NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9217 | 1nj0 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 4 HT1 ARG 4 5.210 -5.332 -7.080 2 2H ARG 4 HT2 ARG 4 5.862 -6.846 -7.557 3 3H ARG 4 HT3 ARG 4 6.894 -5.617 -6.948 4 HA ARG 4 HA ARG 4 4.978 -7.320 -5.549 5 1HB ARG 4 HB2 ARG 4 7.772 -6.406 -4.850 6 2HB ARG 4 HB1 ARG 4 6.871 -7.729 -4.125 7 1HG ARG 4 HG2 ARG 4 7.536 -7.766 -7.038 8 2HG ARG 4 HG1 ARG 4 8.727 -8.257 -5.832 9 1HD ARG 4 HD2 ARG 4 7.359 -10.022 -5.061 10 2HD ARG 4 HD1 ARG 4 5.951 -9.408 -5.926 11 HE ARG 4 HE ARG 4 8.078 -11.030 -6.991 12 1HH1 ARG 4 HH11 ARG 4 5.513 -8.790 -7.755 13 2HH1 ARG 4 HH12 ARG 4 5.359 -9.330 -9.392 14 1HH2 ARG 4 HH21 ARG 4 7.876 -11.742 -9.144 15 2HH2 ARG 4 HH22 ARG 4 6.700 -11.007 -10.181 16 H LYS 5 HN LYS 5 6.589 -4.174 -5.442 17 HA LYS 5 HA LYS 5 5.597 -3.460 -2.867 18 1HB LYS 5 HB2 LYS 5 7.450 -2.413 -4.685 19 2HB LYS 5 HB1 LYS 5 6.203 -1.181 -4.547 20 1HG LYS 5 HG2 LYS 5 7.184 -2.372 -2.030 21 2HG LYS 5 HG1 LYS 5 8.297 -1.323 -2.912 22 1HD LYS 5 HD2 LYS 5 5.730 -0.088 -2.873 23 2HD LYS 5 HD1 LYS 5 6.127 -0.590 -1.231 24 1HE LYS 5 HE2 LYS 5 7.537 1.344 -3.019 25 2HE LYS 5 HE1 LYS 5 7.037 1.532 -1.341 26 1HZ LYS 5 HZ1 LYS 5 9.177 1.137 -0.902 27 2HZ LYS 5 HZ2 LYS 5 9.484 0.459 -2.421 28 3HZ LYS 5 HZ3 LYS 5 8.811 -0.489 -1.193 29 H ARG 6 HN ARG 6 3.860 -2.192 -2.299 30 HA ARG 6 HA ARG 6 2.117 -1.145 -4.382 31 1HB ARG 6 HB2 ARG 6 1.236 -3.246 -2.396 32 2HB ARG 6 HB1 ARG 6 0.118 -2.256 -3.337 33 1HG ARG 6 HG2 ARG 6 1.697 -3.234 -5.303 34 2HG ARG 6 HG1 ARG 6 1.748 -4.566 -4.142 35 1HD ARG 6 HD2 ARG 6 -0.904 -3.926 -4.144 36 2HD ARG 6 HD1 ARG 6 -0.457 -3.599 -5.818 37 HE ARG 6 HE ARG 6 -0.179 -5.851 -6.157 38 1HH1 ARG 6 HH11 ARG 6 -0.400 -5.230 -2.729 39 2HH1 ARG 6 HH12 ARG 6 -0.510 -6.904 -2.307 40 1HH2 ARG 6 HH21 ARG 6 -0.324 -8.054 -5.601 41 2HH2 ARG 6 HH22 ARG 6 -0.466 -8.509 -3.936 42 H ILE 7 HN ILE 7 1.184 0.716 -3.788 43 HA ILE 7 HA ILE 7 0.866 1.319 -0.940 44 HB ILE 7 HB ILE 7 2.118 3.301 -2.836 45 1HG1 ILE 7 HG12 ILE 7 4.072 2.724 -1.023 46 2HG1 ILE 7 HG11 ILE 7 3.322 1.137 -1.229 47 1HG2 ILE 7 HG21 ILE 7 1.289 3.319 0.007 48 2HG2 ILE 7 HG22 ILE 7 1.254 4.610 -1.194 49 3HG2 ILE 7 HG23 ILE 7 2.774 4.173 -0.412 50 1HD1 ILE 7 HD11 ILE 7 4.062 0.921 -3.350 51 2HD1 ILE 7 HD12 ILE 7 5.306 2.024 -2.764 52 3HD1 ILE 7 HD13 ILE 7 3.941 2.646 -3.691 53 H HIS 8 HN HIS 8 -1.238 1.711 -0.738 54 HA HIS 8 HA HIS 8 -2.478 3.715 -2.451 55 1HB HIS 8 HB2 HIS 8 -4.033 1.197 -1.959 56 2HB HIS 8 HB1 HIS 8 -4.245 2.414 -3.221 57 HD1 HIS 8 HD1 HIS 8 -3.078 -0.919 -2.778 58 HD2 HIS 8 HD2 HIS 8 -1.875 2.308 -5.102 59 HE1 HIS 8 HE1 HIS 8 -1.682 -1.903 -4.622 60 HE2 HIS 8 HE2 HIS 8 -1.041 0.059 -6.068 61 H ILE 9 HN ILE 9 -3.620 5.092 -1.253 62 HA ILE 9 HA ILE 9 -4.680 4.157 1.332 63 HB ILE 9 HB ILE 9 -3.521 6.902 0.855 64 1HG1 ILE 9 HG12 ILE 9 -1.792 5.112 0.758 65 2HG1 ILE 9 HG11 ILE 9 -1.586 6.198 2.133 66 1HG2 ILE 9 HG21 ILE 9 -4.738 5.507 3.202 67 2HG2 ILE 9 HG22 ILE 9 -5.031 7.134 2.589 68 3HG2 ILE 9 HG23 ILE 9 -3.535 6.773 3.450 69 1HD1 ILE 9 HD11 ILE 9 -2.685 4.511 3.566 70 2HD1 ILE 9 HD12 ILE 9 -1.187 3.942 2.831 71 3HD1 ILE 9 HD13 ILE 9 -2.742 3.421 2.181 72 H GLY 10 HN GLY 10 -6.817 4.251 1.293 73 1HA GLY 10 HA2 GLY 10 -8.092 6.530 -0.094 74 2HA GLY 10 HA1 GLY 10 -8.752 4.898 -0.155 75 HA PRO 11 HA PRO 11 -10.987 6.910 3.290 76 1HB PRO 11 HB2 PRO 11 -13.325 5.606 2.913 77 2HB PRO 11 HB1 PRO 11 -12.869 7.033 1.973 78 1HG PRO 11 HG2 PRO 11 -12.749 4.150 1.215 79 2HG PRO 11 HG1 PRO 11 -13.221 5.549 0.238 80 1HD PRO 11 HD2 PRO 11 -10.757 4.353 0.108 81 2HD PRO 11 HD1 PRO 11 -11.058 6.052 -0.308 82 H GLY 12 HN GLY 12 -9.194 5.335 4.202 83 1HA GLY 12 HA2 GLY 12 -8.973 4.031 6.147 84 2HA GLY 12 HA1 GLY 12 -10.621 3.459 5.922 85 H ARG 13 HN ARG 13 -8.526 3.439 3.190 86 HA ARG 13 HA ARG 13 -8.289 0.515 3.416 87 1HB ARG 13 HB2 ARG 13 -7.868 1.377 0.724 88 2HB ARG 13 HB1 ARG 13 -9.143 0.345 1.361 89 1HG ARG 13 HG2 ARG 13 -9.258 3.357 1.372 90 2HG ARG 13 HG1 ARG 13 -9.939 2.340 0.097 91 1HD ARG 13 HD2 ARG 13 -10.690 1.779 2.923 92 2HD ARG 13 HD1 ARG 13 -11.398 3.183 2.124 93 HE ARG 13 HE ARG 13 -12.560 1.769 0.692 94 1HH1 ARG 13 HH11 ARG 13 -10.447 -0.068 2.785 95 2HH1 ARG 13 HH12 ARG 13 -11.204 -1.581 2.422 96 1HH2 ARG 13 HH21 ARG 13 -13.549 -0.222 0.219 97 2HH2 ARG 13 HH22 ARG 13 -12.962 -1.670 0.966 98 H ALA 14 HN ALA 14 -6.304 0.679 4.561 99 HA ALA 14 HA ALA 14 -4.060 2.050 3.407 100 1HB ALA 14 HB1 ALA 14 -4.283 1.795 5.831 101 2HB ALA 14 HB2 ALA 14 -2.778 1.087 5.241 102 3HB ALA 14 HB3 ALA 14 -4.138 0.045 5.658 103 H PHE 15 HN PHE 15 -2.583 1.293 2.026 104 HA PHE 15 HA PHE 15 -2.276 -1.592 1.666 105 1HB PHE 15 HB2 PHE 15 -2.981 0.356 -0.530 106 2HB PHE 15 HB1 PHE 15 -2.292 -1.234 -0.844 107 HD1 PHE 15 HD1 PHE 15 -5.267 0.592 -0.488 108 HD2 PHE 15 HD2 PHE 15 -3.566 -3.235 0.270 109 HE1 PHE 15 HE1 PHE 15 -7.522 -0.391 -0.417 110 HE2 PHE 15 HE2 PHE 15 -5.817 -4.225 0.342 111 HZ PHE 15 HZ PHE 15 -7.798 -2.803 -0.001 112 H TYR 16 HN TYR 16 -0.594 0.314 2.929 113 HA TYR 16 HA TYR 16 1.561 0.864 1.053 114 1HB TYR 16 HB2 TYR 16 0.916 2.539 2.770 115 2HB TYR 16 HB1 TYR 16 1.402 1.406 4.026 116 HD1 TYR 16 HD1 TYR 16 2.520 3.853 1.608 117 HD2 TYR 16 HD2 TYR 16 3.803 0.786 4.260 118 HE1 TYR 16 HE1 TYR 16 4.817 4.724 1.492 119 HE2 TYR 16 HE2 TYR 16 6.105 1.647 4.153 120 HH TYR 16 HH TYR 16 6.867 4.683 2.760 121 H THR 17 HN THR 17 2.952 -0.708 0.590 122 HA THR 17 HA THR 17 4.116 -2.262 2.759 123 HB THR 17 HB THR 17 2.277 -3.673 2.056 124 HG1 THR 17 HG1 THR 17 4.325 -4.669 2.467 125 1HG2 THR 17 HG21 THR 17 2.892 -2.726 -0.558 126 2HG2 THR 17 HG22 THR 17 1.518 -3.687 -0.014 127 3HG2 THR 17 HG23 THR 17 3.002 -4.486 -0.533 128 H THR 18 HN THR 18 6.185 -1.711 2.512 129 HA THR 18 HA THR 18 7.334 -1.712 -0.193 130 HB THR 18 HB THR 18 9.097 -0.291 0.689 131 HG1 THR 18 HG1 THR 18 9.501 -0.437 2.728 132 1HG2 THR 18 HG21 THR 18 6.936 1.163 1.972 133 2HG2 THR 18 HG22 THR 18 6.506 0.543 0.378 134 3HG2 THR 18 HG23 THR 18 7.916 1.587 0.569 135 H LYS 19 HN LYS 19 8.585 -2.286 3.097 136 HA LYS 19 HA LYS 19 9.983 -3.872 3.936 137 1HB LYS 19 HB2 LYS 19 8.524 -5.455 1.832 138 2HB LYS 19 HB1 LYS 19 9.744 -6.192 2.861 139 1HG LYS 19 HG2 LYS 19 7.435 -4.694 4.038 140 2HG LYS 19 HG1 LYS 19 7.278 -6.381 3.544 141 1HD LYS 19 HD2 LYS 19 8.475 -7.126 5.293 142 2HD LYS 19 HD1 LYS 19 9.658 -5.825 5.157 143 1HE LYS 19 HE2 LYS 19 7.161 -4.739 6.028 144 2HE LYS 19 HE1 LYS 19 7.583 -6.112 7.051 145 1HZ LYS 19 HZ1 LYS 19 9.584 -4.035 6.435 146 2HZ LYS 19 HZ2 LYS 19 9.526 -5.101 7.747 147 3HZ LYS 19 HZ3 LYS 19 8.453 -3.795 7.672 Start of MODEL 2 1 1H ARG 4 HT1 ARG 4 7.947 -6.294 -4.039 2 2H ARG 4 HT2 ARG 4 7.866 -7.668 -5.064 3 3H ARG 4 HT3 ARG 4 6.884 -7.584 -3.658 4 HA ARG 4 HA ARG 4 6.670 -6.083 -6.165 5 1HB ARG 4 HB2 ARG 4 4.508 -7.442 -4.578 6 2HB ARG 4 HB1 ARG 4 4.549 -7.082 -6.297 7 1HG ARG 4 HG2 ARG 4 6.173 -9.179 -4.873 8 2HG ARG 4 HG1 ARG 4 4.787 -9.456 -5.927 9 1HD ARG 4 HD2 ARG 4 6.007 -9.213 -7.795 10 2HD ARG 4 HD1 ARG 4 6.915 -7.851 -7.138 11 HE ARG 4 HE ARG 4 8.594 -9.304 -6.647 12 1HH1 ARG 4 HH11 ARG 4 5.624 -11.123 -6.863 13 2HH1 ARG 4 HH12 ARG 4 6.398 -12.654 -6.638 14 1HH2 ARG 4 HH21 ARG 4 9.615 -11.318 -6.350 15 2HH2 ARG 4 HH22 ARG 4 8.664 -12.766 -6.346 16 H LYS 5 HN LYS 5 7.166 -4.022 -5.243 17 HA LYS 5 HA LYS 5 5.815 -2.987 -2.978 18 1HB LYS 5 HB2 LYS 5 7.929 -2.168 -4.551 19 2HB LYS 5 HB1 LYS 5 6.682 -0.988 -4.930 20 1HG LYS 5 HG2 LYS 5 6.410 -0.791 -2.374 21 2HG LYS 5 HG1 LYS 5 7.991 -1.570 -2.308 22 1HD LYS 5 HD2 LYS 5 8.907 0.437 -2.600 23 2HD LYS 5 HD1 LYS 5 8.241 0.439 -4.234 24 1HE LYS 5 HE2 LYS 5 6.199 1.486 -3.406 25 2HE LYS 5 HE1 LYS 5 6.840 1.457 -1.764 26 1HZ LYS 5 HZ1 LYS 5 7.509 3.215 -3.988 27 2HZ LYS 5 HZ2 LYS 5 8.790 2.750 -2.986 28 3HZ LYS 5 HZ3 LYS 5 7.448 3.541 -2.328 29 H ARG 6 HN ARG 6 3.942 -1.897 -2.772 30 HA ARG 6 HA ARG 6 2.547 -0.889 -5.103 31 1HB ARG 6 HB2 ARG 6 1.708 -3.327 -3.621 32 2HB ARG 6 HB1 ARG 6 0.440 -2.187 -4.079 33 1HG ARG 6 HG2 ARG 6 2.255 -2.726 -6.273 34 2HG ARG 6 HG1 ARG 6 1.506 -4.200 -5.649 35 1HD ARG 6 HD2 ARG 6 0.254 -3.019 -7.497 36 2HD ARG 6 HD1 ARG 6 -0.672 -3.369 -6.037 37 HE ARG 6 HE ARG 6 -0.950 -1.125 -5.736 38 1HH1 ARG 6 HH11 ARG 6 1.733 -1.624 -7.909 39 2HH1 ARG 6 HH12 ARG 6 1.928 0.061 -8.257 40 1HH2 ARG 6 HH21 ARG 6 -0.697 1.092 -6.191 41 2HH2 ARG 6 HH22 ARG 6 0.547 1.605 -7.282 42 H ILE 7 HN ILE 7 1.895 1.068 -4.536 43 HA ILE 7 HA ILE 7 1.137 1.545 -1.728 44 HB ILE 7 HB ILE 7 1.869 3.744 -3.633 45 1HG1 ILE 7 HG12 ILE 7 4.187 3.509 -2.387 46 2HG1 ILE 7 HG11 ILE 7 3.696 1.818 -2.248 47 1HG2 ILE 7 HG21 ILE 7 1.347 3.447 -0.774 48 2HG2 ILE 7 HG22 ILE 7 1.230 4.870 -1.809 49 3HG2 ILE 7 HG23 ILE 7 2.792 4.389 -1.144 50 1HD1 ILE 7 HD11 ILE 7 3.315 2.795 -4.932 51 2HD1 ILE 7 HD12 ILE 7 4.252 1.418 -4.353 52 3HD1 ILE 7 HD13 ILE 7 4.978 3.025 -4.392 53 H HIS 8 HN HIS 8 -0.995 1.585 -1.484 54 HA HIS 8 HA HIS 8 -2.584 3.331 -3.169 55 1HB HIS 8 HB2 HIS 8 -4.344 1.455 -3.374 56 2HB HIS 8 HB1 HIS 8 -2.949 1.405 -4.456 57 HD1 HIS 8 HD1 HIS 8 -1.027 -0.336 -3.749 58 HD2 HIS 8 HD2 HIS 8 -4.693 -0.778 -1.843 59 HE1 HIS 8 HE1 HIS 8 -0.995 -2.646 -2.758 60 HE2 HIS 8 HE2 HIS 8 -3.271 -2.934 -1.717 61 H ILE 9 HN ILE 9 -3.582 4.587 -1.748 62 HA ILE 9 HA ILE 9 -4.672 3.348 0.696 63 HB ILE 9 HB ILE 9 -3.768 6.216 0.450 64 1HG1 ILE 9 HG12 ILE 9 -1.990 5.165 2.160 65 2HG1 ILE 9 HG11 ILE 9 -2.291 3.735 1.171 66 1HG2 ILE 9 HG21 ILE 9 -3.928 6.185 2.902 67 2HG2 ILE 9 HG22 ILE 9 -4.533 4.530 2.829 68 3HG2 ILE 9 HG23 ILE 9 -5.477 5.844 2.129 69 1HD1 ILE 9 HD11 ILE 9 -0.374 5.407 0.577 70 2HD1 ILE 9 HD12 ILE 9 -1.684 6.315 -0.179 71 3HD1 ILE 9 HD13 ILE 9 -1.345 4.661 -0.692 72 H GLY 10 HN GLY 10 -6.735 3.874 1.306 73 1HA GLY 10 HA2 GLY 10 -8.204 5.767 -0.411 74 2HA GLY 10 HA1 GLY 10 -8.839 4.150 -0.128 75 HA PRO 11 HA PRO 11 -10.922 6.763 3.017 76 1HB PRO 11 HB2 PRO 11 -12.787 4.473 3.001 77 2HB PRO 11 HB1 PRO 11 -13.117 6.195 2.776 78 1HG PRO 11 HG2 PRO 11 -13.249 4.469 0.731 79 2HG PRO 11 HG1 PRO 11 -12.650 6.124 0.513 80 1HD PRO 11 HD2 PRO 11 -11.110 3.565 0.751 81 2HD PRO 11 HD1 PRO 11 -10.840 4.946 -0.334 82 H GLY 12 HN GLY 12 -8.838 5.881 4.125 83 1HA GLY 12 HA2 GLY 12 -8.032 5.084 6.133 84 2HA GLY 12 HA1 GLY 12 -9.670 4.589 6.538 85 H ARG 13 HN ARG 13 -8.183 3.529 3.584 86 HA ARG 13 HA ARG 13 -8.119 0.798 4.657 87 1HB ARG 13 HB2 ARG 13 -7.754 0.921 1.790 88 2HB ARG 13 HB1 ARG 13 -9.000 0.100 2.721 89 1HG ARG 13 HG2 ARG 13 -9.097 3.028 2.027 90 2HG ARG 13 HG1 ARG 13 -9.828 1.758 1.044 91 1HD ARG 13 HD2 ARG 13 -10.464 2.071 3.964 92 2HD ARG 13 HD1 ARG 13 -11.322 2.983 2.720 93 HE ARG 13 HE ARG 13 -12.335 1.023 1.994 94 1HH1 ARG 13 HH11 ARG 13 -10.016 0.339 4.516 95 2HH1 ARG 13 HH12 ARG 13 -10.591 -1.272 4.775 96 1HH2 ARG 13 HH21 ARG 13 -13.084 -1.097 2.336 97 2HH2 ARG 13 HH22 ARG 13 -12.329 -2.088 3.539 98 H ALA 14 HN ALA 14 -6.064 1.404 5.698 99 HA ALA 14 HA ALA 14 -3.747 2.128 4.339 100 1HB ALA 14 HB1 ALA 14 -2.573 1.560 6.264 101 2HB ALA 14 HB2 ALA 14 -3.678 0.246 6.670 102 3HB ALA 14 HB3 ALA 14 -4.189 1.923 6.867 103 H PHE 15 HN PHE 15 -3.386 1.081 2.424 104 HA PHE 15 HA PHE 15 -2.713 -1.778 2.632 105 1HB PHE 15 HB2 PHE 15 -4.195 -0.350 0.426 106 2HB PHE 15 HB1 PHE 15 -3.430 -1.918 0.188 107 HD1 PHE 15 HD1 PHE 15 -6.447 -0.413 0.800 108 HD2 PHE 15 HD2 PHE 15 -4.040 -3.618 2.231 109 HE1 PHE 15 HE1 PHE 15 -8.457 -1.524 1.683 110 HE2 PHE 15 HE2 PHE 15 -6.046 -4.735 3.115 111 HZ PHE 15 HZ PHE 15 -8.258 -3.688 2.842 112 H TYR 16 HN TYR 16 -1.015 0.559 2.908 113 HA TYR 16 HA TYR 16 0.577 0.548 0.457 114 1HB TYR 16 HB2 TYR 16 0.310 2.743 1.223 115 2HB TYR 16 HB1 TYR 16 0.495 2.281 2.909 116 HD1 TYR 16 HD1 TYR 16 2.583 1.951 -0.187 117 HD2 TYR 16 HD2 TYR 16 2.371 3.174 3.882 118 HE1 TYR 16 HE1 TYR 16 4.949 2.621 -0.270 119 HE2 TYR 16 HE2 TYR 16 4.735 3.847 3.810 120 HH TYR 16 HH TYR 16 6.728 3.440 2.561 121 H THR 17 HN THR 17 2.216 -0.823 0.247 122 HA THR 17 HA THR 17 3.783 -1.554 2.611 123 HB THR 17 HB THR 17 2.131 -3.349 2.271 124 HG1 THR 17 HG1 THR 17 4.749 -4.134 1.526 125 1HG2 THR 17 HG21 THR 17 3.211 -4.618 -0.022 126 2HG2 THR 17 HG22 THR 17 2.698 -2.991 -0.470 127 3HG2 THR 17 HG23 THR 17 1.552 -4.101 0.281 128 H THR 18 HN THR 18 5.911 -1.505 2.259 129 HA THR 18 HA THR 18 6.834 -1.308 -0.525 130 HB THR 18 HB THR 18 8.753 -0.047 0.349 131 HG1 THR 18 HG1 THR 18 7.448 -0.200 2.859 132 1HG2 THR 18 HG21 THR 18 6.240 0.949 0.077 133 2HG2 THR 18 HG22 THR 18 7.689 1.910 0.377 134 3HG2 THR 18 HG23 THR 18 6.649 1.437 1.721 135 H LYS 19 HN LYS 19 8.495 -2.036 2.533 136 HA LYS 19 HA LYS 19 9.526 -4.495 1.274 137 1HB LYS 19 HB2 LYS 19 11.223 -2.687 1.643 138 2HB LYS 19 HB1 LYS 19 10.921 -2.823 3.370 139 1HG LYS 19 HG2 LYS 19 11.566 -5.349 2.016 140 2HG LYS 19 HG1 LYS 19 12.863 -4.152 2.045 141 1HD LYS 19 HD2 LYS 19 11.321 -5.024 4.485 142 2HD LYS 19 HD1 LYS 19 12.858 -5.734 3.986 143 1HE LYS 19 HE2 LYS 19 12.343 -2.867 4.765 144 2HE LYS 19 HE1 LYS 19 13.275 -4.063 5.667 145 1HZ LYS 19 HZ1 LYS 19 14.557 -4.104 3.345 146 2HZ LYS 19 HZ2 LYS 19 14.981 -3.069 4.614 147 3HZ LYS 19 HZ3 LYS 19 14.029 -2.496 3.339 Start of MODEL 3 1 1H ARG 4 HT1 ARG 4 5.302 -6.696 -6.176 2 2H ARG 4 HT2 ARG 4 6.235 -7.419 -4.930 3 3H ARG 4 HT3 ARG 4 6.733 -7.554 -6.567 4 HA ARG 4 HA ARG 4 7.977 -5.936 -5.227 5 1HB ARG 4 HB2 ARG 4 6.496 -5.355 -7.762 6 2HB ARG 4 HB1 ARG 4 7.501 -4.095 -7.059 7 1HG ARG 4 HG2 ARG 4 9.180 -6.242 -6.997 8 2HG ARG 4 HG1 ARG 4 8.257 -6.540 -8.472 9 1HD ARG 4 HD2 ARG 4 8.768 -4.190 -9.163 10 2HD ARG 4 HD1 ARG 4 9.843 -4.075 -7.771 11 HE ARG 4 HE ARG 4 10.669 -6.309 -9.129 12 1HH1 ARG 4 HH11 ARG 4 10.281 -2.927 -9.899 13 2HH1 ARG 4 HH12 ARG 4 11.556 -2.919 -11.070 14 1HH2 ARG 4 HH21 ARG 4 12.345 -6.300 -10.671 15 2HH2 ARG 4 HH22 ARG 4 12.728 -4.833 -11.509 16 H LYS 5 HN LYS 5 7.711 -3.303 -5.266 17 