NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17157 | 2bc8 | 6896 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H GLY 1 -8.741 3.211 1.692 2 1HA GLY 1 2HA GLY 1 -9.904 1.420 0.504 3 2HA GLY 1 1HA GLY 1 -9.721 2.800 -0.570 4 1HN SEC 2 H SEC 2 -6.920 2.516 -0.989 5 HA SEC 2 HA SEC 2 -6.950 0.228 -2.819 6 1HB SEC 2 1HB SEC 2 -5.060 2.602 -2.662 7 2HB SEC 2 2HB SEC 2 -6.400 2.436 -3.797 8 1HN SEC 3 H SEC 3 -6.813 -0.599 -0.349 9 HA SEC 3 HA SEC 3 -4.035 -0.746 0.498 10 1HB SEC 3 1HB SEC 3 -6.166 -2.179 1.946 11 2HB SEC 3 2HB SEC 3 -6.304 -0.421 1.886 12 H SER 4 H SER 4 -5.600 -2.335 -1.718 13 HA SER 4 HA SER 4 -5.032 -5.066 -0.937 14 1HB SER 4 2HB SER 4 -6.087 -4.066 -3.582 15 2HB SER 4 1HB SER 4 -6.193 -5.704 -2.936 16 HG SER 4 HG SER 4 -7.972 -5.103 -2.019 17 H ASP 5 H ASP 5 -2.742 -3.211 -1.409 18 HA ASP 5 HA ASP 5 -1.205 -5.012 -3.084 19 1HB ASP 5 2HB ASP 5 -1.943 -3.427 -4.779 20 2HB ASP 5 1HB ASP 5 -1.458 -2.072 -3.770 21 HA PRO 6 HA PRO 6 1.749 -4.267 0.129 22 1HB PRO 6 2HB PRO 6 4.058 -4.451 -1.427 23 2HB PRO 6 1HB PRO 6 3.228 -5.798 -0.644 24 1HG PRO 6 2HG PRO 6 3.056 -4.848 -3.469 25 2HG PRO 6 1HG PRO 6 3.046 -6.505 -2.837 26 1HD PRO 6 2HD PRO 6 0.791 -5.333 -3.656 27 2HD PRO 6 1HD PRO 6 0.803 -6.389 -2.228 28 H ARG 7 H ARG 7 1.937 -2.440 -2.882 29 HA ARG 7 HA ARG 7 3.453 -0.311 -1.521 30 1HB ARG 7 2HB ARG 7 2.837 -0.797 -4.422 31 2HB ARG 7 1HB ARG 7 3.624 0.646 -3.801 32 1HG ARG 7 2HG ARG 7 5.580 -0.376 -3.541 33 2HG ARG 7 1HG ARG 7 4.836 -1.848 -2.914 34 1HD ARG 7 2HD ARG 7 5.184 -1.026 -5.792 35 2HD ARG 7 1HD ARG 7 5.855 -2.440 -4.981 36 HE ARG 7 HE ARG 7 3.007 -2.478 -4.894 37 1HH1 ARG 7 1HH1 ARG 7 5.703 -3.031 -7.061 38 2HH1 ARG 7 2HH1 ARG 7 4.833 -4.138 -8.068 39 1HH2 ARG 7 1HH2 ARG 7 1.846 -3.943 -6.202 40 2HH2 ARG 7 2HH2 ARG 7 2.635 -4.655 -7.582 41 1HN SEC 8 H SEC 8 0.518 -1.029 -1.475 42 HA SEC 8 HA SEC 8 -0.433 1.707 -1.831 43 1HB SEC 8 1HB SEC 8 -2.499 -0.281 -2.387 44 2HB SEC 8 2HB SEC 8 -1.148 -0.374 -3.519 45 H ALA 9 H ALA 9 -0.101 -1.093 -0.008 46 HA ALA 9 HA ALA 9 -2.286 -0.897 1.764 47 1HB ALA 9 1HB ALA 9 -1.296 -2.597 2.902 48 2HB ALA 9 2HB ALA 9 0.293 -1.833 2.858 49 3HB ALA 9 3HB ALA 9 -0.305 -2.707 1.447 50 H TRP 10 H TRP 10 0.979 0.397 1.728 51 HA TRP 10 HA TRP 10 0.352 2.074 4.007 52 1HB TRP 10 2HB TRP 10 2.757 2.948 3.541 53 2HB TRP 10 1HB TRP 10 2.504 1.412 4.335 54 HD1 TRP 10 HD TRP 10 4.012 -0.412 3.544 55 HE1 TRP 10 1HE TRP 10 5.440 -0.894 1.469 56 HE3 TRP 10 3HE TRP 10 2.545 3.504 0.564 57 HZ2 TRP 10 2HZ TRP 10 5.914 0.227 -1.060 58 HZ3 TRP 10 3HZ TRP 10 3.559 3.728 -1.651 59 HH2 TRP 10 HH TRP 10 5.204 2.117 -2.454 60 H ARG 11 H ARG 11 -1.157 2.400 1.739 61 HA ARG 11 HA ARG 11 -0.631 5.209 1.165 62 1HB ARG 11 2HB ARG 11 0.170 3.713 -0.751 63 2HB ARG 11 1HB ARG 11 -1.523 3.318 -1.013 64 1HG ARG 11 2HG ARG 11 -1.908 5.828 -1.203 65 2HG ARG 11 1HG ARG 11 -0.154 5.967 -1.327 66 1HD ARG 11 2HD ARG 11 -2.010 4.466 -3.164 67 2HD ARG 11 1HD ARG 11 -1.074 5.910 -3.540 68 HE ARG 11 HE ARG 11 0.653 3.819 -2.743 69 1HH1 ARG 11 1HH1 ARG 11 -1.370 4.823 -5.413 70 2HH1 ARG 11 2HH1 ARG 11 -0.476 3.936 -6.599 71 1HH2 ARG 11 1HH2 ARG 11 1.831 2.625 -4.296 72 2HH2 ARG 11 2HH2 ARG 11 1.356 2.683 -5.963 73 1HN SEC 12 H SEC 12 -2.667 2.686 2.049 74 HA SEC 12 HA SEC 12 -5.161 3.879 1.222 75 1HB SEC 12 1HB SEC 12 -4.676 1.355 1.372 76 2HB SEC 12 2HB SEC 12 -6.199 1.916 2.064 Start of MODEL 2 1 1H GLY 1 H GLY 1 -8.880 3.691 0.848 2 1HA GLY 1 2HA GLY 1 -10.070 1.804 -0.244 3 2HA GLY 1 1HA GLY 1 -9.641 3.055 -1.402 4 1HN SEC 2 H SEC 2 -6.827 2.490 -1.367 5 HA SEC 2 HA SEC 2 -6.832 0.064 -2.997 6 1HB SEC 2 1HB SEC 2 -4.599 2.103 -2.766 7 2HB SEC 2 2HB SEC 2 -5.908 2.257 -3.940 8 1HN SEC 3 H SEC 3 -7.127 -0.745 -0.669 9 HA SEC 3 HA SEC 3 -4.609 -0.887 0.783 10 1HB SEC 3 1HB SEC 3 -7.023 -2.277 1.738 11 2HB SEC 3 2HB SEC 3 -7.127 -0.519 1.626 12 H SER 4 H SER 4 -5.517 -2.491 -1.726 13 HA SER 4 HA SER 4 -4.938 -5.170 -0.674 14 1HB SER 4 2HB SER 4 -6.223 -4.463 -3.312 15 2HB SER 4 1HB SER 4 -6.094 -6.068 -2.592 16 HG SER 4 HG SER 4 -7.373 -5.240 -0.834 17 H ASP 5 H ASP 5 -2.790 -3.248 -1.336 18 HA ASP 5 HA ASP 5 -1.239 -5.058 -2.989 19 1HB ASP 5 2HB ASP 5 -2.095 -3.634 -4.750 20 2HB ASP 5 1HB ASP 5 -1.675 -2.186 -3.855 21 HA PRO 6 HA PRO 6 1.857 -4.086 0.013 22 1HB PRO 6 2HB PRO 6 3.747 -4.187 -2.288 23 2HB PRO 6 1HB PRO 6 3.820 -5.025 -0.735 24 1HG PRO 6 2HG PRO 6 3.098 -6.330 -2.933 25 2HG PRO 6 1HG PRO 6 2.291 -6.646 -1.386 26 1HD PRO 6 2HD PRO 6 1.329 -5.094 -3.746 27 2HD PRO 6 1HD PRO 6 0.420 -6.128 -2.626 28 H ARG 7 H ARG 7 1.931 -2.337 -3.064 29 HA ARG 7 HA ARG 7 3.375 -0.090 -1.856 30 1HB ARG 7 2HB ARG 7 2.415 -0.634 -4.655 31 2HB ARG 7 1HB ARG 7 3.178 0.865 -4.149 32 1HG ARG 7 2HG ARG 7 5.221 -0.033 -4.092 33 2HG ARG 7 1HG ARG 7 4.638 -1.575 -3.461 34 1HD ARG 7 2HD ARG 7 4.573 -0.612 -6.317 35 2HD ARG 7 1HD ARG 7 5.480 -1.977 -5.665 36 HE ARG 7 HE ARG 7 2.675 -2.299 -5.235 37 1HH1 ARG 7 1HH1 ARG 7 5.140 -2.537 -7.711 38 2HH1 ARG 7 2HH1 ARG 7 4.271 -3.709 -8.644 39 1HH2 ARG 7 1HH2 ARG 7 1.520 -3.852 -6.442 40 2HH2 ARG 7 2HH2 ARG 7 2.207 -4.454 -7.925 41 1HN SEC 8 H SEC 8 0.548 -1.019 -1.467 42 HA SEC 8 HA SEC 8 -0.719 1.602 -1.734 43 1HB SEC 8 1HB SEC 8 -2.839 -0.047 -1.890 44 2HB SEC 8 2HB SEC 8 -1.615 -1.060 -2.640 45 H ALA 9 H ALA 9 0.021 -1.159 0.149 46 HA ALA 9 HA ALA 9 -1.911 -0.927 2.181 47 1HB ALA 9 1HB ALA 9 0.089 -1.976 3.559 48 2HB ALA 9 2HB ALA 9 0.761 -2.209 1.943 49 3HB ALA 9 3HB ALA 9 -0.799 -2.918 2.360 50 H TRP 10 H TRP 10 1.155 0.605 1.550 51 HA TRP 10 HA TRP 10 0.802 2.260 3.920 52 1HB TRP 10 2HB TRP 10 3.090 3.221 3.149 53 2HB TRP 10 1HB TRP 10 3.009 1.693 3.992 54 HD1 TRP 10 HD TRP 10 4.446 -0.116 3.031 55 HE1 TRP 10 1HE TRP 10 5.648 -0.561 0.810 56 HE3 TRP 10 3HE TRP 10 2.556 3.758 0.246 57 HZ2 TRP 10 2HZ TRP 10 5.807 0.571 -1.754 58 HZ3 TRP 10 3HZ TRP 10 3.309 4.009 -2.070 59 HH2 TRP 10 HH TRP 10 4.896 2.442 -3.055 60 H ARG 11 H ARG 11 -1.006 2.465 1.899 61 HA ARG 11 HA ARG 11 -0.647 5.259 1.124 62 1HB ARG 11 2HB ARG 11 -0.190 3.674 -0.834 63 2HB ARG 11 1HB ARG 11 -1.897 3.255 -0.759 64 1HG ARG 11 2HG ARG 11 -2.410 5.690 -1.047 65 2HG ARG 11 1HG ARG 11 -0.692 5.944 -1.357 66 1HD ARG 11 2HD ARG 11 -2.625 4.278 -2.956 67 2HD ARG 11 1HD ARG 11 -1.810 5.756 -3.461 68 HE ARG 11 HE ARG 11 0.064 3.728 -2.772 69 1HH1 ARG 11 1HH1 ARG 11 -2.106 4.775 -5.308 70 2HH1 ARG 11 2HH1 ARG 11 -1.270 3.921 -6.559 71 1HH2 ARG 11 1HH2 ARG 11 1.165 2.583 -4.407 72 2HH2 ARG 11 2HH2 ARG 11 0.599 2.669 -6.046 73 1HN SEC 12 H SEC 12 -2.677 2.499 1.821 74 HA SEC 12 HA SEC 12 -5.147 4.004 1.863 75 1HB SEC 12 1HB SEC 12 -5.238 1.697 1.108 76 2HB SEC 12 2HB SEC 12 -6.101 1.810 2.644 Start of MODEL 3 1 1H GLY 1 H GLY 1 -8.246 3.730 0.563 2 1HA GLY 1 2HA GLY 1 -9.790 1.949 -0.326 3 2HA GLY 1 1HA GLY 1 -9.262 3.098 -1.547 4 1HN SEC 2 H SEC 2 -6.564 2.173 -1.694 5 HA SEC 2 HA SEC 2 -7.008 -0.269 -3.273 6 1HB SEC 2 1HB SEC 2 -4.700 1.711 -3.167 7 2HB SEC 2 2HB SEC 2 -5.939 1.631 -4.415 8 1HN SEC 3 H SEC 3 -7.026 -0.339 -0.439 9 HA SEC 3 HA SEC 3 -4.602 -0.972 0.755 10 1HB SEC 3 1HB SEC 3 -7.047 -2.284 1.755 11 2HB SEC 3 2HB SEC 3 -7.079 -0.522 1.642 12 H SER 4 H SER 4 -5.842 -2.638 -1.666 13 HA SER 4 HA SER 4 -5.109 -5.291 -0.656 14 1HB SER 4 2HB SER 4 -6.460 -4.582 -3.266 15 2HB SER 4 1HB SER 4 -6.287 -6.193 -2.569 16 HG SER 4 HG SER 4 -7.495 -5.260 -0.721 17 H ASP 5 H ASP 5 -3.055 -3.311 -1.268 18 HA ASP 5 HA ASP 5 -1.443 -4.932 -3.060 19 1HB ASP 5 2HB ASP 5 -2.406 -3.413 -4.671 20 2HB ASP 5 1HB ASP 5 -2.031 -2.027 -3.655 21 HA PRO 6 HA PRO 6 1.647 -4.128 -0.041 22 1HB PRO 6 2HB PRO 6 3.514 -4.093 -2.353 23 2HB PRO 6 1HB PRO 6 3.586 -5.034 -0.859 24 1HG PRO 6 2HG PRO 6 2.836 -6.183 -3.131 25 2HG PRO 6 1HG PRO 6 2.024 -6.583 -1.606 26 1HD PRO 6 2HD PRO 6 1.096 -4.843 -3.850 27 2HD PRO 6 1HD PRO 6 0.168 -5.960 -2.829 28 H ARG 7 H ARG 7 1.900 -2.131 -3.000 29 HA ARG 7 HA ARG 7 3.406 -0.116 -1.509 30 1HB ARG 7 2HB ARG 7 3.782 1.001 -3.471 31 2HB ARG 7 1HB ARG 7 3.735 -0.668 -4.019 32 1HG ARG 7 2HG ARG 7 1.143 0.073 -4.332 33 2HG ARG 7 1HG ARG 7 1.971 1.602 -4.630 34 1HD ARG 7 2HD ARG 7 2.006 0.750 -6.745 35 2HD ARG 7 1HD ARG 7 3.504 0.043 -6.134 36 HE ARG 7 HE ARG 7 1.316 -1.668 -5.583 37 1HH1 ARG 7 1HH1 ARG 7 