NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
606785 | 2ndn | 26066 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -9.497 -2.620 -0.243 2 HA2 GLY 1 HA1 GLY 1 -9.534 -3.460 2.018 3 HA3 GLY 1 HA2 GLY 1 -10.141 -4.986 1.391 4 H ILE 2 H ILE 2 -8.063 -4.623 -0.855 5 HA ILE 2 HA ILE 2 -5.981 -6.095 0.517 6 HB ILE 2 HB ILE 2 -6.135 -5.323 -2.399 7 HG12 ILE 2 HG12 ILE 2 -8.076 -6.663 -1.775 8 HG13 ILE 2 HG11 ILE 2 -6.970 -7.622 -2.753 9 HG21 ILE 2 HG21 ILE 2 -4.615 -7.337 -2.614 10 HG22 ILE 2 HG22 ILE 2 -3.907 -5.899 -1.879 11 HG23 ILE 2 HG23 ILE 2 -4.412 -7.251 -0.865 12 HD11 ILE 2 HD11 ILE 2 -6.118 -8.201 -0.240 13 HD12 ILE 2 HD12 ILE 2 -7.852 -7.994 0.004 14 HD13 ILE 2 HD13 ILE 2 -7.262 -9.167 -1.172 15 H CYS 3 H CYS 3 -3.871 -5.469 0.786 16 HA CYS 3 HA CYS 3 -3.260 -2.655 0.157 17 HB2 CYS 3 HB1 CYS 3 -2.778 -4.274 2.625 18 HB3 CYS 3 HB2 CYS 3 -1.630 -3.007 2.204 19 H PHE 4 H PHE 4 -1.418 -2.232 -0.914 20 HA PHE 4 HA PHE 4 0.446 -4.473 -1.354 21 HB2 PHE 4 HB1 PHE 4 0.855 -3.611 -3.601 22 HB3 PHE 4 HB2 PHE 4 -0.860 -3.941 -3.378 23 HD1 PHE 4 HD2 PHE 4 -2.409 -2.014 -2.908 24 HD2 PHE 4 HD1 PHE 4 1.610 -1.480 -4.201 25 HE1 PHE 4 HE2 PHE 4 -2.943 0.284 -3.605 26 HE2 PHE 4 HE1 PHE 4 1.083 0.819 -4.900 27 HZ PHE 4 HZ PHE 4 -1.195 1.705 -4.602 28 H LYS 5 H LYS 5 2.553 -4.115 -0.978 29 HA LYS 5 HA LYS 5 3.327 -1.413 -0.126 30 HB2 LYS 5 HB1 LYS 5 3.673 -3.042 1.597 31 HB3 LYS 5 HB2 LYS 5 4.493 -4.129 0.484 32 HG2 LYS 5 HG1 LYS 5 6.452 -2.973 0.573 33 HG3 LYS 5 HG2 LYS 5 5.655 -1.430 0.888 34 HD2 LYS 5 HD1 LYS 5 6.564 -1.827 2.950 35 HD3 LYS 5 HD2 LYS 5 5.005 -2.630 3.151 36 HE2 LYS 5 HE2 LYS 5 5.923 -4.737 3.013 37 HE3 LYS 5 HE1 LYS 5 7.314 -4.186 2.081 38 HZ1 LYS 5 HZ1 LYS 5 6.997 -3.257 4.847 39 HZ2 LYS 5 HZ2 LYS 5 8.410 -3.499 3.951 40 HZ3 LYS 5 HZ3 LYS 5 7.568 -4.826 4.576 41 H ASP 6 H ASP 6 4.940 -0.311 -1.106 42 HA ASP 6 HA ASP 6 5.936 -1.380 -3.618 43 HB2 ASP 6 HB1 ASP 6 5.763 1.322 -2.372 44 HB3 ASP 6 HB2 ASP 6 7.021 1.051 -3.575 45 HA PRO 7 HA PRO 7 10.009 -2.363 -2.325 46 HB2 PRO 7 HB1 PRO 7 11.517 -1.478 -4.400 47 HB3 PRO 7 HB2 PRO 7 10.474 -2.900 -4.509 48 HG2 PRO 7 HG1 PRO 7 9.965 -0.102 -5.443 49 HG3 PRO 7 HG2 PRO 7 9.619 -1.635 -6.264 50 HD2 PRO 7 HD1 PRO 7 7.715 -0.220 -4.960 51 HD3 PRO 7 HD2 PRO 7 7.690 -1.992 -5.055 52 H PHE 8 H PHE 8 9.308 0.949 -3.158 53 HA PHE 8 HA PHE 8 11.780 2.029 -2.199 54 HB2 PHE 8 HB1 PHE 8 9.119 3.290 -2.870 55 HB3 PHE 8 HB2 PHE 8 10.511 4.219 -2.319 56 HD1 PHE 8 HD1 PHE 8 9.270 2.016 -5.011 57 HD2 PHE 8 HD2 PHE 8 12.247 4.803 -3.794 58 HE1 PHE 8 HE1 PHE 8 10.094 2.142 -7.326 59 HE2 PHE 8 HE2 PHE 8 13.076 4.934 -6.107 60 HZ PHE 8 HZ PHE 8 11.999 3.603 -7.876 61 H GLY 9 H GLY 9 8.815 1.047 -0.756 62 HA2 GLY 9 HA1 GLY 9 8.804 0.662 1.637 63 HA3 GLY 9 HA2 GLY 9 9.762 2.124 1.822 64 H SER 10 H SER 10 7.235 2.325 -0.464 65 HA SER 10 HA SER 10 5.818 4.193 1.246 66 HB2 SER 10 HB1 SER 10 5.705 3.495 -1.672 67 HB3 SER 10 HB2 SER 10 4.385 4.398 -0.929 68 HG SER 10 HG SER 10 6.071 5.723 -1.843 69 H THR 11 H THR 11 3.953 3.813 2.263 70 HA THR 11 HA THR 11 2.747 1.163 1.971 71 HB THR 11 HB THR 11 1.905 3.161 4.046 72 HG1 THR 11 HG1 THR 11 4.010 1.348 4.540 73 HG21 THR 11 HG21 THR 11 0.585 1.177 3.977 74 HG22 THR 11 HG22 THR 11 1.659 1.027 5.367 75 HG23 THR 11 HG23 THR 11 2.016 0.152 3.879 76 H LEU 12 H LEU 12 1.122 0.992 0.578 77 HA LEU 12 HA LEU 12 -0.917 3.108 0.538 78 HB2 LEU 12 HB1 LEU 12 0.362 1.751 -1.823 79 HB3 LEU 12 HB2 LEU 12 -1.161 2.632 -1.929 80 HG LEU 12 HG LEU 12 1.520 3.799 -1.180 81 HD11 LEU 12 HD11 LEU 12 -0.059 4.575 -3.583 82 HD12 LEU 12 HD12 LEU 12 0.905 3.100 -3.631 83 HD13 LEU 12 HD13 LEU 12 1.681 4.649 -3.301 84 HD21 LEU 12 HD21 LEU 12 0.412 5.507 -0.306 85 HD22 LEU 12 HD22 LEU 12 -1.125 4.709 -0.643 86 HD23 LEU 12 HD23 LEU 12 -0.397 5.768 -1.852 87 H CYS 13 H CYS 13 -3.013 2.427 0.390 88 HA CYS 13 HA CYS 13 -3.442 -0.487 0.288 89 HB2 CYS 13 HB1 CYS 13 -4.728 1.610 2.028 90 HB3 CYS 13 HB2 CYS 13 -5.489 0.047 1.746 91 H ALA 14 H ALA 14 -5.312 -1.241 -0.746 92 HA ALA 14 HA ALA 14 -6.345 0.586 -2.775 93 HB1 ALA 14 HB1 ALA 14 -6.346 -1.189 -4.109 94 HB2 ALA 14 HB2 ALA 14 -5.616 -2.115 -2.797 95 HB3 ALA 14 HB3 ALA 14 -7.368 -2.093 -2.991 96 HA PRO 15 HA PRO 15 -10.357 1.074 -1.066 97 HB2 PRO 15 HB1 PRO 15 -11.949 0.929 -3.260 98 HB3 PRO 15 HB2 PRO 15 -10.895 2.310 -2.927 99 HG2 PRO 15 HG1 PRO 15 -10.449 -0.016 -4.760 100 HG3 PRO 15 HG2 PRO 15 -10.117 1.705 -5.033 101 HD2 PRO 15 HD1 PRO 15 -8.182 -0.061 -4.349 102 HD3 PRO 15 HD2 PRO 15 -8.142 1.643 -3.848 103 H ASP 16 H ASP 16 -9.602 -1.803 -2.812 104 HA ASP 16 HA ASP 16 -12.037 -3.195 -2.514 105 HB2 ASP 16 HB1 ASP 16 -10.131 -3.834 -4.035 106 HB3 ASP 16 HB2 ASP 16 -9.277 -4.418 -2.610 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -9.420 -2.591 -0.520 2 HA2 GLY 1 HA1 GLY 1 -9.215 -3.576 1.668 3 HA3 GLY 1 HA2 GLY 1 -10.040 -5.002 1.056 4 H ILE 2 H ILE 2 -7.711 -3.698 -1.060 5 HA ILE 2 HA ILE 2 -5.924 -5.942 -0.456 6 HB ILE 2 HB ILE 2 -5.929 -4.146 -2.884 7 HG12 ILE 2 HG12 ILE 2 -8.004 -5.417 -2.776 8 HG13 ILE 2 HG11 ILE 2 -6.969 -6.072 -4.041 9 HG21 ILE 2 HG21 ILE 2 -4.741 -6.472 -3.624 10 HG22 ILE 2 HG22 ILE 2 -3.877 -5.030 -3.096 11 HG23 ILE 2 HG23 ILE 2 -4.207 -6.329 -1.949 12 HD11 ILE 2 HD11 ILE 2 -8.131 -7.398 -1.816 13 HD12 ILE 2 HD12 ILE 2 -7.167 -8.071 -3.130 14 HD13 ILE 2 HD13 ILE 2 -6.376 -7.476 -1.670 15 H CYS 3 H CYS 3 -4.180 -5.558 0.722 16 HA CYS 3 HA CYS 3 -2.973 -2.871 0.626 17 HB2 CYS 3 HB1 CYS 3 -3.445 -4.780 2.861 18 HB3 CYS 3 HB2 CYS 3 -1.969 -3.823 2.912 19 H PHE 4 H PHE 4 -0.949 -2.701 -0.088 20 HA PHE 4 HA PHE 4 0.855 -4.987 0.066 21 HB2 PHE 4 HB1 PHE 4 1.506 -4.659 -2.343 22 HB3 PHE 4 HB2 PHE 4 -0.105 -5.328 -2.104 23 HD1 PHE 4 HD1 PHE 4 1.735 -2.212 -2.871 24 HD2 PHE 4 HD2 PHE 4 -2.000 -4.249 -2.961 25 HE1 PHE 4 HE1 PHE 4 0.791 -0.409 -4.254 26 HE2 PHE 4 HE2 PHE 4 -2.951 -2.451 -4.344 27 HZ PHE 4 HZ PHE 4 -1.556 -0.528 -4.993 28 H LYS 5 H LYS 5 3.031 -4.444 0.076 29 HA LYS 5 HA LYS 5 3.571 -1.626 0.611 30 HB2 LYS 5 HB1 LYS 5 5.205 -4.126 1.067 31 HB3 LYS 5 HB2 LYS 5 5.787 -2.503 1.414 32 HG2 LYS 5 HG1 LYS 5 4.005 -2.190 3.037 33 HG3 LYS 5 HG2 LYS 5 3.375 -3.799 2.670 34 HD2 LYS 5 HD1 LYS 5 6.227 -3.539 3.488 35 HD3 LYS 5 HD2 LYS 5 4.978 -3.384 4.726 36 HE2 LYS 5 HE2 LYS 5 4.970 -5.682 2.803 37 HE3 LYS 5 HE1 LYS 5 5.979 -5.716 4.248 38 HZ1 LYS 5 HZ1 LYS 5 3.248 -4.937 4.738 39 HZ2 LYS 5 HZ2 LYS 5 4.217 -6.056 5.556 40 HZ3 LYS 5 HZ3 LYS 5 3.409 -6.513 4.142 41 H ASP 6 H ASP 6 4.478 -0.345 -0.848 42 HA ASP 6 HA ASP 6 5.264 -1.291 -3.407 43 HB2 ASP 6 HB1 ASP 6 5.199 1.344 -2.025 44 HB3 ASP 6 HB2 ASP 6 6.247 1.194 -3.433 45 HA PRO 7 HA PRO 7 9.546 -2.123 -2.970 46 HB2 PRO 7 HB1 PRO 7 10.585 -1.085 -5.253 47 HB3 PRO 7 HB2 PRO 7 9.599 -2.551 -5.226 48 HG2 PRO 7 HG1 PRO 7 8.805 0.252 -5.911 49 HG3 PRO 7 HG2 PRO 7 8.369 -1.263 -6.721 50 HD2 PRO 7 HD1 PRO 7 6.699 0.007 -5.008 51 HD3 PRO 7 HD2 PRO 7 6.728 -1.761 -5.182 52 H PHE 8 H PHE 8 8.518 1.161 -3.383 53 HA PHE 8 HA PHE 8 11.090 2.350 -2.931 54 HB2 PHE 8 HB1 PHE 8 8.301 3.517 -2.835 55 HB3 PHE 8 HB2 PHE 8 9.779 4.462 -2.695 56 HD1 PHE 8 HD2 PHE 8 11.522 3.418 -4.709 57 HD2 PHE 8 HD1 PHE 8 7.306 3.982 -4.849 58 HE1 PHE 8 HE2 PHE 8 11.632 3.611 -7.160 59 HE2 PHE 8 HE1 PHE 8 7.409 4.173 -7.300 60 HZ PHE 8 HZ PHE 8 9.574 3.989 -8.458 61 H GLY 9 H GLY 9 8.571 1.097 -0.951 62 HA2 GLY 9 HA1 GLY 9 9.187 0.582 1.359 63 HA3 GLY 9 HA2 GLY 9 9.966 2.156 1.428 64 H SER 10 H SER 10 7.557 3.201 -0.157 65 HA SER 10 HA SER 10 6.109 4.136 2.105 66 HB2 SER 10 HB1 SER 10 5.175 4.339 -0.756 67 HB3 SER 10 HB2 SER 10 4.857 5.448 0.577 68 HG SER 10 HG SER 10 6.721 5.711 -1.172 69 H THR 11 H THR 11 3.898 3.810 2.607 70 HA THR 11 HA THR 11 2.982 1.104 1.970 71 HB THR 11 HB THR 11 1.901 3.003 4.060 72 HG1 THR 11 HG1 THR 11 3.604 0.771 4.498 73 HG21 THR 11 HG21 THR 11 0.790 0.693 3.017 74 HG22 THR 11 HG22 THR 11 0.388 1.433 4.566 75 HG23 THR 11 HG23 THR 11 1.589 0.145 4.491 76 H LEU 12 H LEU 12 1.272 0.713 0.713 77 HA LEU 12 HA LEU 12 -0.627 2.889 0.176 78 HB2 LEU 12 HB1 LEU 12 1.185 2.480 -1.632 79 HB3 LEU 12 HB2 LEU 12 0.245 1.036 -2.008 80 HG LEU 12 HG LEU 12 -1.740 2.632 -2.295 81 HD11 LEU 12 HD11 LEU 12 0.553 4.562 -2.185 82 HD12 LEU 12 HD12 LEU 12 -0.996 4.635 -1.344 83 HD13 LEU 12 HD13 LEU 12 -0.923 4.919 -3.083 84 HD21 LEU 12 HD21 LEU 12 -0.638 1.482 -4.143 85 HD22 LEU 12 HD22 LEU 12 0.578 2.756 -4.222 86 HD23 LEU 12 HD23 LEU 12 -1.106 3.119 -4.602 87 H CYS 13 H CYS 13 -2.739 2.266 -0.182 88 HA CYS 13 HA CYS 13 -3.334 -0.608 -0.065 89 HB2 CYS 13 HB1 CYS 13 -4.278 1.539 1.796 90 HB3 CYS 13 HB2 CYS 13 -5.346 0.187 1.433 91 H ALA 14 H ALA 14 -5.440 -1.185 -0.862 92 HA ALA 14 HA ALA 14 -6.412 0.731 -2.866 93 HB1 ALA 14 HB1 ALA 14 -7.522 -1.901 -3.164 94 HB2 ALA 14 HB2 ALA 14 -6.508 -0.980 -4.276 95 HB3 ALA 14 HB3 ALA 14 -5.764 -1.989 -3.034 96 HA PRO 15 HA PRO 15 -10.333 1.241 -0.962 97 HB2 PRO 15 HB1 PRO 15 -12.020 1.237 -3.089 98 HB3 PRO 15 HB2 PRO 15 -10.917 2.573 -2.741 99 HG2 PRO 15 HG1 PRO 15 -10.612 0.326 -4.694 100 HG3 PRO 15 HG2 PRO 15 -10.246 2.047 -4.904 101 HD2 PRO 15 HD1 PRO 15 -8.332 0.205 -4.385 102 HD3 PRO 15 HD2 PRO 15 -8.224 1.882 -3.811 103 H ASP 16 H ASP 16 -9.788 -1.549 -2.946 104 HA ASP 16 HA ASP 16 -12.242 -2.883 -2.506 105 HB2 ASP 16 HB1 ASP 16 -9.494 -3.796 -3.315 106 HB3 ASP 16 HB2 ASP 16 -10.785 -4.959 -3.027 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -9.433 -2.408 0.097 2 HA2 GLY 1 HA1 GLY 1 -9.180 -3.514 2.251 3 HA3 GLY 1 HA2 GLY 1 -9.921 -4.938 1.537 4 H ILE 2 H ILE 2 -8.219 -4.292 -0.948 5 HA ILE 2 HA ILE 2 -6.060 -6.041 -0.239 6 HB ILE 2 HB ILE 2 -6.466 -4.509 -2.809 7 HG12 ILE 2 HG12 ILE 2 -7.307 -7.323 -2.083 8 HG13 ILE 2 HG11 ILE 2 -8.394 -5.950 -2.262 9 HG21 ILE 2 HG21 ILE 2 -5.020 -6.223 -3.788 10 HG22 ILE 2 HG22 ILE 2 -4.192 -5.329 -2.515 11 HG23 ILE 2 HG23 ILE 2 -4.807 -6.951 -2.195 12 HD11 ILE 2 HD11 ILE 2 -6.787 -7.327 -4.391 13 HD12 ILE 2 HD12 ILE 2 -8.541 -7.202 -4.252 14 HD13 ILE 2 HD13 ILE 2 -7.582 -5.772 -4.636 15 H CYS 3 H CYS 3 -3.889 -5.591 -0.083 16 HA CYS 3 HA CYS 3 -3.075 -2.772 -0.231 17 HB2 CYS 3 HB1 CYS 3 -2.931 -4.608 2.107 18 HB3 CYS 3 HB2 CYS 3 -1.564 -3.533 1.838 19 H PHE 4 H PHE 4 -0.735 -2.478 -0.394 20 HA PHE 4 HA PHE 4 0.733 -4.834 -1.327 21 HB2 PHE 4 HB1 PHE 4 0.756 -2.242 -2.873 22 HB3 PHE 4 HB2 PHE 4 1.447 -3.790 -3.349 23 HD1 PHE 4 HD2 PHE 4 -0.337 -5.767 -3.427 24 HD2 PHE 4 HD1 PHE 4 -1.225 -1.624 -3.837 25 HE1 PHE 4 HE2 PHE 4 -2.419 -6.334 -4.610 26 HE2 PHE 4 HE1 PHE 4 -3.308 -2.184 -5.020 27 HZ PHE 4 HZ PHE 4 -3.908 -4.541 -5.407 28 H LYS 5 H LYS 5 3.089 -4.357 -1.602 29 HA LYS 5 HA LYS 5 4.009 -2.184 0.148 30 HB2 LYS 5 HB1 LYS 5 5.065 -5.015 0.255 31 HB3 LYS 5 HB2 LYS 5 5.587 -3.664 1.252 32 HG2 LYS 5 HG1 LYS 5 3.588 -3.643 2.472 33 HG3 LYS 5 HG2 LYS 5 2.751 -4.639 1.277 34 HD2 LYS 5 HD1 LYS 5 5.087 -5.602 2.922 35 HD3 LYS 5 HD2 LYS 5 3.399 -5.836 3.384 36 HE2 LYS 5 HE2 LYS 5 3.058 -6.974 1.173 37 HE3 LYS 5 HE1 LYS 5 4.804 -6.905 0.943 38 HZ1 LYS 5 HZ1 LYS 5 5.031 -8.706 2.185 39 HZ2 LYS 5 HZ2 LYS 5 3.351 -8.831 2.316 40 HZ3 LYS 5 HZ3 LYS 5 4.228 -7.979 3.484 41 H ASP 6 H ASP 6 5.024 -0.922 -1.297 42 HA ASP 6 HA ASP 6 6.590 -2.057 -3.449 43 HB2 ASP 6 HB1 ASP 6 5.510 0.583 -2.752 44 HB3 ASP 6 HB2 ASP 6 7.111 0.639 -3.485 45 HA PRO 7 HA PRO 7 10.575 -1.910 -1.628 46 HB2 PRO 7 HB1 PRO 7 12.119 -0.990 -3.663 47 HB3 PRO 7 HB2 PRO 7 11.421 -2.614 -3.645 48 HG2 PRO 7 HG1 PRO 7 10.461 -0.154 -5.055 49 HG3 PRO 7 HG2 PRO 7 10.553 -1.822 -5.652 50 HD2 PRO 7 HD1 PRO 7 8.243 -0.714 -4.777 51 HD3 PRO 7 HD2 PRO 7 8.602 -2.442 -4.593 52 H PHE 8 H PHE 8 9.145 0.981 -2.816 53 