NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
625474 | 6cei | 30406 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 HT1 CYS 1 -7.106 5.630 6.631 2 H2 CYS 1 HT2 CYS 1 -5.654 6.367 7.087 3 H3 CYS 1 HT3 CYS 1 -6.085 4.858 7.747 4 HA CYS 1 HA CYS 1 -5.470 5.440 4.931 5 HB2 CYS 1 HB2 CYS 1 -3.532 3.900 5.395 6 HB3 CYS 1 HB1 CYS 1 -3.441 5.438 6.236 7 H ALA 2 H ALA 2 -5.267 3.431 3.645 8 HA ALA 2 HA ALA 2 -7.393 1.567 4.291 9 HB1 ALA 2 HB1 ALA 2 -7.066 0.775 1.995 10 HB2 ALA 2 HB2 ALA 2 -5.685 1.861 1.818 11 HB3 ALA 2 HB3 ALA 2 -7.307 2.518 2.053 12 H VAL 3 H VAL 3 -7.083 -0.612 4.515 13 HA VAL 3 HA VAL 3 -4.417 -1.277 5.489 14 HB VAL 3 HB VAL 3 -5.430 -3.278 6.479 15 HG11 VAL 3 HG11 VAL 3 -6.992 -0.771 7.067 16 HG12 VAL 3 HG12 VAL 3 -5.449 -1.238 7.783 17 HG13 VAL 3 3HG1 VAL 3 -6.898 -2.190 8.111 18 HG21 VAL 3 HG21 VAL 3 -7.981 -2.299 5.204 19 HG22 VAL 3 HG22 VAL 3 -7.888 -3.616 6.380 20 HG23 VAL 3 HG23 VAL 3 -7.106 -3.769 4.801 21 H THR 4 H THR 4 -4.071 -3.842 5.162 22 HA THR 4 HA THR 4 -3.144 -4.196 2.606 23 HB THR 4 HB THR 4 -3.963 -6.431 4.472 24 HG1 THR 4 HG1 THR 4 -1.603 -6.008 5.102 25 HG21 THR 4 HG21 THR 4 -1.977 -7.529 3.507 26 HG22 THR 4 HG22 THR 4 -1.688 -6.105 2.504 27 HG23 THR 4 HG23 THR 4 -3.130 -7.082 2.247 28 H HIS 5 H HIS 5 -4.047 -4.749 0.778 29 HA HIS 5 HA HIS 5 -5.300 -5.666 -0.787 30 HB2 HIS 5 HB2 HIS 5 -6.790 -7.082 1.425 31 HB3 HIS 5 HB1 HIS 5 -7.159 -7.301 -0.280 32 HD1 HIS 5 HD1 HIS 5 -5.253 -8.839 2.325 33 HD2 HIS 5 HD2 HIS 5 -4.663 -8.166 -1.730 34 HE1 HIS 5 HE1 HIS 5 -3.463 -10.452 1.602 35 H GLU 6 H GLU 6 -6.414 -3.380 1.280 36 HA GLU 6 HA GLU 6 -8.932 -3.013 -0.091 37 HB2 GLU 6 HB2 GLU 6 -7.380 -1.310 1.843 38 HB3 GLU 6 HB1 GLU 6 -8.824 -0.703 1.024 39 HG2 GLU 6 HG2 GLU 6 -9.953 -2.723 2.093 40 HG3 GLU 6 HG1 GLU 6 -8.496 -2.827 3.090 41 H LYS 7 H LYS 7 -9.323 -1.166 -1.490 42 HA LYS 7 HA LYS 7 -7.196 -0.820 -3.320 43 HB2 LYS 7 HB2 LYS 7 -9.950 0.333 -3.148 44 HB3 LYS 7 HB1 LYS 7 -8.776 1.050 -4.238 45 HG2 LYS 7 HG2 LYS 7 -10.135 -0.494 -5.454 46 HG3 LYS 7 HG1 LYS 7 -8.503 -1.140 -5.336 47 HD2 LYS 7 HD2 LYS 7 -9.276 -2.581 -3.466 48 HD3 LYS 7 HD1 LYS 7 -10.910 -1.969 -3.722 49 HE2 LYS 7 HE2 LYS 7 -9.238 -3.465 -5.739 50 HE3 LYS 7 HE1 LYS 7 -10.601 -4.114 -4.832 51 HZ1 LYS 7 HZ1 LYS 7 -11.217 -3.455 -7.102 52 HZ2 LYS 7 HZ2 LYS 7 -10.754 -1.882 -6.790 53 HZ3 LYS 7 HZ3 LYS 7 -12.058 -2.536 -5.966 54 H CYS 8 H CYS 8 -6.063 1.020 -3.834 55 HA CYS 8 HA CYS 8 -5.821 2.847 -1.562 56 HB2 CYS 8 HB2 CYS 8 -3.443 3.034 -2.297 57 HB3 CYS 8 HB1 CYS 8 -3.904 1.451 -1.678 58 H SER 9 H SER 9 -5.794 4.956 -1.958 59 HA SER 9 HA SER 9 -6.398 5.870 -4.600 60 HB2 SER 9 HB2 SER 9 -5.884 7.370 -2.022 61 HB3 SER 9 HB1 SER 9 -6.579 8.057 -3.494 62 HG SER 9 HG SER 9 -8.372 7.501 -2.595 63 H ASP 10 H ASP 10 -3.687 5.936 -2.303 64 HA ASP 10 HA ASP 10 -1.806 6.132 -4.405 65 HB2 ASP 10 HB2 ASP 10 -0.717 8.136 -3.785 66 HB3 ASP 10 HB1 ASP 10 -2.414 8.571 -3.896 67 H ASP 11 H ASP 11 0.475 6.362 -3.127 68 HA ASP 11 HA ASP 11 0.650 3.929 -1.679 69 HB2 ASP 11 HB2 ASP 11 2.719 6.098 -1.991 70 HB3 ASP 11 HB1 ASP 11 3.029 4.514 -1.294 71 H TYR 12 H TYR 12 0.562 7.252 -0.577 72 HA TYR 12 HA TYR 12 1.286 6.428 2.094 73 HB2 TYR 12 HB2 TYR 12 0.762 9.114 0.849 74 HB3 TYR 12 HB1 TYR 12 0.997 8.912 2.581 75 HD1 TYR 12 HD1 TYR 12 2.625 8.775 -0.705 76 HD2 TYR 12 HD2 TYR 12 3.167 8.329 3.480 77 HE1 TYR 12 HE1 TYR 12 5.067 8.822 -1.023 78 HE2 TYR 12 HE2 TYR 12 5.596 8.377 3.179 79 HH TYR 12 HH TYR 12 7.040 9.356 0.294 80 H ASP 13 H ASP 13 -1.364 6.307 0.362 81 HA ASP 13 HA ASP 13 -3.315 7.004 2.371 82 HB2 ASP 13 HB2 ASP 13 -3.903 7.366 0.069 83 HB3 ASP 13 HB1 ASP 13 -3.439 5.735 -0.362 84 H CYS 14 H CYS 14 -1.308 4.409 1.637 85 HA CYS 14 HA CYS 14 -3.035 2.390 2.803 86 HB2 CYS 14 HB2 CYS 14 -0.264 2.208 1.631 87 HB3 CYS 14 HB1 CYS 14 -1.233 0.844 2.191 88 H CYS 15 H CYS 15 -2.657 1.344 4.701 89 HA CYS 15 HA CYS 15 -1.250 2.736 6.757 90 HB2 CYS 15 HB2 CYS 15 -2.465 -0.036 6.791 91 HB3 CYS 15 HB1 CYS 15 -1.986 0.902 8.199 92 H GLY 16 H GLY 16 0.337 1.641 8.190 93 HA2 GLY 16 HA2 GLY 16 2.303 0.584 8.609 94 HA3 GLY 16 HA1 GLY 16 1.759 -0.657 7.494 95 H SER 17 H SER 17 3.563 -1.032 6.369 96 HA SER 17 HA SER 17 4.863 1.241 5.073 97 HB2 SER 17 HB2 SER 17 6.762 -0.347 4.787 98 HB3 SER 17 HB1 SER 17 6.348 -0.077 6.480 99 HG SER 17 HG SER 17 5.795 -2.078 6.676 100 H LEU 18 H LEU 18 2.345 -0.156 4.350 101 HA LEU 18 HA LEU 18 2.882 -1.739 2.017 102 HB2 LEU 18 HB2 LEU 18 0.333 -0.393 2.884 103 HB3 LEU 18 HB1 LEU 18 0.477 -1.627 1.653 104 HG LEU 18 HG LEU 18 0.942 -1.998 4.608 105 HD11 LEU 18 HD11 LEU 18 -1.095 -3.345 4.491 106 HD12 LEU 18 HD12 LEU 18 -1.289 -2.880 2.801 107 HD13 LEU 18 HD13 LEU 18 -1.380 -1.658 4.069 108 HD21 LEU 18 HD21 LEU 18 1.048 -4.397 4.067 109 HD22 LEU 18 HD22 LEU 18 2.364 -3.487 3.334 110 HD23 LEU 18 HD23 LEU 18 0.993 -4.002 2.346 111 H CYS 19 H CYS 19 2.240 -1.099 -0.127 112 HA CYS 19 HA CYS 19 2.367 1.772 -0.566 113 HB2 CYS 19 HB2 CYS 19 3.696 -0.444 -2.146 114 HB3 CYS 19 HB1 CYS 19 3.666 1.254 -2.616 115 H CYS 20 H CYS 20 1.669 2.080 -3.029 116 HA CYS 20 HA CYS 20 -0.935 0.755 -3.136 117 HB2 CYS 20 HB2 CYS 20 -0.922 3.195 -2.935 118 HB3 CYS 20 HB1 CYS 20 0.030 3.306 -4.410 119 H VAL 21 H VAL 21 -1.074 -0.823 -4.482 120 HA VAL 21 HA VAL 21 -0.192 -0.385 -7.171 121 HB VAL 21 HB VAL 21 1.655 -1.711 -6.252 122 HG11 VAL 21 HG11 VAL 21 -0.364 -3.772 -5.410 123 HG12 VAL 21 HG12 VAL 21 0.600 -2.740 -4.356 124 HG13 VAL 21 3HG1 VAL 21 1.390 -3.965 -5.348 125 HG21 VAL 21 HG21 VAL 21 1.631 -3.657 -7.762 126 HG22 VAL 21 HG22 VAL 21 1.063 -2.187 -8.555 127 HG23 VAL 21 HG23 VAL 21 -0.095 -3.409 -8.029 128 H GLY 22 H GLY 22 -2.416 0.187 -7.013 129 HA2 GLY 22 HA2 GLY 22 -4.577 -0.294 -7.769 130 HA3 GLY 22 HA1 GLY 22 -4.187 -2.017 -7.702 131 H ILE 23 H ILE 23 -3.426 -2.511 -5.356 132 HA ILE 23 HA ILE 23 -5.381 -1.530 -3.424 133 HB ILE 23 HB ILE 23 -5.326 -3.798 -2.391 134 HG12 ILE 23 HG12 ILE 23 -3.851 -4.602 -4.919 135 HG13 ILE 23 HG11 ILE 23 -3.162 -4.551 -3.303 136 HG21 ILE 23 HG21 ILE 23 -7.183 -3.210 -3.823 137 HG22 ILE 23 HG22 ILE 23 -6.783 -4.916 -4.024 138 HG23 ILE 23 HG23 ILE 23 -6.289 -3.744 -5.246 139 HD11 ILE 23 HD11 ILE 23 -5.375 -6.373 -4.228 140 HD12 ILE 23 HD12 ILE 23 -4.690 -6.323 -2.605 141 HD13 ILE 23 HD13 ILE 23 -3.690 -6.827 -3.966 142 H CYS 24 H CYS 24 -4.571 -1.785 -1.214 143 HA CYS 24 HA CYS 24 -1.872 -0.932 -1.006 144 HB2 CYS 24 HB2 CYS 24 -3.906 -1.655 1.098 145 HB3 CYS 24 HB1 CYS 24 -2.309 -1.005 1.449 146 H ALA 25 H ALA 25 -0.285 -2.204 -1.243 147 HA ALA 25 HA ALA 25 -0.160 -4.707 0.187 148 HB1 ALA 25 HB1 ALA 25 -1.120 -5.342 -1.968 149 HB2 ALA 25 HB2 ALA 25 0.540 -5.925 -1.823 150 HB3 ALA 25 HB3 ALA 25 0.187 -4.504 -2.807 151 H LYS 26 H LYS 26 2.019 -5.359 0.382 152 HA LYS 26 HA LYS 26 3.832 -3.121 0.171 153 HB2 LYS 26 HB2 LYS 26 3.708 -4.614 2.197 154 HB3 LYS 26 HB1 LYS 26 4.447 -5.871 1.211 155 HG2 LYS 26 HG2 LYS 26 6.365 -4.482 0.808 156 HG3 LYS 26 HG1 LYS 26 5.610 -3.166 1.703 157 HD2 LYS 26 HD2 LYS 26 5.614 -4.569 3.709 158 HD3 LYS 26 HD1 LYS 26 6.467 -5.824 2.794 159 HE2 LYS 26 HE2 LYS 26 8.061 -4.500 4.045 160 HE3 LYS 26 HE1 LYS 26 8.230 -4.248 2.299 161 HZ1 LYS 26 HZ1 LYS 26 8.372 -2.199 3.529 162 HZ2 LYS 26 HZ2 LYS 26 6.834 -2.406 4.165 163 HZ3 LYS 26 HZ3 LYS 26 7.039 -2.157 2.496 164 H THR 27 H THR 27 5.114 -2.792 -1.445 165 HA THR 27 HA THR 27 5.330 -4.695 -3.556 166 HB THR 27 HB THR 27 6.617 -2.653 -4.503 167 HG1 THR 27 HG1 THR 27 6.936 -1.173 -2.963 168 HG21 THR 27 HG21 THR 27 3.700 -2.403 -3.722 169 HG22 THR 27 HG22 THR 27 4.305 -3.246 -5.147 170 HG23 THR 27 HG23 THR 27 4.497 -1.499 -5.008 171 H ILE 28 H ILE 28 7.829 -4.246 -4.566 172 HA ILE 28 HA ILE 28 9.539 -5.556 -2.635 173 HB ILE 28 HB ILE 28 10.188 -4.647 -5.467 174 HG12 ILE 28 HG12 ILE 28 8.370 -6.280 -5.513 175 HG13 ILE 28 HG11 ILE 28 9.845 -6.997 -6.141 176 HG21 ILE 28 HG21 ILE 28 11.643 -6.593 -3.677 177 HG22 ILE 28 HG22 ILE 28 12.190 -4.978 -4.121 178 HG23 ILE 28 HG23 ILE 28 12.058 -6.233 -5.354 179 HD11 ILE 28 HD11 ILE 28 8.684 -7.438 -3.392 180 HD12 ILE 28 HD12 ILE 28 10.182 -8.145 -3.995 181 HD13 ILE 28 HD13 ILE 28 8.643 -8.571 -4.743 182 H ALA 29 H ALA 29 9.345 -2.519 -4.367 183 HA ALA 29 HA ALA 29 11.597 -1.405 -2.935 184 HB1 ALA 29 HB1 ALA 29 11.307 -0.866 -5.322 185 HB2 ALA 29 HB2 ALA 29 11.211 0.575 -4.316 186 HB3 ALA 29 HB3 ALA 29 9.739 -0.150 -4.955 187 HA PRO 30 HA PRO 30 8.837 0.353 0.071 188 HB2 PRO 30 HB2 PRO 30 10.621 1.893 1.369 189 HB3 PRO 30 HB1 PRO 30 10.573 0.137 1.570 190 HG2 PRO 30 HG2 PRO 30 12.456 1.818 -0.010 191 HG3 PRO 30 HG1 PRO 30 12.763 0.315 0.875 192 HD2 PRO 30 HD2 PRO 30 12.413 0.506 -1.868 193 HD3 PRO 30 HD1 PRO 30 12.208 -0.973 -0.909 194 H CYS 31 H CYS 31 7.426 1.742 -0.811 195 HA CYS 31 HA CYS 31 8.101 4.000 -2.363 196 HB2 CYS 31 HB2 CYS 31 5.663 4.522 -2.088 197 HB3 CYS 31 HB1 CYS 31 5.995 2.891 -2.672 198 H LYS 32 H LYS 32 7.590 3.472 1.009 199 HA LYS 32 HA LYS 32 7.517 6.319 1.580 200 HB2 LYS 32 HB2 LYS 32 7.200 3.959 3.440 201 HB3 LYS 32 HB1 LYS 32 6.920 5.646 3.845 202 HG2 LYS 32 HG2 LYS 32 5.082 5.709 2.205 203 HG3 LYS 32 HG1 LYS 32 5.339 3.993 1.886 204 HD2 LYS 32 HD2 LYS 32 4.886 3.513 4.254 205 HD3 LYS 32 HD1 LYS 32 4.585 5.232 4.519 206 HE2 LYS 32 HE2 LYS 32 2.766 5.115 2.836 207 HE3 LYS 32 HE1 LYS 32 3.020 3.372 2.735 208 HZ1 LYS 32 HZ1 LYS 32 2.228 4.902 5.132 209 HZ2 LYS 32 HZ2 LYS 32 2.539 3.259 5.147 210 HZ3 LYS 32 HZ3 LYS 32 1.219 3.870 4.267 Start of MODEL 2 1 H1 CYS 1 HT1 CYS 1 -7.018 5.197 6.744 2 H2 CYS 1 HT2 CYS 1 -5.631 5.965 7.359 3 H3 CYS 1 HT3 CYS 1 -6.064 4.406 7.870 4 HA CYS 1 HA CYS 1 -5.316 5.103 5.125 5 HB2 CYS 1 HB2 CYS 1 -3.273 3.783 5.624 6 HB3 CYS 1 HB1 CYS 1 -3.394 5.232 6.615 7 H ALA 2 H ALA 2 -5.252 3.295 3.734 8 HA ALA 2 HA ALA 2 -7.223 1.300 4.382 9 HB1 ALA 2 HB1 ALA 2 -5.599 1.751 1.879 10 HB2 ALA 2 HB2 ALA 2 -7.214 2.387 2.191 11 HB3 ALA 2 HB3 ALA 2 -6.967 0.649 2.037 12 H VAL 3 H VAL 3 -6.828 -0.865 4.588 13 HA VAL 3 HA VAL 3 -4.087 -1.497 5.328 14 HB VAL 3 HB VAL 3 -4.967 -3.532 6.347 15 HG11 VAL 3 HG11 VAL 3 -4.967 -1.499 7.665 16 HG12 VAL 3 HG12 VAL 3 -6.318 -2.537 8.105 17 HG13 VAL 3 3HG1 VAL 3 -6.592 -1.113 7.096 18 HG21 VAL 3 HG21 VAL 3 -6.747 -4.074 4.792 19 HG22 VAL 3 HG22 VAL 3 -7.632 -2.634 5.257 20 HG23 VAL 3 HG23 VAL 3 -7.425 -3.951 6.421 21 H THR 4 H THR 4 -3.774 -4.083 4.914 22 HA THR 4 HA THR 4 -2.975 -4.292 2.278 23 HB THR 4 HB THR 4 -3.589 -6.621 4.100 24 HG1 THR 4 HG1 THR 4 -1.361 -6.169 4.820 25 HG21 THR 4 HG21 THR 4 -1.588 -7.565 3.006 26 HG22 THR 4 HG22 THR 4 -1.426 -6.082 2.057 27 HG23 THR 4 HG23 THR 4 -2.820 -7.129 1.815 28 H HIS 5 H HIS 5 -4.025 -4.805 0.486 29 HA HIS 5 HA HIS 5 -5.405 -5.662 -0.991 30 HB2 HIS 5 HB2 HIS 5 -6.646 -7.234 1.274 31 HB3 HIS 5 HB1 HIS 5 -7.204 -7.351 -0.392 32 HD1 HIS 5 HD1 HIS 5 -5.146 -9.184 1.832 33 HD2 HIS 5 HD2 HIS 5 -4.750 -7.967 -2.125 34 HE1 HIS 5 HE1 HIS 5 -3.390 -10.661 0.810 35 H GLU 6 H GLU 6 -6.278 -3.445 1.215 36 HA GLU 6 HA GLU 6 -8.900 -3.033 0.055 37 HB2 GLU 6 HB2 GLU 6 -7.263 -1.409 2.003 38 HB3 GLU 6 HB1 GLU 6 -8.775 -0.805 1.321 39 HG2 GLU 6 HG2 GLU 6 -9.797 -2.906 2.332 40 HG3 GLU 6 HG1 GLU 6 -8.272 -3.066 3.209 41 H LYS 7 H LYS 7 -9.378 -1.197 -1.226 42 HA LYS 7 HA LYS 7 -7.604 -0.699 -3.324 43 HB2 LYS 7 HB2 LYS 7 -9.134 1.135 -3.953 44 HB3 LYS 7 HB1 LYS 7 -9.969 -0.371 -3.607 45 HG2 LYS 7 HG2 LYS 7 -10.552 0.465 -1.389 46 HG3 LYS 7 HG1 LYS 7 -9.710 1.969 -1.745 47 HD2 LYS 7 HD2 LYS 7 -11.229 2.432 -3.550 48 HD3 LYS 7 HD1 LYS 7 -12.042 0.884 -3.297 49 HE2 LYS 7 HE2 LYS 7 -13.323 2.654 -2.270 50 HE3 LYS 7 HE1 LYS 7 -12.620 1.568 -1.061 51 HZ1 LYS 7 HZ1 LYS 7 -10.931 3.172 -0.583 52 HZ2 LYS 7 HZ2 LYS 7 -12.432 3.920 -0.448 53 HZ3 LYS 7 HZ3 LYS 7 -11.476 4.195 -1.811 54 H CYS 8 H CYS 8 -6.284 1.117 -3.849 55 HA CYS 8 HA CYS 8 -5.656 2.783 -1.516 56 HB2 CYS 8 HB2 CYS 8 -3.355 2.924 -2.393 57 HB3 CYS 8 HB1 CYS 8 -3.823 1.277 -1.993 58 H SER 9 H SER 9 -5.596 4.922 -1.773 59 HA SER 9 HA SER 9 -6.428 6.013 -4.325 60 HB2 SER 9 HB2 SER 9 -5.707 7.515 -1.806 61 HB3 SER 9 HB1 SER 9 -6.804 8.017 -3.099 62 HG SER 9 HG SER 9 -7.145 6.092 -1.091 63 H ASP 10 H ASP 10 -3.615 5.881 -2.211 64 HA ASP 10 HA ASP 10 -1.784 6.305 -4.269 65 HB2 ASP 10 HB2 ASP 10 -0.651 8.278 -3.305 66 HB3 ASP 10 HB1 ASP 10 -2.265 8.701 -3.855 67 H ASP 11 H ASP 11 0.477 6.386 -3.080 68 HA ASP 11 HA ASP 11 0.647 3.975 -1.613 69 HB2 ASP 11 HB2 ASP 11 2.714 6.175 -1.797 70 HB3 ASP 11 HB1 ASP 11 3.011 4.565 -1.166 71 H TYR 12 H TYR 12 0.445 7.285 -0.562 72 HA TYR 12 HA TYR 12 1.190 6.589 2.144 73 HB2 TYR 12 HB2 TYR 12 0.498 9.275 0.930 74 HB3 TYR 12 HB1 TYR 12 1.183 9.006 2.533 75 HD1 TYR 12 HD1 TYR 12 3.508 8.136 2.754 76 HD2 TYR 12 HD2 TYR 12 1.890 9.248 -1.018 77 HE1 TYR 12 HE1 TYR 12 5.772 8.169 1.794 78 HE2 TYR 12 HE2 TYR 12 4.148 9.283 -1.985 79 HH TYR 12 HH TYR 12 6.783 7.881 -0.531 80 H ASP 13 H ASP 13 -1.438 6.283 0.421 81 HA ASP 13 HA ASP 13 -3.418 7.045 2.432 82 HB2 ASP 13 HB2 ASP 13 -3.961 7.386 0.055 83 HB3 ASP 13 HB1 ASP 13 -3.641 5.698 -0.276 84 H CYS 14 H CYS 14 -1.394 4.503 1.653 85 HA CYS 14 HA CYS 14 -3.051 2.407 2.805 86 HB2 CYS 14 HB2 CYS 14 -0.295 2.313 1.571 87 HB3 CYS 14 HB1 CYS 14 -1.254 0.922 2.079 88 H CYS 15 H CYS 15 -2.414 1.239 4.620 89 HA CYS 15 HA CYS 15 -1.082 2.714 6.671 90 HB2 CYS 15 HB2 CYS 15 -1.970 -0.166 6.655 91 HB3 CYS 15 HB1 CYS 15 -1.529 0.772 8.073 92 H GLY 16 H GLY 16 0.812 2.220 7.764 93 HA2 GLY 16 HA2 GLY 16 2.904 1.446 8.167 94 HA3 GLY 16 HA1 GLY 16 2.303 -0.098 7.596 95 H SER 17 H SER 17 3.851 -0.869 6.331 96 HA SER 17 HA SER 17 5.382 0.895 4.625 97 HB2 SER 17 HB2 SER 17 6.694 -1.235 4.278 98 HB3 SER 17 HB1 SER 17 6.641 -0.635 5.937 99 HG SER 17 HG SER 17 5.910 -2.530 6.409 100 H LEU 18 H LEU 18 2.476 -0.075 4.093 101 HA LEU 18 HA LEU 18 2.707 -1.725 1.741 102 HB2 LEU 18 HB2 LEU 18 0.362 -0.164 2.786 103 HB3 LEU 18 HB1 LEU 18 0.301 -1.336 1.488 104 HG LEU 18 HG LEU 18 0.886 -1.909 4.390 105 HD11 LEU 18 HD11 LEU 18 -1.412 -1.305 3.993 106 HD12 LEU 18 HD12 LEU 18 -1.287 -3.043 4.296 107 HD13 LEU 18 HD13 LEU 18 -1.496 -2.444 2.652 108 HD21 LEU 18 HD21 LEU 18 0.574 -3.792 2.051 109 HD22 LEU 18 HD22 LEU 18 0.723 -4.266 3.743 110 HD23 LEU 18 HD23 LEU 18 2.069 -3.469 2.929 111 H CYS 19 H CYS 19 2.206 -1.101 -0.350 112 HA CYS 19 HA CYS 19 2.358 1.759 -0.885 113 HB2 CYS 19 HB2 CYS 19 3.721 -0.506 -2.352 114 HB3 CYS 19 HB1 CYS 19 3.670 1.157 -2.929 115 H CYS 20 H CYS 20 1.588 2.179 -3.213 116 HA CYS 20 HA CYS 20 -1.023 0.893 -3.335 117 HB2 CYS 20 HB2 CYS 20 -0.942 3.314 -3.076 118 HB3 CYS 20 HB1 CYS 20 0.010 3.450 -4.544 119 H VAL 21 H VAL 21 -1.273 -0.648 -4.733 120 HA VAL 21 HA VAL 21 -0.435 -0.205 -7.444 121 HB VAL 21 HB VAL 21 1.364 -1.622 -6.550 122 HG11 VAL 21 HG11 VAL 21 -0.738 -3.604 -5.744 123 HG12 VAL 21 HG12 VAL 21 0.296 -2.651 -4.680 124 HG13 VAL 21 3HG1 VAL 21 1.004 -3.891 -5.716 125 HG21 VAL 21 HG21 VAL 21 0.783 -2.029 -8.863 126 HG22 VAL 21 HG22 VAL 21 -0.454 -3.188 -8.380 127 HG23 VAL 21 HG23 VAL 21 1.249 -3.550 -8.099 128 H GLY 22 H GLY 22 -2.680 0.464 -7.146 129 HA2 GLY 22 HA2 GLY 22 -4.865 0.086 -7.904 130 HA3 GLY 22 HA1 GLY 22 -4.538 -1.650 -7.918 131 H ILE 23 H ILE 23 -3.691 -2.180 -5.566 132 HA ILE 23 HA ILE 23 -5.583 -1.243 -3.542 133 HB ILE 23 HB ILE 23 -5.483 -3.557 -2.587 134 HG12 ILE 23 HG12 ILE 23 -4.156 -4.272 -5.222 135 HG13 ILE 23 HG11 ILE 23 -3.355 -4.233 -3.658 136 HG21 ILE 23 HG21 ILE 23 -7.421 -2.923 -3.903 137 HG22 ILE 23 HG22 ILE 23 -7.027 -4.619 -4.188 138 HG23 ILE 23 HG23 ILE 23 -6.596 -3.401 -5.388 139 HD11 ILE 23 HD11 ILE 23 -5.589 -6.076 -4.462 140 HD12 ILE 23 HD12 ILE 23 -4.790 -6.044 -2.889 141 HD13 ILE 23 HD13 ILE 23 -3.881 -6.499 -4.331 142 H CYS 24 H CYS 24 -4.624 -1.660 -1.349 143 HA CYS 24 HA CYS 24 -1.873 -0.872 -1.293 144 HB2 CYS 24 HB2 CYS 24 -3.763 -1.618 0.943 145 HB3 CYS 24 HB1 CYS 24 -2.164 -0.922 1.154 146 H ALA 25 H ALA 25 -0.269 -2.212 -1.462 147 HA ALA 25 HA ALA 25 -0.468 -4.865 -0.270 148 HB1 ALA 25 HB1 ALA 25 -1.041 -5.154 -2.636 149 HB2 ALA 25 HB2 ALA 25 0.521 -5.890 -2.272 150 HB3 ALA 25 HB3 ALA 25 0.451 -4.336 -3.100 151 H LYS 26 H LYS 26 1.635 -5.819 0.016 152 HA LYS 26 HA LYS 26 3.578 -3.776 0.671 153 HB2 LYS 26 HB2 LYS 26 3.008 -5.410 2.401 154 HB3 LYS 26 HB1 LYS 26 3.472 -6.725 1.339 155 HG2 LYS 26 HG2 LYS 26 5.169 -6.274 3.041 156 HG3 LYS 26 HG1 LYS 26 5.785 -6.007 1.409 157 HD2 LYS 26 HD2 LYS 26 5.446 -3.596 1.682 158 HD3 LYS 26 HD1 LYS 26 4.829 -3.868 3.314 159 HE2 LYS 26 HE2 LYS 26 7.181 -3.161 3.314 160 HE3 LYS 26 HE1 LYS 26 6.971 -4.767 3.996 161 HZ1 LYS 26 HZ1 LYS 26 8.873 -4.610 2.469 162 HZ2 LYS 26 HZ2 LYS 26 7.840 -4.254 1.187 163 HZ3 LYS 26 HZ3 LYS 26 7.743 -5.735 1.960 164 H THR 27 H THR 27 4.941 -3.229 -0.902 165 HA THR 27 HA THR 27 5.798 -5.156 -2.877 166 HB THR 27 HB THR 27 6.836 -2.990 -3.799 167 HG1 THR 27 HG1 THR 27 6.625 -1.274 -2.567 168 HG21 THR 27 HG21 THR 27 4.717 -3.936 -4.666 169 HG22 THR 27 HG22 THR 27 4.672 -2.173 -4.647 170 HG23 THR 27 HG23 THR 27 3.833 -3.090 -3.398 171 H ILE 28 H ILE 28 8.176 -5.171 -3.382 172 HA ILE 28 HA ILE 28 9.774 -5.432 -1.014 173 HB ILE 28 HB ILE 28 10.619 -5.533 -3.941 174 HG12 ILE 28 HG12 ILE 28 9.942 -7.786 -2.034 175 HG13 ILE 28 HG11 ILE 28 8.950 -7.245 -3.384 176 HG21 ILE 28 HG21 ILE 28 12.079 -6.477 -1.465 177 HG22 ILE 28 HG22 ILE 28 12.518 -5.099 -2.474 178 HG23 ILE 28 HG23 ILE 28 12.610 -6.735 -3.127 179 HD11 ILE 28 HD11 ILE 28 10.695 -7.941 -4.938 180 HD12 ILE 28 HD12 ILE 28 10.158 -9.280 -3.923 181 HD13 ILE 28 HD13 ILE 28 11.690 -8.475 -3.584 182 H ALA 29 H ALA 29 9.372 -3.147 -3.605 183 HA ALA 29 HA ALA 29 11.541 -1.468 -2.710 184 HB1 ALA 29 HB1 ALA 29 9.465 -1.036 -4.856 185 HB2 ALA 29 HB2 ALA 29 11.081 -1.697 -5.100 186 HB3 ALA 29 HB3 ALA 29 10.882 -0.026 -4.570 187 HA PRO 30 HA PRO 30 8.638 0.544 0.128 188 HB2 PRO 30 HB2 PRO 30 10.909 2.231 0.815 189 HB3 PRO 30 HB1 PRO 30 10.016 1.113 1.843 190 HG2 PRO 30 HG2 PRO 30 12.558 0.637 1.050 191 HG3 PRO 30 HG1 PRO 30 11.390 -0.657 1.350 192 HD2 PRO 30 HD2 PRO 30 12.320 0.496 -1.239 193 HD3 PRO 30 HD1 PRO 30 11.943 -1.187 -0.805 194 H CYS 31 H CYS 31 7.299 2.005 -0.597 195 HA CYS 31 HA CYS 31 8.108 4.072 -2.457 196 HB2 CYS 31 HB2 CYS 31 5.641 4.515 -2.456 197 HB3 CYS 31 HB1 CYS 31 6.088 2.870 -2.922 198 H LYS 32 H LYS 32 7.706 3.732 0.891 199 HA LYS 32 HA LYS 32 7.251 6.595 1.226 200 HB2 LYS 32 HB2 LYS 32 7.044 4.389 3.280 201 HB3 LYS 32 HB1 LYS 32 6.646 6.080 3.521 202 HG2 LYS 32 HG2 LYS 32 4.838 5.876 1.887 203 HG3 LYS 32 HG1 LYS 32 5.229 4.164 1.690 204 HD2 LYS 32 HD2 LYS 32 4.805 3.808 4.071 205 HD3 LYS 32 HD1 LYS 32 4.389 5.513 4.243 206 HE2 LYS 32 HE2 LYS 32 2.577 5.198 2.616 207 HE3 LYS 32 HE1 LYS 32 2.967 3.480 2.544 208 HZ1 LYS 32 HZ1 LYS 32 1.158 3.885 4.113 209 HZ2 LYS 32 HZ2 LYS 32 2.140 4.954 4.969 210 HZ3 LYS 32 HZ3 LYS 32 2.548 3.338 4.910 Start of MODEL 3 1 H1 CYS 1 HT1 CYS 1 -6.530 4.427 7.761 2 H2 CYS 1 HT2 CYS 1 -7.561 5.213 6.698 3 H3 CYS 1 HT3 CYS 1 -6.189 6.018 7.293 4 HA CYS 1 HA CYS 1 -5.872 5.291 5.047 5 HB2 CYS 1 HB2 CYS 1 -3.799 3.911 5.463 6 HB3 CYS 1 HB1 CYS 1 -3.894 5.387 6.412 7 H ALA 2 H ALA 2 -5.365 3.332 3.695 8 HA ALA 2 HA ALA 2 -7.450 1.354 4.076 9 HB1 ALA 2 HB1 ALA 2 -7.240 2.443 1.891 10 HB2 ALA 2 HB2 ALA 2 -6.920 0.715 1.767 11 HB3 ALA 2 HB3 ALA 2 -5.582 1.863 1.757 12 H VAL 3 H VAL 3 -7.037 -0.742 4.444 13 HA VAL 3 HA VAL 3 -4.336 -1.292 5.383 14 HB VAL 3 HB VAL 3 -5.273 -3.299 6.444 15 HG11 VAL 3 HG11 VAL 3 -6.694 -2.191 8.103 16 HG12 VAL 3 HG12 VAL 3 -6.837 -0.797 7.031 17 HG13 VAL 3 3HG1 VAL 3 -5.267 -1.235 7.701 18 HG21 VAL 3 HG21 VAL 3 -7.741 -3.649 6.453 19 HG22 VAL 3 HG22 VAL 3 -6.993 -3.874 4.867 20 HG23 VAL 3 HG23 VAL 3 -7.871 -2.395 5.209 21 H THR 4 H THR 4 -3.951 -3.896 5.134 22 HA THR 4 HA THR 4 -3.014 -4.215 2.578 23 HB THR 4 HB THR 4 -3.711 -6.443 4.511 24 HG1 THR 4 HG1 THR 4 -1.177 -5.716 4.742 25 HG21 THR 4 HG21 THR 4 -1.755 -7.542 3.487 26 HG22 THR 4 HG22 THR 4 -1.531 -6.149 2.426 27 HG23 THR 4 HG23 THR 4 -2.967 -7.157 2.262 28 H HIS 5 H HIS 5 -3.857 -4.813 0.748 29 HA HIS 5 HA HIS 5 -5.087 -5.684 -0.857 30 HB2 HIS 5 HB2 HIS 5 -6.529 -7.200 1.311 31 HB3 HIS 5 HB1 HIS 5 -6.960 -7.339 -0.388 32 HD1 HIS 5 HD1 HIS 5 -4.939 -8.955 2.080 33 HD2 HIS 5 HD2 HIS 5 -4.551 -8.159 -1.971 34 HE1 HIS 5 HE1 HIS 5 -3.181 -10.538 1.222 35 H GLU 6 H GLU 6 -6.233 -3.439 1.218 36 HA GLU 6 HA GLU 6 -8.799 -3.192 -0.084 37 HB2 GLU 6 HB2 GLU 6 -7.356 -1.401 1.865 38 HB3 GLU 6 HB1 GLU 6 -8.904 -0.968 1.133 39 HG2 GLU 6 HG2 GLU 6 -9.728 -3.135 2.161 40 HG3 GLU 6 HG1 GLU 6 -8.216 -3.128 3.070 41 H LYS 7 H LYS 7 -9.380 -1.335 -1.357 42 HA LYS 7 HA LYS 7 -7.445 -0.769 -3.346 43 HB2 LYS 7 HB2 LYS 7 -10.169 0.423 -2.822 44 HB3 LYS 7 HB1 LYS 7 -9.179 0.829 -4.217 45 HG2 LYS 7 HG2 LYS 7 -9.232 -1.525 -4.923 46 HG3 LYS 7 HG1 LYS 7 -10.246 -1.900 -3.538 47 HD2 LYS 7 HD2 LYS 7 -12.012 -0.507 -4.352 48 HD3 LYS 7 HD1 LYS 7 -10.989 0.120 -5.641 49 HE2 LYS 7 HE2 LYS 7 -11.819 -2.771 -5.362 50 HE3 LYS 7 HE1 LYS 7 -12.621 -1.598 -6.408 51 HZ1 LYS 7 HZ1 LYS 7 -10.545 -1.324 -7.612 52 HZ2 LYS 7 HZ2 LYS 7 -11.038 -2.925 -7.655 53 HZ3 LYS 7 HZ3 LYS 7 -9.774 -2.462 -6.649 54 H CYS 8 H CYS 8 -6.338 1.110 -3.792 55 HA CYS 8 HA CYS 8 -6.075 2.872 -1.451 56 HB2 CYS 8 HB2 CYS 8 -3.716 3.123 -2.202 57 HB3 CYS 8 HB1 CYS 8 -4.149 1.505 -1.660 58 H SER 9 H SER 9 -5.860 5.033 -1.762 59 HA SER 9 HA SER 9 -6.492 6.035 -4.404 60 HB2 SER 9 HB2 SER 9 -7.670 6.899 -2.366 61 HB3 SER 9 HB1 SER 9 -6.129 7.519 -1.783 62 HG SER 9 HG SER 9 -6.083 8.980 -3.400 63 H ASP 10 H ASP 10 -3.848 5.864 -2.080 64 HA ASP 10 HA ASP 10 -1.928 6.476 -4.048 65 HB2 ASP 10 HB2 ASP 10 -0.914 8.401 -2.921 66 HB3 ASP 10 HB1 ASP 10 -2.549 8.800 -3.431 67 H ASP 11 H ASP 11 0.285 6.613 -2.759 68 HA ASP 11 HA ASP 11 0.475 4.055 -1.517 69 HB2 ASP 11 HB2 ASP 11 2.576 6.225 -1.738 70 HB3 ASP 11 HB1 ASP 11 2.885 4.593 -1.169 71 H TYR 12 H TYR 12 0.372 7.308 -0.242 72 HA TYR 12 HA TYR 12 1.144 6.421 2.403 73 HB2 TYR 12 HB2 TYR 12 0.200 9.121 1.425 74 HB3 TYR 12 HB1 TYR 12 0.820 8.771 3.029 75 HD1 TYR 12 HD1 TYR 12 1.731 9.147 -0.520 76 HD2 TYR 12 HD2 TYR 12 3.177 8.551 3.428 77 HE1 TYR 12 HE1 TYR 12 3.998 9.693 -1.278 78 HE2 TYR 12 HE2 TYR 12 5.456 9.095 2.678 79 HH TYR 12 HH TYR 12 6.041 10.464 -0.407 80 H ASP 13 H ASP 13 -1.542 6.421 0.540 81 HA ASP 13 HA ASP 13 -3.527 6.871 2.547 82 HB2 ASP 13 HB2 ASP 13 -3.989 7.356 0.202 83 HB3 ASP 13 HB1 ASP 13 -3.659 5.690 -0.224 84 H CYS 14 H CYS 14 -1.532 4.348 1.540 85 HA CYS 14 HA CYS 14 -3.163 2.269 2.724 86 HB2 CYS 14 HB2 CYS 14 -0.411 2.188 1.493 87 HB3 CYS 14 HB1 CYS 14 -1.356 0.797 2.035 88 H CYS 15 H CYS 15 -2.792 1.367 4.658 89 HA CYS 15 HA CYS 15 -1.466 2.811 6.660 90 HB2 CYS 15 HB2 CYS 15 -2.404 -0.051 6.693 91 HB3 CYS 15 HB1 CYS 15 -2.009 0.915 8.111 92 H GLY 16 H GLY 16 0.382 2.452 7.787 93 HA2 GLY 16 HA2 GLY 16 2.433 1.663 8.351 94 HA3 GLY 16 HA1 GLY 16 1.992 0.146 7.586 95 H SER 17 H SER 17 3.583 -0.373 6.264 96 HA SER 17 HA SER 17 4.876 1.747 4.747 97 HB2 SER 17 HB2 SER 17 6.642 -0.060 4.426 98 HB3 SER 17 HB1 SER 17 6.439 0.550 6.069 99 HG SER 17 HG SER 17 5.480 -1.275 6.671 100 H LEU 18 H LEU 18 2.290 0.023 4.255 101 HA LEU 18 HA LEU 18 2.775 -1.442 1.877 102 HB2 LEU 18 HB2 LEU 18 0.256 -0.086 2.788 103 HB3 LEU 18 HB1 LEU 18 0.348 -1.258 1.490 104 HG LEU 18 HG LEU 18 0.785 -1.744 4.430 105 HD11 LEU 18 HD11 LEU 18 -1.370 -2.620 2.531 106 HD12 LEU 18 HD12 LEU 18 -1.527 -1.420 3.815 107 HD13 LEU 18 