NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
510881 | 2l62 | 17295 | cing | 1-original | 12 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 2.178 -3.898 10.428 2 HA2 GLY 1 HA2 GLY 1 2.688 -1.653 9.645 3 HA3 GLY 1 HA3 GLY 1 3.789 -2.100 10.957 4 H SER 2 H SER 2 5.862 -1.521 10.479 5 HA SER 2 HA SER 2 7.622 -0.733 9.329 6 HB2 SER 2 HB2 SER 2 7.825 -3.226 9.803 7 HB3 SER 2 HB3 SER 2 7.494 -3.500 8.088 8 HG SER 2 HG SER 2 9.738 -2.458 9.377 9 H GLY 3 H GLY 3 6.103 0.755 8.175 10 HA2 GLY 3 HA2 GLY 3 5.290 1.865 6.347 11 HA3 GLY 3 HA3 GLY 3 6.918 1.588 5.742 12 H CYS 4 H CYS 4 7.176 0.282 3.948 13 HA CYS 4 HA CYS 4 5.870 -1.903 3.065 14 HB2 CYS 4 HB2 CYS 4 4.079 0.345 2.708 15 HB3 CYS 4 HB3 CYS 4 4.630 -0.152 1.125 16 H ASP 5 H ASP 5 6.146 -2.454 0.824 17 HA ASP 5 HA ASP 5 8.061 -0.849 -0.724 18 HB2 ASP 5 HB2 ASP 5 8.175 -3.821 -0.877 19 HB3 ASP 5 HB3 ASP 5 9.411 -2.624 -1.205 20 H ASP 6 H ASP 6 7.943 -1.634 -3.075 21 HA ASP 6 HA ASP 6 5.356 -1.555 -4.147 22 HB2 ASP 6 HB2 ASP 6 6.327 -1.798 -6.238 23 HB3 ASP 6 HB3 ASP 6 7.645 -1.088 -5.289 24 H LYS 7 H LYS 7 7.235 -4.301 -3.028 25 HA LYS 7 HA LYS 7 5.972 -6.408 -4.386 26 HB2 LYS 7 HB2 LYS 7 6.850 -7.863 -2.718 27 HB3 LYS 7 HB3 LYS 7 7.996 -6.545 -2.872 28 HG2 LYS 7 HG2 LYS 7 6.711 -5.498 -0.832 29 HG3 LYS 7 HG3 LYS 7 6.050 -7.109 -0.597 30 HD2 LYS 7 HD2 LYS 7 9.021 -6.438 -0.694 31 HD3 LYS 7 HD3 LYS 7 8.065 -6.534 0.791 32 HE2 LYS 7 HE2 LYS 7 7.639 -8.908 0.454 33 HE3 LYS 7 HE3 LYS 7 8.482 -8.860 -1.111 34 HZ1 LYS 7 HZ1 LYS 7 10.491 -8.373 -0.046 35 HZ2 LYS 7 HZ2 LYS 7 9.899 -9.702 0.658 36 HZ3 LYS 7 HZ3 LYS 7 9.826 -8.265 1.468 37 H CYS 8 H CYS 8 4.811 -4.378 -1.805 38 HA CYS 8 HA CYS 8 2.443 -6.043 -1.292 39 HB2 CYS 8 HB2 CYS 8 3.789 -5.200 0.518 40 HB3 CYS 8 HB3 CYS 8 3.477 -3.546 0.013 41 H GLY 9 H GLY 9 2.987 -3.914 -3.850 42 HA2 GLY 9 HA2 GLY 9 1.528 -2.790 -5.148 43 HA3 GLY 9 HA3 GLY 9 0.203 -3.439 -4.170 44 H CYS 10 H CYS 10 3.002 -1.435 -3.571 45 HA CYS 10 HA CYS 10 1.452 0.921 -2.859 46 HB2 CYS 10 HB2 CYS 10 3.337 -0.121 -0.732 47 HB3 CYS 10 HB3 CYS 10 2.111 1.183 -0.635 48 H ALA 11 H ALA 11 2.758 2.711 -3.345 49 HA ALA 11 HA ALA 11 5.409 2.268 -4.306 50 HB1 ALA 11 HB1 ALA 11 4.170 4.878 -3.322 51 HB2 ALA 11 HB2 ALA 11 5.510 4.708 -4.470 52 HB3 ALA 11 HB3 ALA 11 3.879 4.209 -4.935 53 H VAL 12 H VAL 12 7.175 3.796 -3.301 54 HA VAL 12 HA VAL 12 7.340 3.358 -0.358 55 HB VAL 12 HB VAL 12 9.720 3.257 -2.252 56 HG11 VAL 12 HG11 VAL 12 10.166 3.817 0.122 57 HG12 VAL 12 HG12 VAL 12 9.285 2.349 0.635 58 HG13 VAL 12 HG13 VAL 12 10.790 2.222 -0.288 59 HG21 VAL 12 HG21 VAL 12 9.583 0.735 -1.754 60 HG22 VAL 12 HG22 VAL 12 7.884 1.069 -1.293 61 HG23 VAL 12 HG23 VAL 12 8.451 1.377 -2.946 62 HA PRO 13 HA PRO 13 7.027 4.734 1.315 63 HB2 PRO 13 HB2 PRO 13 5.558 6.846 2.179 64 HB3 PRO 13 HB3 PRO 13 7.348 6.824 2.322 65 HG2 PRO 13 HG2 PRO 13 5.681 8.070 0.100 66 HG3 PRO 13 HG3 PRO 13 6.948 8.865 1.086 67 HD2 PRO 13 HD2 PRO 13 7.535 7.817 -1.331 68 HD3 PRO 13 HD3 PRO 13 8.675 7.643 0.037 69 H CYS 14 H CYS 14 4.716 4.296 1.995 70 HA CYS 14 HA CYS 14 3.102 3.384 -0.119 71 HB2 CYS 14 HB2 CYS 14 3.004 3.583 2.784 72 HB3 CYS 14 HB3 CYS 14 1.470 4.049 2.155 73 HA PRO 15 HA PRO 15 1.215 7.089 -1.652 74 HB2 PRO 15 HB2 PRO 15 -1.459 6.115 -2.100 75 HB3 PRO 15 HB3 PRO 15 -0.107 6.289 -3.256 76 HG2 PRO 15 HG2 PRO 15 -1.087 3.899 -1.783 77 HG3 PRO 15 HG3 PRO 15 -0.192 4.004 -3.333 78 HD2 PRO 15 HD2 PRO 15 0.936 3.169 -0.951 79 HD3 PRO 15 HD3 PRO 15 1.862 3.957 -2.268 80 H GLY 16 H GLY 16 -0.941 5.319 0.628 81 HA2 GLY 16 HA2 GLY 16 -1.878 6.088 2.630 82 HA3 GLY 16 HA3 GLY 16 -1.126 7.652 2.334 83 H GLY 17 H GLY 17 -4.009 5.799 2.087 84 HA2 GLY 17 HA2 GLY 17 -6.166 6.538 1.540 85 HA3 GLY 17 HA3 GLY 17 -5.487 8.087 0.986 86 H THR 18 H THR 18 -4.585 8.249 -0.990 87 HA THR 18 HA THR 18 -5.538 7.628 -3.254 88 HB THR 18 HB THR 18 -2.527 7.724 -3.144 89 HG1 THR 18 HG1 THR 18 -4.278 9.681 -2.122 90 HG21 THR 18 HG21 THR 18 -3.686 7.931 -5.317 91 HG22 THR 18 HG22 THR 18 -2.820 9.413 -4.872 92 HG23 THR 18 HG23 THR 18 -4.576 9.343 -4.689 93 H GLY 19 H GLY 19 -6.319 5.343 -3.012 94 HA2 GLY 19 HA2 GLY 19 -6.376 3.241 -4.031 95 HA3 GLY 19 HA3 GLY 19 -4.872 3.695 -4.873 96 H CYS 20 H CYS 20 -4.818 3.717 -1.307 97 HA CYS 20 HA CYS 20 -2.716 1.749 -1.581 98 HB2 CYS 20 HB2 CYS 20 -2.451 3.466 0.269 99 HB3 CYS 20 HB3 CYS 20 -3.885 2.704 0.991 100 H ARG 21 H ARG 21 -3.110 -0.361 -1.893 101 HA ARG 21 HA ARG 21 -5.546 -1.551 -0.753 102 HB2 ARG 21 HB2 ARG 21 -4.929 -3.573 -1.903 103 HB3 ARG 21 HB3 ARG 21 -5.119 -2.188 -2.936 104 HG2 ARG 21 HG2 ARG 21 -2.905 -2.196 -3.628 105 HG3 ARG 21 HG3 ARG 21 -2.288 -2.668 -2.057 106 HD2 ARG 21 HD2 ARG 21 -2.786 -4.888 -2.295 107 HD3 ARG 21 HD3 ARG 21 -3.971 -4.629 -3.579 108 HE ARG 21 HE ARG 21 -1.212 -5.170 -3.964 109 HH11 ARG 21 HH11 ARG 21 -3.825 -3.099 -5.352 110 HH12 ARG 21 HH12 ARG 21 -3.377 -3.452 -6.972 111 HH21 ARG 21 HH21 ARG 21 -0.350 -5.091 -6.132 112 HH22 ARG 21 HH22 ARG 21 -1.345 -4.570 -7.440 113 H CYS 22 H CYS 22 -4.401 -0.878 1.337 114 HA CYS 22 HA CYS 22 -3.322 -3.368 2.680 115 HB2 CYS 22 HB2 CYS 22 -2.572 -0.606 3.689 116 HB3 CYS 22 HB3 CYS 22 -2.080 -2.156 4.316 117 H THR 23 H THR 23 -6.064 -1.398 2.527 118 HA THR 23 HA THR 23 -6.678 -1.998 5.356 119 HB THR 23 HB THR 23 -5.750 0.134 5.538 120 HG1 THR 23 HG1 THR 23 -7.868 0.103 6.405 121 HG21 THR 23 HG21 THR 23 -5.430 0.809 3.194 122 HG22 THR 23 HG22 THR 23 -6.201 2.075 4.094 123 HG23 THR 23 HG23 THR 23 -7.183 1.056 3.019 124 H SER 24 H SER 24 -8.931 -1.810 5.849 125 HA SER 24 HA SER 24 -10.618 -3.080 3.920 126 HB2 SER 24 HB2 SER 24 -12.281 -2.559 5.916 127 HB3 SER 24 HB3 SER 24 -11.072 -3.845 6.001 128 HG SER 24 HG SER 24 -11.088 -2.686 7.861 129 H ALA 25 H ALA 25 -10.777 -1.775 2.231 130 HA ALA 25 HA ALA 25 -12.810 0.244 2.158 131 HB1 ALA 25 HB1 ALA 25 -11.318 2.035 1.245 132 HB2 ALA 25 HB2 ALA 25 -10.992 1.706 2.951 133 HB3 ALA 25 HB3 ALA 25 -9.891 1.079 1.698 134 H ARG 26 H ARG 26 -13.618 -1.435 0.696 135 HA ARG 26 HA ARG 26 -12.605 -1.256 -1.990 136 HB2 ARG 26 HB2 ARG 26 -11.164 -3.095 -0.966 137 HB3 ARG 26 HB3 ARG 26 -12.625 -4.043 -0.717 138 HG2 ARG 26 HG2 ARG 26 -11.753 -2.966 -3.436 139 HG3 ARG 26 HG3 ARG 26 -11.232 -4.530 -2.804 140 HD2 ARG 26 HD2 ARG 26 -13.546 -5.322 -2.693 141 HD3 ARG 26 HD3 ARG 26 -14.130 -3.753 -3.285 142 HE ARG 26 HE ARG 26 -12.258 -4.733 -5.137 143 HH11 ARG 26 HH11 ARG 26 -15.534 -5.559 -3.962 144 HH12 ARG 26 HH12 ARG 26 -16.048 -6.127 -5.543 145 HH21 ARG 26 HH21 ARG 26 -13.181 -5.059 -7.213 146 HH22 ARG 26 HH22 ARG 26 -14.725 -5.916 -7.335 Start of MODEL 2 1 H1 GLY 1 H GLY 1 12.688 -4.219 9.784 2 HA2 GLY 1 HA2 GLY 1 10.376 -3.787 8.973 3 HA3 GLY 1 HA3 GLY 1 10.669 -3.228 10.637 4 H SER 2 H SER 2 10.160 -2.211 7.266 5 HA SER 2 HA SER 2 10.542 0.629 7.907 6 HB2 SER 2 HB2 SER 2 9.385 -0.509 5.362 7 HB3 SER 2 HB3 SER 2 10.317 0.978 5.601 8 HG SER 2 HG SER 2 12.111 -0.158 5.351 9 H GLY 3 H GLY 3 7.981 -1.608 8.263 10 HA2 GLY 3 HA2 GLY 3 5.839 -1.208 9.097 11 HA3 GLY 3 HA3 GLY 3 6.041 0.525 8.809 12 H CYS 4 H CYS 4 6.947 -0.780 5.898 13 HA CYS 4 HA CYS 4 4.507 -1.654 4.730 14 HB2 CYS 4 HB2 CYS 4 4.397 1.019 5.181 15 HB3 CYS 4 HB3 CYS 4 5.291 1.038 3.654 16 H ASP 5 H ASP 5 4.758 -2.026 2.481 17 HA ASP 5 HA ASP 5 7.290 -1.545 1.120 18 HB2 ASP 5 HB2 ASP 5 6.300 -4.379 1.729 19 HB3 ASP 5 HB3 ASP 5 7.652 -3.933 0.687 20 H ASP 6 H ASP 6 7.111 -2.777 -1.010 21 HA ASP 6 HA ASP 6 4.881 -1.987 -2.542 22 HB2 ASP 6 HB2 ASP 6 7.066 -2.220 -3.484 23 HB3 ASP 6 HB3 ASP 6 7.158 -3.927 -3.008 24 H LYS 7 H LYS 7 5.642 -5.073 -0.940 25 HA LYS 7 HA LYS 7 3.612 -6.638 -2.196 26 HB2 LYS 7 HB2 LYS 7 5.078 -6.891 0.456 27 HB3 LYS 7 HB3 LYS 7 3.917 -8.093 -0.064 28 HG2 LYS 7 HG2 LYS 7 6.295 -7.316 -1.790 29 HG3 LYS 7 HG3 LYS 7 6.382 -8.557 -0.539 30 HD2 LYS 7 HD2 LYS 7 4.589 -9.859 -1.703 31 HD3 LYS 7 HD3 LYS 7 4.539 -8.621 -2.962 32 HE2 LYS 7 HE2 LYS 7 5.875 -10.404 -3.813 33 HE3 LYS 7 HE3 LYS 7 6.949 -9.059 -3.440 34 HZ1 LYS 7 HZ1 LYS 7 7.432 -10.265 -1.309 35 HZ2 LYS 7 HZ2 LYS 7 7.956 -11.030 -2.654 36 HZ3 LYS 7 HZ3 LYS 7 6.601 -11.551 -1.887 37 H CYS 8 H CYS 8 3.176 -3.992 -0.155 38 HA CYS 8 HA CYS 8 0.565 -4.941 0.908 39 HB2 CYS 8 HB2 CYS 8 2.297 -4.077 2.470 40 HB3 CYS 8 HB3 CYS 8 2.333 -2.562 1.568 41 H GLY 9 H GLY 9 1.444 -3.625 -2.056 42 HA2 GLY 9 HA2 GLY 9 0.383 -2.306 -3.546 43 HA3 GLY 9 HA3 GLY 9 -1.069 -2.415 -2.533 44 H CYS 10 H CYS 10 2.188 -1.257 -2.254 45 HA CYS 10 HA CYS 10 1.438 1.513 -1.682 46 HB2 CYS 10 HB2 CYS 10 3.049 -0.018 0.431 47 HB3 CYS 10 HB3 CYS 10 2.516 1.643 0.452 48 H ALA 11 H ALA 11 2.899 2.780 -2.540 49 HA ALA 11 HA ALA 11 5.455 1.830 -3.493 50 HB1 ALA 11 HB1 ALA 11 4.116 3.693 -4.549 51 HB2 ALA 11 HB2 ALA 11 4.485 4.707 -3.131 52 HB3 ALA 11 HB3 ALA 11 5.780 4.160 -4.185 53 H VAL 12 H VAL 12 7.470 3.387 -2.766 54 HA VAL 12 HA VAL 12 7.460 3.525 0.213 55 HB VAL 12 HB VAL 12 9.641 2.401 -1.535 56 HG11 VAL 12 HG11 VAL 12 9.528 2.847 1.474 57 HG12 VAL 12 HG12 VAL 12 10.823 2.008 0.591 58 HG13 VAL 12 HG13 VAL 12 10.556 3.727 0.336 59 HG21 VAL 12 HG21 VAL 12 7.854 0.755 -1.178 60 HG22 VAL 12 HG22 VAL 12 9.228 0.339 -0.132 61 HG23 VAL 12 HG23 VAL 12 7.805 1.142 0.557 62 HA PRO 13 HA PRO 13 7.323 5.126 1.547 63 HB2 PRO 13 HB2 PRO 13 6.192 7.551 1.947 64 HB3 PRO 13 HB3 PRO 13 7.888 7.186 2.377 65 HG2 PRO 13 HG2 PRO 13 6.860 8.551 -0.122 66 HG3 PRO 13 HG3 PRO 13 8.207 9.057 0.943 67 HD2 PRO 13 HD2 PRO 13 8.597 7.664 -1.375 68 HD3 PRO 13 HD3 PRO 13 9.618 7.397 0.055 69 H CYS 14 H CYS 14 4.997 5.026 2.020 70 HA CYS 14 HA CYS 14 3.473 4.311 -0.302 71 HB2 CYS 14 HB2 CYS 14 3.223 3.252 1.914 72 HB3 CYS 14 HB3 CYS 14 2.594 4.776 2.581 73 HA PRO 15 HA PRO 15 1.749 8.331 -1.181 74 HB2 PRO 15 HB2 PRO 15 -0.511 7.632 -2.626 75 HB3 PRO 15 HB3 PRO 15 1.142 7.604 -3.282 76 HG2 PRO 15 HG2 PRO 15 -0.465 5.297 -2.177 77 HG3 PRO 15 HG3 PRO 15 0.536 5.340 -3.659 78 HD2 PRO 15 HD2 PRO 15 1.490 4.259 -1.381 79 HD3 PRO 15 HD3 PRO 15 2.531 5.236 -2.456 80 H GLY 16 H GLY 16 -0.332 5.753 0.001 81 HA2 GLY 16 HA2 GLY 16 -1.881 5.641 1.693 82 HA3 GLY 16 HA3 GLY 16 -1.447 7.290 2.186 83 H GLY 17 H GLY 17 -2.205 7.418 -1.076 84 HA2 GLY 17 HA2 GLY 17 -4.931 8.373 -0.561 85 HA3 GLY 17 HA3 GLY 17 -3.891 8.694 -1.968 86 H THR 18 H THR 18 -5.762 8.213 -3.176 87 HA THR 18 HA THR 18 -7.230 5.895 -3.382 88 HB THR 18 HB THR 18 -7.483 6.547 -5.782 89 HG1 THR 18 HG1 THR 18 -5.654 8.660 -5.223 90 HG21 THR 18 HG21 THR 18 -7.508 8.975 -3.919 91 HG22 THR 18 HG22 THR 18 -8.777 7.738 -4.013 92 HG23 THR 18 HG23 THR 18 -8.415 8.758 -5.417 93 H GLY 19 H GLY 19 -3.868 6.336 -4.417 94 HA2 GLY 19 HA2 GLY 19 -3.792 3.809 -5.877 95 HA3 GLY 19 HA3 GLY 19 -2.485 4.955 -5.655 96 H CYS 20 H CYS 20 -4.413 3.689 -2.869 97 HA CYS 20 HA CYS 20 -2.059 2.041 -2.071 98 HB2 CYS 20 HB2 CYS 20 -2.508 4.227 -0.736 99 HB3 CYS 20 HB3 CYS 20 -4.047 3.464 -0.281 100 H ARG 21 H ARG 21 -2.535 0.157 -0.967 101 HA ARG 21 HA ARG 21 -5.365 -0.756 -0.823 102 HB2 ARG 21 HB2 ARG 21 -2.931 -2.331 -1.671 103 HB3 ARG 21 HB3 ARG 21 -4.548 -2.970 -1.529 104 HG2 ARG 21 HG2 ARG 21 -3.907 -0.742 -3.500 105 HG3 ARG 21 HG3 ARG 21 -3.706 -2.438 -3.886 106 HD2 ARG 21 HD2 ARG 21 -6.338 -1.330 -2.841 107 HD3 ARG 21 HD3 ARG 21 -5.952 -1.346 -4.549 108 HE ARG 21 HE ARG 21 -6.727 -3.601 -2.887 109 HH11 ARG 21 HH11 ARG 21 -5.108 -2.698 -5.965 110 HH12 ARG 21 HH12 ARG 21 -4.968 -4.359 -6.464 111 HH21 ARG 21 HH21 ARG 21 -6.797 -5.739 -3.792 112 HH22 ARG 21 HH22 ARG 21 -6.166 -6.022 -5.356 113 H CYS 22 H CYS 22 -3.484 0.413 1.175 114 HA CYS 22 HA CYS 22 -2.452 -1.617 3.004 115 HB2 CYS 22 HB2 CYS 22 -3.309 1.264 3.576 116 HB3 CYS 22 HB3 CYS 22 -2.891 0.132 4.842 117 H THR 23 H THR 23 -5.576 0.126 2.779 118 HA THR 23 HA THR 23 -6.777 -0.850 5.090 119 HB THR 23 HB THR 23 -7.521 1.041 3.744 120 HG1 THR 23 HG1 THR 23 -9.749 0.516 3.765 121 HG21 THR 23 HG21 THR 23 -8.497 -0.930 1.634 122 HG22 THR 23 HG22 THR 23 -7.139 0.202 1.412 123 HG23 THR 23 HG23 THR 23 -8.764 0.805 1.636 124 H SER 24 H SER 24 -6.201 -2.501 2.071 125 HA SER 24 HA SER 24 -6.534 -4.396 1.193 126 HB2 SER 24 HB2 SER 24 -6.553 -6.450 2.388 127 HB3 SER 24 HB3 SER 24 -5.355 -5.317 3.018 128 HG SER 24 HG SER 24 -7.579 -6.429 4.182 129 H ALA 25 H ALA 25 -9.154 -3.083 2.887 130 HA ALA 25 HA ALA 25 -11.279 -4.746 1.929 131 HB1 ALA 25 HB1 ALA 25 -11.385 -3.200 3.920 132 HB2 ALA 25 HB2 ALA 25 -11.257 -1.814 2.820 133 HB3 ALA 25 HB3 ALA 25 -12.675 -2.881 2.749 134 H ARG 26 H ARG 26 -13.103 -3.444 0.515 135 HA ARG 26 HA ARG 26 -11.995 -1.797 -1.620 136 HB2 ARG 26 HB2 ARG 26 -11.389 -4.070 -2.334 137 HB3 ARG 26 HB3 ARG 26 -13.039 -4.640 -2.032 138 HG2 ARG 26 HG2 ARG 26 -13.921 -3.367 -3.843 139 HG3 ARG 26 HG3 ARG 26 -12.395 -2.503 -4.078 140 HD2 ARG 26 HD2 ARG 26 -11.303 -4.603 -4.743 141 HD3 ARG 26 HD3 ARG 26 -12.753 -5.524 -4.328 142 HE ARG 26 HE ARG 26 -13.778 -4.877 -6.249 143 HH11 ARG 26 HH11 ARG 26 -10.846 -2.835 -5.807 144 HH12 ARG 26 HH12 ARG 26 -11.135 -1.962 -7.272 145 HH21 ARG 26 HH21 ARG 26 -13.969 -3.762 -8.277 146 HH22 ARG 26 HH22 ARG 26 -12.831 -2.488 -8.676 Start of MODEL 3 1 H1 GLY 1 H GLY 1 5.752 -8.541 10.029 2 HA2 GLY 1 HA2 GLY 1 5.946 -7.551 12.270 3 HA3 GLY 1 HA3 GLY 1 7.317 -6.609 11.651 4 H SER 2 H SER 2 6.614 -4.502 11.341 5 HA SER 2 HA SER 2 3.984 -4.051 10.008 6 HB2 SER 2 HB2 SER 2 5.415 -2.192 11.936 7 HB3 SER 2 HB3 SER 2 3.803 -1.989 11.250 8 HG SER 2 HG SER 2 3.911 -2.852 13.451 9 H GLY 3 H GLY 3 4.248 -1.506 9.131 10 HA2 GLY 3 HA2 GLY 3 5.570 -0.027 7.829 11 HA3 GLY 3 HA3 GLY 3 6.876 -1.224 7.748 12 H CYS 4 H CYS 4 6.684 -0.578 5.301 13 HA CYS 4 HA CYS 4 5.165 -2.609 3.895 14 HB2 CYS 4 HB2 CYS 4 3.579 -0.659 4.523 15 HB3 CYS 4 HB3 CYS 4 4.451 0.274 3.298 16 H ASP 5 H ASP 5 5.746 -2.731 1.776 17 HA ASP 5 HA ASP 5 7.892 -0.908 0.771 18 HB2 ASP 5 HB2 ASP 5 7.902 -3.878 0.251 19 HB3 ASP 5 HB3 ASP 5 9.222 -2.738 0.071 20 H ASP 6 H ASP 6 8.372 -1.738 -1.639 21 HA ASP 6 HA ASP 6 6.172 -0.981 -3.211 22 HB2 ASP 6 HB2 ASP 6 8.446 -0.642 -3.899 23 HB3 ASP 6 HB3 ASP 6 8.673 -2.391 -4.109 24 H LYS 7 H LYS 7 7.260 -4.244 -2.276 25 HA LYS 7 HA LYS 7 5.793 -5.697 -4.182 26 HB2 LYS 7 HB2 LYS 7 6.011 -7.575 -2.841 27 HB3 LYS 7 HB3 LYS 7 7.427 -6.590 -2.463 28 HG2 LYS 7 HG2 LYS 7 6.280 -5.835 -0.351 29 HG3 LYS 7 HG3 LYS 7 4.906 -6.858 -0.774 30 HD2 LYS 7 HD2 LYS 7 5.957 -8.237 0.658 31 HD3 LYS 7 HD3 LYS 7 6.665 -8.826 -0.843 32 HE2 LYS 7 HE2 LYS 7 8.077 -6.610 0.674 33 HE3 LYS 7 HE3 LYS 7 8.033 -8.198 1.414 34 HZ1 LYS 7 HZ1 LYS 7 10.004 -7.844 0.126 35 HZ2 LYS 7 HZ2 LYS 7 9.183 -7.698 -1.271 36 HZ3 LYS 7 HZ3 LYS 7 9.156 -9.131 -0.459 37 H CYS 8 H CYS 8 4.650 -3.806 -1.531 38 HA CYS 8 HA CYS 8 1.939 -4.956 -1.634 39 HB2 CYS 8 HB2 CYS 8 3.057 -4.455 0.500 40 HB3 CYS 8 HB3 CYS 8 3.159 -2.765 0.020 41 H GLY 9 H GLY 9 3.380 -2.754 -3.852 42 HA2 GLY 9 HA2 GLY 9 2.350 -1.319 -5.273 43 HA3 GLY 9 HA3 GLY 9 0.777 -1.703 -4.535 44 H CYS 10 H CYS 10 3.869 -0.327 -3.563 45 HA CYS 10 HA CYS 10 2.671 2.165 -2.657 46 HB2 CYS 10 HB2 CYS 10 4.131 0.557 -0.557 47 HB3 CYS 10 HB3 CYS 10 3.093 2.009 -0.404 48 H ALA 11 H ALA 11 4.182 3.803 -2.822 49 HA ALA 11 HA ALA 11 6.855 3.241 -3.634 50 HB1 ALA 11 HB1 ALA 11 5.519 5.301 -4.271 51 HB2 ALA 11 HB2 ALA 11 5.854 5.928 -2.630 52 HB3 ALA 11 HB3 ALA 11 7.178 5.601 -3.748 53 H VAL 12 H VAL 12 8.630 4.827 -2.228 54 HA VAL 12 HA VAL 12 8.502 3.750 0.539 55 HB VAL 12 HB VAL 12 10.975 4.088 -1.139 56 HG11 VAL 12 HG11 VAL 12 10.424 2.828 1.598 57 HG12 VAL 12 HG12 VAL 12 11.953 2.698 0.707 58 HG13 VAL 12 HG13 VAL 12 11.402 4.275 1.272 59 HG21 VAL 12 HG21 VAL 12 11.014 1.650 -1.236 60 HG22 VAL 12 HG22 VAL 12 9.424 1.545 -0.420 61 HG23 VAL 12 HG23 VAL 12 9.574 2.238 -2.046 62 HA PRO 13 HA PRO 13 7.630 4.522 2.199 63 HB2 PRO 13 HB2 PRO 13 6.187 6.179 3.685 64 HB3 PRO 13 HB3 PRO 13 7.929 5.983 3.979 65 HG2 PRO 13 HG2 PRO 13 6.575 8.200 2.422 66 HG3 PRO 13 HG3 PRO 13 7.800 8.354 3.724 67 HD2 PRO 13 HD2 PRO 13 8.374 8.311 1.039 68 HD3 PRO 13 HD3 PRO 13 9.541 7.778 2.281 69 H CYS 14 H CYS 14 5.218 4.289 2.292 70 HA CYS 14 HA CYS 14 4.040 4.203 -0.183 71 HB2 CYS 14 HB2 CYS 14 3.414 3.010 1.917 72 HB3 CYS 14 HB3 CYS 14 2.660 4.492 2.510 73 HA PRO 15 HA PRO 15 2.994 8.493 -0.932 74 HB2 PRO 15 HB2 PRO 15 1.209 8.269 -3.019 75 HB3 PRO 15 HB3 PRO 15 2.977 8.043 -3.186 76 HG2 PRO 15 HG2 PRO 15 0.835 5.930 -2.841 77 HG3 PRO 15 HG3 PRO 15 2.181 5.961 -4.029 78 HD2 PRO 15 HD2 PRO 15 2.393 4.543 -1.737 79 HD3 PRO 15 HD3 PRO 15 3.780 5.472 -2.368 80 H GLY 16 H GLY 16 0.512 6.108 -0.421 81 HA2 GLY 16 HA2 GLY 16 -1.277 6.107 0.970 82 HA3 GLY 16 HA3 GLY 16 -1.041 7.816 1.331 83 H GLY 17 H GLY 17 -1.207 8.722 -1.481 84 HA2 GLY 17 HA2 GLY 17 -4.086 8.837 -1.718 85 HA3 GLY 17 HA3 GLY 17 -2.874 9.631 -2.734 86 H THR 18 H THR 18 -3.922 9.135 -4.636 87 HA THR 18 HA THR 18 -5.167 6.963 -5.628 88 HB THR 18 HB THR 18 -4.324 7.773 -7.874 89 HG1 THR 18 HG1 THR 18 -3.170 9.870 -7.643 90 HG21 THR 18 HG21 THR 18 -6.343 8.741 -6.787 91 HG22 THR 18 HG22 THR 18 -5.448 9.958 -7.721 92 HG23 THR 18 HG23 THR 18 -5.332 9.934 -5.958 93 H GLY 19 H GLY 19 -1.644 7.314 -5.386 94 HA2 GLY 19 HA2 GLY 19 -0.967 4.977 -6.889 95 HA3 GLY 19 HA3 GLY 19 0.085 5.955 -5.870 96 H CYS 20 H CYS 20 -2.778 4.568 -4.157 97 HA CYS 20 HA CYS 20 -0.975 2.406 -3.226 98 HB2 CYS 20 HB2 CYS 20 -1.171 4.391 -1.568 99 HB3 CYS 20 HB3 CYS 20 -2.902 3.970 -1.496 100 H ARG 21 H ARG 21 -1.923 0.674 -2.503 101 HA ARG 21 HA ARG 21 -4.870 0.238 -3.009 102 HB2 ARG 21 HB2 ARG 21 -2.404 -1.300 -3.885 103 HB3 ARG 21 HB3 ARG 21 -3.915 -2.160 -3.711 104 HG2 ARG 21 HG2 ARG 21 -3.937 0.374 -5.362 105 HG3 ARG 21 HG3 ARG 21 -3.220 -1.095 -6.023 106 HD2 ARG 21 HD2 ARG 21 -5.348 -2.334 -5.435 107 HD3 ARG 21 HD3 ARG 21 -6.046 -0.787 -4.948 108 HE ARG 21 HE ARG 21 -6.476 -0.331 -7.106 109 HH11 ARG 21 HH11 ARG 21 -3.827 -2.719 -7.185 110 HH12 ARG 21 HH12 ARG 21 -4.011 -3.065 -8.873 111 HH21 ARG 21 HH21 ARG 21 -6.774 -0.827 -9.241 112 HH22 ARG 21 HH22 ARG 21 -5.630 -1.779 -10.132 113 H CYS 22 H CYS 22 -3.010 0.595 -0.517 114 HA CYS 22 HA CYS 22 -2.982 -1.882 0.936 115 HB2 CYS 22 HB2 CYS 22 -2.976 0.934 2.125 116 HB3 CYS 22 HB3 CYS 22 -2.813 -0.543 3.024 117 H THR 23 H THR 23 -5.545 0.441 0.396 118 HA THR 23 HA THR 23 -7.194 -0.422 2.566 119 HB THR 23 HB THR 23 -7.410 1.738 1.605 120 HG1 THR 23 HG1 THR 23 -9.752 0.409 0.831 121 HG21 THR 23 HG21 THR 23 -8.126 2.349 -0.520 122 HG22 THR 23 HG22 THR 23 -8.540 0.702 -1.004 123 HG23 THR 23 HG23 THR 23 -6.843 1.205 -0.855 124 H SER 24 H SER 24 -7.827 -2.533 2.765 125 HA SER 24 HA SER 24 -8.043 -4.306 0.508 126 HB2 SER 24 HB2 SER 24 -9.011 -5.785 2.453 127 HB3 SER 24 HB3 SER 24 -7.307 -5.352 2.418 128 HG SER 24 HG SER 24 -8.204 -5.098 4.461 129 H ALA 25 H ALA 25 -10.242 -5.709 0.578 130 HA ALA 25 HA ALA 25 -12.525 -3.814 0.443 131 HB1 ALA 25 HB1 ALA 25 -11.860 -6.068 -1.482 132 HB2 ALA 25 HB2 ALA 25 -13.340 -5.086 -1.492 133 HB3 ALA 25 HB3 ALA 25 -11.777 -4.325 -1.839 134 H ARG 26 H ARG 26 -13.036 -4.354 2.522 135 HA ARG 26 HA ARG 26 -13.939 -5.493 4.255 136 HB2 ARG 26 HB2 ARG 26 -15.798 -5.201 2.623 137 HB3 ARG 26 HB3 ARG 26 -15.516 -6.846 2.042 138 HG2 ARG 26 HG2 ARG 26 -16.098 -7.737 4.310 139 HG3 ARG 26 HG3 ARG 26 -16.356 -6.060 4.880 140 HD2 ARG 26 HD2 ARG 26 -17.957 -5.725 3.002 141 HD3 ARG 26 HD3 ARG 26 -17.779 -7.435 2.555 142 HE ARG 26 HE ARG 26 -18.611 -7.419 5.227 143 HH11 ARG 26 HH11 ARG 26 -19.782 -6.229 2.065 144 HH12 ARG 26 HH12 ARG 26 -21.446 -6.315 2.513 145 HH21 ARG 26 HH21 ARG 26 -20.900 -7.245 5.847 146 HH22 ARG 26 HH22 ARG 26 -22.074 -6.874 4.627 Start of MODEL 4 1 H1 GLY 1 H GLY 1 3.122 -1.729 11.287 2 HA2 GLY 1 HA2 GLY 1 1.834 -1.104 9.236 3 HA3 GLY 1 HA3 GLY 1 2.031 0.561 9.766 4 H SER 2 H SER 2 4.958 -1.171 10.507 5 HA SER 2 HA SER 2 6.377 0.257 8.459 6 HB2 SER 2 HB2 SER 2 7.137 -0.021 10.804 7 HB3 SER 2 HB3 SER 2 7.168 -1.781 10.592 8 HG SER 2 HG SER 2 9.010 0.090 9.979 9 H GLY 3 H GLY 3 8.261 -1.180 7.468 10 HA2 GLY 3 HA2 GLY 3 8.869 -2.615 5.790 11 HA3 GLY 3 HA3 GLY 3 7.939 -3.835 6.667 12 H CYS 4 H CYS 4 6.743 -0.858 5.016 13 HA CYS 4 HA CYS 4 4.673 -2.480 3.719 14 HB2 CYS 4 HB2 CYS 4 4.583 0.021 4.492 15 HB3 CYS 4 HB3 CYS 4 5.373 0.337 2.944 16 H ASP 5 H ASP 5 4.408 -2.675 1.431 17 HA ASP 5 HA ASP 5 6.881 -2.449 -0.172 18 HB2 ASP 5 HB2 ASP 5 6.481 -4.773 1.043 19 HB3 ASP 5 HB3 ASP 5 5.153 -4.928 -0.129 20 H ASP 6 H ASP 6 6.345 -3.125 -2.394 21 HA ASP 6 HA ASP 6 4.190 -1.584 -3.533 22 HB2 ASP 6 HB2 ASP 6 6.340 -1.867 -4.682 23 HB3 ASP 6 HB3 ASP 6 6.103 -3.618 -4.720 24 H LYS 7 H LYS 7 4.719 -4.994 -2.612 25 HA LYS 7 HA LYS 7 2.549 -6.077 -4.111 26 HB2 LYS 7 HB2 LYS 7 2.425 -7.931 -2.596 27 HB3 LYS 7 HB3 LYS 7 4.093 -7.583 -3.018 28 HG2 LYS 7 HG2 LYS 7 4.715 -7.146 -0.876 29 HG3 LYS 7 HG3 LYS 7 3.208 -6.347 -0.453 30 HD2 LYS 7 HD2 LYS 7 3.511 -8.377 0.851 31 HD3 LYS 7 HD3 LYS 7 2.068 -8.486 -0.165 32 HE2 LYS 7 HE2 LYS 7 3.262 -9.898 -1.782 33 HE3 LYS 7 HE3 LYS 7 4.774 -9.694 -0.876 34 HZ1 LYS 7 HZ1 LYS 7 2.379 -11.065 0.219 35 HZ2 LYS 7 HZ2 LYS 7 3.862 -10.942 0.922 36 HZ3 LYS 7 HZ3 LYS 7 3.674 -11.796 -0.451 37 H CYS 8 H CYS 8 2.579 -4.202 -1.158 38 HA CYS 8 HA CYS 8 -0.213 -4.622 -0.519 39 HB2 CYS 8 HB2 CYS 8 1.642 -4.300 1.084 40 HB3 CYS 8 HB3 CYS 8 1.915 -2.680 0.446 41 H GLY 9 H GLY 9 0.915 -2.956 -3.221 42 HA2 GLY 9 HA2 GLY 9 -0.007 -1.334 -4.488 43 HA3 GLY 9 HA3 GLY 9 -1.454 -1.417 -3.451 44 H CYS 10 H CYS 10 1.938 -0.687 -3.067 45 HA CYS 10 HA CYS 10 1.393 2.039 -2.080 46 HB2 CYS 10 HB2 CYS 10 2.948 0.078 -0.312 47 HB3 CYS 10 HB3 CYS 10 2.555 1.768 -0.006 48 H ALA 11 H ALA 11 2.931 3.359 -2.785 49 HA ALA 11 HA ALA 11 5.241 2.411 -4.138 50 HB1 ALA 11 HB1 ALA 11 5.882 4.768 -4.312 51 HB2 ALA 11 HB2 ALA 11 4.168 4.572 -4.664 52 HB3 ALA 11 HB3 ALA 11 4.697 5.215 -3.083 53 H VAL 12 H VAL 12 7.527 3.309 -3.466 54 HA VAL 12 HA VAL 12 8.010 2.704 -0.585 55 HB VAL 12 HB VAL 12 9.591 2.132 -3.106 56 HG11 VAL 12 HG11 VAL 12 11.149 2.796 -1.244 57 HG12 VAL 12 HG12 VAL 12 10.464 1.467 -0.274 58 HG13 VAL 12 HG13 VAL 12 11.329 1.129 -1.779 59 HG21 VAL 12 HG21 VAL 12 9.360 -0.235 -2.340 60 HG22 VAL 12 HG22 VAL 12 8.358 0.313 -0.994 61 HG23 VAL 12 HG23 VAL 12 7.782 0.508 -2.666 62 HA PRO 13 HA PRO 13 8.124 3.920 1.120 63 HB2 PRO 13 HB2 PRO 13 7.657 6.150 2.560 64 HB3 PRO 13 HB3 PRO 13 9.305 5.541 2.310 65 HG2 PRO 13 HG2 PRO 13 7.937 7.798 0.857 66 HG3 PRO 13 HG3 PRO 13 9.603 7.728 1.482 67 HD2 PRO 13 HD2 PRO 13 8.863 7.184 -1.164 68 HD3 PRO 13 HD3 PRO 13 10.319 6.535 -0.363 69 H CYS 14 H CYS 14 5.952 3.961 2.053 70 HA CYS 14 HA CYS 14 3.953 4.288 0.046 71 HB2 CYS 14 HB2 CYS 14 3.793 2.611 1.799 72 HB3 CYS 14 HB3 CYS 14 3.665 3.845 3.032 73 HA PRO 15 HA PRO 15 3.040 8.660 0.705 74 HB2 PRO 15 HB2 PRO 15 0.771 8.890 -0.869 75 HB3 PRO 15 HB3 PRO 15 2.444 8.780 -1.508 76 HG2 PRO 15 HG2 PRO 15 0.420 6.551 -1.123 77 HG3 PRO 15 HG3 PRO 15 1.349 6.954 -2.594 78 HD2 PRO 15 HD2 PRO 15 2.218 5.019 -0.943 79 HD3 PRO 15 HD3 PRO 15 3.392 6.192 -1.605 80 H GLY 16 H GLY 16 0.702 6.132 1.266 81 HA2 GLY 16 HA2 GLY 16 -0.609 5.866 3.184 82 HA3 GLY 16 HA3 GLY 16 -0.440 7.581 3.589 83 H GLY 17 H GLY 17 -1.469 9.070 1.829 84 HA2 GLY 17 HA2 GLY 17 -4.258 8.341 1.560 85 HA3 GLY 17 HA3 GLY 17 -3.473 9.858 1.096 86 H THR 18 H THR 18 -4.535 10.020 -0.745 87 HA THR 18 HA THR 18 -5.405 8.581 -2.706 88 HB THR 18 HB THR 18 -3.809 11.130 -2.880 89 HG1 THR 18 HG1 THR 18 -5.525 12.016 -2.043 90 HG21 THR 18 HG21 THR 18 -5.958 10.015 -4.747 91 HG22 THR 18 HG22 THR 18 -4.281 10.454 -5.157 92 HG23 THR 18 HG23 THR 18 -5.437 11.717 -4.724 93 H GLY 19 H GLY 19 -4.556 6.774 -3.381 94 HA2 GLY 19 HA2 GLY 19 -3.226 6.035 -5.406 95 HA3 GLY 19 HA3 GLY 19 -1.811 6.722 -4.578 96 H CYS 20 H CYS 20 -2.911 5.721 -1.877 97 HA CYS 20 HA CYS 20 -1.584 3.127 -2.101 98 HB2 CYS 20 HB2 CYS 20 -1.198 4.819 -0.252 99 HB3 CYS 20 HB3 CYS 20 -2.880 4.586 0.209 100 H ARG 21 H ARG 21 -2.428 1.123 -1.490 101 HA ARG 21 HA ARG 21 -5.401 0.813 -1.287 102 HB2 ARG 21 HB2 ARG 21 -3.270 -1.013 -2.430 103 HB3 ARG 21 HB3 ARG 21 -4.961 -1.449 -2.272 104 HG2 ARG 21 HG2 ARG 21 -5.632 -0.303 -4.070 105 HG3 ARG 21 HG3 ARG 21 -4.642 1.116 -3.699 106 HD2 ARG 21 HD2 ARG 21 -2.643 0.009 -4.543 107 HD3 ARG 21 HD3 ARG 21 -3.580 -1.449 -4.938 108 HE ARG 21 HE ARG 21 -3.556 1.166 -6.303 109 HH11 ARG 21 HH11 ARG 21 -5.439 -1.875 -6.050 110 HH12 ARG 21 HH12 ARG 21 -5.839 -1.894 -7.720 111 HH21 ARG 21 HH21 ARG 21 -4.279 1.256 -8.411 112 HH22 ARG 21 HH22 ARG 21 -5.190 -0.042 -9.103 113 H CYS 22 H CYS 22 -3.164 1.085 0.856 114 HA CYS 22 HA CYS 22 -2.880 -1.447 2.267 115 HB2 CYS 22 HB2 CYS 22 -3.055 1.332 3.542 116 HB3 CYS 22 HB3 CYS 22 -2.751 -0.153 4.402 117 H THR 23 H THR 23 -5.345 1.173 2.453 118 HA THR 23 HA THR 23 -6.963 -0.069 4.420 119 HB THR 23 HB THR 23 -6.833 2.322 3.909 120 HG1 THR 23 HG1 THR 23 -8.591 2.159 4.950 121 HG21 THR 23 HG21 THR 23 -6.938 2.097 1.299 122 HG22 THR 23 HG22 THR 23 -7.817 3.414 2.072 123 HG23 THR 23 HG23 THR 23 -8.679 1.959 1.540 124 H SER 24 H SER 24 -7.317 0.049 0.861 125 HA SER 24 HA SER 24 -9.608 -1.362 0.431 126 HB2 SER 24 HB2 SER 24 -8.251 -0.037 -1.217 127 HB3 SER 24 HB3 SER 24 -7.101 -1.369 -1.290 128 HG SER 24 HG SER 24 -9.561 -1.077 -2.503 129 H ALA 25 H ALA 25 -9.934 -3.144 1.682 130 HA ALA 25 HA ALA 25 -8.166 -5.524 1.359 131 HB1 ALA 25 HB1 ALA 25 -9.157 -6.305 3.489 132 HB2 ALA 25 HB2 ALA 25 -8.325 -4.756 3.699 133 HB3 ALA 25 HB3 ALA 25 -10.104 -4.809 3.605 134 H ARG 26 H ARG 26 -9.641 -7.607 1.481 135 HA ARG 26 HA ARG 26 -11.534 -7.380 -0.706 136 HB2 ARG 26 HB2 ARG 26 -10.739 -9.684 1.106 137 HB3 ARG 26 HB3 ARG 26 -11.972 -9.813 -0.164 138 HG2 ARG 26 HG2 ARG 26 -10.364 -9.104 -1.880 139 HG3 ARG 26 HG3 ARG 26 -9.111 -8.866 -0.655 140 HD2 ARG 26 HD2 ARG 26 -8.685 -10.966 -1.737 141 HD3 ARG 26 HD3 ARG 26 -9.217 -11.263 -0.079 142 HE ARG 26 HE ARG 26 -11.067 -12.360 -0.829 143 HH11 ARG 26 HH11 ARG 26 -9.771 -10.497 -3.620 144 HH12 ARG 26 HH12 ARG 26 -10.653 -11.420 -4.779 145 HH21 ARG 26 HH21 ARG 26 -12.403 -13.353 -2.397 146 HH22 ARG 26 HH22 ARG 26 -12.095 -13.139 -4.088 Start of MODEL 5 1 H1 GLY 1 H GLY 1 13.487 -0.288 8.001 2 HA2 GLY 1 HA2 GLY 1 11.907 -0.362 6.126 3 HA3 GLY 1 HA3 GLY 1 12.520 -1.980 5.770 4 H SER 2 H SER 2 10.756 -0.062 8.274 5 HA SER 2 HA SER 2 9.350 -2.564 9.058 6 HB2 SER 2 HB2 SER 2 10.133 -0.294 10.891 7 HB3 SER 2 HB3 SER 2 9.229 -1.742 11.341 8 HG SER 2 HG SER 2 11.770 -1.357 11.481 9 H GLY 3 H GLY 3 7.268 -2.334 8.557 10 HA2 GLY 3 HA2 GLY 3 5.278 -0.804 9.159 11 HA3 GLY 3 HA3 GLY 3 6.089 0.372 8.097 12 H CYS 4 H CYS 4 6.806 -0.533 5.881 13 HA CYS 4 HA CYS 4 5.402 -2.788 4.870 14 HB2 CYS 4 HB2 CYS 4 3.836 -0.486 4.929 15 HB3 CYS 4 HB3 CYS 4 4.585 -0.430 3.332 16 H ASP 5 H ASP 5 5.720 -2.924 2.368 17 HA ASP 5 HA ASP 5 7.928 -1.422 1.258 18 HB2 ASP 5 HB2 ASP 5 7.818 -4.469 1.561 19 HB3 ASP 5 HB3 ASP 5 9.000 -3.589 0.601 20 H ASP 6 H ASP 6 8.175 -2.630 -0.953 21 HA ASP 6 HA ASP 6 5.792 -2.279 -2.494 22 HB2 ASP 6 HB2 ASP 6 7.299 -3.061 -4.369 23 HB3 ASP 6 HB3 ASP 6 7.911 -1.687 -3.437 24 H LYS 7 H LYS 7 7.248 -5.103 -0.930 25 HA LYS 7 HA LYS 7 6.123 -7.190 -2.503 26 HB2 LYS 7 HB2 LYS 7 6.557 -7.092 0.526 27 HB3 LYS 7 HB3 LYS 7 5.970 -8.494 -0.347 28 HG2 LYS 7 HG2 LYS 7 8.130 -9.052 -0.158 29 HG3 LYS 7 HG3 LYS 7 8.121 -8.354 -1.769 30 HD2 LYS 7 HD2 LYS 7 9.642 -6.774 -1.191 31 HD3 LYS 7 HD3 LYS 7 8.738 -6.317 0.247 32 HE2 LYS 7 HE2 LYS 7 10.919 -7.067 0.920 33 HE3 LYS 7 HE3 LYS 7 9.712 -8.211 1.520 34 HZ1 LYS 7 HZ1 LYS 7 10.394 -9.773 -0.149 35 HZ2 LYS 7 HZ2 LYS 7 11.726 -9.209 0.571 36 HZ3 LYS 7 HZ3 LYS 7 11.344 -8.640 -0.918 37 H CYS 8 H CYS 8 4.698 -5.134 -0.045 38 HA CYS 8 HA CYS 8 2.156 -6.511 0.032 39 HB2 CYS 8 HB2 CYS 8 2.985 -5.422 1.953 40 HB3 CYS 8 HB3 CYS 8 3.190 -3.897 1.087 41 H GLY 9 H GLY 9 3.405 -4.749 -2.616 42 HA2 GLY 9 HA2 GLY 9 2.282 -3.962 -4.405 43 HA3 GLY 9 HA3 GLY 9 0.726 -4.346 -3.621 44 H CYS 10 H CYS 10 3.597 -2.296 -3.016 45 HA CYS 10 HA CYS 10 1.784 -0.002 -2.811 46 HB2 CYS 10 HB2 CYS 10 3.765 -0.312 -0.572 47 HB3 CYS 10 HB3 CYS 10 2.278 0.737 -0.746 48 H ALA 11 H ALA 11 2.494 1.944 -3.344 49 HA ALA 11 HA ALA 11 4.951 2.218 -4.771 50 HB1 ALA 11 HB1 ALA 11 3.009 4.288 -3.606 51 HB2 ALA 11 HB2 ALA 11 4.307 4.647 -4.746 52 HB3 ALA 11 HB3 ALA 11 2.966 3.614 -5.257 53 H VAL 12 H VAL 12 6.640 3.912 -4.057 54 HA VAL 12 HA VAL 12 7.058 3.824 -1.103 55 HB VAL 12 HB VAL 12 9.174 3.600 -3.240 56 HG11 VAL 12 HG11 VAL 12 9.995 4.839 -1.272 57 HG12 VAL 12 HG12 VAL 12 9.333 3.587 -0.187 58 HG13 VAL 12 HG13 VAL 12 10.674 3.212 -1.287 59 HG21 VAL 12 HG21 VAL 12 8.422 1.544 -1.150 60 HG22 VAL 12 HG22 VAL 12 7.797 1.470 -2.819 61 HG23 VAL 12 HG23 VAL 12 9.526 1.360 -2.517 62 HA PRO 13 HA PRO 13 6.914 5.128 0.465 63 HB2 PRO 13 HB2 PRO 13 5.542 7.120 1.637 64 HB3 PRO 13 HB3 PRO 13 7.328 7.217 1.467 65 HG2 PRO 13 HG2 PRO 13 5.221 8.426 -0.374 66 HG3 PRO 13 HG3 PRO 13 6.601 9.229 0.424 67 HD2 PRO 13 HD2 PRO 13 6.759 8.276 -2.154 68 HD3 PRO 13 HD3 PRO 13 8.170 8.198 -1.051 69 H CYS 14 H CYS 14 4.705 4.483 1.336 70 HA CYS 14 HA CYS 14 2.830 4.238 -0.890 71 HB2 CYS 14 HB2 CYS 14 3.199 2.332 0.332 72 HB3 CYS 14 HB3 CYS 14 3.069 3.146 1.889 73 HA PRO 15 HA PRO 15 0.615 7.877 0.445 74 HB2 PRO 15 HB2 PRO 15 -1.809 7.486 -0.848 75 HB3 PRO 15 HB3 PRO 15 -0.315 8.109 -1.619 76 HG2 PRO 15 HG2 PRO 15 -1.403 5.278 -1.604 77 HG3 PRO 15 HG3 PRO 15 -0.732 6.196 -2.986 78 HD2 PRO 15 HD2 PRO 15 0.768 4.394 -1.631 79 HD3 PRO 15 HD3 PRO 15 1.486 5.920 -2.221 80 H GLY 16 H GLY 16 -1.302 4.864 0.483 81 HA2 GLY 16 HA2 GLY 16 -1.947 3.787 2.513 82 HA3 GLY 16 HA3 GLY 16 -1.939 5.323 3.358 83 H GLY 17 H GLY 17 -3.627 6.735 1.285 84 HA2 GLY 17 HA2 GLY 17 -6.208 5.852 2.267 85 HA3 GLY 17 HA3 GLY 17 -5.854 7.191 1.164 86 H THR 18 H THR 18 -7.566 6.646 -0.199 87 HA THR 18 HA THR 18 -8.290 4.264 -1.314 88 HB THR 18 HB THR 18 -8.619 6.245 -3.338 89 HG1 THR 18 HG1 THR 18 -9.303 7.376 -0.839 90 HG21 THR 18 HG21 THR 18 -10.479 5.504 -1.043 91 HG22 THR 18 HG22 THR 18 -10.311 4.609 -2.569 92 HG23 THR 18 HG23 THR 18 -10.948 6.261 -2.579 93 H GLY 19 H GLY 19 -5.454 6.188 -2.257 94 HA2 GLY 19 HA2 GLY 19 -4.983 4.780 -4.738 95 HA3 GLY 19 HA3 GLY 19 -3.890 5.888 -3.903 96 H CYS 20 H CYS 20 -5.136 3.188 -1.991 97 HA CYS 20 HA CYS 20 -2.861 1.475 -2.608 98 HB2 CYS 20 HB2 CYS 20 -1.946 3.036 -0.884 99 HB3 CYS 20 HB3 CYS 20 -3.289 2.612 0.193 100 H ARG 21 H ARG 21 -3.081 -0.610 -1.670 101 HA ARG 21 HA ARG 21 -5.949 -1.219 -0.914 102 HB2 ARG 21 HB2 ARG 21 -3.941 -2.796 -2.460 103 HB3 ARG 21 HB3 ARG 21 -5.412 -3.514 -1.801 104 HG2 ARG 21 HG2 ARG 21 -6.827 -2.351 -3.229 105 HG3 ARG 21 HG3 ARG 21 -5.749 -0.958 -3.360 106 HD2 ARG 21 HD2 ARG 21 -5.659 -2.052 -5.459 107 HD3 ARG 21 HD3 ARG 21 -4.120 -2.327 -4.591 108 HE ARG 21 HE ARG 21 -5.952 -4.455 -4.052 109 HH11 ARG 21 HH11 ARG 21 -4.048 -3.187 -6.801 110 HH12 ARG 21 HH12 ARG 21 -3.995 -4.734 -7.608 111 HH21 ARG 21 HH21 ARG 21 -5.692 -6.516 -5.096 112 HH22 ARG 21 HH22 ARG 21 -4.685 -6.668 -6.485 113 H CYS 22 H CYS 22 -3.222 -0.845 0.603 114 HA CYS 22 HA CYS 22 -2.951 -3.090 2.405 115 HB2 CYS 22 HB2 CYS 22 -2.674 -0.169 3.255 116 HB3 CYS 22 HB3 CYS 22 -2.149 -1.555 4.171 117 H THR 23 H THR 23 -5.493 -0.720 2.183 118 HA THR 23 HA THR 23 -6.754 -1.564 4.714 119 HB THR 23 HB THR 23 -5.945 0.709 4.836 120 HG1 THR 23 HG1 THR 23 -8.129 0.233 5.599 121 HG21 THR 23 HG21 THR 23 -7.512 1.308 2.289 122 HG22 THR 23 HG22 THR 23 -5.740 1.342 2.462 123 HG23 THR 23 HG23 THR 23 -6.726 2.506 3.331 124 H SER 24 H SER 24 -6.739 -2.640 1.805 125 HA SER 24 HA SER 24 -8.060 -3.370 0.224 126 HB2 SER 24 HB2 SER 24 -9.902 -3.732 2.593 127 HB3 SER 24 HB3 SER 24 -10.016 -4.586 1.032 128 HG SER 24 HG SER 24 -8.736 -5.576 2.828 129 H ALA 25 H ALA 25 -8.132 -0.505 0.194 130 HA ALA 25 HA ALA 25 -10.889 0.305 -0.259 131 HB1 ALA 25 HB1 ALA 25 -8.256 1.587 -1.146 132 HB2 ALA 25 HB2 ALA 25 -9.861 2.342 -1.208 133 HB3 ALA 25 HB3 ALA 25 -9.133 1.955 0.368 134 H ARG 26 H ARG 26 -11.779 0.759 -2.425 135 HA ARG 26 HA ARG 26 -11.001 -1.296 -4.363 136 HB2 ARG 26 HB2 ARG 26 -13.191 0.823 -4.476 137 HB3 ARG 26 HB3 ARG 26 -12.904 -0.457 -5.670 138 HG2 ARG 26 HG2 ARG 26 -13.188 -2.167 -3.837 139 HG3 ARG 26 HG3 ARG 26 -13.660 -0.849 -2.744 140 HD2 ARG 26 HD2 ARG 26 -15.564 -0.304 -4.274 141 HD3 ARG 26 HD3 ARG 26 -15.073 -1.679 -5.304 142 HE ARG 26 HE ARG 26 -15.355 -2.578 -2.639 143 HH11 ARG 26 HH11 ARG 26 -17.490 -1.579 -5.320 144 HH12 ARG 26 HH12 ARG 26 -18.760 -2.678 -4.869 145 HH21 ARG 26 HH21 ARG 26 -16.899 -4.068 -2.160 146 HH22 ARG 26 HH22 ARG 26 -18.308 -4.278 -3.170 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.138 4.512 8.149 2 HA2 GLY 1 HA2 GLY 1 1.752 2.255 8.888 3 HA3 GLY 1 HA3 GLY 1 2.401 2.616 7.271 4 H SER 2 H SER 2 3.402 0.831 9.600 5 HA SER 2 HA SER 2 5.807 2.114 10.566 6 HB2 SER 2 HB2 SER 2 4.973 -0.804 10.541 7 HB3 SER 2 HB3 SER 2 6.279 -0.108 11.505 8 HG SER 2 HG SER 2 4.813 0.404 12.907 9 H GLY 3 H GLY 3 5.595 -0.867 8.439 10 HA2 GLY 3 HA2 GLY 3 7.663 0.330 6.674 11 HA3 GLY 3 HA3 GLY 3 7.963 -1.219 7.499 12 H CYS 4 H CYS 4 7.589 -0.628 4.532 13 HA CYS 4 HA CYS 4 5.946 -2.897 3.896 14 HB2 CYS 4 HB2 CYS 4 4.248 -1.124 4.467 15 HB3 CYS 4 HB3 CYS 4 4.906 -0.153 3.180 16 H ASP 5 H ASP 5 5.888 -3.296 1.599 17 HA ASP 5 HA ASP 5 7.818 -1.702 -0.014 18 HB2 ASP 5 HB2 ASP 5 8.739 -3.845 0.945 19 HB3 ASP 5 HB3 ASP 5 7.460 -4.721 0.084 20 H ASP 6 H ASP 6 7.689 -2.630 -2.305 21 HA ASP 6 HA ASP 6 5.256 -1.865 -3.566 22 HB2 ASP 6 HB2 ASP 6 7.555 -1.708 -4.602 23 HB3 ASP 6 HB3 ASP 6 7.573 -3.471 -4.714 24 H LYS 7 H LYS 7 6.646 -4.974 -2.558 25 HA LYS 7 HA LYS 7 5.052 -6.834 -3.923 26 HB2 LYS 7 HB2 LYS 7 5.886 -6.803 -0.984 27 HB3 LYS 7 HB3 LYS 7 5.079 -8.175 -1.751 28 HG2 LYS 7 HG2 LYS 7 6.966 -8.426 -3.306 29 HG3 LYS 7 HG3 LYS 7 7.785 -7.062 -2.529 30 HD2 LYS 7 HD2 LYS 7 8.786 -8.914 -1.511 31 HD3 LYS 7 HD3 LYS 7 7.566 -8.437 -0.334 32 HE2 LYS 7 HE2 LYS 7 6.035 -10.202 -1.461 33 HE3 LYS 7 HE3 LYS 7 7.470 -10.711 -2.354 34 HZ1 LYS 7 HZ1 LYS 7 7.170 -10.758 0.582 35 HZ2 LYS 7 HZ2 LYS 7 8.538 -11.213 -0.233 36 HZ3 LYS 7 HZ3 LYS 7 7.190 -12.074 -0.413 37 H CYS 8 H CYS 8 4.304 -5.000 -1.000 38 HA CYS 8 HA CYS 8 1.586 -5.882 -0.810 39 HB2 CYS 8 HB2 CYS 8 2.929 -5.542 1.088 40 HB3 CYS 8 HB3 CYS 8 3.274 -3.878 0.638 41 H GLY 9 H GLY 9 2.332 -4.125 -3.396 42 HA2 GLY 9 HA2 GLY 9 1.254 -2.734 -4.694 43 HA3 GLY 9 HA3 GLY 9 -0.184 -3.024 -3.689 44 H CYS 10 H CYS 10 2.938 -1.699 -3.228 45 HA CYS 10 HA CYS 10 1.737 1.021 -2.691 46 HB2 CYS 10 HB2 CYS 10 3.544 -0.260 -0.603 47 HB3 CYS 10 HB3 CYS 10 2.736 1.319 -0.512 48 H ALA 11 H ALA 11 2.935 2.810 -3.004 49 HA ALA 11 HA ALA 11 5.583 2.503 -4.048 50 HB1 ALA 11 HB1 ALA 11 3.991 4.286 -4.788 51 HB2 ALA 11 HB2 ALA 11 4.158 5.057 -3.202 52 HB3 ALA 11 HB3 ALA 11 5.557 4.905 -4.248 53 H VAL 12 H VAL 12 7.304 4.053 -3.009 54 HA VAL 12 HA VAL 12 7.425 3.813 -0.063 55 HB VAL 12 HB VAL 12 9.647 3.231 -2.050 56 HG11 VAL 12 HG11 VAL 12 10.869 2.487 -0.061 57 HG12 VAL 12 HG12 VAL 12 10.444 4.199 0.074 58 HG13 VAL 12 HG13 VAL 12 9.513 2.979 0.976 59 HG21 VAL 12 HG21 VAL 12 9.509 0.897 -1.212 60 HG22 VAL 12 HG22 VAL 12 8.032 1.321 -0.313 61 HG23 VAL 12 HG23 VAL 12 8.058 1.359 -2.095 62 HA PRO 13 HA PRO 13 7.673 5.351 1.540 63 HB2 PRO 13 HB2 PRO 13 6.349 7.584 2.368 64 HB3 PRO 13 HB3 PRO 13 8.135 7.487 2.337 65 HG2 PRO 13 HG2 PRO 13 6.292 8.709 0.246 66 HG3 PRO 13 HG3 PRO 13 7.748 9.415 0.993 67 HD2 PRO 13 HD2 PRO 13 7.825 8.155 -1.425 68 HD3 PRO 13 HD3 PRO 13 9.203 8.075 -0.295 69 H CYS 14 H CYS 14 5.466 4.948 2.455 70 HA CYS 14 HA CYS 14 3.717 4.043 0.414 71 HB2 CYS 14 HB2 CYS 14 3.866 3.091 2.691 72 HB3 CYS 14 HB3 CYS 14 2.993 4.503 3.322 73 HA PRO 15 HA PRO 15 1.876 8.007 -0.420 74 HB2 PRO 15 HB2 PRO 15 -0.176 7.266 -2.123 75 HB3 PRO 15 HB3 PRO 15 1.573 7.306 -2.543 76 HG2 PRO 15 HG2 PRO 15 -0.089 4.931 -1.738 77 HG3 PRO 15 HG3 PRO 15 1.073 5.063 -3.100 78 HD2 PRO 15 HD2 PRO 15 1.717 3.949 -0.678 79 HD3 PRO 15 HD3 PRO 15 2.908 4.862 -1.633 80 H GLY 16 H GLY 16 -0.103 5.389 0.817 81 HA2 GLY 16 HA2 GLY 16 -1.742 5.389 2.431 82 HA3 GLY 16 HA3 GLY 16 -1.536 7.142 2.644 83 H GLY 17 H GLY 17 -3.566 4.674 1.431 84 HA2 GLY 17 HA2 GLY 17 -5.648 4.814 0.439 85 HA3 GLY 17 HA3 GLY 17 -5.493 6.579 0.380 86 H THR 18 H THR 18 -4.317 7.540 -1.360 87 HA THR 18 HA THR 18 -4.917 6.757 -3.858 88 HB THR 18 HB THR 18 -2.368 8.253 -3.187 89 HG1 THR 18 HG1 THR 18 -5.070 9.129 -2.924 90 HG21 THR 18 HG21 THR 18 -2.880 7.993 -5.583 91 HG22 THR 18 HG22 THR 18 -3.056 9.678 -5.083 92 HG23 THR 18 HG23 THR 18 -4.505 8.679 -5.329 93 H GLY 19 H GLY 19 -4.554 4.800 -4.704 94 HA2 GLY 19 HA2 GLY 19 -3.378 3.107 -5.795 95 HA3 GLY 19 HA3 GLY 19 -1.929 4.132 -5.627 96 H CYS 20 H CYS 20 -3.328 3.456 -2.556 97 HA CYS 20 HA CYS 20 -1.131 1.552 -2.033 98 HB2 CYS 20 HB2 CYS 20 -1.463 3.628 -0.592 99 HB3 CYS 20 HB3 CYS 20 -3.035 2.939 -0.124 100 H ARG 21 H ARG 21 -1.662 -0.569 -2.098 101 HA ARG 21 HA ARG 21 -4.459 -1.402 -1.519 102 HB2 ARG 21 HB2 ARG 21 -2.101 -2.954 -2.674 103 HB3 ARG 21 HB3 ARG 21 -3.728 -3.550 -2.426 104 HG2 ARG 21 HG2 ARG 21 -3.806 -3.054 -4.660 105 HG3 ARG 21 HG3 ARG 21 -4.514 -1.600 -3.959 106 HD2 ARG 21 HD2 ARG 21 -2.233 -0.497 -4.190 107 HD3 ARG 21 HD3 ARG 21 -1.653 -1.955 -4.987 108 HE ARG 21 HE ARG 21 -3.687 0.002 -5.935 109 HH11 ARG 21 HH11 ARG 21 -1.845 -2.951 -6.760 110 HH12 ARG 21 HH12 ARG 21 -1.846 -2.620 -8.454 111 HH21 ARG 21 HH21 ARG 21 -3.536 0.456 -8.283 112 HH22 ARG 21 HH22 ARG 21 -2.998 -0.822 -9.313 113 H CYS 22 H CYS 22 -3.304 -0.400 0.815 114 HA CYS 22 HA CYS 22 -2.033 -2.703 2.248 115 HB2 CYS 22 HB2 CYS 22 -2.470 0.192 3.134 116 HB3 CYS 22 HB3 CYS 22 -2.144 -1.098 4.225 117 H THR 23 H THR 23 -5.070 -0.888 2.045 118 HA THR 23 HA THR 23 -6.231 -1.990 4.425 119 HB THR 23 HB THR 23 -7.017 0.095 3.546 120 HG1 THR 23 HG1 THR 23 -9.292 -0.612 3.006 121 HG21 THR 23 HG21 THR 23 -6.440 -0.182 1.102 122 HG22 THR 23 HG22 THR 23 -8.039 0.466 1.397 123 HG23 THR 23 HG23 THR 23 -7.858 -1.236 0.945 124 H SER 24 H SER 24 -7.438 -3.890 4.648 125 HA SER 24 HA SER 24 -7.423 -5.780 2.362 126 HB2 SER 24 HB2 SER 24 -7.801 -6.264 5.336 127 HB3 SER 24 HB3 SER 24 -7.797 -7.510 4.057 128 HG SER 24 HG SER 24 -5.724 -7.224 5.054 129 H ALA 25 H ALA 25 -9.271 -3.380 3.096 130 HA ALA 25 HA ALA 25 -11.907 -4.729 2.924 131 HB1 ALA 25 HB1 ALA 25 -11.101 -1.932 3.845 132 HB2 ALA 25 HB2 ALA 25 -12.760 -2.503 3.680 133 HB3 ALA 25 HB3 ALA 25 -11.685 -3.275 4.864 134 H ARG 26 H ARG 26 -13.439 -3.614 1.444 135 HA ARG 26 HA ARG 26 -12.351 -3.390 -1.184 136 HB2 ARG 26 HB2 ARG 26 -14.667 -4.016 -0.955 137 HB3 ARG 26 HB3 ARG 26 -15.037 -2.561 -0.024 138 HG2 ARG 26 HG2 ARG 26 -14.577 -1.142 -2.001 139 HG3 ARG 26 HG3 ARG 26 -14.154 -2.567 -2.952 140 HD2 ARG 26 HD2 ARG 26 -16.880 -2.056 -1.682 141 HD3 ARG 26 HD3 ARG 26 -16.443 -1.578 -3.310 142 HE ARG 26 HE ARG 26 -16.004 -3.876 -3.878 143 HH11 ARG 26 HH11 ARG 26 -18.118 -3.390 -1.040 144 HH12 ARG 26 HH12 ARG 26 -19.089 -4.796 -1.378 145 HH21 ARG 26 HH21 ARG 26 -17.258 -5.780 -4.221 146 HH22 ARG 26 HH22 ARG 26 -18.542 -6.190 -3.111 Start of MODEL 7 1 H1 GLY 1 H GLY 1 4.379 -7.339 7.859 2 HA2 GLY 1 HA2 GLY 1 7.016 -6.078 8.372 3 HA3 GLY 1 HA3 GLY 1 5.987 -5.678 6.980 4 H SER 2 H SER 2 6.935 -3.943 9.152 5 HA SER 2 HA SER 2 4.877 -3.365 11.030 6 HB2 SER 2 HB2 SER 2 7.290 -1.814 10.005 7 HB3 SER 2 HB3 SER 2 6.256 -1.281 11.339 8 HG SER 2 HG SER 2 7.724 -3.740 11.175 9 H GLY 3 H GLY 3 5.901 -0.722 8.842 10 HA2 GLY 3 HA2 GLY 3 3.094 0.063 8.619 11 HA3 GLY 3 HA3 GLY 3 4.499 0.927 8.011 12 H CYS 4 H CYS 4 5.714 -0.298 6.120 13 HA CYS 4 HA CYS 4 4.172 -2.132 4.545 14 HB2 CYS 4 HB2 CYS 4 3.115 0.365 4.358 15 HB3 CYS 4 HB3 CYS 4 4.410 0.515 3.165 16 H ASP 5 H ASP 5 5.111 -2.551 2.394 17 HA ASP 5 HA ASP 5 7.812 -1.509 1.823 18 HB2 ASP 5 HB2 ASP 5 7.003 -4.445 1.689 19 HB3 ASP 5 HB3 ASP 5 8.594 -3.748 1.369 20 H ASP 6 H ASP 6 8.351 -2.139 -0.454 21 HA ASP 6 HA ASP 6 6.322 -1.483 -2.312 22 HB2 ASP 6 HB2 ASP 6 8.677 -1.118 -2.784 23 HB3 ASP 6 HB3 ASP 6 8.983 -2.857 -2.750 24 H LYS 7 H LYS 7 7.092 -4.434 -0.805 25 HA LYS 7 HA LYS 7 6.177 -6.440 -2.633 26 HB2 LYS 7 HB2 LYS 7 5.750 -6.324 0.372 27 HB3 LYS 7 HB3 LYS 7 5.592 -7.765 -0.630 28 HG2 LYS 7 HG2 LYS 7 8.196 -6.212 -0.338 29 HG3 LYS 7 HG3 LYS 7 7.693 -7.506 0.749 30 HD2 LYS 7 HD2 LYS 7 7.563 -9.050 -1.238 31 HD3 LYS 7 HD3 LYS 7 8.328 -7.778 -2.212 32 HE2 LYS 7 HE2 LYS 7 10.289 -7.779 -0.745 33 HE3 LYS 7 HE3 LYS 7 9.495 -8.863 0.400 34 HZ1 LYS 7 HZ1 LYS 7 9.558 -10.612 -1.181 35 HZ2 LYS 7 HZ2 LYS 7 11.069 -10.003 -1.074 36 HZ3 LYS 7 HZ3 LYS 7 10.172 -9.625 -2.372 37 H CYS 8 H CYS 8 4.453 -4.103 -0.650 38 HA CYS 8 HA CYS 8 1.780 -5.174 -1.168 39 HB2 CYS 8 HB2 CYS 8 2.527 -4.233 0.999 40 HB3 CYS 8 HB3 CYS 8 2.819 -2.685 0.200 41 H GLY 9 H GLY 9 3.787 -3.608 -3.310 42 HA2 GLY 9 HA2 GLY 9 3.479 -2.383 -5.160 43 HA3 GLY 9 HA3 GLY 9 1.732 -2.647 -4.994 44 H CYS 10 H CYS 10 3.806 -1.206 -2.640 45 HA CYS 10 HA CYS 10 2.285 1.425 -2.855 46 HB2 CYS 10 HB2 CYS 10 3.639 0.223 -0.398 47 HB3 CYS 10 HB3 CYS 10 2.909 1.800 -0.468 48 H ALA 11 H ALA 11 3.522 3.284 -3.173 49 HA ALA 11 HA ALA 11 6.322 3.003 -3.758 50 HB1 ALA 11 HB1 ALA 11 6.261 5.295 -4.302 51 HB2 ALA 11 HB2 ALA 11 4.584 4.827 -4.608 52 HB3 ALA 11 HB3 ALA 11 5.021 5.671 -3.113 53 H VAL 12 H VAL 12 7.830 4.735 -2.504 54 HA VAL 12 HA VAL 12 7.413 4.336 0.422 55 HB VAL 12 HB VAL 12 10.097 4.478 -0.974 56 HG11 VAL 12 HG11 VAL 12 9.171 3.448 1.754 57 HG12 VAL 12 HG12 VAL 12 10.838 3.496 1.146 58 HG13 VAL 12 HG13 VAL 12 9.983 5.001 1.456 59 HG21 VAL 12 HG21 VAL 12 10.293 2.056 -0.745 60 HG22 VAL 12 HG22 VAL 12 8.630 1.942 -0.152 61 HG23 VAL 12 HG23 VAL 12 8.963 2.424 -1.835 62 HA PRO 13 HA PRO 13 6.565 5.523 1.980 63 HB2 PRO 13 HB2 PRO 13 4.875 7.524 2.729 64 HB3 PRO 13 HB3 PRO 13 6.583 7.478 3.286 65 HG2 PRO 13 HG2 PRO 13 5.436 9.002 0.920 66 HG3 PRO 13 HG3 PRO 13 6.412 9.662 2.251 67 HD2 PRO 13 HD2 PRO 13 7.607 8.901 -0.077 68 HD3 PRO 13 HD3 PRO 13 8.387 8.555 1.479 69 H CYS 14 H CYS 14 4.143 5.169 2.042 70 HA CYS 14 HA CYS 14 3.220 4.517 -0.571 71 HB2 CYS 14 HB2 CYS 14 2.693 3.213 1.303 72 HB3 CYS 14 HB3 CYS 14 1.900 4.542 2.151 73 HA PRO 15 HA PRO 15 1.306 8.450 -1.607 74 HB2 PRO 15 HB2 PRO 15 -0.176 7.717 -3.799 75 HB3 PRO 15 HB3 PRO 15 1.602 7.904 -3.821 76 HG2 PRO 15 HG2 PRO 15 0.000 5.349 -3.457 77 HG3 PRO 15 HG3 PRO 15 1.358 5.646 -4.591 78 HD2 PRO 15 HD2 PRO 15 1.813 4.446 -2.229 79 HD3 PRO 15 HD3 PRO 15 2.939 5.705 -2.819 80 H GLY 16 H GLY 16 -0.378 5.627 -0.706 81 HA2 GLY 16 HA2 GLY 16 -2.259 5.235 0.500 82 HA3 GLY 16 HA3 GLY 16 -2.468 6.983 0.699 83 H GLY 17 H GLY 17 -2.895 7.818 -1.910 84 HA2 GLY 17 HA2 GLY 17 -5.592 6.765 -2.504 85 HA3 GLY 17 HA3 GLY 17 -4.788 8.193 -3.186 86 H THR 18 H THR 18 -4.821 7.935 -5.280 87 HA THR 18 HA THR 18 -4.768 5.660 -6.789 88 HB THR 18 HB THR 18 -3.780 7.168 -8.543 89 HG1 THR 18 HG1 THR 18 -3.523 9.328 -8.062 90 HG21 THR 18 HG21 THR 18 -6.186 6.970 -8.166 91 HG22 THR 18 HG22 THR 18 -5.781 8.629 -8.638 92 HG23 THR 18 HG23 THR 18 -6.145 8.243 -6.940 93 H GLY 19 H GLY 19 -3.499 4.074 -6.507 94 HA2 GLY 19 HA2 GLY 19 -1.257 3.155 -7.217 95 HA3 GLY 19 HA3 GLY 19 -0.514 4.470 -6.307 96 H CYS 20 H CYS 20 -3.368 3.255 -4.592 97 HA CYS 20 HA CYS 20 -1.466 1.613 -3.019 98 HB2 CYS 20 HB2 CYS 20 -2.339 3.734 -2.003 99 HB3 CYS 20 HB3 CYS 20 -3.916 2.940 -1.966 100 H ARG 21 H ARG 21 -1.914 -0.217 -2.402 101 HA ARG 21 HA ARG 21 -4.352 -1.803 -2.932 102 HB2 ARG 21 HB2 ARG 21 -1.425 -2.581 -3.299 103 HB3 ARG 21 HB3 ARG 21 -2.750 -3.717 -3.338 104 HG2 ARG 21 HG2 ARG 21 -2.673 -1.406 -5.294 105 HG3 ARG 21 HG3 ARG 21 -1.702 -2.863 -5.537 106 HD2 ARG 21 HD2 ARG 21 -3.586 -4.296 -5.636 107 HD3 ARG 21 HD3 ARG 21 -4.681 -3.026 -5.083 108 HE ARG 21 HE ARG 21 -3.349 -2.158 -7.437 109 HH11 ARG 21 HH11 ARG 21 -5.728 -4.640 -6.561 110 HH12 ARG 21 HH12 ARG 21 -6.655 -4.462 -8.022 111 HH21 ARG 21 HH21 ARG 21 -4.583 -1.900 -9.341 112 HH22 ARG 21 HH22 ARG 21 -5.934 -2.911 -9.682 113 H CYS 22 H CYS 22 -4.034 -0.399 -0.550 114 HA CYS 22 HA CYS 22 -2.801 -2.380 1.352 115 HB2 CYS 22 HB2 CYS 22 -3.525 0.529 1.966 116 HB3 CYS 22 HB3 CYS 22 -3.187 -0.697 3.138 117 H THR 23 H THR 23 -5.704 -1.219 -0.101 118 HA THR 23 HA THR 23 -7.407 -2.006 2.111 119 HB THR 23 HB THR 23 -7.905 -0.064 0.744 120 HG1 THR 23 HG1 THR 23 -9.919 -0.504 0.952 121 HG21 THR 23 HG21 THR 23 -8.617 -0.153 -1.585 122 HG22 THR 23 HG22 THR 23 -8.243 -1.888 -1.663 123 HG23 THR 23 HG23 THR 23 -6.953 -0.690 -1.488 124 H SER 24 H SER 24 -8.765 -3.834 2.038 125 HA SER 24 HA SER 24 -8.286 -5.904 -0.042 126 HB2 SER 24 HB2 SER 24 -8.267 -6.418 2.964 127 HB3 SER 24 HB3 SER 24 -8.250 -7.638 1.683 128 HG SER 24 HG SER 24 -6.244 -7.300 2.451 129 H ALA 25 H ALA 25 -10.162 -5.863 3.032 130 HA ALA 25 HA ALA 25 -12.709 -5.562 1.562 131 HB1 ALA 25 HB1 ALA 25 -12.053 -7.596 3.753 132 HB2 ALA 25 HB2 ALA 25 -13.652 -7.319 3.030 133 HB3 ALA 25 HB3 ALA 25 -12.336 -7.983 2.042 134 H ARG 26 H ARG 26 -14.368 -4.614 2.984 135 HA ARG 26 HA ARG 26 -13.638 -3.627 5.608 136 HB2 ARG 26 HB2 ARG 26 -12.633 -1.997 3.903 137 HB3 ARG 26 HB3 ARG 26 -14.279 -1.696 3.323 138 HG2 ARG 26 HG2 ARG 26 -14.907 -0.785 5.523 139 HG3 ARG 26 HG3 ARG 26 -13.348 -1.284 6.196 140 HD2 ARG 26 HD2 ARG 26 -13.250 1.077 5.777 141 HD3 ARG 26 HD3 ARG 26 -12.204 0.271 4.607 142 HE ARG 26 HE ARG 26 -13.850 0.570 2.904 143 HH11 ARG 26 HH11 ARG 26 -14.557 2.539 5.848 144 HH12 ARG 26 HH12 ARG 26 -15.598 3.603 4.951 145 HH21 ARG 26 HH21 ARG 26 -15.338 1.977 1.878 146 HH22 ARG 26 HH22 ARG 26 -16.072 3.267 2.802 Start of MODEL 8 1 H1 GLY 1 H GLY 1 14.101 -2.660 7.273 2 HA2 GLY 1 HA2 GLY 1 12.329 -3.901 6.172 3 HA3 GLY 1 HA3 GLY 1 12.672 -5.255 7.270 4 H SER 2 H SER 2 11.661 -1.772 7.283 5 HA SER 2 HA SER 2 9.914 -2.384 9.596 6 HB2 SER 2 HB2 SER 2 11.636 0.107 9.297 7 HB3 SER 2 HB3 SER 2 10.634 -0.371 10.684 8 HG SER 2 HG SER 2 12.784 -0.950 11.120 9 H GLY 3 H GLY 3 7.912 -1.373 9.452 10 HA2 GLY 3 HA2 GLY 3 6.163 -0.236 8.495 11 HA3 GLY 3 HA3 GLY 3 7.340 0.764 7.617 12 H CYS 4 H CYS 4 5.578 0.521 5.928 13 HA CYS 4 HA CYS 4 5.241 -2.059 4.591 14 HB2 CYS 4 HB2 CYS 4 3.608 -0.017 4.656 15 HB3 CYS 4 HB3 CYS 4 4.664 0.682 3.404 16 H ASP 5 H ASP 5 5.816 -2.342 2.205 17 HA ASP 5 HA ASP 5 8.042 -0.798 1.204 18 HB2 ASP 5 HB2 ASP 5 9.024 -2.575 2.743 19 HB3 ASP 5 HB3 ASP 5 8.238 -3.777 1.701 20 H ASP 6 H ASP 6 8.666 -1.985 -0.886 21 HA ASP 6 HA ASP 6 6.505 -1.896 -2.700 22 HB2 ASP 6 HB2 ASP 6 8.803 -1.461 -3.420 23 HB3 ASP 6 HB3 ASP 6 9.214 -3.170 -3.166 24 H LYS 7 H LYS 7 8.025 -4.733 -1.120 25 HA LYS 7 HA LYS 7 6.870 -6.745 -2.651 26 HB2 LYS 7 HB2 LYS 7 6.876 -8.187 -0.667 27 HB3 LYS 7 HB3 LYS 7 8.405 -7.364 -0.963 28 HG2 LYS 7 HG2 LYS 7 8.088 -5.883 0.896 29 HG3 LYS 7 HG3 LYS 7 6.397 -6.372 1.101 30 HD2 LYS 7 HD2 LYS 7 7.076 -8.632 1.721 31 HD3 LYS 7 HD3 LYS 7 8.785 -8.243 1.496 32 HE2 LYS 7 HE2 LYS 7 7.106 -6.578 3.394 33 HE3 LYS 7 HE3 LYS 7 7.624 -8.194 3.899 34 HZ1 LYS 7 HZ1 LYS 7 9.616 -6.284 2.884 35 HZ2 LYS 7 HZ2 LYS 7 9.832 -7.600 3.799 36 HZ3 LYS 7 HZ3 LYS 7 9.136 -6.255 4.466 37 H CYS 8 H CYS 8 5.200 -4.741 -0.297 38 HA CYS 8 HA CYS 8 2.781 -6.319 -0.224 39 HB2 CYS 8 HB2 CYS 8 3.525 -4.893 1.592 40 HB3 CYS 8 HB3 CYS 8 3.516 -3.487 0.523 41 H GLY 9 H GLY 9 3.994 -4.263 -2.748 42 HA2 GLY 9 HA2 GLY 9 2.933 -3.580 -4.688 43 HA3 GLY 9 HA3 GLY 9 1.348 -4.040 -4.003 44 H CYS 10 H CYS 10 4.103 -1.842 -3.198 45 HA CYS 10 HA CYS 10 2.368 0.420 -2.988 46 HB2 CYS 10 HB2 CYS 10 3.911 -0.339 -0.446 47 HB3 CYS 10 HB3 CYS 10 2.748 0.971 -0.719 48 H ALA 11 H ALA 11 3.378 2.275 -3.422 49 HA ALA 11 HA ALA 11 6.111 2.312 -4.158 50 HB1 ALA 11 HB1 ALA 11 5.706 4.737 -4.387 51 HB2 ALA 11 HB2 ALA 11 4.330 3.834 -5.024 52 HB3 ALA 11 HB3 ALA 11 4.215 4.601 -3.424 53 H VAL 12 H VAL 12 7.635 4.080 -3.159 54 HA VAL 12 HA VAL 12 7.589 3.924 -0.183 55 HB VAL 12 HB VAL 12 9.966 3.822 -2.071 56 HG11 VAL 12 HG11 VAL 12 11.255 3.263 -0.032 57 HG12 VAL 12 HG12 VAL 12 10.532 4.865 0.079 58 HG13 VAL 12 HG13 VAL 12 9.802 3.510 0.964 59 HG21 VAL 12 HG21 VAL 12 8.809 1.709 -2.263 60 HG22 VAL 12 HG22 VAL 12 10.222 1.470 -1.246 61 HG23 VAL 12 HG23 VAL 12 8.608 1.588 -0.505 62 HA PRO 13 HA PRO 13 7.003 5.317 1.339 63 HB2 PRO 13 HB2 PRO 13 5.396 7.373 2.102 64 HB3 PRO 13 HB3 PRO 13 7.161 7.396 2.370 65 HG2 PRO 13 HG2 PRO 13 5.620 8.668 0.090 66 HG3 PRO 13 HG3 PRO 13 6.855 9.427 1.145 67 HD2 PRO 13 HD2 PRO 13 7.494 8.396 -1.304 68 HD3 PRO 13 HD3 PRO 13 8.616 8.276 0.077 69 H CYS 14 H CYS 14 4.703 4.791 1.891 70 HA CYS 14 HA CYS 14 3.265 4.132 -0.541 71 HB2 CYS 14 HB2 CYS 14 3.424 2.572 1.374 72 HB3 CYS 14 HB3 CYS 14 2.400 3.630 2.324 73 HA PRO 15 HA PRO 15 0.809 7.914 -0.381 74 HB2 PRO 15 HB2 PRO 15 -1.194 7.133 -2.216 75 HB3 PRO 15 HB3 PRO 15 0.374 7.890 -2.605 76 HG2 PRO 15 HG2 PRO 15 -0.388 5.007 -2.735 77 HG3 PRO 15 HG3 PRO 15 0.711 5.978 -3.779 78 HD2 PRO 15 HD2 PRO 15 1.635 4.257 -1.894 79 HD3 PRO 15 HD3 PRO 15 2.492 5.765 -2.341 80 H GLY 16 H GLY 16 -0.943 4.783 -0.211 81 HA2 GLY 16 HA2 GLY 16 -2.422 4.074 1.461 82 HA3 GLY 16 HA3 GLY 16 -2.317 5.655 2.228 83 H GLY 17 H GLY 17 -3.082 6.553 -0.812 84 HA2 GLY 17 HA2 GLY 17 -5.864 6.926 -0.233 85 HA3 GLY 17 HA3 GLY 17 -4.983 7.369 -1.702 86 H THR 18 H THR 18 -7.122 6.611 -2.591 87 HA THR 18 HA THR 18 -7.849 3.866 -2.594 88 HB THR 18 HB THR 18 -9.318 5.765 -2.962 89 HG1 THR 18 HG1 THR 18 -9.453 4.134 -5.243 90 HG21 THR 18 HG21 THR 18 -7.894 6.061 -5.607 91 HG22 THR 18 HG22 THR 18 -8.158 7.281 -4.358 92 HG23 THR 18 HG23 THR 18 -9.529 6.694 -5.304 93 H GLY 19 H GLY 19 -5.061 5.135 -3.942 94 HA2 GLY 19 HA2 GLY 19 -4.896 3.400 -6.317 95 HA3 GLY 19 HA3 GLY 19 -3.740 4.629 -5.738 96 H CYS 20 H CYS 20 -4.634 2.898 -3.037 97 HA CYS 20 HA CYS 20 -2.265 1.103 -3.227 98 HB2 CYS 20 HB2 CYS 20 -1.960 2.905 -1.653 99 HB3 CYS 20 HB3 CYS 20 -3.517 2.580 -0.908 100 H ARG 21 H ARG 21 -2.464 -0.790 -1.729 101 HA ARG 21 HA ARG 21 -5.231 -1.994 -1.701 102 HB2 ARG 21 HB2 ARG 21 -2.580 -3.115 -2.698 103 HB3 ARG 21 HB3 ARG 21 -3.917 -4.157 -2.292 104 HG2 ARG 21 HG2 ARG 21 -4.098 -1.957 -4.391 105 HG3 ARG 21 HG3 ARG 21 -3.704 -3.644 -4.710 106 HD2 ARG 21 HD2 ARG 21 -5.915 -4.249 -3.527 107 HD3 ARG 21 HD3 ARG 21 -6.305 -2.530 -3.606 108 HE ARG 21 HE ARG 21 -6.428 -2.620 -5.956 109 HH11 ARG 21 HH11 ARG 21 -5.187 -5.727 -4.759 110 HH12 ARG 21 HH12 ARG 21 -5.796 -6.647 -6.101 111 HH21 ARG 21 HH21 ARG 21 -7.282 -3.857 -7.731 112 HH22 ARG 21 HH22 ARG 21 -6.686 -5.464 -7.983 113 H CYS 22 H CYS 22 -3.252 -0.769 0.447 114 HA CYS 22 HA CYS 22 -2.574 -3.077 2.068 115 HB2 CYS 22 HB2 CYS 22 -2.821 -0.185 3.000 116 HB3 CYS 22 HB3 CYS 22 -2.194 -1.513 3.928 117 H THR 23 H THR 23 -5.391 -0.929 1.926 118 HA THR 23 HA THR 23 -6.666 -2.166 4.232 119 HB THR 23 HB THR 23 -6.885 0.220 3.578 120 HG1 THR 23 HG1 THR 23 -9.007 0.362 4.010 121 HG21 THR 23 HG21 THR 23 -8.302 0.943 1.743 122 HG22 THR 23 HG22 THR 23 -8.629 -0.726 1.261 123 HG23 THR 23 HG23 THR 23 -7.000 -0.041 1.080 124 H SER 24 H SER 24 -9.044 -2.796 3.679 125 HA SER 24 HA SER 24 -9.121 -4.766 1.410 126 HB2 SER 24 HB2 SER 24 -10.402 -5.049 4.147 127 HB3 SER 24 HB3 SER 24 -10.425 -6.231 2.827 128 HG SER 24 HG SER 24 -8.901 -6.444 4.662 129 H ALA 25 H ALA 25 -10.833 -2.440 3.510 130 HA ALA 25 HA ALA 25 -13.423 -2.654 2.459 131 HB1 ALA 25 HB1 ALA 25 -13.712 -0.426 3.477 132 HB2 ALA 25 HB2 ALA 25 -12.744 -1.464 4.537 133 HB3 ALA 25 HB3 ALA 25 -11.957 -0.204 3.565 134 H ARG 26 H ARG 26 -14.578 -1.147 1.125 135 HA ARG 26 HA ARG 26 -13.042 -0.372 -1.260 136 HB2 ARG 26 HB2 ARG 26 -15.208 -1.663 -1.409 137 HB3 ARG 26 HB3 ARG 26 -16.063 -0.231 -0.807 138 HG2 ARG 26 HG2 ARG 26 -15.306 1.078 -2.732 139 HG3 ARG 26 HG3 ARG 26 -14.226 -0.230 -3.248 140 HD2 ARG 26 HD2 ARG 26 -16.214 -1.703 -3.607 141 HD3 ARG 26 HD3 ARG 26 -17.263 -0.330 -3.214 142 HE ARG 26 HE ARG 26 -15.371 -0.559 -5.522 143 HH11 ARG 26 HH11 ARG 26 -18.435 0.788 -4.290 144 HH12 ARG 26 HH12 ARG 26 -18.646 1.857 -5.634 145 HH21 ARG 26 HH21 ARG 26 -15.505 1.016 -7.095 146 HH22 ARG 26 HH22 ARG 26 -16.941 1.953 -7.343 Start of MODEL 9 1 H1 GLY 1 H GLY 1 3.136 6.075 7.116 2 HA2 GLY 1 HA2 GLY 1 2.447 4.553 8.918 3 HA3 GLY 1 HA3 GLY 1 1.188 3.945 7.824 4 H SER 2 H SER 2 4.288 3.418 9.005 5 HA SER 2 HA SER 2 5.730 2.384 6.795 6 HB2 SER 2 HB2 SER 2 6.019 1.666 9.731 7 HB3 SER 2 HB3 SER 2 7.294 1.769 8.505 8 HG SER 2 HG SER 2 7.018 3.506 10.119 9 H GLY 3 H GLY 3 6.661 -0.062 7.254 10 HA2 GLY 3 HA2 GLY 3 6.267 -2.311 7.513 11 HA3 GLY 3 HA3 GLY 3 4.626 -1.988 8.093 12 H CYS 4 H CYS 4 6.538 -1.393 5.063 13 HA CYS 4 HA CYS 4 4.676 -2.940 3.501 14 HB2 CYS 4 HB2 CYS 4 3.590 -0.600 3.954 15 HB3 CYS 4 HB3 CYS 4 4.805 -0.025 2.795 16 H ASP 5 H ASP 5 5.343 -3.340 1.496 17 HA ASP 5 HA ASP 5 7.829 -2.110 0.491 18 HB2 ASP 5 HB2 ASP 5 7.066 -4.996 0.109 19 HB3 ASP 5 HB3 ASP 5 8.643 -4.243 -0.056 20 H ASP 6 H ASP 6 8.069 -2.668 -1.800 21 HA ASP 6 HA ASP 6 6.227 -1.619 -3.539 22 HB2 ASP 6 HB2 ASP 6 7.720 -2.510 -5.242 23 HB3 ASP 6 HB3 ASP 6 8.676 -1.926 -3.881 24 H LYS 7 H LYS 7 6.698 -5.041 -2.643 25 HA LYS 7 HA LYS 7 4.976 -6.029 -4.716 26 HB2 LYS 7 HB2 LYS 7 4.839 -8.129 -3.165 27 HB3 LYS 7 HB3 LYS 7 6.213 -7.722 -4.161 28 HG2 LYS 7 HG2 LYS 7 7.193 -8.460 -2.242 29 HG3 LYS 7 HG3 LYS 7 7.318 -6.719 -2.049 30 HD2 LYS 7 HD2 LYS 7 5.332 -6.753 -0.551 31 HD3 LYS 7 HD3 LYS 7 5.147 -8.483 -0.807 32 HE2 LYS 7 HE2 LYS 7 7.470 -7.073 0.582 33 HE3 LYS 7 HE3 LYS 7 6.217 -8.051 1.344 34 HZ1 LYS 7 HZ1 LYS 7 8.477 -8.945 -0.293 35 HZ2 LYS 7 HZ2 LYS 7 7.172 -9.949 -0.018 36 HZ3 LYS 7 HZ3 LYS 7 8.057 -9.386 1.222 37 H CYS 8 H CYS 8 4.191 -4.504 -1.819 38 HA CYS 8 HA CYS 8 1.486 -5.626 -1.699 39 HB2 CYS 8 HB2 CYS 8 2.721 -5.024 0.342 40 HB3 CYS 8 HB3 CYS 8 2.777 -3.352 -0.191 41 H GLY 9 H GLY 9 2.598 -3.691 -4.137 42 HA2 GLY 9 HA2 GLY 9 1.539 -2.202 -5.515 43 HA3 GLY 9 HA3 GLY 9 0.010 -2.702 -4.757 44 H CYS 10 H CYS 10 2.985 -1.288 -3.610 45 HA CYS 10 HA CYS 10 1.782 1.254 -2.734 46 HB2 CYS 10 HB2 CYS 10 3.009 -0.764 -0.809 47 HB3 CYS 10 HB3 CYS 10 2.539 0.862 -0.373 48 H ALA 11 H ALA 11 3.405 2.793 -2.794 49 HA ALA 11 HA ALA 11 6.117 2.023 -3.339 50 HB1 ALA 11 HB1 ALA 11 5.104 4.134 -4.183 51 HB2 ALA 11 HB2 ALA 11 4.972 4.736 -2.517 52 HB3 ALA 11 HB3 ALA 11 6.561 4.451 -3.236 53 H VAL 12 H VAL 12 7.870 3.282 -1.835 54 HA VAL 12 HA VAL 12 7.319 2.673 1.016 55 HB VAL 12 HB VAL 12 9.861 1.989 -0.507 56 HG11 VAL 12 HG11 VAL 12 10.335 0.616 1.505 57 HG12 VAL 12 HG12 VAL 12 10.207 2.324 1.891 58 HG13 VAL 12 HG13 VAL 12 8.858 1.233 2.279 59 HG21 VAL 12 HG21 VAL 12 7.527 0.191 0.256 60 HG22 VAL 12 HG22 VAL 12 8.164 0.493 -1.381 61 HG23 VAL 12 HG23 VAL 12 9.142 -0.392 -0.223 62 HA PRO 13 HA PRO 13 6.757 4.159 2.537 63 HB2 PRO 13 HB2 PRO 13 5.559 6.580 2.975 64 HB3 PRO 13 HB3 PRO 13 7.091 6.103 3.752 65 HG2 PRO 13 HG2 PRO 13 6.716 7.768 1.245 66 HG3 PRO 13 HG3 PRO 13 7.735 8.141 2.671 67 HD2 PRO 13 HD2 PRO 13 8.762 7.014 0.419 68 HD3 PRO 13 HD3 PRO 13 9.349 6.542 2.036 69 H CYS 14 H CYS 14 4.453 4.016 2.415 70 HA CYS 14 HA CYS 14 3.456 3.825 -0.273 71 HB2 CYS 14 HB2 CYS 14 2.901 2.316 1.465 72 HB3 CYS 14 HB3 CYS 14 2.155 3.556 2.464 73 HA PRO 15 HA PRO 15 2.068 8.032 -0.727 74 HB2 PRO 15 HB2 PRO 15 -0.152 7.589 -2.431 75 HB3 PRO 15 HB3 PRO 15 1.573 7.689 -2.952 76 HG2 PRO 15 HG2 PRO 15 -0.128 5.256 -2.317 77 HG3 PRO 15 HG3 PRO 15 0.932 5.521 -3.728 78 HD2 PRO 15 HD2 PRO 15 1.821 4.085 -1.659 79 HD3 PRO 15 HD3 PRO 15 2.900 5.318 -2.381 80 H GLY 16 H GLY 16 -0.553 5.674 -0.438 81 HA2 GLY 16 HA2 GLY 16 -1.878 5.803 1.723 82 HA3 GLY 16 HA3 GLY 16 -2.191 7.501 1.247 83 H GLY 17 H GLY 17 -4.449 6.891 1.051 84 HA2 GLY 17 HA2 GLY 17 -5.878 4.989 -0.109 85 HA3 GLY 17 HA3 GLY 17 -6.254 6.687 -0.383 86 H THR 18 H THR 18 -5.086 7.728 -2.317 87 HA THR 18 HA THR 18 -5.707 6.462 -4.660 88 HB THR 18 HB THR 18 -3.549 8.581 -4.442 89 HG1 THR 18 HG1 THR 18 -5.100 10.101 -4.115 90 HG21 THR 18 HG21 THR 18 -5.943 8.217 -6.310 91 HG22 THR 18 HG22 THR 18 -4.250 7.848 -6.711 92 HG23 THR 18 HG23 THR 18 -4.740 9.518 -6.390 93 H GLY 19 H GLY 19 -4.875 4.468 -5.180 94 HA2 GLY 19 HA2 GLY 19 -3.216 3.252 -6.388 95 HA3 GLY 19 HA3 GLY 19 -1.975 4.331 -5.768 96 H CYS 20 H CYS 20 -3.710 3.468 -2.986 97 HA CYS 20 HA CYS 20 -1.584 1.524 -2.398 98 HB2 CYS 20 HB2 CYS 20 -2.016 3.219 -0.798 99 HB3 CYS 20 HB3 CYS 20 -3.763 2.789 -0.723 100 H ARG 21 H ARG 21 -1.833 -0.620 -2.781 101 HA ARG 21 HA ARG 21 -4.532 -1.839 -2.451 102 HB2 ARG 21 HB2 ARG 21 -1.915 -2.971 -3.530 103 HB3 ARG 21 HB3 ARG 21 -3.431 -3.836 -3.365 104 HG2 ARG 21 HG2 ARG 21 -3.343 -3.271 -5.598 105 HG3 ARG 21 HG3 ARG 21 -4.528 -2.168 -4.886 106 HD2 ARG 21 HD2 ARG 21 -3.015 -0.310 -5.042 107 HD3 ARG 21 HD3 ARG 21 -1.629 -1.376 -5.346 108 HE ARG 21 HE ARG 21 -3.460 -1.828 -7.419 109 HH11 ARG 21 HH11 ARG 21 -1.335 0.822 -6.265 110 HH12 ARG 21 HH12 ARG 21 -0.861 1.292 -7.850 111 HH21 ARG 21 HH21 ARG 21 -3.058 -0.966 -9.518 112 HH22 ARG 21 HH22 ARG 21 -1.934 0.330 -9.712 113 H CYS 22 H CYS 22 -3.525 -0.834 -0.035 114 HA CYS 22 HA CYS 22 -2.148 -3.110 1.390 115 HB2 CYS 22 HB2 CYS 22 -3.160 -0.477 2.559 116 HB3 CYS 22 HB3 CYS 22 -2.639 -1.840 3.503 117 H THR 23 H THR 23 -5.318 -1.405 1.298 118 HA THR 23 HA THR 23 -6.588 -3.097 3.169 119 HB THR 23 HB THR 23 -7.465 -0.959 2.537 120 HG1 THR 23 HG1 THR 23 -9.358 -2.659 1.396 121 HG21 THR 23 HG21 THR 23 -6.795 -0.769 0.151 122 HG22 THR 23 HG22 THR 23 -8.507 -0.435 0.383 123 HG23 THR 23 HG23 THR 23 -8.001 -1.997 -0.278 124 H SER 24 H SER 24 -7.116 -5.241 3.009 125 HA SER 24 HA SER 24 -6.476 -6.773 0.676 126 HB2 SER 24 HB2 SER 24 -8.024 -7.464 3.221 127 HB3 SER 24 HB3 SER 24 -7.299 -8.618 2.085 128 HG SER 24 HG SER 24 -5.375 -8.150 2.758 129 H ALA 25 H ALA 25 -9.618 -6.481 2.404 130 HA ALA 25 HA ALA 25 -11.058 -5.649 -0.018 131 HB1 ALA 25 HB1 ALA 25 -11.567 -8.179 1.614 132 HB2 ALA 25 HB2 ALA 25 -12.810 -7.410 0.599 133 HB3 ALA 25 HB3 ALA 25 -11.326 -8.029 -0.136 134 H ARG 26 H ARG 26 -13.049 -4.605 0.607 135 HA ARG 26 HA ARG 26 -13.721 -4.166 3.382 136 HB2 ARG 26 HB2 ARG 26 -11.893 -2.492 2.943 137 HB3 ARG 26 HB3 ARG 26 -12.848 -1.805 1.633 138 HG2 ARG 26 HG2 ARG 26 -14.206 -2.062 4.311 139 HG3 ARG 26 HG3 ARG 26 -12.860 -0.939 4.251 140 HD2 ARG 26 HD2 ARG 26 -15.091 -0.798 2.196 141 HD3 ARG 26 HD3 ARG 26 -15.234 -0.036 3.774 142 HE ARG 26 HE ARG 26 -13.175 0.594 1.686 143 HH11 ARG 26 HH11 ARG 26 -15.057 1.698 4.532 144 HH12 ARG 26 HH12 ARG 26 -14.467 3.296 4.458 145 HH21 ARG 26 HH21 ARG 26 -12.334 2.654 1.659 146 HH22 ARG 26 HH22 ARG 26 -12.890 3.887 2.760 Start of MODEL 10 1 H1 GLY 1 H GLY 1 4.544 -5.908 11.657 2 HA2 GLY 1 HA2 GLY 1 4.006 -3.699 12.600 3 HA3 GLY 1 HA3 GLY 1 5.530 -3.688 11.693 4 H SER 2 H SER 2 4.532 -1.255 11.914 5 HA SER 2 HA SER 2 2.547 -0.521 9.989 6 HB2 SER 2 HB2 SER 2 3.347 1.795 10.718 7 HB3 SER 2 HB3 SER 2 2.730 0.722 11.967 8 HG SER 2 HG SER 2 5.505 1.199 11.408 9 H GLY 3 H GLY 3 5.561 -1.603 9.161 10 HA2 GLY 3 HA2 GLY 3 6.279 0.520 7.255 11 HA3 GLY 3 HA3 GLY 3 7.156 -0.978 7.600 12 H CYS 4 H CYS 4 7.000 -0.490 4.986 13 HA CYS 4 HA CYS 4 5.354 -2.628 3.901 14 HB2 CYS 4 HB2 CYS 4 3.774 -0.628 4.030 15 HB3 CYS 4 HB3 CYS 4 4.899 0.216 2.956 16 H ASP 5 H ASP 5 5.857 -2.962 1.551 17 HA ASP 5 HA ASP 5 8.338 -1.689 0.607 18 HB2 ASP 5 HB2 ASP 5 7.604 -4.639 0.568 19 HB3 ASP 5 HB3 ASP 5 9.087 -3.954 -0.070 20 H ASP 6 H ASP 6 8.636 -2.573 -1.687 21 HA ASP 6 HA ASP 6 6.569 -1.784 -3.411 22 HB2 ASP 6 HB2 ASP 6 8.016 -2.332 -5.132 23 HB3 ASP 6 HB3 ASP 6 9.113 -1.935 -3.810 24 H LYS 7 H LYS 7 7.555 -5.007 -2.288 25 HA LYS 7 HA LYS 7 5.883 -6.547 -3.937 26 HB2 LYS 7 HB2 LYS 7 5.945 -8.317 -2.120 27 HB3 LYS 7 HB3 LYS 7 7.425 -7.773 -2.850 28 HG2 LYS 7 HG2 LYS 7 7.975 -8.172 -0.706 29 HG3 LYS 7 HG3 LYS 7 7.954 -6.423 -0.812 30 HD2 LYS 7 HD2 LYS 7 6.152 -6.259 0.701 31 HD3 LYS 7 HD3 LYS 7 5.469 -7.788 0.186 32 HE2 LYS 7 HE2 LYS 7 6.330 -8.005 2.461 33 HE3 LYS 7 HE3 LYS 7 7.179 -9.070 1.344 34 HZ1 LYS 7 HZ1 LYS 7 9.024 -7.452 1.340 35 HZ2 LYS 7 HZ2 LYS 7 8.712 -8.048 2.831 36 HZ3 LYS 7 HZ3 LYS 7 8.243 -6.538 2.463 37 H CYS 8 H CYS 8 4.965 -4.576 -1.305 38 HA CYS 8 HA CYS 8 2.301 -5.798 -1.056 39 HB2 CYS 8 HB2 CYS 8 3.496 -5.136 0.907 40 HB3 CYS 8 HB3 CYS 8 3.687 -3.503 0.297 41 H GLY 9 H GLY 9 3.324 -4.305 -3.692 42 HA2 GLY 9 HA2 GLY 9 2.408 -3.099 -5.308 43 HA3 GLY 9 HA3 GLY 9 0.847 -3.273 -4.481 44 H CYS 10 H CYS 10 3.806 -1.883 -3.322 45 HA CYS 10 HA CYS 10 2.472 0.836 -3.236 46 HB2 CYS 10 HB2 CYS 10 3.915 -0.475 -0.919 47 HB3 CYS 10 HB3 CYS 10 3.312 1.164 -0.916 48 H ALA 11 H ALA 11 3.533 2.524 -3.725 49 HA ALA 11 HA ALA 11 6.188 2.468 -4.671 50 HB1 ALA 11 HB1 ALA 11 4.447 4.789 -3.709 51 HB2 ALA 11 HB2 ALA 11 5.925 4.956 -4.669 52 HB3 ALA 11 HB3 ALA 11 4.506 4.163 -5.364 53 H VAL 12 H VAL 12 7.894 3.979 -3.646 54 HA VAL 12 HA VAL 12 8.019 3.621 -0.679 55 HB VAL 12 HB VAL 12 10.022 3.137 -2.905 56 HG11 VAL 12 HG11 VAL 12 10.630 2.892 0.058 57 HG12 VAL 12 HG12 VAL 12 11.714 2.577 -1.303 58 HG13 VAL 12 HG13 VAL 12 11.189 4.225 -0.977 59 HG21 VAL 12 HG21 VAL 12 8.403 1.258 -2.363 60 HG22 VAL 12 HG22 VAL 12 10.102 0.874 -2.052 61 HG23 VAL 12 HG23 VAL 12 9.003 1.287 -0.703 62 HA PRO 13 HA PRO 13 7.367 5.021 0.781 63 HB2 PRO 13 HB2 PRO 13 5.976 7.205 1.575 64 HB3 PRO 13 HB3 PRO 13 7.726 7.034 1.899 65 HG2 PRO 13 HG2 PRO 13 6.393 8.558 -0.347 66 HG3 PRO 13 HG3 PRO 13 7.687 9.127 0.753 67 HD2 PRO 13 HD2 PRO 13 8.195 8.112 -1.758 68 HD3 PRO 13 HD3 PRO 13 9.332 7.899 -0.397 69 H CYS 14 H CYS 14 5.021 4.694 1.153 70 HA CYS 14 HA CYS 14 3.625 4.237 -1.344 71 HB2 CYS 14 HB2 CYS 14 3.572 2.715 0.572 72 HB3 CYS 14 HB3 CYS 14 2.775 3.934 1.551 73 HA PRO 15 HA PRO 15 1.316 8.065 -1.539 74 HB2 PRO 15 HB2 PRO 15 -1.046 7.159 -2.781 75 HB3 PRO 15 HB3 PRO 15 0.490 7.576 -3.607 76 HG2 PRO 15 HG2 PRO 15 -0.542 4.865 -2.712 77 HG3 PRO 15 HG3 PRO 15 0.205 5.286 -4.278 78 HD2 PRO 15 HD2 PRO 15 1.679 4.107 -2.382 79 HD3 PRO 15 HD3 PRO 15 2.362 5.480 -3.299 80 H GLY 16 H GLY 16 -0.724 5.276 -0.685 81 HA2 GLY 16 HA2 GLY 16 -2.002 4.953 1.314 82 HA3 GLY 16 HA3 GLY 16 -1.766 6.663 1.730 83 H GLY 17 H GLY 17 -4.200 4.759 1.136 84 HA2 GLY 17 HA2 GLY 17 -6.343 4.950 0.383 85 HA3 GLY 17 HA3 GLY 17 -6.082 6.694 0.251 86 H THR 18 H THR 18 -5.724 7.622 -1.730 87 HA THR 18 HA THR 18 -6.799 6.359 -3.953 88 HB THR 18 HB THR 18 -4.984 8.771 -3.774 89 HG1 THR 18 HG1 THR 18 -7.081 9.768 -4.027 90 HG21 THR 18 HG21 THR 18 -6.798 7.803 -6.047 91 HG22 THR 18 HG22 THR 18 -5.015 7.908 -6.103 92 HG23 THR 18 HG23 THR 18 -5.971 9.374 -5.985 93 H GLY 19 H GLY 19 -6.144 4.668 -4.855 94 HA2 GLY 19 HA2 GLY 19 -4.827 3.272 -6.229 95 HA3 GLY 19 HA3 GLY 19 -3.550 4.499 -6.191 96 H CYS 20 H CYS 20 -4.852 3.272 -3.120 97 HA CYS 20 HA CYS 20 -2.219 1.991 -2.755 98 HB2 CYS 20 HB2 CYS 20 -2.627 3.720 -1.143 99 HB3 CYS 20 HB3 CYS 20 -4.017 2.782 -0.550 100 H ARG 21 H ARG 21 -1.817 0.206 -2.565 101 HA ARG 21 HA ARG 21 -3.750 -1.972 -2.367 102 HB2 ARG 21 HB2 ARG 21 -0.824 -1.989 -3.181 103 HB3 ARG 21 HB3 ARG 21 -1.875 -3.365 -3.074 104 HG2 ARG 21 HG2 ARG 21 -1.690 -2.876 -5.349 105 HG3 ARG 21 HG3 ARG 21 -3.326 -2.427 -4.870 106 HD2 ARG 21 HD2 ARG 21 -2.977 -0.161 -5.231 107 HD3 ARG 21 HD3 ARG 21 -1.229 -0.266 -5.038 108 HE ARG 21 HE ARG 21 -2.812 -0.763 -7.449 109 HH11 ARG 21 HH11 ARG 21 0.447 -0.913 -5.972 110 HH12 ARG 21 HH12 ARG 21 1.203 -1.315 -7.484 111 HH21 ARG 21 HH21 ARG 21 -1.682 -1.378 -9.442 112 HH22 ARG 21 HH22 ARG 21 0.055 -1.489 -9.387 113 H CYS 22 H CYS 22 -4.050 -1.371 -0.275 114 HA CYS 22 HA CYS 22 -2.286 -2.585 1.519 115 HB2 CYS 22 HB2 CYS 22 -2.674 0.332 2.179 116 HB3 CYS 22 HB3 CYS 22 -2.273 -0.882 3.355 117 H THR 23 H THR 23 -5.430 -1.649 0.737 118 HA THR 23 HA THR 23 -6.521 -2.452 3.324 119 HB THR 23 HB THR 23 -7.693 -0.726 2.267 120 HG1 THR 23 HG1 THR 23 -9.649 -1.572 2.303 121 HG21 THR 23 HG21 THR 23 -8.698 -0.914 -0.041 122 HG22 THR 23 HG22 THR 23 -7.674 -2.335 -0.321 123 HG23 THR 23 HG23 THR 23 -6.947 -0.742 -0.034 124 H SER 24 H SER 24 -8.317 -4.137 3.061 125 HA SER 24 HA SER 24 -7.510 -6.498 1.453 126 HB2 SER 24 HB2 SER 24 -7.008 -6.270 4.195 127 HB3 SER 24 HB3 SER 24 -8.574 -7.086 4.150 128 HG SER 24 HG SER 24 -7.549 -8.581 2.627 129 H ALA 25 H ALA 25 -9.941 -4.321 2.634 130 HA ALA 25 HA ALA 25 -12.012 -5.375 1.030 131 HB1 ALA 25 HB1 ALA 25 -12.156 -7.116 2.829 132 HB2 ALA 25 HB2 ALA 25 -12.339 -5.821 4.028 133 HB3 ALA 25 HB3 ALA 25 -13.567 -6.084 2.767 134 H ARG 26 H ARG 26 -11.776 -3.158 0.459 135 HA ARG 26 HA ARG 26 -11.930 -0.906 0.540 136 HB2 ARG 26 HB2 ARG 26 -14.252 -1.737 0.183 137 HB3 ARG 26 HB3 ARG 26 -14.556 -1.567 1.921 138 HG2 ARG 26 HG2 ARG 26 -14.023 0.911 1.717 139 HG3 ARG 26 HG3 ARG 26 -13.747 0.658 -0.012 140 HD2 ARG 26 HD2 ARG 26 -15.943 1.534 0.243 141 HD3 ARG 26 HD3 ARG 26 -16.075 -0.175 -0.215 142 HE ARG 26 HE ARG 26 -16.171 0.446 2.646 143 HH11 ARG 26 HH11 ARG 26 -18.136 -0.042 -0.311 144 HH12 ARG 26 HH12 ARG 26 -19.626 -0.167 