NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647512 | 6u7s | 30668 | 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 -8.103 0.769 1.779 2 HA2 GLY 1 2HA GLY 1 -7.705 -0.662 3.715 3 HA3 GLY 1 1HA GLY 1 -8.793 -1.831 2.976 4 H ARG 2 H ARG 2 -7.029 -0.513 0.552 5 HA ARG 2 HA ARG 2 -5.376 -2.886 0.384 6 HB2 ARG 2 2HB ARG 2 -5.715 -0.589 -1.549 7 HB3 ARG 2 1HB ARG 2 -4.691 -1.981 -1.836 8 HG2 ARG 2 2HG ARG 2 -6.666 -3.425 -1.751 9 HG3 ARG 2 1HG ARG 2 -7.689 -1.998 -1.527 10 HD2 ARG 2 2HD ARG 2 -6.908 -1.103 -3.662 11 HD3 ARG 2 1HD ARG 2 -5.852 -2.494 -3.861 12 HE ARG 2 HE ARG 2 -8.584 -3.242 -3.535 13 HH11 ARG 2 1HH1 ARG 2 -6.239 -2.032 -5.909 14 HH12 ARG 2 2HH1 ARG 2 -7.018 -2.743 -7.241 15 HH21 ARG 2 1HH2 ARG 2 -9.678 -4.193 -5.440 16 HH22 ARG 2 2HH2 ARG 2 -8.988 -3.967 -6.982 17 H CYS 3 H CYS 3 -3.605 -2.825 1.601 18 HA CYS 3 HA CYS 3 -1.913 -0.460 1.394 19 HB2 CYS 3 2HB CYS 3 -2.430 -2.257 3.726 20 HB3 CYS 3 1HB CYS 3 -0.904 -1.386 3.590 21 H TYR 4 H TYR 4 -0.031 -0.690 0.565 22 HA TYR 4 HA TYR 4 0.954 -3.400 0.119 23 HB2 TYR 4 2HB TYR 4 1.448 -0.866 -1.463 24 HB3 TYR 4 1HB TYR 4 2.161 -2.438 -1.818 25 HD1 TYR 4 1HD TYR 4 0.738 -4.284 -2.625 26 HD2 TYR 4 2HD TYR 4 -0.840 -0.378 -2.059 27 HE1 TYR 4 1HE TYR 4 -1.211 -4.889 -3.967 28 HE2 TYR 4 2HE TYR 4 -2.807 -0.977 -3.405 29 HH TYR 4 HH TYR 4 -3.545 -4.164 -4.221 30 H LYS 5 H LYS 5 2.701 -3.942 1.139 31 HA LYS 5 HA LYS 5 4.097 -2.048 2.800 32 HB2 LYS 5 2HB LYS 5 4.632 -4.990 2.336 33 HB3 LYS 5 1HB LYS 5 5.309 -3.999 3.622 34 HG2 LYS 5 2HG LYS 5 3.168 -3.725 4.632 35 HG3 LYS 5 1HG LYS 5 2.376 -4.526 3.278 36 HD2 LYS 5 2HD LYS 5 3.682 -6.579 3.827 37 HD3 LYS 5 1HD LYS 5 4.283 -5.742 5.260 38 HE2 LYS 5 2HE LYS 5 2.377 -7.193 5.803 39 HE3 LYS 5 1HE LYS 5 2.002 -5.497 6.095 40 HZ1 LYS 5 1HZ LYS 5 0.801 -5.424 4.017 41 HZ2 LYS 5 2HZ LYS 5 0.174 -6.672 4.931 42 HZ3 LYS 5 3HZ LYS 5 1.223 -6.995 3.652 43 H SER 6 H SER 6 5.174 -0.739 1.496 44 HA SER 6 HA SER 6 7.481 -1.765 0.115 45 HB2 SER 6 2HB SER 6 5.351 -0.090 -1.263 46 HB3 SER 6 1HB SER 6 6.887 -0.586 -1.973 47 HG SER 6 HG SER 6 5.652 -2.724 -1.006 48 H LYS 7 H LYS 7 8.513 0.417 -0.854 49 HA LYS 7 HA LYS 7 8.050 2.548 1.077 50 HB2 LYS 7 2HB LYS 7 10.689 1.626 -0.084 51 HB3 LYS 7 1HB LYS 7 10.490 3.094 0.862 52 HG2 LYS 7 2HG LYS 7 9.859 0.327 1.866 53 HG3 LYS 7 1HG LYS 7 11.381 1.167 2.157 54 HD2 LYS 7 2HD LYS 7 10.228 2.918 3.366 55 HD3 LYS 7 1HD LYS 7 8.663 2.210 2.973 56 HE2 LYS 7 2HE LYS 7 10.806 0.857 4.591 57 HE3 LYS 7 1HE LYS 7 9.436 1.713 5.280 58 HZ1 LYS 7 1HZ LYS 7 7.975 0.113 4.042 59 HZ2 LYS 7 2HZ LYS 7 8.903 -0.568 5.237 60 HZ3 LYS 7 3HZ LYS 7 9.360 -0.770 3.634 61 HA PRO 8 HA PRO 8 7.237 4.307 1.214 62 HB2 PRO 8 2HB PRO 8 5.117 5.749 -0.165 63 HB3 PRO 8 1HB PRO 8 6.366 6.389 0.904 64 HG2 PRO 8 2HG PRO 8 6.310 6.924 -1.754 65 HG3 PRO 8 1HG PRO 8 7.817 6.816 -0.829 66 HD2 PRO 8 2HD PRO 8 6.521 4.747 -2.577 67 HD3 PRO 8 1HD PRO 8 8.226 5.247 -2.505 68 HA PRO 9 HA PRO 9 4.015 1.237 1.131 69 HB2 PRO 9 2HB PRO 9 2.753 1.787 3.479 70 HB3 PRO 9 1HB PRO 9 4.312 0.962 3.401 71 HG2 PRO 9 2HG PRO 9 3.712 3.823 4.007 72 HG3 PRO 9 1HG PRO 9 4.921 2.754 4.735 73 HD2 PRO 9 2HD PRO 9 5.506 4.632 2.840 74 HD3 PRO 9 1HD PRO 9 6.441 3.138 3.057 75 H ILE 10 H ILE 10 2.547 1.549 -0.334 76 HA ILE 10 HA ILE 10 0.894 3.915 -0.419 77 HB ILE 10 HB ILE 10 0.897 1.492 -2.251 78 HG12 ILE 10 2HG1 ILE 10 2.229 4.191 -2.615 79 HG13 ILE 10 1HG1 ILE 10 3.067 2.700 -2.206 80 HG21 ILE 10 1HG2 ILE 10 -1.199 2.760 -2.346 81 HG22 ILE 10 2HG2 ILE 10 -0.277 2.960 -3.835 82 HG23 ILE 10 3HG2 ILE 10 -0.294 4.247 -2.630 83 HD11 ILE 10 1HD1 ILE 10 2.392 1.743 -4.354 84 HD12 ILE 10 2HD1 ILE 10 3.304 3.238 -4.564 85 HD13 ILE 10 3HD1 ILE 10 1.551 3.241 -4.754 86 H CYS 11 H CYS 11 -0.933 4.019 0.688 87 HA CYS 11 HA CYS 11 -2.523 1.597 0.942 88 HB2 CYS 11 2HB CYS 11 -2.065 3.752 2.988 89 HB3 CYS 11 1HB CYS 11 -3.435 2.655 3.055 90 H PHE 12 H PHE 12 -4.310 1.679 0.028 91 HA PHE 12 HA PHE 12 -5.571 4.206 -0.666 92 HB2 PHE 12 2HB PHE 12 -6.285 1.353 -1.428 93 HB3 PHE 12 1HB PHE 12 -7.124 2.787 -1.990 94 HD1 PHE 12 1HD PHE 12 -6.120 4.266 -3.634 95 HD2 PHE 12 2HD PHE 12 -4.108 0.746 -2.332 96 HE1 PHE 12 1HE PHE 12 -4.592 4.438 -5.538 97 HE2 PHE 12 2HE PHE 12 -2.572 0.923 -4.250 98 HZ PHE 12 HZ PHE 12 -2.812 2.764 -5.849 99 HA PRO 13 HA PRO 13 -8.025 3.974 3.025 100 HB2 PRO 13 2HB PRO 13 -10.268 5.312 2.088 101 HB3 PRO 13 1HB PRO 13 -8.813 6.086 2.723 102 HG2 PRO 13 2HG PRO 13 -9.613 5.587 -0.107 103 HG3 PRO 13 1HG PRO 13 -8.812 7.003 0.595 104 HD2 PRO 13 2HD PRO 13 -7.459 5.173 -0.823 105 HD3 PRO 13 1HD PRO 13 -6.731 5.976 0.584 106 H ASP 14 H ASP 14 -8.897 2.454 0.176 107 HA ASP 14 HA ASP 14 -11.369 1.237 0.922 108 HB2 ASP 14 2HB ASP 14 -9.274 0.284 -1.035 109 HB3 ASP 14 1HB ASP 14 -10.930 -0.297 -0.929 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -8.254 0.926 1.671 2 HA2 GLY 1 2HA GLY 1 -7.797 -0.109 3.796 3 HA3 GLY 1 1HA GLY 1 -9.112 -1.229 3.479 4 H ARG 2 H ARG 2 -6.281 -0.226 1.604 5 HA ARG 2 HA ARG 2 -5.218 -2.945 1.785 6 HB2 ARG 2 2HB ARG 2 -5.743 -1.458 -0.776 7 HB3 ARG 2 1HB ARG 2 -4.575 -2.755 -0.664 8 HG2 ARG 2 2HG ARG 2 -6.339 -4.318 -0.104 9 HG3 ARG 2 1HG ARG 2 -7.522 -3.005 -0.113 10 HD2 ARG 2 2HD ARG 2 -5.820 -3.799 -2.473 11 HD3 ARG 2 1HD ARG 2 -7.502 -4.284 -2.237 12 HE ARG 2 HE ARG 2 -7.912 -1.798 -2.089 13 HH11 ARG 2 1HH1 ARG 2 -5.351 -3.131 -4.214 14 HH12 ARG 2 2HH1 ARG 2 -5.512 -1.903 -5.372 15 HH21 ARG 2 1HH2 ARG 2 -8.063 -0.152 -3.646 16 HH22 ARG 2 2HH2 ARG 2 -7.105 -0.149 -5.077 17 H CYS 3 H CYS 3 -3.291 -2.567 2.744 18 HA CYS 3 HA CYS 3 -1.732 -0.332 1.713 19 HB2 CYS 3 2HB CYS 3 -1.502 -1.928 4.266 20 HB3 CYS 3 1HB CYS 3 -0.263 -0.813 3.705 21 H TYR 4 H TYR 4 -0.134 -0.711 0.425 22 HA TYR 4 HA TYR 4 0.708 -3.478 0.112 23 HB2 TYR 4 2HB TYR 4 0.845 -1.116 -1.768 24 HB3 TYR 4 1HB TYR 4 1.655 -2.646 -2.093 25 HD1 TYR 4 1HD TYR 4 0.411 -4.584 -2.777 26 HD2 TYR 4 2HD TYR 4 -1.629 -0.994 -1.768 27 HE1 TYR 4 1HE TYR 4 -1.641 -5.495 -3.739 28 HE2 TYR 4 2HE TYR 4 -3.700 -1.898 -2.734 29 HH TYR 4 HH TYR 4 -4.058 -5.168 -3.505 30 H LYS 5 H LYS 5 2.642 -4.065 0.589 31 HA LYS 5 HA LYS 5 4.260 -2.231 2.030 32 HB2 LYS 5 2HB LYS 5 5.770 -4.217 2.390 33 HB3 LYS 5 1HB LYS 5 4.132 -4.367 2.998 34 HG2 LYS 5 2HG LYS 5 3.563 -5.683 0.972 35 HG3 LYS 5 1HG LYS 5 5.269 -5.627 0.515 36 HD2 LYS 5 2HD LYS 5 5.884 -6.768 2.545 37 HD3 LYS 5 1HD LYS 5 4.222 -6.718 3.118 38 HE2 LYS 5 2HE LYS 5 3.571 -8.085 1.136 39 HE3 LYS 5 1HE LYS 5 5.282 -8.222 0.732 40 HZ1 LYS 5 1HZ LYS 5 5.653 -9.301 2.867 41 HZ2 LYS 5 2HZ LYS 5 4.504 -10.125 1.942 42 HZ3 LYS 5 3HZ LYS 5 4.003 -9.180 3.232 43 H SER 6 H SER 6 5.262 -0.812 1.016 44 HA SER 6 HA SER 6 7.414 -1.491 -0.744 45 HB2 SER 6 2HB SER 6 6.617 0.322 -2.316 46 HB3 SER 6 1HB SER 6 5.623 -1.133 -2.327 47 HG SER 6 HG SER 6 5.035 1.413 -1.258 48 H LYS 7 H LYS 7 8.579 0.815 -1.072 49 HA LYS 7 HA LYS 7 8.009 2.381 1.305 50 HB2 LYS 7 2HB LYS 7 10.462 2.924 1.455 51 HB3 LYS 7 1HB LYS 7 10.055 1.257 1.805 52 HG2 LYS 7 2HG LYS 7 10.778 0.658 -0.494 53 HG3 LYS 7 1HG LYS 7 11.282 2.332 -0.728 54 HD2 LYS 7 2HD LYS 7 12.830 2.136 1.149 55 HD3 LYS 7 1HD LYS 7 12.310 0.470 1.408 56 HE2 LYS 7 2HE LYS 7 13.107 -0.104 -0.846 57 HE3 LYS 7 1HE LYS 7 13.676 1.553 -1.046 58 HZ1 LYS 7 1HZ LYS 7 15.167 1.202 0.847 59 HZ2 LYS 7 2HZ LYS 7 15.464 0.104 -0.395 60 HZ3 LYS 7 3HZ LYS 7 14.622 -0.397 0.972 61 HA PRO 8 HA PRO 8 7.245 4.086 1.916 62 HB2 PRO 8 2HB PRO 8 5.195 5.785 1.467 63 HB3 PRO 8 1HB PRO 8 6.840 6.368 1.752 64 HG2 PRO 8 2HG PRO 8 5.381 6.010 -0.839 65 HG3 PRO 8 1HG PRO 8 6.380 7.374 -0.300 66 HD2 PRO 8 2HD PRO 8 7.298 5.428 -1.963 67 HD3 PRO 8 1HD PRO 8 8.347 6.303 -0.834 68 HA PRO 9 HA PRO 9 4.014 1.121 1.002 69 HB2 PRO 9 2HB PRO 9 2.539 1.854 3.419 70 HB3 PRO 9 1HB PRO 9 3.444 0.376 3.081 71 HG2 PRO 9 2HG PRO 9 4.280 2.202 4.895 72 HG3 PRO 9 1HG PRO 9 5.405 1.222 3.939 73 HD2 PRO 9 2HD PRO 9 4.539 4.061 3.520 74 HD3 PRO 9 1HD PRO 9 6.161 3.341 3.402 75 H ILE 10 H ILE 10 2.355 1.296 -0.339 76 HA ILE 10 HA ILE 10 0.848 3.774 -0.351 77 HB ILE 10 HB ILE 10 0.806 1.478 -2.342 78 HG12 ILE 10 2HG1 ILE 10 2.137 4.201 -2.477 79 HG13 ILE 10 1HG1 ILE 10 2.965 2.665 -2.276 80 HG21 ILE 10 1HG2 ILE 10 -0.403 3.044 -3.811 81 HG22 ILE 10 2HG2 ILE 10 -0.423 4.238 -2.514 82 HG23 ILE 10 3HG2 ILE 10 -1.307 2.725 -2.330 83 HD11 ILE 10 1HD1 ILE 10 2.198 1.985 -4.508 84 HD12 ILE 10 2HD1 ILE 10 3.157 3.464 -4.554 85 HD13 ILE 10 3HD1 ILE 10 1.399 3.545 -4.693 86 H CYS 11 H CYS 11 -0.922 3.897 0.773 87 HA CYS 11 HA CYS 11 -2.465 1.457 1.231 88 HB2 CYS 11 2HB CYS 11 -2.233 3.928 2.937 89 HB3 CYS 11 1HB CYS 11 -3.400 2.645 3.223 90 H PHE 12 H PHE 12 -4.081 1.341 -0.022 91 HA PHE 12 HA PHE 12 -5.333 3.674 -1.091 92 HB2 PHE 12 2HB PHE 12 -6.026 0.754 -1.380 93 HB3 PHE 12 1HB PHE 12 -6.916 2.047 -2.145 94 HD1 PHE 12 1HD PHE 12 -6.090 3.226 -4.023 95 HD2 PHE 12 2HD PHE 12 -3.713 0.254 -2.132 96 HE1 PHE 12 1HE PHE 12 -4.567 3.232 -5.943 97 HE2 PHE 12 2HE PHE 12 -2.183 0.256 -4.052 98 HZ PHE 12 HZ PHE 12 -2.610 1.750 -5.962 99 HA PRO 13 HA PRO 13 -8.138 4.639 2.158 100 HB2 PRO 13 2HB PRO 13 -9.986 5.047 -0.151 101 HB3 PRO 13 1HB PRO 13 -9.642 6.117 1.212 102 HG2 PRO 13 2HG PRO 13 -8.569 6.571 -1.179 103 HG3 PRO 13 1HG PRO 13 -7.645 6.843 0.306 104 HD2 PRO 13 2HD PRO 13 -7.367 4.627 -1.694 105 HD3 PRO 13 1HD PRO 13 -6.170 5.403 -0.634 106 H ASP 14 H ASP 14 -9.111 2.390 -0.362 107 HA ASP 14 HA ASP 14 -11.462 1.472 0.956 108 HB2 ASP 14 2HB ASP 14 -11.516 -0.393 -0.632 109 HB3 ASP 14 1HB ASP 14 -11.246 1.135 -1.456 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -8.155 0.444 2.170 2 HA2 GLY 1 2HA GLY 1 -7.548 -1.346 3.582 3 HA3 GLY 1 1HA GLY 1 -8.767 -2.344 2.796 4 H ARG 2 H ARG 2 -6.714 -0.407 0.849 5 HA ARG 2 HA ARG 2 -5.286 -2.838 -0.026 6 HB2 ARG 2 2HB ARG 2 -5.863 -0.386 -1.709 7 HB3 ARG 2 1HB ARG 2 -5.228 -1.925 -2.259 8 HG2 ARG 2 2HG ARG 2 -7.365 -2.994 -1.803 9 HG3 ARG 2 1HG ARG 2 -8.007 -1.472 -1.186 10 HD2 ARG 2 2HD ARG 2 -7.519 -0.466 -3.440 11 HD3 ARG 2 1HD ARG 2 -7.133 -2.095 -3.998 12 HE ARG 2 HE ARG 2 -9.712 -1.770 -2.749 13 HH11 ARG 2 1HH1 ARG 2 -7.951 -1.848 -5.820 14 HH12 ARG 2 2HH1 ARG 2 -9.337 -2.128 -6.766 15 HH21 ARG 2 1HH2 ARG 2 -11.612 -2.118 -4.048 16 HH22 ARG 2 2HH2 ARG 2 -11.473 -2.263 -5.734 17 H CYS 3 H CYS 3 -3.455 -2.513 1.294 18 HA CYS 3 HA CYS 3 -1.966 -0.070 0.715 19 HB2 CYS 3 2HB CYS 3 -2.290 -1.265 3.481 20 HB3 CYS 3 1HB CYS 3 -1.404 0.201 3.065 21 H TYR 4 H TYR 4 0.032 -0.416 0.163 22 HA TYR 4 HA TYR 4 1.037 -3.142 0.286 23 HB2 TYR 4 2HB TYR 4 2.020 -0.765 -1.306 24 HB3 TYR 4 1HB TYR 4 2.668 -2.400 -1.413 25 HD1 TYR 4 1HD TYR 4 0.162 -0.137 -2.618 26 HD2 TYR 4 2HD TYR 4 1.074 -4.264 -2.142 27 HE1 TYR 4 1HE TYR 4 -1.543 -0.701 -4.284 28 HE2 TYR 4 2HE TYR 4 -0.624 -4.836 -3.809 29 HH TYR 4 HH TYR 4 -2.768 -3.759 -4.730 30 H LYS 5 H LYS 5 3.052 -3.662 1.057 31 HA LYS 5 HA LYS 5 3.803 -2.107 3.400 32 HB2 LYS 5 2HB LYS 5 5.009 -4.716 2.476 33 HB3 LYS 5 1HB LYS 5 5.000 -4.053 4.103 34 HG2 LYS 5 2HG LYS 5 2.623 -5.106 2.580 35 HG3 LYS 5 1HG LYS 5 3.436 -5.894 3.928 36 HD2 LYS 5 2HD LYS 5 2.723 -4.158 5.435 37 HD3 LYS 5 1HD LYS 5 2.079 -3.210 4.094 38 HE2 LYS 5 2HE LYS 5 1.076 -5.926 4.948 39 HE3 LYS 5 1HE LYS 5 0.317 -4.388 5.344 40 HZ1 LYS 5 1HZ LYS 5 0.640 -5.481 2.583 41 HZ2 LYS 5 2HZ LYS 5 -0.092 -4.017 2.969 42 HZ3 LYS 5 3HZ LYS 5 -0.761 -5.438 3.498 43 H SER 6 H SER 6 4.903 -2.692 0.225 44 HA SER 6 HA SER 6 7.632 -2.178 0.434 45 HB2 SER 6 2HB SER 6 7.221 -1.517 -2.016 46 HB3 SER 6 1HB SER 6 6.815 -3.171 -1.539 47 HG SER 6 HG SER 6 4.987 -1.012 -1.576 48 H LYS 7 H LYS 7 8.771 -0.191 0.105 49 HA LYS 7 HA LYS 7 7.227 2.113 1.009 50 HB2 LYS 7 2HB LYS 7 10.210 1.629 0.973 51 HB3 LYS 7 1HB LYS 7 9.420 3.055 1.627 52 HG2 LYS 7 2HG LYS 7 9.069 0.238 2.656 53 HG3 LYS 7 1HG LYS 7 10.087 1.478 3.390 54 HD2 LYS 