HD13 LEU 18 -1.229 -3.112 4.217 108 HD21 LEU 18 HD21 LEU 18 2.265 -3.194 3.187 109 HD22 LEU 18 HD22 LEU 18 0.958 -3.646 2.100 110 HD23 LEU 18 HD23 LEU 18 0.905 -4.142 3.790 111 H CYS 19 H CYS 19 2.106 -0.884 -0.278 112 HA CYS 19 HA CYS 19 2.308 1.967 -0.870 113 HB2 CYS 19 HB2 CYS 19 3.444 -0.403 -2.385 114 HB3 CYS 19 HB1 CYS 19 3.468 1.262 -2.952 115 H CYS 20 H CYS 20 1.414 2.312 -3.160 116 HA CYS 20 HA CYS 20 -1.166 0.945 -3.222 117 HB2 CYS 20 HB2 CYS 20 -1.093 3.414 -2.995 118 HB3 CYS 20 HB1 CYS 20 -0.252 3.506 -4.534 119 H VAL 21 H VAL 21 -1.313 -0.634 -4.630 120 HA VAL 21 HA VAL 21 -0.192 -0.332 -7.312 121 HB VAL 21 HB VAL 21 0.387 -2.820 -7.294 122 HG11 VAL 21 HG11 VAL 21 1.922 -1.105 -5.345 123 HG12 VAL 21 HG12 VAL 21 2.154 -1.159 -7.091 124 HG13 VAL 21 3HG1 VAL 21 2.525 -2.576 -6.108 125 HG21 VAL 21 HG21 VAL 21 0.078 -2.523 -4.297 126 HG22 VAL 21 HG22 VAL 21 0.756 -3.928 -5.123 127 HG23 VAL 21 HG23 VAL 21 -0.942 -3.504 -5.349 128 H GLY 22 H GLY 22 -2.631 0.351 -6.772 129 HA2 GLY 22 HA2 GLY 22 -4.761 -0.077 -7.686 130 HA3 GLY 22 HA1 GLY 22 -4.361 -1.800 -7.744 131 H ILE 23 H ILE 23 -3.506 -2.413 -5.465 132 HA ILE 23 HA ILE 23 -5.431 -1.573 -3.438 133 HB ILE 23 HB ILE 23 -5.241 -3.865 -2.475 134 HG12 ILE 23 HG12 ILE 23 -3.898 -4.560 -5.106 135 HG13 ILE 23 HG11 ILE 23 -3.082 -4.465 -3.552 136 HG21 ILE 23 HG21 ILE 23 -6.341 -3.743 -5.279 137 HG22 ILE 23 HG22 ILE 23 -7.183 -3.286 -3.797 138 HG23 ILE 23 HG23 ILE 23 -6.741 -4.970 -4.076 139 HD11 ILE 23 HD11 ILE 23 -3.541 -6.764 -4.172 140 HD12 ILE 23 HD12 ILE 23 -5.266 -6.399 -4.288 141 HD13 ILE 23 HD13 ILE 23 -4.444 -6.301 -2.731 142 H CYS 24 H CYS 24 -4.549 -1.983 -1.261 143 HA CYS 24 HA CYS 24 -1.888 -0.973 -1.104 144 HB2 CYS 24 HB2 CYS 24 -3.856 -1.760 1.027 145 HB3 CYS 24 HB1 CYS 24 -2.292 -1.013 1.338 146 H ALA 25 H ALA 25 -0.216 -2.160 -1.315 147 HA ALA 25 HA ALA 25 0.186 -4.503 0.315 148 HB1 ALA 25 HB1 ALA 25 0.398 -4.583 -2.707 149 HB2 ALA 25 HB2 ALA 25 -0.771 -5.471 -1.731 150 HB3 ALA 25 HB3 ALA 25 0.947 -5.855 -1.616 151 H LYS 26 H LYS 26 2.419 -4.698 0.748 152 HA LYS 26 HA LYS 26 3.952 -2.415 -0.093 153 HB2 LYS 26 HB2 LYS 26 4.112 -3.020 2.256 154 HB3 LYS 26 HB1 LYS 26 4.605 -4.651 1.830 155 HG2 LYS 26 HG2 LYS 26 6.742 -3.942 1.153 156 HG3 LYS 26 HG1 LYS 26 6.247 -2.252 1.080 157 HD2 LYS 26 HD2 LYS 26 7.647 -2.800 3.066 158 HD3 LYS 26 HD1 LYS 26 6.068 -2.136 3.471 159 HE2 LYS 26 HE2 LYS 26 5.254 -4.442 3.867 160 HE3 LYS 26 HE1 LYS 26 6.884 -5.039 3.561 161 HZ1 LYS 26 HZ1 LYS 26 6.365 -4.756 5.939 162 HZ2 LYS 26 HZ2 LYS 26 6.178 -3.099 5.700 163 HZ3 LYS 26 HZ3 LYS 26 7.675 -3.814 5.461 164 H THR 27 H THR 27 5.598 -2.383 -1.455 165 HA THR 27 HA THR 27 5.735 -4.491 -3.331 166 HB THR 27 HB THR 27 7.321 -2.751 -4.346 167 HG1 THR 27 HG1 THR 27 7.722 -1.102 -3.059 168 HG21 THR 27 HG21 THR 27 4.984 -3.071 -5.083 169 HG22 THR 27 HG22 THR 27 5.409 -1.360 -5.069 170 HG23 THR 27 HG23 THR 27 4.432 -2.037 -3.767 171 H ILE 28 H ILE 28 8.035 -4.827 -4.259 172 HA ILE 28 HA ILE 28 9.680 -6.104 -2.354 173 HB ILE 28 HB ILE 28 10.328 -5.261 -5.203 174 HG12 ILE 28 HG12 ILE 28 9.277 -7.910 -4.170 175 HG13 ILE 28 HG11 ILE 28 8.317 -6.717 -5.030 176 HG21 ILE 28 HG21 ILE 28 12.018 -7.055 -5.111 177 HG22 ILE 28 HG22 ILE 28 11.633 -7.305 -3.406 178 HG23 ILE 28 HG23 ILE 28 12.331 -5.777 -3.938 179 HD11 ILE 28 HD11 ILE 28 8.983 -8.539 -6.487 180 HD12 ILE 28 HD12 ILE 28 10.682 -8.223 -6.130 181 HD13 ILE 28 HD13 ILE 28 9.728 -7.027 -7.007 182 H ALA 29 H ALA 29 10.030 -3.126 -4.254 183 HA ALA 29 HA ALA 29 12.096 -2.247 -2.405 184 HB1 ALA 29 HB1 ALA 29 12.649 -2.139 -4.797 185 HB2 ALA 29 HB2 ALA 29 12.593 -0.538 -4.064 186 HB3 ALA 29 HB3 ALA 29 11.255 -1.089 -5.069 187 HA PRO 30 HA PRO 30 8.815 -0.110 -0.207 188 HB2 PRO 30 HB2 PRO 30 11.207 1.440 0.673 189 HB3 PRO 30 HB1 PRO 30 9.900 0.746 1.637 190 HG2 PRO 30 HG2 PRO 30 12.263 -0.442 1.554 191 HG3 PRO 30 HG1 PRO 30 10.764 -1.390 1.521 192 HD2 PRO 30 HD2 PRO 30 12.654 -0.776 -0.702 193 HD3 PRO 30 HD1 PRO 30 11.695 -2.234 -0.396 194 H CYS 31 H CYS 31 7.620 1.602 -0.713 195 HA CYS 31 HA CYS 31 8.710 3.659 -2.492 196 HB2 CYS 31 HB2 CYS 31 6.352 4.211 -2.892 197 HB3 CYS 31 HB1 CYS 31 6.621 2.486 -3.128 198 H LYS 32 H LYS 32 7.897 2.982 0.677 199 HA LYS 32 HA LYS 32 7.927 5.773 1.517 200 HB2 LYS 32 HB2 LYS 32 6.169 3.515 2.509 201 HB3 LYS 32 HB1 LYS 32 6.335 5.066 3.318 202 HG2 LYS 32 HG2 LYS 32 5.179 6.204 1.674 203 HG3 LYS 32 HG1 LYS 32 5.509 4.976 0.453 204 HD2 LYS 32 HD2 LYS 32 3.169 4.920 1.113 205 HD3 LYS 32 HD1 LYS 32 3.992 3.441 1.593 206 HE2 LYS 32 HE2 LYS 32 4.172 4.306 3.877 207 HE3 LYS 32 HE1 LYS 32 3.309 5.766 3.378 208 HZ1 LYS 32 HZ1 LYS 32 1.820 4.148 4.399 209 HZ2 LYS 32 HZ2 LYS 32 2.239 3.006 3.223 210 HZ3 LYS 32 HZ3 LYS 32 1.406 4.379 2.777 Start of MODEL 4 1 H1 CYS 1 HT1 CYS 1 -6.241 4.663 7.627 2 H2 CYS 1 HT2 CYS 1 -7.179 5.393 6.440 3 H3 CYS 1 HT3 CYS 1 -5.808 6.201 7.064 4 HA CYS 1 HA CYS 1 -5.385 5.268 4.902 5 HB2 CYS 1 HB2 CYS 1 -3.399 3.907 5.517 6 HB3 CYS 1 HB1 CYS 1 -3.513 5.391 6.446 7 H ALA 2 H ALA 2 -5.228 3.425 3.563 8 HA ALA 2 HA ALA 2 -7.256 1.453 4.151 9 HB1 ALA 2 HB1 ALA 2 -5.542 1.848 1.694 10 HB2 ALA 2 HB2 ALA 2 -7.166 2.492 1.926 11 HB3 ALA 2 HB3 ALA 2 -6.915 0.750 1.825 12 H VAL 3 H VAL 3 -6.874 -0.690 4.449 13 HA VAL 3 HA VAL 3 -4.144 -1.301 5.267 14 HB VAL 3 HB VAL 3 -5.056 -3.230 6.454 15 HG11 VAL 3 HG11 VAL 3 -6.523 -0.672 7.011 16 HG12 VAL 3 HG12 VAL 3 -4.957 -1.163 7.658 17 HG13 VAL 3 3HG1 VAL 3 -6.420 -2.035 8.119 18 HG21 VAL 3 HG21 VAL 3 -6.885 -3.851 5.003 19 HG22 VAL 3 HG22 VAL 3 -7.707 -2.340 5.338 20 HG23 VAL 3 HG23 VAL 3 -7.527 -3.543 6.623 21 H THR 4 H THR 4 -3.913 -3.933 5.081 22 HA THR 4 HA THR 4 -3.061 -4.384 2.509 23 HB THR 4 HB THR 4 -3.887 -6.525 4.483 24 HG1 THR 4 HG1 THR 4 -2.491 -5.516 5.711 25 HG21 THR 4 HG21 THR 4 -3.252 -7.313 2.254 26 HG22 THR 4 HG22 THR 4 -2.010 -7.751 3.437 27 HG23 THR 4 HG23 THR 4 -1.764 -6.379 2.348 28 H HIS 5 H HIS 5 -4.064 -4.876 0.702 29 HA HIS 5 HA HIS 5 -5.410 -5.728 -0.827 30 HB2 HIS 5 HB2 HIS 5 -6.830 -7.191 1.413 31 HB3 HIS 5 HB1 HIS 5 -7.232 -7.381 -0.288 32 HD1 HIS 5 HD1 HIS 5 -5.365 -9.062 2.233 33 HD2 HIS 5 HD2 HIS 5 -4.677 -8.163 -1.769 34 HE1 HIS 5 HE1 HIS 5 -3.589 -10.649 1.457 35 H GLU 6 H GLU 6 -6.345 -3.470 1.340 36 HA GLU 6 HA GLU 6 -8.925 -3.051 0.116 37 HB2 GLU 6 HB2 GLU 6 -7.313 -1.351 2.023 38 HB3 GLU 6 HB1 GLU 6 -8.861 -0.838 1.350 39 HG2 GLU 6 HG2 GLU 6 -9.781 -2.951 2.407 40 HG3 GLU 6 HG1 GLU 6 -8.241 -3.049 3.265 41 H LYS 7 H LYS 7 -9.372 -1.112 -1.088 42 HA LYS 7 HA LYS 7 -7.397 -0.838 -3.122 43 HB2 LYS 7 HB2 LYS 7 -10.082 0.502 -2.802 44 HB3 LYS 7 HB1 LYS 7 -9.070 0.590 -4.243 45 HG2 LYS 7 HG2 LYS 7 -9.214 -1.848 -4.483 46 HG3 LYS 7 HG1 LYS 7 -10.246 -1.912 -3.065 47 HD2 LYS 7 HD2 LYS 7 -11.917 -0.551 -4.202 48 HD3 LYS 7 HD1 LYS 7 -10.868 -0.441 -5.618 49 HE2 LYS 7 HE2 LYS 7 -12.036 -2.984 -4.480 50 HE3 LYS 7 HE1 LYS 7 -12.619 -2.136 -5.908 51 HZ1 LYS 7 HZ1 LYS 7 -10.434 -2.543 -6.942 52 HZ2 LYS 7 HZ2 LYS 7 -11.244 -3.967 -6.541 53 HZ3 LYS 7 HZ3 LYS 7 -9.969 -3.451 -5.585 54 H CYS 8 H CYS 8 -6.299 1.012 -3.729 55 HA CYS 8 HA CYS 8 -5.974 2.875 -1.488 56 HB2 CYS 8 HB2 CYS 8 -3.623 3.024 -2.239 57 HB3 CYS 8 HB1 CYS 8 -4.091 1.427 -1.663 58 H SER 9 H SER 9 -5.771 4.982 -1.905 59 HA SER 9 HA SER 9 -6.377 5.863 -4.621 60 HB2 SER 9 HB2 SER 9 -6.288 7.438 -2.037 61 HB3 SER 9 HB1 SER 9 -6.973 7.969 -3.577 62 HG SER 9 HG SER 9 -7.848 5.801 -1.986 63 H ASP 10 H ASP 10 -3.806 5.578 -2.359 64 HA ASP 10 HA ASP 10 -1.855 6.572 -4.151 65 HB2 ASP 10 HB2 ASP 10 -2.632 8.770 -3.280 66 HB3 ASP 10 HB1 ASP 10 -2.371 8.198 -1.634 67 H ASP 11 H ASP 11 0.310 6.434 -3.053 68 HA ASP 11 HA ASP 11 0.559 3.918 -1.768 69 HB2 ASP 11 HB2 ASP 11 2.583 6.123 -2.144 70 HB3 ASP 11 HB1 ASP 11 2.957 4.500 -1.573 71 H TYR 12 H TYR 12 0.701 7.250 -0.646 72 HA TYR 12 HA TYR 12 1.406 6.357 2.002 73 HB2 TYR 12 HB2 TYR 12 0.888 9.130 0.913 74 HB3 TYR 12 HB1 TYR 12 1.407 8.787 2.563 75 HD1 TYR 12 HD1 TYR 12 3.670 7.899 2.984 76 HD2 TYR 12 HD2 TYR 12 2.435 9.014 -0.925 77 HE1 TYR 12 HE1 TYR 12 6.012 7.898 2.249 78 HE2 TYR 12 HE2 TYR 12 4.776 9.015 -1.673 79 HH TYR 12 HH TYR 12 7.228 7.576 -0.022 80 H ASP 13 H ASP 13 -1.258 6.257 0.354 81 HA ASP 13 HA ASP 13 -3.183 7.078 2.364 82 HB2 ASP 13 HB2 ASP 13 -3.799 7.512 0.090 83 HB3 ASP 13 HB1 ASP 13 -3.351 5.897 -0.414 84 H CYS 14 H CYS 14 -1.304 4.390 1.539 85 HA CYS 14 HA CYS 14 -3.070 2.451 2.783 86 HB2 CYS 14 HB2 CYS 14 -0.331 2.149 1.546 87 HB3 CYS 14 HB1 CYS 14 -1.360 0.840 2.125 88 H CYS 15 H CYS 15 -2.511 1.319 4.649 89 HA CYS 15 HA CYS 15 -1.110 2.808 6.647 90 HB2 CYS 15 HB2 CYS 15 -2.113 -0.039 6.776 91 HB3 CYS 15 HB1 CYS 15 -1.717 0.987 8.144 92 H GLY 16 H GLY 16 0.675 1.961 7.968 93 HA2 GLY 16 HA2 GLY 16 2.680 0.963 8.387 94 HA3 GLY 16 HA1 GLY 16 2.073 -0.414 7.483 95 H SER 17 H SER 17 3.597 -0.997 6.108 96 HA SER 17 HA SER 17 5.137 1.050 4.712 97 HB2 SER 17 HB2 SER 17 6.620 -0.968 4.212 98 HB3 SER 17 HB1 SER 17 6.543 -0.454 5.898 99 HG SER 17 HG SER 17 6.330 -2.692 5.686 100 H LEU 18 H LEU 18 2.338 -0.120 4.154 101 HA LEU 18 HA LEU 18 2.602 -1.616 1.732 102 HB2 LEU 18 HB2 LEU 18 0.232 -0.158 2.850 103 HB3 LEU 18 HB1 LEU 18 0.189 -1.339 1.554 104 HG LEU 18 HG LEU 18 0.878 -1.862 4.439 105 HD11 LEU 18 HD11 LEU 18 -1.527 -2.585 2.787 106 HD12 LEU 18 HD12 LEU 18 -1.470 -1.404 4.098 107 HD13 LEU 18 HD13 LEU 18 -1.217 -3.117 4.437 108 HD21 LEU 18 HD21 LEU 18 0.623 -3.769 2.121 109 HD22 LEU 18 HD22 LEU 18 0.860 -4.203 3.816 110 HD23 LEU 18 HD23 LEU 18 2.120 -3.332 2.949 111 H CYS 19 H CYS 19 2.125 -0.940 -0.332 112 HA CYS 19 HA CYS 19 2.103 1.934 -0.768 113 HB2 CYS 19 HB2 CYS 19 3.567 -0.205 -2.331 114 HB3 CYS 19 HB1 CYS 19 3.428 1.487 -2.812 115 H CYS 20 H CYS 20 1.428 2.204 -3.250 116 HA CYS 20 HA CYS 20 -1.150 0.843 -3.295 117 HB2 CYS 20 HB2 CYS 20 -1.101 3.296 -3.060 118 HB3 CYS 20 HB1 CYS 20 -0.263 3.404 -4.600 119 H VAL 21 H VAL 21 -1.288 -0.744 -4.684 120 HA VAL 21 HA VAL 21 -0.440 -0.291 -7.439 121 HB VAL 21 HB VAL 21 -0.128 -3.019 -6.096 122 HG11 VAL 21 HG11 VAL 21 -0.553 -3.134 -8.472 123 HG12 VAL 21 HG12 VAL 21 1.102 -3.640 -8.128 124 HG13 VAL 21 3HG1 VAL 21 0.790 -2.036 -8.790 125 HG21 VAL 21 HG21 VAL 21 1.585 -1.547 -5.155 126 HG22 VAL 21 HG22 VAL 21 2.096 -1.087 -6.778 127 HG23 VAL 21 HG23 VAL 21 2.318 -2.745 -6.222 128 H GLY 22 H GLY 22 -2.707 0.373 -7.136 129 HA2 GLY 22 HA2 GLY 22 -4.928 -0.049 -7.748 130 HA3 GLY 22 HA1 GLY 22 -4.557 -1.775 -7.797 131 H ILE 23 H ILE 23 -3.626 -2.332 -5.455 132 HA ILE 23 HA ILE 23 -5.491 -1.433 -3.396 133 HB ILE 23 HB ILE 23 -5.453 -3.741 -2.466 134 HG12 ILE 23 HG12 ILE 23 -4.110 -4.479 -5.081 135 HG13 ILE 23 HG11 ILE 23 -3.340 -4.486 -3.501 136 HG21 ILE 23 HG21 ILE 23 -7.352 -3.069 -3.794 137 HG22 ILE 23 HG22 ILE 23 -6.981 -4.769 -4.096 138 HG23 ILE 23 HG23 ILE 23 -6.518 -3.542 -5.275 139 HD11 ILE 23 HD11 ILE 23 -3.942 -6.727 -4.222 140 HD12 ILE 23 HD12 ILE 23 -5.631 -6.238 -4.357 141 HD13 ILE 23 HD13 ILE 23 -4.843 -6.263 -2.780 142 H CYS 24 H CYS 24 -4.572 -1.883 -1.237 143 HA CYS 24 HA CYS 24 -1.856 -1.013 -1.152 144 HB2 CYS 24 HB2 CYS 24 -3.738 -1.776 1.064 145 HB3 CYS 24 HB1 CYS 24 -2.167 -1.022 1.277 146 H ALA 25 H ALA 25 -0.189 -2.224 -1.255 147 HA ALA 25 HA ALA 25 0.062 -4.648 0.286 148 HB1 ALA 25 HB1 ALA 25 -0.847 -5.490 -1.831 149 HB2 ALA 25 HB2 ALA 25 0.842 -5.961 -1.646 150 HB3 ALA 25 HB3 ALA 25 0.410 -4.630 -2.720 151 H LYS 26 H LYS 26 2.352 -5.135 0.540 152 HA LYS 26 HA LYS 26 3.951 -2.774 0.061 153 HB2 LYS 26 HB2 LYS 26 4.112 -3.947 2.269 154 HB3 LYS 26 HB1 LYS 26 4.782 -5.347 1.437 155 HG2 LYS 26 HG2 LYS 26 6.701 -4.032 0.714 156 HG3 LYS 26 HG1 LYS 26 6.025 -2.600 1.477 157 HD2 LYS 26 HD2 LYS 26 7.754 -3.527 2.887 158 HD3 LYS 26 HD1 LYS 26 6.192 -3.734 3.668 159 HE2 LYS 26 HE2 LYS 26 6.125 -6.050 3.018 160 HE3 LYS 26 HE1 LYS 26 7.603 -5.878 2.077 161 HZ1 LYS 26 HZ1 LYS 26 7.392 -5.523 5.021 162 HZ2 LYS 26 HZ2 LYS 26 8.798 -5.399 4.102 163 HZ3 LYS 26 HZ3 LYS 26 8.024 -6.882 4.240 164 H THR 27 H THR 27 5.496 -2.566 -1.426 165 HA THR 27 HA THR 27 5.685 -4.523 -3.499 166 HB THR 27 HB THR 27 7.133 -2.625 -4.439 167 HG1 THR 27 HG1 THR 27 7.585 -1.093 -3.028 168 HG21 THR 27 HG21 THR 27 5.152 -1.222 -4.915 169 HG22 THR 27 HG22 THR 27 4.266 -2.059 -3.640 170 HG23 THR 27 HG23 THR 27 4.780 -2.937 -5.079 171 H ILE 28 H ILE 28 8.213 -4.397 -4.395 172 HA ILE 28 HA ILE 28 9.771 -5.842 -2.521 173 HB ILE 28 HB ILE 28 10.732 -4.449 -5.060 174 HG12 ILE 28 HG12 ILE 28 9.885 -7.327 -4.641 175 HG13 ILE 28 HG11 ILE 28 8.913 -6.106 -5.448 176 HG21 ILE 28 HG21 ILE 28 12.000 -6.690 -3.473 177 HG22 ILE 28 HG22 ILE 28 12.556 -5.021 -3.515 178 HG23 ILE 28 HG23 ILE 28 12.617 -6.006 -4.979 179 HD11 ILE 28 HD11 ILE 28 10.006 -7.541 -7.058 180 HD12 ILE 28 HD12 ILE 28 11.581 -7.154 -6.365 181 HD13 ILE 28 HD13 ILE 28 10.642 -5.901 -7.175 182 H ALA 29 H ALA 29 10.257 -2.602 -3.898 183 HA ALA 29 HA ALA 29 11.706 -1.857 -1.465 184 HB1 ALA 29 HB1 ALA 29 12.468 0.100 -2.750 185 HB2 ALA 29 HB2 ALA 29 11.530 -0.444 -4.137 186 HB3 ALA 29 HB3 ALA 29 12.902 -1.398 -3.574 187 HA PRO 30 HA PRO 30 7.744 -0.012 -0.381 188 HB2 PRO 30 HB2 PRO 30 9.477 1.211 1.713 189 HB3 PRO 30 HB1 PRO 30 7.933 0.367 1.892 190 HG2 PRO 30 HG2 PRO 30 10.160 -0.864 2.579 191 HG3 PRO 30 HG1 PRO 30 8.910 -1.739 1.676 192 HD2 PRO 30 HD2 PRO 30 11.473 -0.550 0.666 193 HD3 PRO 30 HD1 PRO 30 10.731 -2.122 0.292 194 H CYS 31 H CYS 31 6.861 1.892 -0.774 195 HA CYS 31 HA CYS 31 8.271 3.857 -2.286 196 HB2 CYS 31 HB2 CYS 31 5.945 4.821 -2.349 197 HB3 CYS 31 HB1 CYS 31 6.098 3.161 -2.943 198 H LYS 32 H LYS 32 7.763 3.412 0.992 199 HA LYS 32 HA LYS 32 7.644 6.274 1.573 200 HB2 LYS 32 HB2 LYS 32 7.258 3.935 3.454 201 HB3 LYS 32 HB1 LYS 32 6.948 5.629 3.806 202 HG2 LYS 32 HG2 LYS 32 5.171 5.636 2.106 203 HG3 LYS 32 HG1 LYS 32 5.459 3.920 1.828 204 HD2 LYS 32 HD2 LYS 32 4.916 3.487 4.198 205 HD3 LYS 32 HD1 LYS 32 4.544 5.201 4.397 206 HE2 LYS 32 HE2 LYS 32 2.836 4.996 2.626 207 HE3 LYS 32 HE1 LYS 32 3.166 3.268 2.541 208 HZ1 LYS 32 HZ1 LYS 32 2.525 3.121 4.911 209 HZ2 LYS 32 HZ2 LYS 32 1.261 3.674 3.940 210 HZ3 LYS 32 HZ3 LYS 32 2.103 4.749 4.878 Start of MODEL 5 1 H1 CYS 1 HT1 CYS 1 -6.511 4.281 7.673 2 H2 CYS 1 HT2 CYS 1 -7.332 5.049 6.418 3 H3 CYS 1 HT3 CYS 1 -6.081 5.860 7.208 4 HA CYS 1 HA CYS 1 -5.440 5.038 5.062 5 HB2 CYS 1 HB2 CYS 1 -3.440 3.777 5.761 6 HB3 CYS 1 HB1 CYS 1 -3.738 5.148 6.821 7 H ALA 2 H ALA 2 -5.180 3.271 3.658 8 HA ALA 2 HA ALA 2 -7.150 1.195 4.098 9 HB1 ALA 2 HB1 ALA 2 -6.787 0.674 1.741 10 HB2 ALA 2 HB2 ALA 2 -5.457 1.829 1.688 11 HB3 ALA 2 HB3 ALA 2 -7.104 2.392 1.966 12 H VAL 3 H VAL 3 -6.707 -0.871 4.407 13 HA VAL 3 HA VAL 3 -3.931 -1.515 5.043 14 HB VAL 3 HB VAL 3 -4.815 -3.592 6.066 15 HG11 VAL 3 HG11 VAL 3 -4.571 -1.613 7.442 16 HG12 VAL 3 HG12 VAL 3 -5.972 -2.555 7.949 17 HG13 VAL 3 3HG1 VAL 3 -6.195 -1.086 6.998 18 HG21 VAL 3 HG21 VAL 3 -7.508 -2.480 5.299 19 HG22 VAL 3 HG22 VAL 3 -7.244 -3.895 6.326 20 HG23 VAL 3 HG23 VAL 3 -6.750 -3.918 4.628 21 H THR 4 H THR 4 -3.629 -4.112 4.633 22 HA THR 4 HA THR 4 -3.046 -4.336 1.944 23 HB THR 4 HB THR 4 -3.479 -6.622 3.886 24 HG1 THR 4 HG1 THR 4 -0.911 -5.824 3.713 25 HG21 THR 4 HG21 THR 4 -1.606 -6.265 1.533 26 HG22 THR 4 HG22 THR 4 -3.058 -7.265 1.538 27 HG23 THR 4 HG23 THR 4 -1.689 -7.692 2.568 28 H HIS 5 H HIS 5 -4.154 -4.977 0.253 29 HA HIS 5 HA HIS 5 -5.660 -5.897 -1.121 30 HB2 HIS 5 HB2 HIS 5 -7.062 -6.986 1.329 31 HB3 HIS 5 HB1 HIS 5 -7.626 -7.247 -0.315 32 HD1 HIS 5 HD1 HIS 5 -5.609 -8.813 2.239 33 HD2 HIS 5 HD2 HIS 5 -5.519 -8.624 -1.915 34 HE1 HIS 5 HE1 HIS 5 -4.255 -10.776 1.486 35 H GLU 6 H GLU 6 -6.403 -3.552 1.184 36 HA GLU 6 HA GLU 6 -8.966 -2.941 0.042 37 HB2 GLU 6 HB2 GLU 6 -7.183 -1.381 1.901 38 HB3 GLU 6 HB1 GLU 6 -8.708 -0.741 1.287 39 HG2 GLU 6 HG2 GLU 6 -9.698 -2.861 2.353 40 HG3 GLU 6 HG1 GLU 6 -8.158 -2.950 3.209 41 H LYS 7 H LYS 7 -9.418 -1.023 -1.120 42 HA LYS 7 HA LYS 7 -7.700 -0.605 -3.312 43 HB2 LYS 7 HB2 LYS 7 -9.287 1.123 -3.995 44 HB3 LYS 7 HB1 LYS 7 -10.135 -0.314 -3.445 45 HG2 LYS 7 HG2 LYS 7 -10.573 0.824 -1.275 46 HG3 LYS 7 HG1 LYS 7 -9.770 2.258 -1.902 47 HD2 LYS 7 HD2 LYS 7 -12.152 2.547 -2.133 48 HD3 LYS 7 HD1 LYS 7 -11.451 2.339 -3.737 49 HE2 LYS 7 HE2 LYS 7 -12.096 -0.070 -3.632 50 HE3 LYS 7 HE1 LYS 7 -12.903 0.257 -2.103 51 HZ1 LYS 7 HZ1 LYS 7 -14.444 0.272 -3.949 52 HZ2 LYS 7 HZ2 LYS 7 -13.564 1.475 -4.718 53 HZ3 LYS 7 HZ3 LYS 7 -14.359 1.815 -3.269 54 H CYS 8 H CYS 8 -6.366 1.176 -3.807 55 HA CYS 8 HA CYS 8 -5.746 2.812 -1.460 56 HB2 CYS 8 HB2 CYS 8 -3.445 2.942 -2.367 57 HB3 CYS 8 HB1 CYS 8 -3.928 1.310 -1.923 58 H SER 9 H SER 9 -5.710 4.942 -1.689 59 HA SER 9 HA SER 9 -6.413 6.024 -4.299 60 HB2 SER 9 HB2 SER 9 -6.139 7.398 -1.619 61 HB3 SER 9 HB1 SER 9 -6.876 8.076 -3.073 62 HG SER 9 HG SER 9 -7.787 5.750 -1.716 63 H ASP 10 H ASP 10 -3.738 5.597 -2.197 64 HA ASP 10 HA ASP 10 -1.860 6.872 -3.923 65 HB2 ASP 10 HB2 ASP 10 -2.898 8.798 -2.577 66 HB3 ASP 10 HB1 ASP 10 -2.276 8.004 -1.138 67 H ASP 11 H ASP 11 0.319 6.558 -2.815 68 HA ASP 11 HA ASP 11 0.496 3.962 -1.596 69 HB2 ASP 11 HB2 ASP 11 2.608 6.109 -2.011 70 HB3 ASP 11 HB1 ASP 11 2.952 4.537 -1.310 71 H TYR 12 H TYR 12 0.568 7.277 -0.548 72 HA TYR 12 HA TYR 12 1.203 6.566 2.179 73 HB2 TYR 12 HB2 TYR 12 0.547 9.244 0.936 74 HB3 TYR 12 HB1 TYR 12 1.085 8.987 2.596 75 HD1 TYR 12 HD1 TYR 12 2.130 9.583 -0.748 76 HD2 TYR 12 HD2 TYR 12 3.361 7.811 2.910 77 HE1 TYR 12 HE1 TYR 12 4.462 9.666 -1.502 78 HE2 TYR 12 HE2 TYR 12 5.704 7.900 2.169 79 HH TYR 12 HH TYR 12 6.930 7.946 -0.086 80 H ASP 13 H ASP 13 -1.406 6.235 0.433 81 HA ASP 13 HA ASP 13 -3.353 7.010 2.473 82 HB2 ASP 13 HB2 ASP 13 -3.999 7.505 0.192 83 HB3 ASP 13 HB1 ASP 13 -3.594 5.883 -0.330 84 H CYS 14 H CYS 14 -1.358 4.488 1.593 85 HA CYS 14 HA CYS 14 -3.010 2.376 2.703 86 HB2 CYS 14 HB2 CYS 14 -0.247 2.322 1.482 87 HB3 CYS 14 HB1 CYS 14 -1.165 0.914 2.014 88 H CYS 15 H CYS 15 -2.553 1.334 4.574 89 HA CYS 15 HA CYS 15 -1.413 2.790 6.685 90 HB2 CYS 15 HB2 CYS 15 -2.093 -0.132 6.509 91 HB3 CYS 15 HB1 CYS 15 -1.748 0.725 8.002 92 H GLY 16 H GLY 16 0.411 2.547 7.859 93 HA2 GLY 16 HA2 GLY 16 2.566 2.147 8.384 94 HA3 GLY 16 HA1 GLY 16 2.206 0.485 8.005 95 H SER 17 H SER 17 3.355 -0.424 6.444 96 HA SER 17 HA SER 17 5.185 1.292 4.962 97 HB2 SER 17 HB2 SER 17 6.355 -0.997 4.737 98 HB3 SER 17 HB1 SER 17 6.373 -0.182 6.305 99 HG SER 17 HG SER 17 5.261 -2.566 5.617 100 H LEU 18 H LEU 18 2.293 0.001 4.382 101 HA LEU 18 HA LEU 18 2.698 -1.572 2.041 102 HB2 LEU 18 HB2 LEU 18 0.272 -0.095 2.994 103 HB3 LEU 18 HB1 LEU 18 0.284 -1.276 1.696 104 HG LEU 18 HG LEU 18 0.881 -1.818 4.601 105 HD11 LEU 18 HD11 LEU 18 -1.448 -1.290 4.195 106 HD12 LEU 18 HD12 LEU 18 -1.250 -3.012 4.538 107 HD13 LEU 18 HD13 LEU 18 -1.495 -2.464 2.882 108 HD21 LEU 18 HD21 LEU 18 2.116 -3.321 3.123 109 HD22 LEU 18 HD22 LEU 18 0.628 -3.696 2.252 110 HD23 LEU 18 HD23 LEU 18 0.805 -4.164 3.945 111 H CYS 19 H CYS 19 2.159 -1.047 -0.081 112 HA CYS 19 HA CYS 19 2.247 1.800 -0.721 113 HB2 CYS 19 HB2 CYS 19 3.618 -0.477 -2.171 114 HB3 CYS 19 HB1 CYS 19 3.514 1.177 -2.764 115 H CYS 20 H CYS 20 1.480 2.106 -3.061 116 HA CYS 20 HA CYS 20 -1.126 0.794 -3.189 117 HB2 CYS 20 HB2 CYS 20 -1.146 3.206 -2.945 118 HB3 CYS 20 HB1 CYS 20 -0.097 3.386 -4.340 119 H VAL 21 H VAL 21 -1.318 -0.763 -4.612 120 HA VAL 21 HA VAL 21 -0.185 -0.419 -7.296 121 HB VAL 21 HB VAL 21 0.131 -2.923 -7.418 122 HG11 VAL 21 HG11 VAL 21 1.732 -1.519 -5.293 123 HG12 VAL 21 HG12 VAL 21 2.063 -1.543 -7.028 124 HG13 VAL 21 3HG1 VAL 21 2.195 -3.025 -6.079 125 HG21 VAL 21 HG21 VAL 21 0.256 -4.229 -5.332 126 HG22 VAL 21 HG22 VAL 21 -1.369 -3.601 -5.608 127 HG23 VAL 21 HG23 VAL 21 -0.315 -2.824 -4.429 128 H GLY 22 H GLY 22 -2.639 0.410 -6.448 129 HA2 GLY 22 HA2 GLY 22 -4.778 0.278 -7.529 130 HA3 GLY 22 HA1 GLY 22 -4.486 -1.447 -7.802 131 H ILE 23 H ILE 23 -3.623 -2.264 -5.554 132 HA ILE 23 HA ILE 23 -5.567 -1.574 -3.464 133 HB ILE 23 HB ILE 23 -5.344 -3.901 -2.622 134 HG12 ILE 23 HG12 ILE 23 -3.807 -4.449 -5.184 135 HG13 ILE 23 HG11 ILE 23 -3.093 -4.367 -3.580 136 HG21 ILE 23 HG21 ILE 23 -7.223 -3.388 -4.053 137 HG22 ILE 23 HG22 ILE 23 -6.666 -5.035 -4.358 138 HG23 ILE 23 HG23 ILE 23 -6.261 -3.744 -5.487 139 HD11 ILE 23 HD11 ILE 23 -5.133 -6.380 -4.504 140 HD12 ILE 23 HD12 ILE 23 -4.396 -6.318 -2.902 141 HD13 ILE 23 HD13 ILE 23 -3.403 -6.665 -4.317 142 H CYS 24 H CYS 24 -4.615 -1.811 -1.300 143 HA CYS 24 HA CYS 24 -1.864 -1.012 -1.282 144 HB2 CYS 24 HB2 CYS 24 -3.741 -1.636 1.000 145 HB3 CYS 24 HB1 CYS 24 -2.127 -0.959 1.180 146 H ALA 25 H ALA 25 -0.198 -2.261 -1.199 147 HA ALA 25 HA ALA 25 -0.346 -4.913 -0.027 148 HB1 ALA 25 HB1 ALA 25 0.432 -4.435 -2.905 149 HB2 ALA 25 HB2 ALA 25 -1.015 -5.278 -2.351 150 HB3 ALA 25 HB3 ALA 25 0.580 -5.968 -2.048 151 H LYS 26 H LYS 26 1.880 -5.896 -0.091 152 HA LYS 26 HA LYS 26 3.805 -3.858 0.654 153 HB2 LYS 26 HB2 LYS 26 3.440 -5.806 2.128 154 HB3 LYS 26 HB1 LYS 26 3.890 -6.873 0.808 155 HG2 LYS 26 HG2 LYS 26 6.156 -5.905 0.818 156 HG3 LYS 26 HG1 LYS 26 5.695 -4.883 2.177 157 HD2 LYS 26 HD2 LYS 26 6.917 -6.833 2.969 158 HD3 LYS 26 HD1 LYS 26 5.247 -6.900 3.524 159 HE2 LYS 26 HE2 LYS 26 4.701 -8.494 1.759 160 HE3 LYS 26 HE1 LYS 26 6.342 -8.376 1.125 161 HZ1 LYS 26 HZ1 LYS 26 6.043 -10.351 2.477 162 HZ2 LYS 26 HZ2 LYS 26 5.606 -9.405 3.814 163 HZ3 LYS 26 HZ3 LYS 26 7.152 -9.307 3.195 164 H THR 27 H THR 27 5.458 -3.301 -0.673 165 HA THR 27 HA THR 27 5.880 -4.956 -3.023 166 HB THR 27 HB THR 27 6.879 -2.805 -3.972 167 HG1 THR 27 HG1 THR 27 7.142 -1.493 -2.273 168 HG21 THR 27 HG21 THR 27 3.943 -2.823 -3.253 169 HG22 THR 27 HG22 THR 27 4.675 -3.591 -4.665 170 HG23 THR 27 HG23 THR 27 4.673 -1.836 -4.518 171 H ILE 28 H ILE 28 8.093 -5.237 -3.713 172 HA ILE 28 HA ILE 28 9.882 -5.748 -1.579 173 HB ILE 28 HB ILE 28 10.529 -5.534 -4.548 174 HG12 ILE 28 HG12 ILE 28 9.784 -7.982 -2.925 175 HG13 ILE 28 HG11 ILE 28 8.709 -7.163 -4.048 176 HG21 ILE 28 HG21 ILE 28 11.989 -6.962 -2.318 177 HG22 ILE 28 HG22 ILE 28 12.518 -5.478 -3.104 178 HG23 ILE 28 HG23 ILE 28 12.441 -6.984 -4.023 179 HD11 ILE 28 HD11 ILE 28 11.290 -8.549 -4.749 180 HD12 ILE 28 HD12 ILE 28 10.224 -7.726 -5.887 181 HD13 ILE 28 HD13 ILE 28 9.662 -9.164 -5.035 182 H ALA 29 H ALA 29 9.675 -3.266 -4.023 183 HA ALA 29 HA ALA 29 11.778 -1.683 -2.835 184 HB1 ALA 29 HB1 ALA 29 9.872 -1.094 -5.099 185 HB2 ALA 29 HB2 ALA 29 11.503 -1.740 -5.269 186 HB3 ALA 29 HB3 ALA 29 11.259 -0.109 -4.635 187 HA PRO 30 HA PRO 30 8.704 0.258 -0.241 188 HB2 PRO 30 HB2 PRO 30 10.315 1.955 1.066 189 HB3 PRO 30 HB1 PRO 30 10.381 0.214 1.366 190 HG2 PRO 30 HG2 PRO 30 12.163 1.912 -0.325 191 HG3 PRO 30 HG1 PRO 30 12.614 0.615 0.791 192 HD2 PRO 30 HD2 PRO 30 12.423 0.306 -1.921 193 HD3 PRO 30 HD1 PRO 30 12.187 -1.022 -0.771 194 H CYS 31 H CYS 31 7.454 2.075 -0.392 195 HA CYS 31 HA CYS 31 8.241 4.035 -2.426 196 HB2 CYS 31 HB2 CYS 31 5.794 4.561 -2.447 197 HB3 CYS 31 HB1 CYS 31 6.168 2.900 -2.899 198 H LYS 32 H LYS 32 8.117 3.618 0.859 199 HA LYS 32 HA LYS 32 7.688 6.463 1.351 200 HB2 LYS 32 HB2 LYS 32 7.381 4.150 3.273 201 HB3 LYS 32 HB1 LYS 32 7.040 5.841 3.620 202 HG2 LYS 32 HG2 LYS 32 5.267 5.790 1.877 203 HG3 LYS 32 HG1 LYS 32 5.569 4.066 1.679 204 HD2 LYS 32 HD2 LYS 32 4.982 3.693 4.017 205 HD3 LYS 32 HD1 LYS 32 4.712 5.425 4.217 206 HE2 LYS 32 HE2 LYS 32 2.948 5.292 2.465 207 HE3 LYS 32 HE1 LYS 32 3.169 3.545 2.427 208 HZ1 LYS 32 HZ1 LYS 32 2.609 3.522 4.813 209 HZ2 LYS 