 6 1HG2 VAL 6 1.226 3.223 0.283 45 HG23 VAL 6 2HG2 VAL 6 2.433 1.979 0.574 46 H ABA 7 H ABA 7 4.447 0.313 -3.359 47 HA ABA 7 HA ABA 7 5.875 -0.956 -1.246 48 HB3 ABA 7 1HB ABA 7 7.420 -1.490 -3.045 49 HB2 ABA 7 2HB ABA 7 6.486 -0.500 -4.157 50 HG1 ABA 7 3HG ABA 7 6.001 -2.884 -4.434 51 HG3 ABA 7 1HG ABA 7 4.580 -1.967 -3.919 52 HG2 ABA 7 2HG ABA 7 5.460 -2.946 -2.753 53 H ARG 8 H ARG 8 7.681 -0.186 -0.357 54 HA ARG 8 HA ARG 8 8.703 2.346 -1.386 55 HB2 ARG 8 2HB ARG 8 7.576 2.437 0.925 56 HB3 ARG 8 1HB ARG 8 8.932 1.486 1.505 57 HG2 ARG 8 2HG ARG 8 9.453 3.726 2.014 58 HG3 ARG 8 1HG ARG 8 10.437 3.314 0.616 59 HD2 ARG 8 2HD ARG 8 7.884 4.948 0.632 60 HD3 ARG 8 1HD ARG 8 9.507 5.539 0.305 61 HE ARG 8 HE ARG 8 7.747 4.057 -1.470 62 HH11 ARG 8 1HH1 ARG 8 10.966 5.518 -1.025 63 HH12 ARG 8 2HH1 ARG 8 11.390 5.369 -2.671 64 HH21 ARG 8 1HH2 ARG 8 8.368 3.877 -3.731 65 HH22 ARG 8 2HH2 ARG 8 9.898 4.428 -4.226 66 H ARG 9 H ARG 9 9.750 0.759 -2.733 67 HA ARG 9 HA ARG 9 11.475 -0.399 -3.504 68 HB2 ARG 9 2HB ARG 9 12.640 1.701 -2.724 69 HB3 ARG 9 1HB ARG 9 13.105 0.824 -1.271 70 HG2 ARG 9 2HG ARG 9 14.252 -0.845 -2.698 71 HG3 ARG 9 1HG ARG 9 13.867 0.146 -4.106 72 HD2 ARG 9 2HD ARG 9 15.086 2.028 -2.963 73 HD3 ARG 9 1HD ARG 9 15.612 0.843 -1.766 74 HE ARG 9 HE ARG 9 16.120 0.216 -4.535 75 HH11 ARG 9 1HH1 ARG 9 17.448 1.285 -1.453 76 HH12 ARG 9 2HH1 ARG 9 19.068 1.261 -1.940 77 HH21 ARG 9 1HH2 ARG 9 18.311 0.146 -5.261 78 HH22 ARG 9 2HH2 ARG 9 19.582 0.612 -4.222 79 H GLY 10 H GLY 10 10.293 -2.274 -2.725 80 HA2 GLY 10 2HA GLY 10 10.859 -4.494 -2.174 81 HA3 GLY 10 1HA GLY 10 12.032 -3.886 -1.010 82 H VAL 11 H VAL 11 10.427 -2.065 0.292 83 HA VAL 11 HA VAL 11 8.978 -3.845 2.022 84 HB VAL 11 HB VAL 11 9.272 -0.830 2.162 85 HG11 VAL 11 1HG1 VAL 11 8.582 -1.053 4.502 86 HG12 VAL 11 2HG1 VAL 11 8.335 -2.782 4.267 87 HG13 VAL 11 3HG1 VAL 11 7.322 -1.625 3.409 88 HG21 VAL 11 3HG2 VAL 11 10.801 -3.019 3.564 89 HG22 VAL 11 1HG2 VAL 11 10.959 -1.295 3.894 90 HG23 VAL 11 2HG2 VAL 11 11.421 -1.936 2.319 91 H ABA 12 H ABA 12 7.109 -4.517 1.264 92 HA ABA 12 HA ABA 12 5.381 -2.833 -0.315 93 HB3 ABA 12 1HB ABA 12 3.936 -4.827 -0.420 94 HB2 ABA 12 2HB ABA 12 4.975 -5.640 0.740 95 HG1 ABA 12 3HG ABA 12 5.423 -6.423 -1.499 96 HG3 ABA 12 1HG ABA 12 6.823 -5.568 -0.862 97 HG2 ABA 12 2HG ABA 12 5.769 -4.784 -2.037 98 H ARG 13 H ARG 13 3.972 -1.435 0.637 99 HA ARG 13 HA ARG 13 2.899 -2.181 3.251 100 HB2 ARG 13 2HB ARG 13 3.954 0.059 3.115 101 HB3 ARG 13 1HB ARG 13 2.833 0.502 1.831 102 HG2 ARG 13 2HG ARG 13 0.962 0.136 3.426 103 HG3 ARG 13 1HG ARG 13 2.162 -0.140 4.688 104 HD2 ARG 13 2HD ARG 13 3.037 2.129 4.314 105 HD3 ARG 13 1HD ARG 13 1.780 2.396 3.102 106 HE ARG 13 HE ARG 13 0.943 1.579 5.755 107 HH11 ARG 13 1HH1 ARG 13 1.203 4.245 3.419 108 HH12 ARG 13 2HH1 ARG 13 0.132 5.246 4.277 109 HH21 ARG 13 1HH2 ARG 13 -0.557 3.004 6.880 110 HH22 ARG 13 2HH2 ARG 13 -0.890 4.545 6.237 111 H ABA 14 H ABA 14 1.279 -3.543 2.740 112 HA ABA 14 HA ABA 14 -0.558 -2.855 0.605 113 HB3 ABA 14 1HB ABA 14 -0.400 -5.289 2.394 114 HB2 ABA 14 2HB ABA 14 0.247 -5.174 0.762 115 HG1 ABA 14 3HG ABA 14 -2.659 -4.992 1.509 116 HG3 ABA 14 1HG ABA 14 -1.852 -6.391 0.797 117 HG2 ABA 14 2HG ABA 14 -2.004 -4.889 -0.121 118 H VAL 15 H VAL 15 -2.139 -1.542 1.077 119 HA VAL 15 HA VAL 15 -3.452 -1.879 3.661 120 HB VAL 15 HB VAL 15 -2.314 0.294 3.595 121 HG11 VAL 15 1HG1 VAL 15 -2.183 0.692 1.222 122 HG12 VAL 15 2HG1 VAL 15 -2.940 2.070 2.024 123 HG13 VAL 15 3HG1 VAL 15 -3.931 0.915 1.135 124 HG21 VAL 15 3HG2 VAL 15 -5.309 0.581 3.373 125 HG22 VAL 15 1HG2 VAL 15 -4.225 1.794 4.058 126 HG23 VAL 15 2HG2 VAL 15 -4.389 0.217 4.829 127 H CYS 16 H CYS 16 -5.497 -2.532 3.559 128 HA CYS 16 HA CYS 16 -6.843 -2.322 0.963 129 HB2 CYS 16 2HB CYS 16 -7.318 -4.322 3.183 130 HB3 CYS 16 1HB CYS 16 -8.126 -4.291 1.623 131 H ARG 17 H ARG 17 -8.428 -0.937 0.897 132 HA ARG 17 HA ARG 17 -10.173 -0.660 3.209 133 HB2 ARG 17 2HB ARG 17 -8.910 1.649 1.701 134 HB3 ARG 17 1HB ARG 17 -10.314 1.829 2.746 135 HG2 ARG 17 2HG ARG 17 -9.000 1.067 4.652 136 HG3 ARG 17 1HG ARG 17 -7.604 0.844 3.606 137 HD2 ARG 17 2HD ARG 17 -7.522 3.217 3.149 138 HD3 ARG 17 1HD ARG 17 -8.993 3.475 4.095 139 HE ARG 17 HE ARG 17 -7.394 2.265 5.856 140 HH11 ARG 17 1HH1 ARG 17 -6.737 5.067 3.762 141 HH12 ARG 17 2HH1 ARG 17 -5.725 5.820 4.908 142 HH21 ARG 17 1HH2 ARG 17 -6.028 3.307 7.371 143 HH22 ARG 17 2HH2 ARG 17 -5.325 4.821 7.016 144 H ARG 18 H ARG 18 -12.281 -0.628 2.654 145 HA ARG 18 HA ARG 18 -14.180 -0.730 1.442 146 HB2 ARG 18 2HB ARG 18 -13.544 1.478 0.549 147 HB3 ARG 18 1HB ARG 18 -12.533 0.722 -0.658 148 HG2 ARG 18 2HG ARG 18 -14.560 1.603 -1.660 149 HG3 ARG 18 1HG ARG 18 -14.540 -0.150 -1.779 150 HD2 ARG 18 2HD ARG 18 -16.009 1.308 0.414 151 HD3 ARG 18 1HD ARG 18 -16.751 0.952 -1.141 152 HE ARG 18 HE ARG 18 -15.765 -1.423 -0.288 153 HH11 ARG 18 1HH1 ARG 18 -18.017 0.938 1.089 154 HH12 ARG 18 2HH1 ARG 18 -18.943 -0.216 1.939 155 HH21 ARG 18 1HH2 ARG 18 -17.065 -3.015 0.862 156 HH22 ARG 18 2HH2 ARG 18 -18.397 -2.516 1.792 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -11.616 -1.449 1.099 2 HA2 GLY 1 2HA GLY 1 -12.059 -3.677 0.651 3 HA3 GLY 1 1HA GLY 1 -13.193 -3.177 -0.605 4 H VAL 2 H VAL 2 -10.412 -1.442 -0.989 5 HA VAL 2 HA VAL 2 -9.462 -3.241 -3.090 6 HB VAL 2 HB VAL 2 -8.859 -0.296 -2.668 7 HG11 VAL 2 1HG1 VAL 2 -8.383 -2.076 -5.059 8 HG12 VAL 2 2HG1 VAL 2 -7.153 -1.459 -3.957 9 HG13 VAL 2 3HG1 VAL 2 -8.053 -0.345 -4.989 10 HG21 VAL 2 3HG2 VAL 2 -10.420 0.146 -4.522 11 HG22 VAL 2 1HG2 VAL 2 -11.231 -0.573 -3.129 12 HG23 VAL 2 2HG2 VAL 2 -10.860 -1.564 -4.537 13 H CYS 3 H CYS 3 -7.625 -4.287 -2.671 14 HA CYS 3 HA CYS 3 -6.043 -3.385 -0.407 15 HB2 CYS 3 2HB CYS 3 -5.960 -5.988 -1.936 16 HB3 CYS 3 1HB CYS 3 -4.973 -5.600 -0.526 17 H ARG 4 H ARG 4 -4.690 -1.977 -0.799 18 HA ARG 4 HA ARG 4 -3.402 -1.737 -3.402 19 HB2 ARG 4 2HB ARG 4 -3.406 0.117 -1.020 20 HB3 ARG 4 1HB ARG 4 -2.833 0.492 -2.637 21 HG2 ARG 4 2HG ARG 4 -5.064 0.396 -3.516 22 HG3 ARG 4 1HG ARG 4 -5.692 -0.177 -1.970 23 HD2 ARG 4 2HD ARG 4 -6.163 2.183 -2.210 24 HD3 ARG 4 1HD ARG 4 -4.980 1.934 -0.928 25 HE ARG 4 HE ARG 4 -3.871 2.491 -3.515 26 HH11 ARG 4 1HH1 ARG 4 -4.866 3.860 -0.428 27 HH12 ARG 4 2HH1 ARG 4 -4.165 5.390 -0.714 28 HH21 ARG 4 1HH2 ARG 4 -2.832 4.550 -3.878 29 HH22 ARG 4 2HH2 ARG 4 -2.960 5.788 -2.727 30 H ABA 5 H ABA 5 -1.383 -2.419 -3.601 31 HA ABA 5 HA ABA 5 0.161 -2.970 -1.181 32 HB3 ABA 5 1HB ABA 5 0.674 -3.843 -4.035 33 HB2 ABA 5 2HB ABA 5 -0.163 -4.819 -2.833 34 HG1 ABA 5 3HG ABA 5 2.124 -5.531 -3.073 35 HG3 ABA 5 1HG ABA 5 1.865 -4.861 -1.464 36 HG2 ABA 5 2HG ABA 5 2.699 -3.908 -2.698 37 H VAL 6 H VAL 6 0.987 -1.042 -0.651 38 HA VAL 6 HA VAL 6 2.129 0.576 -2.735 39 HB VAL 6 HB VAL 6 2.476 2.344 -1.006 40 HG11 VAL 6 1HG1 VAL 6 -0.320 1.260 -1.210 41 HG12 VAL 6 2HG1 VAL 6 0.465 2.362 -2.343 42 HG13 VAL 6 3HG1 VAL 6 0.101 2.893 -0.700 43 HG21 VAL 6 3HG2 VAL 6 2.692 0.944 0.990 44 HG22 VAL 6 1HG2 VAL 6 1.010 0.441 0.832 45 HG23 VAL 6 2HG2 VAL 6 1.398 2.126 1.192 46 H ABA 7 H ABA 7 4.056 0.251 -3.384 47 HA ABA 7 HA ABA 7 5.955 -1.068 -1.726 48 HB3 ABA 7 1HB ABA 7 5.832 -1.924 -3.931 49 HB2 ABA 7 2HB ABA 7 7.304 -0.961 -3.845 50 HG1 ABA 7 3HG ABA 7 6.224 0.875 -5.005 51 HG3 ABA 7 1HG ABA 7 4.737 -0.064 -5.113 52 HG2 ABA 7 2HG ABA 7 6.187 -0.607 -5.958 53 H ARG 8 H ARG 8 7.107 0.037 -0.412 54 HA ARG 8 HA ARG 8 8.050 2.729 -1.165 55 HB2 ARG 8 2HB ARG 8 7.657 1.646 1.642 56 HB3 ARG 8 1HB ARG 8 8.124 3.276 1.204 57 HG2 ARG 8 2HG ARG 8 5.447 1.988 0.701 58 HG3 ARG 8 1HG ARG 8 5.812 3.214 1.914 59 HD2 ARG 8 2HD ARG 8 6.003 3.567 -1.077 60 HD3 ARG 8 1HD ARG 8 4.699 4.162 -0.056 61 HE ARG 8 HE ARG 8 6.920 5.255 1.037 62 HH11 ARG 8 1HH1 ARG 8 5.641 5.219 -2.270 63 HH12 ARG 8 2HH1 ARG 8 6.213 6.764 -2.675 64 HH21 ARG 8 1HH2 ARG 8 7.718 7.422 0.470 65 HH22 ARG 8 2HH2 ARG 8 7.363 8.054 -1.072 66 H ARG 9 H ARG 9 9.895 1.920 -2.161 67 HA ARG 9 HA ARG 9 12.028 1.252 -2.383 68 HB2 ARG 9 2HB ARG 9 12.375 3.071 -0.730 69 HB3 ARG 9 1HB ARG 9 12.156 1.920 0.573 70 HG2 ARG 9 2HG ARG 9 14.515 2.516 0.239 71 HG3 ARG 9 1HG ARG 9 14.217 0.800 -0.011 72 HD2 ARG 9 2HD ARG 9 15.724 1.771 -1.705 73 HD3 ARG 9 1HD ARG 9 14.251 1.103 -2.406 74 HE ARG 9 HE ARG 9 13.798 3.789 -1.906 75 HH11 ARG 9 1HH1 ARG 9 15.967 1.886 -3.917 76 HH12 ARG 9 2HH1 ARG 9 15.998 2.987 -5.207 77 HH21 ARG 9 1HH2 ARG 9 13.799 5.319 -3.688 78 HH22 ARG 9 2HH2 ARG 9 14.714 4.976 -5.088 79 H GLY 10 H GLY 10 10.624 -0.851 -2.528 80 HA2 GLY 10 2HA GLY 10 11.169 -3.118 -2.523 81 HA3 GLY 10 1HA GLY 10 12.197 -2.849 -1.123 82 H VAL 11 H VAL 11 10.169 -1.427 0.363 83 HA VAL 11 HA VAL 11 8.885 -3.687 1.567 84 HB VAL 11 HB VAL 11 8.469 -0.744 2.168 85 HG11 VAL 11 1HG1 VAL 11 7.925 -3.185 3.852 86 HG12 VAL 11 2HG1 VAL 11 6.717 -2.149 3.098 87 HG13 VAL 11 3HG1 VAL 11 7.737 -1.516 4.387 88 HG21 VAL 11 3HG2 VAL 11 10.418 -2.681 3.408 89 HG22 VAL 11 1HG2 VAL 11 10.119 -1.036 3.970 90 HG23 VAL 11 2HG2 VAL 11 10.825 -1.307 2.380 91 H ABA 12 H ABA 12 7.202 -4.554 0.560 92 HA ABA 12 HA ABA 12 5.308 -2.838 -0.839 93 HB3 ABA 12 1HB ABA 12 4.410 -4.979 -1.738 94 HB2 ABA 12 2HB ABA 12 5.625 -5.849 -0.810 95 HG1 ABA 12 3HG ABA 12 6.298 -5.625 -3.126 96 HG3 ABA 12 1HG ABA 12 7.390 -4.733 -2.066 97 HG2 ABA 12 2HG ABA 12 6.173 -3.871 -3.008 98 H ARG 13 H ARG 13 4.101 -1.963 0.717 99 HA ARG 13 HA ARG 13 3.054 -3.655 2.832 100 HB2 ARG 13 2HB ARG 13 4.038 -1.571 3.529 101 HB3 ARG 13 1HB ARG 13 3.023 -0.668 2.422 102 HG2 ARG 13 2HG ARG 13 1.067 -1.173 3.711 103 HG3 ARG 13 1HG ARG 13 1.982 -2.264 4.755 104 HD2 ARG 13 2HD ARG 13 2.439 0.704 4.472 105 HD3 ARG 13 1HD ARG 13 1.611 -0.078 5.814 106 HE ARG 13 HE ARG 13 4.024 -1.317 5.693 107 HH11 ARG 13 1HH1 ARG 13 3.041 2.058 6.040 108 HH12 ARG 13 2HH1 ARG 13 4.386 2.489 6.993 109 HH21 ARG 13 1HH2 ARG 13 5.915 -0.668 6.981 110 HH22 ARG 13 2HH2 ARG 13 6.017 0.933 7.537 111 H ABA 14 H ABA 14 1.206 -4.600 2.558 112 HA ABA 14 HA ABA 14 -0.676 -3.595 0.583 113 HB3 ABA 14 1HB ABA 14 -0.711 -6.154 2.205 114 HB2 ABA 14 2HB ABA 14 -0.108 -5.995 0.559 115 HG1 ABA 14 3HG ABA 14 -2.343 -5.417 -0.226 116 HG3 ABA 14 1HG ABA 14 -2.958 -5.565 1.423 117 HG2 ABA 14 2HG ABA 14 -2.328 -6.983 0.589 118 H VAL 15 H VAL 15 -2.373 -2.483 1.113 119 HA VAL 15 HA VAL 15 -3.518 -2.737 3.780 120 HB VAL 15 HB VAL 15 -2.155 -0.725 3.900 121 HG11 VAL 15 1HG1 VAL 15 -3.602 0.247 1.441 122 HG12 VAL 15 2HG1 VAL 15 -1.922 -0.276 1.517 123 HG13 VAL 15 3HG1 VAL 15 -2.426 1.173 2.378 124 HG21 VAL 15 3HG2 VAL 15 -5.063 0.019 3.546 125 HG22 VAL 15 1HG2 VAL 15 -3.864 0.967 4.422 126 HG23 VAL 15 2HG2 VAL 15 -4.335 -0.627 5.012 127 H CYS 16 H CYS 16 -5.716 -2.836 3.754 128 HA CYS 16 HA CYS 16 -6.955 -2.573 1.114 129 HB2 CYS 16 2HB CYS 16 -7.929 -4.160 3.501 130 HB3 CYS 16 1HB CYS 16 -8.640 -4.151 1.887 131 H ARG 17 H ARG 17 -7.912 -0.779 0.794 132 HA ARG 17 HA ARG 17 -9.577 0.363 2.934 133 HB2 ARG 17 2HB ARG 17 -7.330 1.582 2.443 134 HB3 ARG 17 1HB ARG 17 -8.057 2.017 0.906 135 HG2 ARG 17 2HG ARG 17 -8.351 3.867 2.355 136 HG3 ARG 17 1HG ARG 17 -9.928 3.083 2.229 