NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
569407 | 2mfp | 19557 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ALA 1 HA ALA 1 2.682 -6.623 -6.508 2 HB1 ALA 1 HB1 ALA 1 2.682 -8.633 -7.914 3 HB2 ALA 1 HB2 ALA 1 1.857 -7.309 -8.736 4 HB3 ALA 1 HB3 ALA 1 0.921 -8.596 -7.979 5 H GLY 2 H GLY 2 -0.615 -7.878 -6.416 6 HA2 GLY 2 HA2 GLY 2 -1.814 -5.281 -6.705 7 HA3 GLY 2 HA3 GLY 2 -2.643 -6.762 -6.192 8 H CYS 3 H CYS 3 -2.057 -3.862 -5.031 9 HA CYS 3 HA CYS 3 -1.146 -4.919 -2.480 10 HB2 CYS 3 HB2 CYS 3 -0.656 -2.179 -3.543 11 HB3 CYS 3 HB3 CYS 3 -0.070 -2.948 -2.056 12 H ASP 4 H ASP 4 -2.458 -4.743 -0.923 13 HA ASP 4 HA ASP 4 -4.277 -2.470 -0.653 14 HB2 ASP 4 HB2 ASP 4 -5.021 -5.369 -0.056 15 HB3 ASP 4 HB3 ASP 4 -6.025 -3.944 0.166 16 H ASP 5 H ASP 5 -5.263 -3.325 1.888 17 HA ASP 5 HA ASP 5 -2.901 -2.807 3.417 18 HB2 ASP 5 HB2 ASP 5 -4.241 -2.683 5.416 19 HB3 ASP 5 HB3 ASP 5 -5.168 -1.920 4.142 20 H LYS 6 H LYS 6 -4.540 -5.620 2.436 21 HA LYS 6 HA LYS 6 -3.328 -7.336 4.408 22 HB2 LYS 6 HB2 LYS 6 -4.322 -8.251 1.701 23 HB3 LYS 6 HB3 LYS 6 -4.098 -9.226 3.138 24 HG2 LYS 6 HG2 LYS 6 -6.257 -7.252 2.524 25 HG3 LYS 6 HG3 LYS 6 -6.396 -8.949 2.923 26 HD2 LYS 6 HD2 LYS 6 -5.809 -8.564 5.205 27 HD3 LYS 6 HD3 LYS 6 -5.375 -6.889 4.864 28 HE2 LYS 6 HE2 LYS 6 -7.768 -6.526 4.164 29 HE3 LYS 6 HE3 LYS 6 -8.121 -8.124 4.818 30 HZ1 LYS 6 HZ1 LYS 6 -7.307 -7.361 6.969 31 HZ2 LYS 6 HZ2 LYS 6 -8.561 -6.373 6.410 32 HZ3 LYS 6 HZ3 LYS 6 -6.959 -5.845 6.287 33 H CYS 7 H CYS 7 -2.126 -5.696 1.775 34 HA CYS 7 HA CYS 7 -0.125 -7.705 1.189 35 HB2 CYS 7 HB2 CYS 7 -1.087 -6.116 -0.595 36 HB3 CYS 7 HB3 CYS 7 -0.036 -4.884 0.119 37 H GLY 8 H GLY 8 -0.576 -5.058 3.306 38 HA2 GLY 8 HA2 GLY 8 0.832 -4.401 5.017 39 HA3 GLY 8 HA3 GLY 8 2.085 -5.459 4.358 40 H CYS 9 H CYS 9 0.614 -3.538 2.096 41 HA CYS 9 HA CYS 9 2.935 -1.807 1.919 42 HB2 CYS 9 HB2 CYS 9 1.004 -3.035 0.097 43 HB3 CYS 9 HB3 CYS 9 1.517 -1.450 -0.351 44 H ALA 10 H ALA 10 2.125 0.380 0.778 45 HA ALA 10 HA ALA 10 0.416 1.705 2.579 46 HB1 ALA 10 HB1 ALA 10 1.513 2.445 -0.116 47 HB2 ALA 10 HB2 ALA 10 2.262 2.795 1.439 48 HB3 ALA 10 HB3 ALA 10 0.736 3.576 0.995 49 H VAL 11 H VAL 11 -1.601 2.780 1.916 50 HA VAL 11 HA VAL 11 -3.042 1.396 -0.227 51 HB VAL 11 HB VAL 11 -4.198 1.881 2.540 52 HG11 VAL 11 HG11 VAL 11 -5.877 2.012 0.800 53 HG12 VAL 11 HG12 VAL 11 -6.099 0.547 1.759 54 HG13 VAL 11 HG13 VAL 11 -5.365 0.451 0.160 55 HG21 VAL 11 HG21 VAL 11 -4.200 -0.551 2.820 56 HG22 VAL 11 HG22 VAL 11 -2.559 0.059 2.599 57 HG23 VAL 11 HG23 VAL 11 -3.390 -0.734 1.268 58 HA PRO 12 HA PRO 12 -3.734 1.954 -2.012 59 HB2 PRO 12 HB2 PRO 12 -3.249 3.597 -4.105 60 HB3 PRO 12 HB3 PRO 12 -4.885 3.279 -3.522 61 HG2 PRO 12 HG2 PRO 12 -3.115 5.634 -3.012 62 HG3 PRO 12 HG3 PRO 12 -4.854 5.593 -3.355 63 HD2 PRO 12 HD2 PRO 12 -3.834 5.890 -0.848 64 HD3 PRO 12 HD3 PRO 12 -5.396 5.115 -1.173 65 H CYS 13 H CYS 13 -1.868 1.341 -3.316 66 HA CYS 13 HA CYS 13 0.460 2.307 -1.948 67 HB2 CYS 13 HB2 CYS 13 0.009 -0.121 -2.049 68 HB3 CYS 13 HB3 CYS 13 0.272 -0.093 -3.796 69 HA PRO 14 HA PRO 14 1.314 4.883 -5.383 70 HB2 PRO 14 HB2 PRO 14 3.447 6.137 -4.444 71 HB3 PRO 14 HB3 PRO 14 1.878 6.298 -3.644 72 HG2 PRO 14 HG2 PRO 14 4.206 4.572 -2.904 73 HG3 PRO 14 HG3 PRO 14 3.185 5.574 -1.858 74 HD2 PRO 14 HD2 PRO 14 2.859 2.850 -2.213 75 HD3 PRO 14 HD3 PRO 14 1.574 3.974 -1.704 76 H GLY 15 H GLY 15 2.800 2.109 -5.079 77 HA2 GLY 15 HA2 GLY 15 4.085 0.924 -6.618 78 HA3 GLY 15 HA3 GLY 15 4.254 2.404 -7.533 79 H GLY 16 H GLY 16 5.599 3.980 -5.604 80 HA2 GLY 16 HA2 GLY 16 8.220 2.701 -5.798 81 HA3 GLY 16 HA3 GLY 16 7.922 4.416 -5.593 82 H THR 17 H THR 17 7.792 5.263 -3.563 83 HA THR 17 HA THR 17 9.356 4.076 -1.585 84 HB THR 17 HB THR 17 7.382 6.303 -1.142 85 HG1 THR 17 HG1 THR 17 9.945 6.306 -2.403 86 HG21 THR 17 HG21 THR 17 9.149 7.133 0.378 87 HG22 THR 17 HG22 THR 17 10.142 5.733 -0.019 88 HG23 THR 17 HG23 THR 17 8.623 5.515 0.842 89 H GLY 18 H GLY 18 5.861 4.286 -1.882 90 HA2 GLY 18 HA2 GLY 18 5.445 3.097 0.730 91 HA3 GLY 18 HA3 GLY 18 4.190 3.518 -0.426 92 H CYS 19 H CYS 19 6.564 1.724 -1.990 93 HA CYS 19 HA CYS 19 4.762 -0.482 -1.762 94 HB2 CYS 19 HB2 CYS 19 5.296 0.344 -4.061 95 HB3 CYS 19 HB3 CYS 19 6.939 -0.253 -3.828 96 H ARG 20 H ARG 20 5.657 -1.085 0.312 97 HA ARG 20 HA ARG 20 8.209 -2.304 0.084 98 HB2 ARG 20 HB2 ARG 20 7.870 -3.141 2.447 99 HB3 ARG 20 HB3 ARG 20 7.981 -1.407 2.259 100 HG2 ARG 20 HG2 ARG 20 5.315 -2.622 2.254 101 HG3 ARG 20 HG3 ARG 20 6.172 -2.579 3.805 102 HD2 ARG 20 HD2 ARG 20 5.521 -0.225 2.011 103 HD3 ARG 20 HD3 ARG 20 4.756 -0.597 3.558 104 HE ARG 20 HE ARG 20 7.641 -0.172 3.501 105 HH11 ARG 20 HH11 ARG 20 4.461 1.087 4.438 106 HH12 ARG 20 HH12 ARG 20 5.125 2.231 5.511 107 HH21 ARG 20 HH21 ARG 20 8.496 1.389 4.969 108 HH22 ARG 20 HH22 ARG 20 7.414 2.400 5.822 109 H CYS 21 H CYS 21 7.494 -3.341 -1.617 110 HA CYS 21 HA CYS 21 6.430 -6.022 -0.915 111 HB2 CYS 21 HB2 CYS 21 6.066 -4.373 -3.241 112 HB3 CYS 21 HB3 CYS 21 6.906 -5.838 -3.708 113 H THR 22 H THR 22 9.135 -4.296 -1.093 114 HA THR 22 HA THR 22 10.776 -6.588 -1.626 115 HB THR 22 HB THR 22 10.939 -5.099 -3.584 116 HG1 THR 22 HG1 THR 22 12.816 -6.107 -3.041 117 HG21 THR 22 HG21 THR 22 11.849 -2.811 -3.390 118 HG22 THR 22 HG22 THR 22 11.808 -2.951 -1.633 119 HG23 THR 22 HG23 THR 22 10.304 -2.965 -2.552 120 H SER 23 H SER 23 12.441 -6.800 -0.113 121 HA SER 23 HA SER 23 13.398 -6.661 1.969 122 HB2 SER 23 HB2 SER 23 12.916 -3.671 1.649 123 HB3 SER 23 HB3 SER 23 14.093 -4.423 2.726 124 HG SER 23 HG SER 23 14.510 -5.338 0.273 125 H ALA 24 H ALA 24 10.584 -7.053 1.674 126 HA ALA 24 HA ALA 24 9.249 -5.333 3.561 127 HB1 ALA 24 HB1 ALA 24 8.198 -5.790 1.417 128 HB2 ALA 24 HB2 ALA 24 7.207 -6.341 2.767 129 HB3 ALA 24 HB3 ALA 24 8.131 -7.506 1.818 130 H ARG 25 H ARG 25 8.840 -5.832 5.502 131 HA ARG 25 HA ARG 25 9.013 -8.603 6.411 132 HB2 ARG 25 HB2 ARG 25 8.911 -5.984 7.908 133 HB3 ARG 25 HB3 ARG 25 8.739 -7.525 8.713 134 HG2 ARG 25 HG2 ARG 25 10.953 -6.796 9.052 135 HG3 ARG 25 HG3 ARG 25 11.035 -8.105 7.884 136 HD2 ARG 25 HD2 ARG 25 11.298 -6.493 6.083 137 HD3 ARG 25 HD3 ARG 25 11.109 -5.164 7.232 138 HE ARG 25 HE ARG 25 13.161 -6.831 8.110 139 HH11 ARG 25 HH11 ARG 25 12.625 -4.570 5.419 140 HH12 ARG 25 HH12 ARG 25 14.283 -4.147 5.305 141 HH21 ARG 25 HH21 ARG 25 15.395 -6.195 7.917 142 HH22 ARG 25 HH22 ARG 25 15.854 -5.044 6.744 143 H SER 26 H SER 26 6.889 -5.975 5.752 144 HA SER 26 HA SER 26 4.667 -6.886 7.235 145 HB2 SER 26 HB2 SER 26 4.832 -4.989 4.893 146 HB3 SER 26 HB3 SER 26 3.474 -5.142 6.010 147 HG SER 26 HG SER 26 5.492 -4.854 7.532 148 H GLY 27 H GLY 27 5.354 -6.902 3.693 149 HA2 GLY 27 HA2 GLY 27 4.537 -9.489 3.254 150 HA3 GLY 27 HA3 GLY 27 3.117 -8.462 3.093 151 H GLY 28 H GLY 28 4.921 -10.010 1.224 152 HA2 GLY 28 HA2 GLY 28 4.849 -7.985 -0.861 153 HA3 GLY 28 HA3 GLY 28 6.426 -8.679 -0.513 154 H ALA 29 H ALA 29 5.420 -11.300 0.105 155 HA ALA 29 HA ALA 29 5.572 -12.573 -2.333 156 HB1 ALA 29 HB1 ALA 29 4.256 -13.581 0.187 157 HB2 ALA 29 HB2 ALA 29 5.983 -13.646 -0.162 158 HB3 ALA 29 HB3 ALA 29 4.850 -14.573 -1.142 159 H ALA 30 H ALA 30 4.276 -12.427 -3.965 160 HA ALA 30 HA ALA 30 2.489 -12.322 -5.337 161 HB1 ALA 30 HB1 ALA 30 1.850 -14.454 -4.272 162 HB2 ALA 30 HB2 ALA 30 0.440 -13.504 -4.739 163 HB3 ALA 30 HB3 ALA 30 0.947 -13.557 -3.050 164 H GLY 31 H GLY 31 3.086 -10.178 -3.380 165 HA2 GLY 31 HA2 GLY 31 0.444 -8.974 -3.064 166 HA3 GLY 31 HA3 GLY 31 1.906 -8.487 -2.227 Start of MODEL 2 1 HA ALA 1 HA ALA 1 0.724 -6.944 -9.044 2 HB1 ALA 1 HB1 ALA 1 -0.711 -5.224 -11.061 3 HB2 ALA 1 HB2 ALA 1 0.173 -6.707 -11.404 4 HB3 ALA 1 HB3 ALA 1 1.035 -5.278 -10.832 5 H GLY 2 H GLY 2 -2.115 -5.239 -8.293 6 HA2 GLY 2 HA2 GLY 2 -0.669 -3.047 -7.038 7 HA3 GLY 2 HA3 GLY 2 -2.419 -3.189 -7.209 8 H CYS 3 H CYS 3 -0.942 -2.636 -4.803 9 HA CYS 3 HA CYS 3 -1.418 -5.090 -3.232 10 HB2 CYS 3 HB2 CYS 3 0.197 -2.659 -2.571 11 HB3 CYS 3 HB3 CYS 3 0.067 -4.047 -1.536 12 H ASP 4 H ASP 4 -2.282 -4.659 -1.018 13 HA ASP 4 HA ASP 4 -3.846 -2.210 -0.766 14 HB2 ASP 4 HB2 ASP 4 -5.267 -4.082 -1.798 15 HB3 ASP 4 HB3 ASP 4 -5.015 -4.995 -0.320 16 H ASP 5 H ASP 5 -5.102 -2.939 1.648 17 HA ASP 5 HA ASP 5 -3.171 -2.303 3.588 18 HB2 ASP 5 HB2 ASP 5 -5.429 -1.746 4.063 19 HB3 ASP 5 HB3 ASP 5 -5.970 -3.400 3.804 20 H LYS 6 H LYS 6 -4.436 -5.296 2.531 21 HA LYS 6 HA LYS 6 -3.523 -6.800 4.781 22 HB2 LYS 6 HB2 LYS 6 -4.373 -7.886 2.099 23 HB3 LYS 6 HB3 LYS 6 -4.348 -8.738 3.640 24 HG2 LYS 6 HG2 LYS 6 -6.179 -6.479 2.839 25 HG3 LYS 6 HG3 LYS 6 -6.616 -8.161 3.140 26 HD2 LYS 6 HD2 LYS 6 -6.096 -7.932 5.484 27 HD3 LYS 6 HD3 LYS 6 -5.444 -6.314 5.219 28 HE2 LYS 6 HE2 LYS 6 -7.707 -5.613 4.443 29 HE3 LYS 6 HE3 LYS 6 -8.308 -7.192 4.952 30 HZ1 LYS 6 HZ1 LYS 6 -8.644 -5.525 6.669 31 HZ2 LYS 6 HZ2 LYS 6 -6.987 -5.190 6.681 32 HZ3 LYS 6 HZ3 LYS 6 -7.549 -6.702 7.194 33 H CYS 7 H CYS 7 -1.830 -5.439 2.362 34 HA CYS 7 HA CYS 7 0.170 -7.579 2.286 35 HB2 CYS 7 HB2 CYS 7 -0.501 -6.379 0.132 36 HB3 CYS 7 HB3 CYS 7 0.332 -4.960 0.782 37 H GLY 8 H GLY 8 -0.564 -4.625 3.861 38 HA2 GLY 8 HA2 GLY 8 0.598 -3.666 5.613 39 HA3 GLY 8 HA3 GLY 8 2.004 -4.648 5.204 40 H CYS 9 H CYS 9 1.005 -3.546 2.461 41 HA CYS 9 HA CYS 9 3.010 -1.476 2.250 42 HB2 CYS 9 HB2 CYS 9 1.322 -3.034 0.432 43 HB3 CYS 9 HB3 CYS 9 1.659 -1.430 -0.112 44 H ALA 10 H ALA 10 2.214 0.477 0.864 45 HA ALA 10 HA ALA 10 0.350 1.984 2.361 46 HB1 ALA 10 HB1 ALA 10 1.480 2.395 -0.396 47 HB2 ALA 10 HB2 ALA 10 2.160 3.019 1.108 48 HB3 ALA 10 HB3 ALA 10 0.605 3.628 0.517 49 H VAL 11 H VAL 11 -1.722 2.845 1.534 50 HA VAL 11 HA VAL 11 -3.025 1.021 -0.361 51 HB VAL 11 HB VAL 11 -4.386 1.959 2.162 52 HG11 VAL 11 HG11 VAL 11 -5.078 -0.199 0.190 53 HG12 VAL 11 HG12 VAL 11 -5.867 1.367 0.358 54 HG13 VAL 11 HG13 VAL 11 -5.976 0.175 1.660 55 HG21 VAL 11 HG21 VAL 11 -2.497 0.530 2.789 56 HG22 VAL 11 HG22 VAL 11 -3.106 -0.732 1.713 57 HG23 VAL 11 HG23 VAL 11 -4.047 -0.241 3.122 58 HA PRO 12 HA PRO 12 -3.808 1.150 -2.151 59 HB2 PRO 12 HB2 PRO 12 -3.517 2.353 -4.564 60 HB3 PRO 12 HB3 PRO 12 -5.111 2.057 -3.858 61 HG2 PRO 12 HG2 PRO 12 -3.509 4.575 -3.932 62 HG3 PRO 12 HG3 PRO 12 -5.250 4.352 -4.167 63 HD2 PRO 12 HD2 PRO 12 -4.149 5.225 -1.825 64 HD3 PRO 12 HD3 PRO 12 -5.675 4.327 -1.912 65 H CYS 13 H CYS 13 -1.873 0.425 -3.336 66 HA CYS 13 HA CYS 13 0.351 1.838 -2.238 67 HB2 CYS 13 HB2 CYS 13 0.246 -0.573 -1.964 68 HB3 CYS 13 HB3 CYS 13 0.350 -0.821 -3.729 69 HA PRO 14 HA PRO 14 0.834 4.118 -5.951 70 HB2 PRO 14 HB2 PRO 14 2.837 5.683 -5.221 71 HB3 PRO 14 HB3 PRO 14 1.282 5.753 -4.382 72 HG2 PRO 14 HG2 PRO 14 3.805 4.357 -3.562 73 HG3 PRO 14 HG3 PRO 14 2.709 5.359 -2.589 74 HD2 PRO 14 HD2 PRO 14 2.667 2.603 -2.629 75 HD3 PRO 14 HD3 PRO 14 1.276 3.639 -2.216 76 H GLY 15 H GLY 15 2.986 1.742 -5.118 77 HA2 GLY 15 HA2 GLY 15 4.350 0.518 -6.584 78 HA3 GLY 15 HA3 GLY 15 4.200 1.819 -7.751 79 H GLY 16 H GLY 16 5.100 3.792 -5.719 80 HA2 GLY 16 HA2 GLY 16 7.933 3.415 -6.212 81 HA3 GLY 16 HA3 GLY 16 7.163 4.881 -5.632 82 H THR 17 H THR 17 7.742 5.419 -3.683 83 HA THR 17 HA THR 17 9.327 3.875 -1.977 84 HB THR 17 HB THR 17 7.695 6.332 -1.317 85 HG1 THR 17 HG1 THR 17 10.189 6.011 -2.649 86 HG21 THR 17 HG21 THR 17 10.350 5.306 -0.263 87 HG22 THR 17 HG22 THR 17 8.820 5.276 0.610 88 HG23 THR 17 HG23 THR 17 9.576 6.816 0.217 89 H GLY 18 H GLY 18 5.886 4.427 -2.170 90 HA2 GLY 18 HA2 GLY 18 5.206 3.314 0.369 91 HA3 GLY 18 HA3 GLY 18 4.098 3.605 -0.961 92 H CYS 19 H CYS 19 6.420 1.810 -2.420 93 HA CYS 19 HA CYS 19 4.839 -0.500 -1.884 94 HB2 CYS 19 HB2 CYS 19 5.356 0.022 -4.292 95 HB3 CYS 19 HB3 CYS 19 7.042 -0.405 -3.955 96 H ARG 20 H ARG 20 5.642 -0.835 0.188 97 HA ARG 20 HA ARG 20 8.313 -1.668 0.433 98 HB2 ARG 20 HB2 ARG 20 7.589 -2.454 2.741 99 HB3 ARG 20 HB3 ARG 20 7.448 -0.734 2.421 100 HG2 ARG 20 HG2 ARG 20 5.045 -1.080 1.965 101 HG3 ARG 20 HG3 ARG 20 5.235 -2.769 2.450 102 HD2 ARG 20 HD2 ARG 20 5.772 -0.344 4.131 103 HD3 ARG 20 HD3 ARG 20 4.360 -1.393 4.247 104 HE ARG 20 HE ARG 20 7.061 -2.490 4.647 105 HH11 ARG 20 HH11 ARG 20 3.833 -1.905 6.012 106 HH12 ARG 20 HH12 ARG 20 4.168 -2.741 7.468 107 HH21 ARG 20 HH21 ARG 20 7.469 -3.630 6.622 108 HH22 ARG 20 HH22 ARG 20 6.229 -3.749 7.806 109 H CYS 21 H CYS 21 7.997 -2.855 -1.361 110 HA CYS 21 HA CYS 21 7.911 -5.727 -0.703 111 HB2 CYS 21 HB2 CYS 21 6.518 -4.385 -2.962 112 HB3 CYS 21 HB3 CYS 21 7.438 -5.806 -3.390 113 H THR 22 H THR 22 9.831 -3.327 -1.089 114 HA THR 22 HA THR 22 11.470 -4.095 -3.269 115 HB THR 22 HB THR 22 13.036 -2.397 -2.173 116 HG1 THR 22 HG1 THR 22 12.299 -1.285 -0.472 117 HG21 THR 22 HG21 THR 22 11.518 -1.784 -4.005 118 HG22 THR 22 HG22 THR 22 11.644 -0.474 -2.832 119 HG23 THR 22 HG23 THR 22 10.220 -1.515 -2.842 120 H SER 23 H SER 23 11.357 -4.612 0.167 121 HA SER 23 HA SER 23 13.179 -6.843 -0.145 122 HB2 SER 23 HB2 SER 23 14.563 -4.914 0.624 123 HB3 SER 23 HB3 SER 23 13.515 -4.746 2.031 124 HG SER 23 HG SER 23 14.209 -7.226 2.050 125 H ALA 24 H ALA 24 10.240 -5.967 0.517 126 HA ALA 24 HA ALA 24 9.938 -7.937 2.643 127 HB1 ALA 24 HB1 ALA 24 8.318 -5.396 2.359 128 HB2 ALA 24 HB2 ALA 24 9.551 -5.695 3.584 129 HB3 ALA 24 HB3 ALA 24 8.071 -6.653 3.574 130 H ARG 25 H ARG 25 9.524 -9.523 1.175 131 HA ARG 25 HA ARG 25 7.537 -9.108 -0.833 132 HB2 ARG 25 HB2 ARG 25 9.163 -11.515 -0.093 133 HB3 ARG 25 HB3 ARG 25 7.896 -11.556 -1.314 134 HG2 ARG 25 HG2 ARG 25 9.075 -9.739 -2.510 135 HG3 ARG 25 HG3 ARG 25 10.382 -9.884 -1.341 136 HD2 ARG 25 HD2 ARG 25 10.851 -12.112 -2.029 137 HD3 ARG 25 HD3 ARG 25 9.392 -12.174 -3.020 138 HE ARG 25 HE ARG 25 10.920 -10.033 -3.857 139 HH11 ARG 25 HH11 ARG 25 11.237 -13.536 -3.797 140 HH12 ARG 25 HH12 ARG 25 12.068 -13.664 -5.264 141 HH21 ARG 25 HH21 ARG 25 12.050 -10.144 -5.895 142 HH22 ARG 25 HH22 ARG 25 12.545 -11.663 -6.503 143 H SER 26 H SER 26 5.563 -9.160 -0.513 144 HA SER 26 HA SER 26 4.274 -11.322 0.811 145 HB2 SER 26 HB2 SER 26 3.956 -8.467 1.795 146 HB3 SER 26 HB3 SER 26 2.896 -9.800 2.245 147 HG SER 26 HG SER 26 5.527 -10.388 2.585 148 H GLY 27 H GLY 27 2.260 -11.591 -0.070 149 HA2 GLY 27 HA2 GLY 27 1.745 -10.034 -2.449 150 HA3 GLY 27 HA3 GLY 27 0.869 -11.468 -1.911 151 H GLY 28 H GLY 28 -0.268 -11.088 0.275 152 HA2 GLY 28 HA2 GLY 28 -1.838 -9.936 1.502 153 HA3 GLY 28 HA3 GLY 28 -1.292 -8.454 0.732 154 H ALA 29 H ALA 29 -1.824 -8.433 -1.665 155 HA ALA 29 HA ALA 29 -4.631 -9.208 -2.003 156 HB1 ALA 29 HB1 ALA 29 -3.179 -6.787 -3.101 157 HB2 ALA 29 HB2 ALA 29 -4.388 -6.775 -1.815 158 HB3 ALA 29 HB3 ALA 29 -4.851 -7.222 -3.455 159 H ALA 30 H ALA 30 -5.102 -10.230 -3.904 160 HA ALA 30 HA ALA 30 -2.840 -11.263 -5.356 161 HB1 ALA 30 HB1 ALA 30 -4.461 -12.691 -6.477 162 HB2 ALA 30 HB2 ALA 30 -5.782 -11.801 -5.721 163 HB3 ALA 30 HB3 ALA 30 -4.675 -12.750 -4.727 164 H GLY 31 H GLY 31 -1.998 -9.630 -6.572 165 HA2 GLY 31 HA2 GLY 31 -2.877 -9.295 -9.122 166 HA3 GLY 31 HA3 GLY 31 -3.565 -7.956 -8.203 Start of MODEL 3 1 HA ALA 1 HA ALA 1 1.792 -6.257 -6.633 2 HB1 ALA 1 HB1 ALA 1 1.455 -8.773 -8.276 3 HB2 ALA 1 HB2 ALA 1 2.829 -7.672 -8.361 4 HB3 ALA 1 HB3 ALA 1 1.227 -7.123 -8.857 5 H GLY 2 H GLY 2 -0.307 -5.557 -7.082 6 HA2 GLY 2 HA2 GLY 2 -2.623 -5.572 -6.836 7 HA3 GLY 2 HA3 GLY 2 -2.530 -7.283 -6.393 8 H CYS 3 H CYS 3 -0.997 -4.411 -5.201 9 HA CYS 3 HA CYS 3 -0.901 -5.259 -2.531 10 HB2 CYS 3 HB2 CYS 3 -0.678 -2.420 -3.558 11 HB3 CYS 3 HB3 CYS 3 -0.086 -3.077 -2.037 12 H ASP 4 H ASP 4 -2.063 -4.553 -0.713 13 HA ASP 4 HA ASP 4 -4.465 -3.004 -0.948 14 HB2 ASP 4 HB2 ASP 4 -4.952 -5.485 -1.573 15 HB3 ASP 4 HB3 ASP 4 -4.563 -5.855 0.097 16 H ASP 5 H ASP 5 -5.373 -3.697 1.624 17 HA ASP 5 HA ASP 5 -3.258 -2.462 3.185 18 HB2 ASP 5 HB2 ASP 5 -4.780 -2.236 5.007 19 HB3 ASP 5 HB3 ASP 5 -5.754 -1.981 3.572 20 H LYS 6 H LYS 6 -4.391 -5.556 2.557 21 HA LYS 6 HA LYS 6 -3.227 -6.950 4.792 22 HB2 LYS 6 HB2 LYS 6 -4.005 -7.980 2.067 23 HB3 LYS 6 HB3 LYS 6 -3.687 -8.961 3.484 24 HG2 LYS 6 HG2 LYS 6 -5.969 -7.023 3.153 25 HG3 LYS 6 HG3 LYS 6 -6.069 -8.772 2.986 26 HD2 LYS 6 HD2 LYS 6 -5.330 -8.970 5.359 27 HD3 LYS 6 HD3 LYS 6 -5.411 -7.209 5.471 28 HE2 LYS 6 HE2 LYS 6 -7.458 -8.080 6.351 29 HE3 LYS 6 HE3 LYS 6 -7.796 -7.344 4.786 30 HZ1 LYS 6 HZ1 LYS 6 -7.759 -9.579 3.786 31 HZ2 LYS 6 HZ2 LYS 6 -8.933 -9.420 4.955 32 HZ3 LYS 6 HZ3 LYS 6 -7.517 -10.252 5.320 33 H CYS 7 H CYS 7 -1.967 -5.417 2.120 34 HA CYS 7 HA CYS 7 0.165 -7.308 1.566 35 HB2 CYS 7 HB2 CYS 7 -1.098 -5.649 -0.024 36 HB3 CYS 7 HB3 CYS 7 0.159 -4.525 0.493 37 H GLY 8 H GLY 8 -0.451 -4.496 3.471 38 HA2 GLY 8 HA2 GLY 8 0.917 -3.847 5.272 39 HA3 GLY 8 HA3 GLY 8 2.280 -4.646 4.494 40 H CYS 9 H CYS 9 0.793 -3.225 2.091 41 HA CYS 9 HA CYS 9 2.676 -1.061 2.007 42 HB2 CYS 9 HB2 CYS 9 0.845 -2.394 0.098 43 HB3 CYS 9 HB3 CYS 9 1.476 -0.824 -0.268 44 H ALA 10 H ALA 10 1.854 1.011 1.136 45 HA ALA 10 HA ALA 10 -0.154 2.136 2.778 46 HB1 ALA 10 HB1 ALA 10 1.717 3.434 1.910 47 HB2 ALA 10 HB2 ALA 10 0.195 4.121 1.320 48 HB3 ALA 10 HB3 ALA 10 1.184 3.102 0.265 49 H VAL 11 H VAL 11 -2.222 2.975 1.999 50 HA VAL 11 HA VAL 11 -3.131 1.734 -0.480 51 HB VAL 11 HB VAL 11 -4.803 1.854 2.050 52 HG11 VAL 11 HG11 VAL 11 -5.316 0.494 -0.588 53 HG12 VAL 11 HG12 VAL 11 -6.102 1.953 0.010 54 HG13 VAL 11 HG13 VAL 11 -6.357 0.411 0.833 55 HG21 VAL 11 HG21 VAL 11 -3.457 -0.566 0.836 56 HG22 VAL 11 HG22 VAL 11 -4.581 -0.593 2.190 57 HG23 VAL 11 HG23 VAL 11 -3.019 0.204 2.357 58 HA PRO 12 HA PRO 12 -3.851 2.318 -2.270 59 HB2 PRO 12 HB2 PRO 12 -3.132 4.634 -3.890 60 HB3 PRO 12 HB3 PRO 12 -4.460 3.498 -4.127 61 HG2 PRO 12 HG2 PRO 12 -4.856 6.080 -3.393 62 HG3 PRO 12 HG3 PRO 12 -5.936 4.763 -2.905 63 HD2 PRO 12 HD2 PRO 12 -3.756 6.096 -1.317 64 HD3 PRO 12 HD3 PRO 12 -5.387 5.602 -0.814 65 H CYS 13 H CYS 13 -1.922 1.556 -3.165 66 HA CYS 13 HA CYS 13 0.434 2.635 -1.941 67 HB2 CYS 13 HB2 CYS 13 0.149 0.229 -1.898 68 HB3 CYS 13 HB3 CYS 13 0.084 0.133 -3.668 69 HA PRO 14 HA PRO 14 1.434 5.099 -5.478 70 HB2 PRO 14 HB2 PRO 14 3.885 5.881 -4.812 71 HB3 PRO 14 HB3 PRO 14 2.479 6.414 -3.891 72 HG2 PRO 14 HG2 PRO 14 4.390 4.183 -3.268 73 HG3 PRO 14 HG3 PRO 14 3.806 5.463 -2.192 74 HD2 PRO 14 HD2 PRO 14 2.743 2.978 -2.206 75 HD3 PRO 14 HD3 PRO 14 1.766 4.427 -1.868 76 H GLY 15 H GLY 15 3.066 2.223 -4.767 77 HA2 GLY 15 HA2 GLY 15 3.921 0.683 -6.328 78 HA3 GLY 15 HA3 GLY 15 3.916 1.950 -7.542 79 H GLY 16 H GLY 16 5.472 3.862 -6.150 80 HA2 GLY 16 HA2 GLY 16 8.078 2.621 -6.466 81 HA3 GLY 16 HA3 GLY 16 7.753 4.351 -6.376 82 H THR 17 H THR 17 8.399 5.277 -4.552 83 HA THR 17 HA THR 17 9.265 3.716 -2.333 84 HB THR 17 HB THR 17 8.677 6.618 -2.357 85 HG1 THR 17 HG1 THR 17 10.640 5.103 -3.654 86 HG21 THR 17 HG21 THR 17 10.542 6.734 -0.743 87 HG22 THR 17 HG22 THR 17 10.757 4.989 -0.891 88 HG23 THR 17 HG23 THR 17 9.273 5.638 -0.196 89 H GLY 18 H GLY 18 7.962 2.905 -0.893 90 HA2 GLY 18 HA2 GLY 18 6.175 3.399 0.779 91 HA3 GLY 18 HA3 GLY 18 5.255 4.020 -0.600 92 H CYS 19 H CYS 19 6.882 1.878 -2.075 93 HA CYS 19 HA CYS 19 4.863 -0.146 -1.701 94 HB2 CYS 19 HB2 CYS 19 5.589 0.453 -4.018 95 HB3 CYS 19 HB3 CYS 19 7.163 -0.257 -3.645 96 H ARG 20 H ARG 20 5.510 -0.661 0.403 97 HA ARG 20 HA ARG 20 7.943 -2.067 0.639 98 HB2 ARG 20 HB2 ARG 20 7.105 -2.661 2.964 99 HB3 ARG 20 HB3 ARG 20 7.387 -0.968 2.645 100 HG2 ARG 20 HG2 ARG 20 4.811 -1.026 2.060 101 HG3 ARG 20 HG3 ARG 20 4.853 -2.425 3.136 102 HD2 ARG 20 HD2 ARG 20 5.749 0.389 3.773 103 HD3 ARG 20 HD3 ARG 20 4.343 -0.444 4.404 104 HE ARG 20 HE ARG 20 5.820 -1.939 5.556 105 HH11 ARG 20 HH11 ARG 20 7.368 0.967 4.273 106 HH12 ARG 20 HH12 ARG 20 8.510 1.120 5.508 107 HH21 ARG 20 HH21 ARG 20 7.422 -1.769 7.303 108 HH22 ARG 20 HH22 ARG 20 8.554 -0.512 7.273 109 H CYS 21 H CYS 21 7.442 -3.106 -1.092 110 HA CYS 21 HA CYS 21 6.554 -5.864 -0.489 111 HB2 CYS 21 HB2 CYS 21 6.176 -4.212 -2.863 112 HB3 CYS 21 HB3 CYS 21 6.988 -5.720 -3.233 113 H THR 22 H THR 22 8.932 -3.737 -1.993 114 HA THR 22 HA THR 22 10.902 -5.585 -2.479 115 HB THR 22 HB THR 22 11.105 -3.376 -3.425 116 HG1 THR 22 HG1 THR 22 13.050 -4.357 -2.909 117 HG21 THR 22 HG21 THR 22 9.918 -2.052 -1.741 118 HG22 THR 22 HG22 THR 22 11.495 -1.335 -2.077 119 HG23 THR 22 HG23 THR 22 11.250 -2.277 -0.608 120 H SER 23 H SER 23 11.443 -7.021 -1.041 121 HA SER 23 HA SER 23 12.459 -7.988 0.641 122 HB2 SER 23 HB2 SER 23 14.057 -5.993 0.488 123 HB3 SER 23 HB3 SER 23 13.138 -5.262 1.800 124 HG SER 23 HG SER 23 14.139 -6.477 3.149 125 H ALA 24 H ALA 24 9.675 -7.392 0.626 126 HA ALA 24 HA ALA 24 8.925 -6.835 3.375 127 HB1 ALA 24 HB1 ALA 24 7.242 -7.834 1.067 128 HB2 ALA 24 HB2 ALA 24 7.431 -6.147 1.549 129 HB3 ALA 24 HB3 ALA 24 6.625 -7.290 2.626 130 H ARG 25 H ARG 25 9.965 -9.414 1.591 131 HA ARG 25 HA ARG 25 10.153 -11.245 3.663 132 HB2 ARG 25 HB2 ARG 25 7.650 -11.473 3.285 133 HB3 ARG 25 HB3 ARG 25 8.002 -11.985 1.643 134 HG2 ARG 25 HG2 ARG 25 9.218 -13.917 2.496 135 HG3 ARG 25 HG3 ARG 25 8.882 -13.403 4.148 136 HD2 ARG 25 HD2 ARG 25 6.859 -14.199 2.061 137 HD3 ARG 25 HD3 ARG 25 7.322 -15.139 3.477 138 HE ARG 25 HE ARG 25 5.897 -12.573 3.517 139 HH11 ARG 25 HH11 ARG 25 6.619 -15.693 5.040 140 HH12 ARG 25 HH12 ARG 25 5.427 -15.542 6.243 141 HH21 ARG 25 HH21 ARG 25 4.282 -12.356 5.162 142 HH22 ARG 25 HH22 ARG 25 4.078 -13.575 6.332 143 H SER 26 H SER 26 9.597 -10.742 0.251 144 HA SER 26 HA SER 26 12.166 -11.975 -0.307 145 HB2 SER 26 HB2 SER 26 10.186 -13.418 -1.008 146 HB3 SER 26 HB3 SER 26 9.692 -12.103 -2.073 147 HG SER 26 HG SER 26 10.960 -13.810 -3.024 148 H GLY 27 H GLY 27 12.448 -11.119 -2.867 149 HA2 GLY 27 HA2 GLY 27 11.824 -8.263 -2.838 150 HA3 GLY 27 HA3 GLY 27 13.501 -8.772 -3.003 151 H GLY 28 H GLY 28 12.918 -7.389 -4.997 152 HA2 GLY 28 HA2 GLY 28 13.145 -7.637 -7.330 153 HA3 GLY 28 HA3 GLY 28 12.570 -9.293 -7.175 154 H ALA 29 H ALA 29 10.470 -9.730 -7.407 155 HA ALA 29 HA ALA 29 8.560 -7.544 -7.469 156 HB1 ALA 29 HB1 ALA 29 8.858 -9.595 -9.663 157 HB2 ALA 29 HB2 ALA 29 9.248 -7.878 -9.788 158 HB3 ALA 29 HB3 ALA 29 7.577 -8.391 -9.538 159 H ALA 30 H ALA 30 7.102 -8.094 -6.032 160 HA ALA 30 HA ALA 30 5.754 -10.576 -6.094 161 HB1 ALA 30 HB1 ALA 30 7.719 -11.260 -4.767 162 HB2 ALA 30 HB2 ALA 30 6.286 -11.164 -3.742 163 HB3 ALA 30 HB3 ALA 30 7.486 -9.873 -3.702 164 H GLY 31 H GLY 31 3.983 -10.425 -4.504 165 HA2 GLY 31 HA2 GLY 31 2.428 -9.359 -3.217 166 HA3 GLY 31 HA3 GLY 31 3.642 -8.143 -2.871 Start of MODEL 4 1 HA ALA 1 HA ALA 1 -4.267 -5.270 -10.407 2 HB1 ALA 1 HB1 ALA 1 -3.046 -7.344 -8.577 3 HB2 ALA 1 HB2 ALA 1 -3.841 -7.671 -10.119 4 HB3 ALA 1 HB3 ALA 1 -4.771 -7.031 -8.763 5 H GLY 2 H GLY 2 -1.537 -5.053 -8.272 6 HA2 GLY 2 HA2 GLY 2 -1.279 -2.915 -7.213 7 HA3 GLY 2 HA3 GLY 2 -2.992 -2.979 -6.828 8 H CYS 3 H CYS 3 -2.190 -2.575 -4.697 9 HA CYS 3 HA CYS 3 -1.540 -5.055 -3.331 10 HB2 CYS 3 HB2 CYS 3 -0.269 -2.367 -3.006 11 HB3 CYS 3 HB3 CYS 3 -0.120 -3.648 -1.818 12 H ASP 4 H ASP 4 -2.261 -5.015 -1.102 13 HA ASP 4 HA ASP 4 -4.440 -3.087 -0.645 14 HB2 ASP 4 HB2 ASP 4 -5.074 -5.456 -1.317 15 HB3 ASP 4 HB3 ASP 4 -4.368 -5.979 0.210 16 H ASP 5 H ASP 5 -5.077 -3.746 1.933 17 HA ASP 5 HA ASP 5 -2.799 -2.605 3.336 18 HB2 ASP 5 HB2 ASP 5 -4.276 -2.306 5.271 19 HB3 ASP 5 HB3 ASP 5 -5.072 -1.705 3.834 20 H LYS 6 H LYS 6 -4.333 -5.554 2.894 21 HA LYS 6 HA LYS 6 -3.214 -6.975 5.112 22 HB2 LYS 6 HB2 LYS 6 -4.138 -8.049 2.444 23 HB3 LYS 6 HB3 LYS 6 -3.982 -8.956 3.941 24 HG2 LYS 6 HG2 LYS 6 -5.915 -6.687 3.499 25 HG3 LYS 6 HG3 LYS 6 -6.309 -8.396 3.351 26 HD2 LYS 6 HD2 LYS 6 -5.869 -8.759 5.685 27 HD3 LYS 6 HD3 LYS 6 -5.244 -7.117 5.867 28 HE2 LYS 6 HE2 LYS 6 -7.377 -6.174 5.465 29 HE3 LYS 6 HE3 LYS 6 -8.065 -7.714 4.984 30 HZ1 LYS 6 HZ1 LYS 6 -7.752 -8.498 7.241 31 HZ2 LYS 6 HZ2 LYS 6 -8.699 -7.112 7.241 32 HZ3 LYS 6 HZ3 LYS 6 -7.071 -7.031 7.698 33 H CYS 7 H CYS 7 -1.982 -5.689 2.292 34 HA CYS 7 HA CYS 7 0.065 -7.673 1.803 35 HB2 CYS 7 HB2 CYS 7 -1.175 -6.031 0.121 36 HB3 CYS 7 HB3 CYS 7 0.143 -4.960 0.578 37 H GLY 8 H GLY 8 -0.400 -4.835 3.712 38 HA2 GLY 8 HA2 GLY 8 1.055 -4.104 5.407 39 HA3 GLY 8 HA3 GLY 8 2.357 -5.033 4.664 40 H CYS 9 H CYS 9 0.917 -3.663 2.251 41 HA CYS 9 HA CYS 9 2.892 -1.600 1.925 42 HB2 CYS 9 HB2 CYS 9 0.959 -3.051 0.246 43 HB3 CYS 9 HB3 CYS 9 1.484 -1.508 -0.317 44 H ALA 10 H ALA 10 2.074 0.405 0.878 45 HA ALA 10 HA ALA 10 0.127 1.708 2.458 46 HB1 ALA 10 HB1 ALA 10 1.457 2.427 -0.139 47 HB2 ALA 10 HB2 ALA 10 2.014 2.879 1.473 48 HB3 ALA 10 HB3 ALA 10 0.500 3.545 0.836 49 H VAL 11 H VAL 11 -1.865 2.567 1.639 50 HA VAL 11 HA VAL 11 -2.963 1.274 -0.742 51 HB VAL 11 HB VAL 11 -4.496 1.577 1.856 52 HG11 VAL 11 HG11 VAL 11 -5.223 0.171 -0.706 53 HG12 VAL 11 HG12 VAL 11 -5.907 1.679 -0.101 54 HG13 VAL 11 HG13 VAL 11 -6.185 0.172 0.773 55 HG21 VAL 11 HG21 VAL 11 -3.311 -0.939 0.679 56 HG22 VAL 11 HG22 VAL 11 -4.414 -0.885 2.041 57 HG23 VAL 11 HG23 VAL 11 -2.818 -0.159 2.178 58 HA PRO 12 HA PRO 12 -3.636 1.934 -2.562 59 HB2 PRO 12 HB2 PRO 12 -2.890 3.726 -4.446 60 HB3 PRO 12 HB3 PRO 12 -4.585 3.436 -4.042 61 HG2 PRO 12 HG2 PRO 12 -2.774 5.639 -3.142 62 HG3 PRO 12 HG3 PRO 12 -4.464 5.729 -3.673 63 HD2 PRO 12 HD2 PRO 12 -3.754 5.754 -1.063 64 HD3 PRO 12 HD3 PRO 12 -5.272 5.038 -1.633 65 H CYS 13 H CYS 13 -1.733 1.096 -3.433 66 HA CYS 13 HA CYS 13 0.612 2.114 -2.154 67 HB2 CYS 13 HB2 CYS 13 0.217 -0.302 -2.124 68 HB3 CYS 13 HB3 CYS 13 0.345 -0.386 -3.898 69 HA PRO 14 HA PRO 14 1.481 4.608 -5.628 70 HB2 PRO 14 HB2 PRO 14 3.780 5.684 -4.812 71 HB3 PRO 14 HB3 PRO 14 2.261 6.016 -3.975 72 HG2 PRO 14 HG2 PRO 14 4.450 4.119 -3.224 73 HG3 PRO 14 HG3 PRO 14 3.531 5.224 -2.190 74 HD2 PRO 14 HD2 PRO 14 3.000 2.531 -2.448 75 HD3 PRO 14 HD3 PRO 14 1.802 3.760 -1.963 76 H GLY 15 H GLY 15 3.705 2.151 -4.657 77 HA2 GLY 15 HA2 GLY 15 4.636 0.721 -6.376 78 HA3 GLY 15 HA3 GLY 15 4.802 2.151 -7.387 79 H GLY 16 H GLY 16 5.929 3.853 -5.371 80 HA2 GLY 16 HA2 GLY 16 8.646 2.925 -5.562 81 HA3 GLY 16 HA3 GLY 16 8.111 4.474 -4.930 82 H THR 17 H THR 17 8.502 4.772 -2.826 83 HA THR 17 HA THR 17 9.606 2.777 -1.186 84 HB THR 17 HB THR 17 9.289 4.541 0.601 85 HG1 THR 17 HG1 THR 17 8.523 6.536 -0.105 86 HG21 THR 17 HG21 THR 17 10.648 5.300 -1.985 87 HG22 THR 17 HG22 THR 17 11.347 4.327 -0.692 88 HG23 THR 17 HG23 THR 17 10.972 6.031 -0.414 89 H GLY 18 H GLY 18 6.389 3.882 -1.674 90 HA2 GLY 18 HA2 GLY 18 5.259 2.739 0.677 91 HA3 GLY 18 HA3 GLY 18 4.370 3.212 -0.767 92 H CYS 19 H CYS 19 6.622 1.302 -2.063 93 HA CYS 19 HA CYS 19 4.791 -0.864 -1.867 94 HB2 CYS 19 HB2 CYS 19 5.624 -0.189 -4.151 95 HB3 CYS 19 HB3 CYS 19 7.192 -0.879 -3.687 96 H ARG 20 H ARG 20 5.230 -1.660 0.102 97 HA ARG 20 HA ARG 20 7.828 -2.632 0.716 98 HB2 ARG 20 HB2 ARG 20 5.156 -3.021 2.088 99 HB3 ARG 20 HB3 ARG 20 6.715 -3.488 2.764 100 HG2 ARG 20 HG2 ARG 20 7.433 -1.228 2.921 101 HG3 ARG 20 HG3 ARG 20 6.071 -0.663 1.958 102 HD2 ARG 20 HD2 ARG 20 4.550 -1.357 3.699 103 HD3 ARG 20 HD3 ARG 20 5.910 -1.901 4.699 104 HE ARG 20 HE ARG 20 6.499 0.673 4.184 105 HH11 ARG 20 HH11 ARG 20 3.506 -0.847 5.304 106 HH12 ARG 20 HH12 ARG 20 3.028 0.447 6.294 107 HH21 ARG 20 HH21 ARG 20 5.864 2.495 5.542 108 HH22 ARG 20 HH22 ARG 20 4.445 2.415 6.445 109 H CYS 21 H CYS 21 7.687 -3.557 -1.347 110 HA CYS 21 HA CYS 21 7.431 -6.467 -1.204 111 HB2 CYS 21 HB2 CYS 21 6.074 -4.701 -3.232 112 HB3 CYS 21 HB3 CYS 21 6.816 -6.171 -3.810 113 H THR 22 H THR 22 9.466 -4.357 -0.986 114 HA THR 22 HA THR 22 11.019 -4.792 -3.429 115 HB THR 22 HB THR 22 12.104 -2.560 -2.752 116 HG1 THR 22 HG1 THR 22 9.681 -1.870 -1.574 117 HG21 THR 22 HG21 THR 22 9.218 -2.605 -3.670 118 HG22 THR 22 HG22 THR 22 10.642 -2.771 -4.704 119 HG23 THR 22 HG23 THR 22 10.330 -1.251 -3.872 120 H SER 23 H SER 23 11.386 -3.922 -0.009 121 HA SER 23 HA SER 23 14.128 -4.725 0.055 122 HB2 SER 23 HB2 SER 23 12.321 -4.031 2.370 123 HB3 SER 23 HB3 SER 23 14.083 -3.938 2.316 124 HG SER 23 HG SER 23 13.453 -2.487 0.352 125 H ALA 24 H ALA 24 11.059 -6.147 0.900 126 HA ALA 24 HA ALA 24 12.454 -8.476 2.008 127 HB1 ALA 24 HB1 ALA 24 9.609 -7.573 2.476 128 HB2 ALA 24 HB2 ALA 24 10.947 -7.396 3.613 129 HB3 ALA 24 HB3 ALA 24 10.363 -9.004 3.181 130 H ARG 25 H ARG 25 11.238 -10.563 1.565 131 HA ARG 25 HA ARG 25 10.770 -10.713 -1.274 132 HB2 ARG 25 HB2 ARG 25 10.584 -12.901 0.801 133 HB3 ARG 25 HB3 ARG 25 10.561 -13.116 -0.936 134 HG2 ARG 25 HG2 ARG 25 12.877 -12.257 -1.035 135 HG3 ARG 25 HG3 ARG 25 12.872 -12.169 0.733 136 HD2 ARG 25 HD2 ARG 25 12.331 -14.577 0.818 137 HD3 ARG 25 HD3 ARG 25 12.431 -14.619 -0.937 138 HE ARG 25 HE ARG 25 14.796 -13.615 0.267 139 HH11 ARG 25 HH11 ARG 25 13.087 -16.597 -0.635 140 HH12 ARG 25 HH12 ARG 25 14.486 -17.564 -0.623 141 HH21 ARG 25 HH21 ARG 25 16.714 -14.954 0.256 142 HH22 ARG 25 HH22 ARG 25 16.603 -16.610 -0.143 143 H SER 26 H SER 26 8.889 -9.663 -1.616 144 HA SER 26 HA SER 26 6.489 -11.164 -1.109 145 HB2 SER 26 HB2 SER 26 6.742 -8.256 -0.253 146 HB3 SER 26 HB3 SER 26 5.266 -9.223 -0.232 147 HG SER 26 HG SER 26 7.152 -10.541 1.036 148 H GLY 27 H GLY 27 5.063 -10.819 -2.806 149 HA2 GLY 27 HA2 GLY 27 5.807 -8.689 -4.704 150 HA3 GLY 27 HA3 GLY 27 5.467 -10.321 -5.264 151 H GLY 28 H GLY 28 3.320 -11.141 -4.191 152 HA2 GLY 28 HA2 GLY 28 1.054 -10.844 -3.880 153 HA3 GLY 28 HA3 GLY 28 1.292 -9.103 -4.036 154 H ALA 29 H ALA 29 0.704 -8.171 -5.890 155 HA ALA 29 HA ALA 29 0.715 -9.708 -8.329 156 HB1 ALA 29 HB1 ALA 29 -1.838 -8.519 -7.255 157 HB2 ALA 29 HB2 ALA 29 -1.476 -10.239 -7.412 158 HB3 ALA 29 HB3 ALA 29 -1.628 -9.233 -8.854 159 H ALA 30 H ALA 30 2.186 -8.296 -9.129 160 HA ALA 30 HA ALA 30 1.878 -5.472 -9.020 161 HB1 ALA 30 HB1 ALA 30 3.766 -5.401 -10.575 162 HB2 ALA 30 HB2 ALA 30 3.614 -7.133 -10.853 163 HB3 ALA 30 HB3 ALA 30 4.089 -6.535 -9.263 164 H GLY 31 H GLY 31 0.389 -4.435 -10.047 165 HA2 GLY 31 HA2 GLY 31 -0.352 -3.710 -12.299 166 HA3 GLY 31 HA3 GLY 31 -0.539 -5.427 -12.666 Start of MODEL 5 1 HA ALA 1 HA ALA 1 1.573 -6.700 -7.843 2 HB1 ALA 1 HB1 ALA 1 0.058 -6.674 -9.778 3 HB2 ALA 1 HB2 ALA 1 -0.931 -7.923 -9.022 4 HB3 ALA 1 HB3 ALA 1 0.720 -8.290 -9.523 5 H GLY 2 H GLY 2 -1.706 -7.424 -6.753 6 HA2 GLY 2 HA2 GLY 2 -2.286 -4.610 -6.392 7 HA3 GLY 2 HA3 GLY 2 -3.383 -5.968 -6.112 8 H CYS 3 H CYS 3 -1.989 -3.624 -4.493 9 HA CYS 3 HA CYS 3 -1.468 -5.333 -2.169 10 HB2 CYS 3 HB2 CYS 3 -0.191 -2.730 -2.841 11 HB3 CYS 3 HB3 CYS 3 0.137 -3.735 -1.451 12 H ASP 4 H ASP 4 -2.363 -4.585 -0.276 13 HA ASP 4 HA ASP 4 -3.483 -1.921 -0.124 14 HB2 ASP 4 HB2 ASP 4 -5.183 -3.782 -0.909 15 HB3 ASP 4 HB3 ASP 4 -5.096 -4.317 0.763 16 H ASP 5 H ASP 5 -4.687 -2.612 2.516 17 HA ASP 5 HA ASP 5 -2.238 -2.347 4.004 18 HB2 ASP 5 HB2 ASP 5 -3.467 -1.961 5.994 19 HB3 ASP 5 HB3 ASP 5 -4.492 -1.318 4.729 20 H LYS 6 H LYS 6 -4.281 -4.984 3.295 21 HA LYS 6 HA LYS 6 -3.354 -6.773 5.228 22 HB2 LYS 6 HB2 LYS 6 -4.703 -7.123 2.605 23 HB3 LYS 6 HB3 LYS 6 -4.154 -8.523 3.521 24 HG2 LYS 6 HG2 LYS 6 -5.446 -7.843 5.426 25 HG3 LYS 6 HG3 LYS 6 -5.953 -6.376 4.599 26 HD2 LYS 6 HD2 LYS 6 -6.566 -9.168 3.635 27 HD3 LYS 6 HD3 LYS 6 -7.598 -8.174 4.680 28 HE2 LYS 6 HE2 LYS 6 -7.800 -6.491 2.966 29 HE3 LYS 6 HE3 LYS 6 -6.657 -7.342 1.926 30 HZ1 LYS 6 HZ1 LYS 6 -8.952 -7.650 1.260 31 HZ2 LYS 6 HZ2 LYS 6 -9.324 -8.348 2.753 32 HZ3 LYS 6 HZ3 LYS 6 -8.255 -9.114 1.704 33 H CYS 7 H CYS 7 -1.907 -5.638 2.327 34 HA CYS 7 HA CYS 7 -0.068 -7.848 2.090 35 HB2 CYS 7 HB2 CYS 7 -0.699 -6.435 0.067 36 HB3 CYS 7 HB3 CYS 7 0.254 -5.129 0.781 37 H GLY 8 H GLY 8 -0.152 -4.711 3.605 38 HA2 GLY 8 HA2 GLY 8 1.412 -3.910 5.141 39 HA3 GLY 8 HA3 GLY 8 2.511 -5.208 4.663 40 H CYS 9 H CYS 9 0.761 -2.986 2.639 41 HA CYS 9 HA CYS 9 3.244 -1.658 1.922 42 HB2 CYS 9 HB2 CYS 9 1.269 -3.040 0.248 43 HB3 CYS 9 HB3 CYS 9 1.762 -1.469 -0.319 44 H ALA 10 H ALA 10 2.431 0.415 0.550 45 HA ALA 10 HA ALA 10 0.951 1.959 2.355 46 HB1 ALA 10 HB1 ALA 10 1.693 2.399 -0.523 47 HB2 ALA 10 HB2 ALA 10 2.649 2.883 0.879 48 HB3 ALA 10 HB3 ALA 10 1.083 3.652 0.563 49 H VAL 11 H VAL 11 -1.102 2.931 1.938 50 HA VAL 11 HA VAL 11 -2.822 1.361 0.158 51 HB VAL 11 HB VAL 11 -3.680 2.506 2.827 52 HG11 VAL 11 HG11 VAL 11 -5.502 2.239 1.259 53 HG12 VAL 11 HG12 VAL 11 -5.648 1.068 2.571 54 HG13 VAL 11 HG13 VAL 11 -5.055 0.553 0.992 55 HG21 VAL 11 HG21 VAL 11 -2.957 -0.371 2.224 56 HG22 VAL 11 HG22 VAL 11 -3.635 0.233 3.734 57 HG23 VAL 11 HG23 VAL 11 -2.032 0.742 3.224 58 HA PRO 12 HA PRO 12 -3.637 1.645 -1.563 59 HB2 PRO 12 HB2 PRO 12 -3.531 2.777 -3.998 60 HB3 PRO 12 HB3 PRO 12 -5.028 2.746 -3.059 61 HG2 PRO 12 HG2 PRO 12 -3.091 4.980 -3.464 62 HG3 PRO 12 HG3 PRO 12 -4.862 5.028 -3.408 63 HD2 PRO 12 HD2 PRO 12 -3.213 5.702 -1.303 64 HD3 PRO 12 HD3 PRO 12 -4.892 5.181 -1.122 65 H CYS 13 H CYS 13 -2.013 0.686 -3.014 66 HA CYS 13 HA CYS 13 0.521 1.803 -2.297 67 HB2 CYS 13 HB2 CYS 13 0.150 -0.617 -2.011 68 HB3 CYS 13 HB3 CYS 13 0.085 -0.805 -3.787 69 HA PRO 14 HA PRO 14 0.694 3.810 -6.242 70 HB2 PRO 14 HB2 PRO 14 2.574 5.551 -5.637 71 HB3 PRO 14 HB3 PRO 14 1.003 5.609 -4.819 72 HG2 PRO 14 HG2 PRO 14 3.632 4.594 -3.831 73 HG3 PRO 14 HG3 PRO 14 2.367 5.463 -2.949 74 HD2 PRO 14 HD2 PRO 14 2.758 2.661 -2.941 75 HD3 PRO 14 HD3 PRO 14 1.313 3.554 -2.395 76 H GLY 15 H GLY 15 3.284 2.041 -4.884 77 HA2 GLY 15 HA2 GLY 15 4.877 0.833 -6.272 78 HA3 GLY 15 HA3 GLY 15 4.817 2.192 -7.399 79 H GLY 16 H GLY 16 7.246 1.849 -6.955 80 HA2 GLY 16 HA2 GLY 16 9.179 2.727 -6.126 81 HA3 GLY 16 HA3 GLY 16 8.200 4.107 -5.654 82 H THR 17 H THR 17 8.719 4.603 -3.656 83 HA THR 17 HA THR 17 9.705 2.817 -1.713 84 HB THR 17 HB THR 17 8.565 5.604 -1.382 85 HG1 THR 17 HG1 THR 17 11.007 4.574 -2.285 86 HG21 THR 17 HG21 THR 17 8.891 4.386 0.759 87 HG22 THR 17 HG22 THR 17 10.012 5.735 0.593 88 HG23 THR 17 HG23 THR 17 10.571 4.087 0.310 89 H GLY 18 H GLY 18 6.515 3.947 -2.564 90 HA2 GLY 18 HA2 GLY 18 5.190 3.218 -0.156 91 HA3 GLY 18 HA3 GLY 18 4.437 3.501 -1.721 92 H CYS 19 H CYS 19 6.432 1.451 -2.810 93 HA CYS 19 HA CYS 19 4.648 -0.662 -2.223 94 HB2 CYS 19 HB2 CYS 19 5.332 -0.275 -4.604 95 HB3 CYS 19 HB3 CYS 19 6.951 -0.838 -4.180 96 H ARG 20 H ARG 20 5.315 -1.107 -0.080 97 HA ARG 20 HA ARG 20 7.920 -1.989 0.609 98 HB2 ARG 20 HB2 ARG 20 5.237 -2.415 1.951 99 HB3 ARG 20 HB3 ARG 20 6.737 -3.015 2.625 100 HG2 ARG 20 HG2 ARG 20 7.554 -0.806 2.990 101 HG3 ARG 20 HG3 ARG 20 6.242 -0.102 2.046 102 HD2 ARG 20 HD2 ARG 20 5.902 0.138 4.493 103 HD3 ARG 20 HD3 ARG 20 4.617 -0.770 3.708 104 HE ARG 20 HE ARG 20 6.731 -2.352 4.868 105 HH11 ARG 20 HH11 ARG 20 3.598 -0.818 5.476 106 HH12 ARG 20 HH12 ARG 20 3.101 -1.899 6.697 107 HH21 ARG 20 HH21 ARG 20 6.045 -3.887 6.589 108 HH22 ARG 20 HH22 ARG 20 4.534 -3.665 7.342 109 H CYS 21 H CYS 21 7.627 -3.153 -1.559 110 HA CYS 21 HA CYS 21 7.554 -6.028 -0.943 111 HB2 CYS 21 HB2 CYS 21 6.309 -4.596 -3.232 112 HB3 CYS 21 HB3 CYS 21 7.238 -6.012 -3.661 113 H THR 22 H THR 22 9.304 -3.310 -1.754 114 HA THR 22 HA THR 22 11.425 -4.880 -3.000 115 HB THR 22 HB THR 22 10.603 -2.816 -4.219 116 HG1 THR 22 HG1 THR 22 12.508 -2.956 -4.929 117 HG21 THR 22 HG21 THR 22 10.074 -1.397 -2.300 118 HG22 THR 22 HG22 THR 22 11.236 -0.592 -3.354 119 HG23 THR 22 HG23 THR 22 11.779 -1.347 -1.854 120 H SER 23 H SER 23 10.332 -3.700 -0.116 121 HA SER 23 HA SER 23 13.011 -3.426 1.063 122 HB2 SER 23 HB2 SER 23 10.395 -2.269 2.046 123 HB3 SER 23 HB3 SER 23 12.014 -1.906 2.646 124 HG SER 23 HG SER 23 12.478 -1.128 0.499 125 H ALA 24 H ALA 24 11.040 -5.760 0.565 126 HA ALA 24 HA ALA 24 10.327 -6.519 3.277 127 HB1 ALA 24 HB1 ALA 24 9.017 -8.293 2.257 128 HB2 ALA 24 HB2 ALA 24 9.672 -7.900 0.672 129 HB3 ALA 24 HB3 ALA 24 8.628 -6.747 1.503 130 H ARG 25 H ARG 25 12.746 -7.082 0.947 131 HA ARG 25 HA ARG 25 14.620 -8.327 0.909 132 HB2 ARG 25 HB2 ARG 25 13.931 -8.693 3.825 133 HB3 ARG 25 HB3 ARG 25 15.408 -9.326 3.121 134 HG2 ARG 25 HG2 ARG 25 16.162 -7.118 2.569 135 HG3 ARG 25 HG3 ARG 25 14.614 -6.432 3.057 136 HD2 ARG 25 HD2 ARG 25 16.493 -7.888 4.903 137 HD3 ARG 25 HD3 ARG 25 16.418 -6.133 4.728 138 HE ARG 25 HE ARG 25 14.074 -7.701 5.541 139 HH11 ARG 25 HH11 ARG 25 16.396 -5.129 6.228 140 HH12 ARG 25 HH12 ARG 25 15.485 -4.431 7.484 141 HH21 ARG 25 HH21 ARG 25 12.838 -6.778 7.275 142 HH22 ARG 25 HH22 ARG 25 13.410 -5.420 8.109 143 H SER 26 H SER 26 11.935 -9.522 0.394 144 HA SER 26 HA SER 26 12.752 -12.185 -0.015 145 HB2 SER 26 HB2 SER 26 12.144 -12.145 2.458 146 HB3 SER 26 HB3 SER 26 10.507 -11.720 1.981 147 HG SER 26 HG SER 26 11.869 -14.091 1.850 148 H GLY 27 H GLY 27 10.612 -13.364 -0.787 149 HA2 GLY 27 HA2 GLY 27 8.483 -13.174 -1.791 150 HA3 GLY 27 HA3 GLY 27 8.775 -11.454 -2.018 151 H GLY 28 H GLY 28 10.112 -10.773 -3.685 152 HA2 GLY 28 HA2 GLY 28 11.142 -10.936 -5.769 153 HA3 GLY 28 HA3 GLY 28 11.056 -12.694 -5.636 154 H ALA 29 H ALA 29 8.964 -9.889 -5.934 155 HA ALA 29 HA ALA 29 7.145 -9.400 -7.088 156 HB1 ALA 29 HB1 ALA 29 6.534 -10.593 -9.158 157 HB2 ALA 29 HB2 ALA 29 7.715 -11.850 -8.781 158 HB3 ALA 29 HB3 ALA 29 8.253 -10.206 -9.123 159 H ALA 30 H ALA 30 5.990 -9.652 -5.277 160 HA ALA 30 HA ALA 30 4.155 -11.926 -5.327 161 HB1 ALA 30 HB1 ALA 30 5.476 -10.795 -2.859 162 HB2 ALA 30 HB2 ALA 30 5.846 -12.350 -3.595 163 HB3 ALA 30 HB3 ALA 30 4.255 -12.067 -2.888 164 H GLY 31 H GLY 31 2.216 -11.108 -5.613 165 HA2 GLY 31 HA2 GLY 31 0.280 -9.983 -5.063 166 HA3 