NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
577897 | 2mmt | 19865 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.220 -0.526 0.638 2 HA2 GLY 1 HA3 GLY 1 2.090 0.188 -1.510 3 HA3 GLY 1 HA2 GLY 1 3.479 0.954 -0.721 4 H GLY 2 H GLY 2 4.370 -0.985 1.122 5 HA2 GLY 2 HA3 GLY 2 5.713 -2.787 -0.740 6 HA3 GLY 2 HA2 GLY 2 5.916 -2.721 1.024 7 H ALA 3 H ALA 3 5.947 -5.157 0.891 8 HA ALA 3 HA ALA 3 3.166 -6.293 0.597 9 HB1 ALA 3 HB1 ALA 3 4.852 -7.120 -1.071 10 HB2 ALA 3 HB2 ALA 3 5.902 -7.658 0.272 11 HB3 ALA 3 HB3 ALA 3 4.298 -8.415 0.033 12 H GLY 4 H GLY 4 3.940 -4.885 3.021 13 HA2 GLY 4 HA3 GLY 4 4.890 -6.912 4.911 14 HA3 GLY 4 HA2 GLY 4 4.367 -5.262 5.268 15 H HIS 5 H HIS 5 3.020 -5.885 7.001 16 HA HIS 5 HA HIS 5 0.869 -7.821 6.476 17 HB2 HIS 5 HB2 HIS 5 2.372 -7.087 8.979 18 HB3 HIS 5 HB3 HIS 5 0.837 -7.948 9.048 19 HD1 HIS 5 HD1 HIS 5 1.302 -10.332 9.462 20 HD2 HIS 5 HD2 HIS 5 4.064 -8.662 6.846 21 HE1 HIS 5 HE1 HIS 5 2.818 -12.222 8.788 22 H VAL 6 H VAL 6 1.433 -4.369 7.317 23 HA VAL 6 HA VAL 6 -1.343 -4.171 8.385 24 HB VAL 6 HB VAL 6 1.097 -2.344 8.676 25 HG11 VAL 6 HG11 VAL 6 -0.227 -1.089 10.329 26 HG12 VAL 6 HG12 VAL 6 -1.092 -1.086 8.772 27 HG13 VAL 6 HG13 VAL 6 -1.626 -2.167 10.099 28 HG21 VAL 6 HG21 VAL 6 1.387 -4.494 9.934 29 HG22 VAL 6 HG22 VAL 6 1.119 -3.137 11.056 30 HG23 VAL 6 HG23 VAL 6 -0.213 -4.272 10.695 31 HA PRO 7 HA PRO 7 -1.857 -2.343 4.313 32 HB2 PRO 7 HB2 PRO 7 -4.226 -0.959 4.505 33 HB3 PRO 7 HB3 PRO 7 -4.086 -2.751 4.584 34 HG2 PRO 7 HG2 PRO 7 -4.109 -0.854 6.980 35 HG3 PRO 7 HG3 PRO 7 -5.272 -2.192 6.683 36 HD2 PRO 7 HD2 PRO 7 -3.130 -2.626 8.270 37 HD3 PRO 7 HD3 PRO 7 -3.485 -3.875 7.014 38 H GLU 8 H GLU 8 -1.398 -0.353 3.143 39 HA GLU 8 HA GLU 8 -0.186 1.762 4.818 40 HB2 GLU 8 HB2 GLU 8 -0.381 1.371 1.764 41 HB3 GLU 8 HB3 GLU 8 0.406 2.762 2.552 42 HG2 GLU 8 HG2 GLU 8 2.032 1.297 3.690 43 HG3 GLU 8 HG3 GLU 8 1.200 -0.159 3.098 44 H TYR 9 H TYR 9 -3.001 1.364 2.505 45 HA TYR 9 HA TYR 9 -4.218 3.783 3.771 46 HB2 TYR 9 HB2 TYR 9 -4.728 4.601 1.355 47 HB3 TYR 9 HB3 TYR 9 -3.030 4.714 1.857 48 HD1 TYR 9 HD1 TYR 9 -5.465 2.496 -0.002 49 HD2 TYR 9 HD2 TYR 9 -1.336 3.567 0.585 50 HE1 TYR 9 HE1 TYR 9 -4.811 0.955 -1.809 51 HE2 TYR 9 HE2 TYR 9 -0.686 2.051 -1.251 52 HH TYR 9 HH TYR 9 -3.006 0.067 -3.100 53 H PHE 10 H PHE 10 -6.590 4.029 2.822 54 HA PHE 10 HA PHE 10 -7.702 1.255 2.496 55 HB2 PHE 10 HB2 PHE 10 -8.774 3.522 4.272 56 HB3 PHE 10 HB3 PHE 10 -9.546 1.943 4.013 57 HD1 PHE 10 HD1 PHE 10 -6.535 3.673 5.448 58 HD2 PHE 10 HD2 PHE 10 -8.599 -0.087 5.095 59 HE1 PHE 10 HE1 PHE 10 -5.248 2.783 7.364 60 HE2 PHE 10 HE2 PHE 10 -7.407 -0.926 7.093 61 HZ PHE 10 HZ PHE 10 -5.760 0.525 8.263 62 H VAL 11 H VAL 11 -9.342 1.175 0.896 63 HA VAL 11 HA VAL 11 -10.149 3.736 -0.298 64 HB VAL 11 HB VAL 11 -10.561 0.973 -1.441 65 HG11 VAL 11 HG11 VAL 11 -10.655 2.463 -3.573 66 HG12 VAL 11 HG12 VAL 11 -12.072 2.341 -2.528 67 HG13 VAL 11 HG13 VAL 11 -11.021 3.755 -2.430 68 HG21 VAL 11 HG21 VAL 11 -8.192 1.340 -1.250 69 HG22 VAL 11 HG22 VAL 11 -8.659 1.537 -2.939 70 HG23 VAL 11 HG23 VAL 11 -8.344 2.956 -1.940 71 H ARG 12 H ARG 12 -12.429 3.839 -1.091 72 HA ARG 12 HA ARG 12 -14.209 3.214 1.070 73 HB2 ARG 12 HB2 ARG 12 -14.952 4.322 -1.637 74 HB3 ARG 12 HB3 ARG 12 -15.851 4.472 -0.133 75 HG2 ARG 12 HG2 ARG 12 -14.183 5.929 0.788 76 HG3 ARG 12 HG3 ARG 12 -13.134 5.673 -0.607 77 HD2 ARG 12 HD2 ARG 12 -14.238 7.795 -0.842 78 HD3 ARG 12 HD3 ARG 12 -14.882 6.680 -2.046 79 HE ARG 12 HE ARG 12 -16.930 6.790 -1.013 80 HH11 ARG 12 HH11 ARG 12 -14.504 8.186 1.058 81 HH12 ARG 12 HH12 ARG 12 -15.651 8.826 2.188 82 HH21 ARG 12 HH21 ARG 12 -18.449 7.629 0.467 83 HH22 ARG 12 HH22 ARG 12 -17.895 8.508 1.851 84 H GLY 13 H GLY 13 -13.039 0.948 -0.384 85 HA2 GLY 13 HA3 GLY 13 -15.430 -0.221 -1.641 86 HA3 GLY 13 HA2 GLY 13 -13.785 -0.804 -1.845 87 H ASP 14 H ASP 14 -13.304 -2.603 -0.792 88 HA ASP 14 HA ASP 14 -14.868 -3.268 1.617 89 HB2 ASP 14 HB2 ASP 14 -15.377 -4.796 -0.205 90 HB3 ASP 14 HB3 ASP 14 -13.663 -5.120 -0.449 91 H PHE 15 H PHE 15 -11.901 -4.629 0.217 92 HA PHE 15 HA PHE 15 -10.555 -4.084 2.781 93 HB2 PHE 15 HB2 PHE 15 -10.398 -6.449 0.929 94 HB3 PHE 15 HB3 PHE 15 -9.090 -6.090 2.052 95 HD1 PHE 15 HD1 PHE 15 -10.166 -5.427 4.514 96 HD2 PHE 15 HD2 PHE 15 -11.774 -8.125 1.642 97 HE1 PHE 15 HE1 PHE 15 -11.378 -6.604 6.303 98 HE2 PHE 15 HE2 PHE 15 -12.989 -9.305 3.426 99 HZ PHE 15 HZ PHE 15 -12.793 -8.545 5.760 100 HA PRO 16 HA PRO 16 -7.568 -1.860 0.331 101 HB2 PRO 16 HB2 PRO 16 -5.339 -1.843 1.956 102 HB3 PRO 16 HB3 PRO 16 -6.891 -1.134 2.501 103 HG2 PRO 16 HG2 PRO 16 -5.897 -3.964 3.094 104 HG3 PRO 16 HG3 PRO 16 -6.407 -2.724 4.298 105 HD2 PRO 16 HD2 PRO 16 -8.149 -4.601 3.492 106 HD3 PRO 16 HD3 PRO 16 -8.707 -2.893 3.677 107 H ILE 17 H ILE 17 -5.124 -2.131 -0.551 108 HA ILE 17 HA ILE 17 -5.069 -4.927 -1.657 109 HB ILE 17 HB ILE 17 -4.064 -2.324 -2.898 110 HG12 ILE 17 HG12 ILE 17 -6.494 -2.157 -2.716 111 HG13 ILE 17 HG13 ILE 17 -5.998 -2.396 -4.403 112 HG21 ILE 17 HG21 ILE 17 -4.312 -5.167 -4.052 113 HG22 ILE 17 HG22 ILE 17 -3.941 -3.700 -5.004 114 HG23 ILE 17 HG23 ILE 17 -2.816 -4.253 -3.741 115 HD11 ILE 17 HD11 ILE 17 -8.024 -3.706 -3.916 116 HD12 ILE 17 HD12 ILE 17 -6.689 -4.836 -4.245 117 HD13 ILE 17 HD13 ILE 17 -7.238 -4.550 -2.565 118 H SER 18 H SER 18 -2.709 -2.184 -0.919 119 HA SER 18 HA SER 18 -0.585 -4.302 -0.892 120 HB2 SER 18 HB2 SER 18 0.973 -2.559 -1.368 121 HB3 SER 18 HB3 SER 18 -0.419 -2.226 -2.425 122 HG SER 18 HG SER 18 -1.020 -0.589 -0.755 123 H PHE 19 H PHE 19 1.328 -3.627 0.791 124 HA PHE 19 HA PHE 19 0.086 -2.679 3.308 125 HB2 PHE 19 HB2 PHE 19 1.598 -5.311 3.165 126 HB3 PHE 19 HB3 PHE 19 0.520 -4.787 4.477 127 HD1 PHE 19 HD1 PHE 19 -2.005 -4.787 4.057 128 HD2 PHE 19 HD2 PHE 19 0.772 -6.439 1.211 129 HE1 PHE 19 HE1 PHE 19 -3.867 -5.923 2.884 130 HE2 PHE 19 HE2 PHE 19 -1.072 -7.654 0.112 131 HZ PHE 19 HZ PHE 19 -3.401 -7.396 0.939 132 H TYR 20 H TYR 20 1.975 -3.055 5.156 133 HA TYR 20 HA TYR 20 3.502 -0.753 4.364 134 HB2 TYR 20 HB2 TYR 20 2.653 -1.720 6.858 135 HB3 TYR 20 HB3 TYR 20 4.352 -2.187 6.895 136 HD1 TYR 20 HD1 TYR 20 1.961 0.608 6.089 137 HD2 TYR 20 HD2 TYR 20 5.831 -0.363 7.692 138 HE1 TYR 20 HE1 TYR 20 2.364 3.000 6.569 139 HE2 TYR 20 HE2 TYR 20 6.218 2.011 8.205 140 HH TYR 20 HH TYR 20 5.341 4.230 8.113 141 H GLY 21 H GLY 21 6.082 -0.795 5.200 142 HA2 GLY 21 HA3 GLY 21 8.177 -1.816 4.975 143 HA3 GLY 21 HA2 GLY 21 7.375 -3.330 4.511 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.169 -0.522 0.687 2 HA2 GLY 1 HA3 GLY 1 2.017 0.235 -1.451 3 HA3 GLY 1 HA2 GLY 1 3.398 1.019 -0.660 4 H GLY 2 H GLY 2 4.359 -0.891 1.150 5 HA2 GLY 2 HA3 GLY 2 5.714 -2.671 -0.695 6 HA3 GLY 2 HA2 GLY 2 5.867 -2.661 1.077 7 H ALA 3 H ALA 3 5.917 -5.113 0.738 8 HA ALA 3 HA ALA 3 3.109 -6.203 0.484 9 HB1 ALA 3 HB1 ALA 3 4.191 -8.314 -0.211 10 HB2 ALA 3 HB2 ALA 3 4.722 -6.980 -1.278 11 HB3 ALA 3 HB3 ALA 3 5.813 -7.587 0.003 12 H GLY 4 H GLY 4 3.956 -4.903 2.926 13 HA2 GLY 4 HA3 GLY 4 4.938 -7.020 4.710 14 HA3 GLY 4 HA2 GLY 4 4.468 -5.372 5.140 15 H HIS 5 H HIS 5 3.093 -5.976 6.857 16 HA HIS 5 HA HIS 5 0.952 -7.920 6.319 17 HB2 HIS 5 HB2 HIS 5 2.495 -7.241 8.814 18 HB3 HIS 5 HB3 HIS 5 0.971 -8.121 8.885 19 HD1 HIS 5 HD1 HIS 5 4.524 -8.634 8.542 20 HD2 HIS 5 HD2 HIS 5 1.096 -10.619 7.289 21 HE1 HIS 5 HE1 HIS 5 5.271 -10.963 7.960 22 H VAL 6 H VAL 6 1.491 -4.486 7.223 23 HA VAL 6 HA VAL 6 -1.259 -4.343 8.368 24 HB VAL 6 HB VAL 6 1.175 -2.501 8.631 25 HG11 VAL 6 HG11 VAL 6 -1.504 -2.369 10.136 26 HG12 VAL 6 HG12 VAL 6 -0.106 -1.286 10.342 27 HG13 VAL 6 HG13 VAL 6 -1.018 -1.260 8.813 28 HG21 VAL 6 HG21 VAL 6 1.515 -4.672 9.836 29 HG22 VAL 6 HG22 VAL 6 1.268 -3.340 10.993 30 HG23 VAL 6 HG23 VAL 6 -0.066 -4.478 10.646 31 HA PRO 7 HA PRO 7 -1.906 -2.409 4.359 32 HB2 PRO 7 HB2 PRO 7 -4.274 -1.047 4.657 33 HB3 PRO 7 HB3 PRO 7 -4.120 -2.839 4.695 34 HG2 PRO 7 HG2 PRO 7 -4.078 -0.994 7.131 35 HG3 PRO 7 HG3 PRO 7 -5.247 -2.329 6.839 36 HD2 PRO 7 HD2 PRO 7 -3.054 -2.793 8.349 37 HD3 PRO 7 HD3 PRO 7 -3.448 -4.014 7.077 38 H GLU 8 H GLU 8 -1.453 -0.400 3.233 39 HA GLU 8 HA GLU 8 -0.236 1.688 4.932 40 HB2 GLU 8 HB2 GLU 8 -0.492 1.365 1.871 41 HB3 GLU 8 HB3 GLU 8 0.291 2.753 2.670 42 HG2 GLU 8 HG2 GLU 8 1.954 1.290 3.749 43 HG3 GLU 8 HG3 GLU 8 1.131 -0.166 3.140 44 H TYR 9 H TYR 9 -3.116 1.304 2.705 45 HA TYR 9 HA TYR 9 -4.313 3.689 4.048 46 HB2 TYR 9 HB2 TYR 9 -4.886 4.559 1.662 47 HB3 TYR 9 HB3 TYR 9 -3.178 4.672 2.126 48 HD1 TYR 9 HD1 TYR 9 -5.642 2.468 0.284 49 HD2 TYR 9 HD2 TYR 9 -1.510 3.570 0.786 50 HE1 TYR 9 HE1 TYR 9 -5.018 0.969 -1.568 51 HE2 TYR 9 HE2 TYR 9 -0.893 2.099 -1.096 52 HH TYR 9 HH TYR 9 -3.248 0.267 -3.031 53 H PHE 10 H PHE 10 -6.711 3.938 3.144 54 HA PHE 10 HA PHE 10 -7.806 1.161 2.779 55 HB2 PHE 10 HB2 PHE 10 -8.861 3.378 4.627 56 HB3 PHE 10 HB3 PHE 10 -9.626 1.799 4.344 57 HD1 PHE 10 HD1 PHE 10 -6.598 3.516 5.760 58 HD2 PHE 10 HD2 PHE 10 -8.649 -0.247 5.363 59 HE1 PHE 10 HE1 PHE 10 -5.265 2.589 7.626 60 HE2 PHE 10 HE2 PHE 10 -7.409 -1.125 7.315 61 HZ PHE 10 HZ PHE 10 -5.744 0.307 8.481 62 H VAL 11 H VAL 11 -9.457 1.106 1.192 63 HA VAL 11 HA VAL 11 -10.320 3.687 0.082 64 HB VAL 11 HB VAL 11 -10.723 0.949 -1.123 65 HG11 VAL 11 HG11 VAL 11 -12.274 2.324 -2.141 66 HG12 VAL 11 HG12 VAL 11 -11.240 3.750 -2.029 67 HG13 VAL 11 HG13 VAL 11 -10.883 2.491 -3.213 68 HG21 VAL 11 HG21 VAL 11 -8.884 1.904 -2.718 69 HG22 VAL 11 HG22 VAL 11 -8.449 2.874 -1.310 70 HG23 VAL 11 HG23 VAL 11 -8.427 1.113 -1.209 71 H ARG 12 H ARG 12 -12.616 3.784 -0.657 72 HA ARG 12 HA ARG 12 -14.342 3.078 1.524 73 HB2 ARG 12 HB2 ARG 12 -14.851 4.450 -1.117 74 HB3 ARG 12 HB3 ARG 12 -16.103 4.177 0.088 75 HG2 ARG 12 HG2 ARG 12 -14.993 5.584 1.664 76 HG3 ARG 12 HG3 ARG 12 -13.574 5.715 0.623 77 HD2 ARG 12 HD2 ARG 12 -16.277 6.598 -0.325 78 HD3 ARG 12 HD3 ARG 12 -15.272 7.657 0.662 79 HE ARG 12 HE ARG 12 -13.597 6.908 -1.317 80 HH11 ARG 12 HH11 ARG 12 -16.818 8.229 -1.300 81 HH12 ARG 12 HH12 ARG 12 -16.629 9.050 -2.813 82 HH21 ARG 12 HH21 ARG 12 -13.336 7.985 -3.310 83 HH22 ARG 12 HH22 ARG 12 -14.649 8.911 -3.956 84 H GLY 13 H GLY 13 -13.179 0.870 -0.024 85 HA2 GLY 13 HA3 GLY 13 -15.586 -0.290 -1.260 86 HA3 GLY 13 HA2 GLY 13 -13.940 -0.847 -1.518 87 H ASP 14 H ASP 14 -13.413 -2.670 -0.529 88 HA ASP 14 HA ASP 14 -14.917 -3.425 1.891 89 HB2 ASP 14 HB2 ASP 14 -15.444 -4.908 0.040 90 HB3 ASP 14 HB3 ASP 14 -13.732 -5.197 -0.255 91 H PHE 15 H PHE 15 -11.963 -4.707 0.395 92 HA PHE 15 HA PHE 15 -10.571 -4.215 2.946 93 HB2 PHE 15 HB2 PHE 15 -10.423 -6.526 1.027 94 HB3 PHE 15 HB3 PHE 15 -9.097 -6.181 2.132 95 HD1 PHE 15 HD2 PHE 15 -10.265 -5.504 4.613 96 HD2 PHE 15 HD1 PHE 15 -11.630 -8.333 1.741 97 HE1 PHE 15 HE2 PHE 15 -11.426 -6.745 6.392 98 HE2 PHE 15 HE1 PHE 15 -12.794 -9.578 3.516 99 HZ PHE 15 HZ PHE 15 -12.692 -8.785 5.845 100 HA PRO 16 HA PRO 16 -7.687 -1.842 0.562 101 HB2 PRO 16 HB2 PRO 16 -5.404 -1.895 2.113 102 HB3 PRO 16 HB3 PRO 16 -6.942 -1.213 2.729 103 HG2 PRO 16 HG2 PRO 16 -5.929 -4.062 3.177 104 HG3 PRO 16 HG3 PRO 16 -6.425 -2.879 4.443 105 HD2 PRO 16 HD2 PRO 16 -8.178 -4.721 3.608 106 HD3 PRO 16 HD3 PRO 16 -8.732 -3.020 3.846 107 H ILE 17 H ILE 17 -5.327 -1.996 -0.494 108 HA ILE 17 HA ILE 17 -5.281 -4.719 -1.744 109 HB ILE 17 HB ILE 17 -4.319 -2.026 -2.821 110 HG12 ILE 17 HG12 ILE 17 -6.004 -2.442 -4.610 111 HG13 ILE 17 HG13 ILE 17 -6.608 -3.874 -3.742 112 HG21 ILE 17 HG21 ILE 17 -4.159 -4.836 -4.067 113 HG22 ILE 17 HG22 ILE 17 -3.770 -3.310 -4.909 114 HG23 ILE 17 HG23 ILE 17 -2.764 -3.844 -3.552 115 HD11 ILE 17 HD11 ILE 17 -7.506 -2.430 -1.937 116 HD12 ILE 17 HD12 ILE 17 -6.640 -0.999 -2.583 117 HD13 ILE 17 HD13 ILE 17 -7.997 -1.726 -3.485 118 H SER 18 H SER 18 -2.841 -2.069 -0.932 119 HA SER 18 HA SER 18 -0.784 -4.241 -0.953 120 HB2 SER 18 HB2 SER 18 0.814 -2.523 -1.408 121 HB3 SER 18 HB3 SER 18 -0.596 -2.107 -2.409 122 HG SER 18 HG SER 18 -1.102 -0.528 -0.650 123 H PHE 19 H PHE 19 1.200 -3.610 0.703 124 HA PHE 19 HA PHE 19 -0.009 -2.840 3.305 125 HB2 PHE 19 HB2 PHE 19 1.613 -5.386 2.895 126 HB3 PHE 19 HB3 PHE 19 0.644 -4.974 4.333 127 HD1 PHE 19 HD2 PHE 19 -1.918 -4.896 4.090 128 HD2 PHE 19 HD1 PHE 19 0.631 -6.496 1.007 129 HE1 PHE 19 HE2 PHE 19 -3.878 -5.962 3.011 130 HE2 PHE 19 HE1 PHE 19 -1.309 -7.633 -0.010 131 HZ PHE 19 HZ PHE 19 -3.573 -7.361 0.980 132 H TYR 20 H TYR 20 1.928 -3.126 5.083 133 HA TYR 20 HA TYR 20 3.354 -0.755 4.323 134 HB2 TYR 20 HB2 TYR 20 2.556 -1.660 6.754 135 HB3 TYR 20 HB3 TYR 20 4.185 -2.348 6.788 136 HD1 TYR 20 HD1 TYR 20 2.141 0.749 6.157 137 HD2 TYR 20 HD2 TYR 20 5.927 -0.742 7.547 138 HE1 TYR 20 HE1 TYR 20 2.832 3.046 6.700 139 HE2 TYR 20 HE2 TYR 20 6.599 1.560 8.150 140 HH TYR 20 HH TYR 20 4.560 4.435 7.595 141 H GLY 21 H GLY 21 5.930 -0.653 4.887 142 HA2 GLY 21 HA3 GLY 21 8.016 -1.880 4.777 143 HA3 GLY 21 HA2 GLY 21 7.253 -3.100 3.740 Start of MODEL 3 1 H1 GLY 1 H GLY 1 1.692 -0.940 0.912 2 HA2 GLY 1 HA3 GLY 1 2.165 0.010 -1.426 3 HA3 GLY 1 HA2 GLY 1 3.634 0.708 -0.697 4 H GLY 2 H GLY 2 4.531 -1.249 1.088 5 HA2 GLY 2 HA3 GLY 2 5.716 -3.108 -0.845 6 HA3 GLY 2 HA2 GLY 2 6.051 -3.011 0.896 7 H ALA 3 H ALA 3 5.989 -5.447 0.814 8 HA ALA 3 HA ALA 3 3.176 -6.520 0.660 9 HB1 ALA 3 HB1 ALA 3 5.875 -7.969 0.413 10 HB2 ALA 3 HB2 ALA 3 4.249 -8.694 0.223 11 HB3 ALA 3 HB3 ALA 3 4.834 -7.483 -0.958 12 H GLY 4 H GLY 4 3.954 -4.992 3.005 13 HA2 GLY 4 HA3 GLY 4 4.890 -6.907 5.009 14 HA3 GLY 4 HA2 GLY 4 4.329 -5.253 5.281 15 H HIS 5 H HIS 5 3.017 -5.885 7.048 16 HA HIS 5 HA HIS 5 0.861 -7.820 6.540 17 HB2 HIS 5 HB2 HIS 5 2.365 -7.067 9.037 18 HB3 HIS 5 HB3 HIS 5 0.827 -7.921 9.113 19 HD1 HIS 5 HD1 HIS 5 1.132 -10.353 9.334 20 HD2 HIS 5 HD2 HIS 5 4.203 -8.619 7.138 21 HE1 HIS 5 HE1 HIS 5 2.679 -12.242 8.734 22 H VAL 6 H VAL 6 1.430 -4.360 7.321 23 HA VAL 6 HA VAL 6 -1.330 -4.142 8.426 24 HB VAL 6 HB VAL 6 1.113 -2.311 8.645 25 HG11 VAL 6 HG11 VAL 6 -0.190 -1.023 10.290 26 HG12 VAL 6 HG12 VAL 6 -1.074 -1.049 8.744 27 HG13 VAL 6 HG13 VAL 6 -1.592 -2.104 10.097 28 HG21 VAL 6 HG21 VAL 6 -0.171 -4.196 10.721 29 HG22 VAL 6 HG22 VAL 6 1.418 -4.436 9.942 30 HG23 VAL 6 HG23 VAL 6 1.167 -3.056 11.040 31 HA PRO 7 HA PRO 7 -1.889 -2.378 4.326 32 HB2 PRO 7 HB2 PRO 7 -4.268 -1.017 4.516 33 HB3 PRO 7 HB3 PRO 7 -4.111 -2.806 4.624 34 HG2 PRO 7 HG2 PRO 7 -4.139 -0.873 6.989 35 HG3 PRO 7 HG3 PRO 7 -5.288 -2.229 6.718 36 HD2 PRO 7 HD2 PRO 7 -3.126 -2.607 8.298 37 HD3 PRO 7 HD3 PRO 7 -3.485 -3.885 7.071 38 H GLU 8 H GLU 8 -1.368 -0.415 3.149 39 HA GLU 8 HA GLU 8 -0.184 1.726 4.794 40 HB2 GLU 8 HB2 GLU 8 -0.457 1.329 1.751 41 HB3 GLU 8 HB3 GLU 8 0.296 2.761 2.502 42 HG2 GLU 8 HG2 GLU 8 2.046 1.404 3.548 43 HG3 GLU 8 HG3 GLU 8 1.232 -0.105 3.080 44 H TYR 9 H TYR 9 -2.995 1.319 2.472 45 HA TYR 9 HA TYR 9 -4.218 3.767 3.694 46 HB2 TYR 9 HB2 TYR 9 -4.713 4.514 1.258 47 HB3 TYR 9 HB3 TYR 9 -3.012 4.613 1.751 48 HD1 TYR 9 HD1 TYR 9 -5.482 2.344 -0.007 49 HD2 TYR 9 HD2 TYR 9 -1.345 3.437 0.478 50 HE1 TYR 9 HE1 TYR 9 -4.859 0.788 -1.813 51 HE2 TYR 9 HE2 TYR 9 -0.727 1.895 -1.347 52 HH TYR 9 HH TYR 9 -3.096 0.127 -3.316 53 H PHE 10 H PHE 10 -6.580 4.001 2.727 54 HA PHE 10 HA PHE 10 -7.719 1.232 2.465 55 HB2 PHE 10 HB2 PHE 10 -8.770 3.538 4.205 56 HB3 PHE 10 HB3 PHE 10 -9.545 1.954 3.980 57 HD1 PHE 10 HD1 PHE 10 -6.535 3.714 5.373 58 HD2 PHE 10 HD2 PHE 10 -8.583 -0.061 5.085 59 HE1 PHE 10 HE1 PHE 10 -5.231 2.857 7.292 60 HE2 PHE 10 HE2 PHE 10 -7.371 -0.867 7.086 61 HZ PHE 10 HZ PHE 10 -5.725 0.609 8.225 62 H VAL 11 H VAL 11 -9.316 1.147 0.827 63 HA VAL 11 HA VAL 11 -10.118 3.701 -0.385 64 HB VAL 11 HB VAL 11 -10.530 0.931 -1.510 65 HG11 VAL 11 HG11 VAL 11 -12.039 2.293 -2.607 66 HG12 VAL 11 HG12 VAL 11 -10.987 3.707 -2.520 67 HG13 VAL 11 HG13 VAL 11 -10.624 2.404 -3.652 68 HG21 VAL 11 HG21 VAL 11 -8.638 1.984 -3.093 69 HG22 VAL 11 HG22 VAL 11 -8.189 2.734 -1.561 70 HG23 VAL 11 HG23 VAL 11 -8.274 0.977 -1.691 71 H ARG 12 H ARG 12 -12.396 3.805 -1.180 72 HA ARG 12 HA ARG 12 -14.181 3.192 0.981 73 HB2 ARG 12 HB2 ARG 12 -14.621 4.475 -1.718 74 HB3 ARG 12 HB3 ARG 12 -15.892 4.272 -0.519 75 HG2 ARG 12 HG2 ARG 12 -14.763 5.714 1.019 76 HG3 ARG 12 HG3 ARG 12 -13.343 5.792 -0.026 77 HD2 ARG 12 HD2 ARG 12 -14.453 7.790 -0.467 78 HD3 ARG 12 HD3 ARG 12 -14.954 6.739 -1.791 79 HE ARG 12 HE ARG 12 -17.102 6.813 -0.996 80 HH11 ARG 12 HH11 ARG 12 -14.928 8.013 1.445 81 HH12 ARG 12 HH12 ARG 12 -16.197 8.568 2.486 82 HH21 ARG 12 HH21 ARG 12 -18.780 7.541 0.366 83 HH22 ARG 12 HH22 ARG 12 -18.387 8.298 1.872 84 H GLY 13 H GLY 13 -13.017 0.915 -0.449 85 HA2 GLY 13 HA3 GLY 13 -15.406 -0.252 -1.714 86 HA3 GLY 13 HA2 GLY 13 -13.762 -0.842 -1.907 87 H ASP 14 H ASP 14 -13.288 -2.633 -0.837 88 HA ASP 14 HA ASP 14 -14.868 -3.281 1.565 89 HB2 ASP 14 HB2 ASP 14 -15.367 -4.816 -0.256 90 HB3 ASP 14 HB3 ASP 14 -13.652 -5.151 -0.478 91 H PHE 15 H PHE 15 -11.889 -4.636 0.181 92 HA PHE 15 HA PHE 15 -10.555 -4.080 2.749 93 HB2 PHE 15 HB2 PHE 15 -10.405 -6.469 0.930 94 HB3 PHE 15 HB3 PHE 15 -9.098 -6.103 2.051 95 HD1 PHE 15 HD1 PHE 15 -10.271 -5.329 4.483 96 HD2 PHE 15 HD2 PHE 15 -11.697 -8.199 1.682 97 HE1 PHE 15 HE1 PHE 15 -11.493 -6.474 6.285 98 HE2 PHE 15 HE2 PHE 15 -12.922 -9.349 3.479 99 HZ PHE 15 HZ PHE 15 -12.822 -8.487 5.784 100 HA PRO 16 HA PRO 16 -7.588 -1.847 0.340 101 HB2 PRO 16 HB2 PRO 16 -5.348 -1.843 1.952 102 HB3 PRO 16 HB3 PRO 16 -6.900 -1.139 2.504 103 HG2 PRO 16 HG2 PRO 16 -5.907 -3.971 3.077 104 HG3 PRO 16 HG3 PRO 16 -6.421 -2.740 4.289 105 HD2 PRO 16 HD2 PRO 16 -8.167 -4.604 3.481 106 HD3 PRO 16 HD3 PRO 16 -8.717 -2.893 3.649 107 H ILE 17 H ILE 17 -5.209 -2.042 -0.637 108 HA ILE 17 HA ILE 17 -5.122 -4.809 -1.788 109 HB ILE 17 HB ILE 17 -4.171 -2.132 -2.911 110 HG12 ILE 17 HG12 ILE 17 -5.767 -2.623 -4.747 111 HG13 ILE 17 HG13 ILE 17 -6.332 -4.090 -3.910 112 HG21 ILE 17 HG21 ILE 17 -2.519 -3.898 -3.533 113 HG22 ILE 17 HG22 ILE 17 -3.850 -4.968 -4.059 114 HG23 ILE 17 HG23 ILE 17 -3.497 -3.457 -4.943 115 HD11 ILE 17 HD11 ILE 17 -7.846 -2.028 -3.709 116 HD12 ILE 17 HD12 ILE 17 -7.384 -2.714 -2.143 117 HD13 ILE 17 HD13 ILE 17 -6.572 -1.232 -2.745 118 H SER 18 H SER 18 -2.693 -2.125 -1.002 119 HA SER 18 HA SER 18 -0.643 -4.303 -0.893 120 HB2 SER 18 HB2 SER 18 0.932 -2.353 -1.177 121 HB3 SER 18 HB3 SER 18 -0.302 -2.423 -2.457 122 HG SER 18 HG SER 18 -0.512 -0.682 -0.183 123 H PHE 19 H PHE 19 1.268 -3.711 0.788 124 HA PHE 19 HA PHE 19 0.050 -2.735 3.311 125 HB2 PHE 19 HB2 PHE 19 1.593 -5.349 3.163 126 HB3 PHE 19 HB3 PHE 19 0.521 -4.829 4.481 127 HD1 PHE 19 HD1 PHE 19 -2.012 -4.829 4.063 128 HD2 PHE 19 HD2 PHE 19 0.759 -6.498 1.223 129 HE1 PHE 19 HE1 PHE 19 -3.875 -5.978 2.905 130 HE2 PHE 19 HE2 PHE 19 -1.086 -7.720 0.136 131 HZ PHE 19 HZ PHE 19 -3.412 -7.463 0.970 132 H TYR 20 H TYR 20 1.915 -3.008 5.150 133 HA TYR 20 HA TYR 20 3.448 -0.738 4.290 134 HB2 TYR 20 HB2 TYR 20 2.542 -1.513 6.764 135 HB3 TYR 20 HB3 TYR 20 4.175 -2.180 6.879 136 HD1 TYR 20 HD1 TYR 20 2.147 0.852 5.956 137 HD2 TYR 20 HD2 TYR 20 5.846 -0.518 7.666 138 HE1 TYR 20 HE1 TYR 20 2.796 3.186 6.391 139 HE2 TYR 20 HE2 TYR 20 6.481 1.823 8.143 140 HH TYR 20 HH TYR 20 4.464 4.643 7.296 141 H GLY 21 H GLY 21 6.038 -0.749 5.090 142 HA2 GLY 21 HA3 GLY 21 8.122 -1.799 4.918 143 HA3 GLY 21 HA2 GLY 21 7.318 -3.320 4.486 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.733 -0.880 0.953 2 HA2 GLY 1 HA3 GLY 1 2.304 0.140 -1.318 3 HA3 GLY 1 HA2 GLY 1 3.774 0.774 -0.530 4 H GLY 2 H GLY 2 4.640 -1.233 1.165 5 HA2 GLY 2 HA3 GLY 2 5.788 -3.064 -0.799 6 HA3 GLY 2 HA2 GLY 2 6.079 -3.057 0.955 7 H ALA 3 H ALA 3 5.943 -5.493 0.710 8 HA ALA 3 HA ALA 3 3.076 -6.436 0.569 9 HB1 ALA 3 HB1 ALA 3 4.636 -7.415 -1.136 10 HB2 ALA 3 HB2 ALA 3 5.697 -7.993 0.183 11 HB3 ALA 3 HB3 ALA 3 4.037 -8.644 0.019 12 H GLY 4 H GLY 4 3.939 -5.028 2.919 13 HA2 GLY 4 HA3 GLY 4 4.886 -7.009 4.851 14 HA3 GLY 4 HA2 GLY 4 4.359 -5.349 5.172 15 H HIS 5 H HIS 5 3.038 -5.985 6.934 16 HA HIS 5 HA HIS 5 0.862 -7.893 6.409 17 HB2 HIS 5 HB2 HIS 5 2.395 -7.203 8.906 18 HB3 HIS 5 HB3 HIS 5 0.848 -8.042 8.980 19 HD1 HIS 5 HD1 HIS 5 3.711 -9.212 9.802 20 HD2 HIS 5 HD2 HIS 5 1.604 -10.014 6.312 21 HE1 HIS 5 HE1 HIS 5 4.575 -11.429 8.989 22 H VAL 6 H VAL 6 1.476 -4.456 7.282 23 HA VAL 6 HA VAL 6 -1.279 -4.240 8.400 24 HB VAL 6 HB VAL 6 1.173 -2.418 8.626 25 HG11 VAL 6 HG11 VAL 6 -1.514 -2.229 10.113 26 HG12 VAL 6 HG12 VAL 6 -0.105 -1.154 10.303 27 HG13 VAL 6 HG13 VAL 6 -1.009 -1.154 8.767 28 HG21 VAL 6 HG21 VAL 6 1.486 -4.567 9.884 29 HG22 VAL 6 HG22 VAL 6 1.249 -3.203 11.006 30 HG23 VAL 6 HG23 VAL 6 -0.095 -4.337 10.683 31 HA PRO 7 HA PRO 7 -1.864 -2.391 4.334 32 HB2 PRO 7 HB2 PRO 7 -4.235 -1.026 4.577 33 HB3 PRO 7 HB3 PRO 7 -4.087 -2.817 4.658 34 HG2 PRO 7 HG2 PRO 7 -4.071 -0.916 7.051 35 HG3 PRO 7 HG3 PRO 7 -5.238 -2.254 6.775 36 HD2 PRO 7 HD2 PRO 7 -3.061 -2.681 8.320 37 HD3 PRO 7 HD3 PRO 7 -3.449 -3.935 7.079 38 H GLU 8 H GLU 8 -1.315 -0.412 3.207 39 HA GLU 8 HA GLU 8 -0.152 1.702 4.902 40 HB2 GLU 8 HB2 GLU 8 -0.393 1.366 1.849 41 HB3 GLU 8 HB3 GLU 8 0.367 2.770 2.642 42 HG2 GLU 8 HG2 GLU 8 2.078 1.352 3.695 43 HG3 GLU 8 HG3 GLU 8 1.256 -0.129 3.153 44 H TYR 9 H TYR 9 -2.994 1.295 2.619 45 HA TYR 9 HA TYR 9 -4.206 3.720 3.888 46 HB2 TYR 9 HB2 TYR 9 -4.742 4.521 1.484 47 HB3 TYR 9 HB3 TYR 9 -3.028 4.598 1.933 48 HD1 TYR 9 HD2 TYR 9 -5.566 2.388 0.193 49 HD2 TYR 9 HD1 TYR 9 -1.404 3.418 0.607 50 HE1 TYR 9 HE2 TYR 9 -5.002 0.861 -1.659 51 HE2 TYR 9 HE1 TYR 9 -0.854 1.940 -1.290 52 HH TYR 9 HH TYR 9 -3.274 0.326 -3.284 53 H PHE 10 H PHE 10 -6.586 3.959 2.952 54 HA PHE 10 HA PHE 10 -7.710 1.188 2.636 55 HB2 PHE 10 HB2 PHE 10 -8.761 3.452 4.430 56 HB3 PHE 10 HB3 PHE 10 -9.546 1.878 4.162 57 HD1 PHE 10 HD1 PHE 10 -6.513 3.574 5.595 58 HD2 PHE 10 HD2 PHE 10 -8.614 -0.166 5.226 59 HE1 PHE 10 HE1 PHE 10 -5.224 2.659 7.498 60 HE2 PHE 10 HE2 PHE 10 -7.413 -1.032 7.209 61 HZ PHE 10 HZ PHE 10 -5.749 0.397 8.381 62 H VAL 11 H VAL 11 -9.337 1.124 1.026 63 HA VAL 11 HA VAL 11 -10.147 3.695 -0.146 64 HB VAL 11 HB VAL 11 -10.564 0.940 -1.308 65 HG11 VAL 11 HG11 VAL 11 -10.669 2.446 -3.428 66 HG12 VAL 11 HG12 VAL 11 -12.081 2.317 -2.377 67 HG13 VAL 11 HG13 VAL 11 -11.030 3.729 -2.274 68 HG21 VAL 11 HG21 VAL 11 -8.671 1.513 -2.809 69 HG22 VAL 11 HG22 VAL 11 -8.351 2.928 -1.806 70 HG23 VAL 11 HG23 VAL 11 -8.193 1.310 -1.123 71 H ARG 12 H ARG 12 -12.429 3.809 -0.926 72 HA ARG 12 HA ARG 12 -14.201 3.162 1.237 73 HB2 ARG 12 HB2 ARG 12 -14.718 4.449 -1.450 74 HB3 ARG 12 HB3 ARG 12 -15.913 4.301 -0.168 75 HG2 ARG 12 HG2 ARG 12 -14.680 5.754 1.257 76 HG3 ARG 12 HG3 ARG 12 -13.296 5.744 0.163 77 HD2 ARG 12 HD2 ARG 12 -14.267 7.739 -0.409 78 HD3 ARG 12 HD3 ARG 12 -15.054 6.657 -1.557 79 HE ARG 12 HE ARG 12 -16.529 6.918 0.874 80 HH11 ARG 12 HH11 ARG 12 -15.851 8.438 -2.184 81 HH12 ARG 12 HH12 ARG 12 -17.354 9.298 -2.237 82 HH21 ARG 12 HH21 ARG 12 -18.511 8.045 0.815 83 HH22 ARG 12 HH22 ARG 12 -18.866 9.074 -0.531 84 H GLY 13 H GLY 13 -13.042 0.915 -0.258 85 HA2 GLY 13 HA3 GLY 13 -15.444 -0.233 -1.513 86 HA3 GLY 13 HA2 GLY 13 -13.801 -0.814 -1.740 87 H ASP 14 H ASP 14 -13.306 -2.624 -0.712 88 HA ASP 14 HA ASP 14 -14.856 -3.328 1.694 89 HB2 ASP 14 HB2 ASP 14 -15.372 -4.834 -0.139 90 HB3 ASP 14 HB3 ASP 14 -13.659 -5.142 -0.410 91 H PHE 15 H PHE 15 -11.887 -4.648 0.257 92 HA PHE 15 HA PHE 15 -10.531 -4.136 2.822 93 HB2 PHE 15 HB2 PHE 15 -10.380 -6.480 0.946 94 HB3 PHE 15 HB3 PHE 15 -9.066 -6.131 2.064 95 HD1 PHE 15 HD1 PHE 15 -10.235 -5.417 4.521 96 HD2 PHE 15 HD2 PHE 15 -11.643 -8.244 1.668 97 HE1 PHE 15 HE1 PHE 15 -11.434 -6.614 6.305 98 HE2 PHE 15 HE2 PHE 15 -12.846 -9.445 3.447 99 HZ PHE 15 HZ PHE 15 -12.743 -8.631 5.768 100 HA PRO 16 HA PRO 16 -7.614 -1.810 0.457 101 HB2 PRO 16 HB2 PRO 16 -5.351 -1.842 2.040 102 HB3 PRO 16 HB3 PRO 16 -6.901 -1.164 2.631 103 HG2 PRO 16 HG2 PRO 16 -5.883 -4.004 3.109 104 HG3 PRO 16 HG3 PRO 16 -6.396 -2.813 4.362 105 HD2 PRO 16 HD2 PRO 16 -8.135 -4.664 3.521 106 HD3 PRO 16 HD3 PRO 16 -8.695 -2.960 3.737 107 H ILE 17 H ILE 17 -5.266 -1.936 -0.569 108 HA ILE 17 