137 HD2 ARG 17 2HD ARG 17 -9.513 1.917 4.349 138 HD3 ARG 17 1HD ARG 17 -7.945 2.697 4.472 139 HE ARG 17 HE ARG 17 -10.491 4.167 4.486 140 HH11 ARG 17 1HH1 ARG 17 -7.196 3.781 5.685 141 HH12 ARG 17 2HH1 ARG 17 -7.372 4.889 6.965 142 HH21 ARG 17 1HH2 ARG 17 -10.732 5.729 6.252 143 HH22 ARG 17 2HH2 ARG 17 -9.419 6.036 7.284 144 H ARG 18 H ARG 18 -11.639 0.866 2.172 145 HA ARG 18 HA ARG 18 -13.440 1.024 0.810 146 HB2 ARG 18 2HB ARG 18 -12.169 2.766 -0.448 147 HB3 ARG 18 1HB ARG 18 -11.392 1.521 -1.402 148 HG2 ARG 18 2HG ARG 18 -13.087 2.618 -2.724 149 HG3 ARG 18 1HG ARG 18 -13.595 0.963 -2.396 150 HD2 ARG 18 2HD ARG 18 -15.489 2.431 -2.124 151 HD3 ARG 18 1HD ARG 18 -15.003 1.817 -0.543 152 HE ARG 18 HE ARG 18 -13.738 4.265 -1.130 153 HH11 ARG 18 1HH1 ARG 18 -16.867 2.991 -0.010 154 HH12 ARG 18 2HH1 ARG 18 -17.309 4.452 0.761 155 HH21 ARG 18 1HH2 ARG 18 -14.344 6.195 -0.087 156 HH22 ARG 18 2HH2 ARG 18 -15.828 6.348 0.731 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -11.914 -2.139 1.678 2 HA2 GLY 1 2HA GLY 1 -12.326 -4.100 0.509 3 HA3 GLY 1 1HA GLY 1 -13.456 -3.229 -0.517 4 H VAL 2 H VAL 2 -10.712 -1.381 -0.575 5 HA VAL 2 HA VAL 2 -9.784 -2.874 -2.890 6 HB VAL 2 HB VAL 2 -10.656 -0.672 -3.557 7 HG11 VAL 2 1HG1 VAL 2 -9.588 1.421 -2.904 8 HG12 VAL 2 2HG1 VAL 2 -8.576 0.541 -1.756 9 HG13 VAL 2 3HG1 VAL 2 -10.320 0.596 -1.528 10 HG21 VAL 2 3HG2 VAL 2 -8.816 -1.574 -4.859 11 HG22 VAL 2 1HG2 VAL 2 -7.658 -0.794 -3.783 12 HG23 VAL 2 2HG2 VAL 2 -8.721 0.186 -4.795 13 H CYS 3 H CYS 3 -7.834 -3.647 -2.964 14 HA CYS 3 HA CYS 3 -6.010 -2.946 -0.794 15 HB2 CYS 3 2HB CYS 3 -6.278 -5.490 -2.376 16 HB3 CYS 3 1HB CYS 3 -4.980 -5.167 -1.231 17 H ARG 4 H ARG 4 -4.468 -1.713 -1.377 18 HA ARG 4 HA ARG 4 -3.321 -2.020 -4.063 19 HB2 ARG 4 2HB ARG 4 -3.465 0.471 -2.359 20 HB3 ARG 4 1HB ARG 4 -2.654 0.351 -3.911 21 HG2 ARG 4 2HG ARG 4 -4.814 -0.145 -4.977 22 HG3 ARG 4 1HG ARG 4 -5.607 0.051 -3.411 23 HD2 ARG 4 2HD ARG 4 -5.790 2.098 -4.709 24 HD3 ARG 4 1HD ARG 4 -4.766 2.348 -3.292 25 HE ARG 4 HE ARG 4 -3.475 1.677 -5.803 26 HH11 ARG 4 1HH1 ARG 4 -4.307 4.196 -3.468 27 HH12 ARG 4 2HH1 ARG 4 -3.115 5.291 -4.003 28 HH21 ARG 4 1HH2 ARG 4 -1.855 3.197 -6.558 29 HH22 ARG 4 2HH2 ARG 4 -1.703 4.723 -5.830 30 H ABA 5 H ABA 5 -1.509 -3.095 -3.848 31 HA ABA 5 HA ABA 5 0.109 -2.712 -1.457 32 HB3 ABA 5 1HB ABA 5 0.356 -4.743 -3.685 33 HB2 ABA 5 2HB ABA 5 -0.447 -5.038 -2.147 34 HG1 ABA 5 3HG ABA 5 1.783 -5.998 -2.193 35 HG3 ABA 5 1HG ABA 5 1.661 -4.729 -0.974 36 HG2 ABA 5 2HG ABA 5 2.469 -4.404 -2.506 37 H VAL 6 H VAL 6 1.593 -1.262 -1.546 38 HA VAL 6 HA VAL 6 2.924 -0.836 -4.104 39 HB VAL 6 HB VAL 6 1.568 1.034 -3.759 40 HG11 VAL 6 1HG1 VAL 6 1.791 2.577 -1.790 41 HG12 VAL 6 2HG1 VAL 6 2.886 1.414 -1.053 42 HG13 VAL 6 3HG1 VAL 6 1.203 0.975 -1.345 43 HG21 VAL 6 3HG2 VAL 6 3.207 2.911 -3.739 44 HG22 VAL 6 1HG2 VAL 6 3.696 1.548 -4.748 45 HG23 VAL 6 2HG2 VAL 6 4.428 1.774 -3.164 46 H ABA 7 H ABA 7 4.933 -0.655 -4.133 47 HA ABA 7 HA ABA 7 6.399 -1.580 -1.763 48 HB3 ABA 7 1HB ABA 7 7.328 -1.505 -4.637 49 HB2 ABA 7 2HB ABA 7 6.554 -2.898 -3.890 50 HG1 ABA 7 3HG ABA 7 8.954 -3.177 -3.974 51 HG3 ABA 7 1HG ABA 7 8.391 -3.080 -2.305 52 HG2 ABA 7 2HG ABA 7 9.176 -1.693 -3.053 53 H ARG 8 H ARG 8 7.059 -0.009 -0.585 54 HA ARG 8 HA ARG 8 8.438 2.254 -1.859 55 HB2 ARG 8 2HB ARG 8 6.881 2.132 0.722 56 HB3 ARG 8 1HB ARG 8 7.907 3.481 0.258 57 HG2 ARG 8 2HG ARG 8 6.506 3.929 -1.661 58 HG3 ARG 8 1HG ARG 8 5.510 2.524 -1.281 59 HD2 ARG 8 2HD ARG 8 4.523 4.676 -0.527 60 HD3 ARG 8 1HD ARG 8 4.782 3.517 0.776 61 HE ARG 8 HE ARG 8 7.016 4.938 0.917 62 HH11 ARG 8 1HH1 ARG 8 3.701 6.103 0.523 63 HH12 ARG 8 2HH1 ARG 8 3.894 7.482 1.475 64 HH21 ARG 8 1HH2 ARG 8 7.326 6.853 2.244 65 HH22 ARG 8 2HH2 ARG 8 6.062 7.953 2.442 66 H ARG 9 H ARG 9 10.549 1.929 -1.680 67 HA ARG 9 HA ARG 9 12.581 1.469 -0.910 68 HB2 ARG 9 2HB ARG 9 11.939 3.142 0.847 69 HB3 ARG 9 1HB ARG 9 11.316 1.837 1.832 70 HG2 ARG 9 2HG ARG 9 13.488 2.630 2.614 71 HG3 ARG 9 1HG ARG 9 13.558 0.941 2.105 72 HD2 ARG 9 2HD ARG 9 15.522 2.121 1.315 73 HD3 ARG 9 1HD ARG 9 14.502 1.666 -0.047 74 HE ARG 9 HE ARG 9 13.756 4.214 0.634 75 HH11 ARG 9 1HH1 ARG 9 16.729 2.634 -0.472 76 HH12 ARG 9 2HH1 ARG 9 17.360 4.014 -1.230 77 HH21 ARG 9 1HH2 ARG 9 14.603 6.119 -0.391 78 HH22 ARG 9 2HH2 ARG 9 16.124 6.074 -1.156 79 H GLY 10 H GLY 10 10.875 -0.582 -1.567 80 HA2 GLY 10 2HA GLY 10 11.221 -2.891 -1.680 81 HA3 GLY 10 1HA GLY 10 12.202 -2.778 -0.219 82 H VAL 11 H VAL 11 9.777 -1.128 0.823 83 HA VAL 11 HA VAL 11 8.539 -3.422 2.064 84 HB VAL 11 HB VAL 11 8.016 -0.476 2.554 85 HG11 VAL 11 1HG1 VAL 11 6.201 -1.905 3.322 86 HG12 VAL 11 2HG1 VAL 11 7.069 -1.218 4.696 87 HG13 VAL 11 3HG1 VAL 11 7.342 -2.896 4.231 88 HG21 VAL 11 3HG2 VAL 11 9.475 -0.699 4.519 89 HG22 VAL 11 1HG2 VAL 11 10.347 -0.997 3.016 90 HG23 VAL 11 2HG2 VAL 11 9.860 -2.352 4.036 91 H ABA 12 H ABA 12 7.253 -4.322 0.624 92 HA ABA 12 HA ABA 12 5.292 -2.780 -0.799 93 HB3 ABA 12 1HB ABA 12 6.114 -4.641 -2.051 94 HB2 ABA 12 2HB ABA 12 4.482 -5.072 -1.572 95 HG1 ABA 12 3HG ABA 12 5.957 -6.967 -1.355 96 HG3 ABA 12 1HG ABA 12 5.368 -6.468 0.227 97 HG2 ABA 12 2HG ABA 12 7.010 -6.060 -0.272 98 H ARG 13 H ARG 13 4.047 -1.814 0.499 99 HA ARG 13 HA ARG 13 2.817 -3.191 2.757 100 HB2 ARG 13 2HB ARG 13 3.879 -0.759 2.639 101 HB3 ARG 13 1HB ARG 13 2.305 -0.333 2.004 102 HG2 ARG 13 2HG ARG 13 2.820 -1.602 4.701 103 HG3 ARG 13 1HG ARG 13 2.555 0.107 4.415 104 HD2 ARG 13 2HD ARG 13 0.287 -0.392 3.622 105 HD3 ARG 13 1HD ARG 13 0.559 -2.111 3.915 106 HE ARG 13 HE ARG 13 1.045 -0.417 6.182 107 HH11 ARG 13 1HH1 ARG 13 -1.477 -2.358 4.527 108 HH12 ARG 13 2HH1 ARG 13 -2.421 -2.510 5.910 109 HH21 ARG 13 1HH2 ARG 13 -0.311 -0.662 8.058 110 HH22 ARG 13 2HH2 ARG 13 -1.781 -1.516 7.958 111 H ABA 14 H ABA 14 0.887 -4.058 2.490 112 HA ABA 14 HA ABA 14 -0.689 -3.460 0.116 113 HB3 ABA 14 1HB ABA 14 -1.030 -5.577 2.258 114 HB2 ABA 14 2HB ABA 14 -0.237 -5.822 0.708 115 HG1 ABA 14 3HG ABA 14 -2.343 -5.367 -0.445 116 HG3 ABA 14 1HG ABA 14 -3.138 -5.139 1.111 117 HG2 ABA 14 2HG ABA 14 -2.488 -6.720 0.676 118 H VAL 15 H VAL 15 -1.944 -1.742 0.360 119 HA VAL 15 HA VAL 15 -3.142 -1.206 2.966 120 HB VAL 15 HB VAL 15 -3.213 0.421 0.404 121 HG11 VAL 15 1HG1 VAL 15 -5.128 0.898 1.799 122 HG12 VAL 15 2HG1 VAL 15 -4.005 2.259 1.831 123 HG13 VAL 15 3HG1 VAL 15 -4.085 1.151 3.197 124 HG21 VAL 15 3HG2 VAL 15 -1.594 1.901 1.518 125 HG22 VAL 15 1HG2 VAL 15 -0.951 0.273 1.306 126 HG23 VAL 15 2HG2 VAL 15 -1.536 0.798 2.889 127 H CYS 16 H CYS 16 -4.971 -2.326 3.303 128 HA CYS 16 HA CYS 16 -6.892 -2.529 1.097 129 HB2 CYS 16 2HB CYS 16 -6.581 -4.271 3.547 130 HB3 CYS 16 1HB CYS 16 -7.903 -4.397 2.398 131 H ARG 17 H ARG 17 -8.247 -0.938 1.260 132 HA ARG 17 HA ARG 17 -9.724 -0.671 3.716 133 HB2 ARG 17 2HB ARG 17 -9.554 1.794 3.754 134 HB3 ARG 17 1HB ARG 17 -8.011 1.018 4.038 135 HG2 ARG 17 2HG ARG 17 -7.312 1.516 1.772 136 HG3 ARG 17 1HG ARG 17 -8.886 2.241 1.435 137 HD2 ARG 17 2HD ARG 17 -8.498 3.890 3.204 138 HD3 ARG 17 1HD ARG 17 -6.931 3.164 3.527 139 HE ARG 17 HE ARG 17 -6.235 3.855 1.325 140 HH11 ARG 17 1HH1 ARG 17 -9.181 5.408 2.558 141 HH12 ARG 17 2HH1 ARG 17 -9.010 6.811 1.635 142 HH21 ARG 17 1HH2 ARG 17 -5.957 5.815 0.092 143 HH22 ARG 17 2HH2 ARG 17 -7.110 7.063 0.189 144 H ARG 18 H ARG 18 -11.781 -0.131 3.410 145 HA ARG 18 HA ARG 18 -13.766 -0.040 2.379 146 HB2 ARG 18 2HB ARG 18 -12.936 2.296 1.909 147 HB3 ARG 18 1HB ARG 18 -12.324 1.734 0.368 148 HG2 ARG 18 2HG ARG 18 -14.419 2.950 0.099 149 HG3 ARG 18 1HG ARG 18 -14.605 1.264 -0.371 150 HD2 ARG 18 2HD ARG 18 -15.670 0.778 1.787 151 HD3 ARG 18 1HD ARG 18 -15.459 2.461 2.275 152 HE ARG 18 HE ARG 18 -16.799 2.702 -0.014 153 HH11 ARG 18 1HH1 ARG 18 -17.502 0.716 2.841 154 HH12 ARG 18 2HH1 ARG 18 -19.186 0.701 2.568 155 HH21 ARG 18 1HH2 ARG 18 -19.094 2.672 -0.352 156 HH22 ARG 18 2HH2 ARG 18 -20.107 1.858 0.749 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -11.758 -2.299 1.669 2 HA2 GLY 1 2HA GLY 1 -12.372 -4.288 0.564 3 HA3 GLY 1 1HA GLY 1 -13.509 -3.361 -0.401 4 H VAL 2 H VAL 2 -11.054 -1.354 -0.692 5 HA VAL 2 HA VAL 2 -10.063 -2.902 -2.956 6 HB VAL 2 HB VAL 2 -11.121 -0.783 -3.640 7 HG11 VAL 2 1HG1 VAL 2 -9.003 0.602 -2.020 8 HG12 VAL 2 2HG1 VAL 2 -10.737 0.584 -1.699 9 HG13 VAL 2 3HG1 VAL 2 -10.115 1.388 -3.139 10 HG21 VAL 2 3HG2 VAL 2 -8.136 -0.780 -4.082 11 HG22 VAL 2 1HG2 VAL 2 -9.307 0.133 -5.036 12 HG23 VAL 2 2HG2 VAL 2 -9.341 -1.629 -5.047 13 H CYS 3 H CYS 3 -8.017 -3.394 -3.187 14 HA CYS 3 HA CYS 3 -6.245 -2.665 -0.972 15 HB2 CYS 3 2HB CYS 3 -6.262 -5.144 -2.693 16 HB3 CYS 3 1HB CYS 3 -5.085 -4.786 -1.434 17 H ARG 4 H ARG 4 -4.325 -1.856 -1.390 18 HA ARG 4 HA ARG 4 -3.323 -1.863 -4.141 19 HB2 ARG 4 2HB ARG 4 -4.307 0.358 -3.695 20 HB3 ARG 4 1HB ARG 4 -3.314 0.511 -2.254 21 HG2 ARG 4 2HG ARG 4 -1.295 0.499 -3.623 22 HG3 ARG 4 1HG ARG 4 -2.279 0.302 -5.068 23 HD2 ARG 4 2HD ARG 4 -3.362 2.456 -4.614 24 HD3 ARG 4 1HD ARG 4 -2.355 2.655 -3.183 25 HE ARG 4 HE ARG 4 -0.508 2.329 -5.081 26 HH11 ARG 4 1HH1 ARG 4 -3.367 4.428 -5.014 27 HH12 ARG 4 2HH1 ARG 4 -2.691 5.609 -6.015 28 HH21 ARG 4 1HH2 ARG 4 0.432 3.991 -6.439 29 HH22 ARG 4 2HH2 ARG 4 -0.476 5.356 -6.846 30 H ABA 5 H ABA 5 -1.406 -2.825 -4.128 31 HA ABA 5 HA ABA 5 0.101 -2.912 -1.631 32 HB3 ABA 5 1HB ABA 5 0.510 -4.469 -4.196 33 HB2 ABA 5 2HB ABA 5 -0.357 -5.067 -2.784 34 HG1 ABA 5 3HG ABA 5 1.691 -4.935 -1.459 35 HG3 ABA 5 1HG ABA 5 2.569 -4.349 -2.872 36 HG2 ABA 5 2HG ABA 5 1.890 -5.979 -2.864 37 H VAL 6 H VAL 6 1.400 -1.302 -1.382 38 HA VAL 6 HA VAL 6 2.768 -0.231 -3.742 39 HB VAL 6 HB VAL 6 3.308 1.749 -2.379 40 HG11 VAL 6 1HG1 VAL 6 1.271 1.751 -3.711 41 HG12 VAL 6 2HG1 VAL 6 1.052 2.691 -2.240 42 HG13 VAL 6 3HG1 VAL 6 0.374 1.064 -2.357 43 HG21 VAL 6 3HG2 VAL 6 2.261 2.090 -0.172 44 HG22 VAL 6 1HG2 VAL 6 3.371 0.721 -0.160 45 HG23 VAL 6 2HG2 VAL 6 1.627 0.450 -0.227 46 H ABA 7 H ABA 7 5.054 0.209 -3.570 47 HA ABA 7 HA ABA 7 6.343 -1.356 -1.483 48 HB3 ABA 7 1HB ABA 7 7.152 -1.402 -4.397 49 HB2 ABA 7 2HB ABA 7 6.215 -2.670 -3.615 50 HG1 ABA 7 3HG ABA 7 9.001 -1.841 -2.846 51 HG3 ABA 7 1HG ABA 7 8.569 -3.271 -3.787 52 HG2 ABA 7 2HG ABA 7 8.056 -3.127 -2.106 53 H ARG 8 H ARG 8 7.096 0.264 -0.375 54 HA ARG 8 HA ARG 8 8.412 2.484 -1.742 55 HB2 ARG 8 2HB ARG 8 7.601 2.179 1.151 56 HB3 ARG 8 1HB ARG 8 8.363 3.603 0.469 57 HG2 ARG 8 2HG ARG 8 6.410 3.843 -1.051 58 HG3 ARG 8 1HG ARG 8 5.643 2.500 -0.201 59 HD2 ARG 8 2HD ARG 8 4.832 4.601 0.690 60 HD3 ARG 8 1HD ARG 8 5.804 3.770 1.903 61 HE ARG 8 HE ARG 8 7.390 5.548 0.390 62 HH11 ARG 8 1HH1 ARG 8 5.048 5.481 3.040 63 HH12 ARG 8 2HH1 ARG 8 5.503 6.971 3.702 64 HH21 ARG 8 1HH2 ARG 8 8.068 7.619 1.338 65 HH22 ARG 8 2HH2 ARG 8 7.279 8.204 2.729 66 H ARG 9 H ARG 9 10.304 1.602 -2.303 67 HA ARG 9 HA ARG 9 12.455 0.939 -2.187 68 HB2 ARG 9 2HB ARG 9 12.593 3.068 -0.839 69 HB3 ARG 9 1HB ARG 9 12.364 2.112 0.616 70 HG2 ARG 9 2HG ARG 9 14.470 0.942 0.191 71 HG3 ARG 9 1HG ARG 9 14.694 1.883 -1.280 72 HD2 ARG 9 2HD ARG 9 16.028 2.778 0.547 73 HD3 ARG 9 1HD ARG 9 14.804 3.939 0.036 74 HE ARG 