GLY 31 HA3 GLY 31 1.164 -9.167 -3.787 Start of MODEL 6 1 HA ALA 1 HA ALA 1 3.419 -2.935 -5.861 2 HB1 ALA 1 HB1 ALA 1 2.287 -2.849 -8.643 3 HB2 ALA 1 HB2 ALA 1 3.990 -2.680 -8.221 4 HB3 ALA 1 HB3 ALA 1 2.825 -1.465 -7.692 5 H GLY 2 H GLY 2 0.639 -4.443 -7.423 6 HA2 GLY 2 HA2 GLY 2 -1.341 -2.704 -6.324 7 HA3 GLY 2 HA3 GLY 2 -1.639 -4.284 -7.040 8 H CYS 3 H CYS 3 -1.309 -2.515 -4.187 9 HA CYS 3 HA CYS 3 -1.203 -4.950 -2.539 10 HB2 CYS 3 HB2 CYS 3 -0.258 -2.178 -2.020 11 HB3 CYS 3 HB3 CYS 3 -0.226 -3.461 -0.821 12 H ASP 4 H ASP 4 -2.351 -4.902 -0.564 13 HA ASP 4 HA ASP 4 -4.575 -2.996 -0.418 14 HB2 ASP 4 HB2 ASP 4 -5.252 -5.303 -1.308 15 HB3 ASP 4 HB3 ASP 4 -4.668 -5.968 0.210 16 H ASP 5 H ASP 5 -5.548 -3.802 2.003 17 HA ASP 5 HA ASP 5 -3.609 -2.705 3.827 18 HB2 ASP 5 HB2 ASP 5 -5.947 -2.064 4.084 19 HB3 ASP 5 HB3 ASP 5 -6.437 -3.743 4.226 20 H LYS 6 H LYS 6 -4.606 -5.714 2.775 21 HA LYS 6 HA LYS 6 -4.136 -7.576 4.793 22 HB2 LYS 6 HB2 LYS 6 -3.333 -7.858 1.892 23 HB3 LYS 6 HB3 LYS 6 -3.684 -9.158 3.016 24 HG2 LYS 6 HG2 LYS 6 -5.687 -7.112 2.099 25 HG3 LYS 6 HG3 LYS 6 -5.493 -8.712 1.392 26 HD2 LYS 6 HD2 LYS 6 -6.157 -9.766 3.426 27 HD3 LYS 6 HD3 LYS 6 -6.107 -8.240 4.304 28 HE2 LYS 6 HE2 LYS 6 -7.956 -8.843 2.000 29 HE3 LYS 6 HE3 LYS 6 -8.411 -8.944 3.698 30 HZ1 LYS 6 HZ1 LYS 6 -7.942 -6.595 3.931 31 HZ2 LYS 6 HZ2 LYS 6 -9.073 -6.828 2.705 32 HZ3 LYS 6 HZ3 LYS 6 -7.484 -6.458 2.317 33 H CYS 7 H CYS 7 -1.953 -5.885 2.722 34 HA CYS 7 HA CYS 7 0.487 -7.183 3.290 35 HB2 CYS 7 HB2 CYS 7 -0.432 -4.634 2.187 36 HB3 CYS 7 HB3 CYS 7 1.244 -4.803 2.626 37 H GLY 8 H GLY 8 -1.195 -4.358 4.622 38 HA2 GLY 8 HA2 GLY 8 -0.576 -3.078 6.447 39 HA3 GLY 8 HA3 GLY 8 0.945 -3.977 6.539 40 H CYS 9 H CYS 9 0.010 -3.052 3.388 41 HA CYS 9 HA CYS 9 2.081 -1.024 3.253 42 HB2 CYS 9 HB2 CYS 9 0.619 -2.702 1.313 43 HB3 CYS 9 HB3 CYS 9 0.975 -1.120 0.740 44 H ALA 10 H ALA 10 1.413 0.864 1.897 45 HA ALA 10 HA ALA 10 -0.856 2.210 2.910 46 HB1 ALA 10 HB1 ALA 10 0.818 2.729 0.466 47 HB2 ALA 10 HB2 ALA 10 1.104 3.391 2.076 48 HB3 ALA 10 HB3 ALA 10 -0.327 3.884 1.155 49 H VAL 11 H VAL 11 -2.843 2.686 1.866 50 HA VAL 11 HA VAL 11 -3.487 1.153 -0.547 51 HB VAL 11 HB VAL 11 -5.374 1.523 1.796 52 HG11 VAL 11 HG11 VAL 11 -6.512 1.301 -0.324 53 HG12 VAL 11 HG12 VAL 11 -6.769 -0.141 0.658 54 HG13 VAL 11 HG13 VAL 11 -5.617 -0.177 -0.676 55 HG21 VAL 11 HG21 VAL 11 -3.589 0.019 2.482 56 HG22 VAL 11 HG22 VAL 11 -3.838 -0.959 1.036 57 HG23 VAL 11 HG23 VAL 11 -5.096 -0.872 2.267 58 HA PRO 12 HA PRO 12 -3.788 1.648 -2.454 59 HB2 PRO 12 HB2 PRO 12 -3.087 3.362 -4.419 60 HB3 PRO 12 HB3 PRO 12 -4.757 2.833 -4.201 61 HG2 PRO 12 HG2 PRO 12 -3.456 5.386 -3.353 62 HG3 PRO 12 HG3 PRO 12 -5.056 5.127 -4.074 63 HD2 PRO 12 HD2 PRO 12 -4.661 5.519 -1.412 64 HD3 PRO 12 HD3 PRO 12 -6.002 4.563 -2.067 65 H CYS 13 H CYS 13 -1.639 1.290 -3.280 66 HA CYS 13 HA CYS 13 0.326 2.602 -1.591 67 HB2 CYS 13 HB2 CYS 13 0.103 0.178 -1.380 68 HB3 CYS 13 HB3 CYS 13 0.461 -0.044 -3.104 69 HA PRO 14 HA PRO 14 1.927 4.850 -5.075 70 HB2 PRO 14 HB2 PRO 14 4.563 5.093 -4.315 71 HB3 PRO 14 HB3 PRO 14 3.255 6.113 -3.717 72 HG2 PRO 14 HG2 PRO 14 4.552 3.754 -2.443 73 HG3 PRO 14 HG3 PRO 14 3.988 5.258 -1.701 74 HD2 PRO 14 HD2 PRO 14 2.626 2.936 -1.538 75 HD3 PRO 14 HD3 PRO 14 1.804 4.513 -1.574 76 H GLY 15 H GLY 15 3.439 1.921 -4.107 77 HA2 GLY 15 HA2 GLY 15 3.751 0.110 -5.632 78 HA3 GLY 15 HA3 GLY 15 3.785 1.272 -6.938 79 H GLY 16 H GLY 16 5.837 2.953 -6.125 80 HA2 GLY 16 HA2 GLY 16 8.061 1.208 -6.800 81 HA3 GLY 16 HA3 GLY 16 8.079 2.958 -6.805 82 H THR 17 H THR 17 9.298 3.872 -5.318 83 HA THR 17 HA THR 17 10.783 2.424 -3.442 84 HB THR 17 HB THR 17 10.263 5.407 -3.547 85 HG1 THR 17 HG1 THR 17 12.321 3.862 -4.755 86 HG21 THR 17 HG21 THR 17 11.397 4.692 -1.474 87 HG22 THR 17 HG22 THR 17 12.504 5.588 -2.515 88 HG23 THR 17 HG23 THR 17 12.606 3.832 -2.426 89 H GLY 18 H GLY 18 7.735 4.096 -3.194 90 HA2 GLY 18 HA2 GLY 18 7.674 4.012 -0.308 91 HA3 GLY 18 HA3 GLY 18 6.380 4.564 -1.365 92 H CYS 19 H CYS 19 7.619 1.515 -2.252 93 HA CYS 19 HA CYS 19 5.343 0.315 -0.967 94 HB2 CYS 19 HB2 CYS 19 5.419 -0.049 -3.337 95 HB3 CYS 19 HB3 CYS 19 7.040 -0.714 -3.208 96 H ARG 20 H ARG 20 5.637 -0.988 0.670 97 HA ARG 20 HA ARG 20 8.217 -1.767 1.604 98 HB2 ARG 20 HB2 ARG 20 5.441 -2.483 2.515 99 HB3 ARG 20 HB3 ARG 20 6.916 -2.782 3.427 100 HG2 ARG 20 HG2 ARG 20 7.322 -0.391 3.597 101 HG3 ARG 20 HG3 ARG 20 5.888 -0.062 2.626 102 HD2 ARG 20 HD2 ARG 20 5.447 0.228 5.003 103 HD3 ARG 20 HD3 ARG 20 4.482 -1.069 4.318 104 HE ARG 20 HE ARG 20 6.946 -2.036 5.329 105 HH11 ARG 20 HH11 ARG 20 3.820 -0.928 6.526 106 HH12 ARG 20 HH12 ARG 20 3.824 -1.979 7.871 107 HH21 ARG 20 HH21 ARG 20 6.943 -3.456 7.148 108 HH22 ARG 20 HH22 ARG 20 5.646 -3.433 8.252 109 H CYS 21 H CYS 21 7.308 -2.864 -1.008 110 HA CYS 21 HA CYS 21 7.706 -5.724 -0.537 111 HB2 CYS 21 HB2 CYS 21 5.561 -4.452 -2.256 112 HB3 CYS 21 HB3 CYS 21 6.182 -6.059 -2.618 113 H THR 22 H THR 22 9.266 -3.283 -1.373 114 HA THR 22 HA THR 22 9.908 -4.008 -4.132 115 HB THR 22 HB THR 22 10.716 -1.532 -2.589 116 HG1 THR 22 HG1 THR 22 8.907 -0.661 -3.992 117 HG21 THR 22 HG21 THR 22 10.577 -2.118 -5.562 118 HG22 THR 22 HG22 THR 22 12.057 -2.013 -4.610 119 HG23 THR 22 HG23 THR 22 11.054 -0.582 -4.838 120 H SER 23 H SER 23 11.248 -3.695 -0.899 121 HA SER 23 HA SER 23 13.880 -4.539 -1.862 122 HB2 SER 23 HB2 SER 23 13.715 -2.364 -0.602 123 HB3 SER 23 HB3 SER 23 13.109 -3.259 0.786 124 HG SER 23 HG SER 23 15.390 -4.401 -0.007 125 H ALA 24 H ALA 24 11.356 -6.091 -1.276 126 HA ALA 24 HA ALA 24 12.590 -8.139 0.372 127 HB1 ALA 24 HB1 ALA 24 11.088 -6.922 1.882 128 HB2 ALA 24 HB2 ALA 24 10.454 -8.533 1.539 129 HB3 ALA 24 HB3 ALA 24 9.763 -7.122 0.734 130 H ARG 25 H ARG 25 11.791 -10.230 -0.189 131 HA ARG 25 HA ARG 25 10.228 -10.251 -2.661 132 HB2 ARG 25 HB2 ARG 25 12.423 -12.189 -1.909 133 HB3 ARG 25 HB3 ARG 25 11.427 -12.285 -3.350 134 HG2 ARG 25 HG2 ARG 25 12.346 -10.098 -4.067 135 HG3 ARG 25 HG3 ARG 25 13.437 -10.147 -2.681 136 HD2 ARG 25 HD2 ARG 25 14.614 -10.947 -4.617 137 HD3 ARG 25 HD3 ARG 25 14.323 -12.303 -3.533 138 HE ARG 25 HE ARG 25 12.207 -12.178 -5.349 139 HH11 ARG 25 HH11 ARG 25 15.672 -12.983 -5.355 140 HH12 ARG 25 HH12 ARG 25 15.576 -13.958 -6.733 141 HH21 ARG 25 HH21 ARG 25 12.097 -13.525 -7.251 142 HH22 ARG 25 HH22 ARG 25 13.504 -14.274 -7.837 143 H SER 26 H SER 26 8.297 -10.634 -1.826 144 HA SER 26 HA SER 26 7.940 -12.639 0.211 145 HB2 SER 26 HB2 SER 26 5.940 -10.851 -1.182 146 HB3 SER 26 HB3 SER 26 5.661 -11.793 0.290 147 HG SER 26 HG SER 26 7.809 -10.466 0.773 148 H GLY 27 H GLY 27 8.238 -12.737 -3.061 149 HA2 GLY 27 HA2 GLY 27 8.146 -15.093 -3.859 150 HA3 GLY 27 HA3 GLY 27 6.505 -15.105 -3.224 151 H GLY 28 H GLY 28 6.391 -15.830 -5.604 152 HA2 GLY 28 HA2 GLY 28 6.483 -13.832 -7.618 153 HA3 GLY 28 HA3 GLY 28 5.696 -15.403 -7.746 154 H ALA 29 H ALA 29 4.005 -15.073 -5.487 155 HA ALA 29 HA ALA 29 2.016 -13.351 -6.681 156 HB1 ALA 29 HB1 ALA 29 1.332 -15.596 -5.941 157 HB2 ALA 29 HB2 ALA 29 0.460 -14.338 -5.063 158 HB3 ALA 29 HB3 ALA 29 1.796 -15.188 -4.288 159 H ALA 30 H ALA 30 3.019 -11.414 -6.302 160 HA ALA 30 HA ALA 30 2.239 -9.943 -4.062 161 HB1 ALA 30 HB1 ALA 30 5.206 -10.599 -4.239 162 HB2 ALA 30 HB2 ALA 30 4.131 -11.055 -2.919 163 HB3 ALA 30 HB3 ALA 30 4.505 -9.354 -3.205 164 H GLY 31 H GLY 31 3.341 -7.646 -4.363 165 HA2 GLY 31 HA2 GLY 31 4.862 -6.933 -6.474 166 HA3 GLY 31 HA3 GLY 31 3.271 -7.137 -7.182 Start of MODEL 7 1 HA ALA 1 HA ALA 1 2.145 -3.879 -6.145 2 HB1 ALA 1 HB1 ALA 1 1.226 -2.845 -8.117 3 HB2 ALA 1 HB2 ALA 1 1.432 -4.337 -9.025 4 HB3 ALA 1 HB3 ALA 1 2.851 -3.443 -8.476 5 H GLY 2 H GLY 2 1.068 -6.874 -6.379 6 HA2 GLY 2 HA2 GLY 2 -1.791 -6.334 -6.400 7 HA3 GLY 2 HA3 GLY 2 -1.018 -7.883 -6.024 8 H CYS 3 H CYS 3 -1.598 -4.650 -4.765 9 HA CYS 3 HA CYS 3 -1.064 -5.687 -2.078 10 HB2 CYS 3 HB2 CYS 3 -0.620 -2.898 -3.105 11 HB3 CYS 3 HB3 CYS 3 -0.143 -3.584 -1.554 12 H ASP 4 H ASP 4 -2.082 -4.328 -0.337 13 HA ASP 4 HA ASP 4 -4.328 -2.697 -0.699 14 HB2 ASP 4 HB2 ASP 4 -5.372 -4.982 -1.232 15 HB3 ASP 4 HB3 ASP 4 -4.761 -5.524 0.334 16 H ASP 5 H ASP 5 -5.346 -2.958 1.803 17 HA ASP 5 HA ASP 5 -3.178 -2.156 3.546 18 HB2 ASP 5 HB2 ASP 5 -5.407 -1.136 3.838 19 HB3 ASP 5 HB3 ASP 5 -6.097 -2.720 4.166 20 H LYS 6 H LYS 6 -5.034 -4.932 2.838 21 HA LYS 6 HA LYS 6 -4.250 -6.633 4.945 22 HB2 LYS 6 HB2 LYS 6 -5.069 -7.203 2.107 23 HB3 LYS 6 HB3 LYS 6 -4.826 -8.450 3.317 24 HG2 LYS 6 HG2 LYS 6 -6.795 -6.188 3.599 25 HG3 LYS 6 HG3 LYS 6 -7.216 -7.775 2.960 26 HD2 LYS 6 HD2 LYS 6 -6.047 -7.285 5.708 27 HD3 LYS 6 HD3 LYS 6 -7.761 -7.474 5.381 28 HE2 LYS 6 HE2 LYS 6 -5.625 -9.551 4.833 29 HE3 LYS 6 HE3 LYS 6 -6.751 -9.553 6.185 30 HZ1 LYS 6 HZ1 LYS 6 -8.587 -9.763 4.624 31 HZ2 LYS 6 HZ2 LYS 6 -7.496 -11.018 4.429 32 HZ3 LYS 6 HZ3 LYS 6 -7.522 -9.770 3.312 33 H CYS 7 H CYS 7 -2.466 -5.324 2.368 34 HA CYS 7 HA CYS 7 -0.515 -7.483 2.342 35 HB2 CYS 7 HB2 CYS 7 -1.166 -6.022 0.275 36 HB3 CYS 7 HB3 CYS 7 -0.107 -4.812 1.002 37 H GLY 8 H GLY 8 -1.046 -4.365 3.753 38 HA2 GLY 8 HA2 GLY 8 0.083 -3.575 5.654 39 HA3 GLY 8 HA3 GLY 8 1.429 -4.650 5.275 40 H CYS 9 H CYS 9 0.419 -3.287 2.534 41 HA CYS 9 HA CYS 9 2.663 -1.444 2.420 42 HB2 CYS 9 HB2 CYS 9 0.889 -2.761 0.450 43 HB3 CYS 9 HB3 CYS 9 1.545 -1.206 0.024 44 H ALA 10 H ALA 10 2.163 0.623 1.148 45 HA ALA 10 HA ALA 10 0.330 2.231 2.554 46 HB1 ALA 10 HB1 ALA 10 1.725 2.636 -0.078 47 HB2 ALA 10 HB2 ALA 10 2.332 3.125 1.504 48 HB3 ALA 10 HB3 ALA 10 0.905 3.915 0.817 49 H VAL 11 H VAL 11 -1.652 3.249 1.650 50 HA VAL 11 HA VAL 11 -2.807 1.745 -0.589 51 HB VAL 11 HB VAL 11 -4.383 2.371 1.925 52 HG11 VAL 11 HG11 VAL 11 -5.082 0.680 -0.468 53 HG12 VAL 11 HG12 VAL 11 -5.732 2.271 -0.086 54 HG13 VAL 11 HG13 VAL 11 -6.087 0.898 0.966 55 HG21 VAL 11 HG21 VAL 11 -2.741 0.655 2.459 56 HG22 VAL 11 HG22 VAL 11 -3.257 -0.294 1.065 57 HG23 VAL 11 HG23 VAL 11 -4.361 -0.036 2.415 58 HA PRO 12 HA PRO 12 -3.462 2.145 -2.460 59 HB2 PRO 12 HB2 PRO 12 -2.781 3.629 -4.619 60 HB3 PRO 12 HB3 PRO 12 -4.463 3.423 -4.122 61 HG2 PRO 12 HG2 PRO 12 -2.611 5.714 -3.617 62 HG3 PRO 12 HG3 PRO 12 -4.312 5.744 -4.111 63 HD2 PRO 12 HD2 PRO 12 -3.516 6.145 -1.546 64 HD3 PRO 12 HD3 PRO 12 -5.068 5.391 -1.961 65 H CYS 13 H CYS 13 -1.585 1.176 -3.220 66 HA CYS 13 HA CYS 13 0.789 2.238 -2.055 67 HB2 CYS 13 HB2 CYS 13 0.311 -0.125 -1.828 68 HB3 CYS 13 HB3 CYS 13 0.361 -0.353 -3.592 69 HA PRO 14 HA PRO 14 1.928 4.216 -5.863 70 HB2 PRO 14 HB2 PRO 14 4.073 5.513 -5.003 71 HB3 PRO 14 HB3 PRO 14 2.466 5.904 -4.390 72 HG2 PRO 14 HG2 PRO 14 4.639 4.310 -3.095 73 HG3 PRO 14 HG3 PRO 14 3.511 5.464 -2.369 74 HD2 PRO 14 HD2 PRO 14 3.250 2.679 -2.343 75 HD3 PRO 14 HD3 PRO 14 1.955 3.863 -2.026 76 H GLY 15 H GLY 15 3.628 1.629 -4.633 77 HA2 GLY 15 HA2 GLY 15 4.928 0.105 -5.843 78 HA3 GLY 15 HA3 GLY 15 5.044 1.281 -7.135 79 H GLY 16 H GLY 16 6.136 3.333 -5.170 80 HA2 GLY 16 HA2 GLY 16 8.882 2.373 -5.358 81 HA3 GLY 16 HA3 GLY 16 8.380 4.033 -5.078 82 H THR 17 H THR 17 8.611 4.794 -3.099 83 HA THR 17 HA THR 17 9.806 3.402 -1.037 84 HB THR 17 HB THR 17 8.087 5.878 -0.789 85 HG1 THR 17 HG1 THR 17 9.869 6.992 -1.405 86 HG21 THR 17 HG21 THR 17 10.513 4.950 0.773 87 HG22 THR 17 HG22 THR 17 8.851 4.914 1.356 88 HG23 THR 17 HG23 THR 17 9.638 6.458 1.029 89 H GLY 18 H GLY 18 6.412 4.061 -1.675 90 HA2 GLY 18 HA2 GLY 18 5.482 3.053 0.843 91 HA3 GLY 18 HA3 GLY 18 4.479 3.459 -0.539 92 H CYS 19 H CYS 19 6.769 1.388 -1.740 93 HA CYS 19 HA CYS 19 4.841 -0.694 -1.389 94 HB2 CYS 19 HB2 CYS 19 5.557 -0.207 -3.728 95 HB3 CYS 19 HB3 CYS 19 7.163 -0.821 -3.307 96 H ARG 20 H ARG 20 5.297 -1.494 0.547 97 HA ARG 20 HA ARG 20 7.890 -2.400 1.290 98 HB2 ARG 20 HB2 ARG 20 5.145 -2.959 2.434 99 HB3 ARG 20 HB3 ARG 20 6.666 -3.354 3.229 100 HG2 ARG 20 HG2 ARG 20 7.212 -1.042 3.496 101 HG3 ARG 20 HG3 ARG 20 5.868 -0.551 2.464 102 HD2 ARG 20 HD2 ARG 20 4.292 -1.399 4.070 103 HD3 ARG 20 HD3 ARG 20 5.608 -1.960 5.118 104 HE ARG 20 HE ARG 20 5.985 0.736 4.694 105 HH11 ARG 20 HH11 ARG 20 3.325 -1.205 5.977 106 HH12 ARG 20 HH12 ARG 20 2.949 -0.136 7.241 107 HH21 ARG 20 HH21 ARG 20 5.405 2.276 6.404 108 HH22 ARG 20 HH22 ARG 20 4.142 1.891 7.466 109 H CYS 21 H CYS 21 7.714 -3.340 -0.952 110 HA CYS 21 HA CYS 21 7.612 -6.236 -0.770 111 HB2 CYS 21 HB2 CYS 21 6.053 -4.638 -2.753 112 HB3 CYS 21 HB3 CYS 21 6.797 -6.120 -3.299 113 H THR 22 H THR 22 8.503 -3.249 -2.474 114 HA THR 22 HA THR 22 10.387 -4.266 -4.165 115 HB THR 22 HB THR 22 10.378 -1.599 -2.731 116 HG1 THR 22 HG1 THR 22 8.969 -0.963 -4.478 117 HG21 THR 22 HG21 THR 22 11.275 -2.418 -5.509 118 HG22 THR 22 HG22 THR 22 12.346 -2.059 -4.152 119 HG23 THR 22 HG23 THR 22 11.345 -0.785 -4.846 120 H SER 23 H SER 23 12.005 -5.532 -3.442 121 HA SER 23 HA SER 23 13.889 -6.227 -2.476 122 HB2 SER 23 HB2 SER 23 13.928 -3.570 -1.004 123 HB3 SER 23 HB3 SER 23 15.278 -4.703 -1.128 124 HG SER 23 HG SER 23 14.381 -4.257 -3.563 125 H ALA 24 H ALA 24 11.090 -6.404 -1.262 126 HA ALA 24 HA ALA 24 11.620 -6.704 1.525 127 HB1 ALA 24 HB1 ALA 24 9.327 -7.583 1.694 128 HB2 ALA 24 HB2 ALA 24 9.209 -7.590 -0.067 129 HB3 ALA 24 HB3 ALA 24 9.368 -6.062 0.803 130 H ARG 25 H ARG 25 12.055 -8.525 2.581 131 HA ARG 25 HA ARG 25 13.258 -10.595 1.025 132 HB2 ARG 25 HB2 ARG 25 12.940 -10.397 4.025 133 HB3 ARG 25 HB3 ARG 25 14.010 -11.489 3.164 134 HG2 ARG 25 HG2 ARG 25 15.275 -9.621 2.276 135 HG3 ARG 25 HG3 ARG 25 14.174 -8.489 3.052 136 HD2 ARG 25 HD2 ARG 25 14.849 -9.423 5.247 137 HD3 ARG 25 HD3 ARG 25 16.035 -10.431 4.411 138 HE ARG 25 HE ARG 25 16.175 -7.592 3.895 139 HH11 ARG 25 HH11 ARG 25 17.478 -10.309 5.769 140 HH12 ARG 25 HH12 ARG 25 18.901 -9.511 6.220 141 HH21 ARG 25 HH21 ARG 25 18.157 -6.477 4.548 142 HH22 ARG 25 HH22 ARG 25 19.302 -7.271 5.500 143 H SER 26 H SER 26 10.790 -10.786 3.605 144 HA SER 26 HA SER 26 9.810 -13.200 2.272 145 HB2 SER 26 HB2 SER 26 9.501 -12.392 5.167 146 HB3 SER 26 HB3 SER 26 8.961 -13.908 4.444 147 HG SER 26 HG SER 26 11.336 -13.985 3.775 148 H GLY 27 H GLY 27 8.303 -12.375 0.907 149 HA2 GLY 27 HA2 GLY 27 5.928 -11.271 2.215 150 HA3 GLY 27 HA3 GLY 27 6.641 -10.359 0.895 151 H GLY 28 H GLY 28 7.036 -13.679 0.442 152 HA2 GLY 28 HA2 GLY 28 6.045 -15.189 -0.978 153 HA3 GLY 28 HA3 GLY 28 4.521 -14.357 -0.685 154 H ALA 29 H ALA 29 3.647 -13.424 -2.382 155 HA ALA 29 HA ALA 29 5.185 -12.964 -4.773 156 HB1 ALA 29 HB1 ALA 29 2.894 -13.852 -4.937 157 HB2 ALA 29 HB2 ALA 29 3.035 -12.298 -5.754 158 HB3 ALA 29 HB3 ALA 29 2.275 -12.390 -4.164 159 H ALA 30 H ALA 30 6.531 -11.301 -4.480 160 HA ALA 30 HA ALA 30 5.580 -8.922 -3.111 161 HB1 ALA 30 HB1 ALA 30 8.357 -9.574 -4.101 162 HB2 ALA 30 HB2 ALA 30 7.763 -9.848 -2.466 163 HB3 ALA 30 HB3 ALA 30 7.909 -8.203 -3.086 164 H GLY 31 H GLY 31 4.270 -7.889 -4.514 165 HA2 GLY 31 HA2 GLY 31 5.600 -6.500 -6.671 166 HA3 GLY 31 HA3 GLY 31 4.295 -7.573 -7.155 Start of MODEL 8 1 HA ALA 1 HA ALA 1 2.207 -5.729 -9.037 2 HB1 ALA 1 HB1 ALA 1 3.063 -7.133 -6.505 3 HB2 ALA 1 HB2 ALA 1 3.524 -7.608 -8.140 4 HB3 ALA 1 HB3 ALA 1 1.837 -7.701 -7.638 5 H GLY 2 H GLY 2 0.108 -5.901 -8.234 6 HA2 GLY 2 HA2 GLY 2 -0.844 -3.663 -6.865 7 HA3 GLY 2 HA3 GLY 2 -1.769 -5.119 -7.182 8 H CYS 3 H CYS 3 -1.745 -3.380 -4.826 9 HA CYS 3 HA CYS 3 -1.072 -5.370 -2.838 10 HB2 CYS 3 HB2 CYS 3 -0.344 -2.452 -2.817 11 HB3 CYS 3 HB3 CYS 3 -0.126 -3.557 -1.460 12 H ASP 4 H ASP 4 -2.151 -4.742 -0.714 13 HA ASP 4 HA ASP 4 -4.501 -3.073 -0.957 14 HB2 ASP 4 HB2 ASP 4 -5.998 -4.831 -0.181 15 HB3 ASP 4 HB3 ASP 4 -5.193 -5.395 -1.640 16 H ASP 5 H ASP 5 -5.628 -3.851 1.471 17 HA ASP 5 HA ASP 5 -3.921 -2.365 3.228 18 HB2 ASP 5 HB2 ASP 5 -5.750 -2.323 4.751 19 HB3 ASP 5 HB3 ASP 5 -6.427 -2.123 3.142 20 H LYS 6 H LYS 6 -4.696 -5.734 2.781 21 HA LYS 6 HA LYS 6 -3.668 -6.420 5.404 22 HB2 LYS 6 HB2 LYS 6 -4.621 -8.194 3.189 23 HB3 LYS 6 HB3 LYS 6 -4.367 -8.643 4.873 24 HG2 LYS 6 HG2 LYS 6 -6.139 -7.205 5.580 25 HG3 LYS 6 HG3 LYS 6 -6.340 -6.595 3.937 26 HD2 LYS 6 HD2 LYS 6 -6.688 -8.976 3.296 27 HD3 LYS 6 HD3 LYS 6 -6.933 -9.314 5.011 28 HE2 LYS 6 HE2 LYS 6 -9.088 -8.881 3.985 29 HE3 LYS 6 HE3 LYS 6 -8.679 -7.572 5.091 30 HZ1 LYS 6 HZ1 LYS 6 -9.574 -6.763 2.980 31 HZ2 LYS 6 HZ2 LYS 6 -8.307 -7.480 2.140 32 HZ3 LYS 6 HZ3 LYS 6 -7.998 -6.205 3.200 33 H CYS 7 H CYS 7 -2.519 -5.770 2.400 34 HA CYS 7 HA CYS 7 -0.530 -7.760 2.061 35 HB2 CYS 7 HB2 CYS 7 -1.309 -5.980 0.318 36 HB3 CYS 7 HB3 CYS 7 -0.129 -4.922 1.096 37 H GLY 8 H GLY 8 -0.791 -4.842 3.902 38 HA2 GLY 8 HA2 GLY 8 0.556 -4.404 5.799 39 HA3 GLY 8 HA3 GLY 8 1.841 -5.377 5.073 40 H CYS 9 H CYS 9 0.526 -3.673 2.689 41 HA CYS 9 HA CYS 9 2.637 -1.679 2.730 42 HB2 CYS 9 HB2 CYS 9 0.907 -2.907 0.664 43 HB3 CYS 9 HB3 CYS 9 1.559 -1.320 0.368 44 H ALA 10 H ALA 10 1.950 0.455 1.697 45 HA ALA 10 HA ALA 10 -0.088 1.685 3.180 46 HB1 ALA 10 HB1 ALA 10 0.437 3.611 1.718 47 HB2 ALA 10 HB2 ALA 10 1.450 2.546 0.739 48 HB3 ALA 10 HB3 ALA 10 1.885 2.877 2.413 49 H VAL 11 H VAL 11 -1.991 2.720 2.207 50 HA VAL 11 HA VAL 11 -2.938 1.441 -0.234 51 HB VAL 11 HB VAL 11 -4.674 1.814 2.227 52 HG11 VAL 11 HG11 VAL 11 -6.316 0.451 1.014 53 HG12 VAL 11 HG12 VAL 11 -5.230 0.398 -0.374 54 HG13 VAL 11 HG13 VAL 11 -5.916 1.934 0.146 55 HG21 VAL 11 HG21 VAL 11 -3.049 0.032 2.660 56 HG22 VAL 11 HG22 VAL 11 -3.498 -0.761 1.158 57 HG23 VAL 11 HG23 VAL 11 -4.670 -0.623 2.466 58 HA PRO 12 HA PRO 12 -3.442 2.001 -2.010 59 HB2 PRO 12 HB2 PRO 12 -2.835 3.619 -4.063 60 HB3 PRO 12 HB3 PRO 12 -4.510 3.336 -3.578 61 HG2 PRO 12 HG2 PRO 12 -2.735 5.661 -2.997 62 HG3 PRO 12 HG3 PRO 12 -4.449 5.659 -3.437 63 HD2 PRO 12 HD2 PRO 12 -3.532 5.935 -0.870 64 HD3 PRO 12 HD3 PRO 12 -5.121 5.270 -1.280 65 H CYS 13 H CYS 13 -1.505 1.142 -2.580 66 HA CYS 13 HA CYS 13 0.800 2.301 -1.431 67 HB2 CYS 13 HB2 CYS 13 0.378 -0.133 -1.441 68 HB3 CYS 13 HB3 CYS 13 0.581 -0.168 -3.197 69 HA PRO 14 HA PRO 14 1.829 4.830 -4.944 70 HB2 PRO 14 HB2 PRO 14 4.622 4.606 -3.980 71 HB3 PRO 14 HB3 PRO 14 3.636 6.051 -4.230 72 HG2 PRO 14 HG2 PRO 14 4.185 5.172 -1.778 73 HG3 PRO 14 HG3 PRO 14 2.590 5.849 -2.166 74 HD2 PRO 14 HD2 PRO 14 3.418 2.981 -1.855 75 HD3 PRO 14 HD3 PRO 14 1.946 3.826 -1.312 76 H GLY 15 H GLY 15 3.952 2.132 -4.179 77 HA2 GLY 15 HA2 GLY 15 3.961 0.384 -5.974 78 HA3 GLY 15 HA3 GLY 15 4.247 1.699 -7.092 79 H GLY 16 H GLY 16 6.200 3.128 -5.829 80 HA2 GLY 16 HA2 GLY 16 8.403 1.177 -5.784 81 HA3 GLY 16 HA3 GLY 16 8.563 2.870 -6.260 82 H THR 17 H THR 17 8.447 4.475 -4.668 83 HA THR 17 HA THR 17 9.561 3.814 -2.155 84 HB THR 17 HB THR 17 8.047 6.324 -2.903 85 HG1 THR 17 HG1 THR 