HA LYS 5 HA LYS 5 6.200 -2.677 -3.023 18 1HB LYS 5 HB2 LYS 5 7.975 -1.331 -4.740 19 2HB LYS 5 HB1 LYS 5 6.511 -0.357 -4.710 20 1HG LYS 5 HG2 LYS 5 6.940 -1.029 -2.058 21 2HG LYS 5 HG1 LYS 5 8.550 -0.696 -2.694 22 1HD LYS 5 HD2 LYS 5 8.113 1.470 -2.430 23 2HD LYS 5 HD1 LYS 5 6.932 1.325 -3.733 24 1HE LYS 5 HE2 LYS 5 6.485 1.197 -0.767 25 2HE LYS 5 HE1 LYS 5 5.760 2.291 -1.944 26 1HZ LYS 5 HZ1 LYS 5 4.104 0.748 -1.449 27 2HZ LYS 5 HZ2 LYS 5 5.164 -0.569 -1.492 28 3HZ LYS 5 HZ3 LYS 5 4.726 0.211 -2.928 29 H ARG 6 HN ARG 6 4.186 -1.845 -2.665 30 HA ARG 6 HA ARG 6 2.503 -1.153 -4.940 31 1HB ARG 6 HB2 ARG 6 0.682 -2.639 -3.652 32 2HB ARG 6 HB1 ARG 6 1.678 -3.265 -4.966 33 1HG ARG 6 HG2 ARG 6 3.303 -3.996 -3.118 34 2HG ARG 6 HG1 ARG 6 1.950 -3.718 -2.014 35 1HD ARG 6 HD2 ARG 6 0.639 -5.373 -3.033 36 2HD ARG 6 HD1 ARG 6 1.658 -5.419 -4.469 37 HE ARG 6 HE ARG 6 3.090 -6.852 -3.384 38 1HH1 ARG 6 HH11 ARG 6 0.840 -5.507 -1.079 39 2HH1 ARG 6 HH12 ARG 6 1.300 -6.591 0.190 40 1HH2 ARG 6 HH21 ARG 6 3.693 -8.279 -1.717 41 2HH2 ARG 6 HH22 ARG 6 2.919 -8.164 -0.171 42 H ILE 7 HN ILE 7 1.880 0.826 -4.405 43 HA ILE 7 HA ILE 7 1.207 1.426 -1.613 44 HB ILE 7 HB ILE 7 1.527 3.361 -3.910 45 1HG1 ILE 7 HG12 ILE 7 3.545 3.180 -1.735 46 2HG1 ILE 7 HG11 ILE 7 3.556 1.896 -2.947 47 1HG2 ILE 7 HG21 ILE 7 1.374 3.788 -0.930 48 2HG2 ILE 7 HG22 ILE 7 0.148 4.228 -2.119 49 3HG2 ILE 7 HG23 ILE 7 1.713 5.041 -2.121 50 1HD1 ILE 7 HD11 ILE 7 3.843 4.848 -3.451 51 2HD1 ILE 7 HD12 ILE 7 3.757 3.610 -4.704 52 3HD1 ILE 7 HD13 ILE 7 5.107 3.622 -3.569 53 H HIS 8 HN HIS 8 -0.871 1.239 -1.082 54 HA HIS 8 HA HIS 8 -2.895 2.228 -2.964 55 1HB HIS 8 HB2 HIS 8 -3.226 -0.319 -1.365 56 2HB HIS 8 HB1 HIS 8 -4.341 0.342 -2.566 57 HD1 HIS 8 HD1 HIS 8 -2.487 -2.447 -2.423 58 HD2 HIS 8 HD2 HIS 8 -2.276 0.769 -5.047 59 HE1 HIS 8 HE1 HIS 8 -1.355 -3.335 -4.486 60 HE2 HIS 8 HE2 HIS 8 -1.155 -1.349 -6.023 61 H ILE 9 HN ILE 9 -4.211 3.655 -2.044 62 HA ILE 9 HA ILE 9 -4.805 3.436 0.816 63 HB ILE 9 HB ILE 9 -4.009 6.060 -0.440 64 1HG1 ILE 9 HG12 ILE 9 -2.083 5.550 1.413 65 2HG1 ILE 9 HG11 ILE 9 -2.391 3.923 0.802 66 1HG2 ILE 9 HG21 ILE 9 -5.063 5.220 2.176 67 2HG2 ILE 9 HG22 ILE 9 -5.204 6.763 1.334 68 3HG2 ILE 9 HG23 ILE 9 -3.731 6.374 2.223 69 1HD1 ILE 9 HD11 ILE 9 -0.552 5.192 -0.334 70 2HD1 ILE 9 HD12 ILE 9 -1.794 6.262 -0.985 71 3HD1 ILE 9 HD13 ILE 9 -1.801 4.548 -1.399 72 H GLY 10 HN GLY 10 -6.849 4.000 1.361 73 1HA GLY 10 HA2 GLY 10 -8.492 5.393 -0.645 74 2HA GLY 10 HA1 GLY 10 -9.035 3.845 -0.006 75 HA PRO 11 HA PRO 11 -10.937 6.983 2.741 76 1HB PRO 11 HB2 PRO 11 -13.200 5.579 3.231 77 2HB PRO 11 HB1 PRO 11 -12.987 6.570 1.781 78 1HG PRO 11 HG2 PRO 11 -12.716 3.610 2.109 79 2HG PRO 11 HG1 PRO 11 -13.460 4.528 0.789 80 1HD PRO 11 HD2 PRO 11 -10.954 3.465 0.646 81 2HD PRO 11 HD1 PRO 11 -11.446 4.921 -0.240 82 H GLY 12 HN GLY 12 -8.907 5.823 3.850 83 1HA GLY 12 HA2 GLY 12 -8.306 5.338 6.069 84 2HA GLY 12 HA1 GLY 12 -9.948 4.781 6.367 85 H ARG 13 HN ARG 13 -8.230 3.694 3.562 86 HA ARG 13 HA ARG 13 -8.021 1.022 4.774 87 1HB ARG 13 HB2 ARG 13 -7.773 1.009 1.891 88 2HB ARG 13 HB1 ARG 13 -8.922 0.157 2.917 89 1HG ARG 13 HG2 ARG 13 -9.229 3.017 2.012 90 2HG ARG 13 HG1 ARG 13 -9.986 1.621 1.237 91 1HD ARG 13 HD2 ARG 13 -10.386 1.896 4.154 92 2HD ARG 13 HD1 ARG 13 -11.183 3.095 3.132 93 HE ARG 13 HE ARG 13 -11.748 0.636 2.014 94 1HH1 ARG 13 HH11 ARG 13 -12.309 2.225 5.070 95 2HH1 ARG 13 HH12 ARG 13 -13.782 1.371 5.386 96 1HH2 ARG 13 HH21 ARG 13 -13.685 -0.488 2.427 97 2HH2 ARG 13 HH22 ARG 13 -14.564 -0.169 3.886 98 H ALA 14 HN ALA 14 -5.958 1.571 5.694 99 HA ALA 14 HA ALA 14 -3.749 2.425 4.161 100 1HB ALA 14 HB1 ALA 14 -3.275 2.744 6.352 101 2HB ALA 14 HB2 ALA 14 -2.540 1.148 6.184 102 3HB ALA 14 HB3 ALA 14 -4.160 1.307 6.866 103 H PHE 15 HN PHE 15 -3.129 1.317 2.405 104 HA PHE 15 HA PHE 15 -2.515 -1.540 2.751 105 1HB PHE 15 HB2 PHE 15 -3.958 -0.191 0.482 106 2HB PHE 15 HB1 PHE 15 -3.097 -1.707 0.236 107 HD1 PHE 15 HD1 PHE 15 -3.689 -3.609 1.939 108 HD2 PHE 15 HD2 PHE 15 -6.171 -0.256 1.101 109 HE1 PHE 15 HE1 PHE 15 -5.644 -4.856 2.761 110 HE2 PHE 15 HE2 PHE 15 -8.131 -1.495 1.921 111 HZ PHE 15 HZ PHE 15 -7.869 -3.799 2.754 112 H TYR 16 HN TYR 16 -0.792 0.751 3.034 113 HA TYR 16 HA TYR 16 0.872 0.762 0.644 114 1HB TYR 16 HB2 TYR 16 0.607 2.902 1.650 115 2HB TYR 16 HB1 TYR 16 0.959 2.274 3.254 116 HD1 TYR 16 HD1 TYR 16 2.620 2.491 -0.096 117 HD2 TYR 16 HD2 TYR 16 3.024 2.781 4.129 118 HE1 TYR 16 HE1 TYR 16 4.973 3.149 -0.370 119 HE2 TYR 16 HE2 TYR 16 5.378 3.437 3.866 120 HH TYR 16 HH TYR 16 6.788 4.537 2.030 121 H THR 17 HN THR 17 2.387 -0.736 0.359 122 HA THR 17 HA THR 17 3.851 -1.724 2.705 123 HB THR 17 HB THR 17 3.839 -3.971 1.272 124 HG1 THR 17 HG1 THR 17 1.731 -4.242 0.392 125 1HG2 THR 17 HG21 THR 17 1.295 -3.898 2.603 126 2HG2 THR 17 HG22 THR 17 2.544 -3.133 3.586 127 3HG2 THR 17 HG23 THR 17 2.761 -4.788 3.017 128 H THR 18 HN THR 18 5.962 -1.539 2.465 129 HA THR 18 HA THR 18 7.053 -1.170 -0.232 130 HB THR 18 HB THR 18 8.882 -0.004 0.773 131 HG1 THR 18 HG1 THR 18 7.827 -0.670 3.315 132 1HG2 THR 18 HG21 THR 18 7.686 1.827 1.037 133 2HG2 THR 18 HG22 THR 18 7.171 1.279 2.632 134 3HG2 THR 18 HG23 THR 18 6.226 0.852 1.204 135 H LYS 19 HN LYS 19 8.094 -2.601 2.870 136 HA LYS 19 HA LYS 19 9.509 -4.671 1.324 137 1HB LYS 19 HB2 LYS 19 10.558 -2.971 3.192 138 2HB LYS 19 HB1 LYS 19 10.193 -4.385 4.171 139 1HG LYS 19 HG2 LYS 19 11.477 -5.761 2.537 140 2HG LYS 19 HG1 LYS 19 11.954 -4.262 1.734 141 1HD LYS 19 HD2 LYS 19 12.927 -3.489 3.890 142 2HD LYS 19 HD1 LYS 19 12.560 -5.073 4.577 143 1HE LYS 19 HE2 LYS 19 13.951 -6.093 2.774 144 2HE LYS 19 HE1 LYS 19 14.418 -4.465 2.283 145 1HZ LYS 19 HZ1 LYS 19 15.075 -4.277 4.786 146 2HZ LYS 19 HZ2 LYS 19 16.122 -5.012 3.679 147 3HZ LYS 19 HZ3 LYS 19 15.159 -5.964 4.693 Start of MODEL 4 1 1H ARG 4 HT1 ARG 4 9.576 -4.020 -7.548 2 2H ARG 4 HT2 ARG 4 9.539 -4.652 -5.954 3 3H ARG 4 HT3 ARG 4 9.198 -2.993 -6.229 4 HA ARG 4 HA ARG 4 7.325 -3.793 -7.665 5 1HB ARG 4 HB2 ARG 4 8.466 -6.190 -7.344 6 2HB ARG 4 HB1 ARG 4 7.378 -6.236 -5.963 7 1HG ARG 4 HG2 ARG 4 6.068 -5.339 -8.401 8 2HG ARG 4 HG1 ARG 4 6.762 -6.955 -8.543 9 1HD ARG 4 HD2 ARG 4 5.488 -6.798 -6.020 10 2HD ARG 4 HD1 ARG 4 4.373 -6.137 -7.215 11 HE ARG 4 HE ARG 4 4.075 -8.246 -8.028 12 1HH1 ARG 4 HH11 ARG 4 7.032 -8.191 -6.176 13 2HH1 ARG 4 HH12 ARG 4 7.287 -9.899 -6.298 14 1HH2 ARG 4 HH21 ARG 4 4.408 -10.492 -8.189 15 2HH2 ARG 4 HH22 ARG 4 5.797 -11.206 -7.442 16 H LYS 5 HN LYS 5 7.575 -1.939 -5.813 17 HA LYS 5 HA LYS 5 6.516 -2.477 -3.261 18 1HB LYS 5 HB2 LYS 5 7.468 -0.227 -4.667 19 2HB LYS 5 HB1 LYS 5 5.837 0.179 -4.151 20 1HG LYS 5 HG2 LYS 5 6.688 -0.779 -1.851 21 2HG LYS 5 HG1 LYS 5 8.263 -0.365 -2.529 22 1HD LYS 5 HD2 LYS 5 7.900 1.712 -1.799 23 2HD LYS 5 HD1 LYS 5 6.701 1.854 -3.084 24 1HE LYS 5 HE2 LYS 5 6.334 1.448 -0.169 25 2HE LYS 5 HE1 LYS 5 5.414 2.437 -1.296 26 1HZ LYS 5 HZ1 LYS 5 5.158 -0.436 -0.717 27 2HZ LYS 5 HZ2 LYS 5 4.680 0.153 -2.228 28 3HZ LYS 5 HZ3 LYS 5 3.953 0.747 -0.822 29 H ARG 6 HN ARG 6 4.416 -1.771 -2.419 30 HA ARG 6 HA ARG 6 2.258 -1.715 -4.394 31 1HB ARG 6 HB2 ARG 6 2.830 -4.080 -3.334 32 2HB ARG 6 HB1 ARG 6 1.867 -3.447 -1.997 33 1HG ARG 6 HG2 ARG 6 -0.039 -3.174 -3.408 34 2HG ARG 6 HG1 ARG 6 0.910 -3.558 -4.850 35 1HD ARG 6 HD2 ARG 6 0.259 -5.420 -2.568 36 2HD ARG 6 HD1 ARG 6 -0.416 -5.475 -4.196 37 HE ARG 6 HE ARG 6 2.290 -5.676 -4.549 38 1HH1 ARG 6 HH11 ARG 6 -0.112 -7.468 -2.761 39 2HH1 ARG 6 HH12 ARG 6 0.733 -8.973 -2.891 40 1HH2 ARG 6 HH21 ARG 6 3.404 -7.654 -4.721 41 2HH2 ARG 6 HH22 ARG 6 2.730 -9.079 -4.003 42 H ILE 7 HN ILE 7 1.856 0.431 -3.871 43 HA ILE 7 HA ILE 7 1.121 1.033 -1.095 44 HB ILE 7 HB ILE 7 1.377 2.978 -3.391 45 1HG1 ILE 7 HG12 ILE 7 3.427 2.615 -1.221 46 2HG1 ILE 7 HG11 ILE 7 3.487 1.638 -2.691 47 1HG2 ILE 7 HG21 ILE 7 0.720 3.195 -0.529 48 2HG2 ILE 7 HG22 ILE 7 0.263 4.228 -1.883 49 3HG2 ILE 7 HG23 ILE 7 1.858 4.391 -1.147 50 1HD1 ILE 7 HD11 ILE 7 3.605 3.697 -4.023 51 2HD1 ILE 7 HD12 ILE 7 4.948 3.544 -2.890 52 3HD1 ILE 7 HD13 ILE 7 3.612 4.640 -2.533 53 H HIS 8 HN HIS 8 -0.969 0.703 -0.625 54 HA HIS 8 HA HIS 8 -2.982 1.548 -2.602 55 1HB HIS 8 HB2 HIS 8 -2.692 -1.043 -1.192 56 2HB HIS 8 HB1 HIS 8 -4.331 -0.392 -1.298 57 HD1 HIS 8 HD1 HIS 8 -4.325 -2.790 -2.788 58 HD2 HIS 8 HD2 HIS 8 -2.670 0.627 -4.474 59 HE1 HIS 8 HE1 HIS 8 -4.303 -3.207 -5.267 60 HE2 HIS 8 HE2 HIS 8 -3.216 -1.163 -6.258 61 H ILE 9 HN ILE 9 -4.434 2.950 -1.868 62 HA ILE 9 HA ILE 9 -4.931 3.107 1.027 63 HB ILE 9 HB ILE 9 -4.641 5.534 -0.743 64 1HG1 ILE 9 HG12 ILE 9 -2.559 5.838 0.828 65 2HG1 ILE 9 HG11 ILE 9 -2.665 4.083 0.984 66 1HG2 ILE 9 HG21 ILE 9 -5.441 5.064 2.051 67 2HG2 ILE 9 HG22 ILE 9 -5.876 6.368 0.947 68 3HG2 ILE 9 HG23 ILE 9 -4.326 6.404 1.788 69 1HD1 ILE 9 HD11 ILE 9 -2.841 4.539 -1.741 70 2HD1 ILE 9 HD12 ILE 9 -1.430 3.969 -0.850 71 3HD1 ILE 9 HD13 ILE 9 -1.631 5.691 -1.178 72 H GLY 10 HN GLY 10 -6.984 2.383 1.123 73 1HA GLY 10 HA2 GLY 10 -8.914 3.135 -0.917 74 2HA GLY 10 HA1 GLY 10 -9.186 2.030 0.425 75 HA PRO 11 HA PRO 11 -11.615 5.767 1.506 76 1HB PRO 11 HB2 PRO 11 -13.074 3.817 3.165 77 2HB PRO 11 HB1 PRO 11 -13.684 4.909 1.917 78 1HG PRO 11 HG2 PRO 11 -13.543 2.255 1.526 79 2HG PRO 11 HG1 PRO 11 -13.261 3.414 0.212 80 1HD PRO 11 HD2 PRO 11 -11.271 1.877 1.844 81 2HD PRO 11 HD1 PRO 11 -11.282 2.206 0.097 82 H GLY 12 HN GLY 12 -9.387 6.041 2.630 83 1HA GLY 12 HA2 GLY 12 -8.447 6.845 4.590 84 2HA GLY 12 HA1 GLY 12 -9.910 6.373 5.444 85 H ARG 13 HN ARG 13 -8.335 4.034 3.463 86 HA ARG 13 HA ARG 13 -7.334 2.684 5.877 87 1HB ARG 13 HB2 ARG 13 -7.560 0.763 3.837 88 2HB ARG 13 HB1 ARG 13 -8.567 0.925 5.270 89 1HG ARG 13 HG2 ARG 13 -9.176 2.512 2.806 90 2HG ARG 13 HG1 ARG 13 -9.678 0.824 2.945 91 1HD ARG 13 HD2 ARG 13 -10.300 2.849 5.075 92 2HD ARG 13 HD1 ARG 13 -11.344 2.624 3.668 93 HE ARG 13 HE ARG 13 -10.748 0.183 5.062 94 1HH1 ARG 13 HH11 ARG 13 -12.860 2.958 4.944 95 2HH1 ARG 13 HH12 ARG 13 -14.168 2.154 5.744 96 1HH2 ARG 13 HH21 ARG 13 -12.467 -0.877 6.116 97 2HH2 ARG 13 HH22 ARG 13 -13.945 -0.023 6.410 98 H ALA 14 HN ALA 14 -5.381 3.986 5.522 99 HA ALA 14 HA ALA 14 -3.773 3.817 3.247 100 1HB ALA 14 HB1 ALA 14 -2.995 5.464 4.589 101 2HB ALA 14 HB2 ALA 14 -1.918 4.182 5.142 102 3HB ALA 14 HB3 ALA 14 -3.362 4.583 6.072 103 H PHE 15 HN PHE 15 -3.485 1.803 2.404 104 HA PHE 15 HA PHE 15 -2.259 -0.236 4.131 105 1HB PHE 15 HB2 PHE 15 -3.732 -0.477 1.503 106 2HB PHE 15 HB1 PHE 15 -2.877 -1.816 2.261 107 HD1 PHE 15 HD1 PHE 15 -3.584 -1.306 5.116 108 HD2 PHE 15 HD2 PHE 15 -5.947 -1.190 1.577 109 HE1 PHE 15 HE1 PHE 15 -5.588 -1.833 6.441 110 HE2 PHE 15 HE2 PHE 15 -7.956 -1.716 2.897 111 HZ PHE 15 HZ PHE 15 -7.778 -2.038 5.332 112 H TYR 16 HN TYR 16 -0.334 1.280 3.813 113 HA TYR 16 HA TYR 16 1.018 0.967 1.258 114 1HB TYR 16 HB2 TYR 16 1.228 3.143 2.155 115 2HB TYR 16 HB1 TYR 16 1.601 2.536 3.763 116 HD1 TYR 16 HD1 TYR 16 2.935 3.647 0.626 117 HD2 TYR 16 HD2 TYR 16 3.848 1.410 4.127 118 HE1 TYR 16 HE1 TYR 16 5.334 3.890 0.148 119 HE2 TYR 16 HE2 TYR 16 6.251 1.645 3.658 120 HH TYR 16 HH TYR 16 7.624 2.089 1.263 121 H THR 17 HN THR 17 2.278 -0.712 0.857 122 HA THR 17 HA THR 17 4.026 -1.765 2.926 123 HB THR 17 HB THR 17 2.035 -3.125 3.219 124 HG1 THR 17 HG1 THR 17 3.347 -4.721 3.461 125 1HG2 THR 17 HG21 THR 17 1.278 -4.637 1.406 126 2HG2 THR 17 HG22 THR 17 2.265 -3.705 0.280 127 3HG2 THR 17 HG23 THR 17 0.921 -2.933 1.121 128 H THR 18 HN THR 18 5.916 -2.542 2.127 129 HA THR 18 HA THR 18 6.218 -2.468 -0.797 130 HB THR 18 HB THR 18 8.503 -1.878 -0.478 131 HG1 THR 18 HG1 THR 18 9.417 -1.834 1.628 132 1HG2 THR 18 HG21 THR 18 6.469 -0.322 0.754 133 2HG2 THR 18 HG22 THR 18 7.966 0.208 -0.015 134 3HG2 THR 18 HG23 THR 18 7.950 -0.186 1.703 135 H LYS 19 HN LYS 19 7.794 -4.118 1.951 136 HA LYS 19 HA LYS 19 7.190 -6.721 1.113 137 1HB LYS 19 HB2 LYS 19 8.781 -5.925 -0.742 138 2HB LYS 19 HB1 LYS 19 10.047 -6.015 0.475 139 1HG LYS 19 HG2 LYS 19 9.940 -8.024 -0.926 140 2HG LYS 19 HG1 LYS 19 9.645 -8.376 0.778 141 1HD LYS 19 HD2 LYS 19 7.313 -8.612 0.417 142 2HD LYS 19 HD1 LYS 19 7.425 -7.925 -1.205 143 1HE LYS 19 HE2 LYS 19 8.929 -10.417 -0.515 144 2HE LYS 19 HE1 LYS 19 7.212 -10.499 -0.909 145 1HZ LYS 19 HZ1 LYS 19 9.001 -10.737 -2.763 146 2HZ LYS 19 HZ2 LYS 19 9.020 -9.047 -2.711 147 3HZ LYS 19 HZ3 LYS 19 7.582 -9.865 -3.063 Start of MODEL 5 1 1H ARG 4 HT1 ARG 4 8.179 -6.714 -5.280 2 2H ARG 4 HT2 ARG 4 7.688 -7.452 -6.749 3 3H ARG 4 HT3 ARG 4 6.602 -7.370 -5.423 4 HA ARG 4 HA ARG 4 7.720 -5.019 -6.787 5 1HB ARG 4 HB2 ARG 4 5.887 -6.900 -7.781 6 2HB ARG 4 HB1 ARG 4 4.909 -5.541 -7.245 7 1HG ARG 4 HG2 ARG 4 5.351 -4.601 -9.203 8 2HG ARG 4 HG1 ARG 4 6.993 -4.347 -8.611 9 1HD ARG 4 HD2 ARG 4 6.694 -7.040 -9.567 10 2HD ARG 4 HD1 ARG 4 6.170 -5.900 -10.804 11 HE ARG 4 HE ARG 4 8.851 -6.323 -9.855 12 1HH1 ARG 4 HH11 ARG 4 6.684 -4.063 -11.397 13 2HH1 ARG 4 HH12 ARG 4 7.955 -3.184 -12.178 14 1HH2 ARG 4 HH21 ARG 4 10.524 -5.168 -10.881 15 2HH2 ARG 4 HH22 ARG 4 10.136 -3.812 -11.885 16 H LYS 5 HN LYS 5 7.348 -3.210 -5.680 17 HA LYS 5 HA LYS 5 6.272 -3.156 -3.118 18 1HB LYS 5 HB2 LYS 5 7.651 -1.393 -4.670 19 2HB LYS 5 HB1 LYS 5 6.064 -0.636 -4.632 20 1HG LYS 5 HG2 LYS 5 6.160 -0.862 -2.119 21 2HG LYS 5 HG1 LYS 5 7.860 -1.292 -2.319 22 1HD LYS 5 HD2 LYS 5 8.408 0.855 -2.477 23 2HD LYS 5 HD1 LYS 5 7.319 1.053 -3.852 24 1HE LYS 5 HE2 LYS 5 5.633 1.895 -2.572 25 2HE LYS 5 HE1 LYS 5 6.112 0.978 -1.144 26 1HZ LYS 5 HZ1 LYS 5 8.188 2.619 -1.399 27 2HZ LYS 5 HZ2 LYS 5 6.825 2.986 -0.467 28 3HZ LYS 5 HZ3 LYS 5 6.969 3.604 -2.035 29 H ARG 6 HN ARG 6 4.388 -1.812 -2.396 30 HA ARG 6 HA ARG 6 2.155 -1.763 -4.272 31 1HB ARG 6 HB2 ARG 6 2.469 -3.708 -2.122 32 2HB ARG 6 HB1 ARG 6 0.969 -2.788 -1.980 33 1HG ARG 6 HG2 ARG 6 0.881 -3.398 -4.593 34 2HG ARG 6 HG1 ARG 6 1.795 -4.784 -3.988 35 1HD ARG 6 HD2 ARG 6 -0.488 -4.126 -2.309 36 2HD ARG 6 HD1 ARG 6 -0.953 -4.496 -3.968 37 HE ARG 6 HE ARG 6 -0.344 -6.682 -3.627 38 1HH1 ARG 6 HH11 ARG 6 0.861 -4.731 -0.995 39 2HH1 ARG 6 HH12 ARG 6 1.342 -6.093 -0.040 40 1HH2 ARG 6 HH21 ARG 6 0.287 -8.474 -2.372 41 2HH2 ARG 6 HH22 ARG 6 1.017 -8.217 -0.821 42 H ILE 7 HN ILE 7 1.219 0.155 -4.110 43 HA ILE 7 HA ILE 7 1.102 1.453 -1.468 44 HB ILE 7 HB ILE 7 1.488 2.922 -4.076 45 1HG1 ILE 7 HG12 ILE 7 3.660 3.014 -2.103 46 2HG1 ILE 7 HG11 ILE 7 3.410 1.414 -2.810 47 1HG2 ILE 7 HG21 ILE 7 0.414 3.871 -1.803 48 2HG2 ILE 7 HG22 ILE 7 1.365 4.854 -2.916 49 3HG2 ILE 7 HG23 ILE 7 2.122 4.166 -1.479 50 1HD1 ILE 7 HD11 ILE 7 4.599 3.788 -3.956 51 2HD1 ILE 7 HD12 ILE 7 3.329 3.118 -4.981 52 3HD1 ILE 7 HD13 ILE 7 4.686 2.107 -4.483 53 H HIS 8 HN HIS 8 -0.964 1.489 -0.871 54 HA HIS 8 HA HIS 8 -2.943 2.621 -2.669 55 1HB HIS 8 HB2 HIS 8 -3.449 -0.062 -1.368 56 2HB HIS 8 HB1 HIS 8 -4.516 0.807 -2.476 57 HD1 HIS 8 HD1 HIS 8 -3.784 0.865 -5.003 58 HD2 HIS 8 HD2 HIS 8 -1.503 -1.610 -2.565 59 HE1 HIS 8 HE1 HIS 8 -2.486 -0.612 -6.571 60 HE2 HIS 8 HE2 HIS 8 -1.181 -2.161 -5.072 61 H ILE 9 HN ILE 9 -3.805 4.198 -1.502 62 HA ILE 9 HA ILE 9 -4.676 3.614 1.236 63 HB ILE 9 HB ILE 9 -3.256 6.174 0.503 64 1HG1 ILE 9 HG12 ILE 9 -1.702 4.896 2.390 65 2HG1 ILE 9 HG11 ILE 9 -2.222 3.565 1.355 66 1HG2 ILE 9 HG21 ILE 9 -4.226 5.060 3.130 67 2HG2 ILE 9 HG22 ILE 9 -4.853 6.470 2.277 68 3HG2 ILE 9 HG23 ILE 9 -3.227 6.504 2.959 69 1HD1 ILE 9 HD11 ILE 9 -0.087 5.236 0.914 70 2HD1 ILE 9 HD12 ILE 9 -1.331 5.872 -0.163 71 3HD1 ILE 9 HD13 ILE 9 -0.847 4.179 -0.277 72 H GLY 10 HN GLY 10 -6.832 3.730 0.949 73 1HA GLY 10 HA2 GLY 10 -7.888 6.240 -0.199 74 2HA GLY 10 HA1 GLY 10 -8.598 4.677 -0.590 75 HA PRO 11 HA PRO 11 -11.488 6.150 2.628 76 1HB PRO 11 HB2 PRO 11 -12.506 3.417 1.983 77 2HB PRO 11 HB1 PRO 11 -13.398 4.932 2.171 78 1HG PRO 11 HG2 PRO 11 -12.935 3.939 -0.248 79 2HG PRO 11 HG1 PRO 11 -12.822 5.684 0.047 80 1HD PRO 11 HD2 PRO 11 -10.642 3.677 -0.308 81 2HD PRO 11 HD1 PRO 11 -10.708 5.375 -0.819 82 H GLY 12 HN GLY 12 -9.744 5.934 4.224 83 1HA GLY 12 HA2 GLY 12 -8.697 4.943 6.027 84 2HA GLY 12 HA1 GLY 12 -10.243 4.136 6.268 85 H ARG 13 HN ARG 13 -8.442 3.711 3.344 86 HA ARG 13 HA ARG 13 -8.021 0.903 4.034 87 1HB ARG 13 HB2 ARG 13 -8.309 2.366 1.426 88 2HB ARG 13 HB1 ARG 13 -7.685 0.719 1.497 89 1HG ARG 13 HG2 ARG 13 -9.709 -0.162 1.862 90 2HG ARG 13 HG1 ARG 13 -10.178 1.124 2.980 91 1HD ARG 13 HD2 ARG 13 -11.535 1.001 0.882 92 2HD ARG 13 HD1 ARG 13 -10.780 2.568 1.194 93 HE ARG 13 HE ARG 13 -8.974 1.390 -0.398 94 1HH1 ARG 13 HH11 ARG 13 -12.439 1.717 -0.691 95 2HH1 ARG 13 HH12 ARG 13 -12.417 1.712 -2.423 96 1HH2 ARG 13 HH21 ARG 13 -8.947 1.385 -2.674 97 2HH2 ARG 13 HH22 ARG 13 -10.435 1.524 -3.548 98 H ALA 14 HN ALA 14 -6.141 1.937 5.327 99 HA ALA 14 HA ALA 14 -3.850 2.849 3.922 100 1HB ALA 14 HB1 ALA 14 -3.441 1.545 6.536 101 2HB ALA 14 HB2 ALA 14 -4.577 2.894 6.512 102 3HB ALA 14 HB3 ALA 14 -2.919 3.128 5.961 103 H PHE 15 HN PHE 15 -3.327 1.421 2.282 104 HA PHE 15 HA PHE 15 -2.310 -1.200 3.168 105 1HB PHE 15 HB2 PHE 15 -3.643 -0.488 0.550 106 2HB PHE 15 HB1 PHE 15 -2.844 -2.024 0.868 107 HD1 PHE 15 HD1 PHE 15 -5.890 -0.241 1.013 108 HD2 PHE 15 HD2 PHE 15 -3.707 -3.364 2.907 109 HE1 PHE 15 HE1 PHE 15 -7.983 -1.124 1.959 110 HE2 PHE 15 HE2 PHE 15 -5.795 -4.253 3.857 111 HZ PHE 15 HZ PHE 15 -7.937 -3.134 3.383 112 H TYR 16 HN TYR 16 -0.785 1.186 3.142 113 HA TYR 16 HA TYR 16 0.873 1.061 0.754 114 1HB TYR 16 HB2 TYR 16 0.447 3.276 1.518 115 2HB TYR 16 HB1 TYR 16 0.862 2.862 3.177 116 HD1 TYR 16 HD1 TYR 16 2.822 3.814 3.904 117 HD2 TYR 16 HD2 TYR 16 2.540 2.601 -0.164 118 HE1 TYR 16 HE1 TYR 16 5.127 4.581 3.522 119 HE2 TYR 16 HE2 TYR 16 4.846 3.364 -0.556 120 HH TYR 16 HH TYR 16 6.960 4.219 2.000 121 H THR 17 HN THR 17 1.995 -0.840 0.825 122 HA THR 17 HA THR 17 3.906 -1.120 3.045 123 HB THR 17 HB THR 17 3.688 -3.546 2.926 124 HG1 THR 17 HG1 THR 17 2.242 -4.508 1.558 125 1HG2 THR 17 HG21 THR 17 1.619 -3.853 3.957 126 2HG2 THR 17 HG22 THR 17 0.882 -2.515 3.076 127 3HG2 THR 17 HG23 THR 17 2.068 -2.191 4.339 128 H THR 18 HN THR 18 5.977 -1.594 2.501 129 HA THR 18 HA THR 18 6.570 -1.708 -0.376 130 HB THR 18 HB THR 18 8.725 -0.763 0.134 131 HG1 THR 18 HG1 THR 18 8.004 -0.861 2.872 132 1HG2 THR 18 HG21 THR 18 6.327 0.594 0.800 133 2HG2 THR 18 HG22 THR 18 7.849 1.258 0.205 134 3HG2 THR 18 HG23 THR 18 7.581 1.080 1.939 135 H LYS 19 HN LYS 19 8.110 -2.830 2.645 136 HA LYS 19 HA LYS 19 9.228 -4.743 3.161 137 1HB LYS 19 HB2 LYS 19 7.035 -5.726 1.364 138 2HB LYS 19 HB1 LYS 19 8.234 -6.847 1.994 139 1HG LYS 19 HG2 LYS 19 6.746 -5.028 3.842 140 2HG LYS 19 HG1 LYS 19 6.012 -6.525 3.264 141 1HD LYS 19 HD2 LYS 19 7.147 -7.685 4.783 142 2HD LYS 19 HD1 LYS 19 8.670 -7.100 4.111 143 1HE LYS 19 HE2 LYS 19 7.830 -4.932 5.527 144 2HE LYS 19 HE1 LYS 19 7.212 -6.256 6.515 145 1HZ LYS 19 HZ1 LYS 19 9.952 -5.440 6.013 146 2HZ LYS 19 HZ2 LYS 19 9.683 -7.110 6.025 147 3HZ LYS 19 HZ3 LYS 19 9.272 -6.179 7.376 Start of MODEL 6 1 1H ARG 4 HT1 ARG 4 10.283 -4.034 -5.745 2 2H ARG 4 HT2 ARG 4 9.829 -2.441 -5.295 3 3H ARG 4 HT3 ARG 4 10.109 -2.822 -6.945 4 HA ARG 4 HA ARG 4 7.850 -2.770 -6.771 5 1HB ARG 4 HB2 ARG 4 8.798 -5.617 -6.380 6 2HB ARG 4 HB1 ARG 4 7.213 -5.170 -6.994 7 1HG ARG 4 HG2 ARG 4 9.738 -4.261 -8.331 8 2HG ARG 4 HG1 ARG 4 9.000 -5.823 -8.686 9 1HD ARG 4 HD2 ARG 4 7.541 -3.195 -8.887 10 2HD ARG 4 HD1 ARG 4 8.360 -3.965 -10.243 11 HE ARG 4 HE ARG 4 6.716 -5.612 -10.291 12 1HH1 ARG 4 HH11 ARG 4 6.182 -3.405 -7.633 13 2HH1 ARG 4 HH12 ARG 4 4.555 -3.930 -7.366 14 1HH2 ARG 4 HH21 ARG 4 4.577 -6.297 -9.935 15 2HH2 ARG 4 HH22 ARG 4 3.644 -5.569 -8.669 16 H LYS 5 HN LYS 5 5.877 -3.220 -5.670 17 HA LYS 5 HA LYS 5 5.715 -4.479 -3.161 18 1HB LYS 5 HB2 LYS 5 5.570 -2.640 -1.649 19 2HB LYS 5 HB1 LYS 5 7.085 -2.481 -2.526 20 1HG LYS 5 HG2 LYS 5 5.260 -1.037 -4.036 21 2HG LYS 5 HG1 LYS 5 4.841 -0.671 -2.360 22 1HD LYS 5 HD2 LYS 5 7.716 -0.636 -3.071 23 2HD LYS 5 HD1 LYS 5 6.716 0.670 -3.710 24 1HE LYS 5 HE2 LYS 5 5.883 0.545 -1.120 25 2HE LYS 5 HE1 LYS 5 7.587 0.122 -0.968 26 1HZ LYS 5 HZ1 LYS 5 8.226 2.193 -1.470 27 2HZ LYS 5 HZ2 LYS 5 6.643 2.635 -1.070 28 3HZ LYS 5 HZ3 LYS 5 7.066 2.383 -2.688 29 H ARG 6 HN ARG 6 3.675 -3.024 -1.957 30 HA ARG 6 HA ARG 6 1.641 -2.667 -4.029 31 1HB ARG 6 HB2 ARG 6 1.764 -4.852 -2.076 32 2HB ARG 6 HB1 ARG 6 0.224 -3.989 -2.076 33 1HG ARG 6 HG2 ARG 6 -0.100 -4.447 -4.406 34 2HG ARG 6 HG1 ARG 6 1.519 -5.144 -4.538 35 1HD ARG 6 HD2 ARG 6 0.603 -6.709 -2.611 36 2HD ARG 6 HD1 ARG 6 -0.950 -6.271 -3.321 37 HE ARG 6 HE ARG 6 1.053 -7.993 -4.453 38 1HH1 ARG 6 HH11 ARG 6 -1.645 -5.896 -5.161 39 2HH1 ARG 6 HH12 ARG 6 -2.010 -6.666 -6.669 40 1HH2 ARG 6 HH21 ARG 6 0.576 -9.007 -6.435 41 2HH2 ARG 6 HH22 ARG 6 -0.748 -8.432 -7.392 42 H ILE 7 HN ILE 7 1.417 -0.511 -3.645 43 HA ILE 7 HA ILE 7 0.645 0.294 -0.916 44 HB ILE 7 HB ILE 7 1.450 2.277 -3.008 45 1HG1 ILE 7 HG12 ILE 7 3.756 1.944 -1.574 46 2HG1 ILE 7 HG11 ILE 7 3.192 0.276 -1.723 47 1HG2 ILE 7 HG21 ILE 7 2.446 3.094 -0.609 48 2HG2 ILE 7 HG22 ILE 7 0.996 2.218 -0.120 49 3HG2 ILE 7 HG23 ILE 7 0.875 3.554 -1.264 50 1HD1 ILE 7 HD11 ILE 7 3.411 0.273 -4.013 51 2HD1 ILE 7 HD12 ILE 7 4.773 1.276 -3.514 52 3HD1 ILE 7 HD13 ILE 7 3.303 2.029 -4.134 53 H HIS 8 HN HIS 8 -1.497 0.449 -0.720 54 HA HIS 8 HA HIS 8 -3.004 1.708 -2.915 55 1HB HIS 8 HB2 HIS 8 -4.135 -0.457 -1.143 56 2HB HIS 8 HB1 HIS 8 -4.819 0.198 -2.635 57 HD1 HIS 8 HD1 HIS 8 -3.520 -2.800 -1.620 58 HD2 HIS 8 HD2 HIS 8 -2.481 -0.267 -4.746 59 HE1 HIS 8 HE1 HIS 8 -2.309 -4.247 -3.283 60 HE2 HIS 8 HE2 HIS 8 -1.753 -2.707 -5.197 61 H ILE 9 HN ILE 9 -4.176 3.417 -2.353 62 HA ILE 9 HA ILE 9 -4.751 3.833 0.509 63 HB ILE 9 HB ILE 9 -4.807 6.327 -0.190 64 1HG1 ILE 9 HG12 ILE 9 -4.547 5.673 -2.659 65 2HG1 ILE 9 HG11 ILE 9 -3.542 6.995 -2.066 66 1HG2 ILE 9 HG21 ILE 9 -2.101 6.146 -0.116 67 2HG2 ILE 9 HG22 ILE 9 -2.572 4.571 0.522 68 3HG2 ILE 9 HG23 ILE 9 -3.154 6.045 1.295 69 1HD1 ILE 9 HD11 ILE 9 -2.190 4.471 -1.770 70 2HD1 ILE 9 HD12 ILE 9 -1.693 5.924 -2.638 71 3HD1 ILE 9 HD13 ILE 9 -2.711 4.726 -3.436 72 H GLY 10 HN GLY 10 -6.824 4.123 1.061 73 1HA GLY 10 HA2 GLY 10 -8.731 4.977 -1.007 74 2HA GLY 10 HA1 GLY 10 -9.031 3.476 -0.139 75 HA PRO 11 HA PRO 11 -11.345 6.707 2.176 76 1HB PRO 11 HB2 PRO 11 -12.972 4.371 2.939 77 2HB PRO 11 HB1 PRO 11 -13.473 5.896 2.198 78 1HG PRO 11 HG2 PRO 11 -13.455 3.590 0.818 79 2HG PRO 11 HG1 PRO 11 -13.059 5.142 0.056 80 1HD PRO 11 HD2 PRO 11 -11.223 2.969 0.997 81 2HD PRO 11 HD1 PRO 11 -11.141 3.952 -0.480 82 H GLY 12 HN GLY 12 -9.219 6.501 3.417 83 1HA GLY 12 HA2 GLY 12 -8.263 6.374 5.507 84 2HA GLY 12 HA1 GLY 12 -9.821 5.840 6.121 85 H ARG 13 HN ARG 13 -8.303 4.133 3.513 86 HA ARG 13 HA ARG 13 -7.691 1.931 5.364 87 1HB ARG 13 HB2 ARG 13 -7.852 0.815 2.806 88 2HB ARG 13 HB1 ARG 13 -9.024 0.655 4.108 89 1HG ARG 13 HG2 ARG 13 -9.255 3.085 2.444 90 2HG ARG 13 HG1 ARG 13 -9.626 1.551 1.659 91 1HD ARG 13 HD2 ARG 13 -11.471 2.940 2.949 92 2HD ARG 13 HD1 ARG 13 -11.468 1.176 2.939 93 HE ARG 13 HE ARG 13 -10.019 2.333 5.140 94 1HH1 ARG 13 HH11 ARG 13 -13.148 1.288 4.004 95 2HH1 ARG 13 HH12 ARG 13 -13.779 1.036 5.597 96 1HH2 ARG 13 HH21 ARG 13 -10.847 2.002 7.235 97 2HH2 ARG 13 HH22 ARG 13 -12.475 1.442 7.431 98 H ALA 14 HN ALA 14 -5.613 3.045 5.625 99 HA ALA 14 HA ALA 14 -3.789 3.367 3.499 100 1HB ALA 14 HB1 ALA 14 -3.383 4.571 5.494 101 2HB ALA 14 HB2 ALA 14 -2.069 3.405 5.345 102 3HB ALA 14 HB3 ALA 14 -3.394 3.102 6.469 103 H PHE 15 HN PHE 15 -3.456 1.624 2.213 104 HA PHE 15 HA PHE 15 -2.588 -0.878 3.496 105 1HB PHE 15 HB2 PHE 15 -3.831 -0.322 0.805 106 2HB PHE 15 HB1 PHE 15 -3.038 -1.851 1.170 107 HD1 PHE 15 HD1 PHE 15 -3.858 -2.425 3.878 108 HD2 PHE 15 HD2 PHE 15 -6.093 -0.721 0.682 109 HE1 PHE 15 HE1 PHE 15 -5.938 -3.261 4.893 110 HE2 PHE 15 HE2 PHE 15 -8.177 -1.553 1.691 111 HZ PHE 15 HZ PHE 15 -8.101 -2.825 3.799 112 H TYR 16 HN TYR 16 -0.667 0.913 3.590 113 HA TYR 16 HA TYR 16 1.012 0.750 1.218 114 1HB TYR 16 HB2 TYR 16 0.686 2.796 2.826 115 2HB TYR 16 HB1 TYR 16 1.889 1.974 3.811 116 HD1 TYR 16 HD1 TYR 16 3.637 0.863 1.648 117 HD2 TYR 16 HD2 TYR 16 1.834 4.691 2.089 118 HE1 TYR 16 HE1 TYR 16 5.424 1.855 0.287 119 HE2 TYR 16 HE2 TYR 16 3.618 5.694 0.726 120 HH TYR 16 HH TYR 16 6.208 4.914 0.222 121 H THR 17 HN THR 17 2.095 -1.096 0.942 122 HA THR 17 HA THR 17 3.623 -2.147 3.217 123 HB THR 17 HB THR 17 1.807 -3.656 3.133 124 HG1 THR 17 HG1 THR 17 2.795 -5.569 2.352 125 1HG2 THR 17 HG21 THR 17 2.130 -3.699 0.145 126 2HG2 THR 17 HG22 THR 17 0.751 -3.099 1.069 127 3HG2 THR 17 HG23 THR 17 1.123 -4.823 1.058 128 H THR 18 HN THR 18 5.649 -1.720 2.622 129 HA THR 18 HA THR 18 6.475 -1.983 -0.151 130 HB THR 18 HB THR 18 8.454 -0.846 0.464 131 HG1 THR 18 HG1 THR 18 9.365 -1.123 2.324 132 1HG2 THR 18 HG21 THR 18 5.973 0.236 1.262 133 2HG2 THR 18 HG22 THR 18 7.444 1.087 0.787 134 3HG2 THR 18 HG23 THR 18 7.169 0.680 2.481 135 H LYS 19 HN LYS 19 8.596 -3.078 -0.595 136 HA LYS 19 HA LYS 19 8.953 -5.468 1.084 137 1HB LYS 19 HB2 LYS 19 9.134 -5.530 -1.924 138 2HB LYS 19 HB1 LYS 19 9.083 -6.892 -0.814 139 1HG LYS 19 HG2 LYS 19 6.763 -6.275 -0.225 140 2HG LYS 19 HG1 LYS 19 6.831 -4.995 -1.437 141 1HD LYS 19 HD2 LYS 19 7.297 -6.703 -3.162 142 2HD LYS 19 HD1 LYS 19 7.128 -7.957 -1.933 143 1HE LYS 19 HE2 LYS 19 4.819 -6.576 -1.589 144 2HE LYS 19 HE1 LYS 19 5.076 -6.372 -3.321 145 1HZ LYS 19 HZ1 LYS 19 4.427 -8.766 -1.813 146 2HZ LYS 19 HZ2 LYS 19 5.555 -8.973 -3.057 147 3HZ LYS 19 HZ3 LYS 19 4.023 -8.342 -3.401 Start of MODEL 7 1 1H ARG 4 HT1 ARG 4 10.304 -4.555 -7.093 2 2H ARG 4 HT2 ARG 4 9.332 -5.762 -6.357 3 3H ARG 4 HT3 ARG 4 10.245 -4.684 -5.384 4 HA ARG 4 HA ARG 4 8.950 -2.848 -6.269 5 1HB ARG 4 HB2 ARG 4 7.175 -5.039 -7.350 6 2HB ARG 4 HB1 ARG 4 6.979 -3.305 -7.560 7 1HG ARG 4 HG2 ARG 4 9.339 -3.504 -8.697 8 2HG ARG 4 HG1 ARG 4 8.840 -5.183 -8.916 9 1HD ARG 4 HD2 ARG 4 7.369 -2.723 -9.853 10 2HD ARG 4 HD1 ARG 4 8.229 -3.885 -10.863 11 HE ARG 4 HE ARG 4 5.581 -4.137 -9.835 12 1HH1 ARG 4 HH11 ARG 4 8.414 -5.958 -10.753 13 2HH1 ARG 4 HH12 ARG 4 7.524 -7.403 -11.102 14 1HH2 ARG 4 HH21 ARG 4 4.411 -6.037 -10.292 15 2HH2 ARG 4 HH22 ARG 4 5.253 -7.449 -10.841 16 H LYS 5 HN LYS 5 6.505 -2.568 -5.528 17 HA LYS 5 HA LYS 5 5.934 -4.281 -3.228 18 1HB LYS 5 HB2 LYS 5 5.752 -2.490 -1.689 19 2HB LYS 5 HB1 LYS 5 7.306 -2.302 -2.489 20 1HG LYS 5 HG2 LYS 5 5.578 -0.814 -4.051 21 2HG LYS 5 HG1 LYS 5 5.030 -0.512 -2.402 22 1HD LYS 5 HD2 LYS 5 7.949 -0.421 -2.901 23 2HD LYS 5 HD1 LYS 5 6.975 0.902 -3.552 24 1HE LYS 5 HE2 LYS 5 5.972 0.654 -1.030 25 2HE LYS 5 HE1 LYS 5 7.670 0.250 -0.783 26 1HZ LYS 5 HZ1 LYS 5 7.494 2.564 -0.508 27 2HZ LYS 5 HZ2 LYS 5 6.542 2.752 -1.893 28 3HZ LYS 5 HZ3 LYS 5 8.179 2.351 -2.040 29 H ARG 6 HN ARG 6 3.832 -3.002 -2.134 30 HA ARG 6 HA ARG 6 1.955 -2.478 -4.328 31 1HB ARG 6 HB2 ARG 6 1.394 -4.320 -1.992 32 2HB ARG 6 HB1 ARG 6 0.260 -3.894 -3.276 33 1HG ARG 6 HG2 ARG 6 2.845 -5.395 -3.656 34 2HG ARG 6 HG1 ARG 6 1.233 -6.118 -3.591 35 1HD ARG 6 HD2 ARG 6 2.048 -4.018 -5.593 36 2HD ARG 6 HD1 ARG 6 2.152 -5.752 -5.900 37 HE ARG 6 HE ARG 6 -0.450 -5.093 -5.046 38 1HH1 ARG 6 HH11 ARG 6 1.667 -4.729 -7.796 39 2HH1 ARG 6 HH12 ARG 6 0.371 -4.663 -8.943 40 1HH2 ARG 6 HH21 ARG 6 -2.157 -5.007 -6.554 41 2HH2 ARG 6 HH22 ARG 6 -1.799 -4.821 -8.238 42 H ILE 7 HN ILE 7 1.681 -0.346 -3.916 43 HA ILE 7 HA ILE 7 1.025 0.488 -1.184 44 HB ILE 7 HB ILE 7 1.508 2.262 -3.575 45 1HG1 ILE 7 HG12 ILE 7 3.626 2.167 -1.567 46 2HG1 ILE 7 HG11 ILE 7 3.391 0.609 -2.369 47 1HG2 ILE 7 HG21 ILE 7 1.047 2.700 -0.675 48 2HG2 ILE 7 HG22 ILE 7 0.503 3.640 -2.064 49 3HG2 ILE 7 HG23 ILE 7 2.171 3.774 -1.509 50 1HD1 ILE 7 HD11 ILE 7 3.358 2.503 -4.414 51 2HD1 ILE 7 HD12 ILE 7 4.653 1.374 -4.015 52 3HD1 ILE 7 HD13 ILE 7 4.660 3.000 -3.333 53 H HIS 8 HN HIS 8 -1.049 0.585 -0.653 54 