32 HZ2 LYS 32 1.319 4.066 3.874 210 HZ3 LYS 32 HZ3 LYS 32 2.243 5.159 4.744 Start of MODEL 6 1 H1 CYS 1 HT1 CYS 1 -7.581 5.126 6.984 2 H2 CYS 1 HT2 CYS 1 -6.211 5.986 7.525 3 H3 CYS 1 HT3 CYS 1 -6.440 4.374 7.951 4 HA CYS 1 HA CYS 1 -6.093 5.277 5.209 5 HB2 CYS 1 HB2 CYS 1 -3.843 4.138 5.414 6 HB3 CYS 1 HB1 CYS 1 -3.991 5.650 6.288 7 H ALA 2 H ALA 2 -5.366 3.348 3.865 8 HA ALA 2 HA ALA 2 -7.245 1.189 4.371 9 HB1 ALA 2 HB1 ALA 2 -6.855 0.610 2.031 10 HB2 ALA 2 HB2 ALA 2 -5.604 1.849 1.930 11 HB3 ALA 2 HB3 ALA 2 -7.284 2.310 2.203 12 H VAL 3 H VAL 3 -6.662 -0.880 4.605 13 HA VAL 3 HA VAL 3 -3.867 -1.390 5.323 14 HB VAL 3 HB VAL 3 -4.680 -3.448 6.376 15 HG11 VAL 3 HG11 VAL 3 -6.060 -2.449 8.143 16 HG12 VAL 3 HG12 VAL 3 -6.298 -1.024 7.129 17 HG13 VAL 3 3HG1 VAL 3 -4.686 -1.435 7.708 18 HG21 VAL 3 HG21 VAL 3 -7.387 -2.595 5.348 19 HG22 VAL 3 HG22 VAL 3 -7.115 -3.934 6.474 20 HG23 VAL 3 HG23 VAL 3 -6.471 -4.001 4.830 21 H THR 4 H THR 4 -3.493 -4.031 4.908 22 HA THR 4 HA THR 4 -2.903 -4.151 2.163 23 HB THR 4 HB THR 4 -3.048 -6.491 4.106 24 HG1 THR 4 HG1 THR 4 -1.667 -4.994 4.966 25 HG21 THR 4 HG21 THR 4 -1.436 -6.084 1.579 26 HG22 THR 4 HG22 THR 4 -2.840 -7.139 1.743 27 HG23 THR 4 HG23 THR 4 -1.361 -7.497 2.633 28 H HIS 5 H HIS 5 -4.030 -4.812 0.500 29 HA HIS 5 HA HIS 5 -5.465 -5.851 -0.843 30 HB2 HIS 5 HB2 HIS 5 -6.637 -7.202 1.597 31 HB3 HIS 5 HB1 HIS 5 -7.214 -7.486 -0.042 32 HD1 HIS 5 HD1 HIS 5 -5.052 -8.986 2.350 33 HD2 HIS 5 HD2 HIS 5 -4.836 -8.302 -1.741 34 HE1 HIS 5 HE1 HIS 5 -3.316 -10.564 1.475 35 H GLU 6 H GLU 6 -6.201 -3.489 1.234 36 HA GLU 6 HA GLU 6 -8.852 -3.073 0.134 37 HB2 GLU 6 HB2 GLU 6 -7.109 -1.454 1.990 38 HB3 GLU 6 HB1 GLU 6 -8.604 -0.790 1.310 39 HG2 GLU 6 HG2 GLU 6 -9.700 -2.800 2.412 40 HG3 GLU 6 HG1 GLU 6 -8.164 -3.020 3.253 41 H LYS 7 H LYS 7 -9.295 -1.221 -1.208 42 HA LYS 7 HA LYS 7 -7.319 -0.936 -3.249 43 HB2 LYS 7 HB2 LYS 7 -8.939 0.554 -4.359 44 HB3 LYS 7 HB1 LYS 7 -9.686 -0.947 -3.841 45 HG2 LYS 7 HG2 LYS 7 -10.601 0.218 -1.886 46 HG3 LYS 7 HG1 LYS 7 -9.897 1.722 -2.476 47 HD2 LYS 7 HD2 LYS 7 -11.230 1.538 -4.520 48 HD3 LYS 7 HD1 LYS 7 -11.933 0.035 -3.921 49 HE2 LYS 7 HE2 LYS 7 -12.892 1.227 -2.025 50 HE3 LYS 7 HE1 LYS 7 -12.159 2.725 -2.589 51 HZ1 LYS 7 HZ1 LYS 7 -13.511 2.586 -4.589 52 HZ2 LYS 7 HZ2 LYS 7 -14.462 2.599 -3.200 53 HZ3 LYS 7 HZ3 LYS 7 -14.225 1.155 -4.035 54 H CYS 8 H CYS 8 -6.253 1.019 -3.918 55 HA CYS 8 HA CYS 8 -5.840 2.822 -1.638 56 HB2 CYS 8 HB2 CYS 8 -3.525 3.055 -2.487 57 HB3 CYS 8 HB1 CYS 8 -3.926 1.436 -1.929 58 H SER 9 H SER 9 -5.884 4.954 -1.967 59 HA SER 9 HA SER 9 -6.388 5.950 -4.666 60 HB2 SER 9 HB2 SER 9 -6.320 7.437 -2.024 61 HB3 SER 9 HB1 SER 9 -6.990 8.022 -3.549 62 HG SER 9 HG SER 9 -8.073 6.422 -1.650 63 H ASP 10 H ASP 10 -3.958 5.743 -2.219 64 HA ASP 10 HA ASP 10 -1.925 6.827 -3.908 65 HB2 ASP 10 HB2 ASP 10 -2.810 8.908 -2.954 66 HB3 ASP 10 HB1 ASP 10 -2.693 8.219 -1.336 67 H ASP 11 H ASP 11 0.152 6.620 -2.751 68 HA ASP 11 HA ASP 11 0.365 4.042 -1.570 69 HB2 ASP 11 HB2 ASP 11 2.419 6.252 -1.732 70 HB3 ASP 11 HB1 ASP 11 2.758 4.596 -1.243 71 H TYR 12 H TYR 12 0.407 7.314 -0.262 72 HA TYR 12 HA TYR 12 1.031 6.324 2.369 73 HB2 TYR 12 HB2 TYR 12 0.427 9.117 1.370 74 HB3 TYR 12 HB1 TYR 12 0.877 8.730 3.028 75 HD1 TYR 12 HD1 TYR 12 2.099 8.735 -0.475 76 HD2 TYR 12 HD2 TYR 12 3.175 8.394 3.626 77 HE1 TYR 12 HE1 TYR 12 4.468 8.940 -1.090 78 HE2 TYR 12 HE2 TYR 12 5.555 8.596 3.016 79 HH TYR 12 HH TYR 12 6.546 9.663 -0.023 80 H ASP 13 H ASP 13 -1.653 6.567 0.488 81 HA ASP 13 HA ASP 13 -3.656 7.057 2.487 82 HB2 ASP 13 HB2 ASP 13 -4.225 7.511 0.191 83 HB3 ASP 13 HB1 ASP 13 -3.683 5.927 -0.323 84 H CYS 14 H CYS 14 -1.690 4.502 1.501 85 HA CYS 14 HA CYS 14 -3.228 2.420 2.812 86 HB2 CYS 14 HB2 CYS 14 -0.486 2.356 1.547 87 HB3 CYS 14 HB1 CYS 14 -1.449 0.969 2.053 88 H CYS 15 H CYS 15 -2.625 1.535 4.740 89 HA CYS 15 HA CYS 15 -1.207 3.132 6.607 90 HB2 CYS 15 HB2 CYS 15 -2.099 0.259 6.807 91 HB3 CYS 15 HB1 CYS 15 -1.648 1.301 8.154 92 H GLY 16 H GLY 16 0.693 2.526 7.829 93 HA2 GLY 16 HA2 GLY 16 2.778 1.717 8.176 94 HA3 GLY 16 HA1 GLY 16 2.228 0.245 7.398 95 H SER 17 H SER 17 3.878 -0.260 6.137 96 HA SER 17 HA SER 17 5.166 1.759 4.493 97 HB2 SER 17 HB2 SER 17 6.769 -0.166 4.123 98 HB3 SER 17 HB1 SER 17 6.657 0.443 5.778 99 HG SER 17 HG SER 17 5.791 -1.348 6.410 100 H LEU 18 H LEU 18 2.452 0.295 4.073 101 HA LEU 18 HA LEU 18 2.790 -1.336 1.754 102 HB2 LEU 18 HB2 LEU 18 0.355 0.118 2.747 103 HB3 LEU 18 HB1 LEU 18 0.364 -1.132 1.520 104 HG LEU 18 HG LEU 18 1.078 -1.502 4.423 105 HD11 LEU 18 HD11 LEU 18 -1.015 -2.751 4.520 106 HD12 LEU 18 HD12 LEU 18 -1.358 -2.296 2.852 107 HD13 LEU 18 HD13 LEU 18 -1.274 -1.058 4.106 108 HD21 LEU 18 HD21 LEU 18 2.301 -3.052 2.996 109 HD22 LEU 18 HD22 LEU 18 0.802 -3.502 2.183 110 HD23 LEU 18 HD23 LEU 18 1.031 -3.890 3.888 111 H CYS 19 H CYS 19 2.278 -0.821 -0.370 112 HA CYS 19 HA CYS 19 2.240 2.034 -0.970 113 HB2 CYS 19 HB2 CYS 19 3.725 -0.156 -2.442 114 HB3 CYS 19 HB1 CYS 19 3.588 1.511 -2.991 115 H CYS 20 H CYS 20 1.457 2.354 -3.265 116 HA CYS 20 HA CYS 20 -1.062 0.914 -3.409 117 HB2 CYS 20 HB2 CYS 20 -1.062 3.372 -3.217 118 HB3 CYS 20 HB1 CYS 20 -0.148 3.476 -4.712 119 H VAL 21 H VAL 21 -1.218 -0.663 -4.779 120 HA VAL 21 HA VAL 21 -0.090 -0.454 -7.475 121 HB VAL 21 HB VAL 21 0.363 -2.968 -7.400 122 HG11 VAL 21 HG11 VAL 21 2.514 -2.804 -6.222 123 HG12 VAL 21 HG12 VAL 21 1.996 -1.276 -5.510 124 HG13 VAL 21 3HG1 VAL 21 2.215 -1.405 -7.255 125 HG21 VAL 21 HG21 VAL 21 -0.991 -3.529 -5.436 126 HG22 VAL 21 HG22 VAL 21 0.082 -2.577 -4.411 127 HG23 VAL 21 HG23 VAL 21 0.683 -4.034 -5.203 128 H GLY 22 H GLY 22 -2.537 0.306 -6.845 129 HA2 GLY 22 HA2 GLY 22 -4.663 -0.097 -7.812 130 HA3 GLY 22 HA1 GLY 22 -4.286 -1.825 -7.862 131 H ILE 23 H ILE 23 -3.462 -2.451 -5.572 132 HA ILE 23 HA ILE 23 -5.390 -1.533 -3.558 133 HB ILE 23 HB ILE 23 -5.131 -3.755 -2.466 134 HG12 ILE 23 HG12 ILE 23 -3.738 -4.593 -5.029 135 HG13 ILE 23 HG11 ILE 23 -2.925 -4.311 -3.498 136 HG21 ILE 23 HG21 ILE 23 -6.199 -3.849 -5.280 137 HG22 ILE 23 HG22 ILE 23 -7.078 -3.361 -3.830 138 HG23 ILE 23 HG23 ILE 23 -6.546 -5.032 -4.019 139 HD11 ILE 23 HD11 ILE 23 -5.022 -6.410 -4.000 140 HD12 ILE 23 HD12 ILE 23 -4.129 -6.163 -2.497 141 HD13 ILE 23 HD13 ILE 23 -3.282 -6.687 -3.951 142 H CYS 24 H CYS 24 -4.508 -1.797 -1.352 143 HA CYS 24 HA CYS 24 -1.811 -0.842 -1.191 144 HB2 CYS 24 HB2 CYS 24 -3.807 -1.609 0.943 145 HB3 CYS 24 HB1 CYS 24 -2.256 -0.831 1.245 146 H ALA 25 H ALA 25 -0.136 -2.156 -1.240 147 HA ALA 25 HA ALA 25 -0.244 -4.681 0.167 148 HB1 ALA 25 HB1 ALA 25 0.371 -4.536 -2.785 149 HB2 ALA 25 HB2 ALA 25 -1.065 -5.262 -2.066 150 HB3 ALA 25 HB3 ALA 25 0.523 -5.969 -1.770 151 H LYS 26 H LYS 26 1.898 -5.723 0.111 152 HA LYS 26 HA LYS 26 3.989 -3.789 0.559 153 HB2 LYS 26 HB2 LYS 26 3.661 -5.718 2.075 154 HB3 LYS 26 HB1 LYS 26 3.937 -6.813 0.740 155 HG2 LYS 26 HG2 LYS 26 5.953 -6.794 1.941 156 HG3 LYS 26 HG1 LYS 26 6.237 -5.781 0.531 157 HD2 LYS 26 HD2 LYS 26 7.211 -4.742 2.494 158 HD3 LYS 26 HD1 LYS 26 5.842 -3.773 1.942 159 HE2 LYS 26 HE2 LYS 26 4.450 -4.595 3.674 160 HE3 LYS 26 HE1 LYS 26 5.597 -5.873 4.068 161 HZ1 LYS 26 HZ1 LYS 26 7.130 -4.158 4.849 162 HZ2 LYS 26 HZ2 LYS 26 5.706 -4.189 5.690 163 HZ3 LYS 26 HZ3 LYS 26 5.978 -2.943 4.604 164 H THR 27 H THR 27 5.315 -3.190 -1.058 165 HA THR 27 HA THR 27 5.375 -4.644 -3.525 166 HB THR 27 HB THR 27 6.874 -2.626 -4.069 167 HG1 THR 27 HG1 THR 27 7.175 -1.225 -2.519 168 HG21 THR 27 HG21 THR 27 4.910 -1.137 -4.288 169 HG22 THR 27 HG22 THR 27 3.997 -2.204 -3.217 170 HG23 THR 27 HG23 THR 27 4.534 -2.782 -4.792 171 H ILE 28 H ILE 28 7.869 -4.377 -4.476 172 HA ILE 28 HA ILE 28 9.477 -6.126 -2.878 173 HB ILE 28 HB ILE 28 10.321 -4.519 -5.331 174 HG12 ILE 28 HG12 ILE 28 9.269 -7.359 -5.225 175 HG13 ILE 28 HG11 ILE 28 8.333 -5.974 -5.772 176 HG21 ILE 28 HG21 ILE 28 12.051 -6.239 -5.583 177 HG22 ILE 28 HG22 ILE 28 11.492 -7.018 -4.105 178 HG23 ILE 28 HG23 ILE 28 12.191 -5.401 -4.036 179 HD11 ILE 28 HD11 ILE 28 10.841 -7.048 -7.050 180 HD12 ILE 28 HD12 ILE 28 9.916 -5.656 -7.614 181 HD13 ILE 28 HD13 ILE 28 9.193 -7.265 -7.640 182 H ALA 29 H ALA 29 9.804 -2.805 -4.035 183 HA ALA 29 HA ALA 29 11.591 -2.190 -1.791 184 HB1 ALA 29 HB1 ALA 29 12.502 -1.661 -4.001 185 HB2 ALA 29 HB2 ALA 29 12.189 -0.184 -3.093 186 HB3 ALA 29 HB3 ALA 29 11.078 -0.690 -4.364 187 HA PRO 30 HA PRO 30 8.073 -0.006 -0.189 188 HB2 PRO 30 HB2 PRO 30 9.291 1.283 1.864 189 HB3 PRO 30 HB1 PRO 30 8.905 -0.440 1.914 190 HG2 PRO 30 HG2 PRO 30 11.517 0.901 1.404 191 HG3 PRO 30 HG1 PRO 30 11.175 -0.602 2.274 192 HD2 PRO 30 HD2 PRO 30 12.119 -0.470 -0.314 193 HD3 PRO 30 HD1 PRO 30 11.242 -1.851 0.372 194 H CYS 31 H CYS 31 7.158 1.866 -0.728 195 HA CYS 31 HA CYS 31 8.682 3.911 -2.070 196 HB2 CYS 31 HB2 CYS 31 6.397 4.855 -2.448 197 HB3 CYS 31 HB1 CYS 31 6.572 3.191 -3.005 198 H LYS 32 H LYS 32 8.393 3.284 1.022 199 HA LYS 32 HA LYS 32 8.130 6.070 1.854 200 HB2 LYS 32 HB2 LYS 32 7.083 3.584 3.214 201 HB3 LYS 32 HB1 LYS 32 7.137 5.172 3.967 202 HG2 LYS 32 HG2 LYS 32 5.530 6.043 2.485 203 HG3 LYS 32 HG1 LYS 32 5.684 4.665 1.393 204 HD2 LYS 32 HD2 LYS 32 4.700 3.210 3.023 205 HD3 LYS 32 HD1 LYS 32 4.654 4.511 4.215 206 HE2 LYS 32 HE2 LYS 32 3.060 5.719 2.906 207 HE3 LYS 32 HE1 LYS 32 3.220 4.577 1.572 208 HZ1 LYS 32 HZ1 LYS 32 1.221 4.233 2.990 209 HZ2 LYS 32 HZ2 LYS 32 2.241 3.798 4.263 210 HZ3 LYS 32 HZ3 LYS 32 2.228 2.904 2.817 Start of MODEL 7 1 H1 CYS 1 HT1 CYS 1 -6.062 4.627 7.780 2 H2 CYS 1 HT2 CYS 1 -7.202 5.360 6.804 3 H3 CYS 1 HT3 CYS 1 -5.794 6.209 7.263 4 HA CYS 1 HA CYS 1 -5.645 5.408 5.000 5 HB2 CYS 1 HB2 CYS 1 -3.527 4.063 5.316 6 HB3 CYS 1 HB1 CYS 1 -3.570 5.587 6.189 7 H ALA 2 H ALA 2 -5.318 3.441 3.639 8 HA ALA 2 HA ALA 2 -7.363 1.501 4.299 9 HB1 ALA 2 HB1 ALA 2 -7.307 2.469 2.061 10 HB2 ALA 2 HB2 ALA 2 -7.051 0.726 1.996 11 HB3 ALA 2 HB3 ALA 2 -5.684 1.827 1.811 12 H VAL 3 H VAL 3 -7.021 -0.695 4.425 13 HA VAL 3 HA VAL 3 -4.331 -1.381 5.326 14 HB VAL 3 HB VAL 3 -5.330 -3.364 6.377 15 HG11 VAL 3 HG11 VAL 3 -6.669 -2.241 8.086 16 HG12 VAL 3 HG12 VAL 3 -6.766 -0.814 7.051 17 HG13 VAL 3 3HG1 VAL 3 -5.207 -1.344 7.678 18 HG21 VAL 3 HG21 VAL 3 -7.796 -3.634 6.444 19 HG22 VAL 3 HG22 VAL 3 -7.117 -3.826 4.824 20 HG23 VAL 3 HG23 VAL 3 -7.932 -2.333 5.252 21 H THR 4 H THR 4 -4.150 -4.004 5.012 22 HA THR 4 HA THR 4 -3.309 -4.284 2.361 23 HB THR 4 HB THR 4 -3.898 -6.526 4.320 24 HG1 THR 4 HG1 THR 4 -2.448 -4.727 5.020 25 HG21 THR 4 HG21 THR 4 -2.125 -7.709 3.091 26 HG22 THR 4 HG22 THR 4 -1.962 -6.327 2.004 27 HG23 THR 4 HG23 THR 4 -3.451 -7.269 2.012 28 H HIS 5 H HIS 5 -4.238 -4.997 0.591 29 HA HIS 5 HA HIS 5 -5.602 -5.951 -0.905 30 HB2 HIS 5 HB2 HIS 5 -7.168 -7.115 1.413 31 HB3 HIS 5 HB1 HIS 5 -7.473 -7.479 -0.278 32 HD1 HIS 5 HD1 HIS 5 -6.218 -9.231 2.350 33 HD2 HIS 5 HD2 HIS 5 -4.526 -8.222 -1.309 34 HE1 HIS 5 HE1 HIS 5 -4.381 -10.905 1.942 35 H GLU 6 H GLU 6 -6.427 -3.507 1.064 36 HA GLU 6 HA GLU 6 -8.985 -3.082 -0.237 37 HB2 GLU 6 HB2 GLU 6 -7.525 -1.442 1.848 38 HB3 GLU 6 HB1 GLU 6 -9.081 -0.994 1.144 39 HG2 GLU 6 HG2 GLU 6 -9.888 -3.219 2.051 40 HG3 GLU 6 HG1 GLU 6 -8.382 -3.250 2.967 41 H LYS 7 H LYS 7 -9.348 -1.336 -1.612 42 HA LYS 7 HA LYS 7 -7.251 -0.810 -3.411 43 HB2 LYS 7 HB2 LYS 7 -9.903 0.591 -3.129 44 HB3 LYS 7 HB1 LYS 7 -8.823 0.711 -4.513 45 HG2 LYS 7 HG2 LYS 7 -9.074 -1.643 -4.961 46 HG3 LYS 7 HG1 LYS 7 -10.093 -1.833 -3.543 47 HD2 LYS 7 HD2 LYS 7 -11.660 -0.163 -4.585 48 HD3 LYS 7 HD1 LYS 7 -10.677 -0.279 -6.044 49 HE2 LYS 7 HE2 LYS 7 -12.599 -1.748 -6.191 50 HE3 LYS 7 HE1 LYS 7 -11.104 -2.680 -6.149 51 HZ1 LYS 7 HZ1 LYS 7 -12.857 -2.198 -3.793 52 HZ2 LYS 7 HZ2 LYS 7 -11.489 -3.167 -3.819 53 HZ3 LYS 7 HZ3 LYS 7 -12.854 -3.603 -4.708 54 H CYS 8 H CYS 8 -6.156 1.087 -3.897 55 HA CYS 8 HA CYS 8 -5.894 2.868 -1.578 56 HB2 CYS 8 HB2 CYS 8 -3.518 3.066 -2.307 57 HB3 CYS 8 HB1 CYS 8 -3.983 1.467 -1.735 58 H SER 9 H SER 9 -5.562 5.019 -1.955 59 HA SER 9 HA SER 9 -6.099 5.951 -4.675 60 HB2 SER 9 HB2 SER 9 -6.059 7.483 -2.074 61 HB3 SER 9 HB1 SER 9 -6.674 8.060 -3.625 62 HG SER 9 HG SER 9 -7.929 6.733 -1.736 63 H ASP 10 H ASP 10 -3.567 5.565 -2.392 64 HA ASP 10 HA ASP 10 -1.584 6.744 -4.061 65 HB2 ASP 10 HB2 ASP 10 -2.605 8.787 -2.940 66 HB3 ASP 10 HB1 ASP 10 -2.148 8.096 -1.392 67 H ASP 11 H ASP 11 0.565 6.580 -2.790 68 HA ASP 11 HA ASP 11 0.690 3.981 -1.576 69 HB2 ASP 11 HB2 ASP 11 2.814 6.120 -1.913 70 HB3 ASP 11 HB1 ASP 11 3.121 4.513 -1.271 71 H TYR 12 H TYR 12 0.766 7.313 -0.546 72 HA TYR 12 HA TYR 12 1.349 6.618 2.194 73 HB2 TYR 12 HB2 TYR 12 0.704 9.263 0.872 74 HB3 TYR 12 HB1 TYR 12 1.102 9.079 2.577 75 HD1 TYR 12 HD1 TYR 12 3.366 8.600 3.275 76 HD2 TYR 12 HD2 TYR 12 2.432 8.988 -0.849 77 HE1 TYR 12 HE1 TYR 12 5.762 8.769 2.750 78 HE2 TYR 12 HE2 TYR 12 4.828 9.164 -1.383 79 HH TYR 12 HH TYR 12 6.886 9.761 -0.304 80 H ASP 13 H ASP 13 -1.231 6.256 0.372 81 HA ASP 13 HA ASP 13 -3.267 7.093 2.274 82 HB2 ASP 13 HB2 ASP 13 -3.768 7.457 -0.046 83 HB3 ASP 13 HB1 ASP 13 -3.318 5.815 -0.463 84 H CYS 14 H CYS 14 -1.268 4.475 1.641 85 HA CYS 14 HA CYS 14 -3.058 2.487 2.788 86 HB2 CYS 14 HB2 CYS 14 -0.298 2.234 1.591 87 HB3 CYS 14 HB1 CYS 14 -1.296 0.902 2.171 88 H CYS 15 H CYS 15 -2.553 1.363 4.664 89 HA CYS 15 HA CYS 15 -1.150 2.825 6.674 90 HB2 CYS 15 HB2 CYS 15 -2.305 0.039 6.747 91 HB3 CYS 15 HB1 CYS 15 -1.804 0.983 8.145 92 H GLY 16 H GLY 16 0.570 1.994 7.999 93 HA2 GLY 16 HA2 GLY 16 2.612 1.100 8.411 94 HA3 GLY 16 HA1 GLY 16 2.023 -0.334 7.590 95 H SER 17 H SER 17 3.626 -0.939 6.296 96 HA SER 17 HA SER 17 5.084 1.051 4.759 97 HB2 SER 17 HB2 SER 17 6.553 -1.012 4.368 98 HB3 SER 17 HB1 SER 17 6.509 -0.349 6.007 99 HG SER 17 HG SER 17 5.302 -2.688 4.993 100 H LEU 18 H LEU 18 2.299 -0.130 4.237 101 HA LEU 18 HA LEU 18 2.603 -1.707 1.855 102 HB2 LEU 18 HB2 LEU 18 0.194 -0.252 2.912 103 HB3 LEU 18 HB1 LEU 18 0.182 -1.437 1.623 104 HG LEU 18 HG LEU 18 0.803 -1.952 4.528 105 HD11 LEU 18 HD11 LEU 18 -1.308 -3.180 4.483 106 HD12 LEU 18 HD12 LEU 18 -1.576 -2.640 2.828 107 HD13 LEU 18 HD13 LEU 18 -1.524 -1.464 4.142 108 HD21 LEU 18 HD21 LEU 18 0.568 -3.883 2.218 109 HD22 LEU 18 HD22 LEU 18 0.761 -4.325 3.914 110 HD23 LEU 18 HD23 LEU 18 2.055 -3.472 3.073 111 H CYS 19 H CYS 19 2.135 -1.047 -0.219 112 HA CYS 19 HA CYS 19 2.207 1.832 -0.681 113 HB2 CYS 19 HB2 CYS 19 3.632 -0.351 -2.218 114 HB3 CYS 19 HB1 CYS 19 3.600 1.355 -2.661 115 H CYS 20 H CYS 20 1.498 2.222 -3.063 116 HA CYS 20 HA CYS 20 -1.088 0.899 -3.202 117 HB2 CYS 20 HB2 CYS 20 -0.945 3.365 -3.089 118 HB3 CYS 20 HB1 CYS 20 -0.069 3.360 -4.612 119 H VAL 21 H VAL 21 -1.287 -0.710 -4.526 120 HA VAL 21 HA VAL 21 -0.169 -0.559 -7.215 121 HB VAL 21 HB VAL 21 0.270 -3.095 -7.100 122 HG11 VAL 21 HG11 VAL 21 2.483 -2.870 -6.062 123 HG12 VAL 21 HG12 VAL 21 1.992 -1.325 -5.367 124 HG13 VAL 21 3HG1 VAL 21 2.113 -1.506 -7.117 125 HG21 VAL 21 HG21 VAL 21 0.162 -2.578 -4.123 126 HG22 VAL 21 HG22 VAL 21 0.719 -4.068 -4.887 127 HG23 VAL 21 HG23 VAL 21 -0.968 -3.574 -5.040 128 H GLY 22 H GLY 22 -2.628 0.215 -6.640 129 HA2 GLY 22 HA2 GLY 22 -4.739 -0.189 -7.603 130 HA3 GLY 22 HA1 GLY 22 -4.369 -1.916 -7.646 131 H ILE 23 H ILE 23 -3.506 -2.441 -5.288 132 HA ILE 23 HA ILE 23 -5.479 -1.597 -3.313 133 HB ILE 23 HB ILE 23 -5.309 -3.895 -2.341 134 HG12 ILE 23 HG12 ILE 23 -3.914 -4.590 -4.949 135 HG13 ILE 23 HG11 ILE 23 -3.144 -4.521 -3.372 136 HG21 ILE 23 HG21 ILE 23 -6.382 -3.796 -5.157 137 HG22 ILE 23 HG22 ILE 23 -7.242 -3.335 -3.688 138 HG23 ILE 23 HG23 ILE 23 -6.790 -5.019 -3.954 139 HD11 ILE 23 HD11 ILE 23 -3.606 -6.811 -4.067 140 HD12 ILE 23 HD12 ILE 23 -5.327 -6.436 -4.178 141 HD13 ILE 23 HD13 ILE 23 -4.510 -6.388 -2.616 142 H CYS 24 H CYS 24 -4.605 -1.821 -1.143 143 HA CYS 24 HA CYS 24 -1.869 -1.028 -1.025 144 HB2 CYS 24 HB2 CYS 24 -3.851 -1.643 1.165 145 HB3 CYS 24 HB1 CYS 24 -2.253 -0.953 1.421 146 H ALA 25 H ALA 25 -0.256 -2.344 -1.114 147 HA ALA 25 HA ALA 25 -0.242 -4.829 0.370 148 HB1 ALA 25 HB1 ALA 25 0.542 -6.104 -1.587 149 HB2 ALA 25 HB2 ALA 25 0.262 -4.696 -2.612 150 HB3 ALA 25 HB3 ALA 25 -1.098 -5.503 -1.829 151 H LYS 26 H LYS 26 2.080 -5.730 0.207 152 HA LYS 26 HA LYS 26 3.841 -3.453 0.523 153 HB2 LYS 26 HB2 LYS 26 3.766 -5.357 2.213 154 HB3 LYS 26 HB1 LYS 26 4.477 -6.379 0.974 155 HG2 LYS 26 HG2 LYS 26 6.464 -4.972 0.918 156 HG3 LYS 26 HG1 LYS 26 5.750 -3.900 2.120 157 HD2 LYS 26 HD2 LYS 26 5.669 -5.816 3.701 158 HD3 LYS 26 HD1 LYS 26 6.514 -6.794 2.502 159 HE2 LYS 26 HE2 LYS 26 8.408 -5.249 2.562 160 HE3 LYS 26 HE1 LYS 26 7.556 -4.243 3.730 161 HZ1 LYS 26 HZ1 LYS 26 7.596 -6.133 5.276 162 HZ2 LYS 26 HZ2 LYS 26 9.146 -5.668 4.851 163 HZ3 LYS 26 HZ3 LYS 26 8.461 -7.039 4.163 164 H THR 27 H THR 27 5.791 -3.259 -0.644 165 HA THR 27 HA THR 27 5.704 -4.636 -3.205 166 HB THR 27 HB THR 27 6.858 -2.510 -3.994 167 HG1 THR 27 HG1 THR 27 7.225 -1.040 -2.577 168 HG21 THR 27 HG21 THR 27 4.713 -1.254 -4.137 169 HG22 THR 27 HG22 THR 27 4.018 -2.367 -2.956 170 HG23 THR 27 HG23 THR 27 4.524 -2.958 -4.534 171 H ILE 28 H ILE 28 7.901 -4.627 -4.275 172 HA ILE 28 HA ILE 28 9.866 -5.693 -2.523 173 HB ILE 28 HB ILE 28 10.164 -4.814 -5.421 174 HG12 ILE 28 HG12 ILE 28 9.631 -7.559 -4.256 175 HG13 ILE 28 HG11 ILE 28 8.442 -6.562 -5.083 176 HG21 ILE 28 HG21 ILE 28 12.141 -6.286 -5.464 177 HG22 ILE 28 HG22 ILE 28 11.935 -6.605 -3.741 178 HG23 ILE 28 HG23 ILE 28 12.332 -4.979 -4.295 179 HD11 ILE 28 HD11 ILE 28 10.935 -7.740 -6.297 180 HD12 ILE 28 HD12 ILE 28 9.761 -6.735 -7.144 181 HD13 ILE 28 HD13 ILE 28 9.285 -8.318 -6.530 182 H ALA 29 H ALA 29 9.713 -2.703 -4.441 183 HA ALA 29 HA ALA 29 11.797 -1.555 -2.765 184 HB1 ALA 29 HB1 ALA 29 10.406 -0.474 -5.218 185 HB2 ALA 29 HB2 ALA 29 12.015 -1.207 -5.161 186 HB3 ALA 29 HB3 ALA 29 11.708 0.324 -4.340 187 HA PRO 30 HA PRO 30 8.576 0.242 -0.276 188 HB2 PRO 30 HB2 PRO 30 10.141 1.886 1.231 189 HB3 PRO 30 HB1 PRO 30 10.027 0.145 1.501 190 HG2 PRO 30 HG2 PRO 30 12.143 1.710 0.095 191 HG3 PRO 30 HG1 PRO 30 12.316 0.311 1.168 192 HD2 PRO 30 HD2 PRO 30 12.451 0.170 -1.553 193 HD3 PRO 30 HD1 PRO 30 11.919 -1.186 -0.546 194 H CYS 31 H CYS 31 7.335 2.068 -0.276 195 HA CYS 31 HA CYS 31 8.057 4.110 -2.230 196 HB2 CYS 31 HB2 CYS 31 5.618 4.571 -2.141 197 HB3 CYS 31 HB1 CYS 31 6.017 2.927 -2.650 198 H LYS 32 H LYS 32 8.049 3.697 1.111 199 HA LYS 32 HA LYS 32 7.474 6.532 1.539 200 HB2 LYS 32 HB2 LYS 32 7.138 4.276 3.523 201 HB3 LYS 32 HB1 LYS 32 6.801 5.974 3.811 202 HG2 LYS 32 HG2 LYS 32 5.023 5.895 2.128 203 HG3 LYS 32 HG1 LYS 32 5.350 4.177 1.884 204 HD2 LYS 32 HD2 LYS 32 4.854 3.776 4.263 205 HD3 LYS 32 HD1 LYS 32 4.464 5.486 4.445 206 HE2 LYS 32 HE2 LYS 32 2.697 5.220 2.745 207 HE3 LYS 32 HE1 LYS 32 3.056 3.495 2.680 208 HZ1 LYS 32 HZ1 LYS 32 2.520 3.348 5.038 209 HZ2 LYS 32 HZ2 LYS 32 1.192 3.940 4.167 210 HZ3 LYS 32 HZ3 LYS 32 2.143 4.987 5.065 Start of MODEL 8 1 H1 CYS 1 HT1 CYS 1 -6.194 5.769 7.343 2 H2 CYS 1 HT2 CYS 1 -6.562 4.167 7.818 3 H3 CYS 1 HT3 CYS 1 -7.527 4.955 6.697 4 HA CYS 1 HA CYS 1 -5.814 4.986 5.108 5 HB2 CYS 1 HB2 CYS 1 -3.704 3.729 5.611 6 HB3 CYS 1 HB1 CYS 1 -3.881 5.209 6.540 7 H ALA 2 H ALA 2 -5.490 3.164 3.716 8 HA ALA 2 HA ALA 2 -7.347 1.026 4.311 9 HB1 ALA 2 HB1 ALA 2 -7.453 2.135 2.140 10 HB2 ALA 2 HB2 ALA 2 -7.024 0.436 1.949 11 HB3 ALA 2 HB3 ALA 2 -5.782 1.681 1.815 12 H VAL 3 H VAL 3 -6.759 -1.131 4.437 13 HA VAL 3 HA VAL 3 -3.935 -1.554 5.043 14 HB VAL 3 HB VAL 3 -4.601 -3.647 6.094 15 HG11 VAL 3 HG11 VAL 3 -5.993 -2.800 7.923 16 HG12 VAL 3 HG12 VAL 3 -6.381 -1.378 6.954 17 HG13 VAL 3 3HG1 VAL 3 -4.720 -1.666 7.471 18 HG21 VAL 3 HG21 VAL 3 -7.380 -2.982 5.142 19 HG22 VAL 3 HG22 VAL 3 -6.997 -4.285 6.273 20 HG23 VAL 3 HG23 VAL 3 -6.382 -4.331 4.615 21 H THR 4 H THR 4 -3.480 -4.139 4.523 22 HA THR 4 HA THR 4 -2.940 -4.222 1.826 23 HB THR 4 HB THR 4 -3.217 -6.585 3.706 24 HG1 THR 4 HG1 THR 4 -0.709 -5.804 3.503 25 HG21 THR 4 HG21 THR 4 -1.455 -6.121 1.280 26 HG22 THR 4 HG22 THR 4 -2.880 -7.157 1.320 27 HG23 THR 4 HG23 THR 4 -1.463 -7.573 2.282 28 H HIS 5 H HIS 5 -4.032 -4.848 0.136 29 HA HIS 5 HA HIS 5 -5.473 -5.770 -1.263 30 HB2 HIS 5 HB2 HIS 5 -6.673 -7.236 1.096 31 HB3 HIS 5 HB1 HIS 5 -7.180 -7.476 -0.571 32 HD1 HIS 5 HD1 HIS 5 -5.182 -9.102 1.829 33 HD2 HIS 5 HD2 HIS 5 -4.611 -8.135 -2.171 34 HE1 HIS 5 HE1 HIS 5 -3.402 -10.658 0.981 35 H GLU 6 H GLU 6 -6.289 -3.540 0.993 36 HA GLU 6 HA GLU 6 -8.943 -3.105 -0.124 37 HB2 GLU 6 HB2 GLU 6 -7.317 -1.613 1.939 38 HB3 GLU 6 HB1 GLU 6 -8.811 -0.945 1.279 39 HG2 GLU 6 HG2 GLU 6 -9.909 -3.042 2.169 40 HG3 GLU 6 HG1 GLU 6 -8.380 -3.361 2.995 41 H LYS 7 H LYS 7 -9.422 -1.241 -1.398 42 HA LYS 7 HA LYS 7 -7.495 -0.650 -3.357 43 HB2 LYS 7 HB2 LYS 7 -10.036 0.810 -2.664 44 HB3 LYS 7 HB1 LYS 7 -9.081 1.106 -4.113 45 HG2 LYS 7 HG2 LYS 7 -9.485 -1.214 -4.810 46 HG3 LYS 7 HG1 LYS 7 -10.487 -1.456 -3.389 47 HD2 LYS 7 HD2 LYS 7 -11.035 0.540 -5.605 48 HD3 LYS 7 HD1 LYS 7 -11.811 -1.028 -5.441 49 HE2 LYS 7 HE2 LYS 7 -13.396 0.447 -4.552 50 HE3 LYS 7 HE1 LYS 7 -12.570 -0.157 -3.126 51 HZ1 LYS 7 HZ1 LYS 7 -12.909 2.200 -2.985 52 HZ2 LYS 7 HZ2 LYS 7 -12.129 2.463 -4.438 53 HZ3 LYS 7 HZ3 LYS 7 -11.247 1.955 -3.115 54 H CYS 8 H CYS 8 -6.302 1.191 -3.765 55 HA CYS 8 HA CYS 8 -5.898 2.898 -1.413 56 HB2 CYS 8 HB2 CYS 8 -3.552 3.133 -2.275 57 HB3 CYS 8 HB1 CYS 8 -3.978 1.534 -1.681 58 H SER 9 H SER 9 -5.903 5.045 -1.678 59 HA SER 9 HA SER 9 -6.540 6.094 -4.308 60 HB2 SER 9 HB2 SER 9 -6.174 7.571 -1.696 61 HB3 SER 9 HB1 SER 9 -7.042 8.128 -3.130 62 HG SER 9 HG SER 9 -7.719 6.129 -1.283 63 H ASP 10 H ASP 10 -3.889 5.737 -2.144 64 HA ASP 10 HA ASP 10 -1.934 6.682 -3.952 65 HB2 ASP 10 HB2 ASP 10 -2.810 8.867 -2.989 66 HB3 ASP 10 HB1 ASP 10 -2.356 8.288 -1.393 67 H ASP 11 H ASP 11 0.229 6.511 -2.678 68 HA ASP 11 HA ASP 11 0.315 3.972 -1.401 69 HB2 ASP 11 HB2 ASP 11 2.451 6.111 -1.495 70 HB3 ASP 11 HB1 ASP 11 2.695 4.415 -1.100 71 H TYR 12 H TYR 12 0.400 7.299 -0.293 72 HA TYR 12 HA TYR 12 0.974 6.509 2.419 73 HB2 TYR 12 HB2 TYR 12 0.328 9.198 1.219 74 HB3 TYR 12 HB1 TYR 12 0.711 8.943 2.917 75 HD1 TYR 12 HD1 TYR 12 2.960 8.839 3.643 76 HD2 TYR 12 HD2 TYR 12 2.100 8.592 -0.510 77 HE1 TYR 12 HE1 TYR 12 5.360 9.021 3.134 78 HE2 TYR 12 HE2 TYR 12 4.498 8.768 -1.023 79 HH TYR 12 HH TYR 12 6.491 9.627 0.001 80 H ASP 13 H ASP 13 -1.681 6.412 0.583 81 HA ASP 13 HA ASP 13 -3.635 7.010 2.638 82 HB2 ASP 13 HB2 ASP 13 -4.169 7.489 0.288 83 HB3 ASP 13 HB1 ASP 13 -3.855 5.821 -0.146 84 H CYS 14 H CYS 14 -1.600 4.538 1.702 85 HA CYS 14 HA CYS 14 -3.148 2.369 2.864 86 HB2 CYS 14 HB2 CYS 14 -0.399 2.408 1.612 87 HB3 CYS 14 HB1 CYS 14 -1.287 0.974 2.126 88 H CYS 15 H CYS 15 -2.625 1.416 4.756 89 HA CYS 15 HA CYS 15 -1.380 2.923 6.768 90 HB2 CYS 15 HB2 CYS 15 -2.023 -0.025 6.758 91 HB3 CYS 15 HB1 CYS 15 -1.691 0.954 8.178 92 H GLY 16 H GLY 16 0.598 2.936 7.587 93 HA2 GLY 16 HA2 GLY 16 2.738 2.403 8.082 94 HA3 GLY 16 HA1 GLY 16 2.333 0.752 7.646 95 H SER 17 H SER 17 3.894 0.085 6.386 96 HA SER 17 HA SER 17 5.088 1.915 4.500 97 HB2 SER 17 HB2 SER 17 6.784 0.045 4.344 98 HB3 SER 17 HB1 SER 17 6.644 0.843 5.910 99 HG SER 17 HG SER 17 6.215 -1.024 6.713 100 H LEU 18 H LEU 18 2.410 0.354 4.185 101 HA LEU 18 HA LEU 18 2.861 -1.354 1.931 102 HB2 LEU 18 HB2 LEU 18 0.365 0.024 2.888 103 HB3 LEU 18 HB1 LEU 18 0.402 -1.158 1.597 104 HG LEU 18 HG LEU 18 1.083 -1.683 4.491 105 HD11 LEU 18 HD11 LEU 18 -1.013 -2.936 4.493 106 HD12 LEU 18 HD12 LEU 18 -1.308 -2.429 2.830 107 HD13 LEU 18 HD13 LEU 18 -1.282 -1.230 4.125 108 