9 HE ARG 9 13.518 2.948 2.028 75 HH11 ARG 9 1HH1 ARG 9 17.040 3.462 1.961 76 HH12 ARG 9 2HH1 ARG 9 17.188 3.677 3.639 77 HH21 ARG 9 1HH2 ARG 9 13.722 3.300 4.338 78 HH22 ARG 9 2HH2 ARG 9 15.233 3.590 5.040 79 H GLY 10 H GLY 10 10.958 -1.124 -1.987 80 HA2 GLY 10 2HA GLY 10 11.425 -3.367 -1.516 81 HA3 GLY 10 1HA GLY 10 12.417 -2.856 -0.160 82 H VAL 11 H VAL 11 10.135 -1.084 0.729 83 HA VAL 11 HA VAL 11 8.926 -3.072 2.413 84 HB VAL 11 HB VAL 11 8.467 -0.071 2.302 85 HG11 VAL 11 1HG1 VAL 11 7.476 -0.323 4.537 86 HG12 VAL 11 2HG1 VAL 11 7.664 -2.071 4.409 87 HG13 VAL 11 3HG1 VAL 11 6.564 -1.222 3.323 88 HG21 VAL 11 3HG2 VAL 11 10.179 -1.729 4.152 89 HG22 VAL 11 1HG2 VAL 11 9.896 0.007 4.295 90 HG23 VAL 11 2HG2 VAL 11 10.756 -0.635 2.894 91 H ABA 12 H ABA 12 7.441 -4.275 1.490 92 HA ABA 12 HA ABA 12 5.529 -3.178 -0.392 93 HB3 ABA 12 1HB ABA 12 4.763 -5.522 -0.619 94 HB2 ABA 12 2HB ABA 12 5.889 -5.999 0.646 95 HG1 ABA 12 3HG ABA 12 7.761 -5.291 -0.760 96 HG3 ABA 12 1HG ABA 12 6.624 -4.865 -2.039 97 HG2 ABA 12 2HG ABA 12 6.781 -6.543 -1.522 98 H ARG 13 H ARG 13 3.880 -2.181 0.428 99 HA ARG 13 HA ARG 13 2.633 -3.203 2.889 100 HB2 ARG 13 2HB ARG 13 3.693 -0.982 3.143 101 HB3 ARG 13 1HB ARG 13 2.672 -0.367 1.853 102 HG2 ARG 13 2HG ARG 13 0.690 -0.947 3.250 103 HG3 ARG 13 1HG ARG 13 1.802 -1.349 4.558 104 HD2 ARG 13 2HD ARG 13 0.996 0.901 4.865 105 HD3 ARG 13 1HD ARG 13 2.707 0.945 4.449 106 HE ARG 13 HE ARG 13 1.218 1.176 2.100 107 HH11 ARG 13 1HH1 ARG 13 1.844 3.085 5.012 108 HH12 ARG 13 2HH1 ARG 13 1.673 4.583 4.236 109 HH21 ARG 13 1HH2 ARG 13 0.935 3.292 1.028 110 HH22 ARG 13 2HH2 ARG 13 1.156 4.697 1.953 111 H ABA 14 H ABA 14 0.867 -4.302 2.267 112 HA ABA 14 HA ABA 14 -0.714 -3.335 0.028 113 HB3 ABA 14 1HB ABA 14 -1.070 -5.821 1.733 114 HB2 ABA 14 2HB ABA 14 -0.211 -5.772 0.198 115 HG1 ABA 14 3HG ABA 14 -3.140 -5.199 0.584 116 HG3 ABA 14 1HG ABA 14 -2.445 -6.675 -0.086 117 HG2 ABA 14 2HG ABA 14 -2.275 -5.143 -0.947 118 H VAL 15 H VAL 15 -2.058 -1.818 0.466 119 HA VAL 15 HA VAL 15 -3.337 -1.775 3.082 120 HB VAL 15 HB VAL 15 -3.987 0.599 2.513 121 HG11 VAL 15 1HG1 VAL 15 -1.048 -0.031 2.508 122 HG12 VAL 15 2HG1 VAL 15 -2.082 0.110 3.930 123 HG13 VAL 15 3HG1 VAL 15 -1.761 1.523 2.928 124 HG21 VAL 15 3HG2 VAL 15 -2.748 1.737 0.716 125 HG22 VAL 15 1HG2 VAL 15 -3.796 0.466 0.079 126 HG23 VAL 15 2HG2 VAL 15 -2.060 0.194 0.221 127 H CYS 16 H CYS 16 -5.259 -2.567 3.200 128 HA CYS 16 HA CYS 16 -7.000 -2.374 0.871 129 HB2 CYS 16 2HB CYS 16 -7.129 -4.279 3.214 130 HB3 CYS 16 1HB CYS 16 -8.263 -4.235 1.872 131 H ARG 17 H ARG 17 -8.421 -0.889 0.978 132 HA ARG 17 HA ARG 17 -9.503 -0.098 3.569 133 HB2 ARG 17 2HB ARG 17 -7.720 1.468 2.921 134 HB3 ARG 17 1HB ARG 17 -8.508 1.731 1.378 135 HG2 ARG 17 2HG ARG 17 -10.387 2.783 2.490 136 HG3 ARG 17 1HG ARG 17 -9.656 2.460 4.067 137 HD2 ARG 17 2HD ARG 17 -9.232 4.765 3.360 138 HD3 ARG 17 1HD ARG 17 -7.736 3.841 3.465 139 HE ARG 17 HE ARG 17 -8.875 3.821 0.841 140 HH11 ARG 17 1HH1 ARG 17 -6.776 5.686 2.986 141 HH12 ARG 17 2HH1 ARG 17 -5.983 6.529 1.742 142 HH21 ARG 17 1HH2 ARG 17 -7.808 4.925 -0.868 143 HH22 ARG 17 2HH2 ARG 17 -6.596 6.071 -0.552 144 H ARG 18 H ARG 18 -11.610 -0.295 3.481 145 HA ARG 18 HA ARG 18 -13.731 -0.533 2.800 146 HB2 ARG 18 2HB ARG 18 -13.447 1.917 2.382 147 HB3 ARG 18 1HB ARG 18 -12.969 1.566 0.734 148 HG2 ARG 18 2HG ARG 18 -15.235 2.344 0.710 149 HG3 ARG 18 1HG ARG 18 -15.229 0.627 0.334 150 HD2 ARG 18 2HD ARG 18 -15.987 1.897 2.984 151 HD3 ARG 18 1HD ARG 18 -17.086 1.185 1.814 152 HE ARG 18 HE ARG 18 -15.374 -0.150 3.715 153 HH11 ARG 18 1HH1 ARG 18 -17.396 -0.657 0.822 154 HH12 ARG 18 2HH1 ARG 18 -17.805 -2.258 1.201 155 HH21 ARG 18 1HH2 ARG 18 -15.932 -2.382 4.213 156 HH22 ARG 18 2HH2 ARG 18 -16.952 -3.266 3.182 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -11.819 -1.472 0.811 2 HA2 GLY 1 2HA GLY 1 -13.003 -3.192 -0.300 3 HA3 GLY 1 1HA GLY 1 -13.498 -2.023 -1.509 4 H VAL 2 H VAL 2 -10.228 -1.569 -0.926 5 HA VAL 2 HA VAL 2 -9.482 -3.588 -2.864 6 HB VAL 2 HB VAL 2 -9.993 -1.608 -4.202 7 HG11 VAL 2 1HG1 VAL 2 -9.687 0.148 -2.598 8 HG12 VAL 2 2HG1 VAL 2 -8.694 0.471 -4.021 9 HG13 VAL 2 3HG1 VAL 2 -7.951 -0.156 -2.549 10 HG21 VAL 2 3HG2 VAL 2 -7.856 -1.349 -5.404 11 HG22 VAL 2 1HG2 VAL 2 -8.183 -3.035 -4.996 12 HG23 VAL 2 2HG2 VAL 2 -7.018 -2.104 -4.052 13 H CYS 3 H CYS 3 -7.533 -4.466 -2.552 14 HA CYS 3 HA CYS 3 -5.943 -3.481 -0.326 15 HB2 CYS 3 2HB CYS 3 -5.726 -6.054 -1.910 16 HB3 CYS 3 1HB CYS 3 -4.785 -5.641 -0.481 17 H ARG 4 H ARG 4 -4.657 -2.002 -0.729 18 HA ARG 4 HA ARG 4 -3.487 -1.719 -3.381 19 HB2 ARG 4 2HB ARG 4 -3.617 0.153 -1.010 20 HB3 ARG 4 1HB ARG 4 -2.849 0.535 -2.541 21 HG2 ARG 4 2HG ARG 4 -5.767 -0.142 -2.246 22 HG3 ARG 4 1HG ARG 4 -5.125 1.501 -2.257 23 HD2 ARG 4 2HD ARG 4 -4.810 -0.510 -4.494 24 HD3 ARG 4 1HD ARG 4 -5.976 0.810 -4.467 25 HE ARG 4 HE ARG 4 -3.741 2.154 -4.104 26 HH11 ARG 4 1HH1 ARG 4 -4.320 -0.464 -6.431 27 HH12 ARG 4 2HH1 ARG 4 -3.288 0.179 -7.609 28 HH21 ARG 4 1HH2 ARG 4 -2.345 3.035 -5.740 29 HH22 ARG 4 2HH2 ARG 4 -2.126 2.207 -7.213 30 H ABA 5 H ABA 5 -1.604 -2.622 -3.634 31 HA ABA 5 HA ABA 5 0.205 -2.991 -1.374 32 HB3 ABA 5 1HB ABA 5 0.443 -3.942 -4.240 33 HB2 ABA 5 2HB ABA 5 -0.220 -4.898 -2.921 34 HG1 ABA 5 3HG ABA 5 2.089 -5.520 -3.434 35 HG3 ABA 5 1HG ABA 5 1.942 -4.873 -1.797 36 HG2 ABA 5 2HG ABA 5 2.605 -3.870 -3.081 37 H VAL 6 H VAL 6 1.089 -1.079 -0.964 38 HA VAL 6 HA VAL 6 2.202 0.498 -3.162 39 HB VAL 6 HB VAL 6 2.386 1.098 -0.241 40 HG11 VAL 6 1HG1 VAL 6 2.525 3.447 -0.948 41 HG12 VAL 6 2HG1 VAL 6 2.434 2.918 -2.625 42 HG13 VAL 6 3HG1 VAL 6 3.806 2.440 -1.627 43 HG21 VAL 6 3HG2 VAL 6 0.013 0.776 -0.639 44 HG22 VAL 6 1HG2 VAL 6 0.068 1.863 -2.027 45 HG23 VAL 6 2HG2 VAL 6 0.335 2.493 -0.397 46 H ABA 7 H ABA 7 4.355 0.616 -3.392 47 HA ABA 7 HA ABA 7 5.938 -1.078 -1.597 48 HB3 ABA 7 1HB ABA 7 6.474 -0.596 -4.535 49 HB2 ABA 7 2HB ABA 7 5.721 -2.044 -3.873 50 HG1 ABA 7 3HG ABA 7 8.504 -1.084 -3.270 51 HG3 ABA 7 1HG ABA 7 8.083 -2.416 -4.348 52 HG2 ABA 7 2HG ABA 7 7.750 -2.539 -2.620 53 H ARG 8 H ARG 8 6.881 0.249 -0.297 54 HA ARG 8 HA ARG 8 8.044 2.690 -1.390 55 HB2 ARG 8 2HB ARG 8 7.521 1.956 1.492 56 HB3 ARG 8 1HB ARG 8 8.298 3.441 0.970 57 HG2 ARG 8 2HG ARG 8 5.451 2.593 0.436 58 HG3 ARG 8 1HG ARG 8 5.992 3.898 1.488 59 HD2 ARG 8 2HD ARG 8 6.198 3.760 -1.522 60 HD3 ARG 8 1HD ARG 8 5.179 4.836 -0.582 61 HE ARG 8 HE ARG 8 8.096 4.994 -0.329 62 HH11 ARG 8 1HH1 ARG 8 5.060 6.577 -1.275 63 HH12 ARG 8 2HH1 ARG 8 5.809 8.067 -1.604 64 HH21 ARG 8 1HH2 ARG 8 9.086 7.068 -0.788 65 HH22 ARG 8 2HH2 ARG 8 8.109 8.365 -1.315 66 H ARG 9 H ARG 9 9.676 1.689 -2.392 67 HA ARG 9 HA ARG 9 11.758 0.976 -2.752 68 HB2 ARG 9 2HB ARG 9 12.134 3.058 -1.306 69 HB3 ARG 9 1HB ARG 9 12.423 1.956 0.030 70 HG2 ARG 9 2HG ARG 9 14.518 2.696 -0.924 71 HG3 ARG 9 1HG ARG 9 14.299 0.968 -1.228 72 HD2 ARG 9 2HD ARG 9 13.573 1.415 -3.489 73 HD3 ARG 9 1HD ARG 9 13.644 3.155 -3.201 74 HE ARG 9 HE ARG 9 16.141 2.296 -2.667 75 HH11 ARG 9 1HH1 ARG 9 13.978 1.896 -5.465 76 HH12 ARG 9 2HH1 ARG 9 15.225 1.889 -6.616 77 HH21 ARG 9 1HH2 ARG 9 17.869 2.281 -4.283 78 HH22 ARG 9 2HH2 ARG 9 17.475 2.093 -5.927 79 H GLY 10 H GLY 10 10.450 -1.100 -2.400 80 HA2 GLY 10 2HA GLY 10 11.102 -3.346 -2.030 81 HA3 GLY 10 1HA GLY 10 12.072 -2.807 -0.664 82 H VAL 11 H VAL 11 9.990 -1.192 0.486 83 HA VAL 11 HA VAL 11 8.709 -3.202 2.045 84 HB VAL 11 HB VAL 11 8.249 -0.208 2.027 85 HG11 VAL 11 1HG1 VAL 11 7.315 -0.541 4.269 86 HG12 VAL 11 2HG1 VAL 11 7.519 -2.285 4.082 87 HG13 VAL 11 3HG1 VAL 11 6.394 -1.412 3.041 88 HG21 VAL 11 3HG2 VAL 11 10.010 -1.894 3.804 89 HG22 VAL 11 1HG2 VAL 11 9.725 -0.162 3.969 90 HG23 VAL 11 2HG2 VAL 11 10.564 -0.786 2.547 91 H ABA 12 H ABA 12 7.278 -4.346 0.910 92 HA ABA 12 HA ABA 12 5.250 -3.052 -0.695 93 HB3 ABA 12 1HB ABA 12 4.454 -5.388 -1.110 94 HB2 ABA 12 2HB ABA 12 5.719 -5.961 -0.032 95 HG1 ABA 12 3HG ABA 12 6.165 -4.486 -2.609 96 HG3 ABA 12 1HG ABA 12 6.367 -6.218 -2.349 97 HG2 ABA 12 2HG ABA 12 7.421 -5.066 -1.517 98 H ARG 13 H ARG 13 4.087 -1.924 0.677 99 HA ARG 13 HA ARG 13 2.872 -3.167 3.007 100 HB2 ARG 13 2HB ARG 13 3.942 -0.999 3.327 101 HB3 ARG 13 1HB ARG 13 2.994 -0.300 2.030 102 HG2 ARG 13 2HG ARG 13 2.181 0.386 4.233 103 HG3 ARG 13 1HG ARG 13 0.970 -0.538 3.353 104 HD2 ARG 13 2HD ARG 13 1.039 -1.226 5.678 105 HD3 ARG 13 1HD ARG 13 1.575 -2.533 4.624 106 HE ARG 13 HE ARG 13 3.628 -0.848 5.776 107 HH11 ARG 13 1HH1 ARG 13 1.877 -3.919 5.842 108 HH12 ARG 13 2HH1 ARG 13 2.901 -4.700 6.941 109 HH21 ARG 13 1HH2 ARG 13 5.098 -1.896 7.324 110 HH22 ARG 13 2HH2 ARG 13 4.805 -3.503 7.806 111 H ABA 14 H ABA 14 1.215 -4.373 2.300 112 HA ABA 14 HA ABA 14 -0.636 -3.244 0.335 113 HB3 ABA 14 1HB ABA 14 -0.443 -6.076 1.402 114 HB2 ABA 14 2HB ABA 14 0.267 -5.528 -0.111 115 HG1 ABA 14 3HG ABA 14 -1.797 -6.723 -0.509 116 HG3 ABA 14 1HG ABA 14 -1.966 -5.029 -0.974 117 HG2 ABA 14 2HG ABA 14 -2.673 -5.598 0.535 118 H VAL 15 H VAL 15 -2.090 -2.053 1.225 119 HA VAL 15 HA VAL 15 -3.272 -2.903 3.787 120 HB VAL 15 HB VAL 15 -3.418 -0.124 2.589 121 HG11 VAL 15 1HG1 VAL 15 -3.793 -1.067 5.417 122 HG12 VAL 15 2HG1 VAL 15 -5.086 -0.690 4.290 123 HG13 VAL 15 3HG1 VAL 15 -3.989 0.587 4.833 124 HG21 VAL 15 3HG2 VAL 15 -1.396 -1.130 4.587 125 HG22 VAL 15 1HG2 VAL 15 -1.622 0.556 4.116 126 HG23 VAL 15 2HG2 VAL 15 -1.073 -0.624 2.930 127 H CYS 16 H CYS 16 -5.433 -3.319 3.803 128 HA CYS 16 HA CYS 16 -6.891 -3.007 1.274 129 HB2 CYS 16 2HB CYS 16 -7.583 -4.680 3.690 130 HB3 CYS 16 1HB CYS 16 -8.438 -4.670 2.152 131 H ARG 17 H ARG 17 -7.805 -1.186 1.067 132 HA ARG 17 HA ARG 17 -9.440 -0.175 3.284 133 HB2 ARG 17 2HB ARG 17 -7.647 1.492 1.506 134 HB3 ARG 17 1HB ARG 17 -8.789 2.115 2.682 135 HG2 ARG 17 2HG ARG 17 -6.256 0.583 3.217 136 HG3 ARG 17 1HG ARG 17 -6.562 2.288 3.543 137 HD2 ARG 17 2HD ARG 17 -7.893 -0.074 4.857 138 HD3 ARG 17 1HD ARG 17 -6.730 1.019 5.601 139 HE ARG 17 HE ARG 17 -8.563 2.743 4.991 140 HH11 ARG 17 1HH1 ARG 17 -8.961 -0.484 6.350 141 HH12 ARG 17 2HH1 ARG 17 -10.466 -0.174 7.097 142 HH21 ARG 17 1HH2 ARG 17 -10.630 3.217 6.007 143 HH22 ARG 17 2HH2 ARG 17 -11.452 1.999 6.867 144 H ARG 18 H ARG 18 -11.378 0.474 2.616 145 HA ARG 18 HA ARG 18 -13.105 1.225 1.345 146 HB2 ARG 18 2HB ARG 18 -11.353 2.975 0.898 147 HB3 ARG 18 1HB ARG 18 -10.973 2.123 -0.580 148 HG2 ARG 18 2HG ARG 18 -13.096 2.679 -1.523 149 HG3 ARG 18 1HG ARG 18 -13.676 3.287 0.034 150 HD2 ARG 18 2HD ARG 18 -11.385 4.424 -1.558 151 HD3 ARG 18 1HD ARG 18 -12.993 5.136 -1.432 152 HE ARG 18 HE ARG 18 -12.457 5.106 1.074 153 HH11 ARG 18 1HH1 ARG 18 -10.094 5.800 -1.469 154 HH12 ARG 18 2HH1 ARG 18 -9.080 6.729 -0.469 155 HH21 ARG 18 1HH2 ARG 18 -11.071 6.388 2.441 156 HH22 ARG 18 2HH2 ARG 18 -9.645 7.072 1.819 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -11.530 -0.568 1.660 2 HA2 GLY 1 2HA GLY 1 -12.858 -2.426 1.137 3 HA3 GLY 1 1HA GLY 1 -13.520 -1.540 -0.224 4 H VAL 2 H VAL 2 -10.406 -0.881 -0.691 5 HA VAL 2 HA VAL 2 -10.069 -3.354 -2.211 6 HB VAL 2 HB VAL 2 -8.903 -2.075 -3.993 7 HG11 VAL 2 1HG1 VAL 2 -10.896 -1.093 -5.003 