0.581 145 HH21 ARG 26 HH21 ARG 26 -18.143 0.024 3.762 146 HH22 ARG 26 HH22 ARG 26 -19.650 0.166 2.922 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.874 0.315 11.414 2 HA2 GLY 1 HA2 GLY 1 0.861 0.961 9.231 3 HA3 GLY 1 HA3 GLY 1 1.582 2.555 9.483 4 H SER 2 H SER 2 2.820 2.126 7.440 5 HA SER 2 HA SER 2 4.568 1.427 6.202 6 HB2 SER 2 HB2 SER 2 5.885 1.263 8.930 7 HB3 SER 2 HB3 SER 2 6.751 1.259 7.389 8 HG SER 2 HG SER 2 6.343 3.312 8.634 9 H GLY 3 H GLY 3 2.764 -0.844 7.492 10 HA2 GLY 3 HA2 GLY 3 4.412 -3.159 7.617 11 HA3 GLY 3 HA3 GLY 3 2.652 -3.088 7.545 12 H CYS 4 H CYS 4 5.081 -1.953 5.157 13 HA CYS 4 HA CYS 4 4.677 -4.095 3.359 14 HB2 CYS 4 HB2 CYS 4 3.004 -1.690 2.911 15 HB3 CYS 4 HB3 CYS 4 4.082 -2.087 1.571 16 H ASP 5 H ASP 5 5.966 -3.833 1.413 17 HA ASP 5 HA ASP 5 8.143 -1.844 1.662 18 HB2 ASP 5 HB2 ASP 5 8.476 -4.839 1.200 19 HB3 ASP 5 HB3 ASP 5 9.768 -3.652 1.378 20 H ASP 6 H ASP 6 9.561 -2.163 -0.360 21 HA ASP 6 HA ASP 6 8.076 -1.613 -2.689 22 HB2 ASP 6 HB2 ASP 6 10.320 -0.811 -2.411 23 HB3 ASP 6 HB3 ASP 6 10.956 -2.462 -2.258 24 H LYS 7 H LYS 7 9.138 -4.688 -1.339 25 HA LYS 7 HA LYS 7 9.012 -6.311 -3.691 26 HB2 LYS 7 HB2 LYS 7 8.304 -7.071 -0.825 27 HB3 LYS 7 HB3 LYS 7 8.688 -8.195 -2.124 28 HG2 LYS 7 HG2 LYS 7 10.623 -6.137 -0.956 29 HG3 LYS 7 HG3 LYS 7 10.549 -7.825 -0.531 30 HD2 LYS 7 HD2 LYS 7 12.252 -7.941 -2.022 31 HD3 LYS 7 HD3 LYS 7 10.899 -8.266 -3.091 32 HE2 LYS 7 HE2 LYS 7 12.293 -6.761 -4.256 33 HE3 LYS 7 HE3 LYS 7 10.960 -5.747 -3.684 34 HZ1 LYS 7 HZ1 LYS 7 13.647 -5.985 -2.461 35 HZ2 LYS 7 HZ2 LYS 7 12.445 -5.085 -1.810 36 HZ3 LYS 7 HZ3 LYS 7 13.062 -4.686 -3.272 37 H CYS 8 H CYS 8 6.453 -4.861 -1.792 38 HA CYS 8 HA CYS 8 4.372 -6.478 -3.186 39 HB2 CYS 8 HB2 CYS 8 4.204 -6.299 -0.786 40 HB3 CYS 8 HB3 CYS 8 4.203 -4.542 -0.874 41 H GLY 9 H GLY 9 6.228 -4.016 -4.082 42 HA2 GLY 9 HA2 GLY 9 6.144 -2.442 -5.665 43 HA3 GLY 9 HA3 GLY 9 4.510 -2.998 -6.086 44 H CYS 10 H CYS 10 5.444 -1.991 -2.870 45 HA CYS 10 HA CYS 10 3.622 0.388 -3.191 46 HB2 CYS 10 HB2 CYS 10 4.114 -0.629 -0.471 47 HB3 CYS 10 HB3 CYS 10 2.659 0.134 -1.263 48 H ALA 11 H ALA 11 4.382 2.358 -2.731 49 HA ALA 11 HA ALA 11 7.161 2.775 -2.229 50 HB1 ALA 11 HB1 ALA 11 5.745 4.440 -3.377 51 HB2 ALA 11 HB2 ALA 11 4.723 4.618 -1.921 52 HB3 ALA 11 HB3 ALA 11 6.416 5.132 -1.902 53 H VAL 12 H VAL 12 7.887 4.134 -0.179 54 HA VAL 12 HA VAL 12 6.641 2.923 2.240 55 HB VAL 12 HB VAL 12 9.517 3.647 1.682 56 HG11 VAL 12 HG11 VAL 12 8.279 2.382 4.166 57 HG12 VAL 12 HG12 VAL 12 10.010 2.581 3.843 58 HG13 VAL 12 HG13 VAL 12 9.003 4.007 4.049 59 HG21 VAL 12 HG21 VAL 12 9.917 1.218 1.841 60 HG22 VAL 12 HG22 VAL 12 8.180 0.915 2.037 61 HG23 VAL 12 HG23 VAL 12 8.823 1.563 0.511 62 HA PRO 13 HA PRO 13 5.518 3.434 3.921 63 HB2 PRO 13 HB2 PRO 13 3.402 4.798 4.922 64 HB3 PRO 13 HB3 PRO 13 5.016 4.874 5.688 65 HG2 PRO 13 HG2 PRO 13 3.781 6.851 3.744 66 HG3 PRO 13 HG3 PRO 13 4.588 7.198 5.312 67 HD2 PRO 13 HD2 PRO 13 5.871 7.384 2.894 68 HD3 PRO 13 HD3 PRO 13 6.714 6.872 4.383 69 H CYS 14 H CYS 14 3.492 2.366 3.238 70 HA CYS 14 HA CYS 14 2.774 2.964 0.496 71 HB2 CYS 14 HB2 CYS 14 2.672 0.672 1.220 72 HB3 CYS 14 HB3 CYS 14 1.563 1.035 2.526 73 HA PRO 15 HA PRO 15 -0.123 6.183 1.893 74 HB2 PRO 15 HB2 PRO 15 -1.577 6.445 -0.491 75 HB3 PRO 15 HB3 PRO 15 -0.066 7.295 -0.091 76 HG2 PRO 15 HG2 PRO 15 -0.433 4.768 -1.711 77 HG3 PRO 15 HG3 PRO 15 0.626 6.165 -2.069 78 HD2 PRO 15 HD2 PRO 15 1.658 3.945 -0.977 79 HD3 PRO 15 HD3 PRO 15 2.176 5.543 -0.382 80 H GLY 16 H GLY 16 -1.105 3.293 0.102 81 HA2 GLY 16 HA2 GLY 16 -2.724 1.701 0.569 82 HA3 GLY 16 HA3 GLY 16 -3.080 2.541 2.069 83 H GLY 17 H GLY 17 -3.403 4.932 -0.283 84 HA2 GLY 17 HA2 GLY 17 -6.310 4.728 -0.278 85 HA3 GLY 17 HA3 GLY 17 -5.288 6.026 -0.951 86 H THR 18 H THR 18 -6.918 5.765 -2.765 87 HA THR 18 HA THR 18 -7.335 3.724 -4.445 88 HB THR 18 HB THR 18 -6.741 6.485 -5.518 89 HG1 THR 18 HG1 THR 18 -8.474 7.363 -4.523 90 HG21 THR 18 HG21 THR 18 -8.857 6.187 -6.671 91 HG22 THR 18 HG22 THR 18 -9.193 4.695 -5.768 92 HG23 THR 18 HG23 THR 18 -7.858 4.752 -6.943 93 H GLY 19 H GLY 19 -4.456 5.808 -4.383 94 HA2 GLY 19 HA2 GLY 19 -3.214 4.985 -6.749 95 HA3 GLY 19 HA3 GLY 19 -2.435 5.734 -5.350 96 H CYS 20 H CYS 20 -3.669 2.880 -4.083 97 HA CYS 20 HA CYS 20 -1.132 1.429 -4.781 98 HB2 CYS 20 HB2 CYS 20 -1.269 2.139 -2.381 99 HB3 CYS 20 HB3 CYS 20 -2.745 1.169 -2.218 100 H ARG 21 H ARG 21 -1.241 -0.734 -5.189 101 HA ARG 21 HA ARG 21 -3.842 -1.739 -6.225 102 HB2 ARG 21 HB2 ARG 21 -1.176 -3.168 -5.737 103 HB3 ARG 21 HB3 ARG 21 -2.578 -3.967 -6.432 104 HG2 ARG 21 HG2 ARG 21 -1.133 -1.605 -7.721 105 HG3 ARG 21 HG3 ARG 21 -0.876 -3.309 -8.086 106 HD2 ARG 21 HD2 ARG 21 -3.404 -3.394 -8.620 107 HD3 ARG 21 HD3 ARG 21 -3.333 -1.621 -8.652 108 HE ARG 21 HE ARG 21 -1.236 -2.325 -10.265 109 HH11 ARG 21 HH11 ARG 21 -4.705 -2.999 -10.454 110 HH12 ARG 21 HH12 ARG 21 -4.611 -3.803 -11.973 111 HH21 ARG 21 HH21 ARG 21 -1.137 -3.092 -12.340 112 HH22 ARG 21 HH22 ARG 21 -2.519 -3.807 -13.136 113 H CYS 22 H CYS 22 -2.091 -1.950 -3.337 114 HA CYS 22 HA CYS 22 -4.134 -3.668 -2.063 115 HB2 CYS 22 HB2 CYS 22 -2.650 -4.495 -0.590 116 HB3 CYS 22 HB3 CYS 22 -1.697 -4.395 -2.044 117 H THR 23 H THR 23 -5.596 -2.156 -1.884 118 HA THR 23 HA THR 23 -5.009 0.254 -0.246 119 HB THR 23 HB THR 23 -5.697 0.819 -2.552 120 HG1 THR 23 HG1 THR 23 -6.317 2.097 -0.747 121 HG21 THR 23 HG21 THR 23 -8.291 -0.646 -1.895 122 HG22 THR 23 HG22 THR 23 -7.115 -1.073 -3.164 123 HG23 THR 23 HG23 THR 23 -8.036 0.442 -3.264 124 H SER 24 H SER 24 -7.496 0.830 0.761 125 HA SER 24 HA SER 24 -8.668 -1.607 1.825 126 HB2 SER 24 HB2 SER 24 -8.448 -0.409 4.165 127 HB3 SER 24 HB3 SER 24 -7.181 -1.468 3.545 128 HG SER 24 HG SER 24 -6.999 1.065 4.274 129 H ALA 25 H ALA 25 -10.757 -1.280 2.564 130 HA ALA 25 HA ALA 25 -12.085 1.300 2.466 131 HB1 ALA 25 HB1 ALA 25 -12.722 -0.959 0.505 132 HB2 ALA 25 HB2 ALA 25 -13.739 0.459 0.767 133 HB3 ALA 25 HB3 ALA 25 -12.119 0.660 0.073 134 H ARG 26 H ARG 26 -14.611 0.678 2.993 135 HA ARG 26 HA ARG 26 -14.812 -1.833 4.498 136 HB2 ARG 26 HB2 ARG 26 -13.789 0.242 5.872 137 HB3 ARG 26 HB3 ARG 26 -15.473 0.719 5.992 138 HG2 ARG 26 HG2 ARG 26 -14.254 -1.963 6.835 139 HG3 ARG 26 HG3 ARG 26 -14.564 -0.609 7.914 140 HD2 ARG 26 HD2 ARG 26 -16.675 -2.221 6.436 141 HD3 ARG 26 HD3 ARG 26 -16.287 -2.310 8.136 142 HE ARG 26 HE ARG 26 -16.896 0.141 8.272 143 HH11 ARG 26 HH11 ARG 26 -18.419 -1.582 5.611 144 HH12 ARG 26 HH12 ARG 26 -20.020 -1.040 6.003 145 HH21 ARG 26 HH21 ARG 26 -18.835 1.082 8.557 146 HH22 ARG 26 HH22 ARG 26 -20.309 0.455 7.841 Start of MODEL 12 1 H1 GLY 1 H GLY 1 14.028 3.768 7.765 2 HA2 GLY 1 HA2 GLY 1 11.384 3.317 9.004 3 HA3 GLY 1 HA3 GLY 1 11.652 4.294 7.548 4 H SER 2 H SER 2 10.418 1.466 8.485 5 HA SER 2 HA SER 2 10.532 0.234 5.903 6 HB2 SER 2 HB2 SER 2 12.773 -0.468 6.780 7 HB3 SER 2 HB3 SER 2 11.981 -1.163 8.204 8 HG SER 2 HG SER 2 12.260 -2.797 6.822 9 H GLY 3 H GLY 3 8.266 0.319 6.111 10 HA2 GLY 3 HA2 GLY 3 7.034 -1.196 8.393 11 HA3 GLY 3 HA3 GLY 3 6.278 0.195 7.588 12 H CYS 4 H CYS 4 5.456 -0.042 5.512 13 HA CYS 4 HA CYS 4 4.744 -2.777 4.611 14 HB2 CYS 4 HB2 CYS 4 3.253 -0.699 4.743 15 HB3 CYS 4 HB3 CYS 4 4.131 -0.090 3.336 16 H ASP 5 H ASP 5 5.079 -3.371 2.316 17 HA ASP 5 HA ASP 5 7.557 -2.289 1.162 18 HB2 ASP 5 HB2 ASP 5 8.087 -4.613 0.611 19 HB3 ASP 5 HB3 ASP 5 7.885 -4.435 2.342 20 H ASP 6 H ASP 6 7.733 -3.263 -1.058 21 HA ASP 6 HA ASP 6 5.695 -2.229 -2.761 22 HB2 ASP 6 HB2 ASP 6 8.120 -2.430 -3.341 23 HB3 ASP 6 HB3 ASP 6 7.938 -4.181 -3.372 24 H LYS 7 H LYS 7 6.468 -5.503 -1.587 25 HA LYS 7 HA LYS 7 4.842 -6.905 -3.399 26 HB2 LYS 7 HB2 LYS 7 5.493 -7.628 -0.518 27 HB3 LYS 7 HB3 LYS 7 4.737 -8.678 -1.701 28 HG2 LYS 7 HG2 LYS 7 6.776 -9.310 -2.463 29 HG3 LYS 7 HG3 LYS 7 7.034 -7.683 -3.032 30 HD2 LYS 7 HD2 LYS 7 8.907 -8.154 -1.692 31 HD3 LYS 7 HD3 LYS 7 7.916 -7.082 -0.726 32 HE2 LYS 7 HE2 LYS 7 8.750 -8.780 0.717 33 HE3 LYS 7 HE3 LYS 7 7.041 -9.124 0.499 34 HZ1 LYS 7 HZ1 LYS 7 7.663 -10.915 -1.028 35 HZ2 LYS 7 HZ2 LYS 7 8.499 -11.084 0.352 36 HZ3 LYS 7 HZ3 LYS 7 9.255 -10.487 -0.960 37 H CYS 8 H CYS 8 3.909 -5.203 -0.350 38 HA CYS 8 HA CYS 8 1.183 -6.120 -0.534 39 HB2 CYS 8 HB2 CYS 8 2.306 -5.362 1.528 40 HB3 CYS 8 HB3 CYS 8 2.456 -3.760 0.840 41 H GLY 9 H GLY 9 2.529 -4.381 -3.066 42 HA2 GLY 9 HA2 GLY 9 1.586 -3.064 -4.644 43 HA3 GLY 9 HA3 GLY 9 0.025 -3.280 -3.850 44 H CYS 10 H CYS 10 3.096 -1.993 -2.681 45 HA CYS 10 HA CYS 10 1.835 0.673 -2.250 46 HB2 CYS 10 HB2 CYS 10 3.204 -0.899 -0.061 47 HB3 CYS 10 HB3 CYS 10 2.602 0.723 0.108 48 H ALA 11 H ALA 11 3.089 2.332 -2.614 49 HA ALA 11 HA ALA 11 5.807 1.975 -3.482 50 HB1 ALA 11 HB1 ALA 11 5.843 4.386 -3.723 51 HB2 ALA 11 HB2 ALA 11 4.286 3.795 -4.314 52 HB3 ALA 11 HB3 ALA 11 4.409 4.568 -2.717 53 H VAL 12 H VAL 12 7.538 3.491 -2.341 54 HA VAL 12 HA VAL 12 7.354 3.158 0.624 55 HB VAL 12 HB VAL 12 9.740 2.608 -1.176 56 HG11 VAL 12 HG11 VAL 12 10.371 3.576 1.029 57 HG12 VAL 12 HG12 VAL 12 9.427 2.306 1.840 58 HG13 VAL 12 HG13 VAL 12 10.860 1.889 0.870 59 HG21 VAL 12 HG21 VAL 12 8.111 0.758 -1.297 60 HG22 VAL 12 HG22 VAL 12 9.518 0.271 -0.344 61 HG23 VAL 12 HG23 VAL 12 7.999 0.708 0.475 62 HA PRO 13 HA PRO 13 6.909 4.610 2.155 63 HB2 PRO 13 HB2 PRO 13 5.509 6.857 2.766 64 HB3 PRO 13 HB3 PRO 13 7.250 6.671 3.154 65 HG2 PRO 13 HG2 PRO 13 6.053 8.050 0.726 66 HG3 PRO 13 HG3 PRO 13 7.243 8.708 1.897 67 HD2 PRO 13 HD2 PRO 13 8.055 7.582 -0.423 68 HD3 PRO 13 HD3 PRO 13 8.959 7.322 1.106 69 H CYS 14 H CYS 14 4.581 4.243 2.495 70 HA CYS 14 HA CYS 14 3.236 3.695 0.007 71 HB2 CYS 14 HB2 CYS 14 2.970 2.367 2.091 72 HB3 CYS 14 HB3 CYS 14 2.086 3.700 2.837 73 HA PRO 15 HA PRO 15 1.525 7.798 -0.559 74 HB2 PRO 15 HB2 PRO 15 -0.817 7.104 -2.027 75 HB3 PRO 15 HB3 PRO 15 0.860 7.357 -2.685 76 HG2 PRO 15 HG2 PRO 15 -0.555 4.825 -1.924 77 HG3 PRO 15 HG3 PRO 15 0.456 5.156 -3.373 78 HD2 PRO 15 HD2 PRO 15 1.463 3.806 -1.279 79 HD3 PRO 15 HD3 PRO 15 2.449 5.041 -2.117 80 H GLY 16 H GLY 16 -0.833 5.272 0.130 81 HA2 GLY 16 HA2 GLY 16 -2.415 5.116 1.871 82 HA3 GLY 16 HA3 GLY 16 -1.964 6.751 2.429 83 H GLY 17 H GLY 17 -4.638 5.544 1.733 84 HA2 GLY 17 HA2 GLY 17 -6.606 6.277 0.787 85 HA3 GLY 17 HA3 GLY 17 -5.773 7.784 0.347 86 H THR 18 H THR 18 -6.371 7.996 -1.695 87 HA THR 18 HA THR 18 -7.102 6.393 -3.677 88 HB THR 18 HB THR 18 -5.767 8.296 -5.106 89 HG1 THR 18 HG1 THR 18 -4.750 9.167 -3.291 90 HG21 THR 18 HG21 THR 18 -8.276 8.847 -3.471 91 HG22 THR 18 HG22 THR 18 -8.219 7.899 -4.985 92 HG23 THR 18 HG23 THR 18 -7.784 9.590 -5.006 93 H GLY 19 H GLY 19 -6.256 4.502 -4.088 94 HA2 GLY 19 HA2 GLY 19 -4.899 3.414 -5.811 95 HA3 GLY 19 HA3 GLY 19 -3.532 4.418 -5.286 96 H CYS 20 H CYS 20 -4.530 3.791 -2.374 97 HA CYS 20 HA CYS 20 -2.634 1.669 -2.126 98 HB2 CYS 20 HB2 CYS 20 -2.697 3.514 -0.561 99 HB3 CYS 20 HB3 CYS 20 -4.256 2.917 0.039 100 H ARG 21 H ARG 21 -2.447 -0.051 -1.634 101 HA ARG 21 HA ARG 21 -4.616 -2.020 -1.415 102 HB2 ARG 21 HB2 ARG 21 -1.686 -2.208 -2.228 103 HB3 ARG 21 HB3 ARG 21 -2.660 -3.597 -1.815 104 HG2 ARG 21 HG2 ARG 21 -2.918 -3.661 -4.053 105 HG3 ARG 21 HG3 ARG 21 -4.313 -2.652 -3.643 106 HD2 ARG 21 HD2 ARG 21 -3.114 -0.650 -4.312 107 HD3 ARG 21 HD3 ARG 21 -1.616 -1.555 -4.534 108 HE ARG 21 HE ARG 21 -2.852 -2.877 -6.306 109 HH11 ARG 21 HH11 ARG 21 -3.428 0.667 -5.881 110 HH12 ARG 21 HH12 ARG 21 -3.987 0.804 -7.520 111 HH21 ARG 21 HH21 ARG 21 -3.464 -2.594 -8.309 112 HH22 ARG 21 HH22 ARG 21 -3.898 -1.045 -8.975 113 H CYS 22 H CYS 22 -4.940 -1.160 0.628 114 HA CYS 22 HA CYS 22 -3.460 -2.522 2.650 115 HB2 CYS 22 HB2 CYS 22 -3.286 0.459 2.943 116 HB3 CYS 22 HB3 CYS 22 -3.158 -0.638 4.264 117 H THR 23 H THR 23 -6.210 -0.289 2.020 118 HA THR 23 HA THR 23 -7.453 -0.848 4.528 119 HB THR 23 HB THR 23 -7.897 1.096 3.056 120 HG1 THR 23 HG1 THR 23 -9.440 0.737 4.496 121 HG21 THR 23 HG21 THR 23 -7.937 -0.042 0.827 122 HG22 THR 23 HG22 THR 23 -9.349 0.972 1.123 123 HG23 THR 23 HG23 THR 23 -9.490 -0.787 1.272 124 H SER 24 H SER 24 -9.736 -2.040 4.547 125 HA SER 24 HA SER 24 -9.364 -4.705 3.249 126 HB2 SER 24 HB2 SER 24 -11.108 -3.926 5.617 127 HB3 SER 24 HB3 SER 24 -10.812 -5.552 4.974 128 HG SER 24 HG SER 24 -9.466 -5.308 6.655 129 H ALA 25 H ALA 25 -11.313 -1.830 3.476 130 HA ALA 25 HA ALA 25 -13.732 -2.883 2.330 131 HB1 ALA 25 HB1 ALA 25 -12.708 -0.007 2.551 132 HB2 ALA 25 HB2 ALA 25 -14.398 -0.523 2.332 133 HB3 ALA 25 HB3 ALA 25 -13.560 -0.884 3.846 134 H ARG 26 H ARG 26 -14.569 -1.472 0.385 135 HA ARG 26 HA ARG 26 -12.642 -1.380 -1.867 136 HB2 ARG 26 HB2 ARG 26 -13.897 -3.506 -2.047 137 HB3 ARG 26 HB3 ARG 26 -15.414 -2.666 -1.738 138 HG2 ARG 26 HG2 ARG 26 -15.439 -2.987 -4.060 139 HG3 ARG 26 HG3 ARG 26 -14.946 -1.307 -3.886 140 HD2 ARG 26 HD2 ARG 26 -13.426 -2.083 -5.460 141 HD3 ARG 26 HD3 ARG 26 -12.512 -2.255 -3.949 142 HE ARG 26 HE ARG 26 -14.038 -4.626 -4.680 143 HH11 ARG 26 HH11 ARG 26 -10.954 -2.956 -5.365 144 HH12 ARG 26 HH12 ARG 26 -10.136 -4.471 -5.693 145 HH21 ARG 26 HH21 ARG 26 -12.909 -6.533 -5.183 146 HH22 ARG 26 HH22 ARG 26 -11.236 -6.446 -5.656 Start of MODEL 13 1 H1 GLY 1 H GLY 1 5.603 0.051 12.684 2 HA2 GLY 1 HA2 GLY 1 2.682 -0.472 12.628 3 HA3 GLY 1 HA3 GLY 1 3.391 1.138 12.558 4 H SER 2 H SER 2 3.642 1.971 10.502 5 HA SER 2 HA SER 2 2.883 0.471 8.218 6 HB2 SER 2 HB2 SER 2 2.720 2.946 8.449 7 HB3 SER 2 HB3 SER 2 4.487 3.053 8.341 8 HG SER 2 HG SER 2 4.272 3.015 6.307 9 H GLY 3 H GLY 3 4.307 0.041 6.312 10 HA2 GLY 3 HA2 GLY 3 7.023 -0.048 6.112 11 HA3 GLY 3 HA3 GLY 3 6.701 -1.428 7.161 12 H CYS 4 H CYS 4 4.531 -0.358 4.493 13 HA CYS 4 HA CYS 4 4.527 -3.097 3.441 14 HB2 CYS 4 HB2 CYS 4 3.205 -0.516 2.785 15 HB3 CYS 4 HB3 CYS 4 3.651 -1.496 1.389 16 H ASP 5 H ASP 5 5.164 -3.673 1.413 17 HA ASP 5 HA ASP 5 7.630 -2.369 0.374 18 HB2 ASP 5 HB2 ASP 5 7.652 -4.688 1.506 19 HB3 ASP 5 HB3 ASP 5 6.605 -5.165 0.146 20 H ASP 6 H ASP 6 7.893 -3.084 -1.878 21 HA ASP 6 HA ASP 6 5.720 -2.081 -3.532 22 HB2 ASP 6 HB2 ASP 6 8.067 -1.639 -4.083 23 HB3 ASP 6 HB3 ASP 6 8.287 -3.362 -4.451 24 H LYS 7 H LYS 7 6.839 -5.259 -2.540 25 HA LYS 7 HA LYS 7 5.428 -6.677 -4.579 26 HB2 LYS 7 HB2 LYS 7 5.695 -8.646 -3.310 27 HB3 LYS 7 HB3 LYS 7 7.156 -7.670 -3.121 28 HG2 LYS 7 HG2 LYS 7 6.244 -6.980 -0.836 29 HG3 LYS 7 HG3 LYS 7 4.947 -8.142 -1.093 30 HD2 LYS 7 HD2 LYS 7 6.325 -9.574 -0.051 31 HD3 LYS 7 HD3 LYS 7 7.084 -9.751 -1.624 32 HE2 LYS 7 HE2 LYS 7 8.021 -7.965 0.671 33 HE3 LYS 7 HE3 LYS 7 8.699 -9.526 0.220 34 HZ1 LYS 7 HZ1 LYS 7 8.814 -7.069 -1.431 35 HZ2 LYS 7 HZ2 LYS 7 9.438 -8.526 -1.894 36 HZ3 LYS 7 HZ3 LYS 7 10.025 -7.724 -0.598 37 H CYS 8 H CYS 8 4.323 -5.006 -1.799 38 HA CYS 8 HA CYS 8 1.603 -6.156 -1.886 39 HB2 CYS 8 HB2 CYS 8 2.600 -5.530 0.252 40 HB3 CYS 8 HB3 CYS 8 2.744 -3.851 -0.280 41 H GLY 9 H GLY 9 3.142 -4.127 -4.095 42 HA2 GLY 9 HA2 GLY 9 2.397 -2.764 -5.679 43 HA3 GLY 9 HA3 GLY 9 0.723 -3.126 -5.173 44 H CYS 10 H CYS 10 3.603 -1.706 -3.709 45 HA CYS 10 HA CYS 10 2.167 0.819 -3.140 46 HB2 CYS 10 HB2 CYS 10 3.477 -0.810 -0.942 47 HB3 CYS 10 HB3 CYS 10 2.780 0.801 -0.759 48 H ALA 11 H ALA 11 3.404 2.601 -3.257 49 HA ALA 11 HA ALA 11 6.115 2.461 -4.041 50 HB1 ALA 11 HB1 ALA 11 6.042 4.912 -3.790 51 HB2 ALA 11 HB2 ALA 11 4.574 4.329 -4.591 52 HB3 ALA 11 HB3 ALA 11 4.532 4.795 -2.870 53 H VAL 12 H VAL 12 7.919 3.732 -2.776 54 HA VAL 12 HA VAL 12 7.907 2.708 0.002 55 HB VAL 12 HB VAL 12 10.210 3.161 -1.887 56 HG11 VAL 12 HG11 VAL 12 11.532 2.043 -0.102 57 HG12 VAL 12 HG12 VAL 12 10.918 3.611 0.414 58 HG13 VAL 12 HG13 VAL 12 10.135 2.121 0.986 59 HG21 VAL 12 HG21 VAL 12 10.424 0.688 -1.736 60 HG22 VAL 12 HG22 VAL 12 8.956 0.595 -0.755 61 HG23 VAL 12 HG23 VAL 12 8.867 1.139 -2.439 62 HA PRO 13 HA PRO 13 7.376 3.396 1.862 63 HB2 PRO 13 HB2 PRO 13 6.179 4.998 3.646 64 HB3 PRO 13 HB3 PRO 13 7.963 4.781 3.629 65 HG2 PRO 13 HG2 PRO 13 6.325 7.074 2.475 66 HG3 PRO 13 HG3 PRO 13 7.840 7.125 3.458 67 HD2 PRO 13 HD2 PRO 13 7.789 7.291 0.697 68 HD3 PRO 13 HD3 PRO 13 9.164 6.656 1.658 69 H CYS 14 H CYS 14 4.993 2.995 2.473 70 HA CYS 14 HA CYS 14 3.354 3.533 0.154 71 HB2 CYS 14 HB2 CYS 14 3.196 1.459 1.602 72 HB3 CYS 14 HB3 CYS 14 2.463 2.440 2.850 73 HA PRO 15 HA PRO 15 1.901 7.453 1.930 74 HB2 PRO 15 HB2 PRO 15 -0.196 8.031 0.225 75 HB3 PRO 15 HB3 PRO 15 1.527 8.279 -0.154 76 HG2 PRO 15 HG2 PRO 15 -0.224 5.946 -0.958 77 HG3 PRO 15 HG3 PRO 15 0.904 6.884 -1.974 78 HD2 PRO 15 HD2 PRO 15 1.631 4.499 -0.887 79 HD3 PRO 15 HD3 PRO 15 2.797 5.850 -0.994 80 H GLY 16 H GLY 16 -0.346 4.888 1.019 81 HA2 GLY 16 HA2 GLY 16 -2.136 3.901 2.102 82 HA3 GLY 16 HA3 GLY 16 -1.516 4.600 3.620 83 H GLY 17 H GLY 17 -2.839 5.852 0.541 84 HA2 GLY 17 HA2 GLY 17 -5.327 6.756 1.299 85 HA3 GLY 17 HA3 GLY 17 -4.142 8.101 1.424 86 H THR 18 H THR 18 -5.126 9.074 -0.376 87 HA THR 18 HA THR 18 -5.655 8.206 -2.876 88 HB THR 18 HB THR 18 -4.776 10.612 -3.405 89 HG1 THR 18 HG1 THR 18 -5.089 11.673 -1.077 90 HG21 THR 18 HG21 THR 18 -6.849 11.573 -2.423 91 HG22 THR 18 HG22 THR 18 -7.034 10.143 -1.383 92 HG23 THR 18 HG23 THR 18 -7.172 10.001 -3.150 93 H GLY 19 H GLY 19 -4.453 6.785 -3.879 94 HA2 GLY 19 HA2 GLY 19 -2.701 6.685 -5.640 95 HA3 GLY 19 HA3 GLY 19 -1.576 7.397 -4.488 96 H CYS 20 H CYS 20 -3.672 5.156 -2.976 97 HA CYS 20 HA CYS 20 -1.639 2.942 -3.288 98 HB2 CYS 20 HB2 CYS 20 -1.388 3.985 -1.083 99 HB3 CYS 20 HB3 CYS 20 -3.128 3.814 -0.801 100 H ARG 21 H ARG 21 -2.323 0.863 -3.015 101 HA ARG 21 HA ARG 21 -5.236 0.316 -3.378 102 HB2 ARG 21 HB2 ARG 21 -4.744 -1.463 -4.853 103 HB3 ARG 21 HB3 ARG 21 -4.042 0.031 -5.427 104 HG2 ARG 21 HG2 ARG 21 -2.063 -0.926 -5.697 105 HG3 ARG 21 HG3 ARG 21 -1.959 -1.238 -3.980 106 HD2 ARG 21 HD2 ARG 21 -1.595 -3.265 -5.398 107 HD3 ARG 21 HD3 ARG 21 -2.893 -3.454 -4.221 108 HE ARG 21 HE ARG 21 -4.293 -3.936 -5.897 109 HH11 ARG 21 HH11 ARG 21 -1.609 -2.179 -7.463 110 HH12 ARG 21 HH12 ARG 21 -2.448 -1.961 -8.941 111 HH21 ARG 21 HH21 ARG 21 -5.327 -3.788 -7.911 112 HH22 ARG 21 HH22 ARG 21 -4.605 -2.947 -9.240 113 H CYS 22 H CYS 22 -4.380 0.409 -0.709 114 HA CYS 22 HA CYS 22 -3.913 -2.486 -0.035 115 HB2 CYS 22 HB2 CYS 22 -3.693 -0.171 1.914 116 HB3 CYS 22 HB3 CYS 22 -3.598 -1.861 2.271 117 H THR 23 H THR 23 -5.771 0.289 1.272 118 HA THR 23 HA THR 23 -7.763 -1.337 2.386 119 HB THR 23 HB THR 23 -7.021 0.956 3.030 120 HG1 THR 23 HG1 THR 23 -9.412 1.628 3.286 121 HG21 THR 23 HG21 THR 23 -7.280 2.021 0.739 122 HG22 THR 23 HG22 THR 23 -7.937 2.913 2.099 123 HG23 THR 23 HG23 THR 23 -9.033 2.003 1.052 124 H SER 24 H SER 24 -7.283 -0.454 -0.897 125 HA SER 24 HA SER 24 -9.657 -0.299 -2.172 126 HB2 SER 24 HB2 SER 24 -7.348 -0.285 -3.151 127 HB3 SER 24 HB3 SER 24 -7.312 -2.043 -3.042 128 HG SER 24 HG SER 24 -9.289 -1.910 -4.447 129 H ALA 25 H ALA 25 -8.088 -3.557 -1.705 130 HA ALA 25 HA ALA 25 -10.704 -4.834 -2.087 131 HB1 ALA 25 HB1 ALA 25 -8.671 -5.678 -3.261 132 HB2 ALA 25 HB2 ALA 25 -7.951 -6.074 -1.676 133 HB3 ALA 25 HB3 ALA 25 -9.445 -6.872 -2.219 134 H ARG 26 H ARG 26 -11.834 -5.757 -0.456 135 HA ARG 26 HA ARG 26 -11.483 -4.943 2.205 136 HB2 ARG 26 HB2 ARG 26 -13.656 -5.582 1.091 137 HB3 ARG 26 HB3 ARG 26 -13.149 -7.272 1.169 138 HG2 ARG 26 HG2 ARG 26 -14.634 -6.886 2.987 139 HG3 ARG 26 HG3 ARG 26 -13.022 -7.031 3.689 140 HD2 ARG 26 HD2 ARG 26 -12.877 -4.549 3.863 141 HD3 ARG 26 HD3 ARG 26 -14.445 -4.403 3.077 142 HE ARG 26 HE ARG 26 -15.503 -5.445 4.946 143 HH11 ARG 26 HH11 ARG 26 -12.098 -4.653 5.702 144 HH12 ARG 26 HH12 ARG 26 -12.345 -4.789 7.410 145 HH21 ARG 26 HH21 ARG 26 -15.811 -5.530 7.107 146 HH22 ARG 26 HH22 ARG 26 -14.533 -5.163 8.240 Start of MODEL 14 1 H1 GLY 1 H GLY 1 3.080 2.690 12.741 2 HA2 GLY 1 HA2 GLY 1 1.947 1.194 10.449 3 HA3 GLY 1 HA3 GLY 1 2.748 2.780 10.346 4 H SER 2 H SER 2 3.159 -0.534 10.019 5 HA SER 2 HA SER 2 5.947 -0.771 10.851 6 HB2 SER 2 HB2 SER 2 4.405 -2.786 9.204 7 HB3 SER 2 HB3 SER 2 5.660 -3.057 10.414 8 HG SER 2 HG SER 2 3.850 -3.601 11.426 9 H GLY 3 H GLY 3 6.739 -2.493 8.619 10 HA2 GLY 3 HA2 GLY 3 7.696 -0.437 6.785 11 HA3 GLY 3 HA3 GLY 3 8.075 -2.174 6.799 12 H CYS 4 H CYS 4 7.631 -1.138 4.398 13 HA CYS 4 HA CYS 4 5.275 -2.504 3.495 14 HB2 CYS 4 HB2 CYS 4 4.485 -0.067 3.917 15 HB3 CYS 4 HB3 CYS 4 5.597 0.358 2.581 16 H ASP 5 H ASP 5 5.503 -2.996 1.329 17 HA ASP 5 HA ASP 5 8.040 -2.334 -0.038 18 HB2 ASP 5 HB2 ASP 5 8.251 -4.708 -0.686 19 HB3 ASP 5 HB3 ASP 5 8.340 -4.493 1.057 20 H ASP 6 H ASP 6 7.916 -3.297 -2.258 21 HA ASP 6 HA ASP 6 5.830 -2.042 -3.766 22 HB2 ASP 6 HB2 ASP 6 7.161 -2.829 -5.627 23 HB3 ASP 6 HB3 ASP 6 8.248 -2.156 -4.406 24 H LYS 7 H LYS 7 6.506 -5.272 -2.490 25 HA LYS 7 HA LYS 7 4.909 -6.834 -4.245 26 HB2 LYS 7 HB2 LYS 7 5.427 -7.285 -1.268 27 HB3 LYS 7 HB3 LYS 7 4.747 -8.453 -2.372 28 HG2 LYS 7 HG2 LYS 7 6.822 -8.537 -3.662 29 HG3 LYS 7 HG3 LYS 7 7.519 -7.240 -2.694 30 HD2 LYS 7 HD2 LYS 7 8.439 -9.397 -2.031 31 HD3 LYS 7 HD3 LYS 7 7.556 -8.642 -0.697 32 HE2 LYS 7 HE2 LYS 7 5.655 -10.126 -1.026 33 HE3 LYS 7 HE3 LYS 7 6.365 -10.785 -2.502 34 HZ1 LYS 7 HZ1 LYS 7 6.570 -12.199 -0.557 35 HZ2 LYS 7 HZ2 LYS 7 7.558 -11.166 0.192 36 HZ3 LYS 7 HZ3 LYS 7 8.025 -11.865 -1.249 37 H CYS 8 H CYS 8 4.131 -4.861 -1.417 38 HA CYS 8 HA CYS 8 1.322 -5.503 -1.276 39 HB2 CYS 8 HB2 CYS 8 2.797 -4.630 0.576 40 HB3 CYS 8 HB3 CYS 8 2.904 -3.102 -0.290 41 H GLY 9 H GLY 9 2.763 -4.110 -3.895 42 HA2 GLY 9 HA2 GLY 9 2.089 -2.821 -5.602 43 HA3 GLY 9 HA3 GLY 9 0.447 -2.895 -4.927 44 H CYS 10 H CYS 10 3.080 -1.788 -3.049 45 HA CYS 10 HA CYS 10 1.958 1.015 -3.048 46 HB2 CYS 10 HB2 CYS 10 3.542 -0.422 -0.876 47 HB3 CYS 10 HB3 CYS 10 3.054 1.247 -0.802 48 H ALA 11 H ALA 11 3.182 2.698 -3.523 49 HA ALA 11 HA ALA 11 5.852 2.366 -4.536 50 HB1 ALA 11 HB1 ALA 11 4.268 4.868 -3.762 51 HB2 ALA 11 HB2 ALA 11 5.746 4.840 -4.740 52 HB3 ALA 11 HB3 ALA 11 4.274 4.096 -5.368 53 H VAL 12 H VAL 12 7.675 3.812 -3.555 54 HA VAL 12 HA VAL 12 7.662 3.635 -0.590 55 HB VAL 12 HB VAL 12 9.954 3.071 -2.493 56 HG11 VAL 12 HG11 VAL 12 11.154 2.313 -0.542 57 HG12 VAL 12 HG12 VAL 12 10.546 3.915 -0.159 58 HG13 VAL 12 HG13 VAL 12 9.720 2.481 0.481 59 HG21 VAL 12 HG21 VAL 12 9.671 0.693 -1.765 60 HG22 VAL 12 HG22 VAL 12 8.159 1.145 -0.943 61 HG23 VAL 12 HG23 VAL 12 8.312 1.259 -2.710 62 HA PRO 13 HA PRO 13 7.639 4.975 1.041 63 HB2 PRO 13 HB2 PRO 13 6.578 7.248 2.071 64 HB3 PRO 13 HB3 PRO 13 8.339 6.919 2.128 65 HG2 PRO 13 HG2 PRO 13 6.819 8.588 0.091 66 HG3 PRO 13 HG3 PRO 13 8.290 9.053 1.023 67 HD2 PRO 13 HD2 PRO 13 8.423 8.063 -1.525 68 HD3 PRO 13 HD3 PRO 13 9.662 7.681 -0.310 69 H CYS 14 H CYS 14 5.276 4.857 1.725 70 HA CYS 14 HA CYS 14 3.610 4.669 -0.646 71 HB2 CYS 14 HB2 CYS 14 3.623 3.077 1.208 72 HB3 CYS 14 HB3 CYS 14 2.870 4.267 2.258 73 HA PRO 15 HA PRO 15 2.346 8.943 -0.289 74 HB2 PRO 15 HB2 PRO 15 -0.221 8.399 -1.655 75 HB3 PRO 15 HB3 PRO 15 1.159 9.353 -2.220 76 HG2 PRO 15 HG2 PRO 15 0.374 6.743 -3.066 77 HG3 PRO 15 HG3 PRO 15 1.869 7.599 -3.510 78 HD2 PRO 15 HD2 PRO 15 1.540 5.328 -1.722 79 HD3 PRO 15 HD3 PRO 15 3.061 6.134 -2.270 80 H GLY 16 H GLY 16 -0.148 6.485 0.245 81 HA2 GLY 16 HA2 GLY 16 -1.220 6.301 2.466 82 HA3 GLY 16 HA3 GLY 16 -1.399 8.082 2.448 83 H GLY 17 H GLY 17 -3.740 7.682 2.547 84 HA2 GLY 17 HA2 GLY 17 -5.568 6.255 1.357 85 HA3 GLY 17 HA3 GLY 17 -5.744 8.005 1.356 86 H THR 18 H THR 18 -4.435 9.094 -0.612 87 HA THR 18 HA THR 18 -5.647 8.304 -2.967 88 HB THR 18 HB THR 18 -3.101 9.947 -2.749 89 HG1 THR 18 HG1 THR 18 -4.799 11.680 -2.727 90 HG21 THR 18 HG21 THR 18 -4.019 9.311 -5.047 91 HG22 THR 18 HG22 THR 18 -3.875 11.037 -4.739 92 HG23 THR 18 HG23 THR 18 -5.467 10.251 -4.645 93 H GLY 19 H GLY 19 -5.315 6.252 -3.742 94 HA2 GLY 19 HA2 GLY 19 -4.270 4.764 -5.149 95 HA3 GLY 19 HA3 GLY 19 -2.724 5.607 -4.946 96 H CYS 20 H CYS 20 -4.308 4.736 -1.906 97 HA CYS 20 HA CYS 20 -2.227 2.685 -1.693 98 HB2 CYS 20 HB2 CYS 20 -2.201 4.362 -0.021 99 HB3 CYS 20 HB3 CYS 20 -3.732 3.663 0.620 100 H ARG 21 H ARG 21 -2.196 0.887 -1.686 101 HA ARG 21 HA ARG 21 -4.395 -0.960 -1.151 102 HB2 ARG 21 HB2 ARG 21 -2.493 -2.519 -2.142 103 HB3 ARG 21 HB3 ARG 21 -3.701 -1.751 -3.135 104 HG2 ARG 21 HG2 ARG 21 -0.977 -0.495 -2.708 105 HG3 ARG 21 HG3 ARG 21 -1.260 -1.755 -3.909 106 HD2 ARG 21 HD2 ARG 21 -2.897 0.814 -3.896 107 HD3 ARG 21 HD3 ARG 21 -1.381 0.665 -4.767 108 HE ARG 21 HE ARG 21 -3.964 -0.496 -5.422 109 HH11 ARG 21 HH11 ARG 21 -0.478 -0.606 -6.173 110 HH12 ARG 21 HH12 ARG 21 -0.764 -1.289 -7.746 111 HH21 ARG 21 HH21 ARG 21 -4.282 -1.544 -7.281 112 HH22 ARG 21 HH22 ARG 21 -2.988 -2.008 -8.350 113 H CYS 22 H CYS 22 -4.212 -0.501 0.899 114 HA CYS 22 HA CYS 22 -2.290 -1.989 2.429 115 HB2 CYS 22 HB2 CYS 22 -2.364 0.950 3.183 116 HB3 CYS 22 HB3 CYS 22 -1.920 -0.347 4.247 117 H THR 23 H THR 23 -5.409 -0.744 1.952 118 HA THR 23 HA THR 23 -6.293 -1.479 4.657 119 HB THR 23 HB THR 23 -6.910 0.723 3.771 120 HG1 THR 23 HG1 THR 23 -8.568 0.081 4.970 121 HG21 THR 23 HG21 THR 23 -6.881 0.374 1.351 122 HG22 THR 23 HG22 THR 23 -8.470 0.944 1.878 123 HG23 THR 23 HG23 THR 23 -8.234 -0.763 1.467 124 H SER 24 H SER 24 -8.025 -2.982 4.863 125 HA SER 24 HA SER 24 -8.124 -5.135 2.870 126 HB2 SER 24 HB2 SER 24 -9.424 -6.168 4.837 127 HB3 SER 24 HB3 SER 24 -7.721 -5.793 5.108 128 HG SER 24 HG SER 24 -9.874 -4.914 6.431 129 H ALA 25 H ALA 25 -9.189 -2.732 1.958 130 HA ALA 25 HA ALA 25 -11.983 -2.303 2.441 131 HB1 ALA 25 HB1 ALA 25 -10.607 -0.531 1.554 132 HB2 ALA 25 HB2 ALA 25 -10.137 -1.521 0.144 133 HB3 ALA 25 HB3 ALA 25 -11.808 -0.964 0.316 134 H ARG 26 H ARG 26 -13.053 -4.261 2.287 135 HA ARG 26 HA ARG 26 -14.420 -5.745 1.285 136 HB2 ARG 26 HB2 ARG 26 -14.401 -3.911 -0.700 137 HB3 ARG 26 HB3 ARG 26 -13.547 -5.223 -1.510 138 HG2 ARG 26 HG2 ARG 26 -15.595 -6.682 -0.573 139 HG3 ARG 26 HG3 ARG 26 -16.374 -5.117 -0.462 140 HD2 ARG 26 HD2 ARG 26 -16.976 -5.816 -2.617 141 HD3 ARG 26 HD3 ARG 26 -15.599 -4.761 -2.929 142 HE ARG 26 HE ARG 26 -14.381 -6.570 -3.656 143 HH11 ARG 26 HH11 ARG 26 -17.253 -7.863 -1.887 144 HH12 ARG 26 HH12 ARG 26 -16.804 -9.500 -2.267 145 HH21 ARG 26 HH21 ARG 26 -14.067 -8.791 -4.288 146 HH22 ARG 26 HH22 ARG 26 -15.020 -10.019 -3.503 Start of MODEL 15 1 H1 GLY 1 H GLY 1 5.926 -8.092 9.724 2 HA2 GLY 1 HA2 GLY 1 6.153 -6.416 7.288 3 HA3 GLY 1 HA3 GLY 1 5.576 -8.092 7.304 4 H SER 2 H SER 2 4.889 -4.973 8.954 5 HA SER 2 HA SER 2 1.964 -5.398 8.595 6 HB2 SER 2 HB2 SER 2 1.636 -4.457 10.830 7 HB3 SER 2 HB3 SER 2 2.663 -5.895 10.917 8 HG SER 2 HG SER 2 3.596 -4.314 12.167 9 H GLY 3 H GLY 3 4.729 -3.349 8.161 10 HA2 GLY 3 HA2 GLY 3 3.181 -0.827 7.966 11 HA3 GLY 3 HA3 GLY 3 4.938 -1.047 7.823 12 H CYS 4 H CYS 4 5.561 -0.569 5.690 13 HA CYS 4 HA CYS 4 4.409 -2.227 3.672 14 HB2 CYS 4 HB2 CYS 4 2.910 -0.101 3.845 15 HB3 CYS 4 HB3 CYS 4 4.275 0.706 3.042 16 H ASP 5 H ASP 5 5.642 -2.328 1.803 17 HA ASP 5 HA ASP 5 8.181 -0.869 1.707 18 HB2 ASP 5 HB2 ASP 5 8.081 -3.809 1.053 19 HB3 ASP 5 HB3 ASP 5 9.441 -2.835 1.597 20 H ASP 6 H ASP 6 9.119 -1.289 -0.405 21 HA ASP 6 HA ASP 6 7.631 -0.554 -2.632 22 HB2 ASP 6 HB2 ASP 6 9.788 -1.386 -3.809 23 HB3 ASP 6 HB3 ASP 6 9.972 -0.139 -2.578 24 H LYS 7 H LYS 7 8.598 -3.757 -1.517 25 HA LYS 7 HA LYS 7 8.016 -5.352 -3.741 26 HB2 LYS 7 HB2 LYS 7 7.584 -5.885 -0.770 27 HB3 LYS 7 HB3 LYS 7 7.357 -7.137 -1.981 28 HG2 LYS 7 HG2 LYS 7 9.988 -5.631 -1.823 29 HG3 LYS 7 HG3 LYS 7 9.621 -6.945 -0.718 30 HD2 LYS 7 HD2 LYS 7 9.267 -8.504 -2.619 31 HD3 LYS 7 HD3 LYS 7 9.574 -7.179 -3.749 32 HE2 LYS 7 HE2 LYS 7 11.591 -8.402 -3.627 33 HE3 LYS 7 HE3 LYS 7 11.863 -6.906 -2.736 34 HZ1 LYS 7 HZ1 LYS 7 11.337 -9.567 -1.507 35 HZ2 LYS 7 HZ2 LYS 7 11.592 -8.173 -0.671 36 HZ3 LYS 7 HZ3 LYS 7 12.776 -8.774 -1.604 37 H CYS 8 H CYS 8 5.795 -4.025 -1.385 38 HA CYS 8 HA CYS 8 3.446 -5.442 -2.212 39 HB2 CYS 8 HB2 CYS 8 3.962 -4.440 0.022 40 HB3 CYS 8 HB3 CYS 8 3.793 -2.840 -0.700 41 H GLY 9 H GLY 9 5.013 -3.044 -4.168 42 HA2 GLY 9 HA2 GLY 9 4.139 -1.764 -5.860 43 HA3 GLY 9 HA3 GLY 9 2.633 -2.705 -5.718 44 H CYS 10 H CYS 10 4.528 -0.655 -3.647 45 HA CYS 10 HA CYS 10 2.400 1.347 -3.275 46 HB2 CYS 10 HB2 CYS 10 3.545 -0.182 -0.917 47 HB3 CYS 10 HB3 CYS 10 2.615 1.269 -0.788 48 H ALA 11 H ALA 11 3.348 3.251 -3.197 49 HA ALA 11 HA ALA 11 6.176 3.653 -3.135 50 HB1 ALA 11 HB1 ALA 11 4.487 5.151 -4.287 51 HB2 ALA 11 HB2 ALA 11 3.958 5.700 -2.683 52 HB3 ALA 11 HB3 ALA 11 5.610 6.019 -3.231 53 H VAL 12 H VAL 12 7.021 5.462 -1.455 54 HA VAL 12 HA VAL 12 6.047 4.801 1.270 55 HB VAL 12 HB VAL 12 8.964 5.048 0.462 56 HG11 VAL 12 HG11 VAL 12 9.299 4.206 2.788 57 HG12 VAL 12 HG12 VAL 12 8.499 5.779 2.765 58 HG13 VAL 12 HG13 VAL 12 7.558 4.305 3.081 59 HG21 VAL 12 HG21 VAL 12 8.121 2.925 -0.416 60 HG22 VAL 12 HG22 VAL 12 9.094 2.612 1.009 61 HG23 VAL 12 HG23 VAL 12 7.321 2.552 1.125 62 HA PRO 13 HA PRO 13 4.964 5.930 2.750 63 HB2 PRO 13 HB2 PRO 13 2.896 7.693 3.001 64 HB3 PRO 13 HB3 PRO 13 4.421 7.867 3.914 65 HG2 PRO 13 HG2 PRO 13 3.633 9.253 1.331 66 HG3 PRO 13 HG3 PRO 13 4.307 9.987 2.820 67 HD2 PRO 13 HD2 PRO 13 5.883 9.340 0.681 68 HD3 PRO 13 HD3 PRO 13 6.475 9.140 2.353 69 H CYS 14 H CYS 14 2.904 4.876 2.330 70 HA CYS 14 HA CYS 14 2.437 4.403 -0.468 71 HB2 CYS 14 HB2 CYS 14 2.249 2.742 1.307 72 HB3 CYS 14 HB3 CYS 14 0.884 3.605 2.028 73 HA PRO 15 HA PRO 15 -0.489 7.745 -1.029 74 HB2 PRO 15 HB2 PRO 15 -1.719 7.065 -3.398 75 HB3 PRO 15 HB3 PRO 15 -0.042 7.647 -3.288 76 HG2 PRO 15 HG2 PRO 15 -1.024 4.776 -3.447 77 HG3 PRO 15 HG3 PRO 15 0.285 5.548 -4.396 78 HD2 PRO 15 HD2 PRO 15 0.822 4.049 -2.191 79 HD3 PRO 15 HD3 PRO 15 1.763 5.518 -2.562 80 H GLY 16 H GLY 16 -1.671 4.473 -0.787 81 HA2 GLY 16 HA2 GLY 16 -3.595 3.663 0.224 82 HA3 GLY 16 HA3 GLY 16 -4.199 5.321 0.429 83 H GLY 17 H GLY 17 -4.157 6.186 -2.224 84 HA2 GLY 17 HA2 GLY 17 -6.409 4.752 -3.469 85 HA3 GLY 17 HA3 GLY 17 -5.695 6.308 -3.938 86 H THR 18 H THR 18 -5.457 5.952 -6.039 87 HA THR 18 HA THR 18 -4.581 3.735 -7.384 88 HB THR 18 HB THR 18 -3.586 5.780 -8.934 89 HG1 THR 18 HG1 THR 18 -4.098 7.471 -7.679 90 HG21 THR 18 HG21 THR 18 -5.325 4.120 -9.541 91 HG22 THR 18 HG22 THR 18 -5.764 5.760 -10.028 92 HG23 THR 18 HG23 THR 18 -6.521 5.023 -8.588 93 H GLY 19 H GLY 19 -3.002 2.587 -6.868 94 HA2 GLY 19 HA2 GLY 19 -0.559 2.252 -7.294 95 HA3 GLY 19 HA3 GLY 19 -0.263 3.741 -6.383 96 H CYS 20 H CYS 20 -2.901 1.909 -5.020 97 HA CYS 20 HA CYS 20 -0.981 0.754 -3.069 98 HB2 CYS 20 HB2 CYS 20 -2.270 2.652 -2.182 99 HB3 CYS 20 HB3 CYS 20 -3.762 1.761 -2.551 100 H ARG 21 H ARG 21 -0.785 -1.333 -3.919 101 HA ARG 21 HA ARG 21 -3.177 -3.000 -4.164 102 HB2 ARG 21 HB2 ARG 21 -0.216 -3.688 -3.976 103 HB3 ARG 21 HB3 ARG 21 -1.475 -4.829 -4.392 104 HG2 ARG 21 HG2 ARG 21 -0.875 -2.324 -6.023 105 HG3 ARG 21 HG3 ARG 21 -0.131 -3.889 -6.327 106 HD2 ARG 21 HD2 ARG 21 -3.156 -3.514 -6.269 107 HD3 ARG 21 HD3 ARG 21 -2.181 -3.299 -7.719 108 HE ARG 21 HE ARG 21 -1.779 -5.864 -6.340 109 HH11 ARG 21 HH11 ARG 21 -3.740 -4.154 -8.708 110 HH12 ARG 21 HH12 ARG 21 -4.041 -5.513 -9.726 111 HH21 ARG 21 HH21 ARG 21 -1.866 -7.644 -7.818 112 HH22 ARG 21 HH22 ARG 21 -3.039 -7.633 -9.085 113 H CYS 22 H CYS 22 -3.336 -1.750 -1.681 114 HA CYS 22 HA CYS 22 -3.470 -3.856 0.123 115 HB2 CYS 22 HB2 CYS 22 -1.935 -3.477 1.700 116 HB3 CYS 22 HB3 CYS 22 -1.081 -3.338 0.165 117 H THR 23 H THR 23 -5.534 -2.434 -0.750 118 HA THR 23 HA THR 23 -6.086 -0.468 1.407 119 HB THR 23 HB THR 23 -6.070 0.575 -0.829 120 HG1 THR 23 HG1 THR 23 -7.504 1.460 0.542 121 HG21 THR 23 HG21 THR 23 -7.886 -0.024 -2.460 122 HG22 THR 23 HG22 THR 23 -8.193 -1.500 -1.538 123 HG23 THR 23 HG23 THR 23 -6.616 -1.237 -2.323 124 H SER 24 H SER 24 -8.425 -0.702 2.177 125 HA SER 24 HA SER 24 -9.604 -3.312 1.678 126 HB2 SER 24 HB2 SER 24 -9.740 -3.661 4.225 127 HB3 SER 24 HB3 SER 24 -8.250 -4.098 3.396 128 HG SER 24 HG SER 24 -8.395 -2.726 5.483 129 H ALA 25 H ALA 25 -11.694 -3.432 2.187 130 HA ALA 25 HA ALA 25 -13.190 -0.936 2.191 131 HB1 ALA 25 HB1 ALA 25 -13.782 -2.983 0.834 132 HB2 ALA 25 HB2 ALA 25 -14.106 -3.854 2.351 133 HB3 ALA 25 HB3 ALA 25 -15.095 -2.456 1.895 134 H ARG 26 H ARG 26 -15.294 -1.102 3.677 135 HA ARG 26 HA ARG 26 -14.539 -1.743 6.488 136 HB2 ARG 26 HB2 ARG 26 -16.056 0.689 5.436 137 HB3 ARG 26 HB3 ARG 26 -15.951 0.191 7.136 138 HG2 ARG 26 HG2 ARG 26 -13.413 0.252 6.894 139 HG3 ARG 26 HG3 ARG 26 -13.657 1.045 5.328 140 HD2 ARG 26 HD2 ARG 26 -14.723 2.935 6.354 141 HD3 ARG 26 HD3 ARG 26 -14.850 2.095 7.914 142 HE ARG 26 HE ARG 26 -12.172 2.071 7.317 143 HH11 ARG 26 HH11 ARG 26 -14.652 4.528 8.048 144 HH12 ARG 26 HH12 ARG 26 -13.501 5.753 