HA ILE 17 -5.164 -4.658 -1.822 109 HB ILE 17 HB ILE 17 -4.294 -1.922 -2.855 110 HG12 ILE 17 HG12 ILE 17 -5.903 -2.382 -4.682 111 HG13 ILE 17 HG13 ILE 17 -6.399 -3.909 -3.913 112 HG21 ILE 17 HG21 ILE 17 -3.613 -3.148 -4.950 113 HG22 ILE 17 HG22 ILE 17 -2.595 -3.600 -3.573 114 HG23 ILE 17 HG23 ILE 17 -3.894 -4.701 -4.114 115 HD11 ILE 17 HD11 ILE 17 -7.471 -2.669 -2.062 116 HD12 ILE 17 HD12 ILE 17 -6.734 -1.125 -2.602 117 HD13 ILE 17 HD13 ILE 17 -7.991 -1.927 -3.584 118 H SER 18 H SER 18 -2.747 -1.973 -0.991 119 HA SER 18 HA SER 18 -0.669 -4.121 -1.023 120 HB2 SER 18 HB2 SER 18 0.884 -2.151 -1.171 121 HB3 SER 18 HB3 SER 18 -0.368 -2.116 -2.438 122 HG SER 18 HG SER 18 -0.538 -0.576 -0.018 123 H PHE 19 H PHE 19 1.239 -3.655 0.681 124 HA PHE 19 HA PHE 19 0.035 -2.898 3.294 125 HB2 PHE 19 HB2 PHE 19 1.585 -5.485 2.807 126 HB3 PHE 19 HB3 PHE 19 0.686 -5.055 4.288 127 HD1 PHE 19 HD1 PHE 19 -1.868 -4.909 4.168 128 HD2 PHE 19 HD2 PHE 19 0.479 -6.471 0.908 129 HE1 PHE 19 HE1 PHE 19 -3.910 -5.881 3.153 130 HE2 PHE 19 HE2 PHE 19 -1.544 -7.520 -0.045 131 HZ PHE 19 HZ PHE 19 -3.751 -7.203 1.054 132 H TYR 20 H TYR 20 1.947 -3.194 5.073 133 HA TYR 20 HA TYR 20 3.422 -0.869 4.301 134 HB2 TYR 20 HB2 TYR 20 2.695 -1.863 6.775 135 HB3 TYR 20 HB3 TYR 20 4.378 -2.402 6.740 136 HD1 TYR 20 HD2 TYR 20 2.076 0.512 6.088 137 HD2 TYR 20 HD1 TYR 20 5.962 -0.658 7.513 138 HE1 TYR 20 HE2 TYR 20 2.589 2.866 6.592 139 HE2 TYR 20 HE1 TYR 20 6.460 1.700 8.063 140 HH TYR 20 HH TYR 20 4.209 4.400 7.450 141 H GLY 21 H GLY 21 6.003 -0.808 4.893 142 HA2 GLY 21 HA3 GLY 21 8.109 -1.932 4.624 143 HA3 GLY 21 HA2 GLY 21 7.314 -3.231 3.713 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.179 -0.374 0.712 2 HA2 GLY 1 HA3 GLY 1 1.916 0.508 -1.443 3 HA3 GLY 1 HA2 GLY 1 3.345 1.226 -0.672 4 H GLY 2 H GLY 2 4.283 -0.803 1.041 5 HA2 GLY 2 HA3 GLY 2 5.525 -2.544 -0.953 6 HA3 GLY 2 HA2 GLY 2 5.808 -2.543 0.801 7 H ALA 3 H ALA 3 5.732 -4.965 0.720 8 HA ALA 3 HA ALA 3 2.900 -6.003 0.490 9 HB1 ALA 3 HB1 ALA 3 3.900 -8.123 -0.291 10 HB2 ALA 3 HB2 ALA 3 4.404 -6.781 -1.362 11 HB3 ALA 3 HB3 ALA 3 5.544 -7.428 -0.144 12 H GLY 4 H GLY 4 3.880 -4.764 2.911 13 HA2 GLY 4 HA3 GLY 4 4.874 -6.933 4.619 14 HA3 GLY 4 HA2 GLY 4 4.437 -5.291 5.104 15 H HIS 5 H HIS 5 3.060 -5.877 6.827 16 HA HIS 5 HA HIS 5 0.905 -7.808 6.300 17 HB2 HIS 5 HB2 HIS 5 2.461 -7.134 8.788 18 HB3 HIS 5 HB3 HIS 5 0.931 -8.001 8.868 19 HD1 HIS 5 HD1 HIS 5 1.449 -10.382 9.255 20 HD2 HIS 5 HD2 HIS 5 4.072 -8.659 6.532 21 HE1 HIS 5 HE1 HIS 5 2.945 -12.252 8.487 22 H VAL 6 H VAL 6 1.476 -4.378 7.191 23 HA VAL 6 HA VAL 6 -1.260 -4.204 8.354 24 HB VAL 6 HB VAL 6 1.191 -2.376 8.578 25 HG11 VAL 6 HG11 VAL 6 -1.477 -2.211 10.099 26 HG12 VAL 6 HG12 VAL 6 -0.069 -1.138 10.290 27 HG13 VAL 6 HG13 VAL 6 -0.989 -1.117 8.765 28 HG21 VAL 6 HG21 VAL 6 1.300 -3.193 10.946 29 HG22 VAL 6 HG22 VAL 6 -0.046 -4.323 10.624 30 HG23 VAL 6 HG23 VAL 6 1.525 -4.539 9.802 31 HA PRO 7 HA PRO 7 -1.867 -2.272 4.328 32 HB2 PRO 7 HB2 PRO 7 -4.266 -0.974 4.586 33 HB3 PRO 7 HB3 PRO 7 -4.072 -2.762 4.649 34 HG2 PRO 7 HG2 PRO 7 -4.123 -0.882 7.063 35 HG3 PRO 7 HG3 PRO 7 -5.243 -2.258 6.767 36 HD2 PRO 7 HD2 PRO 7 -3.049 -2.628 8.316 37 HD3 PRO 7 HD3 PRO 7 -3.425 -3.886 7.076 38 H GLU 8 H GLU 8 -1.445 -0.251 3.221 39 HA GLU 8 HA GLU 8 -0.272 1.840 4.942 40 HB2 GLU 8 HB2 GLU 8 -0.527 1.550 1.880 41 HB3 GLU 8 HB3 GLU 8 0.250 2.930 2.697 42 HG2 GLU 8 HG2 GLU 8 1.929 1.459 3.750 43 HG3 GLU 8 HG3 GLU 8 1.113 0.005 3.126 44 H TYR 9 H TYR 9 -3.165 1.416 2.745 45 HA TYR 9 HA TYR 9 -4.398 3.765 4.119 46 HB2 TYR 9 HB2 TYR 9 -4.999 4.678 1.782 47 HB3 TYR 9 HB3 TYR 9 -3.265 4.735 2.153 48 HD1 TYR 9 HD1 TYR 9 -5.903 2.640 0.424 49 HD2 TYR 9 HD2 TYR 9 -1.713 3.591 0.698 50 HE1 TYR 9 HE1 TYR 9 -5.423 1.098 -1.447 51 HE2 TYR 9 HE2 TYR 9 -1.254 2.144 -1.233 52 HH TYR 9 HH TYR 9 -2.168 0.613 -2.826 53 H PHE 10 H PHE 10 -6.831 3.950 3.216 54 HA PHE 10 HA PHE 10 -7.798 1.159 2.698 55 HB2 PHE 10 HB2 PHE 10 -8.963 3.237 4.628 56 HB3 PHE 10 HB3 PHE 10 -9.790 1.743 4.135 57 HD1 PHE 10 HD1 PHE 10 -6.830 3.089 5.994 58 HD2 PHE 10 HD2 PHE 10 -8.947 -0.479 4.855 59 HE1 PHE 10 HE1 PHE 10 -5.760 1.855 7.857 60 HE2 PHE 10 HE2 PHE 10 -7.896 -1.703 6.732 61 HZ PHE 10 HZ PHE 10 -6.389 -0.505 8.306 62 H VAL 11 H VAL 11 -9.545 1.014 1.281 63 HA VAL 11 HA VAL 11 -10.335 3.493 -0.086 64 HB VAL 11 HB VAL 11 -10.746 0.662 -1.048 65 HG11 VAL 11 HG11 VAL 11 -10.816 2.010 -3.274 66 HG12 VAL 11 HG12 VAL 11 -12.242 1.959 -2.236 67 HG13 VAL 11 HG13 VAL 11 -11.189 3.374 -2.221 68 HG21 VAL 11 HG21 VAL 11 -8.821 1.840 -2.648 69 HG22 VAL 11 HG22 VAL 11 -8.358 2.311 -1.013 70 HG23 VAL 11 HG23 VAL 11 -8.546 0.606 -1.419 71 H ARG 12 H ARG 12 -12.608 3.547 -0.903 72 HA ARG 12 HA ARG 12 -14.407 3.064 1.280 73 HB2 ARG 12 HB2 ARG 12 -14.869 4.165 -1.496 74 HB3 ARG 12 HB3 ARG 12 -16.102 4.088 -0.245 75 HG2 ARG 12 HG2 ARG 12 -14.781 5.570 1.166 76 HG3 ARG 12 HG3 ARG 12 -13.524 5.633 -0.071 77 HD2 ARG 12 HD2 ARG 12 -15.587 6.371 -1.574 78 HD3 ARG 12 HD3 ARG 12 -16.206 6.902 -0.011 79 HE ARG 12 HE ARG 12 -14.653 8.589 -0.004 80 HH11 ARG 12 HH11 ARG 12 -13.820 6.264 -2.458 81 HH12 ARG 12 HH12 ARG 12 -12.569 7.245 -3.146 82 HH21 ARG 12 HH21 ARG 12 -13.008 9.889 -0.901 83 HH22 ARG 12 HH22 ARG 12 -12.107 9.306 -2.259 84 H GLY 13 H GLY 13 -13.203 0.748 -0.176 85 HA2 GLY 13 HA3 GLY 13 -15.630 -0.502 -1.274 86 HA3 GLY 13 HA2 GLY 13 -13.986 -1.065 -1.534 87 H ASP 14 H ASP 14 -13.432 -2.825 -0.452 88 HA ASP 14 HA ASP 14 -14.872 -3.435 2.047 89 HB2 ASP 14 HB2 ASP 14 -15.446 -5.030 0.310 90 HB3 ASP 14 HB3 ASP 14 -13.742 -5.328 -0.024 91 H PHE 15 H PHE 15 -11.956 -4.810 0.558 92 HA PHE 15 HA PHE 15 -10.515 -4.214 3.057 93 HB2 PHE 15 HB2 PHE 15 -10.341 -6.535 1.153 94 HB3 PHE 15 HB3 PHE 15 -9.006 -6.147 2.233 95 HD1 PHE 15 HD1 PHE 15 -10.115 -5.503 4.734 96 HD2 PHE 15 HD2 PHE 15 -11.521 -8.347 1.896 97 HE1 PHE 15 HE1 PHE 15 -11.212 -6.759 6.542 98 HE2 PHE 15 HE2 PHE 15 -12.621 -9.607 3.700 99 HZ PHE 15 HZ PHE 15 -12.468 -8.814 6.026 100 HA PRO 16 HA PRO 16 -7.749 -1.773 0.614 101 HB2 PRO 16 HB2 PRO 16 -5.432 -1.765 2.116 102 HB3 PRO 16 HB3 PRO 16 -6.974 -1.128 2.767 103 HG2 PRO 16 HG2 PRO 16 -5.879 -3.944 3.194 104 HG3 PRO 16 HG3 PRO 16 -6.383 -2.772 4.468 105 HD2 PRO 16 HD2 PRO 16 -8.092 -4.659 3.675 106 HD3 PRO 16 HD3 PRO 16 -8.693 -2.976 3.919 107 H ILE 17 H ILE 17 -5.432 -1.859 -0.512 108 HA ILE 17 HA ILE 17 -5.300 -4.592 -1.729 109 HB ILE 17 HB ILE 17 -4.450 -1.879 -2.858 110 HG12 ILE 17 HG12 ILE 17 -6.142 -2.398 -4.618 111 HG13 ILE 17 HG13 ILE 17 -6.680 -3.832 -3.711 112 HG21 ILE 17 HG21 ILE 17 -4.198 -4.705 -4.056 113 HG22 ILE 17 HG22 ILE 17 -3.878 -3.180 -4.929 114 HG23 ILE 17 HG23 ILE 17 -2.836 -3.652 -3.576 115 HD11 ILE 17 HD11 ILE 17 -7.598 -2.380 -1.917 116 HD12 ILE 17 HD12 ILE 17 -6.794 -0.938 -2.618 117 HD13 ILE 17 HD13 ILE 17 -8.145 -1.733 -3.472 118 H SER 18 H SER 18 -2.951 -1.844 -0.982 119 HA SER 18 HA SER 18 -0.809 -3.890 -1.133 120 HB2 SER 18 HB2 SER 18 0.699 -2.052 -1.375 121 HB3 SER 18 HB3 SER 18 -0.739 -1.564 -2.296 122 HG SER 18 HG SER 18 -1.298 -0.298 -0.290 123 H PHE 19 H PHE 19 1.143 -3.405 0.574 124 HA PHE 19 HA PHE 19 -0.015 -2.838 3.247 125 HB2 PHE 19 HB2 PHE 19 1.560 -5.367 2.570 126 HB3 PHE 19 HB3 PHE 19 0.802 -4.991 4.140 127 HD1 PHE 19 HD1 PHE 19 -1.740 -4.826 4.275 128 HD2 PHE 19 HD2 PHE 19 0.267 -6.348 0.779 129 HE1 PHE 19 HE1 PHE 19 -3.880 -5.757 3.443 130 HE2 PHE 19 HE2 PHE 19 -1.846 -7.371 0.013 131 HZ PHE 19 HZ PHE 19 -3.939 -7.030 1.309 132 H TYR 20 H TYR 20 1.957 -3.101 4.966 133 HA TYR 20 HA TYR 20 3.290 -0.677 4.200 134 HB2 TYR 20 HB2 TYR 20 2.542 -1.586 6.632 135 HB3 TYR 20 HB3 TYR 20 4.179 -2.256 6.659 136 HD1 TYR 20 HD1 TYR 20 2.071 0.806 6.165 137 HD2 TYR 20 HD2 TYR 20 5.992 -0.624 7.211 138 HE1 TYR 20 HE1 TYR 20 2.752 3.106 6.708 139 HE2 TYR 20 HE2 TYR 20 6.666 1.685 7.796 140 HH TYR 20 HH TYR 20 4.513 4.516 7.497 141 H GLY 21 H GLY 21 5.807 -0.359 4.537 142 HA2 GLY 21 HA3 GLY 21 7.478 -2.671 4.413 143 HA3 GLY 21 HA2 GLY 21 7.232 -2.055 2.753 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.173 -0.503 0.667 2 HA2 GLY 1 HA3 GLY 1 2.033 0.255 -1.477 3 HA3 GLY 1 HA2 GLY 1 3.439 0.980 -0.680 4 H GLY 2 H GLY 2 4.355 -0.988 1.095 5 HA2 GLY 2 HA3 GLY 2 5.615 -2.791 -0.824 6 HA3 GLY 2 HA2 GLY 2 5.873 -2.743 0.933 7 H ALA 3 H ALA 3 5.829 -5.172 0.846 8 HA ALA 3 HA ALA 3 3.007 -6.238 0.630 9 HB1 ALA 3 HB1 ALA 3 4.567 -7.073 -1.153 10 HB2 ALA 3 HB2 ALA 3 5.677 -7.663 0.119 11 HB3 ALA 3 HB3 ALA 3 4.042 -8.376 -0.045 12 H GLY 4 H GLY 4 3.925 -4.899 3.022 13 HA2 GLY 4 HA3 GLY 4 4.891 -6.991 4.839 14 HA3 GLY 4 HA2 GLY 4 4.431 -5.333 5.244 15 H HIS 5 H HIS 5 3.044 -5.891 6.970 16 HA HIS 5 HA HIS 5 0.884 -7.822 6.465 17 HB2 HIS 5 HB2 HIS 5 2.414 -7.094 8.954 18 HB3 HIS 5 HB3 HIS 5 0.877 -7.949 9.037 19 HD1 HIS 5 HD1 HIS 5 4.188 -8.394 7.202 20 HD2 HIS 5 HD2 HIS 5 1.216 -10.624 9.061 21 HE1 HIS 5 HE1 HIS 5 4.966 -10.783 7.084 22 H VAL 6 H VAL 6 1.470 -4.375 7.299 23 HA VAL 6 HA VAL 6 -1.283 -4.162 8.424 24 HB VAL 6 HB VAL 6 1.174 -2.344 8.645 25 HG11 VAL 6 HG11 VAL 6 -1.508 -2.145 10.138 26 HG12 VAL 6 HG12 VAL 6 -0.096 -1.075 10.325 27 HG13 VAL 6 HG13 VAL 6 -1.002 -1.073 8.791 28 HG21 VAL 6 HG21 VAL 6 1.252 -3.127 11.028 29 HG22 VAL 6 HG22 VAL 6 -0.095 -4.258 10.707 30 HG23 VAL 6 HG23 VAL 6 1.485 -4.492 9.906 31 HA PRO 7 HA PRO 7 -1.856 -2.306 4.363 32 HB2 PRO 7 HB2 PRO 7 -4.235 -0.957 4.590 33 HB3 PRO 7 HB3 PRO 7 -4.073 -2.748 4.682 34 HG2 PRO 7 HG2 PRO 7 -4.099 -0.834 7.067 35 HG3 PRO 7 HG3 PRO 7 -5.239 -2.197 6.783 36 HD2 PRO 7 HD2 PRO 7 -3.062 -2.579 8.348 37 HD3 PRO 7 HD3 PRO 7 -3.442 -3.847 7.119 38 H GLU 8 H GLU 8 -1.424 -0.320 3.205 39 HA GLU 8 HA GLU 8 -0.197 1.793 4.874 40 HB2 GLU 8 HB2 GLU 8 -0.418 1.408 1.821 41 HB3 GLU 8 HB3 GLU 8 0.399 2.782 2.611 42 HG2 GLU 8 HG2 GLU 8 1.996 1.276 3.739 43 HG3 GLU 8 HG3 GLU 8 1.143 -0.160 3.121 44 H TYR 9 H TYR 9 -3.028 1.392 2.589 45 HA TYR 9 HA TYR 9 -4.256 3.797 3.870 46 HB2 TYR 9 HB2 TYR 9 -4.761 4.645 1.469 47 HB3 TYR 9 HB3 TYR 9 -3.053 4.732 1.945 48 HD1 TYR 9 HD1 TYR 9 -5.550 2.573 0.096 49 HD2 TYR 9 HD2 TYR 9 -1.395 3.555 0.651 50 HE1 TYR 9 HE1 TYR 9 -4.943 1.019 -1.716 51 HE2 TYR 9 HE2 TYR 9 -0.793 2.036 -1.199 52 HH TYR 9 HH TYR 9 -3.172 0.246 -3.143 53 H PHE 10 H PHE 10 -6.645 4.018 2.897 54 HA PHE 10 HA PHE 10 -7.660 1.240 2.409 55 HB2 PHE 10 HB2 PHE 10 -8.823 3.379 4.272 56 HB3 PHE 10 HB3 PHE 10 -9.669 1.891 3.791 57 HD1 PHE 10 HD1 PHE 10 -6.721 3.217 5.683 58 HD2 PHE 10 HD2 PHE 10 -8.881 -0.333 4.572 59 HE1 PHE 10 HE1 PHE 10 -5.721 2.005 7.600 60 HE2 PHE 10 HE2 PHE 10 -7.897 -1.536 6.498 61 HZ PHE 10 HZ PHE 10 -6.417 -0.328 8.091 62 H VAL 11 H VAL 11 -9.375 1.100 0.958 63 HA VAL 11 HA VAL 11 -10.094 3.565 -0.473 64 HB VAL 11 HB VAL 11 -10.547 0.722 -1.382 65 HG11 VAL 11 HG11 VAL 11 -12.000 2.022 -2.619 66 HG12 VAL 11 HG12 VAL 11 -10.919 3.417 -2.619 67 HG13 VAL 11 HG13 VAL 11 -10.559 2.022 -3.637 68 HG21 VAL 11 HG21 VAL 11 -8.339 0.623 -1.695 69 HG22 VAL 11 HG22 VAL 11 -8.577 1.803 -2.983 70 HG23 VAL 11 HG23 VAL 11 -8.132 2.343 -1.364 71 H ARG 12 H ARG 12 -12.353 3.645 -1.327 72 HA ARG 12 HA ARG 12 -14.195 3.250 0.837 73 HB2 ARG 12 HB2 ARG 12 -14.695 4.223 -1.982 74 HB3 ARG 12 HB3 ARG 12 -15.829 4.330 -0.642 75 HG2 ARG 12 HG2 ARG 12 -14.371 5.850 0.529 76 HG3 ARG 12 HG3 ARG 12 -13.135 5.671 -0.718 77 HD2 ARG 12 HD2 ARG 12 -14.119 7.619 -1.403 78 HD3 ARG 12 HD3 ARG 12 -15.089 6.449 -2.297 79 HE ARG 12 HE ARG 12 -16.904 7.064 -1.050 80 HH11 ARG 12 HH11 ARG 12 -14.011 8.160 0.546 81 HH12 ARG 12 HH12 ARG 12 -14.863 9.068 1.750 82 HH21 ARG 12 HH21 ARG 12 -18.037 8.256 0.530 83 HH22 ARG 12 HH22 ARG 12 -17.153 9.121 1.741 84 H GLY 13 H GLY 13 -13.021 0.865 -0.499 85 HA2 GLY 13 HA3 GLY 13 -15.445 -0.364 -1.628 86 HA3 GLY 13 HA2 GLY 13 -13.808 -0.972 -1.825 87 H ASP 14 H ASP 14 -13.331 -2.712 -0.676 88 HA ASP 14 HA ASP 14 -14.843 -3.201 1.807 89 HB2 ASP 14 HB2 ASP 14 -15.421 -4.833 0.103 90 HB3 ASP 14 HB3 ASP 14 -13.719 -5.195 -0.171 