8 HG12 VAL 2 2HG1 VAL 2 -11.713 -1.151 -3.445 9 HG13 VAL 2 3HG1 VAL 2 -11.247 -2.650 -4.254 10 HG21 VAL 2 3HG2 VAL 2 -9.866 0.363 -2.486 11 HG22 VAL 2 1HG2 VAL 2 -9.153 0.372 -4.098 12 HG23 VAL 2 2HG2 VAL 2 -8.188 -0.127 -2.710 13 H CYS 3 H CYS 3 -8.073 -4.222 -2.447 14 HA CYS 3 HA CYS 3 -6.046 -3.232 -0.592 15 HB2 CYS 3 2HB CYS 3 -6.415 -5.972 -1.800 16 HB3 CYS 3 1HB CYS 3 -5.170 -5.525 -0.635 17 H ARG 4 H ARG 4 -4.146 -2.574 -1.236 18 HA ARG 4 HA ARG 4 -3.374 -2.955 -4.055 19 HB2 ARG 4 2HB ARG 4 -2.859 -0.467 -2.398 20 HB3 ARG 4 1HB ARG 4 -2.469 -0.702 -4.087 21 HG2 ARG 4 2HG ARG 4 -5.209 -0.369 -2.865 22 HG3 ARG 4 1HG ARG 4 -4.366 0.754 -3.925 23 HD2 ARG 4 2HD ARG 4 -5.442 -1.968 -4.630 24 HD3 ARG 4 1HD ARG 4 -6.051 -0.414 -5.182 25 HE ARG 4 HE ARG 4 -3.869 -0.144 -6.304 26 HH11 ARG 4 1HH1 ARG 4 -5.016 -3.418 -5.532 27 HH12 ARG 4 2HH1 ARG 4 -4.368 -4.142 -6.916 28 HH21 ARG 4 1HH2 ARG 4 -2.890 -1.188 -8.236 29 HH22 ARG 4 2HH2 ARG 4 -3.161 -2.837 -8.500 30 H ABA 5 H ABA 5 -1.458 -3.985 -4.138 31 HA ABA 5 HA ABA 5 0.267 -4.115 -1.806 32 HB3 ABA 5 1HB ABA 5 0.667 -5.256 -4.594 33 HB2 ABA 5 2HB ABA 5 -0.089 -6.121 -3.263 34 HG1 ABA 5 3HG ABA 5 2.765 -5.167 -3.333 35 HG3 ABA 5 1HG ABA 5 2.215 -6.828 -3.569 36 HG2 ABA 5 2HG ABA 5 1.999 -6.035 -2.006 37 H VAL 6 H VAL 6 1.086 -2.151 -1.475 38 HA VAL 6 HA VAL 6 2.241 -0.737 -3.737 39 HB VAL 6 HB VAL 6 2.363 1.240 -2.262 40 HG11 VAL 6 1HG1 VAL 6 0.401 0.945 -3.623 41 HG12 VAL 6 2HG1 VAL 6 -0.056 1.661 -2.078 42 HG13 VAL 6 3HG1 VAL 6 -0.351 -0.053 -2.381 43 HG21 VAL 6 3HG2 VAL 6 0.980 -0.498 -0.207 44 HG22 VAL 6 1HG2 VAL 6 1.232 1.241 -0.062 45 HG23 VAL 6 2HG2 VAL 6 2.615 0.145 -0.088 46 H ABA 7 H ABA 7 4.360 -0.457 -4.006 47 HA ABA 7 HA ABA 7 6.132 -1.596 -2.064 48 HB3 ABA 7 1HB ABA 7 7.800 -1.039 -3.851 49 HB2 ABA 7 2HB ABA 7 6.461 -0.499 -4.846 50 HG1 ABA 7 3HG ABA 7 6.884 -3.268 -3.795 51 HG3 ABA 7 1HG ABA 7 7.107 -2.738 -5.457 52 HG2 ABA 7 2HG ABA 7 5.485 -2.747 -4.750 53 H ARG 8 H ARG 8 6.256 -0.193 -0.437 54 HA ARG 8 HA ARG 8 6.828 2.587 -1.125 55 HB2 ARG 8 2HB ARG 8 4.696 2.422 -0.010 56 HB3 ARG 8 1HB ARG 8 5.399 1.452 1.276 57 HG2 ARG 8 2HG ARG 8 6.685 3.324 2.063 58 HG3 ARG 8 1HG ARG 8 6.150 4.310 0.702 59 HD2 ARG 8 2HD ARG 8 4.313 3.138 2.784 60 HD3 ARG 8 1HD ARG 8 4.941 4.789 2.822 61 HE ARG 8 HE ARG 8 3.696 4.235 0.349 62 HH11 ARG 8 1HH1 ARG 8 2.869 4.908 3.726 63 HH12 ARG 8 2HH1 ARG 8 1.414 5.711 3.344 64 HH21 ARG 8 1HH2 ARG 8 1.669 5.324 -0.157 65 HH22 ARG 8 2HH2 ARG 8 0.715 5.926 1.122 66 H ARG 9 H ARG 9 8.820 3.065 -0.843 67 HA ARG 9 HA ARG 9 10.857 3.350 0.006 68 HB2 ARG 9 2HB ARG 9 9.403 3.941 2.044 69 HB3 ARG 9 1HB ARG 9 9.792 2.344 2.656 70 HG2 ARG 9 2HG ARG 9 11.204 4.026 3.680 71 HG3 ARG 9 1HG ARG 9 12.173 2.947 2.672 72 HD2 ARG 9 2HD ARG 9 12.233 4.575 0.900 73 HD3 ARG 9 1HD ARG 9 11.142 5.640 1.772 74 HE ARG 9 HE ARG 9 13.164 5.346 3.480 75 HH11 ARG 9 1HH1 ARG 9 13.124 6.221 0.020 76 HH12 ARG 9 2HH1 ARG 9 14.466 7.234 0.090 77 HH21 ARG 9 1HH2 ARG 9 15.031 6.798 3.597 78 HH22 ARG 9 2HH2 ARG 9 15.594 7.580 2.209 79 H GLY 10 H GLY 10 10.117 0.816 -1.185 80 HA2 GLY 10 2HA GLY 10 11.583 -0.915 -1.763 81 HA3 GLY 10 1HA GLY 10 12.445 -0.659 -0.256 82 H VAL 11 H VAL 11 9.315 -0.750 0.714 83 HA VAL 11 HA VAL 11 9.401 -3.649 0.886 84 HB VAL 11 HB VAL 11 9.867 -2.687 3.106 85 HG11 VAL 11 1HG1 VAL 11 8.758 -0.565 2.955 86 HG12 VAL 11 2HG1 VAL 11 8.198 -1.448 4.377 87 HG13 VAL 11 3HG1 VAL 11 7.182 -1.361 2.935 88 HG21 VAL 11 3HG2 VAL 11 8.719 -4.810 3.062 89 HG22 VAL 11 1HG2 VAL 11 7.157 -3.994 2.968 90 HG23 VAL 11 2HG2 VAL 11 8.145 -3.846 4.424 91 H ABA 12 H ABA 12 7.729 -4.731 0.134 92 HA ABA 12 HA ABA 12 5.513 -3.187 -0.865 93 HB3 ABA 12 1HB ABA 12 6.370 -4.814 -2.433 94 HB2 ABA 12 2HB ABA 12 4.757 -5.310 -1.959 95 HG1 ABA 12 3HG ABA 12 6.190 -7.227 -2.108 96 HG3 ABA 12 1HG ABA 12 5.713 -6.960 -0.430 97 HG2 ABA 12 2HG ABA 12 7.330 -6.505 -0.974 98 H ARG 13 H ARG 13 3.763 -2.876 0.133 99 HA ARG 13 HA ARG 13 2.926 -4.724 2.267 100 HB2 ARG 13 2HB ARG 13 3.836 -2.644 3.227 101 HB3 ARG 13 1HB ARG 13 2.747 -1.701 2.224 102 HG2 ARG 13 2HG ARG 13 1.886 -1.767 4.471 103 HG3 ARG 13 1HG ARG 13 0.829 -2.708 3.422 104 HD2 ARG 13 2HD ARG 13 1.901 -4.768 4.200 105 HD3 ARG 13 1HD ARG 13 2.949 -3.819 5.252 106 HE ARG 13 HE ARG 13 0.119 -3.422 5.638 107 HH11 ARG 13 1HH1 ARG 13 3.023 -5.109 6.782 108 HH12 ARG 13 2HH1 ARG 13 2.328 -5.650 8.227 109 HH21 ARG 13 1HH2 ARG 13 -0.841 -4.138 7.658 110 HH22 ARG 13 2HH2 ARG 13 0.073 -5.085 8.732 111 H ABA 14 H ABA 14 0.931 -5.513 1.904 112 HA ABA 14 HA ABA 14 -0.686 -4.314 -0.172 113 HB3 ABA 14 1HB ABA 14 -1.223 -6.786 1.493 114 HB2 ABA 14 2HB ABA 14 -0.414 -6.797 -0.069 115 HG1 ABA 14 3HG ABA 14 -2.443 -5.874 -1.104 116 HG3 ABA 14 1HG ABA 14 -3.250 -5.933 0.459 117 HG2 ABA 14 2HG ABA 14 -2.738 -7.429 -0.329 118 H VAL 15 H VAL 15 -1.504 -2.532 0.510 119 HA VAL 15 HA VAL 15 -2.729 -2.424 3.124 120 HB VAL 15 HB VAL 15 -3.040 0.023 2.686 121 HG11 VAL 15 1HG1 VAL 15 -0.219 -0.988 2.361 122 HG12 VAL 15 2HG1 VAL 15 -1.077 -0.768 3.886 123 HG13 VAL 15 3HG1 VAL 15 -0.677 0.630 2.891 124 HG21 VAL 15 3HG2 VAL 15 -1.459 -0.540 0.166 125 HG22 VAL 15 1HG2 VAL 15 -1.847 1.063 0.793 126 HG23 VAL 15 2HG2 VAL 15 -3.137 -0.006 0.243 127 H CYS 16 H CYS 16 -4.756 -2.603 3.437 128 HA CYS 16 HA CYS 16 -6.573 -2.505 1.145 129 HB2 CYS 16 2HB CYS 16 -6.924 -3.861 3.831 130 HB3 CYS 16 1HB CYS 16 -8.089 -3.881 2.517 131 H ARG 17 H ARG 17 -7.718 -0.775 0.969 132 HA ARG 17 HA ARG 17 -8.842 0.459 3.289 133 HB2 ARG 17 2HB ARG 17 -8.029 2.720 2.723 134 HB3 ARG 17 1HB ARG 17 -6.726 1.652 3.202 135 HG2 ARG 17 2HG ARG 17 -5.979 1.432 0.934 136 HG3 ARG 17 1HG ARG 17 -7.412 2.263 0.327 137 HD2 ARG 17 2HD ARG 17 -5.493 3.751 0.323 138 HD3 ARG 17 1HD ARG 17 -6.693 4.315 1.476 139 HE ARG 17 HE ARG 17 -4.192 2.933 2.135 140 HH11 ARG 17 1HH1 ARG 17 -6.780 5.203 3.069 141 HH12 ARG 17 2HH1 ARG 17 -5.936 5.759 4.448 142 HH21 ARG 17 1HH2 ARG 17 -3.086 3.761 4.085 143 HH22 ARG 17 2HH2 ARG 17 -3.853 4.955 5.008 144 H ARG 18 H ARG 18 -10.678 1.529 2.805 145 HA ARG 18 HA ARG 18 -12.504 2.265 1.675 146 HB2 ARG 18 2HB ARG 18 -10.733 3.680 0.502 147 HB3 ARG 18 1HB ARG 18 -10.717 2.476 -0.772 148 HG2 ARG 18 2HG ARG 18 -13.132 2.950 -1.166 149 HG3 ARG 18 1HG ARG 18 -13.013 4.246 0.024 150 HD2 ARG 18 2HD ARG 18 -11.448 4.033 -2.539 151 HD3 ARG 18 1HD ARG 18 -12.780 5.148 -2.217 152 HE ARG 18 HE ARG 18 -11.083 5.762 -0.270 153 HH11 ARG 18 1HH1 ARG 18 -10.653 5.482 -3.745 154 HH12 ARG 18 2HH1 ARG 18 -9.276 6.473 -3.829 155 HH21 ARG 18 1HH2 ARG 18 -9.210 7.141 -0.340 156 HH22 ARG 18 2HH2 ARG 18 -8.418 7.446 -1.827 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -11.705 -2.055 2.036 2 HA2 GLY 1 2HA GLY 1 -11.844 -4.156 1.080 3 HA3 GLY 1 1HA GLY 1 -13.195 -3.592 0.104 4 H VAL 2 H VAL 2 -10.732 -1.415 -0.175 5 HA VAL 2 HA VAL 2 -9.893 -2.542 -2.735 6 HB VAL 2 HB VAL 2 -9.579 0.279 -1.656 7 HG11 VAL 2 1HG1 VAL 2 -9.097 -0.803 -4.431 8 HG12 VAL 2 2HG1 VAL 2 -7.860 -0.304 -3.281 9 HG13 VAL 2 3HG1 VAL 2 -8.974 0.892 -3.947 10 HG21 VAL 2 3HG2 VAL 2 -11.539 -0.784 -3.687 11 HG22 VAL 2 1HG2 VAL 2 -11.338 0.909 -3.241 12 HG23 VAL 2 2HG2 VAL 2 -11.928 -0.254 -2.051 13 H CYS 3 H CYS 3 -8.083 -3.675 -2.537 14 HA CYS 3 HA CYS 3 -6.033 -2.776 -0.668 15 HB2 CYS 3 2HB CYS 3 -6.397 -5.406 -2.116 16 HB3 CYS 3 1HB CYS 3 -5.010 -5.008 -1.110 17 H ARG 4 H ARG 4 -4.249 -1.904 -1.368 18 HA ARG 4 HA ARG 4 -3.490 -2.213 -4.188 19 HB2 ARG 4 2HB ARG 4 -3.298 0.291 -2.490 20 HB3 ARG 4 1HB ARG 4 -2.627 0.120 -4.103 21 HG2 ARG 4 2HG ARG 4 -4.866 -0.145 -5.023 22 HG3 ARG 4 1HG ARG 4 -5.553 -0.036 -3.401 23 HD2 ARG 4 2HD ARG 4 -4.640 2.216 -3.171 24 HD3 ARG 4 1HD ARG 4 -3.970 2.113 -4.799 25 HE ARG 4 HE ARG 4 -6.575 1.603 -5.185 26 HH11 ARG 4 1HH1 ARG 4 -4.836 4.248 -3.605 27 HH12 ARG 4 2HH1 ARG 4 -6.059 5.409 -3.854 28 HH21 ARG 4 1HH2 ARG 4 -8.273 3.224 -5.568 29 HH22 ARG 4 2HH2 ARG 4 -8.035 4.821 -5.035 30 H ABA 5 H ABA 5 -1.640 -3.314 -4.201 31 HA ABA 5 HA ABA 5 0.153 -3.070 -1.898 32 HB3 ABA 5 1HB ABA 5 -0.025 -5.276 -3.966 33 HB2 ABA 5 2HB ABA 5 -0.700 -5.348 -2.343 34 HG1 ABA 5 3HG ABA 5 2.227 -5.133 -3.020 35 HG3 ABA 5 1HG ABA 5 1.385 -6.584 -2.478 36 HG2 ABA 5 2HG ABA 5 1.546 -5.200 -1.396 37 H VAL 6 H VAL 6 1.596 -1.585 -2.266 38 HA VAL 6 HA VAL 6 3.127 -1.732 -4.761 39 HB VAL 6 HB VAL 6 3.385 0.769 -4.742 40 HG11 VAL 6 1HG1 VAL 6 1.170 1.311 -5.662 41 HG12 VAL 6 2HG1 VAL 6 0.539 -0.201 -5.002 42 HG13 VAL 6 3HG1 VAL 6 1.774 -0.235 -6.256 43 HG21 VAL 6 3HG2 VAL 6 2.848 1.192 -2.395 44 HG22 VAL 6 1HG2 VAL 6 1.184 0.682 -2.675 45 HG23 VAL 6 2HG2 VAL 6 1.801 2.139 -3.452 46 H ABA 7 H ABA 7 5.391 -1.329 -4.508 47 HA ABA 7 HA ABA 7 6.205 -1.657 -1.803 48 HB3 ABA 7 1HB ABA 7 7.201 -3.149 -3.415 49 HB2 ABA 7 2HB ABA 7 8.404 -2.032 -2.781 50 HG1 ABA 7 3HG ABA 7 7.108 -1.795 -5.459 51 HG3 ABA 7 1HG ABA 7 8.732 -2.397 -5.143 52 HG2 ABA 7 2HG ABA 7 8.329 -0.715 -4.791 53 H ARG 8 H ARG 8 7.004 -0.208 -0.589 54 HA ARG 8 HA ARG 8 8.183 2.215 -1.702 55 HB2 ARG 8 2HB ARG 8 5.739 2.648 -1.169 56 HB3 ARG 8 1HB ARG 8 6.088 2.230 0.498 57 HG2 ARG 8 2HG ARG 8 6.021 4.622 0.284 58 HG3 ARG 8 1HG ARG 8 7.686 4.130 0.592 59 HD2 ARG 8 2HD ARG 8 8.185 4.333 -1.809 60 HD3 ARG 8 1HD ARG 8 6.515 4.800 -2.110 61 HE ARG 8 HE ARG 8 7.342 6.609 -0.283 62 HH11 ARG 8 1HH1 ARG 8 8.588 5.660 -3.460 63 HH12 ARG 8 2HH1 ARG 8 9.290 7.158 -3.794 64 HH21 ARG 8 1HH2 ARG 8 8.241 8.663 -0.730 65 HH22 ARG 8 2HH2 ARG 8 9.092 8.975 -2.166 66 H ARG 9 H ARG 9 10.040 2.601 -0.639 67 HA ARG 9 HA ARG 9 11.758 2.443 0.771 68 HB2 ARG 9 2HB ARG 9 10.121 3.421 2.395 69 HB3 ARG 9 1HB ARG 9 9.670 1.794 2.864 70 HG2 ARG 9 2HG ARG 9 11.898 1.418 3.769 71 HG3 ARG 9 1HG ARG 9 12.390 3.024 3.233 72 HD2 ARG 9 2HD ARG 9 10.181 2.443 5.200 73 HD3 ARG 9 1HD ARG 9 11.809 2.970 5.622 74 HE ARG 9 HE ARG 9 11.305 4.990 4.284 75 HH11 ARG 9 1HH1 ARG 9 8.567 3.155 5.557 76 HH12 ARG 9 2HH1 ARG 9 7.621 4.514 5.916 77 HH21 ARG 9 1HH2 ARG 9 10.029 6.814 4.645 78 HH22 ARG 9 2HH2 ARG 9 8.456 6.705 5.319 79 H GLY 10 H GLY 10 10.749 0.167 -0.691 80 HA2 GLY 10 2HA GLY 10 11.876 -1.829 -1.123 81 HA3 GLY 10 1HA GLY 10 12.557 -1.758 0.492 82 H VAL 11 H VAL 11 9.378 -1.267 1.002 83 HA VAL 11 HA VAL 11 8.961 -4.152 1.258 84 HB VAL 11 HB VAL 11 7.548 -3.778 3.190 85 HG11 VAL 11 1HG1 VAL 11 9.882 -4.057 3.628 86 HG12 VAL 11 2HG1 VAL 11 9.187 -2.940 4.801 87 HG13 VAL 11 3HG1 VAL 11 10.156 -2.325 3.459 88 HG21 VAL 11 3HG2 VAL 11 7.282 -1.563 4.235 89 HG22 VAL 11 1HG2 VAL 11 6.564 -1.619 2.622 90 HG23 VAL 11 2HG2 VAL 11 8.122 -0.831 2.865 91 H ABA 12 H ABA 12 7.175 -5.056 0.456 92 HA ABA 12 HA ABA 12 5.498 -3.476 -1.250 93 HB3 ABA 12 1HB ABA 12 4.314 -5.632 -1.645 94 HB2 ABA 12 2HB ABA 12 5.325 -6.384 -0.419 95 HG1 ABA 12 3HG ABA 12 6.121 -6.913 -2.634 96 HG3 ABA 12 1HG ABA 12 7.303 -5.939 -1.764 97 HG2 ABA 12 2HG ABA 12 6.293 -5.197 -3.003 98 H ARG 13 H ARG 13 4.033 -2.245 -0.389 99 HA ARG 13 HA ARG 13 2.919 -3.010 2.179 100 HB2 ARG 13 2HB ARG 13 4.102 -0.828 1.936 101 HB3 ARG 13 1HB ARG 13 2.881 -0.337 0.773 102 HG2 ARG 13 2HG ARG 