3.354 -0.616 -8.240 38 2HH1 ARG 7 2HH1 ARG 7 3.076 -2.043 -9.180 39 1HH2 ARG 7 1HH2 ARG 7 0.930 -3.521 -6.796 40 2HH2 ARG 7 2HH2 ARG 7 1.686 -3.711 -8.357 41 1HN SEC 8 H SEC 8 0.309 -0.906 -2.071 42 HA SEC 8 HA SEC 8 -0.799 1.757 -1.789 43 1HB SEC 8 1HB SEC 8 -2.973 0.418 -1.869 44 2HB SEC 8 2HB SEC 8 -1.964 -0.955 -2.291 45 H ALA 9 H ALA 9 -0.021 -1.039 0.011 46 HA ALA 9 HA ALA 9 -1.791 -0.802 2.173 47 1HB ALA 9 1HB ALA 9 0.733 -2.208 1.634 48 2HB ALA 9 2HB ALA 9 -0.739 -2.781 2.417 49 3HB ALA 9 3HB ALA 9 0.438 -1.836 3.333 50 H TRP 10 H TRP 10 1.171 0.778 1.302 51 HA TRP 10 HA TRP 10 1.093 2.289 3.783 52 1HB TRP 10 2HB TRP 10 3.290 3.256 2.979 53 2HB TRP 10 1HB TRP 10 3.267 1.578 3.457 54 HD1 TRP 10 HD TRP 10 4.403 -0.052 1.915 55 HE1 TRP 10 1HE TRP 10 5.427 0.050 -0.435 56 HE3 TRP 10 3HE TRP 10 2.726 4.562 0.470 57 HZ2 TRP 10 2HZ TRP 10 5.536 1.842 -2.603 58 HZ3 TRP 10 3HZ TRP 10 3.354 5.402 -1.748 59 HH2 TRP 10 HH TRP 10 4.725 4.064 -3.258 60 H ARG 11 H ARG 11 -0.851 2.505 1.725 61 HA ARG 11 HA ARG 11 -0.684 5.393 1.218 62 1HB ARG 11 2HB ARG 11 -1.731 3.256 -0.644 63 2HB ARG 11 1HB ARG 11 -2.160 4.949 -0.817 64 1HG ARG 11 2HG ARG 11 0.650 3.871 -0.916 65 2HG ARG 11 1HG ARG 11 -0.346 4.232 -2.325 66 1HD ARG 11 2HD ARG 11 1.051 6.109 -2.030 67 2HD ARG 11 1HD ARG 11 -0.532 6.591 -1.421 68 HE ARG 11 HE ARG 11 1.009 5.568 0.703 69 1HH1 ARG 11 1HH1 ARG 11 0.860 8.362 -1.404 70 2HH1 ARG 11 2HH1 ARG 11 1.591 9.428 -0.252 71 1HH2 ARG 11 1HH2 ARG 11 1.965 6.948 2.217 72 2HH2 ARG 11 2HH2 ARG 11 2.224 8.617 1.827 73 1HN SEC 12 H SEC 12 -2.641 2.528 1.806 74 HA SEC 12 HA SEC 12 -5.045 4.036 2.379 75 1HB SEC 12 1HB SEC 12 -5.245 1.836 1.320 76 2HB SEC 12 2HB SEC 12 -5.986 1.791 2.922 Start of MODEL 4 1 1H GLY 1 H GLY 1 -9.099 2.981 1.305 2 1HA GLY 1 2HA GLY 1 -10.061 1.271 -0.142 3 2HA GLY 1 1HA GLY 1 -9.746 2.710 -1.102 4 1HN SEC 2 H SEC 2 -6.901 2.446 -1.093 5 HA SEC 2 HA SEC 2 -6.639 0.324 -3.089 6 1HB SEC 2 1HB SEC 2 -4.623 2.479 -2.408 7 2HB SEC 2 2HB SEC 2 -5.934 2.734 -3.559 8 1HN SEC 3 H SEC 3 -6.907 -0.632 -0.600 9 HA SEC 3 HA SEC 3 -4.277 -1.069 0.552 10 1HB SEC 3 1HB SEC 3 -6.701 -2.402 1.607 11 2HB SEC 3 2HB SEC 3 -6.634 -0.643 1.726 12 H SER 4 H SER 4 -5.773 -2.359 -1.924 13 HA SER 4 HA SER 4 -5.416 -5.175 -1.322 14 1HB SER 4 2HB SER 4 -6.201 -3.917 -3.956 15 2HB SER 4 1HB SER 4 -6.456 -5.587 -3.447 16 HG SER 4 HG SER 4 -8.275 -4.931 -2.655 17 H ASP 5 H ASP 5 -3.119 -3.227 -1.559 18 HA ASP 5 HA ASP 5 -1.403 -4.959 -3.117 19 1HB ASP 5 2HB ASP 5 -1.876 -3.535 -4.917 20 2HB ASP 5 1HB ASP 5 -1.997 -2.114 -3.889 21 HA PRO 6 HA PRO 6 1.032 -4.105 0.490 22 1HB PRO 6 2HB PRO 6 3.314 -4.899 -1.231 23 2HB PRO 6 1HB PRO 6 2.806 -5.551 0.332 24 1HG PRO 6 2HG PRO 6 2.391 -6.916 -1.923 25 2HG PRO 6 1HG PRO 6 1.195 -6.922 -0.613 26 1HD PRO 6 2HD PRO 6 1.166 -5.428 -3.203 27 2HD PRO 6 1HD PRO 6 -0.173 -6.204 -2.333 28 H ARG 7 H ARG 7 2.091 -2.971 -2.662 29 HA ARG 7 HA ARG 7 3.895 -0.987 -1.680 30 1HB ARG 7 2HB ARG 7 4.053 -1.780 -3.968 31 2HB ARG 7 1HB ARG 7 2.400 -1.274 -4.277 32 1HG ARG 7 2HG ARG 7 3.337 1.089 -3.638 33 2HG ARG 7 1HG ARG 7 4.871 0.354 -4.121 34 1HD ARG 7 2HD ARG 7 3.519 1.556 -5.932 35 2HD ARG 7 1HD ARG 7 4.114 -0.065 -6.300 36 HE ARG 7 HE ARG 7 1.590 -0.410 -5.217 37 1HH1 ARG 7 1HH1 ARG 7 2.922 1.224 -8.019 38 2HH1 ARG 7 2HH1 ARG 7 1.512 0.966 -8.987 39 1HH2 ARG 7 1HH2 ARG 7 -0.230 -0.760 -6.455 40 2HH2 ARG 7 2HH2 ARG 7 -0.307 -0.174 -8.089 41 1HN SEC 8 H SEC 8 0.529 -1.180 -2.427 42 HA SEC 8 HA SEC 8 0.043 1.657 -2.081 43 1HB SEC 8 1HB SEC 8 -2.330 0.022 -2.242 44 2HB SEC 8 2HB SEC 8 -1.175 -0.425 -3.494 45 H ALA 9 H ALA 9 0.540 -0.804 -0.036 46 HA ALA 9 HA ALA 9 -1.597 -0.557 1.806 47 1HB ALA 9 1HB ALA 9 0.987 -1.904 1.730 48 2HB ALA 9 2HB ALA 9 -0.536 -2.410 2.463 49 3HB ALA 9 3HB ALA 9 0.547 -1.328 3.340 50 H TRP 10 H TRP 10 1.082 1.411 1.040 51 HA TRP 10 HA TRP 10 1.135 2.781 3.583 52 1HB TRP 10 2HB TRP 10 3.035 3.798 2.862 53 2HB TRP 10 1HB TRP 10 3.035 2.498 1.689 54 HD1 TRP 10 HD TRP 10 3.920 5.840 1.794 55 HE1 TRP 10 1HE TRP 10 3.624 7.112 -0.410 56 HE3 TRP 10 3HE TRP 10 0.692 2.649 -0.618 57 HZ2 TRP 10 2HZ TRP 10 2.242 6.832 -2.828 58 HZ3 TRP 10 3HZ TRP 10 -0.050 3.244 -2.878 59 HH2 TRP 10 HH TRP 10 0.704 5.294 -3.959 60 H ARG 11 H ARG 11 -0.700 2.764 0.796 61 HA ARG 11 HA ARG 11 -1.468 5.504 0.762 62 1HB ARG 11 2HB ARG 11 -1.508 3.974 -1.239 63 2HB ARG 11 1HB ARG 11 -2.907 3.188 -0.523 64 1HG ARG 11 2HG ARG 11 -3.610 4.772 -2.195 65 2HG ARG 11 1HG ARG 11 -4.120 5.323 -0.597 66 1HD ARG 11 2HD ARG 11 -2.304 6.898 -0.505 67 2HD ARG 11 1HD ARG 11 -1.627 6.268 -2.005 68 HE ARG 11 HE ARG 11 -3.694 8.202 -1.739 69 1HH1 ARG 11 1HH1 ARG 11 -2.584 5.580 -3.784 70 2HH1 ARG 11 2HH1 ARG 11 -3.381 6.174 -5.202 71 1HH2 ARG 11 1HH2 ARG 11 -4.750 8.993 -3.613 72 2HH2 ARG 11 2HH2 ARG 11 -4.617 8.120 -5.104 73 1HN SEC 12 H SEC 12 -2.784 2.471 1.935 74 HA SEC 12 HA SEC 12 -5.145 3.743 3.043 75 1HB SEC 12 1HB SEC 12 -5.464 1.572 2.043 76 2HB SEC 12 2HB SEC 12 -5.692 1.404 3.785 Start of MODEL 5 1 1H GLY 1 H GLY 1 -9.020 3.522 0.868 2 1HA GLY 1 2HA GLY 1 -10.089 1.620 -0.315 3 2HA GLY 1 1HA GLY 1 -9.678 2.918 -1.427 4 1HN SEC 2 H SEC 2 -6.846 2.480 -1.320 5 HA SEC 2 HA SEC 2 -6.690 0.110 -3.029 6 1HB SEC 2 1HB SEC 2 -4.546 2.211 -2.624 7 2HB SEC 2 2HB SEC 2 -5.839 2.406 -3.808 8 1HN SEC 3 H SEC 3 -7.060 -0.670 -0.624 9 HA SEC 3 HA SEC 3 -4.557 -0.865 0.834 10 1HB SEC 3 1HB SEC 3 -7.009 -2.211 1.770 11 2HB SEC 3 2HB SEC 3 -7.069 -0.451 1.660 12 H SER 4 H SER 4 -5.592 -2.494 -1.656 13 HA SER 4 HA SER 4 -4.930 -5.150 -0.588 14 1HB SER 4 2HB SER 4 -6.370 -4.492 -3.162 15 2HB SER 4 1HB SER 4 -6.164 -6.091 -2.446 16 HG SER 4 HG SER 4 -7.372 -5.307 -0.632 17 H ASP 5 H ASP 5 -2.839 -3.276 -1.277 18 HA ASP 5 HA ASP 5 -1.367 -4.989 -3.090 19 1HB ASP 5 2HB ASP 5 -2.219 -3.570 -4.773 20 2HB ASP 5 1HB ASP 5 -2.024 -2.132 -3.787 21 HA PRO 6 HA PRO 6 1.859 -4.267 -0.171 22 1HB PRO 6 2HB PRO 6 3.621 -4.338 -2.573 23 2HB PRO 6 1HB PRO 6 3.748 -5.235 -1.056 24 1HG PRO 6 2HG PRO 6 2.851 -6.432 -3.247 25 2HG PRO 6 1HG PRO 6 2.112 -6.765 -1.670 26 1HD PRO 6 2HD PRO 6 1.097 -5.097 -3.927 27 2HD PRO 6 1HD PRO 6 0.202 -6.125 -2.790 28 H ARG 7 H ARG 7 1.937 -2.335 -3.152 29 HA ARG 7 HA ARG 7 3.430 -0.238 -1.731 30 1HB ARG 7 2HB ARG 7 2.833 -0.695 -4.635 31 2HB ARG 7 1HB ARG 7 3.399 0.850 -4.021 32 1HG ARG 7 2HG ARG 7 5.494 0.118 -3.700 33 2HG ARG 7 1HG ARG 7 4.970 -1.492 -3.205 34 1HD ARG 7 2HD ARG 7 4.755 -0.590 -6.067 35 2HD ARG 7 1HD ARG 7 6.257 -1.260 -5.431 36 HE ARG 7 HE ARG 7 5.309 -3.345 -5.450 37 1HH1 ARG 7 1HH1 ARG 7 2.799 -1.002 -6.110 38 2HH1 ARG 7 2HH1 ARG 7 1.531 -2.184 -6.183 39 1HH2 ARG 7 1HH2 ARG 7 3.626 -4.915 -5.646 40 2HH2 ARG 7 2HH2 ARG 7 1.997 -4.382 -5.949 41 1HN SEC 8 H SEC 8 0.700 -0.970 -1.347 42 HA SEC 8 HA SEC 8 -0.513 1.658 -1.690 43 1HB SEC 8 1HB SEC 8 -2.652 -0.053 -1.951 44 2HB SEC 8 2HB SEC 8 -1.380 -0.873 -2.854 45 H ALA 9 H ALA 9 0.165 -1.087 0.184 46 HA ALA 9 HA ALA 9 -1.876 -0.935 2.121 47 1HB ALA 9 1HB ALA 9 -0.751 -2.885 2.416 48 2HB ALA 9 2HB ALA 9 0.164 -1.906 3.564 49 3HB ALA 9 3HB ALA 9 0.799 -2.187 1.942 50 H TRP 10 H TRP 10 1.163 0.686 1.636 51 HA TRP 10 HA TRP 10 0.684 2.320 4.001 52 1HB TRP 10 2HB TRP 10 2.983 3.332 3.268 53 2HB TRP 10 1HB TRP 10 2.902 1.825 4.154 54 HD1 TRP 10 HD TRP 10 4.362 -0.010 3.265 55 HE1 TRP 10 1HE TRP 10 5.611 -0.502 1.079 56 HE3 TRP 10 3HE TRP 10 2.527 3.801 0.357 57 HZ2 TRP 10 2HZ TRP 10 5.824 0.575 -1.502 58 HZ3 TRP 10 3HZ TRP 10 3.329 4.000 -1.947 59 HH2 TRP 10 HH TRP 10 4.938 2.416 -2.863 60 H ARG 11 H ARG 11 -1.061 2.498 1.931 61 HA ARG 11 HA ARG 11 -0.709 5.285 1.116 62 1HB ARG 11 2HB ARG 11 -0.171 3.744 -0.801 63 2HB ARG 11 1HB ARG 11 -1.819 3.144 -0.711 64 1HG ARG 11 2HG ARG 11 -2.631 5.442 -1.153 65 2HG ARG 11 1HG ARG 11 -0.954 5.950 -1.368 66 1HD ARG 11 2HD ARG 11 -2.471 3.926 -3.010 67 2HD ARG 11 1HD ARG 11 -1.923 5.519 -3.528 68 HE ARG 11 HE ARG 11 -0.403 3.107 -3.485 69 1HH1 ARG 11 1HH1 ARG 11 -0.128 6.588 -3.165 70 2HH1 ARG 11 2HH1 ARG 11 1.554 6.621 -3.573 71 1HH2 ARG 11 1HH2 ARG 11 1.804 3.139 -4.005 72 2HH2 ARG 11 2HH2 ARG 11 2.659 4.649 -4.060 73 1HN SEC 12 H SEC 12 -2.716 2.538 1.874 74 HA SEC 12 HA SEC 12 -5.207 4.004 1.804 75 1HB SEC 12 1HB SEC 12 -5.250 