HA HIS 8 HA HIS 8 -2.971 1.611 -2.615 55 1HB HIS 8 HB2 HIS 8 -3.431 -0.839 -0.894 56 2HB HIS 8 HB1 HIS 8 -4.615 -0.098 -1.976 57 HD1 HIS 8 HD1 HIS 8 -4.740 -1.123 -4.221 58 HD2 HIS 8 HD2 HIS 8 -1.041 -1.763 -2.439 59 HE1 HIS 8 HE1 HIS 8 -3.469 -2.592 -5.818 60 HE2 HIS 8 HE2 HIS 8 -1.197 -2.875 -4.769 61 H ILE 9 HN ILE 9 -4.072 3.258 -1.796 62 HA ILE 9 HA ILE 9 -4.798 3.255 1.037 63 HB ILE 9 HB ILE 9 -3.532 5.673 -0.249 64 1HG1 ILE 9 HG12 ILE 9 -1.734 5.029 1.602 65 2HG1 ILE 9 HG11 ILE 9 -2.350 3.405 1.293 66 1HG2 ILE 9 HG21 ILE 9 -4.498 5.038 2.522 67 2HG2 ILE 9 HG22 ILE 9 -4.973 6.370 1.469 68 3HG2 ILE 9 HG23 ILE 9 -3.367 6.351 2.198 69 1HD1 ILE 9 HD11 ILE 9 -1.193 3.253 -0.589 70 2HD1 ILE 9 HD12 ILE 9 -0.385 4.750 -0.123 71 3HD1 ILE 9 HD13 ILE 9 -1.804 4.802 -1.169 72 H GLY 10 HN GLY 10 -6.963 3.261 0.843 73 1HA GLY 10 HA2 GLY 10 -8.157 5.297 -0.942 74 2HA GLY 10 HA1 GLY 10 -8.882 3.718 -0.653 75 HA PRO 11 HA PRO 11 -11.421 6.409 2.042 76 1HB PRO 11 HB2 PRO 11 -12.587 3.700 2.498 77 2HB PRO 11 HB1 PRO 11 -13.404 5.238 2.187 78 1HG PRO 11 HG2 PRO 11 -13.193 3.406 0.268 79 2HG PRO 11 HG1 PRO 11 -13.020 5.132 -0.099 80 1HD PRO 11 HD2 PRO 11 -10.926 3.019 0.108 81 2HD PRO 11 HD1 PRO 11 -11.003 4.433 -0.959 82 H GLY 12 HN GLY 12 -9.554 6.668 3.470 83 1HA GLY 12 HA2 GLY 12 -8.368 6.318 5.416 84 2HA GLY 12 HA1 GLY 12 -9.904 5.737 6.049 85 H ARG 13 HN ARG 13 -8.399 4.187 3.344 86 HA ARG 13 HA ARG 13 -8.021 1.782 4.951 87 1HB ARG 13 HB2 ARG 13 -8.337 2.274 2.002 88 2HB ARG 13 HB1 ARG 13 -7.799 0.719 2.633 89 1HG ARG 13 HG2 ARG 13 -9.856 0.143 3.295 90 2HG ARG 13 HG1 ARG 13 -10.209 1.756 3.927 91 1HD ARG 13 HD2 ARG 13 -11.126 2.469 1.982 92 2HD ARG 13 HD1 ARG 13 -10.049 1.483 0.989 93 HE ARG 13 HE ARG 13 -12.641 0.746 1.994 94 1HH1 ARG 13 HH11 ARG 13 -9.571 -0.447 0.839 95 2HH1 ARG 13 HH12 ARG 13 -10.210 -1.981 0.350 96 1HH2 ARG 13 HH21 ARG 13 -13.483 -1.271 1.351 97 2HH2 ARG 13 HH22 ARG 13 -12.430 -2.449 0.639 98 H ALA 14 HN ALA 14 -6.048 3.112 5.759 99 HA ALA 14 HA ALA 14 -3.790 3.493 4.153 100 1HB ALA 14 HB1 ALA 14 -2.746 4.123 6.057 101 2HB ALA 14 HB2 ALA 14 -3.324 2.727 6.966 102 3HB ALA 14 HB3 ALA 14 -4.389 4.107 6.694 103 H PHE 15 HN PHE 15 -3.562 1.669 2.809 104 HA PHE 15 HA PHE 15 -2.465 -0.703 4.173 105 1HB PHE 15 HB2 PHE 15 -4.038 -0.602 1.591 106 2HB PHE 15 HB1 PHE 15 -3.281 -2.046 2.254 107 HD1 PHE 15 HD1 PHE 15 -6.315 -1.002 1.678 108 HD2 PHE 15 HD2 PHE 15 -3.921 -1.827 5.099 109 HE1 PHE 15 HE1 PHE 15 -8.348 -1.463 2.985 110 HE2 PHE 15 HE2 PHE 15 -5.950 -2.291 6.411 111 HZ PHE 15 HZ PHE 15 -8.167 -2.110 5.354 112 H TYR 16 HN TYR 16 -0.680 1.173 3.753 113 HA TYR 16 HA TYR 16 0.552 0.853 1.136 114 1HB TYR 16 HB2 TYR 16 0.688 3.077 1.834 115 2HB TYR 16 HB1 TYR 16 1.034 2.638 3.501 116 HD1 TYR 16 HD1 TYR 16 2.652 1.861 0.212 117 HD2 TYR 16 HD2 TYR 16 3.104 3.394 4.155 118 HE1 TYR 16 HE1 TYR 16 5.051 2.204 -0.202 119 HE2 TYR 16 HE2 TYR 16 5.505 3.742 3.751 120 HH TYR 16 HH TYR 16 7.036 4.033 1.886 121 H THR 17 HN THR 17 1.517 -1.085 0.923 122 HA THR 17 HA THR 17 3.392 -1.916 3.041 123 HB THR 17 HB THR 17 1.636 -3.544 2.820 124 HG1 THR 17 HG1 THR 17 3.890 -4.507 1.401 125 1HG2 THR 17 HG21 THR 17 0.784 -3.037 0.619 126 2HG2 THR 17 HG22 THR 17 1.205 -4.747 0.735 127 3HG2 THR 17 HG23 THR 17 2.273 -3.632 -0.117 128 H THR 18 HN THR 18 5.474 -1.855 2.540 129 HA THR 18 HA THR 18 6.270 -1.394 -0.218 130 HB THR 18 HB THR 18 8.437 -0.817 0.680 131 HG1 THR 18 HG1 THR 18 7.414 -1.831 3.119 132 1HG2 THR 18 HG21 THR 18 7.750 1.170 1.352 133 2HG2 THR 18 HG22 THR 18 7.110 0.496 2.851 134 3HG2 THR 18 HG23 THR 18 6.105 0.538 1.402 135 H LYS 19 HN LYS 19 8.704 -2.441 -0.477 136 HA LYS 19 HA LYS 19 8.164 -5.237 -0.837 137 1HB LYS 19 HB2 LYS 19 10.481 -5.284 -1.779 138 2HB LYS 19 HB1 LYS 19 9.417 -4.111 -2.543 139 1HG LYS 19 HG2 LYS 19 10.464 -2.301 -1.417 140 2HG LYS 19 HG1 LYS 19 11.364 -3.397 -0.367 141 1HD LYS 19 HD2 LYS 19 12.577 -4.252 -2.328 142 2HD LYS 19 HD1 LYS 19 11.694 -3.120 -3.355 143 1HE LYS 19 HE2 LYS 19 12.691 -1.475 -1.413 144 2HE LYS 19 HE1 LYS 19 13.977 -2.670 -1.576 145 1HZ LYS 19 HZ1 LYS 19 13.076 -0.649 -3.456 146 2HZ LYS 19 HZ2 LYS 19 13.456 -2.152 -4.132 147 3HZ LYS 19 HZ3 LYS 19 14.617 -1.314 -3.233 Start of MODEL 8 1 1H ARG 4 HT1 ARG 4 8.937 -6.197 -6.368 2 2H ARG 4 HT2 ARG 4 9.175 -5.372 -4.882 3 3H ARG 4 HT3 ARG 4 8.173 -4.689 -6.094 4 HA ARG 4 HA ARG 4 6.645 -6.503 -5.876 5 1HB ARG 4 HB2 ARG 4 8.413 -7.333 -3.568 6 2HB ARG 4 HB1 ARG 4 6.952 -8.142 -4.115 7 1HG ARG 4 HG2 ARG 4 8.467 -9.482 -5.119 8 2HG ARG 4 HG1 ARG 4 8.345 -8.255 -6.381 9 1HD ARG 4 HD2 ARG 4 10.647 -8.560 -6.073 10 2HD ARG 4 HD1 ARG 4 10.272 -7.082 -5.188 11 HE ARG 4 HE ARG 4 10.825 -8.147 -3.234 12 1HH1 ARG 4 HH11 ARG 4 10.459 -10.525 -5.760 13 2HH1 ARG 4 HH12 ARG 4 11.101 -11.820 -4.806 14 1HH2 ARG 4 HH21 ARG 4 11.671 -9.847 -1.977 15 2HH2 ARG 4 HH22 ARG 4 11.789 -11.435 -2.658 16 H LYS 5 HN LYS 5 6.643 -3.836 -5.291 17 HA LYS 5 HA LYS 5 5.569 -3.698 -2.555 18 1HB LYS 5 HB2 LYS 5 7.199 -2.109 -2.451 19 2HB LYS 5 HB1 LYS 5 7.213 -1.860 -4.187 20 1HG LYS 5 HG2 LYS 5 5.082 -0.570 -3.924 21 2HG LYS 5 HG1 LYS 5 5.319 -0.676 -2.178 22 1HD LYS 5 HD2 LYS 5 7.144 0.626 -4.195 23 2HD LYS 5 HD1 LYS 5 6.179 1.428 -2.957 24 1HE LYS 5 HE2 LYS 5 7.578 -0.215 -1.392 25 2HE LYS 5 HE1 LYS 5 8.729 -0.057 -2.717 26 1HZ LYS 5 HZ1 LYS 5 7.498 2.324 -1.480 27 2HZ LYS 5 HZ2 LYS 5 8.930 2.217 -2.375 28 3HZ LYS 5 HZ3 LYS 5 8.868 1.600 -0.801 29 H ARG 6 HN ARG 6 3.825 -2.001 -2.320 30 HA ARG 6 HA ARG 6 2.298 -1.242 -4.579 31 1HB ARG 6 HB2 ARG 6 1.619 -3.781 -3.206 32 2HB ARG 6 HB1 ARG 6 0.269 -2.701 -3.559 33 1HG ARG 6 HG2 ARG 6 1.399 -2.647 -5.947 34 2HG ARG 6 HG1 ARG 6 2.039 -4.206 -5.409 35 1HD ARG 6 HD2 ARG 6 -0.224 -4.986 -4.950 36 2HD ARG 6 HD1 ARG 6 -0.875 -3.423 -5.439 37 HE ARG 6 HE ARG 6 0.699 -4.637 -7.491 38 1HH1 ARG 6 HH11 ARG 6 -2.459 -4.618 -6.007 39 2HH1 ARG 6 HH12 ARG 6 -3.267 -5.197 -7.426 40 1HH2 ARG 6 HH21 ARG 6 -0.360 -5.403 -9.357 41 2HH2 ARG 6 HH22 ARG 6 -2.075 -5.644 -9.327 42 H ILE 7 HN ILE 7 1.612 0.684 -3.937 43 HA ILE 7 HA ILE 7 0.603 0.970 -1.179 44 HB ILE 7 HB ILE 7 1.833 3.209 -2.775 45 1HG1 ILE 7 HG12 ILE 7 3.372 2.032 -0.532 46 2HG1 ILE 7 HG11 ILE 7 3.296 1.060 -2.004 47 1HG2 ILE 7 HG21 ILE 7 0.338 3.849 -0.956 48 2HG2 ILE 7 HG22 ILE 7 2.006 4.300 -0.603 49 3HG2 ILE 7 HG23 ILE 7 1.291 2.886 0.172 50 1HD1 ILE 7 HD11 ILE 7 3.977 3.927 -2.287 51 2HD1 ILE 7 HD12 ILE 7 4.543 2.528 -3.198 52 3HD1 ILE 7 HD13 ILE 7 5.189 2.853 -1.589 53 H HIS 8 HN HIS 8 -1.466 1.523 -1.024 54 HA HIS 8 HA HIS 8 -2.677 3.287 -2.987 55 1HB HIS 8 HB2 HIS 8 -3.823 0.540 -2.434 56 2HB HIS 8 HB1 HIS 8 -4.557 1.787 -3.449 57 HD1 HIS 8 HD1 HIS 8 -3.069 2.448 -5.630 58 HD2 HIS 8 HD2 HIS 8 -2.168 -1.155 -3.767 59 HE1 HIS 8 HE1 HIS 8 -1.754 1.129 -7.319 60 HE2 HIS 8 HE2 HIS 8 -1.288 -1.078 -6.198 61 H ILE 9 HN ILE 9 -3.623 4.802 -1.799 62 HA ILE 9 HA ILE 9 -4.662 4.110 0.852 63 HB ILE 9 HB ILE 9 -4.280 6.853 -0.353 64 1HG1 ILE 9 HG12 ILE 9 -2.384 6.752 1.518 65 2HG1 ILE 9 HG11 ILE 9 -2.453 5.030 1.142 66 1HG2 ILE 9 HG21 ILE 9 -5.808 7.162 1.347 67 2HG2 ILE 9 HG22 ILE 9 -4.280 7.389 2.197 68 3HG2 ILE 9 HG23 ILE 9 -5.142 5.855 2.326 69 1HD1 ILE 9 HD11 ILE 9 -2.053 7.171 -0.929 70 2HD1 ILE 9 HD12 ILE 9 -1.870 5.429 -1.127 71 3HD1 ILE 9 HD13 ILE 9 -0.735 6.326 -0.118 72 H GLY 10 HN GLY 10 -6.772 4.050 1.298 73 1HA GLY 10 HA2 GLY 10 -8.640 5.138 -0.722 74 2HA GLY 10 HA1 GLY 10 -8.916 3.606 0.100 75 HA PRO 11 HA PRO 11 -11.194 6.798 2.511 76 1HB PRO 11 HB2 PRO 11 -13.433 5.329 2.904 77 2HB PRO 11 HB1 PRO 11 -13.160 6.280 1.438 78 1HG PRO 11 HG2 PRO 11 -12.855 3.346 1.875 79 2HG PRO 11 HG1 PRO 11 -13.484 4.212 0.466 80 1HD PRO 11 HD2 PRO 11 -10.945 3.179 0.632 81 2HD PRO 11 HD1 PRO 11 -11.400 4.537 -0.414 82 H GLY 12 HN GLY 12 -9.203 5.771 3.785 83 1HA GLY 12 HA2 GLY 12 -8.749 5.404 6.068 84 2HA GLY 12 HA1 GLY 12 -10.361 4.729 6.256 85 H ARG 13 HN ARG 13 -8.512 3.658 3.567 86 HA ARG 13 HA ARG 13 -7.963 1.123 4.959 87 1HB ARG 13 HB2 ARG 13 -7.985 0.684 2.155 88 2HB ARG 13 HB1 ARG 13 -9.108 0.067 3.362 89 1HG ARG 13 HG2 ARG 13 -9.407 2.763 2.052 90 2HG ARG 13 HG1 ARG 13 -10.146 1.282 1.429 91 1HD ARG 13 HD2 ARG 13 -10.570 2.003 4.287 92 2HD ARG 13 HD1 ARG 13 -11.453 2.896 3.047 93 HE ARG 13 HE ARG 13 -11.912 0.334 2.362 94 1HH1 ARG 13 HH11 ARG 13 -12.208 2.042 5.392 95 2HH1 ARG 13 HH12 ARG 13 -13.498 1.043 5.973 96 1HH2 ARG 13 HH21 ARG 13 -13.609 -0.981 3.128 97 2HH2 ARG 13 HH22 ARG 13 -14.292 -0.673 4.689 98 H ALA 14 HN ALA 14 -5.874 1.782 5.577 99 HA ALA 14 HA ALA 14 -3.954 2.732 3.695 100 1HB ALA 14 HB1 ALA 14 -3.945 1.942 6.546 101 2HB ALA 14 HB2 ALA 14 -3.313 3.392 5.767 102 3HB ALA 14 HB3 ALA 14 -2.401 1.885 5.695 103 H PHE 15 HN PHE 15 -2.831 1.612 2.255 104 HA PHE 15 HA PHE 15 -2.323 -1.242 2.752 105 1HB PHE 15 HB2 PHE 15 -3.634 0.038 0.413 106 2HB PHE 15 HB1 PHE 15 -2.496 -1.262 0.072 107 HD1 PHE 15 HD1 PHE 15 -5.816 -0.628 0.419 108 HD2 PHE 15 HD2 PHE 15 -2.852 -3.295 1.905 109 HE1 PHE 15 HE1 PHE 15 -7.565 -2.283 0.925 110 HE2 PHE 15 HE2 PHE 15 -4.596 -4.957 2.412 111 HZ PHE 15 HZ PHE 15 -6.956 -4.451 1.922 112 H TYR 16 HN TYR 16 -0.459 0.549 3.445 113 HA TYR 16 HA TYR 16 1.397 0.935 1.238 114 1HB TYR 16 HB2 TYR 16 1.064 2.724 2.918 115 2HB TYR 16 HB1 TYR 16 1.686 1.649 4.165 116 HD1 TYR 16 HD1 TYR 16 2.533 3.854 1.404 117 HD2 TYR 16 HD2 TYR 16 4.074 1.012 4.170 118 HE1 TYR 16 HE1 TYR 16 4.815 4.632 0.923 119 HE2 TYR 16 HE2 TYR 16 6.361 1.784 3.697 120 HH TYR 16 HH TYR 16 7.199 3.556 1.083 121 H THR 17 HN THR 17 2.067 -1.136 0.707 122 HA THR 17 HA THR 17 3.637 -2.527 2.779 123 HB THR 17 HB THR 17 1.824 -3.956 2.285 124 HG1 THR 17 HG1 THR 17 2.962 -5.653 1.761 125 1HG2 THR 17 HG21 THR 17 1.348 -4.673 -0.090 126 2HG2 THR 17 HG22 THR 17 2.279 -3.263 -0.596 127 3HG2 THR 17 HG23 THR 17 0.817 -3.055 0.369 128 H THR 18 HN THR 18 5.600 -1.587 2.288 129 HA THR 18 HA THR 18 6.589 -1.688 -0.445 130 HB THR 18 HB THR 18 8.496 -0.435 0.394 131 HG1 THR 18 HG1 THR 18 7.335 -0.763 2.960 132 1HG2 THR 18 HG21 THR 18 5.851 0.560 1.394 133 2HG2 THR 18 HG22 THR 18 6.710 1.015 -0.078 134 3HG2 THR 18 HG23 THR 18 7.334 1.509 1.496 135 H LYS 19 HN LYS 19 9.211 -2.179 -0.250 136 HA LYS 19 HA LYS 19 9.381 -4.968 -0.154 137 1HB LYS 19 HB2 LYS 19 11.899 -4.525 -0.140 138 2HB LYS 19 HB1 LYS 19 10.977 -3.870 -1.486 139 1HG LYS 19 HG2 LYS 19 11.104 -1.680 -0.649 140 2HG LYS 19 HG1 LYS 19 11.634 -2.232 0.941 141 1HD LYS 19 HD2 LYS 19 13.751 -2.019 0.300 142 2HD LYS 19 HD1 LYS 19 13.485 -3.219 -0.966 143 1HE LYS 19 HE2 LYS 19 14.056 -1.521 -2.332 144 2HE LYS 19 HE1 LYS 19 12.371 -1.050 -2.117 145 1HZ LYS 19 HZ1 LYS 19 13.302 0.892 -1.521 146 2HZ LYS 19 HZ2 LYS 19 14.786 0.198 -1.103 147 3HZ LYS 19 HZ3 LYS 19 13.490 0.139 -0.018 Start of MODEL 9 1 1H ARG 4 HT1 ARG 4 8.244 -3.598 -6.068 2 2H ARG 4 HT2 ARG 4 7.328 -4.895 -6.719 3 3H ARG 4 HT3 ARG 4 9.011 -4.786 -7.037 4 HA ARG 4 HA ARG 4 8.269 -6.434 -5.335 5 1HB ARG 4 HB2 ARG 4 10.580 -5.382 -5.754 6 2HB ARG 4 HB1 ARG 4 10.237 -4.374 -4.355 7 1HG ARG 4 HG2 ARG 4 11.576 -6.276 -3.709 8 2HG ARG 4 HG1 ARG 4 9.972 -6.387 -2.980 9 1HD ARG 4 HD2 ARG 4 9.576 -8.334 -3.984 10 2HD ARG 4 HD1 ARG 4 10.022 -7.677 -5.559 11 HE ARG 4 HE ARG 4 11.659 -9.271 -3.814 12 1HH1 ARG 4 HH11 ARG 4 11.672 -6.931 -6.404 13 2HH1 ARG 4 HH12 ARG 4 13.240 -7.391 -6.979 14 1HH2 ARG 4 HH21 ARG 4 13.721 -9.878 -4.570 15 2HH2 ARG 4 HH22 ARG 4 14.402 -9.065 -5.939 16 H LYS 5 HN LYS 5 6.254 -4.300 -5.151 17 HA LYS 5 HA LYS 5 5.527 -4.631 -2.445 18 1HB LYS 5 HB2 LYS 5 5.828 -2.477 -1.534 19 2HB LYS 5 HB1 LYS 5 7.370 -2.913 -2.251 20 1HG LYS 5 HG2 LYS 5 5.968 -1.592 -4.270 21 2HG LYS 5 HG1 LYS 5 5.665 -0.667 -2.800 22 1HD LYS 5 HD2 LYS 5 8.446 -1.555 -3.327 23 2HD LYS 5 HD1 LYS 5 7.801 -0.244 -4.319 24 1HE LYS 5 HE2 LYS 5 7.025 0.466 -1.783 25 2HE LYS 5 HE1 LYS 5 8.609 -0.264 -1.519 26 1HZ LYS 5 HZ1 LYS 5 7.946 2.036 -3.265 27 2HZ LYS 5 HZ2 LYS 5 9.430 1.229 -3.340 28 3HZ LYS 5 HZ3 LYS 5 8.968 2.019 -1.916 29 H ARG 6 HN ARG 6 3.726 -2.831 -1.916 30 HA ARG 6 HA ARG 6 2.183 -2.209 -4.308 31 1HB ARG 6 HB2 ARG 6 0.129 -3.238 -3.313 32 2HB ARG 6 HB1 ARG 6 1.356 -4.407 -3.805 33 1HG ARG 6 HG2 ARG 6 2.089 -4.606 -1.476 34 2HG ARG 6 HG1 ARG 6 0.838 -3.453 -0.992 35 1HD ARG 6 HD2 ARG 6 -0.865 -5.003 -1.932 36 2HD ARG 6 HD1 ARG 6 0.422 -6.167 -2.241 37 HE ARG 6 HE ARG 6 0.631 -5.544 0.423 38 1HH1 ARG 6 HH11 ARG 6 -1.852 -6.851 -1.650 39 2HH1 ARG 6 HH12 ARG 6 -2.585 -7.787 -0.391 40 1HH2 ARG 6 HH21 ARG 6 -0.331 -6.774 2.080 41 2HH2 ARG 6 HH22 ARG 6 -1.722 -7.743 1.728 42 H ILE 7 HN ILE 7 1.537 -0.186 -4.126 43 HA ILE 7 HA ILE 7 0.973 0.872 -1.434 44 HB ILE 7 HB ILE 7 2.008 2.463 -3.778 45 1HG1 ILE 7 HG12 ILE 7 3.791 2.126 -1.480 46 2HG1 ILE 7 HG11 ILE 7 3.451 0.606 -2.314 47 1HG2 ILE 7 HG21 ILE 7 1.133 3.105 -1.038 48 2HG2 ILE 7 HG22 ILE 7 1.125 4.096 -2.498 49 3HG2 ILE 7 HG23 ILE 7 2.617 3.892 -1.579 50 1HD1 ILE 7 HD11 ILE 7 5.265 2.650 -3.031 51 2HD1 ILE 7 HD12 ILE 7 4.005 2.597 -4.264 52 3HD1 ILE 7 HD13 ILE 7 4.919 1.140 -3.874 53 H HIS 8 HN HIS 8 -1.136 1.124 -1.193 54 HA HIS 8 HA HIS 8 -2.636 2.644 -3.158 55 1HB HIS 8 HB2 HIS 8 -3.142 0.520 -4.042 56 2HB HIS 8 HB1 HIS 8 -3.229 -0.223 -2.444 57 HD1 HIS 8 HD1 HIS 8 -5.331 0.982 -5.088 58 HD2 HIS 8 HD2 HIS 8 -5.597 0.821 -0.946 59 HE1 HIS 8 HE1 HIS 8 -7.777 1.237 -4.564 60 HE2 HIS 8 HE2 HIS 8 -7.926 1.027 -2.057 61 H ILE 9 HN ILE 9 -3.830 4.099 -2.110 62 HA ILE 9 HA ILE 9 -4.638 3.503 0.663 63 HB ILE 9 HB ILE 9 -3.976 6.247 -0.399 64 1HG1 ILE 9 HG12 ILE 9 -2.015 5.742 1.389 65 2HG1 ILE 9 HG11 ILE 9 -2.260 4.117 0.746 66 1HG2 ILE 9 HG21 ILE 9 -5.372 6.563 1.415 67 2HG2 ILE 9 HG22 ILE 9 -3.775 6.602 2.165 68 3HG2 ILE 9 HG23 ILE 9 -4.760 5.143 2.264 69 1HD1 ILE 9 HD11 ILE 9 -2.152 5.567 -1.537 70 2HD1 ILE 9 HD12 ILE 9 -0.770 4.768 -0.788 71 3HD1 ILE 9 HD13 ILE 