HD21 LEU 18 HD21 LEU 18 0.833 -3.567 2.142 109 HD22 LEU 18 HD22 LEU 18 1.076 -4.040 3.823 110 HD23 LEU 18 HD23 LEU 18 2.330 -3.140 2.973 111 H CYS 19 H CYS 19 2.206 -0.912 -0.251 112 HA CYS 19 HA CYS 19 2.321 1.933 -0.930 113 HB2 CYS 19 HB2 CYS 19 3.588 -0.388 -2.406 114 HB3 CYS 19 HB1 CYS 19 3.595 1.289 -2.943 115 H CYS 20 H CYS 20 1.409 2.323 -3.137 116 HA CYS 20 HA CYS 20 -1.162 0.990 -3.206 117 HB2 CYS 20 HB2 CYS 20 -0.945 3.487 -3.231 118 HB3 CYS 20 HB1 CYS 20 -0.158 3.357 -4.797 119 H VAL 21 H VAL 21 -1.454 -0.687 -4.474 120 HA VAL 21 HA VAL 21 -0.111 -0.826 -7.097 121 HB VAL 21 HB VAL 21 -0.788 -3.225 -5.324 122 HG11 VAL 21 HG11 VAL 21 0.707 -4.487 -6.793 123 HG12 VAL 21 HG12 VAL 21 0.995 -3.028 -7.742 124 HG13 VAL 21 3HG1 VAL 21 -0.616 -3.743 -7.694 125 HG21 VAL 21 HG21 VAL 21 1.915 -1.907 -5.619 126 HG22 VAL 21 HG22 VAL 21 1.613 -3.435 -4.795 127 HG23 VAL 21 HG23 VAL 21 0.924 -1.938 -4.161 128 H GLY 22 H GLY 22 -2.557 0.350 -6.421 129 HA2 GLY 22 HA2 GLY 22 -4.685 0.376 -7.435 130 HA3 GLY 22 HA1 GLY 22 -4.567 -1.372 -7.710 131 H ILE 23 H ILE 23 -3.793 -2.248 -5.429 132 HA ILE 23 HA ILE 23 -5.611 -1.370 -3.339 133 HB ILE 23 HB ILE 23 -5.521 -3.753 -2.520 134 HG12 ILE 23 HG12 ILE 23 -4.318 -4.288 -5.255 135 HG13 ILE 23 HG11 ILE 23 -3.504 -4.483 -3.710 136 HG21 ILE 23 HG21 ILE 23 -7.496 -2.962 -3.670 137 HG22 ILE 23 HG22 ILE 23 -7.182 -4.644 -4.098 138 HG23 ILE 23 HG23 ILE 23 -6.769 -3.355 -5.228 139 HD11 ILE 23 HD11 ILE 23 -5.884 -6.063 -4.657 140 HD12 ILE 23 HD12 ILE 23 -5.029 -6.295 -3.132 141 HD13 ILE 23 HD13 ILE 23 -4.212 -6.615 -4.659 142 H CYS 24 H CYS 24 -4.631 -1.578 -1.247 143 HA CYS 24 HA CYS 24 -1.891 -0.865 -1.253 144 HB2 CYS 24 HB2 CYS 24 -3.699 -1.653 1.032 145 HB3 CYS 24 HB1 CYS 24 -2.109 -0.912 1.203 146 H ALA 25 H ALA 25 -0.193 -2.131 -1.305 147 HA ALA 25 HA ALA 25 -0.342 -4.804 -0.202 148 HB1 ALA 25 HB1 ALA 25 0.474 -5.845 -2.248 149 HB2 ALA 25 HB2 ALA 25 0.398 -4.291 -3.081 150 HB3 ALA 25 HB3 ALA 25 -1.085 -5.065 -2.519 151 H LYS 26 H LYS 26 1.816 -5.840 -0.344 152 HA LYS 26 HA LYS 26 3.836 -3.904 0.401 153 HB2 LYS 26 HB2 LYS 26 3.420 -5.739 1.940 154 HB3 LYS 26 HB1 LYS 26 3.679 -6.911 0.668 155 HG2 LYS 26 HG2 LYS 26 5.572 -6.799 2.219 156 HG3 LYS 26 HG1 LYS 26 6.034 -6.362 0.579 157 HD2 LYS 26 HD2 LYS 26 7.086 -4.893 2.224 158 HD3 LYS 26 HD1 LYS 26 5.994 -4.003 1.179 159 HE2 LYS 26 HE2 LYS 26 4.290 -4.001 2.939 160 HE3 LYS 26 HE1 LYS 26 5.347 -4.966 3.970 161 HZ1 LYS 26 HZ1 LYS 26 5.404 -2.593 4.540 162 HZ2 LYS 26 HZ2 LYS 26 6.001 -2.227 3.000 163 HZ3 LYS 26 HZ3 LYS 26 6.901 -3.172 4.051 164 H THR 27 H THR 27 5.443 -3.363 -0.916 165 HA THR 27 HA THR 27 5.849 -4.835 -3.383 166 HB THR 27 HB THR 27 7.220 -2.739 -3.911 167 HG1 THR 27 HG1 THR 27 7.469 -1.382 -2.334 168 HG21 THR 27 HG21 THR 27 4.949 -3.070 -4.794 169 HG22 THR 27 HG22 THR 27 5.216 -1.375 -4.383 170 HG23 THR 27 HG23 THR 27 4.272 -2.407 -3.308 171 H ILE 28 H ILE 28 8.180 -5.049 -4.060 172 HA ILE 28 HA ILE 28 9.701 -6.320 -2.019 173 HB ILE 28 HB ILE 28 10.598 -5.464 -4.803 174 HG12 ILE 28 HG12 ILE 28 9.588 -8.144 -3.818 175 HG13 ILE 28 HG11 ILE 28 8.673 -7.020 -4.815 176 HG21 ILE 28 HG21 ILE 28 12.382 -7.136 -4.544 177 HG22 ILE 28 HG22 ILE 28 11.849 -7.446 -2.892 178 HG23 ILE 28 HG23 ILE 28 12.503 -5.866 -3.324 179 HD11 ILE 28 HD11 ILE 28 10.306 -7.305 -6.615 180 HD12 ILE 28 HD12 ILE 28 9.582 -8.842 -6.137 181 HD13 ILE 28 HD13 ILE 28 11.214 -8.433 -5.606 182 H ALA 29 H ALA 29 9.907 -3.251 -3.673 183 HA ALA 29 HA ALA 29 11.967 -2.379 -1.790 184 HB1 ALA 29 HB1 ALA 29 12.536 -0.674 -3.449 185 HB2 ALA 29 HB2 ALA 29 11.240 -1.251 -4.495 186 HB3 ALA 29 HB3 ALA 29 12.624 -2.289 -4.153 187 HA PRO 30 HA PRO 30 8.809 0.153 0.153 188 HB2 PRO 30 HB2 PRO 30 11.137 1.891 0.791 189 HB3 PRO 30 HB1 PRO 30 9.916 1.214 1.873 190 HG2 PRO 30 HG2 PRO 30 12.361 0.199 1.817 191 HG3 PRO 30 HG1 PRO 30 10.948 -0.865 1.944 192 HD2 PRO 30 HD2 PRO 30 12.667 -0.275 -0.429 193 HD3 PRO 30 HD1 PRO 30 11.941 -1.808 0.107 194 H CYS 31 H CYS 31 7.696 2.012 -0.297 195 HA CYS 31 HA CYS 31 8.698 3.681 -2.493 196 HB2 CYS 31 HB2 CYS 31 6.301 4.193 -2.877 197 HB3 CYS 31 HB1 CYS 31 6.646 2.470 -3.013 198 H LYS 32 H LYS 32 8.558 3.678 0.755 199 HA LYS 32 HA LYS 32 8.031 6.558 0.922 200 HB2 LYS 32 HB2 LYS 32 7.372 4.475 3.022 201 HB3 LYS 32 HB1 LYS 32 7.104 6.204 3.165 202 HG2 LYS 32 HG2 LYS 32 5.474 6.111 1.358 203 HG3 LYS 32 HG1 LYS 32 5.763 4.381 1.181 204 HD2 LYS 32 HD2 LYS 32 5.000 4.055 3.511 205 HD3 LYS 32 HD1 LYS 32 4.630 5.781 3.603 206 HE2 LYS 32 HE2 LYS 32 3.073 5.534 1.733 207 HE3 LYS 32 HE1 LYS 32 3.436 3.814 1.662 208 HZ1 LYS 32 HZ1 LYS 32 2.112 5.242 3.910 209 HZ2 LYS 32 HZ2 LYS 32 2.595 3.657 3.975 210 HZ3 LYS 32 HZ3 LYS 32 1.411 4.118 2.856 Start of MODEL 9 1 H1 CYS 1 HT1 CYS 1 -5.925 6.166 7.027 2 H2 CYS 1 HT2 CYS 1 -6.297 4.603 7.575 3 H3 CYS 1 HT3 CYS 1 -7.296 5.349 6.448 4 HA CYS 1 HA CYS 1 -5.553 5.291 4.839 5 HB2 CYS 1 HB2 CYS 1 -3.540 3.892 5.418 6 HB3 CYS 1 HB1 CYS 1 -3.613 5.432 6.261 7 H ALA 2 H ALA 2 -5.316 3.413 3.506 8 HA ALA 2 HA ALA 2 -7.343 1.438 4.022 9 HB1 ALA 2 HB1 ALA 2 -7.101 2.501 1.823 10 HB2 ALA 2 HB2 ALA 2 -6.918 0.750 1.737 11 HB3 ALA 2 HB3 ALA 2 -5.496 1.791 1.667 12 H VAL 3 H VAL 3 -6.998 -0.702 4.289 13 HA VAL 3 HA VAL 3 -4.320 -1.393 5.224 14 HB VAL 3 HB VAL 3 -5.333 -3.370 6.255 15 HG11 VAL 3 HG11 VAL 3 -6.734 -2.251 7.917 16 HG12 VAL 3 HG12 VAL 3 -6.818 -0.830 6.872 17 HG13 VAL 3 3HG1 VAL 3 -5.271 -1.336 7.551 18 HG21 VAL 3 HG21 VAL 3 -7.797 -3.655 6.256 19 HG22 VAL 3 HG22 VAL 3 -7.070 -3.849 4.656 20 HG23 VAL 3 HG23 VAL 3 -7.905 -2.359 5.054 21 H THR 4 H THR 4 -4.117 -4.039 4.901 22 HA THR 4 HA THR 4 -3.178 -4.311 2.342 23 HB THR 4 HB THR 4 -4.026 -6.603 4.099 24 HG1 THR 4 HG1 THR 4 -1.755 -6.178 4.905 25 HG21 THR 4 HG21 THR 4 -1.655 -6.117 2.281 26 HG22 THR 4 HG22 THR 4 -3.055 -7.115 1.894 27 HG23 THR 4 HG23 THR 4 -1.959 -7.598 3.189 28 H HIS 5 H HIS 5 -4.061 -4.872 0.516 29 HA HIS 5 HA HIS 5 -5.345 -5.674 -1.077 30 HB2 HIS 5 HB2 HIS 5 -6.779 -7.197 1.095 31 HB3 HIS 5 HB1 HIS 5 -7.239 -7.305 -0.602 32 HD1 HIS 5 HD1 HIS 5 -5.271 -9.117 1.746 33 HD2 HIS 5 HD2 HIS 5 -4.762 -7.969 -2.213 34 HE1 HIS 5 HE1 HIS 5 -3.470 -10.592 0.819 35 H GLU 6 H GLU 6 -6.456 -3.489 1.111 36 HA GLU 6 HA GLU 6 -8.962 -3.031 -0.223 37 HB2 GLU 6 HB2 GLU 6 -7.376 -1.338 1.714 38 HB3 GLU 6 HB1 GLU 6 -8.884 -0.778 0.981 39 HG2 GLU 6 HG2 GLU 6 -9.887 -2.863 2.028 40 HG3 GLU 6 HG1 GLU 6 -8.380 -2.976 2.942 41 H LYS 7 H LYS 7 -9.378 -0.983 -1.431 42 HA LYS 7 HA LYS 7 -7.512 -0.749 -3.530 43 HB2 LYS 7 HB2 LYS 7 -10.042 -0.531 -3.636 44 HB3 LYS 7 HB1 LYS 7 -9.854 1.035 -2.865 45 HG2 LYS 7 HG2 LYS 7 -8.555 1.828 -4.722 46 HG3 LYS 7 HG1 LYS 7 -8.639 0.231 -5.475 47 HD2 LYS 7 HD2 LYS 7 -10.299 1.586 -6.568 48 HD3 LYS 7 HD1 LYS 7 -11.147 0.479 -5.500 49 HE2 LYS 7 HE2 LYS 7 -12.130 2.680 -5.331 50 HE3 LYS 7 HE1 LYS 7 -11.330 2.282 -3.814 51 HZ1 LYS 7 HZ1 LYS 7 -10.884 4.559 -4.543 52 HZ2 LYS 7 HZ2 LYS 7 -10.158 3.994 -5.950 53 HZ3 LYS 7 HZ3 LYS 7 -9.469 3.664 -4.461 54 H CYS 8 H CYS 8 -6.157 1.021 -3.988 55 HA CYS 8 HA CYS 8 -5.701 2.747 -1.652 56 HB2 CYS 8 HB2 CYS 8 -3.353 2.809 -2.335 57 HB3 CYS 8 HB1 CYS 8 -3.894 1.170 -1.991 58 H SER 9 H SER 9 -5.392 4.883 -1.977 59 HA SER 9 HA SER 9 -5.792 5.879 -4.704 60 HB2 SER 9 HB2 SER 9 -5.975 7.341 -2.056 61 HB3 SER 9 HB1 SER 9 -6.468 7.960 -3.635 62 HG SER 9 HG SER 9 -7.529 5.580 -2.579 63 H ASP 10 H ASP 10 -3.438 5.478 -2.222 64 HA ASP 10 HA ASP 10 -1.321 6.727 -3.683 65 HB2 ASP 10 HB2 ASP 10 -2.508 8.707 -2.618 66 HB3 ASP 10 HB1 ASP 10 -2.159 7.976 -1.056 67 H ASP 11 H ASP 11 0.692 6.500 -2.343 68 HA ASP 11 HA ASP 11 0.769 3.949 -1.031 69 HB2 ASP 11 HB2 ASP 11 2.899 6.098 -1.165 70 HB3 ASP 11 HB1 ASP 11 3.147 4.497 -0.487 71 H TYR 12 H TYR 12 0.701 7.281 0.020 72 HA TYR 12 HA TYR 12 1.033 6.540 2.795 73 HB2 TYR 12 HB2 TYR 12 0.554 9.180 1.424 74 HB3 TYR 12 HB1 TYR 12 0.640 9.007 3.173 75 HD1 TYR 12 HD1 TYR 12 2.718 8.883 4.281 76 HD2 TYR 12 HD2 TYR 12 2.596 8.608 0.038 77 HE1 TYR 12 HE1 TYR 12 5.161 9.080 4.205 78 HE2 TYR 12 HE2 TYR 12 5.043 8.806 -0.049 79 HH TYR 12 HH TYR 12 6.857 9.639 1.305 80 H ASP 13 H ASP 13 -1.378 6.476 0.616 81 HA ASP 13 HA ASP 13 -3.553 7.038 2.428 82 HB2 ASP 13 HB2 ASP 13 -3.951 7.537 0.116 83 HB3 ASP 13 HB1 ASP 13 -3.377 5.957 -0.387 84 H CYS 14 H CYS 14 -1.430 4.537 1.694 85 HA CYS 14 HA CYS 14 -3.156 2.460 2.780 86 HB2 CYS 14 HB2 CYS 14 -0.359 2.319 1.636 87 HB3 CYS 14 HB1 CYS 14 -1.329 0.947 2.161 88 H CYS 15 H CYS 15 -2.663 1.379 4.669 89 HA CYS 15 HA CYS 15 -1.422 2.904 6.699 90 HB2 CYS 15 HB2 CYS 15 -2.364 0.040 6.738 91 HB3 CYS 15 HB1 CYS 15 -1.921 0.991 8.151 92 H GLY 16 H GLY 16 0.469 2.698 7.713 93 HA2 GLY 16 HA2 GLY 16 2.605 2.118 8.187 94 HA3 GLY 16 HA1 GLY 16 2.057 0.472 7.966 95 H SER 17 H SER 17 3.346 -0.588 6.731 96 HA SER 17 HA SER 17 5.113 0.749 4.928 97 HB2 SER 17 HB2 SER 17 6.078 -1.620 4.839 98 HB3 SER 17 HB1 SER 17 6.167 -0.740 6.367 99 HG SER 17 HG SER 17 5.234 -2.425 7.136 100 H LEU 18 H LEU 18 2.088 -0.066 4.395 101 HA LEU 18 HA LEU 18 2.388 -1.775 2.089 102 HB2 LEU 18 HB2 LEU 18 0.022 -0.229 3.079 103 HB3 LEU 18 HB1 LEU 18 -0.011 -1.394 1.770 104 HG LEU 18 HG LEU 18 0.516 -1.959 4.681 105 HD11 LEU 18 HD11 LEU 18 -1.621 -3.153 4.498 106 HD12 LEU 18 HD12 LEU 18 -1.772 -2.544 2.849 107 HD13 LEU 18 HD13 LEU 18 -1.768 -1.419 4.208 108 HD21 LEU 18 HD21 LEU 18 1.802 -3.491 3.268 109 HD22 LEU 18 HD22 LEU 18 0.354 -3.852 2.330 110 HD23 LEU 18 HD23 LEU 18 0.448 -4.329 4.025 111 H CYS 19 H CYS 19 1.939 -1.167 -0.037 112 HA CYS 19 HA CYS 19 2.298 1.681 -0.585 113 HB2 CYS 19 HB2 CYS 19 3.421 -0.704 -2.060 114 HB3 CYS 19 HB1 CYS 19 3.673 0.991 -2.471 115 H CYS 20 H CYS 20 1.517 2.206 -2.800 116 HA CYS 20 HA CYS 20 -1.057 0.913 -3.160 117 HB2 CYS 20 HB2 CYS 20 -0.946 3.368 -2.954 118 HB3 CYS 20 HB1 CYS 20 0.066 3.430 -4.391 119 H VAL 21 H VAL 21 -1.227 -0.626 -4.554 120 HA VAL 21 HA VAL 21 0.005 -0.383 -7.172 121 HB VAL 21 HB VAL 21 1.484 -1.786 -5.708 122 HG11 VAL 21 HG11 VAL 21 -0.061 -2.778 -4.215 123 HG12 VAL 21 HG12 VAL 21 0.850 -4.045 -5.037 124 HG13 VAL 21 3HG1 VAL 21 -0.810 -3.697 -5.522 125 HG21 VAL 21 HG21 VAL 21 1.628 -2.180 -8.063 126 HG22 VAL 21 HG22 VAL 21 0.225 -3.239 -8.024 127 HG23 VAL 21 HG23 VAL 21 1.726 -3.738 -7.240 128 H GLY 22 H GLY 22 -2.536 0.261 -6.415 129 HA2 GLY 22 HA2 GLY 22 -4.660 -0.099 -7.394 130 HA3 GLY 22 HA1 GLY 22 -4.229 -1.794 -7.666 131 H ILE 23 H ILE 23 -3.293 -2.541 -5.407 132 HA ILE 23 HA ILE 23 -5.367 -2.150 -3.367 133 HB ILE 23 HB ILE 23 -4.659 -4.388 -2.510 134 HG12 ILE 23 HG12 ILE 23 -3.145 -4.626 -5.126 135 HG13 ILE 23 HG11 ILE 23 -2.404 -4.414 -3.548 136 HG21 ILE 23 HG21 ILE 23 -6.660 -4.251 -3.848 137 HG22 ILE 23 HG22 ILE 23 -5.805 -5.750 -4.214 138 HG23 ILE 23 HG23 ILE 23 -5.714 -4.387 -5.331 139 HD11 ILE 23 HD11 ILE 23 -4.060 -6.773 -4.411 140 HD12 ILE 23 HD12 ILE 23 -3.262 -6.575 -2.847 141 HD13 ILE 23 HD13 ILE 23 -2.299 -6.724 -4.317 142 H CYS 24 H CYS 24 -4.515 -1.983 -1.227 143 HA CYS 24 HA CYS 24 -1.825 -1.028 -1.086 144 HB2 CYS 24 HB2 CYS 24 -3.840 -1.611 1.089 145 HB3 CYS 24 HB1 CYS 24 -2.252 -0.908 1.377 146 H ALA 25 H ALA 25 -0.202 -2.287 -1.164 147 HA ALA 25 HA ALA 25 -0.116 -4.766 0.353 148 HB1 ALA 25 HB1 ALA 25 0.374 -4.626 -2.627 149 HB2 ALA 25 HB2 ALA 25 -0.966 -5.456 -1.838 150 HB3 ALA 25 HB3 ALA 25 0.687 -6.029 -1.607 151 H LYS 26 H LYS 26 2.076 -5.493 0.563 152 HA LYS 26 HA LYS 26 3.925 -3.260 0.544 153 HB2 LYS 26 HB2 LYS 26 3.751 -4.666 2.546 154 HB3 LYS 26 HB1 LYS 26 4.216 -6.078 1.613 155 HG2 LYS 26 HG2 LYS 26 6.416 -5.066 1.194 156 HG3 LYS 26 HG1 LYS 26 5.940 -3.668 2.151 157 HD2 LYS 26 HD2 LYS 26 6.037 -6.493 3.204 158 HD3 LYS 26 HD1 LYS 26 7.332 -5.318 3.401 159 HE2 LYS 26 HE2 LYS 26 5.798 -3.842 4.631 160 HE3 LYS 26 HE1 LYS 26 4.503 -5.017 4.426 161 HZ1 LYS 26 HZ1 LYS 26 7.040 -5.538 5.873 162 HZ2 LYS 26 HZ2 LYS 26 5.742 -6.590 5.732 163 HZ3 LYS 26 HZ3 LYS 26 5.572 -5.165 6.604 164 H THR 27 H THR 27 5.110 -2.900 -1.214 165 HA THR 27 HA THR 27 5.497 -4.965 -3.168 166 HB THR 27 HB THR 27 6.565 -2.985 -4.400 167 HG1 THR 27 HG1 THR 27 7.002 -1.516 -2.784 168 HG21 THR 27 HG21 THR 27 3.684 -2.753 -3.490 169 HG22 THR 27 HG22 THR 27 4.255 -3.745 -4.830 170 HG23 THR 27 HG23 THR 27 4.370 -1.988 -4.923 171 H ILE 28 H ILE 28 7.779 -4.881 -4.258 172 HA ILE 28 HA ILE 28 9.692 -5.667 -2.281 173 HB ILE 28 HB ILE 28 10.066 -5.289 -5.280 174 HG12 ILE 28 HG12 ILE 28 9.462 -7.812 -3.713 175 HG13 ILE 28 HG11 ILE 28 8.302 -6.938 -4.702 176 HG21 ILE 28 HG21 ILE 28 12.193 -5.295 -4.074 177 HG22 ILE 28 HG22 ILE 28 12.012 -6.774 -5.018 178 HG23 ILE 28 HG23 ILE 28 11.749 -6.804 -3.275 179 HD11 ILE 28 HD11 ILE 28 9.639 -7.428 -6.690 180 HD12 ILE 28 HD12 ILE 28 9.151 -8.901 -5.852 181 HD13 ILE 28 HD13 ILE 28 10.801 -8.299 -5.689 182 H ALA 29 H ALA 29 9.310 -2.985 -4.517 183 HA ALA 29 HA ALA 29 11.616 -1.608 -3.470 184 HB1 ALA 29 HB1 ALA 29 9.495 -0.708 -5.432 185 HB2 ALA 29 HB2 ALA 29 11.050 -1.421 -5.855 186 HB3 ALA 29 HB3 ALA 29 10.988 0.156 -5.067 187 HA PRO 30 HA PRO 30 9.292 0.424 -0.255 188 HB2 PRO 30 HB2 PRO 30 10.959 2.527 0.209 189 HB3 PRO 30 HB1 PRO 30 11.314 0.891 0.771 190 HG2 PRO 30 HG2 PRO 30 12.334 2.337 -1.625 191 HG3 PRO 30 HG1 PRO 30 13.215 1.308 -0.482 192 HD2 PRO 30 HD2 PRO 30 12.413 0.421 -2.912 193 HD3 PRO 30 HD1 PRO 30 12.494 -0.645 -1.496 194 H CYS 31 H CYS 31 7.790 2.012 -0.151 195 HA CYS 31 HA CYS 31 7.619 3.788 -2.481 196 HB2 CYS 31 HB2 CYS 31 5.186 3.811 -1.982 197 HB3 CYS 31 HB1 CYS 31 5.822 2.226 -2.420 198 H LYS 32 H LYS 32 8.334 3.800 0.758 199 HA LYS 32 HA LYS 32 7.651 6.628 0.933 200 HB2 LYS 32 HB2 LYS 32 7.421 4.608 3.199 201 HB3 LYS 32 HB1 LYS 32 7.210 6.344 3.346 202 HG2 LYS 32 HG2 LYS 32 5.269 6.171 1.857 203 HG3 LYS 32 HG1 LYS 32 5.485 4.418 1.822 204 HD2 LYS 32 HD2 LYS 32 5.273 4.372 4.270 205 HD3 LYS 32 HD1 LYS 32 4.962 6.115 4.269 206 HE2 LYS 32 HE2 LYS 32 2.866 5.103 4.377 207 HE3 LYS 32 HE1 LYS 32 3.077 5.581 2.686 208 HZ1 LYS 32 HZ1 LYS 32 3.816 3.215 2.272 209 HZ2 LYS 32 HZ2 LYS 32 2.208 3.365 2.698 210 HZ3 LYS 32 HZ3 LYS 32 3.339 2.878 3.846 Start of MODEL 10 1 H1 CYS 1 HT1 CYS 1 -7.046 5.652 6.143 2 H2 CYS 1 HT2 CYS 1 -5.620 6.357 6.736 3 H3 CYS 1 HT3 CYS 1 -6.213 4.922 7.423 4 HA CYS 1 HA CYS 1 -5.300 5.259 4.664 5 HB2 CYS 1 HB2 CYS 1 -3.410 3.801 5.389 6 HB3 CYS 1 HB1 CYS 1 -3.406 5.366 6.182 7 H ALA 2 H ALA 2 -5.206 3.283 3.492 8 HA ALA 2 HA ALA 2 -7.341 1.450 4.173 9 HB1 ALA 2 HB1 ALA 2 -5.644 1.710 1.688 10 HB2 ALA 2 HB2 ALA 2 -7.238 2.422 1.919 11 HB3 ALA 2 HB3 ALA 2 -7.056 0.669 1.868 12 H VAL 3 H VAL 3 -7.003 -0.784 4.269 13 HA VAL 3 HA VAL 3 -4.301 -1.457 5.158 14 HB VAL 3 HB VAL 3 -5.277 -3.431 6.237 15 HG11 VAL 3 HG11 VAL 3 -6.613 -2.297 7.951 16 HG12 VAL 3 HG12 VAL 3 -6.726 -0.881 6.904 17 HG13 VAL 3 3HG1 VAL 3 -5.158 -1.396 7.523 18 HG21 VAL 3 HG21 VAL 3 -7.096 -3.911 4.705 19 HG22 VAL 3 HG22 VAL 3 -7.904 -2.419 5.153 20 HG23 VAL 3 HG23 VAL 3 -7.740 -3.721 6.340 21 H THR 4 H THR 4 -4.105 -4.066 4.842 22 HA THR 4 HA THR 4 -3.307 -4.427 2.215 23 HB THR 4 HB THR 4 -4.052 -6.585 4.212 24 HG1 THR 4 HG1 THR 4 -2.552 -5.263 5.171 25 HG21 THR 4 HG21 THR 4 -2.368 -7.918 3.024 26 HG22 THR 4 HG22 THR 4 -2.105 -6.582 1.900 27 HG23 THR 4 HG23 THR 4 -3.656 -7.419 1.925 28 H HIS 5 H HIS 5 -4.292 -5.012 0.424 29 HA HIS 5 HA HIS 5 -5.700 -5.786 -1.091 30 HB2 HIS 5 HB2 HIS 5 -7.128 -7.159 1.188 31 HB3 HIS 5 HB1 HIS 5 -7.637 -7.307 -0.490 32 HD1 HIS 5 HD1 HIS 5 -5.600 -9.004 1.948 33 HD2 HIS 5 HD2 HIS 5 -5.369 -8.344 -2.153 34 HE1 HIS 5 HE1 HIS 5 -4.037 -10.745 1.045 35 H GLU 6 H GLU 6 -6.564 -3.498 1.091 36 HA GLU 6 HA GLU 6 -9.098 -2.957 -0.199 37 HB2 GLU 6 HB2 GLU 6 -7.527 -1.379 1.839 38 HB3 GLU 6 HB1 GLU 6 -9.049 -0.826 1.143 39 HG2 GLU 6 HG2 GLU 6 -10.040 -2.946 2.086 40 HG3 GLU 6 HG1 GLU 6 -8.521 -3.136 2.968 41 H LYS 7 H LYS 7 -9.446 -1.040 -1.418 42 HA LYS 7 HA LYS 7 -7.376 -0.682 -3.324 43 HB2 LYS 7 HB2 LYS 7 -9.987 0.771 -2.997 44 HB3 LYS 7 HB1 LYS 7 -8.903 0.911 -4.376 45 HG2 LYS 7 HG2 LYS 7 -9.208 -1.488 -4.830 46 HG3 LYS 7 HG1 LYS 7 -10.336 -1.578 -3.476 47 HD2 LYS 7 HD2 LYS 7 -11.567 -1.383 -5.538 48 HD3 LYS 7 HD1 LYS 7 -11.757 0.094 -4.594 49 HE2 LYS 7 HE2 LYS 7 -10.038 1.184 -5.954 50 HE3 LYS 7 HE1 LYS 7 -9.853 -0.294 -6.898 51 HZ1 LYS 7 HZ1 LYS 7 -11.222 1.309 -8.008 52 HZ2 LYS 7 HZ2 LYS 7 -12.301 1.374 -6.719 53 HZ3 LYS 7 HZ3 LYS 7 -12.137 -0.046 -7.625 54 H CYS 8 H CYS 8 -6.129 1.050 -3.737 55 HA CYS 8 HA CYS 8 -5.931 3.012 -1.560 56 HB2 CYS 8 HB2 CYS 8 -3.530 3.049 -2.149 57 HB3 CYS 8 HB1 CYS 8 -4.088 1.496 -1.532 58 H SER 9 H SER 9 -5.499 5.111 -2.134 59 HA SER 9 HA SER 9 -5.650 5.715 -4.992 60 HB2 SER 9 HB2 SER 9 -6.104 8.066 -4.191 61 HB3 SER 9 HB1 SER 9 -7.340 6.885 -3.769 62 HG SER 9 HG SER 9 -6.344 6.759 -1.658 63 H ASP 10 H ASP 10 -3.608 5.841 -2.224 64 HA ASP 10 HA ASP 10 -1.379 6.656 -3.855 65 HB2 ASP 10 HB2 ASP 10 -2.282 8.824 -3.001 66 HB3 ASP 10 HB1 ASP 10 -2.137 8.208 -1.358 67 H ASP 11 H ASP 11 0.623 6.448 -2.518 68 HA ASP 11 HA ASP 11 0.615 3.888 -1.263 69 HB2 ASP 11 HB2 ASP 11 2.823 5.946 -1.418 70 HB3 ASP 11 HB1 ASP 11 3.019 4.262 -0.947 71 H TYR 12 H TYR 12 0.809 7.220 -0.155 72 HA TYR 12 HA TYR 12 1.304 6.443 2.572 73 HB2 TYR 12 HB2 TYR 12 0.668 9.118 1.303 74 HB3 TYR 12 HB1 TYR 12 0.996 8.910 3.021 75 HD1 TYR 12 HD1 TYR 12 2.527 8.241 -0.330 76 HD2 TYR 12 HD2 TYR 12 3.190 9.155 3.769 77 HE1 TYR 12 HE1 TYR 12 4.923 8.494 -0.783 78 HE2 TYR 12 HE2 TYR 12 5.594 9.407 3.320 79 HH TYR 12 HH TYR 12 6.824 9.617 0.175 80 H ASP 13 H ASP 13 -1.288 6.391 0.597 81 HA ASP 13 HA ASP 13 -3.342 6.940 2.565 82 HB2 ASP 13 HB2 ASP 13 -3.803 7.582 0.261 83 HB3 ASP 13 HB1 ASP 13 -3.395 5.983 -0.317 84 H CYS 14 H CYS 14 -1.257 4.466 1.812 85 HA CYS 14 HA CYS 14 -3.018 2.357 2.802 86 HB2 CYS 14 HB2 CYS 14 -0.255 2.245 1.585 87 HB3 CYS 14 HB1 CYS 14 -1.170 0.852 2.164 88 H CYS 15 H CYS 15 -2.666 1.367 4.719 89 HA CYS 15 HA CYS 15 -1.264 2.760 6.755 90 HB2 CYS 15 HB2 CYS 15 -2.397 -0.035 6.774 91 HB3 CYS 15 HB1 CYS 15 -1.947 0.903 8.193 92 H GLY 16 H GLY 16 0.419 1.842 8.146 93 HA2 GLY 16 HA2 GLY 16 2.394 0.857 8.597 94 HA3 GLY 16 HA1 GLY 16 1.878 -0.460 7.555 95 H SER 17 H SER 17 3.580 -0.856 6.352 96 HA SER 17 HA SER 17 4.906 1.374 5.010 97 HB2 SER 17 HB2 SER 17 6.683 -0.450 4.606 98 HB3 SER 17 HB1 SER 17 6.498 0.167 6.250 99 HG SER 17 HG SER 17 5.372 -1.636 6.805 100 H LEU 18 H LEU 18 2.353 -0.183 4.389 101 HA LEU 18 HA LEU 18 2.834 -1.696 2.029 102 HB2 LEU 18 HB2 LEU 18 0.291 -0.384 2.970 103 HB3 LEU 18 HB1 LEU 18 0.408 -1.623 1.738 104 HG LEU 18 HG LEU 18 1.001 -1.975 4.678 105 HD11 LEU 18 HD11 LEU 18 -1.358 -1.683 4.237 106 HD12 LEU 18 HD12 LEU 18 -1.013 -3.358 4.675 107 HD13 LEU 18 HD13 LEU 18 -1.297 -2.927 2.989 108 HD21 LEU 18 HD21 LEU 18 0.972 -4.001 2.437 109 HD22 LEU 18 HD22 LEU 18 1.141 -4.369 4.153 110 HD23 LEU 18 HD23 LEU 18 2.394 -3.447 3.324 111 H CYS 19 H CYS 19 2.226 -1.128 -0.088 112 HA CYS 19 HA CYS 19 2.292 1.734 -0.657 113 HB2 CYS 19 HB2 CYS 19 3.660 -0.519 -2.137 114 HB3 CYS 19 HB1 CYS 19 3.617 1.162 -2.663 115 H CYS 20 H CYS 20 1.526 2.081 -2.986 116 HA CYS 20 HA CYS 20 -1.050 0.739 -3.118 117 HB2 CYS 20 HB2 CYS 20 -0.951 3.198 -2.933 118 HB3 CYS 20 HB1 CYS 20 -0.086 3.258 -4.463 119 H VAL 21 H VAL 21 -1.309 -0.838 -4.528 120 HA VAL 21 HA VAL 21 -0.265 -0.540 -7.243 121 HB VAL 21 HB VAL 21 0.063 -3.069 -7.346 122 HG11 VAL 21 HG11 VAL 21 1.831 -1.604 -5.396 123 HG12 VAL 21 HG12 VAL 21 1.993 -1.616 -7.153 124 HG13 VAL 21 3HG1 VAL 21 2.249 -3.099 -6.232 125 HG21 VAL 21 HG21 VAL 21 -1.261 -3.709 -5.391 126 HG22 VAL 21 HG22 VAL 21 -0.126 -2.874 -4.334 127 HG23 VAL 21 HG23 VAL 21 0.395 -4.299 -5.234 128 H GLY 22 H GLY 22 -2.643 0.330 -6.534 129 HA2 GLY 22 HA2 GLY 22 -4.809 0.141 -7.458 130 HA3 GLY 22 HA1 GLY 22 -4.561 -1.603 -7.638 131 H ILE 23 H ILE 23 -3.694 -2.372 -5.380 132 HA ILE 23 HA ILE 23 -5.511 -1.507 -3.260 133 HB ILE 23 HB ILE 23 -5.413 -3.857 -2.397 134 HG12 ILE 23 HG12 ILE 23 -4.201 -4.472 -5.111 135 HG13 ILE 23 HG11 ILE 23 -3.369 -4.581 -3.567 136 HG21 ILE 23 HG21 ILE 23 -7.049 -4.796 -3.963 137 HG22 ILE 23 HG22 ILE 23 -6.626 -3.543 -5.129 138 HG23 ILE 23 HG23 ILE 23 -7.373 -3.101 -3.593 139 HD11 ILE 23 HD11 ILE 23 -4.856 -6.384 -2.886 140 HD12 ILE 23 HD12 ILE 23 -4.040 -6.768 -4.401 141 HD13 ILE 23 HD13 ILE 23 -5.725 -6.251 -4.413 142 H CYS 24 H CYS 24 -4.574 -1.773 -1.143 143 HA CYS 24 HA CYS 24 -1.827 -1.048 -1.102 144 HB2 CYS 24 HB2 CYS 24 -3.689 -1.769 1.155 145 HB3 CYS 24 HB1 CYS 24 -2.090 -1.058 1.350 146 H ALA 25 H ALA 25 -0.127 -2.289 -1.089 147 HA ALA 25 HA ALA 25 -0.159 -4.910 0.164 148 HB1 ALA 25 HB1 ALA 25 0.745 -6.004 -1.825 149 HB2 ALA 25 HB2 ALA 25 0.609 -4.496 -2.725 150 HB3 ALA 25 HB3 ALA 25 -0.847 -5.321 -2.174 151 H LYS 26 H LYS 26 2.109 -5.747 0.255 152 HA LYS 26 HA LYS 26 3.904 -3.499 0.659 153 HB2 LYS 26 HB2 LYS 26 3.670 -5.100 2.510 154 HB3 LYS 26 HB1 LYS 26 4.141 -6.414 1.449 155 HG2 LYS 26 HG2 LYS 26 5.955 -5.752 2.956 156 HG3 LYS 26 HG1 LYS 26 6.382 -5.506 1.264 157 HD2 LYS 26 HD2 LYS 26 5.922 -3.120 1.477 158 HD3 LYS 26 HD1 LYS 26 5.428 -3.350 3.155 159 HE2 LYS 26 HE2 LYS 26 7.740 -2.489 2.950 160 HE3 LYS 26 HE1 LYS 26 7.669 -4.054 3.756 161 HZ1 LYS 26 HZ1 LYS 26 8.338 -5.109 1.699 162 HZ2 LYS 26 HZ2 LYS 26 9.475 -3.972 2.125 163 HZ3 LYS 26 HZ3 LYS 26 8.376 -3.643 0.894 164 H THR 27 H THR 27 5.206 -2.948 -0.954 165 HA THR 27 HA THR 27 5.792 -4.804 -3.074 166 HB THR 27 HB THR 27 6.882 -2.692 -3.997 167 HG1 THR 27 HG1 THR 27 6.947 -1.007 -2.734 168 HG21 THR 27 HG21 THR 27 4.716 -1.640 -4.538 169 HG22 THR 27 HG22 THR 27 3.946 -2.575 -3.257 170 HG23 THR 27 HG23 THR 27 4.617 -3.395 -4.665 171 H ILE 28 H ILE 28 8.073 -4.876 -3.823 172 HA ILE 28 HA ILE 28 9.901 -5.422 -1.682 173 HB ILE 28 HB ILE 28 10.539 -5.140 -4.637 174 HG12 ILE 28 HG12 ILE 28 9.713 -7.654 -3.165 175 HG13 ILE 28 HG11 ILE 28 8.669 -6.743 -4.248 176 HG21 ILE 28 HG21 ILE 28 12.386 -6.682 -4.109 177 HG22 ILE 28 HG22 ILE 28 11.898 -6.677 -2.415 178 HG23 ILE 28 HG23 ILE 28 12.487 -5.194 -3.165 179 HD11 ILE 28 HD11 ILE 28 10.166 -7.211 -6.106 180 HD12 ILE 28 HD12 ILE 28 9.621 -8.704 -5.339 181 HD13 ILE 28 HD13 ILE 28 11.244 -8.089 -5.022 182 H ALA 29 H ALA 29 9.432 -2.959 -4.135 183 HA ALA 29 HA ALA 29 11.676 -1.406 -3.193 184 HB1 ALA 29 HB1 ALA 29 11.206 -1.525 -5.593 185 HB2 ALA 29 HB2 ALA 29 11.124 0.127 -4.987 186 HB3 ALA 29 HB3 ALA 29 9.636 -0.764 -5.318 187 HA PRO 30 HA PRO 30 9.088 0.690 -0.288 188 HB2 PRO 30 HB2 PRO 30 10.865 2.615 0.442 189 HB3 PRO 30 HB1 PRO 30 10.925 0.949 1.029 190 HG2 PRO 30 HG2 PRO 30 12.538 2.261 -1.107 191 HG3 PRO 30 HG1 PRO 30 13.035 1.074 0.109 192 HD2 PRO 30 HD2 PRO 30 12.504 0.447 -2.488 193 HD3 PRO 30 HD1 PRO 30 12.308 -0.702 -1.161 194 H CYS 31 H CYS 31 7.513 1.997 -0.784 195 HA CYS 31 HA CYS 31 7.846 4.077 -2.771 196 HB2 CYS 31 HB2 CYS 31 5.399 4.358 -2.429 197 HB3 CYS 31 HB1 CYS 31 5.842 2.706 -2.853 198 H LYS 32 H LYS 32 7.593 3.627 0.636 199 HA LYS 32 HA LYS 32 7.404 6.494 1.103 200 HB2 LYS 32 HB2 LYS 32 7.284 4.197 3.079 201 HB3 LYS 32 HB1 LYS 32 6.945 5.886 3.421 202 HG2 LYS 32 HG2 LYS 32 5.007 5.793 1.927 203 HG3 LYS 32 HG1 LYS 32 5.342 4.091 1.613 204 HD2 LYS 32 HD2 LYS 32 5.056 3.621 4.016 205 HD3 LYS 32 HD1 LYS 32 4.651 5.319 4.283 206 HE2 LYS 32 HE2 LYS 32 2.784 5.041 2.640 207 HE3 LYS 32 HE1 LYS 32 3.145 3.321 2.602 208 HZ1 LYS 32 HZ1 LYS 32 2.660 3.234 5.015 209 HZ2 LYS 32 HZ2 LYS 32 1.338 3.785 4.149 210 HZ3 LYS 32 HZ3 