1.672 1.137 76 2HB SEC 12 2HB SEC 12 -6.136 1.823 2.657 Start of MODEL 6 1 1H GLY 1 H GLY 1 -8.920 3.605 0.903 2 1HA GLY 1 2HA GLY 1 -10.096 1.724 -0.229 3 2HA GLY 1 1HA GLY 1 -9.669 3.004 -1.355 4 1HN SEC 2 H SEC 2 -6.858 2.468 -1.336 5 HA SEC 2 HA SEC 2 -6.835 0.078 -3.020 6 1HB SEC 2 1HB SEC 2 -4.619 2.126 -2.727 7 2HB SEC 2 2HB SEC 2 -5.939 2.324 -3.881 8 1HN SEC 3 H SEC 3 -7.141 -0.716 -0.640 9 HA SEC 3 HA SEC 3 -4.607 -0.906 0.773 10 1HB SEC 3 1HB SEC 3 -7.026 -2.270 1.752 11 2HB SEC 3 2HB SEC 3 -7.104 -0.510 1.650 12 H SER 4 H SER 4 -5.579 -2.518 -1.719 13 HA SER 4 HA SER 4 -4.979 -5.193 -0.660 14 1HB SER 4 2HB SER 4 -6.316 -4.500 -3.280 15 2HB SER 4 1HB SER 4 -6.169 -6.103 -2.556 16 HG SER 4 HG SER 4 -7.402 -5.234 -0.761 17 H ASP 5 H ASP 5 -2.858 -3.293 -1.315 18 HA ASP 5 HA ASP 5 -1.308 -5.032 -3.032 19 1HB ASP 5 2HB ASP 5 -2.134 -3.661 -4.777 20 2HB ASP 5 1HB ASP 5 -1.934 -2.196 -3.834 21 HA PRO 6 HA PRO 6 1.819 -4.254 -0.061 22 1HB PRO 6 2HB PRO 6 3.636 -4.182 -2.423 23 2HB PRO 6 1HB PRO 6 3.783 -5.094 -0.916 24 1HG PRO 6 2HG PRO 6 2.982 -6.303 -3.136 25 2HG PRO 6 1HG PRO 6 2.227 -6.688 -1.577 26 1HD PRO 6 2HD PRO 6 1.180 -5.051 -3.838 27 2HD PRO 6 1HD PRO 6 0.311 -6.118 -2.718 28 H ARG 7 H ARG 7 2.022 -2.190 -2.978 29 HA ARG 7 HA ARG 7 3.492 -0.187 -1.413 30 1HB ARG 7 2HB ARG 7 3.976 0.926 -3.353 31 2HB ARG 7 1HB ARG 7 3.973 -0.747 -3.890 32 1HG ARG 7 2HG ARG 7 1.391 0.002 -4.346 33 2HG ARG 7 1HG ARG 7 2.260 1.508 -4.645 34 1HD ARG 7 2HD ARG 7 2.372 0.580 -6.730 35 2HD ARG 7 1HD ARG 7 3.841 -0.100 -6.028 36 HE ARG 7 HE ARG 7 1.611 -1.790 -5.532 37 1HH1 ARG 7 1HH1 ARG 7 3.831 -0.849 -8.084 38 2HH1 ARG 7 2HH1 ARG 7 3.630 -2.320 -8.972 39 1HH2 ARG 7 1HH2 ARG 7 1.325 -3.705 -6.684 40 2HH2 ARG 7 2HH2 ARG 7 2.195 -3.961 -8.175 41 1HN SEC 8 H SEC 8 0.454 -1.005 -2.031 42 HA SEC 8 HA SEC 8 -0.677 1.665 -1.848 43 1HB SEC 8 1HB SEC 8 -2.803 -0.018 -2.003 44 2HB SEC 8 2HB SEC 8 -1.566 -0.951 -2.833 45 H ALA 9 H ALA 9 0.040 -1.107 -0.005 46 HA ALA 9 HA ALA 9 -1.884 -0.890 2.041 47 1HB ALA 9 1HB ALA 9 -0.812 -2.892 2.236 48 2HB ALA 9 2HB ALA 9 0.168 -1.963 3.371 49 3HB ALA 9 3HB ALA 9 0.742 -2.230 1.725 50 H TRP 10 H TRP 10 1.134 0.672 1.343 51 HA TRP 10 HA TRP 10 0.915 2.215 3.797 52 1HB TRP 10 2HB TRP 10 3.156 3.167 3.102 53 2HB TRP 10 1HB TRP 10 3.108 1.492 3.593 54 HD1 TRP 10 HD TRP 10 4.320 -0.152 2.122 55 HE1 TRP 10 1HE TRP 10 5.457 -0.074 -0.177 56 HE3 TRP 10 3HE TRP 10 2.719 4.447 0.545 57 HZ2 TRP 10 2HZ TRP 10 5.669 1.692 -2.356 58 HZ3 TRP 10 3HZ TRP 10 3.449 5.260 -1.650 59 HH2 TRP 10 HH TRP 10 4.892 3.906 -3.076 60 H ARG 11 H ARG 11 -0.943 2.423 1.680 61 HA ARG 11 HA ARG 11 -0.681 5.288 1.123 62 1HB ARG 11 2HB ARG 11 -0.346 3.636 -0.903 63 2HB ARG 11 1HB ARG 11 -2.100 3.528 -0.841 64 1HG ARG 11 2HG ARG 11 -1.670 5.200 -2.409 65 2HG ARG 11 1HG ARG 11 -2.093 6.078 -0.938 66 1HD ARG 11 2HD ARG 11 0.681 5.582 -2.024 67 2HD ARG 11 1HD ARG 11 -0.175 7.121 -1.980 68 HE ARG 11 HE ARG 11 1.298 5.895 0.147 69 1HH1 ARG 11 1HH1 ARG 11 -1.324 8.108 -0.562 70 2HH1 ARG 11 2HH1 ARG 11 -1.309 8.833 1.009 71 1HH2 ARG 11 1HH2 ARG 11 1.316 6.829 2.217 72 2HH2 ARG 11 2HH2 ARG 11 0.207 8.107 2.597 73 1HN SEC 12 H SEC 12 -2.670 2.498 1.797 74 HA SEC 12 HA SEC 12 -5.132 4.006 1.985 75 1HB SEC 12 1HB SEC 12 -5.256 1.718 1.168 76 2HB SEC 12 2HB SEC 12 -6.066 1.798 2.735 Start of MODEL 7 1 1H GLY 1 H GLY 1 -9.637 4.033 -1.244 2 1HA GLY 1 2HA GLY 1 -9.193 1.860 0.602 3 2HA GLY 1 1HA GLY 1 -10.394 1.918 -0.681 4 1HN SEC 2 H SEC 2 -6.959 2.453 -1.107 5 HA SEC 2 HA SEC 2 -6.853 0.145 -2.900 6 1HB SEC 2 1HB SEC 2 -4.748 2.299 -2.538 7 2HB SEC 2 2HB SEC 2 -6.074 2.444 -3.693 8 1HN SEC 3 H SEC 3 -7.082 -0.747 -0.535 9 HA SEC 3 HA SEC 3 -4.503 -0.921 0.798 10 1HB SEC 3 1HB SEC 3 -6.873 -2.355 1.802 11 2HB SEC 3 2HB SEC 3 -6.988 -0.595 1.749 12 H SER 4 H SER 4 -5.564 -2.461 -1.715 13 HA SER 4 HA SER 4 -5.012 -5.183 -0.790 14 1HB SER 4 2HB SER 4 -6.171 -4.335 -3.443 15 2HB SER 4 1HB SER 4 -6.158 -5.957 -2.751 16 HG SER 4 HG SER 4 -7.658 -5.364 -1.287 17 H ASP 5 H ASP 5 -2.812 -3.225 -1.392 18 HA ASP 5 HA ASP 5 -1.235 -5.051 -2.995 19 1HB ASP 5 2HB ASP 5 -2.144 -3.610 -4.754 20 2HB ASP 5 1HB ASP 5 -1.613 -2.179 -3.893 21 HA PRO 6 HA PRO 6 1.776 -4.040 0.070 22 1HB PRO 6 2HB PRO 6 4.042 -4.130 -1.569 23 2HB PRO 6 1HB PRO 6 3.333 -5.491 -0.697 24 1HG PRO 6 2HG PRO 6 3.010 -4.690 -3.550 25 2HG PRO 6 1HG PRO 6 3.096 -6.312 -2.839 26 1HD PRO 6 2HD PRO 6 0.767 -5.276 -3.646 27 2HD PRO 6 1HD PRO 6 0.867 -6.274 -2.179 28 H ARG 7 H ARG 7 1.966 -2.353 -3.032 29 HA ARG 7 HA ARG 7 3.432 -0.108 -1.871 30 1HB ARG 7 2HB ARG 7 2.358 -0.662 -4.626 31 2HB ARG 7 1HB ARG 7 3.161 0.832 -4.170 32 1HG ARG 7 2HG ARG 7 5.198 -0.113 -4.089 33 2HG ARG 7 1HG ARG 7 4.572 -1.676 -3.556 34 1HD ARG 7 2HD ARG 7 4.529 -0.532 -6.345 35 2HD ARG 7 1HD ARG 7 5.406 -1.956 -5.783 36 HE ARG 7 HE ARG 7 2.617 -2.287 -5.338 37 1HH1 ARG 7 1HH1 ARG 7 4.999 -2.281 -7.906 38 2HH1 ARG 7 2HH1 ARG 7 4.071 -3.307 -8.946 39 1HH2 ARG 7 1HH2 ARG 7 1.374 -3.638 -6.698 40 2HH2 ARG 7 2HH2 ARG 7 2.006 -4.079 -8.259 41 1HN SEC 8 H SEC 8 0.518 -1.025 -1.530 42 HA SEC 8 HA SEC 8 -0.624 1.660 -1.651 43 1HB SEC 8 1HB SEC 8 -2.784 -0.031 -1.903 44 2HB SEC 8 2HB SEC 8 -1.546 -0.820 -2.873 45 H ALA 9 H ALA 9 0.161 -1.078 0.134 46 HA ALA 9 HA ALA 9 -1.815 -0.971 2.162 47 1HB ALA 9 1HB ALA 9 0.239 -2.007 3.499 48 2HB ALA 9 2HB ALA 9 0.864 -2.220 1.862 49 3HB ALA 9 3HB ALA 9 -0.677 -2.946 2.321 50 H TRP 10 H TRP 10 1.210 0.601 1.512 51 HA TRP 10 HA TRP 10 0.876 2.255 3.887 52 1HB TRP 10 2HB TRP 10 3.146 3.231 3.069 53 2HB TRP 10 1HB TRP 10 3.090 1.716 3.939 54 HD1 TRP 10 HD TRP 10 4.472 -0.138 2.970 55 HE1 TRP 10 1HE TRP 10 5.672 -0.594 0.749 56 HE3 TRP 10 3HE TRP 10 2.650 3.778 0.197 57 HZ2 TRP 10 2HZ TRP 10 5.859 0.548 -1.809 58 HZ3 TRP 10 3HZ TRP 10 3.417 4.026 -2.115 59 HH2 TRP 10 HH TRP 10 4.982 2.438 -3.104 60 H ARG 11 H ARG 11 -0.956 2.412 1.897 61 HA ARG 11 HA ARG 11 -0.635 5.189 1.047 62 1HB ARG 11 2HB ARG 11 -0.185 3.628 -0.885 63 2HB ARG 11 1HB ARG 11 -1.842 3.060 -0.731 64 1HG ARG 11 2HG ARG 11 -1.662 4.699 -2.501 65 2HG ARG 11 1HG ARG 11 -2.656 5.325 -1.182 66 1HD ARG 11 2HD ARG 11 -1.101 7.020 -2.023 67 2HD ARG 11 1HD ARG 11 -0.764 6.605 -0.343 68 HE ARG 11 HE ARG 11 0.818 5.010 -2.045 69 1HH1 ARG 11 1HH1 ARG 11 0.529 8.301 -0.902 70 2HH1 ARG 11 2HH1 ARG 11 2.210 8.662 -1.103 71 1HH2 ARG 11 1HH2 ARG 11 3.044 5.474 -2.317 72 2HH2 ARG 11 2HH2 ARG 11 3.648 7.045 -1.912 73 1HN SEC 12 H SEC 12 -2.637 2.438 1.858 74 HA SEC 12 HA SEC 12 -5.116 3.921 1.920 75 1HB SEC 12 1HB SEC 12 -5.222 1.602 1.233 76 2HB SEC 12 2HB SEC 12 -6.013 1.729 2.806 Start of MODEL 8 1 1H GLY 1 H GLY 1 -8.984 3.342 1.202 2 1HA GLY 1 2HA GLY 1 -10.106 1.689 -0.122 3 2HA GLY 1 1HA GLY 1 -9.713 2.998 -1.227 4 1HN SEC 2 H SEC 2 -6.899 2.516 -1.258 5 HA SEC 2 HA SEC 2 -6.848 0.157 -2.985 6 1HB SEC 2 1HB SEC 2 -4.709 2.287 -2.681 7 2HB SEC 2 2HB SEC 2 -6.016 2.395 -3.862 8 1HN SEC 3 H SEC 3 -7.099 -0.700 -0.635 9 HA SEC 3 HA SEC 3 -4.544 -0.874 0.744 10 1HB SEC 3 1HB SEC 3 -6.941 -2.282 1.721 11 2HB SEC 3 2HB SEC 3 -7.040 -0.523 1.653 12 H SER 4 H SER 4 -5.553 -2.437 -1.771 13 HA SER 4 HA SER 4 -5.023 -5.148 -0.795 14 1HB SER 4 2HB SER 4 -6.172 -4.326 -3.462 15 2HB SER 4 1HB SER 4 -6.135 -5.951 -2.775 16 HG SER 4 HG SER 4 -7.556 -5.280 -1.180 17 H ASP 5 H ASP 5 -2.803 -3.221 -1.389 18 HA ASP 5 HA ASP 5 -1.232 -5.072 -2.973 19 1HB ASP 5 2HB ASP 5 -2.070 -3.612 -4.750 20 2HB ASP 5 1HB ASP 5 -1.537 -2.191 -3.870 21 HA PRO 6 HA PRO 6 1.800 -4.073 0.087 22 1HB PRO 6 2HB PRO 6 3.749 -4.226 -2.162 23 2HB PRO 6 1HB PRO 6 3.772 -5.044 -0.595 24 1HG PRO 6 2HG PRO 6 3.100 -6.370 -2.797 25 2HG PRO 6 1HG PRO 6 2.247 -6.660 -1.268 26 1HD PRO 6 2HD PRO 6 1.364 -5.126 -3.672 27 2HD PRO 6 1HD PRO 6 0.415 -6.145 -2.570 28 H ARG 7 H ARG 7 1.947 -2.372 -3.015 29 HA ARG 7 HA ARG 7 3.412 -0.129 -1.836 30 1HB ARG 7 2HB ARG 7 2.418 -0.690 -4.618 31 2HB ARG 7 1HB ARG 7 3.188 0.814 -4.138 32 1HG ARG 7 2HG ARG 7 5.232 -0.088 -4.068 33 2HG ARG 7 1HG ARG 7 4.643 -1.636 -3.455 34 1HD ARG 7 2HD ARG 7 4.572 -0.638 -6.300 35 2HD ARG 7 1HD ARG 7 5.480 -2.011 -5.667 36 HE ARG 7 HE ARG 7 2.680 -2.343 -5.220 37 1HH1 ARG 7 1HH1 ARG 7 5.112 -2.524 -7.735 38 2HH1 ARG 7 2HH1 ARG 7 4.235 -3.677 -8.679 39 1HH2 ARG 7 1HH2 ARG 7 1.515 -3.873 -6.443 40 2HH2 ARG 7 2HH2 ARG 7 2.183 -4.444 -7.946 41 1HN SEC 8 H SEC 8 0.541 -1.021 -1.459 42 HA SEC 8 HA SEC 8 -0.627 1.646 -1.674 43 1HB SEC 8 1HB SEC 8 -2.779 -0.039 -1.916 44 2HB SEC 8 2HB SEC 8 -1.534 -0.876 -2.832 45 H ALA 9 H ALA 9 0.109 -1.094 0.157 46 HA ALA 9 HA ALA 9 -1.884 -0.944 2.156 47 1HB ALA 9 1HB ALA 9 0.124 -1.984 3.542 48 2HB ALA 9 2HB ALA 9 0.800 -2.199 1.928 49 3HB ALA 9 3HB ALA 9 -0.755 -2.924 2.336 50 H TRP 10 H TRP 10 1.169 0.619 1.566 51 HA TRP 10 HA TRP 10 0.785 2.262 3.942 52 1HB TRP 10 2HB TRP 10 3.068 3.250 3.142 53 2HB TRP 10 1HB TRP 10 2.997 1.748 4.034 54 HD1 TRP 10 HD TRP 10 4.395 -0.120 3.115 55 HE1 TRP 10 1HE TRP 10 5.620 -0.613 0.916 56 HE3 TRP 10 3HE TRP 10 2.605 3.746 0.251 57 HZ2 TRP 10 2HZ TRP 10 5.834 0.481 -1.659 58 HZ3 TRP 10 3HZ TRP 10 3.397 3.953 -2.055 59 HH2 TRP 10 HH TRP 10 4.972 2.349 -2.998 60 H ARG 11 H ARG 11 -0.963 2.393 1.788 61 HA ARG 11 HA ARG 11 -0.638 5.203 1.044 62 1HB ARG 11 2HB ARG 11 -0.083 3.853 -0.934 63 2HB ARG 11 1HB ARG 11 -1.623 3.016 -0.803 64 1HG ARG 11 2HG ARG 11 -1.692 4.711 -2.539 65 2HG ARG 11 1HG ARG 11 -2.805 5.108 -1.227 66 1HD ARG 11 2HD ARG 11 -1.053 6.611 -0.287 67 2HD ARG 11 1HD ARG 11 -0.076 6.295 -1.720 68 HE ARG 11 HE ARG 11 -1.358 7.783 -2.865 69 1HH1 ARG 11 1HH1 ARG 11 -3.140 6.809 0.002 70 2HH1 ARG 11 2HH1 ARG 11 -4.447 7.911 -0.290 71 1HH2 ARG 11 1HH2 ARG 11 -3.090 9.232 -3.245 72 2HH2 ARG 11 2HH2 ARG 11 -4.421 9.286 -2.137 73 1HN SEC 12 H SEC 12 -2.670 2.466 1.799 74 HA SEC 12 HA SEC 12 -5.152 3.941 1.701 75 1HB SEC 12 1HB SEC 12 -5.229 1.604 1.087 76 2HB SEC 12 2HB SEC 12 -6.082 1.774 2.624 Start of MODEL 9 1 1H GLY 1 H GLY 1 -8.614 3.539 1.455 2 1HA GLY 1 2HA GLY 1 -9.850 1.482 0.552 3 2HA GLY 1 1HA GLY 1 -9.691 2.829 -0.568 4 1HN SEC 2 H SEC 2 -6.869 2.519 -0.956 5 HA SEC 2 HA SEC 2 -6.905 0.207 -2.760 6 1HB SEC 2 1HB SEC 2 -4.962 2.539 -2.614 7 2HB SEC 2 2HB SEC 2 -6.319 2.428 -3.733 8 1HN SEC 3 H SEC 3 -6.807 -0.595 -0.284 9 HA SEC 3 HA SEC 3 -4.050 -0.707 0.623 10 1HB SEC 3 1HB SEC 3 -6.191 -2.137 2.062 11 2HB SEC 3 2HB SEC 3 -6.367 -0.384 1.944 12 H SER 4 H SER 4 -5.635 -2.387 -1.556 13 HA SER 4 HA SER 4 -4.923 -5.073 -0.710 14 1HB SER 4 2HB SER 4 -6.190 -4.217 -3.313 15 2HB SER 4 1HB SER 4 -6.190 -5.830 -2.599 16 HG SER 4 HG SER 4 -7.922 -5.260 -1.575 17 H ASP 5 H ASP 5 -2.720 -3.213 -1.327 18 HA ASP 5 HA ASP 5 -1.263 -4.966 -3.114 19 1HB ASP 5 2HB ASP 5 -2.037 -3.490 -4.805 20 2HB ASP 5 1HB ASP 5 -1.787 -2.074 -3.796 21 HA PRO 6 HA PRO 6 1.910 -4.292 -0.118 22 1HB PRO 6 2HB PRO 6 3.734 -4.322 -2.476 23 2HB PRO 6 1HB PRO 6 3.830 -5.235 -0.965 24 1HG PRO 6 2HG PRO 6 2.995 -6.413 -3.194 25 2HG PRO 6 1HG PRO 6 2.226 -6.774 -1.637 26 1HD PRO 6 2HD PRO 6 1.238 -5.096 -3.897 27 2HD PRO 6 1HD PRO 6 0.331 -6.135 -2.778 28 H ARG 7 H ARG 7 1.937 -2.260 -3.033 29 HA ARG 7 HA ARG 7 3.390 -0.191 -1.505 30 1HB ARG 7 2HB ARG 7 2.927 -0.467 -4.465 31 2HB ARG 7 1HB ARG 7 3.710 0.896 -3.681 32 1HG ARG 7 2HG ARG 7 5.578 -0.313 -3.124 33 2HG ARG 7 1HG ARG 7 4.733 -1.859 -3.228 34 1HD ARG 7 2HD ARG 7 5.880 -0.170 -5.408 35 2HD ARG 7 1HD ARG 7 5.996 -1.911 -5.163 36 HE ARG 7 HE ARG 7 4.123 -0.586 -6.775 37 1HH1 ARG 7 1HH1 ARG 7 4.238 -3.259 -4.500 38 2HH1 ARG 7 2HH1 ARG 7 2.777 -3.981 -5.097 39 1HH2 ARG 7 1HH2 ARG 7 2.219 -1.587 -7.565 40 2HH2 ARG 7 2HH2 ARG 7 1.629 -3.030 -6.800 41 1HN SEC 8 H SEC 8 0.609 -0.926 -1.384 42 HA SEC 8 HA SEC 8 -0.512 1.731 -1.767 43 1HB SEC 8 1HB SEC 8 -2.523 -0.274 -2.294 44 2HB SEC 8 2HB SEC 8 -1.150 -0.481 -3.384 45 H ALA 9 H ALA 9 -0.162 -1.181 -0.013 46 HA ALA 9 HA ALA 9 -2.323 -1.020 1.771 47 1HB ALA 9 1HB ALA 9 -1.398 -2.927 2.467 48 2HB ALA 9 2HB ALA 9 -0.053 -2.015 3.153 49 3HB ALA 9 3HB ALA 9 0.033 -2.595 1.490 50 H TRP 10 H TRP 10 0.938 0.303 1.846 51 HA TRP 10 HA TRP 10 0.220 1.889 4.173 52 1HB TRP 10 2HB TRP 10 2.659 2.744 3.860 53 2HB TRP 10 1HB TRP 10 2.352 1.177 4.575 54 HD1 TRP 10 HD TRP 10 3.933 -0.589 3.796 55 HE1 TRP 10 1HE TRP 10 5.398 -1.023 1.736 56 HE3 TRP 10 3HE TRP 10 2.478 3.366 0.856 57 HZ2 TRP 10 2HZ TRP 10 5.900 0.141 -0.766 58 HZ3 TRP 10 3HZ TRP 10 3.522 3.630 -1.341 59 HH2 TRP 10 HH TRP 10 5.193 2.046 -2.143 60 H ARG 11 H ARG 11 -1.141 2.319 1.776 61 HA ARG 11 HA ARG 11 -0.631 5.157 1.457 62 1HB ARG 11 2HB ARG 11 0.599 3.754 -0.351 63 2HB ARG 11 1HB ARG 11 -1.005 3.499 -1.022 64 1HG ARG 11 2HG ARG 11 -1.277 5.963 -1.160 65 2HG ARG 11 1HG ARG 11 0.398 6.133 -0.630 66 1HD ARG 11 2HD ARG 11 0.395 6.288 -3.002 67 2HD ARG 11 1HD ARG 11 1.060 4.710 -2.587 68 HE ARG 11 HE ARG 11 -0.675 3.738 -3.695 69 1HH1 ARG 11 1HH1 ARG 11 -1.573 7.042 -2.950 70 2HH1 ARG 11 2HH1 ARG 11 -3.082 6.963 -3.794 71 1HH2 ARG 11 1HH2 ARG 11 -2.668 3.625 -4.812 72 2HH2 ARG 11 2HH2 ARG 11 -3.703 5.015 -4.863 73 1HN SEC 12 H SEC 12 -2.698 2.818 2.206 74 HA SEC 12 HA SEC 12 -5.004 3.654 0.681 75 1HB SEC 12 1HB SEC 12 -4.652 1.261 1.237 76 2HB SEC 12 2HB SEC 12 -6.182 1.874 1.863 Start of MODEL 10 1 1H GLY 1 H GLY 1 -10.499 0.871 0.124 2 1HA GLY 1 2HA GLY 1 -9.921 2.857 -1.333 3 2HA GLY 1 1HA GLY 1 -8.597 3.102 -0.203 4 1HN SEC 2 H SEC 2 -6.792 2.619 -1.280 5 HA SEC 2 HA SEC 2 -6.728 0.257 -3.004 6 1HB SEC 2 1HB SEC 2 -4.542 2.330 -2.648 7 2HB SEC 2 2HB SEC 2 -5.841 2.516 -3.827 8 1HN SEC 3 H SEC 3 -7.051 -0.576 -0.640 9 HA SEC 3 HA SEC 3 -4.523 -0.784 0.783 10 1HB SEC 3 1HB SEC 3 -6.963 -2.128 1.746 11 2HB SEC 3 2HB SEC 3 -7.023 -0.368 1.652 12 H SER 4 H SER 4 -5.570 -2.365 -1.719 13 HA SER 4 HA SER 4 -5.044 -5.063 -0.703 14 1HB SER 4 2HB SER 4 -6.257 -4.289 -3.356 15 2HB SER 4 1HB SER 4 -6.217 -5.898 -2.631 16 HG SER 4 HG SER 4 -7.571 -5.148 -0.992 17 H ASP 5 H ASP 5 -2.825 -3.190 -1.340 18 HA ASP 5 HA ASP 5 -1.313 -5.044 -2.977 19 1HB ASP 5 2HB ASP 5 -2.161 -3.571 -4.726 20 2HB ASP 5 1HB ASP 5 -1.622 -2.155 -3.841 21 HA PRO 6 HA PRO 6 1.788 -4.114 0.032 22 1HB PRO 6 2HB PRO 6 4.020 -4.291 -1.633 23 2HB PRO 6 1HB PRO 6 3.266 -5.631 -0.767 24 1HG PRO 6 2HG PRO 6 2.935 -4.780 -3.607 25 2HG PRO 6 1HG PRO 6 2.989 -6.416 -2.922 26 1HD PRO 6 2HD PRO 6 0.675 -5.311 -3.671 27 2HD PRO 6 1HD PRO 6 0.775 -6.326 -2.215 28 H ARG 7 H ARG 7 1.872 -2.406 -3.060 29 HA ARG 7 HA ARG 7 3.417 -0.201 -1.890 30 1HB ARG 7 2HB ARG 7 2.440 -0.741 -4.683 31 2HB ARG 7 1HB ARG 7 3.257 0.732 -4.187 32 1HG ARG 7 2HG ARG 7 5.266 -0.238 -4.122 33 2HG ARG 7 1HG ARG 7 4.626 -1.756 -3.487 34 1HD ARG 7 2HD ARG 7 4.598 -0.799 -6.346 35 2HD ARG 7 1HD ARG 7 5.451 -2.196 -5.690 36 HE ARG 7 HE ARG 7 2.642 -2.419 -5.248 37 1HH1 ARG 7 1HH1 ARG 7 5.067 -2.713 -7.759 38 2HH1 ARG 7 2HH1 ARG 7 4.149 -3.843 -8.692 39 1HH2 ARG 7 1HH2 ARG 7 1.423 -3.919 -6.456 40 2HH2 ARG 7 2HH2 ARG 7 2.070 -4.529 -7.953 41 1HN SEC 8 H SEC 8 0.634 -0.995 -1.365 42 HA SEC 8 HA SEC 8 -0.548 1.651 -1.642 43 1HB SEC 8 1HB SEC 8 -2.724 0.026 -1.901 44 2HB SEC 8 2HB SEC 8 -1.495 -0.878 -2.775 45 H ALA 9 H ALA 9 0.156 -1.098 0.204 46 HA ALA 9 HA ALA 9 -1.853 -0.914 2.185 47 1HB ALA 9 1HB ALA 9 0.149 -1.962 3.591 48 2HB ALA 9 2HB ALA 9 0.805 -2.216 1.973 49 3HB ALA 9 3HB ALA 9 -0.760 -2.903 2.406 50 H TRP 10 H TRP 10 1.240 0.590 1.641 51 HA TRP 10 HA TRP 10 0.837 2.284 3.981 52 1HB TRP 10 2HB TRP 10 3.166 3.200 3.208 53 2HB TRP 10 1HB TRP 10 3.041 1.723 4.137 54 HD1 TRP 10 HD TRP 10 4.459 -0.164 3.306 55 HE1 TRP 10 1HE TRP 10 5.682 -0.764 1.131 56 HE3 TRP 10 3HE TRP 10 2.687 3.577 0.264 57 HZ2 TRP 10 2HZ TRP 10 5.900 0.210 -1.491 58 HZ3 TRP 10 3HZ TRP 10 3.479 3.671 -2.049 59 HH2 TRP 10 HH TRP 10 5.047 2.017 -2.915 60 H ARG 11 H ARG 11 -0.910 2.469 1.921 61 HA ARG 11 HA ARG 11 -0.484 5.220 1.035 62 1HB ARG 11 2HB ARG 11 0.090 3.661 -0.828 63 2HB ARG 11 1HB ARG 11 -1.542 3.017 -0.748 64 1HG ARG 11 2HG ARG 11 -2.429 5.226 -1.339 65 2HG ARG 11 1HG ARG 11 -0.777 5.841 -1.458 66 1HD ARG 11 2HD ARG 11 -0.301 4.174 -3.198 67 2HD ARG 11 1HD ARG 11 -1.967 3.608 -3.098 68 HE ARG 11 HE ARG 11 -1.918 6.380 -3.627 69 1HH1 ARG 11 1HH1 ARG 11 -1.327 3.283 -5.138 70 2HH1 ARG 11 2HH1 ARG 11 -1.639 3.854 -6.744 71 1HH2 ARG 11 1HH2 ARG 11 -2.339 7.153 -5.752 72 2HH2 ARG 11 2HH2 ARG 11 -2.218 6.064 -7.094 73 1HN SEC 12 H SEC 12 -2.574 2.538 1.833 74 HA SEC 12 HA SEC 12 -5.030 4.051 1.659 75 1HB SEC 12 1HB SEC 12 -5.140 1.709 1.071 76 2HB SEC 12 2HB SEC 12 -6.017 1.916 2.588 Start of MODEL 11 1 1H GLY 1 H GLY 1 -10.501 0.866 0.101 2 1HA GLY 1 2HA GLY 1 -9.910 2.847 -1.354 3 2HA GLY 1 1HA GLY 1 -8.591 3.092 -0.217 4 1HN SEC 2 H SEC 2 -6.782 2.609 -1.289 5 HA SEC 2 HA SEC 2 -6.712 0.246 -3.012 6 1HB SEC 2 1HB SEC 2 -4.526 2.316 -2.646 7 2HB SEC 2 2HB SEC 2 -5.824 2.510 -3.825 8 1HN SEC 3 H SEC 3 -7.047 -0.571 -0.634 9 HA SEC 3 HA SEC 3 -4.523 -0.787 0.792 10 1HB SEC 3 1HB SEC 3 -6.973 -2.116 1.755 11 2HB SEC 3 2HB SEC 3 -7.022 -0.354 1.654 12 H SER 4 H SER 4 -5.575 -2.381 -1.703 13 HA SER 4 HA SER 4 -5.037 -5.071 -0.665 14 1HB SER 4 2HB SER 4 -6.295 -4.323 -3.306 15 2HB SER 4 1HB SER 4 -6.231 -5.927 -2.575 16 HG SER 4 HG SER 4 -7.542 -5.146 -0.891 17 H ASP 5 H ASP 5 -2.844 -3.193 -1.341 18 HA ASP 5 HA ASP 5 -1.338 -5.043 -2.981 19 1HB ASP 5 2HB ASP 5 -2.239 -3.616 -4.734 20 2HB ASP 5 1HB ASP 5 -1.730 -2.172 -3.879 21 HA PRO 6 HA PRO 6 1.779 -4.125 0.007 22 1HB PRO 6 2HB PRO 6 3.665 -4.330 -2.289 23 2HB PRO 6 1HB PRO 6 3.702 -5.151 -0.725 24 1HG PRO 6 2HG PRO 6 2.931 -6.452 -2.908 25 2HG PRO 6 1HG PRO 6 2.106 -6.714 -1.360 26 1HD PRO 6 2HD PRO 6 1.221 -5.145 -3.743 27 2HD PRO 6 1HD PRO 6 0.264 -6.137 -2.625 28 H ARG 7 H ARG 7 1.890 -2.383 -3.071 29 HA ARG 7 HA ARG 7 3.438 -0.197 -1.861 30 1HB ARG 7 2HB ARG 7 2.500 -0.685 -4.683 31 2HB ARG 7 1HB ARG 7 3.271 0.796 -4.152 32 1HG ARG 7 2HG ARG 7 4.967 -0.466 -5.153 33 2HG ARG 7 1HG ARG 7 5.209 -0.639 -3.410 34 1HD ARG 7 2HD ARG 7 5.379 -2.765 -4.822 35 2HD ARG 7 1HD ARG 7 4.345 -2.827 -3.396 36 HE ARG 7 HE ARG 7 2.486 -3.040 -4.753 37 1HH1 ARG 7 1HH1 ARG 7 5.283 -2.315 -6.744 38 2HH1 ARG 7 2HH1 ARG 7 4.443 -2.584 -8.232 39 1HH2 ARG 7 1HH2 ARG 7 1.375 -3.394 -6.680 40 2HH2 ARG 7 2HH2 ARG 7 2.207 -3.201 -8.199 41 1HN SEC 8 H SEC 8 0.646 -0.994 -1.379 42 HA SEC 8 HA SEC 8 -0.536 1.652 -1.650 43 1HB SEC 8 1HB SEC 8 -2.703 0.011 -1.918 44 2HB SEC 8 2HB SEC 8 -1.464 -0.879 -2.795 45 H ALA 9 H ALA 9 0.167 -1.096 0.200 46 HA ALA 9 HA ALA 9 -1.852 -0.918 2.171 47 1HB ALA 9 1HB ALA 9 0.810 -2.215 1.969 48 2HB ALA 9 2HB ALA 9 -0.757 -2.905 2.395 49 3HB ALA 9 3HB ALA 9 0.146 -1.965 3.584 50 H TRP 10 H TRP 10 1.241 0.594 1.644 51 HA TRP 10 HA TRP 10 0.827 2.277 3.989 52 1HB TRP 10 2HB TRP 10 3.157 3.199 3.228 53 2HB TRP 10 1HB TRP 10 3.029 1.718 4.150 54 HD1 TRP 10 HD TRP 10 4.430 -0.181 3.306 55 HE1 TRP 10 1HE TRP 10 5.662 -0.766 1.134 56 HE3 TRP 10 3HE TRP 10 2.714 3.613 0.301 57 HZ2 TRP 10 2HZ TRP 10 5.908 0.238 -1.475 58 HZ3 TRP 10 3HZ TRP 10 3.522 3.728 -2.007 59 HH2 TRP 10 HH TRP 10 5.080 2.070 -2.882 60 H ARG 11 H ARG 11 -0.907 2.462 1.909 61 HA ARG 11 HA ARG 11 -0.481 5.220 1.041 62 1HB ARG 11 2HB ARG 11 0.089 3.679 -0.831 63 2HB ARG 11 1HB ARG 11 -1.537 3.022 -0.748 64 1HG ARG 11 2HG ARG 11 -2.440 5.234 -1.319 65 2HG ARG 11 1HG ARG 11 -0.790 5.853 -1.452 66 1HD ARG 11 2HD ARG 11 -0.328 4.198 -3.206 67 2HD ARG 11 1HD ARG 11 -1.988 3.620 -3.087 68 HE ARG 11 HE ARG 11 -1.963 6.396 -3.603 69 1HH1 ARG 11 1HH1 ARG 11 -1.385 3.308 -5.137 70 2HH1 ARG 11 2HH1 ARG 11 -1.727 3.884 -6.735 71 1HH2 ARG 11 1HH2 ARG 11 -2.423 7.175 -5.718 72 2HH2 ARG 11 2HH2 ARG 11 -2.320 6.092 -7.067 73 1HN SEC 12 H SEC 12 -2.573 2.542 1.836 74 HA SEC 12 HA SEC 12 -5.027 4.060 1.666 75 1HB SEC 12 1HB SEC 12 -5.139 1.717 1.075 76 2HB SEC 12 2HB SEC 12 -6.017 1.925 2.593 Start of MODEL 12 1 1H GLY 1 H GLY 1 -9.019 3.007 1.414 2 1HA GLY 1 2HA GLY 1 -10.054 1.310 0.036 3 2HA GLY 1 1HA GLY 1 -9.805 2.726 -0.976 4 1HN SEC 2 H SEC 2 -6.944 2.446 -1.080 5 HA SEC 2 HA SEC 2 -6.790 0.300 -3.065 6 1HB SEC 2 1HB SEC 2 -4.781 2.499 -2.496 7 2HB SEC 2 2HB SEC 2 -6.098 2.658 -3.658 8 1HN SEC 3 H SEC 3 -6.967 -0.666 -0.616 9 HA SEC 3 HA SEC 3 -4.312 -1.067 0.502 10 1HB SEC 3 1HB SEC 3 -6.699 -2.441 1.574 11 2HB SEC 3 2HB SEC 3 -6.680 -0.680 1.682 12 H SER 4 H SER 4 -5.703 -2.346 -1.996 13 HA SER 4 HA SER 4 -5.446 -5.167 -1.401 14 1HB SER 4 2HB SER 4 -6.053 -3.875 -4.062 15 2HB SER 4 1HB SER 4 -6.381 -5.539 -3.578 16 HG SER 4 HG SER 4 -8.198 -4.863 -2.797 17 H ASP 5 H ASP 5 -3.061 -3.212 -1.626 18 HA ASP 5 HA ASP 5 -1.350 -5.093 -3.016 19 1HB ASP 5 2HB ASP 5 -2.041 -3.500 -4.807 20 2HB ASP 5 1HB ASP 5 -1.393 -2.178 -3.848 21 HA PRO 6 HA PRO 6 1.091 -4.110 0.531 22 1HB PRO 6 2HB PRO 6 3.403 -4.852 -1.173 23 2HB PRO 6 1HB PRO 6 2.909 -5.500 0.394 24 1HG PRO 6 2HG PRO 6 2.540 -6.902 -1.845 25 2HG PRO 6 1HG PRO 6 1.338 -6.924 -0.541 26 1HD PRO 6 2HD PRO 6 1.283 -5.458 -3.147 27 2HD PRO 6 1HD PRO 6 -0.039 -6.264 -2.277 28 H ARG 7 H ARG 7 2.000 -2.876 -2.621 29 HA ARG 7 HA ARG 7 3.775 -0.866 -1.567 30 1HB ARG 7 2HB ARG 7 2.533 -1.348 -4.263 31 2HB ARG 7 1HB ARG 7 3.497 0.087 -3.923 32 1HG ARG 7 2HG ARG 7 5.418 -1.094 -3.665 33 2HG ARG 7 1HG ARG 7 4.577 -2.602 -3.306 34 1HD ARG 7 2HD ARG 7 4.812 -1.230 -5.981 35 2HD ARG 7 1HD ARG 7 5.523 -2.774 -5.513 36 HE ARG 7 HE ARG 7 2.711 -2.894 -5.200 37 1HH1 ARG 7 1HH1 ARG 7 5.162 -2.801 -7.702 38 2HH1 ARG 7 2HH1 ARG 7 4.189 -3.629 -8.868 39 1HH2 ARG 7 1HH2 ARG 7 1.411 -3.981 -6.726 40 2HH2 ARG 7 2HH2 ARG 7 2.052 -4.304 -8.314 41 1HN SEC 8 H SEC 8 0.453 -1.181 -2.377 42 HA SEC 8 HA SEC 8 -0.065 1.668 -2.133 43 1HB SEC 8 1HB SEC 8 -2.410 -0.034 -2.282 44 2HB SEC 8 2HB SEC 8 -1.240 -0.427 -3.540 45 H ALA 9 H ALA 9 0.444 -0.789 -0.093 46 HA ALA 9 HA ALA 9 -1.645 -0.533 1.793 47 1HB ALA 9 1HB ALA 9 0.462 -1.384 3.290 48 2HB ALA 9 2HB ALA 9 0.953 -1.879 1.670 49 3HB ALA 9 3HB ALA 9 -0.584 -2.433 2.334 50 H TRP 10 H TRP 10 1.138 1.376 1.079 51 HA TRP 10 HA TRP 10 1.173 2.674 3.658 52 1HB TRP 10 2HB TRP 10 3.113 3.653 2.998 53 2HB TRP 10 1HB TRP 10 3.078 2.454 1.721 54 HD1 TRP 10 HD TRP 10 3.856 5.860 2.170 55 HE1 TRP 10 1HE TRP 10 3.594 7.284 0.055 56 HE3 TRP 10 3HE TRP 10 0.961 2.693 -0.629 57 HZ2 TRP 10 2HZ TRP 10 2.343 7.113 -2.451 58 HZ3 TRP 10 3HZ TRP 10 0.280 3.411 -2.876 59 HH2 TRP 10 HH TRP 10 0.957 5.577 -3.769 60 H ARG 11 H ARG 11 -0.548 2.811 0.771 61 HA ARG 11 HA ARG 11 -1.287 5.543 0.860 62 1HB ARG 11 2HB ARG 11 -1.265 4.152 -1.226 63 2HB ARG 11 1HB ARG 11 -2.703 3.339 -0.624 64 1HG ARG 11 2HG ARG 11 -3.949 5.398 -0.678 65 2HG ARG 11 1HG ARG 11 -2.502 6.298 -1.138 66 1HD ARG 11 2HD ARG 11 -2.379 4.922 -3.205 67 2HD ARG 11 1HD ARG 11 -3.911 4.177 -2.755 68 HE ARG 11 HE ARG 11 -4.973 6.015 -3.570 69 1HH1 ARG 11 1HH1 ARG 11 -1.659 6.906 -2.885 70 2HH1 ARG 11 2HH1 ARG 11 -1.830 8.523 -3.483 71 1HH2 ARG 11 1HH2 ARG 11 -5.207 8.151 -4.369 72 2HH2 ARG 11 2HH2 ARG 11 -3.855 9.232 -4.332 73 1HN SEC 12 H SEC 12 -2.715 2.489 1.848 74 HA SEC 12 HA SEC 12 -5.109 3.759 2.885 75 1HB SEC 12 1HB SEC 12 -5.389 1.603 1.823 76 2HB SEC 12 2HB SEC 12 -5.720 1.417 3.546 Start of MODEL 13 1 1H GLY 1 H GLY 1 -9.741 4.019 -1.262 2 1HA GLY 1 2HA GLY 1 -9.177 1.878 0.530 3 2HA GLY 1 1HA GLY 1 -10.386 1.875 -0.747 4 1HN SEC 2 H SEC 2 -6.940 2.421 -1.157 5 HA SEC 2 HA SEC 2 -6.823 0.086 -2.919 6 1HB SEC 2 1HB SEC 2 -4.695 2.215 -2.559 7 2HB SEC 2 2HB SEC 2 -6.026 2.396 -3.702 8 1HN SEC 3 H SEC 3 -7.098 -0.745 -0.524 9 HA SEC 3 HA SEC 3 -4.537 -0.927 0.839 10 1HB SEC 3 1HB SEC 3 -6.929 -2.325 1.847 11 2HB SEC 3 2HB SEC 3 -7.022 -0.564 1.768 12 H SER 4 H SER 4 -5.627 -2.518 -1.644 13 HA SER 4 HA SER 4 -4.981 -5.206 -0.655 14 1HB SER 4 2HB SER 4 -6.320 -4.472 -3.261 15 2HB SER 4 1HB SER 4 -6.206 -6.075 -2.533 16 HG SER 4 HG SER 4 -7.519 -5.354 -0.845 17 H ASP 5 H ASP 5 -2.862 -3.290 -1.298 18 HA ASP 5 HA ASP 5 -1.339 -5.003 -3.066 19 1HB ASP 5 2HB ASP 5 -2.217 -3.587 -4.761 20 2HB ASP 5 1HB ASP 5 -1.949 -2.144 -3.801 21 HA PRO 6 HA PRO 6 1.833 -4.246 -0.133 22 1HB PRO 6 2HB PRO 6 3.988 -4.190 -1.919 23 2HB PRO 6 1HB PRO 6 3.333 -5.612 -1.104 24 1HG PRO 6 2HG PRO 6 2.811 -4.593 -3.858 25 2HG PRO 6 1HG PRO 6 2.943 -6.266 -3.283 26 1HD PRO 6 2HD PRO 6 0.564 -5.193 -3.833 27 2HD PRO 6 1HD PRO 6 0.773 -6.273 -2.437 28 H ARG 7 H ARG 7 1.982 -2.193 -3.057 29 HA ARG 7 HA ARG 7 3.515 -0.200 -1.538 30 1HB ARG 7 2HB ARG 7 3.973 0.879 -3.496 31 2HB ARG 7 1HB ARG 7 3.932 -0.799 -4.012 32 1HG ARG 7 2HG ARG 7 1.360 -0.025 -4.438 33 2HG ARG 7 1HG ARG 7 2.235 1.473 -4.759 34 1HD ARG 7 2HD ARG 7 2.319 0.538 -6.839 35 2HD ARG 7 1HD ARG 7 3.785 -0.162 -6.151 36 HE ARG 7 HE ARG 7 1.540 -1.818 -5.627 37 1HH1 ARG 7 1HH1 ARG 7 3.741 -0.912 -8.204 38 2HH1 ARG 7 2HH1 ARG 7 3.501 -2.377 -9.094 39 1HH2 