HA PHE 8 HA PHE 8 11.233 2.761 -1.971 54 HB2 PHE 8 HB1 PHE 8 8.362 3.249 -2.778 55 HB3 PHE 8 HB2 PHE 8 9.501 4.533 -2.386 56 HD1 PHE 8 HD1 PHE 8 8.889 1.719 -4.714 57 HD2 PHE 8 HD2 PHE 8 10.990 5.349 -3.992 58 HE1 PHE 8 HE1 PHE 8 9.679 1.722 -7.044 59 HE2 PHE 8 HE2 PHE 8 11.782 5.358 -6.322 60 HZ PHE 8 HZ PHE 8 11.128 3.542 -7.850 61 H GLY 9 H GLY 9 8.554 1.202 -0.477 62 HA2 GLY 9 HA1 GLY 9 8.528 1.076 1.941 63 HA3 GLY 9 HA2 GLY 9 9.082 2.743 1.981 64 H SER 10 H SER 10 7.194 3.541 -0.143 65 HA SER 10 HA SER 10 5.092 4.442 1.452 66 HB2 SER 10 HB1 SER 10 5.317 4.162 -1.548 67 HB3 SER 10 HB2 SER 10 3.956 4.953 -0.754 68 HG SER 10 HG SER 10 6.659 5.739 -0.851 69 H THR 11 H THR 11 3.290 3.525 2.175 70 HA THR 11 HA THR 11 2.674 0.800 1.421 71 HB THR 11 HB THR 11 0.949 2.410 3.266 72 HG1 THR 11 HG1 THR 11 2.550 2.677 4.611 73 HG21 THR 11 HG21 THR 11 0.172 0.406 3.895 74 HG22 THR 11 HG22 THR 11 1.798 -0.255 4.065 75 HG23 THR 11 HG23 THR 11 1.012 -0.243 2.487 76 H LEU 12 H LEU 12 1.518 0.432 -0.353 77 HA LEU 12 HA LEU 12 -0.492 2.377 -1.205 78 HB2 LEU 12 HB1 LEU 12 1.319 1.292 -2.711 79 HB3 LEU 12 HB2 LEU 12 0.239 -0.100 -2.719 80 HG LEU 12 HG LEU 12 -1.550 1.466 -3.596 81 HD11 LEU 12 HD11 LEU 12 -1.141 3.623 -3.946 82 HD12 LEU 12 HD12 LEU 12 0.380 3.276 -4.767 83 HD13 LEU 12 HD13 LEU 12 0.338 3.406 -3.009 84 HD21 LEU 12 HD21 LEU 12 -0.665 -0.060 -5.127 85 HD22 LEU 12 HD22 LEU 12 0.914 0.728 -5.141 86 HD23 LEU 12 HD23 LEU 12 -0.468 1.505 -5.916 87 H CYS 13 H CYS 13 -2.434 2.098 -0.321 88 HA CYS 13 HA CYS 13 -3.484 -0.649 -0.107 89 HB2 CYS 13 HB1 CYS 13 -3.739 1.723 1.701 90 HB3 CYS 13 HB2 CYS 13 -5.050 0.549 1.640 91 H ALA 14 H ALA 14 -5.486 -1.087 -0.919 92 HA ALA 14 HA ALA 14 -6.681 1.010 -2.582 93 HB1 ALA 14 HB1 ALA 14 -6.945 -0.582 -4.101 94 HB2 ALA 14 HB2 ALA 14 -6.156 -1.723 -3.012 95 HB3 ALA 14 HB3 ALA 14 -7.910 -1.538 -2.975 96 HA PRO 15 HA PRO 15 -10.319 1.426 -0.164 97 HB2 PRO 15 HB1 PRO 15 -12.258 1.620 -2.054 98 HB3 PRO 15 HB2 PRO 15 -11.086 2.907 -1.745 99 HG2 PRO 15 HG1 PRO 15 -11.085 0.820 -3.890 100 HG3 PRO 15 HG2 PRO 15 -10.704 2.547 -4.010 101 HD2 PRO 15 HD1 PRO 15 -8.787 0.639 -3.883 102 HD3 PRO 15 HD2 PRO 15 -8.566 2.261 -3.197 103 H ASP 16 H ASP 16 -9.918 -1.278 -2.209 104 HA ASP 16 HA ASP 16 -12.387 -2.597 -1.702 105 HB2 ASP 16 HB1 ASP 16 -9.704 -3.528 -2.705 106 HB3 ASP 16 HB2 ASP 16 -11.028 -4.656 -2.429 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -9.383 -2.691 -0.049 2 HA2 GLY 1 HA1 GLY 1 -8.905 -3.748 2.078 3 HA3 GLY 1 HA2 GLY 1 -9.731 -5.183 1.490 4 H ILE 2 H ILE 2 -7.806 -3.769 -0.891 5 HA ILE 2 HA ILE 2 -5.798 -5.874 -0.530 6 HB ILE 2 HB ILE 2 -6.216 -4.137 -2.961 7 HG12 ILE 2 HG12 ILE 2 -7.297 -6.905 -2.389 8 HG13 ILE 2 HG11 ILE 2 -8.252 -5.428 -2.474 9 HG21 ILE 2 HG21 ILE 2 -4.664 -5.408 -4.028 10 HG22 ILE 2 HG22 ILE 2 -4.048 -5.564 -2.384 11 HG23 ILE 2 HG23 ILE 2 -5.031 -6.850 -3.081 12 HD11 ILE 2 HD11 ILE 2 -6.893 -6.916 -4.681 13 HD12 ILE 2 HD12 ILE 2 -8.583 -6.435 -4.536 14 HD13 ILE 2 HD13 ILE 2 -7.345 -5.222 -4.861 15 H CYS 3 H CYS 3 -3.966 -5.322 0.432 16 HA CYS 3 HA CYS 3 -3.019 -2.549 0.209 17 HB2 CYS 3 HB1 CYS 3 -2.813 -4.640 2.316 18 HB3 CYS 3 HB2 CYS 3 -1.456 -3.530 2.145 19 H PHE 4 H PHE 4 -0.993 -2.076 -0.534 20 HA PHE 4 HA PHE 4 0.536 -4.332 -1.652 21 HB2 PHE 4 HB1 PHE 4 0.517 -1.490 -2.678 22 HB3 PHE 4 HB2 PHE 4 1.261 -2.891 -3.442 23 HD1 PHE 4 HD2 PHE 4 -0.322 -4.812 -4.120 24 HD2 PHE 4 HD1 PHE 4 -1.625 -0.851 -3.266 25 HE1 PHE 4 HE2 PHE 4 -2.392 -5.225 -5.382 26 HE2 PHE 4 HE1 PHE 4 -3.698 -1.259 -4.525 27 HZ PHE 4 HZ PHE 4 -4.086 -3.447 -5.585 28 H LYS 5 H LYS 5 2.888 -3.934 -1.867 29 HA LYS 5 HA LYS 5 3.947 -2.087 0.153 30 HB2 LYS 5 HB1 LYS 5 4.745 -4.991 -0.118 31 HB3 LYS 5 HB2 LYS 5 5.488 -3.823 0.966 32 HG2 LYS 5 HG1 LYS 5 3.992 -4.291 2.523 33 HG3 LYS 5 HG2 LYS 5 2.683 -3.823 1.435 34 HD2 LYS 5 HD1 LYS 5 2.041 -5.964 1.576 35 HD3 LYS 5 HD2 LYS 5 3.387 -6.296 0.484 36 HE2 LYS 5 HE2 LYS 5 4.818 -6.869 2.296 37 HE3 LYS 5 HE1 LYS 5 3.664 -6.264 3.482 38 HZ1 LYS 5 HZ1 LYS 5 2.171 -8.082 2.284 39 HZ2 LYS 5 HZ2 LYS 5 3.161 -8.447 3.605 40 HZ3 LYS 5 HZ3 LYS 5 3.687 -8.791 2.035 41 H ASP 6 H ASP 6 4.924 -0.707 -1.240 42 HA ASP 6 HA ASP 6 6.365 -1.577 -3.550 43 HB2 ASP 6 HB1 ASP 6 5.831 1.025 -2.208 44 HB3 ASP 6 HB2 ASP 6 7.227 0.938 -3.280 45 HA PRO 7 HA PRO 7 10.392 -2.282 -1.963 46 HB2 PRO 7 HB1 PRO 7 11.977 -1.170 -3.866 47 HB3 PRO 7 HB2 PRO 7 11.074 -2.667 -4.123 48 HG2 PRO 7 HG1 PRO 7 10.398 0.122 -4.973 49 HG3 PRO 7 HG2 PRO 7 10.255 -1.392 -5.885 50 HD2 PRO 7 HD1 PRO 7 8.136 -0.208 -4.685 51 HD3 PRO 7 HD2 PRO 7 8.273 -1.969 -4.858 52 H PHE 8 H PHE 8 9.584 1.020 -2.834 53 HA PHE 8 HA PHE 8 11.830 2.202 -1.509 54 HB2 PHE 8 HB1 PHE 8 9.223 3.487 -2.346 55 HB3 PHE 8 HB2 PHE 8 10.714 4.327 -1.930 56 HD1 PHE 8 HD2 PHE 8 12.758 3.903 -3.389 57 HD2 PHE 8 HD1 PHE 8 8.804 2.822 -4.533 58 HE1 PHE 8 HE2 PHE 8 13.469 3.806 -5.743 59 HE2 PHE 8 HE1 PHE 8 9.508 2.721 -6.887 60 HZ PHE 8 HZ PHE 8 11.843 3.214 -7.496 61 H GLY 9 H GLY 9 8.735 1.062 -0.533 62 HA2 GLY 9 HA1 GLY 9 8.478 0.648 1.871 63 HA3 GLY 9 HA2 GLY 9 9.185 2.235 2.142 64 H SER 10 H SER 10 7.473 3.063 -0.320 65 HA SER 10 HA SER 10 5.446 4.354 1.088 66 HB2 SER 10 HB1 SER 10 5.910 3.757 -1.810 67 HB3 SER 10 HB2 SER 10 4.365 4.444 -1.311 68 HG SER 10 HG SER 10 5.731 6.070 -0.192 69 H THR 11 H THR 11 3.524 3.746 1.839 70 HA THR 11 HA THR 11 2.611 1.025 1.279 71 HB THR 11 HB THR 11 1.366 2.882 3.293 72 HG1 THR 11 HG1 THR 11 3.827 2.445 3.419 73 HG21 THR 11 HG21 THR 11 1.587 0.171 4.129 74 HG22 THR 11 HG22 THR 11 0.948 0.190 2.485 75 HG23 THR 11 HG23 THR 11 0.129 1.092 3.760 76 H LEU 12 H LEU 12 1.075 0.681 -0.174 77 HA LEU 12 HA LEU 12 -0.877 2.827 -0.695 78 HB2 LEU 12 HB1 LEU 12 0.906 2.103 -2.491 79 HB3 LEU 12 HB2 LEU 12 -0.230 0.783 -2.764 80 HG LEU 12 HG LEU 12 -1.053 3.674 -2.898 81 HD11 LEU 12 HD11 LEU 12 -0.681 2.249 -5.426 82 HD12 LEU 12 HD12 LEU 12 0.817 2.606 -4.566 83 HD13 LEU 12 HD13 LEU 12 -0.290 3.912 -4.989 84 HD21 LEU 12 HD21 LEU 12 -2.622 2.262 -4.602 85 HD22 LEU 12 HD22 LEU 12 -3.037 2.619 -2.925 86 HD23 LEU 12 HD23 LEU 12 -2.320 1.063 -3.345 87 H CYS 13 H CYS 13 -2.821 2.291 0.022 88 HA CYS 13 HA CYS 13 -3.612 -0.546 -0.023 89 HB2 CYS 13 HB1 CYS 13 -4.195 1.689 1.875 90 HB3 CYS 13 HB2 CYS 13 -5.391 0.411 1.677 91 H ALA 14 H ALA 14 -5.676 -1.109 -0.748 92 HA ALA 14 HA ALA 14 -6.898 0.880 -2.529 93 HB1 ALA 14 HB1 ALA 14 -6.249 -1.852 -2.852 94 HB2 ALA 14 HB2 ALA 14 -8.007 -1.716 -2.906 95 HB3 ALA 14 HB3 ALA 14 -7.014 -0.765 -4.010 96 HA PRO 15 HA PRO 15 -10.620 1.183 -0.226 97 HB2 PRO 15 HB1 PRO 15 -12.511 1.237 -2.175 98 HB3 PRO 15 HB2 PRO 15 -11.410 2.584 -1.867 99 HG2 PRO 15 HG1 PRO 15 -11.248 0.445 -3.954 100 HG3 PRO 15 HG2 PRO 15 -10.946 2.185 -4.111 101 HD2 PRO 15 HD1 PRO 15 -8.946 0.375 -3.879 102 HD3 PRO 15 HD2 PRO 15 -8.821 2.022 -3.231 103 H ASP 16 H ASP 16 -10.039 -1.548 -2.193 104 HA ASP 16 HA ASP 16 -12.468 -2.957 -1.605 105 HB2 ASP 16 HB1 ASP 16 -9.861 -3.663 -2.904 106 HB3 ASP 16 HB2 ASP 16 -10.962 -4.948 -2.414 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -9.044 -2.862 -1.096 2 HA2 GLY 1 HA1 GLY 1 -9.077 -3.120 1.330 3 HA3 GLY 1 HA2 GLY 1 -9.930 -4.639 1.090 4 H ILE 2 H ILE 2 -7.457 -4.118 -1.170 5 HA ILE 2 HA ILE 2 -5.790 -6.099 0.203 6 HB ILE 2 HB ILE 2 -5.703 -5.177 -2.672 7 HG12 ILE 2 HG12 ILE 2 -6.592 -7.867 -1.643 8 HG13 ILE 2 HG11 ILE 2 -7.723 -6.535 -1.857 9 HG21 ILE 2 HG21 ILE 2 -3.629 -6.009 -2.594 10 HG22 ILE 2 HG22 ILE 2 -3.907 -6.808 -1.048 11 HG23 ILE 2 HG23 ILE 2 -4.416 -7.586 -2.546 12 HD11 ILE 2 HD11 ILE 2 -6.168 -8.026 -3.933 13 HD12 ILE 2 HD12 ILE 2 -7.910 -7.778 -3.812 14 HD13 ILE 2 HD13 ILE 2 -6.857 -6.436 -4.258 15 H CYS 3 H CYS 3 -4.098 -5.388 1.306 16 HA CYS 3 HA CYS 3 -2.935 -2.786 0.647 17 HB2 CYS 3 HB1 CYS 3 -2.988 -4.515 3.080 18 HB3 CYS 3 HB2 CYS 3 -1.626 -3.419 2.868 19 H PHE 4 H PHE 4 -1.148 -2.665 -0.522 20 HA PHE 4 HA PHE 4 0.644 -5.004 -0.600 21 HB2 PHE 4 HB1 PHE 4 1.242 -4.393 -2.862 22 HB3 PHE 4 HB2 PHE 4 -0.512 -4.494 -2.749 23 HD1 PHE 4 HD1 PHE 4 2.355 -2.223 -3.056 24 HD2 PHE 4 HD2 PHE 4 -1.887 -2.563 -3.040 25 HE1 PHE 4 HE1 PHE 4 2.173 0.058 -3.958 26 HE2 PHE 4 HE2 PHE 4 -2.077 -0.283 -3.943 27 HZ PHE 4 HZ PHE 4 -0.045 1.032 -4.402 28 H LYS 5 H LYS 5 2.909 -4.610 -0.749 29 HA LYS 5 HA LYS 5 3.697 -2.016 0.401 30 HB2 LYS 5 HB1 LYS 5 5.757 -3.338 1.157 31 HB3 LYS 5 HB2 LYS 5 4.240 -3.668 1.981 32 HG2 LYS 5 HG1 LYS 5 4.003 -5.744 0.997 33 HG3 LYS 5 HG2 LYS 5 5.065 -5.338 -0.354 34 HD2 LYS 5 HD1 LYS 5 6.269 -6.839 1.036 35 HD3 LYS 5 HD2 LYS 5 6.954 -5.237 1.314 36 HE2 LYS 5 HE2 LYS 5 6.708 -6.265 3.441 37 HE3 LYS 5 HE1 LYS 5 5.440 -5.049 3.310 38 HZ1 LYS 5 HZ1 LYS 5 5.205 -7.984 3.197 39 HZ2 LYS 5 HZ2 LYS 5 4.023 -7.009 2.481 40 HZ3 LYS 5 HZ3 LYS 5 4.333 -6.881 4.138 41 H ASP 6 H ASP 6 4.146 -0.853 -1.426 42 HA ASP 6 HA ASP 6 5.404 -1.764 -3.736 43 HB2 ASP 6 HB1 ASP 6 6.103 0.723 -3.952 44 HB3 ASP 6 HB2 ASP 6 4.386 0.329 -3.932 45 HA PRO 7 HA PRO 7 9.661 -2.245 -2.797 46 HB2 PRO 7 HB1 PRO 7 10.845 -1.313 -5.056 47 HB3 PRO 7 HB2 PRO 7 9.969 -2.848 -4.993 48 HG2 PRO 7 HG1 PRO 7 9.047 -0.180 -5.991 49 HG3 PRO 7 HG2 PRO 7 8.805 -1.785 -6.702 50 HD2 PRO 7 HD1 PRO 7 6.885 -0.522 -5.271 51 HD3 PRO 7 HD2 PRO 7 7.058 -2.289 -5.286 52 H PHE 8 H PHE 8 8.364 0.869 -3.399 53 HA PHE 8 HA PHE 8 10.776 2.358 -2.979 54 HB2 PHE 8 HB1 PHE 8 7.860 3.080 -3.116 55 HB3 PHE 8 HB2 PHE 8 9.066 4.269 -2.635 56 HD1 PHE 8 HD2 PHE 8 11.097 4.525 -4.258 57 HD2 PHE 8 HD1 PHE 8 7.340 2.845 -5.344 58 HE1 PHE 8 HE2 PHE 8 11.572 5.002 -6.625 59 HE2 PHE 8 HE1 PHE 8 7.809 3.319 -7.712 60 HZ PHE 8 HZ PHE 8 9.926 4.400 -8.356 61 H GLY 9 H GLY 9 8.417 0.883 -0.954 62 HA2 GLY 9 HA1 GLY 9 8.707 0.509 1.351 63 HA3 GLY 9 HA2 GLY 9 9.863 1.832 1.398 64 H SER 10 H SER 10 6.883 2.398 -0.226 65 HA SER 10 HA SER 10 6.092 4.216 1.930 66 HB2 SER 10 HB1 SER 10 5.030 4.063 -0.900 67 HB3 SER 10 HB2 SER 10 4.720 5.342 0.273 68 HG SER 10 HG SER 10 6.381 5.870 -1.246 69 H THR 11 H THR 11 3.930 4.302 2.679 70 HA THR 11 HA THR 11 2.641 1.691 2.710 71 HB THR 11 HB THR 11 1.692 4.101 4.241 72 HG1 THR 11 HG1 THR 11 3.136 3.436 5.903 73 HG21 THR 11 HG21 THR 11 0.226 2.608 5.011 74 HG22 THR 11 HG22 THR 11 1.570 1.734 5.746 75 HG23 THR 11 HG23 THR 11 1.021 1.307 4.125 76 H LEU 12 H LEU 12 1.190 1.261 1.185 77 HA LEU 12 HA LEU 12 -0.822 3.296 0.550 78 HB2 LEU 12 HB1 LEU 12 0.989 1.875 -1.341 79 HB3 LEU 12 HB2 LEU 12 -0.656 2.243 -1.855 80 HG LEU 12 HG LEU 12 1.115 4.407 -0.782 81 HD11 LEU 12 HD11 LEU 12 1.070 4.276 -3.669 82 HD12 LEU 12 HD12 LEU 12 1.837 2.853 -2.966 83 HD13 LEU 12 HD13 LEU 12 2.435 4.463 -2.568 84 HD21 LEU 12 HD21 LEU 12 -1.291 4.247 -2.574 85 HD22 LEU 12 HD22 LEU 12 -0.286 5.693 -2.477 86 HD23 LEU 12 HD23 LEU 12 -1.116 5.096 -1.039 87 H CYS 13 H CYS 13 -2.855 2.499 0.012 88 HA CYS 13 HA CYS 13 -3.224 -0.408 0.066 89 HB2 CYS 13 HB1 CYS 13 -4.456 1.593 1.938 90 HB3 CYS 13 HB2 CYS 13 -5.309 0.106 1.538 91 H ALA 14 H ALA 14 -5.234 -1.124 -0.837 92 HA ALA 14 HA ALA 14 -6.254 0.741 -2.851 93 HB1 ALA 14 HB1 ALA 14 -6.040 -2.213 -2.657 94 HB2 ALA 14 HB2 ALA 14 -7.367 -1.544 -3.607 95 HB3 ALA 14 HB3 ALA 14 -5.699 -1.137 -4.013 96 HA PRO 15 HA PRO 15 -10.233 1.200 -1.059 97 HB2 PRO 15 HB1 PRO 15 -11.865 1.104 -3.226 98 HB3 PRO 15 HB2 PRO 15 -10.803 2.475 -2.883 99 HG2 PRO 15 HG1 PRO 15 -10.396 0.189 -4.772 100 HG3 PRO 15 HG2 PRO 15 -10.066 1.914 -5.016 101 HD2 PRO 15 HD1 PRO 15 -8.121 0.131 -4.405 102 HD3 PRO 15 HD2 PRO 15 -8.069 1.823 -3.869 103 H ASP 16 H ASP 16 -9.802 -1.540 -3.226 104 HA ASP 16 HA ASP 16 -12.178 -2.916 -2.593 105 HB2 ASP 16 HB1 ASP 16 -10.824 -4.955 -3.367 