LYS 32 2.285 4.866 4.990 Start of MODEL 11 1 H1 CYS 1 HT1 CYS 1 -6.134 5.448 7.718 2 H2 CYS 1 HT2 CYS 1 -6.381 3.821 8.080 3 H3 CYS 1 HT3 CYS 1 -7.419 4.589 7.019 4 HA CYS 1 HA CYS 1 -5.646 4.853 5.439 5 HB2 CYS 1 HB2 CYS 1 -3.527 3.629 5.872 6 HB3 CYS 1 HB1 CYS 1 -3.773 4.962 6.993 7 H ALA 2 H ALA 2 -5.380 3.176 3.873 8 HA ALA 2 HA ALA 2 -7.195 0.980 4.274 9 HB1 ALA 2 HB1 ALA 2 -6.797 0.549 1.902 10 HB2 ALA 2 HB2 ALA 2 -5.517 1.759 1.894 11 HB3 ALA 2 HB3 ALA 2 -7.187 2.246 2.176 12 H VAL 3 H VAL 3 -6.634 -1.075 4.531 13 HA VAL 3 HA VAL 3 -3.832 -1.636 5.105 14 HB VAL 3 HB VAL 3 -4.614 -3.774 6.001 15 HG11 VAL 3 HG11 VAL 3 -6.217 -1.428 6.979 16 HG12 VAL 3 HG12 VAL 3 -4.595 -1.887 7.496 17 HG13 VAL 3 3HG1 VAL 3 -5.969 -2.930 7.867 18 HG21 VAL 3 HG21 VAL 3 -7.034 -4.298 6.114 19 HG22 VAL 3 HG22 VAL 3 -6.440 -4.213 4.452 20 HG23 VAL 3 HG23 VAL 3 -7.359 -2.874 5.115 21 H THR 4 H THR 4 -3.420 -4.181 4.470 22 HA THR 4 HA THR 4 -3.059 -4.144 1.692 23 HB THR 4 HB THR 4 -3.005 -6.547 3.548 24 HG1 THR 4 HG1 THR 4 -1.512 -5.099 4.294 25 HG21 THR 4 HG21 THR 4 -1.747 -6.067 0.839 26 HG22 THR 4 HG22 THR 4 -3.061 -7.188 1.195 27 HG23 THR 4 HG23 THR 4 -1.450 -7.471 1.859 28 H HIS 5 H HIS 5 -4.260 -4.876 0.098 29 HA HIS 5 HA HIS 5 -5.776 -5.960 -1.120 30 HB2 HIS 5 HB2 HIS 5 -6.939 -7.103 1.435 31 HB3 HIS 5 HB1 HIS 5 -7.548 -7.468 -0.176 32 HD1 HIS 5 HD1 HIS 5 -5.577 -9.065 2.246 33 HD2 HIS 5 HD2 HIS 5 -5.059 -8.318 -1.808 34 HE1 HIS 5 HE1 HIS 5 -3.865 -10.713 1.446 35 H GLU 6 H GLU 6 -6.472 -3.619 1.134 36 HA GLU 6 HA GLU 6 -9.052 -3.016 -0.004 37 HB2 GLU 6 HB2 GLU 6 -7.224 -1.498 1.866 38 HB3 GLU 6 HB1 GLU 6 -8.716 -0.788 1.240 39 HG2 GLU 6 HG2 GLU 6 -9.870 -2.764 2.327 40 HG3 GLU 6 HG1 GLU 6 -8.326 -3.103 3.110 41 H LYS 7 H LYS 7 -9.426 -1.255 -1.421 42 HA LYS 7 HA LYS 7 -7.408 -0.939 -3.392 43 HB2 LYS 7 HB2 LYS 7 -8.945 0.649 -4.482 44 HB3 LYS 7 HB1 LYS 7 -9.743 -0.853 -4.052 45 HG2 LYS 7 HG2 LYS 7 -10.695 0.268 -2.062 46 HG3 LYS 7 HG1 LYS 7 -9.957 1.774 -2.591 47 HD2 LYS 7 HD2 LYS 7 -11.960 0.169 -4.181 48 HD3 LYS 7 HD1 LYS 7 -12.340 1.582 -3.204 49 HE2 LYS 7 HE2 LYS 7 -10.443 1.576 -5.552 50 HE3 LYS 7 HE1 LYS 7 -12.135 2.047 -5.636 51 HZ1 LYS 7 HZ1 LYS 7 -11.626 3.824 -4.016 52 HZ2 LYS 7 HZ2 LYS 7 -10.759 3.976 -5.439 53 HZ3 LYS 7 HZ3 LYS 7 -9.996 3.399 -4.078 54 H CYS 8 H CYS 8 -6.324 1.056 -4.046 55 HA CYS 8 HA CYS 8 -5.863 2.733 -1.681 56 HB2 CYS 8 HB2 CYS 8 -3.542 2.974 -2.470 57 HB3 CYS 8 HB1 CYS 8 -3.968 1.317 -2.060 58 H SER 9 H SER 9 -5.719 4.880 -1.907 59 HA SER 9 HA SER 9 -6.473 6.023 -4.463 60 HB2 SER 9 HB2 SER 9 -5.845 7.451 -1.877 61 HB3 SER 9 HB1 SER 9 -6.847 8.023 -3.218 62 HG SER 9 HG SER 9 -7.352 5.993 -1.345 63 H ASP 10 H ASP 10 -3.800 6.045 -2.133 64 HA ASP 10 HA ASP 10 -1.831 6.545 -4.118 65 HB2 ASP 10 HB2 ASP 10 -0.928 8.576 -3.116 66 HB3 ASP 10 HB1 ASP 10 -2.602 8.881 -3.558 67 H ASP 11 H ASP 11 0.343 6.838 -2.629 68 HA ASP 11 HA ASP 11 0.461 4.323 -1.299 69 HB2 ASP 11 HB2 ASP 11 2.542 6.514 -1.427 70 HB3 ASP 11 HB1 ASP 11 2.814 4.941 -0.693 71 H TYR 12 H TYR 12 0.096 7.601 -0.128 72 HA TYR 12 HA TYR 12 0.746 6.818 2.569 73 HB2 TYR 12 HB2 TYR 12 -0.273 9.433 1.449 74 HB3 TYR 12 HB1 TYR 12 0.195 9.168 3.126 75 HD1 TYR 12 HD1 TYR 12 1.377 9.746 -0.263 76 HD2 TYR 12 HD2 TYR 12 2.561 8.754 3.699 77 HE1 TYR 12 HE1 TYR 12 3.706 10.285 -0.828 78 HE2 TYR 12 HE2 TYR 12 4.889 9.294 3.146 79 HH TYR 12 HH TYR 12 6.307 9.443 1.211 80 H ASP 13 H ASP 13 -1.841 6.594 0.587 81 HA ASP 13 HA ASP 13 -3.933 6.896 2.526 82 HB2 ASP 13 HB2 ASP 13 -4.353 7.262 0.134 83 HB3 ASP 13 HB1 ASP 13 -3.877 5.612 -0.213 84 H CYS 14 H CYS 14 -1.680 4.553 1.618 85 HA CYS 14 HA CYS 14 -3.108 2.309 2.780 86 HB2 CYS 14 HB2 CYS 14 -0.343 2.471 1.577 87 HB3 CYS 14 HB1 CYS 14 -1.223 1.004 2.011 88 H CYS 15 H CYS 15 -2.466 1.271 4.625 89 HA CYS 15 HA CYS 15 -1.349 2.781 6.722 90 HB2 CYS 15 HB2 CYS 15 -1.789 -0.195 6.546 91 HB3 CYS 15 HB1 CYS 15 -1.482 0.712 8.019 92 H GLY 16 H GLY 16 0.593 2.729 7.735 93 HA2 GLY 16 HA2 GLY 16 2.800 2.417 8.139 94 HA3 GLY 16 HA1 GLY 16 2.508 0.742 7.717 95 H SER 17 H SER 17 4.036 0.099 6.368 96 HA SER 17 HA SER 17 5.178 2.007 4.528 97 HB2 SER 17 HB2 SER 17 6.863 0.087 4.255 98 HB3 SER 17 HB1 SER 17 6.837 0.960 5.786 99 HG SER 17 HG SER 17 6.850 -1.064 6.344 100 H LEU 18 H LEU 18 2.553 0.295 4.274 101 HA LEU 18 HA LEU 18 2.959 -1.339 1.966 102 HB2 LEU 18 HB2 LEU 18 0.421 -0.026 2.934 103 HB3 LEU 18 HB1 LEU 18 0.520 -1.332 1.773 104 HG LEU 18 HG LEU 18 1.216 -1.498 4.703 105 HD11 LEU 18 HD11 LEU 18 -1.157 -1.278 4.316 106 HD12 LEU 18 HD12 LEU 18 -0.769 -2.920 4.834 107 HD13 LEU 18 HD13 LEU 18 -1.103 -2.584 3.133 108 HD21 LEU 18 HD21 LEU 18 2.601 -3.013 3.381 109 HD22 LEU 18 HD22 LEU 18 1.163 -3.647 2.581 110 HD23 LEU 18 HD23 LEU 18 1.402 -3.912 4.309 111 H CYS 19 H CYS 19 2.246 -0.845 -0.184 112 HA CYS 19 HA CYS 19 2.313 2.023 -0.760 113 HB2 CYS 19 HB2 CYS 19 3.644 -0.203 -2.325 114 HB3 CYS 19 HB1 CYS 19 3.648 1.504 -2.755 115 H CYS 20 H CYS 20 1.469 2.429 -3.012 116 HA CYS 20 HA CYS 20 -1.080 0.990 -3.233 117 HB2 CYS 20 HB2 CYS 20 -1.189 3.403 -2.974 118 HB3 CYS 20 HB1 CYS 20 -0.134 3.625 -4.358 119 H VAL 21 H VAL 21 -1.185 -0.577 -4.589 120 HA VAL 21 HA VAL 21 -0.369 -0.099 -7.290 121 HB VAL 21 HB VAL 21 1.548 -1.344 -6.451 122 HG11 VAL 21 HG11 VAL 21 0.621 -2.391 -4.501 123 HG12 VAL 21 HG12 VAL 21 1.407 -3.601 -5.514 124 HG13 VAL 21 3HG1 VAL 21 -0.353 -3.470 -5.501 125 HG21 VAL 21 HG21 VAL 21 0.913 -1.875 -8.722 126 HG22 VAL 21 HG22 VAL 21 -0.218 -3.100 -8.157 127 HG23 VAL 21 HG23 VAL 21 1.516 -3.338 -7.938 128 H GLY 22 H GLY 22 -2.633 0.363 -7.093 129 HA2 GLY 22 HA2 GLY 22 -4.745 -0.237 -7.947 130 HA3 GLY 22 HA1 GLY 22 -4.271 -1.936 -7.850 131 H ILE 23 H ILE 23 -3.543 -2.360 -5.505 132 HA ILE 23 HA ILE 23 -5.527 -1.428 -3.579 133 HB ILE 23 HB ILE 23 -5.373 -3.697 -2.531 134 HG12 ILE 23 HG12 ILE 23 -3.948 -4.485 -5.095 135 HG13 ILE 23 HG11 ILE 23 -3.186 -4.341 -3.518 136 HG21 ILE 23 HG21 ILE 23 -6.819 -4.880 -4.132 137 HG22 ILE 23 HG22 ILE 23 -6.402 -3.692 -5.367 138 HG23 ILE 23 HG23 ILE 23 -7.287 -3.193 -3.925 139 HD11 ILE 23 HD11 ILE 23 -4.528 -6.190 -2.690 140 HD12 ILE 23 HD12 ILE 23 -3.632 -6.663 -4.132 141 HD13 ILE 23 HD13 ILE 23 -5.356 -6.300 -4.242 142 H CYS 24 H CYS 24 -4.630 -1.632 -1.375 143 HA CYS 24 HA CYS 24 -1.884 -0.840 -1.311 144 HB2 CYS 24 HB2 CYS 24 -3.838 -1.448 0.913 145 HB3 CYS 24 HB1 CYS 24 -2.225 -0.786 1.152 146 H ALA 25 H ALA 25 -0.196 -2.107 -1.052 147 HA ALA 25 HA ALA 25 -0.407 -4.667 0.238 148 HB1 ALA 25 HB1 ALA 25 0.382 -4.459 -2.677 149 HB2 ALA 25 HB2 ALA 25 -1.089 -5.212 -2.062 150 HB3 ALA 25 HB3 ALA 25 0.485 -5.912 -1.683 151 H LYS 26 H LYS 26 1.790 -5.654 0.325 152 HA LYS 26 HA LYS 26 3.708 -3.540 0.778 153 HB2 LYS 26 HB2 LYS 26 3.342 -5.362 2.462 154 HB3 LYS 26 HB1 LYS 26 3.971 -6.513 1.291 155 HG2 LYS 26 HG2 LYS 26 5.702 -5.956 2.862 156 HG3 LYS 26 HG1 LYS 26 6.112 -5.273 1.288 157 HD2 LYS 26 HD2 LYS 26 5.222 -3.090 2.022 158 HD3 LYS 26 HD1 LYS 26 4.867 -3.786 3.598 159 HE2 LYS 26 HE2 LYS 26 6.934 -2.529 3.672 160 HE3 LYS 26 HE1 LYS 26 7.246 -4.245 3.920 161 HZ1 LYS 26 HZ1 LYS 26 8.017 -4.412 1.632 162 HZ2 LYS 26 HZ2 LYS 26 8.842 -3.186 2.418 163 HZ3 LYS 26 HZ3 LYS 26 7.622 -2.801 1.347 164 H THR 27 H THR 27 5.275 -3.089 -0.653 165 HA THR 27 HA THR 27 5.596 -4.860 -2.923 166 HB THR 27 HB THR 27 6.811 -2.837 -3.869 167 HG1 THR 27 HG1 THR 27 7.181 -1.248 -2.572 168 HG21 THR 27 HG21 THR 27 4.472 -3.309 -4.445 169 HG22 THR 27 HG22 THR 27 4.745 -1.571 -4.311 170 HG23 THR 27 HG23 THR 27 3.939 -2.442 -3.005 171 H ILE 28 H ILE 28 7.802 -5.250 -3.680 172 HA ILE 28 HA ILE 28 9.558 -6.016 -1.568 173 HB ILE 28 HB ILE 28 10.085 -5.887 -4.566 174 HG12 ILE 28 HG12 ILE 28 9.151 -8.227 -2.876 175 HG13 ILE 28 HG11 ILE 28 8.137 -7.307 -3.978 176 HG21 ILE 28 HG21 ILE 28 11.856 -7.538 -4.116 177 HG22 ILE 28 HG22 ILE 28 11.514 -7.430 -2.389 178 HG23 ILE 28 HG23 ILE 28 12.146 -6.027 -3.252 179 HD11 ILE 28 HD11 ILE 28 9.501 -8.066 -5.859 180 HD12 ILE 28 HD12 ILE 28 8.826 -9.421 -4.956 181 HD13 ILE 28 HD13 ILE 28 10.521 -8.980 -4.746 182 H ALA 29 H ALA 29 9.502 -3.546 -4.048 183 HA ALA 29 HA ALA 29 11.788 -2.176 -2.891 184 HB1 ALA 29 HB1 ALA 29 11.525 -0.637 -4.811 185 HB2 ALA 29 HB2 ALA 29 10.084 -1.525 -5.306 186 HB3 ALA 29 HB3 ALA 29 11.658 -2.317 -5.330 187 HA PRO 30 HA PRO 30 8.760 -0.020 -0.329 188 HB2 PRO 30 HB2 PRO 30 11.023 1.642 0.521 189 HB3 PRO 30 HB1 PRO 30 10.009 0.563 1.472 190 HG2 PRO 30 HG2 PRO 30 12.578 -0.014 0.893 191 HG3 PRO 30 HG1 PRO 30 11.337 -1.259 1.086 192 HD2 PRO 30 HD2 PRO 30 12.542 -0.148 -1.409 193 HD3 PRO 30 HD1 PRO 30 12.063 -1.813 -1.005 194 H CYS 31 H CYS 31 7.695 1.913 -0.387 195 HA CYS 31 HA CYS 31 8.555 3.870 -2.405 196 HB2 CYS 31 HB2 CYS 31 6.156 4.530 -2.408 197 HB3 CYS 31 HB1 CYS 31 6.391 2.839 -2.845 198 H LYS 32 H LYS 32 8.259 3.296 0.884 199 HA LYS 32 HA LYS 32 8.187 6.151 1.520 200 HB2 LYS 32 HB2 LYS 32 7.226 3.762 3.104 201 HB3 LYS 32 HB1 LYS 32 7.312 5.401 3.736 202 HG2 LYS 32 HG2 LYS 32 5.653 6.172 2.279 203 HG3 LYS 32 HG1 LYS 32 5.765 4.734 1.266 204 HD2 LYS 32 HD2 LYS 32 4.829 3.394 3.039 205 HD3 LYS 32 HD1 LYS 32 4.770 4.802 4.108 206 HE2 LYS 32 HE2 LYS 32 3.189 5.883 2.676 207 HE3 LYS 32 HE1 LYS 32 3.372 4.629 1.453 208 HZ1 LYS 32 HZ1 LYS 32 2.311 4.143 4.177 209 HZ2 LYS 32 HZ2 LYS 32 2.324 3.069 2.847 210 HZ3 LYS 32 HZ3 LYS 32 1.357 4.442 2.817 Start of MODEL 12 1 H1 CYS 1 HT1 CYS 1 -6.340 4.770 7.616 2 H2 CYS 1 HT2 CYS 1 -7.211 5.579 6.429 3 H3 CYS 1 HT3 CYS 1 -5.799 6.276 7.074 4 HA CYS 1 HA CYS 1 -5.409 5.345 4.902 5 HB2 CYS 1 HB2 CYS 1 -3.495 3.904 5.532 6 HB3 CYS 1 HB1 CYS 1 -3.549 5.385 6.472 7 H ALA 2 H ALA 2 -5.375 3.535 3.542 8 HA ALA 2 HA ALA 2 -7.396 1.554 4.116 9 HB1 ALA 2 HB1 ALA 2 -7.269 2.576 1.886 10 HB2 ALA 2 HB2 ALA 2 -6.988 0.839 1.799 11 HB3 ALA 2 HB3 ALA 2 -5.629 1.957 1.694 12 H VAL 3 H VAL 3 -6.978 -0.618 4.439 13 HA VAL 3 HA VAL 3 -4.263 -1.125 5.365 14 HB VAL 3 HB VAL 3 -5.126 -3.047 6.532 15 HG11 VAL 3 HG11 VAL 3 -6.992 -0.714 6.846 16 HG12 VAL 3 HG12 VAL 3 -5.437 -0.930 7.643 17 HG13 VAL 3 3HG1 VAL 3 -6.780 -2.013 8.017 18 HG21 VAL 3 HG21 VAL 3 -7.738 -2.523 5.122 19 HG22 VAL 3 HG22 VAL 3 -7.520 -3.698 6.425 20 HG23 VAL 3 HG23 VAL 3 -6.683 -3.911 4.883 21 H THR 4 H THR 4 -3.772 -3.654 5.094 22 HA THR 4 HA THR 4 -2.969 -4.068 2.499 23 HB THR 4 HB THR 4 -3.600 -6.235 4.522 24 HG1 THR 4 HG1 THR 4 -2.237 -5.014 5.633 25 HG21 THR 4 HG21 THR 4 -3.017 -7.039 2.261 26 HG22 THR 4 HG22 THR 4 -1.758 -7.431 3.429 27 HG23 THR 4 HG23 THR 4 -1.534 -6.085 2.310 28 H HIS 5 H HIS 5 -3.888 -4.801 0.732 29 HA HIS 5 HA HIS 5 -5.215 -5.777 -0.762 30 HB2 HIS 5 HB2 HIS 5 -6.658 -7.097 1.550 31 HB3 HIS 5 HB1 HIS 5 -6.951 -7.458 -0.146 32 HD1 HIS 5 HD1 HIS 5 -5.313 -8.902 2.578 33 HD2 HIS 5 HD2 HIS 5 -4.174 -8.153 -1.347 34 HE1 HIS 5 HE1 HIS 5 -3.392 -10.476 2.085 35 H GLU 6 H GLU 6 -6.245 -3.407 1.253 36 HA GLU 6 HA GLU 6 -8.829 -3.135 -0.043 37 HB2 GLU 6 HB2 GLU 6 -7.341 -1.345 1.889 38 HB3 GLU 6 HB1 GLU 6 -8.887 -0.898 1.160 39 HG2 GLU 6 HG2 GLU 6 -9.764 -3.014 2.222 40 HG3 GLU 6 HG1 GLU 6 -8.244 -3.065 3.116 41 H LYS 7 H LYS 7 -9.294 -1.191 -1.313 42 HA LYS 7 HA LYS 7 -7.311 -0.866 -3.321 43 HB2 LYS 7 HB2 LYS 7 -9.874 0.665 -2.877 44 HB3 LYS 7 HB1 LYS 7 -8.889 0.732 -4.332 45 HG2 LYS 7 HG2 LYS 7 -9.287 -1.663 -4.691 46 HG3 LYS 7 HG1 LYS 7 -10.326 -1.686 -3.264 47 HD2 LYS 7 HD2 LYS 7 -11.786 -0.018 -4.325 48 HD3 LYS 7 HD1 LYS 7 -10.749 -0.044 -5.753 49 HE2 LYS 7 HE2 LYS 7 -11.230 -2.459 -5.997 50 HE3 LYS 7 HE1 LYS 7 -12.357 -2.337 -4.647 51 HZ1 LYS 7 HZ1 LYS 7 -13.493 -2.188 -6.756 52 HZ2 LYS 7 HZ2 LYS 7 -12.561 -0.851 -7.204 53 HZ3 LYS 7 HZ3 LYS 7 -13.642 -0.732 -5.920 54 H CYS 8 H CYS 8 -6.196 1.012 -3.895 55 HA CYS 8 HA CYS 8 -5.692 2.770 -1.587 56 HB2 CYS 8 HB2 CYS 8 -3.390 2.921 -2.480 57 HB3 CYS 8 HB1 CYS 8 -3.846 1.295 -1.981 58 H SER 9 H SER 9 -5.724 4.922 -1.921 59 HA SER 9 HA SER 9 -6.253 5.872 -4.619 60 HB2 SER 9 HB2 SER 9 -6.164 7.360 -1.981 61 HB3 SER 9 HB1 SER 9 -6.750 8.010 -3.514 62 HG SER 9 HG SER 9 -7.827 5.863 -2.017 63 H ASP 10 H ASP 10 -3.744 5.589 -2.295 64 HA ASP 10 HA ASP 10 -1.728 6.518 -4.060 65 HB2 ASP 10 HB2 ASP 10 -2.438 8.716 -3.197 66 HB3 ASP 10 HB1 ASP 10 -2.326 8.110 -1.545 67 H ASP 11 H ASP 11 0.406 6.288 -2.889 68 HA ASP 11 HA ASP 11 0.529 3.727 -1.622 69 HB2 ASP 11 HB2 ASP 11 2.682 5.845 -1.813 70 HB3 ASP 11 HB1 ASP 11 2.939 4.177 -1.337 71 H TYR 12 H TYR 12 0.696 7.060 -0.483 72 HA TYR 12 HA TYR 12 1.304 6.184 2.185 73 HB2 TYR 12 HB2 TYR 12 0.785 8.948 1.081 74 HB3 TYR 12 HB1 TYR 12 1.262 8.603 2.743 75 HD1 TYR 12 HD1 TYR 12 2.377 8.896 -0.712 76 HD2 TYR 12 HD2 TYR 12 3.538 7.778 3.221 77 HE1 TYR 12 HE1 TYR 12 4.741 8.986 -1.386 78 HE2 TYR 12 HE2 TYR 12 5.902 7.866 2.551 79 HH TYR 12 HH TYR 12 7.181 7.615 0.350 80 H ASP 13 H ASP 13 -1.375 6.365 0.336 81 HA ASP 13 HA ASP 13 -3.311 7.053 2.360 82 HB2 ASP 13 HB2 ASP 13 -3.909 7.482 0.066 83 HB3 ASP 13 HB1 ASP 13 -3.468 5.860 -0.418 84 H CYS 14 H CYS 14 -1.424 4.409 1.518 85 HA CYS 14 HA CYS 14 -3.127 2.412 2.760 86 HB2 CYS 14 HB2 CYS 14 -0.394 2.212 1.506 87 HB3 CYS 14 HB1 CYS 14 -1.381 0.859 2.053 88 H CYS 15 H CYS 15 -2.669 1.448 4.676 89 HA CYS 15 HA CYS 15 -1.249 2.876 6.660 90 HB2 CYS 15 HB2 CYS 15 -2.194 0.007 6.748 91 HB3 CYS 15 HB1 CYS 15 -1.833 1.035 8.126 92 H GLY 16 H GLY 16 0.555 2.112 7.925 93 HA2 GLY 16 HA2 GLY 16 2.601 1.181 8.311 94 HA3 GLY 16 HA1 GLY 16 2.001 -0.225 7.454 95 H SER 17 H SER 17 3.810 -0.708 6.326 96 HA SER 17 HA SER 17 5.112 1.356 4.760 97 HB2 SER 17 HB2 SER 17 6.739 -0.589 4.334 98 HB3 SER 17 HB1 SER 17 6.651 0.053 5.976 99 HG SER 17 HG SER 17 5.632 -1.676 6.644 100 H LEU 18 H LEU 18 2.422 -0.047 4.205 101 HA LEU 18 HA LEU 18 2.753 -1.568 1.831 102 HB2 LEU 18 HB2 LEU 18 0.355 -0.078 2.844 103 HB3 LEU 18 HB1 LEU 18 0.344 -1.263 1.557 104 HG LEU 18 HG LEU 18 0.988 -1.812 4.450 105 HD11 LEU 18 HD11 LEU 18 -1.166 -2.963 4.441 106 HD12 LEU 18 HD12 LEU 18 -1.437 -2.413 2.786 107 HD13 LEU 18 HD13 LEU 18 -1.335 -1.240 4.099 108 HD21 LEU 18 HD21 LEU 18 0.678 -3.659 2.086 109 HD22 LEU 18 HD22 LEU 18 0.817 -4.178 3.759 110 HD23 LEU 18 HD23 LEU 18 2.165 -3.351 2.981 111 H CYS 19 H CYS 19 2.000 -0.965 -0.261 112 HA CYS 19 HA CYS 19 2.249 1.865 -0.879 113 HB2 CYS 19 HB2 CYS 19 3.454 -0.511 -2.281 114 HB3 CYS 19 HB1 CYS 19 3.439 1.115 -2.948 115 H CYS 20 H CYS 20 1.486 2.096 -3.286 116 HA CYS 20 HA CYS 20 -1.148 0.859 -3.350 117 HB2 CYS 20 HB2 CYS 20 -1.015 3.317 -3.265 118 HB3 CYS 20 HB1 CYS 20 -0.080 3.310 -4.750 119 H VAL 21 H VAL 21 -1.451 -0.706 -4.713 120 HA VAL 21 HA VAL 21 -0.267 -0.617 -7.369 121 HB VAL 21 HB VAL 21 1.191 -2.058 -5.960 122 HG11 VAL 21 HG11 VAL 21 0.423 -4.190 -5.044 123 HG12 VAL 21 HG12 VAL 21 -1.241 -3.717 -5.410 124 HG13 VAL 21 3HG1 VAL 21 -0.280 -2.774 -4.267 125 HG21 VAL 21 HG21 VAL 21 1.049 -2.656 -8.279 126 HG22 VAL 21 HG22 VAL 21 -0.393 -3.628 -7.985 127 HG23 VAL 21 HG23 VAL 21 1.161 -4.130 -7.314 128 H GLY 22 H GLY 22 -2.717 0.201 -6.565 129 HA2 GLY 22 HA2 GLY 22 -4.904 -0.080 -7.487 130 HA3 GLY 22 HA1 GLY 22 -4.564 -1.812 -7.655 131 H ILE 23 H ILE 23 -3.660 -2.571 -5.456 132 HA ILE 23 HA ILE 23 -5.518 -1.796 -3.337 133 HB ILE 23 HB ILE 23 -5.139 -4.059 -2.378 134 HG12 ILE 23 HG12 ILE 23 -3.768 -4.672 -5.016 135 HG13 ILE 23 HG11 ILE 23 -2.948 -4.496 -3.471 136 HG21 ILE 23 HG21 ILE 23 -7.133 -3.658 -3.689 137 HG22 ILE 23 HG22 ILE 23 -6.553 -5.303 -3.949 138 HG23 ILE 23 HG23 ILE 23 -6.266 -4.065 -5.171 139 HD11 ILE 23 HD11 ILE 23 -4.975 -6.610 -4.166 140 HD12 ILE 23 HD12 ILE 23 -4.142 -6.443 -2.620 141 HD13 ILE 23 HD13 ILE 23 -3.227 -6.831 -4.077 142 H CYS 24 H CYS 24 -4.541 -2.022 -1.201 143 HA CYS 24 HA CYS 24 -1.884 -0.971 -1.168 144 HB2 CYS 24 HB2 CYS 24 -3.794 -1.679 1.050 145 HB3 CYS 24 HB1 CYS 24 -2.225 -0.915 1.295 146 H ALA 25 H ALA 25 -0.197 -2.156 -1.316 147 HA ALA 25 HA ALA 25 0.158 -4.527 0.292 148 HB1 ALA 25 HB1 ALA 25 -0.792 -5.459 -1.773 149 HB2 ALA 25 HB2 ALA 25 0.918 -5.876 -1.652 150 HB3 ALA 25 HB3 ALA 25 0.401 -4.581 -2.730 151 H LYS 26 H LYS 26 2.442 -4.917 0.580 152 HA LYS 26 HA LYS 26 4.003 -2.529 0.053 153 HB2 LYS 26 HB2 LYS 26 4.200 -3.634 2.275 154 HB3 LYS 26 HB1 LYS 26 4.824 -5.072 1.473 155 HG2 LYS 26 HG2 LYS 26 6.759 -3.798 0.680 156 HG3 LYS 26 HG1 LYS 26 6.142 -2.363 1.489 157 HD2 LYS 26 HD2 LYS 26 7.897 -3.422 2.814 158 HD3 LYS 26 HD1 LYS 26 6.350 -3.497 3.654 159 HE2 LYS 26 HE2 LYS 26 6.070 -5.805 3.065 160 HE3 LYS 26 HE1 LYS 26 7.470 -5.764 2.002 161 HZ1 LYS 26 HZ1 LYS 26 8.876 -5.423 3.925 162 HZ2 LYS 26 HZ2 LYS 26 7.957 -6.817 4.102 163 HZ3 LYS 26 HZ3 LYS 26 7.542 -5.438 4.963 164 H THR 27 H THR 27 5.241 -2.294 -1.664 165 HA THR 27 HA THR 27 5.504 -4.394 -3.530 166 HB THR 27 HB THR 27 6.848 -2.524 -4.707 167 HG1 THR 27 HG1 THR 27 7.319 -1.067 -3.121 168 HG21 THR 27 HG21 THR 27 4.777 -1.338 -5.302 169 HG22 THR 27 HG22 THR 27 3.960 -2.069 -3.920 170 HG23 THR 27 HG23 THR 27 4.510 -3.080 -5.256 171 H ILE 28 H ILE 28 7.850 -4.497 -4.629 172 HA ILE 28 HA ILE 28 9.586 -5.824 -2.853 173 HB ILE 28 HB ILE 28 10.260 -4.569 -5.541 174 HG12 ILE 28 HG12 ILE 28 8.428 -6.177 -5.777 175 HG13 ILE 28 HG11 ILE 28 9.895 -6.809 -6.509 176 HG21 ILE 28 HG21 ILE 28 12.112 -6.181 -5.656 177 HG22 ILE 28 HG22 ILE 28 11.730 -6.719 -4.021 178 HG23 ILE 28 HG23 ILE 28 12.279 -5.066 -4.297 179 HD11 ILE 28 HD11 ILE 28 8.750 -7.594 -3.836 180 HD12 ILE 28 HD12 ILE 28 10.250 -8.211 -4.523 181 HD13 ILE 28 HD13 ILE 28 8.713 -8.548 -5.319 182 H ALA 29 H ALA 29 9.658 -2.611 -4.248 183 HA ALA 29 HA ALA 29 11.651 -1.812 -2.272 184 HB1 ALA 29 HB1 ALA 29 11.962 0.156 -3.690 185 HB2 ALA 29 HB2 ALA 29 10.723 -0.439 -4.797 186 HB3 ALA 29 HB3 ALA 29 12.233 -1.333 -4.595 187 HA PRO 30 HA PRO 30 8.018 -0.126 -0.169 188 HB2 PRO 30 HB2 PRO 30 10.143 1.097 1.492 189 HB3 PRO 30 HB1 PRO 30 8.749 0.134 1.998 190 HG2 PRO 30 HG2 PRO 30 11.195 -0.912 2.038 191 HG3 PRO 30 HG1 PRO 30 9.805 -1.880 1.515 192 HD2 PRO 30 HD2 PRO 30 11.920 -0.562 -0.145 193 HD3 PRO 30 HD1 PRO 30 11.148 -2.150 -0.335 194 H CYS 31 H CYS 31 6.982 1.718 -0.479 195 HA CYS 31 HA CYS 31 8.246 3.890 -1.884 196 HB2 CYS 31 HB2 CYS 31 5.853 4.670 -1.994 197 HB3 CYS 31 HB1 CYS 31 6.173 3.096 -2.730 198 H LYS 32 H LYS 32 7.717 3.141 1.332 199 HA LYS 32 HA LYS 32 7.598 5.967 2.040 200 HB2 LYS 32 HB2 LYS 32 6.828 3.578 3.769 201 HB3 LYS 32 HB1 LYS 32 6.858 5.252 4.294 202 HG2 LYS 32 HG2 LYS 32 5.129 5.643 2.486 203 HG3 LYS 32 HG1 LYS 32 5.007 3.881 2.393 204 HD2 LYS 32 HD2 LYS 32 4.544 3.789 4.794 205 HD3 LYS 32 HD1 LYS 32 4.660 5.546 4.871 206 HE2 LYS 32 HE2 LYS 32 2.382 5.130 4.779 207 HE3 LYS 32 HE1 LYS 32 2.877 5.572 3.135 208 HZ1 LYS 32 HZ1 LYS 32 2.768 3.209 2.490 209 HZ2 LYS 32 HZ2 LYS 32 1.326 3.640 3.265 210 HZ3 LYS 32 HZ3 LYS 32 2.509 2.825 4.116 Start of MODEL 13 1 H1 CYS 1 HT1 CYS 1 -6.148 6.012 7.275 2 H2 CYS 1 HT2 CYS 1 -6.430 4.369 7.644 3 H3 CYS 1 HT3 CYS 1 -7.484 5.192 6.631 4 HA CYS 1 HA CYS 1 -5.898 5.365 4.960 5 HB2 CYS 1 HB2 CYS 1 -3.694 4.147 5.268 6 HB3 CYS 1 HB1 CYS 1 -3.860 5.623 6.207 7 H ALA 2 H ALA 2 -5.216 3.414 3.593 8 HA ALA 2 HA ALA 2 -7.258 1.396 4.028 9 HB1 ALA 2 HB1 ALA 2 -7.076 2.450 1.824 10 HB2 ALA 2 HB2 ALA 2 -6.755 0.721 1.730 11 HB3 ALA 2 HB3 ALA 2 -5.419 1.870 1.682 12 H VAL 3 H VAL 3 -6.830 -0.681 4.558 13 HA VAL 3 HA VAL 3 -4.097 -1.240 5.365 14 HB VAL 3 HB VAL 3 -4.948 -3.189 6.516 15 HG11 VAL 3 HG11 VAL 3 -6.508 -2.167 8.100 16 HG12 VAL 3 HG12 VAL 3 -6.737 -0.822 6.983 17 HG13 VAL 3 3HG1 VAL 3 -5.154 -1.109 7.704 18 HG21 VAL 3 HG21 VAL 3 -7.606 -2.570 5.242 19 HG22 VAL 3 HG22 VAL 3 -7.342 -3.796 6.486 20 HG23 VAL 3 HG23 VAL 3 -6.584 -3.963 4.900 21 H THR 4 H THR 4 -3.749 -3.818 5.105 22 HA THR 4 HA THR 4 -2.918 -4.227 2.513 23 HB THR 4 HB THR 4 -3.618 -6.445 4.457 24 HG1 THR 4 HG1 THR 4 -2.355 -5.028 5.625 25 HG21 THR 4 HG21 THR 4 -2.912 -7.144 2.203 26 HG22 THR 4 HG22 THR 4 -1.687 -7.554 3.406 27 HG23 THR 4 HG23 THR 4 -1.463 -6.153 2.355 28 H HIS 5 H HIS 5 -3.868 -4.796 0.726 29 HA HIS 5 HA HIS 5 -5.190 -5.639 -0.808 30 HB2 HIS 5 HB2 HIS 5 -6.503 -7.181 1.424 31 HB3 HIS 5 HB1 HIS 5 -7.005 -7.323 -0.257 32 HD1 HIS 5 HD1 HIS 5 -4.586 -8.651 2.149 33 HD2 HIS 5 HD2 HIS 5 -4.914 -8.341 -1.979 34 HE1 HIS 5 HE1 HIS 5 -2.882 -10.240 1.188 35 H GLU 6 H GLU 6 -6.205 -3.413 1.326 36 HA GLU 6 HA GLU 6 -8.810 -3.060 0.126 37 HB2 GLU 6 HB2 GLU 6 -7.209 -1.361 2.027 38 HB3 GLU 6 HB1 GLU 6 -8.718 -0.798 1.315 39 HG2 GLU 6 HG2 GLU 6 -9.738 -2.875 2.345 40 HG3 GLU 6 HG1 GLU 6 -8.230 -3.014 3.255 41 H LYS 7 H LYS 7 -9.352 -1.080 -1.081 42 HA LYS 7 HA LYS 7 -7.582 -0.719 -3.232 43 HB2 LYS 7 HB2 LYS 7 -10.052 -0.629 -3.353 44 HB3 LYS 7 HB1 LYS 7 -10.016 0.848 -2.398 45 HG2 LYS 7 HG2 LYS 7 -8.739 1.931 -4.141 46 HG3 LYS 7 HG1 LYS 7 -8.822 0.450 -5.107 47 HD2 LYS 7 HD2 LYS 7 -11.294 0.608 -5.052 48 HD3 LYS 7 HD1 LYS 7 -11.152 2.149 -4.202 49 HE2 LYS 7 HE2 LYS 7 -11.523 2.561 -6.548 50 HE3 LYS 7 HE1 LYS 7 -9.881 3.034 -6.115 51 HZ1 LYS 7 HZ1 LYS 7 -9.056 0.988 -7.080 52 HZ2 LYS 7 HZ2 LYS 7 -9.994 1.797 -8.217 53 HZ3 LYS 7 HZ3 LYS 7 -10.624 0.475 -7.413 54 H CYS 8 H CYS 8 -6.299 1.058 -3.707 55 HA CYS 8 HA CYS 8 -5.847 2.913 -1.477 56 HB2 CYS 8 HB2 CYS 8 -3.517 3.039 -2.370 57 HB3 CYS 8 HB1 CYS 8 -3.965 1.470 -1.710 58 H SER 9 H SER 9 -5.685 5.045 -1.928 59 HA SER 9 HA SER 9 -6.311 5.862 -4.655 60 HB2 SER 9 HB2 SER 9 -6.156 7.497 -2.114 61 HB3 SER 9 HB1 SER 9 -6.863 7.985 -3.660 62 HG SER 9 HG SER 9 -7.772 6.076 -1.809 63 H ASP 10 H ASP 10 -3.728 5.621 -2.429 64 HA ASP 10 HA ASP 10 -1.767 6.594 -4.231 65 HB2 ASP 10 HB2 ASP 10 -2.549 8.771 -3.304 66 HB3 ASP 10 HB1 ASP 10 -2.280 8.152 -1.675 67 H ASP 11 H ASP 11 0.407 6.400 -3.072 68 HA ASP 11 HA ASP 11 0.511 3.851 -1.777 69 HB2 ASP 11 HB2 ASP 11 2.714 5.904 -2.095 70 HB3 ASP 11 HB1 ASP 11 2.935 4.240 -1.584 71 H TYR 12 H TYR 12 0.704 7.192 -0.691 72 HA TYR 12 HA TYR 12 1.399 6.350 1.984 73 HB2 TYR 12 HB2 TYR 12 0.772 9.106 0.897 74 HB3 TYR 12 HB1 TYR 12 1.397 8.764 2.507 75 HD1 TYR 12 HD1 TYR 12 2.207 9.100 -1.011 76 HD2 TYR 12 HD2 TYR 12 3.722 7.923 2.775 77 HE1 TYR 12 HE1 TYR 12 4.491 9.201 -1.909 78 HE2 TYR 12 HE2 TYR 12 6.019 8.022 1.886 79 HH TYR 12 HH TYR 12 7.098 7.826 -0.325 80 H ASP 13 H ASP 13 -1.273 6.227 0.273 81 HA ASP 13 HA ASP 13 -3.192 7.055 2.288 82 HB2 ASP 13 HB2 ASP 13 -3.741 7.421 -0.068 83 HB3 ASP 13 HB1 ASP 13 -3.466 5.729 -0.425 84 H CYS 14 H CYS 14 -1.262 4.438 1.525 85 HA CYS 14 HA CYS 14 -2.982 2.431 2.705 86 HB2 CYS 14 HB2 CYS 14 -0.213 2.245 1.513 87 HB3 CYS 14 HB1 CYS 14 -1.195 0.891 2.073 88 H CYS 15 H CYS 15 -2.475 1.348 4.573 89 HA CYS 15 HA CYS 15 -1.131 2.863 6.587 90 HB2 CYS 15 HB2 CYS 15 -2.251 0.066 6.726 91 HB3 CYS 15 HB1 CYS 15 -1.849 1.100 8.088 92 H GLY 16 H GLY 16 0.732 2.274 7.739 93 HA2 GLY 16 HA2 GLY 16 2.657 1.136 8.306 94 HA3 GLY 16 HA1 GLY 16 2.038 -0.252 7.420 95 H SER 17 H SER 17 3.718 -0.817 6.154 96 HA SER 17 HA SER 17 5.075 1.270 4.642 97 HB2 SER 17 HB2 SER 17 6.631 -0.688 4.113 98 HB3 SER 17 HB1 SER 17 6.608 -0.115 5.781 99 HG SER 17 HG SER 17 6.085 -2.012 6.311 100 H LEU 18 H LEU 18 2.345 -0.170 4.164 101 HA LEU 18 HA LEU 18 2.670 -1.625 1.741 102 HB2 LEU 18 HB2 LEU 18 0.260 -0.233 2.843 103 HB3 LEU 18 HB1 LEU 18 0.248 -1.378 1.515 104 HG LEU 18 HG LEU 18 0.945 -1.971 4.381 105 HD11 LEU 18 HD11 LEU 18 -1.167 -3.208 4.333 106 HD12 LEU 18 HD12 LEU 18 -1.469 -2.579 2.711 107 HD13 LEU 18 HD13 LEU 18 -1.381 -1.476 4.085 108 HD21 LEU 18 HD21 LEU 18 0.874 -4.323 3.682 