91 H PHE 15 H PHE 15 -11.932 -4.694 0.423 92 HA PHE 15 HA PHE 15 -10.530 -4.059 2.935 93 HB2 PHE 15 HB2 PHE 15 -10.386 -6.450 1.118 94 HB3 PHE 15 HB3 PHE 15 -9.061 -6.063 2.210 95 HD1 PHE 15 HD1 PHE 15 -9.856 -5.576 4.706 96 HD2 PHE 15 HD2 PHE 15 -11.977 -7.921 1.857 97 HE1 PHE 15 HE1 PHE 15 -11.025 -6.735 6.535 98 HE2 PHE 15 HE2 PHE 15 -13.149 -9.083 3.681 99 HZ PHE 15 HZ PHE 15 -12.675 -8.490 6.024 100 HA PRO 16 HA PRO 16 -7.656 -1.792 0.434 101 HB2 PRO 16 HB2 PRO 16 -5.377 -1.735 1.979 102 HB3 PRO 16 HB3 PRO 16 -6.928 -1.066 2.575 103 HG2 PRO 16 HG2 PRO 16 -5.844 -3.860 3.139 104 HG3 PRO 16 HG3 PRO 16 -6.371 -2.634 4.352 105 HD2 PRO 16 HD2 PRO 16 -8.054 -4.569 3.580 106 HD3 PRO 16 HD3 PRO 16 -8.673 -2.886 3.794 107 H ILE 17 H ILE 17 -5.302 -1.965 -0.608 108 HA ILE 17 HA ILE 17 -5.257 -4.712 -1.792 109 HB ILE 17 HB ILE 17 -4.271 -2.036 -2.875 110 HG12 ILE 17 HG12 ILE 17 -5.893 -2.478 -4.705 111 HG13 ILE 17 HG13 ILE 17 -6.467 -3.950 -3.886 112 HG21 ILE 17 HG21 ILE 17 -3.993 -4.858 -4.076 113 HG22 ILE 17 HG22 ILE 17 -3.633 -3.336 -4.937 114 HG23 ILE 17 HG23 ILE 17 -2.647 -3.810 -3.544 115 HD11 ILE 17 HD11 ILE 17 -7.950 -1.871 -3.628 116 HD12 ILE 17 HD12 ILE 17 -7.472 -2.584 -2.078 117 HD13 ILE 17 HD13 ILE 17 -6.646 -1.108 -2.676 118 H SER 18 H SER 18 -2.800 -2.091 -0.961 119 HA SER 18 HA SER 18 -0.764 -4.281 -0.947 120 HB2 SER 18 HB2 SER 18 0.848 -2.590 -1.395 121 HB3 SER 18 HB3 SER 18 -0.541 -2.167 -2.421 122 HG SER 18 HG SER 18 -1.060 -0.560 -0.689 123 H PHE 19 H PHE 19 1.201 -3.699 0.704 124 HA PHE 19 HA PHE 19 0.011 -2.884 3.305 125 HB2 PHE 19 HB2 PHE 19 1.588 -5.457 2.876 126 HB3 PHE 19 HB3 PHE 19 0.668 -5.015 4.340 127 HD1 PHE 19 HD2 PHE 19 -1.900 -4.808 4.141 128 HD2 PHE 19 HD1 PHE 19 0.518 -6.612 1.065 129 HE1 PHE 19 HE2 PHE 19 -3.928 -5.796 3.114 130 HE2 PHE 19 HE1 PHE 19 -1.494 -7.666 0.099 131 HZ PHE 19 HZ PHE 19 -3.728 -7.244 1.104 132 H TYR 20 H TYR 20 1.986 -3.184 5.070 133 HA TYR 20 HA TYR 20 3.339 -0.788 4.271 134 HB2 TYR 20 HB2 TYR 20 2.626 -1.710 6.731 135 HB3 TYR 20 HB3 TYR 20 4.283 -2.327 6.735 136 HD1 TYR 20 HD2 TYR 20 2.090 0.674 6.180 137 HD2 TYR 20 HD1 TYR 20 6.022 -0.643 7.325 138 HE1 TYR 20 HE2 TYR 20 2.707 2.999 6.697 139 HE2 TYR 20 HE1 TYR 20 6.634 1.690 7.875 140 HH TYR 20 HH TYR 20 4.415 4.464 7.503 141 H GLY 21 H GLY 21 5.867 -0.487 4.646 142 HA2 GLY 21 HA3 GLY 21 7.461 -2.903 4.192 143 HA3 GLY 21 HA2 GLY 21 7.314 -1.855 2.745 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.607 -0.819 0.902 2 HA2 GLY 1 HA3 GLY 1 2.067 0.090 -1.404 3 HA3 GLY 1 HA2 GLY 1 3.552 0.827 -0.748 4 H GLY 2 H GLY 2 4.486 -1.101 1.087 5 HA2 GLY 2 HA3 GLY 2 5.744 -2.900 -0.837 6 HA3 GLY 2 HA2 GLY 2 6.037 -2.830 0.913 7 H ALA 3 H ALA 3 6.063 -5.281 0.663 8 HA ALA 3 HA ALA 3 3.294 -6.444 0.430 9 HB1 ALA 3 HB1 ALA 3 6.040 -7.791 0.230 10 HB2 ALA 3 HB2 ALA 3 4.442 -8.562 -0.017 11 HB3 ALA 3 HB3 ALA 3 5.011 -7.298 -1.149 12 H GLY 4 H GLY 4 3.822 -4.987 2.844 13 HA2 GLY 4 HA3 GLY 4 4.900 -6.897 4.816 14 HA3 GLY 4 HA2 GLY 4 4.310 -5.257 5.109 15 H HIS 5 H HIS 5 3.069 -5.961 6.908 16 HA HIS 5 HA HIS 5 0.890 -7.868 6.392 17 HB2 HIS 5 HB2 HIS 5 2.437 -7.182 8.882 18 HB3 HIS 5 HB3 HIS 5 0.893 -8.025 8.962 19 HD1 HIS 5 HD1 HIS 5 3.564 -9.321 9.894 20 HD2 HIS 5 HD2 HIS 5 1.839 -9.855 6.152 21 HE1 HIS 5 HE1 HIS 5 4.480 -11.500 9.036 22 H VAL 6 H VAL 6 1.506 -4.430 7.266 23 HA VAL 6 HA VAL 6 -1.240 -4.219 8.416 24 HB VAL 6 HB VAL 6 1.232 -2.444 8.704 25 HG11 VAL 6 HG11 VAL 6 -0.057 -1.211 10.402 26 HG12 VAL 6 HG12 VAL 6 -0.931 -1.142 8.851 27 HG13 VAL 6 HG13 VAL 6 -1.483 -2.251 10.146 28 HG21 VAL 6 HG21 VAL 6 1.488 -4.635 9.909 29 HG22 VAL 6 HG22 VAL 6 1.270 -3.294 11.061 30 HG23 VAL 6 HG23 VAL 6 -0.093 -4.391 10.701 31 HA PRO 7 HA PRO 7 -1.778 -2.371 4.382 32 HB2 PRO 7 HB2 PRO 7 -4.172 -1.015 4.576 33 HB3 PRO 7 HB3 PRO 7 -3.996 -2.804 4.631 34 HG2 PRO 7 HG2 PRO 7 -4.088 -0.939 7.052 35 HG3 PRO 7 HG3 PRO 7 -5.197 -2.320 6.725 36 HD2 PRO 7 HD2 PRO 7 -3.050 -2.685 8.325 37 HD3 PRO 7 HD3 PRO 7 -3.375 -3.942 7.064 38 H GLU 8 H GLU 8 -1.416 -0.350 3.197 39 HA GLU 8 HA GLU 8 -0.158 1.763 4.849 40 HB2 GLU 8 HB2 GLU 8 -0.469 1.385 1.810 41 HB3 GLU 8 HB3 GLU 8 0.284 2.815 2.567 42 HG2 GLU 8 HG2 GLU 8 2.066 1.472 3.577 43 HG3 GLU 8 HG3 GLU 8 1.237 -0.037 3.143 44 H TYR 9 H TYR 9 -2.970 1.419 2.509 45 HA TYR 9 HA TYR 9 -4.237 3.767 3.870 46 HB2 TYR 9 HB2 TYR 9 -4.789 4.630 1.493 47 HB3 TYR 9 HB3 TYR 9 -3.080 4.764 1.961 48 HD1 TYR 9 HD2 TYR 9 -5.515 2.620 0.033 49 HD2 TYR 9 HD1 TYR 9 -1.378 3.616 0.684 50 HE1 TYR 9 HE2 TYR 9 -4.868 1.148 -1.831 51 HE2 TYR 9 HE1 TYR 9 -0.729 2.127 -1.175 52 HH TYR 9 HH TYR 9 -3.066 0.282 -3.145 53 H PHE 10 H PHE 10 -6.620 3.964 3.110 54 HA PHE 10 HA PHE 10 -7.649 1.200 2.544 55 HB2 PHE 10 HB2 PHE 10 -8.765 3.331 4.444 56 HB3 PHE 10 HB3 PHE 10 -9.658 1.883 3.931 57 HD1 PHE 10 HD1 PHE 10 -6.701 3.067 5.889 58 HD2 PHE 10 HD2 PHE 10 -8.909 -0.392 4.600 59 HE1 PHE 10 HE1 PHE 10 -5.739 1.752 7.757 60 HE2 PHE 10 HE2 PHE 10 -7.947 -1.703 6.467 61 HZ PHE 10 HZ PHE 10 -6.460 -0.595 8.124 62 H VAL 11 H VAL 11 -9.368 1.084 1.101 63 HA VAL 11 HA VAL 11 -10.090 3.561 -0.308 64 HB VAL 11 HB VAL 11 -10.547 0.726 -1.238 65 HG11 VAL 11 HG11 VAL 11 -10.566 2.045 -3.482 66 HG12 VAL 11 HG12 VAL 11 -12.005 2.037 -2.460 67 HG13 VAL 11 HG13 VAL 11 -10.923 3.430 -2.452 68 HG21 VAL 11 HG21 VAL 11 -8.263 2.610 -1.794 69 HG22 VAL 11 HG22 VAL 11 -8.183 1.010 -1.057 70 HG23 VAL 11 HG23 VAL 11 -8.608 1.175 -2.760 71 H ARG 12 H ARG 12 -12.351 3.652 -1.152 72 HA ARG 12 HA ARG 12 -14.186 3.235 1.015 73 HB2 ARG 12 HB2 ARG 12 -14.593 4.307 -1.782 74 HB3 ARG 12 HB3 ARG 12 -15.842 4.271 -0.544 75 HG2 ARG 12 HG2 ARG 12 -14.540 5.761 0.854 76 HG3 ARG 12 HG3 ARG 12 -13.229 5.752 -0.328 77 HD2 ARG 12 HD2 ARG 12 -14.248 7.646 -1.026 78 HD3 ARG 12 HD3 ARG 12 -15.247 6.500 -1.920 79 HE ARG 12 HE ARG 12 -16.563 6.734 0.420 80 HH11 ARG 12 HH11 ARG 12 -15.322 9.074 -1.839 81 HH12 ARG 12 HH12 ARG 12 -16.539 10.256 -1.485 82 HH21 ARG 12 HH21 ARG 12 -18.171 8.281 0.895 83 HH22 ARG 12 HH22 ARG 12 -18.158 9.804 0.071 84 H GLY 13 H GLY 13 -13.017 0.869 -0.373 85 HA2 GLY 13 HA3 GLY 13 -15.452 -0.344 -1.496 86 HA3 GLY 13 HA2 GLY 13 -13.817 -0.947 -1.719 87 H ASP 14 H ASP 14 -13.322 -2.702 -0.600 88 HA ASP 14 HA ASP 14 -14.813 -3.235 1.887 89 HB2 ASP 14 HB2 ASP 14 -15.401 -4.844 0.166 90 HB3 ASP 14 HB3 ASP 14 -13.700 -5.191 -0.134 91 H PHE 15 H PHE 15 -11.908 -4.698 0.459 92 HA PHE 15 HA PHE 15 -10.489 -4.097 2.970 93 HB2 PHE 15 HB2 PHE 15 -10.347 -6.455 1.109 94 HB3 PHE 15 HB3 PHE 15 -9.017 -6.082 2.199 95 HD1 PHE 15 HD1 PHE 15 -10.137 -5.369 4.674 96 HD2 PHE 15 HD2 PHE 15 -11.585 -8.221 1.866 97 HE1 PHE 15 HE1 PHE 15 -11.288 -6.566 6.489 98 HE2 PHE 15 HE2 PHE 15 -12.740 -9.422 3.677 99 HZ PHE 15 HZ PHE 15 -12.593 -8.595 5.992 100 HA PRO 16 HA PRO 16 -7.621 -1.778 0.503 101 HB2 PRO 16 HB2 PRO 16 -5.319 -1.808 2.049 102 HB3 PRO 16 HB3 PRO 16 -6.853 -1.120 2.661 103 HG2 PRO 16 HG2 PRO 16 -5.837 -3.960 3.141 104 HG3 PRO 16 HG3 PRO 16 -6.313 -2.754 4.394 105 HD2 PRO 16 HD2 PRO 16 -8.079 -4.598 3.613 106 HD3 PRO 16 HD3 PRO 16 -8.627 -2.892 3.830 107 H ILE 17 H ILE 17 -5.095 -2.021 -0.397 108 HA ILE 17 HA ILE 17 -5.118 -4.753 -1.655 109 HB ILE 17 HB ILE 17 -4.084 -2.138 -2.860 110 HG12 ILE 17 HG12 ILE 17 -6.095 -2.870 -4.537 111 HG13 ILE 17 HG13 ILE 17 -6.779 -3.557 -3.050 112 HG21 ILE 17 HG21 ILE 17 -4.367 -4.957 -4.055 113 HG22 ILE 17 HG22 ILE 17 -3.794 -3.499 -4.916 114 HG23 ILE 17 HG23 ILE 17 -2.822 -4.180 -3.597 115 HD11 ILE 17 HD11 ILE 17 -5.928 -0.613 -3.525 116 HD12 ILE 17 HD12 ILE 17 -7.600 -1.234 -3.501 117 HD13 ILE 17 HD13 ILE 17 -6.645 -1.212 -2.000 118 H SER 18 H SER 18 -2.670 -2.063 -0.945 119 HA SER 18 HA SER 18 -0.623 -4.260 -0.840 120 HB2 SER 18 HB2 SER 18 0.936 -2.306 -1.186 121 HB3 SER 18 HB3 SER 18 -0.283 -2.429 -2.479 122 HG SER 18 HG SER 18 -0.526 -0.598 -0.287 123 H PHE 19 H PHE 19 1.299 -3.611 0.825 124 HA PHE 19 HA PHE 19 0.121 -2.448 3.263 125 HB2 PHE 19 HB2 PHE 19 1.528 -5.102 3.553 126 HB3 PHE 19 HB3 PHE 19 0.212 -4.481 4.555 127 HD1 PHE 19 HD2 PHE 19 1.131 -6.339 1.507 128 HD2 PHE 19 HD1 PHE 19 -2.182 -4.755 3.749 129 HE1 PHE 19 HE2 PHE 19 -0.419 -7.755 0.206 130 HE2 PHE 19 HE1 PHE 19 -3.738 -6.148 2.419 131 HZ PHE 19 HZ PHE 19 -2.859 -7.680 0.672 132 H TYR 20 H TYR 20 1.962 -2.927 5.160 133 HA TYR 20 HA TYR 20 3.596 -0.715 4.338 134 HB2 TYR 20 HB2 TYR 20 2.726 -1.629 6.845 135 HB3 TYR 20 HB3 TYR 20 4.405 -2.169 6.874 136 HD1 TYR 20 HD1 TYR 20 2.148 0.721 5.983 137 HD2 TYR 20 HD2 TYR 20 5.926 -0.404 7.709 138 HE1 TYR 20 HE1 TYR 20 2.616 3.087 6.477 139 HE2 TYR 20 HE2 TYR 20 6.378 1.967 8.242 140 HH TYR 20 HH TYR 20 4.136 4.638 7.486 141 H GLY 21 H GLY 21 6.195 -0.956 5.239 142 HA2 GLY 21 HA3 GLY 21 8.225 -2.107 4.940 143 HA3 GLY 21 HA2 GLY 21 7.326 -3.533 4.367 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.771 -0.886 0.927 2 HA2 GLY 1 HA3 GLY 1 2.270 0.139 -1.375 3 HA3 GLY 1 HA2 GLY 1 3.754 0.775 -0.613 4 H GLY 2 H GLY 2 4.602 -1.251 1.087 5 HA2 GLY 2 HA3 GLY 2 5.705 -3.098 -0.908 6 HA3 GLY 2 HA2 GLY 2 6.084 -3.035 0.826 7 H ALA 3 H ALA 3 5.916 -5.459 0.834 8 HA ALA 3 HA ALA 3 3.062 -6.426 0.656 9 HB1 ALA 3 HB1 ALA 3 4.649 -7.409 -1.027 10 HB2 ALA 3 HB2 ALA 3 5.701 -7.968 0.306 11 HB3 ALA 3 HB3 ALA 3 4.049 -8.633 0.131 12 H GLY 4 H GLY 4 3.928 -4.997 3.010 13 HA2 GLY 4 HA3 GLY 4 4.815 -6.999 4.957 14 HA3 GLY 4 HA2 GLY 4 4.332 -5.328 5.271 15 H HIS 5 H HIS 5 2.974 -5.894 7.015 16 HA HIS 5 HA HIS 5 0.785 -7.794 6.522 17 HB2 HIS 5 HB2 HIS 5 2.311 -7.057 9.010 18 HB3 HIS 5 HB3 HIS 5 0.761 -7.888 9.095 19 HD1 HIS 5 HD1 HIS 5 4.346 -8.437 8.451 20 HD2 HIS 5 HD2 HIS 5 0.790 -10.534 7.985 21 HE1 HIS 5 HE1 HIS 5 5.021 -10.830 8.072 22 H VAL 6 H VAL 6 1.419 -4.346 7.299 23 HA VAL 6 HA VAL 6 -1.331 -4.077 8.419 24 HB VAL 6 HB VAL 6 1.158 -2.301 8.639 25 HG11 VAL 6 HG11 VAL 6 -1.534 -2.047 10.109 26 HG12 VAL 6 HG12 VAL 6 -0.107 -0.999 10.305 27 HG13 VAL 6 HG13 VAL 6 -0.997 -0.992 8.761 28 HG21 VAL 6 HG21 VAL 6 1.424 -4.442 9.917 29 HG22 VAL 6 HG22 VAL 6 1.210 -3.066 11.028 30 HG23 VAL 6 HG23 VAL 6 -0.155 -4.175 10.708 31 HA PRO 7 HA PRO 7 -1.826 -2.264 4.337 32 HB2 PRO 7 HB2 PRO 7 -4.209 -0.904 4.506 33 HB3 PRO 7 HB3 PRO 7 -4.052 -2.693 4.623 34 HG2 PRO 7 HG2 PRO 7 -4.112 -0.750 6.982 35 HG3 PRO 7 HG3 PRO 7 -5.246 -2.119 6.700 36 HD2 PRO 7 HD2 PRO 7 -3.091 -2.476 8.304 37 HD3 PRO 7 HD3 PRO 7 -3.463 -3.764 7.092 38 H GLU 8 H GLU 8 -1.343 -0.293 3.169 39 HA GLU 8 HA GLU 8 -0.143 1.836 4.822 40 HB2 GLU 8 HB2 GLU 8 -0.418 1.454 1.778 41 HB3 GLU 8 HB3 GLU 8 0.376 2.856 2.542 42 HG2 GLU 8 HG2 GLU 8 2.070 1.412 3.597 43 HG3 GLU 8 HG3 GLU 8 1.220 -0.059 3.072 44 H TYR 9 H TYR 9 -3.003 1.402 2.563 45 HA TYR 9 HA TYR 9 -4.212 3.852 3.793 46 HB2 TYR 9 HB2 TYR 9 -4.753 4.603 1.377 47 HB3 TYR 9 HB3 TYR 9 -3.031 4.668 1.795 48 HD1 TYR 9 HD1 TYR 9 -5.630 2.459 0.144 49 HD2 TYR 9 HD2 TYR 9 -1.451 3.447 0.452 50 HE1 TYR 9 HE1 TYR 9 -5.102 0.808 -1.619 51 HE2 TYR 9 HE2 TYR 9 -0.940 1.875 -1.363 52 HH TYR 9 HH TYR 9 -1.793 0.143 -2.777 53 H PHE 10 H PHE 10 -6.611 4.040 2.847 54 HA PHE 10 HA PHE 10 -7.649 1.260 2.431 55 HB2 PHE 10 HB2 PHE 10 -8.778 3.435 4.274 56 HB3 PHE 10 HB3 PHE 10 -9.652 1.958 3.808 57 HD1 PHE 10 HD1 PHE 10 -6.689 3.248 5.697 58 HD2 PHE 10 HD2 PHE 10 -8.891 -0.277 4.583 59 HE1 PHE 10 HE1 PHE 10 -5.707 2.024 7.616 60 HE2 PHE 10 HE2 PHE 10 -7.921 -1.493 6.510 61 HZ PHE 10 HZ PHE 10 -6.425 -0.303 8.103 62 H VAL 11 H VAL 11 -9.357 1.110 0.977 63 HA VAL 11 HA VAL 11 -10.057 3.557 -0.492 64 HB VAL 11 HB VAL 11 -10.527 0.703 -1.359 65 HG11 VAL 11 HG11 VAL 11 -10.879 3.381 -2.636 66 HG12 VAL 11 HG12 VAL 11 -10.527 1.968 -3.633 67 HG13 VAL 11 HG13 VAL 11 -11.969 1.995 -2.618 68 HG21 VAL 11 HG21 VAL 11 -8.348 0.554 -1.771 69 HG22 VAL 11 HG22 VAL 11 -8.532 1.857 -2.946 70 HG23 VAL 11 HG23 VAL 11 -8.088 2.228 -1.280 71 H ARG 12 H ARG 12 -12.313 3.642 -1.350 72 HA ARG 12 HA ARG 12 -14.162 3.283 0.816 73 HB2 ARG 12 HB2 ARG 12 -14.473 4.350 -1.990 