7 2HD LYS 7 8.084 2.885 3.718 55 HD3 LYS 7 1HD LYS 7 7.096 1.601 3.028 56 HE2 LYS 7 2HE LYS 7 8.807 1.302 5.486 57 HE3 LYS 7 1HE LYS 7 7.081 1.660 5.513 58 HZ1 LYS 7 1HZ LYS 7 7.511 -0.690 5.835 59 HZ2 LYS 7 2HZ LYS 7 8.316 -0.793 4.364 60 HZ3 LYS 7 3HZ LYS 7 6.672 -0.453 4.406 61 HA PRO 8 HA PRO 8 7.276 4.373 1.037 62 HB2 PRO 8 2HB PRO 8 5.510 5.769 -0.878 63 HB3 PRO 8 1HB PRO 8 6.622 6.456 0.310 64 HG2 PRO 8 2HG PRO 8 7.153 6.587 -2.307 65 HG3 PRO 8 1HG PRO 8 8.441 6.324 -1.117 66 HD2 PRO 8 2HD PRO 8 7.028 4.317 -2.842 67 HD3 PRO 8 1HD PRO 8 8.771 4.504 -2.547 68 HA PRO 9 HA PRO 9 3.799 1.634 1.241 69 HB2 PRO 9 2HB PRO 9 2.575 3.140 3.394 70 HB3 PRO 9 1HB PRO 9 3.399 1.582 3.474 71 HG2 PRO 9 2HG PRO 9 4.380 3.907 4.549 72 HG3 PRO 9 1HG PRO 9 5.380 2.530 4.069 73 HD2 PRO 9 2HD PRO 9 4.917 5.118 2.671 74 HD3 PRO 9 1HD PRO 9 6.370 4.099 2.739 75 H ILE 10 H ILE 10 2.596 1.961 -0.517 76 HA ILE 10 HA ILE 10 0.844 4.234 -0.771 77 HB ILE 10 HB ILE 10 1.033 1.701 -2.450 78 HG12 ILE 10 2HG1 ILE 10 2.172 4.458 -2.974 79 HG13 ILE 10 1HG1 ILE 10 3.106 3.066 -2.449 80 HG21 ILE 10 1HG2 ILE 10 -0.338 4.329 -3.037 81 HG22 ILE 10 2HG2 ILE 10 -1.146 2.804 -2.668 82 HG23 ILE 10 3HG2 ILE 10 -0.206 2.968 -4.153 83 HD11 ILE 10 1HD1 ILE 10 3.362 3.460 -4.834 84 HD12 ILE 10 2HD1 ILE 10 1.617 3.321 -5.057 85 HD13 ILE 10 3HD1 ILE 10 2.554 1.919 -4.541 86 H CYS 11 H CYS 11 -0.902 4.292 0.456 87 HA CYS 11 HA CYS 11 -2.308 1.789 1.016 88 HB2 CYS 11 2HB CYS 11 -0.953 2.457 2.946 89 HB3 CYS 11 1HB CYS 11 -1.725 4.031 2.951 90 H PHE 12 H PHE 12 -4.106 1.914 -0.061 91 HA PHE 12 HA PHE 12 -5.545 4.427 -0.296 92 HB2 PHE 12 2HB PHE 12 -6.159 1.691 -1.458 93 HB3 PHE 12 1HB PHE 12 -7.060 3.159 -1.791 94 HD1 PHE 12 1HD PHE 12 -4.345 1.088 -2.791 95 HD2 PHE 12 2HD PHE 12 -5.793 5.089 -2.899 96 HE1 PHE 12 1HE PHE 12 -2.866 1.573 -4.694 97 HE2 PHE 12 2HE PHE 12 -4.313 5.578 -4.797 98 HZ PHE 12 HZ PHE 12 -2.852 3.824 -5.698 99 HA PRO 13 HA PRO 13 -8.007 3.500 3.332 100 HB2 PRO 13 2HB PRO 13 -10.124 5.131 2.766 101 HB3 PRO 13 1HB PRO 13 -8.570 5.715 3.369 102 HG2 PRO 13 2HG PRO 13 -9.582 5.597 0.551 103 HG3 PRO 13 1HG PRO 13 -8.763 6.931 1.384 104 HD2 PRO 13 2HD PRO 13 -7.440 5.336 -0.287 105 HD3 PRO 13 1HD PRO 13 -6.677 5.921 1.210 106 H ASP 14 H ASP 14 -8.445 1.919 0.789 107 HA ASP 14 HA ASP 14 -11.235 1.052 1.176 108 HB2 ASP 14 2HB ASP 14 -10.601 1.639 -1.147 109 HB3 ASP 14 1HB ASP 14 -9.292 0.470 -1.084 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -8.040 0.534 1.714 2 HA2 GLY 1 2HA GLY 1 -7.622 -1.226 3.289 3 HA3 GLY 1 1HA GLY 1 -8.924 -2.149 2.546 4 H ARG 2 H ARG 2 -6.727 -0.388 0.592 5 HA ARG 2 HA ARG 2 -5.454 -2.907 -0.220 6 HB2 ARG 2 2HB ARG 2 -5.926 -0.465 -1.961 7 HB3 ARG 2 1HB ARG 2 -5.292 -2.022 -2.481 8 HG2 ARG 2 2HG ARG 2 -7.437 -3.072 -1.982 9 HG3 ARG 2 1HG ARG 2 -8.071 -1.524 -1.433 10 HD2 ARG 2 2HD ARG 2 -7.640 -0.623 -3.717 11 HD3 ARG 2 1HD ARG 2 -7.205 -2.262 -4.226 12 HE ARG 2 HE ARG 2 -9.788 -1.819 -2.957 13 HH11 ARG 2 1HH1 ARG 2 -8.039 -2.411 -6.006 14 HH12 ARG 2 2HH1 ARG 2 -9.419 -2.940 -6.845 15 HH21 ARG 2 1HH2 ARG 2 -11.640 -2.577 -4.114 16 HH22 ARG 2 2HH2 ARG 2 -11.527 -3.048 -5.743 17 H CYS 3 H CYS 3 -3.735 -2.676 1.177 18 HA CYS 3 HA CYS 3 -2.069 -0.334 0.713 19 HB2 CYS 3 2HB CYS 3 -2.586 -1.647 3.390 20 HB3 CYS 3 1HB CYS 3 -1.500 -0.287 3.099 21 H TYR 4 H TYR 4 -0.095 -0.734 0.219 22 HA TYR 4 HA TYR 4 0.801 -3.514 0.248 23 HB2 TYR 4 2HB TYR 4 1.828 -1.172 -1.377 24 HB3 TYR 4 1HB TYR 4 2.244 -2.868 -1.594 25 HD1 TYR 4 1HD TYR 4 -0.220 -0.271 -2.254 26 HD2 TYR 4 2HD TYR 4 0.575 -4.441 -2.536 27 HE1 TYR 4 1HE TYR 4 -2.109 -0.518 -3.788 28 HE2 TYR 4 2HE TYR 4 -1.308 -4.697 -4.073 29 HH TYR 4 HH TYR 4 -3.378 -3.557 -4.613 30 H LYS 5 H LYS 5 2.381 -4.005 1.617 31 HA LYS 5 HA LYS 5 3.619 -1.900 3.136 32 HB2 LYS 5 2HB LYS 5 3.960 -4.901 3.317 33 HB3 LYS 5 1HB LYS 5 4.706 -3.750 4.410 34 HG2 LYS 5 2HG LYS 5 2.461 -2.998 5.106 35 HG3 LYS 5 1HG LYS 5 1.753 -4.224 4.057 36 HD2 LYS 5 2HD LYS 5 2.917 -5.970 5.342 37 HD3 LYS 5 1HD LYS 5 3.596 -4.731 6.395 38 HE2 LYS 5 2HE LYS 5 1.688 -5.722 7.491 39 HE3 LYS 5 1HE LYS 5 1.293 -4.073 7.026 40 HZ1 LYS 5 1HZ LYS 5 0.473 -6.513 5.538 41 HZ2 LYS 5 2HZ LYS 5 0.061 -4.941 5.121 42 HZ3 LYS 5 3HZ LYS 5 -0.512 -5.608 6.538 43 H SER 6 H SER 6 4.682 -0.930 1.433 44 HA SER 6 HA SER 6 7.368 -1.885 1.103 45 HB2 SER 6 2HB SER 6 5.566 -1.268 -1.262 46 HB3 SER 6 1HB SER 6 7.315 -1.515 -1.372 47 HG SER 6 HG SER 6 6.037 -3.460 0.004 48 H LYS 7 H LYS 7 8.426 0.044 -0.416 49 HA LYS 7 HA LYS 7 7.542 2.546 0.850 50 HB2 LYS 7 2HB LYS 7 10.369 1.625 0.265 51 HB3 LYS 7 1HB LYS 7 9.909 3.120 1.069 52 HG2 LYS 7 2HG LYS 7 9.059 1.927 2.955 53 HG3 LYS 7 1HG LYS 7 9.266 0.389 2.128 54 HD2 LYS 7 2HD LYS 7 11.705 0.769 2.104 55 HD3 LYS 7 1HD LYS 7 11.451 2.257 3.029 56 HE2 LYS 7 2HE LYS 7 10.435 0.990 4.832 57 HE3 LYS 7 1HE LYS 7 10.600 -0.497 3.906 58 HZ1 LYS 7 1HZ LYS 7 12.839 1.179 4.891 59 HZ2 LYS 7 2HZ LYS 7 12.995 -0.268 4.027 60 HZ3 LYS 7 3HZ LYS 7 12.312 -0.275 5.559 61 HA PRO 8 HA PRO 8 7.391 4.748 0.441 62 HB2 PRO 8 2HB PRO 8 5.373 5.677 -1.497 63 HB3 PRO 8 1HB PRO 8 6.518 6.630 -0.552 64 HG2 PRO 8 2HG PRO 8 6.827 6.345 -3.179 65 HG3 PRO 8 1HG PRO 8 8.226 6.334 -2.090 66 HD2 PRO 8 2HD PRO 8 6.799 4.009 -3.342 67 HD3 PRO 8 1HD PRO 8 8.544 4.324 -3.228 68 HA PRO 9 HA PRO 9 4.016 2.214 1.689 69 HB2 PRO 9 2HB PRO 9 2.778 3.877 3.473 70 HB3 PRO 9 1HB PRO 9 4.262 2.984 3.822 71 HG2 PRO 9 2HG PRO 9 3.909 5.839 3.036 72 HG3 PRO 9 1HG PRO 9 5.023 5.134 4.220 73 HD2 PRO 9 2HD PRO 9 5.804 5.878 1.731 74 HD3 PRO 9 1HD PRO 9 6.551 4.528 2.608 75 H ILE 10 H ILE 10 2.854 2.078 -0.184 76 HA ILE 10 HA ILE 10 0.847 4.071 -0.786 77 HB ILE 10 HB ILE 10 1.380 1.388 -2.121 78 HG12 ILE 10 2HG1 ILE 10 2.203 4.178 -2.970 79 HG13 ILE 10 1HG1 ILE 10 3.280 2.966 -2.296 80 HG21 ILE 10 1HG2 ILE 10 0.030 2.289 -3.971 81 HG22 ILE 10 2HG2 ILE 10 -0.284 3.745 -3.031 82 HG23 ILE 10 3HG2 ILE 10 -0.908 2.192 -2.480 83 HD11 ILE 10 1HD1 ILE 10 3.508 3.112 -4.703 84 HD12 ILE 10 2HD1 ILE 10 1.794 2.763 -4.903 85 HD13 ILE 10 3HD1 ILE 10 2.871 1.535 -4.237 86 H CYS 11 H CYS 11 -0.818 4.061 0.565 87 HA CYS 11 HA CYS 11 -2.116 1.517 1.119 88 HB2 CYS 11 2HB CYS 11 -0.771 2.068 3.074 89 HB3 CYS 11 1HB CYS 11 -1.491 3.666 3.139 90 H PHE 12 H PHE 12 -3.934 1.699 0.046 91 HA PHE 12 HA PHE 12 -5.319 4.229 -0.025 92 HB2 PHE 12 2HB PHE 12 -5.997 1.560 -1.284 93 HB3 PHE 12 1HB PHE 12 -6.921 3.036 -1.507 94 HD1 PHE 12 1HD PHE 12 -4.143 1.089 -2.646 95 HD2 PHE 12 2HD PHE 12 -5.778 5.010 -2.580 96 HE1 PHE 12 1HE PHE 12 -2.713 1.713 -4.543 97 HE2 PHE 12 2HE PHE 12 -4.358 5.643 -4.468 98 HZ PHE 12 HZ PHE 12 -2.815 3.994 -5.460 99 HA PRO 13 HA PRO 13 -7.659 3.277 3.583 100 HB2 PRO 13 2HB PRO 13 -9.801 4.949 3.094 101 HB3 PRO 13 1HB PRO 13 -8.262 5.470 3.780 102 HG2 PRO 13 2HG PRO 13 -9.239 5.648 0.969 103 HG3 PRO 13 1HG PRO 13 -8.289 6.816 1.900 104 HD2 PRO 13 2HD PRO 13 -7.185 5.195 0.039 105 HD3 PRO 13 1HD PRO 13 -6.308 5.703 1.494 106 H ASP 14 H ASP 14 -8.672 2.589 0.474 107 HA ASP 14 HA ASP 14 -11.225 1.397 0.943 108 HB2 ASP 14 2HB ASP 14 -10.365 1.973 -1.320 109 HB3 ASP 14 1HB ASP 14 -9.160 0.703 -1.164 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -8.079 0.765 1.672 2 HA2 GLY 1 2HA GLY 1 -7.227 0.013 3.842 3 HA3 GLY 1 1HA GLY 1 -8.390 -1.310 3.745 4 H ARG 2 H ARG 2 -6.472 -0.071 1.091 5 HA ARG 2 HA ARG 2 -5.299 -2.764 0.832 6 HB2 ARG 2 2HB ARG 2 -5.031 -0.693 -1.301 7 HB3 ARG 2 1HB ARG 2 -5.087 -2.428 -1.455 8 HG2 ARG 2 2HG ARG 2 -7.500 -2.399 -1.130 9 HG3 ARG 2 1HG ARG 2 -7.452 -0.640 -0.923 10 HD2 ARG 2 2HD ARG 2 -6.195 -0.677 -3.198 11 HD3 ARG 2 1HD ARG 2 -6.917 -2.274 -3.368 12 HE ARG 2 HE ARG 2 -9.052 -0.776 -2.801 13 HH11 ARG 2 1HH1 ARG 2 -6.471 -0.365 -5.199 14 HH12 ARG 2 2HH1 ARG 2 -7.420 0.640 -6.210 15 HH21 ARG 2 1HH2 ARG 2 -10.262 0.595 -4.147 16 HH22 ARG 2 2HH2 ARG 2 -9.628 1.165 -5.643 17 H CYS 3 H CYS 3 -3.473 -2.508 2.171 18 HA CYS 3 HA CYS 3 -1.748 -0.265 1.447 19 HB2 CYS 3 2HB CYS 3 -1.871 -1.896 3.982 20 HB3 CYS 3 1HB CYS 3 -0.592 -0.741 3.622 21 H TYR 4 H TYR 4 0.025 -0.642 0.414 22 HA TYR 4 HA TYR 4 0.793 -3.423 0.120 23 HB2 TYR 4 2HB TYR 4 1.507 -0.993 -1.496 24 HB3 TYR 4 1HB TYR 4 2.306 -2.545 -1.707 25 HD1 TYR 4 1HD TYR 4 -0.456 -0.532 -2.665 26 HD2 TYR 4 2HD TYR 4 0.793 -4.566 -2.208 27 HE1 TYR 4 1HE TYR 4 -2.240 -1.258 -4.190 28 HE2 TYR 4 2HE TYR 4 -0.972 -5.300 -3.725 29 HH TYR 4 HH TYR 4 -2.595 -3.283 -5.738 30 H LYS 5 H LYS 5 2.796 -4.150 0.446 31 HA LYS 5 HA LYS 5 4.395 -2.720 2.369 32 HB2 LYS 5 2HB LYS 5 4.692 -5.451 1.102 33 HB3 LYS 5 1HB LYS 5 5.733 -4.819 2.369 34 HG2 LYS 5 2HG LYS 5 3.949 -4.822 3.943 35 HG3 LYS 5 1HG LYS 5 2.764 -5.164 2.681 36 HD2 LYS 5 2HD LYS 5 3.818 -7.348 2.300 37 HD3 LYS 5 1HD LYS 5 4.987 -6.998 3.575 38 HE2 LYS 5 2HE LYS 5 3.253 -6.939 5.226 39 HE3 LYS 5 1HE LYS 5 2.004 -7.070 3.994 40 HZ1 LYS 5 1HZ LYS 5 4.035 -9.157 4.589 41 HZ2 LYS 5 2HZ LYS 5 2.768 -9.274 3.469 42 HZ3 LYS 5 3HZ LYS 5 2.427 -9.188 5.096 43 H SER 6 H SER 6 5.098 -1.050 1.147 44 HA SER 6 HA SER 6 7.202 -1.613 -0.774 45 HB2 SER 6 2HB SER 6 4.902 0.313 -1.262 46 HB3 SER 6 1HB SER 6 6.257 0.007 -2.347 47 HG SER 6 HG SER 6 5.312 -2.316 -1.937 48 H LYS 7 H LYS 7 8.269 0.658 -1.204 49 HA LYS 7 HA LYS 7 7.975 2.298 1.187 50 HB2 LYS 7 2HB LYS 7 10.113 1.068 1.188 51 HB3 LYS 7 1HB LYS 7 10.511 1.771 -0.375 52 HG2 LYS 7 2HG LYS 7 10.539 3.986 0.601 53 HG3 LYS 7 1HG LYS 7 10.067 3.311 2.161 54 HD2 LYS 7 2HD LYS 7 12.137 2.019 2.223 55 HD3 LYS 7 1HD LYS 7 12.607 2.703 0.666 56 HE2 LYS 7 2HE LYS 7 13.693 3.872 2.512 57 HE3 LYS 7 1HE LYS 7 12.599 4.931 1.623 58 HZ1 LYS 7 1HZ LYS 7 11.979 3.617 4.219 59 HZ2 LYS 7 2HZ LYS 7 10.958 4.654 3.350 60 HZ3 LYS 7 3HZ LYS 7 12.398 5.236 3.982 61 HA PRO 8 HA PRO 8 7.267 4.053 1.803 62 HB2 PRO 8 2HB PRO 8 5.172 5.733 1.532 63 HB3 PRO 8 1HB PRO 8 6.835 6.334 1.549 64 HG2 PRO 8 2HG PRO 8 5.066 5.754 -0.798 65 HG3 PRO 8 1HG PRO 8 6.036 7.202 -0.470 66 HD2 PRO 8 2HD PRO 8 6.901 5.264 -2.121 67 HD3 PRO 8 1HD PRO 8 8.016 6.165 -1.076 68 HA PRO 9 HA PRO 9 3.893 1.134 1.441 69 HB2 PRO 9 2HB PRO 9 2.646 2.057 3.917 70 HB3 PRO 9 1HB PRO 9 3.498 0.543 3.612 71 HG2 PRO 9 2HG PRO 9 4.500 2.494 5.212 72 HG3 PRO 9 1HG PRO 9 5.523 1.392 4.276 73 HD2 PRO 9 2HD PRO 9 4.747 4.221 3.680 74 HD3 PRO 9 1HD PRO 9 6.316 3.412 3.476 75 H ILE 10 H ILE 10 2.658 1.807 -0.189 76 HA ILE 10 HA ILE 10 0.969 4.115 0.022 77 HB ILE 10 HB ILE 10 1.192 2.048 -2.189 78 HG12 ILE 10 2HG1 ILE 10 2.418 4.809 -1.949 79 HG13 ILE 10 1HG1 ILE 10 3.285 3.294 -1.745 80 HG21 ILE 10 1HG2 ILE 10 -0.106 4.782 -2.191 81 HG22 ILE 10 2HG2 ILE 10 -0.953 3.237 -2.256 82 HG23 ILE 10 3HG2 ILE 10 0.079 3.735 -3.598 83 HD11 ILE 10 1HD1 ILE 10 1.952 4.249 -4.263 84 HD12 ILE 10 2HD1 ILE 10 2.831 2.732 -4.071 85 HD13 ILE 10 3HD1 ILE 10 3.684 4.271 -3.929 86 H CYS 11 H CYS 11 -1.037 4.127 0.713 87 HA CYS 11 HA CYS 11 -2.463 1.600 0.870 88 HB2 CYS 11 2HB CYS 11 -2.567 3.993 2.713 89 HB3 CYS 11 1HB CYS 11 -3.722 2.668 2.766 90 H PHE 12 H PHE 12 -4.371 1.510 0.032 91 HA PHE 12 HA PHE 12 -5.495 3.918 -1.188 92 HB2 PHE 12 2HB PHE 12 -6.117 0.997 -1.721 93 HB3 PHE 12 1HB PHE 12 -6.905 2.346 -2.500 94 HD1 PHE 12 1HD PHE 12 -6.095 3.196 -4.489 95 HD2 PHE 12 2HD PHE 12 -3.532 0.795 -2.084 96 HE1 PHE 12 1HE PHE 12 -4.429 3.170 -6.292 97 HE2 PHE 12 2HE PHE 12 -1.863 0.778 -3.888 98 HZ PHE 12 HZ PHE 12 -2.310 1.952 -5.988 99 HA PRO 13 HA PRO 13 -8.369 4.675 2.052 100 HB2 PRO 13 2HB PRO 13 -10.240 4.604 -0.271 101 HB3 PRO 13 1HB PRO 13 -10.190 5.727 1.092 102 HG2 PRO 13 2HG PRO 13 -9.071 6.377 -1.239 103 HG3 PRO 13 1HG PRO 13 -8.325 6.831 0.298 104 HD2 PRO 13 2HD PRO 13 -7.428 4.840 -1.689 105 HD3 PRO 13 1HD PRO 13 -6.514 5.663 -0.409 106 H ASP 14 H ASP 14 -9.279 2.079 -0.174 107 HA ASP 14 HA ASP 14 -11.455 1.044 1.354 108 HB2 ASP 14 2HB ASP 14 -9.644 -0.462 -0.552 