9 -1.062 6.482 -0.496 72 H GLY 10 HN GLY 10 -6.720 3.794 1.185 73 1HA GLY 10 HA2 GLY 10 -8.454 5.141 -0.796 74 2HA GLY 10 HA1 GLY 10 -8.930 3.657 0.024 75 HA PRO 11 HA PRO 11 -10.665 7.113 2.511 76 1HB PRO 11 HB2 PRO 11 -13.061 5.929 3.005 77 2HB PRO 11 HB1 PRO 11 -12.735 6.901 1.565 78 1HG PRO 11 HG2 PRO 11 -12.878 3.949 1.867 79 2HG PRO 11 HG1 PRO 11 -13.335 4.964 0.493 80 1HD PRO 11 HD2 PRO 11 -10.994 3.493 0.675 81 2HD PRO 11 HD1 PRO 11 -11.245 4.879 -0.402 82 H GLY 12 HN GLY 12 -8.882 6.197 3.901 83 1HA GLY 12 HA2 GLY 12 -8.364 5.683 6.101 84 2HA GLY 12 HA1 GLY 12 -10.046 5.245 6.361 85 H ARG 13 HN ARG 13 -8.377 3.840 3.685 86 HA ARG 13 HA ARG 13 -8.316 1.278 5.125 87 1HB ARG 13 HB2 ARG 13 -8.068 0.951 2.274 88 2HB ARG 13 HB1 ARG 13 -9.303 0.326 3.362 89 1HG ARG 13 HG2 ARG 13 -9.343 3.095 2.175 90 2HG ARG 13 HG1 ARG 13 -10.176 1.698 1.484 91 1HD ARG 13 HD2 ARG 13 -10.627 2.719 4.285 92 2HD ARG 13 HD1 ARG 13 -11.612 3.178 2.896 93 HE ARG 13 HE ARG 13 -11.726 0.722 4.364 94 1HH1 ARG 13 HH11 ARG 13 -12.278 2.163 1.233 95 2HH1 ARG 13 HH12 ARG 13 -13.438 0.972 0.751 96 1HH2 ARG 13 HH21 ARG 13 -13.250 -0.845 3.729 97 2HH2 ARG 13 HH22 ARG 13 -13.989 -0.736 2.167 98 H ALA 14 HN ALA 14 -6.229 1.856 6.002 99 HA ALA 14 HA ALA 14 -3.959 2.512 4.561 100 1HB ALA 14 HB1 ALA 14 -4.237 2.415 7.073 101 2HB ALA 14 HB2 ALA 14 -2.695 1.841 6.439 102 3HB ALA 14 HB3 ALA 14 -3.924 0.684 6.947 103 H PHE 15 HN PHE 15 -3.082 1.511 2.886 104 HA PHE 15 HA PHE 15 -2.590 -1.359 3.020 105 1HB PHE 15 HB2 PHE 15 -4.326 -0.013 0.990 106 2HB PHE 15 HB1 PHE 15 -3.327 -1.372 0.485 107 HD1 PHE 15 HD1 PHE 15 -6.437 -0.426 1.796 108 HD2 PHE 15 HD2 PHE 15 -3.502 -3.499 2.013 109 HE1 PHE 15 HE1 PHE 15 -8.139 -1.985 2.650 110 HE2 PHE 15 HE2 PHE 15 -5.198 -5.065 2.866 111 HZ PHE 15 HZ PHE 15 -7.519 -4.308 3.186 112 H TYR 16 HN TYR 16 -0.853 0.850 3.295 113 HA TYR 16 HA TYR 16 0.618 0.966 0.767 114 1HB TYR 16 HB2 TYR 16 0.374 3.122 1.658 115 2HB TYR 16 HB1 TYR 16 0.683 2.581 3.303 116 HD1 TYR 16 HD1 TYR 16 2.586 2.251 0.097 117 HD2 TYR 16 HD2 TYR 16 2.573 3.602 4.130 118 HE1 TYR 16 HE1 TYR 16 4.935 2.943 -0.132 119 HE2 TYR 16 HE2 TYR 16 4.922 4.295 3.912 120 HH TYR 16 HH TYR 16 6.893 3.698 2.487 121 H THR 17 HN THR 17 2.103 -0.542 0.438 122 HA THR 17 HA THR 17 3.796 -1.368 2.696 123 HB THR 17 HB THR 17 3.693 -3.650 2.094 124 HG1 THR 17 HG1 THR 17 2.546 -2.714 -0.303 125 1HG2 THR 17 HG21 THR 17 1.325 -2.332 2.729 126 2HG2 THR 17 HG22 THR 17 1.676 -4.053 2.897 127 3HG2 THR 17 HG23 THR 17 0.909 -3.448 1.429 128 H THR 18 HN THR 18 5.935 -1.515 2.282 129 HA THR 18 HA THR 18 6.831 -1.159 -0.498 130 HB THR 18 HB THR 18 8.529 0.372 0.209 131 HG1 THR 18 HG1 THR 18 9.086 -0.521 2.187 132 1HG2 THR 18 HG21 THR 18 6.706 1.715 1.926 133 2HG2 THR 18 HG22 THR 18 5.813 0.979 0.595 134 3HG2 THR 18 HG23 THR 18 7.145 2.084 0.258 135 H LYS 19 HN LYS 19 6.798 -3.626 -0.037 136 HA LYS 19 HA LYS 19 8.655 -4.856 1.628 137 1HB LYS 19 HB2 LYS 19 7.212 -5.636 -0.851 138 2HB LYS 19 HB1 LYS 19 8.581 -6.629 -0.370 139 1HG LYS 19 HG2 LYS 19 6.450 -5.950 1.611 140 2HG LYS 19 HG1 LYS 19 6.201 -7.245 0.438 141 1HD LYS 19 HD2 LYS 19 7.974 -8.513 1.290 142 2HD LYS 19 HD1 LYS 19 8.672 -7.131 2.138 143 1HE LYS 19 HE2 LYS 19 6.449 -7.144 3.468 144 2HE LYS 19 HE1 LYS 19 6.289 -8.791 2.863 145 1HZ LYS 19 HZ1 LYS 19 8.364 -7.683 4.649 146 2HZ LYS 19 HZ2 LYS 19 8.628 -9.112 3.785 147 3HZ LYS 19 HZ3 LYS 19 7.359 -9.021 4.899 Start of MODEL 10 1 1H ARG 4 HT1 ARG 4 8.628 -6.923 -4.776 2 2H ARG 4 HT2 ARG 4 9.301 -5.383 -5.128 3 3H ARG 4 HT3 ARG 4 9.293 -6.613 -6.326 4 HA ARG 4 HA ARG 4 7.616 -5.041 -6.800 5 1HB ARG 4 HB2 ARG 4 7.299 -7.519 -7.149 6 2HB ARG 4 HB1 ARG 4 6.389 -7.550 -5.645 7 1HG ARG 4 HG2 ARG 4 4.629 -6.329 -6.535 8 2HG ARG 4 HG1 ARG 4 5.610 -5.696 -7.858 9 1HD ARG 4 HD2 ARG 4 4.576 -7.282 -9.071 10 2HD ARG 4 HD1 ARG 4 5.767 -8.355 -8.338 11 HE ARG 4 HE ARG 4 3.740 -8.386 -6.553 12 1HH1 ARG 4 HH11 ARG 4 3.878 -8.906 -10.001 13 2HH1 ARG 4 HH12 ARG 4 2.541 -10.006 -10.014 14 1HH2 ARG 4 HH21 ARG 4 1.980 -9.832 -6.569 15 2HH2 ARG 4 HH22 ARG 4 1.463 -10.532 -8.066 16 H LYS 5 HN LYS 5 7.084 -3.243 -5.688 17 HA LYS 5 HA LYS 5 5.886 -3.489 -3.038 18 1HB LYS 5 HB2 LYS 5 7.450 -1.821 -2.873 19 2HB LYS 5 HB1 LYS 5 7.285 -1.354 -4.558 20 1HG LYS 5 HG2 LYS 5 5.140 -0.266 -4.003 21 2HG LYS 5 HG1 LYS 5 5.419 -0.654 -2.305 22 1HD LYS 5 HD2 LYS 5 7.129 1.096 -4.069 23 2HD LYS 5 HD1 LYS 5 6.094 1.621 -2.743 24 1HE LYS 5 HE2 LYS 5 7.467 0.365 -1.168 25 2HE LYS 5 HE1 LYS 5 8.499 -0.176 -2.490 26 1HZ LYS 5 HZ1 LYS 5 9.701 1.604 -1.854 27 2HZ LYS 5 HZ2 LYS 5 8.383 2.411 -1.167 28 3HZ LYS 5 HZ3 LYS 5 8.617 2.448 -2.842 29 H ARG 6 HN ARG 6 4.017 -2.029 -2.564 30 HA ARG 6 HA ARG 6 2.368 -1.208 -4.751 31 1HB ARG 6 HB2 ARG 6 1.977 -3.688 -4.641 32 2HB ARG 6 HB1 ARG 6 1.327 -3.456 -3.018 33 1HG ARG 6 HG2 ARG 6 -0.642 -3.299 -4.062 34 2HG ARG 6 HG1 ARG 6 -0.126 -1.652 -4.440 35 1HD ARG 6 HD2 ARG 6 -0.853 -2.593 -6.479 36 2HD ARG 6 HD1 ARG 6 0.907 -2.594 -6.544 37 HE ARG 6 HE ARG 6 -0.830 -4.930 -6.226 38 1HH1 ARG 6 HH11 ARG 6 2.392 -3.621 -6.595 39 2HH1 ARG 6 HH12 ARG 6 3.094 -5.150 -6.995 40 1HH2 ARG 6 HH21 ARG 6 0.101 -6.933 -6.749 41 2HH2 ARG 6 HH22 ARG 6 1.799 -7.028 -7.082 42 H ILE 7 HN ILE 7 1.524 0.634 -4.078 43 HA ILE 7 HA ILE 7 0.663 0.856 -1.267 44 HB ILE 7 HB ILE 7 1.804 3.121 -2.903 45 1HG1 ILE 7 HG12 ILE 7 3.211 1.754 -0.615 46 2HG1 ILE 7 HG11 ILE 7 3.407 1.192 -2.279 47 1HG2 ILE 7 HG21 ILE 7 1.062 2.853 0.004 48 2HG2 ILE 7 HG22 ILE 7 0.312 3.897 -1.202 49 3HG2 ILE 7 HG23 ILE 7 1.962 4.211 -0.668 50 1HD1 ILE 7 HD11 ILE 7 3.830 4.075 -1.752 51 2HD1 ILE 7 HD12 ILE 7 4.643 2.993 -2.881 52 3HD1 ILE 7 HD13 ILE 7 5.048 2.944 -1.165 53 H HIS 8 HN HIS 8 -1.407 1.377 -1.007 54 HA HIS 8 HA HIS 8 -2.766 3.064 -2.943 55 1HB HIS 8 HB2 HIS 8 -3.414 0.170 -2.500 56 2HB HIS 8 HB1 HIS 8 -4.714 1.307 -2.878 57 HD1 HIS 8 HD1 HIS 8 -4.116 2.809 -5.161 58 HD2 HIS 8 HD2 HIS 8 -2.309 -0.905 -4.711 59 HE1 HIS 8 HE1 HIS 8 -3.362 2.145 -7.465 60 HE2 HIS 8 HE2 HIS 8 -2.188 -0.062 -7.152 61 H ILE 9 HN ILE 9 -3.852 4.531 -1.822 62 HA ILE 9 HA ILE 9 -4.815 3.814 0.869 63 HB ILE 9 HB ILE 9 -4.282 6.601 -0.155 64 1HG1 ILE 9 HG12 ILE 9 -2.313 6.244 1.616 65 2HG1 ILE 9 HG11 ILE 9 -2.483 4.571 1.079 66 1HG2 ILE 9 HG21 ILE 9 -4.243 5.943 2.721 67 2HG2 ILE 9 HG22 ILE 9 -5.815 5.876 1.925 68 3HG2 ILE 9 HG23 ILE 9 -4.870 7.365 1.888 69 1HD1 ILE 9 HD11 ILE 9 -0.760 5.822 -0.153 70 2HD1 ILE 9 HD12 ILE 9 -2.008 6.920 -0.741 71 3HD1 ILE 9 HD13 ILE 9 -2.045 5.217 -1.197 72 H GLY 10 HN GLY 10 -6.930 3.937 1.315 73 1HA GLY 10 HA2 GLY 10 -8.676 5.281 -0.655 74 2HA GLY 10 HA1 GLY 10 -9.075 3.705 0.022 75 HA PRO 11 HA PRO 11 -11.200 6.703 2.744 76 1HB PRO 11 HB2 PRO 11 -13.458 5.279 3.086 77 2HB PRO 11 HB1 PRO 11 -13.170 6.252 1.638 78 1HG PRO 11 HG2 PRO 11 -12.930 3.304 2.013 79 2HG PRO 11 HG1 PRO 11 -13.547 4.213 0.624 80 1HD PRO 11 HD2 PRO 11 -11.013 3.127 0.790 81 2HD PRO 11 HD1 PRO 11 -11.467 4.471 -0.274 82 H GLY 12 HN GLY 12 -9.264 5.745 4.025 83 1HA GLY 12 HA2 GLY 12 -8.801 5.211 6.261 84 2HA GLY 12 HA1 GLY 12 -10.391 4.470 6.392 85 H ARG 13 HN ARG 13 -8.357 3.705 3.701 86 HA ARG 13 HA ARG 13 -7.715 1.105 4.916 87 1HB ARG 13 HB2 ARG 13 -7.834 0.699 2.144 88 2HB ARG 13 HB1 ARG 13 -8.965 0.110 3.358 89 1HG ARG 13 HG2 ARG 13 -9.258 2.848 2.169 90 2HG ARG 13 HG1 ARG 13 -9.888 1.413 1.351 91 1HD ARG 13 HD2 ARG 13 -10.538 1.895 4.227 92 2HD ARG 13 HD1 ARG 13 -11.408 2.775 2.969 93 HE ARG 13 HE ARG 13 -11.318 -0.071 2.556 94 1HH1 ARG 13 HH11 ARG 13 -13.039 2.551 4.087 95 2HH1 ARG 13 HH12 ARG 13 -14.535 1.685 4.172 96 1HH2 ARG 13 HH21 ARG 13 -13.285 -1.213 2.670 97 2HH2 ARG 13 HH22 ARG 13 -14.676 -0.452 3.369 98 H ALA 14 HN ALA 14 -5.665 2.082 5.471 99 HA ALA 14 HA ALA 14 -3.902 2.983 3.390 100 1HB ALA 14 HB1 ALA 14 -3.140 2.232 6.204 101 2HB ALA 14 HB2 ALA 14 -3.858 3.785 5.776 102 3HB ALA 14 HB3 ALA 14 -2.295 3.321 5.104 103 H PHE 15 HN PHE 15 -3.234 1.523 1.935 104 HA PHE 15 HA PHE 15 -2.291 -1.087 2.919 105 1HB PHE 15 HB2 PHE 15 -3.597 -0.235 0.368 106 2HB PHE 15 HB1 PHE 15 -2.500 -1.612 0.344 107 HD1 PHE 15 HD1 PHE 15 -5.821 -0.567 0.865 108 HD2 PHE 15 HD2 PHE 15 -2.959 -3.449 2.135 109 HE1 PHE 15 HE1 PHE 15 -7.642 -2.021 1.654 110 HE2 PHE 15 HE2 PHE 15 -4.774 -4.909 2.926 111 HZ PHE 15 HZ PHE 15 -7.120 -4.195 2.685 112 H TYR 16 HN TYR 16 -0.470 0.716 3.388 113 HA TYR 16 HA TYR 16 1.311 1.025 1.105 114 1HB TYR 16 HB2 TYR 16 1.118 2.954 2.512 115 2HB TYR 16 HB1 TYR 16 1.431 2.006 3.961 116 HD1 TYR 16 HD1 TYR 16 2.998 3.273 0.845 117 HD2 TYR 16 HD2 TYR 16 3.628 1.697 4.746 118 HE1 TYR 16 HE1 TYR 16 5.389 3.816 0.672 119 HE2 TYR 16 HE2 TYR 16 6.022 2.236 4.583 120 HH TYR 16 HH TYR 16 7.426 3.987 3.212 121 H THR 17 HN THR 17 2.021 -1.054 0.674 122 HA THR 17 HA THR 17 3.661 -2.301 2.783 123 HB THR 17 HB THR 17 3.118 -4.454 1.941 124 HG1 THR 17 HG1 THR 17 1.887 -4.701 0.032 125 1HG2 THR 17 HG21 THR 17 1.292 -3.383 3.245 126 2HG2 THR 17 HG22 THR 17 0.755 -4.634 2.124 127 3HG2 THR 17 HG23 THR 17 0.537 -2.932 1.716 128 H THR 18 HN THR 18 5.691 -1.671 2.336 129 HA THR 18 HA THR 18 6.634 -1.666 -0.426 130 HB THR 18 HB THR 18 8.512 -0.421 0.346 131 HG1 THR 18 HG1 THR 18 7.687 -0.887 3.014 132 1HG2 THR 18 HG21 THR 18 6.345 0.607 2.138 133 2HG2 THR 18 HG22 THR 18 6.261 0.766 0.384 134 3HG2 THR 18 HG23 THR 18 7.591 1.507 1.273 135 H LYS 19 HN LYS 19 7.848 -2.844 2.717 136 HA LYS 19 HA LYS 19 9.308 -4.524 3.230 137 1HB LYS 19 HB2 LYS 19 8.570 -6.718 2.546 138 2HB LYS 19 HB1 LYS 19 7.165 -5.716 2.879 139 1HG LYS 19 HG2 LYS 19 6.734 -5.423 0.549 140 2HG LYS 19 HG1 LYS 19 8.257 -6.204 0.119 141 1HD LYS 19 HD2 LYS 19 7.482 -8.317 0.921 142 2HD LYS 19 HD1 LYS 19 6.044 -7.581 1.630 143 1HE LYS 19 HE2 LYS 19 5.827 -6.799 -0.966 144 2HE LYS 19 HE1 LYS 19 6.590 -8.378 -1.141 145 1HZ LYS 19 HZ1 LYS 19 4.788 -9.241 0.351 146 2HZ LYS 19 HZ2 LYS 19 4.275 -8.732 -1.177 147 3HZ LYS 19 HZ3 LYS 19 4.011 -7.749 0.172 Start of MODEL 11 1 1H ARG 4 HT1 ARG 4 9.479 -4.712 -6.015 2 2H ARG 4 HT2 ARG 4 9.723 -6.403 -6.179 3 3H ARG 4 HT3 ARG 4 9.543 -5.707 -4.621 4 HA ARG 4 HA ARG 4 7.459 -5.543 -6.676 5 1HB ARG 4 HB2 ARG 4 6.435 -7.486 -5.447 6 2HB ARG 4 HB1 ARG 4 7.870 -7.881 -6.383 7 1HG ARG 4 HG2 ARG 4 9.139 -8.293 -4.532 8 2HG ARG 4 HG1 ARG 4 8.210 -7.190 -3.514 9 1HD ARG 4 HD2 ARG 4 6.326 -8.794 -3.569 10 2HD ARG 4 HD1 ARG 4 7.336 -9.907 -4.492 11 HE ARG 4 HE ARG 4 8.776 -9.329 -2.228 12 1HH1 ARG 4 HH11 ARG 4 5.629 -10.675 -2.910 13 2HH1 ARG 4 HH12 ARG 4 5.605 -11.662 -1.487 14 1HH2 ARG 4 HH21 ARG 4 8.746 -10.626 -0.356 15 2HH2 ARG 4 HH22 ARG 4 7.374 -11.634 -0.037 16 H LYS 5 HN LYS 5 7.330 -3.364 -5.693 17 HA LYS 5 HA LYS 5 6.257 -3.328 -2.975 18 1HB LYS 5 HB2 LYS 5 7.904 -1.687 -3.169 19 2HB LYS 5 HB1 LYS 5 7.433 -1.271 -4.809 20 1HG LYS 5 HG2 LYS 5 5.653 0.020 -4.109 21 2HG LYS 5 HG1 LYS 5 5.602 -0.732 -2.515 22 1HD LYS 5 HD2 LYS 5 8.050 0.289 -2.378 23 2HD LYS 5 HD1 LYS 5 7.372 1.418 -3.553 24 1HE LYS 5 HE2 LYS 5 5.568 1.960 -2.020 25 2HE LYS 5 HE1 LYS 5 6.178 0.785 -0.857 26 1HZ LYS 5 HZ1 LYS 5 8.144 2.083 -0.553 27 2HZ LYS 5 HZ2 LYS 5 6.811 3.106 -0.360 28 3HZ LYS 5 HZ3 LYS 5 7.709 3.151 -1.792 29 H ARG 6 HN ARG 6 4.284 -2.219 -2.521 30 HA ARG 6 HA ARG 6 2.572 -1.457 -4.714 31 1HB ARG 6 HB2 ARG 6 2.476 -4.082 -4.113 32 2HB ARG 6 HB1 ARG 6 1.305 -3.472 -2.942 33 1HG ARG 6 HG2 ARG 6 -0.239 -3.099 -4.511 34 2HG ARG 6 HG1 ARG 6 0.933 -2.399 -5.632 35 1HD ARG 6 HD2 ARG 6 1.157 -5.304 -5.204 36 2HD ARG 6 HD1 ARG 6 -0.313 -4.769 -6.015 37 HE ARG 6 HE ARG 6 2.358 -4.751 -7.073 38 1HH1 ARG 6 HH11 ARG 6 -0.815 -3.316 -7.295 39 2HH1 ARG 6 HH12 ARG 6 -0.607 -2.808 -8.937 40 1HH2 ARG 6 HH21 ARG 6 2.634 -4.084 -9.233 41 2HH2 ARG 6 HH22 ARG 6 1.351 -3.244 -10.039 42 H ILE 7 HN ILE 7 1.317 0.188 -4.105 43 HA ILE 7 HA ILE 7 0.559 0.444 -1.285 44 HB ILE 7 HB ILE 7 1.334 2.960 -2.653 45 1HG1 ILE 7 HG12 ILE 7 3.701 2.578 -1.658 46 2HG1 ILE 7 HG11 ILE 7 3.284 0.861 -1.728 47 1HG2 ILE 7 HG21 ILE 7 1.950 3.612 -0.405 48 2HG2 ILE 7 HG22 ILE 7 1.682 1.963 0.160 49 3HG2 ILE 7 HG23 ILE 7 0.324 2.924 -0.422 50 1HD1 ILE 7 HD11 ILE 7 4.525 2.155 -3.703 51 2HD1 ILE 7 HD12 ILE 7 2.853 2.427 -4.193 52 3HD1 ILE 7 HD13 ILE 7 3.452 0.783 -3.976 53 H HIS 8 HN HIS 8 -1.516 0.939 -1.043 54 HA HIS 8 HA HIS 8 -2.903 2.552 -3.021 55 1HB HIS 8 HB2 HIS 8 -4.804 0.720 -2.907 56 2HB HIS 8 HB1 HIS 8 -3.491 0.594 -4.083 57 HD1 HIS 8 HD1 HIS 8 -4.762 -0.939 -0.900 58 HD2 HIS 8 HD2 HIS 8 -1.767 -1.559 -3.714 59 HE1 HIS 8 HE1 HIS 8 -3.816 -3.213 -0.387 60 HE2 HIS 8 HE2 HIS 8 -1.940 -3.523 -2.040 61 H ILE 9 HN ILE 9 -3.849 4.063 -1.833 62 HA ILE 9 HA ILE 9 -4.977 3.302 0.780 63 HB ILE 9 HB ILE 9 -4.220 6.088 -0.091 64 1HG1 ILE 9 HG12 ILE 9 -2.375 5.460 1.786 65 2HG1 ILE 9 HG11 ILE 9 -2.590 3.881 1.027 66 1HG2 ILE 9 HG21 ILE 9 -4.120 6.087 2.599 67 2HG2 ILE 9 HG22 ILE 9 -5.379 4.880 2.334 68 3HG2 ILE 9 HG23 ILE 9 -5.562 6.504 1.673 69 1HD1 ILE 9 HD11 ILE 9 -2.309 5.363 -1.169 70 2HD1 ILE 9 HD12 ILE 9 -0.943 4.668 -0.297 71 3HD1 ILE 9 HD13 ILE 9 -1.386 6.356 -0.039 72 H GLY 10 HN GLY 10 -7.060 3.862 1.299 73 1HA GLY 10 HA2 GLY 10 -8.643 5.125 -0.855 74 2HA GLY 10 HA1 GLY 10 -9.227 3.732 0.049 75 HA PRO 11 HA PRO 11 -10.963 7.391 2.208 76 1HB PRO 11 HB2 PRO 11 -13.359 6.290 2.775 77 2HB PRO 11 HB1 PRO 11 -12.995 6.997 1.196 78 1HG PRO 11 HG2 PRO 11 -13.008 4.124 2.023 79 2HG PRO 11 HG1 PRO 11 -13.626 4.864 0.536 80 1HD PRO 11 HD2 PRO 11 -11.213 3.594 0.698 81 2HD PRO 11 HD1 PRO 11 -11.556 4.900 -0.452 82 H GLY 12 HN GLY 12 -9.095 6.305 3.589 83 1HA GLY 12 HA2 GLY 12 -8.632 6.091 5.880 84 2HA GLY 12 HA1 GLY 12 -10.320 5.684 6.160 85 H ARG 13 HN ARG 13 -8.548 4.110 3.633 86 HA ARG 13 HA ARG 13 -8.506 1.647 5.244 87 1HB ARG 13 HB2 ARG 13 -8.309 1.050 2.453 88 2HB ARG 13 HB1 ARG 13 -9.575 0.599 3.589 89 1HG ARG 13 HG2 ARG 13 -9.527 3.273 2.215 