ARG 7 1HH2 ARG 7 1.204 -3.726 -6.775 40 2HH2 ARG 7 2HH2 ARG 7 2.047 -3.994 -8.279 41 1HN SEC 8 H SEC 8 0.491 -1.008 -1.934 42 HA SEC 8 HA SEC 8 -0.607 1.688 -1.757 43 1HB SEC 8 1HB SEC 8 -2.752 -0.016 -1.947 44 2HB SEC 8 2HB SEC 8 -1.517 -0.832 -2.900 45 H ALA 9 H ALA 9 0.139 -1.088 0.035 46 HA ALA 9 HA ALA 9 -1.806 -0.936 2.076 47 1HB ALA 9 1HB ALA 9 0.859 -2.215 1.771 48 2HB ALA 9 2HB ALA 9 -0.690 -2.925 2.230 49 3HB ALA 9 3HB ALA 9 0.240 -1.997 3.408 50 H TRP 10 H TRP 10 1.188 0.661 1.390 51 HA TRP 10 HA TRP 10 0.944 2.227 3.829 52 1HB TRP 10 2HB TRP 10 3.183 3.197 3.085 53 2HB TRP 10 1HB TRP 10 3.146 1.555 3.677 54 HD1 TRP 10 HD TRP 10 4.357 -0.173 2.300 55 HE1 TRP 10 1HE TRP 10 5.499 -0.220 0.002 56 HE3 TRP 10 3HE TRP 10 2.743 4.331 0.467 57 HZ2 TRP 10 2HZ TRP 10 5.714 1.425 -2.269 58 HZ3 TRP 10 3HZ TRP 10 3.483 5.021 -1.768 59 HH2 TRP 10 HH TRP 10 4.933 3.593 -3.113 60 H ARG 11 H ARG 11 -0.934 2.427 1.803 61 HA ARG 11 HA ARG 11 -0.675 5.264 1.132 62 1HB ARG 11 2HB ARG 11 -0.246 3.862 -0.897 63 2HB ARG 11 1HB ARG 11 -1.857 3.182 -0.721 64 1HG ARG 11 2HG ARG 11 -1.796 4.935 -2.412 65 2HG ARG 11 1HG ARG 11 -2.843 5.377 -1.061 66 1HD ARG 11 2HD ARG 11 -1.437 7.253 -1.795 67 2HD ARG 11 1HD ARG 11 -1.101 6.781 -0.130 68 HE ARG 11 HE ARG 11 0.667 5.422 -1.836 69 1HH1 ARG 11 1HH1 ARG 11 0.016 8.645 -0.656 70 2HH1 ARG 11 2HH1 ARG 11 1.655 9.182 -0.816 71 1HH2 ARG 11 1HH2 ARG 11 2.841 6.118 -2.052 72 2HH2 ARG 11 2HH2 ARG 11 3.269 7.737 -1.614 73 1HN SEC 12 H SEC 12 -2.645 2.467 1.864 74 HA SEC 12 HA SEC 12 -5.119 3.953 2.052 75 1HB SEC 12 1HB SEC 12 -5.230 1.660 1.264 76 2HB SEC 12 2HB SEC 12 -6.014 1.737 2.844 Start of MODEL 14 1 1H GLY 1 H GLY 1 -10.978 1.682 -1.469 2 1HA GLY 1 2HA GLY 1 -8.827 3.197 -0.279 3 2HA GLY 1 1HA GLY 1 -9.329 1.799 0.662 4 1HN SEC 2 H SEC 2 -6.886 2.575 -1.049 5 HA SEC 2 HA SEC 2 -6.835 0.278 -2.856 6 1HB SEC 2 1HB SEC 2 -4.740 2.448 -2.518 7 2HB SEC 2 2HB SEC 2 -6.065 2.549 -3.678 8 1HN SEC 3 H SEC 3 -7.022 -0.628 -0.495 9 HA SEC 3 HA SEC 3 -4.418 -0.846 0.781 10 1HB SEC 3 1HB SEC 3 -6.790 -2.254 1.823 11 2HB SEC 3 2HB SEC 3 -6.874 -0.493 1.790 12 H SER 4 H SER 4 -5.612 -2.355 -1.708 13 HA SER 4 HA SER 4 -5.114 -5.098 -0.843 14 1HB SER 4 2HB SER 4 -6.178 -4.153 -3.503 15 2HB SER 4 1HB SER 4 -6.242 -5.789 -2.845 16 HG SER 4 HG SER 4 -7.857 -5.236 -1.577 17 H ASP 5 H ASP 5 -2.838 -3.177 -1.392 18 HA ASP 5 HA ASP 5 -1.291 -5.046 -2.980 19 1HB ASP 5 2HB ASP 5 -2.115 -3.545 -4.738 20 2HB ASP 5 1HB ASP 5 -1.526 -2.152 -3.848 21 HA PRO 6 HA PRO 6 1.737 -4.085 0.098 22 1HB PRO 6 2HB PRO 6 4.011 -4.281 -1.506 23 2HB PRO 6 1HB PRO 6 3.235 -5.613 -0.648 24 1HG PRO 6 2HG PRO 6 2.978 -4.791 -3.504 25 2HG PRO 6 1HG PRO 6 3.014 -6.419 -2.801 26 1HD PRO 6 2HD PRO 6 0.721 -5.319 -3.622 27 2HD PRO 6 1HD PRO 6 0.782 -6.324 -2.158 28 H ARG 7 H ARG 7 1.921 -2.430 -3.022 29 HA ARG 7 HA ARG 7 3.462 -0.220 -1.878 30 1HB ARG 7 2HB ARG 7 2.436 -0.786 -4.644 31 2HB ARG 7 1HB ARG 7 3.227 0.714 -4.186 32 1HG ARG 7 2HG ARG 7 5.260 -0.213 -4.121 33 2HG ARG 7 1HG ARG 7 4.656 -1.745 -3.482 34 1HD ARG 7 2HD ARG 7 4.585 -0.787 -6.339 35 2HD ARG 7 1HD ARG 7 5.472 -2.166 -5.692 36 HE ARG 7 HE ARG 7 2.662 -2.432 -5.239 37 1HH1 ARG 7 1HH1 ARG 7 5.108 -2.731 -7.729 38 2HH1 ARG 7 2HH1 ARG 7 4.209 -3.886 -8.654 39 1HH2 ARG 7 1HH2 ARG 7 1.469 -3.963 -6.434 40 2HH2 ARG 7 2HH2 ARG 7 2.134 -4.586 -7.918 41 1HN SEC 8 H SEC 8 0.572 -1.028 -1.459 42 HA SEC 8 HA SEC 8 -0.501 1.678 -1.642 43 1HB SEC 8 1HB SEC 8 -2.697 -0.019 -1.907 44 2HB SEC 8 2HB SEC 8 -1.461 -0.720 -2.947 45 H ALA 9 H ALA 9 0.225 -1.051 0.146 46 HA ALA 9 HA ALA 9 -1.762 -0.929 2.163 47 1HB ALA 9 1HB ALA 9 0.892 -2.222 1.858 48 2HB ALA 9 2HB ALA 9 -0.655 -2.916 2.346 49 3HB ALA 9 3HB ALA 9 0.297 -1.981 3.501 50 H TRP 10 H TRP 10 1.284 0.620 1.529 51 HA TRP 10 HA TRP 10 0.960 2.244 3.925 52 1HB TRP 10 2HB TRP 10 3.231 3.230 3.064 53 2HB TRP 10 1HB TRP 10 3.172 1.738 3.974 54 HD1 TRP 10 HD TRP 10 4.527 -0.156 3.038 55 HE1 TRP 10 1HE TRP 10 5.707 -0.674 0.820 56 HE3 TRP 10 3HE TRP 10 2.723 3.711 0.184 57 HZ2 TRP 10 2HZ TRP 10 5.885 0.406 -1.765 58 HZ3 TRP 10 3HZ TRP 10 3.475 3.899 -2.137 59 HH2 TRP 10 HH TRP 10 5.018 2.274 -3.098 60 H ARG 11 H ARG 11 -0.820 2.384 1.783 61 HA ARG 11 HA ARG 11 -0.500 5.199 1.053 62 1HB ARG 11 2HB ARG 11 -0.012 3.829 -0.939 63 2HB ARG 11 1HB ARG 11 -1.574 3.037 -0.774 64 1HG ARG 11 2HG ARG 11 -1.641 4.737 -2.501 65 2HG ARG 11 1HG ARG 11 -2.699 5.172 -1.156 66 1HD ARG 11 2HD ARG 11 -0.859 6.605 -0.269 67 2HD ARG 11 1HD ARG 11 0.051 6.265 -1.740 68 HE ARG 11 HE ARG 11 -1.226 7.796 -2.832 69 1HH1 ARG 11 1HH1 ARG 11 -2.915 6.885 0.109 70 2HH1 ARG 11 2HH1 ARG 11 -4.189 8.039 -0.120 71 1HH2 ARG 11 1HH2 ARG 11 -2.917 9.311 -3.132 72 2HH2 ARG 11 2HH2 ARG 11 -4.193 9.415 -1.967 73 1HN SEC 12 H SEC 12 -2.530 2.476 1.859 74 HA SEC 12 HA SEC 12 -5.006 3.963 1.834 75 1HB SEC 12 1HB SEC 12 -5.128 1.633 1.224 76 2HB SEC 12 2HB SEC 12 -5.908 1.795 2.800 Start of MODEL 15 1 1H GLY 1 H GLY 1 -9.123 3.370 0.986 2 1HA GLY 1 2HA GLY 1 -10.135 1.522 -0.299 3 2HA GLY 1 1HA GLY 1 -9.733 2.865 -1.359 4 1HN SEC 2 H SEC 2 -6.905 2.488 -1.267 5 HA SEC 2 HA SEC 2 -6.690 0.165 -3.037 6 1HB SEC 2 1HB SEC 2 -4.624 2.332 -2.567 7 2HB SEC 2 2HB SEC 2 -5.908 2.492 -3.765 8 1HN SEC 3 H SEC 3 -7.049 -0.639 -0.613 9 HA SEC 3 HA SEC 3 -4.531 -0.846 0.816 10 1HB SEC 3 1HB SEC 3 -6.981 -2.195 1.759 11 2HB SEC 3 2HB SEC 3 -7.033 -0.434 1.668 12 H SER 4 H SER 4 -5.615 -2.471 -1.671 13 HA SER 4 HA SER 4 -4.949 -5.131 -0.618 14 1HB SER 4 2HB SER 4 -6.384 -4.455 -3.191 15 2HB SER 4 1HB SER 4 -6.189 -6.058 -2.479 16 HG SER 4 HG SER 4 -7.346 -5.162 -0.619 17 H ASP 5 H ASP 5 -2.845 -3.274 -1.284 18 HA ASP 5 HA ASP 5 -1.381 -4.973 -3.115 19 1HB ASP 5 2HB ASP 5 -2.258 -3.497 -4.758 20 2HB ASP 5 1HB ASP 5 -1.972 -2.085 -3.757 21 HA PRO 6 HA PRO 6 1.833 -4.308 -0.170 22 1HB PRO 6 2HB PRO 6 3.614 -4.374 -2.557 23 2HB PRO 6 1HB PRO 6 3.715 -5.289 -1.048 24 1HG PRO 6 2HG PRO 6 2.827 -6.451 -3.264 25 2HG PRO 6 1HG PRO 6 2.068 -6.793 -1.698 26 1HD PRO 6 2HD PRO 6 1.097 -5.082 -3.943 27 2HD PRO 6 1HD PRO 6 0.178 -6.120 -2.833 28 H ARG 7 H ARG 7 1.951 -2.340 -3.129 29 HA ARG 7 HA ARG 7 3.480 -0.286 -1.681 30 1HB ARG 7 2HB ARG 7 2.860 -0.707 -4.584 31 2HB ARG 7 1HB ARG 7 3.428 0.836 -3.967 32 1HG ARG 7 2HG ARG 7 5.527 0.105 -3.669 33 2HG ARG 7 1HG ARG 7 5.008 -1.506 -3.170 34 1HD ARG 7 2HD ARG 7 4.805 -0.579 -6.029 35 2HD ARG 7 1HD ARG 7 6.275 -1.313 -5.392 36 HE ARG 7 HE ARG 7 5.240 -3.361 -5.416 37 1HH1 ARG 7 1HH1 ARG 7 2.861 -0.910 -6.160 38 2HH1 ARG 7 2HH1 ARG 7 1.539 -2.030 -6.245 39 1HH2 ARG 7 1HH2 ARG 7 3.490 -4.854 -5.634 40 2HH2 ARG 7 2HH2 ARG 7 1.891 -4.249 -5.969 41 1HN SEC 8 H SEC 8 0.674 -0.999 -1.381 42 HA SEC 8 HA SEC 8 -0.434 1.685 -1.644 43 1HB SEC 8 1HB SEC 8 -2.600 -0.042 -1.973 44 2HB SEC 8 2HB SEC 8 -1.319 -0.724 -2.972 45 H ALA 9 H ALA 9 0.213 -1.052 0.197 46 HA ALA 9 HA ALA 9 -1.866 -0.930 2.109 47 1HB ALA 9 1HB ALA 9 0.160 -1.906 3.567 48 2HB ALA 9 2HB ALA 9 0.811 -2.183 1.951 49 3HB ALA 9 3HB ALA 9 -0.743 -2.882 2.409 50 H TRP 10 H TRP 10 1.163 0.691 1.624 51 HA TRP 10 HA TRP 10 0.686 2.338 3.981 52 1HB TRP 10 2HB TRP 10 2.985 3.344 3.241 53 2HB TRP 10 1HB TRP 10 2.903 1.846 4.142 54 HD1 TRP 10 HD TRP 10 4.316 -0.033 3.255 55 HE1 TRP 10 1HE TRP 10 5.586 -0.531 1.082 56 HE3 TRP 10 3HE TRP 10 2.593 3.836 0.357 57 HZ2 TRP 10 2HZ TRP 10 5.856 0.565 -1.488 58 HZ3 TRP 10 3HZ TRP 10 3.432 4.040 -1.934 59 HH2 TRP 10 HH TRP 10 5.024 2.433 -2.843 60 H ARG 11 H ARG 11 -1.054 2.489 1.906 61 HA ARG 11 HA ARG 11 -0.705 5.265 1.061 62 1HB ARG 11 2HB ARG 11 -0.156 3.773 -0.855 63 2HB ARG 11 1HB ARG 11 -1.757 3.062 -0.731 64 1HG ARG 11 2HG ARG 11 -1.675 4.688 -2.521 65 2HG ARG 11 1HG ARG 11 -2.760 5.233 -1.240 66 1HD ARG 11 2HD ARG 11 -1.322 7.042 -2.107 67 2HD ARG 11 1HD ARG 11 -1.074 6.734 -0.390 68 HE ARG 11 HE ARG 11 1.097 6.284 -0.863 69 1HH1 ARG 11 1HH1 ARG 11 -0.745 5.711 -3.790 70 2HH1 ARG 11 2HH1 ARG 11 0.645 5.310 -4.740 71 1HH2 ARG 11 1HH2 ARG 11 2.934 5.777 -2.122 72 2HH2 ARG 11 2HH2 ARG 11 2.743 5.350 -3.791 73 1HN SEC 12 H SEC 12 -2.718 2.533 1.859 74 HA SEC 12 HA SEC 12 -5.209 3.997 1.766 75 1HB SEC 12 1HB SEC 12 -5.255 1.655 1.145 76 2HB SEC 12 2HB SEC 12 -6.130 1.829 2.669 Start of MODEL 