106 HB3 ASP 16 HB2 ASP 16 -11.049 -3.646 -4.526 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -9.650 -2.351 -0.418 2 HA2 GLY 1 HA1 GLY 1 -9.197 -3.324 1.644 3 HA3 GLY 1 HA2 GLY 1 -10.046 -4.770 1.115 4 H ILE 2 H ILE 2 -7.660 -3.586 -1.031 5 HA ILE 2 HA ILE 2 -5.936 -5.850 -0.331 6 HB ILE 2 HB ILE 2 -5.946 -4.136 -2.818 7 HG12 ILE 2 HG12 ILE 2 -7.944 -5.551 -2.623 8 HG13 ILE 2 HG11 ILE 2 -6.893 -6.117 -3.917 9 HG21 ILE 2 HG21 ILE 2 -4.621 -6.437 -3.441 10 HG22 ILE 2 HG22 ILE 2 -3.853 -4.908 -3.017 11 HG23 ILE 2 HG23 ILE 2 -4.089 -6.148 -1.786 12 HD11 ILE 2 HD11 ILE 2 -6.072 -7.520 -1.662 13 HD12 ILE 2 HD12 ILE 2 -7.834 -7.498 -1.580 14 HD13 ILE 2 HD13 ILE 2 -7.026 -8.130 -3.015 15 H CYS 3 H CYS 3 -4.093 -5.530 0.717 16 HA CYS 3 HA CYS 3 -2.841 -2.867 0.582 17 HB2 CYS 3 HB1 CYS 3 -3.402 -4.643 2.913 18 HB3 CYS 3 HB2 CYS 3 -1.930 -3.677 2.940 19 H PHE 4 H PHE 4 -0.820 -2.830 -0.146 20 HA PHE 4 HA PHE 4 0.890 -5.175 0.193 21 HB2 PHE 4 HB1 PHE 4 1.622 -4.942 -2.223 22 HB3 PHE 4 HB2 PHE 4 0.009 -5.603 -1.977 23 HD1 PHE 4 HD1 PHE 4 1.874 -2.555 -2.910 24 HD2 PHE 4 HD2 PHE 4 -1.894 -4.534 -2.854 25 HE1 PHE 4 HE1 PHE 4 0.944 -0.818 -4.384 26 HE2 PHE 4 HE2 PHE 4 -2.829 -2.802 -4.329 27 HZ PHE 4 HZ PHE 4 -1.411 -0.940 -5.095 28 H LYS 5 H LYS 5 3.075 -4.723 0.284 29 HA LYS 5 HA LYS 5 3.735 -1.945 0.794 30 HB2 LYS 5 HB1 LYS 5 5.044 -4.579 1.299 31 HB3 LYS 5 HB2 LYS 5 6.059 -3.144 1.237 32 HG2 LYS 5 HG1 LYS 5 4.507 -2.129 2.952 33 HG3 LYS 5 HG2 LYS 5 3.807 -3.740 3.133 34 HD2 LYS 5 HD1 LYS 5 5.400 -3.761 4.793 35 HD3 LYS 5 HD2 LYS 5 6.306 -4.459 3.449 36 HE2 LYS 5 HE2 LYS 5 7.798 -2.888 4.207 37 HE3 LYS 5 HE1 LYS 5 6.939 -1.961 2.979 38 HZ1 LYS 5 HZ1 LYS 5 6.966 -1.639 5.855 39 HZ2 LYS 5 HZ2 LYS 5 5.438 -1.495 5.142 40 HZ3 LYS 5 HZ3 LYS 5 6.705 -0.492 4.638 41 H ASP 6 H ASP 6 4.133 -0.739 -0.953 42 HA ASP 6 HA ASP 6 5.054 -1.678 -3.429 43 HB2 ASP 6 HB1 ASP 6 4.752 0.995 -2.155 44 HB3 ASP 6 HB2 ASP 6 5.771 0.889 -3.589 45 HA PRO 7 HA PRO 7 9.409 -2.046 -3.072 46 HB2 PRO 7 HB1 PRO 7 10.282 -1.009 -5.424 47 HB3 PRO 7 HB2 PRO 7 9.455 -2.567 -5.308 48 HG2 PRO 7 HG1 PRO 7 8.359 0.107 -6.089 49 HG3 PRO 7 HG2 PRO 7 8.064 -1.480 -6.823 50 HD2 PRO 7 HD1 PRO 7 6.310 -0.314 -5.121 51 HD3 PRO 7 HD2 PRO 7 6.518 -2.075 -5.220 52 H PHE 8 H PHE 8 8.000 1.071 -3.479 53 HA PHE 8 HA PHE 8 10.420 2.585 -3.258 54 HB2 PHE 8 HB1 PHE 8 7.585 3.495 -2.725 55 HB3 PHE 8 HB2 PHE 8 8.976 4.520 -3.064 56 HD1 PHE 8 HD2 PHE 8 10.233 3.227 -5.329 57 HD2 PHE 8 HD1 PHE 8 6.100 3.767 -4.463 58 HE1 PHE 8 HE2 PHE 8 9.719 3.127 -7.733 59 HE2 PHE 8 HE1 PHE 8 5.581 3.667 -6.866 60 HZ PHE 8 HZ PHE 8 7.392 3.348 -8.504 61 H GLY 9 H GLY 9 8.294 1.033 -1.042 62 HA2 GLY 9 HA1 GLY 9 9.125 0.613 1.198 63 HA3 GLY 9 HA2 GLY 9 9.811 2.231 1.187 64 H SER 10 H SER 10 7.491 3.525 0.080 65 HA SER 10 HA SER 10 6.122 4.157 2.440 66 HB2 SER 10 HB1 SER 10 6.323 5.552 0.306 67 HB3 SER 10 HB2 SER 10 4.996 4.580 -0.328 68 HG SER 10 HG SER 10 4.418 6.609 0.764 69 H THR 11 H THR 11 3.786 3.929 2.837 70 HA THR 11 HA THR 11 2.933 1.190 2.249 71 HB THR 11 HB THR 11 1.777 3.108 4.280 72 HG1 THR 11 HG1 THR 11 2.987 1.595 5.727 73 HG21 THR 11 HG21 THR 11 1.166 0.346 3.441 74 HG22 THR 11 HG22 THR 11 0.127 1.563 4.184 75 HG23 THR 11 HG23 THR 11 1.235 0.619 5.180 76 H LEU 12 H LEU 12 1.520 0.884 0.668 77 HA LEU 12 HA LEU 12 -0.477 2.985 0.139 78 HB2 LEU 12 HB1 LEU 12 1.235 1.399 -1.698 79 HB3 LEU 12 HB2 LEU 12 -0.403 1.782 -2.224 80 HG LEU 12 HG LEU 12 1.241 3.373 -3.095 81 HD11 LEU 12 HD11 LEU 12 -0.320 4.916 -1.082 82 HD12 LEU 12 HD12 LEU 12 -1.179 3.955 -2.285 83 HD13 LEU 12 HD13 LEU 12 -0.073 5.228 -2.801 84 HD21 LEU 12 HD21 LEU 12 2.606 4.705 -1.769 85 HD22 LEU 12 HD22 LEU 12 2.700 3.129 -0.981 86 HD23 LEU 12 HD23 LEU 12 1.664 4.390 -0.311 87 H CYS 13 H CYS 13 -2.576 2.376 -0.095 88 HA CYS 13 HA CYS 13 -3.180 -0.502 -0.014 89 HB2 CYS 13 HB1 CYS 13 -4.176 1.672 1.795 90 HB3 CYS 13 HB2 CYS 13 -5.200 0.281 1.453 91 H ALA 14 H ALA 14 -5.282 -1.079 -0.827 92 HA ALA 14 HA ALA 14 -6.238 0.833 -2.846 93 HB1 ALA 14 HB1 ALA 14 -5.552 -1.888 -3.018 94 HB2 ALA 14 HB2 ALA 14 -7.302 -1.798 -3.219 95 HB3 ALA 14 HB3 ALA 14 -6.243 -0.864 -4.276 96 HA PRO 15 HA PRO 15 -10.200 1.242 -1.006 97 HB2 PRO 15 HB1 PRO 15 -11.850 1.229 -3.161 98 HB3 PRO 15 HB2 PRO 15 -10.780 2.583 -2.778 99 HG2 PRO 15 HG1 PRO 15 -10.397 0.366 -4.752 100 HG3 PRO 15 HG2 PRO 15 -10.063 2.097 -4.936 101 HD2 PRO 15 HD1 PRO 15 -8.120 0.287 -4.405 102 HD3 PRO 15 HD2 PRO 15 -8.057 1.957 -3.810 103 H ASP 16 H ASP 16 -9.637 -1.486 -3.102 104 HA ASP 16 HA ASP 16 -12.005 -2.869 -2.080 105 HB2 ASP 16 HB1 ASP 16 -11.815 -4.352 -3.873 106 HB3 ASP 16 HB2 ASP 16 -11.276 -2.828 -4.571 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -9.191 -2.264 -0.437 2 HA2 GLY 1 HA1 GLY 1 -9.210 -2.986 1.867 3 HA3 GLY 1 HA2 GLY 1 -10.027 -4.454 1.351 4 H ILE 2 H ILE 2 -8.044 -4.449 -1.008 5 HA ILE 2 HA ILE 2 -6.168 -6.223 0.221 6 HB ILE 2 HB ILE 2 -6.082 -5.106 -2.582 7 HG12 ILE 2 HG12 ILE 2 -7.422 -7.620 -1.562 8 HG13 ILE 2 HG11 ILE 2 -8.255 -6.166 -2.103 9 HG21 ILE 2 HG21 ILE 2 -4.829 -7.165 -3.074 10 HG22 ILE 2 HG22 ILE 2 -4.006 -6.147 -1.894 11 HG23 ILE 2 HG23 ILE 2 -4.877 -7.586 -1.363 12 HD11 ILE 2 HD11 ILE 2 -6.785 -8.209 -3.699 13 HD12 ILE 2 HD12 ILE 2 -8.396 -7.533 -3.945 14 HD13 ILE 2 HD13 ILE 2 -6.967 -6.568 -4.316 15 H CYS 3 H CYS 3 -4.411 -5.617 1.281 16 HA CYS 3 HA CYS 3 -3.199 -3.014 0.674 17 HB2 CYS 3 HB1 CYS 3 -3.285 -4.757 3.100 18 HB3 CYS 3 HB2 CYS 3 -1.915 -3.671 2.891 19 H PHE 4 H PHE 4 -1.253 -2.859 -0.246 20 HA PHE 4 HA PHE 4 0.481 -5.231 -0.296 21 HB2 PHE 4 HB1 PHE 4 1.079 -4.592 -2.671 22 HB3 PHE 4 HB2 PHE 4 -0.539 -5.250 -2.449 23 HD1 PHE 4 HD2 PHE 4 -2.499 -3.835 -2.667 24 HD2 PHE 4 HD1 PHE 4 1.420 -2.292 -3.283 25 HE1 PHE 4 HE2 PHE 4 -3.456 -1.847 -3.757 26 HE2 PHE 4 HE1 PHE 4 0.468 -0.301 -4.374 27 HZ PHE 4 HZ PHE 4 -1.972 -0.078 -4.612 28 H LYS 5 H LYS 5 2.736 -4.772 -0.665 29 HA LYS 5 HA LYS 5 3.481 -2.127 0.362 30 HB2 LYS 5 HB1 LYS 5 5.047 -4.711 0.249 31 HB3 LYS 5 HB2 LYS 5 5.660 -3.194 0.894 32 HG2 LYS 5 HG1 LYS 5 4.031 -3.225 2.659 33 HG3 LYS 5 HG2 LYS 5 3.251 -4.648 1.966 34 HD2 LYS 5 HD1 LYS 5 6.150 -4.780 2.655 35 HD3 LYS 5 HD2 LYS 5 4.957 -4.877 3.952 36 HE2 LYS 5 HE2 LYS 5 3.839 -6.674 2.469 37 HE3 LYS 5 HE1 LYS 5 5.394 -6.733 1.641 38 HZ1 LYS 5 HZ1 LYS 5 5.232 -8.390 3.405 39 HZ2 LYS 5 HZ2 LYS 5 4.988 -7.169 4.551 40 HZ3 LYS 5 HZ3 LYS 5 6.462 -7.273 3.726 41 H ASP 6 H ASP 6 4.628 -0.716 -0.817 42 HA ASP 6 HA ASP 6 5.212 -1.403 -3.581 43 HB2 ASP 6 HB1 ASP 6 4.928 1.121 -2.026 44 HB3 ASP 6 HB2 ASP 6 5.951 1.158 -3.460 45 HA PRO 7 HA PRO 7 9.559 -1.851 -3.222 46 HB2 PRO 7 HB1 PRO 7 10.468 -0.575 -5.439 47 HB3 PRO 7 HB2 PRO 7 9.625 -2.128 -5.502 48 HG2 PRO 7 HG1 PRO 7 8.561 0.627 -5.998 49 HG3 PRO 7 HG2 PRO 7 8.261 -0.868 -6.903 50 HD2 PRO 7 HD1 PRO 7 6.499 0.124 -5.101 51 HD3 PRO 7 HD2 PRO 7 6.692 -1.618 -5.389 52 H PHE 8 H PHE 8 8.200 1.322 -3.356 53 HA PHE 8 HA PHE 8 10.659 2.727 -2.862 54 HB2 PHE 8 HB1 PHE 8 7.761 3.572 -2.751 55 HB3 PHE 8 HB2 PHE 8 9.098 4.666 -2.409 56 HD1 PHE 8 HD1 PHE 8 7.634 2.495 -5.027 57 HD2 PHE 8 HD2 PHE 8 10.253 5.731 -4.142 58 HE1 PHE 8 HE1 PHE 8 7.844 2.978 -7.430 59 HE2 PHE 8 HE2 PHE 8 10.466 6.221 -6.543 60 HZ PHE 8 HZ PHE 8 9.260 4.844 -8.191 61 H GLY 9 H GLY 9 8.296 1.107 -0.958 62 HA2 GLY 9 HA1 GLY 9 8.833 0.485 1.302 63 HA3 GLY 9 HA2 GLY 9 9.698 2.006 1.471 64 H SER 10 H SER 10 7.347 3.319 0.028 65 HA SER 10 HA SER 10 6.007 4.216 2.343 66 HB2 SER 10 HB1 SER 10 4.373 5.182 0.563 67 HB3 SER 10 HB2 SER 10 6.036 5.769 0.595 68 HG SER 10 HG SER 10 5.062 5.073 -1.513 69 H THR 11 H THR 11 3.757 4.013 2.875 70 HA THR 11 HA THR 11 2.777 1.304 2.411 71 HB THR 11 HB THR 11 1.731 3.421 4.301 72 HG1 THR 11 HG1 THR 11 3.378 2.828 5.477 73 HG21 THR 11 HG21 THR 11 0.880 1.138 5.364 74 HG22 THR 11 HG22 THR 11 0.926 0.629 3.677 75 HG23 THR 11 HG23 THR 11 -0.061 2.010 4.154 76 H LEU 12 H LEU 12 1.490 1.000 0.719 77 HA LEU 12 HA LEU 12 -0.618 2.984 0.194 78 HB2 LEU 12 HB1 LEU 12 1.423 2.841 -1.442 79 HB3 LEU 12 HB2 LEU 12 0.580 1.414 -2.042 80 HG LEU 12 HG LEU 12 -0.684 4.146 -1.907 81 HD11 LEU 12 HD11 LEU 12 -0.190 3.497 -4.567 82 HD12 LEU 12 HD12 LEU 12 1.317 3.140 -3.724 83 HD13 LEU 12 HD13 LEU 12 0.602 4.749 -3.612 84 HD21 LEU 12 HD21 LEU 12 -1.996 2.891 -3.829 85 HD22 LEU 12 HD22 LEU 12 -2.443 2.710 -2.133 86 HD23 LEU 12 HD23 LEU 12 -1.474 1.469 -2.927 87 H CYS 13 H CYS 13 -2.567 2.124 0.395 88 HA CYS 13 HA CYS 13 -2.881 -0.771 -0.051 89 HB2 CYS 13 HB1 CYS 13 -4.252 1.115 1.854 90 HB3 CYS 13 HB2 CYS 13 -4.965 -0.436 1.425 91 H ALA 14 H ALA 14 -4.759 -1.516 -1.111 92 HA ALA 14 HA ALA 14 -5.703 0.271 -3.167 93 HB1 ALA 14 HB1 ALA 14 -7.041 -2.307 -3.018 94 HB2 ALA 14 HB2 ALA 14 -6.102 -1.591 -4.329 95 HB3 ALA 14 HB3 ALA 14 -5.283 -2.446 -3.022 96 HA PRO 15 HA PRO 15 -9.572 1.477 -1.486 97 HB2 PRO 15 HB1 PRO 15 -11.214 1.347 -3.644 98 HB3 PRO 15 HB2 PRO 15 -9.972 2.592 -3.455 99 HG2 PRO 15 HG1 PRO 15 -9.890 0.064 -5.055 100 HG3 PRO 15 HG2 PRO 15 -9.330 1.686 -5.498 101 HD2 PRO 15 HD1 PRO 15 -7.643 -0.259 -4.658 102 HD3 PRO 15 HD2 PRO 15 -7.358 1.462 -4.326 103 H ASP 16 H ASP 16 -9.336 -1.608 -3.067 104 HA ASP 16 HA ASP 16 -11.922 -2.592 -2.523 105 HB2 ASP 16 HB1 ASP 16 -9.275 -3.958 -2.996 106 HB3 ASP 16 HB2 ASP 16 -10.761 -4.862 -2.717 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -9.395 -2.409 -0.585 2 HA2 GLY 1 HA1 GLY 1 -9.596 -3.109 1.725 3 HA3 GLY 1 HA2 GLY 1 -10.270 -4.626 1.151 4 H ILE 2 H ILE 2 -8.090 -4.511 -1.021 5 HA ILE 2 HA ILE 2 -6.225 -6.159 0.386 6 HB ILE 2 HB ILE 2 -4.980 -6.168 -1.795 7 HG12 ILE 2 HG12 ILE 2 -7.375 -4.705 -2.895 8 HG13 ILE 2 HG11 ILE 2 -5.901 -3.861 -2.431 9 HG21 ILE 2 HG21 ILE 2 -6.249 -7.997 -1.923 10 HG22 ILE 2 HG22 ILE 2 -7.648 -7.174 -1.237 11 HG23 ILE 2 HG23 ILE 2 -7.313 -7.050 -2.964 12 HD11 ILE 2 HD11 ILE 2 -5.708 -4.202 -4.729 13 HD12 ILE 2 HD12 ILE 2 -4.699 -5.456 -4.009 14 HD13 ILE 2 HD13 ILE 2 -6.302 -5.859 -4.624 15 H CYS 3 H CYS 3 -4.030 -5.786 0.769 16 HA CYS 3 HA CYS 3 -3.154 -2.982 0.582 17 HB2 CYS 3 HB1 CYS 3 -3.237 -4.788 2.946 18 HB3 CYS 3 HB2 CYS 3 -1.843 -3.724 2.790 19 H PHE 4 H PHE 4 -1.111 -2.650 -0.115 20 HA PHE 4 HA PHE 4 0.789 -4.852 -0.181 21 HB2 PHE 4 HB1 PHE 4 1.233 -4.596 -2.581 22 HB3 PHE 4 HB2 PHE 4 -0.433 -5.088 -2.295 23 HD1 PHE 4 HD2 PHE 4 -2.268 -3.476 -2.585 24 HD2 PHE 4 HD1 PHE 4 1.754 -2.504 -3.581 25 HE1 PHE 4 HE2 PHE 4 -3.063 -1.565 -3.917 26 HE2 PHE 4 HE1 PHE 4 0.967 -0.592 -4.913 27 HZ PHE 4 HZ PHE 4 -1.444 -0.119 -5.082 28 H LYS 5 H LYS 5 2.830 -4.180 0.120 29 HA LYS 5 HA LYS 5 3.284 -1.326 0.432 30 HB2 LYS 5 HB1 LYS 5 5.373 -1.965 1.498 31 HB3 LYS 5 HB2 LYS 5 4.043 -2.891 2.180 32 HG2 LYS 5 HG1 LYS 5 4.711 -4.711 0.501 33 HG3 LYS 5 HG2 LYS 5 6.216 -3.805 0.334 34 HD2 LYS 5 HD1 LYS 5 5.242 -4.463 3.071 35 HD3 LYS 5 HD2 LYS 5 5.975 -5.745 2.105 36 HE2 LYS 5 HE2 LYS 5 8.026 -4.625 1.972 37 HE3 LYS 5 HE1 LYS 5 7.318 -3.084 2.456 38 HZ1 LYS 5 HZ1 LYS 5 8.680 -4.542 4.133 39 HZ2 LYS 5 HZ2 LYS 5 7.193 -5.319 4.344 40 HZ3 LYS 5 HZ3 LYS 5 7.330 -3.660 4.645 41 H ASP 6 H ASP 6 4.369 -0.082 -0.957 42 HA ASP 6 HA ASP 6 5.154 -1.096 -3.497 43 HB2 ASP 6 HB1 ASP 6 5.161 1.561 -2.155 44 HB3 ASP 6 HB2 ASP 6 6.223 1.351 -3.544 45 HA PRO 7 HA PRO 7 9.394 -2.072 -2.957 46 HB2 PRO 7 HB1 PRO 7 10.514 -1.112 -5.237 47 HB3 PRO 7 HB2 PRO 7 9.476 -2.543 -5.204 48 HG2 PRO 7 HG1 PRO 7 8.796 0.275 -5.953 49 HG3 PRO 7 HG2 PRO 7 8.322 -1.238 -6.746 50 HD2 PRO 7 HD1 PRO 7 6.665 0.120 -5.089 51 HD3 PRO 7 HD2 PRO 7 6.634 -1.650 -5.231 52 H PHE 8 H PHE 8 8.469 1.229 -3.389 53 HA PHE 8 HA PHE 8 11.064 2.365 -2.971 54 HB2 PHE 