90 2HG ARG 13 HG1 ARG 13 -10.287 1.846 1.504 91 1HD ARG 13 HD2 ARG 13 -11.048 2.372 4.287 92 2HD ARG 13 HD1 ARG 13 -11.523 3.631 3.148 93 HE ARG 13 HE ARG 13 -12.928 2.113 2.068 94 1HH1 ARG 13 HH11 ARG 13 -11.210 0.580 4.700 95 2HH1 ARG 13 HH12 ARG 13 -12.253 -0.799 4.736 96 1HH2 ARG 13 HH21 ARG 13 -14.292 0.297 2.120 97 2HH2 ARG 13 HH22 ARG 13 -14.000 -0.962 3.273 98 H ALA 14 HN ALA 14 -6.406 2.192 6.041 99 HA ALA 14 HA ALA 14 -4.179 2.757 4.443 100 1HB ALA 14 HB1 ALA 14 -2.930 2.575 6.351 101 2HB ALA 14 HB2 ALA 14 -3.821 1.170 6.935 102 3HB ALA 14 HB3 ALA 14 -4.534 2.779 7.053 103 H PHE 15 HN PHE 15 -2.785 1.541 3.298 104 HA PHE 15 HA PHE 15 -2.537 -1.291 3.643 105 1HB PHE 15 HB2 PHE 15 -4.130 -0.182 1.357 106 2HB PHE 15 HB1 PHE 15 -3.186 -1.651 1.134 107 HD1 PHE 15 HD1 PHE 15 -3.518 -3.346 3.245 108 HD2 PHE 15 HD2 PHE 15 -6.343 -0.505 1.811 109 HE1 PHE 15 HE1 PHE 15 -5.344 -4.668 4.232 110 HE2 PHE 15 HE2 PHE 15 -8.174 -1.822 2.796 111 HZ PHE 15 HZ PHE 15 -7.675 -3.906 4.008 112 H TYR 16 HN TYR 16 -0.614 0.543 3.890 113 HA TYR 16 HA TYR 16 0.826 0.803 1.377 114 1HB TYR 16 HB2 TYR 16 0.646 2.579 3.267 115 2HB TYR 16 HB1 TYR 16 1.902 1.631 4.056 116 HD1 TYR 16 HD1 TYR 16 1.571 4.529 2.489 117 HD2 TYR 16 HD2 TYR 16 3.700 0.891 1.917 118 HE1 TYR 16 HE1 TYR 16 3.266 5.734 1.177 119 HE2 TYR 16 HE2 TYR 16 5.399 2.084 0.603 120 HH TYR 16 HH TYR 16 5.335 4.375 -0.842 121 H THR 17 HN THR 17 2.038 -0.816 0.684 122 HA THR 17 HA THR 17 3.575 -2.371 2.656 123 HB THR 17 HB THR 17 3.241 -4.380 1.333 124 HG1 THR 17 HG1 THR 17 3.042 -3.413 -0.713 125 1HG2 THR 17 HG21 THR 17 0.473 -3.941 1.255 126 2HG2 THR 17 HG22 THR 17 1.091 -3.026 2.629 127 3HG2 THR 17 HG23 THR 17 1.411 -4.756 2.506 128 H THR 18 HN THR 18 5.686 -2.752 2.179 129 HA THR 18 HA THR 18 6.666 -1.949 -0.472 130 HB THR 18 HB THR 18 8.403 -0.629 0.410 131 HG1 THR 18 HG1 THR 18 9.310 -1.267 2.171 132 1HG2 THR 18 HG21 THR 18 5.823 0.088 1.002 133 2HG2 THR 18 HG22 THR 18 7.244 1.128 1.114 134 3HG2 THR 18 HG23 THR 18 6.659 0.278 2.544 135 H LYS 19 HN LYS 19 9.322 -2.401 -0.168 136 HA LYS 19 HA LYS 19 9.432 -5.269 0.499 137 1HB LYS 19 HB2 LYS 19 9.675 -4.841 -1.899 138 2HB LYS 19 HB1 LYS 19 11.001 -3.733 -1.579 139 1HG LYS 19 HG2 LYS 19 11.762 -5.933 -2.361 140 2HG LYS 19 HG1 LYS 19 12.371 -5.534 -0.753 141 1HD LYS 19 HD2 LYS 19 11.040 -7.101 0.285 142 2HD LYS 19 HD1 LYS 19 9.835 -7.085 -1.004 143 1HE LYS 19 HE2 LYS 19 11.173 -9.177 -0.908 144 2HE LYS 19 HE1 LYS 19 11.279 -8.334 -2.453 145 1HZ LYS 19 HZ1 LYS 19 13.306 -8.336 -0.284 146 2HZ LYS 19 HZ2 LYS 19 13.396 -7.363 -1.664 147 3HZ LYS 19 HZ3 LYS 19 13.451 -9.046 -1.812 Start of MODEL 12 1 1H ARG 4 HT1 ARG 4 9.662 -6.377 -4.614 2 2H ARG 4 HT2 ARG 4 9.718 -4.692 -4.932 3 3H ARG 4 HT3 ARG 4 9.982 -5.816 -6.202 4 HA ARG 4 HA ARG 4 7.854 -5.102 -6.531 5 1HB ARG 4 HB2 ARG 4 8.303 -7.622 -6.347 6 2HB ARG 4 HB1 ARG 4 7.478 -7.537 -4.797 7 1HG ARG 4 HG2 ARG 4 6.020 -8.271 -6.647 8 2HG ARG 4 HG1 ARG 4 5.450 -6.805 -5.848 9 1HD ARG 4 HD2 ARG 4 5.309 -6.759 -8.346 10 2HD ARG 4 HD1 ARG 4 6.228 -5.434 -7.634 11 HE ARG 4 HE ARG 4 7.981 -7.533 -8.288 12 1HH1 ARG 4 HH11 ARG 4 5.999 -5.108 -9.830 13 2HH1 ARG 4 HH12 ARG 4 7.004 -5.003 -11.237 14 1HH2 ARG 4 HH21 ARG 4 9.303 -7.395 -10.137 15 2HH2 ARG 4 HH22 ARG 4 8.879 -6.300 -11.412 16 H LYS 5 HN LYS 5 7.273 -3.216 -5.474 17 HA LYS 5 HA LYS 5 6.169 -3.487 -2.770 18 1HB LYS 5 HB2 LYS 5 7.657 -1.744 -2.611 19 2HB LYS 5 HB1 LYS 5 7.455 -1.278 -4.292 20 1HG LYS 5 HG2 LYS 5 5.264 -0.311 -3.730 21 2HG LYS 5 HG1 LYS 5 5.551 -0.705 -2.034 22 1HD LYS 5 HD2 LYS 5 7.359 1.042 -3.698 23 2HD LYS 5 HD1 LYS 5 6.078 1.657 -2.653 24 1HE LYS 5 HE2 LYS 5 7.252 1.278 -0.773 25 2HE LYS 5 HE1 LYS 5 7.922 -0.237 -1.377 26 1HZ LYS 5 HZ1 LYS 5 9.406 1.892 -1.022 27 2HZ LYS 5 HZ2 LYS 5 8.875 2.247 -2.588 28 3HZ LYS 5 HZ3 LYS 5 9.706 0.806 -2.285 29 H ARG 6 HN ARG 6 4.206 -2.185 -2.318 30 HA ARG 6 HA ARG 6 2.546 -1.495 -4.562 31 1HB ARG 6 HB2 ARG 6 0.717 -3.014 -4.032 32 2HB ARG 6 HB1 ARG 6 2.181 -3.925 -4.406 33 1HG ARG 6 HG2 ARG 6 2.576 -4.246 -2.003 34 2HG ARG 6 HG1 ARG 6 1.080 -3.370 -1.655 35 1HD ARG 6 HD2 ARG 6 -0.007 -5.119 -3.234 36 2HD ARG 6 HD1 ARG 6 1.452 -6.057 -2.919 37 HE ARG 6 HE ARG 6 -0.708 -5.517 -1.080 38 1HH1 ARG 6 HH11 ARG 6 2.621 -6.512 -1.422 39 2HH1 ARG 6 HH12 ARG 6 2.659 -7.339 0.099 40 1HH2 ARG 6 HH21 ARG 6 -0.658 -6.604 0.919 41 2HH2 ARG 6 HH22 ARG 6 0.798 -7.393 1.427 42 H ILE 7 HN ILE 7 1.565 0.319 -4.023 43 HA ILE 7 HA ILE 7 0.895 0.773 -1.187 44 HB ILE 7 HB ILE 7 1.334 3.026 -3.116 45 1HG1 ILE 7 HG12 ILE 7 3.702 2.949 -1.792 46 2HG1 ILE 7 HG11 ILE 7 3.378 1.219 -1.961 47 1HG2 ILE 7 HG21 ILE 7 0.604 4.043 -1.252 48 2HG2 ILE 7 HG22 ILE 7 2.259 3.808 -0.688 49 3HG2 ILE 7 HG23 ILE 7 0.998 2.666 -0.223 50 1HD1 ILE 7 HD11 ILE 7 2.862 2.063 -4.468 51 2HD1 ILE 7 HD12 ILE 7 4.436 1.490 -3.917 52 3HD1 ILE 7 HD13 ILE 7 4.101 3.220 -3.984 53 H HIS 8 HN HIS 8 -1.206 0.891 -0.776 54 HA HIS 8 HA HIS 8 -2.999 2.001 -2.822 55 1HB HIS 8 HB2 HIS 8 -3.700 -0.423 -1.157 56 2HB HIS 8 HB1 HIS 8 -4.625 0.270 -2.494 57 HD1 HIS 8 HD1 HIS 8 -2.832 -2.601 -1.920 58 HD2 HIS 8 HD2 HIS 8 -2.546 0.293 -4.887 59 HE1 HIS 8 HE1 HIS 8 -1.668 -3.725 -3.844 60 HE2 HIS 8 HE2 HIS 8 -1.427 -1.929 -5.595 61 H ILE 9 HN ILE 9 -4.313 3.526 -2.055 62 HA ILE 9 HA ILE 9 -4.892 3.570 0.831 63 HB ILE 9 HB ILE 9 -4.346 6.049 -0.796 64 1HG1 ILE 9 HG12 ILE 9 -2.295 5.925 0.981 65 2HG1 ILE 9 HG11 ILE 9 -2.516 4.211 0.621 66 1HG2 ILE 9 HG21 ILE 9 -4.129 7.047 1.503 67 2HG2 ILE 9 HG22 ILE 9 -4.779 5.534 2.136 68 3HG2 ILE 9 HG23 ILE 9 -5.753 6.528 1.052 69 1HD1 ILE 9 HD11 ILE 9 -2.131 6.339 -1.468 70 2HD1 ILE 9 HD12 ILE 9 -2.143 4.592 -1.707 71 3HD1 ILE 9 HD13 ILE 9 -0.834 5.349 -0.800 72 H GLY 10 HN GLY 10 -7.008 3.122 0.926 73 1HA GLY 10 HA2 GLY 10 -8.807 4.284 -1.083 74 2HA GLY 10 HA1 GLY 10 -9.200 2.965 0.017 75 HA PRO 11 HA PRO 11 -11.193 6.662 1.832 76 1HB PRO 11 HB2 PRO 11 -13.388 5.386 2.761 77 2HB PRO 11 HB1 PRO 11 -13.239 5.941 1.089 78 1HG PRO 11 HG2 PRO 11 -12.896 3.201 2.212 79 2HG PRO 11 HG1 PRO 11 -13.647 3.704 0.690 80 1HD PRO 11 HD2 PRO 11 -11.103 2.691 0.887 81 2HD PRO 11 HD1 PRO 11 -11.647 3.766 -0.415 82 H GLY 12 HN GLY 12 -9.135 6.079 3.184 83 1HA GLY 12 HA2 GLY 12 -8.482 6.266 5.425 84 2HA GLY 12 HA1 GLY 12 -10.073 5.694 5.914 85 H ARG 13 HN ARG 13 -8.304 3.982 3.482 86 HA ARG 13 HA ARG 13 -7.898 1.780 5.385 87 1HB ARG 13 HB2 ARG 13 -7.611 1.051 2.583 88 2HB ARG 13 HB1 ARG 13 -8.644 0.352 3.823 89 1HG ARG 13 HG2 ARG 13 -9.272 2.797 2.172 90 2HG ARG 13 HG1 ARG 13 -9.940 1.179 1.932 91 1HD ARG 13 HD2 ARG 13 -10.484 3.165 4.094 92 2HD ARG 13 HD1 ARG 13 -11.615 2.227 3.122 93 HE ARG 13 HE ARG 13 -10.425 0.304 4.538 94 1HH1 ARG 13 HH11 ARG 13 -11.762 3.374 5.532 95 2HH1 ARG 13 HH12 ARG 13 -12.174 2.818 7.118 96 1HH2 ARG 13 HH21 ARG 13 -10.967 -0.424 6.622 97 2HH2 ARG 13 HH22 ARG 13 -11.724 0.663 7.738 98 H ALA 14 HN ALA 14 -5.900 2.728 6.114 99 HA ALA 14 HA ALA 14 -3.724 3.347 4.472 100 1HB ALA 14 HB1 ALA 14 -3.630 2.255 7.282 101 2HB ALA 14 HB2 ALA 14 -3.885 3.948 6.857 102 3HB ALA 14 HB3 ALA 14 -2.358 3.161 6.461 103 H PHE 15 HN PHE 15 -3.593 1.748 2.848 104 HA PHE 15 HA PHE 15 -2.581 -0.863 3.762 105 1HB PHE 15 HB2 PHE 15 -4.174 -0.074 1.336 106 2HB PHE 15 HB1 PHE 15 -3.232 -1.561 1.357 107 HD1 PHE 15 HD1 PHE 15 -6.392 -0.705 1.410 108 HD2 PHE 15 HD2 PHE 15 -3.619 -2.537 4.069 109 HE1 PHE 15 HE1 PHE 15 -8.247 -1.858 2.545 110 HE2 PHE 15 HE2 PHE 15 -5.469 -3.693 5.208 111 HZ PHE 15 HZ PHE 15 -7.786 -3.355 4.446 112 H TYR 16 HN TYR 16 -0.600 0.693 3.929 113 HA TYR 16 HA TYR 16 0.789 0.862 1.349 114 1HB TYR 16 HB2 TYR 16 0.716 2.938 2.624 115 2HB TYR 16 HB1 TYR 16 1.421 2.133 4.021 116 HD1 TYR 16 HD1 TYR 16 3.351 3.496 4.260 117 HD2 TYR 16 HD2 TYR 16 2.523 1.630 0.527 118 HE1 TYR 16 HE1 TYR 16 5.602 4.090 3.470 119 HE2 TYR 16 HE2 TYR 16 4.773 2.218 -0.272 120 HH TYR 16 HH TYR 16 6.901 2.848 0.502 121 H THR 17 HN THR 17 1.949 -0.888 0.873 122 HA THR 17 HA THR 17 3.626 -2.053 2.989 123 HB THR 17 HB THR 17 3.179 -4.222 1.440 124 HG1 THR 17 HG1 THR 17 1.059 -4.272 0.812 125 1HG2 THR 17 HG21 THR 17 0.981 -3.970 3.297 126 2HG2 THR 17 HG22 THR 17 2.517 -3.483 4.014 127 3HG2 THR 17 HG23 THR 17 2.346 -5.086 3.300 128 H THR 18 HN THR 18 5.661 -1.668 2.460 129 HA THR 18 HA THR 18 6.448 -1.414 -0.328 130 HB THR 18 HB THR 18 8.496 -0.495 0.486 131 HG1 THR 18 HG1 THR 18 9.248 -0.823 2.467 132 1HG2 THR 18 HG21 THR 18 7.799 1.402 1.535 133 2HG2 THR 18 HG22 THR 18 6.699 0.540 2.610 134 3HG2 THR 18 HG23 THR 18 6.260 0.799 0.922 135 H LYS 19 HN LYS 19 9.033 -2.260 -0.332 136 HA LYS 19 HA LYS 19 10.337 -4.094 -0.660 137 1HB LYS 19 HB2 LYS 19 10.214 -4.275 1.785 138 2HB LYS 19 HB1 LYS 19 8.734 -5.213 1.645 139 1HG LYS 19 HG2 LYS 19 10.191 -6.922 1.883 140 2HG LYS 19 HG1 LYS 19 10.307 -6.732 0.133 141 1HD LYS 19 HD2 LYS 19 12.179 -4.972 0.881 142 2HD LYS 19 HD1 LYS 19 12.267 -6.078 2.253 143 1HE LYS 19 HE2 LYS 19 12.493 -6.870 -0.648 144 2HE LYS 19 HE1 LYS 19 13.848 -6.674 0.463 145 1HZ LYS 19 HZ1 LYS 19 11.732 -8.461 1.340 146 2HZ LYS 19 HZ2 LYS 19 13.410 -8.619 1.479 147 3HZ LYS 19 HZ3 LYS 19 12.644 -8.998 0.018 Start of MODEL 13 1 1H ARG 4 HT1 ARG 4 7.425 -5.750 -7.702 2 2H ARG 4 HT2 ARG 4 7.977 -4.628 -6.526 3 3H ARG 4 HT3 ARG 4 6.329 -4.630 -7.008 4 HA ARG 4 HA ARG 4 6.303 -7.003 -6.199 5 1HB ARG 4 HB2 ARG 4 8.643 -5.948 -4.609 6 2HB ARG 4 HB1 ARG 4 7.963 -7.569 -4.566 7 1HG ARG 4 HG2 ARG 4 8.847 -8.116 -6.669 8 2HG ARG 4 HG1 ARG 4 9.187 -6.427 -7.054 9 1HD ARG 4 HD2 ARG 4 10.497 -7.777 -4.721 10 2HD ARG 4 HD1 ARG 4 11.141 -7.958 -6.353 11 HE ARG 4 HE ARG 4 11.282 -5.625 -4.680 12 1HH1 ARG 4 HH11 ARG 4 11.351 -6.798 -7.967 13 2HH1 ARG 4 HH12 ARG 4 12.240 -5.438 -8.565 14 1HH2 ARG 4 HH21 ARG 4 12.450 -3.834 -5.468 15 2HH2 ARG 4 HH22 ARG 4 12.864 -3.755 -7.148 16 H LYS 5 HN LYS 5 7.092 -3.849 -4.823 17 HA LYS 5 HA LYS 5 5.411 -4.261 -2.517 18 1HB LYS 5 HB2 LYS 5 6.412 -2.437 -1.660 19 2HB LYS 5 HB1 LYS 5 7.562 -2.680 -2.962 20 1HG LYS 5 HG2 LYS 5 6.158 -1.096 -4.338 21 2HG LYS 5 HG1 LYS 5 5.269 -0.737 -2.859 22 1HD LYS 5 HD2 LYS 5 7.165 0.845 -3.494 23 2HD LYS 5 HD1 LYS 5 7.140 0.245 -1.839 24 1HE LYS 5 HE2 LYS 5 9.003 -1.038 -2.130 25 2HE LYS 5 HE1 LYS 5 8.683 -1.305 -3.843 26 1HZ LYS 5 HZ1 LYS 5 9.547 1.313 -2.756 27 2HZ LYS 5 HZ2 LYS 5 9.503 0.828 -4.376 28 3HZ LYS 5 HZ3 LYS 5 10.636 0.147 -3.320 29 H ARG 6 HN ARG 6 3.869 -2.291 -2.029 30 HA ARG 6 HA ARG 6 2.468 -1.239 -4.284 31 1HB ARG 6 HB2 ARG 6 0.269 -2.407 -3.279 32 2HB ARG 6 HB1 ARG 6 1.212 -3.108 -4.595 33 1HG ARG 6 HG2 ARG 6 1.926 -4.831 -3.339 34 2HG ARG 6 HG1 ARG 6 2.092 -3.842 -1.883 35 1HD ARG 6 HD2 ARG 6 -0.023 -4.262 -1.196 36 2HD ARG 6 HD1 ARG 6 -0.663 -4.308 -2.838 37 HE ARG 6 HE ARG 6 -0.472 -6.570 -2.759 38 1HH1 ARG 6 HH11 ARG 6 1.810 -5.228 -0.486 39 2HH1 ARG 6 HH12 ARG 6 2.332 -6.773 0.093 40 1HH2 ARG 6 HH21 ARG 6 0.211 -8.603 -1.995 41 2HH2 ARG 6 HH22 ARG 6 1.426 -8.690 -0.763 42 H ILE 7 HN ILE 7 1.768 0.697 -3.706 43 HA ILE 7 HA ILE 7 0.938 1.131 -0.913 44 HB ILE 7 HB ILE 7 2.373 3.221 -2.534 45 1HG1 ILE 7 HG12 ILE 7 4.045 2.248 -0.447 46 2HG1 ILE 7 HG11 ILE 7 3.498 0.851 -1.382 47 1HG2 ILE 7 HG21 ILE 7 1.491 4.433 -0.860 48 2HG2 ILE 7 HG22 ILE 7 2.838 3.776 0.068 49 3HG2 ILE 7 HG23 ILE 7 1.247 3.023 0.172 50 1HD1 ILE 7 HD11 ILE 7 5.615 2.497 -1.985 51 2HD1 ILE 7 HD12 ILE 7 4.341 3.054 -3.070 52 3HD1 ILE 7 HD13 ILE 7 4.830 1.359 -3.081 53 H HIS 8 HN HIS 8 -1.172 1.553 -0.938 54 HA HIS 8 HA HIS 8 -2.176 3.658 -2.668 55 1HB HIS 8 HB2 HIS 8 -4.175 2.169 -3.279 56 2HB HIS 8 HB1 HIS 8 -2.656 1.882 -4.135 57 HD1 HIS 8 HD1 HIS 8 -5.267 0.114 -2.480 58 HD2 HIS 8 HD2 HIS 8 -1.147 -0.347 -2.758 59 HE1 HIS 8 HE1 HIS 8 -4.816 -2.277 -1.851 60 HE2 HIS 8 HE2 HIS 8 -2.328 -2.562 -2.133 61 H ILE 9 HN ILE 9 -3.535 4.925 -1.586 62 HA ILE 9 HA ILE 9 -4.623 3.934 0.958 63 HB ILE 9 HB ILE 9 -4.393 6.810 0.073 64 1HG1 ILE 9 HG12 ILE 9 -2.478 6.770 1.820 65 2HG1 ILE 9 HG11 ILE 9 -2.471 5.026 1.547 66 1HG2 ILE 9 HG21 ILE 9 -4.721 5.674 2.843 67 2HG2 ILE 9 HG22 ILE 9 -6.065 6.222 1.840 68 3HG2 ILE 9 HG23 ILE 9 -4.822 7.364 2.351 69 1HD1 ILE 9 HD11 ILE 9 -1.669 5.229 -0.586 70 2HD1 ILE 9 HD12 ILE 9 -0.885 6.599 0.201 71 3HD1 ILE 9 HD13 ILE 9 -2.318 6.856 -0.794 72 H GLY 10 HN GLY 10 -6.759 3.717 1.239 73 1HA GLY 10 HA2 GLY 10 -8.537 4.908 -0.802 74 2HA GLY 10 HA1 GLY 10 -8.782 3.288 -0.159 75 HA PRO 11 HA PRO 11 -11.576 6.030 2.273 76 1HB PRO 11 HB2 PRO 11 -13.138 3.541 2.469 77 2HB PRO 11 HB1 PRO 11 -13.633 5.133 1.888 78 1HG PRO 11 HG2 PRO 11 -13.306 3.059 0.215 79 2HG PRO 11 HG1 PRO 11 -12.914 4.721 -0.264 80 1HD PRO 11 HD2 PRO 11 -11.080 2.517 0.610 81 2HD PRO 11 HD1 PRO 11 -10.877 3.695 -0.705 82 H GLY 12 HN GLY 12 -9.426 5.458 3.593 83 1HA GLY 12 HA2 GLY 12 -8.810 5.140 5.815 84 2HA GLY 12 HA1 GLY 12 -10.368 4.378 6.108 85 H ARG 13 HN ARG 13 -8.476 3.312 3.428 86 HA ARG 13 HA ARG 13 -7.749 0.880 4.918 87 1HB ARG 13 HB2 ARG 13 -7.796 0.202 2.201 88 2HB ARG 13 HB1 ARG 13 -8.960 -0.270 3.433 89 1HG ARG 13 HG2 ARG 13 -9.231 2.326 1.954 90 2HG ARG 13 HG1 ARG 13 -9.832 0.807 1.280 91 1HD ARG 13 HD2 ARG 13 -10.594 1.941 3.968 92 2HD ARG 13 HD1 ARG 13 -11.565 2.073 2.499 93 HE ARG 13 HE ARG 13 -11.388 -0.174 4.237 94 1HH1 ARG 13 HH11 ARG 13 -11.801 0.720 0.889 95 2HH1 ARG 13 HH12 ARG 13 -12.669 -0.721 0.483 96 1HH2 ARG 13 HH21 ARG 13 -12.531 -2.069 3.704 97 2HH2 ARG 13 HH22 ARG 13 -13.085 -2.304 2.081 98 H ALA 14 HN ALA 14 -5.789 2.202 5.380 99 HA ALA 14 HA ALA 14 -3.979 2.969 3.370 100 1HB ALA 14 HB1 ALA 14 -3.729 3.890 5.547 101 2HB ALA 14 HB2 ALA 14 -2.288 2.925 5.223 102 3HB ALA 14 HB3 ALA 14 -3.556 2.291 6.272 103 H PHE 15 HN PHE 15 -2.741 1.806 2.066 104 HA PHE 15 HA PHE 15 -1.962 -0.907 2.901 105 1HB PHE 15 HB2 PHE 15 -3.230 0.005 0.356 106 2HB PHE 15 HB1 PHE 15 -2.043 -1.294 0.277 107 HD1 PHE 15 