16 1 1H GLY 1 H GLY 1 -8.768 3.240 1.634 2 1HA GLY 1 2HA GLY 1 -9.914 1.436 0.447 3 2HA GLY 1 1HA GLY 1 -9.719 2.807 -0.635 4 1HN SEC 2 H SEC 2 -6.904 2.516 -1.002 5 HA SEC 2 HA SEC 2 -6.910 0.224 -2.828 6 1HB SEC 2 1HB SEC 2 -4.990 2.571 -2.633 7 2HB SEC 2 2HB SEC 2 -6.324 2.444 -3.779 8 1HN SEC 3 H SEC 3 -6.821 -0.600 -0.343 9 HA SEC 3 HA SEC 3 -4.054 -0.754 0.537 10 1HB SEC 3 1HB SEC 3 -6.207 -2.166 1.977 11 2HB SEC 3 2HB SEC 3 -6.332 -0.407 1.902 12 H SER 4 H SER 4 -5.642 -2.362 -1.665 13 HA SER 4 HA SER 4 -5.051 -5.083 -0.861 14 1HB SER 4 2HB SER 4 -6.153 -4.120 -3.502 15 2HB SER 4 1HB SER 4 -6.248 -5.748 -2.829 16 HG SER 4 HG SER 4 -8.007 -5.135 -1.882 17 H ASP 5 H ASP 5 -2.785 -3.199 -1.413 18 HA ASP 5 HA ASP 5 -1.268 -5.024 -3.071 19 1HB ASP 5 2HB ASP 5 -2.083 -3.536 -4.802 20 2HB ASP 5 1HB ASP 5 -1.619 -2.122 -3.867 21 HA PRO 6 HA PRO 6 1.791 -4.280 0.020 22 1HB PRO 6 2HB PRO 6 3.707 -4.381 -2.261 23 2HB PRO 6 1HB PRO 6 3.732 -5.262 -0.729 24 1HG PRO 6 2HG PRO 6 2.980 -6.481 -2.963 25 2HG PRO 6 1HG PRO 6 2.140 -6.798 -1.434 26 1HD PRO 6 2HD PRO 6 1.274 -5.155 -3.770 27 2HD PRO 6 1HD PRO 6 0.307 -6.169 -2.681 28 H ARG 7 H ARG 7 2.002 -2.373 -2.965 29 HA ARG 7 HA ARG 7 3.467 -0.261 -1.521 30 1HB ARG 7 2HB ARG 7 2.873 -0.646 -4.445 31 2HB ARG 7 1HB ARG 7 3.658 0.768 -3.764 32 1HG ARG 7 2HG ARG 7 5.560 -0.418 -3.166 33 2HG ARG 7 1HG ARG 7 4.744 -1.977 -3.317 34 1HD ARG 7 2HD ARG 7 5.834 -0.190 -5.448 35 2HD ARG 7 1HD ARG 7 5.992 -1.935 -5.264 36 HE ARG 7 HE ARG 7 4.047 -0.583 -6.787 37 1HH1 ARG 7 1HH1 ARG 7 4.365 -3.393 -4.711 38 2HH1 ARG 7 2HH1 ARG 7 2.911 -4.135 -5.290 39 1HH2 ARG 7 1HH2 ARG 7 2.145 -1.602 -7.565 40 2HH2 ARG 7 2HH2 ARG 7 1.632 -3.112 -6.875 41 1HN SEC 8 H SEC 8 0.585 -1.002 -1.440 42 HA SEC 8 HA SEC 8 -0.443 1.707 -1.772 43 1HB SEC 8 1HB SEC 8 -2.499 -0.266 -2.308 44 2HB SEC 8 2HB SEC 8 -1.145 -0.441 -3.426 45 H ALA 9 H ALA 9 -0.029 -1.097 0.041 46 HA ALA 9 HA ALA 9 -2.212 -0.967 1.820 47 1HB ALA 9 1HB ALA 9 -0.130 -2.690 1.495 48 2HB ALA 9 2HB ALA 9 -1.190 -2.670 2.904 49 3HB ALA 9 3HB ALA 9 0.360 -1.830 2.954 50 H TRP 10 H TRP 10 1.017 0.405 1.799 51 HA TRP 10 HA TRP 10 0.331 2.094 4.060 52 1HB TRP 10 2HB TRP 10 2.748 2.973 3.611 53 2HB TRP 10 1HB TRP 10 2.485 1.456 4.441 54 HD1 TRP 10 HD TRP 10 3.981 -0.405 3.700 55 HE1 TRP 10 1HE TRP 10 5.426 -0.935 1.646 56 HE3 TRP 10 3HE TRP 10 2.584 3.481 0.646 57 HZ2 TRP 10 2HZ TRP 10 5.936 0.139 -0.895 58 HZ3 TRP 10 3HZ TRP 10 3.624 3.654 -1.564 59 HH2 TRP 10 HH TRP 10 5.259 2.013 -2.325 60 H ARG 11 H ARG 11 -1.161 2.397 1.816 61 HA ARG 11 HA ARG 11 -0.631 5.181 1.174 62 1HB ARG 11 2HB ARG 11 0.310 3.762 -0.670 63 2HB ARG 11 1HB ARG 11 -1.311 3.152 -0.962 64 1HG ARG 11 2HG ARG 11 -0.675 4.918 -2.535 65 2HG ARG 11 1HG ARG 11 -2.077 5.365 -1.559 66 1HD ARG 11 2HD ARG 11 -0.480 7.220 -1.792 67 2HD ARG 11 1HD ARG 11 -0.681 6.720 -0.115 68 HE ARG 11 HE ARG 11 1.535 6.224 -0.057 69 1HH1 ARG 11 1HH1 ARG 11 0.533 6.210 -3.413 70 2HH1 ARG 11 2HH1 ARG 11 2.130 5.941 -4.025 71 1HH2 ARG 11 1HH2 ARG 11 3.647 5.876 -0.858 72 2HH2 ARG 11 2HH2 ARG 11 3.908 5.751 -2.566 73 1HN SEC 12 H SEC 12 -2.678 2.682 2.066 74 HA SEC 12 HA SEC 12 -5.148 3.821 1.098 75 1HB SEC 12 1HB SEC 12 -4.689 1.318 1.342 76 2HB SEC 12 2HB SEC 12 -6.208 1.894 2.030 Start of MODEL 17 1 1H GLY 1 H GLY 1 -9.783 3.998 -0.860 2 1HA GLY 1 2HA GLY 1 -9.192 1.731 0.757 3 2HA GLY 1 1HA GLY 1 -10.407 1.815 -0.511 4 1HN SEC 2 H SEC 2 -6.999 2.468 -0.957 5 HA SEC 2 HA SEC 2 -6.850 0.238 -2.849 6 1HB SEC 2 1HB SEC 2 -4.852 2.480 -2.406 7 2HB SEC 2 2HB SEC 2 -6.164 2.562 -3.581 8 1HN SEC 3 H SEC 3 -7.021 -0.708 -0.470 9 HA SEC 3 HA SEC 3 -4.403 -0.902 0.774 10 1HB SEC 3 1HB SEC 3 -6.747 -2.357 1.819 11 2HB SEC 3 2HB SEC 3 -6.857 -0.597 1.803 12 H SER 4 H SER 4 -5.626 -2.409 -1.714 13 HA SER 4 HA SER 4 -5.062 -5.149 -0.886 14 1HB SER 4 2HB SER 4 -6.160 -4.197 -3.530 15 2HB SER 4 1HB SER 4 -6.197 -5.837 -2.883 16 HG SER 4 HG SER 4 -7.847 -5.327 -1.664 17 H ASP 5 H ASP 5 -2.820 -3.201 -1.408 18 HA ASP 5 HA ASP 5 -1.260 -5.010 -3.051 19 1HB ASP 5 2HB ASP 5 -2.113 -3.475 -4.765 20 2HB ASP 5 1HB ASP 5 -1.538 -2.097 -3.841 21 HA PRO 6 HA PRO 6 1.781 -4.098 0.034 22 1HB PRO 6 2HB PRO 6 3.732 -4.276 -2.206 23 2HB PRO 6 1HB PRO 6 3.722 -5.118 -0.652 24 1HG PRO 6 2HG PRO 6 3.033 -6.391 -2.883 25 2HG PRO 6 1HG PRO 6 2.165 -6.687 -1.364 26 1HD PRO 6 2HD PRO 6 1.336 -5.082 -3.742 27 2HD PRO 6 1HD PRO 6 0.356 -6.107 -2.675 28 H ARG 7 H ARG 7 1.911 -2.375 -3.049 29 HA ARG 7 HA ARG 7 3.435 -0.170 -1.870 30 1HB ARG 7 2HB ARG 7 2.427 -0.700 -4.651 31 2HB ARG 7 1HB ARG 7 3.210 0.793 -4.162 32 1HG ARG 7 2HG ARG 7 5.246 -0.126 -4.107 33 2HG ARG 7 1HG ARG 7 4.647 -1.671 -3.500 34 1HD ARG 7 2HD ARG 7 4.587 -0.658 -6.338 35 2HD ARG 7 1HD ARG 7 5.466 -2.054 -5.713 36 HE ARG 7 HE ARG 7 2.660 -2.329 -5.268 37 1HH1 ARG 7 1HH1 ARG 7 5.086 -2.544 -7.788 38 2HH1 ARG 7 2HH1 ARG 7 4.182 -3.672 -8.739 39 1HH2 ARG 7 1HH2 ARG 7 1.460 -3.823 -6.500 40 2HH2 ARG 7 2HH2 ARG 7 2.114 -4.398 -8.010 41 1HN SEC 8 H SEC 8 0.604 -0.995 -1.388 42 HA SEC 8 HA SEC 8 -0.509 1.686 -1.541 43 1HB SEC 8 1HB SEC 8 -2.678 -0.063 -1.905 44 2HB SEC 8 2HB SEC 8 -1.416 -0.615 -3.005 45 H ALA 9 H ALA 9 0.255 -1.038 0.206 46 HA ALA 9 HA ALA 9 -1.790 -1.016 2.175 47 1HB ALA 9 1HB ALA 9 0.912 -2.216 1.920 48 2HB ALA 9 2HB ALA 9 -0.620 -2.966 2.371 49 3HB ALA 9 3HB ALA 9 0.275 -2.008 3.552 50 H TRP 10 H TRP 10 1.233 0.608 1.638 51 HA TRP 10 HA TRP 10 0.784 2.259 3.998 52 1HB TRP 10 2HB TRP 10 3.079 3.256 3.210 53 2HB TRP 10 1HB TRP 10 3.005 1.778 4.142 54 HD1 TRP 10 HD TRP 10 4.444 -0.092 3.295 55 HE1 TRP 10 1HE TRP 10 5.680 -0.650 1.118 56 HE3 TRP 10 3HE TRP 10 2.610 3.647 0.285 57 HZ2 TRP 10 2HZ TRP 10 5.888 0.354 -1.495 58 HZ3 TRP 10 3HZ TRP 10 3.408 3.778 -2.025 59 HH2 TRP 10 HH TRP 10 5.007 2.160 -2.902 60 H ARG 11 H ARG 11 -0.964 2.385 1.884 61 HA ARG 11 HA ARG 11 -0.637 5.170 1.082 62 1HB ARG 11 2HB ARG 11 0.127 3.727 -0.792 63 2HB ARG 11 1HB ARG 11 -1.462 2.981 -0.835 64 1HG ARG 11 2HG ARG 11 -2.475 4.894 -1.677 65 2HG ARG 11 1HG ARG 11 -1.145 5.938 -1.166 66 1HD ARG 11 2HD ARG 11 0.312 4.925 -2.832 67 2HD ARG 11 1HD ARG 11 -0.977 3.826 -3.316 68 HE ARG 11 HE ARG 11 -0.713 6.629 -3.994 69 1HH1 ARG 11 1HH1 ARG 11 -2.737 3.778 -4.000 70 2HH1 ARG 11 2HH1 ARG 11 -3.897 4.443 -5.102 71 1HH2 ARG 11 1HH2 ARG 11 -2.240 7.517 -5.458 72 2HH2 ARG 11 2HH2 ARG 11 -3.614 6.577 -5.933 73 1HN SEC 12 H SEC 12 -2.612 2.453 1.923 74 HA SEC 12 HA SEC 12 -5.143 3.782 1.498 75 1HB SEC 12 1HB SEC 12 -5.156 1.413 1.123 76 2HB SEC 12 2HB SEC 12 -6.023 1.670 2.640 Start of MODEL 18 1 1H GLY 1 H GLY 1 -8.833 3.063 1.759 2 1HA GLY 1 2HA GLY 1 -9.961 1.395 0.442 3 2HA GLY 1 1HA GLY 1 -9.746 2.794 -0.602 4 1HN SEC 2 H SEC 2 -6.941 2.528 -0.958 5 HA SEC 2 HA SEC 2 -6.909 0.262 -2.815 6 1HB SEC 2 1HB SEC 2 -5.026 2.634 -2.576 7 2HB SEC 2 2HB SEC 2 -6.345 2.496 -3.739 8 1HN SEC 3 H SEC 3 -6.825 -0.596 -0.342 9 HA SEC 3 HA SEC 3 -4.059 -0.727 0.547 10 1HB SEC 3 1HB SEC 3 -6.197 -2.168 1.977 11 2HB SEC 3 2HB SEC 3 -6.348 -0.412 1.907 12 H SER 4 H SER 4 -5.646 -2.337 -1.663 13 HA SER 4 HA SER 4 -5.021 -5.056 -0.879 14 1HB SER 4 2HB SER 4 -6.152 -4.090 -3.505 15 2HB SER 4 1HB SER 4 -6.226 -5.723 -2.841 16 HG SER 4 HG SER 4 -7.990 -5.132 -1.890 17 H ASP 5 H ASP 5 -2.758 -3.200 -1.392 18 HA ASP 5 HA ASP 5 -1.256 -4.978 -3.119 19 1HB ASP 5 2HB ASP 5 -2.020 -3.418 -4.800 20 2HB ASP 5 1HB ASP 5 -1.583 -2.045 -3.793 21 HA PRO 6 HA PRO 6 1.792 -4.277 0.001 22 1HB PRO 6 2HB PRO 6 4.049 -4.445 -1.635 23 2HB PRO 6 1HB PRO 6 3.248 -5.794 -0.826 24 1HG PRO 6 2HG PRO 6 2.994 -4.847 -3.641 25 2HG PRO 6 1HG PRO 6 2.973 -6.502 -3.003 26 1HD PRO 6 2HD PRO 6 0.720 -5.277 -3.768 27 2HD PRO 6 1HD PRO 6 0.748 -6.356 -2.356 28 H ARG 7 H ARG 7 1.885 -2.361 -2.968 29 HA ARG 7 HA ARG 7 3.451 -0.284 -1.575 30 1HB ARG 7 2HB ARG 7 2.818 -0.683 -4.490 31 2HB ARG 7 1HB ARG 7 3.519 0.786 -3.839 32 1HG ARG 7 2HG ARG 7 5.311 -0.462 -4.699 33 2HG ARG 7 1HG ARG 7 5.382 -0.643 -2.942 34 1HD ARG 7 2HD ARG 7 5.690 -2.748 -4.411 35 2HD ARG 7 1HD ARG 7 4.619 -2.844 -3.014 36 HE ARG 7 HE ARG 7 2.843 -3.176 -4.424 37 1HH1 ARG 7 1HH1 ARG 7 5.545 -2.042 -6.343 38 2HH1 ARG 7 2HH1 ARG 7 4.712 -2.236 -7.846 39 1HH2 ARG 7 1HH2 ARG 7 1.737 -3.428 -6.366 