109 HB3 ASP 14 1HB ASP 14 -11.146 -1.082 0.111 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -8.257 0.616 1.503 2 HA2 GLY 1 2HA GLY 1 -8.507 -1.007 3.364 3 HA3 GLY 1 1HA GLY 1 -9.495 -1.960 2.270 4 H ARG 2 H ARG 2 -7.391 -1.003 0.186 5 HA ARG 2 HA ARG 2 -5.657 -3.313 0.561 6 HB2 ARG 2 2HB ARG 2 -5.995 -1.390 -1.727 7 HB3 ARG 2 1HB ARG 2 -4.869 -2.735 -1.726 8 HG2 ARG 2 2HG ARG 2 -6.664 -4.311 -1.647 9 HG3 ARG 2 1HG ARG 2 -7.847 -3.014 -1.433 10 HD2 ARG 2 2HD ARG 2 -7.272 -2.106 -3.599 11 HD3 ARG 2 1HD ARG 2 -6.049 -3.354 -3.822 12 HE ARG 2 HE ARG 2 -7.743 -4.933 -4.063 13 HH11 ARG 2 1HH1 ARG 2 -9.086 -1.680 -3.629 14 HH12 ARG 2 2HH1 ARG 2 -10.450 -1.946 -4.611 15 HH21 ARG 2 1HH2 ARG 2 -9.683 -5.329 -5.361 16 HH22 ARG 2 2HH2 ARG 2 -10.818 -4.088 -5.600 17 H CYS 3 H CYS 3 -3.765 -3.006 1.598 18 HA CYS 3 HA CYS 3 -2.338 -0.563 0.999 19 HB2 CYS 3 2HB CYS 3 -2.635 -1.735 3.783 20 HB3 CYS 3 1HB CYS 3 -1.659 -0.333 3.360 21 H TYR 4 H TYR 4 -0.262 -0.879 0.605 22 HA TYR 4 HA TYR 4 0.781 -3.574 1.021 23 HB2 TYR 4 2HB TYR 4 0.167 -3.412 -1.305 24 HB3 TYR 4 1HB TYR 4 0.944 -1.843 -1.450 25 HD1 TYR 4 1HD TYR 4 1.951 -5.273 -0.322 26 HD2 TYR 4 2HD TYR 4 2.870 -1.870 -2.681 27 HE1 TYR 4 1HE TYR 4 4.009 -6.359 -1.080 28 HE2 TYR 4 2HE TYR 4 4.917 -2.940 -3.448 29 HH TYR 4 HH TYR 4 6.485 -4.697 -2.667 30 H LYS 5 H LYS 5 2.722 -3.671 1.902 31 HA LYS 5 HA LYS 5 3.957 -1.215 2.718 32 HB2 LYS 5 2HB LYS 5 4.704 -4.089 3.295 33 HB3 LYS 5 1HB LYS 5 5.481 -2.682 4.011 34 HG2 LYS 5 2HG LYS 5 3.385 -2.028 5.055 35 HG3 LYS 5 1HG LYS 5 2.572 -3.409 4.315 36 HD2 LYS 5 2HD LYS 5 4.017 -4.928 5.565 37 HD3 LYS 5 1HD LYS 5 4.864 -3.553 6.274 38 HE2 LYS 5 2HE LYS 5 3.245 -4.426 7.846 39 HE3 LYS 5 1HE LYS 5 2.766 -2.816 7.324 40 HZ1 LYS 5 1HZ LYS 5 1.148 -3.869 5.800 41 HZ2 LYS 5 2HZ LYS 5 0.882 -4.322 7.399 42 HZ3 LYS 5 3HZ LYS 5 1.635 -5.384 6.349 43 H SER 6 H SER 6 4.802 -0.296 1.057 44 HA SER 6 HA SER 6 6.912 -1.645 -0.460 45 HB2 SER 6 2HB SER 6 4.855 -1.210 -1.791 46 HB3 SER 6 1HB SER 6 4.938 0.490 -1.348 47 HG SER 6 HG SER 6 6.579 -1.007 -3.070 48 H LYS 7 H LYS 7 8.111 0.406 -1.563 49 HA LYS 7 HA LYS 7 8.553 2.437 0.500 50 HB2 LYS 7 2HB LYS 7 10.580 1.299 -1.455 51 HB3 LYS 7 1HB LYS 7 10.894 2.569 -0.283 52 HG2 LYS 7 2HG LYS 7 10.503 1.005 1.538 53 HG3 LYS 7 1HG LYS 7 10.140 -0.270 0.381 54 HD2 LYS 7 2HD LYS 7 12.423 -0.041 -0.534 55 HD3 LYS 7 1HD LYS 7 12.772 1.170 0.700 56 HE2 LYS 7 2HE LYS 7 12.289 -0.490 2.443 57 HE3 LYS 7 1HE LYS 7 11.986 -1.698 1.199 58 HZ1 LYS 7 1HZ LYS 7 14.208 -1.922 2.062 59 HZ2 LYS 7 2HZ LYS 7 14.575 -0.324 1.702 60 HZ3 LYS 7 3HZ LYS 7 14.271 -1.424 0.458 61 HA PRO 8 HA PRO 8 7.831 4.264 0.808 62 HB2 PRO 8 2HB PRO 8 5.850 6.038 0.465 63 HB3 PRO 8 1HB PRO 8 7.538 6.483 0.186 64 HG2 PRO 8 2HG PRO 8 5.441 5.691 -1.805 65 HG3 PRO 8 1HG PRO 8 6.575 7.054 -1.871 66 HD2 PRO 8 2HD PRO 8 7.015 4.735 -3.187 67 HD3 PRO 8 1HD PRO 8 8.334 5.726 -2.532 68 HA PRO 9 HA PRO 9 4.371 1.546 1.599 69 HB2 PRO 9 2HB PRO 9 3.467 3.466 3.672 70 HB3 PRO 9 1HB PRO 9 3.889 1.757 3.832 71 HG2 PRO 9 2HG PRO 9 5.522 3.646 4.752 72 HG3 PRO 9 1HG PRO 9 6.159 2.191 3.959 73 HD2 PRO 9 2HD PRO 9 5.840 4.960 2.865 74 HD3 PRO 9 1HD PRO 9 7.180 3.809 2.666 75 H ILE 10 H ILE 10 2.407 1.347 0.693 76 HA ILE 10 HA ILE 10 0.966 3.809 0.136 77 HB ILE 10 HB ILE 10 0.160 2.712 -1.987 78 HG12 ILE 10 2HG1 ILE 10 2.438 0.776 -1.439 79 HG13 ILE 10 1HG1 ILE 10 0.726 0.374 -1.384 80 HG21 ILE 10 1HG2 ILE 10 1.868 4.439 -2.027 81 HG22 ILE 10 2HG2 ILE 10 2.211 3.220 -3.256 82 HG23 ILE 10 3HG2 ILE 10 3.122 3.232 -1.748 83 HD11 ILE 10 1HD1 ILE 10 0.547 0.880 -3.766 84 HD12 ILE 10 2HD1 ILE 10 1.726 -0.390 -3.454 85 HD13 ILE 10 3HD1 ILE 10 2.268 1.255 -3.808 86 H CYS 11 H CYS 11 -0.688 3.822 1.444 87 HA CYS 11 HA CYS 11 -2.195 1.339 1.748 88 HB2 CYS 11 2HB CYS 11 -1.062 2.227 3.813 89 HB3 CYS 11 1HB CYS 11 -2.057 3.666 3.673 90 H PHE 12 H PHE 12 -3.990 1.396 0.658 91 HA PHE 12 HA PHE 12 -5.007 3.940 -0.218 92 HB2 PHE 12 2HB PHE 12 -5.697 1.121 -1.076 93 HB3 PHE 12 1HB PHE 12 -6.306 2.591 -1.819 94 HD1 PHE 12 1HD PHE 12 -3.439 0.370 -1.476 95 HD2 PHE 12 2HD PHE 12 -4.871 3.969 -3.199 96 HE1 PHE 12 1HE PHE 12 -1.495 0.410 -2.981 97 HE2 PHE 12 2HE PHE 12 -2.930 4.025 -4.710 98 HZ PHE 12 HZ PHE 12 -1.240 2.246 -4.602 99 HA PRO 13 HA PRO 13 -8.052 3.976 2.928 100 HB2 PRO 13 2HB PRO 13 -9.957 5.460 1.554 101 HB3 PRO 13 1HB PRO 13 -8.599 6.126 2.465 102 HG2 PRO 13 2HG PRO 13 -8.870 5.659 -0.464 103 HG3 PRO 13 1HG PRO 13 -8.093 6.999 0.389 104 HD2 PRO 13 2HD PRO 13 -6.666 5.029 -0.737 105 HD3 PRO 13 1HD PRO 13 -6.154 5.794 0.781 106 H ASP 14 H ASP 14 -8.615 2.546 -0.129 107 HA ASP 14 HA ASP 14 -11.282 1.668 0.461 108 HB2 ASP 14 2HB ASP 14 -11.196 0.345 -1.595 109 HB3 ASP 14 1HB ASP 14 -10.638 1.981 -1.890 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -7.974 0.744 1.988 2 HA2 GLY 1 2HA GLY 1 -7.162 -0.176 4.075 3 HA3 GLY 1 1HA GLY 1 -8.384 -1.445 3.921 4 H ARG 2 H ARG 2 -6.234 -0.099 1.548 5 HA ARG 2 HA ARG 2 -5.117 -2.782 1.170 6 HB2 ARG 2 2HB ARG 2 -6.856 -2.183 -0.509 7 HB3 ARG 2 1HB ARG 2 -5.879 -0.806 -0.970 8 HG2 ARG 2 2HG ARG 2 -4.118 -2.295 -1.738 9 HG3 ARG 2 1HG ARG 2 -5.078 -3.697 -1.251 10 HD2 ARG 2 2HD ARG 2 -5.790 -1.634 -3.336 11 HD3 ARG 2 1HD ARG 2 -5.385 -3.327 -3.618 12 HE ARG 2 HE ARG 2 -7.473 -3.602 -2.036 13 HH11 ARG 2 1HH1 ARG 2 -7.053 -1.468 -4.824 14 HH12 ARG 2 2HH1 ARG 2 -8.704 -1.410 -5.235 15 HH21 ARG 2 1HH2 ARG 2 -9.816 -3.512 -2.600 16 HH22 ARG 2 2HH2 ARG 2 -10.290 -2.595 -3.946 17 H CYS 3 H CYS 3 -3.221 -2.308 2.185 18 HA CYS 3 HA CYS 3 -1.660 -0.093 1.113 19 HB2 CYS 3 2HB CYS 3 -1.410 -1.635 3.691 20 HB3 CYS 3 1HB CYS 3 -0.172 -0.532 3.107 21 H TYR 4 H TYR 4 -0.061 -0.483 -0.140 22 HA TYR 4 HA TYR 4 0.806 -3.212 -0.544 23 HB2 TYR 4 2HB TYR 4 1.456 -0.642 -2.005 24 HB3 TYR 4 1HB TYR 4 2.118 -2.219 -2.435 25 HD1 TYR 4 1HD TYR 4 -0.921 -0.147 -2.385 26 HD2 TYR 4 2HD TYR 4 0.752 -3.895 -3.481 27 HE1 TYR 4 1HE TYR 4 -2.921 -0.649 -3.709 28 HE2 TYR 4 2HE TYR 4 -1.235 -4.393 -4.809 29 HH TYR 4 HH TYR 4 -3.514 -2.111 -5.647 30 H LYS 5 H LYS 5 2.277 -3.938 0.738 31 HA LYS 5 HA LYS 5 3.849 -2.284 2.387 32 HB2 LYS 5 2HB LYS 5 4.040 -5.244 1.876 33 HB3 LYS 5 1HB LYS 5 4.992 -4.389 3.078 34 HG2 LYS 5 2HG LYS 5 1.992 -4.660 3.029 35 HG3 LYS 5 1HG LYS 5 3.108 -5.494 4.111 36 HD2 LYS 5 2HD LYS 5 3.838 -3.196 4.916 37 HD3 LYS 5 1HD LYS 5 2.474 -2.547 4.012 38 HE2 LYS 5 2HE LYS 5 1.848 -2.847 6.338 39 HE3 LYS 5 1HE LYS 5 0.947 -3.963 5.320 40 HZ1 LYS 5 1HZ LYS 5 1.831 -5.019 7.345 41 HZ2 LYS 5 2HZ LYS 5 3.395 -4.702 6.842 42 HZ3 LYS 5 3HZ LYS 5 2.413 -5.730 5.947 43 H SER 6 H SER 6 4.991 -0.957 1.228 44 HA SER 6 HA SER 6 7.573 -1.853 0.362 45 HB2 SER 6 2HB SER 6 5.696 -0.201 -1.375 46 HB3 SER 6 1HB SER 6 7.384 -0.531 -1.757 47 HG SER 6 HG SER 6 6.081 -2.793 -1.186 48 H LYS 7 H LYS 7 8.756 0.459 -0.105 49 HA LYS 7 HA LYS 7 7.612 2.357 1.793 50 HB2 LYS 7 2HB LYS 7 10.548 1.706 1.429 51 HB3 LYS 7 1HB LYS 7 9.955 3.049 2.390 52 HG2 LYS 7 2HG LYS 7 9.473 0.118 2.927 53 HG3 LYS 7 1HG LYS 7 10.598 1.163 3.791 54 HD2 LYS 7 2HD LYS 7 8.695 2.545 4.552 55 HD3 LYS 7 1HD LYS 7 7.588 1.463 3.706 56 HE2 LYS 7 2HE LYS 7 8.429 -0.410 5.115 57 HE3 LYS 7 1HE LYS 7 9.401 0.753 6.010 58 HZ1 LYS 7 1HZ LYS 7 6.431 0.764 5.819 59 HZ2 LYS 7 2HZ LYS 7 7.344 1.883 6.682 60 HZ3 LYS 7 3HZ LYS 7 7.329 0.285 7.150 61 HA PRO 8 HA PRO 8 6.794 4.113 1.926 62 HB2 PRO 8 2HB PRO 8 5.018 5.788 0.826 63 HB3 PRO 8 1HB PRO 8 6.605 6.356 1.357 64 HG2 PRO 8 2HG PRO 8 5.657 5.674 -1.397 65 HG3 PRO 8 1HG PRO 8 6.640 7.049 -0.866 66 HD2 PRO 8 2HD PRO 8 7.680 4.796 -2.010 67 HD3 PRO 8 1HD PRO 8 8.580 5.824 -0.881 68 HA PRO 9 HA PRO 9 3.723 1.145 0.643 69 HB2 PRO 9 2HB PRO 9 1.969 1.401 2.702 70 HB3 PRO 9 1HB PRO 9 3.507 0.550 2.861 71 HG2 PRO 9 2HG PRO 9 2.771 3.313 3.709 72 HG3 PRO 9 1HG PRO 9 3.786 2.120 4.537 73 HD2 PRO 9 2HD PRO 9 4.788 4.212 3.104 74 HD3 PRO 9 1HD PRO 9 5.646 2.675 3.321 75 H ILE 10 H ILE 10 2.378 1.514 -0.935 76 HA ILE 10 HA ILE 10 0.857 3.940 -1.102 77 HB ILE 10 HB ILE 10 0.769 1.465 -2.875 78 HG12 ILE 10 2HG1 ILE 10 2.242 4.088 -3.266 79 HG13 ILE 10 1HG1 ILE 10 2.991 2.563 -2.818 80 HG21 ILE 10 1HG2 ILE 10 -0.296 2.952 -4.526 81 HG22 ILE 10 2HG2 ILE 10 -0.290 4.260 -3.341 82 HG23 ILE 10 3HG2 ILE 10 -1.262 2.817 -3.058 83 HD11 ILE 10 1HD1 ILE 10 1.558 3.136 -5.406 84 HD12 ILE 10 2HD1 ILE 10 2.327 1.609 -4.964 85 HD13 ILE 10 3HD1 ILE 10 3.305 3.059 -5.177 86 H CYS 11 H CYS 11 -0.792 4.114 0.219 87 HA CYS 11 HA CYS 11 -2.432 1.758 0.747 88 HB2 CYS 11 2HB CYS 11 -2.030 4.247 2.388 89 HB3 CYS 11 1HB CYS 11 -3.249 3.033 2.744 90 H PHE 12 H PHE 12 -4.287 1.630 -0.030 91 HA PHE 12 HA PHE 12 -5.658 4.005 -0.974 92 HB2 PHE 12 2HB PHE 12 -6.175 1.083 -1.561 93 HB3 PHE 12 1HB PHE 12 -7.212 2.383 -2.084 94 HD1 PHE 12 1HD PHE 12 -6.729 3.709 -3.956 95 HD2 PHE 12 2HD PHE 12 -3.841 0.942 -2.507 96 HE1 PHE 12 1HE PHE 12 -5.419 4.018 -6.003 97 HE2 PHE 12 2HE PHE 12 -2.520 1.255 -4.572 98 HZ PHE 12 HZ PHE 12 -3.317 2.793 -6.315 99 HA PRO 13 HA PRO 13 -8.232 4.424 2.593 100 HB2 PRO 13 2HB PRO 13 -10.283 4.769 0.446 101 HB3 PRO 13 1HB PRO 13 -10.007 5.739 1.899 102 HG2 PRO 13 2HG PRO 13 -9.099 6.599 -0.433 103 HG3 PRO 13 1HG PRO 13 -8.106 6.748 1.024 104 HD2 PRO 13 2HD PRO 13 -7.785 4.841 -1.266 105 HD3 PRO 13 1HD PRO 13 -6.584 5.596 -0.195 106 H ASP 14 H ASP 14 -9.089 2.123 0.129 107 HA ASP 14 HA ASP 14 -11.324 0.851 1.309 108 HB2 ASP 14 2HB ASP 14 -10.679 0.475 -1.017 109 HB3 ASP 14 1HB ASP 14 -9.160 -0.248 -0.506 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -8.140 0.714 1.578 2 HA2 GLY 1 2HA GLY 1 -7.546 -0.219 3.714 3 HA3 GLY 1 1HA GLY 1 -8.662 -1.548 3.390 4 H ARG 2 H ARG 2 -6.524 -0.211 1.029 5 HA ARG 2 HA ARG 2 -5.105 -2.785 0.920 6 HB2 ARG 2 2HB ARG 2 -5.624 -0.795 -1.309 7 HB3 ARG 2 1HB ARG 2 -4.713 -2.285 -1.478 8 HG2 ARG 2 2HG ARG 2 -6.669 -3.603 -1.074 9 HG3 ARG 2 1HG ARG 2 -7.602 -2.172 -0.647 10 HD2 ARG 2 2HD ARG 2 -8.205 -2.824 -2.868 11 HD3 ARG 2 1HD ARG 2 -7.275 -1.338 -2.965 12 HE ARG 2 HE ARG 2 -5.596 -3.592 -3.289 13 HH11 ARG 2 1HH1 ARG 2 -7.970 -1.609 -5.045 14 HH12 ARG 2 2HH1 ARG 2 -7.434 -2.053 -6.587 15 HH21 ARG 2 1HH2 ARG 2 -4.861 -4.229 -5.471 16 HH22 ARG 2 2HH2 ARG 2 -5.641 -3.575 -6.832 17 H CYS 3 H CYS 3 -3.404 -2.324 2.220 18 HA CYS 3 HA CYS 3 -1.740 -0.026 1.533 19 HB2 CYS 3 2HB CYS 3 -1.771 -1.790 3.994 20 HB3 CYS 3 1HB CYS 3 -0.584 -0.531 3.695 21 H TYR 4 H TYR 4 0.075 -0.357 0.497 22 HA TYR 4 HA TYR 4 0.886 -3.123 0.114 23 HB2 TYR 4 2HB TYR 4 1.559 -0.601 -1.404 24 HB3 TYR 4 1HB TYR 4 2.274 -2.175 -1.756 25 HD1 TYR 4 1HD TYR 4 -0.900 -0.257 -1.764 26 HD2 TYR 4 2HD TYR 4 1.051 -3.842 -2.921 27 HE1 TYR 4 1HE TYR 4 -2.817 -0.851 -3.155 28 HE2 TYR 4 2HE TYR 4 -0.855 -4.433 -4.320 29 HH TYR 4 HH TYR 4 -3.255 -2.240 -5.122 30 H LYS 5 H LYS 5 2.967 -3.780 0.501 31 HA LYS 5 HA LYS 5 4.181 -2.333 2.732 32 HB2 LYS 5 2HB LYS 5 4.800 -5.097 1.659 33 HB3 LYS 5 1HB LYS 5 5.344 -4.434 3.191 34 HG2 LYS 5 2HG LYS 5 2.484 -5.054 2.439 35 HG3 LYS 5 1HG LYS 5 3.506 -6.006 3.511 36 HD2 LYS 5 2HD LYS 5 2.750 -3.122 4.039 37 HD3 LYS 5 1HD LYS 5 1.834 -4.494 4.644 38 HE2 LYS 5 2HE LYS 5 4.759 -4.021 5.228 39 HE3 LYS 5 1HE LYS 5 3.450 -3.514 6.290 40 HZ1 LYS 5 1HZ LYS 5 2.788 -5.846 6.462 41 HZ2 LYS 5 2HZ LYS 5 4.337 -5.593 7.034 42 HZ3 LYS 5 3HZ LYS 5 4.110 -6.318 5.523 43 H SER 6 H SER 6 4.435 -1.363 0.080 44 HA SER 6 HA SER 6 7.022 -1.889 -0.964 45 HB2 SER 6 2HB SER 6 6.248 0.059 -2.438 46 HB3 SER 6 1HB SER 6 5.285 -1.421 -2.491 47 HG SER 6 HG SER 6 4.717 1.043 -1.234 48 H LYS 7 H LYS 7 8.117 0.416 -1.586 49 HA LYS 7 HA LYS 7 8.229 2.059 0.826 50 HB2 LYS 7 2HB LYS 7 10.313 0.763 0.590 51 HB3 LYS 7 1HB LYS 7 10.500 1.340 -1.055 52 HG2 LYS 7 2HG LYS 7 12.013 2.545 0.379 53 HG3 LYS 7 1HG LYS 7 10.765 3.641 -0.201 54 HD2 LYS 7 2HD LYS 7 11.159 4.095 2.131 55 HD3 