8.486 145 HH21 ARG 26 HH21 ARG 26 -10.681 3.647 8.071 146 HH22 ARG 26 HH22 ARG 26 -11.196 5.198 8.626 Start of MODEL 16 1 H1 GLY 1 H GLY 1 6.835 7.844 5.573 2 HA2 GLY 1 HA2 GLY 1 5.200 6.664 7.751 3 HA3 GLY 1 HA3 GLY 1 4.902 6.399 6.023 4 H SER 2 H SER 2 5.323 4.299 7.844 5 HA SER 2 HA SER 2 7.858 3.087 6.842 6 HB2 SER 2 HB2 SER 2 6.650 2.985 9.654 7 HB3 SER 2 HB3 SER 2 8.020 2.004 9.105 8 HG SER 2 HG SER 2 7.965 4.865 9.215 9 H GLY 3 H GLY 3 7.830 0.708 7.227 10 HA2 GLY 3 HA2 GLY 3 7.022 -1.364 7.153 11 HA3 GLY 3 HA3 GLY 3 5.382 -0.791 7.499 12 H CYS 4 H CYS 4 6.015 -2.860 5.775 13 HA CYS 4 HA CYS 4 5.333 -3.791 3.837 14 HB2 CYS 4 HB2 CYS 4 3.391 -2.283 4.156 15 HB3 CYS 4 HB3 CYS 4 4.155 -1.105 3.091 16 H ASP 5 H ASP 5 5.898 -3.840 1.501 17 HA ASP 5 HA ASP 5 8.064 -2.011 0.704 18 HB2 ASP 5 HB2 ASP 5 8.331 -4.979 1.265 19 HB3 ASP 5 HB3 ASP 5 9.271 -4.240 -0.030 20 H ASP 6 H ASP 6 8.724 -2.664 -1.623 21 HA ASP 6 HA ASP 6 6.433 -2.357 -3.239 22 HB2 ASP 6 HB2 ASP 6 8.637 -1.544 -3.929 23 HB3 ASP 6 HB3 ASP 6 9.171 -3.231 -4.148 24 H LYS 7 H LYS 7 8.048 -5.322 -2.239 25 HA LYS 7 HA LYS 7 6.933 -7.073 -4.116 26 HB2 LYS 7 HB2 LYS 7 7.146 -8.835 -2.402 27 HB3 LYS 7 HB3 LYS 7 8.578 -7.836 -2.586 28 HG2 LYS 7 HG2 LYS 7 7.837 -6.542 -0.498 29 HG3 LYS 7 HG3 LYS 7 6.554 -7.740 -0.319 30 HD2 LYS 7 HD2 LYS 7 8.292 -8.475 1.109 31 HD3 LYS 7 HD3 LYS 7 8.390 -9.524 -0.312 32 HE2 LYS 7 HE2 LYS 7 10.237 -8.027 -1.204 33 HE3 LYS 7 HE3 LYS 7 10.144 -7.089 0.291 34 HZ1 LYS 7 HZ1 LYS 7 10.932 -9.927 0.050 35 HZ2 LYS 7 HZ2 LYS 7 10.691 -9.207 1.483 36 HZ3 LYS 7 HZ3 LYS 7 11.887 -8.664 0.530 37 H CYS 8 H CYS 8 5.273 -5.410 -1.495 38 HA CYS 8 HA CYS 8 2.821 -7.028 -1.787 39 HB2 CYS 8 HB2 CYS 8 3.519 -6.306 0.401 40 HB3 CYS 8 HB3 CYS 8 3.610 -4.632 -0.128 41 H GLY 9 H GLY 9 4.070 -4.781 -3.957 42 HA2 GLY 9 HA2 GLY 9 3.104 -3.632 -5.604 43 HA3 GLY 9 HA3 GLY 9 1.503 -4.186 -5.045 44 H CYS 10 H CYS 10 4.212 -2.297 -3.759 45 HA CYS 10 HA CYS 10 2.470 0.028 -3.365 46 HB2 CYS 10 HB2 CYS 10 3.904 -1.030 -0.904 47 HB3 CYS 10 HB3 CYS 10 2.705 0.289 -1.059 48 H ALA 11 H ALA 11 3.480 2.000 -3.127 49 HA ALA 11 HA ALA 11 6.196 2.231 -3.915 50 HB1 ALA 11 HB1 ALA 11 5.817 4.620 -3.579 51 HB2 ALA 11 HB2 ALA 11 4.379 3.902 -4.317 52 HB3 ALA 11 HB3 ALA 11 4.387 4.286 -2.576 53 H VAL 12 H VAL 12 7.742 3.735 -2.541 54 HA VAL 12 HA VAL 12 7.802 2.658 0.220 55 HB VAL 12 HB VAL 12 10.250 3.306 -1.406 56 HG11 VAL 12 HG11 VAL 12 10.449 3.048 1.064 57 HG12 VAL 12 HG12 VAL 12 9.699 1.439 0.952 58 HG13 VAL 12 HG13 VAL 12 11.281 1.754 0.196 59 HG21 VAL 12 HG21 VAL 12 10.430 0.846 -1.838 60 HG22 VAL 12 HG22 VAL 12 8.720 0.670 -1.343 61 HG23 VAL 12 HG23 VAL 12 9.167 1.629 -2.769 62 HA PRO 13 HA PRO 13 7.217 3.340 2.017 63 HB2 PRO 13 HB2 PRO 13 5.807 4.843 3.716 64 HB3 PRO 13 HB3 PRO 13 7.597 4.775 3.782 65 HG2 PRO 13 HG2 PRO 13 5.866 6.899 2.482 66 HG3 PRO 13 HG3 PRO 13 7.253 7.103 3.602 67 HD2 PRO 13 HD2 PRO 13 7.431 7.195 0.822 68 HD3 PRO 13 HD3 PRO 13 8.798 6.739 1.864 69 H CYS 14 H CYS 14 4.829 2.888 2.443 70 HA CYS 14 HA CYS 14 3.382 3.166 -0.031 71 HB2 CYS 14 HB2 CYS 14 3.326 1.262 1.711 72 HB3 CYS 14 HB3 CYS 14 2.313 2.325 2.669 73 HA PRO 15 HA PRO 15 1.375 7.049 1.024 74 HB2 PRO 15 HB2 PRO 15 -0.895 6.961 -0.574 75 HB3 PRO 15 HB3 PRO 15 0.751 7.362 -1.147 76 HG2 PRO 15 HG2 PRO 15 -0.715 4.737 -1.296 77 HG3 PRO 15 HG3 PRO 15 0.277 5.538 -2.540 78 HD2 PRO 15 HD2 PRO 15 1.250 3.524 -0.982 79 HD3 PRO 15 HD3 PRO 15 2.294 4.869 -1.509 80 H GLY 16 H GLY 16 -0.789 4.219 0.819 81 HA2 GLY 16 HA2 GLY 16 -1.892 3.235 2.673 82 HA3 GLY 16 HA3 GLY 16 -1.858 4.755 3.517 83 H GLY 17 H GLY 17 -3.041 6.431 1.369 84 HA2 GLY 17 HA2 GLY 17 -5.779 5.970 1.921 85 HA3 GLY 17 HA3 GLY 17 -5.105 7.129 0.771 86 H THR 18 H THR 18 -7.261 6.366 -0.263 87 HA THR 18 HA THR 18 -7.898 4.009 -1.347 88 HB THR 18 HB THR 18 -8.133 6.749 -2.662 89 HG1 THR 18 HG1 THR 18 -10.135 6.691 -1.359 90 HG21 THR 18 HG21 THR 18 -8.965 4.908 -4.110 91 HG22 THR 18 HG22 THR 18 -10.288 5.909 -3.513 92 HG23 THR 18 HG23 THR 18 -9.975 4.327 -2.770 93 H GLY 19 H GLY 19 -5.402 6.175 -2.658 94 HA2 GLY 19 HA2 GLY 19 -4.968 4.914 -5.153 95 HA3 GLY 19 HA3 GLY 19 -3.822 5.943 -4.277 96 H CYS 20 H CYS 20 -4.447 3.427 -2.139 97 HA CYS 20 HA CYS 20 -2.123 1.820 -3.111 98 HB2 CYS 20 HB2 CYS 20 -1.650 2.782 -0.890 99 HB3 CYS 20 HB3 CYS 20 -3.243 2.299 -0.322 100 H ARG 21 H ARG 21 -2.406 -0.428 -3.216 101 HA ARG 21 HA ARG 21 -5.235 -1.344 -3.127 102 HB2 ARG 21 HB2 ARG 21 -4.486 -3.346 -4.251 103 HB3 ARG 21 HB3 ARG 21 -3.946 -1.887 -5.086 104 HG2 ARG 21 HG2 ARG 21 -1.674 -2.216 -4.379 105 HG3 ARG 21 HG3 ARG 21 -2.155 -3.402 -3.177 106 HD2 ARG 21 HD2 ARG 21 -1.080 -4.441 -5.115 107 HD3 ARG 21 HD3 ARG 21 -2.715 -5.015 -4.790 108 HE ARG 21 HE ARG 21 -3.347 -4.392 -6.867 109 HH11 ARG 21 HH11 ARG 21 -0.429 -2.335 -6.241 110 HH12 ARG 21 HH12 ARG 21 -0.434 -1.817 -7.890 111 HH21 ARG 21 HH21 ARG 21 -3.207 -3.630 -8.967 112 HH22 ARG 21 HH22 ARG 21 -1.906 -2.596 -9.432 113 H CYS 22 H CYS 22 -3.320 -1.042 -0.687 114 HA CYS 22 HA CYS 22 -3.306 -3.712 0.521 115 HB2 CYS 22 HB2 CYS 22 -2.880 -1.129 2.042 116 HB3 CYS 22 HB3 CYS 22 -2.692 -2.739 2.650 117 H THR 23 H THR 23 -5.582 -0.876 0.842 118 HA THR 23 HA THR 23 -6.697 -1.983 3.255 119 HB THR 23 HB THR 23 -6.815 0.379 2.792 120 HG1 THR 23 HG1 THR 23 -9.183 0.560 3.050 121 HG21 THR 23 HG21 THR 23 -8.387 1.347 1.166 122 HG22 THR 23 HG22 THR 23 -8.723 -0.274 0.535 123 HG23 THR 23 HG23 THR 23 -7.107 0.439 0.351 124 H SER 24 H SER 24 -8.713 -3.046 3.540 125 HA SER 24 HA SER 24 -9.598 -4.697 1.223 126 HB2 SER 24 HB2 SER 24 -9.769 -5.389 4.168 127 HB3 SER 24 HB3 SER 24 -10.086 -6.435 2.777 128 HG SER 24 HG SER 24 -8.089 -6.940 3.316 129 H ALA 25 H ALA 25 -10.445 -1.947 2.011 130 HA ALA 25 HA ALA 25 -13.323 -2.285 1.970 131 HB1 ALA 25 HB1 ALA 25 -12.780 -2.151 4.430 132 HB2 ALA 25 HB2 ALA 25 -11.938 -0.615 4.129 133 HB3 ALA 25 HB3 ALA 25 -13.686 -0.742 3.864 134 H ARG 26 H ARG 26 -14.025 0.308 2.062 135 HA ARG 26 HA ARG 26 -12.630 1.489 -0.289 136 HB2 ARG 26 HB2 ARG 26 -15.347 1.855 1.032 137 HB3 ARG 26 HB3 ARG 26 -14.663 3.129 0.028 138 HG2 ARG 26 HG2 ARG 26 -16.054 1.870 -1.395 139 HG3 ARG 26 HG3 ARG 26 -14.383 1.521 -1.839 140 HD2 ARG 26 HD2 ARG 26 -14.533 -0.656 -0.672 141 HD3 ARG 26 HD3 ARG 26 -16.218 -0.285 -0.222 142 HE ARG 26 HE ARG 26 -15.954 0.049 -3.005 143 HH11 ARG 26 HH11 ARG 26 -15.822 -2.597 -0.664 144 HH12 ARG 26 HH12 ARG 26 -16.222 -3.850 -1.785 145 HH21 ARG 26 HH21 ARG 26 -16.727 -1.562 -4.476 146 HH22 ARG 26 HH22 ARG 26 -16.767 -3.239 -4.008 Start of MODEL 17 1 H1 GLY 1 H GLY 1 10.884 -0.793 9.073 2 HA2 GLY 1 HA2 GLY 1 10.940 -3.161 10.843 3 HA3 GLY 1 HA3 GLY 1 10.574 -1.507 11.411 4 H SER 2 H SER 2 8.985 -4.080 11.332 5 HA SER 2 HA SER 2 7.110 -4.847 9.909 6 HB2 SER 2 HB2 SER 2 6.486 -3.576 12.594 7 HB3 SER 2 HB3 SER 2 5.563 -4.873 11.794 8 HG SER 2 HG SER 2 6.973 -5.932 13.090 9 H GLY 3 H GLY 3 6.639 -3.709 8.060 10 HA2 GLY 3 HA2 GLY 3 4.285 -2.157 8.040 11 HA3 GLY 3 HA3 GLY 3 5.714 -1.111 7.826 12 H CYS 4 H CYS 4 4.459 -0.950 5.695 13 HA CYS 4 HA CYS 4 4.841 -3.154 3.778 14 HB2 CYS 4 HB2 CYS 4 2.829 -1.580 4.150 15 HB3 CYS 4 HB3 CYS 4 3.769 -0.383 3.264 16 H ASP 5 H ASP 5 5.768 -2.695 1.635 17 HA ASP 5 HA ASP 5 7.739 -0.554 1.360 18 HB2 ASP 5 HB2 ASP 5 8.906 -2.495 2.486 19 HB3 ASP 5 HB3 ASP 5 8.437 -3.495 1.087 20 H ASP 6 H ASP 6 8.731 -1.153 -1.008 21 HA ASP 6 HA ASP 6 6.357 -1.254 -2.672 22 HB2 ASP 6 HB2 ASP 6 8.252 0.300 -3.201 23 HB3 ASP 6 HB3 ASP 6 9.094 -1.121 -3.867 24 H LYS 7 H LYS 7 8.298 -3.688 -1.458 25 HA LYS 7 HA LYS 7 8.199 -5.653 -3.503 26 HB2 LYS 7 HB2 LYS 7 7.601 -6.089 -0.542 27 HB3 LYS 7 HB3 LYS 7 8.147 -7.325 -1.679 28 HG2 LYS 7 HG2 LYS 7 10.358 -6.311 -1.810 29 HG3 LYS 7 HG3 LYS 7 9.787 -4.931 -0.871 30 HD2 LYS 7 HD2 LYS 7 11.016 -6.256 0.663 31 HD3 LYS 7 HD3 LYS 7 9.328 -6.404 1.072 32 HE2 LYS 7 HE2 LYS 7 10.282 -8.574 1.275 33 HE3 LYS 7 HE3 LYS 7 9.277 -8.623 -0.181 34 HZ1 LYS 7 HZ1 LYS 7 12.214 -8.234 -0.143 35 HZ2 LYS 7 HZ2 LYS 7 11.297 -8.434 -1.498 36 HZ3 LYS 7 HZ3 LYS 7 11.464 -9.650 -0.430 37 H CYS 8 H CYS 8 5.706 -4.119 -1.654 38 HA CYS 8 HA CYS 8 3.605 -6.079 -2.238 39 HB2 CYS 8 HB2 CYS 8 3.993 -5.407 0.040 40 HB3 CYS 8 HB3 CYS 8 3.934 -3.697 -0.419 41 H GLY 9 H GLY 9 4.824 -3.338 -4.010 42 HA2 GLY 9 HA2 GLY 9 3.821 -2.181 -5.666 43 HA3 GLY 9 HA3 GLY 9 2.296 -3.050 -5.400 44 H CYS 10 H CYS 10 4.519 -0.884 -3.744 45 HA CYS 10 HA CYS 10 2.483 1.077 -3.048 46 HB2 CYS 10 HB2 CYS 10 3.856 -0.430 -0.781 47 HB3 CYS 10 HB3 CYS 10 2.703 0.917 -0.671 48 H ALA 11 H ALA 11 3.528 3.019 -2.973 49 HA ALA 11 HA ALA 11 6.368 3.203 -3.045 50 HB1 ALA 11 HB1 ALA 11 6.081 5.591 -3.056 51 HB2 ALA 11 HB2 ALA 11 4.801 4.882 -4.052 52 HB3 ALA 11 HB3 ALA 11 4.441 5.466 -2.388 53 H VAL 12 H VAL 12 7.425 4.967 -1.328 54 HA VAL 12 HA VAL 12 6.826 3.980 1.404 55 HB VAL 12 HB VAL 12 9.448 4.351 -0.035 56 HG11 VAL 12 HG11 VAL 12 8.955 3.801 2.926 57 HG12 VAL 12 HG12 VAL 12 10.532 3.664 2.074 58 HG13 VAL 12 HG13 VAL 12 9.752 5.227 2.216 59 HG21 VAL 12 HG21 VAL 12 8.343 2.191 -0.471 60 HG22 VAL 12 HG22 VAL 12 9.755 1.963 0.552 61 HG23 VAL 12 HG23 VAL 12 8.122 1.931 1.279 62 HA PRO 13 HA PRO 13 6.000 4.748 3.232 63 HB2 PRO 13 HB2 PRO 13 3.958 6.360 4.175 64 HB3 PRO 13 HB3 PRO 13 5.659 6.442 4.797 65 HG2 PRO 13 HG2 PRO 13 4.354 8.191 2.691 66 HG3 PRO 13 HG3 PRO 13 5.294 8.721 4.138 67 HD2 PRO 13 HD2 PRO 13 6.431 8.530 1.667 68 HD3 PRO 13 HD3 PRO 13 7.358 8.093 3.143 69 H CYS 14 H CYS 14 3.833 3.718 2.939 70 HA CYS 14 HA CYS 14 3.042 3.701 0.204 71 HB2 CYS 14 HB2 CYS 14 2.835 1.720 1.445 72 HB3 CYS 14 HB3 CYS 14 1.815 2.479 2.614 73 HA PRO 15 HA PRO 15 0.408 7.387 0.379 74 HB2 PRO 15 HB2 PRO 15 -0.840 6.833 -2.164 75 HB3 PRO 15 HB3 PRO 15 0.596 7.870 -1.832 76 HG2 PRO 15 HG2 PRO 15 0.501 4.974 -2.676 77 HG3 PRO 15 HG3 PRO 15 1.609 6.272 -3.232 78 HD2 PRO 15 HD2 PRO 15 2.375 4.435 -1.480 79 HD3 PRO 15 HD3 PRO 15 2.813 6.140 -1.208 80 H GLY 16 H GLY 16 -0.922 4.359 -0.912 81 HA2 GLY 16 HA2 GLY 16 -2.598 2.992 0.138 82 HA3 GLY 16 HA3 GLY 16 -3.071 4.357 1.144 83 H GLY 17 H GLY 17 -3.216 6.248 -1.142 84 HA2 GLY 17 HA2 GLY 17 -5.920 5.829 -1.993 85 HA3 GLY 17 HA3 GLY 17 -4.831 7.149 -2.409 86 H THR 18 H THR 18 -5.407 7.222 -4.515 87 HA THR 18 HA THR 18 -5.688 5.176 -6.382 88 HB THR 18 HB THR 18 -4.622 7.965 -6.743 89 HG1 THR 18 HG1 THR 18 -7.175 7.010 -6.058 90 HG21 THR 18 HG21 THR 18 -4.732 6.618 -8.846 91 HG22 THR 18 HG22 THR 18 -5.863 7.979 -8.878 92 HG23 THR 18 HG23 THR 18 -6.467 6.348 -8.548 93 H GLY 19 H GLY 19 -4.151 3.683 -6.502 94 HA2 GLY 19 HA2 GLY 19 -1.948 3.528 -7.933 95 HA3 GLY 19 HA3 GLY 19 -1.276 4.455 -6.571 96 H CYS 20 H CYS 20 -3.134 3.001 -4.658 97 HA CYS 20 HA CYS 20 -1.154 0.826 -4.253 98 HB2 CYS 20 HB2 CYS 20 -1.650 2.536 -2.544 99 HB3 CYS 20 HB3 CYS 20 -3.297 1.954 -2.466 100 H ARG 21 H ARG 21 -1.884 -1.088 -3.132 101 HA ARG 21 HA ARG 21 -4.357 -2.428 -4.069 102 HB2 ARG 21 HB2 ARG 21 -1.482 -3.432 -4.322 103 HB3 ARG 21 HB3 ARG 21 -2.899 -4.445 -4.559 104 HG2 ARG 21 HG2 ARG 21 -2.254 -2.032 -6.267 105 HG3 ARG 21 HG3 ARG 21 -1.862 -3.709 -6.673 106 HD2 ARG 21 HD2 ARG 21 -4.270 -4.322 -6.478 107 HD3 ARG 21 HD3 ARG 21 -4.668 -2.631 -6.177 108 HE ARG 21 HE ARG 21 -4.318 -3.904 -8.658 109 HH11 ARG 21 HH11 ARG 21 -3.763 -0.757 -7.094 110 HH12 ARG 21 HH12 ARG 21 -3.846 0.127 -8.572 111 HH21 ARG 21 HH21 ARG 21 -4.446 -2.714 -10.619 112 HH22 ARG 21 HH22 ARG 21 -4.349 -0.987 -10.606 113 H CYS 22 H CYS 22 -3.626 -1.311 -1.366 114 HA CYS 22 HA CYS 22 -4.100 -3.745 0.098 115 HB2 CYS 22 HB2 CYS 22 -2.397 -3.788 1.577 116 HB3 CYS 22 HB3 CYS 22 -1.795 -3.747 -0.047 117 H THR 23 H THR 23 -5.514 -1.075 -0.322 118 HA THR 23 HA THR 23 -5.691 -0.049 2.397 119 HB THR 23 HB THR 23 -5.986 1.283 0.303 120 HG1 THR 23 HG1 THR 23 -7.298 2.591 1.247 121 HG21 THR 23 HG21 THR 23 -8.818 0.256 0.077 122 HG22 THR 23 HG22 THR 23 -7.501 -0.466 -0.863 123 HG23 THR 23 HG23 THR 23 -7.864 1.242 -1.059 124 H SER 24 H SER 24 -8.140 -0.155 3.380 125 HA SER 24 HA SER 24 -9.157 -2.946 3.029 126 HB2 SER 24 HB2 SER 24 -9.481 -2.985 5.489 127 HB3 SER 24 HB3 SER 24 -7.793 -2.922 4.972 128 HG SER 24 HG SER 24 -9.366 -1.030 6.264 129 H ALA 25 H ALA 25 -10.049 -0.025 2.216 130 HA ALA 25 HA ALA 25 -12.458 0.494 3.596 131 HB1 ALA 25 HB1 ALA 25 -13.093 1.739 1.523 132 HB2 ALA 25 HB2 ALA 25 -11.473 2.135 2.088 133 HB3 ALA 25 HB3 ALA 25 -11.685 1.049 0.688 134 H ARG 26 H ARG 26 -14.613 0.114 2.970 135 HA ARG 26 HA ARG 26 -15.243 -2.114 1.167 136 HB2 ARG 26 HB2 ARG 26 -14.981 -3.049 3.467 137 HB3 ARG 26 HB3 ARG 26 -16.222 -1.963 4.061 138 HG2 ARG 26 HG2 ARG 26 -16.623 -4.036 1.851 139 HG3 ARG 26 HG3 ARG 26 -16.943 -4.329 3.560 140 HD2 ARG 26 HD2 ARG 26 -18.661 -2.560 3.572 141 HD3 ARG 26 HD3 ARG 26 -18.377 -2.260 1.858 142 HE ARG 26 HE ARG 26 -19.087 -4.981 2.742 143 HH11 ARG 26 HH11 ARG 26 -19.958 -2.193 0.742 144 HH12 ARG 26 HH12 ARG 26 -21.480 -2.808 0.255 145 HH21 ARG 26 HH21 ARG 26 -21.040 -5.910 1.940 146 HH22 ARG 26 HH22 ARG 26 -22.070 -4.992 0.876 Start of MODEL 18 1 H1 GLY 1 H GLY 1 0.152 -5.936 10.919 2 HA2 GLY 1 HA2 GLY 1 1.120 -3.973 12.070 3 HA3 GLY 1 HA3 GLY 1 2.207 -4.672 10.856 4 H SER 2 H SER 2 3.305 -2.811 10.295 5 HA SER 2 HA SER 2 1.819 -0.836 8.645 6 HB2 SER 2 HB2 SER 2 3.713 -0.012 10.864 7 HB3 SER 2 HB3 SER 2 2.833 1.061 9.769 8 HG SER 2 HG SER 2 1.064 0.822 10.881 9 H GLY 3 H GLY 3 4.677 -2.726 9.217 10 HA2 GLY 3 HA2 GLY 3 6.559 -1.100 7.806 11 HA3 GLY 3 HA3 GLY 3 6.759 -2.742 8.395 12 H CYS 4 H CYS 4 4.960 -0.976 5.862 13 HA CYS 4 HA CYS 4 4.908 -3.331 4.003 14 HB2 CYS 4 HB2 CYS 4 3.248 -1.288 4.205 15 HB3 CYS 4 HB3 CYS 4 4.502 -0.484 3.226 16 H ASP 5 H ASP 5 5.717 -3.047 1.833 17 HA ASP 5 HA ASP 5 8.312 -1.706 1.547 18 HB2 ASP 5 HB2 ASP 5 8.977 -3.875 0.425 19 HB3 ASP 5 HB3 ASP 5 8.724 -4.003 2.161 20 H ASP 6 H ASP 6 8.895 -1.916 -0.769 21 HA ASP 6 HA ASP 6 6.885 -0.799 -2.543 22 HB2 ASP 6 HB2 ASP 6 8.768 -0.622 -4.082 23 HB3 ASP 6 HB3 ASP 6 9.266 -0.025 -2.496 24 H LYS 7 H LYS 7 8.403 -3.896 -1.811 25 HA LYS 7 HA LYS 7 7.811 -5.357 -4.157 26 HB2 LYS 7 HB2 LYS 7 7.807 -6.289 -1.265 27 HB3 LYS 7 HB3 LYS 7 7.784 -7.370 -2.634 28 HG2 LYS 7 HG2 LYS 7 10.053 -5.388 -2.181 29 HG3 LYS 7 HG3 LYS 7 10.026 -7.007 -1.476 30 HD2 LYS 7 HD2 LYS 7 9.915 -8.052 -3.693 31 HD3 LYS 7 HD3 LYS 7 9.815 -6.460 -4.457 32 HE2 LYS 7 HE2 LYS 7 12.041 -7.011 -4.726 33 HE3 LYS 7 HE3 LYS 7 12.048 -5.904 -3.361 34 HZ1 LYS 7 HZ1 LYS 7 13.486 -7.757 -2.983 35 HZ2 LYS 7 HZ2 LYS 7 12.330 -8.863 -3.223 36 HZ3 LYS 7 HZ3 LYS 7 12.312 -7.867 -1.896 37 H CYS 8 H CYS 8 5.633 -4.232 -1.472 38 HA CYS 8 HA CYS 8 3.472 -5.974 -2.321 39 HB2 CYS 8 HB2 CYS 8 3.758 -5.416 -0.082 40 HB3 CYS 8 HB3 CYS 8 3.979 -3.696 -0.423 41 H GLY 9 H GLY 9 4.768 -3.144 -3.867 42 HA2 GLY 9 HA2 GLY 9 3.839 -1.971 -5.598 43 HA3 GLY 9 HA3 GLY 9 2.270 -2.773 -5.339 44 H CYS 10 H CYS 10 4.566 -0.689 -3.610 45 HA CYS 10 HA CYS 10 2.475 1.287 -2.958 46 HB2 CYS 10 HB2 CYS 10 4.127 -0.087 -0.770 47 HB3 CYS 10 HB3 CYS 10 3.188 1.392 -0.572 48 H ALA 11 H ALA 11 3.354 3.370 -2.842 49 HA ALA 11 HA ALA 11 6.118 3.716 -3.479 50 HB1 ALA 11 HB1 ALA 11 4.118 5.352 -3.919 51 HB2 ALA 11 HB2 ALA 11 4.415 5.907 -2.242 52 HB3 ALA 11 HB3 ALA 11 5.670 6.034 -3.442 53 H VAL 12 H VAL 12 7.528 5.211 -1.938 54 HA VAL 12 HA VAL 12 7.336 4.085 0.820 55 HB VAL 12 HB VAL 12 9.803 4.631 -0.864 56 HG11 VAL 12 HG11 VAL 12 10.272 5.097 1.503 57 HG12 VAL 12 HG12 VAL 12 9.530 3.555 1.975 58 HG13 VAL 12 HG13 VAL 12 11.027 3.578 1.027 59 HG21 VAL 12 HG21 VAL 12 8.458 2.055 0.065 60 HG22 VAL 12 HG22 VAL 12 8.715 2.587 -1.613 61 HG23 VAL 12 HG23 VAL 12 10.091 2.128 -0.605 62 HA PRO 13 HA PRO 13 6.617 4.720 2.632 63 HB2 PRO 13 HB2 PRO 13 4.961 6.259 4.125 64 HB3 PRO 13 HB3 PRO 13 6.726 6.196 4.400 65 HG2 PRO 13 HG2 PRO 13 5.129 8.248 2.885 66 HG3 PRO 13 HG3 PRO 13 6.419 8.532 4.099 67 HD2 PRO 13 HD2 PRO 13 6.850 8.594 1.367 68 HD3 PRO 13 HD3 PRO 13 8.104 8.101 2.545 69 H CYS 14 H CYS 14 4.179 4.215 3.011 70 HA CYS 14 HA CYS 14 2.883 3.759 0.565 71 HB2 CYS 14 HB2 CYS 14 2.466 2.777 2.917 72 HB3 CYS 14 HB3 CYS 14 1.382 4.095 3.184 73 HA PRO 15 HA PRO 15 1.296 7.968 0.057 74 HB2 PRO 15 HB2 PRO 15 -0.134 7.623 -2.276 75 HB3 PRO 15 HB3 PRO 15 1.647 7.797 -2.218 76 HG2 PRO 15 HG2 PRO 15 -0.006 5.296 -2.533 77 HG3 PRO 15 HG3 PRO 15 1.544 5.721 -3.318 78 HD2 PRO 15 HD2 PRO 15 1.304 4.057 -1.101 79 HD3 PRO 15 HD3 PRO 15 2.770 4.992 -1.457 80 H GLY 16 H GLY 16 -0.710 5.095 -0.423 81 HA2 GLY 16 HA2 GLY 16 -2.529 4.495 1.027 82 HA3 GLY 16 HA3 GLY 16 -2.886 6.213 1.278 83 H GLY 17 H GLY 17 -2.998 7.323 -1.219 84 HA2 GLY 17 HA2 GLY 17 -5.348 6.121 -2.435 85 HA3 GLY 17 HA3 GLY 17 -4.540 7.651 -2.839 86 H THR 18 H THR 18 -4.573 7.324 -5.006 87 HA THR 18 HA THR 18 -4.042 5.240 -6.578 88 HB THR 18 HB THR 18 -3.345 6.761 -8.313 89 HG1 THR 18 HG1 THR 18 -2.009 8.085 -6.967 90 HG21 THR 18 HG21 THR 18 -5.211 8.301 -8.347 91 HG22 THR 18 HG22 THR 18 -5.468 8.119 -6.603 92 HG23 THR 18 HG23 THR 18 -5.748 6.751 -7.704 93 H GLY 19 H GLY 19 -2.614 3.733 -6.154 94 HA2 GLY 19 HA2 GLY 19 -0.252 3.163 -6.886 95 HA3 GLY 19 HA3 GLY 19 0.286 4.449 -5.802 96 H CYS 20 H CYS 20 -2.435 2.991 -4.326 97 HA CYS 20 HA CYS 20 -0.555 1.210 -2.818 98 HB2 CYS 20 HB2 CYS 20 -1.596 3.089 -1.533 99 HB3 CYS 20 HB3 CYS 20 -3.158 2.274 -1.789 100 H ARG 21 H ARG 21 -0.698 -0.701 -3.969 101 HA ARG 21 HA ARG 21 -3.323 -2.013 -4.305 102 HB2 ARG 21 HB2 ARG 21 -0.470 -3.019 -4.685 103 HB3 ARG 21 HB3 ARG 21 -1.918 -3.938 -5.088 104 HG2 ARG 21 HG2 ARG 21 -1.251 -1.241 -6.337 105 HG3 ARG 21 HG3 ARG 21 -0.757 -2.780 -7.023 106 HD2 ARG 21 HD2 ARG 21 -3.654 -1.969 -6.532 107 HD3 ARG 21 HD3 ARG 21 -2.821 -1.823 -8.070 108 HE ARG 21 HE ARG 21 -3.876 -4.251 -6.834 109 HH11 ARG 21 HH11 ARG 21 -1.739 -3.011 -9.409 110 HH12 ARG 21 HH12 ARG 21 -1.767 -4.479 -10.307 111 HH21 ARG 21 HH21 ARG 21 -3.920 -6.161 -8.019 112 HH22 ARG 21 HH22 ARG 21 -3.155 -6.254 -9.577 113 H CYS 22 H CYS 22 -3.009 -1.262 -1.617 114 HA CYS 22 HA CYS 22 -3.224 -3.747 -0.264 115 HB2 CYS 22 HB2 CYS 22 -1.706 -3.666 1.338 116 HB3 CYS 22 HB3 CYS 22 -0.853 -3.293 -0.132 117 H THR 23 H THR 23 -5.186 -2.124 -0.954 118 HA THR 23 HA THR 23 -5.791 -0.350 1.320 119 HB THR 23 HB THR 23 -6.191 0.564 -0.858 120 HG1 THR 23 HG1 THR 23 -7.708 0.914 0.822 121 HG21 THR 23 HG21 THR 23 -6.423 -1.309 -2.325 122 HG22 THR 23 HG22 THR 23 -7.899 -0.355 -2.420 123 HG23 THR 23 HG23 THR 23 -7.893 -1.868 -1.487 124 H SER 24 H SER 24 -8.522 -0.839 1.623 125 HA SER 24 HA SER 24 -9.183 -3.593 1.988 126 HB2 SER 24 HB2 SER 24 -8.507 -1.877 4.431 127 HB3 SER 24 HB3 SER 24 -9.439 -3.387 4.501 128 HG SER 24 HG SER 24 -7.035 -3.420 3.087 129 H ALA 25 H ALA 25 -11.432 -3.351 3.488 130 HA ALA 25 HA ALA 25 -12.834 -0.894 2.658 131 HB1 ALA 25 HB1 ALA 25 -13.808 -3.739 2.075 132 HB2 ALA 25 HB2 ALA 25 -14.661 -2.229 1.692 133 HB3 ALA 25 HB3 ALA 25 -13.152 -2.634 0.854 134 H ARG 26 H ARG 26 -14.844 -0.706 3.758 135 HA ARG 26 HA ARG 26 -16.037 -0.503 5.659 136 HB2 ARG 26 HB2 ARG 26 -15.823 -3.517 5.870 137 HB3 ARG 26 HB3 ARG 26 -17.106 -2.445 6.464 138 HG2 ARG 26 HG2 ARG 26 -17.504 -1.774 4.023 139 HG3 ARG 26 HG3 ARG 26 -16.400 -3.081 3.567 140 HD2 ARG 26 HD2 ARG 26 -18.569 -3.992 3.356 141 HD3 ARG 26 HD3 ARG 26 -17.877 -4.681 4.825 142 HE ARG 26 HE ARG 26 -19.429 -3.597 6.107 143 HH11 ARG 26 HH11 ARG 26 -19.506 -2.024 2.859 144 HH12 ARG 26 HH12 ARG 26 -20.946 -1.138 3.244 145 HH21 ARG 26 HH21 ARG 26 -21.495 -2.689 6.399 146 HH22 ARG 26 HH22 ARG 26 -22.212 -1.718 5.168 Start of MODEL 19 1 H1 GLY 1 H GLY 1 1.612 1.424 10.732 2 HA2 GLY 1 HA2 GLY 1 1.023 -0.452 12.242 3 HA3 GLY 1 HA3 GLY 1 -0.635 -0.273 11.651 4 H SER 2 H SER 2 -1.021 -2.040 10.466 5 HA SER 2 HA SER 2 0.030 -3.990 9.356 6 HB2 SER 2 HB2 SER 2 -1.728 -2.146 7.759 7 HB3 SER 2 HB3 SER 2 -1.493 -3.856 7.395 8 HG SER 2 HG SER 2 -3.334 -3.182 8.720 9 H GLY 3 H GLY 3 1.937 -4.413 8.777 10 HA2 GLY 3 HA2 GLY 3 3.929 -3.007 7.599 11 HA3 GLY 3 HA3 GLY 3 3.728 -4.755 7.449 12 H CYS 4 H CYS 4 4.794 -2.635 5.567 13 HA CYS 4 HA CYS 4 3.488 -3.708 3.224 14 HB2 CYS 4 HB2 CYS 4 2.348 -1.394 4.026 15 HB3 CYS 4 HB3 CYS 4 3.790 -0.717 3.210 16 H ASP 5 H ASP 5 4.684 -3.192 1.218 17 HA ASP 5 HA ASP 5 7.381 -2.157 1.501 18 HB2 ASP 5 HB2 ASP 5 7.058 -4.789 1.938 19 HB3 ASP 5 HB3 ASP 5 6.856 -4.842 0.189 20 H ASP 6 H ASP 6 8.250 -2.265 -0.779 21 HA ASP 6 HA ASP 6 6.548 -0.926 -2.653 22 HB2 ASP 6 HB2 ASP 6 8.970 -0.516 -2.603 23 HB3 ASP 6 HB3 ASP 6 9.282 -2.224 -2.986 24 H LYS 7 H LYS 7 7.688 -4.160 -2.220 25 HA LYS 7 HA LYS 7 7.123 -5.537 -4.551 26 HB2 LYS 7 HB2 LYS 7 6.364 -6.476 -1.736 27 HB3 LYS 7 HB3 LYS 7 6.447 -7.513 -3.164 28 HG2 LYS 7 HG2 LYS 7 8.844 -7.016 -3.405 29 HG3 LYS 7 HG3 LYS 7 8.809 -6.029 -1.941 30 HD2 LYS 7 HD2 LYS 7 7.982 -8.958 -1.951 31 HD3 LYS 7 HD3 LYS 7 9.660 -8.459 -1.773 32 HE2 LYS 7 HE2 LYS 7 9.151 -7.218 0.270 33 HE3 LYS 7 HE3 LYS 7 7.439 -7.660 0.134 34 HZ1 LYS 7 HZ1 LYS 7 8.090 -9.981 0.350 35 HZ2 LYS 7 HZ2 LYS 7 8.625 -9.146 1.656 36 HZ3 LYS 7 HZ3 LYS 7 9.668 -9.590 0.467 37 H CYS 8 H CYS 8 4.818 -4.595 -2.115 38 HA CYS 8 HA CYS 8 2.445 -5.724 -3.193 39 HB2 CYS 8 HB2 CYS 8 3.007 -5.250 -0.852 40 HB3 CYS 8 HB3 CYS 8 3.060 -3.514 -1.206 41 H GLY 9 H GLY 9 4.078 -3.095 -4.695 42 HA2 GLY 9 HA2 GLY 9 3.264 -1.581 -6.194 43 HA3 GLY 9 HA3 GLY 9 1.639 -2.311 -6.043 44 H CYS 10 H CYS 10 3.983 -0.776 -3.825 45 HA CYS 10 HA CYS 10 2.055 1.303 -3.118 46 HB2 CYS 10 HB2 CYS 10 3.291 -0.312 -0.815 47 HB3 CYS 10 HB3 CYS 10 2.198 1.061 -0.774 48 H ALA 11 H ALA 11 3.110 3.148 -3.046 49 HA ALA 11 HA ALA 11 5.956 3.241 -3.359 50 HB1 ALA 11 HB1 ALA 11 4.281 4.941 -4.206 51 HB2 ALA 11 HB2 ALA 11 4.227 5.590 -2.535 52 HB3 ALA 11 HB3 ALA 11 5.748 5.579 -3.431 53 H VAL 12 H VAL 12 7.069 4.988 -1.637 54 HA VAL 12 HA VAL 12 6.435 3.965 1.076 55 HB VAL 12 HB VAL 12 9.191 4.675 0.064 56 HG11 VAL 12 HG11 VAL 12 8.880 5.117 2.446 57 HG12 VAL 12 HG12 VAL 12 8.043 3.566 2.664 58 HG13 VAL 12 HG13 VAL 12 9.765 3.605 2.303 59 HG21 VAL 12 HG21 VAL 12 7.840 1.959 0.489 60 HG22 VAL 12 HG22 VAL 12 8.560 2.596 -0.995 61 HG23 VAL 12 HG23 VAL 12 9.599 2.196 0.352 62 HA PRO 13 HA PRO 13 5.510 4.670 2.805 63 HB2 PRO 13 HB2 PRO 13 3.495 6.071 3.883 64 HB3 PRO 13 HB3 PRO 13 5.186 6.380 4.369 65 HG2 PRO 13 HG2 PRO 13 3.533 7.907 2.325 66 HG3 PRO 13 HG3 PRO 13 4.477 8.562 3.707 67 HD2 PRO 13 HD2 PRO 13 5.494 8.411 1.150 68 HD3 PRO 13 HD3 PRO 13 6.523 8.209 2.600 69 H CYS 14 H CYS 14 3.076 3.828 2.786 70 HA CYS 14 HA CYS 14 2.383 3.283 0.095 71 HB2 CYS 14 HB2 CYS 14 1.735 1.807 1.988 72 HB3 CYS 14 HB3 CYS 14 0.674 3.054 2.603 73 HA PRO 15 HA PRO 15 0.318 7.209 -0.601 74 HB2 PRO 15 HB2 PRO 15 -0.798 6.760 -3.089 75 HB3 PRO 15 HB3 PRO 15 0.908 7.206 -2.802 76 HG2 PRO 15 HG2 PRO 15 -0.263 4.474 -3.313 77 HG3 PRO 15 HG3 PRO 15 1.250 5.177 -3.956 78 HD2 PRO 15 HD2 PRO 15 1.220 3.446 -1.825 79 HD3 PRO 15 HD3 PRO 15 2.401 4.781 -1.938 80 H GLY 16 H GLY 16 -1.274 4.130 -1.128 81 HA2 GLY 16 HA2 GLY 16 -3.153 3.261 -0.010 82 HA3 GLY 16 HA3 GLY 16 -3.531 4.868 0.574 83 H GLY 17 H GLY 17 -3.822 6.382 -1.723 84 HA2 GLY 17 HA2 GLY 17 -6.356 5.411 -2.742 85 HA3 GLY 17 HA3 GLY 17 -5.583 6.986 -3.027 86 H THR 18 H THR 18 -5.957 7.018 -5.180 87 HA THR 18 HA THR 18 -5.651 5.037 -7.068 88 HB THR 18 HB THR 18 -5.336 7.156 -8.564 89 HG1 THR 18 HG1 THR 18 -6.038 9.043 -7.502 90 HG21 THR 18 HG21 THR 18 -7.782 6.854 -6.755 91 HG22 THR 18 HG22 THR 18 -7.472 5.945 -8.240 92 HG23 THR 18 HG23 THR 18 -7.743 7.680 -8.325 93 H GLY 19 H GLY 19 -3.964 3.830 -7.164 94 HA2 GLY 19 HA2 GLY 19 -1.743 3.768 -8.394 95 HA3 GLY 19 HA3 GLY 19 -1.173 4.943 -7.206 96 H CYS 20 H CYS 20 -3.279 2.994 -5.520 97 HA CYS 20 HA CYS 20 -1.132 1.100 -4.648 98 HB2 CYS 20 HB2 CYS 20 -1.784 2.867 -2.981 99 HB3 CYS 20 HB3 CYS 20 -3.459 2.333 -3.153 100 H ARG 21 H ARG 21 -1.832 -0.980 -4.037 101 HA ARG 21 HA ARG 21 -4.532 -1.890 -4.983 102 HB2 ARG 21 HB2 ARG 21 -1.757 -3.093 -5.377 103 HB3 ARG 21 HB3 ARG 21 -3.229 -4.006 -5.666 104 HG2 ARG 21 HG2 ARG 21 -2.914 -1.359 -7.086 105 HG3 ARG 21 HG3 ARG 21 -1.968 -2.748 -7.627 106 HD2 ARG 21 HD2 ARG 21 -3.833 -4.006 -8.242 107 HD3 ARG 21 HD3 ARG 21 -4.911 -3.127 -7.153 108 HE ARG 21 HE ARG 21 -5.535 -1.889 -8.839 109 HH11 ARG 21 HH11 ARG 21 -1.989 -2.369 -9.571 110 HH12 ARG 21 HH12 ARG 21 -2.236 -1.767 -11.184 111 HH21 ARG 21 HH21 ARG 21 -5.651 -1.226 -11.023 112 HH22 ARG 21 HH22 ARG 21 -4.217 -0.971 -11.957 113 H CYS 22 H CYS 22 -4.176 -1.164 -2.195 114 HA CYS 22 HA CYS 22 -4.587 -3.714 -1.026 115 HB2 CYS 22 HB2 CYS 22 -3.016 -3.879 0.550 116 HB3 CYS 22 HB3 CYS 22 -2.228 -3.573 -0.982 117 H THR 23 H THR 23 -6.154 -1.260 -1.426 118 HA THR 23 HA THR 23 -6.553 -0.207 1.268 119 HB THR 23 HB THR 23 -6.765 1.231 -0.646 120 HG1 THR 23 HG1 THR 23 -9.258 0.815 0.585 121 HG21 THR 23 HG21 THR 23 -7.610 -0.254 -2.402 122 HG22 THR 23 HG22 THR 23 -8.606 1.180 -2.222 123 HG23 THR 23 HG23 THR 23 -9.173 -0.375 -1.568 124 H SER 24 H SER 24 -7.069 -3.229 0.167 125 HA SER 24 HA SER 24 -9.738 -3.893 0.635 126 HB2 SER 24 HB2 SER 24 -8.306 -6.152 1.199 127 HB3 SER 24 HB3 SER 24 -8.691 -5.591 -0.428 128 HG SER 24 HG SER 24 -6.463 -6.104 -0.120 129 H ALA 25 H ALA 25 -6.910 -3.606 2.876 130 HA ALA 25 HA ALA 25 -8.778 -3.455 5.144 131 HB1 ALA 25 HB1 ALA 25 -7.445 -5.114 6.439 132 HB2 ALA 25 HB2 ALA 25 -8.295 -5.851 5.069 133 HB3 ALA 25 HB3 ALA 25 -6.550 -5.539 4.956 134 H ARG 26 H ARG 26 -7.802 -2.431 6.937 135 HA ARG 26 HA ARG 26 -6.017 -0.308 6.337 136 HB2 ARG 26 HB2 ARG 26 -6.906 -1.501 9.005 137 HB3 ARG 26 HB3 ARG 26 -6.018 0.022 8.828 138 HG2 ARG 26 HG2 ARG 26 -7.834 0.895 7.364 139 HG3 ARG 26 HG3 ARG 26 -8.733 -0.593 7.567 140 HD2 ARG 26 HD2 ARG 26 -9.673 1.158 8.937 141 HD3 ARG 26 HD3 ARG 26 -9.037 -0.156 9.940 142 HE ARG 26 HE ARG 26 -6.969 1.685 9.787 143 HH11 ARG 26 HH11 ARG 26 -10.344 1.913 10.898 144 HH12 ARG 26 HH12 ARG 26 -10.002 3.193 11.998 145 HH21 ARG 26 HH21 ARG 26 -6.513 3.237 11.309 146 HH22 ARG 26 HH22 ARG 26 -7.717 3.763 12.431 Start of MODEL 20 1 H1 GLY 1 H GLY 1 6.920 -5.845 9.688 2 HA2 GLY 1 HA2 GLY 1 7.526 -3.862 11.828 3 HA3 GLY 1 HA3 GLY 1 7.663 -3.523 10.100 4 H SER 2 H SER 2 6.161 -1.755 10.725 5 HA SER 2 HA SER 2 3.377 -2.563 10.226 6 HB2 SER 2 HB2 SER 2 4.300 -0.933 12.605 7 HB3 SER 2 HB3 SER 2 2.690 -0.766 11.879 8 HG SER 2 HG SER 2 2.188 -2.310 13.125 9 H GLY 3 H GLY 3 3.624 -1.784 8.154 10 HA2 GLY 3 HA2 GLY 3 3.130 0.928 7.682 11 HA3 GLY 3 HA3 GLY 3 4.881 0.656 7.483 12 H CYS 4 H CYS 4 5.429 0.220 5.411 13 HA CYS 4 HA CYS 4 4.012 -1.832 3.883 14 HB2 CYS 4 HB2 CYS 4 2.809 0.587 3.742 15 HB3 CYS 4 HB3 CYS 4 4.128 0.889 2.610 16 H ASP 5 H ASP 5 5.018 -2.182 1.755 17 HA ASP 5 HA ASP 5 7.749 -1.203 1.460 18 HB2 ASP 5 HB2 ASP 5 7.020 -4.129 1.122 19 HB3 ASP 5 HB3 ASP 5 8.602 -3.389 1.140 20 H ASP 6 H ASP 6 8.390 -1.660 -0.800 21 HA ASP 6 HA ASP 6 6.438 -0.898 -2.667 22 HB2 ASP 6 HB2 ASP 6 8.149 -0.998 -4.252 23 HB3 ASP 6 HB3 ASP 6 8.998 -0.617 -2.749 24 H LYS 7 H LYS 7 7.589 -4.067 -1.647 25 HA LYS 7 HA LYS 7 6.705 -5.650 -3.785 26 HB2 LYS 7 HB2 LYS 7 6.753 -6.295 -0.812 27 HB3 LYS 7 HB3 LYS 7 6.397 -7.498 -2.048 28 HG2 LYS 7 HG2 LYS 7 8.958 -5.891 -2.140 29 HG3 LYS 7 HG3 LYS 7 8.799 -7.299 -1.099 30 HD2 LYS 7 HD2 LYS 7 7.982 -7.781 -3.916 31 HD3 LYS 7 HD3 LYS 7 9.684 -7.384 -3.714 32 HE2 LYS 7 HE2 LYS 7 8.317 -9.506 -2.011 33 HE3 LYS 7 HE3 LYS 7 8.995 -9.888 -3.597 34 HZ1 LYS 7 HZ1 LYS 7 10.508 -10.257 -1.630 35 HZ2 LYS 7 HZ2 LYS 7 10.678 -8.628 -1.514 36 HZ3 LYS 7 HZ3 LYS 7 11.141 -9.415 -2.866 37 H CYS 8 H CYS 8 4.791 -4.294 -1.076 38 HA CYS 8 HA CYS 8 2.437 -5.777 -1.611 39 HB2 CYS 8 HB2 CYS 8 3.175 -4.831 0.469 40 HB3 CYS 8 HB3 CYS 8 3.011 -3.189 -0.145 41 H GLY 9 H GLY 9 3.528 -3.739 -4.037 42 HA2 GLY 9 HA2 GLY 9 2.400 -2.568 -5.669 43 HA3 GLY 9 HA3 GLY 9 0.920 -3.383 -5.116 44 H CYS 10 H CYS 10 3.242 -1.294 -3.669 45 HA CYS 10 HA CYS 10 1.354 0.914 -3.134 46 HB2 CYS 10 HB2 CYS 10 2.878 -0.607 -0.976 47 HB3 CYS 10 HB3 CYS 10 1.993 0.869 -0.725 48 H ALA 11 H ALA 11 2.544 2.830 -3.213 49 HA ALA 11 HA ALA 11 5.384 2.698 -3.796 50 HB1 ALA 11 HB1 ALA 11 3.683 4.384 -4.758 51 HB2 ALA 11 HB2 ALA 11 3.811 5.228 -3.188 52 HB3 ALA 11 HB3 ALA 11 5.228 5.024 -4.200 53 H VAL 12 H VAL 12 6.662 4.689 -2.382 54 HA VAL 12 HA VAL 12 6.240 4.003 0.477 55 HB VAL 12 HB VAL 12 8.930 4.277 -0.895 56 HG11 VAL 12 HG11 VAL 12 8.139 3.313 1.899 57 HG12 VAL 12 HG12 VAL 12 9.787 3.421 1.242 58 HG13 VAL 12 HG13 VAL 12 8.865 4.896 1.520 59 HG21 VAL 12 HG21 VAL 12 9.159 1.834 -0.513 60 HG22 VAL 12 HG22 VAL 12 7.450 1.755 -0.012 61 HG23 VAL 12 HG23 VAL 12 7.900 2.191 -1.677 62 HA PRO 13 HA PRO 13 5.350 5.087 2.067 63 HB2 PRO 13 HB2 PRO 13 3.417 6.857 2.774 64 HB3 PRO 13 HB3 PRO 13 5.099 7.011 3.380 65 HG2 PRO 13 HG2 PRO 13 3.844 8.390 0.970 66 HG3 PRO 13 HG3 PRO 13 4.707 9.152 2.337 67 HD2 PRO 13 HD2 PRO 13 6.028 8.573 0.033 68 HD3 PRO 13 HD3 PRO 13 6.815 8.287 1.613 69 H CYS 14 H CYS 14 3.194 4.222 2.030 70 HA CYS 14 HA CYS 14 2.293 3.643 -0.618 71 HB2 CYS 14 HB2 CYS 14 2.188 2.068 1.196 72 HB3 CYS 14 HB3 CYS 14 1.149 3.113 2.134 73 HA PRO 15 HA PRO 15 -0.273 7.325 -1.043 74 HB2 PRO 15 HB2 PRO 15 -1.646 6.693 -3.375 75 HB3 PRO 15 HB3 PRO 15 0.070 7.226 -3.308 76 HG2 PRO 15 HG2 PRO 15 -1.041 4.419 -3.406 77 HG3 PRO 15 HG3 PRO 15 0.251 5.122 -4.437 78 HD2 PRO 15 HD2 PRO 15 0.869 3.619 -2.289 79 HD3 PRO 15 HD3 PRO 15 1.791 5.115 -2.632 80 H GLY 16 H GLY 16 -1.470 4.312 -0.279 81 HA2 GLY 16 HA2 GLY 16 -3.303 3.438 0.624 82 HA3 GLY 16 HA3 GLY 16 -3.723 5.076 1.118 83 H GLY 17 H GLY 17 -4.289 5.958 -1.706 84 HA2 GLY 17 HA2 GLY 17 -7.038 5.045 -1.896 85 HA3 GLY 17 HA3 GLY 17 -6.221 6.273 -2.882 86 H THR 18 H THR 18 -7.148 5.402 -4.774 87 HA THR 18 HA THR 18 -7.265 2.865 -5.713 88 HB THR 18 HB THR 18 -8.239 4.845 -6.737 89 HG1 THR 18 HG1 THR 18 -7.872 4.195 -8.910 90 HG21 THR 18 HG21 THR 18 -6.347 6.424 -6.703 91 HG22 THR 18 HG22 THR 18 -7.009 6.249 -8.328 92 HG23 THR 18 HG23 THR 18 -5.492 5.432 -7.903 93 H GLY 19 H GLY 19 -4.235 4.778 -5.685 94 HA2 GLY 19 HA2 GLY 19 -2.750 2.814 -7.238 95 HA3 GLY 19 HA3 GLY 19 -2.117 4.225 -6.388 96 H CYS 20 H CYS 20 -4.112 1.865 -4.658 97 HA CYS 20 HA CYS 20 -1.714 0.745 -3.311 98 HB2 CYS 20 HB2 CYS 20 -2.855 2.534 -1.968 99 HB3 CYS 20 HB3 CYS 20 -4.370 1.600 -2.112 100 H ARG 21 H ARG 21 -1.676 -1.395 -3.922 101 HA ARG 21 HA ARG 21 -4.077 -3.049 -3.981 102 HB2 ARG 21 HB2 ARG 21 -1.085 -3.669 -4.084 103 HB3 ARG 21 HB3 ARG 21 -2.327 -4.890 -4.270 104 HG2 ARG 21 HG2 ARG 21 -2.053 -2.473 -6.114 105 HG3 ARG 21 HG3 ARG 21 -1.340 -4.050 -6.431 106 HD2 ARG 21 HD2 ARG 21 -4.324 -3.560 -6.040 107 HD3 ARG 21 HD3 ARG 21 -3.533 -3.696 -7.596 108 HE ARG 21 HE ARG 21 -4.232 -5.810 -5.742 109 HH11 ARG 21 HH11 ARG 21 -2.311 -5.018 -8.708 110 HH12 ARG 21 HH12 ARG 21 -2.013 -6.701 -9.039 111 HH21 ARG 21 HH21 ARG 21 -3.864 -8.049 -6.432 112 HH22 ARG 21 HH22 ARG 21 -2.880 -8.306 -7.850 113 H CYS 22 H CYS 22 -3.965 -1.769 -1.505 114 HA CYS 22 HA CYS 22 -4.107 -3.890 0.321 115 HB2 CYS 22 HB2 CYS 22 -2.348 -3.861 1.620 116 HB3 CYS 22 HB3 CYS 22 -1.587 -3.329 0.140 117 H THR 23 H THR 23 -6.150 -2.579 -0.216 118 HA THR 23 HA THR 23 -6.457 -0.414 1.800 119 HB THR 23 HB THR 23 -6.384 0.566 -0.380 120 HG1 THR 23 HG1 THR 23 -8.886 0.411 0.878 121 HG21 THR 23 HG21 THR 23 -8.051 0.151 -2.117 122 HG22 THR 23 HG22 THR 23 -8.707 -1.221 -1.199 123 HG23 THR 23 HG23 THR 23 -7.055 -1.274 -1.851 124 H SER 24 H SER 24 -6.786 -3.436 1.939 125 HA SER 24 HA SER 24 -9.520 -4.142 1.989 126 HB2 SER 24 HB2 SER 24 -7.322 -5.103 3.845 127 HB3 SER 24 HB3 SER 24 -8.798 -5.982 3.402 128 HG SER 24 HG SER 24 -7.043 -6.758 2.240 129 H ALA 25 H ALA 25 -11.074 -3.860 3.538 130 HA ALA 25 HA ALA 25 -12.267 -2.785 5.103 131 HB1 ALA 25 HB1 ALA 25 -9.944 -3.595 6.883 132 HB2 ALA 25 HB2 ALA 25 -11.602 -3.254 7.407 133 HB3 ALA 25 HB3 ALA 25 -11.283 -4.649 6.369 134 H ARG 26 H ARG 26 -10.210 -0.951 3.705 135 HA ARG 26 HA ARG 26 -9.308 1.016 5.542 136 HB2 ARG 26 HB2 ARG 26 -8.600 0.826 3.162 137 HB3 ARG 26 HB3 ARG 26 -10.172 1.418 2.642 138 HG2 ARG 26 HG2 ARG 26 -8.183 2.985 4.360 139 HG3 ARG 26 HG3 ARG 26 -8.296 3.065 2.606 140 HD2 ARG 26 HD2 ARG 26 -10.835 3.697 3.110 141 HD3 ARG 26 HD3 ARG 26 -10.174 4.200 4.667 142 HE ARG 26 HE ARG 26 -9.627 5.268 1.965 143 HH11 ARG 26 HH11 ARG 26 -9.091 5.717 5.464 144 HH12 ARG 26 HH12 ARG 26 -8.383 7.266 5.290 145 HH21 ARG 26 HH21 ARG 