17 10.279 5.323 -4.025 86 HG21 THR 17 HG21 THR 17 10.327 5.844 -0.965 87 HG22 THR 17 HG22 THR 17 8.642 6.121 -0.526 88 HG23 THR 17 HG23 THR 17 9.578 7.406 -1.290 89 H GLY 18 H GLY 18 8.465 3.281 -0.315 90 HA2 GLY 18 HA2 GLY 18 6.639 3.206 1.152 91 HA3 GLY 18 HA3 GLY 18 5.605 3.795 -0.147 92 H CYS 19 H CYS 19 7.223 1.545 -1.747 93 HA CYS 19 HA CYS 19 5.173 -0.362 -1.147 94 HB2 CYS 19 HB2 CYS 19 5.725 -0.026 -3.546 95 HB3 CYS 19 HB3 CYS 19 7.337 -0.667 -3.226 96 H ARG 20 H ARG 20 5.697 -0.974 0.825 97 HA ARG 20 HA ARG 20 8.093 -2.370 1.213 98 HB2 ARG 20 HB2 ARG 20 6.962 -3.103 3.411 99 HB3 ARG 20 HB3 ARG 20 7.430 -1.427 3.190 100 HG2 ARG 20 HG2 ARG 20 5.029 -1.013 2.495 101 HG3 ARG 20 HG3 ARG 20 4.693 -2.636 3.111 102 HD2 ARG 20 HD2 ARG 20 4.250 -0.952 4.809 103 HD3 ARG 20 HD3 ARG 20 5.600 -2.015 5.256 104 HE ARG 20 HE ARG 20 7.090 -0.203 4.511 105 HH11 ARG 20 HH11 ARG 20 3.794 0.692 5.602 106 HH12 ARG 20 HH12 ARG 20 4.266 2.263 6.052 107 HH21 ARG 20 HH21 ARG 20 7.665 1.965 5.180 108 HH22 ARG 20 HH22 ARG 20 6.459 2.994 5.821 109 H CYS 21 H CYS 21 7.801 -3.340 -0.565 110 HA CYS 21 HA CYS 21 7.323 -6.214 -0.184 111 HB2 CYS 21 HB2 CYS 21 6.175 -4.564 -2.382 112 HB3 CYS 21 HB3 CYS 21 6.983 -6.025 -2.882 113 H THR 22 H THR 22 8.519 -3.651 -2.370 114 HA THR 22 HA THR 22 10.582 -4.882 -3.589 115 HB THR 22 HB THR 22 10.417 -2.018 -2.696 116 HG1 THR 22 HG1 THR 22 9.151 -2.265 -4.967 117 HG21 THR 22 HG21 THR 22 12.381 -2.703 -4.046 118 HG22 THR 22 HG22 THR 22 11.334 -1.581 -4.909 119 HG23 THR 22 HG23 THR 22 11.292 -3.301 -5.302 120 H SER 23 H SER 23 11.916 -6.052 -2.198 121 HA SER 23 HA SER 23 13.744 -6.448 -0.972 122 HB2 SER 23 HB2 SER 23 14.021 -3.448 -0.724 123 HB3 SER 23 HB3 SER 23 15.291 -4.647 -0.460 124 HG SER 23 HG SER 23 14.234 -5.092 -2.816 125 H ALA 24 H ALA 24 10.997 -5.953 0.175 126 HA ALA 24 HA ALA 24 11.349 -4.843 2.752 127 HB1 ALA 24 HB1 ALA 24 9.173 -5.867 3.319 128 HB2 ALA 24 HB2 ALA 24 9.235 -6.813 1.835 129 HB3 ALA 24 HB3 ALA 24 9.109 -5.056 1.755 130 H ARG 25 H ARG 25 11.376 -8.052 1.463 131 HA ARG 25 HA ARG 25 13.222 -8.884 3.542 132 HB2 ARG 25 HB2 ARG 25 10.967 -9.715 4.240 133 HB3 ARG 25 HB3 ARG 25 10.845 -10.571 2.710 134 HG2 ARG 25 HG2 ARG 25 12.773 -11.933 3.291 135 HG3 ARG 25 HG3 ARG 25 12.938 -11.067 4.817 136 HD2 ARG 25 HD2 ARG 25 11.820 -13.174 5.175 137 HD3 ARG 25 HD3 ARG 25 10.707 -11.846 5.478 138 HE ARG 25 HE ARG 25 10.660 -13.037 2.827 139 HH11 ARG 25 HH11 ARG 25 9.114 -12.788 5.995 140 HH12 ARG 25 HH12 ARG 25 7.676 -13.554 5.497 141 HH21 ARG 25 HH21 ARG 25 8.718 -14.065 2.160 142 HH22 ARG 25 HH22 ARG 25 7.442 -14.317 3.257 143 H SER 26 H SER 26 11.591 -9.513 0.498 144 HA SER 26 HA SER 26 14.110 -10.353 -0.643 145 HB2 SER 26 HB2 SER 26 12.667 -12.359 -0.052 146 HB3 SER 26 HB3 SER 26 11.435 -11.717 -1.130 147 HG SER 26 HG SER 26 13.555 -13.198 -1.698 148 H GLY 27 H GLY 27 13.257 -10.540 -3.237 149 HA2 GLY 27 HA2 GLY 27 12.044 -7.892 -3.683 150 HA3 GLY 27 HA3 GLY 27 13.208 -8.645 -4.770 151 H GLY 28 H GLY 28 12.573 -10.358 -6.039 152 HA2 GLY 28 HA2 GLY 28 11.148 -11.705 -7.217 153 HA3 GLY 28 HA3 GLY 28 9.940 -11.412 -5.979 154 H ALA 29 H ALA 29 8.207 -10.457 -6.656 155 HA ALA 29 HA ALA 29 7.910 -9.488 -9.287 156 HB1 ALA 29 HB1 ALA 29 6.055 -9.216 -6.931 157 HB2 ALA 29 HB2 ALA 29 6.100 -10.568 -8.063 158 HB3 ALA 29 HB3 ALA 29 5.628 -8.961 -8.620 159 H ALA 30 H ALA 30 7.917 -7.851 -6.153 160 HA ALA 30 HA ALA 30 8.296 -5.774 -5.454 161 HB1 ALA 30 HB1 ALA 30 9.525 -5.242 -8.171 162 HB2 ALA 30 HB2 ALA 30 10.385 -5.874 -6.765 163 HB3 ALA 30 HB3 ALA 30 9.717 -4.241 -6.731 164 H GLY 31 H GLY 31 7.434 -5.236 -8.853 165 HA2 GLY 31 HA2 GLY 31 5.485 -3.234 -7.991 166 HA3 GLY 31 HA3 GLY 31 6.019 -3.514 -9.646 Start of MODEL 9 1 HA ALA 1 HA ALA 1 -6.923 -5.125 -7.828 2 HB1 ALA 1 HB1 ALA 1 -8.228 -3.556 -6.423 3 HB2 ALA 1 HB2 ALA 1 -7.480 -2.720 -7.778 4 HB3 ALA 1 HB3 ALA 1 -6.781 -2.577 -6.167 5 H GLY 2 H GLY 2 -4.526 -3.761 -5.836 6 HA2 GLY 2 HA2 GLY 2 -2.477 -4.129 -7.864 7 HA3 GLY 2 HA3 GLY 2 -2.564 -2.565 -7.025 8 H CYS 3 H CYS 3 -2.171 -2.431 -4.867 9 HA CYS 3 HA CYS 3 -1.548 -4.892 -3.406 10 HB2 CYS 3 HB2 CYS 3 -0.230 -2.201 -3.263 11 HB3 CYS 3 HB3 CYS 3 -0.047 -3.414 -2.014 12 H ASP 4 H ASP 4 -2.445 -4.857 -1.289 13 HA ASP 4 HA ASP 4 -4.186 -2.558 -0.775 14 HB2 ASP 4 HB2 ASP 4 -5.903 -4.032 -0.045 15 HB3 ASP 4 HB3 ASP 4 -5.344 -4.677 -1.584 16 H ASP 5 H ASP 5 -5.083 -3.212 1.632 17 HA ASP 5 HA ASP 5 -3.090 -2.460 3.438 18 HB2 ASP 5 HB2 ASP 5 -5.413 -2.025 3.875 19 HB3 ASP 5 HB3 ASP 5 -5.775 -3.743 3.896 20 H LYS 6 H LYS 6 -4.417 -5.628 2.618 21 HA LYS 6 HA LYS 6 -2.947 -6.873 4.747 22 HB2 LYS 6 HB2 LYS 6 -4.639 -8.076 2.559 23 HB3 LYS 6 HB3 LYS 6 -3.956 -8.966 3.915 24 HG2 LYS 6 HG2 LYS 6 -5.997 -6.741 4.103 25 HG3 LYS 6 HG3 LYS 6 -6.312 -8.464 4.314 26 HD2 LYS 6 HD2 LYS 6 -4.848 -8.502 6.275 27 HD3 LYS 6 HD3 LYS 6 -4.478 -6.797 6.036 28 HE2 LYS 6 HE2 LYS 6 -7.206 -7.925 6.640 29 HE3 LYS 6 HE3 LYS 6 -6.137 -7.163 7.811 30 HZ1 LYS 6 HZ1 LYS 6 -6.264 -5.108 6.413 31 HZ2 LYS 6 HZ2 LYS 6 -7.716 -5.559 7.124 32 HZ3 LYS 6 HZ3 LYS 6 -7.478 -5.855 5.492 33 H CYS 7 H CYS 7 -2.074 -5.708 1.863 34 HA CYS 7 HA CYS 7 -0.136 -7.795 1.332 35 HB2 CYS 7 HB2 CYS 7 -1.156 -6.365 -0.544 36 HB3 CYS 7 HB3 CYS 7 -0.107 -5.064 0.037 37 H GLY 8 H GLY 8 -0.486 -5.047 3.286 38 HA2 GLY 8 HA2 GLY 8 0.986 -4.258 4.856 39 HA3 GLY 8 HA3 GLY 8 2.194 -5.397 4.258 40 H CYS 9 H CYS 9 0.442 -3.286 2.197 41 HA CYS 9 HA CYS 9 2.806 -1.625 1.792 42 HB2 CYS 9 HB2 CYS 9 1.000 -3.074 0.006 43 HB3 CYS 9 HB3 CYS 9 1.440 -1.496 -0.527 44 H ALA 10 H ALA 10 2.006 0.429 0.620 45 HA ALA 10 HA ALA 10 0.057 1.779 2.149 46 HB1 ALA 10 HB1 ALA 10 1.888 2.942 1.071 47 HB2 ALA 10 HB2 ALA 10 0.357 3.546 0.405 48 HB3 ALA 10 HB3 ALA 10 1.333 2.383 -0.500 49 H VAL 11 H VAL 11 -1.981 2.696 1.246 50 HA VAL 11 HA VAL 11 -3.205 0.986 -0.801 51 HB VAL 11 HB VAL 11 -4.651 1.724 1.744 52 HG11 VAL 11 HG11 VAL 11 -5.260 -0.314 -0.372 53 HG12 VAL 11 HG12 VAL 11 -6.088 1.219 -0.109 54 HG13 VAL 11 HG13 VAL 11 -6.197 -0.065 1.100 55 HG21 VAL 11 HG21 VAL 11 -2.790 0.297 2.413 56 HG22 VAL 11 HG22 VAL 11 -3.236 -0.895 1.202 57 HG23 VAL 11 HG23 VAL 11 -4.309 -0.578 2.558 58 HA PRO 12 HA PRO 12 -3.687 1.415 -2.691 59 HB2 PRO 12 HB2 PRO 12 -3.212 2.917 -4.859 60 HB3 PRO 12 HB3 PRO 12 -4.864 2.577 -4.327 61 HG2 PRO 12 HG2 PRO 12 -3.199 5.021 -3.858 62 HG3 PRO 12 HG3 PRO 12 -4.890 4.907 -4.382 63 HD2 PRO 12 HD2 PRO 12 -4.187 5.394 -1.804 64 HD3 PRO 12 HD3 PRO 12 -5.657 4.504 -2.243 65 H CYS 13 H CYS 13 -1.704 0.973 -3.868 66 HA CYS 13 HA CYS 13 0.464 2.167 -2.399 67 HB2 CYS 13 HB2 CYS 13 0.159 -0.248 -2.387 68 HB3 CYS 13 HB3 CYS 13 0.475 -0.304 -4.139 69 HA PRO 14 HA PRO 14 1.448 4.677 -5.880 70 HB2 PRO 14 HB2 PRO 14 3.707 5.801 -4.962 71 HB3 PRO 14 HB3 PRO 14 2.126 6.167 -4.267 72 HG2 PRO 14 HG2 PRO 14 4.262 4.343 -3.249 73 HG3 PRO 14 HG3 PRO 14 3.221 5.464 -2.355 74 HD2 PRO 14 HD2 PRO 14 2.802 2.747 -2.542 75 HD3 PRO 14 HD3 PRO 14 1.528 3.950 -2.203 76 H GLY 15 H GLY 15 3.752 2.327 -4.746 77 HA2 GLY 15 HA2 GLY 15 4.732 0.868 -6.438 78 HA3 GLY 15 HA3 GLY 15 4.895 2.278 -7.468 79 H GLY 16 H GLY 16 6.002 3.989 -5.343 80 HA2 GLY 16 HA2 GLY 16 8.721 3.035 -5.581 81 HA3 GLY 16 HA3 GLY 16 8.222 4.609 -4.999 82 H THR 17 H THR 17 8.624 4.967 -2.899 83 HA THR 17 HA THR 17 9.742 3.014 -1.227 84 HB THR 17 HB THR 17 8.479 5.628 -0.377 85 HG1 THR 17 HG1 THR 17 11.145 5.151 -1.257 86 HG21 THR 17 HG21 THR 17 9.216 4.160 1.472 87 HG22 THR 17 HG22 THR 17 10.232 5.596 1.354 88 HG23 THR 17 HG23 THR 17 10.817 4.050 0.740 89 H GLY 18 H GLY 18 6.478 4.199 -1.608 90 HA2 GLY 18 HA2 GLY 18 5.342 2.942 0.662 91 HA3 GLY 18 HA3 GLY 18 4.464 3.485 -0.765 92 H CYS 19 H CYS 19 6.600 1.596 -2.240 93 HA CYS 19 HA CYS 19 4.760 -0.551 -2.020 94 HB2 CYS 19 HB2 CYS 19 5.495 0.137 -4.313 95 HB3 CYS 19 HB3 CYS 19 7.098 -0.509 -3.925 96 H ARG 20 H ARG 20 5.525 -0.932 0.102 97 HA ARG 20 HA ARG 20 8.042 -2.165 0.348 98 HB2 ARG 20 HB2 ARG 20 7.132 -2.747 2.725 99 HB3 ARG 20 HB3 ARG 20 7.498 -1.077 2.313 100 HG2 ARG 20 HG2 ARG 20 5.074 -0.769 1.788 101 HG3 ARG 20 HG3 ARG 20 4.801 -2.379 2.450 102 HD2 ARG 20 HD2 ARG 20 5.973 -0.021 3.924 103 HD3 ARG 20 HD3 ARG 20 4.322 -0.624 4.042 104 HE ARG 20 HE ARG 20 5.766 -2.783 4.667 105 HH11 ARG 20 HH11 ARG 20 5.818 0.527 5.948 106 HH12 ARG 20 HH12 ARG 20 6.336 0.057 7.504 107 HH21 ARG 20 HH21 ARG 20 6.518 -3.385 6.848 108 HH22 ARG 20 HH22 ARG 20 6.732 -2.158 8.005 109 H CYS 21 H CYS 21 7.542 -3.287 -1.387 110 HA CYS 21 HA CYS 21 6.750 -6.094 -0.810 111 HB2 CYS 21 HB2 CYS 21 6.229 -4.369 -3.096 112 HB3 CYS 21 HB3 CYS 21 7.174 -5.757 -3.579 113 H THR 22 H THR 22 9.123 -3.782 -1.974 114 HA THR 22 HA THR 22 11.050 -5.847 -2.572 115 HB THR 22 HB THR 22 10.884 -4.084 -4.203 116 HG1 THR 22 HG1 THR 22 13.176 -4.355 -2.705 117 HG21 THR 22 HG21 THR 22 9.904 -2.314 -2.840 118 HG22 THR 22 HG22 THR 22 11.355 -1.715 -3.646 119 HG23 THR 22 HG23 THR 22 11.411 -2.156 -1.940 120 H SER 23 H SER 23 10.060 -4.083 0.057 121 HA SER 23 HA SER 23 12.682 -4.331 1.339 122 HB2 SER 23 HB2 SER 23 10.586 -2.199 1.839 123 HB3 SER 23 HB3 SER 23 12.186 -2.289 2.580 124 HG SER 23 HG SER 23 13.123 -1.874 0.650 125 H ALA 24 H ALA 24 10.172 -6.005 1.078 126 HA ALA 24 HA ALA 24 9.912 -6.797 3.794 127 HB1 ALA 24 HB1 ALA 24 7.500 -5.671 2.345 128 HB2 ALA 24 HB2 ALA 24 8.274 -4.962 3.761 129 HB3 ALA 24 HB3 ALA 24 7.461 -6.521 3.891 130 H ARG 25 H ARG 25 8.863 -8.843 3.881 131 HA ARG 25 HA ARG 25 8.436 -10.069 1.244 132 HB2 ARG 25 HB2 ARG 25 9.259 -12.220 2.214 133 HB3 ARG 25 HB3 ARG 25 10.492 -10.976 2.133 134 HG2 ARG 25 HG2 ARG 25 10.338 -10.588 4.489 135 HG3 ARG 25 HG3 ARG 25 8.936 -11.652 4.625 136 HD2 ARG 25 HD2 ARG 25 11.704 -12.515 3.766 137 HD3 ARG 25 HD3 ARG 25 11.044 -12.715 5.388 138 HE ARG 25 HE ARG 25 9.337 -13.854 3.438 139 HH11 ARG 25 HH11 ARG 25 12.355 -14.538 5.195 140 HH12 ARG 25 HH12 ARG 25 12.199 -16.221 5.053 141 HH21 ARG 25 HH21 ARG 25 9.158 -16.174 3.262 142 HH22 ARG 25 HH22 ARG 25 10.360 -17.162 3.951 143 H SER 26 H SER 26 6.747 -8.895 3.558 144 HA SER 26 HA SER 26 4.990 -11.196 3.991 145 HB2 SER 26 HB2 SER 26 4.968 -8.505 5.355 146 HB3 SER 26 HB3 SER 26 4.126 -9.970 5.858 147 HG SER 26 HG SER 26 6.382 -10.884 5.887 148 H GLY 27 H GLY 27 2.715 -10.910 3.565 149 HA2 GLY 27 HA2 GLY 27 1.039 -9.103 3.030 150 HA3 GLY 27 HA3 GLY 27 2.154 -8.684 1.737 151 H GLY 28 H GLY 28 -0.674 -9.704 1.815 152 HA2 GLY 28 HA2 GLY 28 -0.603 -12.349 0.708 153 HA3 GLY 28 HA3 GLY 28 -2.002 -11.301 0.833 154 H ALA 29 H ALA 29 1.064 -10.953 -0.854 155 HA ALA 29 HA ALA 29 1.685 -10.617 -2.955 156 HB1 ALA 29 HB1 ALA 29 0.642 -11.844 -4.729 157 HB2 ALA 29 HB2 ALA 29 -0.814 -12.086 -3.762 158 HB3 ALA 29 HB3 ALA 29 0.703 -12.849 -3.279 159 H ALA 30 H ALA 30 -1.779 -10.324 -3.679 160 HA ALA 30 HA ALA 30 -1.362 -7.530 -4.324 161 HB1 ALA 30 HB1 ALA 30 -0.547 -8.699 -6.315 162 HB2 ALA 30 HB2 ALA 30 -2.017 -7.786 -6.655 163 HB3 ALA 30 HB3 ALA 30 -2.093 -9.536 -6.456 164 H GLY 31 H GLY 31 -3.345 -6.580 -5.162 165 HA2 GLY 31 HA2 GLY 31 -5.823 -7.999 -4.469 166 HA3 GLY 31 HA3 GLY 31 -5.535 -6.368 -3.839 Start of MODEL 10 1 HA ALA 1 HA ALA 1 1.859 -3.772 -9.190 2 HB1 ALA 1 HB1 ALA 1 -0.473 -5.419 -10.191 3 HB2 ALA 1 HB2 ALA 1 1.013 -5.098 -11.086 4 HB3 ALA 1 HB3 ALA 1 -0.081 -3.774 -10.688 5 H GLY 2 H GLY 2 -0.967 -5.626 -8.076 6 HA2 GLY 2 HA2 GLY 2 -1.962 -3.234 -6.758 7 HA3 GLY 2 HA3 GLY 2 -2.849 -4.730 -7.012 8 H CYS 3 H CYS 3 -2.254 -3.032 -4.627 9 HA CYS 3 HA CYS 3 -1.487 -5.194 -2.822 10 HB2 CYS 3 HB2 CYS 3 -0.519 -2.353 -2.866 11 HB3 CYS 3 HB3 CYS 3 -0.270 -3.431 -1.505 12 H ASP 4 H ASP 4 -2.255 -4.621 -0.556 13 HA ASP 4 HA ASP 4 -4.230 -2.504 -0.382 14 HB2 ASP 4 HB2 ASP 4 -4.786 -5.403 0.389 15 HB3 ASP 4 HB3 ASP 4 -5.778 -4.052 0.874 16 H ASP 5 H ASP 5 -5.081 -3.145 2.177 17 HA ASP 5 HA ASP 5 -2.869 -2.248 3.744 18 HB2 ASP 5 HB2 ASP 5 -4.473 -2.094 5.540 19 HB3 ASP 5 HB3 ASP 5 -5.252 -1.532 4.072 20 H LYS 6 H LYS 6 -4.174 -5.224 2.854 21 HA LYS 6 HA LYS 6 -3.545 -6.843 5.081 22 HB2 LYS 6 HB2 LYS 6 -3.712 -7.611 2.155 23 HB3 LYS 6 HB3 LYS 6 -3.718 -8.734 3.493 24 HG2 LYS 6 HG2 LYS 6 -5.815 -6.649 2.961 25 HG3 LYS 6 HG3 LYS 6 -5.936 -8.348 2.532 26 HD2 LYS 6 HD2 LYS 6 -5.574 -7.382 5.377 27 HD3 LYS 6 HD3 LYS 6 -7.149 -7.615 4.640 28 HE2 LYS 6 HE2 LYS 6 -6.699 -9.570 5.922 29 HE3 LYS 6 HE3 LYS 6 -6.493 -10.023 4.237 30 HZ1 LYS 6 HZ1 LYS 6 -4.829 -10.944 5.693 31 HZ2 LYS 6 HZ2 LYS 6 -4.302 -9.436 6.167 32 HZ3 LYS 6 HZ3 LYS 6 -4.068 -9.959 4.572 33 H CYS 7 H CYS 7 -1.685 -5.547 2.510 34 HA CYS 7 HA CYS 7 0.697 -7.049 2.771 35 HB2 CYS 7 HB2 CYS 7 -0.189 -4.504 1.603 36 HB3 CYS 7 HB3 CYS 7 1.518 -4.727 1.874 37 H GLY 8 H GLY 8 -0.496 -3.947 3.990 38 HA2 GLY 8 HA2 GLY 8 0.396 -2.801 5.858 39 HA3 GLY 8 HA3 GLY 8 1.911 -3.694 5.640 40 H CYS 9 H CYS 9 0.778 -2.998 2.615 41 HA CYS 9 HA CYS 9 2.692 -0.916 2.201 42 HB2 CYS 9 HB2 CYS 9 0.832 -2.511 0.509 43 HB3 CYS 9 HB3 CYS 9 1.398 -0.990 -0.109 44 H ALA 10 H ALA 10 1.924 0.985 0.952 45 HA ALA 10 HA ALA 10 -0.076 2.411 2.323 46 HB1 ALA 10 HB1 ALA 10 1.315 2.883 -0.304 47 HB2 ALA 10 HB2 ALA 10 1.820 3.502 1.269 48 HB3 ALA 10 HB3 ALA 10 0.318 4.075 0.530 49 H VAL 11 H VAL 11 -2.070 3.129 1.390 50 HA VAL 11 HA VAL 11 -3.074 1.613 -0.891 51 HB VAL 11 HB VAL 11 -4.723 2.062 1.615 52 HG11 VAL 11 HG11 VAL 11 -6.002 1.900 -0.400 53 HG12 VAL 11 HG12 VAL 11 -6.266 0.461 0.592 54 HG13 VAL 11 HG13 VAL 11 -5.215 0.383 -0.825 55 HG21 VAL 11 HG21 VAL 11 -3.416 -0.518 0.756 56 HG22 VAL 11 HG22 VAL 11 -4.512 -0.321 2.125 57 HG23 VAL 11 HG23 VAL 11 -2.932 0.466 2.132 58 HA PRO 12 HA PRO 12 -3.780 2.085 -2.724 59 HB2 PRO 12 HB2 PRO 12 -3.066 4.255 -4.536 60 HB3 PRO 12 HB3 PRO 12 -4.389 3.093 -4.672 61 HG2 PRO 12 HG2 PRO 12 -4.802 5.724 -4.166 62 HG3 PRO 12 HG3 PRO 12 -5.870 4.450 -3.551 63 HD2 PRO 12 HD2 PRO 12 -3.683 5.933 -2.135 64 HD3 PRO 12 HD3 PRO 12 -5.300 5.485 -1.555 65 H CYS 13 H CYS 13 -1.852 1.185 -3.329 66 HA CYS 13 HA CYS 13 0.472 2.392 -2.216 67 HB2 CYS 13 HB2 CYS 13 0.098 -0.016 -1.977 68 HB3 CYS 13 HB3 CYS 13 0.245 -0.241 -3.733 69 HA PRO 14 HA PRO 14 1.379 4.570 -5.892 70 HB2 PRO 14 HB2 PRO 14 3.761 5.623 -5.168 71 HB3 PRO 14 HB3 PRO 14 2.228 6.180 -4.498 72 HG2 PRO 14 HG2 PRO 14 4.261 4.351 -3.295 73 HG3 PRO 14 HG3 PRO 14 3.284 5.608 -2.518 74 HD2 PRO 14 HD2 PRO 14 2.754 2.911 -2.431 75 HD3 PRO 14 HD3 PRO 14 1.532 4.189 -2.197 76 H GLY 15 H GLY 15 3.351 2.033 -4.771 77 HA2 GLY 15 HA2 GLY 15 4.202 0.382 -6.264 78 HA3 GLY 15 HA3 GLY 15 4.260 1.605 -7.518 79 H GLY 16 H GLY 16 5.710 3.578 -5.985 80 HA2 GLY 16 HA2 GLY 16 8.328 2.398 -6.328 81 HA3 GLY 16 HA3 GLY 16 7.973 4.097 -6.078 82 H THR 17 H THR 17 8.347 4.941 -4.143 83 HA THR 17 HA THR 17 9.872 3.691 -2.199 84 HB THR 17 HB THR 17 8.085 6.072 -1.730 85 HG1 THR 17 HG1 THR 17 10.478 5.871 -3.279 86 HG21 THR 17 HG21 THR 17 10.004 6.862 -0.411 87 HG22 THR 17 HG22 THR 17 10.909 5.415 -0.841 88 HG23 THR 17 HG23 THR 17 9.465 5.282 0.164 89 H GLY 18 H GLY 18 6.402 4.297 -2.392 90 HA2 GLY 18 HA2 GLY 18 5.851 3.374 0.278 91 HA3 GLY 18 HA3 GLY 18 4.663 3.797 -0.944 92 H CYS 19 H CYS 19 6.730 1.619 -2.363 93 HA CYS 19 HA CYS 19 4.747 -0.345 -1.809 94 HB2 CYS 19 HB2 CYS 19 5.437 -0.062 -4.175 95 HB3 CYS 19 HB3 CYS 19 7.031 -0.698 -3.739 96 H ARG 20 H ARG 20 5.198 -1.037 0.182 97 HA ARG 20 HA ARG 20 7.713 -2.134 0.903 98 HB2 ARG 20 HB2 ARG 20 4.962 -2.400 2.139 99 HB3 ARG 20 HB3 ARG 20 6.437 -3.033 2.859 100 HG2 ARG 20 HG2 ARG 20 7.324 -0.839 3.162 101 HG3 ARG 20 HG3 ARG 20 6.020 -0.123 2.216 102 HD2 ARG 20 HD2 ARG 20 5.706 0.174 4.643 103 HD3 ARG 20 HD3 ARG 20 4.406 -0.736 3.885 104 HE ARG 20 HE ARG 20 6.166 -2.638 4.771 105 HH11 ARG 20 HH11 ARG 20 4.393 -0.020 6.377 106 HH12 ARG 20 HH12 ARG 20 4.265 -0.856 7.853 107 HH21 ARG 20 HH21 ARG 20 5.973 -3.747 6.743 108 HH22 ARG 20 HH22 ARG 20 5.178 -3.018 8.080 109 H CYS 21 H CYS 21 7.511 -3.137 -1.260 110 HA CYS 21 HA CYS 21 7.413 -5.998 -0.841 111 HB2 CYS 21 HB2 CYS 21 5.830 -4.574 -2.954 112 HB3 CYS 21 HB3 CYS 21 6.530 -6.126 -3.345 113 H THR 22 H THR 22 9.285 -3.815 -1.001 114 HA THR 22 HA THR 22 10.641 -4.177 -3.548 115 HB THR 22 HB THR 22 10.261 -1.867 -2.657 116 HG1 THR 22 HG1 THR 22 11.947 -1.393 -3.703 117 HG21 THR 22 HG21 THR 22 11.584 -1.068 -0.734 118 HG22 THR 22 HG22 THR 22 12.143 -2.718 -0.455 119 HG23 THR 22 HG23 THR 22 10.432 -2.322 -0.284 120 H SER 23 H SER 23 10.551 -5.420 -0.453 121 HA SER 23 HA SER 23 13.154 -6.724 -0.772 122 HB2 SER 23 HB2 SER 23 13.136 -4.965 1.070 123 HB3 SER 23 HB3 SER 23 11.854 -5.877 1.854 124 HG SER 23 HG SER 23 14.014 -7.410 1.220 125 H ALA 24 H ALA 24 10.329 -7.352 -1.569 126 HA ALA 24 HA ALA 24 10.057 -9.878 -0.157 127 HB1 ALA 24 HB1 ALA 24 7.658 -9.588 0.110 128 HB2 ALA 24 HB2 ALA 24 7.751 -7.985 -0.605 129 HB3 ALA 24 HB3 ALA 24 8.519 -8.296 0.955 130 H ARG 25 H ARG 25 8.869 -11.408 -1.352 131 HA ARG 25 HA ARG 25 9.261 -11.112 -4.188 132 HB2 ARG 25 HB2 ARG 25 8.214 -13.461 -2.602 133 HB3 ARG 25 HB3 ARG 25 8.554 -13.476 -4.324 134 HG2 ARG 25 HG2 ARG 25 10.586 -12.990 -2.156 135 HG3 ARG 25 HG3 ARG 25 10.337 -14.518 -2.996 136 HD2 ARG 25 HD2 ARG 25 10.892 -13.413 -5.126 137 HD3 ARG 25 HD3 ARG 25 11.172 -11.907 -4.250 138 HE ARG 25 HE ARG 25 12.776 -13.719 -3.026 139 HH11 ARG 25 HH11 ARG 25 12.462 -12.654 -6.413 140 HH12 ARG 25 HH12 ARG 25 14.122 -12.875 -6.740 141 HH21 ARG 25 HH21 ARG 25 15.026 -13.954 -3.525 142 HH22 ARG 25 HH22 ARG 25 15.594 -13.557 -5.089 143 H SER 26 H SER 26 7.740 -9.378 -4.162 144 HA SER 26 HA SER 26 5.282 -10.240 -5.410 145 HB2 SER 26 HB2 SER 26 5.262 -8.311 -3.059 146 HB3 SER 26 HB3 SER 26 3.877 -8.711 -4.068 147 HG SER 26 HG SER 26 5.140 -10.883 -3.009 148 H GLY 27 H GLY 27 7.886 -9.046 -6.004 149 HA2 GLY 27 HA2 GLY 27 7.007 -6.810 -7.510 150 HA3 GLY 27 HA3 GLY 27 8.159 -6.404 -6.230 151 H GLY 28 H GLY 28 8.362 -6.461 -9.199 152 HA2 GLY 28 HA2 GLY 28 10.404 -6.671 -10.383 153 HA3 GLY 28 HA3 GLY 28 10.900 -7.897 -9.224 154 H ALA 29 H ALA 29 9.278 -9.840 -9.236 155 HA ALA 29 HA ALA 29 9.332 -10.806 -11.991 156 HB1 ALA 29 HB1 ALA 29 8.806 -12.334 -9.442 157 HB2 ALA 29 HB2 ALA 29 10.372 -12.179 -10.236 158 HB3 ALA 29 HB3 ALA 29 9.056 -13.031 -11.041 159 H ALA 30 H ALA 30 7.145 -9.529 -9.800 160 HA ALA 30 HA ALA 30 4.944 -9.628 -11.518 161 HB1 ALA 30 HB1 ALA 30 3.430 -10.989 -10.089 162 HB2 ALA 30 HB2 ALA 30 4.795 -11.415 -9.063 163 HB3 ALA 30 HB3 ALA 30 4.746 -11.976 -10.732 164 H GLY 31 H GLY 31 2.958 -8.922 -9.900 165 HA2 GLY 31 HA2 GLY 31 2.492 -7.884 -7.782 166 HA3 GLY 