13 2.445 0.626 2.959 103 HG3 ARG 13 1HG ARG 13 1.166 -0.506 2.507 104 HD2 ARG 13 2HD ARG 13 2.133 -2.219 3.913 105 HD3 ARG 13 1HD ARG 13 3.501 -1.173 4.299 106 HE ARG 13 HE ARG 13 1.549 0.322 5.164 107 HH11 ARG 13 1HH1 ARG 13 1.845 -3.192 5.543 108 HH12 ARG 13 2HH1 ARG 13 1.042 -3.226 7.037 109 HH21 ARG 13 1HH2 ARG 13 0.494 0.264 7.214 110 HH22 ARG 13 2HH2 ARG 13 0.261 -1.213 8.024 111 H ABA 14 H ABA 14 1.062 -4.006 2.039 112 HA ABA 14 HA ABA 14 -0.759 -3.472 -0.170 113 HB3 ABA 14 1HB ABA 14 -0.891 -5.575 2.011 114 HB2 ABA 14 2HB ABA 14 -0.212 -5.838 0.411 115 HG1 ABA 14 3HG ABA 14 -2.453 -6.757 0.568 116 HG3 ABA 14 1HG ABA 14 -2.399 -5.433 -0.595 117 HG2 ABA 14 2HG ABA 14 -3.087 -5.170 1.006 118 H VAL 15 H VAL 15 -1.697 -1.615 0.290 119 HA VAL 15 HA VAL 15 -2.781 -1.082 2.947 120 HB VAL 15 HB VAL 15 -2.814 0.652 0.455 121 HG11 VAL 15 1HG1 VAL 15 -4.572 1.254 2.024 122 HG12 VAL 15 2HG1 VAL 15 -3.323 2.499 1.981 123 HG13 VAL 15 3HG1 VAL 15 -3.390 1.362 3.327 124 HG21 VAL 15 3HG2 VAL 15 -0.953 0.740 2.830 125 HG22 VAL 15 1HG2 VAL 15 -0.992 1.910 1.510 126 HG23 VAL 15 2HG2 VAL 15 -0.532 0.237 1.193 127 H CYS 16 H CYS 16 -4.743 -1.935 3.354 128 HA CYS 16 HA CYS 16 -6.671 -2.083 1.154 129 HB2 CYS 16 2HB CYS 16 -6.537 -3.734 3.691 130 HB3 CYS 16 1HB CYS 16 -7.792 -3.849 2.468 131 H ARG 17 H ARG 17 -8.200 -0.632 1.217 132 HA ARG 17 HA ARG 17 -9.549 -0.130 3.692 133 HB2 ARG 17 2HB ARG 17 -9.568 2.349 3.337 134 HB3 ARG 17 1HB ARG 17 -8.008 1.707 3.805 135 HG2 ARG 17 2HG ARG 17 -7.329 1.795 1.421 136 HG3 ARG 17 1HG ARG 17 -8.873 2.561 1.049 137 HD2 ARG 17 2HD ARG 17 -7.138 4.250 1.299 138 HD3 ARG 17 1HD ARG 17 -8.318 4.379 2.601 139 HE ARG 17 HE ARG 17 -6.467 2.823 3.711 140 HH11 ARG 17 1HH1 ARG 17 -6.103 5.875 1.948 141 HH12 ARG 17 2HH1 ARG 17 -4.749 6.396 2.817 142 HH21 ARG 17 1HH2 ARG 17 -4.610 3.503 4.904 143 HH22 ARG 17 2HH2 ARG 17 -3.870 4.995 4.572 144 H ARG 18 H ARG 18 -11.658 0.123 3.435 145 HA ARG 18 HA ARG 18 -13.693 0.037 2.501 146 HB2 ARG 18 2HB ARG 18 -13.047 2.298 1.627 147 HB3 ARG 18 1HB ARG 18 -12.415 1.542 0.180 148 HG2 ARG 18 2HG ARG 18 -14.596 2.554 -0.229 149 HG3 ARG 18 1HG ARG 18 -14.665 0.799 -0.410 150 HD2 ARG 18 2HD ARG 18 -15.585 0.597 1.830 151 HD3 ARG 18 1HD ARG 18 -15.522 2.347 2.025 152 HE ARG 18 HE ARG 18 -16.975 1.941 -0.234 153 HH11 ARG 18 1HH1 ARG 18 -17.250 0.822 3.120 154 HH12 ARG 18 2HH1 ARG 18 -18.926 0.675 3.103 155 HH21 ARG 18 1HH2 ARG 18 -19.320 1.774 -0.260 156 HH22 ARG 18 2HH2 ARG 18 -20.158 1.282 1.131 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -12.129 -2.354 1.402 2 HA2 GLY 1 2HA GLY 1 -12.215 -4.477 0.435 3 HA3 GLY 1 1HA GLY 1 -13.370 -3.869 -0.747 4 H VAL 2 H VAL 2 -11.093 -1.603 -0.720 5 HA VAL 2 HA VAL 2 -9.840 -2.718 -3.099 6 HB VAL 2 HB VAL 2 -9.791 0.115 -2.018 7 HG11 VAL 2 1HG1 VAL 2 -7.880 -0.365 -3.438 8 HG12 VAL 2 2HG1 VAL 2 -8.984 0.746 -4.243 9 HG13 VAL 2 3HG1 VAL 2 -8.953 -0.953 -4.708 10 HG21 VAL 2 3HG2 VAL 2 -11.487 -1.067 -4.215 11 HG22 VAL 2 1HG2 VAL 2 -11.391 0.647 -3.815 12 HG23 VAL 2 2HG2 VAL 2 -12.054 -0.492 -2.645 13 H CYS 3 H CYS 3 -7.848 -3.453 -2.987 14 HA CYS 3 HA CYS 3 -6.183 -2.674 -0.714 15 HB2 CYS 3 2HB CYS 3 -6.266 -5.265 -2.257 16 HB3 CYS 3 1HB CYS 3 -5.047 -4.867 -1.047 17 H ARG 4 H ARG 4 -4.425 -1.618 -1.159 18 HA ARG 4 HA ARG 4 -3.368 -1.760 -3.879 19 HB2 ARG 4 2HB ARG 4 -3.640 0.702 -2.147 20 HB3 ARG 4 1HB ARG 4 -2.728 0.648 -3.652 21 HG2 ARG 4 2HG ARG 4 -4.747 0.100 -4.886 22 HG3 ARG 4 1HG ARG 4 -5.670 0.079 -3.387 23 HD2 ARG 4 2HD ARG 4 -5.214 2.437 -3.058 24 HD3 ARG 4 1HD ARG 4 -4.235 2.479 -4.525 25 HE ARG 4 HE ARG 4 -6.676 1.480 -5.258 26 HH11 ARG 4 1HH1 ARG 4 -5.501 4.539 -3.918 27 HH12 ARG 4 2HH1 ARG 4 -6.775 5.462 -4.606 28 HH21 ARG 4 1HH2 ARG 4 -8.423 2.766 -6.144 29 HH22 ARG 4 2HH2 ARG 4 -8.445 4.445 -5.881 30 H ABA 5 H ABA 5 -1.378 -2.352 -3.999 31 HA ABA 5 HA ABA 5 0.174 -2.627 -1.560 32 HB3 ABA 5 1HB ABA 5 0.517 -3.822 -4.315 33 HB2 ABA 5 2HB ABA 5 -0.166 -4.636 -2.916 34 HG1 ABA 5 3HG ABA 5 2.121 -5.335 -3.321 35 HG3 ABA 5 1HG ABA 5 1.976 -4.507 -1.772 36 HG2 ABA 5 2HG ABA 5 2.665 -3.665 -3.157 37 H VAL 6 H VAL 6 1.420 -0.983 -1.129 38 HA VAL 6 HA VAL 6 2.707 0.342 -3.362 39 HB VAL 6 HB VAL 6 3.202 2.239 -1.814 40 HG11 VAL 6 1HG1 VAL 6 1.267 2.337 -3.249 41 HG12 VAL 6 2HG1 VAL 6 0.927 3.136 -1.715 42 HG13 VAL 6 3HG1 VAL 6 0.285 1.520 -2.034 43 HG21 VAL 6 3HG2 VAL 6 1.438 0.740 0.142 44 HG22 VAL 6 1HG2 VAL 6 1.991 2.408 0.337 45 HG23 VAL 6 2HG2 VAL 6 3.155 1.085 0.330 46 H ABA 7 H ABA 7 4.630 -0.323 -3.785 47 HA ABA 7 HA ABA 7 6.229 -1.499 -1.657 48 HB3 ABA 7 1HB ABA 7 6.813 -1.336 -4.630 49 HB2 ABA 7 2HB ABA 7 6.007 -2.696 -3.857 50 HG1 ABA 7 3HG ABA 7 8.818 -1.776 -3.298 51 HG3 ABA 7 1HG ABA 7 8.351 -3.186 -4.253 52 HG2 ABA 7 2HG ABA 7 8.007 -3.134 -2.523 53 H ARG 8 H ARG 8 7.156 0.015 -0.508 54 HA ARG 8 HA ARG 8 8.376 2.226 -1.958 55 HB2 ARG 8 2HB ARG 8 8.220 3.563 0.148 56 HB3 ARG 8 1HB ARG 8 6.667 3.131 -0.544 57 HG2 ARG 8 2HG ARG 8 6.429 1.369 1.157 58 HG3 ARG 8 1HG ARG 8 7.986 1.844 1.845 59 HD2 ARG 8 2HD ARG 8 5.520 3.582 1.629 60 HD3 ARG 8 1HD ARG 8 6.140 2.840 3.102 61 HE ARG 8 HE ARG 8 8.105 4.484 1.849 62 HH11 ARG 8 1HH1 ARG 8 5.252 4.697 3.958 63 HH12 ARG 8 2HH1 ARG 8 5.690 6.226 4.572 64 HH21 ARG 8 1HH2 ARG 8 8.680 6.516 2.744 65 HH22 ARG 8 2HH2 ARG 8 7.674 7.271 3.902 66 H ARG 9 H ARG 9 10.185 1.303 -2.438 67 HA ARG 9 HA ARG 9 12.311 0.701 -2.340 68 HB2 ARG 9 2HB ARG 9 12.423 2.886 -1.174 69 HB3 ARG 9 1HB ARG 9 12.310 2.055 0.362 70 HG2 ARG 9 2HG ARG 9 14.623 2.717 -0.204 71 HG3 ARG 9 1HG ARG 9 14.444 0.973 -0.014 72 HD2 ARG 9 2HD ARG 9 15.840 1.689 -1.958 73 HD3 ARG 9 1HD ARG 9 14.493 0.639 -2.381 74 HE ARG 9 HE ARG 9 13.563 3.210 -2.674 75 HH11 ARG 9 1HH1 ARG 9 16.295 1.422 -4.070 76 HH12 ARG 9 2HH1 ARG 9 16.164 2.142 -5.598 77 HH21 ARG 9 1HH2 ARG 9 13.358 4.145 -4.772 78 HH22 ARG 9 2HH2 ARG 9 14.453 3.736 -6.021 79 H GLY 10 H GLY 10 11.172 -1.403 -2.144 80 HA2 GLY 10 2HA GLY 10 11.732 -3.562 -1.533 81 HA3 GLY 10 1HA GLY 10 12.611 -2.929 -0.147 82 H VAL 11 H VAL 11 10.226 -1.319 0.661 83 HA VAL 11 HA VAL 11 9.010 -3.416 2.221 84 HB VAL 11 HB VAL 11 8.531 -0.417 2.303 85 HG11 VAL 11 1HG1 VAL 11 6.649 -1.673 3.240 86 HG12 VAL 11 2HG1 VAL 11 7.532 -0.825 4.508 87 HG13 VAL 11 3HG1 VAL 11 7.754 -2.561 4.292 88 HG21 VAL 11 3HG2 VAL 11 10.829 -0.973 2.862 89 HG22 VAL 11 1HG2 VAL 11 10.276 -2.158 4.045 90 HG23 VAL 11 2HG2 VAL 11 9.957 -0.443 4.301 91 H ABA 12 H ABA 12 7.562 -4.530 1.203 92 HA ABA 12 HA ABA 12 5.666 -3.383 -0.650 93 HB3 ABA 12 1HB ABA 12 6.001 -6.195 0.441 94 HB2 ABA 12 2HB ABA 12 6.683 -5.605 -1.066 95 HG1 ABA 12 3HG ABA 12 4.450 -5.308 -1.976 96 HG3 ABA 12 1HG ABA 12 3.758 -5.900 -0.468 97 HG2 ABA 12 2HG ABA 12 4.739 -6.970 -1.471 98 H ARG 13 H ARG 13 4.239 -2.110 0.461 99 HA ARG 13 HA ARG 13 2.950 -3.225 2.853 100 HB2 ARG 13 2HB ARG 13 4.143 -1.073 3.111 101 HB3 ARG 13 1HB ARG 13 3.129 -0.373 1.865 102 HG2 ARG 13 2HG ARG 13 2.351 0.338 4.027 103 HG3 ARG 13 1HG ARG 13 1.157 -0.747 3.315 104 HD2 ARG 13 2HD ARG 13 1.535 -1.210 5.695 105 HD3 ARG 13 1HD ARG 13 1.982 -2.584 4.679 106 HE ARG 13 HE ARG 13 4.195 -0.895 5.169 107 HH11 ARG 13 1HH1 ARG 13 2.205 -3.327 6.783 108 HH12 ARG 13 2HH1 ARG 13 3.457 -3.884 7.795 109 HH21 ARG 13 1HH2 ARG 13 5.922 -1.659 6.612 110 HH22 ARG 13 2HH2 ARG 13 5.568 -2.917 7.698 111 H ABA 14 H ABA 14 1.043 -4.212 2.293 112 HA ABA 14 HA ABA 14 -0.539 -2.967 0.175 113 HB3 ABA 14 1HB ABA 14 -0.866 -5.694 1.452 114 HB2 ABA 14 2HB ABA 14 -0.080 -5.388 -0.095 115 HG1 ABA 14 3HG ABA 14 -2.345 -6.219 -0.401 116 HG3 ABA 14 1HG ABA 14 -2.194 -4.569 -1.008 117 HG2 ABA 14 2HG ABA 14 -2.979 -4.874 0.540 118 H VAL 15 H VAL 15 -1.938 -1.571 0.795 119 HA VAL 15 HA VAL 15 -3.159 -1.846 3.436 120 HB VAL 15 HB VAL 15 -3.865 0.516 3.203 121 HG11 VAL 15 1HG1 VAL 15 -0.916 0.082 2.759 122 HG12 VAL 15 2HG1 VAL 15 -1.759 0.041 4.308 123 HG13 VAL 15 3HG1 VAL 15 -1.644 1.552 3.406 124 HG21 VAL 15 3HG2 VAL 15 -2.292 0.483 0.617 125 HG22 VAL 15 1HG2 VAL 15 -2.972 1.918 1.385 126 HG23 VAL 15 2HG2 VAL 15 -4.040 0.660 0.763 127 H CYS 16 H CYS 16 -5.413 -1.766 3.659 128 HA CYS 16 HA CYS 16 -6.936 -2.050 1.180 129 HB2 CYS 16 2HB CYS 16 -7.122 -3.895 3.574 130 HB3 CYS 16 1HB CYS 16 -8.227 -3.897 2.213 131 H ARG 17 H ARG 17 -8.776 -0.963 1.174 132 HA ARG 17 HA ARG 17 -10.348 -0.605 3.514 133 HB2 ARG 17 2HB ARG 17 -10.448 1.844 3.490 134 HB3 ARG 17 1HB ARG 17 -8.798 1.323 3.789 135 HG2 ARG 17 2HG ARG 17 -8.198 1.833 1.501 136 HG3 ARG 17 1HG ARG 17 -9.882 2.241 1.146 137 HD2 ARG 17 2HD ARG 17 -9.766 4.021 2.836 138 HD3 ARG 17 1HD ARG 17 -8.059 3.655 3.083 139 HE ARG 17 HE ARG 17 -8.465 4.071 0.378 140 HH11 ARG 17 1HH1 ARG 17 -8.602 5.987 3.361 141 HH12 ARG 17 2HH1 ARG 17 -8.155 7.441 2.617 142 HH21 ARG 17 1HH2 ARG 17 -7.919 6.072 -0.649 143 HH22 ARG 17 2HH2 ARG 17 -7.799 7.509 0.262 144 H ARG 18 H ARG 18 -12.471 -0.409 2.967 145 HA ARG 18 HA ARG 18 -14.371 -0.328 1.740 146 HB2 ARG 18 2HB ARG 18 -13.459 1.901 0.969 147 HB3 ARG 18 1HB ARG 18 -12.702 1.085 -0.379 148 HG2 ARG 18 2HG ARG 18 -14.671 2.160 -1.164 149 HG3 ARG 18 1HG ARG 18 -14.985 0.424 -1.163 150 HD2 ARG 18 2HD ARG 18 -16.898 1.612 -0.311 151 HD3 ARG 18 1HD ARG 18 -16.163 0.692 1.000 152 HE ARG 18 HE ARG 18 -14.979 3.054 1.290 153 HH11 ARG 18 1HH1 ARG 18 -18.400 2.297 0.826 154 HH12 ARG 18 2HH1 ARG 18 -18.960 3.638 1.709 155 HH21 ARG 18 1HH2 ARG 18 -15.715 4.876 2.472 156 HH22 ARG 18 2HH2 ARG 18 -17.386 5.159 2.692 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -11.817 -1.653 1.056 2 HA2 GLY 1 2HA GLY 1 -12.578 -3.740 0.301 3 HA3 GLY 1 1HA GLY 1 -13.555 -2.921 -0.910 4 H VAL 2 H VAL 2 -10.630 -1.418 -1.020 5 HA VAL 2 HA VAL 2 -9.701 -3.289 -3.060 6 HB VAL 2 HB VAL 2 -10.613 -1.182 -4.037 7 HG11 VAL 2 1HG1 VAL 2 -10.113 0.406 -2.315 8 HG12 VAL 2 2HG1 VAL 2 -9.407 0.932 -3.844 9 HG13 VAL 2 3HG1 VAL 2 -8.383 0.216 -2.597 10 HG21 VAL 2 3HG2 VAL 2 -7.652 -1.554 -4.425 11 HG22 VAL 2 1HG2 VAL 2 -8.720 -0.658 -5.507 12 HG23 VAL 2 2HG2 VAL 2 -8.946 -2.393 -5.280 13 H CYS 3 H CYS 3 -7.504 -3.745 -3.131 14 HA CYS 3 HA CYS 3 -6.057 -2.876 -0.752 15 HB2 CYS 3 2HB CYS 3 -5.679 -5.346 -2.438 16 HB3 CYS 3 1HB CYS 3 -4.761 -4.939 -0.995 17 H ARG 4 H ARG 4 -4.255 -1.848 -0.865 18 HA ARG 4 HA ARG 4 -3.038 -1.441 -3.511 19 HB2 ARG 4 2HB ARG 4 -2.983 0.386 -1.101 20 HB3 ARG 4 1HB ARG 4 -2.203 0.689 -2.640 21 HG2 ARG 4 2HG ARG 4 -5.167 0.531 -2.148 22 HG3 ARG 4 1HG ARG 4 -4.219 1.996 -2.389 23 HD2 ARG 4 2HD ARG 4 -3.609 1.167 -4.653 24 HD3 ARG 4 1HD ARG 4 -4.695 -0.203 -4.395 25 HE ARG 4 HE ARG 4 -5.811 2.420 -4.014 26 HH11 ARG 4 1HH1 ARG 4 -5.381 -0.242 -6.324 27 HH12 ARG 4 2HH1 ARG 4 -6.737 0.150 -7.271 28 HH21 ARG 4 1HH2 ARG 4 -7.672 2.955 -5.303 29 HH22 ARG 4 2HH2 ARG 4 -8.063 2.050 -6.686 30 H ABA 5 H ABA 5 -1.227 -2.560 -3.614 31 HA ABA 5 HA ABA 5 0.275 -3.146 -1.212 32 HB3 ABA 5 1HB ABA 5 0.841 -3.888 -4.105 33 HB2 ABA 5 2HB ABA 5 -0.026 -4.910 -2.968 34 HG1 ABA 5 3HG ABA 5 1.969 -5.069 -1.574 35 HG3 ABA 5 1HG ABA 5 2.846 -4.050 -2.717 36 HG2 ABA 5 2HG ABA 5 2.273 -5.644 -3.213 37 H