109 HD22 LEU 18 HD22 LEU 18 2.154 -3.441 2.854 110 HD23 LEU 18 HD23 LEU 18 0.653 -3.816 2.008 111 H CYS 19 H CYS 19 2.204 -0.986 -0.328 112 HA CYS 19 HA CYS 19 2.104 1.888 -0.772 113 HB2 CYS 19 HB2 CYS 19 3.673 -0.167 -2.352 114 HB3 CYS 19 HB1 CYS 19 3.561 1.552 -2.725 115 H CYS 20 H CYS 20 1.453 2.160 -3.262 116 HA CYS 20 HA CYS 20 -1.104 0.771 -3.308 117 HB2 CYS 20 HB2 CYS 20 -1.095 3.227 -3.185 118 HB3 CYS 20 HB1 CYS 20 -0.212 3.290 -4.703 119 H VAL 21 H VAL 21 -1.282 -0.839 -4.627 120 HA VAL 21 HA VAL 21 -0.175 -0.649 -7.341 121 HB VAL 21 HB VAL 21 0.083 -3.168 -7.339 122 HG11 VAL 21 HG11 VAL 21 2.053 -1.809 -7.026 123 HG12 VAL 21 HG12 VAL 21 2.166 -3.273 -6.050 124 HG13 VAL 21 3HG1 VAL 21 1.756 -1.736 -5.290 125 HG21 VAL 21 HG21 VAL 21 -0.324 -2.916 -4.355 126 HG22 VAL 21 HG22 VAL 21 0.198 -4.375 -5.199 127 HG23 VAL 21 HG23 VAL 21 -1.412 -3.718 -5.488 128 H GLY 22 H GLY 22 -2.619 0.259 -6.484 129 HA2 GLY 22 HA2 GLY 22 -4.752 0.082 -7.568 130 HA3 GLY 22 HA1 GLY 22 -4.467 -1.658 -7.731 131 H ILE 23 H ILE 23 -3.618 -2.379 -5.476 132 HA ILE 23 HA ILE 23 -5.507 -1.533 -3.402 133 HB ILE 23 HB ILE 23 -5.401 -3.825 -2.466 134 HG12 ILE 23 HG12 ILE 23 -3.911 -4.558 -5.004 135 HG13 ILE 23 HG11 ILE 23 -3.187 -4.446 -3.406 136 HG21 ILE 23 HG21 ILE 23 -7.257 -3.270 -3.923 137 HG22 ILE 23 HG22 ILE 23 -6.805 -4.963 -4.128 138 HG23 ILE 23 HG23 ILE 23 -6.326 -3.770 -5.336 139 HD11 ILE 23 HD11 ILE 23 -5.331 -6.379 -4.249 140 HD12 ILE 23 HD12 ILE 23 -4.611 -6.278 -2.643 141 HD13 ILE 23 HD13 ILE 23 -3.623 -6.752 -4.021 142 H CYS 24 H CYS 24 -4.542 -1.885 -1.231 143 HA CYS 24 HA CYS 24 -1.807 -1.033 -1.232 144 HB2 CYS 24 HB2 CYS 24 -3.672 -1.688 1.048 145 HB3 CYS 24 HB1 CYS 24 -2.069 -0.982 1.224 146 H ALA 25 H ALA 25 -0.176 -2.326 -1.360 147 HA ALA 25 HA ALA 25 -0.199 -4.864 0.045 148 HB1 ALA 25 HB1 ALA 25 -0.937 -5.430 -2.229 149 HB2 ALA 25 HB2 ALA 25 0.686 -6.051 -1.926 150 HB3 ALA 25 HB3 ALA 25 0.466 -4.596 -2.895 151 H LYS 26 H LYS 26 2.014 -5.718 0.151 152 HA LYS 26 HA LYS 26 3.846 -3.531 0.604 153 HB2 LYS 26 HB2 LYS 26 3.459 -5.449 2.218 154 HB3 LYS 26 HB1 LYS 26 4.282 -6.484 1.063 155 HG2 LYS 26 HG2 LYS 26 6.302 -5.154 1.287 156 HG3 LYS 26 HG1 LYS 26 5.476 -4.072 2.409 157 HD2 LYS 26 HD2 LYS 26 5.070 -6.023 3.894 158 HD3 LYS 26 HD1 LYS 26 6.064 -7.000 2.813 159 HE2 LYS 26 HE2 LYS 26 6.958 -4.529 4.276 160 HE3 LYS 26 HE1 LYS 26 7.325 -6.183 4.767 161 HZ1 LYS 26 HZ1 LYS 26 8.186 -4.895 2.229 162 HZ2 LYS 26 HZ2 LYS 26 8.587 -6.461 2.708 163 HZ3 LYS 26 HZ3 LYS 26 9.135 -5.129 3.588 164 H THR 27 H THR 27 5.177 -2.903 -0.939 165 HA THR 27 HA THR 27 5.446 -4.439 -3.318 166 HB THR 27 HB THR 27 6.789 -2.320 -3.939 167 HG1 THR 27 HG1 THR 27 7.004 -0.917 -2.452 168 HG21 THR 27 HG21 THR 27 3.852 -2.164 -3.234 169 HG22 THR 27 HG22 THR 27 4.519 -2.774 -4.749 170 HG23 THR 27 HG23 THR 27 4.696 -1.070 -4.329 171 H ILE 28 H ILE 28 7.738 -4.296 -4.353 172 HA ILE 28 HA ILE 28 9.582 -5.720 -2.707 173 HB ILE 28 HB ILE 28 10.027 -4.422 -5.423 174 HG12 ILE 28 HG12 ILE 28 9.246 -7.277 -4.790 175 HG13 ILE 28 HG11 ILE 28 8.136 -6.040 -5.364 176 HG21 ILE 28 HG21 ILE 28 11.547 -6.630 -4.022 177 HG22 ILE 28 HG22 ILE 28 12.118 -4.982 -4.287 178 HG23 ILE 28 HG23 ILE 28 11.853 -6.055 -5.661 179 HD11 ILE 28 HD11 ILE 28 10.523 -7.094 -6.845 180 HD12 ILE 28 HD12 ILE 28 9.400 -5.866 -7.433 181 HD13 ILE 28 HD13 ILE 28 8.838 -7.517 -7.156 182 H ALA 29 H ALA 29 9.485 -2.535 -4.204 183 HA ALA 29 HA ALA 29 11.593 -1.611 -2.417 184 HB1 ALA 29 HB1 ALA 29 11.713 0.335 -3.911 185 HB2 ALA 29 HB2 ALA 29 10.378 -0.309 -4.864 186 HB3 ALA 29 HB3 ALA 29 11.917 -1.167 -4.810 187 HA PRO 30 HA PRO 30 8.250 0.178 -0.112 188 HB2 PRO 30 HB2 PRO 30 9.719 1.519 1.721 189 HB3 PRO 30 HB1 PRO 30 9.502 -0.235 1.773 190 HG2 PRO 30 HG2 PRO 30 11.836 1.364 0.847 191 HG3 PRO 30 HG1 PRO 30 11.807 -0.192 1.689 192 HD2 PRO 30 HD2 PRO 30 12.212 0.133 -1.023 193 HD3 PRO 30 HD1 PRO 30 11.641 -1.364 -0.266 194 H CYS 31 H CYS 31 7.081 1.970 -0.373 195 HA CYS 31 HA CYS 31 8.149 4.185 -1.858 196 HB2 CYS 31 HB2 CYS 31 5.742 4.918 -1.753 197 HB3 CYS 31 HB1 CYS 31 6.014 3.353 -2.515 198 H LYS 32 H LYS 32 7.990 3.401 1.365 199 HA LYS 32 HA LYS 32 7.841 6.211 2.149 200 HB2 LYS 32 HB2 LYS 32 7.113 3.787 3.802 201 HB3 LYS 32 HB1 LYS 32 7.067 5.454 4.353 202 HG2 LYS 32 HG2 LYS 32 5.340 5.936 2.659 203 HG3 LYS 32 HG1 LYS 32 5.358 4.234 2.195 204 HD2 LYS 32 HD2 LYS 32 4.744 3.633 4.502 205 HD3 LYS 32 HD1 LYS 32 4.658 5.348 4.901 206 HE2 LYS 32 HE2 LYS 32 2.901 5.642 3.226 207 HE3 LYS 32 HE1 LYS 32 2.970 3.918 2.848 208 HZ1 LYS 32 HZ1 LYS 32 2.188 5.144 5.431 209 HZ2 LYS 32 HZ2 LYS 32 2.454 3.517 5.220 210 HZ3 LYS 32 HZ3 LYS 32 1.177 4.263 4.399 Start of MODEL 14 1 H1 CYS 1 HT1 CYS 1 -5.793 6.101 7.140 2 H2 CYS 1 HT2 CYS 1 -6.169 4.561 7.748 3 H3 CYS 1 HT3 CYS 1 -7.230 5.318 6.696 4 HA CYS 1 HA CYS 1 -5.667 5.145 4.933 5 HB2 CYS 1 HB2 CYS 1 -3.619 3.743 5.348 6 HB3 CYS 1 HB1 CYS 1 -3.573 5.327 6.096 7 H ALA 2 H ALA 2 -5.286 3.087 3.746 8 HA ALA 2 HA ALA 2 -7.294 1.131 4.516 9 HB1 ALA 2 HB1 ALA 2 -7.434 2.101 2.300 10 HB2 ALA 2 HB2 ALA 2 -7.089 0.376 2.200 11 HB3 ALA 2 HB3 ALA 2 -5.799 1.553 1.931 12 H VAL 3 H VAL 3 -6.815 -1.061 4.572 13 HA VAL 3 HA VAL 3 -4.059 -1.616 5.361 14 HB VAL 3 HB VAL 3 -4.914 -3.687 6.314 15 HG11 VAL 3 HG11 VAL 3 -6.665 -1.340 7.032 16 HG12 VAL 3 HG12 VAL 3 -5.071 -1.691 7.696 17 HG13 VAL 3 3HG1 VAL 3 -6.422 -2.777 8.025 18 HG21 VAL 3 HG21 VAL 3 -7.341 -4.209 6.264 19 HG22 VAL 3 HG22 VAL 3 -6.585 -4.253 4.666 20 HG23 VAL 3 HG23 VAL 3 -7.563 -2.871 5.127 21 H THR 4 H THR 4 -3.612 -4.196 4.814 22 HA THR 4 HA THR 4 -2.990 -4.267 2.116 23 HB THR 4 HB THR 4 -3.318 -6.650 3.958 24 HG1 THR 4 HG1 THR 4 -0.916 -6.112 4.172 25 HG21 THR 4 HG21 THR 4 -2.865 -7.179 1.597 26 HG22 THR 4 HG22 THR 4 -1.477 -7.584 2.609 27 HG23 THR 4 HG23 THR 4 -1.458 -6.116 1.629 28 H HIS 5 H HIS 5 -4.056 -4.959 0.399 29 HA HIS 5 HA HIS 5 -5.481 -5.933 -0.988 30 HB2 HIS 5 HB2 HIS 5 -6.752 -7.247 1.420 31 HB3 HIS 5 HB1 HIS 5 -7.334 -7.486 -0.225 32 HD1 HIS 5 HD1 HIS 5 -5.395 -9.243 2.102 33 HD2 HIS 5 HD2 HIS 5 -4.846 -8.239 -1.890 34 HE1 HIS 5 HE1 HIS 5 -3.711 -10.875 1.193 35 H GLU 6 H GLU 6 -6.306 -3.610 1.164 36 HA GLU 6 HA GLU 6 -8.876 -3.122 -0.080 37 HB2 GLU 6 HB2 GLU 6 -7.204 -1.598 1.883 38 HB3 GLU 6 HB1 GLU 6 -8.628 -0.862 1.132 39 HG2 GLU 6 HG2 GLU 6 -9.887 -2.822 2.100 40 HG3 GLU 6 HG1 GLU 6 -8.417 -3.181 3.013 41 H LYS 7 H LYS 7 -9.241 -1.148 -1.351 42 HA LYS 7 HA LYS 7 -7.171 -0.860 -3.278 43 HB2 LYS 7 HB2 LYS 7 -9.769 0.623 -2.969 44 HB3 LYS 7 HB1 LYS 7 -8.643 0.886 -4.288 45 HG2 LYS 7 HG2 LYS 7 -8.907 -1.519 -4.892 46 HG3 LYS 7 HG1 LYS 7 -10.186 -1.620 -3.676 47 HD2 LYS 7 HD2 LYS 7 -11.399 0.165 -4.809 48 HD3 LYS 7 HD1 LYS 7 -10.127 0.268 -6.016 49 HE2 LYS 7 HE2 LYS 7 -10.581 -2.072 -6.653 50 HE3 LYS 7 HE1 LYS 7 -11.910 -2.096 -5.493 51 HZ1 LYS 7 HZ1 LYS 7 -12.997 -0.336 -6.743 52 HZ2 LYS 7 HZ2 LYS 7 -12.681 -1.640 -7.749 53 HZ3 LYS 7 HZ3 LYS 7 -11.717 -0.273 -7.831 54 H CYS 8 H CYS 8 -6.127 1.102 -3.869 55 HA CYS 8 HA CYS 8 -5.687 2.790 -1.521 56 HB2 CYS 8 HB2 CYS 8 -3.397 3.074 -2.420 57 HB3 CYS 8 HB1 CYS 8 -3.774 1.425 -1.936 58 H SER 9 H SER 9 -5.811 4.905 -1.766 59 HA SER 9 HA SER 9 -6.540 5.995 -4.359 60 HB2 SER 9 HB2 SER 9 -6.191 7.490 -1.768 61 HB3 SER 9 HB1 SER 9 -7.267 7.872 -3.119 62 HG SER 9 HG SER 9 -7.452 5.885 -1.158 63 H ASP 10 H ASP 10 -3.868 5.747 -2.169 64 HA ASP 10 HA ASP 10 -1.963 6.865 -3.948 65 HB2 ASP 10 HB2 ASP 10 -2.848 8.989 -2.952 66 HB3 ASP 10 HB1 ASP 10 -2.538 8.348 -1.345 67 H ASP 11 H ASP 11 0.227 6.788 -2.701 68 HA ASP 11 HA ASP 11 0.499 4.219 -1.529 69 HB2 ASP 11 HB2 ASP 11 2.470 6.519 -1.556 70 HB3 ASP 11 HB1 ASP 11 2.853 4.846 -1.170 71 H TYR 12 H TYR 12 0.339 7.491 -0.251 72 HA TYR 12 HA TYR 12 0.800 6.541 2.436 73 HB2 TYR 12 HB2 TYR 12 0.349 9.298 1.308 74 HB3 TYR 12 HB1 TYR 12 0.414 8.991 3.042 75 HD1 TYR 12 HD1 TYR 12 2.466 9.091 4.126 76 HD2 TYR 12 HD2 TYR 12 2.382 8.392 -0.058 77 HE1 TYR 12 HE1 TYR 12 4.923 9.206 4.062 78 HE2 TYR 12 HE2 TYR 12 4.828 8.510 -0.140 79 HH TYR 12 HH TYR 12 6.623 9.454 1.136 80 H ASP 13 H ASP 13 -1.684 6.335 0.514 81 HA ASP 13 HA ASP 13 -3.741 6.901 2.489 82 HB2 ASP 13 HB2 ASP 13 -4.243 7.358 0.122 83 HB3 ASP 13 HB1 ASP 13 -3.882 5.692 -0.291 84 H CYS 14 H CYS 14 -1.571 4.513 1.694 85 HA CYS 14 HA CYS 14 -3.143 2.334 2.844 86 HB2 CYS 14 HB2 CYS 14 -0.407 2.313 1.561 87 HB3 CYS 14 HB1 CYS 14 -1.340 0.906 2.067 88 H CYS 15 H CYS 15 -2.571 1.372 4.740 89 HA CYS 15 HA CYS 15 -1.175 2.899 6.680 90 HB2 CYS 15 HB2 CYS 15 -2.094 0.027 6.773 91 HB3 CYS 15 HB1 CYS 15 -1.630 1.010 8.159 92 H GLY 16 H GLY 16 0.696 2.281 7.889 93 HA2 GLY 16 HA2 GLY 16 2.821 1.579 8.195 94 HA3 GLY 16 HA1 GLY 16 2.275 0.048 7.546 95 H SER 17 H SER 17 3.974 -0.513 6.338 96 HA SER 17 HA SER 17 5.267 1.386 4.614 97 HB2 SER 17 HB2 SER 17 6.739 -0.637 4.168 98 HB3 SER 17 HB1 SER 17 6.699 -0.039 5.830 99 HG SER 17 HG SER 17 6.255 -2.052 6.243 100 H LEU 18 H LEU 18 2.451 -0.080 4.189 101 HA LEU 18 HA LEU 18 2.698 -1.545 1.773 102 HB2 LEU 18 HB2 LEU 18 0.335 -0.001 2.798 103 HB3 LEU 18 HB1 LEU 18 0.290 -1.213 1.536 104 HG LEU 18 HG LEU 18 0.869 -1.667 4.451 105 HD11 LEU 18 HD11 LEU 18 -1.295 -2.827 4.416 106 HD12 LEU 18 HD12 LEU 18 -1.501 -2.351 2.737 107 HD13 LEU 18 HD13 LEU 18 -1.439 -1.121 3.998 108 HD21 LEU 18 HD21 LEU 18 0.770 -4.062 3.896 109 HD22 LEU 18 HD22 LEU 18 2.107 -3.259 3.078 110 HD23 LEU 18 HD23 LEU 18 0.638 -3.652 2.185 111 H CYS 19 H CYS 19 2.223 -0.905 -0.323 112 HA CYS 19 HA CYS 19 2.327 1.973 -0.798 113 HB2 CYS 19 HB2 CYS 19 3.761 -0.223 -2.299 114 HB3 CYS 19 HB1 CYS 19 3.674 1.455 -2.829 115 H CYS 20 H CYS 20 1.488 2.513 -3.031 116 HA CYS 20 HA CYS 20 -0.982 1.034 -3.283 117 HB2 CYS 20 HB2 CYS 20 -1.128 3.437 -2.999 118 HB3 CYS 20 HB1 CYS 20 -0.102 3.694 -4.399 119 H VAL 21 H VAL 21 -1.108 -0.470 -4.691 120 HA VAL 21 HA VAL 21 -0.141 -0.026 -7.360 121 HB VAL 21 HB VAL 21 1.676 -1.320 -6.354 122 HG11 VAL 21 HG11 VAL 21 1.386 -3.556 -5.398 123 HG12 VAL 21 HG12 VAL 21 -0.365 -3.348 -5.500 124 HG13 VAL 21 3HG1 VAL 21 0.588 -2.290 -4.464 125 HG21 VAL 21 HG21 VAL 21 1.723 -3.325 -7.797 126 HG22 VAL 21 HG22 VAL 21 1.186 -1.886 -8.661 127 HG23 VAL 21 HG23 VAL 21 0.010 -3.092 -8.143 128 H GLY 22 H GLY 22 -2.429 0.530 -7.164 129 HA2 GLY 22 HA2 GLY 22 -4.580 0.050 -7.906 130 HA3 GLY 22 HA1 GLY 22 -4.177 -1.670 -7.922 131 H ILE 23 H ILE 23 -3.364 -2.235 -5.582 132 HA ILE 23 HA ILE 23 -5.336 -1.349 -3.625 133 HB ILE 23 HB ILE 23 -5.267 -3.633 -2.659 134 HG12 ILE 23 HG12 ILE 23 -3.749 -4.384 -5.178 135 HG13 ILE 23 HG11 ILE 23 -3.046 -4.287 -3.569 136 HG21 ILE 23 HG21 ILE 23 -6.140 -3.539 -5.540 137 HG22 ILE 23 HG22 ILE 23 -7.091 -3.050 -4.137 138 HG23 ILE 23 HG23 ILE 23 -6.647 -4.744 -4.357 139 HD11 ILE 23 HD11 ILE 23 -4.472 -6.118 -2.831 140 HD12 ILE 23 HD12 ILE 23 -3.512 -6.587 -4.235 141 HD13 ILE 23 HD13 ILE 23 -5.219 -6.186 -4.426 142 H CYS 24 H CYS 24 -4.527 -1.742 -1.417 143 HA CYS 24 HA CYS 24 -1.812 -0.885 -1.170 144 HB2 CYS 24 HB2 CYS 24 -3.869 -1.651 0.912 145 HB3 CYS 24 HB1 CYS 24 -2.298 -0.939 1.258 146 H ALA 25 H ALA 25 -0.233 -2.250 -1.349 147 HA ALA 25 HA ALA 25 -0.435 -4.858 -0.066 148 HB1 ALA 25 HB1 ALA 25 -0.978 -5.231 -2.426 149 HB2 ALA 25 HB2 ALA 25 0.591 -5.931 -2.025 150 HB3 ALA 25 HB3 ALA 25 0.506 -4.405 -2.904 151 H LYS 26 H LYS 26 1.721 -5.796 0.232 152 HA LYS 26 HA LYS 26 3.599 -3.700 0.843 153 HB2 LYS 26 HB2 LYS 26 3.130 -5.464 2.527 154 HB3 LYS 26 HB1 LYS 26 3.708 -6.678 1.398 155 HG2 LYS 26 HG2 LYS 26 5.407 -6.208 3.041 156 HG3 LYS 26 HG1 LYS 26 5.937 -5.648 1.454 157 HD2 LYS 26 HD2 LYS 26 5.228 -3.357 2.073 158 HD3 LYS 26 HD1 LYS 26 4.805 -3.951 3.677 159 HE2 LYS 26 HE2 LYS 26 7.000 -2.913 3.708 160 HE3 LYS 26 HE1 LYS 26 7.132 -4.641 4.024 161 HZ1 LYS 26 HZ1 LYS 26 8.815 -3.852 2.481 162 HZ2 LYS 26 HZ2 LYS 26 7.630 -3.368 1.376 163 HZ3 LYS 26 HZ3 LYS 26 7.826 -4.991 1.761 164 H THR 27 H THR 27 4.873 -3.091 -0.750 165 HA THR 27 HA THR 27 5.434 -4.805 -2.954 166 HB THR 27 HB THR 27 6.684 -2.753 -3.724 167 HG1 THR 27 HG1 THR 27 7.023 -1.239 -2.329 168 HG21 THR 27 HG21 THR 27 4.335 -3.143 -4.360 169 HG22 THR 27 HG22 THR 27 4.638 -1.424 -4.108 170 HG23 THR 27 HG23 THR 27 3.805 -2.365 -2.870 171 H ILE 28 H ILE 28 7.693 -5.068 -3.687 172 HA ILE 28 HA ILE 28 9.371 -6.027 -1.588 173 HB ILE 28 HB ILE 28 9.993 -5.624 -4.541 174 HG12 ILE 28 HG12 ILE 28 9.033 -8.117 -3.100 175 HG13 ILE 28 HG11 ILE 28 8.054 -7.120 -4.164 176 HG21 ILE 28 HG21 ILE 28 11.770 -7.287 -4.179 177 HG22 ILE 28 HG22 ILE 28 11.390 -7.306 -2.457 178 HG23 ILE 28 HG23 ILE 28 12.010 -5.837 -3.205 179 HD11 ILE 28 HD11 ILE 28 10.495 -8.690 -4.965 180 HD12 ILE 28 HD12 ILE 28 9.510 -7.697 -6.039 181 HD13 ILE 28 HD13 ILE 28 8.820 -9.134 -5.284 182 H ALA 29 H ALA 29 9.457 -3.394 -3.917 183 HA ALA 29 HA ALA 29 11.667 -2.148 -2.507 184 HB1 ALA 29 HB1 ALA 29 11.630 -0.515 -4.358 185 HB2 ALA 29 HB2 ALA 29 10.208 -1.321 -5.022 186 HB3 ALA 29 HB3 ALA 29 11.749 -2.172 -4.946 187 HA PRO 30 HA PRO 30 8.633 0.191 -0.101 188 HB2 PRO 30 HB2 PRO 30 11.001 1.770 0.680 189 HB3 PRO 30 HB1 PRO 30 9.875 0.877 1.705 190 HG2 PRO 30 HG2 PRO 30 12.366 -0.001 1.297 191 HG3 PRO 30 HG1 PRO 30 11.001 -1.126 1.419 192 HD2 PRO 30 HD2 PRO 30 12.443 -0.155 -1.014 193 HD3 PRO 30 HD1 PRO 30 11.853 -1.784 -0.603 194 H CYS 31 H CYS 31 7.558 2.073 -0.465 195 HA CYS 31 HA CYS 31 8.591 3.798 -2.599 196 HB2 CYS 31 HB2 CYS 31 6.221 4.458 -2.859 197 HB3 CYS 31 HB1 CYS 31 6.465 2.723 -3.060 198 H LYS 32 H LYS 32 8.140 3.701 0.732 199 HA LYS 32 HA LYS 32 7.775 6.596 0.912 200 HB2 LYS 32 HB2 LYS 32 7.381 4.466 3.026 201 HB3 LYS 32 HB1 LYS 32 7.042 6.181 3.215 202 HG2 LYS 32 HG2 LYS 32 5.287 6.050 1.551 203 HG3 LYS 32 HG1 LYS 32 5.662 4.354 1.258 204 HD2 LYS 32 HD2 LYS 32 5.062 3.862 3.614 205 HD3 LYS 32 HD1 LYS 32 4.600 5.556 3.814 206 HE2 LYS 32 HE2 LYS 32 2.936 5.318 2.045 207 HE3 LYS 32 HE1 LYS 32 3.408 3.638 1.818 208 HZ1 LYS 32 HZ1 LYS 32 1.436 3.738 3.146 209 HZ2 LYS 32 HZ2 LYS 32 2.136 4.804 4.235 210 HZ3 LYS 32 HZ3 LYS 32 2.697 3.232 4.145 Start of MODEL 15 1 H1 CYS 1 HT1 CYS 1 -6.304 4.318 7.928 2 H2 CYS 1 HT2 CYS 1 -7.331 5.053 6.824 3 H3 CYS 1 HT3 CYS 1 -5.989 5.913 7.446 4 HA CYS 1 HA CYS 1 -5.589 5.138 5.215 5 HB2 CYS 1 HB2 CYS 1 -3.521 3.814 5.680 6 HB3 CYS 1 HB1 CYS 1 -3.650 5.251 6.682 7 H ALA 2 H ALA 2 -5.368 3.374 3.763 8 HA ALA 2 HA ALA 2 -7.332 1.324 4.263 9 HB1 ALA 2 HB1 ALA 2 -7.254 2.467 2.092 10 HB2 ALA 2 HB2 ALA 2 -6.970 0.737 1.914 11 HB3 ALA 2 HB3 ALA 2 -5.617 1.866 1.837 12 H VAL 3 H VAL 3 -6.919 -0.791 4.549 13 HA VAL 3 HA VAL 3 -4.192 -1.435 5.345 14 HB VAL 3 HB VAL 3 -5.121 -3.453 6.368 15 HG11 VAL 3 HG11 VAL 3 -6.701 -0.990 7.061 16 HG12 VAL 3 HG12 VAL 3 -5.121 -1.443 7.701 17 HG13 VAL 3 3HG1 VAL 3 -6.540 -2.422 8.079 18 HG21 VAL 3 HG21 VAL 3 -6.872 -3.985 4.778 19 HG22 VAL 3 HG22 VAL 3 -7.751 -2.535 5.216 20 HG23 VAL 3 HG23 VAL 3 -7.580 -3.849 6.394 21 H THR 4 H THR 4 -3.832 -4.006 4.943 22 HA THR 4 HA THR 4 -3.096 -4.225 2.293 23 HB THR 4 HB THR 4 -3.587 -6.534 4.192 24 HG1 THR 4 HG1 THR 4 -1.067 -5.775 4.332 25 HG21 THR 4 HG21 THR 4 -1.560 -6.069 1.992 26 HG22 THR 4 HG22 THR 4 -2.972 -7.117 1.874 27 HG23 THR 4 HG23 THR 4 -1.666 -7.519 2.994 28 H HIS 5 H HIS 5 -4.105 -4.863 0.554 29 HA HIS 5 HA HIS 5 -5.484 -5.808 -0.889 30 HB2 HIS 5 HB2 HIS 5 -6.770 -7.156 1.475 31 HB3 HIS 5 HB1 HIS 5 -7.397 -7.330 -0.159 32 HD1 HIS 5 HD1 HIS 5 -5.221 -9.026 2.124 33 HD2 HIS 5 HD2 HIS 5 -5.189 -8.280 -1.963 34 HE1 HIS 5 HE1 HIS 5 -3.706 -10.749 1.109 35 H GLU 6 H GLU 6 -6.432 -3.496 1.296 36 HA GLU 6 HA GLU 6 -8.974 -3.005 0.018 37 HB2 GLU 6 HB2 GLU 6 -7.280 -1.394 1.923 38 HB3 GLU 6 HB1 GLU 6 -8.724 -0.709 1.176 39 HG2 GLU 6 HG2 GLU 6 -9.946 -2.643 2.234 40 HG3 GLU 6 HG1 GLU 6 -8.456 -2.962 3.124 41 H LYS 7 H LYS 7 -9.309 -0.935 -1.282 42 HA LYS 7 HA LYS 7 -7.292 -0.835 -3.261 43 HB2 LYS 7 HB2 LYS 7 -9.717 -0.679 -3.778 44 HB3 LYS 7 HB1 LYS 7 -9.785 0.848 -2.912 45 HG2 LYS 7 HG2 LYS 7 -8.321 1.868 -4.458 46 HG3 LYS 7 HG1 LYS 7 -8.037 0.327 -5.270 47 HD2 LYS 7 HD2 LYS 7 -10.412 0.261 -5.930 48 HD3 LYS 7 HD1 LYS 7 -10.653 1.814 -5.126 49 HE2 LYS 7 HE2 LYS 7 -10.378 2.038 -7.576 50 HE3 LYS 7 HE1 LYS 7 -9.149 2.907 -6.668 51 HZ1 LYS 7 HZ1 LYS 7 -8.774 0.238 -7.929 52 HZ2 LYS 7 HZ2 LYS 7 -7.594 1.120 -7.113 53 HZ3 LYS 7 HZ3 LYS 7 -8.217 1.703 -8.549 54 H CYS 8 H CYS 8 -6.169 1.131 -3.882 55 HA CYS 8 HA CYS 8 -5.563 2.782 -1.516 56 HB2 CYS 8 HB2 CYS 8 -3.305 2.975 -2.539 57 HB3 CYS 8 HB1 CYS 8 -3.738 1.343 -2.038 58 H SER 9 H SER 9 -5.607 4.967 -1.744 59 HA SER 9 HA SER 9 -6.367 6.114 -4.276 60 HB2 SER 9 HB2 SER 9 -5.513 7.523 -1.734 61 HB3 SER 9 HB1 SER 9 -6.505 8.183 -3.033 62 HG SER 9 HG SER 9 -7.132 6.292 -1.063 63 H ASP 10 H ASP 10 -3.560 6.222 -2.080 64 HA ASP 10 HA ASP 10 -1.775 6.369 -4.311 65 HB2 ASP 10 HB2 ASP 10 -0.643 8.351 -3.679 66 HB3 ASP 10 HB1 ASP 10 -2.329 8.795 -3.484 67 H ASP 11 H ASP 11 0.564 6.441 -3.028 68 HA ASP 11 HA ASP 11 0.620 3.924 -1.724 69 HB2 ASP 11 HB2 ASP 11 2.792 6.037 -1.819 70 HB3 ASP 11 HB1 ASP 11 3.021 4.375 -1.301 71 H TYR 12 H TYR 12 0.640 7.227 -0.496 72 HA TYR 12 HA TYR 12 1.169 6.356 2.204 73 HB2 TYR 12 HB2 TYR 12 0.784 9.051 0.941 74 HB3 TYR 12 HB1 TYR 12 0.857 8.846 2.685 75 HD1 TYR 12 HD1 TYR 12 2.773 8.668 -0.445 76 HD2 TYR 12 HD2 TYR 12 2.916 8.305 3.781 77 HE1 TYR 12 HE1 TYR 12 5.233 8.747 -0.527 78 HE2 TYR 12 HE2 TYR 12 5.359 8.384 3.719 79 HH TYR 12 HH TYR 12 7.083 9.310 0.957 80 H ASP 13 H ASP 13 -1.453 6.188 0.407 81 HA ASP 13 HA ASP 13 -3.369 7.027 2.434 82 HB2 ASP 13 HB2 ASP 13 -3.877 7.320 0.016 83 HB3 ASP 13 HB1 ASP 13 -3.778 5.583 -0.205 84 H CYS 14 H CYS 14 -1.470 4.398 1.657 85 HA CYS 14 HA CYS 14 -3.197 2.405 2.885 86 HB2 CYS 14 HB2 CYS 14 -0.484 2.134 1.598 87 HB3 CYS 14 HB1 CYS 14 -1.560 0.825 2.091 88 H CYS 15 H CYS 15 -2.595 1.287 4.732 89 HA CYS 15 HA CYS 15 -1.167 2.736 6.710 90 HB2 CYS 15 HB2 CYS 15 -2.065 -0.147 6.749 91 HB3 CYS 15 HB1 CYS 15 -1.664 0.837 8.151 92 H GLY 16 H GLY 16 0.749 2.110 7.823 93 HA2 GLY 16 HA2 GLY 16 2.868 1.309 8.113 94 HA3 GLY 16 HA1 GLY 16 2.248 -0.197 7.472 95 H SER 17 H SER 17 3.705 -0.923 6.061 96 HA SER 17 HA SER 17 5.220 0.911 4.419 97 HB2 SER 17 HB2 SER 17 6.425 -1.256 3.878 98 HB3 SER 17 HB1 SER 17 6.509 -0.710 5.553 99 HG SER 17 HG SER 17 6.025 -2.838 5.538 100 H LEU 18 H LEU 18 2.277 -0.243 4.074 101 HA LEU 18 HA LEU 18 2.384 -1.673 1.623 102 HB2 LEU 18 HB2 LEU 18 0.101 -0.103 2.768 103 HB3 LEU 18 HB1 LEU 18 -0.006 -1.359 1.551 104 HG LEU 18 HG LEU 18 0.705 -1.722 4.460 105 HD11 LEU 18 HD11 LEU 18 -1.724 -2.437 2.870 106 HD12 LEU 18 HD12 LEU 18 -1.606 -1.189 4.114 107 HD13 LEU 18 HD13 LEU 18 -1.438 -2.894 4.547 108 HD21 LEU 18 HD21 LEU 18 0.581 -4.124 4.004 109 HD22 LEU 18 HD22 LEU 18 1.871 -3.363 3.075 110 HD23 LEU 18 HD23 LEU 18 0.351 -3.789 2.289 111 H CYS 19 H CYS 19 2.080 -0.931 -0.413 112 HA CYS 19 HA CYS 19 2.058 1.958 -0.783 113 HB2 CYS 19 HB2 CYS 19 3.565 -0.134 -2.380 114 HB3 CYS 19 HB1 CYS 19 3.510 1.587 -2.747 115 H CYS 20 H CYS 20 1.452 2.283 -3.277 116 HA CYS 20 HA CYS 20 -1.127 0.941 -3.428 117 HB2 CYS 20 HB2 CYS 20 -1.124 3.375 -3.281 118 HB3 CYS 20 HB1 CYS 20 -0.136 3.472 -4.728 119 H VAL 21 H VAL 21 -1.304 -0.655 -4.753 120 HA VAL 21 HA VAL 21 -0.175 -0.497 -7.444 121 HB VAL 21 HB VAL 21 0.247 -2.996 -7.349 122 HG11 VAL 21 HG11 VAL 21 2.114 -1.460 -7.161 123 HG12 VAL 21 HG12 VAL 21 2.380 -2.862 -6.125 124 HG13 VAL 21 3HG1 VAL 21 1.860 -1.332 -5.422 125 HG21 VAL 21 HG21 VAL 21 -0.088 -2.619 -4.365 126 HG22 VAL 21 HG22 VAL 21 0.520 -4.078 -5.148 127 HG23 VAL 21 HG23 VAL 21 -1.145 -3.561 -5.417 128 H GLY 22 H GLY 22 -2.646 0.282 -6.661 129 HA2 GLY 22 HA2 GLY 22 -4.781 -0.033 -7.647 130 HA3 GLY 22 HA1 GLY 22 -4.423 -1.760 -7.801 131 H ILE 23 H ILE 23 -3.548 -2.491 -5.551 132 HA ILE 23 HA ILE 23 -5.514 -1.760 -3.498 133 HB ILE 23 HB ILE 23 -5.150 -4.003 -2.522 134 HG12 ILE 23 HG12 ILE 23 -3.569 -4.614 -5.037 135 HG13 ILE 23 HG11 ILE 23 -2.855 -4.334 -3.456 136 HG21 ILE 23 HG21 ILE 23 -6.386 -5.317 -4.192 137 HG22 ILE 23 HG22 ILE 23 -6.046 -4.079 -5.401 138 HG23 ILE 23 HG23 ILE 23 -7.045 -3.693 -4.001 139 HD11 ILE 23 HD11 ILE 23 -4.009 -6.307 -2.599 140 HD12 ILE 23 HD12 ILE 23 -2.976 -6.696 -3.974 141 HD13 ILE 23 HD13 ILE 23 -4.723 -6.569 -4.189 142 H CYS 24 H CYS 24 -4.634 -1.908 -1.321 143 HA CYS 24 HA CYS 24 -1.952 -0.913 -1.148 144 HB2 CYS 24 HB2 CYS 24 -3.966 -1.625 0.981 145 HB3 CYS 24 HB1 CYS 24 -2.407 -0.880 1.293 146 H ALA 25 H ALA 25 -0.301 -2.179 -1.206 147 HA ALA 25 HA ALA 25 -0.217 -4.594 0.373 148 HB1 ALA 25 HB1 ALA 25 0.277 -4.617 -2.611 149 HB2 ALA 25 HB2 ALA 25 -1.064 -5.408 -1.781 150 HB3 ALA 25 HB3 ALA 25 0.590 -5.958 -1.511 151 H LYS 26 H LYS 26 1.916 -5.167 0.834 152 HA LYS 26 HA LYS 26 3.795 -3.019 0.706 153 HB2 LYS 26 HB2 LYS 26 3.701 -4.544 2.647 154 HB3 LYS 26 HB1 LYS 26 4.191 -5.876 1.602 155 HG2 LYS 26 HG2 LYS 26 6.254 -4.644 1.067 156 HG3 LYS 26 HG1 LYS 26 5.781 -3.412 2.230 157 HD2 LYS 26 HD2 LYS 26 5.858 -5.039 4.015 158 HD3 LYS 26 HD1 LYS 26 6.239 -6.316 2.852 159 HE2 LYS 26 HE2 LYS 26 7.886 -3.866 3.357 160 HE3 LYS 26 HE1 LYS 26 8.252 -5.480 3.990 161 HZ1 LYS 26 HZ1 LYS 26 8.172 -4.693 1.101 162 HZ2 LYS 26 HZ2 LYS 26 8.459 -6.247 1.668 163 HZ3 LYS 26 HZ3 LYS 26 9.549 -5.025 2.006 164 H THR 27 H THR 27 5.321 -2.696 -0.726 165 HA THR 27 HA THR 27 5.583 -4.578 -2.880 166 HB THR 27 HB THR 27 6.774 -2.564 -3.875 167 HG1 THR 27 HG1 THR 27 7.145 -1.005 -2.477 168 HG21 THR 27 HG21 THR 27 4.439 -3.095 -4.404 169 HG22 THR 27 HG22 THR 27 4.644 -1.344 -4.241 170 HG23 THR 27 HG23 THR 27 3.918 -2.275 -2.937 171 H ILE 28 H ILE 28 7.826 -4.835 -3.705 172 HA ILE 28 HA ILE 28 9.615 -5.629 -1.636 173 HB ILE 28 HB ILE 28 10.135 -5.343 -4.621 174 HG12 ILE 28 HG12 ILE 28 9.320 -7.782 -3.017 175 HG13 ILE 28 HG11 ILE 28 8.258 -6.871 -4.078 176 HG21 ILE 28 HG21 ILE 28 11.645 -6.899 -2.509 177 HG22 ILE 28 HG22 ILE 28 12.207 -5.436 -3.316 178 HG23 ILE 28 HG23 ILE 28 11.985 -6.922 -4.241 179 HD11 ILE 28 HD11 ILE 28 10.709 -8.404 -4.910 180 HD12 ILE 28 HD12 ILE 28 9.651 -7.488 -5.983 181 HD13 ILE 28 HD13 ILE 28 9.032 -8.906 -5.136 182 H ALA 29 H ALA 29 9.518 -2.999 -3.984 183 HA ALA 29 HA ALA 29 11.755 -1.699 -2.681 184 HB1 ALA 29 HB1 ALA 29 11.691 -1.722 -5.124 185 HB2 ALA 29 HB2 ALA 29 11.591 -0.083 -4.487 186 HB3 ALA 29 HB3 ALA 29 10.138 -0.881 -5.098 187 HA PRO 30 HA PRO 30 8.813 0.377 -0.152 188 HB2 PRO 30 HB2 PRO 30 10.491 2.133 1.053 189 HB3 PRO 30 HB1 PRO 30 10.445 0.417 1.472 190 HG2 PRO 30 HG2 PRO 30 12.360 1.882 -0.290 191 HG3 PRO 30 HG1 PRO 30 12.686 0.612 0.901 192 HD2 PRO 30 HD2 PRO 30 12.543 0.146 -1.777 193 HD3 PRO 30 HD1 PRO 30 12.114 -1.074 -0.568 194 H CYS 31 H CYS 31 7.460 1.987 -0.552 195 HA CYS 31 HA CYS 31 8.235 4.091 -2.406 196 HB2 CYS 31 HB2 CYS 31 5.810 4.632 -2.376 197 HB3 CYS 31 HB1 CYS 31 6.111 2.951 -2.807 198 H LYS 32 H LYS 32 7.904 3.474 0.899 199 HA LYS 32 HA LYS 32 7.898 6.346 1.530 200 HB2 LYS 32 HB2 LYS 32 7.112 4.090 3.384 201 HB3 LYS 32 HB1 LYS 32 6.896 5.810 3.632 202 HG2 LYS 32 HG2 LYS 32 5.210 5.878 1.905 203 HG3 LYS 32 HG1 LYS 32 5.465 4.162 1.565 204 HD2 LYS 32 HD2 LYS 32 4.854 3.662 3.911 205 HD3 LYS 32 HD1 LYS 32 4.490 5.372 4.138 206 HE2 LYS 32 HE2 LYS 32 2.798 5.226 2.380 207 HE3 LYS 32 HE1 LYS 32 3.151 3.511 2.188 208 HZ1 LYS 32 HZ1 LYS 32 2.546 3.183 4.505 209 HZ2 LYS 32 HZ2 LYS 32 1.233 3.785 3.637 210 HZ3 LYS 32 HZ3 LYS 32 2.114 4.794 4.658 Start of MODEL 