LYS 7 1HD LYS 7 9.575 3.345 1.977 56 HE2 LYS 7 2HE LYS 7 10.769 2.420 3.881 57 HE3 LYS 7 1HE LYS 7 10.552 1.182 2.651 58 HZ1 LYS 7 1HZ LYS 7 12.854 1.565 1.939 59 HZ2 LYS 7 2HZ LYS 7 12.778 1.119 3.547 60 HZ3 LYS 7 3HZ LYS 7 13.053 2.730 3.138 61 HA PRO 8 HA PRO 8 7.440 3.781 1.429 62 HB2 PRO 8 2HB PRO 8 5.382 5.472 1.318 63 HB3 PRO 8 1HB PRO 8 7.038 6.058 1.143 64 HG2 PRO 8 2HG PRO 8 5.016 5.453 -0.978 65 HG3 PRO 8 1HG PRO 8 6.052 6.881 -0.810 66 HD2 PRO 8 2HD PRO 8 6.660 4.820 -2.470 67 HD3 PRO 8 1HD PRO 8 7.898 5.800 -1.663 68 HA PRO 9 HA PRO 9 3.861 1.011 1.407 69 HB2 PRO 9 2HB PRO 9 3.125 2.031 4.065 70 HB3 PRO 9 1HB PRO 9 3.664 0.410 3.618 71 HG2 PRO 9 2HG PRO 9 5.212 2.069 5.060 72 HG3 PRO 9 1HG PRO 9 5.894 0.935 3.882 73 HD2 PRO 9 2HD PRO 9 5.372 3.872 3.590 74 HD3 PRO 9 1HD PRO 9 6.790 2.914 3.097 75 H ILE 10 H ILE 10 2.354 1.748 0.082 76 HA ILE 10 HA ILE 10 0.996 4.235 0.696 77 HB ILE 10 HB ILE 10 1.906 4.014 -1.547 78 HG12 ILE 10 2HG1 ILE 10 -1.118 3.887 -1.695 79 HG13 ILE 10 1HG1 ILE 10 -0.210 5.315 -1.219 80 HG21 ILE 10 1HG2 ILE 10 1.035 2.410 -3.179 81 HG22 ILE 10 2HG2 ILE 10 0.121 1.629 -1.885 82 HG23 ILE 10 3HG2 ILE 10 1.886 1.642 -1.835 83 HD11 ILE 10 1HD1 ILE 10 -0.092 3.952 -3.903 84 HD12 ILE 10 2HD1 ILE 10 0.823 5.386 -3.437 85 HD13 ILE 10 3HD1 ILE 10 -0.937 5.455 -3.533 86 H CYS 11 H CYS 11 -1.110 4.374 1.216 87 HA CYS 11 HA CYS 11 -2.577 1.859 1.389 88 HB2 CYS 11 2HB CYS 11 -2.579 4.182 3.307 89 HB3 CYS 11 1HB CYS 11 -3.793 2.907 3.331 90 H PHE 12 H PHE 12 -4.161 1.741 0.125 91 HA PHE 12 HA PHE 12 -5.487 4.110 -0.884 92 HB2 PHE 12 2HB PHE 12 -5.780 1.182 -1.609 93 HB3 PHE 12 1HB PHE 12 -6.680 2.486 -2.373 94 HD1 PHE 12 1HD PHE 12 -3.372 0.933 -2.002 95 HD2 PHE 12 2HD PHE 12 -5.650 3.918 -3.989 96 HE1 PHE 12 1HE PHE 12 -1.561 1.224 -3.651 97 HE2 PHE 12 2HE PHE 12 -3.848 4.209 -5.629 98 HZ PHE 12 HZ PHE 12 -1.804 2.861 -5.458 99 HA PRO 13 HA PRO 13 -8.599 4.251 2.258 100 HB2 PRO 13 2HB PRO 13 -10.769 4.788 0.541 101 HB3 PRO 13 1HB PRO 13 -9.741 5.959 1.366 102 HG2 PRO 13 2HG PRO 13 -9.566 4.917 -1.422 103 HG3 PRO 13 1HG PRO 13 -9.221 6.543 -0.809 104 HD2 PRO 13 2HD PRO 13 -7.250 4.911 -1.466 105 HD3 PRO 13 1HD PRO 13 -7.117 5.912 -0.002 106 H ASP 14 H ASP 14 -9.047 2.070 -0.370 107 HA ASP 14 HA ASP 14 -11.375 0.693 0.507 108 HB2 ASP 14 2HB ASP 14 -10.526 0.417 -1.771 109 HB3 ASP 14 1HB ASP 14 -9.039 -0.291 -1.156 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -7.858 0.799 1.810 2 HA2 GLY 1 2HA GLY 1 -7.042 0.162 4.080 3 HA3 GLY 1 1HA GLY 1 -8.039 -1.276 3.914 4 H ARG 2 H ARG 2 -6.957 -0.830 0.956 5 HA ARG 2 HA ARG 2 -5.030 -2.927 1.152 6 HB2 ARG 2 2HB ARG 2 -6.514 -2.844 -0.757 7 HB3 ARG 2 1HB ARG 2 -5.939 -1.253 -1.197 8 HG2 ARG 2 2HG ARG 2 -5.030 -2.883 -2.698 9 HG3 ARG 2 1HG ARG 2 -3.729 -2.229 -1.712 10 HD2 ARG 2 2HD ARG 2 -3.748 -4.222 -0.316 11 HD3 ARG 2 1HD ARG 2 -5.121 -4.870 -1.220 12 HE ARG 2 HE ARG 2 -3.344 -4.508 -3.160 13 HH11 ARG 2 1HH1 ARG 2 -3.028 -6.174 -0.037 14 HH12 ARG 2 2HH1 ARG 2 -1.789 -7.211 -0.553 15 HH21 ARG 2 1HH2 ARG 2 -1.597 -5.988 -3.868 16 HH22 ARG 2 2HH2 ARG 2 -0.935 -7.065 -2.762 17 H CYS 3 H CYS 3 -3.284 -2.260 2.289 18 HA CYS 3 HA CYS 3 -1.745 -0.056 1.162 19 HB2 CYS 3 2HB CYS 3 -1.491 -1.447 3.839 20 HB3 CYS 3 1HB CYS 3 -0.424 -0.183 3.254 21 H TYR 4 H TYR 4 0.028 -0.428 0.139 22 HA TYR 4 HA TYR 4 0.866 -3.167 -0.208 23 HB2 TYR 4 2HB TYR 4 1.680 -0.584 -1.526 24 HB3 TYR 4 1HB TYR 4 2.530 -2.098 -1.822 25 HD1 TYR 4 1HD TYR 4 1.672 -3.699 -3.317 26 HD2 TYR 4 2HD TYR 4 -0.779 -0.432 -2.124 27 HE1 TYR 4 1HE TYR 4 0.040 -4.305 -5.024 28 HE2 TYR 4 2HE TYR 4 -2.419 -1.046 -3.835 29 HH TYR 4 HH TYR 4 -2.498 -2.236 -5.916 30 H LYS 5 H LYS 5 3.077 -3.762 0.007 31 HA LYS 5 HA LYS 5 4.065 -2.688 2.501 32 HB2 LYS 5 2HB LYS 5 4.743 -5.233 1.031 33 HB3 LYS 5 1HB LYS 5 5.361 -4.776 2.615 34 HG2 LYS 5 2HG LYS 5 3.070 -4.740 3.490 35 HG3 LYS 5 1HG LYS 5 2.470 -5.244 1.914 36 HD2 LYS 5 2HD LYS 5 2.584 -7.136 3.420 37 HD3 LYS 5 1HD LYS 5 3.765 -7.333 2.127 38 HE2 LYS 5 2HE LYS 5 5.548 -6.628 3.598 39 HE3 LYS 5 1HE LYS 5 4.391 -6.262 4.880 40 HZ1 LYS 5 1HZ LYS 5 3.826 -8.600 4.962 41 HZ2 LYS 5 2HZ LYS 5 5.467 -8.370 5.238 42 HZ3 LYS 5 3HZ LYS 5 4.939 -8.953 3.745 43 H SER 6 H SER 6 4.496 -1.786 -0.447 44 HA SER 6 HA SER 6 7.301 -1.772 -0.721 45 HB2 SER 6 2HB SER 6 6.720 0.008 -2.482 46 HB3 SER 6 1HB SER 6 6.028 -1.596 -2.720 47 HG SER 6 HG SER 6 4.283 -0.394 -2.947 48 H LYS 7 H LYS 7 8.547 0.342 -0.662 49 HA LYS 7 HA LYS 7 7.579 2.035 1.542 50 HB2 LYS 7 2HB LYS 7 10.393 1.526 0.558 51 HB3 LYS 7 1HB LYS 7 9.972 2.642 1.838 52 HG2 LYS 7 2HG LYS 7 9.463 -0.330 1.999 53 HG3 LYS 7 1HG LYS 7 10.955 0.428 2.539 54 HD2 LYS 7 2HD LYS 7 9.745 0.257 4.513 55 HD3 LYS 7 1HD LYS 7 9.386 1.897 4.004 56 HE2 LYS 7 2HE LYS 7 7.391 0.800 4.817 57 HE3 LYS 7 1HE LYS 7 7.200 1.098 3.103 58 HZ1 LYS 7 1HZ LYS 7 7.757 -1.264 2.698 59 HZ2 LYS 7 2HZ LYS 7 6.475 -1.128 3.765 60 HZ3 LYS 7 3HZ LYS 7 7.992 -1.470 4.345 61 HA PRO 8 HA PRO 8 7.004 3.845 2.159 62 HB2 PRO 8 2HB PRO 8 5.091 5.765 1.085 63 HB3 PRO 8 1HB PRO 8 6.318 6.021 2.328 64 HG2 PRO 8 2HG PRO 8 6.463 7.162 -0.130 65 HG3 PRO 8 1HG PRO 8 7.898 6.715 0.809 66 HD2 PRO 8 2HD PRO 8 6.568 5.238 -1.430 67 HD3 PRO 8 1HD PRO 8 8.297 5.553 -1.166 68 HA PRO 9 HA PRO 9 3.611 1.131 1.276 69 HB2 PRO 9 2HB PRO 9 2.103 2.124 3.585 70 HB3 PRO 9 1HB PRO 9 2.828 0.537 3.331 71 HG2 PRO 9 2HG PRO 9 3.829 2.283 5.114 72 HG3 PRO 9 1HG PRO 9 4.866 1.180 4.192 73 HD2 PRO 9 2HD PRO 9 4.313 4.088 3.729 74 HD3 PRO 9 1HD PRO 9 5.850 3.199 3.647 75 H ILE 10 H ILE 10 2.486 1.696 -0.447 76 HA ILE 10 HA ILE 10 0.865 4.042 -0.591 77 HB ILE 10 HB ILE 10 0.886 1.619 -2.421 78 HG12 ILE 10 2HG1 ILE 10 3.107 2.626 -2.335 79 HG13 ILE 10 1HG1 ILE 10 2.361 2.962 -3.890 80 HG21 ILE 10 1HG2 ILE 10 -0.089 3.126 -4.101 81 HG22 ILE 10 2HG2 ILE 10 -0.174 4.404 -2.885 82 HG23 ILE 10 3HG2 ILE 10 -1.134 2.937 -2.692 83 HD11 ILE 10 1HD1 ILE 10 1.821 5.232 -3.115 84 HD12 ILE 10 2HD1 ILE 10 3.551 4.902 -3.068 85 HD13 ILE 10 3HD1 ILE 10 2.612 4.884 -1.576 86 H CYS 11 H CYS 11 -0.882 4.172 0.596 87 HA CYS 11 HA CYS 11 -2.499 1.798 1.047 88 HB2 CYS 11 2HB CYS 11 -2.267 4.375 2.562 89 HB3 CYS 11 1HB CYS 11 -3.575 3.226 2.826 90 H PHE 12 H PHE 12 -4.116 1.523 -0.177 91 HA PHE 12 HA PHE 12 -5.518 3.738 -1.365 92 HB2 PHE 12 2HB PHE 12 -5.841 0.743 -1.606 93 HB3 PHE 12 1HB PHE 12 -6.940 1.882 -2.363 94 HD1 PHE 12 1HD PHE 12 -6.407 2.971 -4.362 95 HD2 PHE 12 2HD PHE 12 -3.422 0.717 -2.334 96 HE1 PHE 12 1HE PHE 12 -4.938 3.163 -6.321 97 HE2 PHE 12 2HE PHE 12 -1.947 0.914 -4.310 98 HZ PHE 12 HZ PHE 12 -2.711 2.133 -6.294 99 HA PRO 13 HA PRO 13 -8.341 4.789 1.801 100 HB2 PRO 13 2HB PRO 13 -10.308 4.260 -0.382 101 HB3 PRO 13 1HB PRO 13 -10.251 5.598 0.772 102 HG2 PRO 13 2HG PRO 13 -9.318 5.885 -1.714 103 HG3 PRO 13 1HG PRO 13 -8.525 6.658 -0.333 104 HD2 PRO 13 2HD PRO 13 -7.588 4.395 -1.991 105 HD3 PRO 13 1HD PRO 13 -6.675 5.492 -0.934 106 H ASP 14 H ASP 14 -9.336 1.938 -0.105 107 HA ASP 14 HA ASP 14 -11.250 1.043 1.783 108 HB2 ASP 14 2HB ASP 14 -11.377 0.361 -0.565 109 HB3 ASP 14 1HB ASP 14 -9.873 -0.535 -0.401 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -8.470 0.940 2.364 2 HA2 GLY 1 2HA GLY 1 -7.865 -0.598 4.002 3 HA3 GLY 1 1HA GLY 1 -9.199 -1.628 3.500 4 H ARG 2 H ARG 2 -6.546 -0.273 1.631 5 HA ARG 2 HA ARG 2 -5.517 -2.973 1.119 6 HB2 ARG 2 2HB ARG 2 -7.071 -2.320 -0.722 7 HB3 ARG 2 1HB ARG 2 -6.083 -0.898 -1.011 8 HG2 ARG 2 2HG ARG 2 -4.167 -2.429 -1.505 9 HG3 ARG 2 1HG ARG 2 -5.304 -3.775 -1.416 10 HD2 ARG 2 2HD ARG 2 -5.409 -1.438 -3.325 11 HD3 ARG 2 1HD ARG 2 -4.993 -3.100 -3.725 12 HE ARG 2 HE ARG 2 -7.519 -3.172 -2.607 13 HH11 ARG 2 1HH1 ARG 2 -6.003 -1.822 -5.515 14 HH12 ARG 2 2HH1 ARG 2 -7.451 -1.795 -6.406 15 HH21 ARG 2 1HH2 ARG 2 -9.491 -3.107 -3.855 16 HH22 ARG 2 2HH2 ARG 2 -9.472 -2.511 -5.444 17 H CYS 3 H CYS 3 -3.419 -2.844 1.760 18 HA CYS 3 HA CYS 3 -1.899 -0.490 0.922 19 HB2 CYS 3 2HB CYS 3 -1.733 -1.886 3.592 20 HB3 CYS 3 1HB CYS 3 -0.495 -0.803 2.986 21 H TYR 4 H TYR 4 -0.066 -0.870 -0.018 22 HA TYR 4 HA TYR 4 1.009 -3.596 0.023 23 HB2 TYR 4 2HB TYR 4 1.562 -1.338 -1.935 24 HB3 TYR 4 1HB TYR 4 2.260 -2.946 -2.004 25 HD1 TYR 4 1HD TYR 4 0.543 -4.920 -2.193 26 HD2 TYR 4 2HD TYR 4 -0.342 -0.879 -3.178 27 HE1 TYR 4 1HE TYR 4 -1.297 -5.678 -3.613 28 HE2 TYR 4 2HE TYR 4 -2.196 -1.635 -4.603 29 HH TYR 4 HH TYR 4 -3.435 -4.758 -4.533 30 H LYS 5 H LYS 5 2.732 -3.800 1.295 31 HA LYS 5 HA LYS 5 3.812 -1.376 2.341 32 HB2 LYS 5 2HB LYS 5 4.200 -4.213 3.242 33 HB3 LYS 5 1HB LYS 5 5.074 -2.860 3.954 34 HG2 LYS 5 2HG LYS 5 2.948 -1.783 4.519 35 HG3 LYS 5 1HG LYS 5 2.082 -3.151 3.832 36 HD2 LYS 5 2HD LYS 5 3.032 -4.624 5.510 37 HD3 LYS 5 1HD LYS 5 3.990 -3.289 6.161 38 HE2 LYS 5 2HE LYS 5 1.973 -2.088 6.752 39 HE3 LYS 5 1HE LYS 5 0.974 -3.343 6.025 40 HZ1 LYS 5 1HZ LYS 5 1.090 -3.531 8.415 41 HZ2 LYS 5 2HZ LYS 5 2.759 -3.689 8.368 42 HZ3 LYS 5 3HZ LYS 5 1.770 -4.890 7.687 43 H SER 6 H SER 6 4.639 -0.693 0.523 44 HA SER 6 HA SER 6 7.259 -1.653 -0.245 45 HB2 SER 6 2HB SER 6 6.777 0.104 -2.056 46 HB3 SER 6 1HB SER 6 5.750 -1.337 -2.058 47 HG SER 6 HG SER 6 5.129 1.295 -1.252 48 H LYS 7 H LYS 7 8.521 0.637 -0.860 49 HA LYS 7 HA LYS 7 8.102 2.454 1.400 50 HB2 LYS 7 2HB LYS 7 10.197 1.129 1.648 51 HB3 LYS 7 1HB LYS 7 10.746 1.755 0.100 52 HG2 LYS 7 2HG LYS 7 10.784 4.007 1.008 53 HG3 LYS 7 1HG LYS 7 10.175 3.408 2.543 54 HD2 LYS 7 2HD LYS 7 12.507 3.691 2.855 55 HD3 LYS 7 1HD LYS 7 12.270 1.964 2.657 56 HE2 LYS 7 2HE LYS 7 13.119 3.796 0.409 57 HE3 LYS 7 1HE LYS 7 14.264 3.005 1.468 58 HZ1 LYS 7 1HZ LYS 7 14.029 1.768 -0.537 59 HZ2 LYS 7 2HZ LYS 7 12.371 1.681 -0.416 60 HZ3 LYS 7 3HZ LYS 7 13.345 0.849 0.684 61 HA PRO 8 HA PRO 8 7.184 4.217 1.727 62 HB2 PRO 8 2HB PRO 8 5.152 5.807 0.993 63 HB3 PRO 8 1HB PRO 8 6.777 6.459 1.238 64 HG2 PRO 8 2HG PRO 8 5.406 5.699 -1.311 65 HG3 PRO 8 1HG PRO 8 6.338 7.163 -0.933 66 HD2 PRO 8 2HD PRO 8 7.394 5.074 -2.293 67 HD3 PRO 8 1HD PRO 8 8.359 6.094 -1.207 68 HA PRO 9 HA PRO 9 4.006 1.124 1.232 69 HB2 PRO 9 2HB PRO 9 2.193 1.944 3.142 70 HB3 PRO 9 1HB PRO 9 3.646 1.011 3.500 71 HG2 PRO 9 2HG PRO 9 3.156 3.944 3.760 72 HG3 PRO 9 1HG PRO 9 4.073 2.865 4.822 73 HD2 PRO 9 2HD PRO 9 5.278 4.534 3.077 74 HD3 PRO 9 1HD PRO 9 5.956 2.946 3.480 75 H ILE 10 H ILE 10 2.468 0.980 -0.232 76 HA ILE 10 HA ILE 10 1.095 3.404 -1.054 77 HB ILE 10 HB ILE 10 0.968 0.630 -2.289 78 HG12 ILE 10 2HG1 ILE 10 2.633 3.005 -3.157 79 HG13 ILE 10 1HG1 ILE 10 3.264 1.626 -2.268 80 HG21 ILE 10 1HG2 ILE 10 0.187 3.342 -3.380 81 HG22 ILE 10 2HG2 ILE 10 -0.928 2.079 -2.867 82 HG23 ILE 10 3HG2 ILE 10 0.116 1.819 -4.266 83 HD11 ILE 10 1HD1 ILE 10 2.023 1.538 -5.003 84 HD12 ILE 10 2HD1 ILE 10 2.695 0.162 -4.124 85 HD13 ILE 10 3HD1 ILE 10 3.748 1.477 -4.647 86 H CYS 11 H CYS 11 -0.561 3.834 0.228 87 HA CYS 11 HA CYS 11 -2.342 1.642 0.918 88 HB2 CYS 11 2HB CYS 11 -1.586 4.069 2.505 89 HB3 CYS 11 1HB CYS 11 -3.073 3.185 2.831 90 H PHE 12 H PHE 12 -4.232 1.643 0.265 91 HA PHE 12 HA PHE 12 -5.470 4.044 -0.863 92 HB2 PHE 12 2HB PHE 12 -6.208 1.121 -1.193 93 HB3 PHE 12 1HB PHE 12 -6.973 2.466 -2.009 94 HD1 PHE 12 1HD PHE 12 -5.939 3.522 -3.907 95 HD2 PHE 12 2HD PHE 12 -3.976 0.358 -1.858 96 HE1 PHE 12 1HE PHE 12 -4.368 3.291 -5.781 97 HE2 PHE 12 2HE PHE 12 -2.403 0.127 -3.721 98 HZ PHE 12 HZ PHE 12 -2.594 1.588 -5.692 99 HA PRO 13 HA PRO 13 -7.877 3.963 2.921 100 HB2 PRO 13 2HB PRO 13 -9.954 5.517 2.124 101 HB3 PRO 13 1HB PRO 13 -8.360 6.164 2.535 102 HG2 PRO 13 2HG PRO 13 -9.513 5.532 -0.155 103 HG3 PRO 13 1HG PRO 13 -8.615 6.975 0.351 104 HD2 PRO 13 2HD PRO 13 -7.421 4.988 -1.020 105 HD3 PRO 13 1HD PRO 13 -6.568 5.879 0.260 106 H ASP 14 H ASP 14 -8.587 2.214 0.344 107 HA ASP 14 HA ASP 14 -11.310 1.423 1.020 108 HB2 ASP 14 2HB ASP 14 -9.396 0.392 -1.101 109 HB3 ASP 14 1HB ASP 14 -11.039 -0.179 -0.881 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -8.318 0.925 1.975 2 HA2 GLY 1 2HA GLY 1 -7.644 -0.024 4.041 3 HA3 GLY 1 1HA GLY 1 -8.866 -1.277 3.832 4 H ARG 2 H ARG 2 -6.339 -0.012 1.703 5 HA ARG 2 HA ARG 2 -5.269 -2.748 1.464 6 HB2 ARG 2 2HB ARG 2 -5.653 -0.835 -0.849 7 HB3 ARG 2 1HB ARG 2 -5.028 -2.468 -0.930 8 HG2 ARG 2 2HG ARG 2 -7.840 -1.689 -0.213 9 HG3 ARG 2 1HG ARG 2 -7.292 -2.352 -1.753 10 HD2 ARG 2 2HD ARG 2 -6.656 -4.424 -0.664 11 HD3 ARG 2 1HD ARG 2 -7.090 -3.749 0.910 12 HE ARG 2 HE ARG 2 -9.132 -3.832 -1.133 13 HH11 ARG 2 1HH1 ARG 2 -7.816 -5.262 1.851 14 HH12 ARG 2 2HH1 ARG 2 -9.225 -6.107 2.239 15 HH21 ARG 2 1HH2 ARG 2 -11.091 -4.977 -0.566 16 HH22 ARG 2 2HH2 ARG 2 -11.124 -5.935 0.844 17 H CYS 3 H CYS 3 -3.124 -2.724 1.823 18 HA CYS 3 HA CYS 3 -1.643 -0.329 1.069 19 HB2 CYS 3 2HB CYS 3 -1.416 -1.747 3.729 20 HB3 CYS 3 1HB CYS 3 -0.234 -0.591 3.134 21 H TYR 4 H TYR 4 -0.004 -0.795 -0.145 22 HA TYR 4 HA TYR 4 0.997 -3.538 -0.261 23 HB2 TYR 4 2HB TYR 4 1.574 -1.110 -1.980 24 HB3 TYR 4 1HB TYR 4 2.351 -2.669 -2.191 25 HD1 TYR 4 1HD TYR 4 0.805 -4.672 -2.694 26 HD2 TYR 4 2HD TYR 4 -0.411 -0.621 -3.108 27 HE1 TYR 4 1HE TYR 4 -0.959 -5.374 -4.230 28 HE2 TYR 4 2HE TYR 4 -2.193 -1.311 -4.649 29 HH TYR 4 HH TYR 4 -3.162 -4.515 -5.024 30 H LYS 5 H LYS 5 2.778 -4.065 0.871 31 HA LYS 5 HA LYS 5 4.104 -1.966 2.248 32 HB2 LYS 5 2HB LYS 5 5.388 -3.687 3.423 33 HB3 LYS 5 1HB LYS 5 3.668 -4.002 3.498 34 HG2 LYS 5 2HG LYS 5 3.966 -5.710 1.710 35 HG3 LYS 5 1HG LYS 5 5.701 -5.406 1.782 36 HD2 LYS 5 2HD LYS 5 3.959 -6.458 4.014 37 HD3 LYS 5 1HD LYS 5 5.167 -7.362 3.105 38 HE2 LYS 5 2HE LYS 5 5.697 -5.031 4.968 39 HE3 LYS 5 1HE LYS 5 6.015 -6.726 5.296 40 HZ1 LYS 5 1HZ LYS 5 8.018 -5.562 4.647 41 HZ2 LYS 5 2HZ LYS 5 7.368 -5.119 3.178 42 HZ3 LYS 5 3HZ LYS 5 7.658 -6.735 3.508 43 H SER 6 H SER 6 5.009 -0.790 0.873 44 HA SER 6 HA SER 6 7.467 -1.712 -0.408 45 HB2 SER 6 2HB SER 6 5.403 -1.331 -1.933 46 HB3 SER 6 1HB SER 6 5.537 0.365 -1.491 47 HG SER 6 HG SER 6 6.523 -0.333 -3.465 48 H LYS 7 H LYS 7 8.599 0.693 -0.883 49 HA LYS 7 HA LYS 7 7.882 2.288 1.404 50 HB2 LYS 7 2HB LYS 7 10.265 2.915 1.833 51 HB3 LYS 7 1HB LYS 7 9.927 1.229 2.122 52 HG2 LYS 7 2HG LYS 7 11.248 2.248 -0.390 53 HG3 LYS 7 1HG LYS 7 12.137 1.760 1.046 54 HD2 LYS 7 2HD LYS 7 11.201 -0.488 0.862 55 HD3 LYS 7 1HD LYS 7 10.300 -0.008 -0.572 56 HE2 LYS 7 2HE LYS 7 13.306 -0.056 -0.268 57 HE3 LYS 7 1HE LYS 7 12.330 -1.189 -1.196 58 HZ1 LYS 7 1HZ LYS 7 11.654 0.661 -2.628 59 HZ2 LYS 7 2HZ LYS 7 13.308 0.430 -2.644 60 HZ3 LYS 7 3HZ LYS 7 12.659 1.709 -1.778 61 HA PRO 8 HA PRO 8 7.153 3.988 1.997 62 HB2 PRO 8 2HB PRO 8 5.130 5.671 1.463 63 HB3 PRO 8 1HB PRO 8 6.770 6.264 1.762 64 HG2 PRO 8 2HG PRO 8 5.356 5.835 -0.843 65 HG3 PRO 8 1HG PRO 8 6.335 7.218 -0.323 66 HD2 PRO 8 2HD PRO 8 7.299 5.231 -1.911 67 HD3 PRO 8 1HD PRO 8 8.318 6.146 -0.783 68 HA PRO 9 HA PRO 9 3.917 0.994 1.082 69 HB2 PRO 9 2HB PRO 9 2.431 2.036 3.416 70 HB3 PRO 9 1HB PRO 9 3.056 0.409 3.128 71 HG2 PRO 9 2HG PRO 9 4.198 2.025 4.923 72 HG3 PRO 9 1HG PRO 9 5.167 0.938 3.913 73 HD2 PRO 9 2HD PRO 9 4.697 3.878 3.613 74 HD3 PRO 9 1HD PRO 9 6.199 2.943 3.419 75 H ILE 10 H ILE 10 2.490 1.304 -0.469 76 HA ILE 10 HA ILE 10 1.055 3.817 -0.627 77 HB ILE 10 HB ILE 10 0.971 1.465 -2.546 78 HG12 ILE 10 2HG1 ILE 10 3.249 2.342 -2.424 79 HG13 ILE 10 1HG1 ILE 10 2.517 2.783 -3.960 80 HG21 ILE 10 1HG2 ILE 10 0.086 3.098 -4.160 81 HG22 ILE 10 2HG2 ILE 10 0.082 4.330 -2.899 82 HG23 ILE 10 3HG2 ILE 10 -0.969 2.922 -2.757 83 HD11 ILE 10 1HD1 ILE 10 3.823 4.617 -3.055 84 HD12 ILE 10 2HD1 ILE 10 2.872 4.591 -1.573 85 HD13 ILE 10 3HD1 ILE 10 2.112 5.045 -3.097 86 H CYS 11 H CYS 11 -0.832 4.055 0.313 87 HA CYS 11 HA CYS 11 -2.451 1.678 0.779 88 HB2 CYS 11 2HB CYS 11 -2.150 4.156 2.464 89 HB3 CYS 11 1HB CYS 11 -3.376 2.924 2.736 90 H PHE 12 H PHE 12 -4.494 1.692 0.354 91 HA PHE 12 HA PHE 12 -5.676 4.004 -1.009 92 HB2 PHE 12 2HB PHE 12 -6.198 1.044 -1.442 93 HB3 PHE 12 1HB PHE 12 -7.076 2.342 -2.233 94 HD1 PHE 12 1HD PHE 12 -6.128 3.562 -4.040 95 HD2 PHE 12 2HD PHE 12 -3.843 0.594 -2.026 96 HE1 PHE 12 1HE PHE 12 -4.464 3.628 -5.839 97 HE2 PHE 12 2HE PHE 12 -2.168 0.662 -3.826 98 HZ PHE 12 HZ PHE 12 -2.478 2.175 -5.733 99 HA PRO 13 HA PRO 13 -8.371 4.304 2.488 100 HB2 PRO 13 2HB PRO 13 -10.624 5.279 1.178 101 HB3 PRO 13 1HB PRO 13 -9.272 6.249 1.763 102 HG2 PRO 13 2HG PRO 13 -9.816 5.212 -0.979 103 HG3 PRO 13 1HG PRO 13 -9.144 6.773 -0.486 104 HD2 PRO 13 2HD PRO 13 -7.585 4.833 -1.463 105 HD3 PRO 13 1HD PRO 13 -7.017 5.887 -0.151 106 H ASP 14 H ASP 14 -9.041 2.093 0.027 107 HA ASP 14 HA ASP 14 -11.531 1.047 1.076 108 HB2 ASP 14 2HB ASP 14 -9.521 -0.196 -0.819 109 HB3 ASP 14 1HB ASP 14 -11.038 -0.950 -0.366 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -8.406 0.660 1.501 2 HA2 GLY 1 2HA GLY 1 -8.077 -0.751 3.483 3 HA3 GLY 1 1HA GLY 1 -9.271 -1.844 2.796 4 H ARG 2 H ARG 2 -6.505 -0.219 1.292 5 HA ARG 2 HA ARG 2 -5.323 -2.858 0.892 6 HB2 ARG 2 2HB ARG 2 -5.859 -0.833 -1.253 7 HB3 ARG 2 1HB ARG 2 -4.533 -1.970 -1.397 8 HG2 ARG 2 2HG ARG 2 -6.159 -3.821 -1.203 9 HG3 ARG 2 1HG ARG 2 -7.462 -2.625 -1.174 10 HD2 ARG 2 2HD ARG 2 -6.914 -1.856 -3.347 11 HD3 ARG 2 1HD ARG 2 -5.414 -2.778 -3.372 12 HE ARG 2 HE ARG 2 -7.766 -4.374 -3.058 13 HH11 ARG 2 1HH1 ARG 2 -5.670 -2.780 -5.454 14 HH12 ARG 2 2HH1 ARG 2 -6.008 -3.915 -6.685 15 HH21 ARG 2 1HH2 ARG 2 -8.191 -5.935 -4.810 16 HH22 ARG 2 2HH2 ARG 2 -7.429 -5.710 -6.312 17 H CYS 3 H CYS 3 -3.347 -2.917 1.558 18 HA CYS 3 HA CYS 3 -1.742 -0.505 1.330 19 HB2 CYS 3 2HB CYS 3 -1.984 -2.318 3.707 20 HB3 CYS 3 1HB CYS 3 -0.523 -1.382 3.427 21 H TYR 4 H TYR 4 0.009 -0.736 0.297 22 HA TYR 4 HA TYR 4 1.091 -3.416 -0.101 23 HB2 TYR 4 2HB TYR 4 1.435 -0.888 -1.745 24 HB3 TYR 4 1HB TYR 4 2.263 -2.410 -2.067 25 HD1 TYR 4 1HD TYR 4 -0.846 -0.562 -2.411 26 HD2 TYR 4 2HD TYR 4 0.961 -4.394 -2.773 27 HE1 TYR 4 1HE TYR 4 -2.773 -1.353 -3.733 28 HE2 TYR 4 2HE TYR 4 -0.936 -5.176 -4.092 29 HH TYR 4 HH TYR 4 -3.150 -3.189 -5.473 30 H LYS 5 H LYS 5 2.596 -3.789 1.297 31 HA LYS 5 HA LYS 5 3.972 -1.632 2.575 32 HB2 LYS 5 2HB LYS 5 4.193 -4.618 2.920 33 HB3 LYS 5 1HB LYS 5 5.085 -3.447 3.883 34 HG2 LYS 5 2HG LYS 5 2.950 -2.504 4.679 35 HG3 LYS 5 1HG LYS 5 2.083 -3.727 3.763 36 HD2 LYS 5 2HD LYS 5 4.077 -4.302 5.950 37 HD3 LYS 5 1HD LYS 5 2.329 -4.275 6.174 38 HE2 LYS 5 2HE LYS 5 2.084 -6.115 4.602 39 HE3 LYS 5 1HE LYS 5 3.821 -6.121 4.306 40 HZ1 LYS 5 1HZ LYS 5 3.078 -7.826 5.889 41 HZ2 LYS 5 2HZ LYS 5 2.603 -6.632 6.974 42 HZ3 LYS 5 3HZ LYS 5 4.217 -6.785 6.539 43 H SER 6 H SER 6 5.261 -0.664 1.300 44 HA SER 6 HA SER 6 7.717 -1.891 0.488 45 HB2 SER 6 2HB SER 6 5.905 -0.413 -1.469 46 HB3 SER 6 1HB SER 6 7.520 -1.033 -1.816 47 HG SER 6 HG SER 6 6.035 -2.977 -0.800 48 H LYS 7 H LYS 7 8.881 0.319 -0.616 49 HA LYS 7 HA LYS 7 8.010 2.505 1.116 50 HB2 LYS 7 2HB LYS 7 10.114 1.460 1.879 51 HB3 LYS 7 1HB LYS 7 10.852 1.838 0.329 52 HG2 LYS 7 2HG LYS 7 10.531 4.226 0.767 53 HG3 LYS 7 1HG LYS 7 9.825 3.838 2.334 54 HD2 LYS 7 2HD LYS 7 12.634 3.167 1.455 55 HD3 LYS 7 1HD LYS 7 12.185 4.488 2.531 56 HE2 LYS 7 2HE LYS 7 11.291 2.848 4.143 57 HE3 LYS 7 1HE LYS 7 11.769 1.542 3.063 58 HZ1 LYS 7 1HZ LYS 7 13.419 1.864 4.776 59 HZ2 LYS 7 2HZ LYS 7 13.599 3.489 4.321 60 HZ3 LYS 7 3HZ LYS 7 14.055 2.274 3.268 61 HA PRO 8 HA PRO 8 7.378 4.418 1.148 62 HB2 PRO 8 2HB PRO 8 5.423 5.970 0.122 63 HB3 PRO 8 1HB PRO 8 7.083 6.550 0.297 64 HG2 PRO 8 2HG PRO 8 5.691 5.489 -2.127 65 HG3 PRO 8 1HG PRO 8 6.745 6.905 -1.986 66 HD2 PRO 8 2HD PRO 8 7.619 4.526 -2.955 67 HD3 PRO 8 1HD PRO 8 8.670 5.635 -2.056 68 HA PRO 9 HA PRO 9 4.146 1.359 1.082 69 HB2 PRO 9 2HB PRO 9 2.813 2.099 3.358 70 HB3 PRO 9 1HB PRO 9 4.318 1.175 3.347 71 HG2 PRO 9 2HG PRO 9 3.883 4.081 3.847 72 HG3 PRO 9 1HG PRO 9 5.022 2.969 4.623 73 HD2 PRO 9 2HD PRO 9 5.753 4.748 2.699 74 HD3 PRO 9 1HD PRO 9 6.577 3.200 2.957 75 H ILE 10 H ILE 10 2.502 1.387 -0.216 76 HA ILE 10 HA ILE 10 0.950 3.823 -0.588 77 HB ILE 10 HB ILE 10 0.935 1.250 -2.194 78 HG12 ILE 10 2HG1 ILE 10 2.301 3.884 -2.806 79 HG13 ILE 10 1HG1 ILE 10 3.119 2.426 -2.258 80 HG21 ILE 10 1HG2 ILE 10 -0.231 3.969 -2.806 81 HG22 ILE 10 2HG2 ILE 10 -1.138 2.510 -2.419 82 HG23 ILE 10 3HG2 ILE 10 -0.202 2.596 -3.912 83 HD11 ILE 10 1HD1 ILE 10 2.407 1.276 -4.300 84 HD12 ILE 10 2HD1 ILE 10 3.362 2.715 -4.650 85 HD13 ILE 10 3HD1 ILE 10 1.609 2.753 -4.841 86 H CYS 11 H CYS 11 -0.896 3.997 0.540 87 HA CYS 11 HA CYS 11 -2.441 1.563 0.945 88 HB2 CYS 11 2HB CYS 11 -1.950 3.738 2.968 89 HB3 CYS 11 1HB CYS 11 -3.270 2.585 3.121 90 H PHE 12 H PHE 12 -4.453 1.604 0.532 91 HA PHE 12 HA PHE 12 -5.659 4.061 -0.521 92 HB2 PHE 12 2HB PHE 12 -6.315 1.164 -1.126 93 HB3 PHE 12 1HB PHE 12 -7.168 2.544 -1.790 94 HD1 PHE 12 1HD PHE 12 -4.039 0.621 -1.861 95 HD2 PHE 12 2HD PHE 12 -6.223 3.847 -3.582 96 HE1 PHE 12 1HE PHE 12 -2.471 0.684 -3.758 97 HE2 PHE 12 2HE PHE 12 -4.659 3.902 -5.467 98 HZ PHE 12 HZ PHE 12 -2.779 2.310 -5.549 99 HA PRO 13 HA PRO 13 -8.307 4.134 3.071 100 HB2 PRO 13 2HB PRO 13 -10.531 5.235 1.821 101 HB3 PRO 13 1HB PRO 13 -9.169 6.155 2.462 102 HG2 PRO 13 2HG PRO 13 -9.690 5.257 -0.344 103 HG3 PRO 13 1HG PRO 13 -9.070 6.815 0.237 104 HD2 PRO 13 2HD PRO 13 -7.427 5.028 -0.799 105 HD3 PRO 13 1HD PRO 13 -6.945 5.947 0.648 106 H ASP 14 H ASP 14 -9.324 2.654 0.112 107 HA ASP 14 HA ASP 14 -11.708 1.432 0.968 108 HB2 ASP 14 2HB ASP 14 -9.785 0.586 -1.203 109 HB3 ASP 14 1HB ASP 14 -11.413 -0.052 -0.991 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -8.332 0.591 1.323 2 HA2 GLY 1 2HA GLY 1 -7.777 -0.174 3.677 3 HA3 GLY 1 1HA GLY 1 -9.105 -1.303 3.423 4 H ARG 2 H ARG 2 -6.105 -0.251 1.885 5 HA ARG 2 HA ARG 2 -5.204 -2.958 1.682 6 HB2 ARG 2 2HB ARG 2 -6.614 -2.999 -0.259 7 HB3 ARG 2 1HB ARG 2 -6.012 -1.438 -0.785 8 HG2 ARG 2 2HG ARG 2 -3.880 -2.385 -1.348 9 HG3 ARG 2 1HG ARG 2 -4.345 -3.940 -0.653 10 HD2 ARG 2 2HD ARG 2 -4.482 -3.802 -3.153 11 HD3 ARG 2 1HD ARG 2 -5.965 -4.311 -2.353 12 HE ARG 2 HE ARG 2 -6.404 -1.709 -2.585 13 HH11 ARG 2 1HH1 ARG 2 -5.090 -3.918 -4.989 14 HH12 ARG 2 2HH1 ARG 2 -5.872 -3.207 -6.320 15 HH21 ARG 2 1HH2 ARG 2 -7.488 -0.683 -4.392 16 HH22 ARG 2 2HH2 ARG 2 -7.299 -1.314 -5.956 17 H CYS 3 H CYS 3 -3.220 -2.652 2.438 18 HA CYS 3 HA CYS 3 -1.682 -0.418 1.357 19 HB2 CYS 3 2HB CYS 3 -1.363 -1.915 3.963 20 HB3 CYS 3 1HB CYS 3 -0.219 -0.724 3.357 21 H TYR 4 H TYR 4 -0.055 -0.829 0.123 22 HA TYR 4 HA TYR 4 0.949 -3.562 -0.047 23 HB2 TYR 4 2HB TYR 4 1.350 -1.166 -1.840 24 HB3 TYR 4 1HB TYR 4 2.162 -2.708 -2.058 25 HD1 TYR 4 1HD TYR 4 -0.603 -0.778 -3.021 26 HD2 TYR 4 2HD TYR 4 0.551 -4.772 -2.191 27 HE1 TYR 4 1HE TYR 4 -2.479 -1.617 -4.397 28 HE2 TYR 4 2HE TYR 4 -1.309 -5.602 -3.549 29 HH TYR 4 HH TYR 4 -2.940 -3.710 -5.688 30 H LYS 5 H LYS 5 2.814 -4.048 0.853 31 HA LYS 5 HA LYS 5 4.221 -1.989 2.225 32 HB2 LYS 5 2HB LYS 5 5.774 -3.835 2.972 33 HB3 LYS 5 1HB LYS 5 4.095 -4.047 3.416 34 HG2 LYS 5 2HG LYS 5 3.798 -5.674 1.668 35 HG3 LYS 5 1HG LYS 5 5.457 -5.425 1.107 36 HD2 LYS 5 2HD LYS 5 6.296 -6.233 3.245 37 HD3 LYS 5 1HD LYS 5 4.642 -6.415 3.837 38 HE2 LYS 5 2HE LYS 5 4.206 -8.079 2.118 39 HE3 LYS 5 1HE LYS 5 5.844 -7.883 1.493 40 HZ1 LYS 5 1HZ LYS 5 5.679 -9.827 2.914 41 HZ2 LYS 5 2HZ LYS 5 5.109 -8.883 4.188 42 HZ3 LYS 5 3HZ LYS 5 6.675 -8.675 3.632 43 H SER 6 H SER 6 5.375 -0.674 1.227 44 HA SER 6 HA SER 6 7.539 -1.490 -0.475 45 HB2 SER 6 2HB SER 6 5.380 0.452 -1.404 46 HB3 SER 6 1HB SER 6 6.842 0.026 -2.293 47 HG SER 6 HG SER 6 5.648 -2.220 -1.701 48 H LYS 7 H LYS 7 8.489 0.952 -1.136 49 HA LYS 7 HA LYS 7 8.239 2.547 1.296 50 HB2 LYS 7 2HB LYS 7 10.679 2.049 -0.406 51 HB3 LYS 7 1HB LYS 7 10.597 3.325 0.800 52 HG2 LYS 7 2HG LYS 7 10.280 1.673 2.550 53 HG3 LYS 7 1HG LYS 7 10.280 0.383 1.349 54 HD2 LYS 7 2HD LYS 7 12.546 0.865 0.742 55 HD3 LYS 7 1HD LYS 7 12.563 