31 HA3 GLY 31 4.129 -7.252 -7.791 Start of MODEL 11 1 HA ALA 1 HA ALA 1 0.357 -5.212 -8.780 2 HB1 ALA 1 HB1 ALA 1 0.451 -3.418 -10.446 3 HB2 ALA 1 HB2 ALA 1 -0.659 -4.314 -11.482 4 HB3 ALA 1 HB3 ALA 1 0.949 -4.955 -11.153 5 H GLY 2 H GLY 2 -0.981 -4.945 -7.121 6 HA2 GLY 2 HA2 GLY 2 -2.626 -2.758 -6.959 7 HA3 GLY 2 HA3 GLY 2 -3.679 -4.119 -7.350 8 H CYS 3 H CYS 3 -1.201 -3.064 -5.161 9 HA CYS 3 HA CYS 3 -1.708 -5.055 -3.191 10 HB2 CYS 3 HB2 CYS 3 -0.318 -2.405 -2.985 11 HB3 CYS 3 HB3 CYS 3 -0.275 -3.659 -1.762 12 H ASP 4 H ASP 4 -2.656 -4.706 -1.125 13 HA ASP 4 HA ASP 4 -4.421 -2.381 -0.871 14 HB2 ASP 4 HB2 ASP 4 -6.297 -3.779 -0.238 15 HB3 ASP 4 HB3 ASP 4 -5.734 -4.268 -1.834 16 H ASP 5 H ASP 5 -5.693 -3.078 1.441 17 HA ASP 5 HA ASP 5 -3.837 -2.323 3.418 18 HB2 ASP 5 HB2 ASP 5 -6.173 -1.723 3.592 19 HB3 ASP 5 HB3 ASP 5 -6.643 -3.411 3.663 20 H LYS 6 H LYS 6 -4.944 -5.471 2.389 21 HA LYS 6 HA LYS 6 -3.930 -6.704 4.766 22 HB2 LYS 6 HB2 LYS 6 -4.953 -7.924 2.209 23 HB3 LYS 6 HB3 LYS 6 -4.446 -8.851 3.610 24 HG2 LYS 6 HG2 LYS 6 -6.763 -6.944 3.411 25 HG3 LYS 6 HG3 LYS 6 -6.840 -8.697 3.605 26 HD2 LYS 6 HD2 LYS 6 -5.801 -6.691 5.622 27 HD3 LYS 6 HD3 LYS 6 -7.304 -7.588 5.724 28 HE2 LYS 6 HE2 LYS 6 -6.088 -9.679 5.915 29 HE3 LYS 6 HE3 LYS 6 -4.558 -8.832 5.705 30 HZ1 LYS 6 HZ1 LYS 6 -4.945 -9.271 8.017 31 HZ2 LYS 6 HZ2 LYS 6 -6.425 -8.489 8.001 32 HZ3 LYS 6 HZ3 LYS 6 -5.007 -7.620 7.756 33 H CYS 7 H CYS 7 -2.477 -5.473 2.070 34 HA CYS 7 HA CYS 7 -0.487 -7.564 1.896 35 HB2 CYS 7 HB2 CYS 7 -1.163 -6.084 -0.078 36 HB3 CYS 7 HB3 CYS 7 -0.162 -4.836 0.663 37 H GLY 8 H GLY 8 -0.894 -4.632 3.678 38 HA2 GLY 8 HA2 GLY 8 0.494 -3.891 5.418 39 HA3 GLY 8 HA3 GLY 8 1.737 -5.020 4.874 40 H CYS 9 H CYS 9 0.409 -3.464 2.356 41 HA CYS 9 HA CYS 9 2.626 -1.571 2.083 42 HB2 CYS 9 HB2 CYS 9 0.840 -3.040 0.259 43 HB3 CYS 9 HB3 CYS 9 1.365 -1.502 -0.295 44 H ALA 10 H ALA 10 1.879 0.459 0.903 45 HA ALA 10 HA ALA 10 -0.121 1.800 2.358 46 HB1 ALA 10 HB1 ALA 10 1.718 2.987 1.373 47 HB2 ALA 10 HB2 ALA 10 0.220 3.566 0.619 48 HB3 ALA 10 HB3 ALA 10 1.264 2.408 -0.221 49 H VAL 11 H VAL 11 -2.076 2.746 1.448 50 HA VAL 11 HA VAL 11 -3.271 1.183 -0.719 51 HB VAL 11 HB VAL 11 -4.776 1.995 1.777 52 HG11 VAL 11 HG11 VAL 11 -6.509 0.503 0.961 53 HG12 VAL 11 HG12 VAL 11 -5.501 0.077 -0.415 54 HG13 VAL 11 HG13 VAL 11 -6.104 1.728 -0.250 55 HG21 VAL 11 HG21 VAL 11 -4.723 -0.347 2.479 56 HG22 VAL 11 HG22 VAL 11 -3.095 0.333 2.398 57 HG23 VAL 11 HG23 VAL 11 -3.672 -0.734 1.120 58 HA PRO 12 HA PRO 12 -3.666 1.630 -2.590 59 HB2 PRO 12 HB2 PRO 12 -2.890 3.645 -4.535 60 HB3 PRO 12 HB3 PRO 12 -4.259 2.536 -4.602 61 HG2 PRO 12 HG2 PRO 12 -4.531 5.229 -4.291 62 HG3 PRO 12 HG3 PRO 12 -5.700 4.054 -3.672 63 HD2 PRO 12 HD2 PRO 12 -3.522 5.501 -2.202 64 HD3 PRO 12 HD3 PRO 12 -5.182 5.147 -1.689 65 H CYS 13 H CYS 13 -1.649 0.992 -3.623 66 HA CYS 13 HA CYS 13 0.531 2.073 -2.102 67 HB2 CYS 13 HB2 CYS 13 0.186 -0.341 -2.163 68 HB3 CYS 13 HB3 CYS 13 0.434 -0.361 -3.919 69 HA PRO 14 HA PRO 14 1.606 4.599 -5.588 70 HB2 PRO 14 HB2 PRO 14 3.504 6.046 -4.472 71 HB3 PRO 14 HB3 PRO 14 1.860 6.077 -3.817 72 HG2 PRO 14 HG2 PRO 14 4.268 4.617 -2.807 73 HG3 PRO 14 HG3 PRO 14 3.033 5.497 -1.890 74 HD2 PRO 14 HD2 PRO 14 3.070 2.715 -2.288 75 HD3 PRO 14 HD3 PRO 14 1.659 3.694 -1.810 76 H GLY 15 H GLY 15 3.730 2.237 -4.420 77 HA2 GLY 15 HA2 GLY 15 5.363 1.106 -5.742 78 HA3 GLY 15 HA3 GLY 15 5.442 2.532 -6.775 79 H GLY 16 H GLY 16 7.806 1.835 -6.273 80 HA2 GLY 16 HA2 GLY 16 9.818 2.422 -5.364 81 HA3 GLY 16 HA3 GLY 16 9.023 3.923 -4.927 82 H THR 17 H THR 17 9.261 4.404 -2.840 83 HA THR 17 HA THR 17 10.162 2.506 -0.930 84 HB THR 17 HB THR 17 9.085 5.267 -0.359 85 HG1 THR 17 HG1 THR 17 11.795 4.840 -0.973 86 HG21 THR 17 HG21 THR 17 11.337 3.632 0.850 87 HG22 THR 17 HG22 THR 17 9.751 3.882 1.576 88 HG23 THR 17 HG23 THR 17 10.852 5.243 1.372 89 H GLY 18 H GLY 18 7.094 3.676 -1.968 90 HA2 GLY 18 HA2 GLY 18 5.686 2.926 0.419 91 HA3 GLY 18 HA3 GLY 18 4.965 3.439 -1.103 92 H CYS 19 H CYS 19 6.911 1.251 -2.293 93 HA CYS 19 HA CYS 19 4.853 -0.714 -1.936 94 HB2 CYS 19 HB2 CYS 19 5.563 -0.292 -4.281 95 HB3 CYS 19 HB3 CYS 19 7.142 -0.990 -3.883 96 H ARG 20 H ARG 20 5.239 -1.372 0.034 97 HA ARG 20 HA ARG 20 7.658 -2.639 0.744 98 HB2 ARG 20 HB2 ARG 20 4.908 -2.666 2.033 99 HB3 ARG 20 HB3 ARG 20 6.344 -3.390 2.761 100 HG2 ARG 20 HG2 ARG 20 7.435 -1.282 2.912 101 HG3 ARG 20 HG3 ARG 20 6.185 -0.495 1.957 102 HD2 ARG 20 HD2 ARG 20 4.598 -0.827 3.750 103 HD3 ARG 20 HD3 ARG 20 5.822 -1.674 4.718 104 HE ARG 20 HE ARG 20 6.899 0.756 3.993 105 HH11 ARG 20 HH11 ARG 20 4.262 -0.355 6.076 106 HH12 ARG 20 HH12 ARG 20 4.234 1.050 7.024 107 HH21 ARG 20 HH21 ARG 20 6.896 2.671 5.327 108 HH22 ARG 20 HH22 ARG 20 5.777 2.824 6.590 109 H CYS 21 H CYS 21 7.592 -3.586 -1.216 110 HA CYS 21 HA CYS 21 7.288 -6.486 -0.927 111 HB2 CYS 21 HB2 CYS 21 5.978 -4.872 -3.074 112 HB3 CYS 21 HB3 CYS 21 6.664 -6.421 -3.509 113 H THR 22 H THR 22 9.363 -4.207 -1.107 114 HA THR 22 HA THR 22 10.705 -5.095 -3.567 115 HB THR 22 HB THR 22 10.942 -2.337 -2.393 116 HG1 THR 22 HG1 THR 22 8.908 -2.246 -2.922 117 HG21 THR 22 HG21 THR 22 11.352 -3.431 -5.172 118 HG22 THR 22 HG22 THR 22 12.640 -3.024 -4.034 119 HG23 THR 22 HG23 THR 22 11.587 -1.756 -4.674 120 H SER 23 H SER 23 11.182 -3.854 -0.263 121 HA SER 23 HA SER 23 14.055 -4.163 -0.486 122 HB2 SER 23 HB2 SER 23 12.421 -3.319 1.894 123 HB3 SER 23 HB3 SER 23 14.139 -3.018 1.607 124 HG SER 23 HG SER 23 13.458 -1.816 -0.283 125 H ALA 24 H ALA 24 11.375 -5.965 0.614 126 HA ALA 24 HA ALA 24 13.166 -7.783 2.037 127 HB1 ALA 24 HB1 ALA 24 10.267 -7.190 2.630 128 HB2 ALA 24 HB2 ALA 24 11.648 -6.664 3.593 129 HB3 ALA 24 HB3 ALA 24 11.268 -8.382 3.456 130 H ARG 25 H ARG 25 12.407 -10.016 1.951 131 HA ARG 25 HA ARG 25 11.461 -10.634 -0.678 132 HB2 ARG 25 HB2 ARG 25 12.443 -12.348 1.579 133 HB3 ARG 25 HB3 ARG 25 11.702 -13.053 0.149 134 HG2 ARG 25 HG2 ARG 25 14.145 -11.295 0.173 135 HG3 ARG 25 HG3 ARG 25 14.127 -13.058 0.014 136 HD2 ARG 25 HD2 ARG 25 12.751 -12.828 -2.029 137 HD3 ARG 25 HD3 ARG 25 12.868 -11.080 -1.888 138 HE ARG 25 HE ARG 25 15.433 -12.094 -1.908 139 HH11 ARG 25 HH11 ARG 25 12.644 -11.887 -4.080 140 HH12 ARG 25 HH12 ARG 25 13.576 -11.803 -5.500 141 HH21 ARG 25 HH21 ARG 25 16.706 -11.968 -3.837 142 HH22 ARG 25 HH22 ARG 25 15.956 -11.827 -5.370 143 H SER 26 H SER 26 9.501 -9.956 -0.828 144 HA SER 26 HA SER 26 7.463 -10.968 0.968 145 HB2 SER 26 HB2 SER 26 7.306 -8.978 -1.302 146 HB3 SER 26 HB3 SER 26 6.088 -9.266 -0.055 147 HG SER 26 HG SER 26 8.293 -8.853 1.223 148 H GLY 27 H GLY 27 9.013 -12.403 -1.279 149 HA2 GLY 27 HA2 GLY 27 8.510 -14.259 -2.527 150 HA3 GLY 27 HA3 GLY 27 6.811 -14.010 -2.146 151 H GLY 28 H GLY 28 5.581 -12.729 -3.436 152 HA2 GLY 28 HA2 GLY 28 6.552 -11.282 -5.636 153 HA3 GLY 28 HA3 GLY 28 5.955 -12.867 -6.143 154 H ALA 29 H ALA 29 5.049 -9.811 -5.878 155 HA ALA 29 HA ALA 29 2.451 -10.213 -4.732 156 HB1 ALA 29 HB1 ALA 29 3.556 -7.866 -6.264 157 HB2 ALA 29 HB2 ALA 29 3.618 -8.074 -4.515 158 HB3 ALA 29 HB3 ALA 29 2.060 -7.892 -5.327 159 H ALA 30 H ALA 30 1.244 -11.539 -5.848 160 HA ALA 30 HA ALA 30 1.220 -11.650 -8.696 161 HB1 ALA 30 HB1 ALA 30 -0.551 -13.301 -8.399 162 HB2 ALA 30 HB2 ALA 30 -0.659 -12.884 -6.689 163 HB3 ALA 30 HB3 ALA 30 0.801 -13.640 -7.319 164 H GLY 31 H GLY 31 0.430 -9.918 -9.702 165 HA2 GLY 31 HA2 GLY 31 -1.489 -8.761 -10.520 166 HA3 GLY 31 HA3 GLY 31 -2.272 -9.040 -8.970 Start of MODEL 12 1 HA ALA 1 HA ALA 1 1.294 -2.963 -8.116 2 HB1 ALA 1 HB1 ALA 1 1.202 -2.568 -10.531 3 HB2 ALA 1 HB2 ALA 1 0.023 -1.576 -9.672 4 HB3 ALA 1 HB3 ALA 1 -0.502 -3.018 -10.537 5 H GLY 2 H GLY 2 -0.624 -5.413 -7.726 6 HA2 GLY 2 HA2 GLY 2 -2.959 -3.941 -6.759 7 HA3 GLY 2 HA3 GLY 2 -2.871 -5.683 -7.001 8 H CYS 3 H CYS 3 -1.762 -3.058 -4.982 9 HA CYS 3 HA CYS 3 -1.265 -5.014 -2.867 10 HB2 CYS 3 HB2 CYS 3 -0.306 -2.165 -3.133 11 HB3 CYS 3 HB3 CYS 3 0.072 -3.247 -1.802 12 H ASP 4 H ASP 4 -2.182 -4.586 -0.805 13 HA ASP 4 HA ASP 4 -4.266 -2.546 -0.633 14 HB2 ASP 4 HB2 ASP 4 -5.267 -4.736 -1.514 15 HB3 ASP 4 HB3 ASP 4 -4.734 -5.500 -0.027 16 H ASP 5 H ASP 5 -5.232 -3.358 1.865 17 HA ASP 5 HA ASP 5 -3.115 -2.493 3.580 18 HB2 ASP 5 HB2 ASP 5 -5.431 -1.840 4.011 19 HB3 ASP 5 HB3 ASP 5 -5.876 -3.529 4.225 20 H LYS 6 H LYS 6 -4.246 -5.419 2.487 21 HA LYS 6 HA LYS 6 -3.306 -7.162 4.591 22 HB2 LYS 6 HB2 LYS 6 -4.048 -7.742 1.729 23 HB3 LYS 6 HB3 LYS 6 -3.843 -8.935 3.003 24 HG2 LYS 6 HG2 LYS 6 -5.932 -6.771 3.003 25 HG3 LYS 6 HG3 LYS 6 -6.209 -8.427 2.470 26 HD2 LYS 6 HD2 LYS 6 -5.616 -9.235 4.700 27 HD3 LYS 6 HD3 LYS 6 -5.338 -7.571 5.222 28 HE2 LYS 6 HE2 LYS 6 -7.658 -7.029 4.776 29 HE3 LYS 6 HE3 LYS 6 -7.930 -8.663 4.184 30 HZ1 LYS 6 HZ1 LYS 6 -7.098 -8.039 6.964 31 HZ2 LYS 6 HZ2 LYS 6 -7.532 -9.536 6.364 32 HZ3 LYS 6 HZ3 LYS 6 -8.680 -8.326 6.480 33 H CYS 7 H CYS 7 -1.628 -5.265 2.528 34 HA CYS 7 HA CYS 7 0.248 -7.378 1.711 35 HB2 CYS 7 HB2 CYS 7 -0.910 -5.666 0.091 36 HB3 CYS 7 HB3 CYS 7 0.425 -4.631 0.601 37 H GLY 8 H GLY 8 -0.010 -4.569 3.723 38 HA2 GLY 8 HA2 GLY 8 1.553 -3.841 5.274 39 HA3 GLY 8 HA3 GLY 8 2.740 -4.940 4.567 40 H CYS 9 H CYS 9 0.982 -3.107 2.362 41 HA CYS 9 HA CYS 9 3.270 -1.374 1.857 42 HB2 CYS 9 HB2 CYS 9 1.244 -2.749 0.254 43 HB3 CYS 9 HB3 CYS 9 1.719 -1.190 -0.325 44 H ALA 10 H ALA 10 2.396 0.719 0.676 45 HA ALA 10 HA ALA 10 0.650 2.086 2.417 46 HB1 ALA 10 HB1 ALA 10 1.658 2.711 -0.348 47 HB2 ALA 10 HB2 ALA 10 2.416 3.207 1.167 48 HB3 ALA 10 HB3 ALA 10 0.840 3.861 0.712 49 H VAL 11 H VAL 11 -1.474 2.907 1.799 50 HA VAL 11 HA VAL 11 -2.793 1.365 -0.314 51 HB VAL 11 HB VAL 11 -4.044 1.857 2.403 52 HG11 VAL 11 HG11 VAL 11 -5.730 0.243 1.658 53 HG12 VAL 11 HG12 VAL 11 -4.923 0.143 0.095 54 HG13 VAL 11 HG13 VAL 11 -5.648 1.666 0.618 55 HG21 VAL 11 HG21 VAL 11 -2.857 -0.717 1.362 56 HG22 VAL 11 HG22 VAL 11 -3.762 -0.530 2.865 57 HG23 VAL 11 HG23 VAL 11 -2.206 0.273 2.668 58 HA PRO 12 HA PRO 12 -3.607 1.817 -2.089 59 HB2 PRO 12 HB2 PRO 12 -3.271 3.425 -4.230 60 HB3 PRO 12 HB3 PRO 12 -4.874 3.084 -3.568 61 HG2 PRO 12 HG2 PRO 12 -3.116 5.462 -3.144 62 HG3 PRO 12 HG3 PRO 12 -4.853 5.415 -3.490 63 HD2 PRO 12 HD2 PRO 12 -3.877 5.764 -0.991 64 HD3 PRO 12 HD3 PRO 12 -5.399 4.908 -1.302 65 H CYS 13 H CYS 13 -1.749 1.228 -3.348 66 HA CYS 13 HA CYS 13 0.612 2.384 -2.162 67 HB2 CYS 13 HB2 CYS 13 0.293 -0.077 -2.103 68 HB3 CYS 13 HB3 CYS 13 0.408 -0.127 -3.868 69 HA PRO 14 HA PRO 14 1.313 4.712 -5.853 70 HB2 PRO 14 HB2 PRO 14 3.574 5.931 -5.181 71 HB3 PRO 14 HB3 PRO 14 2.087 6.237 -4.281 72 HG2 PRO 14 HG2 PRO 14 4.376 4.441 -3.577 73 HG3 PRO 14 HG3 PRO 14 3.507 5.581 -2.539 74 HD2 PRO 14 HD2 PRO 14 3.008 2.874 -2.617 75 HD3 PRO 14 HD3 PRO 14 1.811 4.102 -2.135 76 H GLY 15 H GLY 15 2.911 1.957 -5.184 77 HA2 GLY 15 HA2 GLY 15 3.933 0.539 -6.732 78 HA3 GLY 15 HA3 GLY 15 4.138 1.898 -7.808 79 H GLY 16 H GLY 16 5.677 3.568 -6.063 80 HA2 GLY 16 HA2 GLY 16 8.107 1.897 -5.922 81 HA3 GLY 16 HA3 GLY 16 8.103 3.595 -6.368 82 H THR 17 H THR 17 7.367 5.102 -4.706 83 HA THR 17 HA THR 17 9.046 5.240 -2.587 84 HB THR 17 HB THR 17 6.298 6.455 -2.780 85 HG1 THR 17 HG1 THR 17 8.809 7.130 -3.914 86 HG21 THR 17 HG21 THR 17 7.344 6.801 -0.587 87 HG22 THR 17 HG22 THR 17 7.313 8.313 -1.499 88 HG23 THR 17 HG23 THR 17 8.809 7.384 -1.375 89 H GLY 18 H GLY 18 5.774 3.966 -2.517 90 HA2 GLY 18 HA2 GLY 18 6.209 3.155 0.288 91 HA3 GLY 18 HA3 GLY 18 4.629 3.579 -0.362 92 H CYS 19 H CYS 19 6.923 1.664 -2.197 93 HA CYS 19 HA CYS 19 4.938 -0.392 -1.970 94 HB2 CYS 19 HB2 CYS 19 5.744 0.223 -4.296 95 HB3 CYS 19 HB3 CYS 19 7.291 -0.511 -3.848 96 H ARG 20 H ARG 20 5.449 -0.963 0.081 97 HA ARG 20 HA ARG 20 7.972 -2.085 0.714 98 HB2 ARG 20 HB2 ARG 20 5.315 -2.232 2.169 99 HB3 ARG 20 HB3 ARG 20 6.869 -2.716 2.841 100 HG2 ARG 20 HG2 ARG 20 7.683 -0.490 2.832 101 HG3 ARG 20 HG3 ARG 20 6.344 0.070 1.839 102 HD2 ARG 20 HD2 ARG 20 6.029 0.780 4.126 103 HD3 ARG 20 HD3 ARG 20 4.802 -0.405 3.697 104 HE ARG 20 HE ARG 20 7.071 -1.579 4.930 105 HH11 ARG 20 HH11 ARG 20 3.947 0.005 5.539 106 HH12 ARG 20 HH12 ARG 20 3.836 -0.466 7.155 107 HH21 ARG 20 HH21 ARG 20 6.917 -2.274 7.171 108 HH22 ARG 20 HH22 ARG 20 5.581 -1.805 8.124 109 H CYS 21 H CYS 21 7.691 -3.168 -1.304 110 HA CYS 21 HA CYS 21 7.185 -6.049 -0.854 111 HB2 CYS 21 HB2 CYS 21 6.299 -4.321 -3.106 112 HB3 CYS 21 HB3 CYS 21 7.164 -5.757 -3.594 113 H THR 22 H THR 22 9.326 -3.941 -0.639 114 HA THR 22 HA THR 22 11.088 -4.405 -2.847 115 HB THR 22 HB THR 22 10.786 -2.153 -1.858 116 HG1 THR 22 HG1 THR 22 12.653 -1.781 -2.589 117 HG21 THR 22 HG21 THR 22 11.883 -1.583 0.277 118 HG22 THR 22 HG22 THR 22 12.221 -3.295 0.549 119 HG23 THR 22 HG23 THR 22 10.552 -2.718 0.488 120 H SER 23 H SER 23 10.547 -5.773 0.208 121 HA SER 23 HA SER 23 13.127 -7.167 0.144 122 HB2 SER 23 HB2 SER 23 11.026 -7.134 2.335 123 HB3 SER 23 HB3 SER 23 12.664 -7.774 2.450 124 HG SER 23 HG SER 23 13.478 -5.707 2.276 125 H ALA 24 H ALA 24 9.745 -7.423 -0.364 126 HA ALA 24 HA ALA 24 9.549 -10.277 -0.155 127 HB1 ALA 24 HB1 ALA 24 7.262 -9.945 -0.993 128 HB2 ALA 24 HB2 ALA 24 7.616 -8.243 -1.275 129 HB3 ALA 24 HB3 ALA 24 7.608 -8.880 0.367 130 H ARG 25 H ARG 25 10.808 -11.256 -1.613 131 HA ARG 25 HA ARG 25 10.780 -10.373 -4.375 132 HB2 ARG 25 HB2 ARG 25 12.191 -12.765 -3.171 133 HB3 ARG 25 HB3 ARG 25 12.438 -12.115 -4.781 134 HG2 ARG 25 HG2 ARG 25 13.111 -10.740 -2.189 135 HG3 ARG 25 HG3 ARG 25 14.256 -11.502 -3.291 136 HD2 ARG 25 HD2 ARG 25 13.624 -9.890 -5.028 137 HD3 ARG 25 HD3 ARG 25 12.505 -9.127 -3.894 138 HE ARG 25 HE ARG 25 15.182 -9.328 -2.918 139 HH11 ARG 25 HH11 ARG 25 12.970 -7.267 -4.776 140 HH12 ARG 25 HH12 ARG 25 13.881 -5.845 -4.527 141 HH21 ARG 25 HH21 ARG 25 16.399 -7.390 -2.585 142 HH22 ARG 25 HH22 ARG 25 15.872 -5.913 -3.235 143 H SER 26 H SER 26 8.811 -10.796 -5.118 144 HA SER 26 HA SER 26 8.053 -13.611 -5.180 145 HB2 SER 26 HB2 SER 26 6.553 -12.305 -3.679 146 HB3 SER 26 HB3 SER 26 6.166 -11.242 -5.030 147 HG SER 26 HG SER 26 4.562 -12.689 -5.109 148 H GLY 27 H GLY 27 8.625 -14.187 -7.141 149 HA2 GLY 27 HA2 GLY 27 8.348 -12.340 -9.380 150 HA3 GLY 27 HA3 GLY 27 9.159 -13.901 -9.407 151 H GLY 28 H GLY 28 6.335 -14.377 -7.878 152 HA2 GLY 28 HA2 GLY 28 5.022 -15.183 -10.373 153 HA3 GLY 28 HA3 GLY 28 4.829 -16.002 -8.827 154 H ALA 29 H ALA 29 3.547 -15.105 -7.256 155 HA ALA 29 HA ALA 29 1.471 -13.397 -8.312 156 HB1 ALA 29 HB1 ALA 29 0.870 -15.446 -7.089 157 HB2 ALA 29 HB2 ALA 29 0.224 -14.003 -6.314 158 HB3 ALA 29 HB3 ALA 29 1.649 -14.801 -5.645 159 H ALA 30 H ALA 30 2.291 -11.378 -8.400 160 HA ALA 30 HA ALA 30 2.093 -9.717 -6.174 161 HB1 ALA 30 HB1 ALA 30 4.429 -8.886 -6.071 162 HB2 ALA 30 HB2 ALA 30 4.927 -10.187 -7.157 163 HB3 ALA 30 HB3 ALA 30 4.302 -10.565 -5.550 164 H GLY 31 H GLY 31 1.985 -7.563 -6.906 165 HA2 GLY 31 HA2 GLY 31 2.985 -6.758 -9.408 166 HA3 GLY 31 HA3 GLY 31 1.280 -7.179 -9.538 Start of MODEL 13 1 HA ALA 1 HA ALA 1 3.076 -5.866 -6.689 2 HB1 ALA 1 HB1 ALA 1 4.275 -4.401 -8.231 3 HB2 ALA 1 HB2 ALA 1 3.774 -3.555 -6.767 4 HB3 ALA 1 HB3 ALA 1 2.890 -3.314 -8.275 5 H GLY 2 H GLY 2 0.104 -5.831 -7.666 6 HA2 GLY 2 HA2 GLY 2 -1.211 -3.719 -6.392 7 HA3 GLY 2 HA3 GLY 2 -1.915 -5.282 -6.778 8 H CYS 3 H CYS 3 -1.475 -3.244 -4.299 9 HA CYS 3 HA CYS 3 -1.523 -5.377 -2.316 10 HB2 CYS 3 HB2 CYS 3 0.002 -2.821 -2.098 11 HB3 CYS 3 HB3 CYS 3 -0.061 -4.104 -0.920 12 H ASP 4 H ASP 4 -2.597 -4.654 -0.411 13 HA ASP 4 HA ASP 4 -3.816 -1.998 -0.334 14 HB2 ASP 4 HB2 ASP 4 -5.338 -4.613 0.097 15 HB3 ASP 4 HB3 ASP 4 -5.948 -3.046 0.549 16 H ASP 5 H ASP 5 -5.296 -2.636 2.054 17 HA ASP 5 HA ASP 5 -3.227 -2.378 3.984 18 HB2 ASP 5 HB2 ASP 5 -5.019 -2.177 5.606 19 HB3 ASP 5 HB3 ASP 5 -5.455 -1.262 4.168 20 H LYS 6 H LYS 6 -4.651 -5.009 2.528 21 HA LYS 6 HA LYS 6 -4.503 -6.880 4.690 22 HB2 LYS 6 HB2 LYS 6 -4.502 -7.354 1.700 23 HB3 LYS 6 HB3 LYS 6 -4.708 -8.594 2.919 24 HG2 LYS 6 HG2 LYS 6 -6.589 -6.281 2.460 25 HG3 LYS 6 HG3 LYS 6 -6.817 -7.911 1.835 26 HD2 LYS 6 HD2 LYS 6 -6.629 -7.189 4.763 27 HD3 LYS 6 HD3 LYS 6 -8.135 -7.450 3.892 28 HE2 LYS 6 HE2 LYS 6 -5.949 -9.499 4.314 29 HE3 LYS 6 HE3 LYS 6 -7.474 -9.430 5.179 30 HZ1 LYS 6 HZ1 LYS 6 -8.632 -9.820 3.056 31 HZ2 LYS 6 HZ2 LYS 6 -7.586 -11.057 3.450 32 HZ3 LYS 6 HZ3 LYS 6 -7.146 -9.963 2.261 33 H CYS 7 H CYS 7 -2.306 -5.540 2.385 34 HA CYS 7 HA CYS 7 -0.425 -7.681 2.649 35 HB2 CYS 7 HB2 CYS 7 -0.611 -6.504 0.488 36 HB3 CYS 7 HB3 CYS 7 -0.008 -5.028 1.258 37 H GLY 8 H GLY 8 -0.798 -4.476 4.035 38 HA2 GLY 8 HA2 GLY 8 0.440 -3.704 5.904 39 HA3 GLY 8 HA3 GLY 8 1.641 -4.958 5.585 40 H CYS 9 H CYS 9 0.374 -3.051 3.088 41 HA CYS 9 HA CYS 9 2.873 -1.549 2.782 42 HB2 CYS 9 HB2 CYS 9 1.225 -3.095 0.960 43 HB3 CYS 9 HB3 CYS 9 1.490 -1.502 0.353 44 H ALA 10 H ALA 10 2.179 0.437 1.248 45 HA ALA 10 HA ALA 10 0.446 2.058 2.730 46 HB1 ALA 10 HB1 ALA 10 2.323 2.898 1.448 47 HB2 ALA 10 HB2 ALA 10 0.815 3.627 0.876 48 HB3 ALA 10 HB3 ALA 10 1.579 2.312 -0.036 49 H VAL 11 H VAL 11 -1.564 2.991 1.963 50 HA VAL 11 HA VAL 11 -3.024 1.347 0.026 51 HB VAL 11 HB VAL 11 -4.201 2.455 2.585 52 HG11 VAL 11 HG11 VAL 11 -5.807 2.228 0.799 53 HG12 VAL 11 HG12 VAL 11 -6.130 1.036 2.060 54 HG13 VAL 11 HG13 VAL 11 -5.345 0.544 0.558 55 HG21 VAL 11 HG21 VAL 11 -2.609 0.679 3.116 56 HG22 VAL 11 HG22 VAL 11 -3.448 -0.408 2.006 57 HG23 VAL 11 HG23 VAL 11 -4.265 0.189 3.454 58 HA PRO 12 HA PRO 12 -3.640 1.635 -1.804 59 HB2 PRO 12 HB2 PRO 12 -3.078 3.351 -4.056 60 HB3 PRO 12 HB3 PRO 12 -4.533 2.405 -3.754 61 HG2 PRO 12 HG2 PRO 12 -4.472 5.138 -3.735 62 HG3 PRO 12 HG3 PRO 12 -5.641 4.165 -2.828 63 HD2 PRO 12 HD2 PRO 12 -3.129 5.484 -1.848 64 HD3 PRO 12 HD3 PRO 12 -4.728 5.375 -1.079 65 H CYS 13 H CYS 13 -1.828 0.710 -2.912 66 HA CYS 13 HA CYS 13 0.571 1.904 -1.930 67 HB2 CYS 13 HB2 CYS 13 0.193 -0.499 -1.581 68 HB3 CYS 13 HB3 CYS 13 0.270 -0.789 -3.332 69 HA PRO 14 HA PRO 14 1.256 3.903 -5.834 70 HB2 PRO 14 HB2 PRO 14 3.333 5.401 -5.125 71 HB3 PRO 14 HB3 PRO 14 1.727 5.660 -4.438 72 HG2 PRO 14 HG2 PRO 14 4.096 4.286 -3.232 73 HG3 PRO 14 HG3 PRO 14 2.913 5.359 -2.468 74 HD2 PRO 14 HD2 PRO 14 2.892 2.579 -2.353 75 HD3 PRO 14 HD3 PRO 14 1.512 3.653 -2.022 76 H GLY 15 H GLY 15 3.180 1.424 -4.829 77 HA2 GLY 15 HA2 GLY 15 4.357 0.020 -6.320 78 HA3 GLY 15 HA3 GLY 15 4.403 1.341 -7.464 79 H GLY 16 H GLY 16 5.733 3.201 -5.566 80 HA2 GLY 16 HA2 GLY 16 8.390 1.995 -5.903 81 HA3 GLY 16 HA3 GLY 16 8.040 3.714 -5.840 82 H THR 17 H THR 17 8.120 4.756 -3.948 83 HA THR 17 HA THR 17 9.594 3.749 -1.801 84 HB THR 17 HB THR 17 7.713 6.122 -1.728 85 HG1 THR 17 