8 HB1 PHE 8 8.330 3.636 -2.702 55 HB3 PHE 8 HB2 PHE 8 9.864 4.498 -2.774 56 HD1 PHE 8 HD2 PHE 8 11.317 4.008 -4.897 57 HD2 PHE 8 HD1 PHE 8 7.121 3.345 -4.635 58 HE1 PHE 8 HE2 PHE 8 11.154 4.096 -7.350 59 HE2 PHE 8 HE1 PHE 8 6.951 3.431 -7.088 60 HZ PHE 8 HZ PHE 8 8.968 3.806 -8.449 61 H GLY 9 H GLY 9 8.578 1.130 -0.940 62 HA2 GLY 9 HA1 GLY 9 9.275 0.587 1.349 63 HA3 GLY 9 HA2 GLY 9 10.031 2.171 1.413 64 H SER 10 H SER 10 7.567 3.190 -0.105 65 HA SER 10 HA SER 10 6.147 4.045 2.219 66 HB2 SER 10 HB1 SER 10 4.617 5.128 0.509 67 HB3 SER 10 HB2 SER 10 6.312 5.601 0.414 68 HG SER 10 HG SER 10 5.885 5.107 -1.631 69 H THR 11 H THR 11 4.007 3.617 2.806 70 HA THR 11 HA THR 11 3.088 0.958 2.051 71 HB THR 11 HB THR 11 3.185 1.481 4.437 72 HG1 THR 11 HG1 THR 11 0.971 0.905 4.901 73 HG21 THR 11 HG21 THR 11 0.884 3.231 4.566 74 HG22 THR 11 HG22 THR 11 2.206 3.973 3.663 75 HG23 THR 11 HG23 THR 11 2.471 3.407 5.312 76 H LEU 12 H LEU 12 1.378 0.560 0.790 77 HA LEU 12 HA LEU 12 -0.508 2.743 0.235 78 HB2 LEU 12 HB1 LEU 12 1.344 2.182 -1.557 79 HB3 LEU 12 HB2 LEU 12 0.239 0.868 -1.954 80 HG LEU 12 HG LEU 12 -1.544 2.567 -2.337 81 HD11 LEU 12 HD11 LEU 12 -0.310 4.898 -2.838 82 HD12 LEU 12 HD12 LEU 12 0.637 4.346 -1.457 83 HD13 LEU 12 HD13 LEU 12 -1.112 4.527 -1.311 84 HD21 LEU 12 HD21 LEU 12 0.648 3.391 -4.136 85 HD22 LEU 12 HD22 LEU 12 -0.959 2.768 -4.511 86 HD23 LEU 12 HD23 LEU 12 0.327 1.661 -4.031 87 H CYS 13 H CYS 13 -2.625 2.118 -0.226 88 HA CYS 13 HA CYS 13 -3.252 -0.739 -0.063 89 HB2 CYS 13 HB1 CYS 13 -4.254 1.417 1.780 90 HB3 CYS 13 HB2 CYS 13 -5.210 -0.031 1.479 91 H ALA 14 H ALA 14 -5.154 -1.352 -1.088 92 HA ALA 14 HA ALA 14 -6.161 0.585 -3.019 93 HB1 ALA 14 HB1 ALA 14 -7.287 -2.109 -3.118 94 HB2 ALA 14 HB2 ALA 14 -6.508 -1.155 -4.382 95 HB3 ALA 14 HB3 ALA 14 -5.527 -2.068 -3.235 96 HA PRO 15 HA PRO 15 -10.067 1.303 -1.154 97 HB2 PRO 15 HB1 PRO 15 -11.752 1.276 -3.283 98 HB3 PRO 15 HB2 PRO 15 -10.602 2.585 -2.984 99 HG2 PRO 15 HG1 PRO 15 -10.376 0.253 -4.848 100 HG3 PRO 15 HG2 PRO 15 -9.949 1.952 -5.125 101 HD2 PRO 15 HD1 PRO 15 -8.101 0.062 -4.530 102 HD3 PRO 15 HD2 PRO 15 -7.934 1.756 -4.021 103 H ASP 16 H ASP 16 -9.719 -1.544 -3.149 104 HA ASP 16 HA ASP 16 -12.138 -2.740 -2.024 105 HB2 ASP 16 HB1 ASP 16 -11.903 -4.456 -3.678 106 HB3 ASP 16 HB2 ASP 16 -11.623 -2.914 -4.482 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -9.508 -2.720 0.082 2 HA2 GLY 1 HA1 GLY 1 -9.152 -3.869 2.189 3 HA3 GLY 1 HA2 GLY 1 -9.809 -5.318 1.445 4 H ILE 2 H ILE 2 -8.166 -4.509 -1.033 5 HA ILE 2 HA ILE 2 -5.869 -6.099 -0.332 6 HB ILE 2 HB ILE 2 -6.523 -4.710 -2.933 7 HG12 ILE 2 HG12 ILE 2 -6.848 -7.633 -2.243 8 HG13 ILE 2 HG11 ILE 2 -8.159 -6.465 -2.111 9 HG21 ILE 2 HG21 ILE 2 -4.262 -5.124 -3.098 10 HG22 ILE 2 HG22 ILE 2 -4.347 -6.569 -2.090 11 HG23 ILE 2 HG23 ILE 2 -4.941 -6.616 -3.750 12 HD11 ILE 2 HD11 ILE 2 -8.019 -6.013 -4.488 13 HD12 ILE 2 HD12 ILE 2 -6.664 -7.133 -4.635 14 HD13 ILE 2 HD13 ILE 2 -8.261 -7.735 -4.191 15 H CYS 3 H CYS 3 -3.787 -5.453 -0.090 16 HA CYS 3 HA CYS 3 -3.252 -2.561 -0.277 17 HB2 CYS 3 HB1 CYS 3 -2.624 -4.529 1.876 18 HB3 CYS 3 HB2 CYS 3 -1.470 -3.235 1.571 19 H PHE 4 H PHE 4 -0.972 -2.001 -0.622 20 HA PHE 4 HA PHE 4 0.541 -4.107 -2.009 21 HB2 PHE 4 HB1 PHE 4 0.266 -1.263 -2.999 22 HB3 PHE 4 HB2 PHE 4 1.130 -2.577 -3.791 23 HD1 PHE 4 HD2 PHE 4 -0.435 -4.749 -4.142 24 HD2 PHE 4 HD1 PHE 4 -1.771 -0.716 -3.874 25 HE1 PHE 4 HE2 PHE 4 -2.477 -5.346 -5.378 26 HE2 PHE 4 HE1 PHE 4 -3.816 -1.308 -5.108 27 HZ PHE 4 HZ PHE 4 -4.170 -3.625 -5.864 28 H LYS 5 H LYS 5 2.705 -4.119 -1.664 29 HA LYS 5 HA LYS 5 3.814 -1.938 -0.020 30 HB2 LYS 5 HB1 LYS 5 4.115 -4.914 0.237 31 HB3 LYS 5 HB2 LYS 5 5.372 -3.840 0.837 32 HG2 LYS 5 HG1 LYS 5 3.841 -2.796 2.356 33 HG3 LYS 5 HG2 LYS 5 2.483 -3.688 1.667 34 HD2 LYS 5 HD1 LYS 5 3.049 -4.814 3.665 35 HD3 LYS 5 HD2 LYS 5 3.700 -5.802 2.355 36 HE2 LYS 5 HE2 LYS 5 5.901 -4.670 2.709 37 HE3 LYS 5 HE1 LYS 5 5.210 -3.891 4.131 38 HZ1 LYS 5 HZ1 LYS 5 4.652 -6.289 4.832 39 HZ2 LYS 5 HZ2 LYS 5 6.244 -5.743 5.004 40 HZ3 LYS 5 HZ3 LYS 5 5.829 -6.739 3.702 41 H ASP 6 H ASP 6 5.128 -0.805 -1.294 42 HA ASP 6 HA ASP 6 6.626 -2.112 -3.416 43 HB2 ASP 6 HB1 ASP 6 5.981 0.707 -2.690 44 HB3 ASP 6 HB2 ASP 6 7.435 0.412 -3.639 45 HA PRO 7 HA PRO 7 10.508 -2.357 -1.392 46 HB2 PRO 7 HB1 PRO 7 12.240 -1.621 -3.349 47 HB3 PRO 7 HB2 PRO 7 11.378 -3.164 -3.360 48 HG2 PRO 7 HG1 PRO 7 10.749 -0.633 -4.829 49 HG3 PRO 7 HG2 PRO 7 10.700 -2.307 -5.412 50 HD2 PRO 7 HD1 PRO 7 8.474 -0.959 -4.664 51 HD3 PRO 7 HD2 PRO 7 8.644 -2.713 -4.453 52 H PHE 8 H PHE 8 9.516 0.661 -2.759 53 HA PHE 8 HA PHE 8 11.709 2.215 -1.772 54 HB2 PHE 8 HB1 PHE 8 9.030 2.857 -2.962 55 HB3 PHE 8 HB2 PHE 8 9.990 4.127 -2.212 56 HD1 PHE 8 HD1 PHE 8 10.041 1.541 -4.862 57 HD2 PHE 8 HD2 PHE 8 11.755 5.138 -3.364 58 HE1 PHE 8 HE1 PHE 8 11.321 1.797 -6.948 59 HE2 PHE 8 HE2 PHE 8 13.037 5.400 -5.447 60 HZ PHE 8 HZ PHE 8 12.822 3.728 -7.243 61 H GLY 9 H GLY 9 8.785 0.987 -0.437 62 HA2 GLY 9 HA1 GLY 9 8.576 0.907 1.970 63 HA3 GLY 9 HA2 GLY 9 9.331 2.492 2.038 64 H SER 10 H SER 10 7.497 3.066 -0.426 65 HA SER 10 HA SER 10 5.587 4.581 0.919 66 HB2 SER 10 HB1 SER 10 4.366 4.353 -1.423 67 HB3 SER 10 HB2 SER 10 5.854 5.285 -1.260 68 HG SER 10 HG SER 10 6.756 3.941 -2.582 69 H THR 11 H THR 11 3.611 4.189 1.723 70 HA THR 11 HA THR 11 2.675 1.422 1.714 71 HB THR 11 HB THR 11 1.623 3.756 3.321 72 HG1 THR 11 HG1 THR 11 3.288 3.433 4.572 73 HG21 THR 11 HG21 THR 11 1.056 0.820 3.271 74 HG22 THR 11 HG22 THR 11 -0.064 2.176 3.397 75 HG23 THR 11 HG23 THR 11 0.917 1.710 4.786 76 H LEU 12 H LEU 12 1.234 0.824 0.243 77 HA LEU 12 HA LEU 12 -0.748 2.804 -0.672 78 HB2 LEU 12 HB1 LEU 12 0.871 0.797 -2.133 79 HB3 LEU 12 HB2 LEU 12 -0.787 1.045 -2.677 80 HG LEU 12 HG LEU 12 0.880 2.360 -3.947 81 HD11 LEU 12 HD11 LEU 12 -0.911 3.618 -4.312 82 HD12 LEU 12 HD12 LEU 12 -0.401 4.643 -2.970 83 HD13 LEU 12 HD13 LEU 12 -1.524 3.314 -2.685 84 HD21 LEU 12 HD21 LEU 12 2.392 2.743 -1.988 85 HD22 LEU 12 HD22 LEU 12 1.233 3.939 -1.404 86 HD23 LEU 12 HD23 LEU 12 2.051 4.182 -2.949 87 H CYS 13 H CYS 13 -2.858 2.274 -0.560 88 HA CYS 13 HA CYS 13 -3.614 -0.509 -0.075 89 HB2 CYS 13 HB1 CYS 13 -3.958 1.765 1.814 90 HB3 CYS 13 HB2 CYS 13 -5.289 0.621 1.673 91 H ALA 14 H ALA 14 -5.659 -1.056 -0.782 92 HA ALA 14 HA ALA 14 -6.983 0.983 -2.434 93 HB1 ALA 14 HB1 ALA 14 -7.188 -0.577 -4.000 94 HB2 ALA 14 HB2 ALA 14 -6.217 -1.650 -2.990 95 HB3 ALA 14 HB3 ALA 14 -7.977 -1.678 -2.872 96 HA PRO 15 HA PRO 15 -10.634 1.032 0.000 97 HB2 PRO 15 HB1 PRO 15 -12.589 1.132 -1.880 98 HB3 PRO 15 HB2 PRO 15 -11.521 2.498 -1.531 99 HG2 PRO 15 HG1 PRO 15 -11.363 0.485 -3.742 100 HG3 PRO 15 HG2 PRO 15 -11.121 2.241 -3.808 101 HD2 PRO 15 HD1 PRO 15 -9.059 0.487 -3.744 102 HD3 PRO 15 HD2 PRO 15 -8.964 2.099 -3.007 103 H ASP 16 H ASP 16 -10.111 -1.536 -2.227 104 HA ASP 16 HA ASP 16 -12.438 -3.066 -1.728 105 HB2 ASP 16 HB1 ASP 16 -9.688 -3.804 -2.724 106 HB3 ASP 16 HB2 ASP 16 -10.984 -4.985 -2.560 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -9.484 -2.656 -0.505 2 HA2 GLY 1 HA1 GLY 1 -9.321 -3.716 1.642 3 HA3 GLY 1 HA2 GLY 1 -10.047 -5.156 0.943 4 H ILE 2 H ILE 2 -7.702 -3.708 -1.042 5 HA ILE 2 HA ILE 2 -5.826 -5.864 -0.388 6 HB ILE 2 HB ILE 2 -5.853 -4.047 -2.802 7 HG12 ILE 2 HG12 ILE 2 -7.832 -5.478 -2.762 8 HG13 ILE 2 HG11 ILE 2 -6.717 -6.018 -4.012 9 HG21 ILE 2 HG21 ILE 2 -3.662 -4.801 -2.589 10 HG22 ILE 2 HG22 ILE 2 -4.163 -6.382 -1.991 11 HG23 ILE 2 HG23 ILE 2 -4.391 -5.970 -3.691 12 HD11 ILE 2 HD11 ILE 2 -6.743 -8.046 -3.143 13 HD12 ILE 2 HD12 ILE 2 -6.094 -7.414 -1.630 14 HD13 ILE 2 HD13 ILE 2 -7.838 -7.496 -1.876 15 H CYS 3 H CYS 3 -3.893 -5.489 0.501 16 HA CYS 3 HA CYS 3 -2.866 -2.734 0.534 17 HB2 CYS 3 HB1 CYS 3 -3.387 -4.561 2.838 18 HB3 CYS 3 HB2 CYS 3 -1.985 -3.500 2.915 19 H PHE 4 H PHE 4 -0.900 -2.638 -0.305 20 HA PHE 4 HA PHE 4 0.949 -4.876 0.122 21 HB2 PHE 4 HB1 PHE 4 1.708 -4.704 -2.232 22 HB3 PHE 4 HB2 PHE 4 0.030 -5.220 -2.101 23 HD1 PHE 4 HD2 PHE 4 -1.793 -3.578 -2.559 24 HD2 PHE 4 HD1 PHE 4 2.299 -2.735 -3.374 25 HE1 PHE 4 HE2 PHE 4 -2.472 -1.751 -4.058 26 HE2 PHE 4 HE1 PHE 4 1.625 -0.904 -4.875 27 HZ PHE 4 HZ PHE 4 -0.763 -0.410 -5.219 28 H LYS 5 H LYS 5 3.159 -4.323 0.077 29 HA LYS 5 HA LYS 5 3.650 -1.487 0.615 30 HB2 LYS 5 HB1 LYS 5 5.477 -3.842 1.114 31 HB3 LYS 5 HB2 LYS 5 5.684 -2.201 1.713 32 HG2 LYS 5 HG1 LYS 5 3.546 -2.485 2.980 33 HG3 LYS 5 HG2 LYS 5 3.568 -4.185 2.507 34 HD2 LYS 5 HD1 LYS 5 6.005 -3.037 3.772 35 HD3 LYS 5 HD2 LYS 5 4.608 -3.372 4.797 36 HE2 LYS 5 HE2 LYS 5 4.753 -5.635 4.490 37 HE3 LYS 5 HE1 LYS 5 5.487 -5.480 2.895 38 HZ1 LYS 5 HZ1 LYS 5 7.408 -5.916 3.885 39 HZ2 LYS 5 HZ2 LYS 5 6.742 -5.773 5.432 40 HZ3 LYS 5 HZ3 LYS 5 7.316 -4.400 4.630 41 H ASP 6 H ASP 6 4.328 -0.314 -1.046 42 HA ASP 6 HA ASP 6 5.293 -1.291 -3.469 43 HB2 ASP 6 HB1 ASP 6 5.252 1.371 -2.139 44 HB3 ASP 6 HB2 ASP 6 6.321 1.174 -3.526 45 HA PRO 7 HA PRO 7 9.551 -2.189 -2.925 46 HB2 PRO 7 HB1 PRO 7 10.655 -1.215 -5.205 47 HB3 PRO 7 HB2 PRO 7 9.643 -2.663 -5.171 48 HG2 PRO 7 HG1 PRO 7 8.914 0.140 -5.926 49 HG3 PRO 7 HG2 PRO 7 8.468 -1.383 -6.715 50 HD2 PRO 7 HD1 PRO 7 6.785 -0.051 -5.065 51 HD3 PRO 7 HD2 PRO 7 6.786 -1.822 -5.202 52 H PHE 8 H PHE 8 8.557 1.087 -3.335 53 HA PHE 8 HA PHE 8 11.143 2.260 -2.901 54 HB2 PHE 8 HB1 PHE 8 8.366 3.456 -2.806 55 HB3 PHE 8 HB2 PHE 8 9.858 4.384 -2.684 56 HD1 PHE 8 HD2 PHE 8 11.582 3.831 -4.665 57 HD2 PHE 8 HD1 PHE 8 7.353 3.384 -4.853 58 HE1 PHE 8 HE2 PHE 8 11.676 3.999 -7.117 59 HE2 PHE 8 HE1 PHE 8 7.442 3.550 -7.306 60 HZ PHE 8 HZ PHE 8 9.604 3.859 -8.442 61 H GLY 9 H GLY 9 8.612 1.036 -0.919 62 HA2 GLY 9 HA1 GLY 9 9.266 0.530 1.397 63 HA3 GLY 9 HA2 GLY 9 9.987 2.132 1.456 64 H SER 10 H SER 10 7.623 3.200 -0.082 65 HA SER 10 HA SER 10 6.100 4.007 2.175 66 HB2 SER 10 HB1 SER 10 6.520 5.180 -0.155 67 HB3 SER 10 HB2 SER 10 5.042 4.330 -0.605 68 HG SER 10 HG SER 10 3.922 5.637 0.613 69 H THR 11 H THR 11 3.795 3.718 2.468 70 HA THR 11 HA THR 11 2.955 1.002 1.727 71 HB THR 11 HB THR 11 3.036 1.389 4.126 72 HG1 THR 11 HG1 THR 11 1.342 0.062 3.354 73 HG21 THR 11 HG21 THR 11 1.539 3.029 5.192 74 HG22 THR 11 HG22 THR 11 1.070 3.622 3.598 75 HG23 THR 11 HG23 THR 11 2.734 3.806 4.155 76 H LEU 12 H LEU 12 1.102 0.620 0.624 77 HA LEU 12 HA LEU 12 -0.686 2.878 0.064 78 HB2 LEU 12 HB1 LEU 12 0.838 1.227 -1.880 79 HB3 LEU 12 HB2 LEU 12 -0.802 1.708 -2.310 80 HG LEU 12 HG LEU 12 1.417 3.621 -1.591 81 HD11 LEU 12 HD11 LEU 12 1.892 3.910 -3.805 82 HD12 LEU 12 HD12 LEU 12 0.295 3.380 -4.333 83 HD13 LEU 12 HD13 LEU 12 1.488 2.192 -3.804 84 HD21 LEU 12 HD21 LEU 12 -1.423 3.913 -1.826 85 HD22 LEU 12 HD22 LEU 12 -0.619 4.843 -3.091 86 HD23 LEU 12 HD23 LEU 12 -0.209 5.117 -1.396 87 H CYS 13 H CYS 13 -2.819 2.372 -0.034 88 HA CYS 13 HA CYS 13 -3.545 -0.479 0.093 89 HB2 CYS 13 HB1 CYS 13 -4.361 1.775 1.886 90 HB3 CYS 13 HB2 CYS 13 -5.496 0.462 1.587 91 H ALA 14 H ALA 14 -5.528 -1.057 -0.832 92 HA ALA 14 HA ALA 14 -6.573 0.922 -2.736 93 HB1 ALA 14 HB1 ALA 14 -7.557 -1.713 -3.243 94 HB2 ALA 14 HB2 ALA 14 -6.517 -0.703 -4.246 95 HB3 ALA 14 HB3 ALA 14 -5.806 -1.771 -3.037 96 HA PRO 15 HA PRO 15 -10.533 1.104 -0.855 97 HB2 PRO 15 HB1 PRO 15 -12.197 1.145 -2.999 98 HB3 PRO 15 HB2 PRO 15 -11.170 2.513 -2.553 99 HG2 PRO 15 HG1 PRO 15 -10.727 0.413 -4.640 100 HG3 PRO 15 HG2 PRO 15 -10.452 2.161 -4.738 101 HD2 PRO 15 HD1 PRO 15 -8.447 0.393 -4.310 102 HD3 PRO 15 HD2 PRO 15 -8.434 2.032 -3.630 103 H ASP 16 H ASP 16 -9.761 -1.547 -2.920 104 HA ASP 16 HA ASP 16 -12.153 -3.035 -2.675 105 HB2 ASP 16 HB1 ASP 16 -10.069 -3.349 -4.250 106 HB3 ASP 16 HB2 ASP 16 -9.497 -4.386 -2.947 