2.291 1.783 56 HE2 LYS 7 2HE LYS 7 12.169 -0.530 2.759 57 HE3 LYS 7 1HE LYS 7 13.723 0.298 2.733 58 HZ1 LYS 7 1HZ LYS 7 12.671 0.421 4.908 59 HZ2 LYS 7 2HZ LYS 7 11.324 1.193 4.256 60 HZ3 LYS 7 3HZ LYS 7 12.805 1.963 4.237 61 HA PRO 8 HA PRO 8 7.146 3.989 1.897 62 HB2 PRO 8 2HB PRO 8 5.012 5.585 1.754 63 HB3 PRO 8 1HB PRO 8 6.640 6.271 1.825 64 HG2 PRO 8 2HG PRO 8 4.870 5.843 -0.551 65 HG3 PRO 8 1HG PRO 8 5.823 7.275 -0.120 66 HD2 PRO 8 2HD PRO 8 6.662 5.412 -1.925 67 HD3 PRO 8 1HD PRO 8 7.770 6.378 -0.933 68 HA PRO 9 HA PRO 9 3.917 0.928 1.238 69 HB2 PRO 9 2HB PRO 9 2.425 2.084 3.531 70 HB3 PRO 9 1HB PRO 9 3.036 0.441 3.317 71 HG2 PRO 9 2HG PRO 9 4.210 2.105 5.026 72 HG3 PRO 9 1HG PRO 9 5.170 1.001 4.026 73 HD2 PRO 9 2HD PRO 9 4.667 3.930 3.650 74 HD3 PRO 9 1HD PRO 9 6.176 3.012 3.459 75 H ILE 10 H ILE 10 2.311 0.986 -0.165 76 HA ILE 10 HA ILE 10 0.935 3.522 -0.579 77 HB ILE 10 HB ILE 10 0.946 1.048 -2.347 78 HG12 ILE 10 2HG1 ILE 10 2.492 3.643 -2.612 79 HG13 ILE 10 1HG1 ILE 10 3.176 2.104 -2.114 80 HG21 ILE 10 1HG2 ILE 10 0.026 2.560 -4.064 81 HG22 ILE 10 2HG2 ILE 10 -0.006 3.873 -2.889 82 HG23 ILE 10 3HG2 ILE 10 -1.042 2.465 -2.663 83 HD11 ILE 10 1HD1 ILE 10 1.955 2.710 -4.797 84 HD12 ILE 10 2HD1 ILE 10 2.656 1.168 -4.304 85 HD13 ILE 10 3HD1 ILE 10 3.678 2.599 -4.437 86 H CYS 11 H CYS 11 -0.782 3.715 0.642 87 HA CYS 11 HA CYS 11 -2.489 1.399 1.104 88 HB2 CYS 11 2HB CYS 11 -2.147 3.945 2.681 89 HB3 CYS 11 1HB CYS 11 -3.378 2.733 3.016 90 H PHE 12 H PHE 12 -4.207 1.309 -0.019 91 HA PHE 12 HA PHE 12 -5.358 3.702 -1.147 92 HB2 PHE 12 2HB PHE 12 -6.052 0.769 -1.467 93 HB3 PHE 12 1HB PHE 12 -6.968 2.064 -2.223 94 HD1 PHE 12 1HD PHE 12 -6.137 3.232 -4.122 95 HD2 PHE 12 2HD PHE 12 -3.730 0.301 -2.194 96 HE1 PHE 12 1HE PHE 12 -4.592 3.259 -6.026 97 HE2 PHE 12 2HE PHE 12 -2.175 0.334 -4.107 98 HZ PHE 12 HZ PHE 12 -2.606 1.804 -6.020 99 HA PRO 13 HA PRO 13 -7.882 4.592 2.308 100 HB2 PRO 13 2HB PRO 13 -10.089 5.564 0.872 101 HB3 PRO 13 1HB PRO 13 -8.711 6.496 1.454 102 HG2 PRO 13 2HG PRO 13 -9.215 5.349 -1.244 103 HG3 PRO 13 1HG PRO 13 -8.392 6.850 -0.800 104 HD2 PRO 13 2HD PRO 13 -7.037 4.695 -1.610 105 HD3 PRO 13 1HD PRO 13 -6.395 5.752 -0.333 106 H ASP 14 H ASP 14 -9.231 2.501 -0.149 107 HA ASP 14 HA ASP 14 -11.610 1.796 1.229 108 HB2 ASP 14 2HB ASP 14 -11.307 1.218 -1.134 109 HB3 ASP 14 1HB ASP 14 -9.963 0.165 -0.713 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -7.947 1.001 1.791 2 HA2 GLY 1 2HA GLY 1 -7.160 0.426 4.008 3 HA3 GLY 1 1HA GLY 1 -8.501 -0.715 4.122 4 H ARG 2 H ARG 2 -6.401 -0.140 1.372 5 HA ARG 2 HA ARG 2 -5.440 -2.888 1.672 6 HB2 ARG 2 2HB ARG 2 -6.953 -2.668 -0.282 7 HB3 ARG 2 1HB ARG 2 -5.951 -1.374 -0.901 8 HG2 ARG 2 2HG ARG 2 -5.580 -3.505 -2.066 9 HG3 ARG 2 1HG ARG 2 -4.121 -2.901 -1.282 10 HD2 ARG 2 2HD ARG 2 -4.414 -5.331 -0.997 11 HD3 ARG 2 1HD ARG 2 -4.407 -4.475 0.537 12 HE ARG 2 HE ARG 2 -7.053 -4.799 -0.394 13 HH11 ARG 2 1HH1 ARG 2 -4.417 -6.727 0.980 14 HH12 ARG 2 2HH1 ARG 2 -5.457 -7.831 1.752 15 HH21 ARG 2 1HH2 ARG 2 -8.455 -6.336 0.669 16 HH22 ARG 2 2HH2 ARG 2 -7.775 -7.598 1.581 17 H CYS 3 H CYS 3 -3.517 -2.562 2.578 18 HA CYS 3 HA CYS 3 -1.825 -0.425 1.528 19 HB2 CYS 3 2HB CYS 3 -1.520 -2.051 4.058 20 HB3 CYS 3 1HB CYS 3 -0.512 -0.699 3.572 21 H TYR 4 H TYR 4 -0.167 -0.918 0.259 22 HA TYR 4 HA TYR 4 0.652 -3.713 0.080 23 HB2 TYR 4 2HB TYR 4 -0.155 -2.559 -2.003 24 HB3 TYR 4 1HB TYR 4 1.184 -1.430 -1.804 25 HD1 TYR 4 1HD TYR 4 3.111 -1.812 -2.985 26 HD2 TYR 4 2HD TYR 4 0.632 -5.126 -2.022 27 HE1 TYR 4 1HE TYR 4 4.619 -3.290 -4.206 28 HE2 TYR 4 2HE TYR 4 2.139 -6.615 -3.246 29 HH TYR 4 HH TYR 4 5.231 -5.660 -4.188 30 H LYS 5 H LYS 5 2.725 -4.269 0.384 31 HA LYS 5 HA LYS 5 4.303 -2.562 1.991 32 HB2 LYS 5 2HB LYS 5 5.961 -4.491 1.926 33 HB3 LYS 5 1HB LYS 5 4.383 -4.817 2.618 34 HG2 LYS 5 2HG LYS 5 3.705 -5.930 0.544 35 HG3 LYS 5 1HG LYS 5 5.288 -5.581 -0.159 36 HD2 LYS 5 2HD LYS 5 6.374 -6.914 1.533 37 HD3 LYS 5 1HD LYS 5 4.839 -7.192 2.353 38 HE2 LYS 5 2HE LYS 5 4.028 -8.449 0.443 39 HE3 LYS 5 1HE LYS 5 5.510 -8.102 -0.446 40 HZ1 LYS 5 1HZ LYS 5 5.517 -10.325 0.559 41 HZ2 LYS 5 2HZ LYS 5 5.352 -9.641 2.089 42 HZ3 LYS 5 3HZ LYS 5 6.741 -9.343 1.184 43 H SER 6 H SER 6 5.067 -0.863 1.062 44 HA SER 6 HA SER 6 7.302 -1.122 -0.764 45 HB2 SER 6 2HB SER 6 4.958 0.744 -1.282 46 HB3 SER 6 1HB SER 6 6.444 0.666 -2.230 47 HG SER 6 HG SER 6 5.329 -1.759 -1.950 48 H LYS 7 H LYS 7 8.219 1.339 -0.945 49 HA LYS 7 HA LYS 7 7.872 2.574 1.685 50 HB2 LYS 7 2HB LYS 7 10.046 1.385 1.500 51 HB3 LYS 7 1HB LYS 7 10.446 2.383 0.112 52 HG2 LYS 7 2HG LYS 7 10.335 4.379 1.532 53 HG3 LYS 7 1HG LYS 7 9.985 3.351 2.921 54 HD2 LYS 7 2HD LYS 7 12.126 2.189 2.562 55 HD3 LYS 7 1HD LYS 7 12.478 3.292 1.233 56 HE2 LYS 7 2HE LYS 7 12.335 5.185 2.787 57 HE3 LYS 7 1HE LYS 7 12.026 4.061 4.107 58 HZ1 LYS 7 1HZ LYS 7 14.227 3.055 3.625 59 HZ2 LYS 7 2HZ LYS 7 14.303 4.652 4.110 60 HZ3 LYS 7 3HZ LYS 7 14.510 4.277 2.493 61 HA PRO 8 HA PRO 8 6.761 4.099 2.380 62 HB2 PRO 8 2HB PRO 8 4.593 5.818 1.414 63 HB3 PRO 8 1HB PRO 8 5.662 6.062 2.793 64 HG2 PRO 8 2HG PRO 8 5.804 7.601 0.597 65 HG3 PRO 8 1HG PRO 8 7.241 7.176 1.544 66 HD2 PRO 8 2HD PRO 8 6.225 5.948 -0.994 67 HD3 PRO 8 1HD PRO 8 7.878 6.451 -0.581 68 HA PRO 9 HA PRO 9 3.858 0.942 1.193 69 HB2 PRO 9 2HB PRO 9 2.036 1.906 3.327 70 HB3 PRO 9 1HB PRO 9 2.741 0.302 3.096 71 HG2 PRO 9 2HG PRO 9 3.629 1.909 5.016 72 HG3 PRO 9 1HG PRO 9 4.739 0.894 4.075 73 HD2 PRO 9 2HD PRO 9 4.196 3.821 3.840 74 HD3 PRO 9 1HD PRO 9 5.738 2.942 3.728 75 H ILE 10 H ILE 10 2.644 1.112 -0.537 76 HA ILE 10 HA ILE 10 1.005 3.407 -1.057 77 HB ILE 10 HB ILE 10 1.138 0.761 -2.553 78 HG12 ILE 10 2HG1 ILE 10 2.612 3.342 -3.148 79 HG13 ILE 10 1HG1 ILE 10 3.344 1.917 -2.423 80 HG21 ILE 10 1HG2 ILE 10 0.209 2.045 -4.443 81 HG22 ILE 10 2HG2 ILE 10 0.107 3.473 -3.414 82 HG23 ILE 10 3HG2 ILE 10 -0.876 2.056 -3.051 83 HD11 ILE 10 1HD1 ILE 10 2.122 2.076 -5.171 84 HD12 ILE 10 2HD1 ILE 10 2.882 0.651 -4.458 85 HD13 ILE 10 3HD1 ILE 10 3.842 2.090 -4.794 86 H CYS 11 H CYS 11 -0.739 3.526 0.239 87 HA CYS 11 HA CYS 11 -2.297 1.077 0.438 88 HB2 CYS 11 2HB CYS 11 -1.181 1.657 2.594 89 HB3 CYS 11 1HB CYS 11 -2.087 3.166 2.605 90 H PHE 12 H PHE 12 -4.041 1.146 -0.480 91 HA PHE 12 HA PHE 12 -5.211 3.557 -1.442 92 HB2 PHE 12 2HB PHE 12 -6.165 0.683 -1.625 93 HB3 PHE 12 1HB PHE 12 -6.856 2.044 -2.500 94 HD1 PHE 12 1HD PHE 12 -5.412 3.283 -4.150 95 HD2 PHE 12 2HD PHE 12 -4.308 -0.480 -2.492 96 HE1 PHE 12 1HE PHE 12 -3.811 2.946 -5.988 97 HE2 PHE 12 2HE PHE 12 -2.704 -0.820 -4.330 98 HZ PHE 12 HZ PHE 12 -2.457 0.887 -6.078 99 HA PRO 13 HA PRO 13 -7.631 4.737 2.037 100 HB2 PRO 13 2HB PRO 13 -9.931 5.488 0.586 101 HB3 PRO 13 1HB PRO 13 -8.572 6.519 1.039 102 HG2 PRO 13 2HG PRO 13 -9.105 5.083 -1.514 103 HG3 PRO 13 1HG PRO 13 -8.352 6.664 -1.246 104 HD2 PRO 13 2HD PRO 13 -6.889 4.563 -1.894 105 HD3 PRO 13 1HD PRO 13 -6.293 5.720 -0.683 106 H ASP 14 H ASP 14 -8.965 2.325 -0.098 107 HA ASP 14 HA ASP 14 -11.285 1.619 1.388 108 HB2 ASP 14 2HB ASP 14 -10.902 0.783 -0.890 109 HB3 ASP 14 1HB ASP 14 -9.501 -0.123 -0.336 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -8.216 0.576 1.551 2 HA2 GLY 1 2HA GLY 1 -7.462 -0.537 3.688 3 HA3 GLY 1 1HA GLY 1 -8.828 -1.613 3.413 4 H ARG 2 H ARG 2 -6.295 -0.298 1.313 5 HA ARG 2 HA ARG 2 -5.441 -3.043 0.805 6 HB2 ARG 2 2HB ARG 2 -7.015 -2.320 -1.025 7 HB3 ARG 2 1HB ARG 2 -5.907 -1.010 -1.397 8 HG2 ARG 2 2HG ARG 2 -5.594 -2.814 -2.973 9 HG3 ARG 2 1HG ARG 2 -4.167 -2.670 -1.949 10 HD2 ARG 2 2HD ARG 2 -4.858 -5.020 -2.298 11 HD3 ARG 2 1HD ARG 2 -4.889 -4.547 -0.601 12 HE ARG 2 HE ARG 2 -7.405 -4.176 -1.869 13 HH11 ARG 2 1HH1 ARG 2 -5.343 -6.702 -0.445 14 HH12 ARG 2 2HH1 ARG 2 -6.662 -7.673 0.035 15 HH21 ARG 2 1HH2 ARG 2 -9.190 -5.524 -1.142 16 HH22 ARG 2 2HH2 ARG 2 -8.847 -7.021 -0.379 17 H CYS 3 H CYS 3 -3.676 -2.572 2.095 18 HA CYS 3 HA CYS 3 -1.934 -0.396 1.230 19 HB2 CYS 3 2HB CYS 3 -1.783 -2.097 3.728 20 HB3 CYS 3 1HB CYS 3 -0.812 -0.679 3.365 21 H TYR 4 H TYR 4 0.058 -0.781 0.377 22 HA TYR 4 HA TYR 4 0.761 -3.585 -0.036 23 HB2 TYR 4 2HB TYR 4 1.633 -1.098 -1.530 24 HB3 TYR 4 1HB TYR 4 2.211 -2.722 -1.872 25 HD1 TYR 4 1HD TYR 4 0.878 -4.259 -3.148 26 HD2 TYR 4 2HD TYR 4 -0.722 -0.497 -1.988 27 HE1 TYR 4 1HE TYR 4 -0.995 -4.595 -4.677 28 HE2 TYR 4 2HE TYR 4 -2.607 -0.820 -3.506 29 HH TYR 4 HH TYR 4 -3.316 -3.789 -4.958 30 H LYS 5 H LYS 5 2.711 -4.336 0.624 31 HA LYS 5 HA LYS 5 4.106 -2.699 2.525 32 HB2 LYS 5 2HB LYS 5 5.481 -4.745 2.975 33 HB3 LYS 5 1HB LYS 5 3.761 -4.988 3.204 34 HG2 LYS 5 2HG LYS 5 3.661 -6.079 0.975 35 HG3 LYS 5 1HG LYS 5 5.407 -5.903 0.848 36 HD2 LYS 5 2HD LYS 5 3.946 -7.454 2.990 37 HD3 LYS 5 1HD LYS 5 4.728 -8.160 1.580 38 HE2 LYS 5 2HE LYS 5 6.094 -6.581 3.754 39 HE3 LYS 5 1HE LYS 5 6.110 -8.336 3.608 40 HZ1 LYS 5 1HZ LYS 5 7.315 -8.086 1.499 41 HZ2 LYS 5 2HZ LYS 5 8.117 -7.325 2.769 42 HZ3 LYS 5 3HZ LYS 5 7.278 -6.405 1.669 43 H SER 6 H SER 6 4.881 -1.118 1.281 44 HA SER 6 HA SER 6 7.419 -1.600 0.009 45 HB2 SER 6 2HB SER 6 5.137 -0.175 -1.422 46 HB3 SER 6 1HB SER 6 6.773 -0.403 -2.041 47 HG SER 6 HG SER 6 5.827 -2.751 -1.317 48 H LYS 7 H LYS 7 8.524 0.515 -0.211 49 HA LYS 7 HA LYS 7 7.345 2.634 1.447 50 HB2 LYS 7 2HB LYS 7 10.243 1.813 1.268 51 HB3 LYS 7 1HB LYS 7 9.645 3.181 2.192 52 HG2 LYS 7 2HG LYS 7 8.359 1.627 3.623 53 HG3 LYS 7 1HG LYS 7 9.019 0.270 2.713 54 HD2 LYS 7 2HD LYS 7 10.649 2.279 4.277 55 HD3 LYS 7 1HD LYS 7 10.214 0.672 4.836 56 HE2 LYS 7 2HE LYS 7 11.505 -0.366 3.111 57 HE3 LYS 7 1HE LYS 7 11.801 1.174 2.315 58 HZ1 LYS 7 1HZ LYS 7 13.090 1.876 4.209 59 HZ2 LYS 7 2HZ LYS 7 13.707 0.437 3.602 60 HZ3 LYS 7 3HZ LYS 7 12.792 0.431 5.014 61 HA PRO 8 HA PRO 8 7.142 4.900 1.519 62 HB2 PRO 8 2HB PRO 8 5.277 6.323 0.102 63 HB3 PRO 8 1HB PRO 8 6.877 6.949 0.513 64 HG2 PRO 8 2HG PRO 8 5.932 5.703 -2.039 65 HG3 PRO 8 1HG PRO 8 6.937 7.144 -1.807 66 HD2 PRO 8 2HD PRO 8 8.013 4.776 -2.472 67 HD3 PRO 8 1HD PRO 8 8.842 5.904 -1.380 68 HA PRO 9 HA PRO 9 3.944 1.810 1.590 69 HB2 PRO 9 2HB PRO 9 2.509 3.614 3.445 70 HB3 PRO 9 1HB PRO 9 3.057 1.952 3.689 71 HG2 PRO 9 2HG PRO 9 4.307 3.982 4.871 72 HG3 PRO 9 1HG PRO 9 5.212 2.598 4.231 73 HD2 PRO 9 2HD PRO 9 4.842 5.327 3.056 74 HD3 PRO 9 1HD PRO 9 6.294 4.299 3.144 75 H ILE 10 H ILE 10 2.848 1.765 -0.230 76 HA ILE 10 HA ILE 10 0.994 3.880 -0.943 77 HB ILE 10 HB ILE 10 1.728 1.314 -2.395 78 HG12 ILE 10 2HG1 ILE 10 2.579 4.170 -2.934 79 HG13 ILE 10 1HG1 ILE 10 3.587 2.943 -2.180 80 HG21 ILE 10 1HG2 ILE 10 -0.513 2.083 -3.009 81 HG22 ILE 10 2HG2 ILE 10 0.614 2.315 -4.346 82 HG23 ILE 10 3HG2 ILE 10 0.127 3.690 -3.356 83 HD11 ILE 10 1HD1 ILE 10 3.512 1.631 -4.241 84 HD12 ILE 10 2HD1 ILE 10 4.162 3.248 -4.513 85 HD13 ILE 10 3HD1 ILE 10 2.504 2.871 -4.986 86 H CYS 11 H CYS 11 -0.915 3.780 0.127 87 HA CYS 11 HA CYS 11 -2.251 1.206 0.094 88 HB2 CYS 11 2HB CYS 11 -1.351 1.523 2.362 89 HB3 CYS 11 1HB CYS 11 -2.191 3.070 2.463 90 H PHE 12 H PHE 12 -4.320 1.254 -0.351 91 HA PHE 12 HA PHE 12 -5.497 3.815 -1.055 92 HB2 PHE 12 2HB PHE 12 -6.395 0.978 -1.635 93 HB3 PHE 12 1HB PHE 12 -7.289 2.411 -2.120 94 HD1 PHE 12 1HD PHE 12 -4.437 0.275 -2.836 95 HD2 PHE 12 2HD PHE 12 -6.374 3.935 -3.800 96 HE1 PHE 12 1HE PHE 12 -3.110 0.445 -4.925 97 HE2 PHE 12 2HE PHE 12 -5.063 4.091 -5.861 98 HZ PHE 12 HZ PHE 12 -3.432 2.342 -6.418 99 HA PRO 13 HA PRO 13 -7.483 4.286 2.801 100 HB2 PRO 13 2HB PRO 13 -9.819 5.523 1.902 101 HB3 PRO 13 1HB PRO 13 -8.297 6.322 2.296 102 HG2 PRO 13 2HG PRO 13 -9.360 5.476 -0.357 103 HG3 PRO 13 1HG PRO 13 -8.433 6.921 0.073 104 HD2 PRO 13 2HD PRO 13 -7.291 4.879 -1.188 105 HD3 PRO 13 1HD PRO 13 -6.414 5.779 0.069 106 H ASP 14 H ASP 14 -9.277 2.589 0.314 107 HA ASP 14 HA ASP 14 -11.428 1.773 1.982 108 HB2 ASP 14 2HB ASP 14 -11.678 1.512 -0.416 109 HB3 ASP 14 1HB ASP 14 -10.297 0.420 -0.482 