HG1 THR 17 8.916 6.975 -3.183 86 HG21 THR 17 HG21 THR 17 9.397 7.059 -0.203 87 HG22 THR 17 HG22 THR 17 10.364 5.593 -0.361 88 HG23 THR 17 HG23 THR 17 8.780 5.525 0.415 89 H GLY 18 H GLY 18 6.148 4.100 -2.344 90 HA2 GLY 18 HA2 GLY 18 5.459 3.344 0.350 91 HA3 GLY 18 HA3 GLY 18 4.331 3.589 -0.977 92 H CYS 19 H CYS 19 6.672 1.509 -2.141 93 HA CYS 19 HA CYS 19 4.849 -0.608 -1.500 94 HB2 CYS 19 HB2 CYS 19 5.334 -0.285 -3.933 95 HB3 CYS 19 HB3 CYS 19 7.001 -0.781 -3.607 96 H ARG 20 H ARG 20 5.495 -1.210 0.437 97 HA ARG 20 HA ARG 20 8.163 -1.965 1.003 98 HB2 ARG 20 HB2 ARG 20 5.529 -2.431 2.422 99 HB3 ARG 20 HB3 ARG 20 7.090 -2.925 3.080 100 HG2 ARG 20 HG2 ARG 20 7.856 -0.681 3.175 101 HG3 ARG 20 HG3 ARG 20 6.472 -0.110 2.262 102 HD2 ARG 20 HD2 ARG 20 5.001 -0.522 4.090 103 HD3 ARG 20 HD3 ARG 20 6.263 -1.361 5.001 104 HE ARG 20 HE ARG 20 7.510 0.777 4.932 105 HH11 ARG 20 HH11 ARG 20 3.953 0.823 5.011 106 HH12 ARG 20 HH12 ARG 20 3.870 2.445 5.492 107 HH21 ARG 20 HH21 ARG 20 7.341 3.018 5.626 108 HH22 ARG 20 HH22 ARG 20 5.809 3.704 5.871 109 H CYS 21 H CYS 21 7.869 -3.038 -1.184 110 HA CYS 21 HA CYS 21 8.206 -5.861 -0.798 111 HB2 CYS 21 HB2 CYS 21 6.178 -4.700 -2.682 112 HB3 CYS 21 HB3 CYS 21 6.990 -6.219 -3.014 113 H THR 22 H THR 22 9.866 -3.627 -1.175 114 HA THR 22 HA THR 22 10.623 -3.681 -3.937 115 HB THR 22 HB THR 22 10.844 -1.564 -2.729 116 HG1 THR 22 HG1 THR 22 12.755 -0.993 -3.468 117 HG21 THR 22 HG21 THR 22 12.845 -2.971 -0.966 118 HG22 THR 22 HG22 THR 22 11.248 -2.369 -0.492 119 HG23 THR 22 HG23 THR 22 12.512 -1.236 -0.959 120 H SER 23 H SER 23 11.218 -5.423 -1.123 121 HA SER 23 HA SER 23 13.426 -6.902 -2.391 122 HB2 SER 23 HB2 SER 23 12.657 -6.888 0.542 123 HB3 SER 23 HB3 SER 23 14.116 -7.574 -0.176 124 HG SER 23 HG SER 23 14.370 -5.237 -0.954 125 H ALA 24 H ALA 24 10.369 -7.061 -0.614 126 HA ALA 24 HA ALA 24 10.062 -9.897 -0.793 127 HB1 ALA 24 HB1 ALA 24 7.802 -9.427 0.097 128 HB2 ALA 24 HB2 ALA 24 8.086 -7.707 -0.110 129 HB3 ALA 24 HB3 ALA 24 9.058 -8.628 1.036 130 H ARG 25 H ARG 25 8.833 -11.032 -2.281 131 HA ARG 25 HA ARG 25 8.191 -9.465 -4.679 132 HB2 ARG 25 HB2 ARG 25 8.785 -12.413 -4.472 133 HB3 ARG 25 HB3 ARG 25 8.486 -11.540 -5.965 134 HG2 ARG 25 HG2 ARG 25 10.788 -11.118 -4.070 135 HG3 ARG 25 HG3 ARG 25 10.867 -11.882 -5.661 136 HD2 ARG 25 HD2 ARG 25 10.348 -9.828 -6.751 137 HD3 ARG 25 HD3 ARG 25 9.933 -9.045 -5.235 138 HE ARG 25 HE ARG 25 12.622 -9.992 -5.367 139 HH11 ARG 25 HH11 ARG 25 10.437 -7.292 -6.090 140 HH12 ARG 25 HH12 ARG 25 11.650 -6.099 -6.017 141 HH21 ARG 25 HH21 ARG 25 14.271 -8.343 -5.192 142 HH22 ARG 25 HH22 ARG 25 13.887 -6.704 -5.484 143 H SER 26 H SER 26 6.615 -10.737 -2.171 144 HA SER 26 HA SER 26 4.322 -11.710 -3.589 145 HB2 SER 26 HB2 SER 26 4.570 -10.838 -0.701 146 HB3 SER 26 HB3 SER 26 3.335 -11.899 -1.382 147 HG SER 26 HG SER 26 4.654 -13.516 -1.186 148 H GLY 27 H GLY 27 3.896 -9.950 -4.981 149 HA2 GLY 27 HA2 GLY 27 2.521 -8.133 -5.467 150 HA3 GLY 27 HA3 GLY 27 2.448 -7.743 -3.752 151 H GLY 28 H GLY 28 5.223 -8.315 -5.827 152 HA2 GLY 28 HA2 GLY 28 5.986 -5.645 -6.266 153 HA3 GLY 28 HA3 GLY 28 6.851 -6.241 -4.865 154 H ALA 29 H ALA 29 5.873 -7.902 -7.787 155 HA ALA 29 HA ALA 29 8.658 -8.119 -8.645 156 HB1 ALA 29 HB1 ALA 29 8.151 -10.197 -7.443 157 HB2 ALA 29 HB2 ALA 29 8.355 -10.500 -9.170 158 HB3 ALA 29 HB3 ALA 29 6.738 -10.456 -8.469 159 H ALA 30 H ALA 30 5.396 -9.171 -9.517 160 HA ALA 30 HA ALA 30 5.684 -7.682 -12.021 161 HB1 ALA 30 HB1 ALA 30 4.373 -9.401 -13.184 162 HB2 ALA 30 HB2 ALA 30 4.249 -10.338 -11.704 163 HB3 ALA 30 HB3 ALA 30 5.820 -10.122 -12.479 164 H GLY 31 H GLY 31 3.202 -9.376 -10.129 165 HA2 GLY 31 HA2 GLY 31 1.380 -7.151 -10.535 166 HA3 GLY 31 HA3 GLY 31 1.026 -8.663 -9.694 Start of MODEL 14 1 HA ALA 1 HA ALA 1 4.302 -1.907 -6.500 2 HB1 ALA 1 HB1 ALA 1 4.287 -1.039 -8.788 3 HB2 ALA 1 HB2 ALA 1 3.290 -0.038 -7.734 4 HB3 ALA 1 HB3 ALA 1 2.533 -1.180 -8.838 5 H GLY 2 H GLY 2 1.082 -2.264 -7.902 6 HA2 GLY 2 HA2 GLY 2 -0.341 -1.073 -5.787 7 HA3 GLY 2 HA3 GLY 2 -1.030 -2.014 -7.099 8 H CYS 3 H CYS 3 -1.385 -1.867 -4.059 9 HA CYS 3 HA CYS 3 -1.523 -4.690 -3.502 10 HB2 CYS 3 HB2 CYS 3 0.066 -2.670 -2.024 11 HB3 CYS 3 HB3 CYS 3 -0.259 -4.227 -1.346 12 H ASP 4 H ASP 4 -2.487 -4.729 -1.004 13 HA ASP 4 HA ASP 4 -4.178 -2.389 -0.689 14 HB2 ASP 4 HB2 ASP 4 -5.310 -4.385 -1.910 15 HB3 ASP 4 HB3 ASP 4 -5.252 -5.199 -0.352 16 H ASP 5 H ASP 5 -5.550 -3.343 1.574 17 HA ASP 5 HA ASP 5 -3.779 -2.480 3.563 18 HB2 ASP 5 HB2 ASP 5 -6.075 -2.083 3.931 19 HB3 ASP 5 HB3 ASP 5 -6.478 -3.787 3.768 20 H LYS 6 H LYS 6 -4.820 -5.736 2.815 21 HA LYS 6 HA LYS 6 -3.677 -6.785 5.225 22 HB2 LYS 6 HB2 LYS 6 -4.781 -8.214 2.810 23 HB3 LYS 6 HB3 LYS 6 -4.264 -9.010 4.290 24 HG2 LYS 6 HG2 LYS 6 -6.449 -6.949 4.118 25 HG3 LYS 6 HG3 LYS 6 -6.713 -8.696 4.180 26 HD2 LYS 6 HD2 LYS 6 -5.669 -8.767 6.385 27 HD3 LYS 6 HD3 LYS 6 -5.332 -7.039 6.302 28 HE2 LYS 6 HE2 LYS 6 -8.064 -8.309 6.303 29 HE3 LYS 6 HE3 LYS 6 -7.299 -7.503 7.668 30 HZ1 LYS 6 HZ1 LYS 6 -7.221 -5.459 6.247 31 HZ2 LYS 6 HZ2 LYS 6 -8.762 -5.972 6.676 32 HZ3 LYS 6 HZ3 LYS 6 -8.195 -6.275 5.125 33 H CYS 7 H CYS 7 -2.293 -5.790 2.438 34 HA CYS 7 HA CYS 7 -0.264 -7.803 2.322 35 HB2 CYS 7 HB2 CYS 7 -1.089 -6.202 0.424 36 HB3 CYS 7 HB3 CYS 7 0.073 -5.085 1.138 37 H GLY 8 H GLY 8 -0.837 -4.790 3.977 38 HA2 GLY 8 HA2 GLY 8 0.417 -4.023 5.806 39 HA3 GLY 8 HA3 GLY 8 1.736 -5.094 5.323 40 H CYS 9 H CYS 9 0.384 -3.526 2.768 41 HA CYS 9 HA CYS 9 2.570 -1.603 2.622 42 HB2 CYS 9 HB2 CYS 9 0.935 -3.122 0.691 43 HB3 CYS 9 HB3 CYS 9 1.475 -1.568 0.170 44 H ALA 10 H ALA 10 1.675 0.334 1.110 45 HA ALA 10 HA ALA 10 -0.400 1.608 2.605 46 HB1 ALA 10 HB1 ALA 10 1.528 2.864 1.860 47 HB2 ALA 10 HB2 ALA 10 0.097 3.467 1.000 48 HB3 ALA 10 HB3 ALA 10 1.226 2.360 0.203 49 H VAL 11 H VAL 11 -2.257 2.604 1.377 50 HA VAL 11 HA VAL 11 -3.126 0.970 -0.885 51 HB VAL 11 HB VAL 11 -4.976 1.653 1.393 52 HG11 VAL 11 HG11 VAL 11 -6.029 1.275 -0.725 53 HG12 VAL 11 HG12 VAL 11 -6.439 -0.015 0.408 54 HG13 VAL 11 HG13 VAL 11 -5.253 -0.303 -0.868 55 HG21 VAL 11 HG21 VAL 11 -3.543 -0.994 1.007 56 HG22 VAL 11 HG22 VAL 11 -4.822 -0.700 2.169 57 HG23 VAL 11 HG23 VAL 11 -3.286 0.141 2.319 58 HA PRO 12 HA PRO 12 -3.518 1.397 -2.828 59 HB2 PRO 12 HB2 PRO 12 -2.584 3.505 -4.620 60 HB3 PRO 12 HB3 PRO 12 -3.862 2.318 -4.885 61 HG2 PRO 12 HG2 PRO 12 -4.366 4.957 -4.549 62 HG3 PRO 12 HG3 PRO 12 -5.491 3.686 -4.038 63 HD2 PRO 12 HD2 PRO 12 -3.556 5.268 -2.381 64 HD3 PRO 12 HD3 PRO 12 -5.231 4.800 -2.019 65 H CYS 13 H CYS 13 -1.468 0.733 -3.634 66 HA CYS 13 HA CYS 13 0.595 1.763 -1.944 67 HB2 CYS 13 HB2 CYS 13 0.225 -0.620 -2.014 68 HB3 CYS 13 HB3 CYS 13 0.676 -0.685 -3.738 69 HA PRO 14 HA PRO 14 2.069 4.448 -5.093 70 HB2 PRO 14 HB2 PRO 14 4.701 4.326 -3.783 71 HB3 PRO 14 HB3 PRO 14 3.625 5.710 -4.012 72 HG2 PRO 14 HG2 PRO 14 3.978 4.606 -1.610 73 HG3 PRO 14 HG3 PRO 14 2.394 5.223 -2.124 74 HD2 PRO 14 HD2 PRO 14 3.355 2.377 -1.967 75 HD3 PRO 14 HD3 PRO 14 1.799 3.132 -1.546 76 H GLY 15 H GLY 15 4.086 1.746 -4.260 77 HA2 GLY 15 HA2 GLY 15 4.683 0.206 -6.098 78 HA3 GLY 15 HA3 GLY 15 4.936 1.628 -7.098 79 H GLY 16 H GLY 16 6.492 3.192 -5.498 80 HA2 GLY 16 HA2 GLY 16 8.920 1.550 -5.316 81 HA3 GLY 16 HA3 GLY 16 8.879 3.307 -5.480 82 H THR 17 H THR 17 8.670 4.580 -3.697 83 HA THR 17 HA THR 17 9.313 3.497 -1.164 84 HB THR 17 HB THR 17 8.062 6.154 -1.772 85 HG1 THR 17 HG1 THR 17 10.698 6.395 -1.676 86 HG21 THR 17 HG21 THR 17 10.063 5.280 0.330 87 HG22 THR 17 HG22 THR 17 8.358 5.625 0.605 88 HG23 THR 17 HG23 THR 17 9.455 6.922 0.130 89 H GLY 18 H GLY 18 7.867 2.617 0.239 90 HA2 GLY 18 HA2 GLY 18 5.710 2.739 1.337 91 HA3 GLY 18 HA3 GLY 18 5.033 3.236 -0.212 92 H CYS 19 H CYS 19 6.865 1.295 -1.562 93 HA CYS 19 HA CYS 19 5.104 -0.923 -1.031 94 HB2 CYS 19 HB2 CYS 19 5.377 -0.208 -3.432 95 HB3 CYS 19 HB3 CYS 19 7.036 -0.808 -3.357 96 H ARG 20 H ARG 20 6.016 -1.682 0.780 97 HA ARG 20 HA ARG 20 8.666 -2.269 1.395 98 HB2 ARG 20 HB2 ARG 20 6.211 -3.835 2.156 99 HB3 ARG 20 HB3 ARG 20 7.788 -4.161 2.830 100 HG2 ARG 20 HG2 ARG 20 6.515 -2.922 4.424 101 HG3 ARG 20 HG3 ARG 20 7.777 -1.870 3.798 102 HD2 ARG 20 HD2 ARG 20 6.213 -0.647 2.492 103 HD3 ARG 20 HD3 ARG 20 4.947 -1.845 2.768 104 HE ARG 20 HE ARG 20 5.633 -1.050 5.231 105 HH11 ARG 20 HH11 ARG 20 4.677 0.900 2.390 106 HH12 ARG 20 HH12 ARG 20 3.816 2.033 3.334 107 HH21 ARG 20 HH21 ARG 20 4.402 0.500 6.431 108 HH22 ARG 20 HH22 ARG 20 3.636 1.793 5.632 109 H CYS 21 H CYS 21 6.620 -3.891 -0.776 110 HA CYS 21 HA CYS 21 7.853 -6.419 -0.960 111 HB2 CYS 21 HB2 CYS 21 6.089 -4.905 -2.875 112 HB3 CYS 21 HB3 CYS 21 6.805 -6.434 -3.318 113 H THR 22 H THR 22 8.793 -3.305 -2.266 114 HA THR 22 HA THR 22 10.123 -4.416 -4.501 115 HB THR 22 HB THR 22 9.166 -2.036 -4.323 116 HG1 THR 22 HG1 THR 22 11.854 -2.096 -5.234 117 HG21 THR 22 HG21 THR 22 10.730 -0.286 -3.544 118 HG22 THR 22 HG22 THR 22 11.838 -1.537 -2.979 119 HG23 THR 22 HG23 THR 22 10.253 -1.359 -2.229 120 H SER 23 H SER 23 10.927 -4.410 -1.275 121 HA SER 23 HA SER 23 13.798 -4.483 -1.849 122 HB2 SER 23 HB2 SER 23 12.383 -4.114 0.796 123 HB3 SER 23 HB3 SER 23 14.119 -3.988 0.508 124 HG SER 23 HG SER 23 13.522 -2.298 -1.053 125 H ALA 24 H ALA 24 11.457 -6.618 -1.938 126 HA ALA 24 HA ALA 24 13.046 -8.716 -0.668 127 HB1 ALA 24 HB1 ALA 24 11.411 -8.033 1.027 128 HB2 ALA 24 HB2 ALA 24 11.117 -9.680 0.461 129 HB3 ALA 24 HB3 ALA 24 10.106 -8.354 -0.113 130 H ARG 25 H ARG 25 9.964 -8.159 -2.346 131 HA ARG 25 HA ARG 25 10.685 -9.713 -4.594 132 HB2 ARG 25 HB2 ARG 25 10.097 -11.532 -3.003 133 HB3 ARG 25 HB3 ARG 25 8.550 -10.758 -2.710 134 HG2 ARG 25 HG2 ARG 25 8.229 -12.606 -4.213 135 HG3 ARG 25 HG3 ARG 25 7.970 -11.098 -5.080 136 HD2 ARG 25 HD2 ARG 25 10.204 -11.229 -6.026 137 HD3 ARG 25 HD3 ARG 25 10.510 -12.723 -5.133 138 HE ARG 25 HE ARG 25 8.218 -13.137 -6.559 139 HH11 ARG 25 HH11 ARG 25 11.589 -12.410 -7.392 140 HH12 ARG 25 HH12 ARG 25 11.540 -13.203 -8.889 141 HH21 ARG 25 HH21 ARG 25 8.148 -14.237 -8.617 142 HH22 ARG 25 HH22 ARG 25 9.543 -14.284 -9.592 143 H SER 26 H SER 26 9.938 -8.205 -6.001 144 HA SER 26 HA SER 26 7.983 -6.327 -5.473 145 HB2 SER 26 HB2 SER 26 8.697 -7.390 -8.212 146 HB3 SER 26 HB3 SER 26 8.165 -5.766 -7.780 147 HG SER 26 HG SER 26 10.135 -5.259 -7.352 148 H GLY 27 H GLY 27 7.721 -9.328 -7.395 149 HA2 GLY 27 HA2 GLY 27 5.510 -10.471 -6.569 150 HA3 GLY 27 HA3 GLY 27 4.825 -9.094 -7.431 151 H GLY 28 H GLY 28 6.536 -8.872 -9.523 152 HA2 GLY 28 HA2 GLY 28 7.515 -10.754 -11.043 153 HA3 GLY 28 HA3 GLY 28 5.816 -11.212 -11.102 154 H ALA 29 H ALA 29 4.677 -10.384 -12.692 155 HA ALA 29 HA ALA 29 5.694 -8.402 -14.457 156 HB1 ALA 29 HB1 ALA 29 3.459 -8.499 -15.494 157 HB2 ALA 29 HB2 ALA 29 2.870 -9.444 -14.127 158 HB3 ALA 29 HB3 ALA 29 4.097 -10.116 -15.202 159 H ALA 30 H ALA 30 3.298 -8.413 -11.934 160 HA ALA 30 HA ALA 30 3.375 -5.487 -11.882 161 HB1 ALA 30 HB1 ALA 30 1.194 -5.661 -10.732 162 HB2 ALA 30 HB2 ALA 30 1.273 -7.413 -10.884 163 HB3 ALA 30 HB3 ALA 30 1.148 -6.410 -12.329 164 H GLY 31 H GLY 31 3.981 -4.553 -9.916 165 HA2 GLY 31 HA2 GLY 31 4.204 -6.251 -7.586 166 HA3 GLY 31 HA3 GLY 31 5.732 -5.730 -8.276 Start of MODEL 15 1 HA ALA 1 HA ALA 1 2.423 -3.230 -6.554 2 HB1 ALA 1 HB1 ALA 1 1.629 -2.657 -8.797 3 HB2 ALA 1 HB2 ALA 1 2.340 -4.137 -9.435 4 HB3 ALA 1 HB3 ALA 1 3.382 -2.867 -8.794 5 H GLY 2 H GLY 2 0.106 -3.062 -6.810 6 HA2 GLY 2 HA2 GLY 2 -2.085 -3.927 -6.859 7 HA3 GLY 2 HA3 GLY 2 -1.413 -5.506 -7.275 8 H CYS 3 H CYS 3 -1.584 -3.186 -4.621 9 HA CYS 3 HA CYS 3 -1.271 -5.444 -2.788 10 HB2 CYS 3 HB2 CYS 3 -0.342 -2.602 -2.540 11 HB3 CYS 3 HB3 CYS 3 -0.157 -3.819 -1.283 12 H ASP 4 H ASP 4 -2.199 -4.922 -0.574 13 HA ASP 4 HA ASP 4 -4.482 -3.099 -0.560 14 HB2 ASP 4 HB2 ASP 4 -5.213 -5.489 -1.108 15 HB3 ASP 4 HB3 ASP 4 -4.516 -5.977 0.432 16 H ASP 5 H ASP 5 -5.275 -3.678 2.067 17 HA ASP 5 HA ASP 5 -3.143 -2.308 3.506 18 HB2 ASP 5 HB2 ASP 5 -4.694 -1.869 5.246 19 HB3 ASP 5 HB3 ASP 5 -5.683 -1.809 3.803 20 H LYS 6 H LYS 6 -4.505 -5.345 3.184 21 HA LYS 6 HA LYS 6 -3.587 -6.559 5.590 22 HB2 LYS 6 HB2 LYS 6 -4.361 -7.893 3.024 23 HB3 LYS 6 HB3 LYS 6 -4.449 -8.556 4.656 24 HG2 LYS 6 HG2 LYS 6 -6.103 -6.873 5.251 25 HG3 LYS 6 HG3 LYS 6 -6.027 -6.218 3.624 26 HD2 LYS 6 HD2 LYS 6 -6.544 -8.659 2.985 27 HD3 LYS 6 HD3 LYS 6 -7.233 -8.732 4.612 28 HE2 LYS 6 HE2 LYS 6 -8.008 -6.904 2.343 29 HE3 LYS 6 HE3 LYS 6 -9.030 -8.039 3.220 30 HZ1 LYS 6 HZ1 LYS 6 -9.511 -5.835 3.906 31 HZ2 LYS 6 HZ2 LYS 6 -7.906 -5.480 4.240 32 HZ3 LYS 6 HZ3 LYS 6 -8.750 -6.596 5.204 33 H CYS 7 H CYS 7 -2.148 -5.629 2.763 34 HA CYS 7 HA CYS 7 -0.121 -7.648 2.507 35 HB2 CYS 7 HB2 CYS 7 -1.071 -5.663 0.880 36 HB3 CYS 7 HB3 CYS 7 0.395 -4.936 1.499 37 H GLY 8 H GLY 8 -0.587 -4.556 4.156 38 HA2 GLY 8 HA2 GLY 8 0.744 -3.852 5.986 39 HA3 GLY 8 HA3 GLY 8 2.060 -4.867 5.386 40 H CYS 9 H CYS 9 0.690 -3.541 2.834 41 HA CYS 9 HA CYS 9 2.642 -1.431 2.550 42 HB2 CYS 9 HB2 CYS 9 0.903 -3.001 0.717 43 HB3 CYS 9 HB3 CYS 9 1.562 -1.477 0.205 44 H ALA 10 H ALA 10 1.694 0.503 1.284 45 HA ALA 10 HA ALA 10 -0.479 1.656 2.658 46 HB1 ALA 10 HB1 ALA 10 1.007 2.478 0.176 47 HB2 ALA 10 HB2 ALA 10 1.398 2.960 1.827 48 HB3 ALA 10 HB3 ALA 10 -0.103 3.514 1.074 49 H VAL 11 H VAL 11 -2.349 2.600 1.467 50 HA VAL 11 HA VAL 11 -3.262 0.951 -0.763 51 HB VAL 11 HB VAL 11 -4.994 1.621 1.624 52 HG11 VAL 11 HG11 VAL 11 -5.513 -0.191 -0.727 53 HG12 VAL 11 HG12 VAL 11 -6.221 1.401 -0.469 54 HG13 VAL 11 HG13 VAL 11 -6.612 0.074 0.629 55 HG21 VAL 11 HG21 VAL 11 -3.749 -1.044 0.927 56 HG22 VAL 11 HG22 VAL 11 -4.897 -0.767 2.221 57 HG23 VAL 11 HG23 VAL 11 -3.305 -0.032 2.282 58 HA PRO 12 HA PRO 12 -3.691 1.306 -2.645 59 HB2 PRO 12 HB2 PRO 12 -2.885 3.321 -4.582 60 HB3 PRO 12 HB3 PRO 12 -4.201 2.149 -4.697 61 HG2 PRO 12 HG2 PRO 12 -4.634 4.814 -4.448 62 HG3 PRO 12 HG3 PRO 12 -5.745 3.595 -3.800 63 HD2 PRO 12 HD2 PRO 12 -3.633 5.175 -2.366 64 HD3 PRO 12 HD3 PRO 12 -5.299 4.818 -1.871 65 H CYS 13 H CYS 13 -1.675 0.526 -3.281 66 HA CYS 13 HA CYS 13 0.453 1.788 -1.864 67 HB2 CYS 13 HB2 CYS 13 0.154 -0.613 -1.741 68 HB3 CYS 13 HB3 CYS 13 0.476 -0.781 -3.476 69 HA PRO 14 HA PRO 14 1.446 4.133 -5.465 70 HB2 PRO 14 HB2 PRO 14 3.156 5.814 -4.375 71 HB3 PRO 14 HB3 PRO 14 1.481 5.761 -3.810 72 HG2 PRO 14 HG2 PRO 14 3.932 4.559 -2.564 73 HG3 PRO 14 HG3 PRO 14 2.599 5.431 -1.787 74 HD2 PRO 14 HD2 PRO 14 2.817 2.651 -1.905 75 HD3 PRO 14 HD3 PRO 14 1.311 3.573 -1.649 76 H GLY 15 H GLY 15 3.470 1.878 -4.255 77 HA2 GLY 15 HA2 GLY 15 5.285 0.813 -5.352 78 HA3 GLY 15 HA3 GLY 15 5.358 2.190 -6.447 79 H GLY 16 H GLY 16 7.641 2.199 -6.125 80 HA2 GLY 16 HA2 GLY 16 9.572 3.017 -5.214 81 HA3 GLY 16 HA3 GLY 16 8.539 4.183 -4.416 82 H THR 17 H THR 17 9.337 4.313 -2.421 83 HA THR 17 HA THR 17 10.336 2.014 -1.016 84 HB THR 17 HB THR 17 9.857 4.787 0.116 85 HG1 THR 17 HG1 THR 17 11.140 5.320 -1.519 86 HG21 THR 17 HG21 THR 17 10.520 3.015 1.697 87 HG22 THR 17 HG22 THR 17 11.807 4.206 1.515 88 HG23 THR 17 HG23 THR 17 11.926 2.648 0.700 89 H GLY 18 H GLY 18 7.414 3.799 -1.305 90 HA2 GLY 18 HA2 GLY 18 6.131 3.085 1.113 91 HA3 GLY 18 HA3 GLY 18 5.331 3.608 -0.367 92 H CYS 19 H CYS 19 6.795 1.370 -1.765 93 HA CYS 19 HA CYS 19 4.795 -0.583 -1.135 94 HB2 CYS 19 HB2 CYS 19 5.282 -0.192 -3.522 95 HB3 CYS 19 HB3 CYS 19 6.926 -0.793 -3.273 96 H ARG 20 H ARG 20 5.382 -1.437 0.813 97 HA ARG 20 HA ARG 20 7.916 -2.620 1.194 98 HB2 ARG 20 HB2 ARG 20 5.304 -3.013 2.670 99 HB3 ARG 20 HB3 ARG 20 6.722 -3.971 3.056 100 HG2 ARG 20 HG2 ARG 20 6.620 -2.203 4.632 101 HG3 ARG 20 HG3 ARG 20 7.922 -1.816 3.508 102 HD2 ARG 20 HD2 ARG 20 6.327 -0.344 2.287 103 HD3 ARG 20 HD3 ARG 20 5.146 -0.674 3.554 104 HE ARG 20 HE ARG 20 7.489 0.172 4.772 105 HH11 ARG 20 HH11 ARG 20 4.954 1.596 2.723 106 HH12 ARG 20 HH12 ARG 20 5.213 3.175 3.272 107 HH21 ARG 20 HH21 ARG 20 7.809 2.374 5.513 108 HH22 ARG 20 HH22 ARG 20 6.830 3.615 4.882 109 H CYS 21 H CYS 21 7.704 -3.336 -0.924 110 HA CYS 21 HA CYS 21 7.526 -6.216 -0.979 111 HB2 CYS 21 HB2 CYS 21 5.747 -4.494 -2.565 112 HB3 CYS 21 HB3 CYS 21 6.474 -5.857 -3.411 113 H THR 22 H THR 22 8.797 -3.172 -2.242 114 HA THR 22 HA THR 22 9.993 -4.243 -4.544 115 HB THR 22 HB THR 22 11.341 -2.052 -4.378 116 HG1 THR 22 HG1 THR 22 9.723 -0.679 -2.881 117 HG21 THR 22 HG21 THR 22 8.318 -1.968 -4.482 118 HG22 THR 22 HG22 THR 22 9.397 -2.285 -5.840 119 HG23 THR 22 HG23 THR 22 9.386 -0.697 -5.075 120 H SER 23 H SER 23 11.276 -3.362 -1.386 121 HA SER 23 HA SER 23 13.804 -4.654 -1.981 122 HB2 SER 23 HB2 SER 23 12.884 -3.473 0.638 123 HB3 SER 23 HB3 SER 23 14.540 -3.712 0.078 124 HG SER 23 HG SER 23 14.055 -2.189 -1.607 125 H ALA 24 H ALA 24 10.806 -5.223 -0.371 126 HA ALA 24 HA ALA 24 11.592 -7.292 1.375 127 HB1 ALA 24 HB1 ALA 24 9.463 -6.033 1.590 128 HB2 ALA 24 HB2 ALA 24 9.255 -7.784 1.642 129 HB3 ALA 24 HB3 ALA 24 8.862 -6.899 0.173 130 H ARG 25 H ARG 25 10.332 -7.368 -1.949 131 HA ARG 25 HA ARG 25 10.781 -10.238 -2.022 132 HB2 ARG 25 HB2 ARG 25 9.550 -8.300 -3.985 133 HB3 ARG 25 HB3 ARG 25 10.078 -9.896 -4.480 134 HG2 ARG 25 HG2 ARG 25 7.694 -9.848 -4.079 135 HG3 ARG 25 HG3 ARG 25 8.516 -10.917 -2.951 136 HD2 ARG 25 HD2 ARG 25 8.380 -9.225 -1.231 137 HD3 ARG 25 HD3 ARG 25 7.615 -8.114 -2.367 138 HE ARG 25 HE ARG 25 5.937 -10.070 -2.548 139 HH11 ARG 25 HH11 ARG 25 7.481 -9.007 0.458 140 HH12 ARG 25 HH12 ARG 25 6.130 -9.351 1.437 141 HH21 ARG 25 HH21 ARG 25 4.094 -10.513 -1.189 142 HH22 ARG 25 HH22 ARG 25 4.177 -10.203 0.480 143 H SER 26 H SER 26 12.853 -10.704 -2.154 144 HA SER 26 HA SER 26 14.592 -8.977 -3.643 145 HB2 SER 26 HB2 SER 26 15.201 -11.490 -2.081 146 HB3 SER 26 HB3 SER 26 16.355 -10.273 -2.637 147 HG SER 26 HG SER 26 14.986 -8.763 -1.373 148 H GLY 27 H GLY 27 14.954 -9.319 -5.723 149 HA2 GLY 27 HA2 GLY 27 15.995 -11.124 -7.182 150 HA3 GLY 27 HA3 GLY 27 14.546 -12.035 -6.790 151 H GLY 28 H GLY 28 14.945 -8.614 -7.602 152 HA2 GLY 28 HA2 GLY 28 14.196 -7.353 -9.347 153 HA3 GLY 28 HA3 GLY 28 14.144 -8.830 -10.287 154 H ALA 29 H ALA 29 12.309 -7.766 -7.434 155 HA ALA 29 HA ALA 29 9.875 -7.940 -9.050 156 HB1 ALA 29 HB1 ALA 29 10.069 -10.028 -7.783 157 HB2 ALA 29 HB2 ALA 29 8.725 -9.050 -7.179 158 HB3 ALA 29 HB3 ALA 29 10.253 -9.099 -6.297 159 H ALA 30 H ALA 30 8.244 -6.524 -8.420 160 HA ALA 30 HA ALA 30 9.132 -4.396 -6.602 161 HB1 ALA 30 HB1 ALA 30 7.663 -2.897 -7.848 162 HB2 ALA 30 HB2 ALA 30 7.131 -4.243 -8.857 163 HB3 ALA 30 HB3 ALA 30 8.807 -3.695 -8.928 164 H GLY 31 H GLY 31 6.303 -6.267 -7.604 165 HA2 GLY 31 HA2 GLY 31 4.584 -7.105 -6.313 166 HA3 GLY 31 