26 -8.924 7.408 1.809 146 HH22 ARG 26 HH22 ARG 26 -8.042 8.184 3.050 Start of MODEL 21 1 H1 GLY 1 H GLY 1 6.693 7.140 -8.326 2 HA2 GLY 1 HA2 GLY 1 8.664 9.130 -7.398 3 HA3 GLY 1 HA3 GLY 1 6.970 9.594 -7.717 4 H SER 2 H SER 2 6.362 10.031 -5.570 5 HA SER 2 HA SER 2 6.891 8.199 -3.397 6 HB2 SER 2 HB2 SER 2 5.050 9.731 -2.360 7 HB3 SER 2 HB3 SER 2 6.577 10.490 -2.807 8 HG SER 2 HG SER 2 4.464 11.486 -3.563 9 H GLY 3 H GLY 3 4.747 7.458 -2.162 10 HA2 GLY 3 HA2 GLY 3 2.307 6.949 -2.925 11 HA3 GLY 3 HA3 GLY 3 3.112 5.925 -4.126 12 H CYS 4 H CYS 4 4.920 4.444 -3.151 13 HA CYS 4 HA CYS 4 4.452 3.638 -0.394 14 HB2 CYS 4 HB2 CYS 4 3.688 1.967 -2.792 15 HB3 CYS 4 HB3 CYS 4 4.091 1.208 -1.259 16 H ASP 5 H ASP 5 6.204 2.989 0.562 17 HA ASP 5 HA ASP 5 8.598 2.247 -0.897 18 HB2 ASP 5 HB2 ASP 5 8.438 2.898 2.036 19 HB3 ASP 5 HB3 ASP 5 9.685 3.335 0.860 20 H ASP 6 H ASP 6 9.749 0.338 0.191 21 HA ASP 6 HA ASP 6 8.159 -1.875 0.424 22 HB2 ASP 6 HB2 ASP 6 10.406 -2.222 0.016 23 HB3 ASP 6 HB3 ASP 6 10.917 -1.240 1.383 24 H LYS 7 H LYS 7 9.190 0.026 3.294 25 HA LYS 7 HA LYS 7 7.795 -1.920 5.031 26 HB2 LYS 7 HB2 LYS 7 9.231 0.635 5.749 27 HB3 LYS 7 HB3 LYS 7 8.712 -0.627 6.873 28 HG2 LYS 7 HG2 LYS 7 10.250 -2.227 5.818 29 HG3 LYS 7 HG3 LYS 7 10.815 -0.973 4.705 30 HD2 LYS 7 HD2 LYS 7 11.079 -0.723 7.729 31 HD3 LYS 7 HD3 LYS 7 12.305 -1.458 6.682 32 HE2 LYS 7 HE2 LYS 7 12.434 0.639 5.354 33 HE3 LYS 7 HE3 LYS 7 11.304 1.416 6.470 34 HZ1 LYS 7 HZ1 LYS 7 13.938 0.301 7.274 35 HZ2 LYS 7 HZ2 LYS 7 12.954 1.178 8.226 36 HZ3 LYS 7 HZ3 LYS 7 13.659 1.873 6.924 37 H CYS 8 H CYS 8 6.360 0.150 3.162 38 HA CYS 8 HA CYS 8 4.823 1.703 5.097 39 HB2 CYS 8 HB2 CYS 8 4.224 3.002 3.394 40 HB3 CYS 8 HB3 CYS 8 5.713 2.337 2.757 41 H GLY 9 H GLY 9 4.258 -1.356 5.251 42 HA2 GLY 9 HA2 GLY 9 2.445 -2.428 5.897 43 HA3 GLY 9 HA3 GLY 9 1.432 -1.033 5.513 44 H CYS 10 H CYS 10 3.538 -1.916 2.893 45 HA CYS 10 HA CYS 10 1.346 -3.524 1.799 46 HB2 CYS 10 HB2 CYS 10 3.047 -1.770 0.031 47 HB3 CYS 10 HB3 CYS 10 1.512 -2.550 -0.315 48 H ALA 11 H ALA 11 1.859 -4.829 -0.064 49 HA ALA 11 HA ALA 11 4.267 -6.376 0.237 50 HB1 ALA 11 HB1 ALA 11 2.213 -7.408 -0.600 51 HB2 ALA 11 HB2 ALA 11 2.081 -6.198 -1.908 52 HB3 ALA 11 HB3 ALA 11 3.390 -7.382 -1.933 53 H VAL 12 H VAL 12 5.684 -6.711 -1.877 54 HA VAL 12 HA VAL 12 6.053 -4.125 -3.263 55 HB VAL 12 HB VAL 12 8.334 -5.714 -2.090 56 HG11 VAL 12 HG11 VAL 12 9.572 -3.614 -2.659 57 HG12 VAL 12 HG12 VAL 12 8.913 -4.408 -4.110 58 HG13 VAL 12 HG13 VAL 12 8.109 -2.976 -3.437 59 HG21 VAL 12 HG21 VAL 12 8.579 -3.785 -0.566 60 HG22 VAL 12 HG22 VAL 12 7.013 -3.142 -1.118 61 HG23 VAL 12 HG23 VAL 12 7.109 -4.681 -0.230 62 HA PRO 13 HA PRO 13 6.035 -3.413 -5.216 63 HB2 PRO 13 HB2 PRO 13 4.592 -3.526 -7.508 64 HB3 PRO 13 HB3 PRO 13 6.388 -3.547 -7.480 65 HG2 PRO 13 HG2 PRO 13 4.474 -5.877 -7.692 66 HG3 PRO 13 HG3 PRO 13 5.922 -5.530 -8.711 67 HD2 PRO 13 HD2 PRO 13 6.093 -7.258 -6.619 68 HD3 PRO 13 HD3 PRO 13 7.403 -6.123 -7.009 69 H CYS 14 H CYS 14 4.048 -2.352 -4.737 70 HA CYS 14 HA CYS 14 2.050 -4.007 -3.397 71 HB2 CYS 14 HB2 CYS 14 2.875 -2.031 -2.286 72 HB3 CYS 14 HB3 CYS 14 2.590 -1.080 -3.726 73 HA PRO 15 HA PRO 15 -0.509 -3.807 -7.144 74 HB2 PRO 15 HB2 PRO 15 -2.921 -4.638 -5.988 75 HB3 PRO 15 HB3 PRO 15 -1.652 -5.701 -6.666 76 HG2 PRO 15 HG2 PRO 15 -2.136 -4.820 -3.845 77 HG3 PRO 15 HG3 PRO 15 -1.724 -6.485 -4.399 78 HD2 PRO 15 HD2 PRO 15 0.129 -4.885 -3.286 79 HD3 PRO 15 HD3 PRO 15 0.563 -5.851 -4.737 80 H GLY 16 H GLY 16 -1.293 -2.186 -4.087 81 HA2 GLY 16 HA2 GLY 16 -1.970 0.060 -4.004 82 HA3 GLY 16 HA3 GLY 16 -2.548 -0.027 -5.659 83 H GLY 17 H GLY 17 -4.287 -2.368 -5.332 84 HA2 GLY 17 HA2 GLY 17 -6.557 -1.042 -4.100 85 HA3 GLY 17 HA3 GLY 17 -6.534 -2.602 -4.924 86 H THR 18 H THR 18 -7.177 -4.243 -3.690 87 HA THR 18 HA THR 18 -7.534 -4.231 -0.966 88 HB THR 18 HB THR 18 -6.982 -6.751 -2.503 89 HG1 THR 18 HG1 THR 18 -8.818 -6.535 -3.692 90 HG21 THR 18 HG21 THR 18 -7.995 -6.853 -0.216 91 HG22 THR 18 HG22 THR 18 -9.082 -7.499 -1.452 92 HG23 THR 18 HG23 THR 18 -9.361 -5.874 -0.800 93 H GLY 19 H GLY 19 -4.586 -4.791 -2.760 94 HA2 GLY 19 HA2 GLY 19 -3.185 -6.094 -0.510 95 HA3 GLY 19 HA3 GLY 19 -2.485 -5.736 -2.067 96 H CYS 20 H CYS 20 -4.237 -2.981 -0.794 97 HA CYS 20 HA CYS 20 -1.737 -1.905 0.402 98 HB2 CYS 20 HB2 CYS 20 -2.558 -0.911 -1.850 99 HB3 CYS 20 HB3 CYS 20 -3.850 -0.204 -0.888 100 H ARG 21 H ARG 21 -2.223 -0.423 2.251 101 HA ARG 21 HA ARG 21 -4.919 -0.422 3.380 102 HB2 ARG 21 HB2 ARG 21 -4.095 -1.223 5.572 103 HB3 ARG 21 HB3 ARG 21 -3.937 -2.473 4.350 104 HG2 ARG 21 HG2 ARG 21 -1.654 -2.437 4.399 105 HG3 ARG 21 HG3 ARG 21 -1.525 -0.715 4.711 106 HD2 ARG 21 HD2 ARG 21 -0.684 -1.679 6.649 107 HD3 ARG 21 HD3 ARG 21 -2.321 -1.168 7.086 108 HE ARG 21 HE ARG 21 -2.323 -3.886 6.127 109 HH11 ARG 21 HH11 ARG 21 -1.246 -2.076 9.051 110 HH12 ARG 21 HH12 ARG 21 -1.456 -3.478 10.054 111 HH21 ARG 21 HH21 ARG 21 -2.435 -5.639 7.473 112 HH22 ARG 21 HH22 ARG 21 -2.103 -5.516 9.172 113 H CYS 22 H CYS 22 -3.148 1.535 2.160 114 HA CYS 22 HA CYS 22 -2.357 3.217 4.496 115 HB2 CYS 22 HB2 CYS 22 -1.560 4.005 1.743 116 HB3 CYS 22 HB3 CYS 22 -0.755 4.298 3.260 117 H THR 23 H THR 23 -3.782 3.658 1.156 118 HA THR 23 HA THR 23 -5.041 6.141 1.903 119 HB THR 23 HB THR 23 -4.317 5.586 -0.424 120 HG1 THR 23 HG1 THR 23 -5.784 7.132 -0.418 121 HG21 THR 23 HG21 THR 23 -5.695 4.147 -1.883 122 HG22 THR 23 HG22 THR 23 -6.633 3.596 -0.493 123 HG23 THR 23 HG23 THR 23 -4.925 3.180 -0.628 124 H SER 24 H SER 24 -7.361 6.490 2.052 125 HA SER 24 HA SER 24 -8.722 4.375 3.534 126 HB2 SER 24 HB2 SER 24 -8.851 6.666 4.287 127 HB3 SER 24 HB3 SER 24 -9.494 7.202 2.737 128 HG SER 24 HG SER 24 -11.377 6.272 3.169 129 H ALA 25 H ALA 25 -8.610 5.617 0.234 130 HA ALA 25 HA ALA 25 -11.138 4.829 -0.709 131 HB1 ALA 25 HB1 ALA 25 -10.119 5.040 -2.898 132 HB2 ALA 25 HB2 ALA 25 -9.511 6.328 -1.857 133 HB3 ALA 25 HB3 ALA 25 -8.494 4.903 -2.209 134 H ARG 26 H ARG 26 -12.006 2.881 -0.809 135 HA ARG 26 HA ARG 26 -10.788 0.462 -0.220 136 HB2 ARG 26 HB2 ARG 26 -13.283 1.146 -0.175 137 HB3 ARG 26 HB3 ARG 26 -13.307 0.799 -1.901 138 HG2 ARG 26 HG2 ARG 26 -14.196 -1.061 -0.624 139 HG3 ARG 26 HG3 ARG 26 -12.697 -1.564 -1.425 140 HD2 ARG 26 HD2 ARG 26 -11.466 -1.417 0.657 141 HD3 ARG 26 HD3 ARG 26 -12.762 -0.509 1.415 142 HE ARG 26 HE ARG 26 -12.642 -3.405 0.937 143 HH11 ARG 26 HH11 ARG 26 -14.393 -0.624 2.336 144 HH12 ARG 26 HH12 ARG 26 -15.326 -1.599 3.416 145 HH21 ARG 26 HH21 ARG 26 -14.127 -4.691 2.172 146 HH22 ARG 26 HH22 ARG 26 -15.114 -3.941 3.387 Start of MODEL 22 1 H1 GLY 1 H GLY 1 1.321 9.226 -8.433 2 HA2 GLY 1 HA2 GLY 1 0.552 7.042 -9.210 3 HA3 GLY 1 HA3 GLY 1 2.189 6.426 -8.919 4 H SER 2 H SER 2 2.802 5.891 -6.776 5 HA SER 2 HA SER 2 1.310 6.677 -4.460 6 HB2 SER 2 HB2 SER 2 -0.316 5.017 -5.258 7 HB3 SER 2 HB3 SER 2 0.959 3.813 -5.449 8 HG SER 2 HG SER 2 0.060 5.035 -3.044 9 H GLY 3 H GLY 3 3.457 7.324 -3.821 10 HA2 GLY 3 HA2 GLY 3 5.747 5.595 -3.983 11 HA3 GLY 3 HA3 GLY 3 5.570 7.064 -3.002 12 H CYS 4 H CYS 4 5.476 3.640 -2.996 13 HA CYS 4 HA CYS 4 4.794 3.574 -0.099 14 HB2 CYS 4 HB2 CYS 4 4.064 1.740 -2.388 15 HB3 CYS 4 HB3 CYS 4 4.082 1.163 -0.756 16 H ASP 5 H ASP 5 6.293 2.565 1.182 17 HA ASP 5 HA ASP 5 8.480 1.093 -0.185 18 HB2 ASP 5 HB2 ASP 5 8.818 3.427 1.148 19 HB3 ASP 5 HB3 ASP 5 8.959 2.302 2.505 20 H ASP 6 H ASP 6 9.683 -0.342 1.636 21 HA ASP 6 HA ASP 6 7.759 -2.350 2.217 22 HB2 ASP 6 HB2 ASP 6 10.492 -2.303 1.953 23 HB3 ASP 6 HB3 ASP 6 10.311 -2.611 3.685 24 H LYS 7 H LYS 7 8.906 0.298 4.246 25 HA LYS 7 HA LYS 7 7.876 -0.972 6.705 26 HB2 LYS 7 HB2 LYS 7 8.568 1.950 6.271 27 HB3 LYS 7 HB3 LYS 7 8.413 1.090 7.800 28 HG2 LYS 7 HG2 LYS 7 10.416 -0.355 6.589 29 HG3 LYS 7 HG3 LYS 7 10.682 1.238 5.890 30 HD2 LYS 7 HD2 LYS 7 12.055 1.204 7.795 31 HD3 LYS 7 HD3 LYS 7 10.640 2.124 8.344 32 HE2 LYS 7 HE2 LYS 7 9.711 0.057 9.387 33 HE3 LYS 7 HE3 LYS 7 11.058 -0.882 8.726 34 HZ1 LYS 7 HZ1 LYS 7 11.464 -0.458 10.957 35 HZ2 LYS 7 HZ2 LYS 7 11.246 1.163 10.841 36 HZ3 LYS 7 HZ3 LYS 7 12.554 0.421 10.123 37 H CYS 8 H CYS 8 6.286 0.180 4.044 38 HA CYS 8 HA CYS 8 4.239 1.750 5.432 39 HB2 CYS 8 HB2 CYS 8 4.060 2.752 3.507 40 HB3 CYS 8 HB3 CYS 8 5.567 1.957 3.094 41 H GLY 9 H GLY 9 4.346 -1.646 5.007 42 HA2 GLY 9 HA2 GLY 9 2.665 -3.086 5.180 43 HA3 GLY 9 HA3 GLY 9 1.499 -1.764 5.205 44 H CYS 10 H CYS 10 4.054 -2.422 2.689 45 HA CYS 10 HA CYS 10 2.082 -3.476 0.942 46 HB2 CYS 10 HB2 CYS 10 3.734 -1.107 0.014 47 HB3 CYS 10 HB3 CYS 10 2.668 -2.181 -0.912 48 H ALA 11 H ALA 11 3.025 -4.677 -0.784 49 HA ALA 11 HA ALA 11 5.632 -5.732 -0.295 50 HB1 ALA 11 HB1 ALA 11 5.260 -7.005 -2.353 51 HB2 ALA 11 HB2 ALA 11 3.779 -6.977 -1.390 52 HB3 ALA 11 HB3 ALA 11 3.931 -5.924 -2.821 53 H VAL 12 H VAL 12 7.312 -5.808 -2.187 54 HA VAL 12 HA VAL 12 7.634 -3.169 -3.495 55 HB VAL 12 HB VAL 12 9.592 -4.773 -1.829 56 HG11 VAL 12 HG11 VAL 12 10.848 -4.151 -3.791 57 HG12 VAL 12 HG12 VAL 12 10.169 -2.514 -3.786 58 HG13 VAL 12 HG13 VAL 12 11.269 -3.036 -2.492 59 HG21 VAL 12 HG21 VAL 12 8.677 -1.860 -1.708 60 HG22 VAL 12 HG22 VAL 12 8.175 -3.148 -0.586 61 HG23 VAL 12 HG23 VAL 12 9.861 -2.629 -0.633 62 HA PRO 13 HA PRO 13 7.654 -2.520 -5.511 63 HB2 PRO 13 HB2 PRO 13 6.398 -2.708 -7.897 64 HB3 PRO 13 HB3 PRO 13 8.180 -2.779 -7.758 65 HG2 PRO 13 HG2 PRO 13 6.250 -5.110 -7.979 66 HG3 PRO 13 HG3 PRO 13 7.748 -4.809 -8.923 67 HD2 PRO 13 HD2 PRO 13 7.683 -6.433 -6.700 68 HD3 PRO 13 HD3 PRO 13 9.114 -5.451 -7.119 69 H CYS 14 H CYS 14 5.380 -1.527 -5.729 70 HA CYS 14 HA CYS 14 3.543 -3.097 -4.087 71 HB2 CYS 14 HB2 CYS 14 4.102 -0.565 -3.925 72 HB3 CYS 14 HB3 CYS 14 3.001 -0.360 -5.250 73 HA PRO 15 HA PRO 15 1.431 -4.391 -7.967 74 HB2 PRO 15 HB2 PRO 15 -0.754 -5.687 -6.841 75 HB3 PRO 15 HB3 PRO 15 0.838 -6.451 -7.024 76 HG2 PRO 15 HG2 PRO 15 -0.306 -5.079 -4.584 77 HG3 PRO 15 HG3 PRO 15 0.542 -6.646 -4.691 78 HD2 PRO 15 HD2 PRO 15 1.837 -4.394 -3.900 79 HD3 PRO 15 HD3 PRO 15 2.655 -5.561 -4.977 80 H GLY 16 H GLY 16 -0.036 -2.769 -5.189 81 HA2 GLY 16 HA2 GLY 16 -1.343 -0.883 -5.177 82 HA3 GLY 16 HA3 GLY 16 -1.553 -0.959 -6.915 83 H GLY 17 H GLY 17 -2.463 -3.891 -6.604 84 HA2 GLY 17 HA2 GLY 17 -5.269 -3.448 -6.340 85 HA3 GLY 17 HA3 GLY 17 -4.446 -4.998 -6.568 86 H THR 18 H THR 18 -5.718 -6.114 -5.023 87 HA THR 18 HA THR 18 -6.460 -5.319 -2.493 88 HB THR 18 HB THR 18 -6.418 -7.807 -1.974 89 HG1 THR 18 HG1 THR 18 -5.002 -8.759 -3.298 90 HG21 THR 18 HG21 THR 18 -8.405 -6.634 -2.936 91 HG22 THR 18 HG22 THR 18 -8.275 -8.295 -3.513 92 HG23 THR 18 HG23 THR 18 -7.795 -6.961 -4.572 93 H GLY 19 H GLY 19 -3.169 -6.280 -3.411 94 HA2 GLY 19 HA2 GLY 19 -2.243 -6.825 -0.738 95 HA3 GLY 19 HA3 GLY 19 -1.276 -6.487 -2.183 96 H CYS 20 H CYS 20 -2.900 -3.769 -2.415 97 HA CYS 20 HA CYS 20 -0.899 -2.333 -0.781 98 HB2 CYS 20 HB2 CYS 20 -1.434 -1.577 -3.101 99 HB3 CYS 20 HB3 CYS 20 -3.030 -1.077 -2.522 100 H ARG 21 H ARG 21 -1.800 -3.162 1.242 101 HA ARG 21 HA ARG 21 -4.491 -2.342 1.995 102 HB2 ARG 21 HB2 ARG 21 -4.140 -3.324 4.154 103 HB3 ARG 21 HB3 ARG 21 -3.715 -4.346 2.815 104 HG2 ARG 21 HG2 ARG 21 -2.123 -4.871 4.327 105 HG3 ARG 21 HG3 ARG 21 -1.237 -3.763 3.300 106 HD2 ARG 21 HD2 ARG 21 -2.645 -2.879 5.846 107 HD3 ARG 21 HD3 ARG 21 -1.064 -3.648 5.919 108 HE ARG 21 HE ARG 21 -0.327 -1.830 4.301 109 HH11 ARG 21 HH11 ARG 21 -2.436 -1.485 7.141 110 HH12 ARG 21 HH12 ARG 21 -2.046 0.167 7.427 111 HH21 ARG 21 HH21 ARG 21 0.486 0.351 5.064 112 HH22 ARG 21 HH22 ARG 21 -0.564 1.218 6.149 113 H CYS 22 H CYS 22 -2.759 -0.118 1.312 114 HA CYS 22 HA CYS 22 -2.616 1.576 3.751 115 HB2 CYS 22 HB2 CYS 22 -2.012 2.081 0.839 116 HB3 CYS 22 HB3 CYS 22 -1.755 3.270 2.098 117 H THR 23 H THR 23 -4.941 1.073 1.063 118 HA THR 23 HA THR 23 -5.787 3.842 1.096 119 HB THR 23 HB THR 23 -6.063 2.418 -0.851 120 HG1 THR 23 HG1 THR 23 -8.114 3.197 -1.283 121 HG21 THR 23 HG21 THR 23 -8.172 0.951 0.774 122 HG22 THR 23 HG22 THR 23 -6.675 0.270 0.077 123 HG23 THR 23 HG23 THR 23 -7.967 0.852 -0.979 124 H SER 24 H SER 24 -8.172 4.315 1.750 125 HA SER 24 HA SER 24 -8.590 3.260 4.507 126 HB2 SER 24 HB2 SER 24 -9.716 5.550 4.811 127 HB3 SER 24 HB3 SER 24 -7.954 5.424 4.833 128 HG SER 24 HG SER 24 -8.428 7.140 3.572 129 H ALA 25 H ALA 25 -10.098 1.752 4.414 130 HA ALA 25 HA ALA 25 -12.169 1.614 2.413 131 HB1 ALA 25 HB1 ALA 25 -13.067 -0.157 3.874 132 HB2 ALA 25 HB2 ALA 25 -11.321 -0.380 3.650 133 HB3 ALA 25 HB3 ALA 25 -11.950 0.306 5.173 134 H ARG 26 H ARG 26 -14.220 2.665 2.470 135 HA ARG 26 HA ARG 26 -15.219 3.762 4.954 136 HB2 ARG 26 HB2 ARG 26 -15.413 6.049 4.020 137 HB3 ARG 26 HB3 ARG 26 -13.725 5.592 4.230 138 HG2 ARG 26 HG2 ARG 26 -13.414 5.280 1.868 139 HG3 ARG 26 HG3 ARG 26 -15.159 5.316 1.543 140 HD2 ARG 26 HD2 ARG 26 -15.301 7.638 2.245 141 HD3 ARG 26 HD3 ARG 26 -13.574 7.660 2.645 142 HE ARG 26 HE ARG 26 -13.266 6.963 0.182 143 HH11 ARG 26 HH11 ARG 26 -16.047 8.990 1.123 144 HH12 ARG 26 HH12 ARG 26 -16.057 9.859 -0.356 145 HH21 ARG 26 HH21 ARG 26 -13.250 8.200 -1.748 146 HH22 ARG 26 HH22 ARG 26 -14.371 9.492 -1.948 Start of MODEL 23 1 H1 GLY 1 H GLY 1 2.402 5.987 -11.733 2 HA2 GLY 1 HA2 GLY 1 2.753 8.048 -9.627 3 HA3 GLY 1 HA3 GLY 1 1.198 7.561 -10.300 4 H SER 2 H SER 2 3.921 6.559 -8.286 5 HA SER 2 HA SER 2 2.334 4.933 -6.538 6 HB2 SER 2 HB2 SER 2 4.366 3.717 -8.453 7 HB3 SER 2 HB3 SER 2 4.161 3.048 -6.827 8 HG SER 2 HG SER 2 2.797 2.292 -8.741 9 H GLY 3 H GLY 3 3.654 4.433 -4.633 10 HA2 GLY 3 HA2 GLY 3 6.329 5.192 -4.198 11 HA3 GLY 3 HA3 GLY 3 5.285 6.563 -3.772 12 H CYS 4 H CYS 4 6.621 3.735 -2.580 13 HA CYS 4 HA CYS 4 5.561 3.765 -0.026 14 HB2 CYS 4 HB2 CYS 4 3.985 2.136 -1.972 15 HB3 CYS 4 HB3 CYS 4 4.397 1.390 -0.429 16 H ASP 5 H ASP 5 6.894 2.890 1.143 17 HA ASP 5 HA ASP 5 9.233 1.593 0.208 18 HB2 ASP 5 HB2 ASP 5 8.628 2.085 3.099 19 HB3 ASP 5 HB3 ASP 5 10.055 2.505 2.148 20 H ASP 6 H ASP 6 10.031 -0.256 1.655 21 HA ASP 6 HA ASP 6 8.106 -2.428 1.602 22 HB2 ASP 6 HB2 ASP 6 10.066 -3.751 2.532 23 HB3 ASP 6 HB3 ASP 6 10.311 -2.954 0.973 24 H LYS 7 H LYS 7 9.327 -0.295 4.137 25 HA LYS 7 HA LYS 7 8.121 -2.028 6.215 26 HB2 LYS 7 HB2 LYS 7 9.195 -0.729 7.779 27 HB3 LYS 7 HB3 LYS 7 10.298 -0.859 6.398 28 HG2 LYS 7 HG2 LYS 7 9.593 1.492 5.739 29 HG3 LYS 7 HG3 LYS 7 8.667 1.563 7.226 30 HD2 LYS 7 HD2 LYS 7 10.796 2.685 7.491 31 HD3 LYS 7 HD3 LYS 7 10.719 1.310 8.583 32 HE2 LYS 7 HE2 LYS 7 11.975 0.912 5.867 33 HE3 LYS 7 HE3 LYS 7 12.861 1.908 7.013 34 HZ1 LYS 7 HZ1 LYS 7 11.973 -0.800 7.804 35 HZ2 LYS 7 HZ2 LYS 7 13.187 0.149 8.426 36 HZ3 LYS 7 HZ3 LYS 7 13.339 -0.554 6.957 37 H CYS 8 H CYS 8 7.148 0.541 4.260 38 HA CYS 8 HA CYS 8 5.364 1.917 5.925 39 HB2 CYS 8 HB2 CYS 8 4.869 3.117 4.132 40 HB3 CYS 8 HB3 CYS 8 6.412 2.405 3.648 41 H GLY 9 H GLY 9 4.644 -1.255 5.889 42 HA2 GLY 9 HA2 GLY 9 2.779 -2.345 6.219 43 HA3 GLY 9 HA3 GLY 9 1.871 -0.835 6.112 44 H CYS 10 H CYS 10 4.104 -1.779 3.516 45 HA CYS 10 HA CYS 10 1.806 -2.712 2.020 46 HB2 CYS 10 HB2 CYS 10 3.799 -0.645 1.103 47 HB3 CYS 10 HB3 CYS 10 2.664 -1.418 0.007 48 H ALA 11 H ALA 11 2.272 -4.050 0.156 49 HA ALA 11 HA ALA 11 4.568 -5.677 0.546 50 HB1 ALA 11 HB1 ALA 11 2.364 -6.492 -0.379 51 HB2 ALA 11 HB2 ALA 11 2.707 -5.564 -1.867 52 HB3 ALA 11 HB3 ALA 11 3.744 -6.911 -1.394 53 H VAL 12 H VAL 12 6.038 -6.172 -1.460 54 HA VAL 12 HA VAL 12 6.860 -3.620 -2.734 55 HB VAL 12 HB VAL 12 8.706 -5.870 -1.914 56 HG11 VAL 12 HG11 VAL 12 10.417 -4.110 -2.151 57 HG12 VAL 12 HG12 VAL 12 9.517 -4.297 -3.653 58 HG13 VAL 12 HG13 VAL 12 9.172 -2.918 -2.588 59 HG21 VAL 12 HG21 VAL 12 8.170 -3.326 -0.356 60 HG22 VAL 12 HG22 VAL 12 7.680 -4.953 0.169 61 HG23 VAL 12 HG23 VAL 12 9.379 -4.600 -0.010 62 HA PRO 13 HA PRO 13 7.052 -2.747 -4.629 63 HB2 PRO 13 HB2 PRO 13 5.856 -2.247 -6.987 64 HB3 PRO 13 HB3 PRO 13 7.525 -2.886 -6.912 65 HG2 PRO 13 HG2 PRO 13 4.962 -4.457 -7.372 66 HG3 PRO 13 HG3 PRO 13 6.488 -4.515 -8.312 67 HD2 PRO 13 HD2 PRO 13 5.893 -6.297 -6.285 68 HD3 PRO 13 HD3 PRO 13 7.568 -5.782 -6.644 69 H CYS 14 H CYS 14 5.232 -1.143 -4.417 70 HA CYS 14 HA CYS 14 2.953 -2.401 -3.149 71 HB2 CYS 14 HB2 CYS 14 4.035 -0.197 -2.510 72 HB3 CYS 14 HB3 CYS 14 3.206 0.533 -3.862 73 HA PRO 15 HA PRO 15 0.540 -2.653 -6.930 74 HB2 PRO 15 HB2 PRO 15 -1.928 -3.272 -5.972 75 HB3 PRO 15 HB3 PRO 15 -0.555 -4.408 -5.824 76 HG2 PRO 15 HG2 PRO 15 -1.512 -2.395 -3.744 77 HG3 PRO 15 HG3 PRO 15 -1.281 -4.141 -3.515 78 HD2 PRO 15 HD2 PRO 15 0.675 -2.445 -2.851 79 HD3 PRO 15 HD3 PRO 15 1.101 -3.950 -3.702 80 H GLY 16 H GLY 16 -0.346 -0.505 -4.275 81 HA2 GLY 16 HA2 GLY 16 -0.714 1.848 -4.653 82 HA3 GLY 16 HA3 GLY 16 -1.407 1.476 -6.225 83 H GLY 17 H GLY 17 -3.390 -0.316 -5.910 84 HA2 GLY 17 HA2 GLY 17 -5.336 1.071 -4.240 85 HA3 GLY 17 HA3 GLY 17 -5.594 -0.180 -5.458 86 H THR 18 H THR 18 -6.324 -1.976 -4.791 87 HA THR 18 HA THR 18 -7.318 -2.895 -2.659 88 HB THR 18 HB THR 18 -6.776 -5.223 -3.321 89 HG1 THR 18 HG1 THR 18 -5.496 -4.664 -5.604 90 HG21 THR 18 HG21 THR 18 -8.576 -3.983 -4.455 91 HG22 THR 18 HG22 THR 18 -7.782 -5.118 -5.541 92 HG23 THR 18 HG23 THR 18 -7.433 -3.385 -5.669 93 H GLY 19 H GLY 19 -3.964 -4.049 -3.026 94 HA2 GLY 19 HA2 GLY 19 -3.792 -4.865 -0.264 95 HA3 GLY 19 HA3 GLY 19 -2.506 -4.910 -1.456 96 H CYS 20 H CYS 20 -3.379 -1.651 -1.528 97 HA CYS 20 HA CYS 20 -1.059 -1.069 0.148 98 HB2 CYS 20 HB2 CYS 20 -1.574 0.247 -1.921 99 HB3 CYS 20 HB3 CYS 20 -2.981 0.899 -1.088 100 H ARG 21 H ARG 21 -1.763 -1.786 2.314 101 HA ARG 21 HA ARG 21 -4.136 -1.034 3.583 102 HB2 ARG 21 HB2 ARG 21 -1.383 -1.490 4.793 103 HB3 ARG 21 HB3 ARG 21 -2.810 -1.164 5.753 104 HG2 ARG 21 HG2 ARG 21 -2.441 -3.495 5.747 105 HG3 ARG 21 HG3 ARG 21 -3.947 -3.160 4.888 106 HD2 ARG 21 HD2 ARG 21 -2.887 -3.621 2.754 107 HD3 ARG 21 HD3 ARG 21 -1.290 -3.716 3.500 108 HE ARG 21 HE ARG 21 -1.740 -5.821 4.309 109 HH11 ARG 21 HH11 ARG 21 -4.769 -4.622 2.807 110 HH12 ARG 21 HH12 ARG 21 -5.595 -6.128 3.084 111 HH21 ARG 21 HH21 ARG 21 -2.820 -7.740 4.590 112 HH22 ARG 21 HH22 ARG 21 -4.481 -7.903 4.106 113 H CYS 22 H CYS 22 -1.481 1.050 2.879 114 HA CYS 22 HA CYS 22 -2.014 3.142 4.776 115 HB2 CYS 22 HB2 CYS 22 -0.879 3.495 2.009 116 HB3 CYS 22 HB3 CYS 22 -0.670 4.583 3.365 117 H THR 23 H THR 23 -4.329 2.156 2.551 118 HA THR 23 HA THR 23 -5.392 4.858 2.398 119 HB THR 23 HB THR 23 -4.016 4.192 0.272 120 HG1 THR 23 HG1 THR 23 -5.713 5.939 0.595 121 HG21 THR 23 HG21 THR 23 -6.638 2.824 -0.461 122 HG22 THR 23 HG22 THR 23 -5.110 1.981 -0.143 123 HG23 THR 23 HG23 THR 23 -5.233 3.090 -1.513 124 H SER 24 H SER 24 -7.650 4.856 2.563 125 HA SER 24 HA SER 24 -8.733 2.518 3.805 126 HB2 SER 24 HB2 SER 24 -10.188 4.955 2.776 127 HB3 SER 24 HB3 SER 24 -10.756 3.785 3.986 128 HG SER 24 HG SER 24 -9.237 4.529 5.441 129 H ALA 25 H ALA 25 -9.809 0.836 2.841 130 HA ALA 25 HA ALA 25 -10.797 1.030 0.066 131 HB1 ALA 25 HB1 ALA 25 -9.776 -1.175 -0.410 132 HB2 ALA 25 HB2 ALA 25 -8.538 0.053 -0.084 133 HB3 ALA 25 HB3 ALA 25 -8.967 -1.153 1.165 134 H ARG 26 H ARG 26 -12.270 -0.928 -0.371 135 HA ARG 26 HA ARG 26 -13.357 -2.617 1.515 136 HB2 ARG 26 HB2 ARG 26 -15.548 -1.469 1.942 137 HB3 ARG 26 HB3 ARG 26 -14.234 -0.713 2.794 138 HG2 ARG 26 HG2 ARG 26 -14.090 1.060 1.054 139 HG3 ARG 26 HG3 ARG 26 -15.394 0.282 0.150 140 HD2 ARG 26 HD2 ARG 26 -16.976 0.723 1.920 141 HD3 ARG 26 HD3 ARG 26 -15.673 1.215 3.017 142 HE ARG 26 HE ARG 26 -16.208 2.664 0.479 143 HH11 ARG 26 HH11 ARG 26 -16.066 2.784 4.062 144 HH12 ARG 26 HH12 ARG 26 -16.373 4.487 4.117 145 HH21 ARG 26 HH21 ARG 26 -16.064 4.896 0.591 146 HH22 ARG 26 HH22 ARG 26 -16.147 5.775 2.093 Start of MODEL 24 1 H1 GLY 1 H GLY 1 11.086 3.010 -6.930 2 HA2 GLY 1 HA2 GLY 1 9.650 3.874 -8.698 3 HA3 GLY 1 HA3 GLY 1 8.512 2.573 -8.333 4 H SER 2 H SER 2 8.907 5.794 -7.977 5 HA SER 2 HA SER 2 8.614 6.588 -5.415 6 HB2 SER 2 HB2 SER 2 7.240 7.646 -7.920 7 HB3 SER 2 HB3 SER 2 7.393 8.540 -6.401 8 HG SER 2 HG SER 2 9.060 8.657 -8.268 9 H GLY 3 H GLY 3 7.110 6.911 -3.938 10 HA2 GLY 3 HA2 GLY 3 4.693 7.243 -3.434 11 HA3 GLY 3 HA3 GLY 3 4.388 5.779 -4.354 12 H CYS 4 H CYS 4 3.913 4.235 -2.991 13 HA CYS 4 HA CYS 4 4.534 4.070 -0.205 14 HB2 CYS 4 HB2 CYS 4 3.654 2.138 -2.346 15 HB3 CYS 4 HB3 CYS 4 4.237 1.452 -0.849 16 H ASP 5 H ASP 5 6.289 3.416 0.962 17 HA ASP 5 HA ASP 5 8.687 2.688 -0.453 18 HB2 ASP 5 HB2 ASP 5 8.107 4.231 1.733 19 HB3 ASP 5 HB3 ASP 5 8.373 2.689 2.557 20 H ASP 6 H ASP 6 9.914 0.765 1.120 21 HA ASP 6 HA ASP 6 8.194 -1.572 0.660 22 HB2 ASP 6 HB2 ASP 6 10.080 -2.901 1.197 23 HB3 ASP 6 HB3 ASP 6 10.626 -1.596 0.130 24 H LYS 7 H LYS 7 9.410 0.334 3.382 25 HA LYS 7 HA LYS 7 8.567 -1.548 5.409 26 HB2 LYS 7 HB2 LYS 7 9.234 0.130 6.985 27 HB3 LYS 7 HB3 LYS 7 10.421 0.034 5.683 28 HG2 LYS 7 HG2 LYS 7 9.398 2.081 4.655 29 HG3 LYS 7 HG3 LYS 7 8.326 2.206 6.050 30 HD2 LYS 7 HD2 LYS 7 11.373 2.342 6.133 31 HD3 LYS 7 HD3 LYS 7 10.284 3.733 6.146 32 HE2 LYS 7 HE2 LYS 7 9.273 2.819 8.295 33 HE3 LYS 7 HE3 LYS 7 10.542 1.587 8.282 34 HZ1 LYS 7 HZ1 LYS 7 10.959 4.516 8.534 35 HZ2 LYS 7 HZ2 LYS 7 12.173 3.404 8.375 36 HZ3 LYS 7 HZ3 LYS 7 11.173 3.380 9.678 37 H CYS 8 H CYS 8 6.895 0.846 3.677 38 HA CYS 8 HA CYS 8 4.963 1.603 5.554 39 HB2 CYS 8 HB2 CYS 8 3.950 2.804 3.952 40 HB3 CYS 8 HB3 CYS 8 5.665 2.780 3.498 41 H GLY 9 H GLY 9 4.824 -1.605 5.125 42 HA2 GLY 9 HA2 GLY 9 3.180 -2.964 5.580 43 HA3 GLY 9 HA3 GLY 9 2.022 -1.635 5.520 44 H CYS 10 H CYS 10 4.005 -1.844 2.722 45 HA CYS 10 HA CYS 10 1.889 -3.393 1.466 46 HB2 CYS 10 HB2 CYS 10 3.456 -1.184 0.071 47 HB3 CYS 10 HB3 CYS 10 2.220 -2.185 -0.662 48 H ALA 11 H ALA 11 2.295 -4.612 -0.422 49 HA ALA 11 HA ALA 11 4.786 -5.985 -0.513 50 HB1 ALA 11 HB1 ALA 11 2.589 -5.678 -2.640 51 HB2 ALA 11 HB2 ALA 11 3.850 -6.912 -2.649 52 HB3 ALA 11 HB3 ALA 11 2.625 -6.919 -1.369 53 H VAL 12 H VAL 12 6.299 -5.936 -2.475 54 HA VAL 12 HA VAL 12 6.571 -3.201 -3.615 55 HB VAL 12 HB VAL 12 8.770 -5.028 -2.630 56 HG11 VAL 12 HG11 VAL 12 8.852 -2.149 -3.659 57 HG12 VAL 12 HG12 VAL 12 10.222 -3.057 -2.991 58 HG13 VAL 12 HG13 VAL 12 9.493 -3.578 -4.499 59 HG21 VAL 12 HG21 VAL 12 7.663 -2.443 -1.436 60 HG22 VAL 12 HG22 VAL 12 7.548 -4.069 -0.710 61 HG23 VAL 12 HG23 VAL 12 9.123 -3.310 -0.901 62 HA PRO 13 HA PRO 13 7.110 -2.213 -5.505 63 HB2 PRO 13 HB2 PRO 13 5.893 -1.757 -7.900 64 HB3 PRO 13 HB3 PRO 13 7.636 -2.161 -7.773 65 HG2 PRO 13 HG2 PRO 13 5.345 -3.966 -8.532 66 HG3 PRO 13 HG3 PRO 13 6.992 -3.895 -9.226 67 HD2 PRO 13 HD2 PRO 13 6.150 -5.726 -7.282 68 HD3 PRO 13 HD3 PRO 13 7.841 -5.267 -7.556 69 H CYS 14 H CYS 14 5.122 -0.873 -5.025 70 HA CYS 14 HA CYS 14 3.091 -2.601 -3.935 71 HB2 CYS 14 HB2 CYS 14 3.736 -0.483 -2.910 72 HB3 CYS 14 HB3 CYS 14 2.962 0.388 -4.252 73 HA PRO 15 HA PRO 15 0.592 -2.906 -7.621 74 HB2 PRO 15 HB2 PRO 15 -1.675 -4.073 -6.514 75 HB3 PRO 15 HB3 PRO 15 -0.176 -4.956 -6.961 76 HG2 PRO 15 HG2 PRO 15 -1.076 -3.930 -4.291 77 HG3 PRO 15 HG3 PRO 15 -0.299 -5.507 -4.684 78 HD2 PRO 15 HD2 PRO 15 1.084 -3.424 -3.613 79 HD3 PRO 15 HD3 PRO 15 1.825 -4.529 -4.805 80 H GLY 16 H GLY 16 -0.928 -1.602 -4.605 81 HA2 GLY 16 HA2 GLY 16 -1.735 0.725 -4.703 82 HA3 GLY 16 HA3 GLY 16 -2.401 0.403 -6.291 83 H GLY 17 H GLY 17 -3.664 -2.131 -5.819 84 HA2 GLY 17 HA2 GLY 17 -6.037 -1.254 -4.361 85 HA3 GLY 17 HA3 GLY 17 -5.791 -2.717 -5.323 86 H THR 18 H THR 18 -6.074 -4.503 -4.337 87 HA THR 18 HA THR 18 -6.385 -4.953 -1.695 88 HB THR 18 HB THR 18 -5.233 -6.986 -3.643 89 HG1 THR 18 HG1 THR 18 -7.798 -7.056 -3.836 90 HG21 THR 18 HG21 THR 18 -6.777 -8.522 -2.522 91 HG22 THR 18 HG22 THR 18 -7.377 -7.211 -1.485 92 HG23 THR 18 HG23 THR 18 -5.701 -7.771 -1.336 93 H GLY 19 H GLY 19 -3.258 -5.021 -3.469 94 HA2 GLY 19 HA2 GLY 19 -1.782 -5.849 -1.095 95 HA3 GLY 19 HA3 GLY 19 -1.087 -5.409 -2.629 96 H CYS 20 H CYS 20 -3.396 -3.128 -1.237 97 HA CYS 20 HA CYS 20 -1.154 -1.565 -0.093 98 HB2 CYS 20 HB2 CYS 20 -1.903 -0.763 -2.373 99 HB3 CYS 20 HB3 CYS 20 -3.416 -0.295 -1.575 100 H ARG 21 H ARG 21 -2.011 -2.611 1.985 101 HA ARG 21 HA ARG 21 -4.421 -1.770 3.212 102 HB2 ARG 21 HB2 ARG 21 -1.711 -2.717 4.244 103 HB3 ARG 21 HB3 ARG 21 -3.023 -2.429 5.350 104 HG2 ARG 21 HG2 ARG 21 -3.245 -4.378 3.048 105 HG3 ARG 21 HG3 ARG 21 -2.694 -4.821 4.657 106 HD2 ARG 21 HD2 ARG 21 -5.405 -3.562 4.094 107 HD3 ARG 21 HD3 ARG 21 -5.129 -5.291 4.174 108 HE ARG 21 HE ARG 21 -4.983 -3.323 6.392 109 HH11 ARG 21 HH11 ARG 21 -5.040 -6.808 5.442 110 HH12 ARG 21 HH12 ARG 21 -5.548 -7.279 7.024 111 HH21 ARG 21 HH21 ARG 21 -5.392 -4.148 8.541 112 HH22 ARG 21 HH22 ARG 21 -5.766 -5.822 8.729 113 H CYS 22 H CYS 22 -2.598 0.538 2.171 114 HA CYS 22 HA CYS 22 -2.150 2.197 4.616 115 HB2 CYS 22 HB2 CYS 22 -1.386 2.421 1.703 116 HB3 CYS 22 HB3 CYS 22 -1.235 3.796 2.776 117 H THR 23 H THR 23 -4.651 1.989 2.080 118 HA THR 23 HA THR 23 -5.295 4.838 2.680 119 HB THR 23 HB THR 23 -4.562 4.317 0.357 120 HG1 THR 23 HG1 THR 23 -5.690 6.127 0.628 121 HG21 THR 23 HG21 THR 23 -6.117 3.278 -1.200 122 HG22 THR 23 HG22 THR 23 -7.247 2.897 0.109 123 HG23 THR 23 HG23 THR 23 -5.657 2.106 0.044 124 H SER 24 H SER 24 -7.506 5.412 2.588 125 HA SER 24 HA SER 24 -9.274 3.385 3.851 126 HB2 SER 24 HB2 SER 24 -8.662 5.204 5.410 127 HB3 SER 24 HB3 SER 24 -9.224 6.401 4.226 128 HG SER 24 HG SER 24 -10.959 6.105 5.463 129 H ALA 25 H ALA 25 -10.428 2.675 2.244 130 HA ALA 25 HA ALA 25 -12.052 4.396 0.505 131 HB1 ALA 25 HB1 ALA 25 -10.147 3.742 -0.905 132 HB2 ALA 25 HB2 ALA 25 -10.298 2.051 -0.388 133 HB3 ALA 25 HB3 ALA 25 -11.577 2.804 -1.371 134 H ARG 26 H ARG 26 -13.871 2.674 -0.366 135 HA ARG 26 HA ARG 26 -14.424 0.912 1.982 136 HB2 ARG 26 HB2 ARG 26 -16.014 2.812 1.658 137 HB3 ARG 26 HB3 ARG 26 -16.485 2.113 0.118 138 HG2 ARG 26 HG2 ARG 26 -18.076 1.493 1.869 139 HG3 ARG 26 HG3 ARG 26 -17.239 0.040 1.307 140 HD2 ARG 26 HD2 ARG 26 -15.758 0.111 3.288 141 HD3 ARG 26 HD3 ARG 26 -16.493 1.624 3.822 142 HE ARG 26 HE ARG 26 -17.462 -1.111 4.063 143 HH11 ARG 26 HH11 ARG 26 -18.468 2.333 4.326 144 HH12 ARG 26 HH12 ARG 26 -19.871 1.910 5.280 145 HH21 ARG 26 HH21 ARG 26 -19.340 -1.551 5.284 146 HH22 ARG 26 HH22 ARG 26 -20.357 -0.269 5.809 Start of MODEL 25 1 H1 GLY 1 H GLY 1 5.269 12.146 -2.132 2 HA2 GLY 1 HA2 GLY 1 3.645 13.581 -4.164 3 HA3 GLY 1 HA3 GLY 1 5.141 12.706 -4.528 4 H SER 2 H SER 2 5.045 10.512 -4.934 5 HA SER 2 HA SER 2 2.806 8.941 -3.933 6 HB2 SER 2 HB2 SER 2 3.247 9.624 -6.850 7 HB3 SER 2 HB3 SER 2 2.458 8.104 -6.370 8 HG SER 2 HG SER 2 1.605 10.400 -5.033 9 H GLY 3 H GLY 3 3.212 6.585 -5.076 10 HA2 GLY 3 HA2 GLY 3 4.865 4.979 -5.585 11 HA3 GLY 3 HA3 GLY 3 6.091 5.965 -4.795 12 H CYS 4 H CYS 4 6.266 3.567 -3.849 13 HA CYS 4 HA CYS 4 5.195 3.696 -1.138 14 HB2 CYS 4 HB2 CYS 4 4.298 1.683 -3.219 15 HB3 CYS 4 HB3 CYS 4 4.521 1.132 -1.572 16 H ASP 5 H ASP 5 6.562 2.852 0.269 17 HA ASP 5 HA ASP 5 8.982 1.447 -0.620 18 HB2 ASP 5 HB2 ASP 5 8.180 3.326 1.571 19 HB3 ASP 5 HB3 ASP 5 9.269 2.051 2.050 20 H ASP 6 H ASP 6 9.755 -0.119 1.025 21 HA ASP 6 HA ASP 6 8.054 -2.338 1.243 22 HB2 ASP 6 HB2 ASP 6 9.992 -3.352 2.292 23 HB3 ASP 6 HB3 ASP 6 10.557 -2.303 0.984 24 H LYS 7 H LYS 7 8.937 0.156 3.653 25 HA LYS 7 HA LYS 7 7.648 -1.345 5.847 26 HB2 LYS 7 HB2 LYS 7 8.658 1.529 5.744 27 HB3 LYS 7 HB3 LYS 7 8.239 0.621 7.183 28 HG2 LYS 7 HG2 LYS 7 10.605 0.109 5.363 29 HG3 LYS 7 HG3 LYS 7 10.629 0.819 6.977 30 HD2 LYS 7 HD2 LYS 7 9.625 -1.379 7.824 31 HD3 LYS 7 HD3 LYS 7 9.975 -2.056 6.232 32 HE2 LYS 7 HE2 LYS 7 12.017 -0.884 8.187 33 HE3 LYS 7 HE3 LYS 7 11.725 -2.600 7.880 34 HZ1 LYS 7 HZ1 LYS 7 13.572 -2.011 6.613 35 HZ2 LYS 7 HZ2 LYS 7 12.902 -0.639 6.028 36 HZ3 LYS 7 HZ3 LYS 7 12.342 -2.082 5.505 37 H CYS 8 H CYS 8 6.608 0.851 3.445 38 HA CYS 8 HA CYS 8 4.590 2.268 4.840 39 HB2 CYS 8 HB2 CYS 8 4.739 3.525 3.070 40 HB3 CYS 8 HB3 CYS 8 6.050 2.434 2.586 41 H GLY 9 H GLY 9 3.955 -0.668 5.158 42 HA2 GLY 9 HA2 GLY 9 2.049 -1.873 5.240 43 HA3 GLY 9 HA3 GLY 9 1.142 -0.435 4.697 44 H CYS 10 H CYS 10 3.996 -1.710 2.959 45 HA CYS 10 HA CYS 10 2.162 -2.888 1.044 46 HB2 CYS 10 HB2 CYS 10 4.247 -0.785 0.314 47 HB3 CYS 10 HB3 CYS 10 3.322 -1.747 -0.829 48 H ALA 11 H ALA 11 2.828 -4.318 -0.354 49 HA ALA 11 HA ALA 11 5.081 -5.948 0.231 50 HB1 ALA 11 HB1 ALA 11 2.982 -6.811 -0.786 51 HB2 ALA 11 HB2 ALA 11 3.261 -5.800 -2.223 52 HB3 ALA 11 HB3 ALA 11 4.367 -7.122 -1.852 53 H VAL 12 H VAL 12 6.723 -6.455 -1.576 54 HA VAL 12 HA VAL 12 7.591 -4.013 -3.040 55 HB VAL 12 HB VAL 12 9.281 -5.984 -1.459 56 HG11 VAL 12 HG11 VAL 12 10.116 -3.522 -3.070 57 HG12 VAL 12 HG12 VAL 12 11.177 -4.513 -2.045 58 HG13 VAL 12 HG13 VAL 12 10.472 -5.232 -3.492 59 HG21 VAL 12 HG21 VAL 12 9.865 -4.087 -0.086 60 HG22 VAL 12 HG22 VAL 12 8.814 -2.999 -1.027 61 HG23 VAL 12 HG23 VAL 12 8.120 -4.296 -0.038 62 HA PRO 13 HA PRO 13 7.411 -3.511 -5.084 63 HB2 PRO 13 HB2 PRO 13 5.969 -3.736 -7.369 64 HB3 PRO 13 HB3 PRO 13 7.735 -4.016 -7.345 65 HG2 PRO 13 HG2 PRO 13 5.537 -6.095 -7.187 66 HG3 PRO 13 HG3 PRO 13 6.949 -6.077 -8.286 67 HD2 PRO 13 HD2 PRO 13 6.976 -7.487 -5.952 68 HD3 PRO 13 HD3 PRO 13 8.435 -6.673 -6.570 69 H CYS 14 H CYS 14 5.356 -2.243 -5.071 70 HA CYS 14 HA CYS 14 3.314 -3.627 -3.476 71 HB2 CYS 14 HB2 CYS 14 4.058 -1.392 -2.844 72 HB3 CYS 14 HB3 CYS 14 3.540 -0.774 -4.409 73 HA PRO 15 HA PRO 15 1.213 -4.434 -7.406 74 HB2 PRO 15 HB2 PRO 15 -1.083 -5.655 -6.410 75 HB3 PRO 15 HB3 PRO 15 0.512 -6.452 -6.596 76 HG2 PRO 15 HG2 PRO 15 -0.702 -5.196 -4.128 77 HG3 PRO 15 HG3 PRO 15 0.109 -6.791 -4.277 78 HD2 PRO 15 HD2 PRO 15 1.424 -4.620 -3.342 79 HD3 PRO 15 HD3 PRO 15 2.240 -5.794 -4.414 80 H GLY 16 H GLY 16 -0.303 -2.617 -4.772 81 HA2 GLY 16 HA2 GLY 16 -1.567 -0.610 -5.061 82 HA3 GLY 16 HA3 GLY 16 -1.821 -1.013 -6.761 83 H GLY 17 H GLY 17 -2.506 -3.892 -5.682 84 HA2 GLY 17 HA2 GLY 17 -5.378 -3.501 -5.464 85 HA3 GLY 17 HA3 GLY 17 -4.482 -5.040 -5.557 86 H THR 18 H THR 18 -5.764 -5.934 -3.746 87 HA THR 18 HA THR 18 -6.092 -4.772 -1.302 88 HB THR 18 HB THR 18 -5.467 -7.720 -1.714 89 HG1 THR 18 HG1 THR 18 -7.688 -7.836 -2.327 90 HG21 THR 18 HG21 THR 18 -7.308 -6.166 0.169 91 HG22 THR 18 HG22 THR 18 -5.880 -7.134 0.616 92 HG23 THR 18 HG23 THR 18 -7.332 -7.931 -0.016 93 H GLY 19 H GLY 19 -3.128 -6.200 -2.608 94 HA2 GLY 19 HA2 GLY 19 -1.563 -6.385 -0.274 95 HA3 GLY 19 HA3 GLY 19 -0.936 -6.177 -1.909 96 H CYS 20 H CYS 20 -2.879 -3.445 -1.536 97 HA CYS 20 HA CYS 20 -0.592 -1.890 -0.355 98 HB2 CYS 20 HB2 CYS 20 -1.299 -1.334 -2.761 99 HB3 CYS 20 HB3 CYS 20 -2.821 -0.795 -2.056 100 H ARG 21 H ARG 21 -0.962 -1.568 1.794 101 HA ARG 21 HA ARG 21 -3.718 -0.997 2.702 102 HB2 ARG 21 HB2 ARG 21 -1.251 -2.165 4.058 103 HB3 ARG 21 HB3 ARG 21 -2.611 -1.527 4.970 104 HG2 ARG 21 HG2 ARG 21 -2.959 -3.678 2.843 105 HG3 ARG 21 HG3 ARG 21 -2.601 -4.053 4.533 106 HD2 ARG 21 HD2 ARG 21 -4.669 -3.188 5.321 107 HD3 ARG 21 HD3 ARG 21 -4.955 -2.273 3.846 108 HE ARG 21 HE ARG 21 -5.833 -4.019 2.792 109 HH11 ARG 21 HH11 ARG 21 -4.247 -5.322 5.729 110 HH12 ARG 21 HH12 ARG 21 -4.890 -6.914 5.488 111 HH21 ARG 21 HH21 ARG 21 -6.802 -6.185 2.658 112 HH22 ARG 21 HH22 ARG 21 -6.290 -7.386 3.795 113 H CYS 22 H CYS 22 -3.499 0.927 1.718 114 HA CYS 22 HA CYS 22 -2.191 2.988 3.410 115 HB2 CYS 22 HB2 CYS 22 -1.774 3.143 0.417 116 HB3 CYS 22 HB3 CYS 22 -1.247 4.300 1.634 117 H THR 23 H THR 23 -3.796 3.045 0.164 118 HA THR 23 HA THR 23 -5.081 5.490 0.600 119 HB THR 23 HB THR 23 -4.420 4.469 -1.563 120 HG1 THR 23 HG1 THR 23 -6.375 5.128 -2.635 121 HG21 THR 23 HG21 THR 23 -5.895 2.892 -2.691 122 HG22 THR 23 HG22 THR 23 -6.926 2.775 -1.268 123 HG23 THR 23 HG23 THR 23 -5.262 2.162 -1.215 124 H SER 24 H SER 24 -7.314 5.975 0.804 125 HA SER 24 HA SER 24 -8.608 4.722 2.948 126 HB2 SER 24 HB2 SER 24 -9.928 6.342 0.725 127 HB3 SER 24 HB3 SER 24 -10.482 6.151 2.396 128 HG SER 24 HG SER 24 -8.279 7.098 2.899 129 H ALA 25 H ALA 25 -10.398 3.328 3.073 130 HA ALA 25 HA ALA 25 -11.250 1.954 0.608 131 HB1 ALA 25 HB1 ALA 25 -10.281 0.531 3.129 132 HB2 ALA 25 HB2 ALA 25 -10.935 -0.230 1.666 133 HB3 ALA 25 HB3 ALA 25 -9.389 0.633 1.594 134 H ARG 26 H ARG 26 -13.085 0.366 1.313 135 HA ARG 26 HA ARG 26 -14.728 1.249 3.513 136 HB2 ARG 26 HB2 ARG 26 -15.058 2.688 1.153 137 HB3 ARG 26 HB3 ARG 26 -16.107 1.322 0.841 138 HG2 ARG 26 HG2 ARG 26 -17.489 2.943 1.790 139 HG3 ARG 26 HG3 ARG 26 -17.203 1.815 3.118 140 HD2 ARG 26 HD2 ARG 26 -15.460 3.360 4.009 141 HD3 ARG 26 HD3 ARG 26 -15.746 4.450 2.641 142 HE ARG 26 HE ARG 26 -18.194 3.865 4.030 143 HH11 ARG 26 HH11 ARG 26 -15.251 5.802 4.506 144 HH12 ARG 26 HH12 ARG 26 -16.096 7.144 5.195 145 HH21 ARG 26 HH21 ARG 26 -19.242 