40 2HH2 ARG 7 2HH2 ARG 7 2.533 -3.029 -7.864 41 1HN SEC 8 H SEC 8 0.582 -0.992 -1.379 42 HA SEC 8 HA SEC 8 -0.432 1.718 -1.675 43 1HB SEC 8 1HB SEC 8 -2.507 -0.225 -2.256 44 2HB SEC 8 2HB SEC 8 -1.157 -0.372 -3.384 45 H ALA 9 H ALA 9 0.011 -1.088 0.097 46 HA ALA 9 HA ALA 9 -2.180 -1.013 1.877 47 1HB ALA 9 1HB ALA 9 -0.359 -2.844 1.571 48 2HB ALA 9 2HB ALA 9 -1.000 -2.543 3.186 49 3HB ALA 9 3HB ALA 9 0.565 -1.876 2.721 50 H TRP 10 H TRP 10 1.006 0.436 1.823 51 HA TRP 10 HA TRP 10 0.312 2.104 4.106 52 1HB TRP 10 2HB TRP 10 2.734 2.985 3.646 53 2HB TRP 10 1HB TRP 10 2.469 1.481 4.498 54 HD1 TRP 10 HD TRP 10 3.956 -0.396 3.777 55 HE1 TRP 10 1HE TRP 10 5.387 -0.965 1.725 56 HE3 TRP 10 3HE TRP 10 2.570 3.453 0.666 57 HZ2 TRP 10 2HZ TRP 10 5.892 0.068 -0.834 58 HZ3 TRP 10 3HZ TRP 10 3.600 3.587 -1.548 59 HH2 TRP 10 HH TRP 10 5.221 1.925 -2.290 60 H ARG 11 H ARG 11 -1.137 2.371 1.791 61 HA ARG 11 HA ARG 11 -0.619 5.163 1.149 62 1HB ARG 11 2HB ARG 11 0.431 3.830 -0.642 63 2HB ARG 11 1HB ARG 11 -1.100 3.021 -0.934 64 1HG ARG 11 2HG ARG 11 -2.094 5.111 -1.660 65 2HG ARG 11 1HG ARG 11 -0.590 5.965 -1.304 66 1HD ARG 11 2HD ARG 11 0.582 4.696 -2.986 67 2HD ARG 11 1HD ARG 11 -0.841 3.697 -3.276 68 HE ARG 11 HE ARG 11 -1.584 5.297 -4.699 69 1HH1 ARG 11 1HH1 ARG 11 0.666 6.815 -2.490 70 2HH1 ARG 11 2HH1 ARG 11 0.567 8.368 -3.247 71 1HH2 ARG 11 1HH2 ARG 11 -1.718 7.345 -5.710 72 2HH2 ARG 11 2HH2 ARG 11 -0.795 8.672 -5.087 73 1HN SEC 12 H SEC 12 -2.673 2.701 2.063 74 HA SEC 12 HA SEC 12 -5.115 3.768 0.955 75 1HB SEC 12 1HB SEC 12 -4.685 1.291 1.287 76 2HB SEC 12 2HB SEC 12 -6.198 1.882 1.974 Start of MODEL 19 1 1H GLY 1 H GLY 1 -9.119 2.906 1.376 2 1HA GLY 1 2HA GLY 1 -10.090 1.275 -0.116 3 2HA GLY 1 1HA GLY 1 -9.761 2.714 -1.071 4 1HN SEC 2 H SEC 2 -6.927 2.444 -1.086 5 HA SEC 2 HA SEC 2 -6.679 0.306 -3.071 6 1HB SEC 2 1HB SEC 2 -4.676 2.479 -2.411 7 2HB SEC 2 2HB SEC 2 -5.983 2.704 -3.572 8 1HN SEC 3 H SEC 3 -6.942 -0.615 -0.575 9 HA SEC 3 HA SEC 3 -4.319 -1.047 0.594 10 1HB SEC 3 1HB SEC 3 -6.747 -2.379 1.640 11 2HB SEC 3 2HB SEC 3 -6.694 -0.620 1.737 12 H SER 4 H SER 4 -5.810 -2.365 -1.879 13 HA SER 4 HA SER 4 -5.427 -5.170 -1.248 14 1HB SER 4 2HB SER 4 -6.237 -5.428 -3.664 15 2HB SER 4 1HB SER 4 -7.375 -4.738 -2.507 16 HG SER 4 HG SER 4 -5.974 -3.497 -4.594 17 H ASP 5 H ASP 5 -3.132 -3.258 -1.482 18 HA ASP 5 HA ASP 5 -1.449 -4.977 -3.092 19 1HB ASP 5 2HB ASP 5 -2.150 -3.358 -4.768 20 2HB ASP 5 1HB ASP 5 -1.739 -2.023 -3.699 21 HA PRO 6 HA PRO 6 1.118 -4.184 0.403 22 1HB PRO 6 2HB PRO 6 3.540 -4.921 -0.645 23 2HB PRO 6 1HB PRO 6 2.318 -6.063 -0.074 24 1HG PRO 6 2HG PRO 6 2.916 -5.161 -2.862 25 2HG PRO 6 1HG PRO 6 2.533 -6.788 -2.269 26 1HD PRO 6 2HD PRO 6 0.701 -5.249 -3.511 27 2HD PRO 6 1HD PRO 6 0.262 -6.364 -2.200 28 H ARG 7 H ARG 7 2.125 -2.820 -2.690 29 HA ARG 7 HA ARG 7 3.899 -0.927 -1.408 30 1HB ARG 7 2HB ARG 7 4.143 -1.808 -3.803 31 2HB ARG 7 1HB ARG 7 2.806 -0.737 -4.200 32 1HG ARG 7 2HG ARG 7 4.858 0.348 -4.772 33 2HG ARG 7 1HG ARG 7 4.133 1.179 -3.398 34 1HD ARG 7 2HD ARG 7 6.290 -0.909 -3.129 35 2HD ARG 7 1HD ARG 7 6.626 0.813 -3.274 36 HE ARG 7 HE ARG 7 5.811 -0.574 -0.936 37 1HH1 ARG 7 1HH1 ARG 7 5.477 2.510 -2.567 38 2HH1 ARG 7 2HH1 ARG 7 5.106 3.382 -1.119 39 1HH2 ARG 7 1HH2 ARG 7 5.333 0.580 0.980 40 2HH2 ARG 7 2HH2 ARG 7 5.032 2.285 0.903 41 1HN SEC 8 H SEC 8 0.634 -1.174 -2.450 42 HA SEC 8 HA SEC 8 0.106 1.676 -2.185 43 1HB SEC 8 1HB SEC 8 -2.203 -0.111 -2.431 44 2HB SEC 8 2HB SEC 8 -1.006 -0.324 -3.706 45 H ALA 9 H ALA 9 0.450 -0.856 -0.157 46 HA ALA 9 HA ALA 9 -1.685 -0.560 1.661 47 1HB ALA 9 1HB ALA 9 -0.709 -2.282 2.678 48 2HB ALA 9 2HB ALA 9 0.762 -1.355 2.967 49 3HB ALA 9 3HB ALA 9 0.547 -2.214 1.442 50 H TRP 10 H TRP 10 1.085 1.348 1.014 51 HA TRP 10 HA TRP 10 1.076 2.628 3.608 52 1HB TRP 10 2HB TRP 10 3.052 3.595 3.037 53 2HB TRP 10 1HB TRP 10 3.079 2.289 1.871 54 HD1 TRP 10 HD TRP 10 4.310 5.440 1.951 55 HE1 TRP 10 1HE TRP 10 4.197 6.760 -0.243 56 HE3 TRP 10 3HE TRP 10 0.685 2.739 -0.490 57 HZ2 TRP 10 2HZ TRP 10 2.794 6.689 -2.665 58 HZ3 TRP 10 3HZ TRP 10 0.034 3.449 -2.746 59 HH2 TRP 10 HH TRP 10 1.063 5.383 -3.812 60 H ARG 11 H ARG 11 -0.761 2.746 0.892 61 HA ARG 11 HA ARG 11 -1.352 5.563 0.929 62 1HB ARG 11 2HB ARG 11 -1.313 4.192 -1.170 63 2HB ARG 11 1HB ARG 11 -2.753 3.370 -0.593 64 1HG ARG 11 2HG ARG 11 -4.016 5.416 -0.682 65 2HG ARG 11 1HG ARG 11 -2.566 6.327 -1.116 66 1HD ARG 11 2HD ARG 11 -2.365 5.011 -3.172 67 2HD ARG 11 1HD ARG 11 -3.820 4.117 -2.740 68 HE ARG 11 HE ARG 11 -4.433 6.850 -2.775 69 1HH1 ARG 11 1HH1 ARG 11 -3.532 4.284 -4.976 70 2HH1 ARG 11 2HH1 ARG 11 -4.355 4.976 -6.335 71 1HH2 ARG 11 1HH2 ARG 11 -5.531 7.778 -4.569 72 2HH2 ARG 11 2HH2 ARG 11 -5.496 6.974 -6.102 73 1HN SEC 12 H SEC 12 -2.776 2.521 1.924 74 HA SEC 12 HA SEC 12 -5.195 3.783 2.911 75 1HB SEC 12 1HB SEC 12 -5.424 1.606 1.870 76 2HB SEC 12 2HB SEC 12 -5.799 1.450 3.588 Start of MODEL 20 1 1H GLY 1 H GLY 1 -10.924 1.491 -0.996 2 1HA GLY 1 2HA GLY 1 -8.789 3.078 0.091 3 2HA GLY 1 1HA GLY 1 -9.130 1.643 1.049 4 1HN SEC 2 H SEC 2 -6.859 2.559 -0.815 5 HA SEC 2 HA SEC 2 -6.844 0.301 -2.685 6 1HB SEC 2 1HB SEC 2 -4.939 2.655 -2.453 7 2HB SEC 2 2HB SEC 2 -6.279 2.542 -3.595 8 1HN SEC 3 H SEC 3 -6.739 -0.545 -0.181 9 HA SEC 3 HA SEC 3 -3.951 -0.721 0.635 10 1HB SEC 3 1HB SEC 3 -6.073 -2.119 2.133 11 2HB SEC 3 2HB SEC 3 -6.198 -0.361 2.058 12 H SER 4 H SER 4 -5.661 -2.297 -1.512 13 HA SER 4 HA SER 4 -5.031 -5.029 -0.780 14 1HB SER 4 2HB SER 4 -6.250 -4.070 -3.366 15 2HB SER 4 1HB SER 4 -6.375 -5.671 -2.634 16 HG SER 4 HG SER 4 -8.031 -4.973 -1.565 17 H ASP 5 H ASP 5 -2.791 -3.192 -1.346 18 HA ASP 5 HA ASP 5 -1.364 -4.913 -3.191 19 1HB ASP 5 2HB ASP 5 -2.129 -3.344 -4.815 20 2HB ASP 5 1HB ASP 5 -1.810 -1.978 -3.753 21 HA PRO 6 HA PRO 6 1.774 -4.403 -0.130 22 1HB PRO 6 2HB PRO 6 3.645 -4.498 -2.444 23 2HB PRO 6 1HB PRO 6 3.651 -5.440 -0.949 24 1HG PRO 6 2HG PRO 6 2.818 -6.524 -3.233 25 2HG PRO 6 1HG PRO 6 2.004 -6.889 -1.700 26 1HD PRO 6 2HD PRO 6 1.137 -5.116 -3.935 27 2HD PRO 6 1HD PRO 6 0.163 -6.140 -2.862 28 H ARG 7 H ARG 7 2.035 -2.409 -3.061 29 HA ARG 7 HA ARG 7 3.542 -0.407 -1.521 30 1HB ARG 7 2HB ARG 7 3.107 -0.811 -4.456 31 2HB ARG 7 1HB ARG 7 3.680 0.712 -3.797 32 1HG ARG 7 2HG ARG 7 5.732 -0.082 -3.372 33 2HG ARG 7 1HG ARG 7 5.137 -1.678 -2.908 34 1HD ARG 7 2HD ARG 7 5.070 -0.778 -5.775 35 2HD ARG 7 1HD ARG 7 6.545 -1.445 -5.080 36 HE ARG 7 HE ARG 7 5.602 -3.536 -5.141 37 1HH1 ARG 7 1HH1 ARG 7 3.097 -1.182 -5.849 38 2HH1 ARG 7 2HH1 ARG 7 1.846 -2.375 -6.033 39 1HH2 ARG 7 1HH2 ARG 7 3.959 -5.114 -5.492 40 2HH2 ARG 7 2HH2 ARG 7 2.346 -4.593 -5.876 41 1HN SEC 8 H SEC 8 0.670 -1.015 -1.425 42 HA SEC 8 HA SEC 8 -0.274 1.727 -1.738 43 1HB SEC 8 1HB SEC 8 -2.378 -0.222 -2.275 44 2HB SEC 8 2HB SEC 8 -1.060 -0.316 -3.448 45 H ALA 9 H ALA 9 0.054 -1.104 0.046 46 HA ALA 9 HA ALA 9 -2.127 -0.942 1.818 47 1HB ALA 9 1HB ALA 9 -1.113 -2.919 2.233 48 2HB ALA 9 2HB ALA 9 -0.137 -1.978 3.361 49 3HB ALA 9 3HB ALA 9 0.468 -2.318 1.740 50 H TRP 10 H TRP 10 1.101 0.421 1.798 51 HA TRP 10 HA TRP 10 0.456 2.060 4.105 52 1HB TRP 10 2HB TRP 10 2.864 2.946 3.608 53 2HB TRP 10 1HB TRP 10 2.615 1.414 4.416 54 HD1 TRP 10 HD TRP 10 4.003 -0.483 3.570 55 HE1 TRP 10 1HE TRP 10 5.400 -0.983 1.479 56 HE3 TRP 10 3HE TRP 10 2.706 3.562 0.673 57 HZ2 TRP 10 2HZ TRP 10 5.914 0.165 -1.022 58 HZ3 TRP 10 3HZ TRP 10 3.721 3.781 -1.541 59 HH2 TRP 10 HH TRP 10 5.288 2.111 -2.379 60 H ARG 11 H ARG 11 -0.998 2.363 1.725 61 HA ARG 11 HA ARG 11 -0.480 5.192 1.206 62 1HB ARG 11 2HB ARG 11 0.119 3.278 -0.670 63 2HB ARG 11 1HB ARG 11 -1.529 3.700 -1.109 64 1HG ARG 11 2HG ARG 11 0.730 5.669 -0.808 65 2HG ARG 11 1HG ARG 11 0.168 4.996 -2.338 66 1HD ARG 11 2HD ARG 11 -2.046 5.969 -1.944 67 2HD ARG 11 1HD ARG 11 -1.475 6.646 -0.421 68 HE ARG 11 HE ARG 11 0.194 7.522 -2.508 69 1HH1 ARG 11 1HH1 ARG 11 -3.053 7.947 -1.282 70 2HH1 ARG 11 2HH1 ARG 11 -3.226 9.556 -1.901 71 1HH2 ARG 11 1HH2 ARG 11 -0.014 9.661 -3.334 72 2HH2 ARG 11 2HH2 ARG 11 -1.487 10.535 -3.074 73 1HN SEC 12 H SEC 12 -2.526 2.720 2.125 74 HA SEC 12 HA SEC 12 -5.006 3.864 1.200 75 1HB SEC 12 1HB SEC 12 -4.564 1.368 1.448 76 2HB SEC 12 2HB SEC 12 -6.058 1.955 2.181
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