HA3 GLY 31 5.319 -6.395 -4.886 Start of MODEL 16 1 HA ALA 1 HA ALA 1 0.826 -3.760 -9.890 2 HB1 ALA 1 HB1 ALA 1 -0.767 -3.295 -11.665 3 HB2 ALA 1 HB2 ALA 1 -1.374 -4.947 -11.565 4 HB3 ALA 1 HB3 ALA 1 0.269 -4.650 -12.122 5 H GLY 2 H GLY 2 0.161 -2.849 -8.079 6 HA2 GLY 2 HA2 GLY 2 -1.529 -1.614 -6.980 7 HA3 GLY 2 HA3 GLY 2 -2.722 -2.747 -7.608 8 H CYS 3 H CYS 3 -1.672 -1.771 -4.855 9 HA CYS 3 HA CYS 3 -1.592 -4.438 -3.715 10 HB2 CYS 3 HB2 CYS 3 -0.211 -1.933 -2.823 11 HB3 CYS 3 HB3 CYS 3 -0.329 -3.348 -1.797 12 H ASP 4 H ASP 4 -2.518 -4.509 -1.435 13 HA ASP 4 HA ASP 4 -4.550 -2.465 -0.915 14 HB2 ASP 4 HB2 ASP 4 -6.169 -4.178 -0.345 15 HB3 ASP 4 HB3 ASP 4 -5.572 -4.528 -1.960 16 H ASP 5 H ASP 5 -5.493 -3.366 1.482 17 HA ASP 5 HA ASP 5 -3.300 -2.656 3.168 18 HB2 ASP 5 HB2 ASP 5 -5.555 -1.920 3.769 19 HB3 ASP 5 HB3 ASP 5 -6.044 -3.595 4.016 20 H LYS 6 H LYS 6 -4.774 -5.716 2.342 21 HA LYS 6 HA LYS 6 -3.565 -7.023 4.602 22 HB2 LYS 6 HB2 LYS 6 -4.926 -8.171 2.168 23 HB3 LYS 6 HB3 LYS 6 -4.337 -9.135 3.513 24 HG2 LYS 6 HG2 LYS 6 -6.551 -7.083 3.564 25 HG3 LYS 6 HG3 LYS 6 -6.710 -8.828 3.753 26 HD2 LYS 6 HD2 LYS 6 -5.347 -6.918 5.666 27 HD3 LYS 6 HD3 LYS 6 -6.886 -7.728 5.905 28 HE2 LYS 6 HE2 LYS 6 -5.796 -9.890 5.960 29 HE3 LYS 6 HE3 LYS 6 -4.243 -9.149 5.595 30 HZ1 LYS 6 HZ1 LYS 6 -4.392 -7.939 7.696 31 HZ2 LYS 6 HZ2 LYS 6 -4.434 -9.613 7.928 32 HZ3 LYS 6 HZ3 LYS 6 -5.852 -8.720 8.048 33 H CYS 7 H CYS 7 -2.412 -5.783 1.914 34 HA CYS 7 HA CYS 7 -0.394 -7.730 1.288 35 HB2 CYS 7 HB2 CYS 7 -1.360 -5.712 -0.117 36 HB3 CYS 7 HB3 CYS 7 -0.064 -4.849 0.702 37 H GLY 8 H GLY 8 -0.922 -5.049 3.453 38 HA2 GLY 8 HA2 GLY 8 0.401 -4.602 5.327 39 HA3 GLY 8 HA3 GLY 8 1.733 -5.476 4.559 40 H CYS 9 H CYS 9 0.120 -3.617 2.386 41 HA CYS 9 HA CYS 9 2.236 -1.639 2.436 42 HB2 CYS 9 HB2 CYS 9 0.584 -2.871 0.314 43 HB3 CYS 9 HB3 CYS 9 1.308 -1.334 0.036 44 H ALA 10 H ALA 10 1.598 0.434 1.689 45 HA ALA 10 HA ALA 10 -0.689 1.587 2.839 46 HB1 ALA 10 HB1 ALA 10 1.099 2.582 0.624 47 HB2 ALA 10 HB2 ALA 10 1.337 2.865 2.348 48 HB3 ALA 10 HB3 ALA 10 -0.048 3.582 1.514 49 H VAL 11 H VAL 11 -2.506 2.526 1.728 50 HA VAL 11 HA VAL 11 -3.158 1.287 -0.852 51 HB VAL 11 HB VAL 11 -5.181 1.600 1.356 52 HG11 VAL 11 HG11 VAL 11 -5.192 -0.083 -1.124 53 HG12 VAL 11 HG12 VAL 11 -6.100 1.401 -0.845 54 HG13 VAL 11 HG13 VAL 11 -6.467 -0.050 0.094 55 HG21 VAL 11 HG21 VAL 11 -4.964 -0.812 1.882 56 HG22 VAL 11 HG22 VAL 11 -3.498 0.071 2.266 57 HG23 VAL 11 HG23 VAL 11 -3.567 -0.917 0.827 58 HA PRO 12 HA PRO 12 -3.307 2.071 -2.710 59 HB2 PRO 12 HB2 PRO 12 -2.408 3.949 -4.411 60 HB3 PRO 12 HB3 PRO 12 -4.126 3.548 -4.288 61 HG2 PRO 12 HG2 PRO 12 -2.635 5.829 -3.055 62 HG3 PRO 12 HG3 PRO 12 -4.199 5.843 -3.893 63 HD2 PRO 12 HD2 PRO 12 -3.986 5.822 -1.191 64 HD3 PRO 12 HD3 PRO 12 -5.334 5.054 -2.051 65 H CYS 13 H CYS 13 -1.216 1.601 -3.433 66 HA CYS 13 HA CYS 13 0.878 2.570 -1.665 67 HB2 CYS 13 HB2 CYS 13 0.383 0.176 -1.645 68 HB3 CYS 13 HB3 CYS 13 0.671 0.061 -3.378 69 HA PRO 14 HA PRO 14 2.614 4.860 -5.047 70 HB2 PRO 14 HB2 PRO 14 5.288 4.747 -4.358 71 HB3 PRO 14 HB3 PRO 14 4.113 5.885 -3.690 72 HG2 PRO 14 HG2 PRO 14 5.150 3.336 -2.546 73 HG3 PRO 14 HG3 PRO 14 4.777 4.860 -1.726 74 HD2 PRO 14 HD2 PRO 14 3.142 2.720 -1.628 75 HD3 PRO 14 HD3 PRO 14 2.517 4.382 -1.606 76 H GLY 15 H GLY 15 4.326 1.881 -4.204 77 HA2 GLY 15 HA2 GLY 15 4.211 0.173 -5.979 78 HA3 GLY 15 HA3 GLY 15 4.699 1.446 -7.097 79 H GLY 16 H GLY 16 6.788 2.586 -5.621 80 HA2 GLY 16 HA2 GLY 16 8.614 0.276 -5.476 81 HA3 GLY 16 HA3 GLY 16 9.058 1.805 -6.208 82 H THR 17 H THR 17 8.831 3.726 -4.686 83 HA THR 17 HA THR 17 10.742 3.634 -2.746 84 HB THR 17 HB THR 17 8.386 5.519 -2.817 85 HG1 THR 17 HG1 THR 17 9.623 6.697 -4.257 86 HG21 THR 17 HG21 THR 17 11.222 5.882 -1.819 87 HG22 THR 17 HG22 THR 17 9.796 5.705 -0.802 88 HG23 THR 17 HG23 THR 17 9.972 7.126 -1.831 89 H GLY 18 H GLY 18 7.256 3.807 -2.141 90 HA2 GLY 18 HA2 GLY 18 7.767 2.806 0.568 91 HA3 GLY 18 HA3 GLY 18 6.361 3.761 0.092 92 H CYS 19 H CYS 19 7.896 0.904 -1.331 93 HA CYS 19 HA CYS 19 5.286 -0.381 -1.134 94 HB2 CYS 19 HB2 CYS 19 6.061 -0.060 -3.424 95 HB3 CYS 19 HB3 CYS 19 7.526 -0.943 -3.031 96 H ARG 20 H ARG 20 5.232 -1.477 0.608 97 HA ARG 20 HA ARG 20 7.408 -3.065 1.424 98 HB2 ARG 20 HB2 ARG 20 4.531 -2.949 2.359 99 HB3 ARG 20 HB3 ARG 20 5.784 -3.924 3.130 100 HG2 ARG 20 HG2 ARG 20 7.059 -1.961 3.683 101 HG3 ARG 20 HG3 ARG 20 5.937 -0.936 2.791 102 HD2 ARG 20 HD2 ARG 20 4.180 -1.454 4.337 103 HD3 ARG 20 HD3 ARG 20 5.224 -2.584 5.213 104 HE ARG 20 HE ARG 20 6.447 -0.069 5.105 105 HH11 ARG 20 HH11 ARG 20 3.623 -1.554 6.577 106 HH12 ARG 20 HH12 ARG 20 3.634 -0.594 7.980 107 HH21 ARG 20 HH21 ARG 20 6.545 1.242 7.050 108 HH22 ARG 20 HH22 ARG 20 5.333 1.068 8.245 109 H CYS 21 H CYS 21 7.488 -3.729 -0.664 110 HA CYS 21 HA CYS 21 7.026 -6.565 -0.780 111 HB2 CYS 21 HB2 CYS 21 5.921 -4.685 -2.804 112 HB3 CYS 21 HB3 CYS 21 6.516 -6.240 -3.353 113 H THR 22 H THR 22 8.396 -3.579 -2.226 114 HA THR 22 HA THR 22 10.664 -5.032 -3.180 115 HB THR 22 HB THR 22 11.296 -2.636 -3.821 116 HG1 THR 22 HG1 THR 22 9.867 -1.080 -3.372 117 HG21 THR 22 HG21 THR 22 8.718 -3.793 -4.912 118 HG22 THR 22 HG22 THR 22 10.342 -4.239 -5.439 119 HG23 THR 22 HG23 THR 22 9.734 -2.608 -5.733 120 H SER 23 H SER 23 9.672 -2.714 -0.707 121 HA SER 23 HA SER 23 12.325 -2.756 0.495 122 HB2 SER 23 HB2 SER 23 9.909 -1.037 1.064 123 HB3 SER 23 HB3 SER 23 11.521 -0.822 1.753 124 HG SER 23 HG SER 23 11.329 -0.958 -1.021 125 H ALA 24 H ALA 24 10.117 -4.913 0.618 126 HA ALA 24 HA ALA 24 10.527 -5.617 3.355 127 HB1 ALA 24 HB1 ALA 24 8.507 -4.250 3.609 128 HB2 ALA 24 HB2 ALA 24 8.121 -5.956 3.852 129 HB3 ALA 24 HB3 ALA 24 7.719 -5.166 2.326 130 H ARG 25 H ARG 25 10.117 -7.897 3.629 131 HA ARG 25 HA ARG 25 10.057 -9.140 1.018 132 HB2 ARG 25 HB2 ARG 25 11.008 -11.206 2.062 133 HB3 ARG 25 HB3 ARG 25 12.043 -9.798 2.121 134 HG2 ARG 25 HG2 ARG 25 11.489 -9.470 4.469 135 HG3 ARG 25 HG3 ARG 25 10.399 -10.860 4.416 136 HD2 ARG 25 HD2 ARG 25 12.584 -11.458 5.378 137 HD3 ARG 25 HD3 ARG 25 12.269 -12.331 3.879 138 HE ARG 25 HE ARG 25 13.645 -10.071 3.156 139 HH11 ARG 25 HH11 ARG 25 14.332 -12.950 5.097 140 HH12 ARG 25 HH12 ARG 25 16.024 -12.849 4.889 141 HH21 ARG 25 HH21 ARG 25 15.973 -9.953 2.859 142 HH22 ARG 25 HH22 ARG 25 16.970 -11.107 3.604 143 H SER 26 H SER 26 7.915 -8.835 0.781 144 HA SER 26 HA SER 26 6.178 -10.733 2.156 145 HB2 SER 26 HB2 SER 26 5.540 -8.634 0.061 146 HB3 SER 26 HB3 SER 26 4.375 -9.539 1.032 147 HG SER 26 HG SER 26 5.716 -8.579 2.851 148 H GLY 27 H GLY 27 5.371 -12.534 1.067 149 HA2 GLY 27 HA2 GLY 27 6.856 -13.294 -1.304 150 HA3 GLY 27 HA3 GLY 27 5.774 -14.321 -0.374 151 H GLY 28 H GLY 28 3.596 -14.339 -0.831 152 HA2 GLY 28 HA2 GLY 28 2.942 -13.589 -3.536 153 HA3 GLY 28 HA3 GLY 28 1.952 -14.538 -2.431 154 H ALA 29 H ALA 29 3.233 -11.322 -2.837 155 HA ALA 29 HA ALA 29 0.614 -10.159 -2.245 156 HB1 ALA 29 HB1 ALA 29 3.133 -9.444 -0.743 157 HB2 ALA 29 HB2 ALA 29 1.742 -10.305 -0.079 158 HB3 ALA 29 HB3 ALA 29 1.581 -8.621 -0.589 159 H ALA 30 H ALA 30 2.761 -10.458 -4.425 160 HA ALA 30 HA ALA 30 3.284 -7.638 -4.933 161 HB1 ALA 30 HB1 ALA 30 4.527 -10.101 -6.134 162 HB2 ALA 30 HB2 ALA 30 5.255 -9.075 -4.897 163 HB3 ALA 30 HB3 ALA 30 4.980 -8.444 -6.520 164 H GLY 31 H GLY 31 3.065 -6.958 -7.209 165 HA2 GLY 31 HA2 GLY 31 1.984 -7.874 -9.345 166 HA3 GLY 31 HA3 GLY 31 0.585 -8.036 -8.282 Start of MODEL 17 1 HA ALA 1 HA ALA 1 1.082 -8.183 -7.151 2 HB1 ALA 1 HB1 ALA 1 0.441 -8.586 -9.492 3 HB2 ALA 1 HB2 ALA 1 -0.481 -10.005 -9.002 4 HB3 ALA 1 HB3 ALA 1 1.276 -9.989 -8.821 5 H GLY 2 H GLY 2 0.037 -6.466 -6.590 6 HA2 GLY 2 HA2 GLY 2 -1.839 -4.986 -6.956 7 HA3 GLY 2 HA3 GLY 2 -2.887 -6.408 -6.874 8 H CYS 3 H CYS 3 -1.135 -4.118 -5.118 9 HA CYS 3 HA CYS 3 -1.199 -5.544 -2.635 10 HB2 CYS 3 HB2 CYS 3 -0.440 -2.700 -3.207 11 HB3 CYS 3 HB3 CYS 3 -0.170 -3.575 -1.700 12 H ASP 4 H ASP 4 -2.239 -4.930 -0.792 13 HA ASP 4 HA ASP 4 -4.384 -2.958 -0.867 14 HB2 ASP 4 HB2 ASP 4 -5.285 -5.312 -1.285 15 HB3 ASP 4 HB3 ASP 4 -4.585 -5.771 0.264 16 H ASP 5 H ASP 5 -5.144 -3.279 1.735 17 HA ASP 5 HA ASP 5 -2.806 -2.346 3.199 18 HB2 ASP 5 HB2 ASP 5 -4.941 -1.120 3.454 19 HB3 ASP 5 HB3 ASP 5 -5.707 -2.587 4.053 20 H LYS 6 H LYS 6 -4.883 -5.050 2.863 21 HA LYS 6 HA LYS 6 -3.953 -6.524 5.128 22 HB2 LYS 6 HB2 LYS 6 -5.196 -7.478 2.542 23 HB3 LYS 6 HB3 LYS 6 -4.944 -8.485 3.956 24 HG2 LYS 6 HG2 LYS 6 -6.731 -6.057 3.820 25 HG3 LYS 6 HG3 LYS 6 -7.261 -7.734 3.731 26 HD2 LYS 6 HD2 LYS 6 -5.838 -6.487 6.097 27 HD3 LYS 6 HD3 LYS 6 -7.577 -6.722 5.980 28 HE2 LYS 6 HE2 LYS 6 -5.501 -8.930 5.938 29 HE3 LYS 6 HE3 LYS 6 -6.484 -8.474 7.321 30 HZ1 LYS 6 HZ1 LYS 6 -7.543 -9.536 4.747 31 HZ2 LYS 6 HZ2 LYS 6 -8.465 -9.101 6.063 32 HZ3 LYS 6 HZ3 LYS 6 -7.403 -10.393 6.182 33 H CYS 7 H CYS 7 -2.523 -5.559 2.311 34 HA CYS 7 HA CYS 7 -0.676 -7.786 2.045 35 HB2 CYS 7 HB2 CYS 7 -1.478 -6.197 0.138 36 HB3 CYS 7 HB3 CYS 7 -0.284 -5.072 0.783 37 H GLY 8 H GLY 8 -1.008 -4.744 3.714 38 HA2 GLY 8 HA2 GLY 8 0.312 -4.156 5.561 39 HA3 GLY 8 HA3 GLY 8 1.596 -5.218 4.974 40 H CYS 9 H CYS 9 0.284 -3.589 2.490 41 HA CYS 9 HA CYS 9 2.461 -1.684 2.424 42 HB2 CYS 9 HB2 CYS 9 0.721 -3.005 0.413 43 HB3 CYS 9 HB3 CYS 9 1.488 -1.482 0.038 44 H ALA 10 H ALA 10 1.632 0.315 0.985 45 HA ALA 10 HA ALA 10 -0.389 1.580 2.562 46 HB1 ALA 10 HB1 ALA 10 1.631 2.776 1.962 47 HB2 ALA 10 HB2 ALA 10 0.231 3.532 1.186 48 HB3 ALA 10 HB3 ALA 10 1.310 2.487 0.254 49 H VAL 11 H VAL 11 -2.198 2.658 1.457 50 HA VAL 11 HA VAL 11 -2.958 1.473 -1.089 51 HB VAL 11 HB VAL 11 -4.829 1.655 1.299 52 HG11 VAL 11 HG11 VAL 11 -5.284 0.515 -1.452 53 HG12 VAL 11 HG12 VAL 11 -5.982 2.002 -0.812 54 HG13 VAL 11 HG13 VAL 11 -6.427 0.444 -0.111 55 HG21 VAL 11 HG21 VAL 11 -3.239 -0.203 1.607 56 HG22 VAL 11 HG22 VAL 11 -3.621 -0.798 0.012 57 HG23 VAL 11 HG23 VAL 11 -4.846 -0.814 1.264 58 HA PRO 12 HA PRO 12 -3.352 2.151 -2.937 59 HB2 PRO 12 HB2 PRO 12 -2.356 3.937 -4.706 60 HB3 PRO 12 HB3 PRO 12 -4.093 3.673 -4.514 61 HG2 PRO 12 HG2 PRO 12 -2.374 5.841 -3.382 62 HG3 PRO 12 HG3 PRO 12 -3.978 5.965 -4.129 63 HD2 PRO 12 HD2 PRO 12 -3.614 5.971 -1.449 64 HD3 PRO 12 HD3 PRO 12 -5.060 5.286 -2.215 65 H CYS 13 H CYS 13 -1.372 1.272 -3.552 66 HA CYS 13 HA CYS 13 0.840 2.135 -1.934 67 HB2 CYS 13 HB2 CYS 13 0.124 -0.296 -2.210 68 HB3 CYS 13 HB3 CYS 13 0.820 -0.233 -3.846 69 HA PRO 14 HA PRO 14 2.359 4.530 -5.293 70 HB2 PRO 14 HB2 PRO 14 4.617 5.452 -4.270 71 HB3 PRO 14 HB3 PRO 14 3.048 5.883 -3.592 72 HG2 PRO 14 HG2 PRO 14 5.006 3.831 -2.616 73 HG3 PRO 14 HG3 PRO 14 4.099 5.035 -1.682 74 HD2 PRO 14 HD2 PRO 14 3.338 2.405 -1.940 75 HD3 PRO 14 HD3 PRO 14 2.211 3.740 -1.625 76 H GLY 15 H GLY 15 4.210 1.818 -4.229 77 HA2 GLY 15 HA2 GLY 15 5.265 0.371 -5.857 78 HA3 GLY 15 HA3 GLY 15 5.558 1.782 -6.860 79 H GLY 16 H GLY 16 6.791 3.482 -5.016 80 HA2 GLY 16 HA2 GLY 16 9.342 2.118 -4.758 81 HA3 GLY 16 HA3 GLY 16 9.057 3.847 -4.594 82 H THR 17 H THR 17 9.263 4.591 -2.619 83 HA THR 17 HA THR 17 9.511 2.926 -0.340 84 HB THR 17 HB THR 17 8.812 5.789 -0.337 85 HG1 THR 17 HG1 THR 17 11.242 4.529 -1.171 86 HG21 THR 17 HG21 THR 17 10.696 4.138 1.361 87 HG22 THR 17 HG22 THR 17 9.100 4.725 1.830 88 HG23 THR 17 HG23 THR 17 10.418 5.865 1.580 89 H GLY 18 H GLY 18 7.787 1.995 0.565 90 HA2 GLY 18 HA2 GLY 18 5.656 2.535 1.745 91 HA3 GLY 18 HA3 GLY 18 5.147 3.205 0.187 92 H CYS 19 H CYS 19 6.850 1.171 -1.119 93 HA CYS 19 HA CYS 19 4.841 -0.938 -1.007 94 HB2 CYS 19 HB2 CYS 19 5.509 -0.171 -3.281 95 HB3 CYS 19 HB3 CYS 19 7.128 -0.809 -2.972 96 H ARG 20 H ARG 20 5.316 -1.933 0.845 97 HA ARG 20 HA ARG 20 7.899 -3.032 1.235 98 HB2 ARG 20 HB2 ARG 20 5.291 -3.588 2.675 99 HB3 ARG 20 HB3 ARG 20 6.803 -4.361 3.118 100 HG2 ARG 20 HG2 ARG 20 6.475 -2.622 4.673 101 HG3 ARG 20 HG3 ARG 20 7.685 -2.007 3.556 102 HD2 ARG 20 HD2 ARG 20 5.949 -0.697 2.398 103 HD3 ARG 20 HD3 ARG 20 4.729 -1.353 3.482 104 HE ARG 20 HE ARG 20 6.758 -0.157 4.993 105 HH11 ARG 20 HH11 ARG 20 4.124 0.886 2.834 106 HH12 ARG 20 HH12 ARG 20 3.901 2.382 3.653 107 HH21 ARG 20 HH21 ARG 20 6.409 1.895 6.042 108 HH22 ARG 20 HH22 ARG 20 5.209 2.958 5.474 109 H CYS 21 H CYS 21 7.683 -3.691 -0.948 110 HA CYS 21 HA CYS 21 7.663 -6.589 -1.102 111 HB2 CYS 21 HB2 CYS 21 5.932 -4.880 -2.810 112 HB3 CYS 21 HB3 CYS 21 6.562 -6.387 -3.448 113 H THR 22 H THR 22 8.606 -3.392 -2.357 114 HA THR 22 HA THR 22 10.174 -4.583 -4.415 115 HB THR 22 HB THR 22 10.882 -2.112 -4.682 116 HG1 THR 22 HG1 THR 22 9.071 -0.780 -3.751 117 HG21 THR 22 HG21 THR 22 8.780 -1.573 -5.853 118 HG22 THR 22 HG22 THR 22 7.977 -2.898 -5.013 119 HG23 THR 22 HG23 THR 22 9.267 -3.239 -6.164 120 H SER 23 H SER 23 10.839 -2.540 -1.581 121 HA SER 23 HA SER 23 13.524 -3.677 -1.520 122 HB2 SER 23 HB2 SER 23 12.392 -1.266 -0.078 123 HB3 SER 23 HB3 SER 23 14.083 -1.767 -0.091 124 HG SER 23 HG SER 23 14.006 -1.546 -2.390 125 H ALA 24 H ALA 24 10.994 -4.956 -0.605 126 HA ALA 24 HA ALA 24 11.923 -5.658 2.048 127 HB1 ALA 24 HB1 ALA 24 10.075 -4.098 2.409 128 HB2 ALA 24 HB2 ALA 24 9.609 -5.732 2.892 129 HB3 ALA 24 HB3 ALA 24 9.041 -5.068 1.361 130 H ARG 25 H ARG 25 11.112 -7.771 2.683 131 HA ARG 25 HA ARG 25 11.144 -9.493 0.356 132 HB2 ARG 25 HB2 ARG 25 11.373 -10.159 3.284 133 HB3 ARG 25 HB3 ARG 25 11.506 -11.324 1.976 134 HG2 ARG 25 HG2 ARG 25 13.466 -10.104 1.130 135 HG3 ARG 25 HG3 ARG 25 13.345 -9.005 2.505 136 HD2 ARG 25 HD2 ARG 25 13.785 -11.986 2.650 137 HD3 ARG 25 HD3 ARG 25 15.017 -10.751 2.871 138 HE ARG 25 HE ARG 25 12.798 -10.470 4.659 139 HH11 ARG 25 HH11 ARG 25 15.923 -12.065 4.179 140 HH12 ARG 25 HH12 ARG 25 16.145 -12.388 5.841 141 HH21 ARG 25 HH21 ARG 25 13.138 -10.925 6.926 142 HH22 ARG 25 HH22 ARG 25 14.562 -11.742 7.410 143 H SER 26 H SER 26 9.414 -10.352 -0.457 144 HA SER 26 HA SER 26 7.180 -11.033 1.268 145 HB2 SER 26 HB2 SER 26 6.635 -8.869 0.121 146 HB3 SER 26 HB3 SER 26 6.950 -9.635 -1.431 147 HG SER 26 HG SER 26 4.735 -9.675 0.118 148 H GLY 27 H GLY 27 6.634 -13.109 0.904 149 HA2 GLY 27 HA2 GLY 27 6.718 -14.302 -1.648 150 HA3 GLY 27 HA3 GLY 27 8.072 -14.828 -0.647 151 H GLY 28 H GLY 28 5.606 -16.193 -1.623 152 HA2 GLY 28 HA2 GLY 28 5.067 -18.122 -0.018 153 HA3 GLY 28 HA3 GLY 28 4.341 -16.833 0.941 154 H ALA 29 H ALA 29 3.282 -15.279 -1.032 155 HA ALA 29 HA ALA 29 1.476 -16.990 -2.559 156 HB1 ALA 29 HB1 ALA 29 0.621 -14.712 -0.756 157 HB2 ALA 29 HB2 ALA 29 0.280 -16.421 -0.491 158 HB3 ALA 29 HB3 ALA 29 -0.434 -15.583 -1.868 159 H ALA 30 H ALA 30 0.594 -15.839 -4.390 160 HA ALA 30 HA ALA 30 2.382 -13.769 -5.296 161 HB1 ALA 30 HB1 ALA 30 1.705 -15.560 -6.847 162 HB2 ALA 30 HB2 ALA 30 1.201 -13.973 -7.429 163 HB3 ALA 30 HB3 ALA 30 0.022 -15.052 -6.686 164 H GLY 31 H GLY 31 1.985 -11.878 -4.380 165 HA2 GLY 31 HA2 GLY 31 -0.804 -11.038 -4.152 166 HA3 GLY 31 HA3 GLY 31 0.507 -10.424 -3.155 Start of MODEL 18 1 HA ALA 1 HA ALA 1 1.491 -6.331 -5.720 2 HB1 ALA 1 HB1 ALA 1 0.941 -8.301 -7.956 3 HB2 ALA 1 HB2 ALA 1 2.447 -7.417 -7.707 4 HB3 ALA 1 HB3 ALA 1 0.974 -6.549 -8.137 5 H GLY 2 H GLY 2 -0.578 -5.459 -6.845 6 HA2 GLY 2 HA2 GLY 2 -2.885 -5.104 -6.601 7 HA3 GLY 2 HA3 GLY 2 -3.043 -6.826 -6.219 8 H CYS 3 H CYS 3 -1.126 -4.354 -4.839 9 HA CYS 3 HA CYS 3 -1.186 -5.301 -2.233 10 HB2 CYS 3 HB2 CYS 3 -0.487 -2.559 -3.216 11 HB3 CYS 3 HB3 CYS 3 -0.051 -3.300 -1.683 12 H ASP 4 H ASP 4 -2.455 -4.935 -0.599 13 HA ASP 4 HA ASP 4 -4.341 -2.711 -0.584 14 HB2 ASP 4 HB2 ASP 4 -6.131 -4.130 0.249 15 HB3 ASP 4 HB3 ASP 4 -5.509 -4.892 -1.204 16 H ASP 5 H ASP 5 -5.344 -3.164 1.947 17 HA ASP 5 HA ASP 5 -3.242 -2.137 3.523 18 HB2 ASP 5 HB2 ASP 5 -4.790 -2.035 5.368 19 HB3 ASP 5 HB3 ASP 5 -5.657 -1.587 3.915 20 H LYS 6 H LYS 6 -4.503 -5.341 3.128 21 HA LYS 6 HA LYS 6 -3.185 -6.311 5.461 22 HB2 LYS 6 HB2 LYS 6 -4.736 -7.641 3.286 23 HB3 LYS 6 HB3 LYS 6 -4.014 -8.524 4.638 24 HG2 LYS 6 HG2 LYS 6 -5.260 -7.293 6.223 25 HG3 LYS 6 HG3 LYS 6 -5.828 -6.178 4.990 26 HD2 LYS 6 HD2 LYS 6 -6.504 -9.099 5.149 27 HD3 LYS 6 HD3 LYS 6 -7.465 -7.726 5.734 28 HE2 LYS 6 HE2 LYS 6 -6.704 -8.306 2.861 29 HE3 LYS 6 HE3 LYS 6 -8.316 -8.439 3.548 30 HZ1 LYS 6 HZ1 LYS 6 -6.755 -6.034 2.901 31 HZ2 LYS 6 HZ2 LYS 6 -7.949 -5.921 4.075 32 HZ3 LYS 6 HZ3 LYS 6 -8.360 -6.375 2.513 33 H CYS 7 H CYS 7 -2.145 -5.395 2.552 34 HA CYS 7 HA CYS 7 -0.191 -7.500 2.090 35 HB2 CYS 7 HB2 CYS 7 -1.366 -5.943 0.328 36 HB3 CYS 7 HB3 CYS 7 -0.105 -4.802 0.771 37 H GLY 8 H GLY 8 -0.578 -4.606 3.905 38 HA2 GLY 8 HA2 GLY 8 0.898 -3.918 5.606 39 HA3 GLY 8 HA3 GLY 8 2.198 -4.799 4.808 40 H CYS 9 H CYS 9 0.662 -3.427 2.456 41 HA CYS 9 HA CYS 9 2.623 -1.336 2.164 42 HB2 CYS 9 HB2 CYS 9 0.797 -2.862 0.451 43 HB3 CYS 9 HB3 CYS 9 1.326 -1.348 -0.162 44 H ALA 10 H ALA 10 1.803 0.633 1.086 45 HA ALA 10 HA ALA 10 -0.268 1.887 2.557 46 HB1 ALA 10 HB1 ALA 10 1.626 3.135 1.704 47 HB2 ALA 10 HB2 ALA 10 0.146 3.743 0.932 48 HB3 ALA 10 HB3 ALA 10 1.221 2.628 0.068 49 H VAL 11 H VAL 11 -2.199 2.826 1.499 50 HA VAL 11 HA VAL 11 -3.191 1.225 -0.742 51 HB VAL 11 HB VAL 11 -4.875 1.841 1.687 52 HG11 VAL 11 HG11 VAL 11 -6.126 1.492 -0.335 53 HG12 VAL 11 HG12 VAL 11 -6.387 0.153 0.782 54 HG13 VAL 11 HG13 VAL 11 -5.317 -0.052 -0.604 55 HG21 VAL 11 HG21 VAL 11 -3.098 0.330 2.420 56 HG22 VAL 11 HG22 VAL 11 -3.447 -0.763 1.095 57 HG23 VAL 11 HG23 VAL 11 -4.634 -0.519 2.366 58 HA PRO 12 HA PRO 12 -3.690 1.638 -2.603 59 HB2 PRO 12 HB2 PRO 12 -3.103 3.153 -4.756 60 HB3 PRO 12 HB3 PRO 12 -4.772 2.801 -4.300 61 HG2 PRO 12 HG2 PRO 12 -3.158 5.267 -3.795 62 HG3 PRO 12 HG3 PRO 12 -4.846 5.128 -4.314 63 HD2 PRO 12 HD2 PRO 12 -4.114 5.625 -1.735 64 HD3 PRO 12 HD3 PRO 12 -5.604 4.769 -2.175 65 H CYS 13 H CYS 13 -1.684 0.951 -3.400 66 HA CYS 13 HA CYS 13 0.473 2.086 -1.943 67 HB2 CYS 13 HB2 CYS 13 0.210 -0.298 -2.008 68 HB3 CYS 13 HB3 CYS 13 0.384 -0.350 -3.776 69 HA PRO 14 HA PRO 14 1.711 4.755 -5.210 70 HB2 PRO 14 HB2 PRO 14 3.907 5.805 -4.127 71 HB3 PRO 14 HB3 PRO 14 2.315 6.090 -3.423 72 HG2 PRO 14 HG2 PRO 14 4.428 4.148 -2.569 73 HG3 PRO 14 HG3 PRO 14 3.423 5.219 -1.572 74 HD2 PRO 14 HD2 PRO 14 2.900 2.552 -1.980 75 HD3 PRO 14 HD3 PRO 14 1.668 3.776 -1.581 76 H GLY 15 H GLY 15 3.521 2.023 -4.414 77 HA2 GLY 15 HA2 GLY 15 4.680 0.705 -5.969 78 HA3 GLY 15 HA3 GLY 15 4.760 2.086 -7.046 79 H GLY 16 H GLY 16 5.941 3.848 -5.015 80 HA2 GLY 16 HA2 GLY 16 8.662 3.089 -5.474 81 HA3 GLY 16 HA3 GLY 16 8.111 4.553 -4.683 82 H THR 17 H THR 17 8.996 4.699 -2.733 83 HA THR 17 HA THR 17 10.181 2.661 -1.269 84 HB THR 17 HB THR 17 9.054 5.215 -0.116 85 HG1 THR 17 HG1 THR 17 10.747 6.295 -1.037 