5.415 5.148 146 HH22 ARG 26 HH22 ARG 26 -18.439 6.808 5.808 Start of MODEL 26 1 H1 GLY 1 H GLY 1 2.045 6.979 -11.686 2 HA2 GLY 1 HA2 GLY 1 0.247 5.396 -9.944 3 HA3 GLY 1 HA3 GLY 1 1.909 4.945 -10.365 4 H SER 2 H SER 2 0.034 6.251 -7.961 5 HA SER 2 HA SER 2 1.307 8.401 -6.880 6 HB2 SER 2 HB2 SER 2 -0.869 7.354 -6.215 7 HB3 SER 2 HB3 SER 2 0.033 6.103 -5.338 8 HG SER 2 HG SER 2 -0.235 7.553 -3.793 9 H GLY 3 H GLY 3 1.895 5.216 -5.252 10 HA2 GLY 3 HA2 GLY 3 4.393 4.597 -5.261 11 HA3 GLY 3 HA3 GLY 3 4.589 6.139 -4.423 12 H CYS 4 H CYS 4 5.313 3.721 -3.183 13 HA CYS 4 HA CYS 4 3.655 3.714 -0.782 14 HB2 CYS 4 HB2 CYS 4 3.942 1.318 -2.611 15 HB3 CYS 4 HB3 CYS 4 3.600 1.140 -0.900 16 H ASP 5 H ASP 5 4.664 2.105 0.909 17 HA ASP 5 HA ASP 5 7.510 1.667 0.672 18 HB2 ASP 5 HB2 ASP 5 6.312 2.863 3.156 19 HB3 ASP 5 HB3 ASP 5 7.973 2.917 2.586 20 H ASP 6 H ASP 6 7.962 0.166 2.681 21 HA ASP 6 HA ASP 6 5.983 -1.927 2.711 22 HB2 ASP 6 HB2 ASP 6 8.370 -2.382 3.062 23 HB3 ASP 6 HB3 ASP 6 8.324 -1.503 4.590 24 H LYS 7 H LYS 7 6.959 0.537 5.057 25 HA LYS 7 HA LYS 7 5.353 -0.141 7.256 26 HB2 LYS 7 HB2 LYS 7 6.258 2.568 6.254 27 HB3 LYS 7 HB3 LYS 7 5.564 2.329 7.839 28 HG2 LYS 7 HG2 LYS 7 8.061 0.818 6.978 29 HG3 LYS 7 HG3 LYS 7 8.169 2.465 7.536 30 HD2 LYS 7 HD2 LYS 7 6.882 0.236 9.161 31 HD3 LYS 7 HD3 LYS 7 8.571 0.708 9.315 32 HE2 LYS 7 HE2 LYS 7 6.174 2.522 9.862 33 HE3 LYS 7 HE3 LYS 7 7.149 1.697 11.075 34 HZ1 LYS 7 HZ1 LYS 7 7.921 3.919 10.876 35 HZ2 LYS 7 HZ2 LYS 7 8.089 3.826 9.249 36 HZ3 LYS 7 HZ3 LYS 7 9.076 2.956 10.250 37 H CYS 8 H CYS 8 4.408 1.341 4.201 38 HA CYS 8 HA CYS 8 2.009 2.542 5.253 39 HB2 CYS 8 HB2 CYS 8 1.560 3.203 3.168 40 HB3 CYS 8 HB3 CYS 8 3.318 2.984 3.045 41 H GLY 9 H GLY 9 2.876 -0.764 4.520 42 HA2 GLY 9 HA2 GLY 9 1.461 -2.544 5.189 43 HA3 GLY 9 HA3 GLY 9 0.024 -1.605 4.774 44 H CYS 10 H CYS 10 2.836 -1.658 2.527 45 HA CYS 10 HA CYS 10 1.288 -3.520 0.771 46 HB2 CYS 10 HB2 CYS 10 2.932 -1.278 -0.355 47 HB3 CYS 10 HB3 CYS 10 1.868 -2.501 -1.093 48 H ALA 11 H ALA 11 2.575 -4.858 -0.526 49 HA ALA 11 HA ALA 11 4.874 -5.935 0.504 50 HB1 ALA 11 HB1 ALA 11 4.037 -5.892 -2.440 51 HB2 ALA 11 HB2 ALA 11 5.065 -7.105 -1.652 52 HB3 ALA 11 HB3 ALA 11 3.364 -6.964 -1.210 53 H VAL 12 H VAL 12 6.984 -6.259 -0.651 54 HA VAL 12 HA VAL 12 8.139 -3.724 -1.618 55 HB VAL 12 HB VAL 12 9.400 -5.830 0.164 56 HG11 VAL 12 HG11 VAL 12 11.107 -4.822 -1.258 57 HG12 VAL 12 HG12 VAL 12 10.474 -3.191 -0.960 58 HG13 VAL 12 HG13 VAL 12 11.242 -4.119 0.345 59 HG21 VAL 12 HG21 VAL 12 9.402 -4.037 1.859 60 HG22 VAL 12 HG22 VAL 12 8.433 -3.001 0.777 61 HG23 VAL 12 HG23 VAL 12 7.774 -4.516 1.427 62 HA PRO 13 HA PRO 13 8.310 -2.999 -3.482 63 HB2 PRO 13 HB2 PRO 13 7.932 -2.862 -6.129 64 HB3 PRO 13 HB3 PRO 13 9.576 -3.029 -5.437 65 HG2 PRO 13 HG2 PRO 13 7.812 -5.212 -6.577 66 HG3 PRO 13 HG3 PRO 13 9.538 -4.882 -6.932 67 HD2 PRO 13 HD2 PRO 13 8.674 -6.748 -5.071 68 HD3 PRO 13 HD3 PRO 13 10.232 -5.875 -4.940 69 H CYS 14 H CYS 14 6.168 -2.059 -4.136 70 HA CYS 14 HA CYS 14 3.996 -3.951 -3.554 71 HB2 CYS 14 HB2 CYS 14 4.038 -1.733 -2.563 72 HB3 CYS 14 HB3 CYS 14 4.040 -1.000 -4.164 73 HA PRO 15 HA PRO 15 3.453 -4.679 -7.975 74 HB2 PRO 15 HB2 PRO 15 0.950 -5.817 -8.026 75 HB3 PRO 15 HB3 PRO 15 2.440 -6.683 -7.546 76 HG2 PRO 15 HG2 PRO 15 0.347 -5.430 -5.751 77 HG3 PRO 15 HG3 PRO 15 1.164 -7.012 -5.578 78 HD2 PRO 15 HD2 PRO 15 1.957 -4.798 -4.186 79 HD3 PRO 15 HD3 PRO 15 3.128 -6.017 -4.749 80 H GLY 16 H GLY 16 0.713 -3.306 -6.146 81 HA2 GLY 16 HA2 GLY 16 0.075 -0.989 -6.489 82 HA3 GLY 16 HA3 GLY 16 0.490 -1.128 -8.182 83 H GLY 17 H GLY 17 -0.998 -3.840 -8.348 84 HA2 GLY 17 HA2 GLY 17 -3.572 -2.712 -9.005 85 HA3 GLY 17 HA3 GLY 17 -2.979 -4.347 -9.261 86 H THR 18 H THR 18 -4.750 -5.454 -8.510 87 HA THR 18 HA THR 18 -6.347 -4.977 -6.321 88 HB THR 18 HB THR 18 -6.711 -7.554 -6.550 89 HG1 THR 18 HG1 THR 18 -5.265 -8.500 -7.746 90 HG21 THR 18 HG21 THR 18 -7.908 -7.265 -8.681 91 HG22 THR 18 HG22 THR 18 -7.044 -5.742 -8.981 92 HG23 THR 18 HG23 THR 18 -8.173 -5.877 -7.608 93 H GLY 19 H GLY 19 -3.039 -6.138 -6.179 94 HA2 GLY 19 HA2 GLY 19 -3.334 -7.408 -3.554 95 HA3 GLY 19 HA3 GLY 19 -1.851 -7.124 -4.474 96 H CYS 20 H CYS 20 -3.100 -4.141 -4.662 97 HA CYS 20 HA CYS 20 -1.506 -3.184 -2.389 98 HB2 CYS 20 HB2 CYS 20 -1.321 -2.208 -4.695 99 HB3 CYS 20 HB3 CYS 20 -2.970 -1.607 -4.473 100 H ARG 21 H ARG 21 -2.910 -4.111 -0.795 101 HA ARG 21 HA ARG 21 -5.567 -3.166 -0.385 102 HB2 ARG 21 HB2 ARG 21 -5.445 -4.054 1.883 103 HB3 ARG 21 HB3 ARG 21 -5.005 -5.176 0.653 104 HG2 ARG 21 HG2 ARG 21 -2.670 -3.784 1.885 105 HG3 ARG 21 HG3 ARG 21 -3.659 -4.765 2.986 106 HD2 ARG 21 HD2 ARG 21 -3.501 -6.666 1.345 107 HD3 ARG 21 HD3 ARG 21 -2.275 -5.741 0.471 108 HE ARG 21 HE ARG 21 -1.410 -5.787 3.130 109 HH11 ARG 21 HH11 ARG 21 -2.175 -8.308 0.679 110 HH12 ARG 21 HH12 ARG 21 -1.297 -9.521 1.525 111 HH21 ARG 21 HH21 ARG 21 -0.023 -7.337 3.991 112 HH22 ARG 21 HH22 ARG 21 0.095 -8.944 3.283 113 H CYS 22 H CYS 22 -3.389 -1.141 -0.570 114 HA CYS 22 HA CYS 22 -3.274 0.559 1.720 115 HB2 CYS 22 HB2 CYS 22 -1.917 0.356 -0.502 116 HB3 CYS 22 HB3 CYS 22 -3.088 1.464 -1.184 117 H THR 23 H THR 23 -5.383 0.477 -1.168 118 HA THR 23 HA THR 23 -6.695 2.953 -0.742 119 HB THR 23 HB THR 23 -6.455 1.889 -2.861 120 HG1 THR 23 HG1 THR 23 -8.446 3.130 -2.219 121 HG21 THR 23 HG21 THR 23 -6.611 -0.522 -2.249 122 HG22 THR 23 HG22 THR 23 -7.629 -0.086 -3.610 123 HG23 THR 23 HG23 THR 23 -8.351 -0.316 -2.004 124 H SER 24 H SER 24 -7.411 3.295 1.234 125 HA SER 24 HA SER 24 -9.725 2.046 2.323 126 HB2 SER 24 HB2 SER 24 -8.493 1.523 4.529 127 HB3 SER 24 HB3 SER 24 -8.337 0.362 3.205 128 HG SER 24 HG SER 24 -6.344 1.741 2.726 129 H ALA 25 H ALA 25 -10.321 3.313 4.291 130 HA ALA 25 HA ALA 25 -9.091 6.032 4.372 131 HB1 ALA 25 HB1 ALA 25 -11.283 6.024 3.170 132 HB2 ALA 25 HB2 ALA 25 -12.053 5.355 4.628 133 HB3 ALA 25 HB3 ALA 25 -11.317 6.969 4.668 134 H ARG 26 H ARG 26 -9.539 7.141 6.466 135 HA ARG 26 HA ARG 26 -8.911 5.292 8.638 136 HB2 ARG 26 HB2 ARG 26 -8.499 7.154 10.004 137 HB3 ARG 26 HB3 ARG 26 -7.783 7.496 8.436 138 HG2 ARG 26 HG2 ARG 26 -9.789 8.972 7.931 139 HG3 ARG 26 HG3 ARG 26 -10.354 8.645 9.585 140 HD2 ARG 26 HD2 ARG 26 -7.952 9.388 10.303 141 HD3 ARG 26 HD3 ARG 26 -7.841 10.099 8.691 142 HE ARG 26 HE ARG 26 -9.927 11.373 9.269 143 HH11 ARG 26 HH11 ARG 26 -7.611 10.471 11.819 144 HH12 ARG 26 HH12 ARG 26 -8.175 11.670 12.922 145 HH21 ARG 26 HH21 ARG 26 -10.854 12.700 10.830 146 HH22 ARG 26 HH22 ARG 26 -10.015 13.019 12.318 Start of MODEL 27 1 H1 GLY 1 H GLY 1 4.360 10.080 -9.366 2 HA2 GLY 1 HA2 GLY 1 4.948 12.358 -7.568 3 HA3 GLY 1 HA3 GLY 1 3.321 11.781 -7.997 4 H SER 2 H SER 2 2.741 11.404 -5.821 5 HA SER 2 HA SER 2 4.235 10.061 -3.891 6 HB2 SER 2 HB2 SER 2 1.235 10.229 -4.376 7 HB3 SER 2 HB3 SER 2 1.949 9.517 -2.919 8 HG SER 2 HG SER 2 2.581 11.403 -2.234 9 H GLY 3 H GLY 3 4.689 8.003 -3.467 10 HA2 GLY 3 HA2 GLY 3 3.344 5.769 -4.856 11 HA3 GLY 3 HA3 GLY 3 5.111 5.960 -4.968 12 H CYS 4 H CYS 4 4.602 3.735 -3.813 13 HA CYS 4 HA CYS 4 4.691 4.212 -0.849 14 HB2 CYS 4 HB2 CYS 4 3.991 1.620 -2.165 15 HB3 CYS 4 HB3 CYS 4 3.785 2.071 -0.496 16 H ASP 5 H ASP 5 5.874 2.340 0.271 17 HA ASP 5 HA ASP 5 7.998 1.116 -1.189 18 HB2 ASP 5 HB2 ASP 5 8.879 3.404 -0.434 19 HB3 ASP 5 HB3 ASP 5 8.481 2.894 1.229 20 H ASP 6 H ASP 6 9.102 -0.156 0.759 21 HA ASP 6 HA ASP 6 7.085 -1.860 1.856 22 HB2 ASP 6 HB2 ASP 6 10.049 -1.657 2.424 23 HB3 ASP 6 HB3 ASP 6 8.987 -2.993 2.912 24 H LYS 7 H LYS 7 9.101 0.779 3.211 25 HA LYS 7 HA LYS 7 8.189 0.599 5.902 26 HB2 LYS 7 HB2 LYS 7 9.137 3.011 4.298 27 HB3 LYS 7 HB3 LYS 7 8.795 3.072 6.021 28 HG2 LYS 7 HG2 LYS 7 10.810 1.145 4.852 29 HG3 LYS 7 HG3 LYS 7 11.238 2.781 5.325 30 HD2 LYS 7 HD2 LYS 7 9.822 1.178 7.430 31 HD3 LYS 7 HD3 LYS 7 11.398 0.591 6.936 32 HE2 LYS 7 HE2 LYS 7 11.805 1.932 8.789 33 HE3 LYS 7 HE3 LYS 7 12.381 2.856 7.417 34 HZ1 LYS 7 HZ1 LYS 7 10.597 4.356 7.669 35 HZ2 LYS 7 HZ2 LYS 7 11.036 4.044 9.188 36 HZ3 LYS 7 HZ3 LYS 7 9.709 3.329 8.627 37 H CYS 8 H CYS 8 6.404 1.472 3.109 38 HA CYS 8 HA CYS 8 4.540 3.330 4.323 39 HB2 CYS 8 HB2 CYS 8 4.977 3.011 1.829 40 HB3 CYS 8 HB3 CYS 8 4.075 1.486 1.966 41 H GLY 9 H GLY 9 4.862 -0.222 4.539 42 HA2 GLY 9 HA2 GLY 9 3.702 -1.493 6.032 43 HA3 GLY 9 HA3 GLY 9 2.434 -0.269 6.171 44 H CYS 10 H CYS 10 3.390 -0.961 2.923 45 HA CYS 10 HA CYS 10 0.797 -2.282 2.478 46 HB2 CYS 10 HB2 CYS 10 2.931 -1.646 0.438 47 HB3 CYS 10 HB3 CYS 10 1.344 -2.238 0.103 48 H ALA 11 H ALA 11 0.939 -4.321 0.950 49 HA ALA 11 HA ALA 11 2.677 -6.312 2.042 50 HB1 ALA 11 HB1 ALA 11 0.516 -6.852 0.909 51 HB2 ALA 11 HB2 ALA 11 1.186 -6.267 -0.639 52 HB3 ALA 11 HB3 ALA 11 1.870 -7.700 0.146 53 H VAL 12 H VAL 12 4.485 -7.453 0.679 54 HA VAL 12 HA VAL 12 5.846 -5.462 -1.063 55 HB VAL 12 HB VAL 12 7.043 -7.084 1.176 56 HG11 VAL 12 HG11 VAL 12 8.254 -5.038 -0.721 57 HG12 VAL 12 HG12 VAL 12 9.084 -5.857 0.632 58 HG13 VAL 12 HG13 VAL 12 8.545 -6.773 -0.779 59 HG21 VAL 12 HG21 VAL 12 6.511 -4.071 0.897 60 HG22 VAL 12 HG22 VAL 12 5.813 -5.166 2.108 61 HG23 VAL 12 HG23 VAL 12 7.535 -4.814 2.145 62 HA PRO 13 HA PRO 13 7.072 -5.344 -2.896 63 HB2 PRO 13 HB2 PRO 13 6.505 -5.570 -5.560 64 HB3 PRO 13 HB3 PRO 13 8.034 -6.179 -4.848 65 HG2 PRO 13 HG2 PRO 13 5.504 -7.731 -5.447 66 HG3 PRO 13 HG3 PRO 13 7.194 -8.170 -5.867 67 HD2 PRO 13 HD2 PRO 13 5.918 -9.182 -3.691 68 HD3 PRO 13 HD3 PRO 13 7.656 -8.781 -3.634 69 H CYS 14 H CYS 14 5.578 -3.588 -3.260 70 HA CYS 14 HA CYS 14 2.916 -4.205 -2.487 71 HB2 CYS 14 HB2 CYS 14 3.992 -2.255 -1.779 72 HB3 CYS 14 HB3 CYS 14 4.214 -1.650 -3.420 73 HA PRO 15 HA PRO 15 1.449 -5.407 -6.526 74 HB2 PRO 15 HB2 PRO 15 -1.330 -5.129 -5.939 75 HB3 PRO 15 HB3 PRO 15 -0.324 -6.579 -5.783 76 HG2 PRO 15 HG2 PRO 15 -1.115 -4.553 -3.724 77 HG3 PRO 15 HG3 PRO 15 -0.931 -6.323 -3.515 78 HD2 PRO 15 HD2 PRO 15 0.897 -4.542 -2.641 79 HD3 PRO 15 HD3 PRO 15 1.413 -6.109 -3.331 80 H GLY 16 H GLY 16 0.812 -2.252 -5.232 81 HA2 GLY 16 HA2 GLY 16 0.586 -0.270 -6.527 82 HA3 GLY 16 HA3 GLY 16 0.388 -1.254 -7.980 83 H GLY 17 H GLY 17 -1.691 -2.454 -8.235 84 HA2 GLY 17 HA2 GLY 17 -4.006 -1.249 -6.761 85 HA3 GLY 17 HA3 GLY 17 -3.978 -1.398 -8.505 86 H THR 18 H THR 18 -2.494 -4.268 -7.989 87 HA THR 18 HA THR 18 -4.830 -5.764 -8.245 88 HB THR 18 HB THR 18 -2.720 -7.402 -7.220 89 HG1 THR 18 HG1 THR 18 -1.009 -6.810 -8.426 90 HG21 THR 18 HG21 THR 18 -4.257 -8.027 -9.069 91 HG22 THR 18 HG22 THR 18 -2.568 -8.201 -9.557 92 HG23 THR 18 HG23 THR 18 -3.493 -6.788 -10.101 93 H GLY 19 H GLY 19 -3.512 -4.504 -5.380 94 HA2 GLY 19 HA2 GLY 19 -5.553 -5.427 -3.678 95 HA3 GLY 19 HA3 GLY 19 -4.206 -6.555 -3.483 96 H CYS 20 H CYS 20 -3.689 -3.093 -4.166 97 HA CYS 20 HA CYS 20 -2.018 -2.892 -1.759 98 HB2 CYS 20 HB2 CYS 20 -1.372 -1.690 -3.822 99 HB3 CYS 20 HB3 CYS 20 -2.801 -0.660 -3.634 100 H ARG 21 H ARG 21 -3.585 -3.250 -0.048 101 HA ARG 21 HA ARG 21 -6.174 -2.087 0.061 102 HB2 ARG 21 HB2 ARG 21 -6.238 -2.753 2.407 103 HB3 ARG 21 HB3 ARG 21 -5.737 -4.008 1.299 104 HG2 ARG 21 HG2 ARG 21 -3.299 -2.855 2.166 105 HG3 ARG 21 HG3 ARG 21 -4.322 -2.834 3.596 106 HD2 ARG 21 HD2 ARG 21 -2.999 -4.871 3.530 107 HD3 ARG 21 HD3 ARG 21 -4.714 -5.261 3.382 108 HE ARG 21 HE ARG 21 -4.224 -5.337 0.849 109 HH11 ARG 21 HH11 ARG 21 -2.279 -6.799 3.426 110 HH12 ARG 21 HH12 ARG 21 -1.680 -8.052 2.409 111 HH21 ARG 21 HH21 ARG 21 -3.270 -6.788 -0.512 112 HH22 ARG 21 HH22 ARG 21 -2.257 -8.063 0.111 113 H CYS 22 H CYS 22 -3.291 -0.532 0.583 114 HA CYS 22 HA CYS 22 -3.455 1.488 2.358 115 HB2 CYS 22 HB2 CYS 22 -1.953 0.776 0.239 116 HB3 CYS 22 HB3 CYS 22 -2.775 2.124 -0.507 117 H THR 23 H THR 23 -5.327 1.276 -0.665 118 HA THR 23 HA THR 23 -6.120 3.953 -0.864 119 HB THR 23 HB THR 23 -6.027 2.167 -2.602 120 HG1 THR 23 HG1 THR 23 -6.899 4.009 -3.112 121 HG21 THR 23 HG21 THR 23 -8.752 1.261 -1.625 122 HG22 THR 23 HG22 THR 23 -7.230 0.354 -1.422 123 HG23 THR 23 HG23 THR 23 -7.843 0.681 -3.037 124 H SER 24 H SER 24 -7.625 1.255 1.006 125 HA SER 24 HA SER 24 -9.642 3.208 2.006 126 HB2 SER 24 HB2 SER 24 -10.762 1.407 0.821 127 HB3 SER 24 HB3 SER 24 -9.838 0.192 1.719 128 HG SER 24 HG SER 24 -12.135 1.375 2.415 129 H ALA 25 H ALA 25 -8.442 4.068 3.559 130 HA ALA 25 HA ALA 25 -7.077 2.312 5.537 131 HB1 ALA 25 HB1 ALA 25 -6.464 5.163 4.658 132 HB2 ALA 25 HB2 ALA 25 -5.618 4.278 5.935 133 HB3 ALA 25 HB3 ALA 25 -5.523 3.696 4.257 134 H ARG 26 H ARG 26 -9.931 2.938 5.574 135 HA ARG 26 HA ARG 26 -10.266 5.037 7.570 136 HB2 ARG 26 HB2 ARG 26 -12.028 3.862 5.731 137 HB3 ARG 26 HB3 ARG 26 -12.542 3.155 7.272 138 HG2 ARG 26 HG2 ARG 26 -12.613 5.428 8.265 139 HG3 ARG 26 HG3 ARG 26 -12.069 6.127 6.723 140 HD2 ARG 26 HD2 ARG 26 -14.149 5.159 5.653 141 HD3 ARG 26 HD3 ARG 26 -14.738 4.763 7.273 142 HE ARG 26 HE ARG 26 -14.601 7.354 5.972 143 HH11 ARG 26 HH11 ARG 26 -14.736 5.824 9.183 144 HH12 ARG 26 HH12 ARG 26 -14.675 7.334 10.029 145 HH21 ARG 26 HH21 ARG 26 -14.665 9.394 7.178 146 HH22 ARG 26 HH22 ARG 26 -14.801 9.338 8.884 Start of MODEL 28 1 H1 GLY 1 H GLY 1 6.784 2.838 -9.478 2 HA2 GLY 1 HA2 GLY 1 5.187 4.619 -8.948 3 HA3 GLY 1 HA3 GLY 1 5.259 3.401 -7.662 4 H SER 2 H SER 2 4.325 5.986 -7.131 5 HA SER 2 HA SER 2 6.372 7.058 -5.279 6 HB2 SER 2 HB2 SER 2 6.247 8.476 -7.321 7 HB3 SER 2 HB3 SER 2 4.521 8.734 -6.990 8 HG SER 2 HG SER 2 5.503 10.405 -6.047 9 H GLY 3 H GLY 3 5.505 7.160 -3.267 10 HA2 GLY 3 HA2 GLY 3 3.567 7.995 -1.945 11 HA3 GLY 3 HA3 GLY 3 2.546 6.928 -2.903 12 H CYS 4 H CYS 4 5.382 5.157 -2.380 13 HA CYS 4 HA CYS 4 5.050 4.339 0.337 14 HB2 CYS 4 HB2 CYS 4 3.534 2.916 -1.823 15 HB3 CYS 4 HB3 CYS 4 4.319 1.867 -0.685 16 H ASP 5 H ASP 5 6.081 2.002 0.619 17 HA ASP 5 HA ASP 5 8.052 1.139 -1.237 18 HB2 ASP 5 HB2 ASP 5 9.046 3.185 -0.042 19 HB3 ASP 5 HB3 ASP 5 8.712 2.337 1.477 20 H ASP 6 H ASP 6 9.286 -0.527 0.284 21 HA ASP 6 HA ASP 6 7.428 -2.446 1.372 22 HB2 ASP 6 HB2 ASP 6 9.642 -2.970 0.326 23 HB3 ASP 6 HB3 ASP 6 10.454 -2.225 1.700 24 H LYS 7 H LYS 7 9.832 -0.167 2.779 25 HA LYS 7 HA LYS 7 9.424 -0.640 5.485 26 HB2 LYS 7 HB2 LYS 7 10.239 1.907 4.012 27 HB3 LYS 7 HB3 LYS 7 10.246 1.779 5.758 28 HG2 LYS 7 HG2 LYS 7 11.690 -0.358 5.440 29 HG3 LYS 7 HG3 LYS 7 11.895 0.222 3.787 30 HD2 LYS 7 HD2 LYS 7 13.758 1.091 4.731 31 HD3 LYS 7 HD3 LYS 7 12.702 2.466 4.985 32 HE2 LYS 7 HE2 LYS 7 13.134 0.272 7.071 33 HE3 LYS 7 HE3 LYS 7 14.256 1.611 6.887 34 HZ1 LYS 7 HZ1 LYS 7 12.744 2.103 8.614 35 HZ2 LYS 7 HZ2 LYS 7 11.420 1.876 7.691 36 HZ3 LYS 7 HZ3 LYS 7 12.452 3.147 7.419 37 H CYS 8 H CYS 8 7.133 0.577 3.399 38 HA CYS 8 HA CYS 8 5.680 2.258 5.351 39 HB2 CYS 8 HB2 CYS 8 5.660 2.670 2.872 40 HB3 CYS 8 HB3 CYS 8 4.735 1.159 2.696 41 H GLY 9 H GLY 9 5.957 -1.220 4.962 42 HA2 GLY 9 HA2 GLY 9 4.835 -2.846 6.046 43 HA3 GLY 9 HA3 GLY 9 3.746 -1.636 6.764 44 H CYS 10 H CYS 10 4.539 -2.090 3.334 45 HA CYS 10 HA CYS 10 1.699 -2.733 2.812 46 HB2 CYS 10 HB2 CYS 10 3.624 -1.063 1.117 47 HB3 CYS 10 HB3 CYS 10 2.176 -1.826 0.490 48 H ALA 11 H ALA 11 1.526 -3.951 0.538 49 HA ALA 11 HA ALA 11 3.144 -6.300 0.657 50 HB1 ALA 11 HB1 ALA 11 2.165 -6.739 -1.601 51 HB2 ALA 11 HB2 ALA 11 0.914 -6.237 -0.455 52 HB3 ALA 11 HB3 ALA 11 1.546 -5.085 -1.660 53 H VAL 12 H VAL 12 4.670 -6.915 -1.121 54 HA VAL 12 HA VAL 12 6.156 -4.600 -2.194 55 HB VAL 12 HB VAL 12 7.656 -7.040 -1.365 56 HG11 VAL 12 HG11 VAL 12 8.656 -5.099 -2.611 57 HG12 VAL 12 HG12 VAL 12 8.213 -4.031 -1.263 58 HG13 VAL 12 HG13 VAL 12 9.373 -5.353 -1.017 59 HG21 VAL 12 HG21 VAL 12 8.030 -6.142 0.887 60 HG22 VAL 12 HG22 VAL 12 6.806 -4.879 0.627 61 HG23 VAL 12 HG23 VAL 12 6.358 -6.606 0.701 62 HA PRO 13 HA PRO 13 6.783 -3.797 -4.020 63 HB2 PRO 13 HB2 PRO 13 5.809 -3.017 -6.414 64 HB3 PRO 13 HB3 PRO 13 7.333 -3.948 -6.293 65 HG2 PRO 13 HG2 PRO 13 4.552 -5.024 -6.879 66 HG3 PRO 13 HG3 PRO 13 6.065 -5.305 -7.791 67 HD2 PRO 13 HD2 PRO 13 5.141 -7.054 -5.886 68 HD3 PRO 13 HD3 PRO 13 6.894 -6.776 -6.114 69 H CYS 14 H CYS 14 5.280 -1.978 -3.574 70 HA CYS 14 HA CYS 14 2.665 -2.927 -2.713 71 HB2 CYS 14 HB2 CYS 14 3.864 -1.136 -1.514 72 HB3 CYS 14 HB3 CYS 14 3.675 -0.081 -2.912 73 HA PRO 15 HA PRO 15 1.090 -2.447 -6.871 74 HB2 PRO 15 HB2 PRO 15 -1.544 -2.969 -6.543 75 HB3 PRO 15 HB3 PRO 15 -0.281 -4.221 -6.364 76 HG2 PRO 15 HG2 PRO 15 -1.556 -2.557 -4.151 77 HG3 PRO 15 HG3 PRO 15 -1.441 -4.341 -4.250 78 HD2 PRO 15 HD2 PRO 15 0.407 -2.937 -2.882 79 HD3 PRO 15 HD3 PRO 15 0.923 -4.297 -3.918 80 H GLY 16 H GLY 16 0.244 -0.332 -4.298 81 HA2 GLY 16 HA2 GLY 16 -0.116 1.985 -4.490 82 HA3 GLY 16 HA3 GLY 16 -0.368 1.785 -6.214 83 H GLY 17 H GLY 17 -2.469 0.165 -6.521 84 HA2 GLY 17 HA2 GLY 17 -4.710 1.748 -5.689 85 HA3 GLY 17 HA3 GLY 17 -4.711 0.296 -6.705 86 H THR 18 H THR 18 -6.314 -0.813 -5.870 87 HA THR 18 HA THR 18 -7.541 -0.995 -3.525 88 HB THR 18 HB THR 18 -8.092 -3.358 -4.398 89 HG1 THR 18 HG1 THR 18 -7.226 -3.658 -6.572 90 HG21 THR 18 HG21 THR 18 -8.307 -1.041 -6.388 91 HG22 THR 18 HG22 THR 18 -9.387 -1.303 -5.004 92 HG23 THR 18 HG23 THR 18 -9.327 -2.490 -6.315 93 H GLY 19 H GLY 19 -4.602 -3.067 -4.205 94 HA2 GLY 19 HA2 GLY 19 -4.864 -4.466 -1.683 95 HA3 GLY 19 HA3 GLY 19 -3.477 -4.472 -2.771 96 H CYS 20 H CYS 20 -3.865 -1.241 -2.352 97 HA CYS 20 HA CYS 20 -1.746 -1.158 -0.356 98 HB2 CYS 20 HB2 CYS 20 -1.845 0.330 -2.390 99 HB3 CYS 20 HB3 CYS 20 -3.230 1.129 -1.630 100 H ARG 21 H ARG 21 -2.728 -1.865 1.609 101 HA ARG 21 HA ARG 21 -5.057 -1.362 2.851 102 HB2 ARG 21 HB2 ARG 21 -2.298 -1.048 4.119 103 HB3 ARG 21 HB3 ARG 21 -3.796 -1.128 5.035 104 HG2 ARG 21 HG2 ARG 21 -4.212 -3.414 4.139 105 HG3 ARG 21 HG3 ARG 21 -2.618 -3.356 3.339 106 HD2 ARG 21 HD2 ARG 21 -1.542 -2.925 5.478 107 HD3 ARG 21 HD3 ARG 21 -3.086 -2.898 6.331 108 HE ARG 21 HE ARG 21 -1.476 -5.163 5.844 109 HH11 ARG 21 HH11 ARG 21 -4.921 -4.226 5.895 110 HH12 ARG 21 HH12 ARG 21 -5.474 -5.814 6.249 111 HH21 ARG 21 HH21 ARG 21 -2.222 -7.243 6.498 112 HH22 ARG 21 HH22 ARG 21 -3.924 -7.577 6.486 113 H CYS 22 H CYS 22 -2.560 1.041 2.572 114 HA CYS 22 HA CYS 22 -3.439 2.987 4.410 115 HB2 CYS 22 HB2 CYS 22 -2.141 3.870 1.888 116 HB3 CYS 22 HB3 CYS 22 -1.812 4.336 3.554 117 H THR 23 H THR 23 -4.816 2.220 1.235 118 HA THR 23 HA THR 23 -5.827 4.839 0.704 119 HB THR 23 HB THR 23 -5.494 2.913 -0.922 120 HG1 THR 23 HG1 THR 23 -6.547 4.571 -1.676 121 HG21 THR 23 HG21 THR 23 -6.668 1.097 0.334 122 HG22 THR 23 HG22 THR 23 -7.264 1.308 -1.308 123 HG23 THR 23 HG23 THR 23 -8.197 1.929 0.073 124 H SER 24 H SER 24 -7.823 5.780 1.399 125 HA SER 24 HA SER 24 -8.881 4.946 3.877 126 HB2 SER 24 HB2 SER 24 -10.524 6.615 2.017 127 HB3 SER 24 HB3 SER 24 -10.111 6.880 3.707 128 HG SER 24 HG SER 24 -9.087 8.387 2.588 129 H ALA 25 H ALA 25 -9.511 4.069 0.648 130 HA ALA 25 HA ALA 25 -12.210 3.128 0.741 131 HB1 ALA 25 HB1 ALA 25 -10.896 4.045 -1.245 132 HB2 ALA 25 HB2 ALA 25 -9.962 2.536 -1.238 133 HB3 ALA 25 HB3 ALA 25 -11.700 2.504 -1.544 134 H ARG 26 H ARG 26 -12.261 0.787 -0.491 135 HA ARG 26 HA ARG 26 -10.797 -1.268 0.993 136 HB2 ARG 26 HB2 ARG 26 -13.833 -1.035 0.679 137 HB3 ARG 26 HB3 ARG 26 -13.002 -2.526 1.117 138 HG2 ARG 26 HG2 ARG 26 -12.050 -1.351 3.142 139 HG3 ARG 26 HG3 ARG 26 -13.006 0.070 2.712 140 HD2 ARG 26 HD2 ARG 26 -14.213 -1.100 4.403 141 HD3 ARG 26 HD3 ARG 26 -15.093 -1.342 2.887 142 HE ARG 26 HE ARG 26 -13.402 -3.515 3.029 143 HH11 ARG 26 HH11 ARG 26 -16.003 -2.288 5.147 144 HH12 ARG 26 HH12 ARG 26 -16.273 -3.796 5.915 145 HH21 ARG 26 HH21 ARG 26 -13.794 -5.476 3.933 146 HH22 ARG 26 HH22 ARG 26 -15.058 -5.703 5.125 Start of MODEL 29 1 H1 GLY 1 H GLY 1 7.975 1.539 -9.152 2 HA2 GLY 1 HA2 GLY 1 6.651 3.506 -9.552 3 HA3 GLY 1 HA3 GLY 1 5.948 2.612 -8.187 4 H SER 2 H SER 2 5.050 4.464 -7.059 5 HA SER 2 HA SER 2 6.969 5.954 -5.529 6 HB2 SER 2 HB2 SER 2 6.308 8.160 -6.233 7 HB3 SER 2 HB3 SER 2 6.910 7.277 -7.629 8 HG SER 2 HG SER 2 4.525 8.425 -7.206 9 H GLY 3 H GLY 3 5.335 7.736 -4.277 10 HA2 GLY 3 HA2 GLY 3 3.451 8.016 -2.948 11 HA3 GLY 3 HA3 GLY 3 2.719 6.572 -3.654 12 H CYS 4 H CYS 4 4.734 4.714 -3.209 13 HA CYS 4 HA CYS 4 5.138 4.621 -0.275 14 HB2 CYS 4 HB2 CYS 4 4.275 2.273 -1.993 15 HB3 CYS 4 HB3 CYS 4 4.680 2.276 -0.271 16 H ASP 5 H ASP 5 6.568 2.823 0.310 17 HA ASP 5 HA ASP 5 8.863 2.312 -1.376 18 HB2 ASP 5 HB2 ASP 5 10.268 2.951 0.598 19 HB3 ASP 5 HB3 ASP 5 9.457 4.340 -0.138 20 H ASP 6 H ASP 6 10.165 0.635 0.056 21 HA ASP 6 HA ASP 6 8.451 -1.522 0.817 22 HB2 ASP 6 HB2 ASP 6 10.791 -2.453 1.637 23 HB3 ASP 6 HB3 ASP 6 10.350 -2.353 -0.058 24 H LYS 7 H LYS 7 10.134 0.962 2.808 25 HA LYS 7 HA LYS 7 9.862 -0.481 5.274 26 HB2 LYS 7 HB2 LYS 7 10.345 2.432 4.552 27 HB3 LYS 7 HB3 LYS 7 10.115 1.959 6.227 28 HG2 LYS 7 HG2 LYS 7 12.203 0.694 4.427 29 HG3 LYS 7 HG3 LYS 7 12.529 2.112 5.413 30 HD2 LYS 7 HD2 LYS 7 11.351 -0.230 6.879 31 HD3 LYS 7 HD3 LYS 7 12.964 -0.445 6.228 32 HE2 LYS 7 HE2 LYS 7 13.185 0.291 8.460 33 HE3 LYS 7 HE3 LYS 7 13.731 1.602 7.416 34 HZ1 LYS 7 HZ1 LYS 7 11.638 2.753 7.902 35 HZ2 LYS 7 HZ2 LYS 7 12.353 2.287 9.289 36 HZ3 LYS 7 HZ3 LYS 7 11.081 1.428 8.736 37 H CYS 8 H CYS 8 7.717 1.677 3.593 38 HA CYS 8 HA CYS 8 5.879 2.572 5.349 39 HB2 CYS 8 HB2 CYS 8 6.016 2.998 2.907 40 HB3 CYS 8 HB3 CYS 8 5.279 1.428 2.606 41 H GLY 9 H GLY 9 6.145 -0.901 4.866 42 HA2 GLY 9 HA2 GLY 9 5.033 -2.459 6.159 43 HA3 GLY 9 HA3 GLY 9 3.789 -1.283 6.585 44 H CYS 10 H CYS 10 4.521 -1.276 3.275 45 HA CYS 10 HA CYS 10 1.969 -2.524 2.649 46 HB2 CYS 10 HB2 CYS 10 4.031 -1.070 0.959 47 HB3 CYS 10 HB3 CYS 10 2.567 -1.799 0.317 48 H ALA 11 H ALA 11 2.091 -3.855 0.390 49 HA ALA 11 HA ALA 11 3.827 -6.139 0.819 50 HB1 ALA 11 HB1 ALA 11 1.549 -6.362 -0.201 51 HB2 ALA 11 HB2 ALA 11 2.075 -5.336 -1.570 52 HB3 ALA 11 HB3 ALA 11 2.816 -6.927 -1.309 53 H VAL 12 H VAL 12 5.501 -6.762 -0.852 54 HA VAL 12 HA VAL 12 6.668 -4.415 -2.267 55 HB VAL 12 HB VAL 12 8.131 -6.440 -0.544 56 HG11 VAL 12 HG11 VAL 12 9.122 -4.074 -2.191 57 HG12 VAL 12 HG12 VAL 12 10.099 -4.952 -1.000 58 HG13 VAL 12 HG13 VAL 12 9.518 -5.789 -2.427 59 HG21 VAL 12 HG21 VAL 12 7.565 -3.475 -0.130 60 HG22 VAL 12 HG22 VAL 12 7.006 -4.820 0.887 61 HG23 VAL 12 HG23 VAL 12 8.720 -4.431 0.829 62 HA PRO 13 HA PRO 13 6.962 -3.931 -4.336 63 HB2 PRO 13 HB2 PRO 13 5.651 -3.958 -6.750 64 HB3 PRO 13 HB3 PRO 13 7.392 -4.312 -6.541 65 HG2 PRO 13 HG2 PRO 13 5.110 -6.280 -6.800 66 HG3 PRO 13 HG3 PRO 13 6.700 -6.311 -7.613 67 HD2 PRO 13 HD2 PRO 13 6.205 -7.795 -5.374 68 HD3 PRO 13 HD3 PRO 13 7.795 -7.058 -5.713 69 H CYS 14 H CYS 14 5.230 -2.301 -4.459 70 HA CYS 14 HA CYS 14 2.880 -3.319 -3.024 71 HB2 CYS 14 HB2 CYS 14 4.112 -1.417 -2.217 72 HB3 CYS 14 HB3 CYS 14 3.638 -0.449 -3.619 73 HA PRO 15 HA PRO 15 0.490 -3.381 -6.793 74 HB2 PRO 15 HB2 PRO 15 -2.065 -3.386 -5.705 75 HB3 PRO 15 HB3 PRO 15 -1.026 -4.822 -5.898 76 HG2 PRO 15 HG2 PRO 15 -1.447 -3.124 -3.438 77 HG3 PRO 15 HG3 PRO 15 -1.326 -4.914 -3.557 78 HD2 PRO 15 HD2 PRO 15 0.765 -3.412 -2.752 79 HD3 PRO 15 HD3 PRO 15 1.023 -4.829 -3.805 80 H GLY 16 H GLY 16 0.324 -0.710 -4.512 81 HA2 GLY 16 HA2 GLY 16 0.023 1.561 -5.168 82 HA3 GLY 16 HA3 GLY 16 -0.557 1.011 -6.733 83 H GLY 17 H GLY 17 -2.674 0.085 -6.920 84 HA2 GLY 17 HA2 GLY 17 -4.578 1.250 -4.961 85 HA3 GLY 17 HA3 GLY 17 -4.924 0.798 -6.630 86 H THR 18 H THR 18 -4.349 -1.656 -7.042 87 HA THR 18 HA THR 18 -6.247 -3.236 -6.049 88 HB THR 18 HB THR 18 -3.618 -4.372 -7.017 89 HG1 THR 18 HG1 THR 18 -4.658 -3.865 -9.137 90 HG21 THR 18 HG21 THR 18 -4.961 -5.961 -8.071 91 HG22 THR 18 HG22 THR 18 -6.438 -4.971 -7.951 92 HG23 THR 18 HG23 THR 18 -5.772 -5.731 -6.517 93 H GLY 19 H GLY 19 -6.213 -2.875 -3.631 94 HA2 GLY 19 HA2 GLY 19 -6.139 -4.149 -1.682 95 HA3 GLY 19 HA3 GLY 19 -4.851 -5.140 -2.367 96 H CYS 20 H CYS 20 -4.274 -1.640 -2.621 97 HA CYS 20 HA CYS 20 -1.976 -1.985 -0.846 98 HB2 CYS 20 HB2 CYS 20 -1.863 -0.397 -2.674 99 HB3 CYS 20 HB3 CYS 20 -3.145 0.565 -1.930 100 H ARG 21 H ARG 21 -2.346 -2.202 1.364 101 HA ARG 21 HA ARG 21 -4.751 -1.738 2.721 102 HB2 ARG 21 HB2 ARG 21 -1.863 -1.841 3.663 103 HB3 ARG 21 HB3 ARG 21 -3.172 -1.603 4.802 104 HG2 ARG 21 HG2 ARG 21 -3.027 -4.025 2.970 105 HG3 ARG 21 HG3 ARG 21 -2.343 -3.915 4.596 106 HD2 ARG 21 HD2 ARG 21 -4.790 -3.161 5.286 107 HD3 ARG 21 HD3 ARG 21 -5.247 -3.994 3.807 108 HE ARG 21 HE ARG 21 -4.401 -6.050 4.673 109 HH11 ARG 21 HH11 ARG 21 -4.082 -3.421 7.097 110 HH12 ARG 21 HH12 ARG 21 -3.903 -4.523 8.417 111 HH21 ARG 21 HH21 ARG 21 -4.178 -7.456 6.461 112 HH22 ARG 21 HH22 ARG 21 -3.790 -6.809 8.030 113 H CYS 22 H CYS 22 -2.353 0.659 1.988 114 HA CYS 22 HA CYS 22 -2.953 2.579 3.987 115 HB2 CYS 22 HB2 CYS 22 -2.162 3.130 1.121 116 HB3 CYS 22 HB3 CYS 22 -1.899 4.182 2.495 117 H THR 23 H THR 23 -4.920 1.702 1.124 118 HA THR 23 HA THR 23 -6.118 4.316 0.993 119 HB THR 23 HB THR 23 -5.801 2.484 -0.817 120 HG1 THR 23 HG1 THR 23 -8.331 3.639 -1.025 121 HG21 THR 23 HG21 THR 23 -8.570 1.637 0.113 122 HG22 THR 23 HG22 THR 23 -7.086 0.679 0.295 123 HG23 THR 23 HG23 THR 23 -7.690 1.080 -1.322 124 H SER 24 H SER 24 -8.098 5.027 1.822 125 HA SER 24 HA SER 24 -8.998 3.687 4.243 126 HB2 SER 24 HB2 SER 24 -8.826 6.222 3.777 127 HB3 SER 24 HB3 SER 24 -10.361 6.067 2.919 128 HG SER 24 HG SER 24 -11.344 5.374 4.841 129 H ALA 25 H ALA 25 -10.078 1.777 3.815 130 HA ALA 25 HA ALA 25 -11.913 1.503 1.520 131 HB1 ALA 25 HB1 ALA 25 -10.538 -0.446 2.199 132 HB2 ALA 25 HB2 ALA 25 -11.224 -0.383 3.837 133 HB3 ALA 25 HB3 ALA 25 -12.261 -0.781 2.458 134 H ARG 26 H ARG 26 -13.044 3.378 2.186 135 HA ARG 26 HA ARG 26 -14.882 4.471 2.872 136 HB2 ARG 26 HB2 ARG 26 -15.745 2.028 4.490 137 HB3 ARG 26 HB3 ARG 26 -16.630 3.518 4.217 138 HG2 ARG 26 HG2 ARG 26 -17.624 2.074 2.753 139 HG3 ARG 26 HG3 ARG 26 -16.595 3.092 1.763 140 HD2 ARG 26 HD2 ARG 26 -16.544 0.811 0.977 141 HD3 ARG 26 HD3 ARG 26 -14.951 1.230 1.585 142 HE ARG 26 HE ARG 26 -15.207 -0.238 3.365 143 HH11 ARG 26 HH11 ARG 26 -18.347 0.021 1.679 144 HH12 ARG 26 HH12 ARG 26 -19.007 -1.399 2.408 145 HH21 ARG 26 HH21 ARG 26 -16.098 -2.225 4.263 146 HH22 ARG 26 HH22 ARG 26 -17.784 -2.524 4.038 Start of MODEL 30 1 H1 GLY 1 H GLY 1 5.428 10.292 1.116 2 HA2 GLY 1 HA2 GLY 1 7.146 8.973 -0.905 3 HA3 GLY 1 HA3 GLY 1 6.084 8.085 0.212 4 H SER 2 H SER 2 6.252 8.938 -2.924 5 HA SER 2 HA SER 2 3.522 9.962 -3.296 6 HB2 SER 2 HB2 SER 2 5.774 9.308 -5.226 7 HB3 SER 2 HB3 SER 2 4.148 9.814 -5.710 8 HG SER 2 HG SER 2 4.631 11.743 -5.229 9 H GLY 3 H GLY 3 5.415 7.106 -4.399 10 HA2 GLY 3 HA2 GLY 3 2.927 5.503 -4.641 11 HA3 GLY 3 HA3 GLY 3 4.566 5.084 -5.192 12 H CYS 4 H CYS 4 4.030 3.023 -4.090 13 HA CYS 4 HA CYS 4 4.356 3.115 -1.098 14 HB2 CYS 4 HB2 CYS 4 3.221 1.071 -3.015 15 HB3 CYS 4 HB3 CYS 4 3.906 0.560 -1.491 16 H ASP 5 H ASP 5 6.045 2.000 -0.176 17 HA ASP 5 HA ASP 5 8.053 0.568 -1.794 18 HB2 ASP 5 HB2 ASP 5 8.635 2.740 0.267 19 HB3 ASP 5 HB3 ASP 5 9.821 1.795 -0.617 20 H ASP 6 H ASP 6 9.721 -0.177 0.160 21 HA ASP 6 HA ASP 6 8.341 -2.105 1.635 22 HB2 ASP 6 HB2 ASP 6 10.409 -2.760 2.416 23 HB3 ASP 6 HB3 ASP 6 10.830 -1.951 0.896 24 H LYS 7 H LYS 7 9.706 0.995 2.951 25 HA LYS 7 HA LYS 7 8.832 0.522 5.605 26 HB2 LYS 7 HB2 LYS 7 9.246 3.236 4.337 27 HB3 LYS 7 HB3 LYS 7 9.177 2.906 6.049 28 HG2 LYS 7 HG2 LYS 7 11.284 1.837 4.156 29 HG3 LYS 7 HG3 LYS 7 11.471 3.273 5.149 30 HD2 LYS 7 HD2 LYS 7 11.467 1.998 7.186 31 HD3 LYS 7 HD3 LYS 7 10.989 0.509 6.336 32 HE2 LYS 7 HE2 LYS 7 13.056 0.376 5.142 33 HE3 LYS 7 HE3 LYS 7 13.551 1.992 5.638 34 HZ1 LYS 7 HZ1 LYS 7 13.221 -0.227 7.570 35 HZ2 LYS 7 HZ2 LYS 7 13.987 1.245 7.805 36 HZ3 LYS 7 HZ3 LYS 7 14.599 0.090 6.819 37 H CYS 8 H CYS 8 6.863 1.123 2.914 38 HA CYS 8 HA CYS 8 4.798 2.642 4.253 39 HB2 CYS 8 HB2 CYS 8 5.021 2.488 1.768 40 HB3 CYS 8 HB3 CYS 8 4.530 0.792 1.870 41 H GLY 9 H GLY 9 5.786 -0.734 4.633 42 HA2 GLY 9 HA2 GLY 9 4.774 -2.373 5.901 43 HA3 GLY 9 HA3 GLY 9 3.514 -1.188 6.378 44 H CYS 10 H CYS 10 4.742 -2.402 3.279 45 HA CYS 10 HA CYS 10 2.177 -3.433 2.468 46 HB2 CYS 10 HB2 CYS 10 3.746 -1.293 1.050 47 HB3 CYS 10 HB3 CYS 10 2.714 -2.413 0.140 48 H ALA 11 H ALA 11 2.615 -4.950 0.514 49 HA ALA 11 HA ALA 11 4.982 -6.492 0.902 50 HB1 ALA 11 HB1 ALA 11 2.864 -7.409 -0.032 51 HB2 ALA 11 HB2 ALA 11 3.065 -6.402 -1.493 52 HB3 ALA 11 HB3 ALA 11 4.222 -7.690 -1.128 53 H VAL 12 H VAL 12 6.656 -6.900 -0.888 54 HA VAL 12 HA VAL 12 7.277 -4.436 -2.430 55 HB VAL 12 HB VAL 12 9.178 -6.085 -0.725 56 HG11 VAL 12 HG11 VAL 12 10.296 -5.364 -2.817 57 HG12 VAL 12 HG12 VAL 12 9.787 -3.686 -2.508 58 HG13 VAL 12 HG13 VAL 12 10.914 -4.518 -1.411 59 HG21 VAL 12 HG21 VAL 12 9.533 -4.027 0.513 60 HG22 VAL 12 HG22 VAL 12 8.369 -3.160 -0.518 61 HG23 VAL 12 HG23 VAL 12 7.821 -4.448 0.579 62 HA PRO 13 HA PRO 13 7.236 -4.025 -4.475 63 HB2 PRO 13 HB2 PRO 13 5.986 -4.456 -6.827 64 HB3 PRO 13 HB3 PRO 13 7.794 -4.515 -6.668 65 HG2 PRO 13 HG2 PRO 13 5.819 -6.837 -6.598 66 HG3 PRO 13 HG3 PRO 13 7.295 -6.693 -7.627 67 HD2 PRO 13 HD2 PRO 13 7.302 -8.036 -5.246 68 HD3 PRO 13 HD3 PRO 13 8.692 -7.088 -5.766 69 H CYS 14 H CYS 14 4.985 -3.098 -4.902 70 HA CYS 14 HA CYS 14 2.961 -4.635 -3.377 71 HB2 CYS 14 HB2 CYS 14 3.729 -2.674 -2.342 72 HB3 CYS 14 HB3 CYS 14 3.544 -1.704 -3.793 73 HA PRO 15 HA PRO 15 0.432 -4.865 -7.043 74 HB2 PRO 15 HB2 PRO 15 -2.038 -5.427 -5.967 75 HB3 PRO 15 HB3 PRO 15 -0.654 -6.560 -5.894 76 HG2 PRO 15 HG2 PRO 15 -1.488 -4.542 -3.784 77 HG3 PRO 15 HG3 PRO 15 -1.295 -6.302 -3.592 78 HD2 PRO 15 HD2 PRO 15 0.749 -4.671 -2.982 79 HD3 PRO 15 HD3 PRO 15 1.082 -6.159 -3.924 80 H GLY 16 H GLY 16 -0.226 -2.274 -4.762 81 HA2 GLY 16 HA2 GLY 16 -1.083 -0.134 -5.241 82 HA3 GLY 16 HA3 GLY 16 -1.437 -0.651 -6.892 83 H GLY 17 H GLY 17 -3.143 -2.617 -6.714 84 HA2 GLY 17 HA2 GLY 17 -5.546 -1.670 -5.220 85 HA3 GLY 17 HA3 GLY 17 -5.524 -2.536 -6.780 86 H THR 18 H THR 18 -6.802 -4.185 -5.956 87 HA THR 18 HA THR 18 -7.363 -5.803 -4.323 88 HB THR 18 HB THR 18 -5.630 -6.957 -6.543 89 HG1 THR 18 HG1 THR 18 -7.602 -6.616 -7.786 90 HG21 THR 18 HG21 THR 18 -8.349 -7.850 -5.469 91 HG22 THR 18 HG22 THR 18 -6.792 -8.578 -4.994 92 HG23 THR 18 HG23 THR 18 -7.335 -8.686 -6.662 93 H GLY 19 H GLY 19 -6.319 -5.557 -2.291 94 HA2 GLY 19 HA2 GLY 19 -5.172 -6.974 -0.720 95 HA3 GLY 19 HA3 GLY 19 -3.894 -7.247 -1.911 96 H CYS 20 H CYS 20 -4.157 -4.083 -2.522 97 HA CYS 20 HA CYS 20 -1.980 -3.492 -0.783 98 HB2 CYS 20 HB2 CYS 20 -2.243 -2.508 -3.035 99 HB3 CYS 20 HB3 CYS 20 -3.579 -1.540 -2.401 100 H ARG 21 H ARG 21 -2.141 -3.003 1.373 101 HA ARG 21 HA ARG 21 -4.698 -2.392 2.545 102 HB2 ARG 21 HB2 ARG 21 -3.649 -2.637 4.638 103 HB3 ARG 21 HB3 ARG 21 -3.057 -3.883 3.570 104 HG2 ARG 21 HG2 ARG 21 -0.933 -3.305 4.015 105 HG3 ARG 21 HG3 ARG 21 -1.197 -1.683 3.367 106 HD2 ARG 21 HD2 ARG 21 -0.395 -1.452 5.620 107 HD3 ARG 21 HD3 ARG 21 -2.105 -1.044 5.657 108 HE ARG 21 HE ARG 21 -2.625 -3.004 6.767 109 HH11 ARG 21 HH11 ARG 21 0.875 -2.888 6.054 110 HH12 ARG 21 HH12 ARG 21 1.298 -4.095 7.210 111 HH21 ARG 21 HH21 ARG 21 -2.091 -4.974 7.841 112 HH22 ARG 21 HH22 ARG 21 -0.435 -5.341 8.226 113 H CYS 22 H CYS 22 -4.222 -0.189 0.836 114 HA CYS 22 HA CYS 22 -4.176 1.994 2.884 115 HB2 CYS 22 HB2 CYS 22 -2.810 2.545 0.317 116 HB3 CYS 22 HB3 CYS 22 -2.539 3.263 1.891 117 H THR 23 H THR 23 -6.125 0.614 0.734 118 HA THR 23 HA THR 23 -7.122 3.160 -0.470 119 HB THR 23 HB THR 23 -8.366 1.191 -1.880 120 HG1 THR 23 HG1 THR 23 -7.145 -0.481 -0.852 121 HG21 THR 23 HG21 THR 23 -5.641 2.466 -2.348 122 HG22 THR 23 HG22 THR 23 -7.226 3.018 -2.916 123 HG23 THR 23 HG23 THR 23 -6.517 1.536 -3.575 124 H SER 24 H SER 24 -8.196 3.817 1.436 125 HA SER 24 HA SER 24 -10.620 2.216 2.072 126 HB2 SER 24 HB2 SER 24 -10.202 2.974 4.450 127 HB3 SER 24 HB3 SER 24 -9.056 1.810 3.797 128 HG SER 24 HG SER 24 -8.702 4.565 4.264 129 H ALA 25 H ALA 25 -10.356 4.387 0.129 130 HA ALA 25 HA ALA 25 -11.248 6.848 1.230 131 HB1 ALA 25 HB1 ALA 25 -11.889 7.403 -1.088 132 HB2 ALA 25 HB2 ALA 25 -10.253 6.711 -1.005 133 HB3 ALA 25 HB3 ALA 25 -11.611 5.723 -1.573 134 H ARG 26 H ARG 26 -13.274 7.710 1.534 135 HA ARG 26 HA ARG 26 -15.720 6.219 0.974 136 HB2 ARG 26 HB2 ARG 26 -14.845 7.080 3.781 137 HB3 ARG 26 HB3 ARG 26 -16.483 6.575 3.328 138 HG2 ARG 26 HG2 ARG 26 -15.554 4.341 2.646 139 HG3 ARG 26 HG3 ARG 26 -13.968 4.847 3.272 140 HD2 ARG 26 HD2 ARG 26 -14.987 5.219 5.508 141 HD3 ARG 26 HD3 ARG 26 -16.532 4.640 4.864 142 HE ARG 26 HE ARG 26 -14.231 3.059 5.653 143 HH11 ARG 26 HH11 ARG 26 -17.297 3.018 3.784 144 HH12 ARG 26 HH12 ARG 26 -17.481 1.326 3.933 145 HH21 ARG 26 HH21 ARG 26 -14.422 0.853 5.719 146 HH22 ARG 26 HH22 ARG 26 -15.707 