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -8.195 0.526 1.407 2 HA2 GLY 1 2HA GLY 1 -7.705 -0.796 3.418 3 HA3 GLY 1 1HA GLY 1 -8.853 -1.984 2.812 4 H ARG 2 H ARG 2 -6.189 -0.214 1.288 5 HA ARG 2 HA ARG 2 -4.862 -2.768 0.842 6 HB2 ARG 2 2HB ARG 2 -6.150 -2.361 -1.196 7 HB3 ARG 2 1HB ARG 2 -5.456 -0.755 -1.340 8 HG2 ARG 2 2HG ARG 2 -4.382 -2.257 -2.913 9 HG3 ARG 2 1HG ARG 2 -3.225 -1.781 -1.673 10 HD2 ARG 2 2HD ARG 2 -3.043 -4.165 -2.158 11 HD3 ARG 2 1HD ARG 2 -3.609 -3.902 -0.509 12 HE ARG 2 HE ARG 2 -5.768 -4.211 -2.324 13 HH11 ARG 2 1HH1 ARG 2 -3.376 -6.146 -0.501 14 HH12 ARG 2 2HH1 ARG 2 -4.388 -7.521 -0.477 15 HH21 ARG 2 1HH2 ARG 2 -7.065 -6.112 -2.262 16 HH22 ARG 2 2HH2 ARG 2 -6.497 -7.511 -1.491 17 H CYS 3 H CYS 3 -2.977 -2.504 1.783 18 HA CYS 3 HA CYS 3 -1.524 -0.020 1.283 19 HB2 CYS 3 2HB CYS 3 -1.590 -1.687 3.799 20 HB3 CYS 3 1HB CYS 3 -0.382 -0.449 3.484 21 H TYR 4 H TYR 4 0.424 -0.247 0.498 22 HA TYR 4 HA TYR 4 1.372 -2.909 -0.150 23 HB2 TYR 4 2HB TYR 4 2.520 -0.179 -0.771 24 HB3 TYR 4 1HB TYR 4 3.160 -1.698 -1.383 25 HD1 TYR 4 1HD TYR 4 2.032 -2.853 -3.205 26 HD2 TYR 4 2HD TYR 4 0.446 0.719 -1.569 27 HE1 TYR 4 1HE TYR 4 0.540 -2.633 -5.142 28 HE2 TYR 4 2HE TYR 4 -1.032 0.968 -3.473 29 HH TYR 4 HH TYR 4 -1.100 0.237 -5.828 30 H LYS 5 H LYS 5 3.379 -3.700 0.526 31 HA LYS 5 HA LYS 5 4.320 -2.484 3.004 32 HB2 LYS 5 2HB LYS 5 5.490 -4.601 3.434 33 HB3 LYS 5 1HB LYS 5 3.774 -4.838 3.158 34 HG2 LYS 5 2HG LYS 5 4.242 -5.601 0.880 35 HG3 LYS 5 1HG LYS 5 5.970 -5.360 1.156 36 HD2 LYS 5 2HD LYS 5 5.405 -7.702 1.440 37 HD3 LYS 5 1HD LYS 5 5.870 -7.009 2.993 38 HE2 LYS 5 2HE LYS 5 3.488 -6.749 3.576 39 HE3 LYS 5 1HE LYS 5 3.044 -7.463 2.029 40 HZ1 LYS 5 1HZ LYS 5 4.173 -9.488 2.719 41 HZ2 LYS 5 2HZ LYS 5 2.938 -9.076 3.777 42 HZ3 LYS 5 3HZ LYS 5 4.543 -8.795 4.213 43 H SER 6 H SER 6 5.022 -2.605 -0.228 44 HA SER 6 HA SER 6 7.846 -2.197 0.001 45 HB2 SER 6 2HB SER 6 5.963 -1.616 -2.291 46 HB3 SER 6 1HB SER 6 7.718 -1.790 -2.386 47 HG SER 6 HG SER 6 7.380 -3.957 -1.582 48 H LYS 7 H LYS 7 8.679 -0.298 0.606 49 HA LYS 7 HA LYS 7 6.949 1.941 1.037 50 HB2 LYS 7 2HB LYS 7 9.922 1.632 1.457 51 HB3 LYS 7 1HB LYS 7 8.983 3.038 1.951 52 HG2 LYS 7 2HG LYS 7 7.643 1.608 3.422 53 HG3 LYS 7 1HG LYS 7 8.617 0.222 2.936 54 HD2 LYS 7 2HD LYS 7 10.604 1.288 3.860 55 HD3 LYS 7 1HD LYS 7 9.636 2.698 4.304 56 HE2 LYS 7 2HE LYS 7 8.279 1.320 5.779 57 HE3 LYS 7 1HE LYS 7 9.208 -0.103 5.321 58 HZ1 LYS 7 1HZ LYS 7 9.929 0.775 7.429 59 HZ2 LYS 7 2HZ LYS 7 10.254 2.270 6.751 60 HZ3 LYS 7 3HZ LYS 7 11.171 0.928 6.304 61 HA PRO 8 HA PRO 8 7.038 4.265 1.199 62 HB2 PRO 8 2HB PRO 8 5.339 5.921 -0.122 63 HB3 PRO 8 1HB PRO 8 7.038 6.322 0.166 64 HG2 PRO 8 2HG PRO 8 5.753 5.195 -2.295 65 HG3 PRO 8 1HG PRO 8 6.949 6.495 -2.158 66 HD2 PRO 8 2HD PRO 8 7.625 3.977 -2.835 67 HD3 PRO 8 1HD PRO 8 8.706 5.025 -1.895 68 HA PRO 9 HA PRO 9 3.572 1.402 0.987 69 HB2 PRO 9 2HB PRO 9 2.731 2.584 3.540 70 HB3 PRO 9 1HB PRO 9 3.205 0.920 3.175 71 HG2 PRO 9 2HG PRO 9 4.767 2.538 4.613 72 HG3 PRO 9 1HG PRO 9 5.449 1.351 3.483 73 HD2 PRO 9 2HD PRO 9 5.038 4.297 3.131 74 HD3 PRO 9 1HD PRO 9 6.447 3.286 2.721 75 H ILE 10 H ILE 10 2.324 2.200 -0.549 76 HA ILE 10 HA ILE 10 0.723 4.537 -0.150 77 HB ILE 10 HB ILE 10 0.730 2.474 -2.380 78 HG12 ILE 10 2HG1 ILE 10 2.819 3.715 -2.307 79 HG13 ILE 10 1HG1 ILE 10 1.877 4.214 -3.705 80 HG21 ILE 10 1HG2 ILE 10 -0.676 5.117 -2.271 81 HG22 ILE 10 2HG2 ILE 10 -1.432 3.522 -2.242 82 HG23 ILE 10 3HG2 ILE 10 -0.570 4.064 -3.685 83 HD11 ILE 10 1HD1 ILE 10 2.939 6.119 -2.657 84 HD12 ILE 10 2HD1 ILE 10 2.186 5.730 -1.113 85 HD13 ILE 10 3HD1 ILE 10 1.187 6.236 -2.476 86 H CYS 11 H CYS 11 -1.150 4.520 0.876 87 HA CYS 11 HA CYS 11 -2.558 1.988 1.151 88 HB2 CYS 11 2HB CYS 11 -2.330 4.314 3.041 89 HB3 CYS 11 1HB CYS 11 -3.595 3.101 3.188 90 H PHE 12 H PHE 12 -4.345 1.847 0.195 91 HA PHE 12 HA PHE 12 -5.788 4.250 -0.594 92 HB2 PHE 12 2HB PHE 12 -6.232 1.346 -1.358 93 HB3 PHE 12 1HB PHE 12 -7.150 2.705 -1.976 94 HD1 PHE 12 1HD PHE 12 -5.770 4.567 -3.167 95 HD2 PHE 12 2HD PHE 12 -4.414 0.579 -2.571 96 HE1 PHE 12 1HE PHE 12 -4.186 4.821 -5.038 97 HE2 PHE 12 2HE PHE 12 -2.840 0.829 -4.427 98 HZ PHE 12 HZ PHE 12 -2.719 2.954 -5.663 99 HA PRO 13 HA PRO 13 -8.341 3.896 3.018 100 HB2 PRO 13 2HB PRO 13 -10.661 4.994 1.936 101 HB3 PRO 13 1HB PRO 13 -9.327 5.908 2.642 102 HG2 PRO 13 2HG PRO 13 -9.912 5.310 -0.220 103 HG3 PRO 13 1HG PRO 13 -9.277 6.797 0.504 104 HD2 PRO 13 2HD PRO 13 -7.684 5.084 -0.804 105 HD3 PRO 13 1HD PRO 13 -7.117 5.943 0.646 106 H ASP 14 H ASP 14 -9.261 2.458 0.023 107 HA ASP 14 HA ASP 14 -11.566 1.028 0.825 108 HB2 ASP 14 2HB ASP 14 -10.956 1.242 -1.520 109 HB3 ASP 14 1HB ASP 14 -9.467 0.350 -1.244 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -8.114 0.450 1.899 2 HA2 GLY 1 2HA GLY 1 -7.301 -1.264 3.278 3 HA3 GLY 1 1HA GLY 1 -8.570 -2.324 2.674 4 H ARG 2 H ARG 2 -6.195 -0.357 0.993 5 HA ARG 2 HA ARG 2 -4.891 -2.788 0.105 6 HB2 ARG 2 2HB ARG 2 -6.519 -2.275 -1.666 7 HB3 ARG 2 1HB ARG 2 -5.881 -0.650 -1.793 8 HG2 ARG 2 2HG ARG 2 -5.121 -2.051 -3.640 9 HG3 ARG 2 1HG ARG 2 -3.765 -1.532 -2.646 10 HD2 ARG 2 2HD ARG 2 -5.103 -4.209 -2.284 11 HD3 ARG 2 1HD ARG 2 -3.788 -3.969 -3.430 12 HE ARG 2 HE ARG 2 -2.567 -3.110 -1.336 13 HH11 ARG 2 1HH1 ARG 2 -4.887 -5.810 -1.307 14 HH12 ARG 2 2HH1 ARG 2 -4.103 -6.632 -0.047 15 HH21 ARG 2 1HH2 ARG 2 -1.514 -4.292 0.456 16 HH22 ARG 2 2HH2 ARG 2 -2.159 -5.790 0.925 17 H CYS 3 H CYS 3 -3.222 -2.283 1.369 18 HA CYS 3 HA CYS 3 -1.791 0.154 0.654 19 HB2 CYS 3 2HB CYS 3 -1.787 -1.259 3.333 20 HB3 CYS 3 1HB CYS 3 -1.111 0.327 2.965 21 H TYR 4 H TYR 4 0.322 -0.061 0.249 22 HA TYR 4 HA TYR 4 1.200 -2.768 -0.305 23 HB2 TYR 4 2HB TYR 4 2.472 -0.091 -0.944 24 HB3 TYR 4 1HB TYR 4 3.077 -1.652 -1.499 25 HD1 TYR 4 1HD TYR 4 0.432 0.852 -1.857 26 HD2 TYR 4 2HD TYR 4 1.929 -2.854 -3.291 27 HE1 TYR 4 1HE TYR 4 -1.048 1.023 -3.777 28 HE2 TYR 4 2HE TYR 4 0.436 -2.706 -5.235 29 HH TYR 4 HH TYR 4 -1.165 0.143 -6.094 30 H LYS 5 H LYS 5 2.874 -3.767 0.701 31 HA LYS 5 HA LYS 5 3.411 -2.825 3.352 32 HB2 LYS 5 2HB LYS 5 3.065 -5.235 2.765 33 HB3 LYS 5 1HB LYS 5 4.599 -5.205 1.914 34 HG2 LYS 5 2HG LYS 5 4.935 -6.202 4.066 35 HG3 LYS 5 1HG LYS 5 5.713 -4.618 4.054 36 HD2 LYS 5 2HD LYS 5 3.807 -3.667 5.250 37 HD3 LYS 5 1HD LYS 5 3.003 -5.237 5.228 38 HE2 LYS 5 2HE LYS 5 4.011 -4.952 7.382 39 HE3 LYS 5 1HE LYS 5 4.925 -6.160 6.493 40 HZ1 LYS 5 1HZ LYS 5 5.722 -3.318 6.809 41 HZ2 LYS 5 2HZ LYS 5 6.603 -4.499 5.984 42 HZ3 LYS 5 3HZ LYS 5 6.377 -4.622 7.644 43 H SER 6 H SER 6 5.120 -3.058 0.338 44 HA SER 6 HA SER 6 7.593 -2.149 1.496 45 HB2 SER 6 2HB SER 6 6.833 -2.673 -1.384 46 HB3 SER 6 1HB SER 6 8.464 -2.366 -0.785 47 HG SER 6 HG SER 6 7.240 -4.683 -0.946 48 H LYS 7 H LYS 7 8.451 -0.177 1.230 49 HA LYS 7 HA LYS 7 6.619 1.996 0.851 50 HB2 LYS 7 2HB LYS 7 9.591 1.960 1.408 51 HB3 LYS 7 1HB LYS 7 8.554 3.377 1.497 52 HG2 LYS 7 2HG LYS 7 7.307 2.389 3.328 53 HG3 LYS 7 1HG LYS 7 8.269 0.916 3.206 54 HD2 LYS 7 2HD LYS 7 10.284 2.189 3.773 55 HD3 LYS 7 1HD LYS 7 9.321 3.660 3.887 56 HE2 LYS 7 2HE LYS 7 9.770 2.696 6.106 57 HE3 LYS 7 1HE LYS 7 8.048 2.721 5.737 58 HZ1 LYS 7 1HZ LYS 7 8.160 0.362 5.208 59 HZ2 LYS 7 2HZ LYS 7 8.752 0.620 6.753 60 HZ3 LYS 7 3HZ LYS 7 9.816 0.339 5.489 61 HA PRO 8 HA PRO 8 7.095 4.621 0.139 62 HB2 PRO 8 2HB PRO 8 5.243 5.450 -1.739 63 HB3 PRO 8 1HB PRO 8 6.887 6.072 -1.615 64 HG2 PRO 8 2HG PRO 8 5.789 3.964 -3.430 65 HG3 PRO 8 1HG PRO 8 6.944 5.260 -3.792 66 HD2 PRO 8 2HD PRO 8 7.776 2.757 -3.425 67 HD3 PRO 8 1HD PRO 8 8.712 4.129 -2.795 68 HA PRO 9 HA PRO 9 3.631 2.166 1.385 69 HB2 PRO 9 2HB PRO 9 2.893 3.617 3.561 70 HB3 PRO 9 1HB PRO 9 4.274 2.517 3.562 71 HG2 PRO 9 2HG PRO 9 4.218 5.485 3.374 72 HG3 PRO 9 1HG PRO 9 5.416 4.429 4.139 73 HD2 PRO 9 2HD PRO 9 5.701 5.640 1.658 74 HD3 PRO 9 1HD PRO 9 6.615 4.232 2.220 75 H ILE 10 H ILE 10 2.438 2.657 -0.427 76 HA ILE 10 HA ILE 10 0.600 4.898 -0.303 77 HB ILE 10 HB ILE 10 0.818 2.694 -2.392 78 HG12 ILE 10 2HG1 ILE 10 2.894 3.986 -2.342 79 HG13 ILE 10 1HG1 ILE 10 1.991 4.345 -3.804 80 HG21 ILE 10 1HG2 ILE 10 -1.361 3.741 -2.366 81 HG22 ILE 10 2HG2 ILE 10 -0.474 4.190 -3.823 82 HG23 ILE 10 3HG2 ILE 10 -0.620 5.338 -2.489 83 HD11 ILE 10 1HD1 ILE 10 1.219 6.444 -2.782 84 HD12 ILE 10 2HD1 ILE 10 2.977 6.352 -2.886 85 HD13 ILE 10 3HD1 ILE 10 2.171 6.078 -1.342 86 H CYS 11 H CYS 11 -1.023 4.589 1.038 87 HA CYS 11 HA CYS 11 -2.130 1.895 1.321 88 HB2 CYS 11 2HB CYS 11 -0.908 2.786 3.308 89 HB3 CYS 11 1HB CYS 11 -2.029 4.131 3.354 90 H PHE 12 H PHE 12 -3.910 1.855 0.077 91 HA PHE 12 HA PHE 12 -5.530 4.204 -0.200 92 HB2 PHE 12 2HB PHE 12 -6.037 1.412 -1.236 93 HB3 PHE 12 1HB PHE 12 -6.944 2.836 -1.660 94 HD1 PHE 12 1HD PHE 12 -5.374 4.847 -2.531 95 HD2 PHE 12 2HD PHE 12 -4.492 0.706 -2.810 96 HE1 PHE 12 1HE PHE 12 -3.891 5.299 -4.440 97 HE2 PHE 12 2HE PHE 12 -3.008 1.142 -4.715 98 HZ PHE 12 HZ PHE 12 -2.701 3.443 -5.533 99 HA PRO 13 HA PRO 13 -8.076 3.674 3.381 100 HB2 PRO 13 2HB PRO 13 -10.219 4.673 1.605 101 HB3 PRO 13 1HB PRO 13 -9.683 5.285 3.168 102 HG2 PRO 13 2HG PRO 13 -9.067 6.516 0.859 103 HG3 PRO 13 1HG PRO 13 -7.978 6.519 2.250 104 HD2 PRO 13 2HD PRO 13 -7.730 5.029 -0.318 105 HD3 PRO 13 1HD PRO 13 -6.501 5.579 0.834 106 H ASP 14 H ASP 14 -9.038 2.327 0.305 107 HA ASP 14 HA ASP 14 -11.267 0.836 1.328 108 HB2 ASP 14 2HB ASP 14 -9.797 0.737 -1.287 109 HB3 ASP 14 1HB ASP 14 -11.026 -0.453 -0.884 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -8.184 0.573 1.582 2 HA2 GLY 1 2HA GLY 1 -7.670 -0.798 3.527 3 HA3 GLY 1 1HA GLY 1 -8.696 -2.046 2.830 4 H ARG 2 H ARG 2 -6.962 -0.516 0.473 5 HA ARG 2 HA ARG 2 -5.302 -2.867 0.165 6 HB2 ARG 2 2HB ARG 2 -6.609 -1.966 -1.740 7 HB3 ARG 2 1HB ARG 2 -5.650 -0.501 -1.682 8 HG2 ARG 2 2HG ARG 2 -4.891 -1.933 -3.472 9 HG3 ARG 2 1HG ARG 2 -3.645 -1.807 -2.233 10 HD2 ARG 2 2HD ARG 2 -3.887 -4.104 -3.055 11 HD3 ARG 2 1HD ARG 2 -4.277 -3.985 -1.343 12 HE ARG 2 HE ARG 2 -6.664 -3.708 -2.732 13 HH11 ARG 2 1HH1 ARG 2 -4.197 -6.209 -2.310 14 HH12 ARG 2 2HH1 ARG 2 -5.269 -7.515 -2.533 15 HH21 ARG 2 1HH2 ARG 2 -8.155 -5.529 -3.029 16 HH22 ARG 2 2HH2 ARG 2 -7.554 -7.107 -2.963 17 H CYS 3 H CYS 3 -3.665 -2.647 1.655 18 HA CYS 3 HA CYS 3 -2.049 -0.191 1.541 19 HB2 CYS 3 2HB CYS 3 -2.096 -2.328 3.684 20 HB3 CYS 3 1HB CYS 3 -1.105 -0.886 3.705 21 H TYR 4 H TYR 4 -0.072 -0.275 0.616 22 HA TYR 4 HA TYR 4 1.111 -2.906 0.224 23 HB2 TYR 4 2HB TYR 4 1.552 -0.285 -1.202 24 HB3 TYR 4 1HB TYR 4 2.616 -1.672 -1.404 25 HD1 TYR 4 1HD TYR 4 1.793 -3.719 -2.454 26 HD2 TYR 4 2HD TYR 4 -0.623 -0.230 -2.236 27 HE1 TYR 4 1HE TYR 4 0.317 -4.650 -4.154 28 HE2 TYR 4 2HE TYR 4 -2.112 -1.156 -3.947 29 HH TYR 4 HH TYR 4 -1.975 -4.415 -4.903 30 H LYS 5 H LYS 5 2.952 -3.412 1.099 31 HA LYS 5 HA LYS 5 3.967 -1.712 3.206 32 HB2 LYS 5 2HB LYS 5 3.459 -4.152 3.477 33 HB3 LYS 5 1HB LYS 5 4.763 -4.506 2.361 34 HG2 LYS 5 2HG LYS 5 6.378 -3.610 3.929 35 HG3 LYS 5 1HG LYS 5 5.072 -3.136 5.019 36 HD2 LYS 5 2HD LYS 5 4.394 -5.504 5.194 37 HD3 LYS 5 1HD LYS 5 5.764 -5.943 4.175 38 HE2 LYS 5 2HE LYS 5 7.310 -5.100 5.821 39 HE3 LYS 5 1HE LYS 5 5.980 -4.526 6.826 40 HZ1 LYS 5 1HZ LYS 5 5.267 -6.846 7.088 41 HZ2 LYS 5 2HZ LYS 5 6.833 -6.593 7.660 42 HZ3 LYS 5 3HZ LYS 5 6.603 -7.358 6.177 43 H SER 6 H SER 6 4.619 -2.373 -0.020 44 HA SER 6 HA SER 6 7.415 -2.150 -0.117 45 HB2 SER 6 2HB SER 6 5.353 -1.534 -2.231 46 HB3 SER 6 1HB SER 6 7.057 -1.920 -2.503 47 HG SER 6 HG SER 6 5.704 -3.753 -2.773 48 H LYS 7 H LYS 7 8.553 -0.479 0.323 49 HA LYS 7 HA LYS 7 7.603 2.084 0.991 50 HB2 LYS 7 2HB LYS 7 9.583 1.073 1.975 51 HB3 LYS 7 1HB LYS 7 10.349 1.025 0.396 52 HG2 LYS 7 2HG LYS 7 10.363 3.487 0.366 53 HG3 LYS 7 1HG LYS 7 9.669 3.490 1.988 54 HD2 LYS 7 2HD LYS 7 12.102 3.804 2.074 55 HD3 LYS 7 1HD LYS 7 11.629 2.287 2.837 56 HE2 LYS 7 2HE LYS 7 12.263 1.064 0.801 57 HE3 LYS 7 1HE LYS 