VAL 6 H VAL 6 0.998 -1.204 -0.599 38 HA VAL 6 HA VAL 6 2.302 0.479 -2.507 39 HB VAL 6 HB VAL 6 1.097 1.635 -0.907 40 HG11 VAL 6 1HG1 VAL 6 1.612 1.609 1.552 41 HG12 VAL 6 2HG1 VAL 6 2.776 0.317 1.256 42 HG13 VAL 6 3HG1 VAL 6 1.058 0.039 0.965 43 HG21 VAL 6 3HG2 VAL 6 4.022 1.992 -0.321 44 HG22 VAL 6 1HG2 VAL 6 2.773 3.154 0.131 45 HG23 VAL 6 2HG2 VAL 6 3.070 2.792 -1.569 46 H ABA 7 H ABA 7 4.206 0.676 -2.846 47 HA ABA 7 HA ABA 7 6.082 -1.112 -1.450 48 HB3 ABA 7 1HB ABA 7 6.007 -0.515 -4.415 49 HB2 ABA 7 2HB ABA 7 5.490 -2.013 -3.659 50 HG1 ABA 7 3HG ABA 7 7.771 -2.438 -2.910 51 HG3 ABA 7 1HG ABA 7 8.287 -0.928 -3.656 52 HG2 ABA 7 2HG ABA 7 7.680 -2.247 -4.660 53 H ARG 8 H ARG 8 7.049 0.295 -0.216 54 HA ARG 8 HA ARG 8 7.927 2.866 -1.264 55 HB2 ARG 8 2HB ARG 8 8.106 1.696 1.524 56 HB3 ARG 8 1HB ARG 8 8.518 3.347 1.093 57 HG2 ARG 8 2HG ARG 8 6.173 3.709 0.405 58 HG3 ARG 8 1HG ARG 8 5.799 2.070 0.934 59 HD2 ARG 8 2HD ARG 8 5.161 3.586 2.665 60 HD3 ARG 8 1HD ARG 8 6.580 2.692 3.210 61 HE ARG 8 HE ARG 8 7.576 4.960 2.087 62 HH11 ARG 8 1HH1 ARG 8 5.299 4.265 4.700 63 HH12 ARG 8 2HH1 ARG 8 5.581 5.738 5.522 64 HH21 ARG 8 1HH2 ARG 8 7.941 7.007 3.257 65 HH22 ARG 8 2HH2 ARG 8 7.075 7.280 4.707 66 H ARG 9 H ARG 9 9.269 1.577 -2.729 67 HA ARG 9 HA ARG 9 11.129 0.669 -3.490 68 HB2 ARG 9 2HB ARG 9 11.957 2.917 -2.914 69 HB3 ARG 9 1HB ARG 9 12.386 2.358 -1.307 70 HG2 ARG 9 2HG ARG 9 14.136 1.004 -2.146 71 HG3 ARG 9 1HG ARG 9 13.584 1.195 -3.805 72 HD2 ARG 9 2HD ARG 9 15.540 2.574 -3.395 73 HD3 ARG 9 1HD ARG 9 14.129 3.567 -3.722 74 HE ARG 9 HE ARG 9 14.050 3.680 -1.137 75 HH11 ARG 9 1HH1 ARG 9 16.970 3.724 -3.131 76 HH12 ARG 9 2HH1 ARG 9 17.870 4.676 -2.054 77 HH21 ARG 9 1HH2 ARG 9 15.269 5.041 0.321 78 HH22 ARG 9 2HH2 ARG 9 16.879 5.460 -0.033 79 H GLY 10 H GLY 10 10.321 -1.363 -2.805 80 HA2 GLY 10 2HA GLY 10 11.155 -3.470 -2.212 81 HA3 GLY 10 1HA GLY 10 12.264 -2.699 -1.086 82 H VAL 11 H VAL 11 10.275 -1.099 0.221 83 HA VAL 11 HA VAL 11 9.286 -3.122 2.024 84 HB VAL 11 HB VAL 11 8.887 -0.116 2.149 85 HG11 VAL 11 1HG1 VAL 11 8.463 -0.484 4.543 86 HG12 VAL 11 2HG1 VAL 11 8.625 -2.224 4.292 87 HG13 VAL 11 3HG1 VAL 11 7.301 -1.347 3.532 88 HG21 VAL 11 3HG2 VAL 11 11.016 -1.805 3.467 89 HG22 VAL 11 1HG2 VAL 11 10.764 -0.078 3.735 90 HG23 VAL 11 2HG2 VAL 11 11.268 -0.662 2.147 91 H ABA 12 H ABA 12 7.641 -4.195 1.155 92 HA ABA 12 HA ABA 12 5.464 -2.754 -0.160 93 HB3 ABA 12 1HB ABA 12 4.703 -4.992 -0.859 94 HB2 ABA 12 2HB ABA 12 6.044 -5.714 0.021 95 HG1 ABA 12 3HG ABA 12 6.526 -5.616 -2.334 96 HG3 ABA 12 1HG ABA 12 7.620 -4.558 -1.448 97 HG2 ABA 12 2HG ABA 12 6.260 -3.878 -2.343 98 H ARG 13 H ARG 13 3.555 -2.532 0.758 99 HA ARG 13 HA ARG 13 2.782 -4.286 2.960 100 HB2 ARG 13 2HB ARG 13 3.751 -2.189 3.910 101 HB3 ARG 13 1HB ARG 13 2.551 -1.266 3.027 102 HG2 ARG 13 2HG ARG 13 0.771 -2.300 4.291 103 HG3 ARG 13 1HG ARG 13 1.938 -3.315 5.142 104 HD2 ARG 13 2HD ARG 13 3.006 -1.260 6.027 105 HD3 ARG 13 1HD ARG 13 1.745 -0.308 5.244 106 HE ARG 13 HE ARG 13 0.420 -2.138 6.752 107 HH11 ARG 13 1HH1 ARG 13 2.781 0.440 7.465 108 HH12 ARG 13 2HH1 ARG 13 2.208 0.681 9.040 109 HH21 ARG 13 1HH2 ARG 13 -0.324 -1.760 8.949 110 HH22 ARG 13 2HH2 ARG 13 0.422 -0.535 9.886 111 H ABA 14 H ABA 14 0.771 -5.049 2.576 112 HA ABA 14 HA ABA 14 -0.731 -3.796 0.419 113 HB3 ABA 14 1HB ABA 14 -1.149 -6.473 1.776 114 HB2 ABA 14 2HB ABA 14 -0.254 -6.239 0.283 115 HG1 ABA 14 3HG ABA 14 -2.287 -5.443 -0.810 116 HG3 ABA 14 1HG ABA 14 -3.182 -5.690 0.688 117 HG2 ABA 14 2HG ABA 14 -2.490 -7.072 -0.161 118 H VAL 15 H VAL 15 -1.898 -2.194 1.169 119 HA VAL 15 HA VAL 15 -3.382 -2.626 3.649 120 HB VAL 15 HB VAL 15 -1.997 -0.614 3.732 121 HG11 VAL 15 1HG1 VAL 15 -1.800 -0.115 1.366 122 HG12 VAL 15 2HG1 VAL 15 -2.345 1.308 2.251 123 HG13 VAL 15 3HG1 VAL 15 -3.496 0.363 1.309 124 HG21 VAL 15 3HG2 VAL 15 -4.921 0.087 3.475 125 HG22 VAL 15 1HG2 VAL 15 -3.707 1.076 4.286 126 HG23 VAL 15 2HG2 VAL 15 -4.117 -0.520 4.921 127 H CYS 16 H CYS 16 -5.490 -2.992 3.562 128 HA CYS 16 HA CYS 16 -6.806 -2.500 1.001 129 HB2 CYS 16 2HB CYS 16 -7.595 -4.412 3.196 130 HB3 CYS 16 1HB CYS 16 -8.376 -4.244 1.625 131 H ARG 17 H ARG 17 -8.185 -0.980 0.838 132 HA ARG 17 HA ARG 17 -9.704 -0.109 3.159 133 HB2 ARG 17 2HB ARG 17 -7.661 1.276 3.098 134 HB3 ARG 17 1HB ARG 17 -7.992 1.685 1.425 135 HG2 ARG 17 2HG ARG 17 -10.011 2.870 2.112 136 HG3 ARG 17 1HG ARG 17 -9.687 2.448 3.795 137 HD2 ARG 17 2HD ARG 17 -7.560 3.639 3.694 138 HD3 ARG 17 1HD ARG 17 -7.862 4.056 2.009 139 HE ARG 17 HE ARG 17 -10.002 4.944 3.552 140 HH11 ARG 17 1HH1 ARG 17 -6.556 5.686 3.144 141 HH12 ARG 17 2HH1 ARG 17 -6.734 7.329 3.570 142 HH21 ARG 17 1HH2 ARG 17 -10.202 7.188 4.138 143 HH22 ARG 17 2HH2 ARG 17 -8.810 8.189 4.146 144 H ARG 18 H ARG 18 -11.753 0.459 2.549 145 HA ARG 18 HA ARG 18 -13.586 0.917 1.306 146 HB2 ARG 18 2HB ARG 18 -12.104 2.713 0.291 147 HB3 ARG 18 1HB ARG 18 -11.710 1.583 -0.983 148 HG2 ARG 18 2HG ARG 18 -14.137 1.525 -1.585 149 HG3 ARG 18 1HG ARG 18 -14.403 2.813 -0.410 150 HD2 ARG 18 2HD ARG 18 -12.644 2.916 -2.855 151 HD3 ARG 18 1HD ARG 18 -14.147 3.801 -2.593 152 HE ARG 18 HE ARG 18 -12.583 4.567 -0.532 153 HH11 ARG 18 1HH1 ARG 18 -12.195 4.672 -4.049 154 HH12 ARG 18 2HH1 ARG 18 -11.109 5.976 -4.025 155 HH21 ARG 18 1HH2 ARG 18 -11.065 6.313 -0.497 156 HH22 ARG 18 2HH2 ARG 18 -10.413 6.916 -1.950 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -11.921 -1.589 1.454 2 HA2 GLY 1 2HA GLY 1 -12.670 -3.525 0.401 3 HA3 GLY 1 1HA GLY 1 -13.455 -2.544 -0.827 4 H VAL 2 H VAL 2 -10.676 -1.020 -0.836 5 HA VAL 2 HA VAL 2 -9.744 -2.842 -2.882 6 HB VAL 2 HB VAL 2 -10.352 -0.640 -3.757 7 HG11 VAL 2 1HG1 VAL 2 -9.034 1.365 -3.296 8 HG12 VAL 2 2HG1 VAL 2 -8.158 0.485 -2.040 9 HG13 VAL 2 3HG1 VAL 2 -9.886 0.776 -1.866 10 HG21 VAL 2 3HG2 VAL 2 -8.310 -0.160 -5.032 11 HG22 VAL 2 1HG2 VAL 2 -8.651 -1.886 -4.943 12 HG23 VAL 2 2HG2 VAL 2 -7.391 -1.184 -3.927 13 H CYS 3 H CYS 3 -7.955 -3.913 -2.708 14 HA CYS 3 HA CYS 3 -6.085 -3.203 -0.594 15 HB2 CYS 3 2HB CYS 3 -6.365 -5.734 -2.239 16 HB3 CYS 3 1HB CYS 3 -5.159 -5.477 -0.983 17 H ARG 4 H ARG 4 -4.322 -2.230 -1.082 18 HA ARG 4 HA ARG 4 -3.300 -2.344 -3.834 19 HB2 ARG 4 2HB ARG 4 -4.458 -0.236 -3.481 20 HB3 ARG 4 1HB ARG 4 -3.550 0.051 -2.017 21 HG2 ARG 4 2HG ARG 4 -2.779 1.475 -3.842 22 HG3 ARG 4 1HG ARG 4 -1.512 0.372 -3.327 23 HD2 ARG 4 2HD ARG 4 -3.271 -0.341 -5.648 24 HD3 ARG 4 1HD ARG 4 -1.942 0.789 -5.870 25 HE ARG 4 HE ARG 4 -0.592 -1.138 -4.797 26 HH11 ARG 4 1HH1 ARG 4 -3.221 -1.534 -7.133 27 HH12 ARG 4 2HH1 ARG 4 -2.597 -2.977 -7.781 28 HH21 ARG 4 1HH2 ARG 4 0.290 -3.091 -5.761 29 HH22 ARG 4 2HH2 ARG 4 -0.582 -3.870 -6.993 30 H ABA 5 H ABA 5 -1.515 -3.443 -3.693 31 HA ABA 5 HA ABA 5 0.311 -3.170 -1.441 32 HB3 ABA 5 1HB ABA 5 0.504 -4.861 -3.952 33 HB2 ABA 5 2HB ABA 5 -0.176 -5.418 -2.430 34 HG1 ABA 5 3HG ABA 5 1.990 -5.108 -1.345 35 HG3 ABA 5 1HG ABA 5 2.677 -4.576 -2.878 36 HG2 ABA 5 2HG ABA 5 2.083 -6.234 -2.698 37 H VAL 6 H VAL 6 1.313 -1.317 -1.511 38 HA VAL 6 HA VAL 6 2.458 -0.364 -4.037 39 HB VAL 6 HB VAL 6 2.589 0.975 -1.343 40 HG11 VAL 6 1HG1 VAL 6 4.176 1.846 -2.913 41 HG12 VAL 6 2HG1 VAL 6 2.919 3.050 -2.610 42 HG13 VAL 6 3HG1 VAL 6 2.903 2.116 -4.102 43 HG21 VAL 6 3HG2 VAL 6 0.466 1.393 -3.444 44 HG22 VAL 6 1HG2 VAL 6 0.667 2.383 -1.999 45 HG23 VAL 6 2HG2 VAL 6 0.226 0.683 -1.845 46 H ABA 7 H ABA 7 4.651 -0.193 -4.209 47 HA ABA 7 HA ABA 7 6.197 -1.675 -2.199 48 HB3 ABA 7 1HB ABA 7 7.022 -0.908 -5.020 49 HB2 ABA 7 2HB ABA 7 6.335 -2.465 -4.581 50 HG1 ABA 7 3HG ABA 7 8.746 -2.615 -4.805 51 HG3 ABA 7 1HG ABA 7 8.259 -2.909 -3.136 52 HG2 ABA 7 2HG ABA 7 8.953 -1.353 -3.592 53 H ARG 8 H ARG 8 6.684 -0.202 -0.687 54 HA ARG 8 HA ARG 8 7.855 2.341 -1.583 55 HB2 ARG 8 2HB ARG 8 5.675 2.637 -0.487 56 HB3 ARG 8 1HB ARG 8 6.251 1.753 0.917 57 HG2 ARG 8 2HG ARG 8 7.860 3.508 1.390 58 HG3 ARG 8 1HG ARG 8 7.356 4.375 -0.063 59 HD2 ARG 8 2HD ARG 8 5.593 3.738 2.306 60 HD3 ARG 8 1HD ARG 8 6.327 5.308 1.972 61 HE ARG 8 HE ARG 8 4.928 4.732 -0.292 62 HH11 ARG 8 1HH1 ARG 8 4.033 5.072 3.127 63 HH12 ARG 8 2HH1 ARG 8 2.420 5.500 2.798 64 HH21 ARG 8 1HH2 ARG 8 2.757 5.320 -0.731 65 HH22 ARG 8 2HH2 ARG 8 1.665 5.645 0.545 66 H ARG 9 H ARG 9 9.901 2.618 -1.054 67 HA ARG 9 HA ARG 9 11.960 2.384 -0.186 68 HB2 ARG 9 2HB ARG 9 10.666 3.101 1.916 69 HB3 ARG 9 1HB ARG 9 10.652 1.408 2.369 70 HG2 ARG 9 2HG ARG 9 13.172 1.466 2.267 71 HG3 ARG 9 1HG ARG 9 13.046 3.217 2.100 72 HD2 ARG 9 2HD ARG 9 13.395 2.706 4.418 73 HD3 ARG 9 1HD ARG 9 11.728 3.252 4.213 74 HE ARG 9 HE ARG 9 12.301 0.389 4.193 75 HH11 ARG 9 1HH1 ARG 9 10.855 3.131 5.890 76 HH12 ARG 9 2HH1 ARG 9 9.957 2.167 6.964 77 HH21 ARG 9 1HH2 ARG 9 11.125 -0.914 5.678 78 HH22 ARG 9 2HH2 ARG 9 10.103 -0.193 6.845 79 H GLY 10 H GLY 10 10.729 0.184 -1.560 80 HA2 GLY 10 2HA GLY 10 11.394 -1.899 -2.241 81 HA3 GLY 10 1HA GLY 10 12.713 -1.797 -1.088 82 H VAL 11 H VAL 11 9.492 -1.411 0.125 83 HA VAL 11 HA VAL 11 9.346 -4.224 0.784 84 HB VAL 11 HB VAL 11 10.398 -3.076 2.736 85 HG11 VAL 11 1HG1 VAL 11 7.878 -1.476 2.917 86 HG12 VAL 11 2HG1 VAL 11 9.499 -0.876 2.560 87 HG13 VAL 11 3HG1 VAL 11 9.137 -1.544 4.149 88 HG21 VAL 11 3HG2 VAL 11 8.907 -3.904 4.491 89 HG22 VAL 11 1HG2 VAL 11 9.073 -5.051 3.163 90 HG23 VAL 11 2HG2 VAL 11 7.614 -4.069 3.306 91 H ABA 12 H ABA 12 7.244 -4.995 1.029 92 HA ABA 12 HA ABA 12 5.385 -3.538 -0.567 93 HB3 ABA 12 1HB ABA 12 3.943 -5.544 -0.290 94 HB2 ABA 12 2HB ABA 12 5.153 -6.227 0.783 95 HG1 ABA 12 3HG ABA 12 5.349 -7.151 -1.446 96 HG3 ABA 12 1HG ABA 12 6.782 -6.210 -1.034 97 HG2 ABA 12 2HG ABA 12 5.562 -5.534 -2.116 98 H ARG 13 H ARG 13 3.828 -2.351 0.021 99 HA ARG 13 HA ARG 13 2.807 -2.404 2.773 100 HB2 ARG 13 2HB ARG 13 3.950 -0.292 2.148 101 HB3 ARG 13 1HB ARG 13 2.928 -0.156 0.732 102 HG2 ARG 13 2HG ARG 13 2.097 1.369 2.358 103 HG3 ARG 13 1HG ARG 13 0.958 0.030 2.270 104 HD2 ARG 13 2HD ARG 13 1.318 0.646 4.579 105 HD3 ARG 13 1HD ARG 13 2.008 -0.948 4.283 106 HE ARG 13 HE ARG 13 4.146 0.496 3.915 107 HH11 ARG 13 1HH1 ARG 13 1.701 1.026 6.427 108 HH12 ARG 13 2HH1 ARG 13 2.804 1.603 7.574 109 HH21 ARG 13 1HH2 ARG 13 5.661 1.299 5.483 110 HH22 ARG 13 2HH2 ARG 13 5.123 1.779 7.017 111 H ABA 14 H ABA 14 1.223 -4.016 2.246 112 HA ABA 14 HA ABA 14 -0.672 -3.282 0.136 113 HB3 ABA 14 1HB ABA 14 -0.433 -5.896 1.646 114 HB2 ABA 14 2HB ABA 14 0.251 -5.601 0.053 115 HG1 ABA 14 3HG ABA 14 -1.835 -6.847 -0.091 116 HG3 ABA 14 1HG ABA 14 -1.989 -5.263 -0.854 117 HG2 ABA 14 2HG ABA 14 -2.679 -5.540 0.744 118 H VAL 15 H VAL 15 -2.051 -1.959 0.820 119 HA VAL 15 HA VAL 15 -3.255 -2.460 3.437 120 HB VAL 15 HB VAL 15 -4.015 -0.080 3.404 121 HG11 VAL 15 1HG1 VAL 15 -1.997 -0.666 4.608 122 HG12 VAL 15 2HG1 VAL 15 -1.817 0.925 3.868 123 HG13 VAL 15 3HG1 VAL 15 -1.043 -0.484 3.137 124 HG21 VAL 15 3HG2 VAL 15 -3.996 0.296 0.978 125 HG22 VAL 15 1HG2 VAL 15 -2.236 0.156 0.967 126 HG23 VAL 15 2HG2 VAL 15 -3.011 1.500 1.811 127 H CYS 16 H CYS 16 -5.391 -2.708 3.612 128 HA CYS 16 HA CYS 16 -6.957 -2.654 1.140 129 HB2 CYS 16 2HB CYS 16 -7.315 -4.409 3.587 130 HB3 CYS 16 1HB CYS 16 -8.392 -4.375 2.202 131 H ARG 17 H ARG 17 -8.225 -0.973 1.131 132 HA ARG 17 HA ARG 17 -9.655 -0.253 3.549 133 HB2 ARG 17 2HB ARG 17 -7.557 1.068 3.543 134 HB3 ARG 17 1HB ARG 17 -7.989 1.703 1.963 135 HG2 ARG 17 2HG ARG 17 -9.974 2.740 2.931 136 HG3 ARG 17 1HG ARG 17 -9.520 2.115 4.515 137 HD2 ARG 17 2HD ARG 17 -7.399 3.358 4.361 138 HD3 ARG 17 1HD ARG 17 -7.932 4.012 2.813 139 HE ARG 17 HE ARG 17 -9.738 4.440 4.991 140 HH11 ARG 17 1HH1 ARG 17 -7.061 5.757 3.107 141 HH12 ARG 17 2HH1 ARG 17 -7.267 7.358 3.677 142 HH21 ARG 17 1HH2 ARG 17 -10.036 6.625 5.755 143 HH22 ARG 17 2HH2 ARG 17 -8.990 7.845 5.216 144 H ARG 18 H ARG 18 -11.668 0.414 3.056 145 HA ARG 18 HA ARG 18 -13.541 0.868 1.922 146 HB2 ARG 18 2HB ARG 18 -12.251 2.929 1.248 147 HB3 ARG 18 1HB ARG 18 -11.710 2.083 -0.187 148 HG2 ARG 18 2HG ARG 18 -13.468 3.527 -0.877 149 HG3 ARG 18 1HG ARG 18 -14.145 1.903 -0.853 150 HD2 ARG 18 2HD ARG 18 -14.476 3.984 1.308 151 HD3 ARG 18 1HD ARG 18 -15.673 3.598 0.079 152 HE ARG 18 HE ARG 18 -15.336 1.232 1.250 153 HH11 ARG 18 1HH1 ARG 18 -15.916 4.435 2.597 154 HH12 ARG 18 2HH1 ARG 18 -16.625 3.883 4.036 155 HH21 ARG 18 1HH2 ARG 18 -16.308 0.448 3.206 156 HH22 ARG 18 2HH2 ARG 18 -16.863 1.553 4.381 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -11.527 -1.659 1.758 2 HA2 GLY 1 2HA GLY 1 -12.349 -3.802 1.184 3 HA3 GLY 1 1HA GLY 1 -13.497 -3.040 0.095 4 H VAL 2 H VAL 2 -10.755 -1.391 -0.539 5 HA VAL 2 HA VAL 2 -10.027 -3.332 -2.602 6 HB VAL 2 HB VAL 2 -10.902 -1.152 -3.469 7 HG11 VAL 2 1HG1 VAL 2 -8.442 0.072 -2.250 8 HG12 VAL 2 2HG1 VAL 2 -10.115 0.366 -1.781 9 HG13 VAL 2 3HG1 VAL 2 -9.544 0.877 -3.369 10 HG21 VAL 2 3HG2 VAL 2 -8.017 -1.701 -4.164 11 HG22 VAL 2 1HG2 VAL 2 -9.139 -0.756 -5.142 12 HG23 VAL 2 2HG2 VAL 2 -9.428 -2.475 -4.878 13 H CYS 3 H CYS 3 -7.896 -3.870 -2.918 14 HA CYS 3 HA CYS 3 -6.072 -2.955 -0.825 15 HB2 CYS 3 2HB CYS 3 -6.295 -5.700 -2.051 16 HB3 CYS 3 1HB CYS 3 -5.026 -5.196 -0.941 17 H ARG 4 H ARG 4 -4.482 -1.865 -1.582 18 HA ARG 4 HA ARG 4 -3.413 -2.538 -4.229 19 HB2 ARG 4 2HB ARG 4 -4.492 -0.340 -4.297 20 HB3 ARG 4 1HB ARG 4 -3.572 0.182 -2.894 21 HG2 ARG 4 2HG ARG 4 -1.503 0.011 -4.194 22 HG3 ARG 4 1HG ARG 4 -2.437 -0.521 -5.593 23 HD2 ARG 4 2HD ARG 4 -3.555 1.586 -5.729 24 HD3 ARG 4 1HD ARG 4 -2.863 2.115 -4.193 25 HE ARG 4 HE ARG 4 -0.905 1.434 -6.160 26 HH11 ARG 4 1HH1 ARG 4 -3.076 4.047 -5.153 27 HH12 ARG 4 2HH1 ARG 4 -2.019 5.304 -5.568 28 HH21 ARG 4 1HH2 ARG 4 0.593 3.172 -6.750 29 HH22 ARG 4 2HH2 ARG 4 0.135 4.788 -6.498 30 H ABA 5 H ABA 5 -1.447 -3.332 -4.112 31 HA ABA 5 HA ABA 5 0.053 -2.996 -1.635 32 HB3 ABA 5 1HB ABA 5 0.445 -4.974 -3.893 33 HB2 ABA 5 2HB ABA 5 -0.420 -5.309 -2.401 34 HG1 ABA 5 3HG ABA 5 2.501 -4.630 -2.616 35 HG3 ABA 5 1HG ABA 5 1.824 -6.235 -2.347 36 HG2 ABA 5 2HG ABA 5 1.626 -4.977 -1.124 37 H VAL 6 H VAL 6 1.208 -1.255 -1.687 38 HA VAL 6 HA VAL 6 2.585 -0.535 -4.155 39 HB VAL 6 HB VAL 6 3.076 1.639 -3.061 40 HG11 VAL 6 1HG1 VAL 6 0.165 0.880 -3.012 41 HG12 VAL 6 2HG1 VAL 6 1.080 1.426 -4.420 42 HG13 VAL 6 3HG1 VAL 6 0.793 2.525 -3.067 43 HG21 VAL 6 3HG2 VAL 6 1.988 2.245 -0.952 44 HG22 VAL 6 1HG2 VAL 6 3.108 0.904 -0.721 45 HG23 VAL 6 2HG2 VAL 6 1.376 0.596 -0.784 46 H ABA 7 H ABA 7 4.770 -0.385 -4.279 47 HA ABA 7 HA ABA 7 6.197 -1.574 -2.020 48 HB3 ABA 7 1HB ABA 7 7.114 -1.288 -4.893 49 HB2 ABA 7 2HB ABA 7 6.399 -2.751 -4.231 50 HG1 ABA 7 3HG ABA 7 8.814 -2.944 -4.340 51 HG3 ABA 7 1HG ABA 7 8.272 -2.945 -2.660 52 HG2 ABA 7 2HG ABA 7 8.992 -1.492 -3.353 53 H ARG 8 H ARG 8 6.805 -0.006 -0.758 54 HA ARG 8 HA ARG 8 8.442 2.116 -1.883 55 HB2 ARG 8 2HB ARG 8 6.123 3.036 -1.565 56 HB3 ARG 8 1HB ARG 8 6.254 2.655 0.145 57 HG2 ARG 8 2HG ARG 8 8.137 4.192 0.362 58 HG3 ARG 8 1HG ARG 8 8.043 4.557 -1.359 59 HD2 ARG 8 2HD ARG 8 6.956 6.309 -0.141 60 HD3 ARG 8 1HD ARG 8 5.741 5.374 -1.014 61 HE ARG 8 HE ARG 8 6.267 4.770 1.794 62 HH11 ARG 8 1HH1 ARG 8 4.033 6.077 -0.647 63 HH12 ARG 8 2HH1 ARG 8 2.691 6.067 0.396 64 HH21 ARG 8 1HH2 ARG 8 4.389 4.835 3.227 65 HH22 ARG 8 2HH2 ARG 8 2.900 5.389 2.624 66 H ARG 9 H ARG 9 10.139 2.573 -0.645 67 HA ARG 9 HA ARG 9 11.745 2.384 0.855 68 HB2 ARG 9 2HB ARG 9 10.006 3.116 2.545 69 HB3 ARG 9 1HB ARG 9 9.632 1.427 2.833 70 HG2 ARG 9 2HG ARG 9 11.860 1.057 3.713 71 HG3 ARG 9 1HG ARG 9 12.304 2.725 3.353 72 HD2 ARG 9 2HD ARG 9 10.630 3.521 4.930 73 HD3 ARG 9 1HD ARG 9 10.128 1.860 5.254 74 HE ARG 9 HE ARG 9 12.644 1.659 5.868 75 HH11 ARG 9 1HH1 ARG 9 10.458 4.312 6.747 76 HH12 ARG 9 2HH1 ARG 9 11.332 4.713 8.164 77 HH21 ARG 9 1HH2 ARG 9 13.785 2.194 7.783 78 HH22 ARG 9 2HH2 ARG 9 13.257 3.469 8.782 79 H GLY 10 H GLY 10 10.860 0.352 -0.913 80 HA2 GLY 10 2HA GLY 10 11.574 -1.657 -1.642 81 HA3 GLY 10 1HA GLY 10 12.781 -1.626 -0.373 82 H VAL 11 H VAL 11 9.282 -1.613 0.027 83 HA VAL 11 HA VAL 11 9.240 -4.392 0.718 84 HB VAL 11 HB VAL 11 10.014 -3.337 2.823 85 HG11 VAL 11 1HG1 VAL 11 7.495 -1.725 2.707 86 HG12 VAL 11 2HG1 VAL 11 9.150 -1.126 2.587 87 HG13 VAL 11 3HG1 VAL 11 8.572 -1.839 4.097 88 HG21 VAL 11 3HG2 VAL 11 8.269 -4.189 4.360 89 HG22 VAL 11 1HG2 VAL 11 8.639 -5.313 3.050 90 HG23 VAL 11 2HG2 VAL 11 7.172 -4.335 2.986 91 H ABA 12 H ABA 12 7.125 -5.214 0.697 92 HA ABA 12 HA ABA 12 5.317 -3.621 -0.879 93 HB3 ABA 12 1HB ABA 12 3.982 -5.705 -1.000 94 HB2 ABA 12 2HB ABA 12 5.147 -6.486 0.060 95 HG1 ABA 12 3HG ABA 12 5.551 -7.090 -2.236 96 HG3 ABA 12 1HG ABA 12 6.894 -6.132 -1.613 97 HG2 ABA 12 2HG ABA 12 5.705 -5.391 -2.685 98 H ARG 13 H ARG 13 3.948 -2.355 0.023 99 HA ARG 13 HA ARG 13 2.845 -3.014 2.652 100 HB2 ARG 13 2HB ARG 13 4.074 -0.853 2.406 101 HB3 ARG 13 1HB ARG 13 2.938 -0.379 1.161 102 HG2 ARG 13 2HG ARG 13 2.414 0.700 3.263 103 HG3 ARG 13 1HG ARG 13 1.123 -0.403 2.795 104 HD2 ARG 13 2HD ARG 13 1.657 -0.532 5.188 105 HD3 ARG 13 1HD ARG 13 1.925 -2.068 4.367 106 HE ARG 13 HE ARG 13 4.345 -0.753 4.340 107 HH11 ARG 13 1HH1 ARG 13 2.130 -1.844 6.902 108 HH12 ARG 13 2HH1 ARG 13 3.403 -2.192 7.999 109 HH21 ARG 13 1HH2 ARG 13 6.051 -1.288 5.868 110 HH22 ARG 13 2HH2 ARG 13 5.634 -1.901 7.398 111 H ABA 14 H ABA 14 1.030 -4.209 2.238 112 HA ABA 14 HA ABA 14 -0.658 -3.529 -0.010 113 HB3 ABA 14 1HB ABA 14 -1.003 -5.671 2.099 114 HB2 ABA 14 2HB ABA 14 -0.215 -5.916 0.545 115 HG1 ABA 14 3HG ABA 14 -2.492 -6.761 0.530 116 HG3 ABA 14 1HG ABA 14 -2.307 -5.421 -0.600 117 HG2 ABA 14 2HG ABA 14 -3.098 -5.162 0.952 118 H VAL 15 H VAL 15 -1.774 -1.795 0.252 119 HA VAL 15 HA VAL 15 -2.915 -1.181 2.844 120 HB VAL 15 HB VAL 15 -2.962 0.425 0.270 121 HG11 VAL 15 1HG1 VAL 15 -3.606 2.316 1.697 122 HG12 VAL 15 2HG1 VAL 15 -3.652 1.238 3.094 123 HG13 VAL 15 3HG1 VAL 15 -4.792 1.011 1.768 124 HG21 VAL 15 3HG2 VAL 15 -0.675 0.161 1.089 125 HG22 VAL 15 1HG2 VAL 15 -1.173 0.727 2.684 126 HG23 VAL 15 2HG2 VAL 15 -1.223 1.821 1.299 127 H CYS 16 H CYS 16 -4.750 -2.206 3.214 128 HA CYS 16 HA CYS 16 -6.711 -2.374 1.066 129 HB2 CYS 16 2HB CYS 16 -6.540 -3.859 3.706 130 HB3 CYS 16 1HB CYS 16 -7.878 -4.001 2.570 131 H ARG 17 H ARG 17 -8.177 -0.892 1.054 132 HA ARG 17 HA ARG 17 -9.227 0.168 3.536 133 HB2 ARG 17 2HB ARG 17 -7.291 1.620 2.885 134 HB3 ARG 17 1HB ARG 17 -8.090 1.934 1.354 135 HG2 ARG 17 2HG ARG 17 -8.434 3.791 2.836 136 HG3 ARG 17 1HG ARG 17 -9.970 2.961 2.577 137 HD2 ARG 17 2HD ARG 17 -9.661 3.572 4.925 138 HD3 ARG 17 1HD ARG 17 -9.744 1.824 4.725 139 HE ARG 17 HE ARG 17 -7.071 2.736 4.649 140 HH11 ARG 17 1HH1 ARG 17 -9.679 2.181 6.984 141 HH12 ARG 17 2HH1 ARG 17 -8.609 1.792 8.266 142 HH21 ARG 17 1HH2 ARG 17 -5.646 2.238 6.423 143 HH22 ARG 17 2HH2 ARG 17 -6.300 1.866 7.950 144 H ARG 18 H ARG 18 -11.364 0.494 3.299 145 HA ARG 18 HA ARG 18 -13.419 0.719 2.455 146 HB2 ARG 18 2HB ARG 18 -12.420 2.716 1.293 147 HB3 ARG 18 1HB ARG 18 -12.072 1.702 -0.092 148 HG2 ARG 18 2HG ARG 18 -14.042 3.023 -0.534 149 HG3 ARG 18 1HG ARG 18 -14.495 1.327 -0.387 150 HD2 ARG 18 2HD ARG 18 -16.103 2.675 0.795 151 HD3 ARG 18 1HD ARG 18 -15.167 1.758 1.967 152 HE ARG 18 HE ARG 18 -14.437 4.516 1.328 153 HH11 ARG 18 1HH1 ARG 18 -15.459 2.144 3.756 154 HH12 ARG 18 2HH1 ARG 18 -15.356 3.228 5.061 155 HH21 ARG 18 1HH2 ARG 18 -14.320 6.012 3.141 156 HH22 ARG 18 2HH2 ARG 18 -14.685 5.476 4.702 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -11.872 -2.446 1.839 2 HA2 GLY 1 2HA GLY 1 -11.856 -4.474 0.738 3 HA3 GLY 1 1HA GLY 1 -13.204 -3.929 -0.243 4 H VAL 2 H VAL 2 -11.001 -1.487 -0.542 5 HA VAL 2 HA VAL 2 -9.859 -2.834 -2.859 6 HB VAL 2 HB VAL 2 -9.363 -0.672 -3.880 7 HG11 VAL 2 1HG1 VAL 2 -11.629 0.146 -4.296 8 HG12 VAL 2 2HG1 VAL 2 -12.198 -0.855 -2.958 9 HG13 VAL 2 3HG1 VAL 2 -11.492 -1.612 -4.386 10 HG21 VAL 2 3HG2 VAL 2 -8.950 0.698 -1.900 11 HG22 VAL 2 1HG2 VAL 2 -10.658 0.608 -1.470 12 HG23 VAL 2 2HG2 VAL 2 -10.164 1.457 -2.932 13 H CYS 3 H CYS 3 -7.767 -3.105 -3.117 14 HA CYS 3 HA CYS 3 -6.104 -2.246 -0.866 15 HB2 CYS 3 2HB CYS 3 -5.981 -4.824 -2.424 16 HB3 CYS 3 1HB CYS 3 -4.826 -4.333 -1.190 17 H ARG 4 H ARG 4 -4.188 -1.412 -1.252 18 HA ARG 4 HA ARG 4 -3.203 -1.397 -3.991 19 HB2 ARG 4 2HB ARG 4 -3.176 0.800 -1.931 20 HB3 ARG 4 1HB ARG 4 -2.020 0.771 -3.249 21 HG2 ARG 4 2HG ARG 4 -5.012 0.820 -3.575 22 HG3 ARG 4 1HG ARG 4 -3.950 2.226 -3.698 23 HD2 ARG 4 2HD ARG 4 -2.749 1.122 -5.557 24 HD3 ARG 4 1HD ARG 4 -3.865 -0.236 -5.453 25 HE ARG 4 HE ARG 4 -5.359 2.069 -5.768 26 HH11 ARG 4 1HH1 ARG 4 -3.012 0.171 -7.673 27 HH12 ARG 4 2HH1 ARG 4 -3.709 0.603 -9.166 28 HH21 ARG 4 1HH2 ARG 4 -6.225 2.676 -7.868 29 HH22 ARG 4 2HH2 ARG 4 -5.515 2.018 -9.273 30 H ABA 5 H ABA 5 -1.670 -2.765 -4.048 31 HA ABA 5 HA ABA 5 0.097 -3.144 -1.783 32 HB3 ABA 5 1HB ABA 5 0.032 -4.527 -4.480 33 HB2 ABA 5 2HB ABA 5 -0.785 -5.120 -3.039 34 HG1 ABA 5 3HG ABA 5 1.294 -6.302 -3.415 35 HG3 ABA 5 1HG ABA 5 1.356 -5.377 -1.915 36 HG2 ABA 5 2HG ABA 5 2.185 -4.782 -3.351 37 H VAL 6 H VAL 6 1.631 -1.738 -1.627 38 HA VAL 6 HA VAL 6 2.937 -0.873 -4.066 39 HB VAL 6 HB VAL 6 1.714 0.962 -3.467 40 HG11 VAL 6 1HG1 VAL 6 1.068 0.385 -1.164 41 HG12 VAL 6 2HG1 VAL 6 1.728 2.021 -1.180 42 HG13 VAL 6 3HG1 VAL 6 2.717 0.675 -0.609 43 HG21 VAL 6 3HG2 VAL 6 3.387 2.693 -2.785 44 HG22 VAL 6 1HG2 VAL 6 3.944 1.595 -4.052 45 HG23 VAL 6 2HG2 VAL 6 4.493 1.376 -2.394 46 H ABA 7 H ABA 7 4.871 -1.013 -4.134 47 HA ABA 7 HA ABA 7 6.414 -1.938 -1.812 48 HB3 ABA 7 1HB ABA 7 7.216 -1.902 -4.742 49 HB2 ABA 7 2HB ABA 7 6.565 -3.307 -3.907 50 HG1 ABA 7 3HG ABA 7 8.505 -3.341 -2.428 51 HG3 ABA 7 1HG ABA 7 9.161 -1.932 -3.262 52 HG2 ABA 7 2HG ABA 7 8.979 -3.460 -4.122 53 H ARG 8 H ARG 8 7.030 -0.242 -0.727 54 HA ARG 8 HA ARG 8 8.292 1.961 -2.198 55 HB2 ARG 8 2HB ARG 8 6.027 2.583 -1.386 56 HB3 ARG 8 1HB ARG 8 6.537 2.203 0.251 57 HG2 ARG 8 2HG ARG 8 8.172 3.997 0.178 58 HG3 ARG 8 1HG ARG 8 7.722 4.355 -1.492 59 HD2 ARG 8 2HD ARG 8 5.915 4.523 0.911 60 HD3 ARG 8 1HD ARG 8 6.634 5.892 0.063 61 HE ARG 8 HE ARG 8 5.348 4.727 -1.918 62 HH11 ARG 8 1HH1 ARG 8 4.226 5.454 1.364 63 HH12 ARG 8 2HH1 ARG 8 2.583 5.597 0.951 64 HH21 ARG 8 1HH2 ARG 8 3.073 4.923 -2.507 65 HH22 ARG 8 2HH2 ARG 8 1.905 5.286 -1.342 66 H ARG 9 H ARG 9 10.290 2.202 -1.620 67 HA ARG 9 HA ARG 9 12.265 