74 HB3 ARG 12 HB3 ARG 12 -15.808 4.251 -0.849 75 HG2 ARG 12 HG2 ARG 12 -14.639 5.744 0.674 76 HG3 ARG 12 HG3 ARG 12 -13.270 5.819 -0.437 77 HD2 ARG 12 HD2 ARG 12 -14.341 7.697 -1.119 78 HD3 ARG 12 HD3 ARG 12 -15.211 6.536 -2.121 79 HE ARG 12 HE ARG 12 -17.100 7.024 -0.943 80 HH11 ARG 12 HH11 ARG 12 -14.336 7.977 0.947 81 HH12 ARG 12 HH12 ARG 12 -15.282 8.714 2.198 82 HH21 ARG 12 HH21 ARG 12 -18.356 7.991 0.697 83 HH22 ARG 12 HH22 ARG 12 -17.569 8.721 2.055 84 H GLY 13 H GLY 13 -12.998 0.886 -0.535 85 HA2 GLY 13 HA3 GLY 13 -15.438 -0.335 -1.635 86 HA3 GLY 13 HA2 GLY 13 -13.806 -0.951 -1.845 87 H ASP 14 H ASP 14 -13.318 -2.684 -0.690 88 HA ASP 14 HA ASP 14 -14.820 -3.168 1.800 89 HB2 ASP 14 HB2 ASP 14 -15.408 -4.811 0.118 90 HB3 ASP 14 HB3 ASP 14 -13.708 -5.158 -0.188 91 H PHE 15 H PHE 15 -11.916 -4.674 0.420 92 HA PHE 15 HA PHE 15 -10.506 -4.024 2.923 93 HB2 PHE 15 HB2 PHE 15 -10.362 -6.419 1.110 94 HB3 PHE 15 HB3 PHE 15 -9.035 -6.027 2.199 95 HD1 PHE 15 HD2 PHE 15 -10.011 -5.377 4.680 96 HD2 PHE 15 HD1 PHE 15 -11.764 -8.050 1.870 97 HE1 PHE 15 HE2 PHE 15 -11.175 -6.534 6.513 98 HE2 PHE 15 HE1 PHE 15 -12.931 -9.212 3.698 99 HZ PHE 15 HZ PHE 15 -12.636 -8.455 6.023 100 HA PRO 16 HA PRO 16 -7.647 -1.734 0.448 101 HB2 PRO 16 HB2 PRO 16 -5.364 -1.697 2.012 102 HB3 PRO 16 HB3 PRO 16 -6.919 -1.039 2.606 103 HG2 PRO 16 HG2 PRO 16 -5.847 -3.848 3.124 104 HG3 PRO 16 HG3 PRO 16 -6.360 -2.636 4.359 105 HD2 PRO 16 HD2 PRO 16 -8.070 -4.531 3.583 106 HD3 PRO 16 HD3 PRO 16 -8.664 -2.837 3.783 107 H ILE 17 H ILE 17 -5.174 -1.892 -0.455 108 HA ILE 17 HA ILE 17 -5.163 -4.584 -1.783 109 HB ILE 17 HB ILE 17 -4.224 -1.857 -2.781 110 HG12 ILE 17 HG12 ILE 17 -6.663 -3.557 -3.577 111 HG13 ILE 17 HG13 ILE 17 -6.720 -2.107 -2.546 112 HG21 ILE 17 HG21 ILE 17 -3.812 -3.008 -4.948 113 HG22 ILE 17 HG22 ILE 17 -2.843 -3.777 -3.685 114 HG23 ILE 17 HG23 ILE 17 -4.344 -4.564 -4.247 115 HD11 ILE 17 HD11 ILE 17 -5.762 -0.725 -4.446 116 HD12 ILE 17 HD12 ILE 17 -5.927 -2.151 -5.519 117 HD13 ILE 17 HD13 ILE 17 -7.371 -1.429 -4.775 118 H SER 18 H SER 18 -2.684 -1.944 -0.957 119 HA SER 18 HA SER 18 -0.640 -4.143 -0.983 120 HB2 SER 18 HB2 SER 18 0.942 -2.216 -1.199 121 HB3 SER 18 HB3 SER 18 -0.297 -2.213 -2.480 122 HG SER 18 HG SER 18 -0.454 -0.562 -0.134 123 H PHE 19 H PHE 19 1.264 -3.665 0.710 124 HA PHE 19 HA PHE 19 0.062 -2.768 3.276 125 HB2 PHE 19 HB2 PHE 19 1.565 -5.401 2.964 126 HB3 PHE 19 HB3 PHE 19 0.591 -4.900 4.371 127 HD1 PHE 19 HD2 PHE 19 -1.962 -4.742 4.085 128 HD2 PHE 19 HD1 PHE 19 0.568 -6.476 1.059 129 HE1 PHE 19 HE2 PHE 19 -3.947 -5.737 2.982 130 HE2 PHE 19 HE1 PHE 19 -1.402 -7.538 0.018 131 HZ PHE 19 HZ PHE 19 -3.670 -7.156 0.961 132 H TYR 20 H TYR 20 1.927 -3.038 5.096 133 HA TYR 20 HA TYR 20 3.429 -0.764 4.250 134 HB2 TYR 20 HB2 TYR 20 2.668 -1.627 6.748 135 HB3 TYR 20 HB3 TYR 20 4.328 -2.231 6.763 136 HD1 TYR 20 HD2 TYR 20 2.129 0.736 6.053 137 HD2 TYR 20 HD1 TYR 20 6.037 -0.518 7.345 138 HE1 TYR 20 HE2 TYR 20 2.716 3.080 6.518 139 HE2 TYR 20 HE1 TYR 20 6.616 1.835 7.843 140 HH TYR 20 HH TYR 20 4.388 4.578 7.338 141 H GLY 21 H GLY 21 5.982 -0.598 4.697 142 HA2 GLY 21 HA3 GLY 21 7.571 -2.907 4.621 143 HA3 GLY 21 HA2 GLY 21 7.258 -2.478 2.914 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.363 -0.552 0.748 2 HA2 GLY 1 HA3 GLY 1 2.200 0.211 -1.417 3 HA3 GLY 1 HA2 GLY 1 3.599 0.958 -0.625 4 H GLY 2 H GLY 2 4.494 -0.983 1.204 5 HA2 GLY 2 HA3 GLY 2 5.817 -2.802 -0.639 6 HA3 GLY 2 HA2 GLY 2 5.965 -2.788 1.133 7 H ALA 3 H ALA 3 5.934 -5.239 0.814 8 HA ALA 3 HA ALA 3 3.093 -6.247 0.554 9 HB1 ALA 3 HB1 ALA 3 4.104 -8.390 -0.127 10 HB2 ALA 3 HB2 ALA 3 4.681 -7.082 -1.203 11 HB3 ALA 3 HB3 ALA 3 5.748 -7.714 0.087 12 H GLY 4 H GLY 4 3.981 -4.958 2.990 13 HA2 GLY 4 HA3 GLY 4 4.881 -7.093 4.789 14 HA3 GLY 4 HA2 GLY 4 4.451 -5.432 5.212 15 H HIS 5 H HIS 5 3.034 -5.983 6.911 16 HA HIS 5 HA HIS 5 0.859 -7.886 6.365 17 HB2 HIS 5 HB2 HIS 5 2.387 -7.215 8.872 18 HB3 HIS 5 HB3 HIS 5 0.844 -8.062 8.933 19 HD1 HIS 5 HD1 HIS 5 4.204 -8.485 7.190 20 HD2 HIS 5 HD2 HIS 5 1.121 -10.746 8.816 21 HE1 HIS 5 HE1 HIS 5 4.956 -10.877 7.006 22 H VAL 6 H VAL 6 1.472 -4.462 7.277 23 HA VAL 6 HA VAL 6 -1.289 -4.244 8.379 24 HB VAL 6 HB VAL 6 1.194 -2.473 8.681 25 HG11 VAL 6 HG11 VAL 6 -0.073 -1.226 10.377 26 HG12 VAL 6 HG12 VAL 6 -0.962 -1.168 8.834 27 HG13 VAL 6 HG13 VAL 6 -1.501 -2.265 10.148 28 HG21 VAL 6 HG21 VAL 6 1.229 -3.321 11.041 29 HG22 VAL 6 HG22 VAL 6 -0.132 -4.418 10.674 30 HG23 VAL 6 HG23 VAL 6 1.452 -4.658 9.886 31 HA PRO 7 HA PRO 7 -1.808 -2.309 4.362 32 HB2 PRO 7 HB2 PRO 7 -4.156 -0.908 4.597 33 HB3 PRO 7 HB3 PRO 7 -4.028 -2.702 4.660 34 HG2 PRO 7 HG2 PRO 7 -4.023 -0.827 7.077 35 HG3 PRO 7 HG3 PRO 7 -5.194 -2.158 6.769 36 HD2 PRO 7 HD2 PRO 7 -3.036 -2.622 8.332 37 HD3 PRO 7 HD3 PRO 7 -3.433 -3.854 7.073 38 H GLU 8 H GLU 8 -1.329 -0.318 3.220 39 HA GLU 8 HA GLU 8 -0.101 1.780 4.902 40 HB2 GLU 8 HB2 GLU 8 -0.323 1.412 1.849 41 HB3 GLU 8 HB3 GLU 8 0.468 2.802 2.638 42 HG2 GLU 8 HG2 GLU 8 2.100 1.335 3.763 43 HG3 GLU 8 HG3 GLU 8 1.272 -0.119 3.164 44 H TYR 9 H TYR 9 -2.974 1.388 2.660 45 HA TYR 9 HA TYR 9 -4.163 3.797 3.970 46 HB2 TYR 9 HB2 TYR 9 -4.710 4.662 1.592 47 HB3 TYR 9 HB3 TYR 9 -2.988 4.717 2.018 48 HD1 TYR 9 HD2 TYR 9 -5.574 2.587 0.252 49 HD2 TYR 9 HD1 TYR 9 -1.394 3.546 0.642 50 HE1 TYR 9 HE2 TYR 9 -5.035 1.026 -1.588 51 HE2 TYR 9 HE1 TYR 9 -0.874 2.074 -1.255 52 HH TYR 9 HH TYR 9 -1.743 0.548 -2.879 53 H PHE 10 H PHE 10 -6.567 4.040 3.054 54 HA PHE 10 HA PHE 10 -7.624 1.272 2.584 55 HB2 PHE 10 HB2 PHE 10 -8.728 3.428 4.465 56 HB3 PHE 10 HB3 PHE 10 -9.596 1.945 4.006 57 HD1 PHE 10 HD1 PHE 10 -6.612 3.257 5.848 58 HD2 PHE 10 HD2 PHE 10 -8.802 -0.285 4.766 59 HE1 PHE 10 HE1 PHE 10 -5.585 2.038 7.746 60 HE2 PHE 10 HE2 PHE 10 -7.797 -1.492 6.679 61 HZ PHE 10 HZ PHE 10 -6.274 -0.296 8.242 62 H VAL 11 H VAL 11 -9.352 1.158 1.141 63 HA VAL 11 HA VAL 11 -10.078 3.644 -0.247 64 HB VAL 11 HB VAL 11 -10.536 0.816 -1.198 65 HG11 VAL 11 HG11 VAL 11 -11.995 2.139 -2.406 66 HG12 VAL 11 HG12 VAL 11 -10.910 3.530 -2.394 67 HG13 VAL 11 HG13 VAL 11 -10.561 2.147 -3.432 68 HG21 VAL 11 HG21 VAL 11 -8.271 0.812 -1.320 69 HG22 VAL 11 HG22 VAL 11 -8.594 1.694 -2.812 70 HG23 VAL 11 HG23 VAL 11 -8.158 2.572 -1.346 71 H ARG 12 H ARG 12 -12.341 3.742 -1.087 72 HA ARG 12 HA ARG 12 -14.172 3.304 1.079 73 HB2 ARG 12 HB2 ARG 12 -14.533 4.438 -1.696 74 HB3 ARG 12 HB3 ARG 12 -15.834 4.326 -0.519 75 HG2 ARG 12 HG2 ARG 12 -14.653 5.802 0.985 76 HG3 ARG 12 HG3 ARG 12 -13.271 5.852 -0.112 77 HD2 ARG 12 HD2 ARG 12 -14.247 7.714 -0.900 78 HD3 ARG 12 HD3 ARG 12 -15.287 6.589 -1.772 79 HE ARG 12 HE ARG 12 -16.303 7.146 0.826 80 HH11 ARG 12 HH11 ARG 12 -16.021 8.449 -2.390 81 HH12 ARG 12 HH12 ARG 12 -17.439 9.436 -2.255 82 HH21 ARG 12 HH21 ARG 12 -18.171 8.440 1.016 83 HH22 ARG 12 HH22 ARG 12 -18.661 9.431 -0.317 84 H GLY 13 H GLY 13 -13.003 0.955 -0.346 85 HA2 GLY 13 HA3 GLY 13 -15.441 -0.246 -1.473 86 HA3 GLY 13 HA2 GLY 13 -13.806 -0.848 -1.705 87 H ASP 14 H ASP 14 -13.300 -2.607 -0.599 88 HA ASP 14 HA ASP 14 -14.794 -3.173 1.878 89 HB2 ASP 14 HB2 ASP 14 -15.383 -4.776 0.168 90 HB3 ASP 14 HB3 ASP 14 -13.685 -5.088 -0.182 91 H PHE 15 H PHE 15 -11.879 -4.608 0.444 92 HA PHE 15 HA PHE 15 -10.467 -4.016 2.960 93 HB2 PHE 15 HB2 PHE 15 -10.321 -6.372 1.098 94 HB3 PHE 15 HB3 PHE 15 -8.992 -5.999 2.190 95 HD1 PHE 15 HD2 PHE 15 -10.091 -5.306 4.669 96 HD2 PHE 15 HD1 PHE 15 -11.584 -8.122 1.848 97 HE1 PHE 15 HE2 PHE 15 -11.243 -6.505 6.482 98 HE2 PHE 15 HE1 PHE 15 -12.740 -9.325 3.657 99 HZ PHE 15 HZ PHE 15 -12.569 -8.518 5.977 100 HA PRO 16 HA PRO 16 -7.581 -1.720 0.487 101 HB2 PRO 16 HB2 PRO 16 -5.304 -1.719 2.054 102 HB3 PRO 16 HB3 PRO 16 -6.848 -1.029 2.645 103 HG2 PRO 16 HG2 PRO 16 -5.824 -3.853 3.181 104 HG3 PRO 16 HG3 PRO 16 -6.328 -2.631 4.408 105 HD2 PRO 16 HD2 PRO 16 -8.062 -4.508 3.621 106 HD3 PRO 16 HD3 PRO 16 -8.629 -2.807 3.824 107 H ILE 17 H ILE 17 -5.165 -1.929 -0.472 108 HA ILE 17 HA ILE 17 -5.117 -4.686 -1.664 109 HB ILE 17 HB ILE 17 -4.114 -2.047 -2.836 110 HG12 ILE 17 HG12 ILE 17 -6.531 -1.846 -2.606 111 HG13 ILE 17 HG13 ILE 17 -6.078 -2.061 -4.307 112 HG21 ILE 17 HG21 ILE 17 -4.043 -3.354 -4.983 113 HG22 ILE 17 HG22 ILE 17 -2.911 -3.975 -3.758 114 HG23 ILE 17 HG23 ILE 17 -4.429 -4.847 -4.079 115 HD11 ILE 17 HD11 ILE 17 -8.116 -3.346 -3.797 116 HD12 ILE 17 HD12 ILE 17 -6.808 -4.494 -4.173 117 HD13 ILE 17 HD13 ILE 17 -7.315 -4.225 -2.476 118 H SER 18 H SER 18 -2.739 -1.974 -0.868 119 HA SER 18 HA SER 18 -0.621 -4.081 -0.992 120 HB2 SER 18 HB2 SER 18 0.926 -2.295 -1.342 121 HB3 SER 18 HB3 SER 18 -0.494 -1.838 -2.311 122 HG SER 18 HG SER 18 -1.037 -0.420 -0.412 123 H PHE 19 H PHE 19 1.311 -3.527 0.727 124 HA PHE 19 HA PHE 19 0.085 -2.813 3.336 125 HB2 PHE 19 HB2 PHE 19 1.634 -5.401 2.859 126 HB3 PHE 19 HB3 PHE 19 0.724 -4.975 4.334 127 HD1 PHE 19 HD1 PHE 19 -1.831 -4.820 4.191 128 HD2 PHE 19 HD2 PHE 19 0.548 -6.419 0.972 129 HE1 PHE 19 HE1 PHE 19 -3.869 -5.769 3.144 130 HE2 PHE 19 HE2 PHE 19 -1.469 -7.453 -0.006 131 HZ PHE 19 HZ PHE 19 -3.692 -7.098 1.051 132 H TYR 20 H TYR 20 1.989 -3.135 5.129 133 HA TYR 20 HA TYR 20 3.491 -0.803 4.375 134 HB2 TYR 20 HB2 TYR 20 2.654 -1.729 6.821 135 HB3 TYR 20 HB3 TYR 20 4.305 -2.360 6.859 136 HD1 TYR 20 HD1 TYR 20 2.167 0.662 6.149 137 HD2 TYR 20 HD2 TYR 20 5.961 -0.690 7.655 138 HE1 TYR 20 HE1 TYR 20 2.792 2.996 6.669 139 HE2 TYR 20 HE2 TYR 20 6.562 1.628 8.226 140 HH TYR 20 HH TYR 20 5.893 3.922 8.178 141 H GLY 21 H GLY 21 6.070 -0.818 5.048 142 HA2 GLY 21 HA3 GLY 21 8.122 -2.104 4.928 143 HA3 GLY 21 HA2 GLY 21 7.321 -3.290 3.876 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.251 -0.510 0.674 2 HA2 GLY 1 HA3 GLY 1 2.083 0.283 -1.470 3 HA3 GLY 1 HA2 GLY 1 3.496 1.008 -0.677 4 H GLY 2 H GLY 2 4.384 -0.961 1.113 5 HA2 GLY 2 HA3 GLY 2 5.658 -2.779 -0.780 6 HA3 GLY 2 HA2 GLY 2 5.877 -2.737 0.982 7 H ALA 3 H ALA 3 5.799 -5.170 0.870 8 HA ALA 3 HA ALA 3 2.954 -6.182 0.645 9 HB1 ALA 3 HB1 ALA 3 4.481 -7.040 -1.151 10 HB2 ALA 3 HB2 ALA 3 5.588 -7.655 0.113 11 HB3 ALA 3 HB3 ALA 3 3.938 -8.335 -0.042 12 H GLY 4 H GLY 4 3.896 -4.865 3.034 13 HA2 GLY 4 HA3 GLY 4 4.842 -6.972 4.844 14 HA3 GLY 4 HA2 GLY 4 4.403 -5.309 5.253 15 H HIS 5 H HIS 5 2.991 -5.832 6.968 16 HA HIS 5 HA HIS 5 0.826 -7.758 6.466 17 HB2 HIS 5 HB2 HIS 5 2.349 -7.020 8.956 18 HB3 HIS 5 HB3 HIS 5 0.809 -7.871 9.039 19 HD1 HIS 5 HD1 HIS 5 3.855 -8.884 9.728 20 HD2 HIS 5 HD2 HIS 5 1.412 -9.994 6.556 21 HE1 HIS 5 HE1 HIS 5 4.696 -11.136 8.987 22 H VAL 6 H VAL 6 1.420 -4.310 7.292 23 HA VAL 6 HA VAL 6 -1.337 -4.085 8.395 24 HB VAL 6 HB VAL 6 1.116 -2.264 8.614 25 HG11 VAL 6 HG11 VAL 6 -0.168 -0.977 10.272 26 HG12 VAL 6 HG12 VAL 6 -1.061 -0.992 8.730 27 HG13 VAL 6 HG13 VAL 6 -1.577 -2.050 10.083 28 HG21 VAL 6 HG21 VAL 6 -0.164 -4.154 10.687 29 HG22 VAL 6 HG22 VAL 6 1.419 -4.397 9.898 30 HG23 VAL 6 HG23 VAL 6 1.181 -3.021 11.004 31 HA PRO 7 HA PRO 7 -1.871 -2.278 4.303 32 HB2 PRO 7 HB2 PRO 7 -4.265 -0.947 4.490 33 HB3 PRO 7 HB3 PRO 7 -4.088 -2.735 4.604 34 HG2 PRO 7 HG2 PRO 7 -4.156 -0.787 6.964 35 HG3 PRO 7 HG3 PRO 7 -5.283 -2.163 6.690 36 HD2 PRO 7 HD2 PRO 7 -3.120 -2.509 8.282 37 HD3 PRO 7 HD3 PRO 7 -3.480 -3.797 7.069 38 H GLU 8 H GLU 8 -1.422 -0.297 3.136 39 HA GLU 8 HA GLU 8 -0.256 1.841 4.810 40 HB2 GLU 8 HB2 GLU 8 -0.433 1.441 1.753 41 HB3 GLU 8 HB3 GLU 8 0.345 2.833 2.549 42 HG2 GLU 8 HG2 GLU 8 1.964 1.364 3.702 43 HG3 GLU 8 HG3 GLU 8 1.141 -0.092 3.094 44 H TYR 9 H TYR 9 -3.091 1.371 2.544 45 HA TYR 9 HA TYR 9 -4.318 3.795 3.794 46 HB2 TYR 9 HB2 TYR 9 -4.905 4.576 1.406 47 HB3 TYR 9 HB3 TYR 9 -3.175 4.651 1.789 48 HD1 TYR 9 HD1 TYR 9 -5.798 2.456 0.153 49 HD2 TYR 9 HD2 TYR 9 -1.610 3.422 0.426 50 HE1 TYR 9 HE1 TYR 9 -5.303 0.863 -1.671 51 HE2 TYR 9 HE2 TYR 9 -1.140 1.938 -1.473 52 HH TYR 9 HH TYR 9 -2.032 0.332 -3.003 53 H PHE 10 H PHE 10 -6.736 3.963 2.904 54 HA PHE 10 HA PHE 10 -7.745 1.171 2.491 55 HB2 PHE 10 HB2 PHE 10 -8.881 3.341 4.335 56 HB3 PHE 10 HB3 PHE 10 -9.741 1.851 3.886 57 HD1 PHE 10 HD1 PHE 10 -6.779 3.192 5.741 58 HD2 PHE 10 HD2 PHE 10 -8.938 -0.370 4.665 59 HE1 PHE 10 HE1 PHE 10 -5.759 1.991 7.654 60 HE2 PHE 10 HE2 PHE 10 -7.934 -1.562 6.588 61 HZ PHE 10 HZ PHE 10 -6.433 -0.346 8.155 62 H VAL 11 H VAL 11 -9.464 1.003 1.048 63 HA VAL 11 HA VAL 11 -10.212 3.446 -0.405 64 HB VAL 11 HB VAL 11 -10.633 0.590 -1.286 65 HG11 VAL 11 HG11 VAL 11 -11.040 3.268 -2.548 66 HG12 VAL 11 HG12 VAL 11 -10.668 1.866 -3.553 67 HG13 VAL 11 HG13 VAL 11 -12.105 1.863 -2.530 68 HG21 VAL 11 HG21 VAL 11 -8.341 2.475 -1.747 69 HG22 VAL 11 HG22 VAL 11 -8.298 0.805 -1.181 70 HG23 VAL 11 HG23 VAL 11 -8.702 1.156 -2.861 71 H ARG 12 H ARG 12 -12.471 3.502 -1.252 72 HA ARG 12 HA ARG 12 -14.306 3.091 0.918 73 HB2 ARG 12 HB2 ARG 12 -14.686 4.154 -1.884 74 HB3 ARG 12 HB3 ARG 12 -15.971 4.077 -0.687 75 HG2 ARG 12 HG2 ARG 12 -14.769 5.596 0.757 76 HG3 ARG 12 HG3 ARG 12 -13.404 5.615 -0.361 77 HD2 ARG 12 HD2 ARG 12 -14.383 7.121 -1.690 78 HD3 ARG 12 HD3 ARG 12 -15.927 6.271 -1.650 79 HE ARG 12 HE ARG 12 -16.637 7.741 -0.057 80 HH11 ARG 12 HH11 ARG 12 -13.160 7.831 -0.190 81 HH12 ARG 12 HH12 ARG 12 -13.021 9.156 0.917 82 HH21 ARG 12 HH21 ARG 12 -16.468 9.487 1.402 83 HH22 ARG 12 HH22 ARG 12 -14.904 10.097 1.823 84 H GLY 13 H GLY 13 -13.108 0.728 -0.465 85 HA2 GLY 13 HA3 GLY 13 -15.533 -0.520 -1.571 86 HA3 GLY 13 HA2 GLY 13 -13.891 -1.107 -1.793 87 H ASP 14 H ASP 14 -13.366 -2.842 -0.656 88 HA ASP 14 HA ASP 14 -14.855 -3.381 1.830 89 HB2 ASP 14 HB2 ASP 14 -15.421 -5.019 0.143 90 HB3 ASP 14 HB3 ASP 14 -13.718 -5.322 -0.191 91 H PHE 15 H PHE 15 -11.921 -4.804 0.421 92 HA PHE 15 HA PHE 15 -10.520 -4.159 2.931 93 HB2 PHE 15 HB2 PHE 15 -10.336 -6.533 1.094 94 HB3 PHE 15 HB3 PHE 15 -9.015 -6.128 2.185 95 HD1 PHE 15 HD1 PHE 15 -10.188 -5.385 4.642 96 HD2 PHE 15 HD2 PHE 15 -11.513 -8.333 1.873 97 HE1 PHE 15 HE1 PHE 15 -11.326 -6.581 6.466 98 HE2 PHE 15 HE2 PHE 15 -12.654 -9.534 3.693 99 HZ PHE 15 HZ PHE 15 -12.562 -8.658 5.993 100 HA PRO 16 HA PRO 16 -7.698 -1.796 0.487 101 HB2 PRO 16 HB2 PRO 16 -5.400 -1.789 2.035 102 HB3 PRO 16 HB3 PRO 16 -6.946 -1.121 2.642 103 HG2 PRO 16 HG2 PRO 16 -5.893 -3.944 3.139 104 HG3 PRO 16 HG3 PRO 16 -6.399 -2.740 4.384 105 HD2 PRO 16 HD2 PRO 16 -8.121 -4.614 3.609 106 HD3 PRO 16 HD3 PRO 16 -8.704 -2.915 3.794 107 H ILE 17 H ILE 17 -5.282 -1.922 -0.474 108 HA ILE 17 HA ILE 17 -5.253 -4.597 -1.830 109 HB ILE 17 HB ILE 17 -4.259 -1.875 -2.772 110 HG12 ILE 17 HG12 ILE 17 -6.742 -3.493 -3.606 111 HG13 ILE 17 HG13 ILE 17 -6.761 -2.055 -2.556 112 HG21 ILE 17 HG21 ILE 17 -3.869 -3.003 -4.963 113 HG22 ILE 17 HG22 ILE 17 -2.931 -3.822 -3.710 114 HG23 ILE 17 HG23 ILE 17 -4.450 -4.555 -4.295 115 HD11 ILE 17 HD11 ILE 17 -5.752 -0.681 -4.432 116 HD12 ILE 17 HD12 ILE 17 -5.961 -2.085 -5.526 117 HD13 ILE 17 HD13 ILE 17 -7.382 -1.325 -4.776 118 H SER 18 H SER 18 -2.824 -1.989 -0.865 119 HA SER 18 HA SER 18 -0.740 -4.137 -1.014 120 HB2 SER 18 HB2 SER 18 0.823 -2.402 -1.398 121 HB3 SER 18 HB3 SER 18 -0.590 -1.923 -2.366 122 HG SER 18 HG SER 18 -1.096 -0.456 -0.491 123 H PHE 19 H PHE 19 1.212 -3.581 0.669 124 HA PHE 19 HA PHE 19 0.019 -2.869 3.294 125 HB2 PHE 19 HB2 PHE 19 1.565 -5.448 2.757 126 HB3 PHE 19 HB3 PHE 19 0.736 -5.016 4.277 127 HD1 PHE 19 HD2 PHE 19 -1.810 -4.835 4.285 128 HD2 PHE 19 HD1 PHE 19 0.348 -6.445 0.921 129 HE1 PHE 19 HE2 PHE 19 -3.925 -5.710 3.336 130 HE2 PHE 19 HE1 PHE 19 -1.752 -7.389 0.026 131 HZ PHE 19 HZ PHE 19 -3.905 -6.975 1.197 132 H TYR 20 H TYR 20 1.970 -3.148 5.056 133 HA TYR 20 HA TYR 20 3.309 -0.744 4.270 134 HB2 TYR 20 HB2 TYR 20 2.595 -1.661 6.722 135 HB3 TYR 20 HB3 TYR 20 4.253 -2.284 6.730 136 HD1 TYR 20 HD2 TYR 20 2.070 0.719 6.151 137 HD2 TYR 20 HD1 TYR 20 5.988 -0.600 7.340 138 HE1 TYR 20 HE2 TYR 20 2.689 3.046 6.652 139 HE2 TYR 20 HE1 TYR 20 6.604 1.739 7.867 140 HH TYR 20 HH TYR 20 4.400 4.514 7.445 141 H GLY 21 H GLY 21 5.828 -0.418 4.616 142 HA2 GLY 21 HA3 GLY 21 7.403 -2.847 3.977 143 HA3 GLY 21 HA2 GLY 21 7.306 -1.592 2.702 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.250 -0.615 0.605 2 HA2 GLY 1 HA3 GLY 1 2.242 0.107 -1.493 3 HA3 GLY 1 HA2 GLY 1 3.610 0.818 -0.627 4 H GLY 2 H GLY 2 4.490 -1.115 1.154 5 HA2 GLY 2 HA3 GLY 2 5.778 -2.956 -0.693 6 HA3 GLY 2 HA2 GLY 2 5.960 -2.918 1.075 7 H ALA 3 H ALA 3 5.907 -5.366 0.874 8 HA ALA 3 HA ALA 3 3.062 -6.367 0.642 9 HB1 ALA 3 HB1 ALA 3 4.621 -7.232 -1.130 10 HB2 ALA 3 HB2 ALA 3 5.710 -7.849 0.148 11 HB3 ALA 3 HB3 ALA 3 4.063 -8.527 -0.028 12 H GLY 4 H GLY 4 3.978 -5.049 3.038 13 HA2 GLY 4 HA3 GLY 4 4.909 -7.159 4.858 14 HA3 GLY 4 HA2 GLY 4 4.501 -5.487 5.255 15 H HIS 5 H HIS 5 3.082 -5.957 6.971 16 HA HIS 5 HA HIS 5 0.914 -7.894 6.522 17 HB2 HIS 5 HB2 HIS 5 2.484 -7.139 8.978 18 HB3 HIS 5 HB3 HIS 5 0.948 -7.992 9.096 19 HD1 HIS 5 HD1 HIS 5 4.513 -8.456 8.115 20 HD2 HIS 5 HD2 HIS 5 1.000 -10.671 8.235 21 HE1 HIS 5 HE1 HIS 5 5.214 -10.848 7.782 22 H VAL 6 H VAL 6 1.507 -4.436 7.307 23 HA VAL 6 HA VAL 6 -1.244 -4.210 8.435 24 HB VAL 6 HB VAL 6 1.200 -2.379 8.621 25 HG11 VAL 6 HG11 VAL 6 -0.082 -1.090 10.284 26 HG12 VAL 6 HG12 VAL 6 -0.986 -1.124 8.749 27 HG13 VAL 6 HG13 VAL 6 -1.485 -2.175 10.114 28 HG21 VAL 6 HG21 VAL 6 -0.051 -4.265 10.717 29 HG22 VAL 6 HG22 VAL 6 1.529 -4.497 9.917 30 HG23 VAL 6 HG23 VAL 6 1.287 -3.118 11.019 31 HA PRO 7 HA PRO 7 -1.836 -2.443 4.332 32 HB2 PRO 7 HB2 PRO 7 -4.204 -1.070 4.553 33 HB3 PRO 7 HB3 PRO 7 -4.062 -2.861 4.665 34 HG2 PRO 7 HG2 PRO 7 -4.032 -0.915 7.023 35 HG3 PRO 7 HG3 PRO 7 -5.206 -2.252 6.776 36 HD2 PRO 7 HD2 PRO 7 -3.028 -2.662 8.323 37 HD3 PRO 7 HD3 PRO 7 -3.420 -3.935 7.103 38 H GLU 8 H GLU 8 -1.388 -0.453 3.155 39 HA GLU 8 HA GLU 8 -0.153 1.657 4.822 40 HB2 GLU 8 HB2 GLU 8 -0.347 1.263 1.771 41 HB3 GLU 8 HB3 GLU 8 0.477 2.631 2.565 42 HG2 GLU 8 HG2 GLU 8 2.026 1.101 3.738 43 HG3 GLU 8 HG3 GLU 8 1.182 -0.321 3.085 44 H TYR 9 H TYR 9 -3.028 1.248 2.591 45 HA TYR 9 HA TYR 9 -4.178 3.700 3.844 46 HB2 TYR 9 HB2 TYR 9 -4.729 4.500 1.425 47 HB3 TYR 9 HB3 TYR 9 -3.025 4.609 1.901 48 HD1 TYR 9 HD2 TYR 9 -5.490 2.349 0.121 49 HD2 TYR 9 HD1 TYR 9 -1.357 3.451 0.615 50 HE1 TYR 9 HE2 TYR 9 -4.864 0.816 -1.704 51 HE2 TYR 9 HE1 TYR 9 -0.747 1.997 -1.275 52 HH TYR 9 HH TYR 9 -3.103 0.212 -3.240 53 H PHE 10 H PHE 10 -6.564 3.973 2.926 54 HA PHE 10 HA PHE 10 -7.714 1.216 2.598 55 HB2 PHE 10 HB2 PHE 10 -8.734 3.482 4.406 56 HB3 PHE 10 HB3 PHE 10 -9.538 1.920 4.132 57 HD1 PHE 10 HD1 PHE 10 -6.494 3.574 5.578 58 HD2 PHE 10 HD2 PHE 10 -8.610 -0.150 5.156 59 HE1 PHE 10 HE1 PHE 10 -5.217 2.630 7.475 60 HE2 PHE 10 HE2 PHE 10 -7.413 -1.051 7.124 61 HZ PHE 10 HZ PHE 10 -5.754 0.358 8.326 62 H VAL 11 H VAL 11 -9.331 1.172 0.980 63 HA VAL 11 HA VAL 11 -10.137 3.753 -0.170 64 HB VAL 11 HB VAL 11 -10.562 1.009 -1.354 65 HG11 VAL 11 HG11 VAL 11 -10.662 2.533 -3.462 66 HG12 VAL 11 HG12 VAL 11 -12.074 2.399 -2.412 67 HG13 VAL 11 HG13 VAL 11 -11.019 3.808 -2.297 68 HG21 VAL 11 HG21 VAL 11 -8.674 1.668 -2.880 69 HG22 VAL 11 HG22 VAL 11 -8.320 2.981 -1.756 70 HG23 VAL 11 HG23 VAL 11 -8.206 1.305 -1.218 71 H ARG 12 H ARG 12 -12.420 3.875 -0.950 72 HA ARG 12 HA ARG 12 -14.192 3.225 1.209 73 HB2 ARG 12 HB2 ARG 12 -14.634 4.563 -1.461 74 HB3 ARG 12 HB3 ARG 12 -15.913 4.321 -0.279 75 HG2 ARG 12 HG2 ARG 12 -14.737 5.699 1.325 76 HG3 ARG 12 HG3 ARG 12 -13.386 5.884 0.205 77 HD2 ARG 12 HD2 ARG 12 -14.784 7.855 0.136 78 HD3 ARG 12 HD3 ARG 12 -14.895 6.989 -1.396 79 HE ARG 12 HE ARG 12 -16.985 6.045 0.094 80 HH11 ARG 12 HH11 ARG 12 -15.919 9.182 -0.975 81 HH12 ARG 12 HH12 ARG 12 -17.519 9.845 -1.048 82 HH21 ARG 12 HH21 ARG 12 -19.095 6.906 0.003 83 HH22 ARG 12 HH22 ARG 12 -19.324 8.550 -0.490 84 H GLY 13 H GLY 13 -13.035 0.975 -0.277 85 HA2 GLY 13 HA3 GLY 13 -15.434 -0.172 -1.539 86 HA3 GLY 13 HA2 GLY 13 -13.791 -0.757 -1.757 87 H ASP 14 H ASP 14 -13.303 -2.565 -0.721 88 HA ASP 14 HA ASP 14 -14.867 -3.259 1.679 89 HB2 ASP 14 HB2 ASP 14 -15.368 -4.764 -0.168 90 HB3 ASP 14 HB3 ASP 14 -13.652 -5.091 -0.399 91 H PHE 15 H PHE 15 -11.890 -4.581 0.258 92 HA PHE 15 HA PHE 15 -10.542 -4.049 2.824 93 HB2 PHE 15 HB2 PHE 15 -10.409 -6.431 0.993 94 HB3 PHE 15 HB3 PHE 15 -9.094 -6.072 2.107 95 HD1 PHE 15 HD2 PHE 15 -10.297 -5.275 4.539 96 HD2 PHE 15 HD1 PHE 15 -11.653 -8.194 1.754 97 HE1 PHE 15 HE2 PHE 15 -11.511 -6.426 6.343 98 HE2 PHE 15 HE1 PHE 15 -12.870 -9.350 3.553 99 HZ PHE 15 HZ PHE 15 -12.799 -8.467 5.851 100 HA PRO 16 HA PRO 16 -7.578 -1.816 0.416 101 HB2 PRO 16 HB2 PRO 16 -5.317 -1.860 2.011 102 HB3 PRO 16 HB3 PRO 16 -6.856 -1.141 2.577 103 HG2 PRO 16 HG2 PRO 16 -5.901 -3.994 3.116 104 HG3 PRO 16 HG3 PRO 16 -6.379 -2.767 4.345 105 HD2 PRO 16 HD2 PRO 16 -8.172 -4.587 3.541 106 HD3 PRO 16 HD3 PRO 16 -8.687 -2.866 3.718 107 H ILE 17 H ILE 17 -5.134 -2.051 -0.484 108 HA ILE 17 HA ILE 17 -5.169 -4.755 -1.789 109 HB ILE 17 HB ILE 17 -4.102 -2.072 -2.776 110 HG12 ILE 17 HG12 ILE 17 -6.599 -3.671 -3.619 111 HG13 ILE 17 HG13 ILE 17 -6.610 -2.214 -2.596 112 HG21 ILE 17 HG21 ILE 17 -4.311 -4.776 -4.240 113 HG22 ILE 17 HG22 ILE 17 -3.700 -3.246 -4.934 114 HG23 ILE 17 HG23 ILE 17 -2.790 -4.050 -3.650 115 HD11 ILE 17 HD11 ILE 17 -7.189 -1.523 -4.848 116 HD12 ILE 17 HD12 ILE 17 -5.558 -0.890 -4.490 117 HD13 ILE 17 HD13 ILE 17 -5.766 -2.317 -5.555 118 H SER 18 H SER 18 -2.675 -2.179 -0.842 119 HA SER 18 HA SER 18 -0.658 -4.414 -0.864 120 HB2 SER 18 HB2 SER 18 0.926 -2.520 -1.264 121 HB3 SER 18 HB3 SER 18 -0.381 -2.574 -2.487 122 HG SER 18 HG SER 18 -0.173 -0.395 -1.603 123 H PHE 19 H PHE 19 1.303 -3.798 0.755 124 HA PHE 19 HA PHE 19 0.102 -2.931 3.338 125 HB2 PHE 19 HB2 PHE 19 1.627 -5.544 2.906 126 HB3 PHE 19 HB3 PHE 19 0.752 -5.068 4.385 127 HD1 PHE 19 HD1 PHE 19 -1.792 -4.936 4.318 128 HD2 PHE 19 HD2 PHE 19 0.486 -6.542 1.032 129 HE1 PHE 19 HE1 PHE 19 -3.867 -5.844 3.312 130 HE2 PHE 19 HE2 PHE 19 -1.569 -7.534 0.091 131 HZ PHE 19 HZ PHE 19 -3.761 -7.147 1.199 132 H TYR 20 H TYR 20 2.037 -3.217 5.119 133 HA TYR 20 HA TYR 20 3.478 -0.890 4.312 134 HB2 TYR 20 HB2 TYR 20 2.779 -1.843 6.801 135 HB3 TYR 20 HB3 TYR 20 4.462 -2.384 6.764 136 HD1 TYR 20 HD1 TYR 20 2.127 0.510 6.175 137 HD2 TYR 20 HD2 TYR 20 6.092 -0.622 7.399 138 HE1 TYR 20 HE1 TYR 20 2.648 2.871 6.633 139 HE2 TYR 20 HE2 TYR 20 6.609 1.748 7.885 140 HH TYR 20 HH TYR 20 4.301 4.424 7.388 141 H GLY 21 H GLY 21 6.041 -0.725 4.747 142 HA2 GLY 21 HA3 GLY 21 7.426 -3.220 3.884 143 HA3 GLY 21 HA2 GLY 21 7.490 -1.801 2.796 Start of MODEL 12 1 H1 GLY 1 H GLY 1 1.168 -0.554 0.610 2 HA2 GLY 1 HA3 GLY 1 2.111 0.173 -1.526 3 HA3 GLY 1 HA2 GLY 1 3.481 0.905 -0.684 4 H GLY 2 H GLY 2 4.385 -1.000 1.121 5 HA2 GLY 2 HA3 GLY 2 5.696 -2.837 -0.722 6 HA3 GLY 2 HA2 GLY 2 5.892 -2.771 1.042 7 H ALA 3 H ALA 3 5.919 -5.219 0.805 8 HA ALA 3 HA ALA 3 3.119 -6.333 0.586 9 HB1 ALA 3 HB1 ALA 3 4.213 -8.461 0.032 10 HB2 ALA 3 HB2 ALA 3 4.775 -7.190 -1.095 11 HB3 ALA 3 HB3 ALA 3 5.833 -7.726 0.244 12 H GLY 4 H GLY 4 3.966 -4.898 2.997 13 HA2 GLY 4 HA3 GLY 4 4.910 -6.932 4.879 14 HA3 GLY 4 HA2 GLY 4 4.420 -5.273 5.238 15 H HIS 5 H HIS 5 3.070 -5.841 6.980 16 HA HIS 5 HA HIS 5 0.928 -7.802 6.523 17 HB2 HIS 5 HB2 HIS 5 2.478 -7.025 8.985 18 HB3 HIS 5 HB3 HIS 5 0.955 -7.902 9.096 19 HD1 HIS 5 HD1 HIS 5 4.199 -8.727 9.528 20 HD2 HIS 5 HD2 HIS 5 1.385 -10.159 6.828 21 HE1 HIS 5 HE1 HIS 5 5.024 -11.001 8.840 22 H VAL 6 H VAL 6 1.472 -4.336 7.315 23 HA VAL 6 HA VAL 6 -1.288 -4.153 8.435 24 HB VAL 6 HB VAL 6 1.147 -2.313 8.680 25 HG11 VAL 6 HG11 VAL 6 -1.555 -2.145 10.143 26 HG12 VAL 6 HG12 VAL 6 -0.157 -1.060 10.349 27 HG13 VAL 6 HG13 VAL 6 -1.044 -1.066 8.804 28 HG21 VAL 6 HG21 VAL 6 1.468 -4.456 9.939 29 HG22 VAL 6 HG22 VAL 6 1.211 -3.097 11.062 30 HG23 VAL 6 HG23 VAL 6 -0.121 -4.240 10.727 31 HA PRO 7 HA PRO 7 -1.868 -2.348 4.368 32 HB2 PRO 7 HB2 PRO 7 -4.258 -1.005 4.570 33 HB3 PRO 7 HB3 PRO 7 -4.083 -2.794 4.659 34 HG2 PRO 7 HG2 PRO 7 -4.150 -0.885 7.045 35 HG3 PRO 7 HG3 PRO 7 -5.263 -2.268 6.752 36 HD2 PRO 7 HD2 PRO 7 -3.092 -2.609 8.336 37 HD3 PRO 7 HD3 PRO 7 -3.440 -3.885 7.106 38 H