16 1 H1 CYS 1 HT1 CYS 1 -8.396 4.810 6.461 2 H2 CYS 1 HT2 CYS 1 -7.176 5.688 7.268 3 H3 CYS 1 HT3 CYS 1 -7.306 4.016 7.469 4 HA CYS 1 HA CYS 1 -6.718 5.336 4.916 5 HB2 CYS 1 HB2 CYS 1 -4.440 4.470 5.243 6 HB3 CYS 1 HB1 CYS 1 -4.872 5.583 6.535 7 H ALA 2 H ALA 2 -5.393 3.354 3.722 8 HA ALA 2 HA ALA 2 -7.317 1.180 3.819 9 HB1 ALA 2 HB1 ALA 2 -6.570 0.676 1.548 10 HB2 ALA 2 HB2 ALA 2 -5.392 1.984 1.644 11 HB3 ALA 2 HB3 ALA 2 -7.118 2.346 1.683 12 H VAL 3 H VAL 3 -6.731 -0.773 4.284 13 HA VAL 3 HA VAL 3 -3.989 -1.261 5.170 14 HB VAL 3 HB VAL 3 -4.865 -3.228 6.307 15 HG11 VAL 3 HG11 VAL 3 -6.528 -0.789 6.824 16 HG12 VAL 3 HG12 VAL 3 -4.954 -1.168 7.523 17 HG13 VAL 3 3HG1 VAL 3 -6.361 -2.154 7.925 18 HG21 VAL 3 HG21 VAL 3 -7.532 -2.490 5.107 19 HG22 VAL 3 HG22 VAL 3 -7.288 -3.746 6.325 20 HG23 VAL 3 HG23 VAL 3 -6.574 -3.914 4.718 21 H THR 4 H THR 4 -3.666 -3.913 4.889 22 HA THR 4 HA THR 4 -2.955 -4.160 2.201 23 HB THR 4 HB THR 4 -3.292 -6.449 4.169 24 HG1 THR 4 HG1 THR 4 -1.983 -5.041 5.203 25 HG21 THR 4 HG21 THR 4 -1.437 -7.430 2.875 26 HG22 THR 4 HG22 THR 4 -1.446 -6.029 1.805 27 HG23 THR 4 HG23 THR 4 -2.837 -7.113 1.849 28 H HIS 5 H HIS 5 -4.006 -4.844 0.507 29 HA HIS 5 HA HIS 5 -5.411 -5.844 -0.893 30 HB2 HIS 5 HB2 HIS 5 -6.658 -7.171 1.518 31 HB3 HIS 5 HB1 HIS 5 -7.248 -7.420 -0.121 32 HD1 HIS 5 HD1 HIS 5 -4.913 -8.807 2.274 33 HD2 HIS 5 HD2 HIS 5 -5.118 -8.486 -1.862 34 HE1 HIS 5 HE1 HIS 5 -3.313 -10.519 1.357 35 H GLU 6 H GLU 6 -6.212 -3.456 1.139 36 HA GLU 6 HA GLU 6 -8.828 -3.053 -0.057 37 HB2 GLU 6 HB2 GLU 6 -7.190 -1.361 1.833 38 HB3 GLU 6 HB1 GLU 6 -8.716 -0.814 1.138 39 HG2 GLU 6 HG2 GLU 6 -9.730 -2.844 2.226 40 HG3 GLU 6 HG1 GLU 6 -8.193 -3.036 3.073 41 H LYS 7 H LYS 7 -9.246 -1.140 -1.341 42 HA LYS 7 HA LYS 7 -7.217 -0.812 -3.317 43 HB2 LYS 7 HB2 LYS 7 -9.897 0.554 -2.988 44 HB3 LYS 7 HB1 LYS 7 -8.861 0.698 -4.403 45 HG2 LYS 7 HG2 LYS 7 -9.066 -1.704 -4.809 46 HG3 LYS 7 HG1 LYS 7 -10.079 -1.850 -3.375 47 HD2 LYS 7 HD2 LYS 7 -11.761 -0.417 -4.392 48 HD3 LYS 7 HD1 LYS 7 -10.738 -0.201 -5.812 49 HE2 LYS 7 HE2 LYS 7 -12.484 -1.875 -6.221 50 HE3 LYS 7 HE1 LYS 7 -10.877 -2.587 -6.301 51 HZ1 LYS 7 HZ1 LYS 7 -12.718 -2.771 -3.963 52 HZ2 LYS 7 HZ2 LYS 7 -11.204 -3.512 -4.087 53 HZ3 LYS 7 HZ3 LYS 7 -12.455 -3.974 -5.098 54 H CYS 8 H CYS 8 -6.136 1.106 -3.846 55 HA CYS 8 HA CYS 8 -5.862 2.885 -1.523 56 HB2 CYS 8 HB2 CYS 8 -3.499 3.159 -2.359 57 HB3 CYS 8 HB1 CYS 8 -3.904 1.573 -1.710 58 H SER 9 H SER 9 -5.983 5.016 -1.840 59 HA SER 9 HA SER 9 -6.698 5.999 -4.453 60 HB2 SER 9 HB2 SER 9 -6.148 7.585 -1.946 61 HB3 SER 9 HB1 SER 9 -7.210 8.014 -3.292 62 HG SER 9 HG SER 9 -7.558 6.148 -1.233 63 H ASP 10 H ASP 10 -3.941 5.749 -2.404 64 HA ASP 10 HA ASP 10 -2.061 6.580 -4.316 65 HB2 ASP 10 HB2 ASP 10 -2.829 8.846 -3.691 66 HB3 ASP 10 HB1 ASP 10 -2.621 8.453 -1.987 67 H ASP 11 H ASP 11 0.137 6.614 -3.113 68 HA ASP 11 HA ASP 11 0.358 4.250 -1.565 69 HB2 ASP 11 HB2 ASP 11 2.381 6.444 -2.028 70 HB3 ASP 11 HB1 ASP 11 2.732 4.903 -1.260 71 H TYR 12 H TYR 12 0.207 7.668 -0.740 72 HA TYR 12 HA TYR 12 0.871 7.176 2.006 73 HB2 TYR 12 HB2 TYR 12 -0.152 9.632 0.594 74 HB3 TYR 12 HB1 TYR 12 0.193 9.584 2.319 75 HD1 TYR 12 HD1 TYR 12 1.585 9.968 -0.977 76 HD2 TYR 12 HD2 TYR 12 2.517 9.040 3.059 77 HE1 TYR 12 HE1 TYR 12 3.958 10.456 -1.418 78 HE2 TYR 12 HE2 TYR 12 4.878 9.531 2.636 79 HH TYR 12 HH TYR 12 6.365 9.534 0.756 80 H ASP 13 H ASP 13 -1.804 6.566 0.262 81 HA ASP 13 HA ASP 13 -3.752 7.151 2.332 82 HB2 ASP 13 HB2 ASP 13 -4.402 7.414 -0.024 83 HB3 ASP 13 HB1 ASP 13 -3.992 5.742 -0.340 84 H CYS 14 H CYS 14 -1.515 4.802 1.633 85 HA CYS 14 HA CYS 14 -2.973 2.681 3.031 86 HB2 CYS 14 HB2 CYS 14 -0.254 2.504 1.739 87 HB3 CYS 14 HB1 CYS 14 -1.307 1.209 2.316 88 H CYS 15 H CYS 15 -2.283 1.995 4.967 89 HA CYS 15 HA CYS 15 -0.347 3.630 6.374 90 HB2 CYS 15 HB2 CYS 15 -2.389 1.638 7.091 91 HB3 CYS 15 HB1 CYS 15 -1.185 2.086 8.313 92 H GLY 16 H GLY 16 0.973 2.291 8.104 93 HA2 GLY 16 HA2 GLY 16 2.603 0.808 8.597 94 HA3 GLY 16 HA1 GLY 16 1.823 -0.315 7.494 95 H SER 17 H SER 17 3.289 -1.040 6.177 96 HA SER 17 HA SER 17 5.166 0.834 4.930 97 HB2 SER 17 HB2 SER 17 6.548 -1.312 4.612 98 HB3 SER 17 HB1 SER 17 6.438 -0.666 6.249 99 HG SER 17 HG SER 17 4.894 -2.818 5.175 100 H LEU 18 H LEU 18 2.424 0.106 4.217 101 HA LEU 18 HA LEU 18 2.578 -1.621 1.907 102 HB2 LEU 18 HB2 LEU 18 0.345 0.117 2.898 103 HB3 LEU 18 HB1 LEU 18 0.217 -1.147 1.690 104 HG LEU 18 HG LEU 18 0.885 -1.566 4.596 105 HD11 LEU 18 HD11 LEU 18 -1.348 -2.529 4.740 106 HD12 LEU 18 HD12 LEU 18 -1.643 -2.077 3.061 107 HD13 LEU 18 HD13 LEU 18 -1.399 -0.827 4.282 108 HD21 LEU 18 HD21 LEU 18 0.517 -3.923 4.084 109 HD22 LEU 18 HD22 LEU 18 1.883 -3.263 3.185 110 HD23 LEU 18 HD23 LEU 18 0.334 -3.525 2.377 111 H CYS 19 H CYS 19 2.277 -0.976 -0.185 112 HA CYS 19 HA CYS 19 2.412 1.892 -0.734 113 HB2 CYS 19 HB2 CYS 19 3.765 -0.368 -2.241 114 HB3 CYS 19 HB1 CYS 19 3.804 1.336 -2.692 115 H CYS 20 H CYS 20 1.602 2.289 -3.059 116 HA CYS 20 HA CYS 20 -0.933 0.866 -3.193 117 HB2 CYS 20 HB2 CYS 20 -0.981 3.313 -3.031 118 HB3 CYS 20 HB1 CYS 20 -0.040 3.435 -4.509 119 H VAL 21 H VAL 21 -1.111 -0.716 -4.535 120 HA VAL 21 HA VAL 21 -0.027 -0.482 -7.238 121 HB VAL 21 HB VAL 21 0.376 -3.017 -7.207 122 HG11 VAL 21 HG11 VAL 21 2.574 -2.868 -6.135 123 HG12 VAL 21 HG12 VAL 21 2.095 -1.350 -5.380 124 HG13 VAL 21 3HG1 VAL 21 2.240 -1.452 -7.132 125 HG21 VAL 21 HG21 VAL 21 -0.897 -3.565 -5.186 126 HG22 VAL 21 HG22 VAL 21 0.226 -2.620 -4.210 127 HG23 VAL 21 HG23 VAL 21 0.781 -4.084 -5.023 128 H GLY 22 H GLY 22 -2.483 0.282 -6.537 129 HA2 GLY 22 HA2 GLY 22 -4.616 -0.081 -7.534 130 HA3 GLY 22 HA1 GLY 22 -4.233 -1.806 -7.628 131 H ILE 23 H ILE 23 -3.371 -2.432 -5.336 132 HA ILE 23 HA ILE 23 -5.313 -1.618 -3.302 133 HB ILE 23 HB ILE 23 -5.071 -3.886 -2.310 134 HG12 ILE 23 HG12 ILE 23 -3.610 -4.577 -4.875 135 HG13 ILE 23 HG11 ILE 23 -2.857 -4.430 -3.294 136 HG21 ILE 23 HG21 ILE 23 -6.993 -3.438 -3.705 137 HG22 ILE 23 HG22 ILE 23 -6.465 -5.107 -3.927 138 HG23 ILE 23 HG23 ILE 23 -6.083 -3.892 -5.146 139 HD11 ILE 23 HD11 ILE 23 -3.206 -6.756 -3.925 140 HD12 ILE 23 HD12 ILE 23 -4.941 -6.467 -4.068 141 HD13 ILE 23 HD13 ILE 23 -4.147 -6.337 -2.497 142 H CYS 24 H CYS 24 -4.391 -1.817 -1.123 143 HA CYS 24 HA CYS 24 -1.642 -0.965 -1.100 144 HB2 CYS 24 HB2 CYS 24 -3.547 -1.472 1.197 145 HB3 CYS 24 HB1 CYS 24 -1.960 -0.722 1.333 146 H ALA 25 H ALA 25 0.017 -2.247 -0.917 147 HA ALA 25 HA ALA 25 -0.077 -4.692 0.616 148 HB1 ALA 25 HB1 ALA 25 -0.894 -5.453 -1.568 149 HB2 ALA 25 HB2 ALA 25 0.734 -6.066 -1.273 150 HB3 ALA 25 HB3 ALA 25 0.490 -4.699 -2.359 151 H LYS 26 H LYS 26 2.216 -5.621 0.659 152 HA LYS 26 HA LYS 26 4.039 -3.366 0.699 153 HB2 LYS 26 HB2 LYS 26 3.980 -4.922 2.655 154 HB3 LYS 26 HB1 LYS 26 4.518 -6.225 1.601 155 HG2 LYS 26 HG2 LYS 26 6.585 -4.970 1.134 156 HG3 LYS 26 HG1 LYS 26 6.044 -3.711 2.234 157 HD2 LYS 26 HD2 LYS 26 6.090 -5.272 4.090 158 HD3 LYS 26 HD1 LYS 26 6.556 -6.580 2.998 159 HE2 LYS 26 HE2 LYS 26 8.610 -5.357 2.428 160 HE3 LYS 26 HE1 LYS 26 8.145 -4.075 3.540 161 HZ1 LYS 26 HZ1 LYS 26 9.754 -5.626 4.483 162 HZ2 LYS 26 HZ2 LYS 26 8.648 -6.889 4.313 163 HZ3 LYS 26 HZ3 LYS 26 8.312 -5.617 5.362 164 H THR 27 H THR 27 5.583 -3.076 -0.784 165 HA THR 27 HA THR 27 5.550 -4.924 -3.010 166 HB THR 27 HB THR 27 6.606 -2.840 -4.111 167 HG1 THR 27 HG1 THR 27 6.896 -1.240 -2.739 168 HG21 THR 27 HG21 THR 27 4.304 -3.615 -4.522 169 HG22 THR 27 HG22 THR 27 4.373 -1.854 -4.437 170 HG23 THR 27 HG23 THR 27 3.767 -2.781 -3.064 171 H ILE 28 H ILE 28 7.699 -4.885 -4.281 172 HA ILE 28 HA ILE 28 9.890 -5.634 -2.620 173 HB ILE 28 HB ILE 28 9.744 -5.071 -5.607 174 HG12 ILE 28 HG12 ILE 28 9.765 -7.700 -4.100 175 HG13 ILE 28 HG11 ILE 28 8.361 -6.957 -4.856 176 HG21 ILE 28 HG21 ILE 28 11.973 -6.346 -4.031 177 HG22 ILE 28 HG22 ILE 28 12.028 -4.790 -4.860 178 HG23 ILE 28 HG23 ILE 28 11.882 -6.281 -5.792 179 HD11 ILE 28 HD11 ILE 28 9.258 -8.763 -6.215 180 HD12 ILE 28 HD12 ILE 28 10.819 -7.944 -6.288 181 HD13 ILE 28 HD13 ILE 28 9.403 -7.215 -7.047 182 H ALA 29 H ALA 29 9.128 -2.919 -4.712 183 HA ALA 29 HA ALA 29 11.406 -1.397 -3.825 184 HB1 ALA 29 HB1 ALA 29 9.070 -0.625 -5.572 185 HB2 ALA 29 HB2 ALA 29 10.633 -1.218 -6.139 186 HB3 ALA 29 HB3 ALA 29 10.525 0.337 -5.310 187 HA PRO 30 HA PRO 30 8.880 -0.014 -0.440 188 HB2 PRO 30 HB2 PRO 30 10.798 1.306 0.906 189 HB3 PRO 30 HB1 PRO 30 10.719 -0.457 0.864 190 HG2 PRO 30 HG2 PRO 30 12.521 1.390 -0.612 191 HG3 PRO 30 HG1 PRO 30 12.850 -0.223 0.036 192 HD2 PRO 30 HD2 PRO 30 12.278 0.371 -2.620 193 HD3 PRO 30 HD1 PRO 30 12.163 -1.232 -1.869 194 H CYS 31 H CYS 31 7.487 1.620 -0.613 195 HA CYS 31 HA CYS 31 8.298 4.108 -1.849 196 HB2 CYS 31 HB2 CYS 31 5.895 4.696 -1.585 197 HB3 CYS 31 HB1 CYS 31 6.120 3.173 -2.440 198 H LYS 32 H LYS 32 7.859 2.705 1.242 199 HA LYS 32 HA LYS 32 8.238 5.298 2.541 200 HB2 LYS 32 HB2 LYS 32 6.791 2.833 3.602 201 HB3 LYS 32 HB1 LYS 32 7.128 4.295 4.520 202 HG2 LYS 32 HG2 LYS 32 5.672 5.550 3.093 203 HG3 LYS 32 HG1 LYS 32 5.445 4.145 2.046 204 HD2 LYS 32 HD2 LYS 32 4.427 2.927 3.908 205 HD3 LYS 32 HD1 LYS 32 4.660 4.335 4.948 206 HE2 LYS 32 HE2 LYS 32 2.385 4.189 4.113 207 HE3 LYS 32 HE1 LYS 32 3.217 5.643 3.545 208 HZ1 LYS 32 HZ1 LYS 32 2.829 3.159 1.956 209 HZ2 LYS 32 HZ2 LYS 32 3.579 4.582 1.430 210 HZ3 LYS 32 HZ3 LYS 32 1.939 4.581 1.788 Start of MODEL 17 1 H1 CYS 1 HT1 CYS 1 -6.034 5.548 7.732 2 H2 CYS 1 HT2 CYS 1 -6.401 3.918 7.979 3 H3 CYS 1 HT3 CYS 1 -7.384 4.861 6.992 4 HA CYS 1 HA CYS 1 -5.668 5.103 5.396 5 HB2 CYS 1 HB2 CYS 1 -3.613 3.681 5.719 6 HB3 CYS 1 HB1 CYS 1 -3.728 5.045 6.823 7 H ALA 2 H ALA 2 -5.257 3.327 3.803 8 HA ALA 2 HA ALA 2 -7.293 1.284 4.092 9 HB1 ALA 2 HB1 ALA 2 -5.465 1.946 1.775 10 HB2 ALA 2 HB2 ALA 2 -7.118 2.522 1.976 11 HB3 ALA 2 HB3 ALA 2 -6.808 0.803 1.729 12 H VAL 3 H VAL 3 -6.877 -0.811 4.470 13 HA VAL 3 HA VAL 3 -4.146 -1.444 5.261 14 HB VAL 3 HB VAL 3 -5.034 -3.437 6.322 15 HG11 VAL 3 HG11 VAL 3 -6.739 -1.038 6.929 16 HG12 VAL 3 HG12 VAL 3 -5.155 -1.407 7.610 17 HG13 VAL 3 3HG1 VAL 3 -6.537 -2.441 7.979 18 HG21 VAL 3 HG21 VAL 3 -7.685 -2.672 5.105 19 HG22 VAL 3 HG22 VAL 3 -7.467 -3.950 6.308 20 HG23 VAL 3 HG23 VAL 3 -6.723 -4.091 4.711 21 H THR 4 H THR 4 -3.805 -4.039 4.898 22 HA THR 4 HA THR 4 -3.004 -4.379 2.292 23 HB THR 4 HB THR 4 -3.812 -6.634 4.120 24 HG1 THR 4 HG1 THR 4 -2.480 -5.896 5.541 25 HG21 THR 4 HG21 THR 4 -2.923 -7.215 1.912 26 HG22 THR 4 HG22 THR 4 -1.767 -7.663 3.174 27 HG23 THR 4 HG23 THR 4 -1.511 -6.206 2.210 28 H HIS 5 H HIS 5 -4.064 -4.975 0.498 29 HA HIS 5 HA HIS 5 -5.518 -5.890 -0.956 30 HB2 HIS 5 HB2 HIS 5 -6.979 -7.033 1.427 31 HB3 HIS 5 HB1 HIS 5 -7.465 -7.304 -0.238 32 HD1 HIS 5 HD1 HIS 5 -6.137 -9.255 2.168 33 HD2 HIS 5 HD2 HIS 5 -4.677 -8.149 -1.550 34 HE1 HIS 5 HE1 HIS 5 -4.470 -11.036 1.513 35 H GLU 6 H GLU 6 -6.326 -3.462 1.163 36 HA GLU 6 HA GLU 6 -8.893 -3.005 -0.084 37 HB2 GLU 6 HB2 GLU 6 -7.278 -1.392 1.889 38 HB3 GLU 6 HB1 GLU 6 -8.758 -0.766 1.154 39 HG2 GLU 6 HG2 GLU 6 -9.895 -2.778 2.135 40 HG3 GLU 6 HG1 GLU 6 -8.391 -3.094 3.006 41 H LYS 7 H LYS 7 -9.287 -0.995 -1.266 42 HA LYS 7 HA LYS 7 -7.254 -0.682 -3.263 43 HB2 LYS 7 HB2 LYS 7 -9.924 0.659 -2.908 44 HB3 LYS 7 HB1 LYS 7 -8.861 0.933 -4.281 45 HG2 LYS 7 HG2 LYS 7 -9.023 -1.401 -4.915 46 HG3 LYS 7 HG1 LYS 7 -10.029 -1.731 -3.508 47 HD2 LYS 7 HD2 LYS 7 -10.736 0.179 -5.724 48 HD3 LYS 7 HD1 LYS 7 -11.324 -1.477 -5.620 49 HE2 LYS 7 HE2 LYS 7 -11.834 0.750 -3.639 50 HE3 LYS 7 HE1 LYS 7 -12.994 0.085 -4.778 51 HZ1 LYS 7 HZ1 LYS 7 -11.772 -1.331 -2.476 52 HZ2 LYS 7 HZ2 LYS 7 -12.747 -2.075 -3.610 53 HZ3 LYS 7 HZ3 LYS 7 -13.374 -0.862 -2.631 54 H CYS 8 H CYS 8 -6.226 1.236 -3.808 55 HA CYS 8 HA CYS 8 -5.839 2.952 -1.454 56 HB2 CYS 8 HB2 CYS 8 -3.521 3.206 -2.426 57 HB3 CYS 8 HB1 CYS 8 -3.930 1.642 -1.727 58 H SER 9 H SER 9 -5.960 5.094 -1.687 59 HA SER 9 HA SER 9 -6.557 6.204 -4.288 60 HB2 SER 9 HB2 SER 9 -6.187 7.583 -1.608 61 HB3 SER 9 HB1 SER 9 -6.930 8.281 -3.048 62 HG SER 9 HG SER 9 -7.901 6.364 -1.268 63 H ASP 10 H ASP 10 -3.927 5.780 -2.108 64 HA ASP 10 HA ASP 10 -1.996 6.605 -4.000 65 HB2 ASP 10 HB2 ASP 10 -2.683 8.826 -2.943 66 HB3 ASP 10 HB1 ASP 10 -2.111 8.186 -1.405 67 H ASP 11 H ASP 11 0.214 6.343 -2.859 68 HA ASP 11 HA ASP 11 0.335 3.791 -1.605 69 HB2 ASP 11 HB2 ASP 11 2.476 5.925 -1.747 70 HB3 ASP 11 HB1 ASP 11 2.724 4.215 -1.430 71 H TYR 12 H TYR 12 0.579 7.131 -0.554 72 HA TYR 12 HA TYR 12 1.198 6.411 2.162 73 HB2 TYR 12 HB2 TYR 12 0.639 9.064 0.840 74 HB3 TYR 12 HB1 TYR 12 0.990 8.894 2.557 75 HD1 TYR 12 HD1 TYR 12 2.401 8.444 -0.838 76 HD2 TYR 12 HD2 TYR 12 3.209 8.593 3.324 77 HE1 TYR 12 HE1 TYR 12 4.812 8.531 -1.318 78 HE2 TYR 12 HE2 TYR 12 5.624 8.682 2.859 79 HH TYR 12 HH TYR 12 6.826 9.244 -0.280 80 H ASP 13 H ASP 13 -1.497 6.261 0.452 81 HA ASP 13 HA ASP 13 -3.375 7.024 2.539 82 HB2 ASP 13 HB2 ASP 13 -3.984 7.483 0.222 83 HB3 ASP 13 HB1 ASP 13 -3.690 5.811 -0.217 84 H CYS 14 H CYS 14 -1.548 4.395 1.483 85 HA CYS 14 HA CYS 14 -3.159 2.349 2.729 86 HB2 CYS 14 HB2 CYS 14 -0.388 2.244 1.531 87 HB3 CYS 14 HB1 CYS 14 -1.352 0.863 2.044 88 H CYS 15 H CYS 15 -2.581 1.262 4.577 89 HA CYS 15 HA CYS 15 -1.405 2.748 6.631 90 HB2 CYS 15 HB2 CYS 15 -1.985 -0.208 6.528 91 HB3 CYS 15 HB1 CYS 15 -1.671 0.728 7.985 92 H GLY 16 H GLY 16 0.470 2.448 7.801 93 HA2 GLY 16 HA2 GLY 16 2.654 1.983 8.248 94 HA3 GLY 16 HA1 GLY 16 2.299 0.388 7.614 95 H SER 17 H SER 17 3.700 -0.217 6.147 96 HA SER 17 HA SER 17 5.052 1.819 4.570 97 HB2 SER 17 HB2 SER 17 6.738 -0.016 4.239 98 HB3 SER 17 HB1 SER 17 6.552 0.524 5.908 99 HG SER 17 HG SER 17 5.849 -1.386 6.439 100 H LEU 18 H LEU 18 2.392 0.100 4.193 101 HA LEU 18 HA LEU 18 2.778 -1.426 1.832 102 HB2 LEU 18 HB2 LEU 18 0.288 -0.074 2.852 103 HB3 LEU 18 HB1 LEU 18 0.326 -1.273 1.577 104 HG LEU 18 HG LEU 18 1.014 -1.739 4.480 105 HD11 LEU 18 HD11 LEU 18 -1.354 -1.354 4.119 106 HD12 LEU 18 HD12 LEU 18 -1.052 -3.054 4.491 107 HD13 LEU 18 HD13 LEU 18 -1.361 -2.554 2.827 108 HD21 LEU 18 HD21 LEU 18 2.301 -3.202 3.034 109 HD22 LEU 18 HD22 LEU 18 0.841 -3.648 2.153 110 HD23 LEU 18 HD23 LEU 18 1.027 -4.118 3.842 111 H CYS 19 H CYS 19 2.188 -0.904 -0.306 112 HA CYS 19 HA CYS 19 2.171 1.953 -0.885 113 HB2 CYS 19 HB2 CYS 19 3.653 -0.245 -2.353 114 HB3 CYS 19 HB1 CYS 19 3.519 1.423 -2.906 115 H CYS 20 H CYS 20 1.450 2.215 -3.309 116 HA CYS 20 HA CYS 20 -1.109 0.837 -3.363 117 HB2 CYS 20 HB2 CYS 20 -1.122 3.279 -3.190 118 HB3 CYS 20 HB1 CYS 20 -0.218 3.391 -4.692 119 H VAL 21 H VAL 21 -1.309 -0.736 -4.710 120 HA VAL 21 HA VAL 21 -0.205 -0.508 -7.418 121 HB VAL 21 HB VAL 21 0.109 -3.018 -7.427 122 HG11 VAL 21 HG11 VAL 21 2.044 -1.591 -7.083 123 HG12 VAL 21 HG12 VAL 21 2.197 -3.079 -6.148 124 HG13 VAL 21 3HG1 VAL 21 1.739 -1.577 -5.346 125 HG21 VAL 21 HG21 VAL 21 -1.380 -3.610 -5.580 126 HG22 VAL 21 HG22 VAL 21 -0.308 -2.793 -4.443 127 HG23 VAL 21 HG23 VAL 21 0.245 -4.235 -5.295 128 H GLY 22 H GLY 22 -2.645 0.343 -6.470 129 HA2 GLY 22 HA2 GLY 22 -4.812 0.233 -7.434 130 HA3 GLY 22 HA1 GLY 22 -4.548 -1.487 -7.779 131 H ILE 23 H ILE 23 -3.585 -2.394 -5.585 132 HA ILE 23 HA ILE 23 -5.487 -1.793 -3.438 133 HB ILE 23 HB ILE 23 -5.092 -4.101 -2.603 134 HG12 ILE 23 HG12 ILE 23 -3.623 -4.547 -5.223 135 HG13 ILE 23 HG11 ILE 23 -2.859 -4.439 -3.645 136 HG21 ILE 23 HG21 ILE 23 -6.429 -5.295 -4.281 137 HG22 ILE 23 HG22 ILE 23 -6.123 -3.991 -5.429 138 HG23 ILE 23 HG23 ILE 23 -7.047 -3.672 -3.962 139 HD11 ILE 23 HD11 ILE 23 -4.813 -6.555 -4.525 140 HD12 ILE 23 HD12 ILE 23 -4.042 -6.459 -2.941 141 HD13 ILE 23 HD13 ILE 23 -3.065 -6.746 -4.381 142 H CYS 24 H CYS 24 -4.531 -1.982 -1.310 143 HA CYS 24 HA CYS 24 -1.840 -1.020 -1.254 144 HB2 CYS 24 HB2 CYS 24 -3.743 -1.722 0.976 145 HB3 CYS 24 HB1 CYS 24 -2.167 -0.971 1.199 146 H ALA 25 H ALA 25 -0.156 -2.222 -1.290 147 HA ALA 25 HA ALA 25 -0.068 -4.755 0.102 148 HB1 ALA 25 HB1 ALA 25 0.845 -5.914 -1.872 149 HB2 ALA 25 HB2 ALA 25 0.531 -4.481 -2.851 150 HB3 ALA 25 HB3 ALA 25 -0.813 -5.380 -2.148 151 H LYS 26 H LYS 26 2.211 -5.497 0.164 152 HA LYS 26 HA LYS 26 3.921 -3.168 0.406 153 HB2 LYS 26 HB2 LYS 26 3.678 -4.722 2.336 154 HB3 LYS 26 HB1 LYS 26 4.365 -6.005 1.359 155 HG2 LYS 26 HG2 LYS 26 6.004 -5.074 2.897 156 HG3 LYS 26 HG1 LYS 26 6.473 -4.794 1.219 157 HD2 LYS 26 HD2 LYS 26 5.655 -2.500 1.365 158 HD3 LYS 26 HD1 LYS 26 5.121 -2.782 3.022 159 HE2 LYS 26 HE2 LYS 26 7.965 -2.974 2.053 160 HE3 LYS 26 HE1 LYS 26 7.278 -1.572 2.861 161 HZ1 LYS 26 HZ1 LYS 26 6.875 -2.930 4.816 162 HZ2 LYS 26 HZ2 LYS 26 8.503 -2.972 4.408 163 HZ3 LYS 26 HZ3 LYS 26 7.522 -4.293 4.067 164 H THR 27 H THR 27 5.220 -2.682 -1.232 165 HA THR 27 HA THR 27 5.745 -4.508 -3.342 166 HB THR 27 HB THR 27 7.134 -2.504 -4.115 167 HG1 THR 27 HG1 THR 27 7.415 -1.009 -2.671 168 HG21 THR 27 HG21 THR 27 4.197 -2.115 -3.498 169 HG22 THR 27 HG22 THR 27 4.855 -2.918 -4.924 170 HG23 THR 27 HG23 THR 27 5.124 -1.192 -4.678 171 H ILE 28 H ILE 28 7.984 -4.950 -4.068 172 HA ILE 28 HA ILE 28 9.641 -6.039 -2.092 173 HB ILE 28 HB ILE 28 10.518 -5.104 -4.851 174 HG12 ILE 28 HG12 ILE 28 9.460 -7.817 -4.005 175 HG13 ILE 28 HG11 ILE 28 8.566 -6.636 -4.956 176 HG21 ILE 28 HG21 ILE 28 12.255 -6.847 -4.626 177 HG22 ILE 28 HG22 ILE 28 11.699 -7.170 -2.984 178 HG23 ILE 28 HG23 ILE 28 12.397 -5.601 -3.386 179 HD11 ILE 28 HD11 ILE 28 10.201 -6.842 -6.755 180 HD12 ILE 28 HD12 ILE 28 9.501 -8.410 -6.352 181 HD13 ILE 28 HD13 ILE 28 11.120 -7.996 -5.793 182 H ALA 29 H ALA 29 10.064 -3.084 -3.981 183 HA ALA 29 HA ALA 29 11.866 -2.079 -1.926 184 HB1 ALA 29 HB1 ALA 29 12.402 -0.309 -3.544 185 HB2 ALA 29 HB2 ALA 29 11.216 -0.973 -4.664 186 HB3 ALA 29 HB3 ALA 29 12.655 -1.906 -4.249 187 HA PRO 30 HA PRO 30 8.191 -0.076 -0.267 188 HB2 PRO 30 HB2 PRO 30 10.274 1.390 1.256 189 HB3 PRO 30 HB1 PRO 30 8.846 0.520 1.832 190 HG2 PRO 30 HG2 PRO 30 11.280 -0.514 2.134 191 HG3 PRO 30 HG1 PRO 30 9.882 -1.531 1.740 192 HD2 PRO 30 HD2 PRO 30 12.089 -0.581 -0.032 193 HD3 PRO 30 HD1 PRO 30 11.245 -2.141 -0.000 194 H CYS 31 H CYS 31 7.203 1.855 -0.643 195 HA CYS 31 HA CYS 31 8.589 3.784 -2.325 196 HB2 CYS 31 HB2 CYS 31 6.288 4.615 -2.703 197 HB3 CYS 31 HB1 CYS 31 6.453 2.898 -3.079 198 H LYS 32 H LYS 32 8.277 3.312 0.857 199 HA LYS 32 HA LYS 32 7.853 6.128 1.479 200 HB2 LYS 32 HB2 LYS 32 7.087 3.664 3.024 201 HB3 LYS 32 HB1 LYS 32 7.067 5.285 3.713 202 HG2 LYS 32 HG2 LYS 32 5.355 5.980 2.261 203 HG3 LYS 32 HG1 LYS 32 5.550 4.557 1.237 204 HD2 LYS 32 HD2 LYS 32 4.712 3.134 2.952 205 HD3 LYS 32 HD1 LYS 32 4.680 4.468 4.113 206 HE2 LYS 32 HE2 LYS 32 2.978 5.574 2.871 207 HE3 LYS 32 HE1 LYS 32 3.104 4.407 1.557 208 HZ1 LYS 32 HZ1 LYS 32 2.355 3.606 4.302 209 HZ2 LYS 32 HZ2 LYS 32 2.150 2.754 2.825 210 HZ3 LYS 32 HZ3 LYS 32 1.218 4.109 3.166 Start of MODEL 18 1 H1 CYS 1 HT1 CYS 1 -6.206 4.704 7.787 2 H2 CYS 1 HT2 CYS 1 -7.132 5.458 6.591 3 H3 CYS 1 HT3 CYS 1 -5.701 6.190 7.157 4 HA CYS 1 HA CYS 1 -5.391 5.182 5.016 5 HB2 CYS 1 HB2 CYS 1 -3.412 3.834 5.634 6 HB3 CYS 1 HB1 CYS 1 -3.488 5.332 6.547 7 H ALA 2 H ALA 2 -5.216 3.234 3.795 8 HA ALA 2 HA ALA 2 -7.239 1.269 4.504 9 HB1 ALA 2 HB1 ALA 2 -7.328 2.334 2.297 10 HB2 ALA 2 HB2 ALA 2 -7.062 0.596 2.163 11 HB3 ALA 2 HB3 ALA 2 -5.716 1.715 1.935 12 H VAL 3 H VAL 3 -6.801 -0.945 4.541 13 HA VAL 3 HA VAL 3 -4.056 -1.601 5.295 14 HB VAL 3 HB VAL 3 -4.981 -3.738 6.107 15 HG11 VAL 3 HG11 VAL 3 -6.556 -1.363 7.060 16 HG12 VAL 3 HG12 VAL 3 -4.953 -1.832 7.616 17 HG13 VAL 3 3HG1 VAL 3 -6.338 -2.878 7.936 18 HG21 VAL 3 HG21 VAL 3 -7.620 -2.670 5.112 19 HG22 VAL 3 HG22 VAL 3 -7.432 -4.110 6.112 20 HG23 VAL 3 HG23 VAL 3 -6.755 -4.064 4.479 21 H THR 4 H THR 4 -3.584 -4.076 4.680 22 HA THR 4 HA THR 4 -3.034 -4.177 1.958 23 HB THR 4 HB THR 4 -3.272 -6.508 3.900 24 HG1 THR 4 HG1 THR 4 -1.719 -5.339 4.789 25 HG21 THR 4 HG21 THR 4 -1.661 -7.632 2.407 26 HG22 THR 4 HG22 THR 4 -1.706 -6.239 1.323 27 HG23 THR 4 HG23 THR 4 -3.150 -7.225 1.549 28 H HIS 5 H HIS 5 -4.108 -4.939 0.265 29 HA HIS 5 HA HIS 5 -5.562 -6.001 -1.068 30 HB2 HIS 5 HB2 HIS 5 -6.983 -7.025 1.405 31 HB3 HIS 5 HB1 HIS 5 -7.474 -7.412 -0.240 32 HD1 HIS 5 HD1 HIS 5 -5.985 -9.160 2.296 33 HD2 HIS 5 HD2 HIS 5 -4.725 -8.272 -1.558 34 HE1 HIS 5 HE1 HIS 5 -4.227 -10.871 1.721 35 H GLU 6 H GLU 6 -6.451 -3.638 1.139 36 HA GLU 6 HA GLU 6 -8.952 -3.024 -0.122 37 HB2 GLU 6 HB2 GLU 6 -7.145 -1.532 1.743 38 HB3 GLU 6 HB1 GLU 6 -8.502 -0.723 0.964 39 HG2 GLU 6 HG2 GLU 6 -9.925 -2.520 2.042 40 HG3 GLU 6 HG1 GLU 6 -8.482 -2.945 2.967 41 H LYS 7 H LYS 7 -9.338 -1.426 -1.676 42 HA LYS 7 HA LYS 7 -7.387 -0.950 -3.628 43 HB2 LYS 7 HB2 LYS 7 -9.976 -0.910 -3.718 44 HB3 LYS 7 HB1 LYS 7 -9.856 0.713 -3.076 45 HG2 LYS 7 HG2 LYS 7 -8.635 -0.192 -5.661 46 HG3 LYS 7 HG1 LYS 7 -10.241 0.510 -5.524 47 HD2 LYS 7 HD2 LYS 7 -9.178 2.558 -4.572 48 HD3 LYS 7 HD1 LYS 7 -7.602 1.834 -4.894 49 HE2 LYS 7 HE2 LYS 7 -8.119 3.312 -6.706 50 HE3 LYS 7 HE1 LYS 7 -8.251 1.657 -7.288 51 HZ1 LYS 7 HZ1 LYS 7 -10.096 2.946 -8.072 52 HZ2 LYS 7 HZ2 LYS 7 -10.491 3.446 -6.529 53 HZ3 LYS 7 HZ3 LYS 7 -10.697 1.822 -6.969 54 H CYS 8 H CYS 8 -6.155 1.009 -3.990 55 HA CYS 8 HA CYS 8 -5.874 2.642 -1.562 56 HB2 CYS 8 HB2 CYS 8 -3.515 2.922 -2.305 57 HB3 CYS 8 HB1 CYS 8 -3.947 1.273 -1.871 58 H SER 9 H SER 9 -5.932 4.830 -1.750 59 HA SER 9 HA SER 9 -6.437 5.908 -4.398 60 HB2 SER 9 HB2 SER 9 -6.502 7.241 -1.679 61 HB3 SER 9 HB1 SER 9 -7.055 7.959 -3.193 62 HG SER 9 HG SER 9 -8.075 5.514 -2.212 63 H ASP 10 H ASP 10 -3.863 5.476 -2.210 64 HA ASP 10 HA ASP 10 -1.901 6.596 -3.873 65 HB2 ASP 10 HB2 ASP 10 -2.920 8.732 -2.849 66 HB3 ASP 10 HB1 ASP 10 -2.368 8.141 -1.289 67 H ASP 11 H ASP 11 0.236 6.509 -2.546 68 HA ASP 11 HA ASP 11 0.389 4.005 -1.156 69 HB2 ASP 11 HB2 ASP 11 2.452 6.223 -1.232 70 HB3 ASP 11 HB1 ASP 11 2.733 4.548 -0.790 71 H TYR 12 H TYR 12 0.302 7.403 -0.346 72 HA TYR 12 HA TYR 12 0.833 6.951 2.435 73 HB2 TYR 12 HB2 TYR 12 -0.101 9.428 0.981 74 HB3 TYR 12 HB1 TYR 12 0.334 9.374 2.686 75 HD1 TYR 12 HD1 TYR 12 1.542 9.758 -0.651 76 HD2 TYR 12 HD2 TYR 12 2.718 8.672 3.279 77 HE1 TYR 12 HE1 TYR 12 3.888 10.157 -1.258 78 HE2 TYR 12 HE2 TYR 12 5.063 9.066 2.692 79 HH TYR 12 HH TYR 12 5.975 10.685 -0.173 80 H ASP 13 H ASP 13 -1.801 6.523 0.516 81 HA ASP 13 HA ASP 13 -3.788 7.023 2.568 82 HB2 ASP 13 HB2 ASP 13 -4.457 7.492 0.281 83 HB3 ASP 13 HB1 ASP 13 -3.942 5.903 -0.249 84 H CYS 14 H CYS 14 -1.609 4.633 1.680 85 HA CYS 14 HA CYS 14 -3.154 2.453 2.849 86 HB2 CYS 14 HB2 CYS 14 -0.419 2.454 1.553 87 HB3 CYS 14 HB1 CYS 14 -1.310 1.033 2.096 88 H CYS 15 H CYS 15 -2.540 1.421 4.714 89 HA CYS 15 HA CYS 15 -1.268 2.973 6.709 90 HB2 CYS 15 HB2 CYS 15 -2.028 0.053 6.727 91 HB3 CYS 15 HB1 CYS 15 -1.617 1.016 8.137 92 H GLY 16 H GLY 16 0.637 2.642 7.799 93 HA2 GLY 16 HA2 GLY 16 2.779 2.079 8.200 94 HA3 GLY 16 HA1 GLY 16 2.322 0.468 7.700 95 H SER 17 H SER 17 3.723 -0.283 6.318 96 HA SER 17 HA SER 17 5.261 1.542 4.693 97 HB2 SER 17 HB2 SER 17 6.561 -0.638 4.322 98 HB3 SER 17 HB1 SER 17 6.598 0.090 5.931 99 HG SER 17 HG SER 17 6.168 -2.022 6.213 100 H LEU 18 H LEU 18 2.411 0.073 4.283 101 HA LEU 18 HA LEU 18 2.669 -1.393 1.877 102 HB2 LEU 18 HB2 LEU 18 0.297 0.101 2.948 103 HB3 LEU 18 HB1 LEU 18 0.246 -1.082 1.656 104 HG LEU 18 HG LEU 18 0.935 -1.613 4.539 105 HD11 LEU 18 HD11 LEU 18 -1.186 -2.820 4.559 106 HD12 LEU 18 HD12 LEU 18 -1.482 -2.308 2.899 107 HD13 LEU 18 HD13 LEU 18 -1.409 -1.108 4.191 108 HD21 LEU 18 HD21 LEU 18 2.153 -3.118 3.076 109 HD22 LEU 18 HD22 LEU 18 0.669 -3.488 2.197 110 HD23 LEU 18 HD23 LEU 18 0.838 -3.974 3.883 111 H CYS 19 H CYS 19 2.202 -0.820 -0.216 112 HA CYS 19 HA CYS 19 2.252 2.045 -0.784 113 HB2 CYS 19 HB2 CYS 19 3.659 -0.180 -2.291 114 HB3 CYS 19 HB1 CYS 19 3.623 1.516 -2.766 115 H CYS 20 H CYS 20 1.401 2.459 -3.012 116 HA CYS 20 HA CYS 20 -1.120 1.041 -3.211 117 HB2 CYS 20 HB2 CYS 20 -0.947 3.546 -3.174 118 HB3 CYS 20 HB1 CYS 20 -0.106 3.459 -4.713 119 H VAL 21 H VAL 21 -1.257 -0.623 -4.514 120 HA VAL 21 HA VAL 21 0.301 -0.719 -7.031 121 HB VAL 21 HB VAL 21 -0.404 -3.174 -5.402 122 HG11 VAL 21 HG11 VAL 21 0.284 -3.600 -7.651 123 HG12 VAL 21 HG12 VAL 21 1.525 -4.187 -6.540 124 HG13 VAL 21 3HG1 VAL 21 1.767 -2.675 -7.413 125 HG21 VAL 21 HG21 VAL 21 0.879 -1.815 -3.846 126 HG22 VAL 21 HG22 VAL 21 2.153 -1.612 -5.048 127 HG23 VAL 21 HG23 VAL 21 1.828 -3.207 -4.370 128 H GLY 22 H GLY 22 -2.305 0.278 -6.575 129 HA2 GLY 22 HA2 GLY 22 -4.342 0.023 -7.742 130 HA3 GLY 22 HA1 GLY 22 -4.041 -1.721 -7.858 131 H ILE 23 H ILE 23 -3.337 -2.357 -5.491 132 HA ILE 23 HA ILE 23 -5.380 -1.508 -3.583 133 HB ILE 23 HB ILE 23 -5.254 -3.803 -2.604 134 HG12 ILE 23 HG12 ILE 23 -3.690 -4.502 -5.107 135 HG13 ILE 23 HG11 ILE 23 -3.018 -4.410 -3.486 136 HG21 ILE 23 HG21 ILE 23 -7.095 -3.284 -4.078 137 HG22 ILE 23 HG22 ILE 23 -6.598 -4.961 -4.309 138 HG23 ILE 23 HG23 ILE 23 -6.132 -3.733 -5.485 139 HD11 ILE 23 HD11 ILE 23 -4.417 -6.287 -2.799 140 HD12 ILE 23 HD12 ILE 23 -3.414 -6.713 -4.186 141 HD13 ILE 23 HD13 ILE 23 -5.125 -6.354 -4.413 142 H CYS 24 H CYS 24 -4.564 -1.664 -1.368 143 HA CYS 24 HA CYS 24 -1.845 -0.840 -1.160 144 HB2 CYS 24 HB2 CYS 24 -3.843 -1.599 0.982 145 HB3 CYS 24 HB1 CYS 24 -2.268 -0.881 1.287 146 H ALA 25 H ALA 25 -0.206 -2.135 -1.203 147 HA ALA 25 HA ALA 25 -0.325 -4.705 0.113 148 HB1 ALA 25 HB1 ALA 25 0.553 -5.885 -1.855 149 HB2 ALA 25 HB2 ALA 25 0.389 -4.411 -2.810 150 HB3 ALA 25 HB3 ALA 25 -1.047 -5.212 -2.173 151 H LYS 26 H LYS 26 1.861 -5.662 0.095 152 HA LYS 26 HA LYS 26 3.795 -3.561 0.564 153 HB2 LYS 26 HB2 LYS 26 3.433 -5.272 2.298 154 HB3 LYS 26 HB1 LYS 26 3.874 -6.524 1.151 155 HG2 LYS 26 HG2 LYS 26 6.146 -5.765 1.097 156 HG3 LYS 26 HG1 LYS 26 5.735 -4.339 2.049 157 HD2 LYS 26 HD2 LYS 26 6.820 -6.038 3.441 158 HD3 LYS 26 HD1 LYS 26 5.162 -5.752 3.953 159 HE2 LYS 26 HE2 LYS 26 5.630 -8.125 4.003 160 HE3 LYS 26 HE1 LYS 26 4.466 -7.783 2.732 161 HZ1 LYS 26 HZ1 LYS 26 6.246 -7.937 1.107 162 HZ2 LYS 26 HZ2 LYS 26 6.135 -9.338 2.026 163 HZ3 LYS 26 HZ3 LYS 26 7.367 -8.227 2.343 164 H THR 27 H THR 27 5.294 -3.083 -0.879 165 HA THR 27 HA THR 27 5.600 -4.722 -3.230 166 HB THR 27 HB THR 27 6.968 -2.660 -3.926 167 HG1 THR 27 HG1 THR 27 7.121 -1.112 -2.551 168 HG21 THR 27 HG21 THR 27 4.024 -2.353 -3.316 169 HG22 THR 27 HG22 THR 27 4.703 -3.108 -4.759 170 HG23 THR 27 HG23 THR 27 4.941 -1.384 -4.469 171 H ILE 28 H ILE 28 7.800 -5.059 -4.074 172 HA ILE 28 HA ILE 28 9.568 -6.056 -2.059 173 HB ILE 28 HB ILE 28 10.232 -5.640 -5.003 174 HG12 ILE 28 HG12 ILE 28 8.945 -8.064 -3.737 175 HG13 ILE 28 HG11 ILE 28 8.075 -6.893 -4.721 176 HG21 ILE 28 HG21 ILE 28 12.097 -6.226 -3.503 177 HG22 ILE 28 HG22 ILE 28 11.749 -7.528 -4.639 178 HG23 ILE 28 HG23 ILE 28 11.211 -7.652 -2.965 179 HD11 ILE 28 HD11 ILE 28 9.490 -7.491 -6.635 180 HD12 ILE 28 HD12 ILE 28 8.619 -8.885 -5.996 181 HD13 ILE 28 HD13 ILE 28 10.332 -8.670 -5.631 182 H ALA 29 H ALA 29 9.335 -3.256 -4.102 183 HA ALA 29 HA ALA 29 11.685 -2.058 -2.837 184 HB1 ALA 29 HB1 ALA 29 10.115 -1.191 -5.274 185 HB2 ALA 29 HB2 ALA 29 11.676 -2.012 -5.285 186 HB3 ALA 29 HB3 ALA 29 11.544 -0.377 -4.635 187 HA PRO 30 HA PRO 30 8.564 -0.022 -0.241 188 HB2 PRO 30 HB2 PRO 30 10.959 1.473 0.675 189 HB3 PRO 30 HB1 PRO 30 9.780 0.563 1.624 190 HG2 PRO 30 HG2 PRO 30 12.219 -0.408 1.236 191 HG3 PRO 30 HG1 PRO 30 10.802 -1.472 1.189 192 HD2 PRO 30 HD2 PRO 30 12.382 -0.333 -1.090 193 HD3 PRO 30 HD1 PRO 30 11.744 -1.976 -0.856 194 H CYS 31 H CYS 31 7.543 1.948 -0.323 195 HA CYS 31 HA CYS 31 8.576 3.857 -2.296 196 HB2 CYS 31 HB2 CYS 31 6.213 4.614 -2.430 197 HB3 CYS 31 HB1 CYS 31 6.413 2.917 -2.861 198 H LYS 32 H LYS 32 8.137 3.379 1.010 199 HA LYS 32 HA LYS 32 8.118 6.270 1.524 200 HB2 LYS 32 HB2 LYS 32 7.160 4.037 3.324 201 HB3 LYS 32 HB1 LYS 32 7.098 5.750 3.686 202 HG2 LYS 32 HG2 LYS 32 5.480 6.091 1.931 203 HG3 LYS 32 HG1 LYS 32 5.610 4.396 1.454 204 HD2 LYS 32 HD2 LYS 32 4.844 3.759 3.729 205 HD3 LYS 32 HD1 LYS 32 4.587 5.470 4.075 206 HE2 LYS 32 HE2 LYS 32 2.994 5.611 2.249 207 HE3 LYS 32 HE1 LYS 32 3.275 3.916 1.859 208 HZ1 LYS 32 HZ1 LYS 32 2.075 4.971 4.359 209 HZ2 LYS 32 HZ2 LYS 32 2.477 3.378 4.118 210 HZ3 LYS 32 HZ3 LYS 32 1.285 4.092 3.150 Start of MODEL 19 1 H1 CYS 1 HT1 CYS 1 -6.084 6.024 7.390 2 H2 CYS 1 HT2 CYS 1 -6.104 4.387 7.826 3 H3 CYS 1 HT3 CYS 1 -7.401 5.039 6.982 4 HA CYS 1 HA CYS 1 -6.079 5.341 5.083 5 HB2 CYS 1 HB2 CYS 1 -3.747 4.283 5.139 6 HB3 CYS 1 HB1 CYS 1 -3.927 5.830 5.947 7 H ALA 2 H ALA 2 -5.300 3.416 3.690 8 HA ALA 2 HA ALA 2 -7.193 1.315 4.221 9 HB1 ALA 2 HB1 ALA 2 -7.080 2.371 2.019 10 HB2 ALA 2 HB2 ALA 2 -6.729 0.648 1.928 11 HB3 ALA 2 HB3 ALA 2 -5.416 1.820 1.843 12 H VAL 3 H VAL 3 -6.735 -0.714 4.646 13 HA VAL 3 HA VAL 3 -4.014 -1.341 5.478 14 HB VAL 3 HB VAL 3 -4.967 -3.337 6.517 15 HG11 VAL 3 HG11 VAL 3 -6.587 -0.877 7.116 16 HG12 VAL 3 HG12 VAL 3 -5.030 -1.315 7.820 17 HG13 VAL 3 3HG1 VAL 3 -6.458 -2.293 8.159 18 HG21 VAL 3 HG21 VAL 3 -7.576 -2.472 5.270 19 HG22 VAL 3 HG22 VAL 3 -7.419 -3.765 6.466 20 HG23 VAL 3 HG23 VAL 3 -6.658 -3.920 4.878 21 H THR 4 H THR 4 -3.705 -3.961 5.056 22 HA THR 4 HA THR 4 -3.046 -4.130 2.353 23 HB THR 4 HB THR 4 -3.438 -6.462 4.272 24 HG1 THR 4 HG1 THR 4 -1.964 -5.175 5.267 25 HG21 THR 4 HG21 THR 4 -1.683 -6.134 1.824 26 HG22 THR 4 HG22 THR 4 -3.137 -7.128 1.922 27 HG23 THR 4 HG23 THR 4 -1.713 -7.548 2.875 28 H HIS 5 H HIS 5 -4.093 -4.825 0.638 29 HA HIS 5 HA HIS 5 -5.515 -5.846 -0.753 30 HB2 HIS 5 HB2 HIS 5 -7.057 -6.869 1.644 31 HB3 HIS 5 HB1 HIS 5 -7.416 -7.287 -0.026 32 HD1 HIS 5 HD1 HIS 5 -5.971 -8.806 2.753 33 HD2 HIS 5 HD2 HIS 5 -4.708 -8.304 -1.173 34 HE1 HIS 5 HE1 HIS 5 -4.226 -10.567 2.353 35 H GLU 6 H GLU 6 -6.416 -3.407 1.367 36 HA GLU 6 HA GLU 6 -8.949 -2.887 0.083 37 HB2 GLU 6 HB2 GLU 6 -7.232 -1.309 1.986 38 HB3 GLU 6 HB1 GLU 6 -8.690 -0.614 1.262 39 HG2 GLU 6 HG2 GLU 6 -9.899 -2.537 2.356 40 HG3 GLU 6 HG1 GLU 6 -8.381 -2.885 3.191 41 H LYS 7 H LYS 7 -9.327 -1.193 -1.399 42 HA LYS 7 HA LYS 7 -7.380 -0.789 -3.371 43 HB2 LYS 7 HB2 LYS 7 -8.881 0.927 -4.301 44 HB3 LYS 7 HB1 LYS 7 -9.750 -0.539 -3.888 45 HG2 LYS 7 HG2 LYS 7 -10.564 0.532 -1.832 46 HG3 LYS 7 HG1 LYS 7 -9.671 1.992 -2.247 47 HD2 LYS 7 HD2 LYS 7 -11.986 2.289 -2.850 48 HD3 LYS 7 HD1 LYS 7 -11.020 2.176 -4.318 49 HE2 LYS 7 HE2 LYS 7 -13.071 0.907 -4.545 50 HE3 LYS 7 HE1 LYS 7 -11.687 -0.180 -4.565 51 HZ1 LYS 7 HZ1 LYS 7 -13.525 -1.008 -3.193 52 HZ2 LYS 7 HZ2 LYS 7 -13.416 0.336 -2.203 53 HZ3 LYS 7 HZ3 LYS 7 -12.143 -0.766 -2.276 54 H CYS 8 H CYS 8 -6.148 1.053 -3.933 55 HA CYS 8 HA CYS 8 -5.616 2.785 -1.620 56 HB2 CYS 8 HB2 CYS 8 -3.304 2.916 -2.516 57 HB3 CYS 8 HB1 CYS 8 -3.774 1.300 -1.999 58 H SER 9 H SER 9 -5.671 4.931 -1.941 59 HA SER 9 HA SER 9 -6.294 5.914 -4.617 60 HB2 SER 9 HB2 SER 9 -6.037 7.518 -2.076 61 HB3 SER 9 HB1 SER 9 -7.013 7.881 -3.504 62 HG SER 9 HG SER 9 -7.386 5.970 -1.498 63 H ASP 10 H ASP 10 -3.718 5.583 -2.395 64 HA ASP 10 HA ASP 10 -1.766 6.740 -4.094 65 HB2 ASP 10 HB2 ASP 10 -2.765 8.773 -2.919 66 HB3 ASP 10 HB1 ASP 10 -2.270 8.037 -1.400 67 H ASP 11 H ASP 11 0.341 6.415 -2.960 68 HA ASP 11 HA ASP 11 0.491 3.874 -1.662 69 HB2 ASP 11 HB2 ASP 11 2.645 6.004 -1.826 70 HB3 ASP 11 HB1 ASP 11 2.893 4.325 -1.385 71 H TYR 12 H TYR 12 0.588 7.211 -0.563 72 HA TYR 12 HA TYR 12 1.163 6.401 2.162 73 HB2 TYR 12 HB2 TYR 12 0.585 9.154 1.043 74 HB3 TYR 12 HB1 TYR 12 1.154 8.813 2.673 75 HD1 TYR 12 HD1 TYR 12 3.451 7.746 2.941 76 HD2 TYR 12 HD2 TYR 12 2.097 9.381 -0.740 77 HE1 TYR 12 HE1 TYR 12 5.772 7.836 2.129 78 HE2 TYR 12 HE2 TYR 12 4.411 9.473 -1.559 79 HH TYR 12 HH TYR 12 6.928 7.838 -0.040 80 H ASP 13 H ASP 13 -1.450 6.308 0.329 81 HA ASP 13 HA ASP 13 -3.447 7.105 2.293 82 HB2 ASP 13 HB2 ASP 13 -3.896 7.463 -0.109 83 HB3 ASP 13 HB1 ASP 13 -3.663 5.756 -0.423 84 H CYS 14 H CYS 14 -1.463 4.545 1.569 85 HA CYS 14 HA CYS 14 -3.127 2.486 2.768 86 HB2 CYS 14 HB2 CYS 14 -0.347 2.373 1.588 87 HB3 CYS 14 HB1 CYS 14 -1.321 0.997 2.107 88 H CYS 15 H CYS 15 -2.540 1.488 4.676 89 HA CYS 15 HA CYS 15 -1.024 3.043 6.557 90 HB2 CYS 15 HB2 CYS 15 -2.293 0.314 6.807 91 HB3 CYS 15 HB1 CYS 15 -1.696 1.295 8.146 92 H GLY 16 H GLY 16 0.599 1.795 8.012 93 HA2 GLY 16 HA2 GLY 16 2.574 0.696 8.297 94 HA3 GLY 16 HA1 GLY 16 1.894 -0.533 7.250 95 H SER 17 H SER 17 3.720 -1.030 6.120 96 HA SER 17 HA SER 17 5.082 1.096 4.690 97 HB2 SER 17 HB2 SER 17 6.660 -0.937 4.276 98 HB3 SER 17 HB1 SER 17 6.633 -0.182 5.873 99 HG SER 17 HG SER 17 6.347 -2.186 6.404 100 H LEU 18 H LEU 18 2.415 -0.057 4.087 101 HA LEU 18 HA LEU 18 2.698 -1.659 1.717 102 HB2 LEU 18 HB2 LEU 18 0.313 -0.170 2.767 103 HB3 LEU 18 HB1 LEU 18 0.300 -1.419 1.541 104 HG LEU 18 HG LEU 18 0.996 -1.807 4.445 105 HD11 LEU 18 HD11 LEU 18 -1.133 -3.005 4.522 106 HD12 LEU 18 HD12 LEU 18 -1.436 -2.533 2.848 107 HD13 LEU 18 HD13 LEU 18 -1.338 -1.303 4.108 108 HD21 LEU 18 HD21 LEU 18 0.674 -3.809 2.208 109 HD22 LEU 18 HD22 LEU 18 0.907 -4.188 3.915 110 HD23 LEU 18 HD23 LEU 18 2.186 -3.378 3.013 111 H CYS 19 H CYS 19 2.184 -0.981 -0.357 112 HA CYS 19 HA CYS 19 2.192 1.894 -0.794 113 HB2 CYS 19 HB2 CYS 19 3.645 -0.252 -2.361 114 HB3 CYS 19 HB1 CYS 19 3.534 1.447 -2.824 115 H CYS 20 H CYS 20 1.529 2.175 -3.292 116 HA CYS 20 HA CYS 20 -1.083 0.903 -3.344 117 HB2 CYS 20 HB2 CYS 20 -0.971 3.351 -3.306 118 HB3 CYS 20 HB1 CYS 20 -0.034 3.328 -4.792 119 H VAL 21 H VAL 21 -1.349 -0.747 -4.626 120 HA VAL 21 HA VAL 21 -0.249 -0.698 -7.330 121 HB VAL 21 HB VAL 21 0.108 -3.212 -7.196 122 HG11 VAL 21 HG11 VAL 21 2.266 -3.108 -6.033 123 HG12 VAL 21 HG12 VAL 21 1.801 -1.558 -5.331 124 HG13 VAL 21 3HG1 VAL 21 2.009 -1.707 -7.074 125 HG21 VAL 21 HG21 VAL 21 -1.262 -3.676 -5.218 126 HG22 VAL 21 HG22 VAL 21 -0.137 -2.758 -4.217 127 HG23 VAL 21 HG23 VAL 21 0.390 -4.253 -4.994 128 H GLY 22 H GLY 22 -2.685 0.181 -6.633 129 HA2 GLY 22 HA2 GLY 22 -4.832 -0.090 -7.589 130 HA3 GLY 22 HA1 GLY 22 -4.548 -1.835 -7.688 131 H ILE 23 H ILE 23 -3.636 -2.427 -5.363 132 HA ILE 23 HA ILE 23 -5.523 -1.526 -3.324 133 HB ILE 23 HB ILE 23 -5.325 -3.790 -2.298 134 HG12 ILE 23 HG12 ILE 23 -4.009 -4.575 -4.915 135 HG13 ILE 23 HG11 ILE 23 -3.178 -4.435 -3.373 136 HG21 ILE 23 HG21 ILE 23 -7.279 -3.271 -3.613 137 HG22 ILE 23 HG22 ILE 23 -6.828 -4.961 -3.840 138 HG23 ILE 23 HG23 ILE 23 -6.450 -3.770 -5.087 139 HD11 ILE 23 HD11 ILE 23 -3.655 -6.755 -3.956 140 HD12 ILE 23 HD12 ILE 23 -5.383 -6.392 -4.008 141 HD13 ILE 23 HD13 ILE 23 -4.498 -6.276 -2.487 142 H CYS 24 H CYS 24 -4.570 -1.782 -1.176 143 HA CYS 24 HA CYS 24 -1.852 -0.927 -1.171 144 HB2 CYS 24 HB2 CYS 24 -3.758 -1.538 1.084 145 HB3 CYS 24 HB1 CYS 24 -2.161 -0.817 1.284 146 H ALA 25 H ALA 25 -0.224 -2.190 -1.271 147 HA ALA 25 HA ALA 25 -0.051 -4.631 0.244 148 HB1 ALA 25 HB1 ALA 25 0.211 -4.609 -2.775 149 HB2 ALA 25 HB2 ALA 25 -1.049 -5.432 -1.856 150 HB3 ALA 25 HB3 ALA 25 0.628 -5.967 -1.731 151 H LYS 26 H LYS 26 2.211 -5.373 0.177 152 HA LYS 26 HA LYS 26 3.922 -3.026 0.097 153 HB2 LYS 26 HB2 LYS 26 3.862 -4.420 2.125 154 HB3 LYS 26 HB1 LYS 26 4.471 -5.783 1.199 155 HG2 LYS 26 HG2 LYS 26 6.528 -4.500 0.717 156 HG3 LYS 26 HG1 LYS 26 5.920 -3.191 1.727 157 HD2 LYS 26 HD2 LYS 26 6.493 -6.012 2.640 158 HD3 LYS 26 HD1 LYS 26 7.512 -4.607 2.938 159 HE2 LYS 26 HE2 LYS 26 5.707 -3.565 4.221 160 HE3 LYS 26 HE1 LYS 26 4.681 -4.961 3.899 161 HZ1 LYS 26 HZ1 LYS 26 6.279 -6.337 5.114 162 HZ2 LYS 26 HZ2 LYS 26 5.644 -5.122 6.078 163 HZ3 LYS 26 HZ3 LYS 26 7.203 -4.968 5.470 164 H THR 27 H THR 27 5.186 -2.646 -1.589 165 HA THR 27 HA THR 27 5.662 -4.546 -3.639 166 HB THR 27 HB THR 27 7.139 -2.534 -4.354 167 HG1 THR 27 HG1 THR 27 7.245 -0.979 -2.921 168 HG21 THR 27 HG21 THR 27 4.904 -2.991 -5.298 169 HG22 THR 27 HG22 THR 27 5.153 -1.259 -5.067 170 HG23 THR 27 HG23 THR 27 4.163 -2.169 -3.926 171 H ILE 28 H ILE 28 8.193 -4.514 -4.360 172 HA ILE 28 HA ILE 28 9.595 -5.759 -2.203 173 HB ILE 28 HB ILE 28 10.655 -4.948 -4.938 174 HG12 ILE 28 HG12 ILE 28 9.693 -7.624 -3.889 175 HG13 ILE 28 HG11 ILE 28 8.840 -6.605 -5.039 176 HG21 ILE 28 HG21 ILE 28 12.505 -6.511 -4.472 177 HG22 ILE 28 HG22 ILE 28 11.869 -6.773 -2.848 178 HG23 ILE 28 HG23 ILE 28 12.473 -5.181 -3.312 179 HD11 ILE 28 HD11 ILE 28 9.964 -8.478 -6.121 180 HD12 ILE 28 HD12 ILE 28 11.514 -7.908 -5.500 181 HD13 ILE 28 HD13 ILE 28 10.617 -6.933 -6.663 182 H ALA 29 H ALA 29 9.907 -2.712 -3.916 183 HA ALA 29 HA ALA 29 11.686 -1.777 -1.816 184 HB1 ALA 29 HB1 ALA 29 12.192 0.066 -3.332 185 HB2 ALA 29 HB2 ALA 29 11.069 -0.594 -4.525 186 HB3 ALA 29 HB3 ALA 29 12.529 -1.491 -4.088 187 HA PRO 30 HA PRO 30 8.044 0.165 -0.256 188 HB2 PRO 30 HB2 PRO 30 9.215 1.624 1.705 189 HB3 PRO 30 HB1 PRO 30 8.964 -0.121 1.835 190 HG2 PRO 30 HG2 PRO 30 11.434 1.389 1.101 191 HG3 PRO 30 HG1 PRO 30 11.265 -0.034 2.144 192 HD2 PRO 30 HD2 PRO 30 12.098 -0.152 -0.435 193 HD3 PRO 30 HD1 PRO 30 11.228 -1.487 0.343 194 H CYS 31 H CYS 31 6.987 1.952 -0.698 195 HA CYS 31 HA CYS 31 8.166 4.048 -2.246 196 HB2 CYS 31 HB2 CYS 31 5.761 4.841 -2.167 197 HB3 CYS 31 HB1 CYS 31 5.999 3.224 -2.839 198 H LYS 32 H LYS 32 7.884 3.389 0.988 199 HA LYS 32 HA LYS 32 7.835 6.210 1.763 200 HB2 LYS 32 HB2 LYS 32 7.150 3.793 3.447 201 HB3 LYS 32 HB1 LYS 32 6.949 5.481 3.895 202 HG2 LYS 32 HG2 LYS 32 5.213 5.724 2.193 203 HG3 LYS 32 HG1 LYS 32 5.443 4.041 1.718 204 HD2 LYS 32 HD2 LYS 32 4.825 3.342 3.987 205 HD3 LYS 32 HD1 LYS 32 4.534 5.029 4.413 206 HE2 LYS 32 HE2 LYS 32 2.822 5.126 2.626 207 HE3 LYS 32 HE1 LYS 32 3.078 3.406 2.331 208 HZ1 LYS 32 HZ1 LYS 32 2.448 2.999 4.666 209 HZ2 LYS 32 HZ2 LYS 32 1.190 3.716 3.796 210 HZ3 LYS 32 HZ3 LYS 32 2.106 4.633 4.846 Start of MODEL 20 1 H1 CYS 1 HT1 CYS 1 -7.529 5.641 6.342 2 H2 CYS 1 HT2 CYS 1 -6.187 6.502 6.838 3 H3 CYS 1 HT3 CYS 1 -6.535 4.990 7.541 4 HA CYS 1 HA CYS 1 -5.795 5.456 4.746 5 HB2 CYS 1 HB2 CYS 1 -3.744 4.182 5.377 6 HB3 CYS 1 HB1 CYS 1 -3.873 5.744 6.169 7 H ALA 2 H ALA 2 -5.499 3.530 3.538 8 HA ALA 2 HA ALA 2 -7.499 1.530 4.143 9 HB1 ALA 2 HB1 ALA 2 -5.698 1.887 1.747 10 HB2 ALA 2 HB2 ALA 2 -7.354 2.474 1.890 11 HB3 ALA 2 HB3 ALA 2 -7.031 0.741 1.870 12 H VAL 3 H VAL 3 -7.029 -0.701 4.264 13 HA VAL 3 HA VAL 3 -4.311 -1.213 5.231 14 HB VAL 3 HB VAL 3 -5.220 -3.209 6.348 15 HG11 VAL 3 HG11 VAL 3 -5.132 -1.142 7.584 16 HG12 VAL 3 HG12 VAL 3 -6.552 -2.074 8.056 17 HG13 VAL 3 3HG1 VAL 3 -6.723 -0.685 6.981 18 HG21 VAL 3 HG21 VAL 3 -7.030 -3.765 4.839 19 HG22 VAL 3 HG22 VAL 3 -7.867 -2.282 5.244 20 HG23 VAL 3 HG23 VAL 3 -7.681 -3.549 6.468 21 H THR 4 H THR 4 -3.960 -3.826 4.983 22 HA THR 4 HA THR 4 -3.216 -4.139 2.321 23 HB THR 4 HB THR 4 -3.593 -6.345 4.380 24 HG1 THR 4 HG1 THR 4 -2.196 -4.867 5.278 25 HG21 THR 4 HG21 THR 4 -3.219 -7.174 2.101 26 HG22 THR 4 HG22 THR 4 -1.791 -7.455 3.104 27 HG23 THR 4 HG23 THR 4 -1.810 -6.128 1.947 28 H HIS 5 H HIS 5 -4.140 -5.000 0.604 29 HA HIS 5 HA HIS 5 -5.503 -6.063 -0.807 30 HB2 HIS 5 HB2 HIS 5 -6.934 -7.102 1.629 31 HB3 HIS 5 HB1 HIS 5 -7.550 -7.381 0.007 32 HD1 HIS 5 HD1 HIS 5 -5.452 -8.928 2.483 33 HD2 HIS 5 HD2 HIS 5 -5.470 -8.695 -1.664 34 HE1 HIS 5 HE1 HIS 5 -4.099 -10.884 1.672 35 H GLU 6 H GLU 6 -6.579 -3.676 1.283 36 HA GLU 6 HA GLU 6 -8.972 -3.150 -0.234 37 HB2 GLU 6 HB2 GLU 6 -7.501 -1.467 1.818 38 HB3 GLU 6 HB1 GLU 6 -9.041 -1.015 1.083 39 HG2 GLU 6 HG2 GLU 6 -9.945 -3.143 2.084 40 HG3 GLU 6 HG1 GLU 6 -8.423 -3.267 2.965 41 H LYS 7 H LYS 7 -9.195 -1.201 -1.540 42 HA LYS 7 HA LYS 7 -6.993 -0.981 -3.312 43 HB2 LYS 7 HB2 LYS 7 -9.618 0.488 -3.250 44 HB3 LYS 7 HB1 LYS 7 -8.414 0.679 -4.522 45 HG2 LYS 7 HG2 LYS 7 -8.571 -1.722 -5.009 46 HG3 LYS 7 HG1 LYS 7 -9.796 -1.860 -3.749 47 HD2 LYS 7 HD2 LYS 7 -11.265 -0.380 -4.976 48 HD3 LYS 7 HD1 LYS 7 -10.035 -0.164 -6.220 49 HE2 LYS 7 HE2 LYS 7 -11.720 -1.794 -6.909 50 HE3 LYS 7 HE1 LYS 7 -10.130 -2.532 -6.764 51 HZ1 LYS 7 HZ1 LYS 7 -10.780 -3.468 -4.656 52 HZ2 LYS 7 HZ2 LYS 7 -11.937 -3.888 -5.815 53 HZ3 LYS 7 HZ3 LYS 7 -12.263 -2.680 -4.705 54 H CYS 8 H CYS 8 -5.932 0.951 -3.971 55 HA CYS 8 HA CYS 8 -5.497 2.705 -1.661 56 HB2 CYS 8 HB2 CYS 8 -3.175 2.894 -2.471 57 HB3 CYS 8 HB1 CYS 8 -3.613 1.255 -2.007 58 H SER 9 H SER 9 -5.558 4.851 -1.982 59 HA SER 9 HA SER 9 -6.004 5.812 -4.681 60 HB2 SER 9 HB2 SER 9 -6.008 7.286 -2.030 61 HB3 SER 9 HB1 SER 9 -6.607 7.900 -3.576 62 HG SER 9 HG SER 9 -7.679 5.520 -2.997 63 H ASP 10 H ASP 10 -3.566 5.483 -2.274 64 HA ASP 10 HA ASP 10 -1.465 6.358 -3.935 65 HB2 ASP 10 HB2 ASP 10 -2.246 8.607 -3.288 66 HB3 ASP 10 HB1 ASP 10 -2.216 8.135 -1.591 67 H ASP 11 H ASP 11 0.609 6.274 -2.591 68 HA ASP 11 HA ASP 11 0.717 3.777 -1.217 69 HB2 ASP 11 HB2 ASP 11 2.803 5.966 -1.207 70 HB3 ASP 11 HB1 ASP 11 3.059 4.282 -0.787 71 H TYR 12 H TYR 12 0.786 7.146 -0.179 72 HA TYR 12 HA TYR 12 1.194 6.384 2.578 73 HB2 TYR 12 HB2 TYR 12 0.759 9.107 1.332 74 HB3 TYR 12 HB1 TYR 12 1.209 8.811 3.008 75 HD1 TYR 12 HD1 TYR 12 2.368 8.770 -0.473 76 HD2 TYR 12 HD2 TYR 12 3.494 8.173 3.583 77 HE1 TYR 12 HE1 TYR 12 4.729 8.853 -1.125 78 HE2 TYR 12 HE2 TYR 12 5.871 8.252 2.933 79 HH TYR 12 HH TYR 12 7.256 7.887 0.855 80 H ASP 13 H ASP 13 -1.314 6.354 0.589 81 HA ASP 13 HA ASP 13 -3.375 7.161 2.461 82 HB2 ASP 13 HB2 ASP 13 -3.896 7.627 0.178 83 HB3 ASP 13 HB1 ASP 13 -3.354 6.046 -0.349 84 H CYS 14 H CYS 14 -1.445 4.520 1.739 85 HA CYS 14 HA CYS 14 -3.244 2.566 2.913 86 HB2 CYS 14 HB2 CYS 14 -0.477 2.260 1.747 87 HB3 CYS 14 HB1 CYS 14 -1.557 0.963 2.263 88 H CYS 15 H CYS 15 -2.817 1.614 4.849 89 HA CYS 15 HA CYS 15 -1.363 3.095 6.791 90 HB2 CYS 15 HB2 CYS 15 -2.474 0.301 6.981 91 HB3 CYS 15 HB1 CYS 15 -2.064 1.359 8.326 92 H GLY 16 H GLY 16 0.210 1.937 8.300 93 HA2 GLY 16 HA2 GLY 16 2.205 0.934 8.708 94 HA3 GLY 16 HA1 GLY 16 1.677 -0.320 7.598 95 H SER 17 H SER 17 3.292 -0.678 6.266 96 HA SER 17 HA SER 17 4.542 1.631 5.001 97 HB2 SER 17 HB2 SER 17 6.534 0.124 4.756 98 HB3 SER 17 HB1 SER 17 6.153 0.565 6.419 99 HG SER 17 HG SER 17 5.529 -1.412 6.844 100 H LEU 18 H LEU 18 2.135 0.248 4.273 101 HA LEU 18 HA LEU 18 2.625 -1.482 2.052 102 HB2 LEU 18 HB2 LEU 18 0.177 0.064 2.852 103 HB3 LEU 18 HB1 LEU 18 0.224 -1.211 1.650 104 HG LEU 18 HG LEU 18 0.764 -1.559 4.597 105 HD11 LEU 18 HD11 LEU 18 -1.626 -2.298 2.927 106 HD12 LEU 18 HD12 LEU 18 -1.562 -1.016 4.137 107 HD13 LEU 18 HD13 LEU 18 -1.389 -2.703 4.626 108 HD21 LEU 18 HD21 LEU 18 0.654 -3.938 4.091 109 HD22 LEU 18 HD22 LEU 18 1.975 -3.164 3.215 110 HD23 LEU 18 HD23 LEU 18 0.480 -3.576 2.376 111 H CYS 19 H CYS 19 2.098 -0.958 -0.132 112 HA CYS 19 HA CYS 19 2.415 1.865 -0.774 113 HB2 CYS 19 HB2 CYS 19 3.622 -0.533 -2.165 114 HB3 CYS 19 HB1 CYS 19 3.778 1.146 -2.679 115 H CYS 20 H CYS 20 1.674 2.244 -3.065 116 HA CYS 20 HA CYS 20 -0.925 0.971 -3.303 117 HB2 CYS 20 HB2 CYS 20 -0.646 3.463 -3.318 118 HB3 CYS 20 HB1 CYS 20 0.225 3.305 -4.836 119 H VAL 21 H VAL 21 -1.100 -0.722 -4.558 120 HA VAL 21 HA VAL 21 0.121 -0.732 -7.194 121 HB VAL 21 HB VAL 21 1.641 -2.001 -5.679 122 HG11 VAL 21 HG11 VAL 21 -0.674 -3.827 -5.151 123 HG12 VAL 21 HG12 VAL 21 0.145 -2.772 -4.001 124 HG13 VAL 21 3HG1 VAL 21 1.002 -4.147 -4.700 125 HG21 VAL 21 HG21 VAL 21 0.240 -3.762 -7.693 126 HG22 VAL 21 HG22 VAL 21 1.818 -4.097 -6.981 127 HG23 VAL 21 HG23 VAL 21 1.596 -2.677 -8.004 128 H GLY 22 H GLY 22 -2.359 0.016 -6.635 129 HA2 GLY 22 HA2 GLY 22 -4.458 -0.457 -7.598 130 HA3 GLY 22 HA1 GLY 22 -4.053 -2.181 -7.562 131 H ILE 23 H ILE 23 -3.315 -2.773 -5.276 132 HA ILE 23 HA ILE 23 -5.301 -1.848 -3.344 133 HB ILE 23 HB ILE 23 -5.055 -4.046 -2.235 134 HG12 ILE 23 HG12 ILE 23 -3.396 -4.820 -4.652 135 HG13 ILE 23 HG11 ILE 23 -2.751 -4.535 -3.043 136 HG21 ILE 23 HG21 ILE 23 -6.281 -5.402 -3.875 137 HG22 ILE 23 HG22 ILE 23 -5.833 -4.260 -5.141 138 HG23 ILE 23 HG23 ILE 23 -6.875 -3.741 -3.816 139 HD11 ILE 23 HD11 ILE 23 -4.011 -6.446 -2.199 140 HD12 ILE 23 HD12 ILE 23 -2.963 -6.913 -3.537 141 HD13 ILE 23 HD13 ILE 23 -4.695 -6.707 -3.802 142 H CYS 24 H CYS 24 -4.486 -1.911 -1.140 143 HA CYS 24 HA CYS 24 -1.831 -0.890 -0.969 144 HB2 CYS 24 HB2 CYS 24 -3.868 -1.569 1.150 145 HB3 CYS 24 HB1 CYS 24 -2.319 -0.795 1.472 146 H ALA 25 H ALA 25 -0.191 -2.159 -1.120 147 HA ALA 25 HA ALA 25 0.038 -4.506 0.545 148 HB1 ALA 25 HB1 ALA 25 0.221 -4.627 -2.464 149 HB2 ALA 25 HB2 ALA 25 -0.984 -5.434 -1.454 150 HB3 ALA 25 HB3 ALA 25 0.717 -5.904 -1.358 151 H LYS 26 H LYS 26 2.275 -5.201 0.588 152 HA LYS 26 HA LYS 26 4.027 -2.958 0.178 153 HB2 LYS 26 HB2 LYS 26 4.230 -4.153 2.266 154 HB3 LYS 26 HB1 LYS 26 4.508 -5.667 1.417 155 HG2 LYS 26 HG2 LYS 26 6.621 -4.819 0.548 156 HG3 LYS 26 HG1 LYS 26 6.331 -3.277 1.347 157 HD2 LYS 26 HD2 LYS 26 6.540 -5.903 2.809 158 HD3 LYS 26 HD1 LYS 26 7.900 -4.813 2.549 159 HE2 LYS 26 HE2 LYS 26 5.349 -4.115 4.007 160 HE3 LYS 26 HE1 LYS 26 6.891 -4.509 4.757 161 HZ1 LYS 26 HZ1 LYS 26 7.870 -2.579 3.667 162 HZ2 LYS 26 HZ2 LYS 26 6.586 -2.157 4.664 163 HZ3 LYS 26 HZ3 LYS 26 6.375 -2.158 3.004 164 H THR 27 H THR 27 4.855 -2.658 -1.754 165 HA THR 27 HA THR 27 5.173 -4.682 -3.701 166 HB THR 27 HB THR 27 6.364 -2.693 -4.836 167 HG1 THR 27 HG1 THR 27 6.385 -0.813 -3.745 168 HG21 THR 27 HG21 THR 27 4.227 -1.541 -5.260 169 HG22 THR 27 HG22 THR 27 3.511 -2.361 -3.872 170 HG23 THR 27 HG23 THR 27 4.010 -3.291 -5.285 171 H ILE 28 H ILE 28 7.555 -4.440 -4.860 172 HA ILE 28 HA ILE 28 9.359 -5.618 -2.965 173 HB ILE 28 HB ILE 28 9.919 -4.808 -5.848 174 HG12 ILE 28 HG12 ILE 28 8.999 -7.486 -4.765 175 HG13 ILE 28 HG11 ILE 28 7.989 -6.360 -5.661 176 HG21 ILE 28 HG21 ILE 28 11.935 -5.215 -4.512 177 HG22 ILE 28 HG22 ILE 28 11.714 -6.476 -5.725 178 HG23 ILE 28 HG23 ILE 28 11.306 -6.794 -4.040 179 HD11 ILE 28 HD11 ILE 28 10.438 -7.764 -6.713 180 HD12 ILE 28 HD12 ILE 28 9.426 -6.639 -7.619 181 HD13 ILE 28 HD13 ILE 28 8.761 -8.179 -7.073 182 H ALA 29 H ALA 29 9.136 -2.629 -4.787 183 HA ALA 29 HA ALA 29 11.489 -1.532 -3.499 184 HB1 ALA 29 HB1 ALA 29 11.142 -1.101 -5.884 185 HB2 ALA 29 HB2 ALA 29 11.100 0.404 -4.966 186 HB3 ALA 29 HB3 ALA 29 9.598 -0.328 -5.526 187 HA PRO 30 HA PRO 30 8.842 0.125 -0.235 188 HB2 PRO 30 HB2 PRO 30 11.190 1.787 0.409 189 HB3 PRO 30 HB1 PRO 30 10.338 0.609 1.413 190 HG2 PRO 30 HG2 PRO 30 12.778 0.105 0.428 191 HG3 PRO 30 HG1 PRO 30 11.558 -1.169 0.603 192 HD2 PRO 30 HD2 PRO 30 12.418 0.306 -1.853 193 HD3 PRO 30 HD1 PRO 30 12.027 -1.415 -1.627 194 H CYS 31 H CYS 31 7.432 1.698 -0.474 195 HA CYS 31 HA CYS 31 7.991 3.937 -2.226 196 HB2 CYS 31 HB2 CYS 31 5.560 4.392 -1.842 197 HB3 CYS 31 HB1 CYS 31 5.901 2.801 -2.525 198 H LYS 32 H LYS 32 7.815 3.194 1.128 199 HA LYS 32 HA LYS 32 7.825 6.041 1.793 200 HB2 LYS 32 HB2 LYS 32 7.199 3.684 3.594 201 HB3 LYS 32 HB1 LYS 32 7.073 5.383 4.022 202 HG2 LYS 32 HG2 LYS 32 5.291 5.652 2.339 203 HG3 LYS 32 HG1 LYS 32 5.393 3.929 1.985 204 HD2 LYS 32 HD2 LYS 32 4.861 3.479 4.376 205 HD3 LYS 32 HD1 LYS 32 4.610 5.208 4.600 206 HE2 LYS 32 HE2 LYS 32 2.863 5.151 2.858 207 HE3 LYS 32 HE1 LYS 32 3.078 3.408 2.725 208 HZ1 LYS 32 HZ1 LYS 32 2.133 4.897 5.107 209 HZ2 LYS 32 HZ2 LYS 32 2.479 3.282 5.140 210 HZ3 LYS 32 HZ3 LYS 32 1.209 3.851 4.175
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