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -9.290 -2.469 -0.115 2 HA2 GLY 1 HA1 GLY 1 -8.775 -3.662 1.942 3 HA3 GLY 1 HA2 GLY 1 -9.547 -5.077 1.244 4 H ILE 2 H ILE 2 -8.137 -4.265 -1.373 5 HA ILE 2 HA ILE 2 -5.966 -6.053 -1.123 6 HB ILE 2 HB ILE 2 -6.391 -4.000 -3.295 7 HG12 ILE 2 HG12 ILE 2 -7.389 -6.850 -3.107 8 HG13 ILE 2 HG11 ILE 2 -8.386 -5.406 -2.979 9 HG21 ILE 2 HG21 ILE 2 -4.578 -4.838 -4.259 10 HG22 ILE 2 HG22 ILE 2 -4.300 -5.823 -2.824 11 HG23 ILE 2 HG23 ILE 2 -5.243 -6.468 -4.167 12 HD11 ILE 2 HD11 ILE 2 -8.659 -6.255 -5.166 13 HD12 ILE 2 HD12 ILE 2 -7.641 -4.820 -5.303 14 HD13 ILE 2 HD13 ILE 2 -6.919 -6.427 -5.391 15 H CYS 3 H CYS 3 -4.123 -5.690 -0.094 16 HA CYS 3 HA CYS 3 -2.895 -3.023 -0.307 17 HB2 CYS 3 HB1 CYS 3 -3.387 -4.700 2.117 18 HB3 CYS 3 HB2 CYS 3 -1.929 -3.715 2.057 19 H PHE 4 H PHE 4 -0.733 -2.965 -0.702 20 HA PHE 4 HA PHE 4 0.831 -5.418 -0.532 21 HB2 PHE 4 HB1 PHE 4 1.619 -5.256 -2.838 22 HB3 PHE 4 HB2 PHE 4 -0.130 -5.446 -2.802 23 HD1 PHE 4 HD2 PHE 4 -1.596 -3.632 -3.452 24 HD2 PHE 4 HD1 PHE 4 2.637 -3.196 -3.572 25 HE1 PHE 4 HE2 PHE 4 -1.846 -1.616 -4.840 26 HE2 PHE 4 HE1 PHE 4 2.393 -1.179 -4.959 27 HZ PHE 4 HZ PHE 4 0.151 -0.386 -5.595 28 H LYS 5 H LYS 5 2.954 -5.070 -0.102 29 HA LYS 5 HA LYS 5 3.734 -2.353 0.526 30 HB2 LYS 5 HB1 LYS 5 4.198 -4.513 1.907 31 HB3 LYS 5 HB2 LYS 5 5.535 -4.740 0.788 32 HG2 LYS 5 HG1 LYS 5 6.056 -2.238 1.460 33 HG3 LYS 5 HG2 LYS 5 5.155 -2.698 2.906 34 HD2 LYS 5 HD1 LYS 5 7.327 -3.238 3.493 35 HD3 LYS 5 HD2 LYS 5 6.712 -4.780 2.895 36 HE2 LYS 5 HE2 LYS 5 8.752 -4.633 1.826 37 HE3 LYS 5 HE1 LYS 5 7.657 -3.968 0.614 38 HZ1 LYS 5 HZ1 LYS 5 8.320 -1.772 1.980 39 HZ2 LYS 5 HZ2 LYS 5 9.135 -2.299 0.596 40 HZ3 LYS 5 HZ3 LYS 5 9.751 -2.661 2.128 41 H ASP 6 H ASP 6 4.825 -1.069 -0.796 42 HA ASP 6 HA ASP 6 5.966 -2.157 -3.239 43 HB2 ASP 6 HB1 ASP 6 6.362 0.324 -3.730 44 HB3 ASP 6 HB2 ASP 6 4.687 -0.211 -3.623 45 HA PRO 7 HA PRO 7 10.179 -2.063 -2.022 46 HB2 PRO 7 HB1 PRO 7 11.397 -1.268 -4.314 47 HB3 PRO 7 HB2 PRO 7 10.686 -2.874 -4.111 48 HG2 PRO 7 HG1 PRO 7 9.553 -0.458 -5.467 49 HG3 PRO 7 HG2 PRO 7 9.526 -2.152 -5.992 50 HD2 PRO 7 HD1 PRO 7 7.398 -0.956 -4.821 51 HD3 PRO 7 HD2 PRO 7 7.757 -2.682 -4.613 52 H PHE 8 H PHE 8 8.614 0.800 -3.088 53 HA PHE 8 HA PHE 8 10.822 2.586 -2.720 54 HB2 PHE 8 HB1 PHE 8 7.846 3.082 -2.924 55 HB3 PHE 8 HB2 PHE 8 9.054 4.359 -2.842 56 HD1 PHE 8 HD2 PHE 8 11.151 3.549 -4.589 57 HD2 PHE 8 HD1 PHE 8 6.954 2.996 -5.033 58 HE1 PHE 8 HE2 PHE 8 11.426 3.445 -7.032 59 HE2 PHE 8 HE1 PHE 8 7.223 2.891 -7.477 60 HZ PHE 8 HZ PHE 8 9.461 3.114 -8.479 61 H GLY 9 H GLY 9 8.504 1.102 -0.653 62 HA2 GLY 9 HA1 GLY 9 8.840 1.037 1.710 63 HA3 GLY 9 HA2 GLY 9 9.612 2.613 1.610 64 H SER 10 H SER 10 7.366 3.506 -0.212 65 HA SER 10 HA SER 10 5.776 4.725 1.772 66 HB2 SER 10 HB1 SER 10 5.542 4.501 -1.220 67 HB3 SER 10 HB2 SER 10 4.291 5.297 -0.266 68 HG SER 10 HG SER 10 5.622 6.906 0.176 69 H THR 11 H THR 11 3.540 4.467 2.219 70 HA THR 11 HA THR 11 2.686 1.678 2.086 71 HB THR 11 HB THR 11 1.330 3.922 3.582 72 HG1 THR 11 HG1 THR 11 3.317 2.110 4.536 73 HG21 THR 11 HG21 THR 11 1.107 0.946 3.527 74 HG22 THR 11 HG22 THR 11 -0.163 2.169 3.604 75 HG23 THR 11 HG23 THR 11 0.795 1.799 5.038 76 H LEU 12 H LEU 12 1.305 1.017 0.587 77 HA LEU 12 HA LEU 12 -0.659 2.936 -0.472 78 HB2 LEU 12 HB1 LEU 12 1.392 2.169 -1.949 79 HB3 LEU 12 HB2 LEU 12 0.376 0.753 -2.208 80 HG LEU 12 HG LEU 12 -0.780 3.460 -2.686 81 HD11 LEU 12 HD11 LEU 12 0.025 3.149 -5.096 82 HD12 LEU 12 HD12 LEU 12 1.243 2.072 -4.411 83 HD13 LEU 12 HD13 LEU 12 1.182 3.764 -3.913 84 HD21 LEU 12 HD21 LEU 12 -1.118 0.826 -4.113 85 HD22 LEU 12 HD22 LEU 12 -2.100 2.278 -4.307 86 HD23 LEU 12 HD23 LEU 12 -2.138 1.382 -2.787 87 H CYS 13 H CYS 13 -2.712 2.271 -0.427 88 HA CYS 13 HA CYS 13 -3.294 -0.596 -0.297 89 HB2 CYS 13 HB1 CYS 13 -4.052 1.474 1.742 90 HB3 CYS 13 HB2 CYS 13 -5.084 0.073 1.477 91 H ALA 14 H ALA 14 -5.423 -1.162 -0.945 92 HA ALA 14 HA ALA 14 -6.618 0.818 -2.738 93 HB1 ALA 14 HB1 ALA 14 -7.797 -1.828 -2.837 94 HB2 ALA 14 HB2 ALA 14 -7.044 -0.877 -4.117 95 HB3 ALA 14 HB3 ALA 14 -6.047 -1.871 -3.056 96 HA PRO 15 HA PRO 15 -10.254 1.457 -0.365 97 HB2 PRO 15 HB1 PRO 15 -12.189 1.521 -2.268 98 HB3 PRO 15 HB2 PRO 15 -11.005 2.817 -2.058 99 HG2 PRO 15 HG1 PRO 15 -11.022 0.568 -4.034 100 HG3 PRO 15 HG2 PRO 15 -10.625 2.278 -4.287 101 HD2 PRO 15 HD1 PRO 15 -8.727 0.367 -4.009 102 HD3 PRO 15 HD2 PRO 15 -8.491 2.035 -3.452 103 H ASP 16 H ASP 16 -9.994 -1.365 -2.334 104 HA ASP 16 HA ASP 16 -12.444 -2.595 -1.507 105 HB2 ASP 16 HB1 ASP 16 -9.970 -3.869 -2.697 106 HB3 ASP 16 HB2 ASP 16 -11.568 -4.603 -2.589 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -9.801 -2.721 0.454 2 HA2 GLY 1 HA1 GLY 1 -8.610 -3.747 2.138 3 HA3 GLY 1 HA2 GLY 1 -9.432 -5.246 1.732 4 H ILE 2 H ILE 2 -7.794 -3.644 -0.825 5 HA ILE 2 HA ILE 2 -5.774 -5.768 -0.823 6 HB ILE 2 HB ILE 2 -6.476 -3.845 -3.043 7 HG12 ILE 2 HG12 ILE 2 -8.373 -5.292 -2.536 8 HG13 ILE 2 HG11 ILE 2 -7.641 -5.769 -4.064 9 HG21 ILE 2 HG21 ILE 2 -4.371 -4.555 -3.600 10 HG22 ILE 2 HG22 ILE 2 -4.555 -6.101 -2.773 11 HG23 ILE 2 HG23 ILE 2 -5.339 -5.837 -4.330 12 HD11 ILE 2 HD11 ILE 2 -6.403 -7.261 -2.000 13 HD12 ILE 2 HD12 ILE 2 -8.150 -7.349 -1.776 14 HD13 ILE 2 HD13 ILE 2 -7.433 -7.832 -3.312 15 H CYS 3 H CYS 3 -3.944 -5.239 0.173 16 HA CYS 3 HA CYS 3 -2.956 -2.479 -0.025 17 HB2 CYS 3 HB1 CYS 3 -2.682 -4.642 2.001 18 HB3 CYS 3 HB2 CYS 3 -1.317 -3.547 1.800 19 H PHE 4 H PHE 4 -0.954 -2.009 -0.838 20 HA PHE 4 HA PHE 4 0.468 -4.240 -2.132 21 HB2 PHE 4 HB1 PHE 4 0.451 -1.339 -2.982 22 HB3 PHE 4 HB2 PHE 4 1.193 -2.683 -3.844 23 HD1 PHE 4 HD2 PHE 4 -0.472 -4.641 -4.446 24 HD2 PHE 4 HD1 PHE 4 -1.621 -0.620 -3.655 25 HE1 PHE 4 HE2 PHE 4 -2.564 -4.997 -5.692 26 HE2 PHE 4 HE1 PHE 4 -3.714 -0.970 -4.898 27 HZ PHE 4 HZ PHE 4 -4.188 -3.160 -5.919 28 H LYS 5 H LYS 5 2.616 -4.489 -1.795 29 HA LYS 5 HA LYS 5 3.901 -2.573 0.038 30 HB2 LYS 5 HB1 LYS 5 3.446 -5.023 0.766 31 HB3 LYS 5 HB2 LYS 5 4.789 -5.424 -0.296 32 HG2 LYS 5 HG1 LYS 5 6.238 -3.918 0.989 33 HG3 LYS 5 HG2 LYS 5 4.890 -3.562 2.070 34 HD2 LYS 5 HD1 LYS 5 6.047 -5.213 3.220 35 HD3 LYS 5 HD2 LYS 5 4.786 -6.130 2.392 36 HE2 LYS 5 HE2 LYS 5 7.386 -5.738 1.002 37 HE3 LYS 5 HE1 LYS 5 7.325 -6.881 2.343 38 HZ1 LYS 5 HZ1 LYS 5 5.108 -7.364 0.730 39 HZ2 LYS 5 HZ2 LYS 5 6.456 -8.359 0.966 40 HZ3 LYS 5 HZ3 LYS 5 6.444 -7.238 -0.301 41 H ASP 6 H ASP 6 4.938 -1.241 -1.378 42 HA ASP 6 HA ASP 6 6.469 -2.321 -3.584 43 HB2 ASP 6 HB1 ASP 6 5.704 0.399 -2.640 44 HB3 ASP 6 HB2 ASP 6 7.152 0.256 -3.633 45 HA PRO 7 HA PRO 7 10.424 -2.518 -1.700 46 HB2 PRO 7 HB1 PRO 7 12.053 -1.559 -3.648 47 HB3 PRO 7 HB2 PRO 7 11.265 -3.139 -3.746 48 HG2 PRO 7 HG1 PRO 7 10.469 -0.543 -5.007 49 HG3 PRO 7 HG2 PRO 7 10.479 -2.171 -5.709 50 HD2 PRO 7 HD1 PRO 7 8.218 -0.992 -4.798 51 HD3 PRO 7 HD2 PRO 7 8.478 -2.747 -4.722 52 H PHE 8 H PHE 8 9.269 0.542 -2.842 53 HA PHE 8 HA PHE 8 11.411 2.118 -1.780 54 HB2 PHE 8 HB1 PHE 8 8.664 2.764 -2.826 55 HB3 PHE 8 HB2 PHE 8 9.685 4.002 -2.103 56 HD1 PHE 8 HD1 PHE 8 9.252 1.740 -4.945 57 HD2 PHE 8 HD2 PHE 8 11.657 4.803 -3.227 58 HE1 PHE 8 HE1 PHE 8 10.389 2.054 -7.104 59 HE2 PHE 8 HE2 PHE 8 12.795 5.123 -5.384 60 HZ PHE 8 HZ PHE 8 12.162 3.748 -7.326 61 H GLY 9 H GLY 9 8.559 0.684 -0.497 62 HA2 GLY 9 HA1 GLY 9 8.031 0.462 1.766 63 HA3 GLY 9 HA2 GLY 9 9.224 1.697 2.142 64 H SER 10 H SER 10 6.880 2.321 -0.325 65 HA SER 10 HA SER 10 5.836 4.541 1.184 66 HB2 SER 10 HB1 SER 10 4.387 4.807 -0.925 67 HB3 SER 10 HB2 SER 10 6.130 5.003 -1.112 68 HG SER 10 HG SER 10 6.139 3.350 -2.399 69 H THR 11 H THR 11 3.520 4.918 1.458 70 HA THR 11 HA THR 11 2.181 2.462 2.314 71 HB THR 11 HB THR 11 1.107 5.213 2.845 72 HG1 THR 11 HG1 THR 11 3.100 5.518 3.654 73 HG21 THR 11 HG21 THR 11 -0.390 3.851 3.837 74 HG22 THR 11 HG22 THR 11 0.826 3.716 5.106 75 HG23 THR 11 HG23 THR 11 0.719 2.482 3.852 76 H LEU 12 H LEU 12 1.003 1.549 0.748 77 HA LEU 12 HA LEU 12 -0.942 3.240 -0.662 78 HB2 LEU 12 HB1 LEU 12 1.024 1.315 -1.817 79 HB3 LEU 12 HB2 LEU 12 -0.542 1.524 -2.598 80 HG LEU 12 HG LEU 12 1.389 3.780 -2.078 81 HD11 LEU 12 HD11 LEU 12 2.299 2.034 -3.614 82 HD12 LEU 12 HD12 LEU 12 2.083 3.621 -4.353 83 HD13 LEU 12 HD13 LEU 12 0.923 2.332 -4.676 84 HD21 LEU 12 HD21 LEU 12 -0.172 5.136 -2.903 85 HD22 LEU 12 HD22 LEU 12 -1.309 3.804 -2.696 86 HD23 LEU 12 HD23 LEU 12 -0.510 4.049 -4.249 87 H CYS 13 H CYS 13 -2.955 2.516 -0.469 88 HA CYS 13 HA CYS 13 -3.454 -0.349 -0.206 89 HB2 CYS 13 HB1 CYS 13 -4.019 1.713 1.875 90 HB3 CYS 13 HB2 CYS 13 -5.192 0.420 1.648 91 H ALA 14 H ALA 14 -5.540 -0.991 -0.819 92 HA ALA 14 HA ALA 14 -6.997 1.037 -2.371 93 HB1 ALA 14 HB1 ALA 14 -8.066 -1.210 -3.291 94 HB2 ALA 14 HB2 ALA 14 -6.543 -0.573 -3.914 95 HB3 ALA 14 HB3 ALA 14 -6.533 -1.872 -2.721 96 HA PRO 15 HA PRO 15 -10.586 0.810 0.142 97 HB2 PRO 15 HB1 PRO 15 -12.589 0.880 -1.691 98 HB3 PRO 15 HB2 PRO 15 -11.582 2.283 -1.313 99 HG2 PRO 15 HG1 PRO 15 -11.376 0.366 -3.602 100 HG3 PRO 15 HG2 PRO 15 -11.224 2.132 -3.606 101 HD2 PRO 15 HD1 PRO 15 -9.076 0.484 -3.655 102 HD3 PRO 15 HD2 PRO 15 -9.044 2.071 -2.858 103 H ASP 16 H ASP 16 -9.972 -1.650 -2.175 104 HA ASP 16 HA ASP 16 -12.110 -3.351 -1.108 105 HB2 ASP 16 HB1 ASP 16 -10.274 -3.933 -3.436 106 HB3 ASP 16 HB2 ASP 16 -11.757 -4.782 -3.009 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -9.516 -2.580 -0.169 2 HA2 GLY 1 HA1 GLY 1 -9.315 -3.366 2.128 3 HA3 GLY 1 HA2 GLY 1 -10.137 -4.837 1.629 4 H ILE 2 H ILE 2 -8.053 -3.971 -0.794 5 HA ILE 2 HA ILE 2 -6.082 -5.934 0.131 6 HB ILE 2 HB ILE 2 -6.473 -4.802 -2.642 7 HG12 ILE 2 HG12 ILE 2 -7.311 -7.470 -1.484 8 HG13 ILE 2 HG11 ILE 2 -8.395 -6.148 -1.905 9 HG21 ILE 2 HG21 ILE 2 -4.202 -5.544 -2.285 10 HG22 ILE 2 HG22 ILE 2 -4.773 -7.078 -1.633 11 HG23 ILE 2 HG23 ILE 2 -5.038 -6.690 -3.332 12 HD11 ILE 2 HD11 ILE 2 -7.115 -8.156 -3.606 13 HD12 ILE 2 HD12 ILE 2 -8.624 -7.268 -3.825 14 HD13 ILE 2 HD13 ILE 2 -7.087 -6.512 -4.245 15 H CYS 3 H CYS 3 -4.101 -5.348 0.726 16 HA CYS 3 HA CYS 3 -3.231 -2.597 0.141 17 HB2 CYS 3 HB1 CYS 3 -2.830 -4.411 2.483 18 HB3 CYS 3 HB2 CYS 3 -1.590 -3.217 2.118 19 H PHE 4 H PHE 4 -0.922 -2.260 -0.199 20 HA PHE 4 HA PHE 4 0.513 -4.612 -1.203 21 HB2 PHE 4 HB1 PHE 4 0.436 -2.009 -2.729 22 HB3 PHE 4 HB2 PHE 4 1.102 -3.551 -3.256 23 HD1 PHE 4 HD2 PHE 4 -0.620 -5.526 -3.365 24 HD2 PHE 4 HD1 PHE 4 -1.660 -1.399 -3.447 25 HE1 PHE 4 HE2 PHE 4 -2.766 -6.091 -4.427 26 HE2 PHE 4 HE1 PHE 4 -3.808 -1.958 -4.509 27 HZ PHE 4 HZ PHE 4 -4.363 -4.306 -5.001 28 H LYS 5 H LYS 5 2.850 -4.068 -1.670 29 HA LYS 5 HA LYS 5 3.856 -1.934 0.078 30 HB2 LYS 5 HB1 LYS 5 4.524 -4.857 0.182 31 HB3 LYS 5 HB2 LYS 5 5.717 -3.661 0.672 32 HG2 LYS 5 HG1 LYS 5 3.887 -2.748 2.214 33 HG3 LYS 5 HG2 LYS 5 3.062 -4.280 1.912 34 HD2 LYS 5 HD1 LYS 5 4.290 -4.654 3.872 35 HD3 LYS 5 HD2 LYS 5 5.263 -5.392 2.597 36 HE2 LYS 5 HE2 LYS 5 6.880 -4.216 3.708 37 HE3 LYS 5 HE1 LYS 5 6.375 -3.006 2.530 38 HZ1 LYS 5 HZ1 LYS 5 4.742 -2.310 4.384 39 HZ2 LYS 5 HZ2 LYS 5 6.360 -1.833 4.493 40 HZ3 LYS 5 HZ3 LYS 5 5.800 -3.135 5.414 41 H ASP 6 H ASP 6 5.047 -0.628 -1.130 42 HA ASP 6 HA ASP 6 6.296 -1.605 -3.566 43 HB2 ASP 6 HB1 ASP 6 6.660 1.204 -2.640 44 HB3 ASP 6 HB2 ASP 6 6.381 0.583 -4.265 45 HA PRO 7 HA PRO 7 10.389 -1.995 -2.039 46 HB2 PRO 7 HB1 PRO 7 11.850 -1.126 -4.157 47 HB3 PRO 7 HB2 PRO 7 10.993 -2.672 -4.150 48 HG2 PRO 7 HG1 PRO 7 10.179 -0.059 -5.364 49 HG3 PRO 7 HG2 PRO 7 10.053 -1.695 -6.038 50 HD2 PRO 7 HD1 PRO 7 7.945 -0.413 -4.923 51 HD3 PRO 7 HD2 PRO 7 8.139 -2.175 -4.846 52 H PHE 8 H PHE 8 9.182 1.083 -2.994 53 HA PHE 8 HA PHE 8 11.493 2.612 -2.275 54 HB2 PHE 8 HB1 PHE 8 8.632 3.557 -2.525 55 HB3 PHE 8 HB2 PHE 8 10.082 4.555 -2.582 56 HD1 PHE 8 HD2 PHE 8 11.627 4.365 -4.519 57 HD2 PHE 8 HD1 PHE 8 7.830 2.442 -4.443 58 HE1 PHE 8 HE2 PHE 8 11.718 4.095 -6.963 59 HE2 PHE 8 HE1 PHE 8 7.916 2.169 -6.887 60 HZ PHE 8 HZ PHE 8 9.862 2.995 -8.150 61 H GLY 9 H GLY 9 8.858 1.211 -0.563 62 HA2 GLY 9 HA1 GLY 9 9.171 0.959 1.850 63 HA3 GLY 9 HA2 GLY 9 9.740 2.622 1.877 64 H SER 10 H SER 10 7.562 3.366 -0.059 65 HA SER 10 HA SER 10 5.658 4.193 1.868 66 HB2 SER 10 HB1 SER 10 5.417 4.192 -1.150 67 HB3 SER 10 HB2 SER 10 4.420 5.120 -0.031 68 HG SER 10 HG SER 10 6.885 5.679 -1.013 69 H THR 11 H THR 11 3.582 3.505 2.273 70 HA THR 11 HA THR 11 2.984 0.772 1.399 71 HB THR 11 HB THR 11 3.021 1.206 3.834 72 HG1 THR 11 HG1 THR 11 0.401 0.632 2.864 73 HG21 THR 11 HG21 THR 11 2.124 3.572 3.586 74 HG22 THR 11 HG22 THR 11 1.452 2.615 4.906 75 HG23 THR 11 HG23 THR 11 0.528 2.843 3.421 76 H LEU 12 H LEU 12 1.285 0.288 0.141 77 HA LEU 12 HA LEU 12 -0.552 2.480 -0.566 78 HB2 LEU 12 HB1 LEU 12 1.098 1.328 -2.279 79 HB3 LEU 12 HB2 LEU 12 -0.184 0.120 -2.340 80 HG LEU 12 HG LEU 12 -1.762 1.994 -2.944 81 HD11 LEU 12 HD11 LEU 12 -0.938 4.079 -3.642 82 HD12 LEU 12 HD12 LEU 12 0.737 3.528 -3.596 83 HD13 LEU 12 HD13 LEU 12 -0.155 3.767 -2.093 84 HD21 LEU 12 HD21 LEU 12 -0.148 0.420 -4.497 85 HD22 LEU 12 HD22 LEU 12 0.189 2.037 -5.118 86 HD23 LEU 12 HD23 LEU 12 -1.468 1.430 -5.088 87 H CYS 13 H CYS 13 -2.752 2.044 -0.762 88 HA CYS 13 HA CYS 13 -3.686 -0.628 -0.023 89 HB2 CYS 13 HB1 CYS 13 -4.040 1.862 1.567 90 HB3 CYS 13 HB2 CYS 13 -5.422 0.778 1.449 91 H ALA 14 H ALA 14 -5.661 -1.180 -0.870 92 HA ALA 14 HA ALA 14 -6.755 0.702 -2.837 93 HB1 ALA 14 HB1 ALA 14 -6.131 -2.027 -2.975 94 HB2 ALA 14 HB2 ALA 14 -7.892 -1.927 -3.017 95 HB3 ALA 14 HB3 ALA 14 -6.931 -1.041 -4.200 96 HA PRO 15 HA PRO 15 -10.560 1.276 -0.729 97 HB2 PRO 15 HB1 PRO 15 -12.365 1.228 -2.757 98 HB3 PRO 15 HB2 PRO 15 -11.240 2.568 -2.504 99 HG2 PRO 15 HG1 PRO 15 -11.053 0.270 -4.415 100 HG3 PRO 15 HG2 PRO 15 -10.695 1.985 -4.689 101 HD2 PRO 15 HD1 PRO 15 -8.759 0.146 -4.234 102 HD3 PRO 15 HD2 PRO 15 -8.614 1.837 -3.708 103 H ASP 16 H ASP 16 -10.000 -1.607 -2.490 104 HA ASP 16 HA ASP 16 -12.475 -2.915 -1.956 105 HB2 ASP 16 HB1 ASP 16 -9.753 -4.034 -2.661 106 HB3 ASP 16 HB2 ASP 16 -11.239 -4.980 -2.599 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -9.515 -2.613 0.090 2 HA2 GLY 1 HA1 GLY 1 -9.133 -3.868 2.118 3 HA3 GLY 1 HA2 GLY 1 -9.862 -5.263 1.335 4 H ILE 2 H ILE 2 -8.246 -4.420 -1.148 5 HA ILE 2 HA ILE 2 -6.019 -6.145 -0.599 6 HB ILE 2 HB ILE 2 -6.498 -4.496 -3.080 7 HG12 ILE 2 HG12 ILE 2 -8.452 -5.908 -2.567 8 HG13 ILE 2 HG11 ILE 2 -7.609 -6.467 -4.007 9 HG21 ILE 2 HG21 ILE 2 -4.685 -6.762 -2.374 10 HG22 ILE 2 HG22 ILE 2 -5.239 -6.564 -4.036 11 HG23 ILE 2 HG23 ILE 2 -4.332 -5.273 -3.251 12 HD11 ILE 2 HD11 ILE 2 -6.654 -8.294 -2.834 13 HD12 ILE 2 HD12 ILE 2 -7.202 -7.662 -1.282 14 HD13 ILE 2 HD13 ILE 2 -8.376 -8.262 -2.454 15 H CYS 3 H CYS 3 -3.968 -5.618 -0.141 16 HA CYS 3 HA CYS 3 -3.222 -2.768 -0.248 17 HB2 CYS 3 HB1 CYS 3 -2.846 -4.814 1.895 18 HB3 CYS 3 HB2 CYS 3 -1.597 -3.591 1.682 19 H PHE 4 H PHE 4 -1.008 -2.293 -0.669 20 HA PHE 4 HA PHE 4 0.461 -4.497 -1.962 21 HB2 PHE 4 HB1 PHE 4 0.512 -1.614 -2.865 22 HB3 PHE 4 HB2 PHE 4 1.206 -3.007 -3.688 23 HD1 PHE 4 HD2 PHE 4 -0.523 -4.894 -4.303 24 HD2 PHE 4 HD1 PHE 4 -1.525 -0.823 -3.567 25 HE1 PHE 4 HE2 PHE 4 -2.608 -5.180 -5.578 26 HE2 PHE 4 HE1 PHE 4 -3.611 -1.103 -4.840 27 HZ PHE 4 HZ PHE 4 -4.155 -3.283 -5.847 28 H LYS 5 H LYS 5 2.725 -4.456 -1.817 29 HA LYS 5 HA LYS 5 3.788 -2.638 0.246 30 HB2 LYS 5 HB1 LYS 5 5.405 -4.501 0.764 31 HB3 LYS 5 HB2 LYS 5 3.729 -4.827 1.186 32 HG2 LYS 5 HG1 LYS 5 4.142 -5.740 -1.463 33 HG3 LYS 5 HG2 LYS 5 5.473 -6.334 -0.468 34 HD2 LYS 5 HD1 LYS 5 2.837 -6.556 0.793 35 HD3 LYS 5 HD2 LYS 5 3.018 -7.513 -0.678 36 HE2 LYS 5 HE2 LYS 5 4.941 -7.565 1.644 37 HE3 LYS 5 HE1 LYS 5 3.637 -8.728 1.404 38 HZ1 LYS 5 HZ1 LYS 5 4.821 -9.828 -0.107 39 HZ2 LYS 5 HZ2 LYS 5 6.164 -8.957 0.438 40 HZ3 LYS 5 HZ3 LYS 5 5.298 -8.419 -0.912 41 H ASP 6 H ASP 6 4.756 -1.110 -0.998 42 HA ASP 6 HA ASP 6 6.404 -1.870 -3.260 43 HB2 ASP 6 HB1 ASP 6 4.877 0.239 -3.023 44 HB3 ASP 6 HB2 ASP 6 6.256 0.916 -2.161 45 HA PRO 7 HA PRO 7 10.157 -2.139 -0.957 46 HB2 PRO 7 HB1 PRO 7 11.892 -1.928 -3.033 47 HB3 PRO 7 HB2 PRO 7 10.955 -3.391 -2.709 48 HG2 PRO 7 HG1 PRO 7 10.429 -1.202 -4.683 49 HG3 PRO 7 HG2 PRO 7 10.288 -2.956 -4.895 50 HD2 PRO 7 HD1 PRO 7 8.143 -1.368 -4.441 51 HD3 PRO 7 HD2 PRO 7 8.229 -3.043 -3.862 52 H PHE 8 H PHE 8 9.122 0.599 -2.685 53 HA PHE 8 HA PHE 8 11.443 2.230 -2.295 54 HB2 PHE 8 HB1 PHE 8 8.619 2.742 -3.170 55 HB3 PHE 8 HB2 PHE 8 9.679 4.092 -2.779 56 HD1 PHE 8 HD2 PHE 8 12.246 3.279 -3.824 57 HD2 PHE 8 HD1 PHE 8 8.355 2.713 -5.456 58 HE1 PHE 8 HE2 PHE 8 13.212 3.177 -6.085 59 HE2 PHE 8 HE1 PHE 8 9.316 2.610 -7.719 60 HZ PHE 8 HZ PHE 8 11.748 2.841 -8.035 61 H GLY 9 H GLY 9 8.748 1.311 -0.364 62 HA2 GLY 9 HA1 GLY 9 9.038 1.651 2.052 63 HA3 GLY 9 HA2 GLY 9 9.582 3.279 1.677 64 H SER 10 H SER 10 7.520 3.710 -0.345 65 HA SER 10 HA SER 10 5.501 4.756 1.355 66 HB2 SER 10 HB1 SER 10 5.235 4.397 -1.629 67 HB3 SER 10 HB2 SER 10 4.508 5.639 -0.610 68 HG SER 10 HG SER 10 6.195 6.694 -1.400 69 H THR 11 H THR 11 3.746 3.810 2.141 70 HA THR 11 HA THR 11 3.047 1.131 1.251 71 HB THR 11 HB THR 11 1.734 2.695 3.472 72 HG1 THR 11 HG1 THR 11 4.064 2.479 3.741 73 HG21 THR 11 HG21 THR 11 0.462 0.872 3.630 74 HG22 THR 11 HG22 THR 11 1.908 -0.055 4.032 75 HG23 THR 11 HG23 THR 11 1.380 0.074 2.354 76 H LEU 12 H LEU 12 1.410 0.683 -0.072 77 HA LEU 12 HA LEU 12 -0.617 2.770 -0.537 78 HB2 LEU 12 HB1 LEU 12 0.617 0.790 -2.435 79 HB3 LEU 12 HB2 LEU 12 -0.863 1.674 -2.806 80 HG LEU 12 HG LEU 12 1.819 2.945 -2.254 81 HD11 LEU 12 HD11 LEU 12 0.744 1.723 -4.627 82 HD12 LEU 12 HD12 LEU 12 2.337 2.425 -4.347 83 HD13 LEU 12 HD13 LEU 12 1.003 3.451 -4.875 84 HD21 LEU 12 HD21 LEU 12 0.512 4.873 -3.432 85 HD22 LEU 12 HD22 LEU 12 0.296 4.581 -1.706 86 HD23 LEU 12 HD23 LEU 12 -0.908 3.999 -2.856 87 H CYS 13 H CYS 13 -2.743 2.205 -0.511 88 HA CYS 13 HA CYS 13 -3.460 -0.621 -0.305 89 HB2 CYS 13 HB1 CYS 13 -3.865 1.451 1.819 90 HB3 CYS 13 HB2 CYS 13 -5.066 0.179 1.619 91 H ALA 14 H ALA 14 -5.522 -1.107 -1.008 92 HA ALA 14 HA ALA 14 -6.872 1.058 -2.451 93 HB1 ALA 14 HB1 ALA 14 -8.157 -1.086 -3.346 94 HB2 ALA 14 HB2 ALA 14 -6.600 -0.582 -4.006 95 HB3 ALA 14 HB3 ALA 14 -6.674 -1.880 -2.815 96 HA PRO 15 HA PRO 15 -10.409 1.142 0.145 97 HB2 PRO 15 HB1 PRO 15 -12.438 1.397 -1.641 98 HB3 PRO 15 HB2 PRO 15 -11.303 2.703 -1.284 99 HG2 PRO 15 HG1 PRO 15 -11.321 0.784 -3.581 100 HG3 PRO 15 HG2 PRO 15 -11.011 2.529 -3.584 101 HD2 PRO 15 HD1 PRO 15 -9.021 0.698 -3.685 102 HD3 PRO 15 HD2 PRO 15 -8.830 2.272 -2.888 103 H ASP 16 H ASP 16 -10.103 -1.340 -2.224 104 HA ASP 16 HA ASP 16 -12.457 -2.803 -1.709 105 HB2 ASP 16 HB1 ASP 16 -10.752 -3.073 -3.629 106 HB3 ASP 16 HB2 ASP 16 -9.850 -4.079 -2.499 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -9.267 -2.542 -0.429 2 HA2 GLY 1 HA1 GLY 1 -9.145 -3.402 1.827 3 HA3 GLY 1 HA2 GLY 1 -9.866 -4.895 1.243 4 H ILE 2 H ILE 2 -7.990 -4.578 -1.180 5 HA ILE 2 HA ILE 2 -5.951 -6.299 -0.178 6 HB ILE 2 HB ILE 2 -6.112 -4.898 -2.849 7 HG12 ILE 2 HG12 ILE 2 -6.935 -7.704 -2.074 8 HG13 ILE 2 HG11 ILE 2 -8.049 -6.370 -2.350 9 HG21 ILE 2 HG21 ILE 2 -4.435 -7.224 -1.921 10 HG22 ILE 2 HG22 ILE 2 -4.583 -6.694 -3.596 11 HG23 ILE 2 HG23 ILE 2 -3.859 -5.625 -2.393 12 HD11 ILE 2 HD11 ILE 2 -6.298 -7.772 -4.340 13 HD12 ILE 2 HD12 ILE 2 -8.057 -7.641 -4.320 14 HD13 ILE 2 HD13 ILE 2 -7.071 -6.223 -4.677 15 H CYS 3 H CYS 3 -4.267 -5.648 0.974 16 HA CYS 3 HA CYS 3 -3.184 -2.953 0.520 17 HB2 CYS 3 HB1 CYS 3 -3.278 -4.766 2.897 18 HB3 CYS 3 HB2 CYS 3 -1.971 -3.594 2.774 19 H PHE 4 H PHE 4 -1.237 -2.702 -0.363 20 HA PHE 4 HA PHE 4 0.725 -4.857 -0.209 21 HB2 PHE 4 HB1 PHE 4 1.180 -4.729 -2.636 22 HB3 PHE 4 HB2 PHE 4 -0.449 -5.305 -2.295 23 HD1 PHE 4 HD2 PHE 4 -2.377 -3.738 -2.565 24 HD2 PHE 4 HD1 PHE 4 1.550 -2.784 -3.901 25 HE1 PHE 4 HE2 PHE 4 -3.302 -1.981 -4.017 26 HE2 PHE 4 HE1 PHE 4 0.631 -1.024 -5.355 27 HZ PHE 4 HZ PHE 4 -1.798 -0.622 -5.416 28 H LYS 5 H LYS 5 2.641 -4.053 0.316 29 HA LYS 5 HA LYS 5 3.083 -1.233 0.432 30 HB2 LYS 5 HB1 LYS 5 4.848 -1.736 1.766 31 HB3 LYS 5 HB2 LYS 5 4.057 -3.304 1.847 32 HG2 LYS 5 HG1 LYS 5 6.270 -2.576 -0.062 33 HG3 LYS 5 HG2 LYS 5 6.470 -3.480 1.440 34 HD2 LYS 5 HD1 LYS 5 4.391 -4.683 -0.109 35 HD3 LYS 5 HD2 LYS 5 5.821 -4.474 -1.122 36 HE2 LYS 5 HE2 LYS 5 5.976 -5.666 1.631 37 HE3 LYS 5 HE1 LYS 5 5.621 -6.646 0.209 38 HZ1 LYS 5 HZ1 LYS 5 7.815 -6.810 -0.006 39 HZ2 LYS 5 HZ2 LYS 5 8.120 -5.564 1.095 40 HZ3 LYS 5 HZ3 LYS 5 7.804 -5.202 -0.527 41 H ASP 6 H ASP 6 4.766 -0.055 -0.619 42 HA ASP 6 HA ASP 6 5.104 -0.850 -3.386 43 HB2 ASP 6 HB1 ASP 6 5.335 1.653 -1.835 44 HB3 ASP 6 HB2 ASP 6 6.462 1.495 -3.179 45 HA PRO 7 HA PRO 7 9.247 -2.276 -3.209 46 HB2 PRO 7 HB1 PRO 7 10.331 -1.217 -5.462 47 HB3 PRO 7 HB2 PRO 7 9.156 -2.537 -5.491 48 HG2 PRO 7 HG1 PRO 7 8.727 0.392 -5.940 49 HG3 PRO 7 HG2 PRO 7 8.057 -0.988 -6.832 50 HD2 PRO 7 HD1 PRO 7 6.642 0.361 -4.959 51 HD3 PRO 7 HD2 PRO 7 6.422 -1.376 -5.255 52 H PHE 8 H PHE 8 8.611 1.101 -3.193 53 HA PHE 8 HA PHE 8 11.381 1.843 -2.725 54 HB2 PHE 8 HB1 PHE 8 8.837 3.475 -2.792 55 HB3 PHE 8 HB2 PHE 8 10.436 4.153 -2.507 56 HD1 PHE 8 HD2 PHE 8 12.064 4.297 -4.295 57 HD2 PHE 8 HD1 PHE 8 8.176 2.706 -4.977 58 HE1 PHE 8 HE2 PHE 8 12.406 4.513 -6.722 59 HE2 PHE 8 HE1 PHE 8 8.512 2.917 -7.405 60 HZ PHE 8 HZ PHE 8 10.629 3.822 -8.281 61 H GLY 9 H GLY 9 8.562 1.037 -0.926 62 HA2 GLY 9 HA1 GLY 9 8.891 0.401 1.401 63 HA3 GLY 9 HA2 GLY 9 9.983 1.771 1.555 64 H SER 10 H SER 10 7.182 2.380 -0.291 65 HA SER 10 HA SER 10 6.168 4.114 1.817 66 HB2 SER 10 HB1 SER 10 5.432 3.831 -1.105 67 HB3 SER 10 HB2 SER 10 4.651 4.960 0.002 68 HG SER 10 HG SER 10 6.380 6.196 -0.011 69 H THR 11 H THR 11 3.982 4.109 2.497 70 HA THR 11 HA THR 11 2.792 1.436 2.464 71 HB THR 11 HB THR 11 2.001 3.805 4.167 72 HG1 THR 11 HG1 THR 11 3.696 1.603 4.811 73 HG21 THR 11 HG21 THR 11 1.153 0.961 3.991 74 HG22 THR 11 HG22 THR 11 0.209 2.401 4.376 75 HG23 THR 11 HG23 THR 11 1.265 1.687 5.594 76 H LEU 12 H LEU 12 1.355 1.072 0.908 77 HA LEU 12 HA LEU 12 -0.709 3.101 0.413 78 HB2 LEU 12 HB1 LEU 12 1.111 1.806 -1.550 79 HB3 LEU 12 HB2 LEU 12 -0.556 2.109 -2.037 80 HG LEU 12 HG LEU 12 0.029 4.546 -1.158 81 HD11 LEU 12 HD11 LEU 12 2.249 4.114 -0.401 82 HD12 LEU 12 HD12 LEU 12 2.361 5.092 -1.864 83 HD13 LEU 12 HD13 LEU 12 2.686 3.360 -1.934 84 HD21 LEU 12 HD21 LEU 12 1.208 4.055 -3.802 85 HD22 LEU 12 HD22 LEU 12 -0.112 5.123 -3.325 86 HD23 LEU 12 HD23 LEU 12 -0.415 3.403 -3.575 87 H CYS 13 H CYS 13 -2.746 2.314 -0.040 88 HA CYS 13 HA CYS 13 -3.074 -0.609 -0.044 89 HB2 CYS 13 HB1 CYS 13 -4.324 1.409 1.778 90 HB3 CYS 13 HB2 CYS 13 -5.251 -0.016 1.321 91 H ALA 14 H ALA 14 -5.293 -1.266 -0.762 92 HA ALA 14 HA ALA 14 -6.131 0.462 -2.983 93 HB1 ALA 14 HB1 ALA 14 -6.407 -1.375 -4.228 94 HB2 ALA 14 HB2 ALA 14 -5.460 -2.190 -2.983 95 HB3 ALA 14 HB3 ALA 14 -7.221 -2.246 -2.927 96 HA PRO 15 HA PRO 15 -10.103 1.262 -1.299 97 HB2 PRO 15 HB1 PRO 15 -11.709 1.089 -3.482 98 HB3 PRO 15 HB2 PRO 15 -10.580 2.424 -3.224 99 HG2 PRO 15 HG1 PRO 15 -10.269 -0.016 -4.930 100 HG3 PRO 15 HG2 PRO 15 -9.845 1.667 -5.295 101 HD2 PRO 15 HD1 PRO 15 -8.007 -0.164 -4.520 102 HD3 PRO 15 HD2 PRO 15 -7.871 1.559 -4.110 103 H ASP 16 H ASP 16 -9.530 -1.737 -2.916 104 HA ASP 16 HA ASP 16 -12.061 -2.943 -2.423 105 HB2 ASP 16 HB1 ASP 16 -9.350 -4.169 -2.967 106 HB3 ASP 16 HB2 ASP 16 -10.859 -5.075 -2.913 