GLU 8 H GLU 8 -1.482 -0.360 3.171 39 HA GLU 8 HA GLU 8 -0.242 1.772 4.805 40 HB2 GLU 8 HB2 GLU 8 -0.482 1.352 1.761 41 HB3 GLU 8 HB3 GLU 8 0.324 2.748 2.527 42 HG2 GLU 8 HG2 GLU 8 1.934 1.271 3.678 43 HG3 GLU 8 HG3 GLU 8 1.104 -0.177 3.068 44 H TYR 9 H TYR 9 -3.104 1.345 2.553 45 HA TYR 9 HA TYR 9 -4.325 3.742 3.850 46 HB2 TYR 9 HB2 TYR 9 -4.876 4.579 1.448 47 HB3 TYR 9 HB3 TYR 9 -3.171 4.711 1.922 48 HD1 TYR 9 HD2 TYR 9 -5.602 2.491 0.060 49 HD2 TYR 9 HD1 TYR 9 -1.475 3.566 0.651 50 HE1 TYR 9 HE2 TYR 9 -4.946 0.975 -1.768 51 HE2 TYR 9 HE1 TYR 9 -0.828 2.100 -1.219 52 HH TYR 9 HH TYR 9 -3.153 0.304 -3.224 53 H PHE 10 H PHE 10 -6.715 3.960 2.976 54 HA PHE 10 HA PHE 10 -7.750 1.192 2.463 55 HB2 PHE 10 HB2 PHE 10 -8.868 3.330 4.350 56 HB3 PHE 10 HB3 PHE 10 -9.748 1.868 3.854 57 HD1 PHE 10 HD1 PHE 10 -6.777 3.100 5.765 58 HD2 PHE 10 HD2 PHE 10 -8.995 -0.386 4.573 59 HE1 PHE 10 HE1 PHE 10 -5.797 1.827 7.653 60 HE2 PHE 10 HE2 PHE 10 -8.019 -1.655 6.462 61 HZ PHE 10 HZ PHE 10 -6.523 -0.507 8.085 62 H VAL 11 H VAL 11 -9.444 1.071 0.993 63 HA VAL 11 HA VAL 11 -10.185 3.553 -0.397 64 HB VAL 11 HB VAL 11 -10.608 0.721 -1.355 65 HG11 VAL 11 HG11 VAL 11 -10.627 2.061 -3.587 66 HG12 VAL 11 HG12 VAL 11 -12.071 2.029 -2.574 67 HG13 VAL 11 HG13 VAL 11 -11.004 3.433 -2.546 68 HG21 VAL 11 HG21 VAL 11 -8.336 2.631 -1.868 69 HG22 VAL 11 HG22 VAL 11 -8.251 1.016 -1.165 70 HG23 VAL 11 HG23 VAL 11 -8.666 1.216 -2.868 71 H ARG 12 H ARG 12 -12.443 3.627 -1.253 72 HA ARG 12 HA ARG 12 -14.285 3.176 0.901 73 HB2 ARG 12 HB2 ARG 12 -14.833 4.164 -1.904 74 HB3 ARG 12 HB3 ARG 12 -15.916 4.293 -0.524 75 HG2 ARG 12 HG2 ARG 12 -14.420 5.814 0.578 76 HG3 ARG 12 HG3 ARG 12 -13.207 5.593 -0.684 77 HD2 ARG 12 HD2 ARG 12 -14.115 7.439 -1.580 78 HD3 ARG 12 HD3 ARG 12 -15.372 6.340 -2.147 79 HE ARG 12 HE ARG 12 -16.831 7.330 -0.695 80 HH11 ARG 12 HH11 ARG 12 -13.579 8.124 0.258 81 HH12 ARG 12 HH12 ARG 12 -14.072 9.250 1.479 82 HH21 ARG 12 HH21 ARG 12 -17.494 8.810 0.909 83 HH22 ARG 12 HH22 ARG 12 -16.299 9.639 1.849 84 H GLY 13 H GLY 13 -13.082 0.829 -0.485 85 HA2 GLY 13 HA3 GLY 13 -15.492 -0.408 -1.633 86 HA3 GLY 13 HA2 GLY 13 -13.849 -0.995 -1.838 87 H ASP 14 H ASP 14 -13.341 -2.740 -0.709 88 HA ASP 14 HA ASP 14 -14.861 -3.295 1.756 89 HB2 ASP 14 HB2 ASP 14 -15.410 -4.914 0.041 90 HB3 ASP 14 HB3 ASP 14 -13.704 -5.228 -0.262 91 H PHE 15 H PHE 15 -11.917 -4.718 0.368 92 HA PHE 15 HA PHE 15 -10.536 -4.081 2.891 93 HB2 PHE 15 HB2 PHE 15 -10.365 -6.473 1.078 94 HB3 PHE 15 HB3 PHE 15 -9.047 -6.074 2.175 95 HD1 PHE 15 HD2 PHE 15 -10.180 -5.329 4.627 96 HD2 PHE 15 HD1 PHE 15 -11.622 -8.217 1.852 97 HE1 PHE 15 HE2 PHE 15 -11.347 -6.495 6.452 98 HE2 PHE 15 HE1 PHE 15 -12.792 -9.387 3.673 99 HZ PHE 15 HZ PHE 15 -12.654 -8.527 5.977 100 HA PRO 16 HA PRO 16 -7.642 -1.804 0.433 101 HB2 PRO 16 HB2 PRO 16 -5.371 -1.788 2.012 102 HB3 PRO 16 HB3 PRO 16 -6.922 -1.106 2.592 103 HG2 PRO 16 HG2 PRO 16 -5.891 -3.927 3.133 104 HG3 PRO 16 HG3 PRO 16 -6.394 -2.703 4.358 105 HD2 PRO 16 HD2 PRO 16 -8.133 -4.573 3.581 106 HD3 PRO 16 HD3 PRO 16 -8.699 -2.871 3.761 107 H ILE 17 H ILE 17 -5.190 -2.001 -0.468 108 HA ILE 17 HA ILE 17 -5.193 -4.703 -1.775 109 HB ILE 17 HB ILE 17 -4.129 -2.006 -2.739 110 HG12 ILE 17 HG12 ILE 17 -6.607 -3.609 -3.628 111 HG13 ILE 17 HG13 ILE 17 -6.646 -2.172 -2.578 112 HG21 ILE 17 HG21 ILE 17 -2.800 -3.969 -3.618 113 HG22 ILE 17 HG22 ILE 17 -4.313 -4.702 -4.220 114 HG23 ILE 17 HG23 ILE 17 -3.707 -3.164 -4.902 115 HD11 ILE 17 HD11 ILE 17 -5.586 -0.799 -4.427 116 HD12 ILE 17 HD12 ILE 17 -5.758 -2.205 -5.525 117 HD13 ILE 17 HD13 ILE 17 -7.203 -1.446 -4.821 118 H SER 18 H SER 18 -2.733 -2.119 -0.780 119 HA SER 18 HA SER 18 -0.695 -4.338 -0.788 120 HB2 SER 18 HB2 SER 18 0.865 -2.418 -1.248 121 HB3 SER 18 HB3 SER 18 -0.447 -2.532 -2.460 122 HG SER 18 HG SER 18 -0.286 -0.329 -1.634 123 H PHE 19 H PHE 19 1.273 -3.644 0.812 124 HA PHE 19 HA PHE 19 0.071 -2.691 3.356 125 HB2 PHE 19 HB2 PHE 19 1.610 -5.306 3.133 126 HB3 PHE 19 HB3 PHE 19 0.581 -4.800 4.493 127 HD1 PHE 19 HD2 PHE 19 -1.957 -4.796 4.165 128 HD2 PHE 19 HD1 PHE 19 0.712 -6.412 1.198 129 HE1 PHE 19 HE2 PHE 19 -3.871 -5.863 3.010 130 HE2 PHE 19 HE1 PHE 19 -1.183 -7.551 0.108 131 HZ PHE 19 HZ PHE 19 -3.486 -7.268 0.998 132 H TYR 20 H TYR 20 1.965 -2.992 5.175 133 HA TYR 20 HA TYR 20 3.445 -0.680 4.345 134 HB2 TYR 20 HB2 TYR 20 2.616 -1.554 6.826 135 HB3 TYR 20 HB3 TYR 20 4.287 -2.126 6.886 136 HD1 TYR 20 HD2 TYR 20 2.049 0.797 6.095 137 HD2 TYR 20 HD1 TYR 20 5.897 -0.381 7.612 138 HE1 TYR 20 HE2 TYR 20 2.600 3.166 6.539 139 HE2 TYR 20 HE1 TYR 20 6.427 1.972 8.101 140 HH TYR 20 HH TYR 20 5.683 4.241 7.986 141 H GLY 21 H GLY 21 6.027 -0.619 5.041 142 HA2 GLY 21 HA3 GLY 21 8.137 -1.639 4.842 143 HA3 GLY 21 HA2 GLY 21 7.369 -3.147 4.308 Start of MODEL 13 1 H1 GLY 1 H GLY 1 1.212 -0.571 0.606 2 HA2 GLY 1 HA3 GLY 1 2.149 0.170 -1.524 3 HA3 GLY 1 HA2 GLY 1 3.538 0.871 -0.687 4 H GLY 2 H GLY 2 4.429 -1.070 1.084 5 HA2 GLY 2 HA3 GLY 2 5.692 -2.898 -0.803 6 HA3 GLY 2 HA2 GLY 2 5.926 -2.846 0.956 7 H ALA 3 H ALA 3 5.926 -5.290 0.722 8 HA ALA 3 HA ALA 3 3.118 -6.384 0.525 9 HB1 ALA 3 HB1 ALA 3 5.821 -7.794 0.157 10 HB2 ALA 3 HB2 ALA 3 4.196 -8.519 -0.043 11 HB3 ALA 3 HB3 ALA 3 4.755 -7.247 -1.171 12 H GLY 4 H GLY 4 3.976 -4.964 2.932 13 HA2 GLY 4 HA3 GLY 4 4.935 -7.000 4.805 14 HA3 GLY 4 HA2 GLY 4 4.439 -5.345 5.172 15 H HIS 5 H HIS 5 3.108 -5.940 6.924 16 HA HIS 5 HA HIS 5 0.953 -7.885 6.451 17 HB2 HIS 5 HB2 HIS 5 2.516 -7.148 8.916 18 HB3 HIS 5 HB3 HIS 5 0.987 -8.016 9.022 19 HD1 HIS 5 HD1 HIS 5 1.254 -10.464 9.104 20 HD2 HIS 5 HD2 HIS 5 4.379 -8.647 7.056 21 HE1 HIS 5 HE1 HIS 5 2.816 -12.329 8.469 22 H VAL 6 H VAL 6 1.525 -4.433 7.273 23 HA VAL 6 HA VAL 6 -1.224 -4.237 8.417 24 HB VAL 6 HB VAL 6 1.244 -2.441 8.679 25 HG11 VAL 6 HG11 VAL 6 -0.026 -1.193 10.379 26 HG12 VAL 6 HG12 VAL 6 -0.925 -1.158 8.841 27 HG13 VAL 6 HG13 VAL 6 -1.444 -2.250 10.167 28 HG21 VAL 6 HG21 VAL 6 -0.044 -4.382 10.701 29 HG22 VAL 6 HG22 VAL 6 1.536 -4.609 9.900 30 HG23 VAL 6 HG23 VAL 6 1.309 -3.266 11.048 31 HA PRO 7 HA PRO 7 -1.796 -2.361 4.388 32 HB2 PRO 7 HB2 PRO 7 -4.162 -0.988 4.617 33 HB3 PRO 7 HB3 PRO 7 -4.010 -2.780 4.702 34 HG2 PRO 7 HG2 PRO 7 -4.020 -0.877 7.094 35 HG3 PRO 7 HG3 PRO 7 -5.172 -2.230 6.807 36 HD2 PRO 7 HD2 PRO 7 -2.995 -2.640 8.365 37 HD3 PRO 7 HD3 PRO 7 -3.380 -3.894 7.123 38 H GLU 8 H GLU 8 -1.428 -0.362 3.199 39 HA GLU 8 HA GLU 8 -0.140 1.747 4.833 40 HB2 GLU 8 HB2 GLU 8 -0.406 1.340 1.788 41 HB3 GLU 8 HB3 GLU 8 0.423 2.721 2.554 42 HG2 GLU 8 HG2 GLU 8 2.021 1.216 3.687 43 HG3 GLU 8 HG3 GLU 8 1.169 -0.217 3.072 44 H TYR 9 H TYR 9 -3.008 1.365 2.575 45 HA TYR 9 HA TYR 9 -4.216 3.750 3.907 46 HB2 TYR 9 HB2 TYR 9 -4.759 4.628 1.519 47 HB3 TYR 9 HB3 TYR 9 -3.052 4.740 1.993 48 HD1 TYR 9 HD1 TYR 9 -5.503 2.581 0.090 49 HD2 TYR 9 HD2 TYR 9 -1.364 3.588 0.714 50 HE1 TYR 9 HE1 TYR 9 -4.862 1.089 -1.761 51 HE2 TYR 9 HE2 TYR 9 -0.729 2.134 -1.171 52 HH TYR 9 HH TYR 9 -3.073 0.371 -3.192 53 H PHE 10 H PHE 10 -6.607 3.989 3.033 54 HA PHE 10 HA PHE 10 -7.656 1.226 2.519 55 HB2 PHE 10 HB2 PHE 10 -8.772 3.374 4.395 56 HB3 PHE 10 HB3 PHE 10 -9.631 1.891 3.929 57 HD1 PHE 10 HD1 PHE 10 -6.677 3.210 5.806 58 HD2 PHE 10 HD2 PHE 10 -8.818 -0.342 4.669 59 HE1 PHE 10 HE1 PHE 10 -5.653 1.983 7.699 60 HE2 PHE 10 HE2 PHE 10 -7.805 -1.563 6.569 61 HZ PHE 10 HZ PHE 10 -6.318 -0.364 8.161 62 H VAL 11 H VAL 11 -9.356 1.111 1.046 63 HA VAL 11 HA VAL 11 -10.096 3.606 -0.321 64 HB VAL 11 HB VAL 11 -10.531 0.784 -1.302 65 HG11 VAL 11 HG11 VAL 11 -10.547 2.145 -3.523 66 HG12 VAL 11 HG12 VAL 11 -11.990 2.107 -2.508 67 HG13 VAL 11 HG13 VAL 11 -10.920 3.508 -2.467 68 HG21 VAL 11 HG21 VAL 11 -8.592 1.317 -2.828 69 HG22 VAL 11 HG22 VAL 11 -8.242 2.684 -1.770 70 HG23 VAL 11 HG23 VAL 11 -8.179 1.039 -1.136 71 H ARG 12 H ARG 12 -12.357 3.688 -1.174 72 HA ARG 12 HA ARG 12 -14.193 3.229 0.983 73 HB2 ARG 12 HB2 ARG 12 -14.473 4.416 -1.771 74 HB3 ARG 12 HB3 ARG 12 -15.859 4.182 -0.714 75 HG2 ARG 12 HG2 ARG 12 -14.841 5.625 0.962 76 HG3 ARG 12 HG3 ARG 12 -13.430 5.843 -0.075 77 HD2 ARG 12 HD2 ARG 12 -14.483 7.627 -0.901 78 HD3 ARG 12 HD3 ARG 12 -15.545 6.486 -1.724 79 HE ARG 12 HE ARG 12 -16.595 6.826 0.805 80 HH11 ARG 12 HH11 ARG 12 -15.903 8.830 -1.957 81 HH12 ARG 12 HH12 ARG 12 -17.186 9.947 -1.631 82 HH21 ARG 12 HH21 ARG 12 -18.288 8.290 1.244 83 HH22 ARG 12 HH22 ARG 12 -18.542 9.640 0.190 84 H GLY 13 H GLY 13 -12.997 0.888 -0.422 85 HA2 GLY 13 HA3 GLY 13 -15.415 -0.339 -1.564 86 HA3 GLY 13 HA2 GLY 13 -13.773 -0.926 -1.783 87 H ASP 14 H ASP 14 -13.259 -2.678 -0.668 88 HA ASP 14 HA ASP 14 -14.766 -3.250 1.800 89 HB2 ASP 14 HB2 ASP 14 -15.318 -4.858 0.074 90 HB3 ASP 14 HB3 ASP 14 -13.611 -5.170 -0.230 91 H PHE 15 H PHE 15 -11.826 -4.660 0.393 92 HA PHE 15 HA PHE 15 -10.433 -4.029 2.911 93 HB2 PHE 15 HB2 PHE 15 -10.276 -6.423 1.099 94 HB3 PHE 15 HB3 PHE 15 -8.952 -6.025 2.188 95 HD1 PHE 15 HD2 PHE 15 -10.077 -5.272 4.645 96 HD2 PHE 15 HD1 PHE 15 -11.525 -8.169 1.882 97 HE1 PHE 15 HE2 PHE 15 -11.236 -6.435 6.477 98 HE2 PHE 15 HE1 PHE 15 -12.687 -9.336 3.710 99 HZ PHE 15 HZ PHE 15 -12.542 -8.470 6.011 100 HA PRO 16 HA PRO 16 -7.561 -1.745 0.456 101 HB2 PRO 16 HB2 PRO 16 -5.269 -1.749 2.001 102 HB3 PRO 16 HB3 PRO 16 -6.809 -1.053 2.596 103 HG2 PRO 16 HG2 PRO 16 -5.790 -3.875 3.142 104 HG3 PRO 16 HG3 PRO 16 -6.296 -2.648 4.363 105 HD2 PRO 16 HD2 PRO 16 -8.034 -4.522 3.591 106 HD3 PRO 16 HD3 PRO 16 -8.597 -2.819 3.773 107 H ILE 17 H ILE 17 -5.201 -1.914 -0.575 108 HA ILE 17 HA ILE 17 -5.201 -4.623 -1.848 109 HB ILE 17 HB ILE 17 -4.138 -1.930 -2.821 110 HG12 ILE 17 HG12 ILE 17 -5.764 -2.240 -4.670 111 HG13 ILE 17 HG13 ILE 17 -6.381 -3.737 -3.927 112 HG21 ILE 17 HG21 ILE 17 -3.946 -4.704 -4.139 113 HG22 ILE 17 HG22 ILE 17 -3.532 -3.160 -4.934 114 HG23 ILE 17 HG23 ILE 17 -2.570 -3.725 -3.558 115 HD11 ILE 17 HD11 ILE 17 -7.373 -2.445 -2.066 116 HD12 ILE 17 HD12 ILE 17 -6.522 -0.953 -2.587 117 HD13 ILE 17 HD13 ILE 17 -7.828 -1.651 -3.582 118 H SER 18 H SER 18 -2.712 -2.080 -0.848 119 HA SER 18 HA SER 18 -0.706 -4.324 -0.838 120 HB2 SER 18 HB2 SER 18 0.883 -2.415 -1.261 121 HB3 SER 18 HB3 SER 18 -0.419 -2.503 -2.483 122 HG SER 18 HG SER 18 -0.246 -0.311 -1.629 123 H PHE 19 H PHE 19 1.275 -3.681 0.765 124 HA PHE 19 HA PHE 19 0.100 -2.727 3.319 125 HB2 PHE 19 HB2 PHE 19 1.616 -5.354 3.089 126 HB3 PHE 19 HB3 PHE 19 0.579 -4.847 4.442 127 HD1 PHE 19 HD2 PHE 19 -1.960 -4.797 4.079 128 HD2 PHE 19 HD1 PHE 19 0.725 -6.471 1.159 129 HE1 PHE 19 HE2 PHE 19 -3.872 -5.860 2.917 130 HE2 PHE 19 HE1 PHE 19 -1.171 -7.600 0.058 131 HZ PHE 19 HZ PHE 19 -3.479 -7.290 0.925 132 H TYR 20 H TYR 20 2.009 -3.082 5.126 133 HA TYR 20 HA TYR 20 3.506 -0.768 4.318 134 HB2 TYR 20 HB2 TYR 20 2.673 -1.668 6.790 135 HB3 TYR 20 HB3 TYR 20 4.338 -2.255 6.839 136 HD1 TYR 20 HD2 TYR 20 2.124 0.696 6.092 137 HD2 TYR 20 HD1 TYR 20 5.961 -0.533 7.594 138 HE1 TYR 20 HE2 TYR 20 2.680 3.047 6.562 139 HE2 TYR 20 HE1 TYR 20 6.503 1.824 8.110 140 HH TYR 20 HH TYR 20 4.314 4.560 7.429 141 H GLY 21 H GLY 21 6.096 -0.757 5.034 142 HA2 GLY 21 HA3 GLY 21 8.192 -1.783 4.814 143 HA3 GLY 21 HA2 GLY 21 7.403 -3.296 4.326 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.283 -0.579 0.635 2 HA2 GLY 1 HA3 GLY 1 2.224 0.160 -1.498 3 HA3 GLY 1 HA2 GLY 1 3.613 0.860 -0.656 4 H GLY 2 H GLY 2 4.467 -1.085 1.140 5 HA2 GLY 2 HA3 GLY 2 5.745 -2.930 -0.720 6 HA3 GLY 2 HA2 GLY 2 5.945 -2.878 1.044 7 H ALA 3 H ALA 3 5.913 -5.321 0.839 8 HA ALA 3 HA ALA 3 3.088 -6.370 0.605 9 HB1 ALA 3 HB1 ALA 3 4.716 -7.248 -1.096 10 HB2 ALA 3 HB2 ALA 3 5.768 -7.821 0.232 11 HB3 ALA 3 HB3 ALA 3 4.132 -8.518 0.021 12 H GLY 4 H GLY 4 3.998 -4.978 3.024 13 HA2 GLY 4 HA3 GLY 4 4.871 -7.065 4.883 14 HA3 GLY 4 HA2 GLY 4 4.433 -5.397 5.262 15 H HIS 5 H HIS 5 3.042 -5.925 6.981 16 HA HIS 5 HA HIS 5 0.872 -7.850 6.504 17 HB2 HIS 5 HB2 HIS 5 2.420 -7.106 8.977 18 HB3 HIS 5 HB3 HIS 5 0.883 -7.960 9.076 19 HD1 HIS 5 HD1 HIS 5 4.457 -8.418 8.133 20 HD2 HIS 5 HD2 