HD1 PHE 15 -5.433 -0.441 0.932 108 HD2 PHE 15 HD2 PHE 15 -2.421 -3.324 1.782 109 HE1 PHE 15 HE1 PHE 15 -7.170 -2.057 1.587 110 HE2 PHE 15 HE2 PHE 15 -4.151 -4.946 2.437 111 HZ PHE 15 HZ PHE 15 -6.530 -4.313 2.340 112 H TYR 16 HN TYR 16 -0.257 1.006 3.495 113 HA TYR 16 HA TYR 16 1.614 1.430 1.309 114 1HB TYR 16 HB2 TYR 16 0.945 3.105 3.221 115 2HB TYR 16 HB1 TYR 16 2.166 2.233 4.141 116 HD1 TYR 16 HD1 TYR 16 1.894 5.199 2.863 117 HD2 TYR 16 HD2 TYR 16 4.194 1.717 2.033 118 HE1 TYR 16 HE1 TYR 16 3.642 6.601 1.852 119 HE2 TYR 16 HE2 TYR 16 5.948 3.109 1.019 120 HH TYR 16 HH TYR 16 6.240 5.278 0.037 121 H THR 17 HN THR 17 2.709 -0.393 0.829 122 HA THR 17 HA THR 17 4.388 -1.524 2.945 123 HB THR 17 HB THR 17 2.670 -3.129 2.919 124 HG1 THR 17 HG1 THR 17 4.600 -4.195 2.718 125 1HG2 THR 17 HG21 THR 17 1.549 -4.006 1.069 126 2HG2 THR 17 HG22 THR 17 2.735 -3.359 -0.065 127 3HG2 THR 17 HG23 THR 17 1.628 -2.270 0.771 128 H THR 18 HN THR 18 6.352 -0.978 2.232 129 HA THR 18 HA THR 18 6.974 -1.116 -0.607 130 HB THR 18 HB THR 18 9.158 -0.084 0.137 131 HG1 THR 18 HG1 THR 18 8.949 -0.815 2.342 132 1HG2 THR 18 HG21 THR 18 6.591 1.136 -0.011 133 2HG2 THR 18 HG22 THR 18 8.171 1.811 -0.407 134 3HG2 THR 18 HG23 THR 18 7.546 1.937 1.237 135 H LYS 19 HN LYS 19 6.648 -3.510 1.236 136 HA LYS 19 HA LYS 19 8.579 -5.163 0.091 137 1HB LYS 19 HB2 LYS 19 9.896 -5.686 2.201 138 2HB LYS 19 HB1 LYS 19 10.276 -4.168 1.400 139 1HG LYS 19 HG2 LYS 19 8.382 -3.344 3.140 140 2HG LYS 19 HG1 LYS 19 9.110 -4.672 4.048 141 1HD LYS 19 HD2 LYS 19 11.185 -3.653 4.132 142 2HD LYS 19 HD1 LYS 19 10.861 -2.647 2.718 143 1HE LYS 19 HE2 LYS 19 10.607 -1.052 4.307 144 2HE LYS 19 HE1 LYS 19 8.968 -1.701 4.345 145 1HZ LYS 19 HZ1 LYS 19 9.281 -2.609 6.366 146 2HZ LYS 19 HZ2 LYS 19 10.482 -1.428 6.507 147 3HZ LYS 19 HZ3 LYS 19 10.900 -3.010 6.078 Start of MODEL 14 1 1H ARG 4 HT1 ARG 4 7.259 -6.901 -6.653 2 2H ARG 4 HT2 ARG 4 6.465 -5.379 -6.657 3 3H ARG 4 HT3 ARG 4 6.008 -6.586 -5.524 4 HA ARG 4 HA ARG 4 8.275 -6.487 -4.623 5 1HB ARG 4 HB2 ARG 4 8.336 -4.156 -6.540 6 2HB ARG 4 HB1 ARG 4 9.447 -4.295 -5.185 7 1HG ARG 4 HG2 ARG 4 10.754 -5.284 -6.721 8 2HG ARG 4 HG1 ARG 4 9.797 -6.708 -6.310 9 1HD ARG 4 HD2 ARG 4 9.762 -6.644 -8.646 10 2HD ARG 4 HD1 ARG 4 8.213 -5.951 -8.169 11 HE ARG 4 HE ARG 4 8.861 -3.961 -9.093 12 1HH1 ARG 4 HH11 ARG 4 11.679 -5.977 -8.682 13 2HH1 ARG 4 HH12 ARG 4 12.726 -4.904 -9.548 14 1HH2 ARG 4 HH21 ARG 4 10.236 -2.549 -10.233 15 2HH2 ARG 4 HH22 ARG 4 11.908 -2.958 -10.428 16 H LYS 5 HN LYS 5 6.998 -3.253 -5.346 17 HA LYS 5 HA LYS 5 6.118 -3.062 -2.546 18 1HB LYS 5 HB2 LYS 5 7.807 -1.487 -2.704 19 2HB LYS 5 HB1 LYS 5 7.464 -1.138 -4.390 20 1HG LYS 5 HG2 LYS 5 5.617 0.210 -3.837 21 2HG LYS 5 HG1 LYS 5 5.627 -0.338 -2.160 22 1HD LYS 5 HD2 LYS 5 8.115 0.644 -2.312 23 2HD LYS 5 HD1 LYS 5 7.333 1.666 -3.519 24 1HE LYS 5 HE2 LYS 5 5.628 1.514 -1.251 25 2HE LYS 5 HE1 LYS 5 7.257 1.882 -0.686 26 1HZ LYS 5 HZ1 LYS 5 6.313 3.380 -2.998 27 2HZ LYS 5 HZ2 LYS 5 7.249 3.891 -1.683 28 3HZ LYS 5 HZ3 LYS 5 5.572 3.737 -1.519 29 H ARG 6 HN ARG 6 4.203 -1.826 -2.129 30 HA ARG 6 HA ARG 6 2.553 -1.000 -4.337 31 1HB ARG 6 HB2 ARG 6 2.111 -3.572 -2.935 32 2HB ARG 6 HB1 ARG 6 0.678 -2.571 -3.182 33 1HG ARG 6 HG2 ARG 6 1.101 -2.526 -5.575 34 2HG ARG 6 HG1 ARG 6 2.567 -3.487 -5.345 35 1HD ARG 6 HD2 ARG 6 1.401 -5.407 -4.894 36 2HD ARG 6 HD1 ARG 6 -0.004 -4.538 -4.279 37 HE ARG 6 HE ARG 6 0.505 -5.311 -7.002 38 1HH1 ARG 6 HH11 ARG 6 -1.215 -3.090 -4.931 39 2HH1 ARG 6 HH12 ARG 6 -2.452 -2.765 -6.097 40 1HH2 ARG 6 HH21 ARG 6 -1.121 -4.884 -8.538 41 2HH2 ARG 6 HH22 ARG 6 -2.399 -3.784 -8.145 42 H ILE 7 HN ILE 7 1.554 0.793 -3.707 43 HA ILE 7 HA ILE 7 0.697 1.029 -0.902 44 HB ILE 7 HB ILE 7 1.651 3.491 -2.280 45 1HG1 ILE 7 HG12 ILE 7 3.903 2.812 -0.944 46 2HG1 ILE 7 HG11 ILE 7 3.377 1.215 -1.485 47 1HG2 ILE 7 HG21 ILE 7 2.392 3.943 0.114 48 2HG2 ILE 7 HG22 ILE 7 1.491 2.489 0.544 49 3HG2 ILE 7 HG23 ILE 7 0.657 3.859 -0.191 50 1HD1 ILE 7 HD11 ILE 7 4.740 1.884 -3.205 51 2HD1 ILE 7 HD12 ILE 7 4.243 3.572 -3.089 52 3HD1 ILE 7 HD13 ILE 7 3.156 2.378 -3.799 53 H HIS 8 HN HIS 8 -1.448 1.155 -0.946 54 HA HIS 8 HA HIS 8 -2.704 3.072 -2.766 55 1HB HIS 8 HB2 HIS 8 -3.078 1.063 -3.959 56 2HB HIS 8 HB1 HIS 8 -3.407 0.152 -2.482 57 HD1 HIS 8 HD1 HIS 8 -5.096 1.649 -5.252 58 HD2 HIS 8 HD2 HIS 8 -5.931 1.176 -1.210 59 HE1 HIS 8 HE1 HIS 8 -7.585 1.956 -5.040 60 HE2 HIS 8 HE2 HIS 8 -8.078 1.581 -2.598 61 H ILE 9 HN ILE 9 -4.034 4.385 -1.694 62 HA ILE 9 HA ILE 9 -4.992 3.525 0.955 63 HB ILE 9 HB ILE 9 -4.679 6.370 0.005 64 1HG1 ILE 9 HG12 ILE 9 -2.730 6.173 1.801 65 2HG1 ILE 9 HG11 ILE 9 -2.750 4.485 1.288 66 1HG2 ILE 9 HG21 ILE 9 -6.053 6.636 1.773 67 2HG2 ILE 9 HG22 ILE 9 -4.562 6.450 2.696 68 3HG2 ILE 9 HG23 ILE 9 -5.637 5.070 2.469 69 1HD1 ILE 9 HD11 ILE 9 -1.343 5.140 -0.304 70 2HD1 ILE 9 HD12 ILE 9 -1.734 6.845 -0.072 71 3HD1 ILE 9 HD13 ILE 9 -2.758 5.835 -1.093 72 H GLY 10 HN GLY 10 -7.105 3.278 1.231 73 1HA GLY 10 HA2 GLY 10 -8.911 4.283 -0.862 74 2HA GLY 10 HA1 GLY 10 -9.260 2.958 0.242 75 HA PRO 11 HA PRO 11 -11.488 6.540 2.008 76 1HB PRO 11 HB2 PRO 11 -13.592 5.123 2.951 77 2HB PRO 11 HB1 PRO 11 -13.477 5.656 1.269 78 1HG PRO 11 HG2 PRO 11 -12.957 2.965 2.440 79 2HG PRO 11 HG1 PRO 11 -13.723 3.393 0.903 80 1HD PRO 11 HD2 PRO 11 -11.113 2.562 1.154 81 2HD PRO 11 HD1 PRO 11 -11.723 3.552 -0.186 82 H GLY 12 HN GLY 12 -9.352 5.986 3.329 83 1HA GLY 12 HA2 GLY 12 -8.741 6.270 5.595 84 2HA GLY 12 HA1 GLY 12 -10.256 5.515 6.073 85 H ARG 13 HN ARG 13 -8.621 3.915 3.558 86 HA ARG 13 HA ARG 13 -7.500 1.962 5.452 87 1HB ARG 13 HB2 ARG 13 -8.016 0.529 3.138 88 2HB ARG 13 HB1 ARG 13 -8.975 0.496 4.615 89 1HG ARG 13 HG2 ARG 13 -9.492 2.508 2.445 90 2HG ARG 13 HG1 ARG 13 -10.196 0.887 2.409 91 1HD ARG 13 HD2 ARG 13 -10.459 2.515 4.889 92 2HD ARG 13 HD1 ARG 13 -11.466 2.914 3.499 93 HE ARG 13 HE ARG 13 -12.571 0.871 3.727 94 1HH1 ARG 13 HH11 ARG 13 -10.033 1.202 6.110 95 2HH1 ARG 13 HH12 ARG 13 -10.625 -0.090 7.097 96 1HH2 ARG 13 HH21 ARG 13 -13.343 -0.826 5.029 97 2HH2 ARG 13 HH22 ARG 13 -12.500 -1.240 6.485 98 H ALA 14 HN ALA 14 -5.404 2.737 5.334 99 HA ALA 14 HA ALA 14 -4.128 3.123 2.766 100 1HB ALA 14 HB1 ALA 14 -3.344 4.657 4.304 101 2HB ALA 14 HB2 ALA 14 -2.076 3.432 4.333 102 3HB ALA 14 HB3 ALA 14 -3.289 3.475 5.612 103 H PHE 15 HN PHE 15 -3.432 1.449 1.621 104 HA PHE 15 HA PHE 15 -2.618 -1.003 3.000 105 1HB PHE 15 HB2 PHE 15 -3.368 -0.414 0.138 106 2HB PHE 15 HB1 PHE 15 -2.637 -1.940 0.621 107 HD1 PHE 15 HD1 PHE 15 -5.632 -0.490 -0.147 108 HD2 PHE 15 HD2 PHE 15 -3.862 -2.908 2.874 109 HE1 PHE 15 HE1 PHE 15 -7.854 -1.357 0.454 110 HE2 PHE 15 HE2 PHE 15 -6.081 -3.780 3.481 111 HZ PHE 15 HZ PHE 15 -8.080 -3.005 2.271 112 H TYR 16 HN TYR 16 -0.654 0.268 3.675 113 HA TYR 16 HA TYR 16 1.340 0.639 1.588 114 1HB TYR 16 HB2 TYR 16 1.139 2.335 3.352 115 2HB TYR 16 HB1 TYR 16 1.497 1.118 4.573 116 HD1 TYR 16 HD1 TYR 16 2.885 3.235 1.935 117 HD2 TYR 16 HD2 TYR 16 3.762 0.263 4.849 118 HE1 TYR 16 HE1 TYR 16 5.283 3.717 1.694 119 HE2 TYR 16 HE2 TYR 16 6.164 0.739 4.619 120 HH TYR 16 HH TYR 16 7.550 2.880 3.837 121 H THR 17 HN THR 17 2.356 -1.133 0.909 122 HA THR 17 HA THR 17 3.595 -2.876 2.903 123 HB THR 17 HB THR 17 1.643 -4.131 2.429 124 HG1 THR 17 HG1 THR 17 3.702 -5.254 2.167 125 1HG2 THR 17 HG21 THR 17 2.032 -3.230 -0.375 126 2HG2 THR 17 HG22 THR 17 0.564 -3.303 0.599 127 3HG2 THR 17 HG23 THR 17 1.252 -4.782 -0.071 128 H THR 18 HN THR 18 5.622 -2.136 2.383 129 HA THR 18 HA THR 18 6.493 -2.354 -0.407 130 HB THR 18 HB THR 18 8.268 -0.899 0.114 131 HG1 THR 18 HG1 THR 18 9.251 -1.062 1.940 132 1HG2 THR 18 HG21 THR 18 6.110 0.072 1.963 133 2HG2 THR 18 HG22 THR 18 6.045 0.223 0.208 134 3HG2 THR 18 HG23 THR 18 7.322 1.033 1.116 135 H LYS 19 HN LYS 19 9.142 -2.787 -0.201 136 HA LYS 19 HA LYS 19 9.989 -4.781 1.571 137 1HB LYS 19 HB2 LYS 19 8.170 -5.788 -0.284 138 2HB LYS 19 HB1 LYS 19 9.740 -6.251 -0.925 139 1HG LYS 19 HG2 LYS 19 10.293 -7.437 1.058 140 2HG LYS 19 HG1 LYS 19 8.891 -6.787 1.909 141 1HD LYS 19 HD2 LYS 19 8.513 -8.378 -0.595 142 2HD LYS 19 HD1 LYS 19 8.813 -9.202 0.936 143 1HE LYS 19 HE2 LYS 19 6.910 -7.704 1.841 144 2HE LYS 19 HE1 LYS 19 6.503 -7.469 0.142 145 1HZ LYS 19 HZ1 LYS 19 5.274 -9.302 0.498 146 2HZ LYS 19 HZ2 LYS 19 6.202 -9.825 1.812 147 3HZ LYS 19 HZ3 LYS 19 6.734 -10.116 0.233 Start of MODEL 15 1 1H ARG 4 HT1 ARG 4 8.949 -3.288 -6.009 2 2H ARG 4 HT2 ARG 4 9.891 -4.696 -6.286 3 3H ARG 4 HT3 ARG 4 9.260 -4.376 -4.722 4 HA ARG 4 HA ARG 4 7.491 -4.670 -7.030 5 1HB ARG 4 HB2 ARG 4 7.331 -7.074 -6.462 6 2HB ARG 4 HB1 ARG 4 8.926 -6.630 -7.052 7 1HG ARG 4 HG2 ARG 4 9.640 -7.804 -5.286 8 2HG ARG 4 HG1 ARG 4 9.280 -6.326 -4.390 9 1HD ARG 4 HD2 ARG 4 7.340 -7.177 -3.497 10 2HD ARG 4 HD1 ARG 4 7.109 -8.322 -4.818 11 HE ARG 4 HE ARG 4 8.613 -8.736 -2.403 12 1HH1 ARG 4 HH11 ARG 4 8.180 -9.744 -5.716 13 2HH1 ARG 4 HH12 ARG 4 8.865 -11.313 -5.460 14 1HH2 ARG 4 HH21 ARG 4 9.514 -10.799 -2.063 15 2HH2 ARG 4 HH22 ARG 4 9.622 -11.913 -3.386 16 H LYS 5 HN LYS 5 7.324 -2.947 -4.765 17 HA LYS 5 HA LYS 5 5.613 -4.237 -2.825 18 1HB LYS 5 HB2 LYS 5 5.876 -2.386 -1.535 19 2HB LYS 5 HB1 LYS 5 7.308 -2.221 -2.536 20 1HG LYS 5 HG2 LYS 5 5.806 -0.764 -4.050 21 2HG LYS 5 HG1 LYS 5 4.739 -0.688 -2.648 22 1HD LYS 5 HD2 LYS 5 6.343 1.219 -2.845 23 2HD LYS 5 HD1 LYS 5 6.433 0.341 -1.321 24 1HE LYS 5 HE2 LYS 5 8.473 -0.591 -1.824 25 2HE LYS 5 HE1 LYS 5 8.219 -0.465 -3.565 26 1HZ LYS 5 HZ1 LYS 5 8.475 1.985 -1.959 27 2HZ LYS 5 HZ2 LYS 5 8.848 1.730 -3.588 28 3HZ LYS 5 HZ3 LYS 5 9.868 1.125 -2.383 29 H ARG 6 HN ARG 6 3.703 -2.450 -2.243 30 HA ARG 6 HA ARG 6 2.231 -1.763 -4.635 31 1HB ARG 6 HB2 ARG 6 1.417 -3.981 -2.783 32 2HB ARG 6 HB1 ARG 6 0.182 -3.017 -3.597 33 1HG ARG 6 HG2 ARG 6 1.418 -3.583 -5.760 34 2HG ARG 6 HG1 ARG 6 2.259 -4.813 -4.807 35 1HD ARG 6 HD2 ARG 6 -0.160 -5.491 -4.090 36 2HD ARG 6 HD1 ARG 6 -0.627 -4.633 -5.557 37 HE ARG 6 HE ARG 6 0.579 -7.202 -5.397 38 1HH1 ARG 6 HH11 ARG 6 0.452 -4.314 -7.353 39 2HH1 ARG 6 HH12 ARG 6 0.867 -5.138 -8.818 40 1HH2 ARG 6 HH21 ARG 6 1.128 -8.287 -7.323 41 2HH2 ARG 6 HH22 ARG 6 1.252 -7.393 -8.802 42 H ILE 7 HN ILE 7 1.974 0.316 -4.119 43 HA ILE 7 HA ILE 7 1.048 1.014 -1.424 44 HB ILE 7 HB ILE 7 1.884 2.999 -3.520 45 1HG1 ILE 7 HG12 ILE 7 4.021 2.535 -1.686 46 2HG1 ILE 7 HG11 ILE 7 3.559 0.975 -2.379 47 1HG2 ILE 7 HG21 ILE 7 2.653 4.121 -1.291 48 2HG2 ILE 7 HG22 ILE 7 1.513 2.991 -0.561 49 3HG2 ILE 7 HG23 ILE 7 0.954 4.152 -1.764 50 1HD1 ILE 7 HD11 ILE 7 3.631 2.724 -4.538 51 2HD1 ILE 7 HD12 ILE 7 4.826 1.498 -4.116 52 3HD1 ILE 7 HD13 ILE 7 5.027 3.157 -3.553 53 H HIS 8 HN HIS 8 -1.092 1.120 -1.220 54 HA HIS 8 HA HIS 8 -2.622 2.715 -3.104 55 1HB HIS 8 HB2 HIS 8 -2.977 0.652 -4.171 56 2HB HIS 8 HB1 HIS 8 -3.060 -0.228 -2.642 57 HD1 HIS 8 HD1 HIS 8 -5.160 1.118 -5.236 58 HD2 HIS 8 HD2 HIS 8 -5.527 0.494 -1.146 59 HE1 HIS 8 HE1 HIS 8 -7.631 1.176 -4.770 60 HE2 HIS 8 HE2 HIS 8 -7.822 0.906 -2.271 61 H ILE 9 HN ILE 9 -4.022 3.965 -2.042 62 HA ILE 9 HA ILE 9 -4.924 3.112 0.630 63 HB ILE 9 HB ILE 9 -4.250 5.960 -0.105 64 1HG1 ILE 9 HG12 ILE 9 -2.371 5.454 1.662 65 2HG1 ILE 9 HG11 ILE 9 -2.612 3.784 1.147 66 1HG2 ILE 9 HG21 ILE 9 -5.104 4.597 2.431 67 2HG2 ILE 9 HG22 ILE 9 -5.850 5.970 1.613 68 3HG2 ILE 9 HG23 ILE 9 -4.302 6.168 2.434 69 1HD1 ILE 9 HD11 ILE 9 -0.789 5.170 0.004 70 2HD1 ILE 9 HD12 ILE 9 -2.118 5.956 -0.848 71 3HD1 ILE 9 HD13 ILE 9 -1.872 4.217 -1.009 72 H GLY 10 HN GLY 10 -7.026 3.570 1.172 73 1HA GLY 10 HA2 GLY 10 -8.642 5.007 -0.833 74 2HA GLY 10 HA1 GLY 10 -9.144 3.424 -0.251 75 HA PRO 11 HA PRO 11 -11.483 6.267 2.439 76 1HB PRO 11 HB2 PRO 11 -12.939 3.778 3.070 77 2HB PRO 11 HB1 PRO 11 -13.553 5.318 2.461 78 1HG PRO 11 HG2 PRO 11 -13.438 3.141 0.902 79 2HG PRO 11 HG1 PRO 11 -13.136 4.766 0.257 80 1HD PRO 11 HD2 PRO 11 -11.173 2.629 1.008 81 2HD PRO 11 HD1 PRO 11 -11.173 3.716 -0.398 82 H GLY 12 HN GLY 12 -9.248 6.006 3.581 83 1HA GLY 12 HA2 GLY 12 -8.303 5.864 5.686 84 2HA GLY 12 HA1 GLY 12 -9.799 5.144 6.265 85 H ARG 13 HN ARG 13 -8.201 3.790 3.510 86 HA ARG 13 HA ARG 13 -7.489 1.444 5.129 87 1HB ARG 13 HB2 ARG 13 -7.334 0.930 2.299 88 2HB ARG 13 HB1 ARG 13 -8.357 0.169 3.510 89 1HG ARG 13 HG2 ARG 13 -9.031 2.766 2.141 90 2HG ARG 13 HG1 ARG 13 -9.576 1.181 1.586 91 1HD ARG 13 HD2 ARG 13 -10.086 2.188 4.373 92 2HD ARG 13 HD1 ARG 13 -11.186 2.512 3.030 93 HE ARG 13 HE ARG 13 -10.903 -0.168 2.937 94 1HH1 ARG 13 HH11 ARG 13 -11.696 2.034 5.526 95 2HH1 ARG 13 HH12 ARG 13 -12.672 0.882 6.375 96 1HH2 ARG 13 HH21 ARG 13 -12.185 -1.685 4.054 97 2HH2 ARG 13 HH22 ARG 13 -12.949 -1.228 5.541 98 H ALA 14 HN ALA 14 -5.538 2.602 5.792 99 HA ALA 14 HA ALA 14 -3.539 3.345 3.923 100 1HB ALA 14 HB1 ALA 14 -2.729 2.572 6.664 101 2HB ALA 14 HB2 ALA 14 -3.892 3.888 6.509 102 3HB ALA 14 HB3 ALA 14 -2.320 4.003 5.719 103 H PHE 15 HN PHE 15 -3.848 1.244 2.674 104 HA PHE 15 HA PHE 15 -2.342 -0.993 3.791 105 1HB PHE 15 HB2 PHE 15 -3.981 -0.704 1.268 106 2HB PHE 15 HB1 PHE 15 -3.064 -2.152 1.668 107 HD1 PHE 15 HD1 PHE 15 -3.525 -2.762 4.350 108 HD2 PHE 15 HD2 PHE 15 -6.227 -0.976 1.590 109 HE1 PHE 15 HE1 PHE 15 -5.424 -3.602 5.672 110 HE2 PHE 15 HE2 PHE 15 -8.130 -1.810 2.906 111 HZ PHE 15 HZ PHE 15 -7.730 -3.125 4.950 112 H TYR 16 HN TYR 16 -0.651 1.015 3.519 113 HA TYR 16 HA TYR 16 0.639 0.905 0.914 114 1HB TYR 16 HB2 TYR 16 0.612 3.090 1.779 115 2HB TYR 16 HB1 TYR 16 1.039 2.554 3.399 116 HD1 TYR 16 HD1 TYR 16 2.888 4.000 3.757 117 HD2 TYR 16 HD2 TYR 16 2.787 1.511 0.308 118 HE1 TYR 16 HE1 TYR 16 5.248 4.528 3.315 119 HE2 TYR 16 HE2 TYR 16 5.148 2.032 -0.143 120 HH TYR 16 HH TYR 16 7.166 3.530 2.121 121 H THR 17 HN THR 17 1.901 -0.792 0.519 122 HA THR 17 HA THR 17 3.648 -1.762 2.686 123 HB THR 17 HB THR 17 2.184 -3.542 2.225 124 HG1 THR 17 HG1 THR 17 3.565 -5.053 1.553 125 1HG2 THR 17 HG21 THR 