86 HG21 THR 17 HG21 THR 17 11.117 5.147 1.228 87 HG22 THR 17 HG22 THR 17 11.621 3.684 0.385 88 HG23 THR 17 HG23 THR 17 10.198 3.653 1.425 89 H GLY 18 H GLY 18 6.944 3.902 -1.359 90 HA2 GLY 18 HA2 GLY 18 5.971 2.700 1.039 91 HA3 GLY 18 HA3 GLY 18 4.992 3.375 -0.255 92 H CYS 19 H CYS 19 6.939 1.246 -1.845 93 HA CYS 19 HA CYS 19 4.875 -0.716 -1.582 94 HB2 CYS 19 HB2 CYS 19 5.638 -0.198 -3.904 95 HB3 CYS 19 HB3 CYS 19 7.211 -0.909 -3.489 96 H ARG 20 H ARG 20 5.244 -1.529 0.311 97 HA ARG 20 HA ARG 20 7.705 -2.695 1.056 98 HB2 ARG 20 HB2 ARG 20 4.895 -2.864 2.124 99 HB3 ARG 20 HB3 ARG 20 6.259 -3.585 2.960 100 HG2 ARG 20 HG2 ARG 20 7.286 -1.471 3.268 101 HG3 ARG 20 HG3 ARG 20 6.124 -0.682 2.202 102 HD2 ARG 20 HD2 ARG 20 4.366 -1.225 3.779 103 HD3 ARG 20 HD3 ARG 20 5.568 -1.927 4.887 104 HE ARG 20 HE ARG 20 6.589 0.417 4.600 105 HH11 ARG 20 HH11 ARG 20 3.198 -0.427 5.069 106 HH12 ARG 20 HH12 ARG 20 2.722 1.142 5.550 107 HH21 ARG 20 HH21 ARG 20 5.951 2.564 5.304 108 HH22 ARG 20 HH22 ARG 20 4.329 2.880 5.705 109 H CYS 21 H CYS 21 7.600 -3.583 -1.139 110 HA CYS 21 HA CYS 21 7.412 -6.473 -0.920 111 HB2 CYS 21 HB2 CYS 21 5.920 -4.867 -2.967 112 HB3 CYS 21 HB3 CYS 21 6.566 -6.420 -3.435 113 H THR 22 H THR 22 9.416 -4.212 -1.046 114 HA THR 22 HA THR 22 11.086 -5.307 -3.078 115 HB THR 22 HB THR 22 9.777 -3.437 -4.236 116 HG1 THR 22 HG1 THR 22 11.478 -3.316 -5.375 117 HG21 THR 22 HG21 THR 22 11.327 -1.664 -2.334 118 HG22 THR 22 HG22 THR 22 9.577 -1.886 -2.342 119 HG23 THR 22 HG23 THR 22 10.373 -1.104 -3.708 120 H SER 23 H SER 23 13.319 -3.972 -2.806 121 HA SER 23 HA SER 23 13.815 -4.278 -0.010 122 HB2 SER 23 HB2 SER 23 15.734 -3.762 -2.281 123 HB3 SER 23 HB3 SER 23 16.185 -4.151 -0.620 124 HG SER 23 HG SER 23 15.247 -6.127 -0.824 125 H ALA 24 H ALA 24 12.405 -2.415 0.237 126 HA ALA 24 HA ALA 24 14.016 0.004 0.396 127 HB1 ALA 24 HB1 ALA 24 11.938 0.411 -0.804 128 HB2 ALA 24 HB2 ALA 24 11.813 1.200 0.771 129 HB3 ALA 24 HB3 ALA 24 11.004 -0.341 0.484 130 H ARG 25 H ARG 25 11.441 -1.764 2.055 131 HA ARG 25 HA ARG 25 13.134 -2.028 4.398 132 HB2 ARG 25 HB2 ARG 25 10.232 -1.163 4.500 133 HB3 ARG 25 HB3 ARG 25 11.071 -1.867 5.861 134 HG2 ARG 25 HG2 ARG 25 12.677 0.015 5.751 135 HG3 ARG 25 HG3 ARG 25 11.638 0.762 4.529 136 HD2 ARG 25 HD2 ARG 25 9.758 0.690 6.087 137 HD3 ARG 25 HD3 ARG 25 10.789 -0.063 7.298 138 HE ARG 25 HE ARG 25 11.873 2.379 6.449 139 HH11 ARG 25 HH11 ARG 25 9.384 0.968 8.531 140 HH12 ARG 25 HH12 ARG 25 9.101 2.363 9.452 141 HH21 ARG 25 HH21 ARG 25 11.547 4.355 7.781 142 HH22 ARG 25 HH22 ARG 25 10.397 4.321 9.040 143 H SER 26 H SER 26 9.800 -2.897 3.546 144 HA SER 26 HA SER 26 10.209 -5.565 4.433 145 HB2 SER 26 HB2 SER 26 7.920 -4.460 2.873 146 HB3 SER 26 HB3 SER 26 7.891 -5.828 3.984 147 HG SER 26 HG SER 26 8.756 -4.010 5.494 148 H GLY 27 H GLY 27 11.607 -6.641 3.135 149 HA2 GLY 27 HA2 GLY 27 11.419 -6.529 0.261 150 HA3 GLY 27 HA3 GLY 27 12.538 -7.505 1.210 151 H GLY 28 H GLY 28 9.950 -8.235 2.752 152 HA2 GLY 28 HA2 GLY 28 9.493 -10.691 1.387 153 HA3 GLY 28 HA3 GLY 28 8.624 -10.115 2.814 154 H ALA 29 H ALA 29 8.559 -10.528 -0.534 155 HA ALA 29 HA ALA 29 6.524 -8.592 -1.056 156 HB1 ALA 29 HB1 ALA 29 7.545 -10.828 -2.804 157 HB2 ALA 29 HB2 ALA 29 8.182 -9.185 -2.765 158 HB3 ALA 29 HB3 ALA 29 6.534 -9.479 -3.321 159 H ALA 30 H ALA 30 4.734 -8.986 0.070 160 HA ALA 30 HA ALA 30 3.483 -11.523 0.274 161 HB1 ALA 30 HB1 ALA 30 2.290 -8.756 0.570 162 HB2 ALA 30 HB2 ALA 30 2.992 -9.724 1.870 163 HB3 ALA 30 HB3 ALA 30 1.518 -10.260 1.068 164 H GLY 31 H GLY 31 3.405 -8.894 -1.997 165 HA2 GLY 31 HA2 GLY 31 2.933 -10.081 -4.231 166 HA3 GLY 31 HA3 GLY 31 1.332 -10.260 -3.530 Start of MODEL 19 1 HA ALA 1 HA ALA 1 0.736 -0.745 -7.735 2 HB1 ALA 1 HB1 ALA 1 -1.540 -0.851 -5.754 3 HB2 ALA 1 HB2 ALA 1 -0.981 0.594 -6.598 4 HB3 ALA 1 HB3 ALA 1 0.083 -0.226 -5.460 5 H GLY 2 H GLY 2 -1.455 -3.339 -7.591 6 HA2 GLY 2 HA2 GLY 2 -1.250 -5.559 -7.180 7 HA3 GLY 2 HA3 GLY 2 0.488 -5.316 -7.110 8 H CYS 3 H CYS 3 -1.887 -3.737 -4.996 9 HA CYS 3 HA CYS 3 -0.883 -5.308 -2.785 10 HB2 CYS 3 HB2 CYS 3 -0.623 -2.328 -3.053 11 HB3 CYS 3 HB3 CYS 3 -0.245 -3.291 -1.618 12 H ASP 4 H ASP 4 -2.061 -4.876 -0.787 13 HA ASP 4 HA ASP 4 -4.678 -3.605 -0.995 14 HB2 ASP 4 HB2 ASP 4 -4.773 -6.155 -1.412 15 HB3 ASP 4 HB3 ASP 4 -4.081 -6.298 0.203 16 H ASP 5 H ASP 5 -5.467 -3.943 1.425 17 HA ASP 5 HA ASP 5 -3.648 -2.545 3.184 18 HB2 ASP 5 HB2 ASP 5 -5.935 -2.018 3.546 19 HB3 ASP 5 HB3 ASP 5 -6.410 -3.712 3.533 20 H LYS 6 H LYS 6 -4.831 -5.766 2.720 21 HA LYS 6 HA LYS 6 -3.526 -6.853 5.013 22 HB2 LYS 6 HB2 LYS 6 -4.795 -8.091 2.608 23 HB3 LYS 6 HB3 LYS 6 -3.990 -9.052 3.832 24 HG2 LYS 6 HG2 LYS 6 -6.262 -7.189 4.486 25 HG3 LYS 6 HG3 LYS 6 -6.519 -8.847 3.953 26 HD2 LYS 6 HD2 LYS 6 -6.571 -9.103 6.253 27 HD3 LYS 6 HD3 LYS 6 -4.887 -9.439 5.912 28 HE2 LYS 6 HE2 LYS 6 -5.104 -8.058 7.880 29 HE3 LYS 6 HE3 LYS 6 -4.316 -7.111 6.646 30 HZ1 LYS 6 HZ1 LYS 6 -6.096 -5.981 7.936 31 HZ2 LYS 6 HZ2 LYS 6 -7.245 -6.946 7.187 32 HZ3 LYS 6 HZ3 LYS 6 -6.291 -5.869 6.289 33 H CYS 7 H CYS 7 -2.400 -5.746 2.143 34 HA CYS 7 HA CYS 7 -0.193 -7.589 1.897 35 HB2 CYS 7 HB2 CYS 7 -1.291 -6.150 0.023 36 HB3 CYS 7 HB3 CYS 7 -0.245 -4.862 0.627 37 H GLY 8 H GLY 8 -1.031 -4.770 3.694 38 HA2 GLY 8 HA2 GLY 8 0.127 -3.989 5.551 39 HA3 GLY 8 HA3 GLY 8 1.548 -4.902 5.038 40 H CYS 9 H CYS 9 0.095 -3.304 2.574 41 HA CYS 9 HA CYS 9 2.153 -1.268 2.548 42 HB2 CYS 9 HB2 CYS 9 0.606 -2.754 0.498 43 HB3 CYS 9 HB3 CYS 9 1.201 -1.163 0.137 44 H ALA 10 H ALA 10 1.385 0.713 1.436 45 HA ALA 10 HA ALA 10 -0.945 1.833 2.592 46 HB1 ALA 10 HB1 ALA 10 0.785 2.763 0.312 47 HB2 ALA 10 HB2 ALA 10 1.005 3.178 2.013 48 HB3 ALA 10 HB3 ALA 10 -0.415 3.763 1.135 49 H VAL 11 H VAL 11 -2.776 2.704 1.311 50 HA VAL 11 HA VAL 11 -3.299 1.305 -1.182 51 HB VAL 11 HB VAL 11 -5.270 1.334 1.130 52 HG11 VAL 11 HG11 VAL 11 -5.497 0.033 -1.578 53 HG12 VAL 11 HG12 VAL 11 -6.329 1.495 -1.058 54 HG13 VAL 11 HG13 VAL 11 -6.696 -0.043 -0.281 55 HG21 VAL 11 HG21 VAL 11 -4.976 -1.108 1.264 56 HG22 VAL 11 HG22 VAL 11 -3.424 -0.327 1.501 57 HG23 VAL 11 HG23 VAL 11 -3.806 -1.054 -0.040 58 HA PRO 12 HA PRO 12 -3.809 1.806 -3.049 59 HB2 PRO 12 HB2 PRO 12 -3.100 3.568 -4.969 60 HB3 PRO 12 HB3 PRO 12 -4.784 3.095 -4.721 61 HG2 PRO 12 HG2 PRO 12 -3.353 5.555 -3.802 62 HG3 PRO 12 HG3 PRO 12 -4.975 5.405 -4.501 63 HD2 PRO 12 HD2 PRO 12 -4.541 5.656 -1.829 64 HD3 PRO 12 HD3 PRO 12 -5.912 4.757 -2.502 65 H CYS 13 H CYS 13 -1.760 1.098 -3.340 66 HA CYS 13 HA CYS 13 0.250 2.458 -1.864 67 HB2 CYS 13 HB2 CYS 13 0.017 0.034 -1.816 68 HB3 CYS 13 HB3 CYS 13 0.474 -0.075 -3.527 69 HA PRO 14 HA PRO 14 1.631 4.973 -5.183 70 HB2 PRO 14 HB2 PRO 14 4.040 5.774 -4.174 71 HB3 PRO 14 HB3 PRO 14 2.490 6.429 -3.648 72 HG2 PRO 14 HG2 PRO 14 4.207 4.367 -2.344 73 HG3 PRO 14 HG3 PRO 14 3.255 5.662 -1.601 74 HD2 PRO 14 HD2 PRO 14 2.480 3.057 -1.686 75 HD3 PRO 14 HD3 PRO 14 1.325 4.410 -1.625 76 H GLY 15 H GLY 15 3.780 2.481 -3.999 77 HA2 GLY 15 HA2 GLY 15 4.424 0.743 -5.578 78 HA3 GLY 15 HA3 GLY 15 4.409 1.959 -6.834 79 H GLY 16 H GLY 16 6.105 3.817 -5.106 80 HA2 GLY 16 HA2 GLY 16 8.586 2.555 -5.959 81 HA3 GLY 16 HA3 GLY 16 8.375 4.257 -5.571 82 H THR 17 H THR 17 9.265 4.901 -3.717 83 HA THR 17 HA THR 17 10.428 3.064 -1.919 84 HB THR 17 HB THR 17 10.819 5.217 -0.568 85 HG1 THR 17 HG1 THR 17 9.977 7.011 -1.310 86 HG21 THR 17 HG21 THR 17 12.505 4.260 -2.083 87 HG22 THR 17 HG22 THR 17 12.525 6.024 -2.151 88 HG23 THR 17 HG23 THR 17 11.759 5.100 -3.443 89 H GLY 18 H GLY 18 7.347 4.426 -2.197 90 HA2 GLY 18 HA2 GLY 18 6.639 3.902 0.573 91 HA3 GLY 18 HA3 GLY 18 5.590 4.616 -0.647 92 H CYS 19 H CYS 19 7.369 1.827 -1.557 93 HA CYS 19 HA CYS 19 4.991 0.221 -1.136 94 HB2 CYS 19 HB2 CYS 19 5.541 0.541 -3.461 95 HB3 CYS 19 HB3 CYS 19 7.143 -0.111 -3.176 96 H ARG 20 H ARG 20 5.264 -0.988 0.549 97 HA ARG 20 HA ARG 20 7.758 -2.128 1.295 98 HB2 ARG 20 HB2 ARG 20 4.921 -2.688 2.210 99 HB3 ARG 20 HB3 ARG 20 6.376 -3.286 3.002 100 HG2 ARG 20 HG2 ARG 20 7.027 -1.104 3.656 101 HG3 ARG 20 HG3 ARG 20 5.809 -0.357 2.627 102 HD2 ARG 20 HD2 ARG 20 4.051 -1.238 3.986 103 HD3 ARG 20 HD3 ARG 20 5.206 -2.110 5.014 104 HE ARG 20 HE ARG 20 5.943 0.525 5.084 105 HH11 ARG 20 HH11 ARG 20 2.956 -1.211 5.826 106 HH12 ARG 20 HH12 ARG 20 2.478 -0.209 7.104 107 HH21 ARG 20 HH21 ARG 20 5.307 1.972 6.821 108 HH22 ARG 20 HH22 ARG 20 3.878 1.689 7.685 109 H CYS 21 H CYS 21 7.667 -2.754 -1.121 110 HA CYS 21 HA CYS 21 7.625 -5.659 -1.115 111 HB2 CYS 21 HB2 CYS 21 5.939 -4.049 -2.917 112 HB3 CYS 21 HB3 CYS 21 6.681 -5.488 -3.583 113 H THR 22 H THR 22 9.471 -3.240 -1.363 114 HA THR 22 HA THR 22 10.533 -3.315 -3.991 115 HB THR 22 HB THR 22 10.747 -1.291 -2.619 116 HG1 THR 22 HG1 THR 22 12.623 -2.216 -4.078 117 HG21 THR 22 HG21 THR 22 12.532 -2.939 -0.817 118 HG22 THR 22 HG22 THR 22 10.937 -2.313 -0.405 119 HG23 THR 22 HG23 THR 22 12.277 -1.199 -0.685 120 H SER 23 H SER 23 10.826 -5.404 -1.344 121 HA SER 23 HA SER 23 12.920 -6.868 -2.727 122 HB2 SER 23 HB2 SER 23 13.936 -5.449 -0.866 123 HB3 SER 23 HB3 SER 23 12.965 -6.373 0.274 124 HG SER 23 HG SER 23 14.902 -7.402 -1.508 125 H ALA 24 H ALA 24 9.938 -6.971 -2.246 126 HA ALA 24 HA ALA 24 9.848 -9.655 -1.073 127 HB1 ALA 24 HB1 ALA 24 8.818 -8.006 0.479 128 HB2 ALA 24 HB2 ALA 24 7.696 -9.242 -0.077 129 HB3 ALA 24 HB3 ALA 24 7.627 -7.627 -0.770 130 H ARG 25 H ARG 25 7.503 -7.602 -2.782 131 HA ARG 25 HA ARG 25 7.299 -9.731 -4.793 132 HB2 ARG 25 HB2 ARG 25 5.100 -7.891 -3.826 133 HB3 ARG 25 HB3 ARG 25 4.947 -9.084 -5.101 134 HG2 ARG 25 HG2 ARG 25 5.528 -9.687 -2.213 135 HG3 ARG 25 HG3 ARG 25 3.942 -9.792 -2.978 136 HD2 ARG 25 HD2 ARG 25 4.836 -11.480 -4.527 137 HD3 ARG 25 HD3 ARG 25 6.388 -11.406 -3.690 138 HE ARG 25 HE ARG 25 4.899 -11.944 -1.667 139 HH11 ARG 25 HH11 ARG 25 4.629 -13.404 -4.912 140 HH12 ARG 25 HH12 ARG 25 3.960 -14.853 -4.348 141 HH21 ARG 25 HH21 ARG 25 3.927 -13.922 -0.929 142 HH22 ARG 25 HH22 ARG 25 3.546 -15.159 -2.035 143 H SER 26 H SER 26 8.890 -8.656 -5.974 144 HA SER 26 HA SER 26 8.249 -6.003 -6.992 145 HB2 SER 26 HB2 SER 26 10.757 -7.689 -7.218 146 HB3 SER 26 HB3 SER 26 10.595 -6.004 -7.710 147 HG SER 26 HG SER 26 9.796 -6.000 -5.261 148 H GLY 27 H GLY 27 9.285 -5.987 -9.459 149 HA2 GLY 27 HA2 GLY 27 9.428 -7.123 -11.524 150 HA3 GLY 27 HA3 GLY 27 8.401 -8.393 -10.870 151 H GLY 28 H GLY 28 6.274 -8.312 -11.244 152 HA2 GLY 28 HA2 GLY 28 5.264 -5.889 -12.555 153 HA3 GLY 28 HA3 GLY 28 4.718 -7.523 -12.929 154 H ALA 29 H ALA 29 3.647 -4.885 -11.608 155 HA ALA 29 HA ALA 29 2.145 -6.302 -9.532 156 HB1 ALA 29 HB1 ALA 29 2.060 -4.194 -8.256 157 HB2 ALA 29 HB2 ALA 29 3.087 -3.429 -9.466 158 HB3 ALA 29 HB3 ALA 29 3.719 -4.749 -8.480 159 H ALA 30 H ALA 30 0.045 -6.341 -9.994 160 HA ALA 30 HA ALA 30 -1.014 -4.946 -12.244 161 HB1 ALA 30 HB1 ALA 30 -2.446 -6.517 -10.091 162 HB2 ALA 30 HB2 ALA 30 -1.848 -7.166 -11.616 163 HB3 ALA 30 HB3 ALA 30 -3.159 -5.985 -11.615 164 H GLY 31 H GLY 31 -1.094 -2.825 -12.091 165 HA2 GLY 31 HA2 GLY 31 -1.824 -0.746 -11.401 166 HA3 GLY 31 HA3 GLY 31 -2.770 -1.546 -10.136 Start of MODEL 20 1 HA ALA 1 HA ALA 1 1.669 -5.691 -6.087 2 HB1 ALA 1 HB1 ALA 1 2.790 -7.032 -7.826 3 HB2 ALA 1 HB2 ALA 1 1.296 -6.329 -8.442 4 HB3 ALA 1 HB3 ALA 1 1.346 -8.032 -7.987 5 H GLY 2 H GLY 2 -0.341 -4.852 -6.894 6 HA2 GLY 2 HA2 GLY 2 -2.678 -4.658 -6.776 7 HA3 GLY 2 HA3 GLY 2 -2.763 -6.396 -6.439 8 H CYS 3 H CYS 3 -1.049 -3.797 -5.001 9 HA CYS 3 HA CYS 3 -0.983 -4.880 -2.439 10 HB2 CYS 3 HB2 CYS 3 -0.550 -2.009 -3.217 11 HB3 CYS 3 HB3 CYS 3 0.020 -2.834 -1.758 12 H ASP 4 H ASP 4 -2.065 -4.558 -0.626 13 HA ASP 4 HA ASP 4 -4.184 -2.572 -0.359 14 HB2 ASP 4 HB2 ASP 4 -5.125 -4.869 -1.057 15 HB3 ASP 4 HB3 ASP 4 -4.426 -5.511 0.420 16 H ASP 5 H ASP 5 -4.812 -3.300 2.249 17 HA ASP 5 HA ASP 5 -2.380 -2.651 3.682 18 HB2 ASP 5 HB2 ASP 5 -4.514 -1.778 4.547 19 HB3 ASP 5 HB3 ASP 5 -5.116 -3.422 4.750 20 H LYS 6 H LYS 6 -4.340 -5.322 2.920 21 HA LYS 6 HA LYS 6 -3.239 -7.280 4.581 22 HB2 LYS 6 HB2 LYS 6 -4.452 -7.529 1.846 23 HB3 LYS 6 HB3 LYS 6 -4.106 -8.881 2.919 24 HG2 LYS 6 HG2 LYS 6 -5.638 -7.967 4.576 25 HG3 LYS 6 HG3 LYS 6 -5.982 -6.603 3.511 26 HD2 LYS 6 HD2 LYS 6 -6.715 -8.136 1.829 27 HD3 LYS 6 HD3 LYS 6 -6.502 -9.503 2.921 28 HE2 LYS 6 HE2 LYS 6 -8.117 -8.475 4.503 29 HE3 LYS 6 HE3 LYS 6 -8.381 -7.162 3.361 30 HZ1 LYS 6 HZ1 LYS 6 -10.131 -8.803 3.204 31 HZ2 LYS 6 HZ2 LYS 6 -9.038 -10.026 2.920 32 HZ3 LYS 6 HZ3 LYS 6 -9.254 -8.817 1.771 33 H CYS 7 H CYS 7 -1.868 -5.550 2.029 34 HA CYS 7 HA CYS 7 0.073 -7.613 1.304 35 HB2 CYS 7 HB2 CYS 7 -0.955 -5.919 -0.355 36 HB3 CYS 7 HB3 CYS 7 0.160 -4.757 0.361 37 H GLY 8 H GLY 8 -0.319 -4.947 3.445 38 HA2 GLY 8 HA2 GLY 8 1.108 -4.340 5.149 39 HA3 GLY 8 HA3 GLY 8 2.368 -5.348 4.432 40 H CYS 9 H CYS 9 0.615 -3.215 2.424 41 HA CYS 9 HA CYS 9 2.919 -1.430 2.267 42 HB2 CYS 9 HB2 CYS 9 1.076 -2.620 0.292 43 HB3 CYS 9 HB3 CYS 9 1.609 -0.997 -0.006 44 H ALA 10 H ALA 10 2.161 0.761 1.348 45 HA ALA 10 HA ALA 10 0.239 2.002 2.953 46 HB1 ALA 10 HB1 ALA 10 0.509 3.878 1.346 47 HB2 ALA 10 HB2 ALA 10 1.460 2.808 0.310 48 HB3 ALA 10 HB3 ALA 10 2.053 3.242 1.911 49 H VAL 11 H VAL 11 -1.798 2.881 2.263 50 HA VAL 11 HA VAL 11 -3.001 1.555 -0.044 51 HB VAL 11 HB VAL 11 -4.431 1.814 2.615 52 HG11 VAL 11 HG11 VAL 11 -6.093 0.317 1.604 53 HG12 VAL 11 HG12 VAL 11 -5.186 0.356 0.091 54 HG13 VAL 11 HG13 VAL 11 -5.923 1.831 0.715 55 HG21 VAL 11 HG21 VAL 11 -2.654 0.162 2.867 56 HG22 VAL 11 HG22 VAL 11 -3.184 -0.658 1.407 57 HG23 VAL 11 HG23 VAL 11 -4.223 -0.637 2.824 58 HA PRO 12 HA PRO 12 -3.712 2.125 -1.788 59 HB2 PRO 12 HB2 PRO 12 -3.309 3.869 -3.811 60 HB3 PRO 12 HB3 PRO 12 -4.934 3.472 -3.235 61 HG2 PRO 12 HG2 PRO 12 -3.231 5.849 -2.597 62 HG3 PRO 12 HG3 PRO 12 -4.958 5.795 -3.000 63 HD2 PRO 12 HD2 PRO 12 -4.065 5.995 -0.444 64 HD3 PRO 12 HD3 PRO 12 -5.560 5.151 -0.872 65 H CYS 13 H CYS 13 -1.795 1.491 -2.800 66 HA CYS 13 HA CYS 13 0.560 2.692 -1.678 67 HB2 CYS 13 HB2 CYS 13 0.287 0.238 -1.630 68 HB3 CYS 13 HB3 CYS 13 0.294 0.188 -3.394 69 HA PRO 14 HA PRO 14 1.147 5.059 -5.392 70 HB2 PRO 14 HB2 PRO 14 3.987 5.334 -4.759 71 HB3 PRO 14 HB3 PRO 14 2.720 6.560 -4.745 72 HG2 PRO 14 HG2 PRO 14 3.893 5.625 -2.480 73 HG3 PRO 14 HG3 PRO 14 2.227 6.213 -2.534 74 HD2 PRO 14 HD2 PRO 14 3.236 3.381 -2.490 75 HD3 PRO 14 HD3 PRO 14 1.823 4.121 -1.704 76 H GLY 15 H GLY 15 3.536 2.632 -4.605 77 HA2 GLY 15 HA2 GLY 15 4.127 0.849 -6.080 78 HA3 GLY 15 HA3 GLY 15 3.657 1.854 -7.450 79 H GLY 16 H GLY 16 6.240 0.456 -6.259 80 HA2 GLY 16 HA2 GLY 16 8.500 0.854 -6.434 81 HA3 GLY 16 HA3 GLY 16 8.123 2.395 -7.210 82 H THR 17 H THR 17 7.383 4.114 -5.830 83 HA THR 17 HA THR 17 8.894 4.325 -3.399 84 HB THR 17 HB THR 17 6.886 6.204 -4.661 85 HG1 THR 17 HG1 THR 17 9.720 6.326 -4.903 86 HG21 THR 17 HG21 THR 17 7.417 6.740 -2.340 87 HG22 THR 17 HG22 THR 17 8.138 7.940 -3.418 88 HG23 THR 17 HG23 THR 17 9.138 6.672 -2.704 89 H GLY 18 H GLY 18 7.974 4.117 -1.370 90 HA2 GLY 18 HA2 GLY 18 6.380 3.770 0.244 91 HA3 GLY 18 HA3 GLY 18 5.146 4.196 -0.941 92 H CYS 19 H CYS 19 7.201 1.914 -2.178 93 HA CYS 19 HA CYS 19 5.085 0.050 -1.761 94 HB2 CYS 19 HB2 CYS 19 5.742 0.517 -4.090 95 HB3 CYS 19 HB3 CYS 19 7.314 -0.219 -3.760 96 H ARG 20 H ARG 20 5.777 -0.406 0.355 97 HA ARG 20 HA ARG 20 8.192 -1.840 0.646 98 HB2 ARG 20 HB2 ARG 20 7.320 -2.328 2.991 99 HB3 ARG 20 HB3 ARG 20 7.616 -0.648 2.587 100 HG2 ARG 20 HG2 ARG 20 5.207 -0.350 2.186 101 HG3 ARG 20 HG3 ARG 20 4.953 -2.032 2.664 102 HD2 ARG 20 HD2 ARG 20 6.197 0.089 4.394 103 HD3 ARG 20 HD3 ARG 20 4.508 -0.433 4.486 104 HE ARG 20 HE ARG 20 5.828 -2.731 4.775 105 HH11 ARG 20 HH11 ARG 20 6.226 0.379 6.429 106 HH12 ARG 20 HH12 ARG 20 6.695 -0.323 7.901 107 HH21 ARG 20 HH21 ARG 20 6.462 -3.673 6.751 108 HH22 ARG 20 HH22 ARG 20 6.836 -2.697 8.112 109 H CYS 21 H CYS 21 7.575 -2.984 -1.101 110 HA CYS 21 HA CYS 21 6.333 -5.589 -0.413 111 HB2 CYS 21 HB2 CYS 21 6.439 -4.046 -2.858 112 HB3 CYS 21 HB3 CYS 21 7.309 -5.548 -3.103 113 H THR 22 H THR 22 9.148 -4.091 -1.984 114 HA THR 22 HA THR 22 10.851 -6.284 -1.689 115 HB THR 22 HB THR 22 11.168 -4.498 -3.385 116 HG1 THR 22 HG1 THR 22 13.389 -4.177 -3.087 117 HG21 THR 22 HG21 THR 22 10.491 -2.538 -2.091 118 HG22 THR 22 HG22 THR 22 12.113 -2.300 -2.743 119 HG23 THR 22 HG23 THR 22 11.899 -2.721 -1.045 120 H SER 23 H SER 23 12.119 -6.880 -0.003 121 HA SER 23 HA SER 23 13.112 -7.023 1.983 122 HB2 SER 23 HB2 SER 23 12.627 -4.043 2.263 123 HB3 SER 23 HB3 SER 23 13.649 -5.013 3.324 124 HG SER 23 HG SER 23 15.155 -4.919 1.954 125 H ALA 24 H ALA 24 9.982 -6.248 1.515 126 HA ALA 24 HA ALA 24 9.308 -6.489 4.301 127 HB1 ALA 24 HB1 ALA 24 8.201 -4.697 3.122 128 HB2 ALA 24 HB2 ALA 24 7.016 -5.929 3.581 129 HB3 ALA 24 HB3 ALA 24 7.596 -5.837 1.920 130 H ARG 25 H ARG 25 9.742 -8.316 1.563 131 HA ARG 25 HA ARG 25 8.359 -10.551 2.760 132 HB2 ARG 25 HB2 ARG 25 7.032 -9.321 0.862 133 HB3 ARG 25 HB3 ARG 25 8.207 -10.069 -0.204 134 HG2 ARG 25 HG2 ARG 25 6.147 -11.369 -0.081 135 HG3 ARG 25 HG3 ARG 25 7.514 -12.277 0.573 136 HD2 ARG 25 HD2 ARG 25 6.843 -11.811 2.828 137 HD3 ARG 25 HD3 ARG 25 5.621 -10.666 2.284 138 HE ARG 25 HE ARG 25 4.476 -12.611 1.310 139 HH11 ARG 25 HH11 ARG 25 6.859 -13.270 3.862 140 HH12 ARG 25 HH12 ARG 25 5.946 -14.528 4.565 141 HH21 ARG 25 HH21 ARG 25 3.257 -14.373 2.282 142 HH22 ARG 25 HH22 ARG 25 3.881 -15.185 3.645 143 H SER 26 H SER 26 9.751 -12.221 2.799 144 HA SER 26 HA SER 26 12.349 -11.767 1.622 145 HB2 SER 26 HB2 SER 26 11.436 -13.838 3.605 146 HB3 SER 26 HB3 SER 26 13.107 -13.480 3.161 147 HG SER 26 HG SER 26 11.269 -11.967 4.630 148 H GLY 27 H GLY 27 12.879 -12.613 -0.207 149 HA2 GLY 27 HA2 GLY 27 13.387 -14.384 -1.628 150 HA3 GLY 27 HA3 GLY 27 12.205 -15.379 -0.782 151 H GLY 28 H GLY 28 10.063 -15.289 -1.362 152 HA2 GLY 28 HA2 GLY 28 9.627 -14.356 -4.065 153 HA3 GLY 28 HA3 GLY 28 8.537 -15.351 -3.103 154 H ALA 29 H ALA 29 9.611 -12.119 -3.775 155 HA ALA 29 HA ALA 29 7.694 -11.012 -1.951 156 HB1 ALA 29 HB1 ALA 29 9.861 -9.873 -2.278 157 HB2 ALA 29 HB2 ALA 29 8.498 -8.829 -2.681 158 HB3 ALA 29 HB3 ALA 29 9.439 -9.583 -3.966 159 H ALA 30 H ALA 30 5.877 -11.976 -2.801 160 HA ALA 30 HA ALA 30 4.935 -10.810 -5.297 161 HB1 ALA 30 HB1 ALA 30 3.876 -13.200 -3.773 162 HB2 ALA 30 HB2 ALA 30 4.878 -13.270 -5.222 163 HB3 ALA 30 HB3 ALA 30 3.249 -12.601 -5.309 164 H GLY 31 H GLY 31 4.061 -8.909 -4.733 165 HA2 GLY 31 HA2 GLY 31 1.735 -8.991 -3.035 166 HA3 GLY 31 HA3 GLY 31 3.075 -8.028 -2.408
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