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -9.431 -2.605 -0.057 2 HA2 GLY 1 HA1 GLY 1 -9.011 -3.914 1.938 3 HA3 GLY 1 HA2 GLY 1 -9.746 -5.289 1.126 4 H ILE 2 H ILE 2 -8.194 -4.349 -1.365 5 HA ILE 2 HA ILE 2 -6.005 -6.131 -1.025 6 HB ILE 2 HB ILE 2 -6.487 -4.130 -3.235 7 HG12 ILE 2 HG12 ILE 2 -7.145 -7.080 -3.150 8 HG13 ILE 2 HG11 ILE 2 -8.320 -5.798 -2.882 9 HG21 ILE 2 HG21 ILE 2 -4.178 -4.869 -3.172 10 HG22 ILE 2 HG22 ILE 2 -4.697 -6.553 -3.117 11 HG23 ILE 2 HG23 ILE 2 -5.005 -5.583 -4.556 12 HD11 ILE 2 HD11 ILE 2 -8.669 -5.670 -5.055 13 HD12 ILE 2 HD12 ILE 2 -6.973 -5.260 -5.315 14 HD13 ILE 2 HD13 ILE 2 -7.483 -6.948 -5.323 15 H CYS 3 H CYS 3 -4.188 -5.710 0.024 16 HA CYS 3 HA CYS 3 -3.143 -2.954 -0.015 17 HB2 CYS 3 HB1 CYS 3 -3.369 -4.955 2.177 18 HB3 CYS 3 HB2 CYS 3 -1.937 -3.932 2.161 19 H PHE 4 H PHE 4 -0.994 -2.639 -0.445 20 HA PHE 4 HA PHE 4 0.809 -4.888 -0.685 21 HB2 PHE 4 HB1 PHE 4 1.391 -4.254 -3.070 22 HB3 PHE 4 HB2 PHE 4 -0.160 -5.060 -2.852 23 HD1 PHE 4 HD1 PHE 4 1.490 -1.861 -3.575 24 HD2 PHE 4 HD2 PHE 4 -2.216 -3.936 -3.304 25 HE1 PHE 4 HE1 PHE 4 0.368 -0.001 -4.730 26 HE2 PHE 4 HE2 PHE 4 -3.343 -2.080 -4.461 27 HZ PHE 4 HZ PHE 4 -2.052 -0.109 -5.175 28 H LYS 5 H LYS 5 2.846 -4.302 -0.235 29 HA LYS 5 HA LYS 5 3.395 -1.431 0.048 30 HB2 LYS 5 HB1 LYS 5 4.895 -3.777 1.227 31 HB3 LYS 5 HB2 LYS 5 5.173 -2.078 1.584 32 HG2 LYS 5 HG1 LYS 5 2.467 -2.499 2.108 33 HG3 LYS 5 HG2 LYS 5 3.296 -3.915 2.756 34 HD2 LYS 5 HD1 LYS 5 4.565 -1.316 3.328 35 HD3 LYS 5 HD2 LYS 5 3.001 -1.590 4.100 36 HE2 LYS 5 HE2 LYS 5 5.236 -3.600 4.209 37 HE3 LYS 5 HE1 LYS 5 5.067 -2.308 5.397 38 HZ1 LYS 5 HZ1 LYS 5 3.899 -3.950 6.419 39 HZ2 LYS 5 HZ2 LYS 5 3.398 -4.673 4.974 40 HZ3 LYS 5 HZ3 LYS 5 2.641 -3.264 5.521 41 H ASP 6 H ASP 6 4.890 -0.440 -1.160 42 HA ASP 6 HA ASP 6 6.199 -1.954 -3.255 43 HB2 ASP 6 HB1 ASP 6 5.685 0.922 -2.697 44 HB3 ASP 6 HB2 ASP 6 7.084 0.530 -3.693 45 HA PRO 7 HA PRO 7 10.222 -2.224 -1.531 46 HB2 PRO 7 HB1 PRO 7 11.813 -1.699 -3.666 47 HB3 PRO 7 HB2 PRO 7 10.897 -3.200 -3.498 48 HG2 PRO 7 HG1 PRO 7 10.244 -0.752 -5.091 49 HG3 PRO 7 HG2 PRO 7 10.086 -2.459 -5.546 50 HD2 PRO 7 HD1 PRO 7 7.980 -0.969 -4.725 51 HD3 PRO 7 HD2 PRO 7 8.102 -2.710 -4.402 52 H PHE 8 H PHE 8 9.149 0.733 -2.897 53 HA PHE 8 HA PHE 8 11.488 2.278 -2.308 54 HB2 PHE 8 HB1 PHE 8 8.714 2.864 -3.238 55 HB3 PHE 8 HB2 PHE 8 9.652 4.181 -2.541 56 HD1 PHE 8 HD2 PHE 8 11.800 4.849 -3.593 57 HD2 PHE 8 HD1 PHE 8 9.157 2.049 -5.407 58 HE1 PHE 8 HE2 PHE 8 12.934 5.182 -5.751 59 HE2 PHE 8 HE1 PHE 8 10.286 2.377 -7.568 60 HZ PHE 8 HZ PHE 8 12.177 3.947 -7.742 61 H GLY 9 H GLY 9 8.760 1.178 -0.522 62 HA2 GLY 9 HA1 GLY 9 9.030 1.234 1.920 63 HA3 GLY 9 HA2 GLY 9 9.591 2.891 1.739 64 H SER 10 H SER 10 7.567 3.603 -0.221 65 HA SER 10 HA SER 10 5.539 4.459 1.559 66 HB2 SER 10 HB1 SER 10 5.098 4.444 -1.402 67 HB3 SER 10 HB2 SER 10 4.701 5.688 -0.217 68 HG SER 10 HG SER 10 6.802 5.603 -1.776 69 H THR 11 H THR 11 3.645 3.579 2.104 70 HA THR 11 HA THR 11 2.948 0.991 0.928 71 HB THR 11 HB THR 11 3.110 0.997 3.346 72 HG1 THR 11 HG1 THR 11 1.451 -0.295 2.422 73 HG21 THR 11 HG21 THR 11 1.983 3.560 3.142 74 HG22 THR 11 HG22 THR 11 2.448 2.707 4.614 75 HG23 THR 11 HG23 THR 11 0.799 2.578 4.003 76 H LEU 12 H LEU 12 1.186 0.683 -0.293 77 HA LEU 12 HA LEU 12 -0.790 2.862 -0.451 78 HB2 LEU 12 HB1 LEU 12 0.546 1.311 -2.637 79 HB3 LEU 12 HB2 LEU 12 -1.050 2.017 -2.885 80 HG LEU 12 HG LEU 12 0.135 4.219 -2.103 81 HD11 LEU 12 HD11 LEU 12 2.523 4.037 -3.217 82 HD12 LEU 12 HD12 LEU 12 2.381 2.364 -2.680 83 HD13 LEU 12 HD13 LEU 12 2.267 3.677 -1.509 84 HD21 LEU 12 HD21 LEU 12 -0.835 3.572 -4.372 85 HD22 LEU 12 HD22 LEU 12 0.821 3.182 -4.837 86 HD23 LEU 12 HD23 LEU 12 0.405 4.825 -4.351 87 H CYS 13 H CYS 13 -2.708 2.201 0.225 88 HA CYS 13 HA CYS 13 -3.444 -0.626 -0.156 89 HB2 CYS 13 HB1 CYS 13 -4.028 1.319 2.051 90 HB3 CYS 13 HB2 CYS 13 -5.122 -0.029 1.755 91 H ALA 14 H ALA 14 -5.404 -1.135 -1.044 92 HA ALA 14 HA ALA 14 -6.758 1.029 -2.452 93 HB1 ALA 14 HB1 ALA 14 -7.829 -1.640 -2.873 94 HB2 ALA 14 HB2 ALA 14 -7.196 -0.477 -4.038 95 HB3 ALA 14 HB3 ALA 14 -6.093 -1.546 -3.171 96 HA PRO 15 HA PRO 15 -10.350 1.203 0.062 97 HB2 PRO 15 HB1 PRO 15 -12.335 1.459 -1.773 98 HB3 PRO 15 HB2 PRO 15 -11.189 2.755 -1.411 99 HG2 PRO 15 HG1 PRO 15 -11.183 0.799 -3.677 100 HG3 PRO 15 HG2 PRO 15 -10.849 2.540 -3.701 101 HD2 PRO 15 HD1 PRO 15 -8.883 0.680 -3.729 102 HD3 PRO 15 HD2 PRO 15 -8.687 2.264 -2.952 103 H ASP 16 H ASP 16 -10.072 -1.298 -2.308 104 HA ASP 16 HA ASP 16 -12.450 -2.721 -1.733 105 HB2 ASP 16 HB1 ASP 16 -10.946 -3.020 -3.754 106 HB3 ASP 16 HB2 ASP 16 -9.859 -3.927 -2.707 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -9.391 -2.533 -0.290 2 HA2 GLY 1 HA1 GLY 1 -9.401 -3.418 1.965 3 HA3 GLY 1 HA2 GLY 1 -10.115 -4.892 1.328 4 H ILE 2 H ILE 2 -8.119 -4.573 -0.998 5 HA ILE 2 HA ILE 2 -6.085 -6.231 0.206 6 HB ILE 2 HB ILE 2 -6.293 -5.233 -2.636 7 HG12 ILE 2 HG12 ILE 2 -7.114 -7.907 -1.485 8 HG13 ILE 2 HG11 ILE 2 -8.234 -6.607 -1.877 9 HG21 ILE 2 HG21 ILE 2 -4.281 -6.743 -1.216 10 HG22 ILE 2 HG22 ILE 2 -4.941 -7.661 -2.569 11 HG23 ILE 2 HG23 ILE 2 -4.240 -6.067 -2.844 12 HD11 ILE 2 HD11 ILE 2 -7.684 -8.609 -3.542 13 HD12 ILE 2 HD12 ILE 2 -8.112 -6.990 -4.096 14 HD13 ILE 2 HD13 ILE 2 -6.419 -7.482 -4.032 15 H CYS 3 H CYS 3 -4.154 -5.593 0.906 16 HA CYS 3 HA CYS 3 -3.236 -2.888 0.181 17 HB2 CYS 3 HB1 CYS 3 -3.219 -4.389 2.752 18 HB3 CYS 3 HB2 CYS 3 -1.852 -3.331 2.421 19 H PHE 4 H PHE 4 -1.206 -2.620 -0.593 20 HA PHE 4 HA PHE 4 0.604 -4.930 -0.598 21 HB2 PHE 4 HB1 PHE 4 1.189 -4.374 -2.984 22 HB3 PHE 4 HB2 PHE 4 -0.424 -5.040 -2.756 23 HD1 PHE 4 HD2 PHE 4 -2.400 -3.622 -2.986 24 HD2 PHE 4 HD1 PHE 4 1.514 -2.126 -3.732 25 HE1 PHE 4 HE2 PHE 4 -3.367 -1.684 -4.152 26 HE2 PHE 4 HE1 PHE 4 0.553 -0.185 -4.899 27 HZ PHE 4 HZ PHE 4 -1.890 0.038 -5.112 28 H LYS 5 H LYS 5 2.723 -4.446 -0.329 29 HA LYS 5 HA LYS 5 3.366 -1.654 0.228 30 HB2 LYS 5 HB1 LYS 5 3.944 -3.294 1.938 31 HB3 LYS 5 HB2 LYS 5 4.904 -4.199 0.775 32 HG2 LYS 5 HG1 LYS 5 6.495 -2.413 0.610 33 HG3 LYS 5 HG2 LYS 5 5.488 -1.368 1.614 34 HD2 LYS 5 HD1 LYS 5 7.216 -2.214 3.010 35 HD3 LYS 5 HD2 LYS 5 5.737 -3.072 3.449 36 HE2 LYS 5 HE2 LYS 5 6.489 -4.895 1.860 37 HE3 LYS 5 HE1 LYS 5 8.046 -4.071 1.796 38 HZ1 LYS 5 HZ1 LYS 5 7.173 -4.449 4.480 39 HZ2 LYS 5 HZ2 LYS 5 8.619 -4.930 3.745 40 HZ3 LYS 5 HZ3 LYS 5 7.253 -5.924 3.655 41 H ASP 6 H ASP 6 4.694 -0.443 -0.985 42 HA ASP 6 HA ASP 6 5.610 -1.532 -3.510 43 HB2 ASP 6 HB1 ASP 6 5.298 1.193 -2.344 44 HB3 ASP 6 HB2 ASP 6 6.473 0.984 -3.639 45 HA PRO 7 HA PRO 7 9.847 -2.109 -2.541 46 HB2 PRO 7 HB1 PRO 7 11.092 -1.186 -4.770 47 HB3 PRO 7 HB2 PRO 7 10.174 -2.696 -4.738 48 HG2 PRO 7 HG1 PRO 7 9.341 0.005 -5.722 49 HG3 PRO 7 HG2 PRO 7 9.065 -1.585 -6.454 50 HD2 PRO 7 HD1 PRO 7 7.159 -0.283 -5.040 51 HD3 PRO 7 HD2 PRO 7 7.283 -2.053 -5.070 52 H PHE 8 H PHE 8 8.690 1.065 -3.232 53 HA PHE 8 HA PHE 8 11.136 2.452 -2.685 54 HB2 PHE 8 HB1 PHE 8 8.270 3.413 -2.796 55 HB3 PHE 8 HB2 PHE 8 9.665 4.472 -2.608 56 HD1 PHE 8 HD2 PHE 8 11.383 4.544 -4.446 57 HD2 PHE 8 HD1 PHE 8 7.589 2.670 -4.907 58 HE1 PHE 8 HE2 PHE 8 11.630 4.652 -6.892 59 HE2 PHE 8 HE1 PHE 8 7.831 2.775 -7.354 60 HZ PHE 8 HZ PHE 8 9.852 3.768 -8.349 61 H GLY 9 H GLY 9 8.604 1.104 -0.783 62 HA2 GLY 9 HA1 GLY 9 9.100 0.729 1.574 63 HA3 GLY 9 HA2 GLY 9 9.803 2.340 1.616 64 H SER 10 H SER 10 7.612 3.483 0.015 65 HA SER 10 HA SER 10 5.958 4.347 2.102 66 HB2 SER 10 HB1 SER 10 4.692 5.508 0.438 67 HB3 SER 10 HB2 SER 10 6.370 5.521 -0.105 68 HG SER 10 HG SER 10 5.561 4.709 -1.866 69 H THR 11 H THR 11 3.811 3.901 2.632 70 HA THR 11 HA THR 11 2.988 1.165 2.032 71 HB THR 11 HB THR 11 1.839 3.131 4.025 72 HG1 THR 11 HG1 THR 11 3.755 2.574 4.874 73 HG21 THR 11 HG21 THR 11 0.249 1.389 3.250 74 HG22 THR 11 HG22 THR 11 0.660 1.238 4.958 75 HG23 THR 11 HG23 THR 11 1.393 0.155 3.776 76 H LEU 12 H LEU 12 1.515 0.738 0.536 77 HA LEU 12 HA LEU 12 -0.432 2.835 -0.164 78 HB2 LEU 12 HB1 LEU 12 1.230 1.051 -1.854 79 HB3 LEU 12 HB2 LEU 12 -0.406 1.404 -2.406 80 HG LEU 12 HG LEU 12 0.337 3.894 -2.024 81 HD11 LEU 12 HD11 LEU 12 2.451 3.643 -1.054 82 HD12 LEU 12 HD12 LEU 12 2.782 4.067 -2.732 83 HD13 LEU 12 HD13 LEU 12 2.929 2.391 -2.202 84 HD21 LEU 12 HD21 LEU 12 0.970 2.078 -4.321 85 HD22 LEU 12 HD22 LEU 12 1.362 3.796 -4.389 86 HD23 LEU 12 HD23 LEU 12 -0.311 3.282 -4.169 87 H CYS 13 H CYS 13 -2.553 2.245 -0.442 88 HA CYS 13 HA CYS 13 -3.253 -0.585 -0.154 89 HB2 CYS 13 HB1 CYS 13 -4.172 1.664 1.628 90 HB3 CYS 13 HB2 CYS 13 -5.114 0.187 1.442 91 H ALA 14 H ALA 14 -5.336 -1.132 -0.938 92 HA ALA 14 HA ALA 14 -6.384 0.824 -2.863 93 HB1 ALA 14 HB1 ALA 14 -6.188 -2.137 -2.840 94 HB2 ALA 14 HB2 ALA 14 -7.558 -1.410 -3.678 95 HB3 ALA 14 HB3 ALA 14 -5.912 -0.992 -4.153 96 HA PRO 15 HA PRO 15 -10.256 1.213 -0.835 97 HB2 PRO 15 HB1 PRO 15 -12.004 1.245 -2.912 98 HB3 PRO 15 HB2 PRO 15 -10.912 2.588 -2.556 99 HG2 PRO 15 HG1 PRO 15 -10.629 0.404 -4.583 100 HG3 PRO 15 HG2 PRO 15 -10.296 2.137 -4.752 101 HD2 PRO 15 HD1 PRO 15 -8.339 0.312 -4.344 102 HD3 PRO 15 HD2 PRO 15 -8.240 1.971 -3.722 103 H ASP 16 H ASP 16 -9.620 -1.547 -2.777 104 HA ASP 16 HA ASP 16 -12.047 -2.947 -2.482 105 HB2 ASP 16 HB1 ASP 16 -9.224 -3.961 -2.861 106 HB3 ASP 16 HB2 ASP 16 -10.660 -4.975 -2.956 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -9.559 -2.545 -0.338 2 HA2 GLY 1 HA1 GLY 1 -9.446 -3.676 1.818 3 HA3 GLY 1 HA2 GLY 1 -10.030 -5.126 1.016 4 H ILE 2 H ILE 2 -8.147 -4.326 -1.289 5 HA ILE 2 HA ILE 2 -6.029 -6.047 -0.569 6 HB ILE 2 HB ILE 2 -6.080 -4.048 -2.832 7 HG12 ILE 2 HG12 ILE 2 -6.931 -6.951 -2.819 8 HG13 ILE 2 HG11 ILE 2 -8.034 -5.579 -2.835 9 HG21 ILE 2 HG21 ILE 2 -4.513 -5.684 -3.888 10 HG22 ILE 2 HG22 ILE 2 -3.860 -4.849 -2.479 11 HG23 ILE 2 HG23 ILE 2 -4.425 -6.513 -2.333 12 HD11 ILE 2 HD11 ILE 2 -6.594 -4.956 -4.977 13 HD12 ILE 2 HD12 ILE 2 -6.371 -6.705 -5.000 14 HD13 ILE 2 HD13 ILE 2 -7.996 -6.023 -5.048 15 H CYS 3 H CYS 3 -3.963 -5.668 0.095 16 HA CYS 3 HA CYS 3 -3.080 -2.900 0.441 17 HB2 CYS 3 HB1 CYS 3 -3.513 -4.911 2.612 18 HB3 CYS 3 HB2 CYS 3 -2.173 -3.778 2.759 19 H PHE 4 H PHE 4 -1.097 -2.672 -0.336 20 HA PHE 4 HA PHE 4 0.828 -4.856 -0.054 21 HB2 PHE 4 HB1 PHE 4 1.521 -4.689 -2.390 22 HB3 PHE 4 HB2 PHE 4 -0.185 -5.115 -2.288 23 HD1 PHE 4 HD1 PHE 4 2.211 -2.480 -3.148 24 HD2 PHE 4 HD2 PHE 4 -1.890 -3.612 -3.049 25 HE1 PHE 4 HE1 PHE 4 1.656 -0.578 -4.605 26 HE2 PHE 4 HE2 PHE 4 -2.453 -1.710 -4.507 27 HZ PHE 4 HZ PHE 4 -0.679 -0.190 -5.286 28 H LYS 5 H LYS 5 3.056 -4.174 -0.412 29 HA LYS 5 HA LYS 5 3.419 -1.301 0.134 30 HB2 LYS 5 HB1 LYS 5 5.547 -2.021 1.285 31 HB3 LYS 5 HB2 LYS 5 4.057 -2.510 2.082 32 HG2 LYS 5 HG1 LYS 5 4.332 -4.738 1.514 33 HG3 LYS 5 HG2 LYS 5 5.441 -4.368 0.192 34 HD2 LYS 5 HD1 LYS 5 6.846 -5.216 1.840 35 HD3 LYS 5 HD2 LYS 5 6.993 -3.469 2.051 36 HE2 LYS 5 HE2 LYS 5 6.672 -4.121 4.223 37 HE3 LYS 5 HE1 LYS 5 5.004 -3.834 3.731 38 HZ1 LYS 5 HZ1 LYS 5 4.681 -6.159 3.399 39 HZ2 LYS 5 HZ2 LYS 5 5.349 -5.949 4.938 40 HZ3 LYS 5 HZ3 LYS 5 6.318 -6.493 3.664 41 H ASP 6 H ASP 6 4.866 -0.163 -1.054 42 HA ASP 6 HA ASP 6 5.815 -1.368 -3.493 43 HB2 ASP 6 HB1 ASP 6 5.654 1.387 -2.381 44 HB3 ASP 6 HB2 ASP 6 6.875 1.085 -3.615 45 HA PRO 7 HA PRO 7 9.977 -2.239 -2.420 46 HB2 PRO 7 HB1 PRO 7 11.334 -1.446 -4.634 47 HB3 PRO 7 HB2 PRO 7 10.306 -2.883 -4.601 48 HG2 PRO 7 HG1 PRO 7 9.698 -0.143 -5.642 49 HG3 PRO 7 HG2 PRO 7 9.321 -1.721 -6.357 50 HD2 PRO 7 HD1 PRO 7 7.486 -0.260 -5.004 51 HD3 PRO 7 HD2 PRO 7 7.479 -2.035 -5.007 52 H PHE 8 H PHE 8 9.072 1.001 -3.181 53 HA PHE 8 HA PHE 8 11.615 2.182 -2.535 54 HB2 PHE 8 HB1 PHE 8 8.941 3.574 -2.702 55 HB3 PHE 