7 12.719 2.583 0.029 58 HZ1 LYS 7 1HZ LYS 7 14.428 2.851 1.705 59 HZ2 LYS 7 2HZ LYS 7 14.611 1.378 0.892 60 HZ3 LYS 7 3HZ LYS 7 13.965 1.404 2.443 61 HA PRO 8 HA PRO 8 7.628 4.248 0.916 62 HB2 PRO 8 2HB PRO 8 5.809 5.821 -0.761 63 HB3 PRO 8 1HB PRO 8 7.133 6.383 0.260 64 HG2 PRO 8 2HG PRO 8 7.269 6.480 -2.432 65 HG3 PRO 8 1HG PRO 8 8.694 6.178 -1.424 66 HD2 PRO 8 2HD PRO 8 7.004 4.225 -2.934 67 HD3 PRO 8 1HD PRO 8 8.774 4.326 -2.824 68 HA PRO 9 HA PRO 9 4.146 1.554 1.266 69 HB2 PRO 9 2HB PRO 9 3.317 2.282 3.765 70 HB3 PRO 9 1HB PRO 9 4.703 1.234 3.465 71 HG2 PRO 9 2HG PRO 9 4.643 4.147 4.102 72 HG3 PRO 9 1HG PRO 9 5.768 2.903 4.665 73 HD2 PRO 9 2HD PRO 9 6.365 4.668 2.686 74 HD3 PRO 9 1HD PRO 9 7.054 3.037 2.761 75 H ILE 10 H ILE 10 2.458 1.938 0.093 76 HA ILE 10 HA ILE 10 0.891 4.372 0.542 77 HB ILE 10 HB ILE 10 -0.004 4.012 -1.760 78 HG12 ILE 10 2HG1 ILE 10 2.217 1.953 -1.987 79 HG13 ILE 10 1HG1 ILE 10 0.498 1.589 -1.943 80 HG21 ILE 10 1HG2 ILE 10 1.734 5.616 -1.363 81 HG22 ILE 10 2HG2 ILE 10 2.015 4.806 -2.913 82 HG23 ILE 10 3HG2 ILE 10 2.958 4.350 -1.489 83 HD11 ILE 10 1HD1 ILE 10 0.200 2.790 -4.055 84 HD12 ILE 10 2HD1 ILE 10 1.374 1.483 -4.207 85 HD13 ILE 10 3HD1 ILE 10 1.925 3.153 -4.086 86 H CYS 11 H CYS 11 -1.166 4.162 1.198 87 HA CYS 11 HA CYS 11 -2.415 1.601 0.715 88 HB2 CYS 11 2HB CYS 11 -1.670 1.585 3.080 89 HB3 CYS 11 1HB CYS 11 -2.603 3.054 3.365 90 H PHE 12 H PHE 12 -4.346 1.676 0.019 91 HA PHE 12 HA PHE 12 -5.545 4.290 -0.435 92 HB2 PHE 12 2HB PHE 12 -6.216 1.586 -1.640 93 HB3 PHE 12 1HB PHE 12 -6.878 3.129 -2.143 94 HD1 PHE 12 1HD PHE 12 -3.977 0.910 -2.313 95 HD2 PHE 12 2HD PHE 12 -5.523 4.724 -3.418 96 HE1 PHE 12 1HE PHE 12 -2.156 1.177 -3.949 97 HE2 PHE 12 2HE PHE 12 -3.707 4.987 -5.050 98 HZ PHE 12 HZ PHE 12 -2.021 3.217 -5.315 99 HA PRO 13 HA PRO 13 -8.347 3.728 3.012 100 HB2 PRO 13 2HB PRO 13 -10.576 4.941 1.819 101 HB3 PRO 13 1HB PRO 13 -9.328 5.737 2.778 102 HG2 PRO 13 2HG PRO 13 -9.562 5.476 -0.188 103 HG3 PRO 13 1HG PRO 13 -9.004 6.855 0.774 104 HD2 PRO 13 2HD PRO 13 -7.244 5.329 -0.490 105 HD3 PRO 13 1HD PRO 13 -6.908 5.878 1.166 106 H ASP 14 H ASP 14 -9.061 2.232 0.013 107 HA ASP 14 HA ASP 14 -11.465 0.910 0.881 108 HB2 ASP 14 2HB ASP 14 -10.926 1.149 -1.530 109 HB3 ASP 14 1HB ASP 14 -9.530 0.095 -1.312 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -8.193 0.682 1.976 2 HA2 GLY 1 2HA GLY 1 -7.644 -0.339 4.155 3 HA3 GLY 1 1HA GLY 1 -8.925 -1.494 3.828 4 H ARG 2 H ARG 2 -6.268 -0.254 1.837 5 HA ARG 2 HA ARG 2 -5.176 -2.933 1.649 6 HB2 ARG 2 2HB ARG 2 -6.843 -2.871 -0.147 7 HB3 ARG 2 1HB ARG 2 -6.169 -1.369 -0.752 8 HG2 ARG 2 2HG ARG 2 -5.489 -3.219 -2.153 9 HG3 ARG 2 1HG ARG 2 -4.087 -2.555 -1.316 10 HD2 ARG 2 2HD ARG 2 -3.982 -4.963 -1.291 11 HD3 ARG 2 1HD ARG 2 -4.256 -4.369 0.341 12 HE ARG 2 HE ARG 2 -6.652 -5.096 -1.101 13 HH11 ARG 2 1HH1 ARG 2 -4.224 -6.137 1.256 14 HH12 ARG 2 2HH1 ARG 2 -5.048 -7.571 1.650 15 HH21 ARG 2 1HH2 ARG 2 -7.771 -7.051 -0.508 16 HH22 ARG 2 2HH2 ARG 2 -7.094 -8.091 0.670 17 H CYS 3 H CYS 3 -3.024 -2.713 1.841 18 HA CYS 3 HA CYS 3 -1.714 -0.336 0.699 19 HB2 CYS 3 2HB CYS 3 -1.081 -1.667 3.346 20 HB3 CYS 3 1HB CYS 3 -0.136 -0.392 2.599 21 H TYR 4 H TYR 4 0.181 -0.818 -0.409 22 HA TYR 4 HA TYR 4 0.900 -3.642 -0.462 23 HB2 TYR 4 2HB TYR 4 1.914 -1.335 -2.159 24 HB3 TYR 4 1HB TYR 4 2.517 -2.977 -2.275 25 HD1 TYR 4 1HD TYR 4 0.339 -0.696 -3.756 26 HD2 TYR 4 2HD TYR 4 0.533 -4.783 -2.585 27 HE1 TYR 4 1HE TYR 4 -1.402 -1.243 -5.384 28 HE2 TYR 4 2HE TYR 4 -1.206 -5.336 -4.210 29 HH TYR 4 HH TYR 4 -3.017 -4.211 -5.372 30 H LYS 5 H LYS 5 2.812 -4.417 0.293 31 HA LYS 5 HA LYS 5 3.973 -2.779 2.348 32 HB2 LYS 5 2HB LYS 5 4.547 -5.646 1.598 33 HB3 LYS 5 1HB LYS 5 5.247 -4.796 2.968 34 HG2 LYS 5 2HG LYS 5 2.998 -4.509 3.921 35 HG3 LYS 5 1HG LYS 5 2.323 -5.399 2.558 36 HD2 LYS 5 2HD LYS 5 2.567 -6.857 4.503 37 HD3 LYS 5 1HD LYS 5 3.644 -7.375 3.206 38 HE2 LYS 5 2HE LYS 5 5.520 -6.271 4.314 39 HE3 LYS 5 1HE LYS 5 4.447 -5.694 5.586 40 HZ1 LYS 5 1HZ LYS 5 5.025 -8.538 4.973 41 HZ2 LYS 5 2HZ LYS 5 4.054 -7.982 6.232 42 HZ3 LYS 5 3HZ LYS 5 5.693 -7.658 6.234 43 H SER 6 H SER 6 4.897 -1.261 1.071 44 HA SER 6 HA SER 6 7.644 -1.818 0.363 45 HB2 SER 6 2HB SER 6 5.651 -0.502 -1.505 46 HB3 SER 6 1HB SER 6 7.377 -0.675 -1.814 47 HG SER 6 HG SER 6 6.420 -3.028 -1.159 48 H LYS 7 H LYS 7 8.754 0.388 0.158 49 HA LYS 7 HA LYS 7 7.162 2.463 1.444 50 HB2 LYS 7 2HB LYS 7 10.038 1.767 2.045 51 HB3 LYS 7 1HB LYS 7 9.300 3.288 2.524 52 HG2 LYS 7 2HG LYS 7 7.617 2.015 3.822 53 HG3 LYS 7 1HG LYS 7 8.473 0.531 3.394 54 HD2 LYS 7 2HD LYS 7 10.468 1.336 4.511 55 HD3 LYS 7 1HD LYS 7 9.664 2.857 4.884 56 HE2 LYS 7 2HE LYS 7 9.678 1.362 6.819 57 HE3 LYS 7 1HE LYS 7 8.038 1.691 6.268 58 HZ1 LYS 7 1HZ LYS 7 7.958 -0.468 5.231 59 HZ2 LYS 7 2HZ LYS 7 8.441 -0.660 6.833 60 HZ3 LYS 7 3HZ LYS 7 9.577 -0.760 5.611 61 HA PRO 8 HA PRO 8 7.069 4.739 1.695 62 HB2 PRO 8 2HB PRO 8 5.561 6.057 -0.462 63 HB3 PRO 8 1HB PRO 8 6.360 6.779 0.939 64 HG2 PRO 8 2HG PRO 8 7.339 7.090 -1.538 65 HG3 PRO 8 1HG PRO 8 8.407 6.902 -0.136 66 HD2 PRO 8 2HD PRO 8 7.588 4.864 -2.164 67 HD3 PRO 8 1HD PRO 8 9.200 5.201 -1.494 68 HA PRO 9 HA PRO 9 3.855 1.726 1.281 69 HB2 PRO 9 2HB PRO 9 2.206 2.605 3.274 70 HB3 PRO 9 1HB PRO 9 3.683 1.676 3.556 71 HG2 PRO 9 2HG PRO 9 3.233 4.620 3.752 72 HG3 PRO 9 1HG PRO 9 4.175 3.564 4.816 73 HD2 PRO 9 2HD PRO 9 5.317 5.142 2.954 74 HD3 PRO 9 1HD PRO 9 5.994 3.566 3.412 75 H ILE 10 H ILE 10 2.620 1.816 -0.392 76 HA ILE 10 HA ILE 10 0.906 4.085 -0.888 77 HB ILE 10 HB ILE 10 2.050 3.308 -2.830 78 HG12 ILE 10 2HG1 ILE 10 0.214 2.608 -4.391 79 HG13 ILE 10 1HG1 ILE 10 -0.824 2.377 -2.992 80 HG21 ILE 10 1HG2 ILE 10 2.721 1.138 -2.200 81 HG22 ILE 10 2HG2 ILE 10 1.875 1.036 -3.748 82 HG23 ILE 10 3HG2 ILE 10 1.057 0.564 -2.253 83 HD11 ILE 10 1HD1 ILE 10 -1.254 4.498 -4.099 84 HD12 ILE 10 2HD1 ILE 10 0.423 4.984 -3.843 85 HD13 ILE 10 3HD1 ILE 10 -0.650 4.743 -2.461 86 H CYS 11 H CYS 11 -0.878 4.138 0.204 87 HA CYS 11 HA CYS 11 -2.352 1.656 0.622 88 HB2 CYS 11 2HB CYS 11 -2.210 4.137 2.323 89 HB3 CYS 11 1HB CYS 11 -3.374 2.842 2.572 90 H PHE 12 H PHE 12 -4.407 1.559 0.172 91 HA PHE 12 HA PHE 12 -5.668 3.822 -1.183 92 HB2 PHE 12 2HB PHE 12 -6.378 0.871 -1.292 93 HB3 PHE 12 1HB PHE 12 -7.089 2.160 -2.256 94 HD1 PHE 12 1HD PHE 12 -4.465 -0.251 -2.015 95 HD2 PHE 12 2HD PHE 12 -5.615 3.377 -3.914 96 HE1 PHE 12 1HE PHE 12 -2.772 -0.628 -3.746 97 HE2 PHE 12 2HE PHE 12 -3.923 3.008 -5.648 98 HZ PHE 12 HZ PHE 12 -2.493 1.005 -5.571 99 HA PRO 13 HA PRO 13 -8.002 4.286 2.544 100 HB2 PRO 13 2HB PRO 13 -10.204 5.565 1.556 101 HB3 PRO 13 1HB PRO 13 -8.637 6.344 1.809 102 HG2 PRO 13 2HG PRO 13 -9.801 5.212 -0.709 103 HG3 PRO 13 1HG PRO 13 -8.954 6.750 -0.463 104 HD2 PRO 13 2HD PRO 13 -7.707 4.639 -1.525 105 HD3 PRO 13 1HD PRO 13 -6.865 5.737 -0.409 106 H ASP 14 H ASP 14 -8.880 2.032 0.358 107 HA ASP 14 HA ASP 14 -11.494 1.387 1.487 108 HB2 ASP 14 2HB ASP 14 -11.090 0.941 -0.903 109 HB3 ASP 14 1HB ASP 14 -9.777 -0.152 -0.480 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -8.001 0.599 2.216 2 HA2 GLY 1 2HA GLY 1 -7.621 -1.079 4.035 3 HA3 GLY 1 1HA GLY 1 -8.486 -2.204 3.003 4 H ARG 2 H ARG 2 -7.317 -1.613 0.572 5 HA ARG 2 HA ARG 2 -5.009 -3.198 0.697 6 HB2 ARG 2 2HB ARG 2 -6.283 -3.222 -1.314 7 HB3 ARG 2 1HB ARG 2 -6.114 -1.489 -1.529 8 HG2 ARG 2 2HG ARG 2 -4.727 -2.724 -3.126 9 HG3 ARG 2 1HG ARG 2 -3.740 -1.770 -2.031 10 HD2 ARG 2 2HD ARG 2 -2.740 -3.947 -2.379 11 HD3 ARG 2 1HD ARG 2 -3.270 -3.787 -0.709 12 HE ARG 2 HE ARG 2 -5.242 -5.043 -2.333 13 HH11 ARG 2 1HH1 ARG 2 -2.196 -5.653 -0.619 14 HH12 ARG 2 2HH1 ARG 2 -2.436 -7.325 -0.467 15 HH21 ARG 2 1HH2 ARG 2 -5.577 -7.383 -2.135 16 HH22 ARG 2 2HH2 ARG 2 -4.422 -8.338 -1.342 17 H CYS 3 H CYS 3 -3.039 -2.783 1.279 18 HA CYS 3 HA CYS 3 -1.885 -0.164 0.757 19 HB2 CYS 3 2HB CYS 3 -1.784 -1.751 3.311 20 HB3 CYS 3 1HB CYS 3 -0.539 -0.581 2.902 21 H TYR 4 H TYR 4 -0.040 -0.271 -0.240 22 HA TYR 4 HA TYR 4 1.226 -2.833 -0.668 23 HB2 TYR 4 2HB TYR 4 1.933 -0.039 -1.626 24 HB3 TYR 4 1HB TYR 4 2.806 -1.493 -2.083 25 HD1 TYR 4 1HD TYR 4 -0.482 0.226 -2.383 26 HD2 TYR 4 2HD TYR 4 2.034 -2.880 -3.825 27 HE1 TYR 4 1HE TYR 4 -1.993 -0.113 -4.261 28 HE2 TYR 4 2HE TYR 4 0.523 -3.231 -5.716 29 HH TYR 4 HH TYR 4 -1.852 -1.050 -6.589 30 H LYS 5 H LYS 5 2.605 -3.533 0.734 31 HA LYS 5 HA LYS 5 3.398 -1.833 2.938 32 HB2 LYS 5 2HB LYS 5 3.720 -4.794 2.503 33 HB3 LYS 5 1HB LYS 5 4.137 -3.933 3.980 34 HG2 LYS 5 2HG LYS 5 1.784 -3.255 4.229 35 HG3 LYS 5 1HG LYS 5 1.385 -4.167 2.774 36 HD2 LYS 5 2HD LYS 5 0.836 -5.484 4.732 37 HD3 LYS 5 1HD LYS 5 2.186 -6.221 3.877 38 HE2 LYS 5 2HE LYS 5 2.532 -6.233 6.303 39 HE3 LYS 5 1HE LYS 5 3.761 -5.282 5.483 40 HZ1 LYS 5 1HZ LYS 5 2.971 -4.187 7.464 41 HZ2 LYS 5 2HZ LYS 5 1.386 -4.203 6.930 42 HZ3 LYS 5 3HZ LYS 5 2.538 -3.264 6.129 43 H SER 6 H SER 6 4.649 -1.502 0.383 44 HA SER 6 HA SER 6 7.436 -2.225 0.851 45 HB2 SER 6 2HB SER 6 6.114 -0.728 -1.426 46 HB3 SER 6 1HB SER 6 7.743 -1.398 -1.423 47 HG SER 6 HG SER 6 6.166 -2.669 -2.509 48 H LYS 7 H LYS 7 8.815 -0.069 0.083 49 HA LYS 7 HA LYS 7 7.555 2.198 1.399 50 HB2 LYS 7 2HB LYS 7 9.789 3.046 2.023 51 HB3 LYS 7 1HB LYS 7 9.510 1.458 2.709 52 HG2 LYS 7 2HG LYS 7 10.919 0.444 1.055 53 HG3 LYS 7 1HG LYS 7 11.115 1.982 0.220 54 HD2 LYS 7 2HD LYS 7 12.150 2.890 2.307 55 HD3 LYS 7 1HD LYS 7 12.089 1.262 2.986 56 HE2 LYS 7 2HE LYS 7 14.294 1.722 2.057 57 HE3 LYS 7 1HE LYS 7 13.492 0.453 1.140 58 HZ1 LYS 7 1HZ LYS 7 14.572 2.064 -0.306 59 HZ2 LYS 7 2HZ LYS 7 13.656 3.314 0.322 60 HZ3 LYS 7 3HZ LYS 7 12.911 2.096 -0.553 61 HA PRO 8 HA PRO 8 7.283 4.215 1.360 62 HB2 PRO 8 2HB PRO 8 5.601 5.901 0.120 63 HB3 PRO 8 1HB PRO 8 7.313 6.293 0.318 64 HG2 PRO 8 2HG PRO 8 5.882 5.231 -2.081 65 HG3 PRO 8 1HG PRO 8 7.118 6.494 -1.989 66 HD2 PRO 8 2HD PRO 8 7.639 3.913 -2.709 67 HD3 PRO 8 1HD PRO 8 8.836 4.980 -1.955 68 HA PRO 9 HA PRO 9 3.743 1.492 1.182 69 HB2 PRO 9 2HB PRO 9 2.247 2.734 3.163 70 HB3 PRO 9 1HB PRO 9 3.449 1.478 3.445 71 HG2 PRO 9 2HG PRO 9 3.657 4.413 3.810 72 HG3 PRO 9 1HG PRO 9 4.476 3.112 4.679 73 HD2 PRO 9 2HD PRO 9 5.684 4.673 2.790 74 HD3 PRO 9 1HD PRO 9 6.189 3.014 3.164 75 H ILE 10 H ILE 10 2.188 1.566 -0.217 76 HA ILE 10 HA ILE 10 0.898 4.131 -0.846 77 HB ILE 10 HB ILE 10 1.089 1.605 -2.534 78 HG12 ILE 10 2HG1 ILE 10 2.474 4.274 -2.899 79 HG13 ILE 10 1HG1 ILE 10 3.240 2.827 -2.261 80 HG21 ILE 10 1HG2 ILE 10 0.146 2.966 -4.348 81 HG22 ILE 10 2HG2 ILE 10 -0.036 4.317 -3.231 82 HG23 ILE 10 3HG2 ILE 10 -0.969 2.842 -2.984 83 HD11 ILE 10 1HD1 ILE 10 2.093 3.159 -5.021 84 HD12 ILE 10 2HD1 ILE 10 2.864 1.699 -4.398 85 HD13 ILE 10 3HD1 ILE 10 3.805 3.180 -4.596 86 H CYS 11 H CYS 11 -0.982 4.306 0.212 87 HA CYS 11 HA CYS 11 -2.507 1.852 0.590 88 HB2 CYS 11 2HB CYS 11 -2.214 4.214 2.404 89 HB3 CYS 11 1HB CYS 11 -3.528 3.056 2.558 90 H PHE 12 H PHE 12 -4.473 1.712 0.050 91 HA PHE 12 HA PHE 12 -5.865 4.066 -0.965 92 HB2 PHE 12 2HB PHE 12 -6.524 1.115 -1.324 93 HB3 PHE 12 1HB PHE 12 -7.332 2.461 -2.111 94 HD1 PHE 12 1HD PHE 12 -4.854 4.040 -2.910 95 HD2 PHE 12 2HD PHE 12 -5.795 -0.104 -3.185 96 HE1 PHE 12 1HE PHE 12 -3.333 3.822 -4.827 97 HE2 PHE 12 2HE PHE 12 -4.276 -0.325 -5.092 98 HZ PHE 12 HZ PHE 12 -3.040 1.636 -5.921 99 HA PRO 13 HA PRO 13 -7.819 4.030 2.984 100 HB2 PRO 13 2HB PRO 13 -10.113 5.387 2.413 101 HB3 PRO 13 1HB PRO 13 -8.529 6.154 2.556 102 HG2 PRO 13 2HG PRO 13 -9.982 5.277 0.090 103 HG3 PRO 13 1HG PRO 13 -9.131 6.803 0.397 104 HD2 PRO 13 2HD PRO 13 -8.000 4.839 -1.025 105 HD3 PRO 13 1HD PRO 13 -7.041 5.839 0.087 106 H ASP 14 H ASP 14 -8.844 2.048 0.657 107 HA ASP 14 HA ASP 14 -11.216 1.143 2.108 108 HB2 ASP 14 2HB ASP 14 -10.282 0.593 -0.696 109 HB3 ASP 14 1HB ASP 14 -11.490 -0.421 0.084
Contact the webmaster for help, if required. Sunday, June 16, 2024 2:42:03 PM GMT (wattos1)