HIS 5 0.944 -10.635 8.199 21 HE1 HIS 5 HE1 HIS 5 5.164 -10.808 7.794 22 H VAL 6 H VAL 6 1.468 -4.400 7.316 23 HA VAL 6 HA VAL 6 -1.296 -4.172 8.420 24 HB VAL 6 HB VAL 6 1.178 -2.382 8.683 25 HG11 VAL 6 HG11 VAL 6 -0.988 -1.088 8.804 26 HG12 VAL 6 HG12 VAL 6 -1.525 -2.160 10.139 27 HG13 VAL 6 HG13 VAL 6 -0.104 -1.106 10.352 28 HG21 VAL 6 HG21 VAL 6 1.214 -3.174 11.063 29 HG22 VAL 6 HG22 VAL 6 -0.140 -4.289 10.718 30 HG23 VAL 6 HG23 VAL 6 1.448 -4.536 9.938 31 HA PRO 7 HA PRO 7 -1.812 -2.325 4.357 32 HB2 PRO 7 HB2 PRO 7 -4.171 -0.932 4.558 33 HB3 PRO 7 HB3 PRO 7 -4.039 -2.725 4.650 34 HG2 PRO 7 HG2 PRO 7 -4.057 -0.812 7.034 35 HG3 PRO 7 HG3 PRO 7 -5.214 -2.158 6.741 36 HD2 PRO 7 HD2 PRO 7 -3.058 -2.573 8.326 37 HD3 PRO 7 HD3 PRO 7 -3.440 -3.834 7.089 38 H GLU 8 H GLU 8 -1.389 -0.331 3.178 39 HA GLU 8 HA GLU 8 -0.112 1.761 4.834 40 HB2 GLU 8 HB2 GLU 8 -0.357 1.375 1.785 41 HB3 GLU 8 HB3 GLU 8 0.473 2.749 2.563 42 HG2 GLU 8 HG2 GLU 8 2.056 1.235 3.701 43 HG3 GLU 8 HG3 GLU 8 1.201 -0.195 3.081 44 H TYR 9 H TYR 9 -2.986 1.407 2.587 45 HA TYR 9 HA TYR 9 -4.162 3.813 3.907 46 HB2 TYR 9 HB2 TYR 9 -4.683 4.693 1.511 47 HB3 TYR 9 HB3 TYR 9 -2.978 4.780 1.994 48 HD1 TYR 9 HD1 TYR 9 -5.452 2.613 0.122 49 HD2 TYR 9 HD2 TYR 9 -1.310 3.647 0.681 50 HE1 TYR 9 HE1 TYR 9 -4.826 1.079 -1.700 51 HE2 TYR 9 HE2 TYR 9 -0.694 2.182 -1.201 52 HH TYR 9 HH TYR 9 -3.044 0.218 -3.041 53 H PHE 10 H PHE 10 -6.549 4.085 2.981 54 HA PHE 10 HA PHE 10 -7.624 1.332 2.474 55 HB2 PHE 10 HB2 PHE 10 -8.729 3.492 4.345 56 HB3 PHE 10 HB3 PHE 10 -9.607 2.023 3.867 57 HD1 PHE 10 HD1 PHE 10 -6.648 3.291 5.771 58 HD2 PHE 10 HD2 PHE 10 -8.837 -0.224 4.608 59 HE1 PHE 10 HE1 PHE 10 -5.655 2.041 7.666 60 HE2 PHE 10 HE2 PHE 10 -7.855 -1.467 6.509 61 HZ PHE 10 HZ PHE 10 -6.357 -0.298 8.114 62 H VAL 11 H VAL 11 -9.321 1.234 1.000 63 HA VAL 11 HA VAL 11 -10.017 3.725 -0.395 64 HB VAL 11 HB VAL 11 -10.486 0.899 -1.349 65 HG11 VAL 11 HG11 VAL 11 -10.482 2.234 -3.584 66 HG12 VAL 11 HG12 VAL 11 -11.927 2.229 -2.571 67 HG13 VAL 11 HG13 VAL 11 -10.835 3.615 -2.546 68 HG21 VAL 11 HG21 VAL 11 -8.191 0.946 -1.358 69 HG22 VAL 11 HG22 VAL 11 -8.533 1.646 -2.940 70 HG23 VAL 11 HG23 VAL 11 -8.118 2.693 -1.584 71 H ARG 12 H ARG 12 -12.272 3.836 -1.255 72 HA ARG 12 HA ARG 12 -14.124 3.414 0.897 73 HB2 ARG 12 HB2 ARG 12 -14.442 4.554 -1.880 74 HB3 ARG 12 HB3 ARG 12 -15.767 4.436 -0.731 75 HG2 ARG 12 HG2 ARG 12 -14.624 5.907 0.802 76 HG3 ARG 12 HG3 ARG 12 -13.213 5.957 -0.256 77 HD2 ARG 12 HD2 ARG 12 -14.113 7.579 -1.484 78 HD3 ARG 12 HD3 ARG 12 -15.596 6.653 -1.712 79 HE ARG 12 HE ARG 12 -15.156 8.789 0.156 80 HH11 ARG 12 HH11 ARG 12 -17.029 5.937 -0.533 81 HH12 ARG 12 HH12 ARG 12 -18.378 6.430 0.437 82 HH21 ARG 12 HH21 ARG 12 -16.924 9.449 1.436 83 HH22 ARG 12 HH22 ARG 12 -18.317 8.428 1.556 84 H GLY 13 H GLY 13 -12.962 1.052 -0.499 85 HA2 GLY 13 HA3 GLY 13 -15.395 -0.135 -1.653 86 HA3 GLY 13 HA2 GLY 13 -13.762 -0.751 -1.863 87 H ASP 14 H ASP 14 -13.282 -2.508 -0.741 88 HA ASP 14 HA ASP 14 -14.813 -3.052 1.718 89 HB2 ASP 14 HB2 ASP 14 -15.383 -4.655 -0.006 90 HB3 ASP 14 HB3 ASP 14 -13.680 -4.992 -0.306 91 H PHE 15 H PHE 15 -11.887 -4.506 0.327 92 HA PHE 15 HA PHE 15 -10.502 -3.903 2.857 93 HB2 PHE 15 HB2 PHE 15 -10.361 -6.290 1.032 94 HB3 PHE 15 HB3 PHE 15 -9.041 -5.915 2.135 95 HD1 PHE 15 HD2 PHE 15 -10.137 -5.189 4.594 96 HD2 PHE 15 HD1 PHE 15 -11.679 -7.995 1.789 97 HE1 PHE 15 HE2 PHE 15 -11.325 -6.347 6.410 98 HE2 PHE 15 HE1 PHE 15 -12.871 -9.157 3.601 99 HZ PHE 15 HZ PHE 15 -12.694 -8.334 5.915 100 HA PRO 16 HA PRO 16 -7.540 -1.709 0.359 101 HB2 PRO 16 HB2 PRO 16 -5.290 -1.698 1.956 102 HB3 PRO 16 HB3 PRO 16 -6.832 -0.978 2.514 103 HG2 PRO 16 HG2 PRO 16 -5.848 -3.804 3.119 104 HG3 PRO 16 HG3 PRO 16 -6.342 -2.549 4.317 105 HD2 PRO 16 HD2 PRO 16 -8.102 -4.420 3.548 106 HD3 PRO 16 HD3 PRO 16 -8.647 -2.709 3.721 107 H ILE 17 H ILE 17 -5.103 -2.004 -0.547 108 HA ILE 17 HA ILE 17 -5.102 -4.797 -1.659 109 HB ILE 17 HB ILE 17 -4.018 -2.211 -2.872 110 HG12 ILE 17 HG12 ILE 17 -6.442 -1.980 -2.713 111 HG13 ILE 17 HG13 ILE 17 -5.941 -2.229 -4.397 112 HG21 ILE 17 HG21 ILE 17 -3.914 -3.575 -4.988 113 HG22 ILE 17 HG22 ILE 17 -2.812 -4.164 -3.721 114 HG23 ILE 17 HG23 ILE 17 -4.328 -5.038 -4.050 115 HD11 ILE 17 HD11 ILE 17 -8.005 -3.487 -3.930 116 HD12 ILE 17 HD12 ILE 17 -6.696 -4.652 -4.245 117 HD13 ILE 17 HD13 ILE 17 -7.254 -4.350 -2.570 118 H SER 18 H SER 18 -2.675 -2.114 -0.856 119 HA SER 18 HA SER 18 -0.597 -4.287 -0.859 120 HB2 SER 18 HB2 SER 18 0.938 -2.353 -1.251 121 HB3 SER 18 HB3 SER 18 -0.374 -2.417 -2.466 122 HG SER 18 HG SER 18 -0.204 -0.250 -1.543 123 H PHE 19 H PHE 19 1.335 -3.636 0.785 124 HA PHE 19 HA PHE 19 0.115 -2.743 3.342 125 HB2 PHE 19 HB2 PHE 19 1.633 -5.367 3.028 126 HB3 PHE 19 HB3 PHE 19 0.671 -4.874 4.441 127 HD1 PHE 19 HD1 PHE 19 -1.875 -4.795 4.218 128 HD2 PHE 19 HD2 PHE 19 0.627 -6.409 1.106 129 HE1 PHE 19 HE1 PHE 19 -3.859 -5.810 3.136 130 HE2 PHE 19 HE2 PHE 19 -1.335 -7.514 0.099 131 HZ PHE 19 HZ PHE 19 -3.590 -7.196 1.092 132 H TYR 20 H TYR 20 1.986 -3.044 5.169 133 HA TYR 20 HA TYR 20 3.510 -0.751 4.361 134 HB2 TYR 20 HB2 TYR 20 2.614 -1.572 6.812 135 HB3 TYR 20 HB3 TYR 20 4.244 -2.248 6.915 136 HD1 TYR 20 HD2 TYR 20 2.203 0.810 6.118 137 HD2 TYR 20 HD1 TYR 20 5.960 -0.606 7.659 138 HE1 TYR 20 HE2 TYR 20 2.873 3.131 6.584 139 HE2 TYR 20 HE1 TYR 20 6.614 1.722 8.174 140 HH TYR 20 HH TYR 20 4.576 4.563 7.454 141 H GLY 21 H GLY 21 6.085 -0.719 5.058 142 HA2 GLY 21 HA3 GLY 21 8.180 -1.767 4.906 143 HA3 GLY 21 HA2 GLY 21 7.395 -3.286 4.433 Start of MODEL 15 1 H1 GLY 1 H GLY 1 1.939 -0.993 0.967 2 HA2 GLY 1 HA3 GLY 1 2.354 0.127 -1.380 3 HA3 GLY 1 HA2 GLY 1 3.831 0.730 -0.571 4 H GLY 2 H GLY 2 4.684 -1.322 1.050 5 HA2 GLY 2 HA3 GLY 2 5.743 -3.170 -0.965 6 HA3 GLY 2 HA2 GLY 2 6.126 -3.147 0.773 7 H ALA 3 H ALA 3 5.926 -5.591 0.589 8 HA ALA 3 HA ALA 3 3.045 -6.471 0.536 9 HB1 ALA 3 HB1 ALA 3 5.639 -8.095 0.150 10 HB2 ALA 3 HB2 ALA 3 3.965 -8.713 0.028 11 HB3 ALA 3 HB3 ALA 3 4.570 -7.524 -1.164 12 H GLY 4 H GLY 4 3.979 -5.036 2.855 13 HA2 GLY 4 HA3 GLY 4 4.916 -6.989 4.808 14 HA3 GLY 4 HA2 GLY 4 4.374 -5.333 5.115 15 H HIS 5 H HIS 5 3.109 -5.986 6.904 16 HA HIS 5 HA HIS 5 0.939 -7.916 6.438 17 HB2 HIS 5 HB2 HIS 5 2.523 -7.198 8.897 18 HB3 HIS 5 HB3 HIS 5 0.989 -8.056 9.009 19 HD1 HIS 5 HD1 HIS 5 3.598 -9.377 9.951 20 HD2 HIS 5 HD2 HIS 5 1.995 -9.836 6.146 21 HE1 HIS 5 HE1 HIS 5 4.544 -11.538 9.079 22 H VAL 6 H VAL 6 1.534 -4.470 7.255 23 HA VAL 6 HA VAL 6 -1.208 -4.256 8.416 24 HB VAL 6 HB VAL 6 1.270 -2.473 8.663 25 HG11 VAL 6 HG11 VAL 6 -0.894 -1.181 8.835 26 HG12 VAL 6 HG12 VAL 6 -1.411 -2.271 10.163 27 HG13 VAL 6 HG13 VAL 6 0.012 -1.219 10.369 28 HG21 VAL 6 HG21 VAL 6 -0.015 -4.407 10.695 29 HG22 VAL 6 HG22 VAL 6 1.561 -4.641 9.886 30 HG23 VAL 6 HG23 VAL 6 1.344 -3.296 11.033 31 HA PRO 7 HA PRO 7 -1.770 -2.362 4.385 32 HB2 PRO 7 HB2 PRO 7 -4.136 -0.992 4.622 33 HB3 PRO 7 HB3 PRO 7 -3.991 -2.785 4.697 34 HG2 PRO 7 HG2 PRO 7 -3.998 -0.892 7.097 35 HG3 PRO 7 HG3 PRO 7 -5.153 -2.240 6.805 36 HD2 PRO 7 HD2 PRO 7 -2.973 -2.655 8.361 37 HD3 PRO 7 HD3 PRO 7 -3.365 -3.910 7.121 38 H GLU 8 H GLU 8 -1.374 -0.348 3.230 39 HA GLU 8 HA GLU 8 -0.078 1.732 4.879 40 HB2 GLU 8 HB2 GLU 8 -0.486 1.435 1.843 41 HB3 GLU 8 HB3 GLU 8 0.359 2.805 2.610 42 HG2 GLU 8 HG2 GLU 8 2.079 1.307 3.541 43 HG3 GLU 8 HG3 GLU 8 1.185 -0.135 3.010 44 H TYR 9 H TYR 9 -2.997 1.393 2.679 45 HA TYR 9 HA TYR 9 -4.170 3.809 4.008 46 HB2 TYR 9 HB2 TYR 9 -4.719 4.646 1.616 47 HB3 TYR 9 HB3 TYR 9 -2.996 4.688 2.033 48 HD1 TYR 9 HD2 TYR 9 -5.607 2.542 0.319 49 HD2 TYR 9 HD1 TYR 9 -1.430 3.532 0.624 50 HE1 TYR 9 HE2 TYR 9 -5.083 0.918 -1.470 51 HE2 TYR 9 HE1 TYR 9 -0.919 1.968 -1.198 52 HH TYR 9 HH TYR 9 -1.775 0.257 -2.635 53 H PHE 10 H PHE 10 -6.577 4.047 3.058 54 HA PHE 10 HA PHE 10 -7.633 1.287 2.581 55 HB2 PHE 10 HB2 PHE 10 -8.738 3.411 4.493 56 HB3 PHE 10 HB3 PHE 10 -9.610 1.942 4.006 57 HD1 PHE 10 HD1 PHE 10 -6.624 3.203 5.876 58 HD2 PHE 10 HD2 PHE 10 -8.829 -0.305 4.725 59 HE1 PHE 10 HE1 PHE 10 -5.596 1.940 7.743 60 HE2 PHE 10 HE2 PHE 10 -7.812 -1.561 6.601 61 HZ PHE 10 HZ PHE 10 -6.292 -0.400 8.190 62 H VAL 11 H VAL 11 -9.341 1.183 1.123 63 HA VAL 11 HA VAL 11 -10.065 3.682 -0.245 64 HB VAL 11 HB VAL 11 -10.533 0.863 -1.215 65 HG11 VAL 11 HG11 VAL 11 -10.560 2.217 -3.439 66 HG12 VAL 11 HG12 VAL 11 -11.994 2.195 -2.410 67 HG13 VAL 11 HG13 VAL 11 -10.910 3.586 -2.385 68 HG21 VAL 11 HG21 VAL 11 -8.576 1.975 -2.807 69 HG22 VAL 11 HG22 VAL 11 -8.114 2.478 -1.182 70 HG23 VAL 11 HG23 VAL 11 -8.326 0.766 -1.548 71 H ARG 12 H ARG 12 -12.331 3.787 -1.079 72 HA ARG 12 HA ARG 12 -14.156 3.348 1.092 73 HB2 ARG 12 HB2 ARG 12 -14.470 4.521 -1.668 74 HB3 ARG 12 HB3 ARG 12 -15.825 4.335 -0.563 75 HG2 ARG 12 HG2 ARG 12 -14.731 5.781 1.054 76 HG3 ARG 12 HG3 ARG 12 -13.335 5.937 -0.014 77 HD2 ARG 12 HD2 ARG 12 -14.750 7.885 -0.228 78 HD3 ARG 12 HD3 ARG 12 -14.790 6.952 -1.723 79 HE ARG 12 HE ARG 12 -16.929 6.043 -0.293 80 HH11 ARG 12 HH11 ARG 12 -15.852 9.164 -1.395 81 HH12 ARG 12 HH12 ARG 12 -17.453 9.809 -1.545 82 HH21 ARG 12 HH21 ARG 12 -19.042 6.880 -0.486 83 HH22 ARG 12 HH22 ARG 12 -19.267 8.510 -1.027 84 H GLY 13 H GLY 13 -12.995 0.995 -0.324 85 HA2 GLY 13 HA3 GLY 13 -15.435 -0.205 -1.448 86 HA3 GLY 13 HA2 GLY 13 -13.802 -0.810 -1.680 87 H ASP 14 H ASP 14 -13.302 -2.571 -0.574 88 HA ASP 14 HA ASP 14 -14.793 -3.126 1.908 89 HB2 ASP 14 HB2 ASP 14 -15.372 -4.720 0.167 90 HB3 ASP 14 HB3 ASP 14 -13.670 -5.068 -0.120 91 H PHE 15 H PHE 15 -11.884 -4.570 0.470 92 HA PHE 15 HA PHE 15 -10.461 -3.966 2.979 93 HB2 PHE 15 HB2 PHE 15 -10.343 -6.349 1.149 94 HB3 PHE 15 HB3 PHE 15 -9.006 -5.971 2.230 95 HD1 PHE 15 HD1 PHE 15 -10.050 -5.261 4.710 96 HD2 PHE 15 HD2 PHE 15 -11.655 -8.050 1.924 97 HE1 PHE 15 HE1 PHE 15 -11.204 -6.424 6.545 98 HE2 PHE 15 HE2 PHE 15 -12.812 -9.218 3.755 99 HZ PHE 15 HZ PHE 15 -12.588 -8.405 6.069 100 HA PRO 16 HA PRO 16 -7.604 -1.681 0.503 101 HB2 PRO 16 HB2 PRO 16 -5.313 -1.665 2.051 102 HB3 PRO 16 HB3 PRO 16 -6.861 -1.004 2.659 103 HG2 PRO 16 HG2 PRO 16 -5.802 -3.822 3.149 104 HG3 PRO 16 HG3 PRO 16 -6.295 -2.617 4.397 105 HD2 PRO 16 HD2 PRO 16 -8.039 -4.491 3.619 106 HD3 PRO 16 HD3 PRO 16 -8.606 -2.793 3.834 107 H ILE 17 H ILE 17 -5.147 -1.838 -0.424 108 HA ILE 17 HA ILE 17 -5.125 -4.533 -1.745 109 HB ILE 17 HB ILE 17 -4.167 -1.813 -2.748 110 HG12 ILE 17 HG12 ILE 17 -6.622 -3.496 -3.540 111 HG13 ILE 17 HG13 ILE 17 -6.662 -2.032 -2.527 112 HG21 ILE 17 HG21 ILE 17 -4.310 -4.522 -4.209 113 HG22 ILE 17 HG22 ILE 17 -3.755 -2.974 -4.912 114 HG23 ILE 17 HG23 ILE 17 -2.803 -3.750 -3.641 115 HD11 ILE 17 HD11 ILE 17 -7.303 -1.374 -4.769 116 HD12 ILE 17 HD12 ILE 17 -5.684 -0.691 -4.450 117 HD13 ILE 17 HD13 ILE 17 -5.871 -2.130 -5.500 118 H SER 18 H SER 18 -2.659 -1.892 -0.891 119 HA SER 18 HA SER 18 -0.618 -4.082 -0.971 120 HB2 SER 18 HB2 SER 18 0.974 -2.153 -1.176 121 HB3 SER 18 HB3 SER 18 -0.301 -2.102 -2.416 122 HG SER 18 HG SER 18 -0.377 -0.529 -0.013 123 H PHE 19 H PHE 19 1.310 -3.626 0.723 124 HA PHE 19 HA PHE 19 0.127 -2.797 3.321 125 HB2 PHE 19 HB2 PHE 19 1.610 -5.431 2.894 126 HB3 PHE 19 HB3 PHE 19 0.709 -4.953 4.356 127 HD1 PHE 19 HD1 PHE 19 -1.835 -4.852 4.242 128 HD2 PHE 19 HD2 PHE 19 0.511 -6.353 0.955 129 HE1 PHE 19 HE1 PHE 19 -3.879 -5.790 3.200 130 HE2 PHE 19 HE2 PHE 19 -1.511 -7.378 -0.022 131 HZ PHE 19 HZ PHE 19 -3.719 -7.068 1.075 132 H TYR 20 H TYR 20 1.989 -3.081 5.114 133 HA TYR 20 HA TYR 20 3.533 -0.816 4.292 134 HB2 TYR 20 HB2 TYR 20 2.692 -1.681 6.775 135 HB3 TYR 20 HB3 TYR 20 4.355 -2.278 6.826 136 HD1 TYR 20 HD2 TYR 20 2.187 0.684 5.952 137 HD2 TYR 20 HD1 TYR 20 5.938 -0.556 7.647 138 HE1 TYR 20 HE2 TYR 20 2.767 3.045 6.395 139 HE2 TYR 20 HE1 TYR 20 6.497 1.790 8.133 140 HH TYR 20 HH TYR 20 5.811 4.073 7.954 141 H GLY 21 H GLY 21 6.138 -0.898 5.094 142 HA2 GLY 21 HA3 GLY 21 8.198 -2.053 4.850 143 HA3 GLY 21 HA2 GLY 21 7.368 -3.401 4.044
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