8 HB2 PHE 8 10.537 4.296 -2.871 56 HD1 PHE 8 HD2 PHE 8 11.982 3.422 -4.839 57 HD2 PHE 8 HD1 PHE 8 7.759 2.957 -4.585 58 HE1 PHE 8 HE2 PHE 8 11.875 3.093 -7.276 59 HE2 PHE 8 HE1 PHE 8 7.644 2.626 -7.020 60 HZ PHE 8 HZ PHE 8 9.704 2.693 -8.369 61 H GLY 9 H GLY 9 8.822 1.165 -0.804 62 HA2 GLY 9 HA1 GLY 9 9.032 0.852 1.589 63 HA3 GLY 9 HA2 GLY 9 9.962 2.342 1.647 64 H SER 10 H SER 10 7.219 2.381 -0.397 65 HA SER 10 HA SER 10 5.857 4.148 1.502 66 HB2 SER 10 HB1 SER 10 4.494 4.797 -0.521 67 HB3 SER 10 HB2 SER 10 6.214 5.167 -0.641 68 HG SER 10 HG SER 10 6.484 3.522 -2.048 69 H THR 11 H THR 11 3.848 3.754 2.283 70 HA THR 11 HA THR 11 2.784 1.068 1.847 71 HB THR 11 HB THR 11 1.595 2.973 3.822 72 HG1 THR 11 HG1 THR 11 4.090 1.625 4.076 73 HG21 THR 11 HG21 THR 11 2.210 0.192 4.543 74 HG22 THR 11 HG22 THR 11 1.090 0.372 3.192 75 HG23 THR 11 HG23 THR 11 0.721 1.114 4.748 76 H LEU 12 H LEU 12 1.120 0.721 0.541 77 HA LEU 12 HA LEU 12 -0.880 2.834 0.173 78 HB2 LEU 12 HB1 LEU 12 0.444 1.272 -2.039 79 HB3 LEU 12 HB2 LEU 12 -0.961 2.317 -2.245 80 HG LEU 12 HG LEU 12 1.745 3.271 -1.315 81 HD11 LEU 12 HD11 LEU 12 0.553 2.985 -4.033 82 HD12 LEU 12 HD12 LEU 12 2.205 2.693 -3.491 83 HD13 LEU 12 HD13 LEU 12 1.620 4.345 -3.690 84 HD21 LEU 12 HD21 LEU 12 -0.898 4.527 -1.724 85 HD22 LEU 12 HD22 LEU 12 0.501 5.426 -2.309 86 HD23 LEU 12 HD23 LEU 12 0.404 4.952 -0.613 87 H CYS 13 H CYS 13 -2.961 2.129 -0.077 88 HA CYS 13 HA CYS 13 -3.438 -0.749 -0.338 89 HB2 CYS 13 HB1 CYS 13 -4.332 1.001 1.941 90 HB3 CYS 13 HB2 CYS 13 -5.232 -0.446 1.499 91 H ALA 14 H ALA 14 -5.371 -1.295 -1.308 92 HA ALA 14 HA ALA 14 -6.663 0.845 -2.779 93 HB1 ALA 14 HB1 ALA 14 -7.981 -1.288 -3.640 94 HB2 ALA 14 HB2 ALA 14 -6.366 -0.886 -4.227 95 HB3 ALA 14 HB3 ALA 14 -6.571 -2.114 -2.978 96 HA PRO 15 HA PRO 15 -10.333 1.201 -0.400 97 HB2 PRO 15 HB1 PRO 15 -12.247 1.437 -2.311 98 HB3 PRO 15 HB2 PRO 15 -11.081 2.718 -1.957 99 HG2 PRO 15 HG1 PRO 15 -11.048 0.680 -4.149 100 HG3 PRO 15 HG2 PRO 15 -10.669 2.410 -4.225 101 HD2 PRO 15 HD1 PRO 15 -8.752 0.501 -4.116 102 HD3 PRO 15 HD2 PRO 15 -8.541 2.108 -3.391 103 H ASP 16 H ASP 16 -10.072 -1.378 -2.700 104 HA ASP 16 HA ASP 16 -12.368 -2.769 -1.512 105 HB2 ASP 16 HB1 ASP 16 -10.876 -3.061 -4.096 106 HB3 ASP 16 HB2 ASP 16 -11.783 -4.427 -3.454 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -9.548 -2.559 -0.270 2 HA2 GLY 1 HA1 GLY 1 -9.109 -3.789 1.706 3 HA3 GLY 1 HA2 GLY 1 -9.948 -5.166 1.006 4 H ILE 2 H ILE 2 -7.731 -3.584 -1.061 5 HA ILE 2 HA ILE 2 -5.907 -5.865 -0.818 6 HB ILE 2 HB ILE 2 -6.098 -3.782 -2.998 7 HG12 ILE 2 HG12 ILE 2 -6.976 -6.679 -2.980 8 HG13 ILE 2 HG11 ILE 2 -8.056 -5.293 -2.874 9 HG21 ILE 2 HG21 ILE 2 -4.134 -4.516 -3.720 10 HG22 ILE 2 HG22 ILE 2 -4.023 -5.597 -2.333 11 HG23 ILE 2 HG23 ILE 2 -4.778 -6.154 -3.826 12 HD11 ILE 2 HD11 ILE 2 -8.032 -6.173 -5.118 13 HD12 ILE 2 HD12 ILE 2 -7.303 -4.566 -5.095 14 HD13 ILE 2 HD13 ILE 2 -6.279 -5.999 -5.197 15 H CYS 3 H CYS 3 -4.265 -5.550 0.531 16 HA CYS 3 HA CYS 3 -2.994 -2.894 0.607 17 HB2 CYS 3 HB1 CYS 3 -3.458 -4.985 2.683 18 HB3 CYS 3 HB2 CYS 3 -2.006 -3.997 2.814 19 H PHE 4 H PHE 4 -1.043 -2.720 -0.261 20 HA PHE 4 HA PHE 4 0.808 -4.969 -0.162 21 HB2 PHE 4 HB1 PHE 4 1.340 -4.780 -2.563 22 HB3 PHE 4 HB2 PHE 4 -0.331 -5.269 -2.301 23 HD1 PHE 4 HD2 PHE 4 -2.142 -3.524 -2.502 24 HD2 PHE 4 HD1 PHE 4 1.858 -2.868 -3.803 25 HE1 PHE 4 HE2 PHE 4 -2.910 -1.660 -3.913 26 HE2 PHE 4 HE1 PHE 4 1.096 -1.003 -5.214 27 HZ PHE 4 HZ PHE 4 -1.290 -0.396 -5.270 28 H LYS 5 H LYS 5 2.857 -4.342 0.177 29 HA LYS 5 HA LYS 5 3.382 -1.486 0.380 30 HB2 LYS 5 HB1 LYS 5 5.339 -2.090 1.631 31 HB3 LYS 5 HB2 LYS 5 3.998 -3.066 2.217 32 HG2 LYS 5 HG1 LYS 5 4.789 -4.972 0.956 33 HG3 LYS 5 HG2 LYS 5 6.088 -4.000 0.259 34 HD2 LYS 5 HD1 LYS 5 7.169 -5.106 1.984 35 HD3 LYS 5 HD2 LYS 5 6.743 -3.567 2.736 36 HE2 LYS 5 HE2 LYS 5 4.754 -4.613 3.720 37 HE3 LYS 5 HE1 LYS 5 5.202 -6.149 2.981 38 HZ1 LYS 5 HZ1 LYS 5 5.861 -5.555 5.442 39 HZ2 LYS 5 HZ2 LYS 5 7.182 -4.826 4.677 40 HZ3 LYS 5 HZ3 LYS 5 6.880 -6.475 4.454 41 H ASP 6 H ASP 6 4.866 -0.369 -0.808 42 HA ASP 6 HA ASP 6 5.739 -1.630 -3.279 43 HB2 ASP 6 HB1 ASP 6 5.428 1.169 -2.308 44 HB3 ASP 6 HB2 ASP 6 6.621 0.872 -3.570 45 HA PRO 7 HA PRO 7 9.972 -2.157 -2.259 46 HB2 PRO 7 HB1 PRO 7 11.228 -1.395 -4.541 47 HB3 PRO 7 HB2 PRO 7 10.303 -2.895 -4.409 48 HG2 PRO 7 HG1 PRO 7 9.487 -0.262 -5.577 49 HG3 PRO 7 HG2 PRO 7 9.206 -1.897 -6.202 50 HD2 PRO 7 HD1 PRO 7 7.301 -0.493 -4.884 51 HD3 PRO 7 HD2 PRO 7 7.417 -2.263 -4.795 52 H PHE 8 H PHE 8 8.824 0.965 -3.149 53 HA PHE 8 HA PHE 8 11.278 2.375 -2.693 54 HB2 PHE 8 HB1 PHE 8 8.425 3.371 -2.842 55 HB3 PHE 8 HB2 PHE 8 9.851 4.402 -2.797 56 HD1 PHE 8 HD2 PHE 8 11.468 4.340 -4.691 57 HD2 PHE 8 HD1 PHE 8 7.697 2.374 -4.848 58 HE1 PHE 8 HE2 PHE 8 11.639 4.217 -7.142 59 HE2 PHE 8 HE1 PHE 8 7.861 2.247 -7.300 60 HZ PHE 8 HZ PHE 8 9.835 3.169 -8.450 61 H GLY 9 H GLY 9 8.733 1.169 -0.717 62 HA2 GLY 9 HA1 GLY 9 9.275 0.962 1.669 63 HA3 GLY 9 HA2 GLY 9 9.889 2.607 1.591 64 H SER 10 H SER 10 7.518 3.267 -0.202 65 HA SER 10 HA SER 10 5.798 4.133 1.929 66 HB2 SER 10 HB1 SER 10 5.936 4.566 -1.022 67 HB3 SER 10 HB2 SER 10 4.405 4.880 -0.206 68 HG SER 10 HG SER 10 5.939 6.098 1.324 69 H THR 11 H THR 11 3.599 3.622 2.204 70 HA THR 11 HA THR 11 2.901 0.931 1.259 71 HB THR 11 HB THR 11 2.942 1.251 3.704 72 HG1 THR 11 HG1 THR 11 0.222 0.961 3.030 73 HG21 THR 11 HG21 THR 11 1.335 2.664 4.816 74 HG22 THR 11 HG22 THR 11 0.626 3.138 3.272 75 HG23 THR 11 HG23 THR 11 2.264 3.644 3.682 76 H LEU 12 H LEU 12 1.170 0.568 -0.002 77 HA LEU 12 HA LEU 12 -0.705 2.790 -0.464 78 HB2 LEU 12 HB1 LEU 12 1.112 2.206 -2.284 79 HB3 LEU 12 HB2 LEU 12 -0.029 0.924 -2.683 80 HG LEU 12 HG LEU 12 -0.356 2.829 -4.139 81 HD11 LEU 12 HD11 LEU 12 -2.657 2.909 -4.020 82 HD12 LEU 12 HD12 LEU 12 -2.672 2.951 -2.257 83 HD13 LEU 12 HD13 LEU 12 -2.299 1.448 -3.100 84 HD21 LEU 12 HD21 LEU 12 0.108 4.311 -1.754 85 HD22 LEU 12 HD22 LEU 12 -1.480 4.746 -2.384 86 HD23 LEU 12 HD23 LEU 12 -0.052 4.901 -3.408 87 H CYS 13 H CYS 13 -2.643 2.185 0.217 88 HA CYS 13 HA CYS 13 -3.444 -0.630 -0.128 89 HB2 CYS 13 HB1 CYS 13 -3.917 1.351 2.043 90 HB3 CYS 13 HB2 CYS 13 -5.211 0.212 1.689 91 H ALA 14 H ALA 14 -5.455 -1.107 -0.978 92 HA ALA 14 HA ALA 14 -6.707 1.083 -2.469 93 HB1 ALA 14 HB1 ALA 14 -6.817 -0.378 -4.131 94 HB2 ALA 14 HB2 ALA 14 -6.082 -1.608 -3.102 95 HB3 ALA 14 HB3 ALA 14 -7.837 -1.433 -3.152 96 HA PRO 15 HA PRO 15 -10.413 1.126 -0.122 97 HB2 PRO 15 HB1 PRO 15 -12.316 1.409 -2.037 98 HB3 PRO 15 HB2 PRO 15 -11.210 2.710 -1.582 99 HG2 PRO 15 HG1 PRO 15 -11.068 0.828 -3.906 100 HG3 PRO 15 HG2 PRO 15 -10.761 2.574 -3.861 101 HD2 PRO 15 HD1 PRO 15 -8.766 0.743 -3.855 102 HD3 PRO 15 HD2 PRO 15 -8.631 2.305 -3.021 103 H ASP 16 H ASP 16 -10.034 -1.274 -2.598 104 HA ASP 16 HA ASP 16 -12.276 -2.838 -1.532 105 HB2 ASP 16 HB1 ASP 16 -12.330 -4.019 -3.542 106 HB3 ASP 16 HB2 ASP 16 -11.898 -2.391 -4.060 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -9.636 -2.336 -0.300 2 HA2 GLY 1 HA1 GLY 1 -9.096 -3.222 1.776 3 HA3 GLY 1 HA2 GLY 1 -10.020 -4.662 1.370 4 H ILE 2 H ILE 2 -7.711 -3.675 -0.954 5 HA ILE 2 HA ILE 2 -6.030 -5.963 -0.225 6 HB ILE 2 HB ILE 2 -6.098 -4.372 -2.793 7 HG12 ILE 2 HG12 ILE 2 -8.145 -5.655 -2.487 8 HG13 ILE 2 HG11 ILE 2 -7.155 -6.407 -3.734 9 HG21 ILE 2 HG21 ILE 2 -3.919 -5.277 -2.523 10 HG22 ILE 2 HG22 ILE 2 -4.560 -6.828 -1.981 11 HG23 ILE 2 HG23 ILE 2 -4.771 -6.324 -3.657 12 HD11 ILE 2 HD11 ILE 2 -8.018 -8.150 -2.408 13 HD12 ILE 2 HD12 ILE 2 -6.323 -7.977 -1.953 14 HD13 ILE 2 HD13 ILE 2 -7.587 -7.325 -0.910 15 H CYS 3 H CYS 3 -4.341 -5.495 1.013 16 HA CYS 3 HA CYS 3 -3.013 -2.896 0.705 17 HB2 CYS 3 HB1 CYS 3 -3.327 -4.822 2.951 18 HB3 CYS 3 HB2 CYS 3 -1.833 -3.893 2.888 19 H PHE 4 H PHE 4 -1.001 -2.725 -0.073 20 HA PHE 4 HA PHE 4 0.727 -5.074 -0.174 21 HB2 PHE 4 HB1 PHE 4 1.258 -4.548 -2.598 22 HB3 PHE 4 HB2 PHE 4 -0.323 -5.265 -2.300 23 HD1 PHE 4 HD1 PHE 4 1.415 -2.069 -2.970 24 HD2 PHE 4 HD2 PHE 4 -2.290 -4.163 -2.936 25 HE1 PHE 4 HE1 PHE 4 0.348 -0.193 -4.152 26 HE2 PHE 4 HE2 PHE 4 -3.362 -2.290 -4.118 27 HZ PHE 4 HZ PHE 4 -2.043 -0.302 -4.728 28 H LYS 5 H LYS 5 2.878 -4.606 -0.060 29 HA LYS 5 HA LYS 5 3.559 -1.849 0.560 30 HB2 LYS 5 HB1 LYS 5 4.963 -4.487 0.879 31 HB3 LYS 5 HB2 LYS 5 5.846 -2.975 1.045 32 HG2 LYS 5 HG1 LYS 5 3.552 -2.690 2.623 33 HG3 LYS 5 HG2 LYS 5 4.160 -4.317 2.935 34 HD2 LYS 5 HD1 LYS 5 6.206 -2.202 2.846 35 HD3 LYS 5 HD2 LYS 5 5.058 -2.086 4.183 36 HE2 LYS 5 HE2 LYS 5 5.552 -4.495 4.684 37 HE3 LYS 5 HE1 LYS 5 6.842 -4.413 3.485 38 HZ1 LYS 5 HZ1 LYS 5 7.343 -3.982 5.985 39 HZ2 LYS 5 HZ2 LYS 5 6.773 -2.426 5.647 40 HZ3 LYS 5 HZ3 LYS 5 8.099 -3.042 4.798 41 H ASP 6 H ASP 6 4.468 -0.500 -0.837 42 HA ASP 6 HA ASP 6 5.133 -1.330 -3.487 43 HB2 ASP 6 HB1 ASP 6 5.073 1.242 -1.994 44 HB3 ASP 6 HB2 ASP 6 6.091 1.168 -3.430 45 HA PRO 7 HA PRO 7 9.436 -2.127 -3.215 46 HB2 PRO 7 HB1 PRO 7 10.392 -0.980 -5.482 47 HB3 PRO 7 HB2 PRO 7 9.424 -2.458 -5.488 48 HG2 PRO 7 HG1 PRO 7 8.578 0.362 -6.028 49 HG3 PRO 7 HG2 PRO 7 8.134 -1.124 -6.889 50 HD2 PRO 7 HD1 PRO 7 6.504 0.052 -5.074 51 HD3 PRO 7 HD2 PRO 7 6.546 -1.706 -5.323 52 H PHE 8 H PHE 8 8.310 1.118 -3.297 53 HA PHE 8 HA PHE 8 10.911 2.316 -2.890 54 HB2 PHE 8 HB1 PHE 8 8.120 3.475 -2.782 55 HB3 PHE 8 HB2 PHE 8 9.592 4.418 -2.585 56 HD1 PHE 8 HD2 PHE 8 11.195 4.592 -4.491 57 HD2 PHE 8 HD1 PHE 8 7.322 2.875 -4.912 58 HE1 PHE 8 HE2 PHE 8 11.338 4.877 -6.930 59 HE2 PHE 8 HE1 PHE 8 7.460 3.157 -7.353 60 HZ PHE 8 HZ PHE 8 9.468 4.159 -8.365 61 H GLY 9 H GLY 9 8.379 1.003 -0.966 62 HA2 GLY 9 HA1 GLY 9 8.913 0.410 1.326 63 HA3 GLY 9 HA2 GLY 9 9.795 1.925 1.453 64 H SER 10 H SER 10 7.492 3.213 -0.084 65 HA SER 10 HA SER 10 6.143 4.278 2.128 66 HB2 SER 10 HB1 SER 10 5.869 5.743 0.420 67 HB3 SER 10 HB2 SER 10 5.927 4.474 -0.804 68 HG SER 10 HG SER 10 3.862 5.447 -0.685 69 H THR 11 H THR 11 3.830 4.165 2.598 70 HA THR 11 HA THR 11 2.861 1.402 2.365 71 HB THR 11 HB THR 11 1.692 3.441 4.238 72 HG1 THR 11 HG1 THR 11 3.930 3.419 4.663 73 HG21 THR 11 HG21 THR 11 1.873 0.903 5.405 74 HG22 THR 11 HG22 THR 11 1.391 0.617 3.733 75 HG23 THR 11 HG23 THR 11 0.428 1.679 4.758 76 H LEU 12 H LEU 12 1.437 1.090 0.787 77 HA LEU 12 HA LEU 12 -0.675 3.100 0.392 78 HB2 LEU 12 HB1 LEU 12 1.084 1.783 -1.628 79 HB3 LEU 12 HB2 LEU 12 -0.568 2.211 -2.069 80 HG LEU 12 HG LEU 12 1.219 4.294 -0.890 81 HD11 LEU 12 HD11 LEU 12 1.490 4.670 -3.582 82 HD12 LEU 12 HD12 LEU 12 1.635 2.918 -3.434 83 HD13 LEU 12 HD13 LEU 12 2.714 3.972 -2.521 84 HD21 LEU 12 HD21 LEU 12 -1.176 4.732 -1.265 85 HD22 LEU 12 HD22 LEU 12 -0.954 4.387 -2.980 86 HD23 LEU 12 HD23 LEU 12 -0.138 5.769 -2.245 87 H CYS 13 H CYS 13 -2.714 2.317 -0.112 88 HA CYS 13 HA CYS 13 -3.049 -0.599 -0.168 89 HB2 CYS 13 HB1 CYS 13 -4.307 1.354 1.733 90 HB3 CYS 13 HB2 CYS 13 -5.159 -0.122 1.291 91 H ALA 14 H ALA 14 -5.286 -1.227 -0.848 92 HA ALA 14 HA ALA 14 -6.195 0.596 -2.965 93 HB1 ALA 14 HB1 ALA 14 -6.234 -1.182 -4.287 94 HB2 ALA 14 HB2 ALA 14 -5.623 -2.166 -2.957 95 HB3 ALA 14 HB3 ALA 14 -7.360 -1.995 -3.201 96 HA PRO 15 HA PRO 15 -10.128 1.252 -1.136 97 HB2 PRO 15 HB1 PRO 15 -11.789 1.178 -3.283 98 HB3 PRO 15 HB2 PRO 15 -10.669 2.513 -2.979 99 HG2 PRO 15 HG1 PRO 15 -10.375 0.175 -4.826 100 HG3 PRO 15 HG2 PRO 15 -9.980 1.881 -5.108 101 HD2 PRO 15 HD1 PRO 15 -8.101 0.034 -4.483 102 HD3 PRO 15 HD2 PRO 15 -7.974 1.732 -3.982 103 H ASP 16 H ASP 16 -9.596 -1.634 -2.978 104 HA ASP 16 HA ASP 16 -12.029 -2.866 -1.890 105 HB2 ASP 16 HB1 ASP 16 -11.376 -4.758 -3.484 106 HB3 ASP 16 HB2 ASP 16 -11.907 -3.247 -4.218
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