2.081 -0.553 68 HB2 ARG 9 2HB ARG 9 10.978 3.521 1.128 69 HB3 ARG 9 1HB ARG 9 10.677 2.056 2.041 70 HG2 ARG 9 2HG ARG 9 12.486 3.247 3.083 71 HG3 ARG 9 1HG ARG 9 13.147 1.798 2.330 72 HD2 ARG 9 2HD ARG 9 13.213 4.567 1.107 73 HD3 ARG 9 1HD ARG 9 14.546 3.834 1.995 74 HE ARG 9 HE ARG 9 14.290 2.024 0.174 75 HH11 ARG 9 1HH1 ARG 9 14.226 5.541 -0.302 76 HH12 ARG 9 2HH1 ARG 9 14.525 5.437 -1.976 77 HH21 ARG 9 1HH2 ARG 9 14.693 1.916 -2.140 78 HH22 ARG 9 2HH2 ARG 9 14.773 3.361 -3.038 79 H GLY 10 H GLY 10 10.929 -0.254 -1.391 80 HA2 GLY 10 2HA GLY 10 11.666 -2.462 -1.486 81 HA3 GLY 10 1HA GLY 10 12.477 -2.240 0.059 82 H VAL 11 H VAL 11 9.727 -1.027 0.900 83 HA VAL 11 HA VAL 11 8.874 -3.512 2.091 84 HB VAL 11 HB VAL 11 7.794 -0.711 2.486 85 HG11 VAL 11 1HG1 VAL 11 6.221 -2.446 3.163 86 HG12 VAL 11 2HG1 VAL 11 6.862 -1.578 4.558 87 HG13 VAL 11 3HG1 VAL 11 7.464 -3.190 4.173 88 HG21 VAL 11 3HG2 VAL 11 9.825 -2.225 4.126 89 HG22 VAL 11 1HG2 VAL 11 9.136 -0.651 4.528 90 HG23 VAL 11 2HG2 VAL 11 10.153 -0.827 3.097 91 H ABA 12 H ABA 12 7.474 -4.730 1.059 92 HA ABA 12 HA ABA 12 5.603 -3.630 -0.865 93 HB3 ABA 12 1HB ABA 12 5.960 -6.486 0.110 94 HB2 ABA 12 2HB ABA 12 6.776 -5.801 -1.290 95 HG1 ABA 12 3HG ABA 12 3.804 -6.163 -0.995 96 HG3 ABA 12 1HG ABA 12 4.887 -7.169 -1.962 97 HG2 ABA 12 2HG ABA 12 4.628 -5.477 -2.395 98 H ARG 13 H ARG 13 4.188 -2.447 0.274 99 HA ARG 13 HA ARG 13 2.874 -3.638 2.600 100 HB2 ARG 13 2HB ARG 13 4.138 -1.561 2.978 101 HB3 ARG 13 1HB ARG 13 3.181 -0.753 1.754 102 HG2 ARG 13 2HG ARG 13 1.188 -1.007 3.145 103 HG3 ARG 13 1HG ARG 13 2.151 -1.847 4.362 104 HD2 ARG 13 2HD ARG 13 2.610 0.992 3.426 105 HD3 ARG 13 1HD ARG 13 1.822 0.514 4.930 106 HE ARG 13 HE ARG 13 4.116 -0.695 5.258 107 HH11 ARG 13 1HH1 ARG 13 3.587 2.612 4.080 108 HH12 ARG 13 2HH1 ARG 13 5.068 3.202 4.675 109 HH21 ARG 13 1HH2 ARG 13 6.084 0.123 6.090 110 HH22 ARG 13 2HH2 ARG 13 6.543 1.749 5.848 111 H ABA 14 H ABA 14 0.807 -4.203 2.368 112 HA ABA 14 HA ABA 14 -0.663 -3.254 0.020 113 HB3 ABA 14 1HB ABA 14 -1.171 -5.669 1.784 114 HB2 ABA 14 2HB ABA 14 -0.371 -5.710 0.217 115 HG1 ABA 14 3HG ABA 14 -3.229 -4.911 0.711 116 HG3 ABA 14 1HG ABA 14 -2.672 -6.444 0.037 117 HG2 ABA 14 2HG ABA 14 -2.423 -4.944 -0.857 118 H VAL 15 H VAL 15 -1.748 -1.523 0.537 119 HA VAL 15 HA VAL 15 -2.970 -1.286 3.188 120 HB VAL 15 HB VAL 15 -2.881 0.798 0.993 121 HG11 VAL 15 1HG1 VAL 15 -3.431 1.038 3.946 122 HG12 VAL 15 2HG1 VAL 15 -4.616 1.176 2.652 123 HG13 VAL 15 3HG1 VAL 15 -3.333 2.382 2.811 124 HG21 VAL 15 3HG2 VAL 15 -0.602 0.208 1.629 125 HG22 VAL 15 1HG2 VAL 15 -1.002 0.442 3.329 126 HG23 VAL 15 2HG2 VAL 15 -1.006 1.820 2.224 127 H CYS 16 H CYS 16 -5.033 -1.858 3.412 128 HA CYS 16 HA CYS 16 -6.762 -1.837 1.036 129 HB2 CYS 16 2HB CYS 16 -6.878 -3.681 3.429 130 HB3 CYS 16 1HB CYS 16 -8.001 -3.688 2.078 131 H ARG 17 H ARG 17 -8.646 -0.784 1.151 132 HA ARG 17 HA ARG 17 -9.913 -0.289 3.664 133 HB2 ARG 17 2HB ARG 17 -10.081 2.125 3.435 134 HB3 ARG 17 1HB ARG 17 -8.389 1.674 3.511 135 HG2 ARG 17 2HG ARG 17 -8.201 1.987 1.093 136 HG3 ARG 17 1HG ARG 17 -9.916 2.394 1.012 137 HD2 ARG 17 2HD ARG 17 -8.697 4.440 1.016 138 HD3 ARG 17 1HD ARG 17 -9.463 4.280 2.590 139 HE ARG 17 HE ARG 17 -6.638 3.680 2.057 140 HH11 ARG 17 1HH1 ARG 17 -9.110 4.799 4.332 141 HH12 ARG 17 2HH1 ARG 17 -8.026 5.580 5.372 142 HH21 ARG 17 1HH2 ARG 17 -5.118 4.724 3.518 143 HH22 ARG 17 2HH2 ARG 17 -5.689 5.526 4.897 144 H ARG 18 H ARG 18 -12.039 -0.372 3.391 145 HA ARG 18 HA ARG 18 -14.072 -0.643 2.457 146 HB2 ARG 18 2HB ARG 18 -13.616 1.754 1.692 147 HB3 ARG 18 1HB ARG 18 -13.086 1.086 0.159 148 HG2 ARG 18 2HG ARG 18 -15.346 0.071 -0.102 149 HG3 ARG 18 1HG ARG 18 -15.846 0.938 1.348 150 HD2 ARG 18 2HD ARG 18 -15.295 3.056 0.257 151 HD3 ARG 18 1HD ARG 18 -14.809 2.176 -1.198 152 HE ARG 18 HE ARG 18 -17.527 2.072 -0.083 153 HH11 ARG 18 1HH1 ARG 18 -15.409 2.536 -2.914 154 HH12 ARG 18 2HH1 ARG 18 -16.693 2.486 -4.033 155 HH21 ARG 18 1HH2 ARG 18 -19.233 2.054 -1.592 156 HH22 ARG 18 2HH2 ARG 18 -18.941 2.238 -3.263 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -10.510 0.047 1.972 2 HA2 GLY 1 2HA GLY 1 -11.558 -2.055 2.186 3 HA3 GLY 1 1HA GLY 1 -12.628 -1.607 0.873 4 H VAL 2 H VAL 2 -9.941 -0.741 -0.587 5 HA VAL 2 HA VAL 2 -9.707 -3.439 -1.611 6 HB VAL 2 HB VAL 2 -8.796 -2.492 -3.736 7 HG11 VAL 2 1HG1 VAL 2 -11.126 -3.088 -3.569 8 HG12 VAL 2 2HG1 VAL 2 -10.945 -1.643 -4.566 9 HG13 VAL 2 3HG1 VAL 2 -11.513 -1.501 -2.902 10 HG21 VAL 2 3HG2 VAL 2 -9.104 -0.098 -4.216 11 HG22 VAL 2 1HG2 VAL 2 -7.941 -0.352 -2.911 12 HG23 VAL 2 2HG2 VAL 2 -9.583 0.172 -2.538 13 H CYS 3 H CYS 3 -8.056 -4.609 -1.278 14 HA CYS 3 HA CYS 3 -5.650 -3.485 -0.155 15 HB2 CYS 3 2HB CYS 3 -6.684 -6.243 -0.514 16 HB3 CYS 3 1HB CYS 3 -4.948 -6.031 -0.398 17 H ARG 4 H ARG 4 -4.377 -2.482 -1.346 18 HA ARG 4 HA ARG 4 -3.683 -3.584 -3.964 19 HB2 ARG 4 2HB ARG 4 -3.181 -0.824 -2.848 20 HB3 ARG 4 1HB ARG 4 -2.757 -1.367 -4.463 21 HG2 ARG 4 2HG ARG 4 -5.521 -1.042 -3.330 22 HG3 ARG 4 1HG ARG 4 -4.758 -0.063 -4.586 23 HD2 ARG 4 2HD ARG 4 -4.619 -2.082 -6.010 24 HD3 ARG 4 1HD ARG 4 -5.480 -2.987 -4.771 25 HE ARG 4 HE ARG 4 -6.799 -0.610 -5.644 26 HH11 ARG 4 1HH1 ARG 4 -6.443 -4.096 -6.248 27 HH12 ARG 4 2HH1 ARG 4 -7.940 -4.244 -7.023 28 HH21 ARG 4 1HH2 ARG 4 -8.815 -0.822 -6.714 29 HH22 ARG 4 2HH2 ARG 4 -9.339 -2.338 -7.280 30 H ABA 5 H ABA 5 -1.679 -4.155 -4.392 31 HA ABA 5 HA ABA 5 0.157 -4.422 -2.164 32 HB3 ABA 5 1HB ABA 5 0.339 -5.466 -5.003 33 HB2 ABA 5 2HB ABA 5 -0.416 -6.351 -3.683 34 HG1 ABA 5 3HG ABA 5 1.818 -7.160 -4.115 35 HG3 ABA 5 1HG ABA 5 1.695 -6.443 -2.506 36 HG2 ABA 5 2HG ABA 5 2.468 -5.549 -3.820 37 H VAL 6 H VAL 6 0.992 -2.415 -1.874 38 HA VAL 6 HA VAL 6 2.175 -1.118 -4.211 39 HB VAL 6 HB VAL 6 0.393 0.166 -3.367 40 HG11 VAL 6 1HG1 VAL 6 0.257 -0.588 -1.062 41 HG12 VAL 6 2HG1 VAL 6 0.381 1.170 -1.078 42 HG13 VAL 6 3HG1 VAL 6 1.795 0.190 -0.685 43 HG21 VAL 6 3HG2 VAL 6 3.033 1.443 -2.690 44 HG22 VAL 6 1HG2 VAL 6 1.518 2.335 -2.835 45 HG23 VAL 6 2HG2 VAL 6 2.176 1.492 -4.232 46 H ABA 7 H ABA 7 4.085 -0.217 -4.053 47 HA ABA 7 HA ABA 7 5.831 -1.351 -2.001 48 HB3 ABA 7 1HB ABA 7 6.553 0.083 -4.574 49 HB2 ABA 7 2HB ABA 7 6.502 -1.663 -4.375 50 HG1 ABA 7 3HG ABA 7 8.793 -0.831 -4.282 51 HG3 ABA 7 1HG ABA 7 8.307 -1.539 -2.740 52 HG2 ABA 7 2HG ABA 7 8.359 0.212 -2.926 53 H ARG 8 H ARG 8 5.890 -0.155 -0.292 54 HA ARG 8 HA ARG 8 6.366 2.717 -0.594 55 HB2 ARG 8 2HB ARG 8 5.077 3.111 1.443 56 HB3 ARG 8 1HB ARG 8 4.061 2.338 0.238 57 HG2 ARG 8 2HG ARG 8 4.286 0.212 1.391 58 HG3 ARG 8 1HG ARG 8 5.379 0.940 2.565 59 HD2 ARG 8 2HD ARG 8 3.523 2.535 3.133 60 HD3 ARG 8 1HD ARG 8 2.462 1.542 2.134 61 HE ARG 8 HE ARG 8 3.879 0.024 4.071 62 HH11 ARG 8 1HH1 ARG 8 1.061 2.106 3.647 63 HH12 ARG 8 2HH1 ARG 8 0.234 1.530 5.021 64 HH21 ARG 8 1HH2 ARG 8 2.754 -0.799 5.936 65 HH22 ARG 8 2HH2 ARG 8 1.217 -0.206 6.339 66 H ARG 9 H ARG 9 8.118 3.416 0.503 67 HA ARG 9 HA ARG 9 10.069 3.385 1.657 68 HB2 ARG 9 2HB ARG 9 8.403 3.202 3.565 69 HB3 ARG 9 1HB ARG 9 8.609 1.463 3.512 70 HG2 ARG 9 2HG ARG 9 9.846 2.459 5.356 71 HG3 ARG 9 1HG ARG 9 10.947 1.725 4.190 72 HD2 ARG 9 2HD ARG 9 11.452 3.885 3.246 73 HD3 ARG 9 1HD ARG 9 10.258 4.658 4.290 74 HE ARG 9 HE ARG 9 11.907 3.471 6.037 75 HH11 ARG 9 1HH1 ARG 9 12.518 5.595 3.310 76 HH12 ARG 9 2HH1 ARG 9 13.908 6.325 3.981 77 HH21 ARG 9 1HH2 ARG 9 13.836 4.508 7.008 78 HH22 ARG 9 2HH2 ARG 9 14.645 5.707 6.117 79 H GLY 10 H GLY 10 9.629 1.496 -0.490 80 HA2 GLY 10 2HA GLY 10 10.910 -0.087 -1.561 81 HA3 GLY 10 1HA GLY 10 11.935 -0.168 -0.132 82 H VAL 11 H VAL 11 8.748 -0.585 0.753 83 HA VAL 11 HA VAL 11 9.076 -3.487 0.927 84 HB VAL 11 HB VAL 11 7.322 -1.616 2.545 85 HG11 VAL 11 1HG1 VAL 11 6.377 -3.849 2.382 86 HG12 VAL 11 2HG1 VAL 11 6.937 -3.514 4.015 87 HG13 VAL 11 3HG1 VAL 11 7.895 -4.546 2.951 88 HG21 VAL 11 3HG2 VAL 11 9.898 -2.970 3.330 89 HG22 VAL 11 1HG2 VAL 11 8.851 -2.051 4.409 90 HG23 VAL 11 2HG2 VAL 11 9.662 -1.242 3.068 91 H ABA 12 H ABA 12 7.860 -4.536 -0.492 92 HA ABA 12 HA ABA 12 5.517 -3.372 -1.698 93 HB3 ABA 12 1HB ABA 12 6.523 -6.235 -1.756 94 HB2 ABA 12 2HB ABA 12 7.040 -4.987 -2.885 95 HG1 ABA 12 3HG ABA 12 4.247 -6.021 -2.586 96 HG3 ABA 12 1HG ABA 12 5.373 -6.424 -3.879 97 HG2 ABA 12 2HG ABA 12 4.778 -4.772 -3.715 98 H ARG 13 H ARG 13 3.884 -3.064 -0.303 99 HA ARG 13 HA ARG 13 3.208 -5.236 1.575 100 HB2 ARG 13 2HB ARG 13 4.335 -2.955 2.375 101 HB3 ARG 13 1HB ARG 13 2.709 -2.346 2.207 102 HG2 ARG 13 2HG ARG 13 3.516 -4.644 3.988 103 HG3 ARG 13 1HG ARG 13 3.312 -2.982 4.520 104 HD2 ARG 13 2HD ARG 13 0.937 -3.102 3.853 105 HD3 ARG 13 1HD ARG 13 1.170 -4.789 3.401 106 HE ARG 13 HE ARG 13 2.056 -4.600 5.986 107 HH11 ARG 13 1HH1 ARG 13 -1.060 -4.208 4.337 108 HH12 ARG 13 2HH1 ARG 13 -1.974 -4.385 5.754 109 HH21 ARG 13 1HH2 ARG 13 0.793 -4.919 7.875 110 HH22 ARG 13 2HH2 ARG 13 -0.913 -4.826 7.832 111 H ABA 14 H ABA 14 1.080 -5.795 1.550 112 HA ABA 14 HA ABA 14 -0.660 -4.502 -0.385 113 HB3 ABA 14 1HB ABA 14 -1.009 -7.020 1.266 114 HB2 ABA 14 2HB ABA 14 -0.405 -6.967 -0.384 115 HG1 ABA 14 3HG ABA 14 -3.147 -6.183 0.522 116 HG3 ABA 14 1HG ABA 14 -2.716 -7.661 -0.340 117 HG2 ABA 14 2HG ABA 14 -2.556 -6.093 -1.141 118 H VAL 15 H VAL 15 -1.943 -2.924 0.268 119 HA VAL 15 HA VAL 15 -2.935 -3.001 3.036 120 HB VAL 15 HB VAL 15 -2.884 -0.519 3.104 121 HG11 VAL 15 1HG1 VAL 15 -0.214 -1.789 2.560 122 HG12 VAL 15 2HG1 VAL 15 -1.068 -1.772 4.104 123 HG13 VAL 15 3HG1 VAL 15 -0.468 -0.265 3.411 124 HG21 VAL 15 3HG2 VAL 15 -1.540 0.735 1.460 125 HG22 VAL 15 1HG2 VAL 15 -2.941 -0.036 0.709 126 HG23 VAL 15 2HG2 VAL 15 -1.339 -0.740 0.515 127 H CYS 16 H CYS 16 -5.051 -2.738 3.341 128 HA CYS 16 HA CYS 16 -6.756 -2.324 1.020 129 HB2 CYS 16 2HB CYS 16 -7.272 -3.295 3.821 130 HB3 CYS 16 1HB CYS 16 -8.587 -2.649 2.861 131 H ARG 17 H ARG 17 -6.970 -0.387 0.440 132 HA ARG 17 HA ARG 17 -7.716 1.565 2.470 133 HB2 ARG 17 2HB ARG 17 -6.800 3.318 0.951 134 HB3 ARG 17 1HB ARG 17 -5.578 2.215 1.543 135 HG2 ARG 17 2HG ARG 17 -5.653 1.028 -0.630 136 HG3 ARG 17 1HG ARG 17 -6.805 2.239 -1.205 137 HD2 ARG 17 2HD ARG 17 -5.174 4.004 -0.801 138 HD3 ARG 17 1HD ARG 17 -4.039 2.813 -0.179 139 HE ARG 17 HE ARG 17 -4.993 2.461 -2.894 140 HH11 ARG 17 1HH1 ARG 17 -2.381 3.539 -0.746 141 HH12 ARG 17 2HH1 ARG 17 -1.200 3.564 -1.982 142 HH21 ARG 17 1HH2 ARG 17 -3.329 2.472 -4.577 143 HH22 ARG 17 2HH2 ARG 17 -1.742 2.940 -4.163 144 H ARG 18 H ARG 18 -9.669 2.304 2.300 145 HA ARG 18 HA ARG 18 -11.797 2.614 1.638 146 HB2 ARG 18 2HB ARG 18 -10.667 3.889 -0.274 147 HB3 ARG 18 1HB ARG 18 -10.818 2.424 -1.233 148 HG2 ARG 18 2HG ARG 18 -13.282 2.543 -0.886 149 HG3 ARG 18 1HG ARG 18 -13.034 4.107 -0.109 150 HD2 ARG 18 2HD ARG 18 -11.953 4.909 -2.186 151 HD3 ARG 18 1HD ARG 18 -12.322 3.356 -2.926 152 HE ARG 18 HE ARG 18 -14.570 4.759 -1.807 153 HH11 ARG 18 1HH1 ARG 18 -12.705 4.047 -4.734 154 HH12 ARG 18 2HH1 ARG 18 -13.921 4.607 -5.791 155 HH21 ARG 18 1HH2 ARG 18 -16.224 5.499 -3.274 156 HH22 ARG 18 2HH2 ARG 18 -15.936 5.416 -4.962
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