0.027 4.868 Start of MODEL 31 1 H1 GLY 1 H GLY 1 6.851 8.957 -2.195 2 HA2 GLY 1 HA2 GLY 1 5.968 10.154 -0.172 3 HA3 GLY 1 HA3 GLY 1 5.321 11.328 -1.299 4 H SER 2 H SER 2 3.891 9.935 -3.256 5 HA SER 2 HA SER 2 1.773 8.761 -1.673 6 HB2 SER 2 HB2 SER 2 0.583 8.772 -3.849 7 HB3 SER 2 HB3 SER 2 1.239 10.343 -3.396 8 HG SER 2 HG SER 2 1.654 9.864 -5.552 9 H GLY 3 H GLY 3 0.647 6.787 -3.230 10 HA2 GLY 3 HA2 GLY 3 0.748 4.573 -3.707 11 HA3 GLY 3 HA3 GLY 3 2.475 4.788 -4.095 12 H CYS 4 H CYS 4 3.068 2.865 -3.050 13 HA CYS 4 HA CYS 4 3.450 3.035 -0.169 14 HB2 CYS 4 HB2 CYS 4 2.028 0.709 -1.478 15 HB3 CYS 4 HB3 CYS 4 2.820 0.690 0.117 16 H ASP 5 H ASP 5 5.457 2.899 -0.234 17 HA ASP 5 HA ASP 5 7.056 1.452 -2.176 18 HB2 ASP 5 HB2 ASP 5 7.939 3.094 0.225 19 HB3 ASP 5 HB3 ASP 5 8.858 2.779 -1.245 20 H ASP 6 H ASP 6 9.051 0.404 -1.136 21 HA ASP 6 HA ASP 6 8.370 -1.847 0.183 22 HB2 ASP 6 HB2 ASP 6 11.094 -0.464 0.245 23 HB3 ASP 6 HB3 ASP 6 10.812 -2.189 0.473 24 H LYS 7 H LYS 7 9.635 1.125 1.599 25 HA LYS 7 HA LYS 7 9.856 0.227 4.306 26 HB2 LYS 7 HB2 LYS 7 10.140 2.586 4.793 27 HB3 LYS 7 HB3 LYS 7 11.076 2.097 3.373 28 HG2 LYS 7 HG2 LYS 7 9.172 3.104 1.972 29 HG3 LYS 7 HG3 LYS 7 8.538 3.763 3.478 30 HD2 LYS 7 HD2 LYS 7 9.735 5.499 2.481 31 HD3 LYS 7 HD3 LYS 7 10.814 4.929 3.767 32 HE2 LYS 7 HE2 LYS 7 12.084 3.630 2.060 33 HE3 LYS 7 HE3 LYS 7 10.975 4.163 0.798 34 HZ1 LYS 7 HZ1 LYS 7 11.797 6.410 1.078 35 HZ2 LYS 7 HZ2 LYS 7 13.062 5.366 0.871 36 HZ3 LYS 7 HZ3 LYS 7 12.783 5.949 2.335 37 H CYS 8 H CYS 8 7.109 0.951 2.570 38 HA CYS 8 HA CYS 8 5.431 2.246 4.496 39 HB2 CYS 8 HB2 CYS 8 4.880 2.152 2.113 40 HB3 CYS 8 HB3 CYS 8 4.605 0.394 2.257 41 H GLY 9 H GLY 9 6.036 -1.296 4.137 42 HA2 GLY 9 HA2 GLY 9 5.487 -2.919 5.754 43 HA3 GLY 9 HA3 GLY 9 4.554 -1.717 6.675 44 H CYS 10 H CYS 10 4.587 -2.863 3.312 45 HA CYS 10 HA CYS 10 1.797 -3.736 3.261 46 HB2 CYS 10 HB2 CYS 10 3.100 -1.829 1.215 47 HB3 CYS 10 HB3 CYS 10 1.673 -2.815 0.967 48 H ALA 11 H ALA 11 1.646 -4.976 0.929 49 HA ALA 11 HA ALA 11 3.893 -6.795 0.753 50 HB1 ALA 11 HB1 ALA 11 1.606 -6.235 -1.194 51 HB2 ALA 11 HB2 ALA 11 2.749 -7.569 -1.339 52 HB3 ALA 11 HB3 ALA 11 1.641 -7.522 0.037 53 H VAL 12 H VAL 12 5.170 -6.987 -1.352 54 HA VAL 12 HA VAL 12 5.681 -4.392 -2.691 55 HB VAL 12 HB VAL 12 7.780 -6.214 -1.461 56 HG11 VAL 12 HG11 VAL 12 9.374 -4.496 -2.183 57 HG12 VAL 12 HG12 VAL 12 8.540 -5.182 -3.585 58 HG13 VAL 12 HG13 VAL 12 8.080 -3.573 -2.974 59 HG21 VAL 12 HG21 VAL 12 8.332 -4.209 -0.075 60 HG22 VAL 12 HG22 VAL 12 6.878 -3.393 -0.709 61 HG23 VAL 12 HG23 VAL 12 6.740 -4.862 0.292 62 HA PRO 13 HA PRO 13 5.411 -3.810 -4.744 63 HB2 PRO 13 HB2 PRO 13 3.631 -4.049 -6.810 64 HB3 PRO 13 HB3 PRO 13 5.406 -4.123 -7.013 65 HG2 PRO 13 HG2 PRO 13 3.431 -6.414 -6.850 66 HG3 PRO 13 HG3 PRO 13 4.783 -6.191 -7.996 67 HD2 PRO 13 HD2 PRO 13 4.959 -7.744 -5.741 68 HD3 PRO 13 HD3 PRO 13 6.361 -6.867 -6.413 69 H CYS 14 H CYS 14 3.600 -2.591 -3.978 70 HA CYS 14 HA CYS 14 1.770 -4.155 -2.335 71 HB2 CYS 14 HB2 CYS 14 2.659 -1.997 -1.559 72 HB3 CYS 14 HB3 CYS 14 1.794 -1.177 -2.851 73 HA PRO 15 HA PRO 15 -1.022 -4.597 -5.806 74 HB2 PRO 15 HB2 PRO 15 -3.262 -5.597 -4.539 75 HB3 PRO 15 HB3 PRO 15 -1.799 -6.550 -4.906 76 HG2 PRO 15 HG2 PRO 15 -2.511 -5.174 -2.301 77 HG3 PRO 15 HG3 PRO 15 -1.928 -6.853 -2.544 78 HD2 PRO 15 HD2 PRO 15 -0.219 -4.899 -1.840 79 HD3 PRO 15 HD3 PRO 15 0.265 -6.124 -3.059 80 H GLY 16 H GLY 16 -1.788 -2.542 -3.060 81 HA2 GLY 16 HA2 GLY 16 -3.033 -0.578 -2.994 82 HA3 GLY 16 HA3 GLY 16 -3.036 -0.612 -4.751 83 H GLY 17 H GLY 17 -4.369 -3.459 -3.368 84 HA2 GLY 17 HA2 GLY 17 -7.190 -2.582 -3.603 85 HA3 GLY 17 HA3 GLY 17 -6.567 -4.078 -4.338 86 H THR 18 H THR 18 -7.862 -5.426 -3.016 87 HA THR 18 HA THR 18 -8.576 -5.496 -0.488 88 HB THR 18 HB THR 18 -8.432 -7.997 -0.666 89 HG1 THR 18 HG1 THR 18 -7.712 -8.834 -2.644 90 HG21 THR 18 HG21 THR 18 -9.405 -6.686 -3.250 91 HG22 THR 18 HG22 THR 18 -10.281 -6.659 -1.711 92 HG23 THR 18 HG23 THR 18 -9.965 -8.202 -2.511 93 H GLY 19 H GLY 19 -5.321 -6.723 -1.376 94 HA2 GLY 19 HA2 GLY 19 -4.635 -7.438 1.313 95 HA3 GLY 19 HA3 GLY 19 -3.534 -7.289 -0.066 96 H CYS 20 H CYS 20 -4.692 -4.269 -0.151 97 HA CYS 20 HA CYS 20 -2.409 -3.287 1.342 98 HB2 CYS 20 HB2 CYS 20 -3.120 -2.233 -0.807 99 HB3 CYS 20 HB3 CYS 20 -4.530 -1.610 0.065 100 H ARG 21 H ARG 21 -2.626 -3.552 3.510 101 HA ARG 21 HA ARG 21 -5.062 -3.266 4.935 102 HB2 ARG 21 HB2 ARG 21 -2.226 -2.846 5.941 103 HB3 ARG 21 HB3 ARG 21 -3.651 -2.919 6.987 104 HG2 ARG 21 HG2 ARG 21 -4.173 -5.192 6.264 105 HG3 ARG 21 HG3 ARG 21 -2.904 -5.146 5.042 106 HD2 ARG 21 HD2 ARG 21 -2.129 -6.470 6.845 107 HD3 ARG 21 HD3 ARG 21 -1.175 -4.993 6.790 108 HE ARG 21 HE ARG 21 -2.482 -4.133 8.674 109 HH11 ARG 21 HH11 ARG 21 -2.529 -7.701 8.269 110 HH12 ARG 21 HH12 ARG 21 -2.446 -7.977 9.976 111 HH21 ARG 21 HH21 ARG 21 -2.553 -4.593 10.928 112 HH22 ARG 21 HH22 ARG 21 -2.615 -6.228 11.465 113 H CYS 22 H CYS 22 -2.944 -0.741 3.903 114 HA CYS 22 HA CYS 22 -4.605 1.438 5.122 115 HB2 CYS 22 HB2 CYS 22 -2.614 2.850 4.292 116 HB3 CYS 22 HB3 CYS 22 -2.289 1.805 5.653 117 H THR 23 H THR 23 -6.314 0.784 3.340 118 HA THR 23 HA THR 23 -5.375 1.625 0.659 119 HB THR 23 HB THR 23 -6.280 -0.615 0.964 120 HG1 THR 23 HG1 THR 23 -7.844 0.873 -0.842 121 HG21 THR 23 HG21 THR 23 -8.628 -1.038 1.128 122 HG22 THR 23 HG22 THR 23 -8.993 0.697 1.303 123 HG23 THR 23 HG23 THR 23 -8.098 -0.176 2.569 124 H SER 24 H SER 24 -7.176 3.049 3.237 125 HA SER 24 HA SER 24 -9.201 4.378 2.242 126 HB2 SER 24 HB2 SER 24 -7.014 5.806 3.786 127 HB3 SER 24 HB3 SER 24 -8.752 6.119 3.812 128 HG SER 24 HG SER 24 -8.297 5.005 5.567 129 H ALA 25 H ALA 25 -5.877 5.625 1.660 130 HA ALA 25 HA ALA 25 -6.651 7.885 0.188 131 HB1 ALA 25 HB1 ALA 25 -4.055 6.291 0.070 132 HB2 ALA 25 HB2 ALA 25 -4.297 7.936 -0.554 133 HB3 ALA 25 HB3 ALA 25 -4.428 7.624 1.190 134 H ARG 26 H ARG 26 -8.263 7.360 -1.363 135 HA ARG 26 HA ARG 26 -7.299 6.271 -3.912 136 HB2 ARG 26 HB2 ARG 26 -8.382 4.323 -2.850 137 HB3 ARG 26 HB3 ARG 26 -9.751 5.323 -2.378 138 HG2 ARG 26 HG2 ARG 26 -10.317 3.909 -4.293 139 HG3 ARG 26 HG3 ARG 26 -10.460 5.631 -4.666 140 HD2 ARG 26 HD2 ARG 26 -9.463 4.418 -6.544 141 HD3 ARG 26 HD3 ARG 26 -8.366 5.619 -5.850 142 HE ARG 26 HE ARG 26 -8.170 2.820 -4.952 143 HH11 ARG 26 HH11 ARG 26 -6.748 5.396 -6.971 144 HH12 ARG 26 HH12 ARG 26 -5.133 4.782 -6.932 145 HH21 ARG 26 HH21 ARG 26 -6.084 1.918 -4.977 146 HH22 ARG 26 HH22 ARG 26 -4.739 2.695 -5.758 Start of MODEL 32 1 H1 GLY 1 H GLY 1 7.830 1.263 -7.240 2 HA2 GLY 1 HA2 GLY 1 7.418 2.206 -5.085 3 HA3 GLY 1 HA3 GLY 1 7.705 3.549 -6.201 4 H SER 2 H SER 2 5.768 4.637 -7.146 5 HA SER 2 HA SER 2 3.957 5.873 -6.814 6 HB2 SER 2 HB2 SER 2 2.615 3.205 -6.320 7 HB3 SER 2 HB3 SER 2 1.867 4.703 -6.901 8 HG SER 2 HG SER 2 3.543 2.906 -8.198 9 H GLY 3 H GLY 3 5.265 6.499 -4.815 10 HA2 GLY 3 HA2 GLY 3 5.175 7.538 -2.826 11 HA3 GLY 3 HA3 GLY 3 3.441 7.254 -2.791 12 H CYS 4 H CYS 4 5.560 4.394 -2.843 13 HA CYS 4 HA CYS 4 5.595 4.219 0.092 14 HB2 CYS 4 HB2 CYS 4 4.034 2.333 -1.695 15 HB3 CYS 4 HB3 CYS 4 4.670 1.815 -0.143 16 H ASP 5 H ASP 5 7.153 2.866 0.848 17 HA ASP 5 HA ASP 5 8.814 1.317 -1.027 18 HB2 ASP 5 HB2 ASP 5 9.779 2.941 1.365 19 HB3 ASP 5 HB3 ASP 5 10.762 2.118 0.151 20 H ASP 6 H ASP 6 10.164 -0.238 0.423 21 HA ASP 6 HA ASP 6 8.466 -1.951 1.864 22 HB2 ASP 6 HB2 ASP 6 10.564 -2.647 0.877 23 HB3 ASP 6 HB3 ASP 6 11.480 -1.582 1.961 24 H LYS 7 H LYS 7 10.681 0.583 3.104 25 HA LYS 7 HA LYS 7 10.351 0.019 5.837 26 HB2 LYS 7 HB2 LYS 7 10.833 2.777 4.682 27 HB3 LYS 7 HB3 LYS 7 11.243 2.220 6.303 28 HG2 LYS 7 HG2 LYS 7 12.466 1.217 3.701 29 HG3 LYS 7 HG3 LYS 7 13.200 2.389 4.766 30 HD2 LYS 7 HD2 LYS 7 12.600 -0.382 5.859 31 HD3 LYS 7 HD3 LYS 7 13.915 -0.135 4.734 32 HE2 LYS 7 HE2 LYS 7 15.003 0.062 6.731 33 HE3 LYS 7 HE3 LYS 7 14.791 1.734 6.244 34 HZ1 LYS 7 HZ1 LYS 7 14.326 1.359 8.563 35 HZ2 LYS 7 HZ2 LYS 7 13.148 0.262 8.226 36 HZ3 LYS 7 HZ3 LYS 7 12.946 1.850 7.854 37 H CYS 8 H CYS 8 7.987 1.270 3.682 38 HA CYS 8 HA CYS 8 6.423 2.761 5.647 39 HB2 CYS 8 HB2 CYS 8 6.331 3.113 3.140 40 HB3 CYS 8 HB3 CYS 8 5.602 1.520 2.994 41 H GLY 9 H GLY 9 6.731 -0.691 4.735 42 HA2 GLY 9 HA2 GLY 9 5.770 -2.474 5.797 43 HA3 GLY 9 HA3 GLY 9 4.700 -1.401 6.727 44 H CYS 10 H CYS 10 5.383 -2.089 3.257 45 HA CYS 10 HA CYS 10 2.563 -2.545 2.703 46 HB2 CYS 10 HB2 CYS 10 4.307 -0.684 1.018 47 HB3 CYS 10 HB3 CYS 10 2.659 -1.233 0.672 48 H ALA 11 H ALA 11 2.547 -3.438 0.199 49 HA ALA 11 HA ALA 11 4.343 -5.671 0.159 50 HB1 ALA 11 HB1 ALA 11 2.146 -5.811 -0.889 51 HB2 ALA 11 HB2 ALA 11 2.533 -4.473 -1.991 52 HB3 ALA 11 HB3 ALA 11 3.387 -6.012 -2.131 53 H VAL 12 H VAL 12 5.837 -6.074 -1.853 54 HA VAL 12 HA VAL 12 7.243 -3.586 -2.638 55 HB VAL 12 HB VAL 12 8.498 -6.118 -1.554 56 HG11 VAL 12 HG11 VAL 12 10.647 -4.947 -1.880 57 HG12 VAL 12 HG12 VAL 12 9.851 -5.180 -3.430 58 HG13 VAL 12 HG13 VAL 12 9.811 -3.584 -2.651 59 HG21 VAL 12 HG21 VAL 12 9.419 -4.560 0.156 60 HG22 VAL 12 HG22 VAL 12 8.477 -3.222 -0.539 61 HG23 VAL 12 HG23 VAL 12 7.663 -4.598 0.226 62 HA PRO 13 HA PRO 13 7.326 -2.532 -4.378 63 HB2 PRO 13 HB2 PRO 13 6.185 -1.756 -6.682 64 HB3 PRO 13 HB3 PRO 13 7.840 -2.441 -6.656 65 HG2 PRO 13 HG2 PRO 13 5.267 -3.875 -7.313 66 HG3 PRO 13 HG3 PRO 13 6.806 -3.880 -8.233 67 HD2 PRO 13 HD2 PRO 13 6.117 -5.844 -6.468 68 HD3 PRO 13 HD3 PRO 13 7.797 -5.355 -6.743 69 H CYS 14 H CYS 14 5.535 -1.093 -3.723 70 HA CYS 14 HA CYS 14 3.148 -2.600 -2.959 71 HB2 CYS 14 HB2 CYS 14 3.873 -1.059 -1.425 72 HB3 CYS 14 HB3 CYS 14 3.957 0.276 -2.591 73 HA PRO 15 HA PRO 15 1.398 -1.869 -7.019 74 HB2 PRO 15 HB2 PRO 15 -1.217 -2.730 -6.549 75 HB3 PRO 15 HB3 PRO 15 0.191 -3.783 -6.917 76 HG2 PRO 15 HG2 PRO 15 -0.980 -3.071 -4.224 77 HG3 PRO 15 HG3 PRO 15 -0.432 -4.678 -4.809 78 HD2 PRO 15 HD2 PRO 15 1.096 -3.174 -3.197 79 HD3 PRO 15 HD3 PRO 15 1.816 -4.136 -4.523 80 H GLY 16 H GLY 16 -0.488 -0.820 -4.158 81 HA2 GLY 16 HA2 GLY 16 -0.727 1.600 -3.786 82 HA3 GLY 16 HA3 GLY 16 -0.960 1.815 -5.512 83 H GLY 17 H GLY 17 -2.904 -0.410 -5.854 84 HA2 GLY 17 HA2 GLY 17 -5.301 1.011 -4.960 85 HA3 GLY 17 HA3 GLY 17 -5.199 -0.391 -6.024 86 H THR 18 H THR 18 -6.576 -1.894 -5.174 87 HA THR 18 HA THR 18 -7.200 -2.195 -2.514 88 HB THR 18 HB THR 18 -7.191 -4.643 -4.250 89 HG1 THR 18 HG1 THR 18 -9.056 -3.767 -5.319 90 HG21 THR 18 HG21 THR 18 -9.420 -4.879 -3.331 91 HG22 THR 18 HG22 THR 18 -9.427 -3.196 -2.755 92 HG23 THR 18 HG23 THR 18 -8.364 -4.401 -2.012 93 H GLY 19 H GLY 19 -4.205 -2.948 -3.919 94 HA2 GLY 19 HA2 GLY 19 -3.478 -5.062 -1.985 95 HA3 GLY 19 HA3 GLY 19 -2.506 -4.472 -3.330 96 H CYS 20 H CYS 20 -3.758 -1.725 -1.714 97 HA CYS 20 HA CYS 20 -1.370 -1.561 0.065 98 HB2 CYS 20 HB2 CYS 20 -1.110 -0.081 -1.940 99 HB3 CYS 20 HB3 CYS 20 -2.605 0.738 -1.450 100 H ARG 21 H ARG 21 -2.163 -1.921 1.994 101 HA ARG 21 HA ARG 21 -4.776 -1.210 2.872 102 HB2 ARG 21 HB2 ARG 21 -2.272 -1.768 4.487 103 HB3 ARG 21 HB3 ARG 21 -3.900 -1.751 5.162 104 HG2 ARG 21 HG2 ARG 21 -3.003 -3.656 2.950 105 HG3 ARG 21 HG3 ARG 21 -2.956 -4.047 4.665 106 HD2 ARG 21 HD2 ARG 21 -5.331 -3.921 4.891 107 HD3 ARG 21 HD3 ARG 21 -5.518 -3.149 3.307 108 HE ARG 21 HE ARG 21 -4.239 -5.608 2.856 109 HH11 ARG 21 HH11 ARG 21 -7.433 -4.247 3.730 110 HH12 ARG 21 HH12 ARG 21 -8.309 -5.625 3.209 111 HH21 ARG 21 HH21 ARG 21 -5.451 -7.411 2.029 112 HH22 ARG 21 HH22 ARG 21 -7.176 -7.420 2.196 113 H CYS 22 H CYS 22 -2.259 0.977 2.367 114 HA CYS 22 HA CYS 22 -2.798 2.710 4.628 115 HB2 CYS 22 HB2 CYS 22 -1.726 3.726 2.031 116 HB3 CYS 22 HB3 CYS 22 -1.449 4.334 3.642 117 H THR 23 H THR 23 -4.718 2.057 1.801 118 HA THR 23 HA THR 23 -6.209 4.567 2.242 119 HB THR 23 HB THR 23 -4.757 4.702 0.256 120 HG1 THR 23 HG1 THR 23 -7.278 4.593 -0.865 121 HG21 THR 23 HG21 THR 23 -5.279 3.445 -1.809 122 HG22 THR 23 HG22 THR 23 -6.377 2.398 -0.894 123 HG23 THR 23 HG23 THR 23 -4.646 2.395 -0.533 124 H SER 24 H SER 24 -8.449 4.361 2.065 125 HA SER 24 HA SER 24 -9.435 1.729 2.780 126 HB2 SER 24 HB2 SER 24 -10.977 4.299 2.233 127 HB3 SER 24 HB3 SER 24 -11.526 2.884 3.156 128 HG SER 24 HG SER 24 -9.401 3.389 4.371 129 H ALA 25 H ALA 25 -10.962 0.513 1.709 130 HA ALA 25 HA ALA 25 -11.896 1.079 -0.998 131 HB1 ALA 25 HB1 ALA 25 -9.706 0.049 -1.505 132 HB2 ALA 25 HB2 ALA 25 -10.036 -1.279 -0.372 133 HB3 ALA 25 HB3 ALA 25 -11.013 -1.105 -1.843 134 H ARG 26 H ARG 26 -13.911 1.093 0.039 135 HA ARG 26 HA ARG 26 -14.607 -0.975 1.977 136 HB2 ARG 26 HB2 ARG 26 -15.341 1.511 1.969 137 HB3 ARG 26 HB3 ARG 26 -16.470 1.041 0.680 138 HG2 ARG 26 HG2 ARG 26 -17.612 -0.501 2.142 139 HG3 ARG 26 HG3 ARG 26 -16.365 -0.336 3.394 140 HD2 ARG 26 HD2 ARG 26 -16.895 2.049 3.643 141 HD3 ARG 26 HD3 ARG 26 -18.151 1.926 2.409 142 HE ARG 26 HE ARG 26 -19.071 0.077 4.068 143 HH11 ARG 26 HH11 ARG 26 -17.734 3.245 4.973 144 HH12 ARG 26 HH12 ARG 26 -18.392 3.172 6.581 145 HH21 ARG 26 HH21 ARG 26 -20.057 0.094 6.074 146 HH22 ARG 26 HH22 ARG 26 -19.901 1.432 7.164 Start of MODEL 33 1 H1 GLY 1 H GLY 1 -0.157 12.829 -5.687 2 HA2 GLY 1 HA2 GLY 1 1.754 11.260 -5.714 3 HA3 GLY 1 HA3 GLY 1 2.067 12.689 -4.720 4 H SER 2 H SER 2 1.077 9.324 -4.710 5 HA SER 2 HA SER 2 2.204 8.876 -2.066 6 HB2 SER 2 HB2 SER 2 -0.209 9.436 -1.638 7 HB3 SER 2 HB3 SER 2 -0.679 8.100 -2.710 8 HG SER 2 HG SER 2 0.165 8.089 -0.117 9 H GLY 3 H GLY 3 2.145 6.343 -1.794 10 HA2 GLY 3 HA2 GLY 3 1.681 4.542 -3.849 11 HA3 GLY 3 HA3 GLY 3 3.285 5.225 -4.189 12 H CYS 4 H CYS 4 4.680 3.583 -3.572 13 HA CYS 4 HA CYS 4 4.816 2.969 -0.750 14 HB2 CYS 4 HB2 CYS 4 4.281 0.778 -2.816 15 HB3 CYS 4 HB3 CYS 4 4.819 0.473 -1.163 16 H ASP 5 H ASP 5 6.427 1.591 -0.214 17 HA ASP 5 HA ASP 5 8.725 0.860 -1.659 18 HB2 ASP 5 HB2 ASP 5 10.222 2.149 -0.411 19 HB3 ASP 5 HB3 ASP 5 9.035 3.361 -0.910 20 H ASP 6 H ASP 6 10.013 -0.138 0.301 21 HA ASP 6 HA ASP 6 8.506 -2.192 1.487 22 HB2 ASP 6 HB2 ASP 6 11.283 -1.083 2.070 23 HB3 ASP 6 HB3 ASP 6 10.645 -2.565 2.772 24 H LYS 7 H LYS 7 10.052 0.684 2.992 25 HA LYS 7 HA LYS 7 9.389 0.156 5.663 26 HB2 LYS 7 HB2 LYS 7 9.720 2.888 4.394 27 HB3 LYS 7 HB3 LYS 7 9.938 2.492 6.079 28 HG2 LYS 7 HG2 LYS 7 11.714 1.333 3.857 29 HG3 LYS 7 HG3 LYS 7 12.063 2.828 4.722 30 HD2 LYS 7 HD2 LYS 7 12.160 1.685 6.843 31 HD3 LYS 7 HD3 LYS 7 11.628 0.171 6.125 32 HE2 LYS 7 HE2 LYS 7 13.996 0.107 6.623 33 HE3 LYS 7 HE3 LYS 7 13.714 -0.059 4.891 34 HZ1 LYS 7 HZ1 LYS 7 14.592 2.063 4.514 35 HZ2 LYS 7 HZ2 LYS 7 15.565 1.465 5.652 36 HZ3 LYS 7 HZ3 LYS 7 14.448 2.548 6.094 37 H CYS 8 H CYS 8 7.376 1.369 3.107 38 HA CYS 8 HA CYS 8 5.375 2.711 4.566 39 HB2 CYS 8 HB2 CYS 8 5.694 2.564 2.044 40 HB3 CYS 8 HB3 CYS 8 4.972 0.961 2.111 41 H GLY 9 H GLY 9 6.227 -0.642 4.928 42 HA2 GLY 9 HA2 GLY 9 5.253 -2.271 6.212 43 HA3 GLY 9 HA3 GLY 9 3.947 -1.135 6.635 44 H CYS 10 H CYS 10 5.170 -2.143 3.452 45 HA CYS 10 HA CYS 10 2.547 -3.299 2.838 46 HB2 CYS 10 HB2 CYS 10 4.204 -1.501 1.002 47 HB3 CYS 10 HB3 CYS 10 2.781 -2.453 0.552 48 H ALA 11 H ALA 11 2.681 -4.818 0.915 49 HA ALA 11 HA ALA 11 4.729 -6.664 1.211 50 HB1 ALA 11 HB1 ALA 11 3.803 -7.704 -0.808 51 HB2 ALA 11 HB2 ALA 11 2.498 -7.144 0.252 52 HB3 ALA 11 HB3 ALA 11 2.923 -6.214 -1.204 53 H VAL 12 H VAL 12 6.419 -7.319 -0.377 54 HA VAL 12 HA VAL 12 7.508 -5.011 -1.916 55 HB VAL 12 HB VAL 12 8.995 -6.998 -0.181 56 HG11 VAL 12 HG11 VAL 12 10.335 -6.269 -2.146 57 HG12 VAL 12 HG12 VAL 12 10.022 -4.580 -1.719 58 HG13 VAL 12 HG13 VAL 12 10.970 -5.602 -0.636 59 HG21 VAL 12 HG21 VAL 12 8.379 -4.042 0.197 60 HG22 VAL 12 HG22 VAL 12 7.826 -5.383 1.225 61 HG23 VAL 12 HG23 VAL 12 9.534 -4.971 1.180 62 HA PRO 13 HA PRO 13 7.356 -4.528 -3.922 63 HB2 PRO 13 HB2 PRO 13 6.156 -4.715 -6.341 64 HB3 PRO 13 HB3 PRO 13 7.919 -4.960 -6.147 65 HG2 PRO 13 HG2 PRO 13 5.753 -7.080 -6.318 66 HG3 PRO 13 HG3 PRO 13 7.307 -6.992 -7.215 67 HD2 PRO 13 HD2 PRO 13 6.978 -8.479 -4.921 68 HD3 PRO 13 HD3 PRO 13 8.529 -7.698 -5.346 69 H CYS 14 H CYS 14 5.284 -3.296 -4.171 70 HA CYS 14 HA CYS 14 2.969 -4.807 -3.043 71 HB2 CYS 14 HB2 CYS 14 4.005 -2.806 -1.791 72 HB3 CYS 14 HB3 CYS 14 3.383 -1.807 -3.089 73 HA PRO 15 HA PRO 15 1.643 -4.036 -7.360 74 HB2 PRO 15 HB2 PRO 15 -0.857 -5.230 -7.257 75 HB3 PRO 15 HB3 PRO 15 0.697 -6.109 -7.483 76 HG2 PRO 15 HG2 PRO 15 -0.858 -5.611 -4.945 77 HG3 PRO 15 HG3 PRO 15 -0.165 -7.162 -5.546 78 HD2 PRO 15 HD2 PRO 15 1.127 -5.711 -3.682 79 HD3 PRO 15 HD3 PRO 15 2.043 -6.473 -5.028 80 H GLY 16 H GLY 16 0.211 -2.740 -4.504 81 HA2 GLY 16 HA2 GLY 16 -0.872 -0.687 -4.267 82 HA3 GLY 16 HA3 GLY 16 -0.870 -0.516 -6.011 83 H GLY 17 H GLY 17 -2.387 -3.174 -6.311 84 HA2 GLY 17 HA2 GLY 17 -5.076 -2.092 -5.846 85 HA3 GLY 17 HA3 GLY 17 -4.609 -3.518 -6.803 86 H THR 18 H THR 18 -5.695 -5.227 -5.920 87 HA THR 18 HA THR 18 -6.620 -5.536 -3.347 88 HB THR 18 HB THR 18 -6.558 -8.030 -3.967 89 HG1 THR 18 HG1 THR 18 -5.944 -8.500 -6.081 90 HG21 THR 18 HG21 THR 18 -8.466 -6.513 -4.493 91 HG22 THR 18 HG22 THR 18 -8.245 -7.774 -5.709 92 HG23 THR 18 HG23 THR 18 -7.708 -6.118 -6.050 93 H GLY 19 H GLY 19 -3.338 -6.136 -4.479 94 HA2 GLY 19 HA2 GLY 19 -2.507 -7.551 -2.079 95 HA3 GLY 19 HA3 GLY 19 -1.474 -7.038 -3.400 96 H CYS 20 H CYS 20 -3.396 -4.369 -2.314 97 HA CYS 20 HA CYS 20 -1.334 -3.519 -0.346 98 HB2 CYS 20 HB2 CYS 20 -1.109 -2.402 -2.639 99 HB3 CYS 20 HB3 CYS 20 -2.703 -1.707 -2.334 100 H ARG 21 H ARG 21 -2.192 -2.160 1.299 101 HA ARG 21 HA ARG 21 -5.173 -2.134 1.583 102 HB2 ARG 21 HB2 ARG 21 -4.888 -2.278 3.917 103 HB3 ARG 21 HB3 ARG 21 -4.051 -3.615 3.148 104 HG2 ARG 21 HG2 ARG 21 -1.996 -2.958 3.939 105 HG3 ARG 21 HG3 ARG 21 -2.320 -1.233 3.692 106 HD2 ARG 21 HD2 ARG 21 -3.697 -1.113 5.648 107 HD3 ARG 21 HD3 ARG 21 -3.583 -2.839 5.935 108 HE ARG 21 HE ARG 21 -1.540 -0.767 6.438 109 HH11 ARG 21 HH11 ARG 21 -2.145 -4.249 6.264 110 HH12 ARG 21 HH12 ARG 21 -1.287 -4.628 7.727 111 HH21 ARG 21 HH21 ARG 21 -0.139 -1.295 8.247 112 HH22 ARG 21 HH22 ARG 21 -0.045 -2.935 8.784 113 H CYS 22 H CYS 22 -2.819 -0.023 0.742 114 HA CYS 22 HA CYS 22 -3.327 2.098 2.623 115 HB2 CYS 22 HB2 CYS 22 -2.139 2.491 -0.110 116 HB3 CYS 22 HB3 CYS 22 -1.975 3.520 1.301 117 H THR 23 H THR 23 -5.169 1.126 -0.274 118 HA THR 23 HA THR 23 -6.445 3.808 -0.228 119 HB THR 23 HB THR 23 -5.525 3.003 -2.367 120 HG1 THR 23 HG1 THR 23 -8.203 3.692 -1.988 121 HG21 THR 23 HG21 THR 23 -6.902 1.473 -3.758 122 HG22 THR 23 HG22 THR 23 -7.755 0.942 -2.296 123 HG23 THR 23 HG23 THR 23 -6.005 0.663 -2.489 124 H SER 24 H SER 24 -6.778 1.000 1.449 125 HA SER 24 HA SER 24 -9.593 0.481 1.214 126 HB2 SER 24 HB2 SER 24 -7.565 -0.368 3.314 127 HB3 SER 24 HB3 SER 24 -9.114 -1.150 2.943 128 HG SER 24 HG SER 24 -8.315 -1.982 1.153 129 H ALA 25 H ALA 25 -9.977 2.972 1.529 130 HA ALA 25 HA ALA 25 -11.147 3.402 4.119 131 HB1 ALA 25 HB1 ALA 25 -9.945 5.492 4.633 132 HB2 ALA 25 HB2 ALA 25 -8.795 4.147 4.601 133 HB3 ALA 25 HB3 ALA 25 -8.891 5.273 3.226 134 H ARG 26 H ARG 26 -12.254 5.678 3.994 135 HA ARG 26 HA ARG 26 -12.916 6.456 1.200 136 HB2 ARG 26 HB2 ARG 26 -14.653 4.900 2.121 137 HB3 ARG 26 HB3 ARG 26 -14.891 6.016 3.471 138 HG2 ARG 26 HG2 ARG 26 -15.473 7.795 1.669 139 HG3 ARG 26 HG3 ARG 26 -15.566 6.422 0.542 140 HD2 ARG 26 HD2 ARG 26 -17.239 5.344 1.940 141 HD3 ARG 26 HD3 ARG 26 -17.146 6.639 3.133 142 HE ARG 26 HE ARG 26 -18.534 6.592 0.582 143 HH11 ARG 26 HH11 ARG 26 -17.164 8.772 3.041 144 HH12 ARG 26 HH12 ARG 26 -18.337 10.014 2.793 145 HH21 ARG 26 HH21 ARG 26 -20.034 8.271 0.210 146 HH22 ARG 26 HH22 ARG 26 -19.905 9.801 1.007 Start of MODEL 34 1 H1 GLY 1 H GLY 1 9.336 11.439 -4.780 2 HA2 GLY 1 HA2 GLY 1 9.735 9.095 -4.221 3 HA3 GLY 1 HA3 GLY 1 10.111 9.626 -2.563 4 H SER 2 H SER 2 7.567 8.597 -4.675 5 HA SER 2 HA SER 2 5.638 9.074 -2.526 6 HB2 SER 2 HB2 SER 2 5.157 10.146 -5.325 7 HB3 SER 2 HB3 SER 2 3.973 10.079 -4.009 8 HG SER 2 HG SER 2 5.998 11.218 -2.897 9 H GLY 3 H GLY 3 5.159 6.989 -2.133 10 HA2 GLY 3 HA2 GLY 3 3.614 5.455 -3.851 11 HA3 GLY 3 HA3 GLY 3 5.290 4.956 -4.155 12 H CYS 4 H CYS 4 5.398 2.992 -3.184 13 HA CYS 4 HA CYS 4 5.204 2.857 -0.280 14 HB2 CYS 4 HB2 CYS 4 3.505 1.183 -2.139 15 HB3 CYS 4 HB3 CYS 4 3.931 0.756 -0.474 16 H ASP 5 H ASP 5 7.065 2.095 0.043 17 HA ASP 5 HA ASP 5 8.100 -0.266 -1.459 18 HB2 ASP 5 HB2 ASP 5 9.574 1.725 0.312 19 HB3 ASP 5 HB3 ASP 5 10.289 0.554 -0.796 20 H ASP 6 H ASP 6 9.839 -1.211 0.145 21 HA ASP 6 HA ASP 6 8.587 -2.858 2.030 22 HB2 ASP 6 HB2 ASP 6 11.120 -3.101 2.769 23 HB3 ASP 6 HB3 ASP 6 10.589 -3.696 1.200 24 H LYS 7 H LYS 7 10.621 0.101 2.387 25 HA LYS 7 HA LYS 7 10.451 0.299 5.154 26 HB2 LYS 7 HB2 LYS 7 11.446 2.362 4.952 27 HB3 LYS 7 HB3 LYS 7 11.961 1.502 3.530 28 HG2 LYS 7 HG2 LYS 7 11.476 3.453 2.481 29 HG3 LYS 7 HG3 LYS 7 9.869 2.789 2.431 30 HD2 LYS 7 HD2 LYS 7 9.465 4.917 3.186 31 HD3 LYS 7 HD3 LYS 7 9.519 4.069 4.713 32 HE2 LYS 7 HE2 LYS 7 11.716 5.774 3.452 33 HE3 LYS 7 HE3 LYS 7 10.670 6.244 4.798 34 HZ1 LYS 7 HZ1 LYS 7 11.739 4.408 6.098 35 HZ2 LYS 7 HZ2 LYS 7 12.807 5.570 5.612 36 HZ3 LYS 7 HZ3 LYS 7 12.766 4.177 4.820 37 H CYS 8 H CYS 8 8.019 1.125 2.799 38 HA CYS 8 HA CYS 8 6.420 2.814 4.607 39 HB2 CYS 8 HB2 CYS 8 6.187 3.032 2.159 40 HB3 CYS 8 HB3 CYS 8 5.627 1.357 2.054 41 H GLY 9 H GLY 9 6.960 -0.640 4.275 42 HA2 GLY 9 HA2 GLY 9 6.291 -2.225 5.761 43 HA3 GLY 9 HA3 GLY 9 4.935 -1.236 6.301 44 H CYS 10 H CYS 10 5.065 -1.125 2.940 45 HA CYS 10 HA CYS 10 2.744 -2.871 2.796 46 HB2 CYS 10 HB2 CYS 10 4.085 -1.383 0.496 47 HB3 CYS 10 HB3 CYS 10 2.542 -2.263 0.492 48 H ALA 11 H ALA 11 2.643 -4.345 0.638 49 HA ALA 11 HA ALA 11 4.574 -6.423 0.899 50 HB1 ALA 11 HB1 ALA 11 3.461 -7.364 -1.075 51 HB2 ALA 11 HB2 ALA 11 2.253 -6.796 0.085 52 HB3 ALA 11 HB3 ALA 11 2.638 -5.830 -1.364 53 H VAL 12 H VAL 12 5.992 -7.113 -0.991 54 HA VAL 12 HA VAL 12 7.162 -4.758 -2.391 55 HB VAL 12 HB VAL 12 8.570 -7.049 -0.977 56 HG11 VAL 12 HG11 VAL 12 9.643 -4.850 -2.783 57 HG12 VAL 12 HG12 VAL 12 10.653 -5.642 -1.528 58 HG13 VAL 12 HG13 VAL 12 9.937 -6.591 -2.822 59 HG21 VAL 12 HG21 VAL 12 8.540 -4.071 -0.328 60 HG22 VAL 12 HG22 VAL 12 7.719 -5.344 0.597 61 HG23 VAL 12 HG23 VAL 12 9.461 -5.370 0.495 62 HA PRO 13 HA PRO 13 7.060 -4.054 -4.334 63 HB2 PRO 13 HB2 PRO 13 5.755 -3.811 -6.685 64 HB3 PRO 13 HB3 PRO 13 7.464 -4.355 -6.600 65 HG2 PRO 13 HG2 PRO 13 4.987 -6.056 -6.861 66 HG3 PRO 13 HG3 PRO 13 6.508 -6.161 -7.813 67 HD2 PRO 13 HD2 PRO 13 5.931 -7.757 -5.637 68 HD3 PRO 13 HD3 PRO 13 7.594 -7.284 -6.071 69 H CYS 14 H CYS 14 5.147 -2.509 -4.303 70 HA CYS 14 HA CYS 14 3.037 -3.687 -2.710 71 HB2 CYS 14 HB2 CYS 14 4.056 -1.498 -2.242 72 HB3 CYS 14 HB3 CYS 14 3.297 -0.828 -3.698 73 HA PRO 15 HA PRO 15 0.448 -4.600 -6.284 74 HB2 PRO 15 HB2 PRO 15 -1.907 -5.283 -4.977 75 HB3 PRO 15 HB3 PRO 15 -0.482 -6.342 -5.197 76 HG2 PRO 15 HG2 PRO 15 -1.192 -4.616 -2.804 77 HG3 PRO 15 HG3 PRO 15 -0.651 -6.326 -2.823 78 HD2 PRO 15 HD2 PRO 15 1.086 -4.363 -2.306 79 HD3 PRO 15 HD3 PRO 15 1.571 -5.729 -3.367 80 H GLY 16 H GLY 16 -0.174 -1.896 -4.257 81 HA2 GLY 16 HA2 GLY 16 -1.140 0.113 -4.777 82 HA3 GLY 16 HA3 GLY 16 -1.460 -0.495 -6.382 83 H GLY 17 H GLY 17 -3.369 -2.305 -6.257 84 HA2 GLY 17 HA2 GLY 17 -5.764 -0.879 -5.743 85 HA3 GLY 17 HA3 GLY 17 -5.615 -2.559 -6.239 86 H THR 18 H THR 18 -7.236 -3.454 -4.935 87 HA THR 18 HA THR 18 -7.938 -2.806 -2.372 88 HB THR 18 HB THR 18 -8.608 -5.376 -2.339 89 HG1 THR 18 HG1 THR 18 -7.431 -6.182 -4.075 90 HG21 THR 18 HG21 THR 18 -10.208 -3.553 -2.706 91 HG22 THR 18 HG22 THR 18 -10.516 -4.874 -3.841 92 HG23 THR 18 HG23 THR 18 -9.683 -3.398 -4.395 93 H GLY 19 H GLY 19 -5.223 -4.870 -3.324 94 HA2 GLY 19 HA2 GLY 19 -4.662 -5.884 -0.725 95 HA3 GLY 19 HA3 GLY 19 -3.539 -5.816 -2.092 96 H CYS 20 H CYS 20 -4.275 -2.564 -1.784 97 HA CYS 20 HA CYS 20 -1.918 -2.250 -0.138 98 HB2 CYS 20 HB2 CYS 20 -2.023 -0.968 -2.255 99 HB3 CYS 20 HB3 CYS 20 -3.365 -0.048 -1.579 100 H ARG 21 H ARG 21 -2.267 -2.307 2.013 101 HA ARG 21 HA ARG 21 -4.724 -1.197 3.196 102 HB2 ARG 21 HB2 ARG 21 -2.383 -2.669 4.470 103 HB3 ARG 21 HB3 ARG 21 -3.727 -1.968 5.353 104 HG2 ARG 21 HG2 ARG 21 -4.303 -4.189 5.218 105 HG3 ARG 21 HG3 ARG 21 -5.303 -3.426 3.979 106 HD2 ARG 21 HD2 ARG 21 -3.772 -4.234 2.229 107 HD3 ARG 21 HD3 ARG 21 -2.647 -4.840 3.456 108 HE ARG 21 HE ARG 21 -3.952 -6.666 3.837 109 HH11 ARG 21 HH11 ARG 21 -5.879 -4.437 1.810 110 HH12 ARG 21 HH12 ARG 21 -7.034 -5.627 1.382 111 HH21 ARG 21 HH21 ARG 21 -5.354 -8.299 3.042 112 HH22 ARG 21 HH22 ARG 21 -6.594 -7.914 1.905 113 H CYS 22 H CYS 22 -4.046 0.774 2.211 114 HA CYS 22 HA CYS 22 -2.729 2.573 4.197 115 HB2 CYS 22 HB2 CYS 22 -1.969 2.633 1.292 116 HB3 CYS 22 HB3 CYS 22 -1.534 3.866 2.462 117 H THR 23 H THR 23 -4.308 2.502 0.887 118 HA THR 23 HA THR 23 -5.278 5.163 1.224 119 HB THR 23 HB THR 23 -4.696 3.894 -0.932 120 HG1 THR 23 HG1 THR 23 -5.819 5.319 -1.963 121 HG21 THR 23 HG21 THR 23 -7.537 2.842 -0.618 122 HG22 THR 23 HG22 THR 23 -6.054 1.865 -0.610 123 HG23 THR 23 HG23 THR 23 -6.540 2.737 -2.072 124 H SER 24 H SER 24 -7.563 5.792 1.346 125 HA SER 24 HA SER 24 -8.890 4.367 3.439 126 HB2 SER 24 HB2 SER 24 -8.969 6.906 2.893 127 HB3 SER 24 HB3 SER 24 -10.254 6.472 1.755 128 HG SER 24 HG SER 24 -11.008 6.991 3.859 129 H ALA 25 H ALA 25 -9.668 2.435 3.043 130 HA ALA 25 HA ALA 25 -11.561 1.939 0.814 131 HB1 ALA 25 HB1 ALA 25 -10.709 -0.387 0.771 132 HB2 ALA 25 HB2 ALA 25 -9.414 0.765 0.358 133 HB3 ALA 25 HB3 ALA 25 -9.479 0.026 1.967 134 H ARG 26 H ARG 26 -12.916 -0.182 1.675 135 HA ARG 26 HA ARG 26 -13.198 -0.438 4.477 136 HB2 ARG 26 HB2 ARG 26 -15.432 0.528 4.720 137 HB3 ARG 26 HB3 ARG 26 -14.257 1.761 4.384 138 HG2 ARG 26 HG2 ARG 26 -14.970 1.908 2.026 139 HG3 ARG 26 HG3 ARG 26 -16.092 0.562 2.261 140 HD2 ARG 26 HD2 ARG 26 -17.303 1.916 4.005 141 HD3 ARG 26 HD3 ARG 26 -16.190 3.255 3.684 142 HE ARG 26 HE ARG 26 -17.318 3.802 1.822 143 HH11 ARG 26 HH11 ARG 26 -18.367 0.548 2.815 144 HH12 ARG 26 HH12 ARG 26 -19.598 0.375 1.627 145 HH21 ARG 26 HH21 ARG 26 -18.869 3.563 0.070 146 HH22 ARG 26 HH22 ARG 26 -19.877 2.149 0.029 Start of MODEL 35 1 H1 GLY 1 H GLY 1 7.763 10.847 -7.003 2 HA2 GLY 1 HA2 GLY 1 5.632 8.914 -7.730 3 HA3 GLY 1 HA3 GLY 1 7.319 8.463 -7.370 4 H SER 2 H SER 2 4.318 8.383 -5.994 5 HA SER 2 HA SER 2 5.412 8.426 -3.294 6 HB2 SER 2 HB2 SER 2 3.685 10.073 -2.509 7 HB3 SER 2 HB3 SER 2 4.901 10.780 -3.584 8 HG SER 2 HG SER 2 2.235 10.651 -3.893 9 H GLY 3 H GLY 3 3.624 7.841 -1.724 10 HA2 GLY 3 HA2 GLY 3 1.365 6.965 -1.407 11 HA3 GLY 3 HA3 GLY 3 1.515 6.107 -2.941 12 H CYS 4 H CYS 4 4.220 5.057 -2.659 13 HA CYS 4 HA CYS 4 4.339 3.749 -0.099 14 HB2 CYS 4 HB2 CYS 4 3.797 1.984 -2.504 15 HB3 CYS 4 HB3 CYS 4 4.109 1.563 -0.822 16 H ASP 5 H ASP 5 5.782 2.107 0.033 17 HA ASP 5 HA ASP 5 7.887 1.292 -1.632 18 HB2 ASP 5 HB2 ASP 5 9.529 2.040 0.151 19 HB3 ASP 5 HB3 ASP 5 8.853 3.374 -0.775 20 H ASP 6 H ASP 6 9.120 0.137 0.537 21 HA ASP 6 HA ASP 6 7.319 -1.950 1.469 22 HB2 ASP 6 HB2 ASP 6 9.518 -2.849 2.363 23 HB3 ASP 6 HB3 ASP 6 9.452 -2.631 0.609 24 H LYS 7 H LYS 7 9.480 0.554 2.929 25 HA LYS 7 HA LYS 7 9.144 0.099 5.602 26 HB2 LYS 7 HB2 LYS 7 9.207 2.870 4.325 27 HB3 LYS 7 HB3 LYS 7 9.617 2.469 5.994 28 HG2 LYS 7 HG2 LYS 7 11.443 0.924 5.065 29 HG3 LYS 7 HG3 LYS 7 11.081 1.616 3.479 30 HD2 LYS 7 HD2 LYS 7 12.934 2.813 4.216 31 HD3 LYS 7 HD3 LYS 7 11.585 3.921 4.498 32 HE2 LYS 7 HE2 LYS 7 11.600 3.355 6.899 33 HE3 LYS 7 HE3 LYS 7 12.828 2.102 6.620 34 HZ1 LYS 7 HZ1 LYS 7 14.370 3.832 5.965 35 HZ2 LYS 7 HZ2 LYS 7 13.810 4.126 7.467 36 HZ3 LYS 7 HZ3 LYS 7 13.251 5.005 6.203 37 H CYS 8 H CYS 8 6.903 1.654 3.464 38 HA CYS 8 HA CYS 8 4.936 2.794 5.013 39 HB2 CYS 8 HB2 CYS 8 5.036 2.869 2.571 40 HB3 CYS 8 HB3 CYS 8 4.807 1.122 2.479 41 H GLY 9 H GLY 9 5.647 -0.687 4.833 42 HA2 GLY 9 HA2 GLY 9 4.790 -2.301 6.277 43 HA3 GLY 9 HA3 GLY 9 3.400 -1.262 6.651 44 H CYS 10 H CYS 10 4.283 -1.567 3.366 45 HA CYS 10 HA CYS 10 1.759 -3.022 2.775 46 HB2 CYS 10 HB2 CYS 10 3.732 -1.444 1.099 47 HB3 CYS 10 HB3 CYS 10 2.431 -2.434 0.413 48 H ALA 11 H ALA 11 1.906 -4.647 0.966 49 HA ALA 11 HA ALA 11 3.785 -6.684 1.513 50 HB1 ALA 11 HB1 ALA 11 1.539 -7.035 0.469 51 HB2 ALA 11 HB2 ALA 11 2.106 -6.198 -1.001 52 HB3 ALA 11 HB3 ALA 11 2.842 -7.733 -0.515 53 H VAL 12 H VAL 12 5.542 -7.459 -0.023 54 HA VAL 12 HA VAL 12 6.610 -5.268 -1.717 55 HB VAL 12 HB VAL 12 8.278 -6.957 0.151 56 HG11 VAL 12 HG11 VAL 12 9.475 -6.146 -1.835 57 HG12 VAL 12 HG12 VAL 12 8.892 -4.496 -1.554 58 HG13 VAL 12 HG13 VAL 12 9.996 -5.271 -0.395 59 HG21 VAL 12 HG21 VAL 12 8.572 -4.823 1.420 60 HG22 VAL 12 HG22 VAL 12 7.224 -4.121 0.491 61 HG23 VAL 12 HG23 VAL 12 6.962 -5.517 1.560 62 HA PRO 13 HA PRO 13 6.880 -4.967 -3.765 63 HB2 PRO 13 HB2 PRO 13 5.743 -5.341 -6.200 64 HB3 PRO 13 HB3 PRO 13 7.482 -5.645 -5.904 65 HG2 PRO 13 HG2 PRO 13 5.224 -7.672 -5.938 66 HG3 PRO 13 HG3 PRO 13 6.806 -7.747 -6.785 67 HD2 PRO 13 HD2 PRO 13 6.382 -8.979 -4.377 68 HD3 PRO 13 HD3 PRO 13 7.958 -8.234 -4.786 69 H CYS 14 H CYS 14 4.928 -3.606 -4.201 70 HA CYS 14 HA CYS 14 2.491 -4.773 -2.962 71 HB2 CYS 14 HB2 CYS 14 3.442 -2.847 -1.889 72 HB3 CYS 14 HB3 CYS 14 3.467 -1.966 -3.414 73 HA PRO 15 HA PRO 15 0.916 -4.717 -7.153 74 HB2 PRO 15 HB2 PRO 15 -1.826 -4.889 -6.601 75 HB3 PRO 15 HB3 PRO 15 -0.688 -6.268 -6.630 76 HG2 PRO 15 HG2 PRO 15 -1.685 -4.713 -4.243 77 HG3 PRO 15 HG3 PRO 15 -1.417 -6.484 -4.400 78 HD2 PRO 15 HD2 PRO 15 0.351 -4.918 -3.138 79 HD3 PRO 15 HD3 PRO 15 0.872 -6.299 -4.150 80 H GLY 16 H GLY 16 -0.445 -2.530 -4.713 81 HA2 GLY 16 HA2 GLY 16 -0.235 -0.100 -5.171 82 HA3 GLY 16 HA3 GLY 16 -0.771 -0.405 -6.826 83 H GLY 17 H GLY 17 -2.865 -1.804 -6.920 84 HA2 GLY 17 HA2 GLY 17 -4.932 -0.615 -5.148 85 HA3 GLY 17 HA3 GLY 17 -5.129 -1.127 -6.831 86 H THR 18 H THR 18 -4.503 -3.511 -7.245 87 HA THR 18 HA THR 18 -6.197 -5.298 -6.212 88 HB THR 18 HB THR 18 -3.547 -6.211 -7.333 89 HG1 THR 18 HG1 THR 18 -3.812 -5.363 -9.196 90 HG21 THR 18 HG21 THR 18 -4.950 -7.556 -8.790 91 HG22 THR 18 HG22 THR 18 -6.421 -6.774 -8.177 92 HG23 THR 18 HG23 THR 18 -5.446 -7.810 -7.110 93 H GLY 19 H GLY 19 -5.667 -4.747 -3.718 94 HA2 GLY 19 HA2 GLY 19 -5.418 -6.474 -1.973 95 HA3 GLY 19 HA3 GLY 19 -3.848 -6.879 -2.672 96 H CYS 20 H CYS 20 -3.957 -3.544 -2.944 97 HA CYS 20 HA CYS 20 -2.166 -3.314 -0.617 98 HB2 CYS 20 HB2 CYS 20 -1.738 -2.006 -2.693 99 HB3 CYS 20 HB3 CYS 20 -3.211 -1.100 -2.352 100 H ARG 21 H ARG 21 -2.530 -2.051 1.271 101 HA ARG 21 HA ARG 21 -5.459 -1.520 1.762 102 HB2 ARG 21 HB2 ARG 21 -3.383 -2.528 3.743 103 HB3 ARG 21 HB3 ARG 21 -5.044 -2.080 4.124 104 HG2 ARG 21 HG2 ARG 21 -4.241 -4.343 2.241 105 HG3 ARG 21 HG3 ARG 21 -4.726 -4.535 3.924 106 HD2 ARG 21 HD2 ARG 21 -6.978 -3.733 3.457 107 HD3 ARG 21 HD3 ARG 21 -6.533 -3.282 1.811 108 HE ARG 21 HE ARG 21 -6.757 -5.388 1.074 109 HH11 ARG 21 HH11 ARG 21 -7.125 -5.488 4.614 110 HH12 ARG 21 HH12 ARG 21 -7.423 -7.181 4.659 111 HH21 ARG 21 HH21 ARG 21 -7.231 -7.634 1.127 112 HH22 ARG 21 HH22 ARG 21 -7.647 -8.341 2.667 113 H CYS 22 H CYS 22 -4.524 0.421 0.496 114 HA CYS 22 HA CYS 22 -3.895 2.445 2.615 115 HB2 CYS 22 HB2 CYS 22 -2.526 2.412 -0.081 116 HB3 CYS 22 HB3 CYS 22 -2.325 3.601 1.200 117 H THR 23 H THR 23 -4.709 2.165 -0.916 118 HA THR 23 HA THR 23 -5.521 4.785 -1.315 119 HB THR 23 HB THR 23 -6.672 3.878 -3.297 120 HG1 THR 23 HG1 THR 23 -7.563 2.035 -2.895 121 HG21 THR 23 HG21 THR 23 -4.203 4.125 -3.352 122 HG22 THR 23 HG22 THR 23 -4.792 2.816 -4.388 123 HG23 THR 23 HG23 THR 23 -4.027 2.430 -2.838 124 H SER 24 H SER 24 -7.311 2.222 0.289 125 HA SER 24 HA SER 24 -9.885 3.565 0.090 126 HB2 SER 24 HB2 SER 24 -9.691 1.127 0.165 127 HB3 SER 24 HB3 SER 24 -8.867 1.206 1.721 128 HG SER 24 HG SER 24 -11.543 1.786 1.031 129 H ALA 25 H ALA 25 -9.463 5.628 0.845 130 HA ALA 25 HA ALA 25 -8.314 6.106 3.531 131 HB1 ALA 25 HB1 ALA 25 -9.246 7.947 1.282 132 HB2 ALA 25 HB2 ALA 25 -8.632 8.503 2.855 133 HB3 ALA 25 HB3 ALA 25 -7.572 7.595 1.753 134 H ARG 26 H ARG 26 -9.788 5.506 5.042 135 HA ARG 26 HA ARG 26 -12.699 5.924 4.623 136 HB2 ARG 26 HB2 ARG 26 -11.129 4.501 6.825 137 HB3 ARG 26 HB3 ARG 26 -12.892 4.633 6.724 138 HG2 ARG 26 HG2 ARG 26 -12.995 3.270 4.762 139 HG3 ARG 26 HG3 ARG 26 -11.234 3.231 4.618 140 HD2 ARG 26 HD2 ARG 26 -12.067 1.136 5.641 141 HD3 ARG 26 HD3 ARG 26 -11.030 2.047 6.754 142 HE ARG 26 HE ARG 26 -13.769 2.761 7.123 143 HH11 ARG 26 HH11 ARG 26 -11.549 0.094 7.929 144 HH12 ARG 26 HH12 ARG 26 -12.455 -0.395 9.322 145 HH21 ARG 26 HH21 ARG 26 -14.826 2.235 8.989 146 HH22 ARG 26 HH22 ARG 26 -14.415 0.873 9.969 Start of MODEL 36 1 H1 GLY 1 H GLY 1 7.944 8.890 2.293 2 HA2 GLY 1 HA2 GLY 1 8.657 10.001 0.217 3 HA3 GLY 1 HA3 GLY 1 9.303 8.432 -0.296 4 H SER 2 H SER 2 7.706 9.509 -1.986 5 HA SER 2 HA SER 2 4.901 9.093 -1.728 6 HB2 SER 2 HB2 SER 2 6.261 10.564 -3.379 7 HB3 SER 2 HB3 SER 2 6.498 9.077 -4.317 8 HG SER 2 HG SER 2 4.422 10.720 -4.247 9 H GLY 3 H GLY 3 3.794 7.632 -3.470 10 HA2 GLY 3 HA2 GLY 3 3.115 5.507 -4.030 11 HA3 GLY 3 HA3 GLY 3 4.827 5.195 -4.394 12 H CYS 4 H CYS 4 5.412 3.315 -3.384 13 HA CYS 4 HA CYS 4 5.236 3.124 -0.494 14 HB2 CYS 4 HB2 CYS 4 3.701 1.223 -2.288 15 HB3 CYS 4 HB3 CYS 4 4.270 0.773 -0.677 16 H ASP 5 H ASP 5 7.153 2.404 0.013 17 HA ASP 5 HA ASP 5 8.644 0.554 -1.775 18 HB2 ASP 5 HB2 ASP 5 9.580 2.190 0.611 19 HB3 ASP 5 HB3 ASP 5 10.611 1.305 -0.512 20 H ASP 6 H ASP 6 10.071 -0.997 -0.197 21 HA ASP 6 HA ASP 6 8.285 -2.639 1.266 22 HB2 ASP 6 HB2 ASP 6 10.443 -3.506 0.523 23 HB3 ASP 6 HB3 ASP 6 11.307 -2.342 1.541 24 H LYS 7 H LYS 7 10.438 -0.042 2.389 25 HA LYS 7 HA LYS 7 10.002 -0.351 5.150 26 HB2 LYS 7 HB2 LYS 7 10.542 2.284 3.712 27 HB3 LYS 7 HB3 LYS 7 10.893 1.893 5.396 28 HG2 LYS 7 HG2 LYS 7 12.444 0.057 4.526 29 HG3 LYS 7 HG3 LYS 7 12.217 0.742 2.917 30 HD2 LYS 7 HD2 LYS 7 13.235 2.868 3.642 31 HD3 LYS 7 HD3 LYS 7 13.319 2.269 5.308 32 HE2 LYS 7 HE2 LYS 7 15.507 1.997 4.387 33 HE3 LYS 7 HE3 LYS 7 14.786 0.393 4.535 34 HZ1 LYS 7 HZ1 LYS 7 15.182 1.980 2.085 35 HZ2 LYS 7 HZ2 LYS 7 14.255 0.617 2.079 36 HZ3 LYS 7 HZ3 LYS 7 15.851 0.525 2.453 37 H CYS 8 H CYS 8 7.692 0.619 2.838 38 HA CYS 8 HA CYS 8 6.197 2.538 4.432 39 HB2 CYS 8 HB2 CYS 8 6.018 2.383 1.953 40 HB3 CYS 8 HB3 CYS 8 5.306 0.764 2.128 41 H GLY 9 H GLY 9 6.130 -1.092 4.290 42 HA2 GLY 9 HA2 GLY 9 5.022 -2.427 5.869 43 HA3 GLY 9 HA3 GLY 9 4.108 -1.020 6.450 44 H CYS 10 H CYS 10 4.640 -2.665 3.279 45 HA CYS 10 HA CYS 10 1.844 -3.134 2.792 46 HB2 CYS 10 HB2 CYS 10 3.519 -1.347 0.956 47 HB3 CYS 10 HB3 CYS 10 2.053 -2.203 0.472 48 H ALA 11 H ALA 11 1.727 -4.718 0.900 49 HA ALA 11 HA ALA 11 3.936 -6.470 0.828 50 HB1 ALA 11 HB1 ALA 11 1.802 -6.144 -1.334 51 HB2 ALA 11 HB2 ALA 11 2.824 -7.556 -1.069 52 HB3 ALA 11 HB3 ALA 11 1.624 -7.123 0.149 53 H VAL 12 H VAL 12 5.377 -7.001 -0.981 54 HA VAL 12 HA VAL 12 6.208 -4.599 -2.544 55 HB VAL 12 HB VAL 12 7.868 -6.807 -1.294 56 HG11 VAL 12 HG11 VAL 12 8.814 -4.224 -2.571 57 HG12 VAL 12 HG12 VAL 12 9.819 -5.516 -1.902 58 HG13 VAL 12 HG13 VAL 12 8.908 -5.817 -3.379 59 HG21 VAL 12 HG21 VAL 12 7.446 -3.888 -0.512 60 HG22 VAL 12 HG22 VAL 12 7.012 -5.319 0.451 61 HG23 VAL 12 HG23 VAL 12 8.704 -4.953 0.150 62 HA PRO 13 HA PRO 13 6.502 -3.897 -4.515 63 HB2 PRO 13 HB2 PRO 13 5.366 -3.570 -6.949 64 HB3 PRO 13 HB3 PRO 13 7.028 -4.220 -6.770 65 HG2 PRO 13 HG2 PRO 13 4.466 -5.754 -7.246 66 HG3 PRO 13 HG3 PRO 13 6.058 -5.966 -8.040 67 HD2 PRO 13 HD2 PRO 13 5.151 -7.465 -5.864 68 HD3 PRO 13 HD3 PRO 13 6.875 -7.202 -6.241 69 H CYS 14 H CYS 14 4.638 -2.251 -4.457 70 HA CYS 14 HA CYS 14 2.455 -3.462 -3.061 71 HB2 CYS 14 HB2 CYS 14 3.501 -1.050 -2.870 72 HB3 CYS 14 HB3 CYS 14 2.282 -0.624 -4.048 73 HA PRO 15 HA PRO 15 -0.183 -4.194 -6.621 74 HB2 PRO 15 HB2 PRO 15 -2.597 -4.604 -5.335 75 HB3 PRO 15 HB3 PRO 15 -1.276 -5.802 -5.403 76 HG2 PRO 15 HG2 PRO 15 -1.856 -3.842 -3.170 77 HG3 PRO 15 HG3 PRO 15 -1.535 -5.606 -3.058 78 HD2 PRO 15 HD2 PRO 15 0.427 -3.821 -2.644 79 HD3 PRO 15 HD3 PRO 15 0.767 -5.309 -3.569 80 H GLY 16 H GLY 16 -0.485 -1.485 -4.472 81 HA2 GLY 16 HA2 GLY 16 -1.041 0.689 -5.072 82 HA3 GLY 16 HA3 GLY 16 -1.731 0.114 -6.576 83 H GLY 17 H GLY 17 -3.774 -1.570 -5.843 84 HA2 GLY 17 HA2 GLY 17 -5.589 0.182 -4.189 85 HA3 GLY 17 HA3 GLY 17 -6.071 -0.819 -5.571 86 H THR 18 H THR 18 -6.161 -3.053 -5.432 87 HA THR 18 HA THR 18 -7.291 -4.131 -3.200 88 HB THR 18 HB THR 18 -5.756 -5.433 -5.503 89 HG1 THR 18 HG1 THR 18 -7.816 -5.308 -6.506 90 HG21 THR 18 HG21 THR 18 -8.023 -6.463 -3.749 91 HG22 THR 18 HG22 THR 18 -6.348 -7.074 -3.779 92 HG23 THR 18 HG23 THR 18 -7.370 -7.260 -5.197 93 H GLY 19 H GLY 19 -6.272 -4.126 -1.249 94 HA2 GLY 19 HA2 GLY 19 -4.903 -5.236 0.339 95 HA3 GLY 19 HA3 GLY 19 -3.777 -5.700 -0.932 96 H CYS 20 H CYS 20 -4.420 -2.409 -1.430 97 HA CYS 20 HA CYS 20 -1.868 -1.726 -0.172 98 HB2 CYS 20 HB2 CYS 20 -2.247 -1.033 -2.459 99 HB3 CYS 20 HB3 CYS 20 -3.516 0.069 -1.860 100 H ARG 21 H ARG 21 -2.729 -1.939 2.056 101 HA ARG 21 HA ARG 21 -5.017 -0.832 3.122 102 HB2 ARG 21 HB2 ARG 21 -4.138 -1.343 5.234 103 HB3 ARG 21 HB3 ARG 21 -3.513 -2.509 4.073 104 HG2 ARG 21 HG2 ARG 21 -1.341 -1.152 4.023 105 HG3 ARG 21 HG3 ARG 21 -1.999 -0.234 5.386 106 HD2 ARG 21 HD2 ARG 21 -2.395 -2.468 6.559 107 HD3 ARG 21 HD3 ARG 21 -1.580 -3.245 5.206 108 HE ARG 21 HE ARG 21 0.381 -2.839 6.197 109 HH11 ARG 21 HH11 ARG 21 -1.843 -0.470 7.691 110 HH12 ARG 21 HH12 ARG 21 -0.580 0.437 8.441 111 HH21 ARG 21 HH21 ARG 21 1.981 -1.815 7.425 112 HH22 ARG 21 HH22 ARG 21 1.678 -0.346 8.278 113 H CYS 22 H CYS 22 -2.964 1.201 1.843 114 HA CYS 22 HA CYS 22 -3.019 3.395 3.869 115 HB2 CYS 22 HB2 CYS 22 -1.992 3.513 1.045 116 HB3 CYS 22 HB3 CYS 22 -1.554 4.560 2.378 117 H THR 23 H THR 23 -4.986 2.191 1.290 118 HA THR 23 HA THR 23 -5.848 4.716 0.191 119 HB THR 23 HB THR 23 -5.690 2.436 -0.934 120 HG1 THR 23 HG1 THR 23 -6.764 3.673 -2.164 121 HG21 THR 23 HG21 THR 23 -7.524 0.879 -0.785 122 HG22 THR 23 HG22 THR 23 -8.324 1.848 0.464 123 HG23 THR 23 HG23 THR 23 -6.791 1.042 0.821 124 H SER 24 H SER 24 -8.410 4.864 0.098 125 HA SER 24 HA SER 24 -9.610 4.731 2.825 126 HB2 SER 24 HB2 SER 24 -10.854 6.876 1.820 127 HB3 SER 24 HB3 SER 24 -9.363 6.994 2.734 128 HG SER 24 HG SER 24 -9.705 8.026 0.446 129 H ALA 25 H ALA 25 -10.110 2.556 1.761 130 HA ALA 25 HA ALA 25 -11.893 2.505 -0.531 131 HB1 ALA 25 HB1 ALA 25 -11.233 0.364 1.537 132 HB2 ALA 25 HB2 ALA 25 -12.022 0.097 -0.024 133 HB3 ALA 25 HB3 ALA 25 -10.332 0.642 0.029 134 H ARG 26 H ARG 26 -14.028 1.424 -0.400 135 HA ARG 26 HA ARG 26 -16.206 1.565 0.136 136 HB2 ARG 26 HB2 ARG 26 -15.139 0.806 2.878 137 HB3 ARG 26 HB3 ARG 26 -16.818 0.698 2.405 138 HG2 ARG 26 HG2 ARG 26 -14.520 -0.848 1.099 139 HG3 ARG 26 HG3 ARG 26 -15.628 -1.489 2.309 140 HD2 ARG 26 HD2 ARG 26 -16.408 -0.538 -0.479 141 HD3 ARG 26 HD3 ARG 26 -16.278 -2.217 0.065 142 HE ARG 26 HE ARG 26 -18.028 -1.005 1.852 143 HH11 ARG 26 HH11 ARG 26 -18.149 -1.461 -1.695 144 HH12 ARG 26 HH12 ARG 26 -19.883 -1.240 -1.732 145 HH21 ARG 26 HH21 ARG 26 -20.155 -0.986 1.808 146 HH22 ARG 26 HH22 ARG 26 -21.079 -1.133 0.338 Start of MODEL 37 1 H1 GLY 1 H GLY 1 -1.435 9.525 -6.106 2 HA2 GLY 1 HA2 GLY 1 1.309 10.548 -6.574 3 HA3 GLY 1 HA3 GLY 1 -0.017 11.549 -5.940 4 H SER 2 H SER 2 1.364 8.235 -5.180 5 HA SER 2 HA SER 2 2.018 9.089 -2.465 6 HB2 SER 2 HB2 SER 2 -0.127 6.985 -2.975 7 HB3 SER 2 HB3 SER 2 0.626 7.359 -1.412 8 HG SER 2 HG SER 2 -0.302 9.635 -2.461 9 H GLY 3 H GLY 3 4.171 8.448 -2.977 10 HA2 GLY 3 HA2 GLY 3 4.749 5.958 -4.281 11 HA3 GLY 3 HA3 GLY 3 5.893 6.992 -3.428 12 H CYS 4 H CYS 4 6.478 4.461 -3.052 13 HA CYS 4 HA CYS 4 6.140 3.991 -0.265 14 HB2 CYS 4 HB2 CYS 4 5.035 1.894 -2.197 15 HB3 CYS 4 HB3 CYS 4 5.394 1.739 -0.475 16 H ASP 5 H ASP 5 7.139 1.740 0.234 17 HA ASP 5 HA ASP 5 9.128 0.544 -1.382 18 HB2 ASP 5 HB2 ASP 5 10.785 0.843 0.513 19 HB3 ASP 5 HB3 ASP 5 10.510 2.288 -0.451 20 H ASP 6 H ASP 6 10.001 -1.111 0.431 21 HA ASP 6 HA ASP 6 7.758 -2.717 1.312 22 HB2 ASP 6 HB2 ASP 6 9.576 -4.220 2.145 23 HB3 ASP 6 HB3 ASP 6 9.732 -3.779 0.431 24 H LYS 7 H LYS 7 10.289 -0.813 2.900 25 HA LYS 7 HA LYS 7 10.004 -1.376 5.567 26 HB2 LYS 7 HB2 LYS 7 10.339 1.467 4.570 27 HB3 LYS 7 HB3 LYS 7 11.019 0.702 6.014 28 HG2 LYS 7 HG2 LYS 7 12.652 -0.483 4.759 29 HG3 LYS 7 HG3 LYS 7 11.874 -0.116 3.216 30 HD2 LYS 7 HD2 LYS 7 13.782 1.248 3.393 31 HD3 LYS 7 HD3 LYS 7 12.377 2.291 3.477 32 HE2 LYS 7 HE2 LYS 7 13.828 1.297 5.974 33 HE3 LYS 7 HE3 LYS 7 14.399 2.693 5.061 34 HZ1 LYS 7 HZ1 LYS 7 13.056 3.489 6.812 35 HZ2 LYS 7 HZ2 LYS 7 11.789 2.534 6.455 36 HZ3 LYS 7 HZ3 LYS 7 12.215 3.735 5.432 37 H CYS 8 H CYS 8 8.061 0.738 3.614 38 HA CYS 8 HA CYS 8 6.449 2.173 5.275 39 HB2 CYS 8 HB2 CYS 8 6.575 2.235 2.795 40 HB3 CYS 8 HB3 CYS 8 5.755 0.659 2.738 41 H GLY 9 H GLY 9 6.286 -1.385 5.120 42 HA2 GLY 9 HA2 GLY 9 4.869 -2.772 6.370 43 HA3 GLY 9 HA3 GLY 9 3.943 -1.350 6.906 44 H CYS 10 H CYS 10 4.921 -2.820 3.812 45 HA CYS 10 HA CYS 10 2.162 -2.910 2.795 46 HB2 CYS 10 HB2 CYS 10 4.568 -1.555 1.483 47 HB3 CYS 10 HB3 CYS 10 3.177 -2.151 0.588 48 H ALA 11 H ALA 11 2.114 -4.425 0.854 49 HA ALA 11 HA ALA 11 3.754 -6.728 1.257 50 HB1 ALA 11 HB1 ALA 11 2.052 -5.829 -1.122 51 HB2 ALA 11 HB2 ALA 11 2.764 -7.438 -0.937 52 HB3 ALA 11 HB3 ALA 11 1.547 -6.881 0.226 53 H VAL 12 H VAL 12 5.242 -7.617 -0.464 54 HA VAL 12 HA VAL 12 6.668 -5.483 -1.946 55 HB VAL 12 HB VAL 12 8.205 -7.635 -0.484 56 HG11 VAL 12 HG11 VAL 12 9.984 -5.958 -0.702 57 HG12 VAL 12 HG12 VAL 12 9.236 -6.239 -2.276 58 HG13 VAL 12 HG13 VAL 12 8.827 -4.779 -1.367 59 HG21 VAL 12 HG21 VAL 12 7.414 -4.964 0.740 60 HG22 VAL 12 HG22 VAL 12 6.969 -6.572 1.354 61 HG23 VAL 12 HG23 VAL 12 8.655 -6.094 1.357 62 HA PRO 13 HA PRO 13 7.025 -5.119 -4.007 63 HB2 PRO 13 HB2 PRO 13 5.827 -5.160 -6.451 64 HB3 PRO 13 HB3 PRO 13 7.484 -5.784 -6.177 65 HG2 PRO 13 HG2 PRO 13 4.933 -7.377 -6.306 66 HG3 PRO 13 HG3 PRO 13 6.467 -7.675 -7.171 67 HD2 PRO 13 HD2 PRO 13 5.809 -8.938 -4.833 68 HD3 PRO 13 HD3 PRO 13 7.497 -8.491 -5.201 69 H CYS 14 H CYS 14 5.488 -3.429 -3.863 70 HA CYS 14 HA CYS 14 2.914 -4.206 -2.692 71 HB2 CYS 14 HB2 CYS 14 4.313 -2.420 -1.767 72 HB3 CYS 14 HB3 CYS 14 4.133 -1.486 -3.246 73 HA PRO 15 HA PRO 15 1.159 -3.812 -6.811 74 HB2 PRO 15 HB2 PRO 15 -1.475 -4.106 -6.315 75 HB3 PRO 15 HB3 PRO 15 -0.302 -5.440 -6.105 76 HG2 PRO 15 HG2 PRO 15 -1.333 -3.570 -3.948 77 HG3 PRO 15 HG3 PRO 15 -1.350 -5.365 -3.930 78 HD2 PRO 15 HD2 PRO 15 0.659 -4.006 -2.754 79 HD3 PRO 15 HD3 PRO 15 1.018 -5.475 -3.710 80 H GLY 16 H GLY 16 0.674 -1.522 -4.320 81 HA2 GLY 16 HA2 GLY 16 0.299 0.763 -4.391 82 HA3 GLY 16 HA3 GLY 16 0.283 0.648 -6.150 83 H GLY 17 H GLY 17 -1.923 -0.968 -6.591 84 HA2 GLY 17 HA2 GLY 17 -4.109 0.835 -6.494 85 HA3 GLY 17 HA3 GLY 17 -4.113 -0.851 -7.026 86 H THR 18 H THR 18 -6.122 -1.344 -6.116 87 HA THR 18 HA THR 18 -6.972 -0.725 -3.529 88 HB THR 18 HB THR 18 -7.744 -3.082 -5.303 89 HG1 THR 18 HG1 THR 18 -8.897 -1.700 -6.437 90 HG21 THR 18 HG21 THR 18 -9.292 -1.468 -3.226 91 HG22 THR 18 HG22 THR 18 -8.812 -3.172 -3.089 92 HG23 THR 18 HG23 THR 18 -9.998 -2.687 -4.308 93 H GLY 19 H GLY 19 -4.798 -3.331 -4.624 94 HA2 GLY 19 HA2 GLY 19 -4.989 -4.921 -2.245 95 HA3 GLY 19 HA3 GLY 19 -3.685 -4.958 -3.436 96 H CYS 20 H CYS 20 -3.539 -1.798 -2.683 97 HA CYS 20 HA CYS 20 -1.462 -2.296 -0.641 98 HB2 CYS 20 HB2 CYS 20 -1.080 -0.671 -2.555 99 HB3 CYS 20 HB3 CYS 20 -2.366 0.329 -1.895 100 H ARG 21 H ARG 21 -1.641 -0.972 1.468 101 HA ARG 21 HA ARG 21 -4.524 -0.549 2.231 102 HB2 ARG 21 HB2 ARG 21 -2.239 -1.548 3.956 103 HB3 ARG 21 HB3 ARG 21 -3.897 -1.292 4.459 104 HG2 ARG 21 HG2 ARG 21 -3.161 -3.336 2.319 105 HG3 ARG 21 HG3 ARG 21 -3.146 -3.676 4.045 106 HD2 ARG 21 HD2 ARG 21 -5.575 -2.859 4.131 107 HD3 ARG 21 HD3 ARG 21 -5.547 -2.862 2.365 108 HE ARG 21 HE ARG 21 -5.675 -5.161 2.370 109 HH11 ARG 21 HH11 ARG 21 -4.734 -4.182 5.693 110 HH12 ARG 21 HH12 ARG 21 -5.143 -5.726 6.359 111 HH21 ARG 21 HH21 ARG 21 -5.989 -7.166 3.227 112 HH22 ARG 21 HH22 ARG 21 -5.667 -7.536 4.902 113 H CYS 22 H CYS 22 -2.831 1.503 1.070 114 HA CYS 22 HA CYS 22 -2.166 3.220 3.433 115 HB2 CYS 22 HB2 CYS 22 -1.180 3.392 0.600 116 HB3 CYS 22 HB3 CYS 22 -0.715 4.428 1.945 117 H THR 23 H THR 23 -4.700 3.025 1.040 118 HA THR 23 HA THR 23 -5.223 5.917 1.574 119 HB THR 23 HB THR 23 -4.205 5.563 -0.699 120 HG1 THR 23 HG1 THR 23 -5.497 7.385 -0.247 121 HG21 THR 23 HG21 THR 23 -5.671 4.797 -2.525 122 HG22 THR 23 HG22 THR 23 -6.887 4.259 -1.351 123 HG23 THR 23 HG23 THR 23 -5.300 3.485 -1.407 124 H SER 24 H SER 24 -7.646 6.339 0.704 125 HA SER 24 HA SER 24 -9.303 5.039 2.589 126 HB2 SER 24 HB2 SER 24 -10.157 6.789 0.257 127 HB3 SER 24 HB3 SER 24 -11.004 6.521 1.785 128 HG SER 24 HG SER 24 -8.761 8.095 1.198 129 H ALA 25 H ALA 25 -8.267 3.395 -0.009 130 HA ALA 25 HA ALA 25 -10.729 2.555 -1.300 131 HB1 ALA 25 HB1 ALA 25 -8.533 2.256 -2.400 132 HB2 ALA 25 HB2 ALA 25 -8.008 1.172 -1.088 133 HB3 ALA 25 HB3 ALA 25 -9.340 0.691 -2.158 134 H ARG 26 H ARG 26 -12.193 0.955 -0.536 135 HA ARG 26 HA ARG 26 -11.381 -0.616 1.819 136 HB2 ARG 26 HB2 ARG 26 -12.518 1.392 2.689 137 HB3 ARG 26 HB3 ARG 26 -13.951 1.022 1.702 138 HG2 ARG 26 HG2 ARG 26 -14.288 -1.072 2.915 139 HG3 ARG 26 HG3 ARG 26 -12.747 -0.842 3.776 140 HD2 ARG 26 HD2 ARG 26 -13.611 1.044 4.990 141 HD3 ARG 26 HD3 ARG 26 -15.077 1.065 4.013 142 HE ARG 26 HE ARG 26 -14.442 -0.759 6.229 143 HH11 ARG 26 HH11 ARG 26 -16.709 -0.155 3.506 144 HH12 ARG 26 HH12 ARG 26 -18.019 -0.906 4.314 145 HH21 ARG 26 HH21 ARG 26 -16.092 -1.803 7.176 146 HH22 ARG 26 HH22 ARG 26 -17.676 -1.961 6.461 Start of MODEL 38 1 H1 GLY 1 H GLY 1 7.323 9.275 -7.057 2 HA2 GLY 1 HA2 GLY 1 7.125 8.208 -4.900 3 HA3 GLY 1 HA3 GLY 1 7.999 9.737 -4.744 4 H SER 2 H SER 2 4.726 8.319 -4.572 5 HA SER 2 HA SER 2 4.115 9.672 -2.106 6 HB2 SER 2 HB2 SER 2 3.431 11.373 -3.857 7 HB3 SER 2 HB3 SER 2 2.381 10.142 -4.574 8 HG SER 2 HG SER 2 2.200 11.437 -2.034 9 H GLY 3 H GLY 3 2.946 8.171 -1.001 10 HA2 GLY 3 HA2 GLY 3 1.175 6.481 -0.935 11 HA3 GLY 3 HA3 GLY 3 1.789 5.827 -2.468 12 H CYS 4 H CYS 4 1.829 3.869 -0.966 13 HA CYS 4 HA CYS 4 3.965 3.760 1.042 14 HB2 CYS 4 HB2 CYS 4 2.533 1.474 -0.338 15 HB3 CYS 4 HB3 CYS 4 3.354 1.410 1.197 16 H ASP 5 H ASP 5 5.594 1.886 0.896 17 HA ASP 5 HA ASP 5 6.601 1.114 -1.689 18 HB2 ASP 5 HB2 ASP 5 8.109 2.839 0.328 19 HB3 ASP 5 HB3 ASP 5 8.906 1.889 -0.944 20 H ASP 6 H ASP 6 8.627 -0.397 -0.960 21 HA ASP 6 HA ASP 6 7.670 -2.516 0.601 22 HB2 ASP 6 HB2 ASP 6 9.988 -3.318 0.549 23 HB3 ASP 6 HB3 ASP 6 9.494 -2.699 -1.034 24 H LYS 7 H LYS 7 9.853 0.146 1.554 25 HA LYS 7 HA LYS 7 10.388 -0.522 4.177 26 HB2 LYS 7 HB2 LYS 7 10.668 1.950 4.558 27 HB3 LYS 7 HB3 LYS 7 11.510 1.327 3.155 28 HG2 LYS 7 HG2 LYS 7 9.767 2.229 1.661 29 HG3 LYS 7 HG3 LYS 7 8.867 2.824 3.068 30 HD2 LYS 7 HD2 LYS 7 10.027 4.695 2.224 31 HD3 LYS 7 HD3 LYS 7 10.940 4.194 3.657 32 HE2 LYS 7 HE2 LYS 7 12.440 2.867 2.016 33 HE3 LYS 7 HE3 LYS 7 11.651 3.793 0.725 34 HZ1 LYS 7 HZ1 LYS 7 13.249 4.792 2.986 35 HZ2 LYS 7 HZ2 LYS 7 12.392 5.811 2.002 36 HZ3 LYS 7 HZ3 LYS 7 13.629 4.895 1.395 37 H CYS 8 H CYS 8 7.396 0.588 2.911 38 HA CYS 8 HA CYS 8 6.248 1.577 5.365 39 HB2 CYS 8 HB2 CYS 8 5.623 2.172 2.969 40 HB3 CYS 8 HB3 CYS 8 4.823 0.574 2.895 41 H GLY 9 H GLY 9 6.992 -1.716 4.590 42 HA2 GLY 9 HA2 GLY 9 6.313 -3.640 5.594 43 HA3 GLY 9 HA3 GLY 9 5.360 -2.665 6.745 44 H CYS 10 H CYS 10 5.263 -2.610 3.209 45 HA CYS 10 HA CYS 10 2.498 -3.505 3.294 46 HB2 CYS 10 HB2 CYS 10 3.662 -1.379 1.475 47 HB3 CYS 10 HB3 CYS 10 2.063 -2.140 1.250 48 H ALA 11 H ALA 11 1.853 -4.651 1.203 49 HA ALA 11 HA ALA 11 3.724 -6.631 0.499 50 HB1 ALA 11 HB1 ALA 11 1.242 -5.615 -0.957 51 HB2 ALA 11 HB2 ALA 11 2.080 -7.116 -1.337 52 HB3 ALA 11 HB3 ALA 11 1.294 -6.935 0.242 53 H VAL 12 H VAL 12 4.748 -6.987 -1.645 54 HA VAL 12 HA VAL 12 5.489 -4.455 -3.019 55 HB VAL 12 HB VAL 12 7.352 -6.748 -2.279 56 HG11 VAL 12 HG11 VAL 12 7.829 -4.071 -3.680 57 HG12 VAL 12 HG12 VAL 12 9.103 -5.180 -3.155 58 HG13 VAL 12 HG13 VAL 12 7.967 -5.680 -4.414 59 HG21 VAL 12 HG21 VAL 12 7.133 -3.914 -1.173 60 HG22 VAL 12 HG22 VAL 12 6.849 -5.422 -0.274 61 HG23 VAL 12 HG23 VAL 12 8.467 -5.043 -0.844 62 HA PRO 13 HA PRO 13 4.869 -3.640 -4.919 63 HB2 PRO 13 HB2 PRO 13 2.680 -3.451 -6.550 64 HB3 PRO 13 HB3 PRO 13 4.315 -3.850 -7.172 65 HG2 PRO 13 HG2 PRO 13 2.048 -5.751 -6.494 66 HG3 PRO 13 HG3 PRO 13 3.046 -5.693 -7.993 67 HD2 PRO 13 HD2 PRO 13 3.585 -7.410 -5.918 68 HD3 PRO 13 HD3 PRO 13 4.910 -6.666 -6.869 69 H CYS 14 H CYS 14 3.116 -2.072 -4.225 70 HA CYS 14 HA CYS 14 1.466 -3.244 -2.100 71 HB2 CYS 14 HB2 CYS 14 2.757 -1.095 -1.786 72 HB3 CYS 14 HB3 CYS 14 1.675 -0.317 -2.916 73 HA PRO 15 HA PRO 15 -1.580 -3.430 -5.521 74 HB2 PRO 15 HB2 PRO 15 -3.678 -4.618 -4.149 75 HB3 PRO 15 HB3 PRO 15 -2.291 -5.502 -4.838 76 HG2 PRO 15 HG2 PRO 15 -2.672 -4.517 -2.010 77 HG3 PRO 15 HG3 PRO 15 -2.143 -6.146 -2.563 78 HD2 PRO 15 HD2 PRO 15 -0.346 -4.324 -1.755 79 HD3 PRO 15 HD3 PRO 15 -0.025 -5.349 -3.191 80 H GLY 16 H GLY 16 -1.883 -1.780 -2.477 81 HA2 GLY 16 HA2 GLY 16 -2.963 0.226 -2.001 82 HA3 GLY 16 HA3 GLY 16 -3.553 0.261 -3.658 83 H GLY 17 H GLY 17 -4.929 -2.355 -3.510 84 HA2 GLY 17 HA2 GLY 17 -7.394 -1.511 -2.236 85 HA3 GLY 17 HA3 GLY 17 -7.123 -2.942 -3.251 86 H THR 18 H THR 18 -7.923 -4.573 -2.070 87 HA THR 18 HA THR 18 -8.145 -4.782 0.662 88 HB THR 18 HB THR 18 -7.731 -7.152 -1.183 89 HG1 THR 18 HG1 THR 18 -9.932 -6.897 -1.717 90 HG21 THR 18 HG21 THR 18 -9.503 -8.148 0.187 91 HG22 THR 18 HG22 THR 18 -9.692 -6.621 1.083 92 HG23 THR 18 HG23 THR 18 -8.196 -7.563 1.232 93 H GLY 19 H GLY 19 -5.418 -5.872 -1.405 94 HA2 GLY 19 HA2 GLY 19 -3.954 -7.056 0.731 95 HA3 GLY 19 HA3 GLY 19 -3.326 -6.623 -0.852 96 H CYS 20 H CYS 20 -4.733 -3.804 0.692 97 HA CYS 20 HA CYS 20 -2.076 -3.126 1.827 98 HB2 CYS 20 HB2 CYS 20 -2.472 -1.852 -0.275 99 HB3 CYS 20 HB3 CYS 20 -3.884 -1.110 0.542 100 H ARG 21 H ARG 21 -2.160 -3.107 3.858 101 HA ARG 21 HA ARG 21 -4.695 -2.742 5.338 102 HB2 ARG 21 HB2 ARG 21 -1.825 -2.840 6.394 103 HB3 ARG 21 HB3 ARG 21 -3.277 -3.033 7.374 104 HG2 ARG 21 HG2 ARG 21 -3.761 -5.200 6.451 105 HG3 ARG 21 HG3 ARG 21 -2.583 -4.988 5.146 106 HD2 ARG 21 HD2 ARG 21 -1.516 -6.387 6.754 107 HD3 ARG 21 HD3 ARG 21 -0.768 -4.790 6.833 108 HE ARG 21 HE ARG 21 -2.963 -5.464 8.718 109 HH11 ARG 21 HH11 ARG 21 0.549 -4.937 8.309 110 HH12 ARG 21 HH12 ARG 21 0.823 -4.708 10.012 111 HH21 ARG 21 HH21 ARG 21 -2.556 -5.274 10.956 112 HH22 ARG 21 HH22 ARG 21 -0.978 -4.900 11.537 113 H CYS 22 H CYS 22 -2.708 -0.543 4.023 114 HA CYS 22 HA CYS 22 -3.809 1.632 5.637 115 HB2 CYS 22 HB2 CYS 22 -1.594 2.699 5.856 116 HB3 CYS 22 HB3 CYS 22 -1.760 1.169 6.731 117 H THR 23 H THR 23 -5.060 1.815 3.889 118 HA THR 23 HA THR 23 -3.904 2.746 1.306 119 HB THR 23 HB THR 23 -5.172 0.653 1.153 120 HG1 THR 23 HG1 THR 23 -5.972 1.251 -0.597 121 HG21 THR 23 HG21 THR 23 -7.597 0.570 1.461 122 HG22 THR 23 HG22 THR 23 -7.590 2.201 2.170 123 HG23 THR 23 HG23 THR 23 -6.778 0.851 3.000 124 H SER 24 H SER 24 -5.989 4.265 0.376 125 HA SER 24 HA SER 24 -6.807 6.107 2.556 126 HB2 SER 24 HB2 SER 24 -5.379 7.063 0.064 127 HB3 SER 24 HB3 SER 24 -6.046 8.071 1.356 128 HG SER 24 HG SER 24 -3.803 7.760 1.437 129 H ALA 25 H ALA 25 -6.926 5.887 -1.059 130 HA ALA 25 HA ALA 25 -9.874 5.732 -0.976 131 HB1 ALA 25 HB1 ALA 25 -8.505 7.824 -2.710 132 HB2 ALA 25 HB2 ALA 25 -10.230 7.513 -2.537 133 HB3 ALA 25 HB3 ALA 25 -9.349 8.177 -1.168 134 H ARG 26 H ARG 26 -10.666 5.463 -3.431 135 HA ARG 26 HA ARG 26 -8.681 3.882 -4.982 136 HB2 ARG 26 HB2 ARG 26 -10.114 2.393 -3.576 137 HB3 ARG 26 HB3 ARG 26 -11.560 3.087 -4.316 138 HG2 ARG 26 HG2 ARG 26 -10.881 2.256 -6.527 139 HG3 ARG 26 HG3 ARG 26 -9.321 1.730 -5.873 140 HD2 ARG 26 HD2 ARG 26 -10.477 0.121 -4.393 141 HD3 ARG 26 HD3 ARG 26 -12.036 0.630 -5.036 142 HE ARG 26 HE ARG 26 -9.872 -0.858 -6.379 143 HH11 ARG 26 HH11 ARG 26 -13.107 0.598 -6.794 144 HH12 ARG 26 HH12 ARG 26 -13.574 -0.480 -8.079 145 HH21 ARG 26 HH21 ARG 26 -10.501 -2.186 -8.203 146 HH22 ARG 26 HH22 ARG 26 -12.149 -2.233 -8.694 Start of MODEL 39 1 H1 GLY 1 H GLY 1 1.098 11.011 -8.652 2 HA2 GLY 1 HA2 GLY 1 -0.159 8.975 -8.602 3 HA3 GLY 1 HA3 GLY 1 1.398 8.654 -9.369 4 H SER 2 H SER 2 2.731 7.036 -8.459 5 HA SER 2 HA SER 2 1.703 5.380 -6.363 6 HB2 SER 2 HB2 SER 2 3.986 4.260 -6.924 7 HB3 SER 2 HB3 SER 2 2.780 4.358 -8.216 8 HG SER 2 HG SER 2 4.861 5.034 -8.914 9 H GLY 3 H GLY 3 3.776 4.609 -4.784 10 HA2 GLY 3 HA2 GLY 3 5.722 5.950 -3.690 11 HA3 GLY 3 HA3 GLY 3 4.439 7.067 -3.230 12 H CYS 4 H CYS 4 6.124 4.239 -2.341 13 HA CYS 4 HA CYS 4 4.759 3.971 0.172 14 HB2 CYS 4 HB2 CYS 4 4.504 1.796 -1.927 15 HB3 CYS 4 HB3 CYS 4 4.454 1.435 -0.216 16 H ASP 5 H ASP 5 6.187 3.137 1.657 17 HA ASP 5 HA ASP 5 8.720 2.153 0.584 18 HB2 ASP 5 HB2 ASP 5 7.857 2.682 3.430 19 HB3 ASP 5 HB3 ASP 5 9.507 2.564 2.805 20 H ASP 6 H ASP 6 9.610 0.356 1.820 21 HA ASP 6 HA ASP 6 8.013 -1.986 1.638 22 HB2 ASP 6 HB2 ASP 6 10.095 -3.037 2.236 23 HB3 ASP 6 HB3 ASP 6 10.487 -1.687 1.164 24 H LYS 7 H LYS 7 9.151 0.077 4.301 25 HA LYS 7 HA LYS 7 8.041 -1.735 6.348 26 HB2 LYS 7 HB2 LYS 7 9.116 1.086 6.690 27 HB3 LYS 7 HB3 LYS 7 8.729 -0.033 7.982 28 HG2 LYS 7 HG2 LYS 7 10.922 -0.437 5.916 29 HG3 LYS 7 HG3 LYS 7 11.165 0.187 7.526 30 HD2 LYS 7 HD2 LYS 7 10.065 -2.608 6.990 31 HD3 LYS 7 HD3 LYS 7 11.776 -2.225 7.146 32 HE2 LYS 7 HE2 LYS 7 11.349 -1.259 9.430 33 HE3 LYS 7 HE3 LYS 7 9.673 -1.829 9.300 34 HZ1 LYS 7 HZ1 LYS 7 10.969 -3.451 10.480 35 HZ2 LYS 7 HZ2 LYS 7 12.063 -3.554 9.263 36 HZ3 LYS 7 HZ3 LYS 7 10.561 -4.106 9.017 37 H CYS 8 H CYS 8 6.680 0.712 4.268 38 HA CYS 8 HA CYS 8 4.792 1.770 6.101 39 HB2 CYS 8 HB2 CYS 8 3.996 2.928 4.390 40 HB3 CYS 8 HB3 CYS 8 5.500 2.444 3.634 41 H GLY 9 H GLY 9 5.010 -1.443 5.078 42 HA2 GLY 9 HA2 GLY 9 3.552 -3.128 5.699 43 HA3 GLY 9 HA3 GLY 9 2.224 -1.969 5.862 44 H CYS 10 H CYS 10 4.376 -2.021 3.002 45 HA CYS 10 HA CYS 10 2.187 -3.224 1.386 46 HB2 CYS 10 HB2 CYS 10 4.002 -0.896 0.603 47 HB3 CYS 10 HB3 CYS 10 3.085 -1.881 -0.512 48 H ALA 11 H ALA 11 2.834 -4.486 -0.314 49 HA ALA 11 HA ALA 11 5.299 -5.875 0.008 50 HB1 ALA 11 HB1 ALA 11 3.453 -5.788 -2.429 51 HB2 ALA 11 HB2 ALA 11 4.653 -7.038 -2.050 52 HB3 ALA 11 HB3 ALA 11 3.221 -6.851 -1.021 53 H VAL 12 H VAL 12 7.020 -6.000 -1.744 54 HA VAL 12 HA VAL 12 7.505 -3.343 -2.994 55 HB VAL 12 HB VAL 12 9.475 -5.120 -1.534 56 HG11 VAL 12 HG11 VAL 12 10.960 -3.120 -1.682 57 HG12 VAL 12 HG12 VAL 12 10.562 -3.775 -3.260 58 HG13 VAL 12 HG13 VAL 12 9.734 -2.304 -2.702 59 HG21 VAL 12 HG21 VAL 12 9.565 -3.480 0.160 60 HG22 VAL 12 HG22 VAL 12 8.293 -2.478 -0.609 61 HG23 VAL 12 HG23 VAL 12 7.930 -4.082 0.093 62 HA PRO 13 HA PRO 13 7.761 -2.589 -4.986 63 HB2 PRO 13 HB2 PRO 13 6.667 -2.717 -7.488 64 HB3 PRO 13 HB3 PRO 13 8.431 -2.680 -7.198 65 HG2 PRO 13 HG2 PRO 13 6.663 -5.093 -7.724 66 HG3 PRO 13 HG3 PRO 13 8.245 -4.691 -8.453 67 HD2 PRO 13 HD2 PRO 13 7.952 -6.429 -6.351 68 HD3 PRO 13 HD3 PRO 13 9.405 -5.406 -6.534 69 H CYS 14 H CYS 14 5.713 -1.577 -4.680 70 HA CYS 14 HA CYS 14 3.604 -3.294 -3.676 71 HB2 CYS 14 HB2 CYS 14 4.253 -1.055 -2.818 72 HB3 CYS 14 HB3 CYS 14 3.662 -0.328 -4.306 73 HA PRO 15 HA PRO 15 1.526 -3.673 -7.669 74 HB2 PRO 15 HB2 PRO 15 -0.853 -4.772 -7.014 75 HB3 PRO 15 HB3 PRO 15 0.693 -5.631 -6.749 76 HG2 PRO 15 HG2 PRO 15 -0.916 -4.065 -4.711 77 HG3 PRO 15 HG3 PRO 15 -0.264 -5.722 -4.570 78 HD2 PRO 15 HD2 PRO 15 1.063 -3.516 -3.589 79 HD3 PRO 15 HD3 PRO 15 1.929 -4.928 -4.258 80 H GLY 16 H GLY 16 -0.283 -1.993 -5.094 81 HA2 GLY 16 HA2 GLY 16 -1.244 0.175 -5.321 82 HA3 GLY 16 HA3 GLY 16 -1.339 -0.035 -7.063 83 H GLY 17 H GLY 17 -2.554 -2.855 -6.527 84 HA2 GLY 17 HA2 GLY 17 -5.339 -2.007 -6.537 85 HA3 GLY 17 HA3 GLY 17 -4.707 -3.663 -6.682 86 H THR 18 H THR 18 -6.450 -4.247 -5.153 87 HA THR 18 HA THR 18 -6.795 -3.289 -2.593 88 HB THR 18 HB THR 18 -8.206 -4.804 -3.892 89 HG1 THR 18 HG1 THR 18 -9.034 -4.977 -2.015 90 HG21 THR 18 HG21 THR 18 -7.924 -7.183 -3.899 91 HG22 THR 18 HG22 THR 18 -6.461 -7.092 -2.904 92 HG23 THR 18 HG23 THR 18 -6.454 -6.487 -4.573 93 H GLY 19 H GLY 19 -4.197 -5.437 -3.729 94 HA2 GLY 19 HA2 GLY 19 -3.282 -6.420 -1.250 95 HA3 GLY 19 HA3 GLY 19 -2.270 -6.165 -2.690 96 H CYS 20 H CYS 20 -3.298 -3.147 -2.439 97 HA CYS 20 HA CYS 20 -1.035 -2.339 -0.676 98 HB2 CYS 20 HB2 CYS 20 -1.287 -1.197 -2.906 99 HB3 CYS 20 HB3 CYS 20 -2.847 -0.605 -2.381 100 H ARG 21 H ARG 21 -1.562 -1.231 1.317 101 HA ARG 21 HA ARG 21 -4.491 -1.046 2.027 102 HB2 ARG 21 HB2 ARG 21 -2.080 -1.772 3.721 103 HB3 ARG 21 HB3 ARG 21 -3.711 -1.579 4.352 104 HG2 ARG 21 HG2 ARG 21 -2.900 -3.654 2.256 105 HG3 ARG 21 HG3 ARG 21 -2.974 -3.958 3.981 106 HD2 ARG 21 HD2 ARG 21 -5.351 -3.057 2.306 107 HD3 ARG 21 HD3 ARG 21 -4.989 -4.737 2.730 108 HE ARG 21 HE ARG 21 -4.979 -3.629 5.165 109 HH11 ARG 21 HH11 ARG 21 -7.402 -3.645 2.569 110 HH12 ARG 21 HH12 ARG 21 -8.740 -3.291 3.592 111 HH21 ARG 21 HH21 ARG 21 -6.716 -3.103 6.557 112 HH22 ARG 21 HH22 ARG 21 -8.352 -3.131 5.967 113 H CYS 22 H CYS 22 -3.342 1.189 0.740 114 HA CYS 22 HA CYS 22 -3.304 3.113 3.011 115 HB2 CYS 22 HB2 CYS 22 -1.565 3.909 0.804 116 HB3 CYS 22 HB3 CYS 22 -1.367 4.134 2.510 117 H THR 23 H THR 23 -4.933 2.266 0.204 118 HA THR 23 HA THR 23 -5.333 4.933 -0.883 119 HB THR 23 HB THR 23 -7.332 3.733 -1.983 120 HG1 THR 23 HG1 THR 23 -7.330 1.500 -1.847 121 HG21 THR 23 HG21 THR 23 -5.865 2.513 -3.559 122 HG22 THR 23 HG22 THR 23 -4.519 2.580 -2.410 123 HG23 THR 23 HG23 THR 23 -5.138 4.056 -3.104 124 H SER 24 H SER 24 -6.584 2.905 1.624 125 HA SER 24 HA SER 24 -7.875 3.024 3.332 126 HB2 SER 24 HB2 SER 24 -7.264 5.981 3.211 127 HB3 SER 24 HB3 SER 24 -7.837 5.096 4.635 128 HG SER 24 HG SER 24 -5.368 5.400 3.937 129 H ALA 25 H ALA 25 -9.248 4.144 0.550 130 HA ALA 25 HA ALA 25 -11.655 5.317 1.536 131 HB1 ALA 25 HB1 ALA 25 -12.541 4.804 -0.718 132 HB2 ALA 25 HB2 ALA 25 -10.916 5.501 -0.821 133 HB3 ALA 25 HB3 ALA 25 -11.151 3.747 -1.035 134 H ARG 26 H ARG 26 -13.831 4.318 1.441 135 HA ARG 26 HA ARG 26 -13.912 1.449 2.223 136 HB2 ARG 26 HB2 ARG 26 -15.462 3.837 3.332 137 HB3 ARG 26 HB3 ARG 26 -15.911 2.164 3.633 138 HG2 ARG 26 HG2 ARG 26 -13.185 3.282 4.381 139 HG3 ARG 26 HG3 ARG 26 -14.573 3.353 5.465 140 HD2 ARG 26 HD2 ARG 26 -14.643 1.025 5.790 141 HD3 ARG 26 HD3 ARG 26 -13.758 0.692 4.304 142 HE ARG 26 HE ARG 26 -11.752 1.085 5.274 143 HH11 ARG 26 HH11 ARG 26 -14.232 1.539 7.805 144 HH12 ARG 26 HH12 ARG 26 -13.070 1.925 9.032 145 HH21 ARG 26 HH21 ARG 26 -10.238 1.433 6.944 146 HH22 ARG 26 HH22 ARG 26 -10.783 1.761 8.544 Start of MODEL 40 1 H1 GLY 1 H GLY 1 8.712 4.836 -7.861 2 HA2 GLY 1 HA2 GLY 1 7.663 2.294 -6.736 3 HA3 GLY 1 HA3 GLY 1 8.211 3.651 -5.739 4 H SER 2 H SER 2 5.412 2.264 -6.386 5 HA SER 2 HA SER 2 3.815 4.362 -7.531 6 HB2 SER 2 HB2 SER 2 2.825 2.008 -5.900 7 HB3 SER 2 HB3 SER 2 2.026 2.839 -7.254 8 HG SER 2 HG SER 2 3.006 1.444 -8.515 9 H GLY 3 H GLY 3 5.336 5.197 -5.025 10 HA2 GLY 3 HA2 GLY 3 4.699 6.922 -3.567 11 HA3 GLY 3 HA3 GLY 3 3.030 6.385 -3.606 12 H CYS 4 H CYS 4 5.277 3.770 -3.197 13 HA CYS 4 HA CYS 4 5.402 4.003 -0.343 14 HB2 CYS 4 HB2 CYS 4 3.970 1.615 -1.527 15 HB3 CYS 4 HB3 CYS 4 4.545 1.792 0.139 16 H ASP 5 H ASP 5 6.825 2.736 0.608 17 HA ASP 5 HA ASP 5 8.856 1.357 -0.997 18 HB2 ASP 5 HB2 ASP 5 9.944 1.980 1.483 19 HB3 ASP 5 HB3 ASP 5 10.145 2.910 0.021 20 H ASP 6 H ASP 6 9.913 -0.277 0.115 21 HA ASP 6 HA ASP 6 8.443 -2.449 0.989 22 HB2 ASP 6 HB2 ASP 6 10.566 -3.460 1.300 23 HB3 ASP 6 HB3 ASP 6 10.795 -2.302 -0.006 24 H LYS 7 H LYS 7 9.762 0.147 2.886 25 HA LYS 7 HA LYS 7 9.581 -1.173 5.481 26 HB2 LYS 7 HB2 LYS 7 10.532 0.872 6.276 27 HB3 LYS 7 HB3 LYS 7 11.278 0.532 4.704 28 HG2 LYS 7 HG2 LYS 7 9.405 2.124 3.770 29 HG3 LYS 7 HG3 LYS 7 9.253 2.671 5.436 30 HD2 LYS 7 HD2 LYS 7 11.737 3.195 5.377 31 HD3 LYS 7 HD3 LYS 7 11.729 2.756 3.671 32 HE2 LYS 7 HE2 LYS 7 11.155 4.879 3.193 33 HE3 LYS 7 HE3 LYS 7 9.561 4.513 3.863 34 HZ1 LYS 7 HZ1 LYS 7 10.341 6.398 5.019 35 HZ2 LYS 7 HZ2 LYS 7 11.855 5.812 5.165 36 HZ3 LYS 7 HZ3 LYS 7 10.652 5.156 6.075 37 H CYS 8 H CYS 8 7.348 0.522 3.555 38 HA CYS 8 HA CYS 8 5.885 1.970 5.521 39 HB2 CYS 8 HB2 CYS 8 5.844 2.159 3.003 40 HB3 CYS 8 HB3 CYS 8 4.808 0.750 2.983 41 H GLY 9 H GLY 9 5.806 -1.557 5.155 42 HA2 GLY 9 HA2 GLY 9 4.479 -3.035 6.353 43 HA3 GLY 9 HA3 GLY 9 3.599 -1.672 7.094 44 H CYS 10 H CYS 10 4.324 -2.449 3.777 45 HA CYS 10 HA CYS 10 1.519 -2.618 2.851 46 HB2 CYS 10 HB2 CYS 10 3.989 -1.222 1.794 47 HB3 CYS 10 HB3 CYS 10 2.666 -1.647 0.715 48 H ALA 11 H ALA 11 1.504 -3.855 0.668 49 HA ALA 11 HA ALA 11 3.061 -6.253 0.739 50 HB1 ALA 11 HB1 ALA 11 0.872 -6.082 -0.442 51 HB2 ALA 11 HB2 ALA 11 1.573 -4.898 -1.577 52 HB3 ALA 11 HB3 ALA 11 2.159 -6.564 -1.571 53 H VAL 12 H VAL 12 4.951 -6.765 -0.679 54 HA VAL 12 HA VAL 12 6.315 -4.344 -1.740 55 HB VAL 12 HB VAL 12 7.676 -6.632 -0.302 56 HG11 VAL 12 HG11 VAL 12 9.617 -5.115 -0.322 57 HG12 VAL 12 HG12 VAL 12 9.091 -5.452 -1.970 58 HG13 VAL 12 HG13 VAL 12 8.690 -3.893 -1.214 59 HG21 VAL 12 HG21 VAL 12 6.432 -5.470 1.385 60 HG22 VAL 12 HG22 VAL 12 8.079 -4.861 1.480 61 HG23 VAL 12 HG23 VAL 12 6.815 -3.879 0.683 62 HA PRO 13 HA PRO 13 6.965 -3.560 -3.598 63 HB2 PRO 13 HB2 PRO 13 6.171 -3.106 -6.154 64 HB3 PRO 13 HB3 PRO 13 7.788 -3.752 -5.754 65 HG2 PRO 13 HG2 PRO 13 5.331 -5.341 -6.568 66 HG3 PRO 13 HG3 PRO 13 6.978 -5.446 -7.254 67 HD2 PRO 13 HD2 PRO 13 6.100 -7.154 -5.333 68 HD3 PRO 13 HD3 PRO 13 7.793 -6.567 -5.332 69 H CYS 14 H CYS 14 5.287 -1.839 -3.726 70 HA CYS 14 HA CYS 14 2.642 -2.897 -2.986 71 HB2 CYS 14 HB2 CYS 14 3.612 -1.389 -1.536 72 HB3 CYS 14 HB3 CYS 14 3.963 -0.204 -2.783 73 HA PRO 15 HA PRO 15 1.296 -2.060 -7.195 74 HB2 PRO 15 HB2 PRO 15 -1.446 -2.426 -6.923 75 HB3 PRO 15 HB3 PRO 15 -0.230 -3.721 -7.100 76 HG2 PRO 15 HG2 PRO 15 -1.490 -2.681 -4.574 77 HG3 PRO 15 HG3 PRO 15 -1.174 -4.386 -5.045 78 HD2 PRO 15 HD2 PRO 15 0.446 -3.008 -3.340 79 HD3 PRO 15 HD3 PRO 15 1.091 -4.212 -4.482 80 H GLY 16 H GLY 16 -0.177 -0.383 -4.445 81 HA2 GLY 16 HA2 GLY 16 -0.271 1.984 -4.362 82 HA3 GLY 16 HA3 GLY 16 -0.267 2.083 -6.106 83 H GLY 17 H GLY 17 -2.704 -0.223 -5.142 84 HA2 GLY 17 HA2 GLY 17 -4.743 1.873 -4.659 85 HA3 GLY 17 HA3 GLY 17 -4.858 0.903 -6.131 86 H THR 18 H THR 18 -5.765 -1.065 -6.087 87 HA THR 18 HA THR 18 -7.392 -1.901 -4.064 88 HB THR 18 HB THR 18 -7.216 -4.184 -5.288 89 HG1 THR 18 HG1 THR 18 -5.152 -3.966 -6.252 90 HG21 THR 18 HG21 THR 18 -8.900 -2.407 -5.841 91 HG22 THR 18 HG22 THR 18 -8.392 -3.339 -7.254 92 HG23 THR 18 HG23 THR 18 -7.755 -1.704 -6.992 93 H GLY 19 H GLY 19 -4.132 -3.221 -4.730 94 HA2 GLY 19 HA2 GLY 19 -4.039 -4.768 -2.317 95 HA3 GLY 19 HA3 GLY 19 -2.740 -4.508 -3.477 96 H CYS 20 H CYS 20 -4.207 -1.548 -2.121 97 HA CYS 20 HA CYS 20 -1.820 -1.382 -0.368 98 HB2 CYS 20 HB2 CYS 20 -1.774 0.256 -2.234 99 HB3 CYS 20 HB3 CYS 20 -3.187 1.010 -1.476 100 H ARG 21 H ARG 21 -2.296 -1.921 1.562 101 HA ARG 21 HA ARG 21 -4.800 -1.191 2.881 102 HB2 ARG 21 HB2 ARG 21 -2.240 -2.456 3.954 103 HB3 ARG 21 HB3 ARG 21 -3.684 -2.178 4.894 104 HG2 ARG 21 HG2 ARG 21 -3.598 -4.019 2.445 105 HG3 ARG 21 HG3 ARG 21 -3.391 -4.522 4.131 106 HD2 ARG 21 HD2 ARG 21 -5.637 -3.371 4.600 107 HD3 ARG 21 HD3 ARG 21 -5.876 -3.366 2.854 108 HE ARG 21 HE ARG 21 -5.290 -6.010 3.355 109 HH11 ARG 21 HH11 ARG 21 -7.712 -3.736 4.656 110 HH12 ARG 21 HH12 ARG 21 -8.676 -4.968 5.390 111 HH21 ARG 21 HH21 ARG 21 -6.626 -7.645 4.292 112 HH22 ARG 21 HH22 ARG 21 -8.056 -7.200 5.194 113 H CYS 22 H CYS 22 -4.207 1.019 2.109 114 HA CYS 22 HA CYS 22 -3.193 2.751 4.230 115 HB2 CYS 22 HB2 CYS 22 -2.108 3.203 1.447 116 HB3 CYS 22 HB3 CYS 22 -1.856 4.226 2.845 117 H THR 23 H THR 23 -5.269 2.022 1.462 118 HA THR 23 HA THR 23 -5.961 4.621 0.649 119 HB THR 23 HB THR 23 -8.017 3.331 -0.184 120 HG1 THR 23 HG1 THR 23 -8.219 1.287 0.364 121 HG21 THR 23 HG21 THR 23 -6.023 3.612 -1.622 122 HG22 THR 23 HG22 THR 23 -6.731 2.001 -1.838 123 HG23 THR 23 HG23 THR 23 -5.259 2.195 -0.878 124 H SER 24 H SER 24 -7.132 2.589 3.334 125 HA SER 24 HA SER 24 -8.428 2.902 5.066 126 HB2 SER 24 HB2 SER 24 -7.994 5.849 4.582 127 HB3 SER 24 HB3 SER 24 -8.900 5.187 5.953 128 HG SER 24 HG SER 24 -6.790 5.460 6.581 129 H ALA 25 H ALA 25 -9.525 4.344 2.105 130 HA ALA 25 HA ALA 25 -12.283 4.634 2.715 131 HB1 ALA 25 HB1 ALA 25 -12.507 4.754 0.274 132 HB2 ALA 25 HB2 ALA 25 -10.986 5.560 0.706 133 HB3 ALA 25 HB3 ALA 25 -10.954 3.920 0.045 134 H ARG 26 H ARG 26 -13.978 3.155 1.563 135 HA ARG 26 HA ARG 26 -13.203 0.325 1.323 136 HB2 ARG 26 HB2 ARG 26 -15.393 1.342 3.159 137 HB3 ARG 26 HB3 ARG 26 -15.242 -0.329 2.638 138 HG2 ARG 26 HG2 ARG 26 -13.133 1.136 4.302 139 HG3 ARG 26 HG3 ARG 26 -14.463 0.199 4.952 140 HD2 ARG 26 HD2 ARG 26 -12.583 -1.197 5.063 141 HD3 ARG 26 HD3 ARG 26 -13.641 -1.842 3.799 142 HE ARG 26 HE ARG 26 -11.776 -0.075 2.613 143 HH11 ARG 26 HH11 ARG 26 -11.402 -3.071 4.461 144 HH12 ARG 26 HH12 ARG 26 -10.413 -3.863 3.291 145 HH21 ARG 26 HH21 ARG 26 -10.078 -0.929 1.298 146 HH22 ARG 26 HH22 ARG 26 -9.538 -2.560 1.533
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