17 1.150 -2.685 0.188 126 2HG2 THR 17 HG22 THR 17 1.633 -4.374 0.020 127 3HG2 THR 17 HG23 THR 17 2.603 -3.101 -0.720 128 H THR 18 HN THR 18 5.791 -1.998 2.288 129 HA THR 18 HA THR 18 6.750 -1.191 -0.373 130 HB THR 18 HB THR 18 8.619 -0.115 0.642 131 HG1 THR 18 HG1 THR 18 9.154 -0.351 2.736 132 1HG2 THR 18 HG21 THR 18 6.929 1.447 0.759 133 2HG2 THR 18 HG22 THR 18 7.496 1.372 2.427 134 3HG2 THR 18 HG23 THR 18 6.020 0.528 1.959 135 H LYS 19 HN LYS 19 7.337 -3.255 2.430 136 HA LYS 19 HA LYS 19 9.585 -4.604 1.354 137 1HB LYS 19 HB2 LYS 19 7.689 -5.102 3.611 138 2HB LYS 19 HB1 LYS 19 8.751 -6.405 3.094 139 1HG LYS 19 HG2 LYS 19 10.470 -4.278 3.291 140 2HG LYS 19 HG1 LYS 19 9.345 -3.998 4.622 141 1HD LYS 19 HD2 LYS 19 10.346 -6.763 4.283 142 2HD LYS 19 HD1 LYS 19 11.511 -5.559 4.839 143 1HE LYS 19 HE2 LYS 19 10.426 -5.220 6.820 144 2HE LYS 19 HE1 LYS 19 8.846 -5.618 6.147 145 1HZ LYS 19 HZ1 LYS 19 9.389 -7.376 7.572 146 2HZ LYS 19 HZ2 LYS 19 10.981 -7.477 7.009 147 3HZ LYS 19 HZ3 LYS 19 9.703 -7.977 6.021 Start of MODEL 16 1 1H ARG 4 HT1 ARG 4 9.678 -5.805 -6.546 2 2H ARG 4 HT2 ARG 4 9.719 -6.202 -4.876 3 3H ARG 4 HT3 ARG 4 9.400 -4.589 -5.370 4 HA ARG 4 HA ARG 4 7.419 -5.488 -6.550 5 1HB ARG 4 HB2 ARG 4 8.523 -7.871 -5.201 6 2HB ARG 4 HB1 ARG 4 6.786 -7.661 -5.037 7 1HG ARG 4 HG2 ARG 4 6.885 -8.922 -6.937 8 2HG ARG 4 HG1 ARG 4 6.896 -7.298 -7.629 9 1HD ARG 4 HD2 ARG 4 8.582 -8.792 -8.644 10 2HD ARG 4 HD1 ARG 4 9.291 -7.370 -7.879 11 HE ARG 4 HE ARG 4 10.402 -8.758 -6.452 12 1HH1 ARG 4 HH11 ARG 4 7.726 -10.520 -7.836 13 2HH1 ARG 4 HH12 ARG 4 8.186 -12.027 -7.118 14 1HH2 ARG 4 HH21 ARG 4 11.008 -10.741 -5.508 15 2HH2 ARG 4 HH22 ARG 4 10.047 -12.153 -5.797 16 H LYS 5 HN LYS 5 6.024 -4.123 -5.662 17 HA LYS 5 HA LYS 5 5.178 -4.432 -2.933 18 1HB LYS 5 HB2 LYS 5 6.147 -2.661 -1.944 19 2HB LYS 5 HB1 LYS 5 7.325 -2.787 -3.236 20 1HG LYS 5 HG2 LYS 5 6.093 -1.099 -4.518 21 2HG LYS 5 HG1 LYS 5 4.915 -0.978 -3.212 22 1HD LYS 5 HD2 LYS 5 6.707 0.808 -3.278 23 2HD LYS 5 HD1 LYS 5 6.485 -0.027 -1.743 24 1HE LYS 5 HE2 LYS 5 8.534 -0.924 -1.791 25 2HE LYS 5 HE1 LYS 5 8.444 -1.277 -3.516 26 1HZ LYS 5 HZ1 LYS 5 8.880 1.103 -3.932 27 2HZ LYS 5 HZ2 LYS 5 10.156 0.329 -3.136 28 3HZ LYS 5 HZ3 LYS 5 9.108 1.334 -2.271 29 H ARG 6 HN ARG 6 3.541 -2.632 -2.384 30 HA ARG 6 HA ARG 6 2.257 -1.350 -4.585 31 1HB ARG 6 HB2 ARG 6 1.176 -3.927 -3.524 32 2HB ARG 6 HB1 ARG 6 0.039 -2.668 -4.008 33 1HG ARG 6 HG2 ARG 6 1.828 -2.795 -6.116 34 2HG ARG 6 HG1 ARG 6 1.611 -4.481 -5.632 35 1HD ARG 6 HD2 ARG 6 -0.562 -4.523 -6.269 36 2HD ARG 6 HD1 ARG 6 -0.840 -2.845 -5.805 37 HE ARG 6 HE ARG 6 -0.258 -3.787 -8.395 38 1HH1 ARG 6 HH11 ARG 6 0.530 -1.164 -6.232 39 2HH1 ARG 6 HH12 ARG 6 0.846 -0.039 -7.510 40 1HH2 ARG 6 HH21 ARG 6 0.159 -2.309 -10.078 41 2HH2 ARG 6 HH22 ARG 6 0.635 -0.688 -9.694 42 H ILE 7 HN ILE 7 1.567 0.498 -3.770 43 HA ILE 7 HA ILE 7 0.662 0.556 -0.965 44 HB ILE 7 HB ILE 7 1.779 2.888 -2.514 45 1HG1 ILE 7 HG12 ILE 7 3.457 1.819 -0.375 46 2HG1 ILE 7 HG11 ILE 7 3.223 0.661 -1.690 47 1HG2 ILE 7 HG21 ILE 7 2.113 3.778 -0.184 48 2HG2 ILE 7 HG22 ILE 7 1.120 2.435 0.385 49 3HG2 ILE 7 HG23 ILE 7 0.438 3.633 -0.715 50 1HD1 ILE 7 HD11 ILE 7 4.129 3.494 -2.121 51 2HD1 ILE 7 HD12 ILE 7 4.138 2.163 -3.278 52 3HD1 ILE 7 HD13 ILE 7 5.230 2.137 -1.894 53 H HIS 8 HN HIS 8 -1.352 1.237 -0.549 54 HA HIS 8 HA HIS 8 -2.761 2.915 -2.473 55 1HB HIS 8 HB2 HIS 8 -4.231 0.515 -1.449 56 2HB HIS 8 HB1 HIS 8 -4.538 1.486 -2.892 57 HD1 HIS 8 HD1 HIS 8 -2.439 1.201 -4.745 58 HD2 HIS 8 HD2 HIS 8 -3.162 -1.878 -2.052 59 HE1 HIS 8 HE1 HIS 8 -1.377 -0.842 -5.758 60 HE2 HIS 8 HE2 HIS 8 -1.934 -2.714 -4.167 61 H ILE 9 HN ILE 9 -3.901 4.444 -1.464 62 HA ILE 9 HA ILE 9 -4.815 3.941 1.286 63 HB ILE 9 HB ILE 9 -3.551 6.527 0.369 64 1HG1 ILE 9 HG12 ILE 9 -1.810 5.824 2.140 65 2HG1 ILE 9 HG11 ILE 9 -2.474 4.201 1.950 66 1HG2 ILE 9 HG21 ILE 9 -4.841 7.293 2.050 67 2HG2 ILE 9 HG22 ILE 9 -3.562 6.623 3.063 68 3HG2 ILE 9 HG23 ILE 9 -5.034 5.695 2.773 69 1HD1 ILE 9 HD11 ILE 9 -1.348 3.875 0.070 70 2HD1 ILE 9 HD12 ILE 9 -0.456 5.346 0.459 71 3HD1 ILE 9 HD13 ILE 9 -1.864 5.421 -0.599 72 H GLY 10 HN GLY 10 -6.966 3.867 0.990 73 1HA GLY 10 HA2 GLY 10 -8.220 5.992 -0.628 74 2HA GLY 10 HA1 GLY 10 -8.943 4.423 -0.288 75 HA PRO 11 HA PRO 11 -10.942 7.227 2.711 76 1HB PRO 11 HB2 PRO 11 -13.266 5.850 2.872 77 2HB PRO 11 HB1 PRO 11 -12.920 6.990 1.564 78 1HG PRO 11 HG2 PRO 11 -12.756 4.007 1.570 79 2HG PRO 11 HG1 PRO 11 -13.364 5.094 0.311 80 1HD PRO 11 HD2 PRO 11 -10.881 3.957 0.250 81 2HD PRO 11 HD1 PRO 11 -11.267 5.509 -0.519 82 H GLY 12 HN GLY 12 -9.034 5.918 3.838 83 1HA GLY 12 HA2 GLY 12 -8.634 5.176 6.035 84 2HA GLY 12 HA1 GLY 12 -10.287 4.580 6.112 85 H ARG 13 HN ARG 13 -8.392 3.836 3.326 86 HA ARG 13 HA ARG 13 -8.189 1.048 4.242 87 1HB ARG 13 HB2 ARG 13 -7.784 1.352 1.398 88 2HB ARG 13 HB1 ARG 13 -8.988 0.397 2.255 89 1HG ARG 13 HG2 ARG 13 -9.245 3.335 1.621 90 2HG ARG 13 HG1 ARG 13 -9.973 2.022 0.690 91 1HD ARG 13 HD2 ARG 13 -10.504 2.104 3.609 92 2HD ARG 13 HD1 ARG 13 -11.287 3.320 2.599 93 HE ARG 13 HE ARG 13 -12.553 1.656 1.596 94 1HH1 ARG 13 HH11 ARG 13 -10.219 0.251 3.786 95 2HH1 ARG 13 HH12 ARG 13 -10.974 -1.305 3.784 96 1HH2 ARG 13 HH21 ARG 13 -13.541 -0.391 1.596 97 2HH2 ARG 13 HH22 ARG 13 -12.858 -1.671 2.543 98 H ALA 14 HN ALA 14 -6.191 1.461 5.324 99 HA ALA 14 HA ALA 14 -3.919 2.458 3.897 100 1HB ALA 14 HB1 ALA 14 -4.172 2.699 6.337 101 2HB ALA 14 HB2 ALA 14 -2.655 1.920 5.885 102 3HB ALA 14 HB3 ALA 14 -3.992 0.952 6.507 103 H PHE 15 HN PHE 15 -2.986 1.352 2.318 104 HA PHE 15 HA PHE 15 -2.472 -1.515 2.731 105 1HB PHE 15 HB2 PHE 15 -3.588 -0.142 0.302 106 2HB PHE 15 HB1 PHE 15 -2.687 -1.645 0.145 107 HD1 PHE 15 HD1 PHE 15 -3.489 -3.618 1.623 108 HD2 PHE 15 HD2 PHE 15 -5.859 -0.204 0.707 109 HE1 PHE 15 HE1 PHE 15 -5.525 -4.895 2.148 110 HE2 PHE 15 HE2 PHE 15 -7.899 -1.476 1.231 111 HZ PHE 15 HZ PHE 15 -7.733 -3.824 1.953 112 H TYR 16 HN TYR 16 -0.579 0.094 3.532 113 HA TYR 16 HA TYR 16 1.268 0.702 1.370 114 1HB TYR 16 HB2 TYR 16 0.989 2.299 3.222 115 2HB TYR 16 HB1 TYR 16 1.546 1.077 4.360 116 HD1 TYR 16 HD1 TYR 16 3.895 0.503 4.513 117 HD2 TYR 16 HD2 TYR 16 2.543 3.398 1.706 118 HE1 TYR 16 HE1 TYR 16 6.214 1.250 4.176 119 HE2 TYR 16 HE2 TYR 16 4.857 4.151 1.359 120 HH TYR 16 HH TYR 16 7.206 3.804 3.239 121 H THR 17 HN THR 17 1.974 -1.253 0.579 122 HA THR 17 HA THR 17 3.438 -2.967 2.478 123 HB THR 17 HB THR 17 3.066 -4.570 0.302 124 HG1 THR 17 HG1 THR 17 1.689 -3.014 -0.665 125 1HG2 THR 17 HG21 THR 17 2.183 -5.848 1.866 126 2HG2 THR 17 HG22 THR 17 0.728 -4.852 1.879 127 3HG2 THR 17 HG23 THR 17 2.077 -4.457 2.944 128 H THR 18 HN THR 18 5.110 -1.243 2.004 129 HA THR 18 HA THR 18 6.487 -1.612 -0.539 130 HB THR 18 HB THR 18 7.702 0.362 -0.030 131 HG1 THR 18 HG1 THR 18 6.810 -0.067 2.614 132 1HG2 THR 18 HG21 THR 18 5.248 0.687 -0.522 133 2HG2 THR 18 HG22 THR 18 6.072 2.021 0.284 134 3HG2 THR 18 HG23 THR 18 5.033 0.935 1.208 135 H LYS 19 HN LYS 19 8.452 -2.569 -0.740 136 HA LYS 19 HA LYS 19 9.304 -4.443 1.140 137 1HB LYS 19 HB2 LYS 19 11.402 -4.541 -0.224 138 2HB LYS 19 HB1 LYS 19 9.922 -4.708 -1.158 139 1HG LYS 19 HG2 LYS 19 10.509 -3.011 -2.447 140 2HG LYS 19 HG1 LYS 19 10.615 -1.948 -1.043 141 1HD LYS 19 HD2 LYS 19 12.923 -3.230 -0.732 142 2HD LYS 19 HD1 LYS 19 12.752 -3.432 -2.478 143 1HE LYS 19 HE2 LYS 19 12.210 -0.723 -1.474 144 2HE LYS 19 HE1 LYS 19 13.874 -1.272 -1.279 145 1HZ LYS 19 HZ1 LYS 19 14.042 -0.485 -3.368 146 2HZ LYS 19 HZ2 LYS 19 12.394 -0.663 -3.705 147 3HZ LYS 19 HZ3 LYS 19 13.422 -2.003 -3.786 Start of MODEL 17 1 1H ARG 4 HT1 ARG 4 9.323 -3.410 -5.921 2 2H ARG 4 HT2 ARG 4 9.660 -4.777 -6.902 3 3H ARG 4 HT3 ARG 4 9.676 -4.921 -5.192 4 HA ARG 4 HA ARG 4 7.366 -4.407 -6.937 5 1HB ARG 4 HB2 ARG 4 8.226 -6.702 -5.166 6 2HB ARG 4 HB1 ARG 4 6.620 -6.566 -5.869 7 1HG ARG 4 HG2 ARG 4 9.147 -6.618 -7.498 8 2HG ARG 4 HG1 ARG 4 8.201 -8.055 -7.103 9 1HD ARG 4 HD2 ARG 4 6.929 -5.675 -8.405 10 2HD ARG 4 HD1 ARG 4 7.788 -6.880 -9.362 11 HE ARG 4 HE ARG 4 6.045 -8.311 -7.802 12 1HH1 ARG 4 HH11 ARG 4 5.757 -5.747 -10.152 13 2HH1 ARG 4 HH12 ARG 4 4.184 -6.240 -10.683 14 1HH2 ARG 4 HH21 ARG 4 3.975 -8.960 -8.500 15 2HH2 ARG 4 HH22 ARG 4 3.172 -8.062 -9.745 16 H LYS 5 HN LYS 5 7.027 -2.392 -5.736 17 HA LYS 5 HA LYS 5 6.365 -2.606 -2.931 18 1HB LYS 5 HB2 LYS 5 7.569 -0.648 -3.691 19 2HB LYS 5 HB1 LYS 5 6.332 -0.314 -4.895 20 1HG LYS 5 HG2 LYS 5 5.331 0.986 -3.439 21 2HG LYS 5 HG1 LYS 5 5.001 -0.433 -2.451 22 1HD LYS 5 HD2 LYS 5 6.766 -0.035 -1.040 23 2HD LYS 5 HD1 LYS 5 7.681 0.848 -2.264 24 1HE LYS 5 HE2 LYS 5 5.116 2.005 -1.296 25 2HE LYS 5 HE1 LYS 5 6.525 2.088 -0.240 26 1HZ LYS 5 HZ1 LYS 5 6.931 2.888 -3.008 27 2HZ LYS 5 HZ2 LYS 5 7.560 3.553 -1.586 28 3HZ LYS 5 HZ3 LYS 5 5.981 3.923 -2.065 29 H ARG 6 HN ARG 6 4.299 -2.286 -2.072 30 HA ARG 6 HA ARG 6 2.098 -2.379 -4.024 31 1HB ARG 6 HB2 ARG 6 2.713 -4.139 -1.740 32 2HB ARG 6 HB1 ARG 6 1.031 -3.612 -1.837 33 1HG ARG 6 HG2 ARG 6 0.937 -4.453 -4.154 34 2HG ARG 6 HG1 ARG 6 2.592 -5.051 -3.979 35 1HD ARG 6 HD2 ARG 6 0.698 -5.872 -1.874 36 2HD ARG 6 HD1 ARG 6 0.386 -6.529 -3.480 37 HE ARG 6 HE ARG 6 2.560 -7.196 -1.724 38 1HH1 ARG 6 HH11 ARG 6 1.491 -7.112 -5.044 39 2HH1 ARG 6 HH12 ARG 6 2.584 -8.352 -5.559 40 1HH2 ARG 6 HH21 ARG 6 3.999 -8.825 -2.397 41 2HH2 ARG 6 HH22 ARG 6 4.009 -9.325 -4.056 42 H ILE 7 HN ILE 7 1.861 -0.107 -3.851 43 HA ILE 7 HA ILE 7 1.124 0.983 -1.246 44 HB ILE 7 HB ILE 7 1.304 2.417 -3.898 45 1HG1 ILE 7 HG12 ILE 7 3.375 2.862 -1.839 46 2HG1 ILE 7 HG11 ILE 7 3.413 1.274 -2.612 47 1HG2 ILE 7 HG21 ILE 7 0.652 3.234 -1.142 48 2HG2 ILE 7 HG22 ILE 7 0.148 3.926 -2.683 49 3HG2 ILE 7 HG23 ILE 7 1.744 4.297 -2.029 50 1HD1 ILE 7 HD11 ILE 7 3.356 3.846 -4.163 51 2HD1 ILE 7 HD12 ILE 7 3.739 2.226 -4.747 52 3HD1 ILE 7 HD13 ILE 7 4.848 3.055 -3.654 53 H HIS 8 HN HIS 8 -0.921 0.741 -0.627 54 HA HIS 8 HA HIS 8 -3.046 1.274 -2.580 55 1HB HIS 8 HB2 HIS 8 -3.362 -0.865 -0.485 56 2HB HIS 8 HB1 HIS 8 -4.326 -0.595 -1.939 57 HD1 HIS 8 HD1 HIS 8 -2.336 -3.095 -0.814 58 HD2 HIS 8 HD2 HIS 8 -2.068 -0.744 -4.228 59 HE1 HIS 8 HE1 HIS 8 -0.944 -4.420 -2.435 60 HE2 HIS 8 HE2 HIS 8 -0.698 -2.926 -4.448 61 H ILE 9 HN ILE 9 -4.488 2.724 -1.894 62 HA ILE 9 HA ILE 9 -5.048 3.014 0.944 63 HB ILE 9 HB ILE 9 -4.145 5.419 -0.632 64 1HG1 ILE 9 HG12 ILE 9 -2.601 3.762 1.377 65 2HG1 ILE 9 HG11 ILE 9 -2.252 3.896 -0.346 66 1HG2 ILE 9 HG21 ILE 9 -4.141 5.339 2.323 67 2HG2 ILE 9 HG22 ILE 9 -5.715 5.380 1.530 68 3HG2 ILE 9 HG23 ILE 9 -4.539 6.658 1.222 69 1HD1 ILE 9 HD11 ILE 9 -1.037 5.707 -0.019 70 2HD1 ILE 9 HD12 ILE 9 -1.203 5.429 1.715 71 3HD1 ILE 9 HD13 ILE 9 -2.336 6.492 0.880 72 H GLY 10 HN GLY 10 -7.194 2.813 0.917 73 1HA GLY 10 HA2 GLY 10 -8.723 4.147 -1.213 74 2HA GLY 10 HA1 GLY 10 -9.311 2.834 -0.200 75 HA PRO 11 HA PRO 11 -11.226 6.491 1.699 76 1HB PRO 11 HB2 PRO 11 -13.315 5.185 2.810 77 2HB PRO 11 HB1 PRO 11 -13.277 5.640 1.101 78 1HG PRO 11 HG2 PRO 11 -12.740 2.989 2.367 79 2HG PRO 11 HG1 PRO 11 -13.615 3.363 0.874 80 1HD PRO 11 HD2 PRO 11 -11.024 2.477 0.940 81 2HD PRO 11 HD1 PRO 11 -11.698 3.465 -0.370 82 H GLY 12 HN GLY 12 -9.096 6.108 2.986 83 1HA GLY 12 HA2 GLY 12 -8.327 6.386 5.173 84 2HA GLY 12 HA1 GLY 12 -9.874 5.793 5.766 85 H ARG 13 HN ARG 13 -8.117 4.038 3.341 86 HA ARG 13 HA ARG 13 -7.558 1.942 5.329 87 1HB ARG 13 HB2 ARG 13 -7.370 1.034 2.583 88 2HB ARG 13 HB1 ARG 13 -8.365 0.422 3.898 89 1HG ARG 13 HG2 ARG 13 -9.080 2.783 2.168 90 2HG ARG 13 HG1 ARG 13 -9.664 1.133 1.923 91 1HD ARG 13 HD2 ARG 13 -10.018 2.412 4.592 92 2HD ARG 13 HD1 ARG 13 -11.076 2.896 3.265 93 HE ARG 13 HE ARG 13 -10.953 0.073 3.470 94 1HH1 ARG 13 HH11 ARG 13 -12.339 2.877 5.014 95 2HH1 ARG 13 HH12 ARG 13 -13.702 2.013 5.642 96 1HH2 ARG 13 HH21 ARG 13 -12.748 -1.065 4.292 97 2HH2 ARG 13 HH22 ARG 13 -13.935 -0.225 5.232 98 H ALA 14 HN ALA 14 -5.570 3.037 5.888 99 HA ALA 14 HA ALA 14 -3.507 3.578 4.059 100 1HB ALA 14 HB1 ALA 14 -3.050 4.604 6.027 101 2HB ALA 14 HB2 ALA 14 -2.105 3.138 6.290 102 3HB ALA 14 HB3 ALA 14 -3.713 3.289 6.997 103 H PHE 15 HN PHE 15 -3.471 1.753 2.654 104 HA PHE 15 HA PHE 15 -2.324 -0.692 3.818 105 1HB PHE 15 HB2 PHE 15 -4.068 -0.151 1.465 106 2HB PHE 15 HB1 PHE 15 -2.936 -1.496 1.352 107 HD1 PHE 15 HD1 PHE 15 -2.955 -3.123 3.421 108 HD2 PHE 15 HD2 PHE 15 -6.154 -0.533 2.338 109 HE1 PHE 15 HE1 PHE 15 -4.526 -4.546 4.671 110 HE2 PHE 15 HE2 PHE 15 -7.730 -1.950 3.586 111 HZ PHE 15 HZ PHE 15 -6.916 -3.959 4.756 112 H TYR 16 HN TYR 16 -0.611 1.457 3.537 113 HA TYR 16 HA TYR 16 0.871 1.088 1.060 114 1HB TYR 16 HB2 TYR 16 0.684 3.360 1.761 115 2HB TYR 16 HB1 TYR 16 1.190 2.969 3.401 116 HD1 TYR 16 HD1 TYR 16 2.310 3.565 -0.035 117 HD2 TYR 16 HD2 TYR 16 3.541 2.649 3.932 118 HE1 TYR 16 HE1 TYR 16 4.629 4.116 -0.635 119 HE2 TYR 16 HE2 TYR 16 5.864 3.198 3.345 120 HH TYR 16 HH TYR 16 7.270 3.296 1.285 121 H THR 17 HN THR 17 1.800 -0.920 1.160 122 HA THR 17 HA THR 17 3.812 -1.292 3.277 123 HB THR 17 HB THR 17 3.356 -3.798 2.952 124 HG1 THR 17 HG1 THR 17 2.052 -3.796 1.178 125 1HG2 THR 17 HG21 THR 17 1.008 -2.368 4.135 126 2HG2 THR 17 HG22 THR 17 2.587 -2.372 4.919 127 3HG2 THR 17 HG23 THR 17 1.742 -3.893 4.627 128 H THR 18 HN THR 18 5.802 -1.543 2.546 129 HA THR 18 HA THR 18 6.245 -1.891 -0.307 130 HB THR 18 HB THR 18 8.417 -1.073 0.050 131 HG1 THR 18 HG1 THR 18 8.068 -1.894 2.731 132 1HG2 THR 18 HG21 THR 18 7.447 0.398 2.380 133 2HG2 THR 18 HG22 THR 18 6.362 0.428 0.990 134 3HG2 THR 18 HG23 THR 18 8.028 0.984 0.821 135 H LYS 19 HN LYS 19 8.739 -3.091 -0.325 136 HA LYS 19 HA LYS 19 9.722 -5.139 -0.454 137 1HB LYS 19 HB2 LYS 19 9.314 -4.719 2.164 138 2HB LYS 19 HB1 LYS 19 8.318 -6.154 1.958 139 1HG LYS 19 HG2 LYS 19 10.095 -7.481 1.896 140 2HG LYS 19 HG1 LYS 19 10.893 -6.472 0.687 141 1HD LYS 19 HD2 LYS 19 12.163 -5.431 2.222 142 2HD LYS 19 HD1 LYS 19 10.833 -5.307 3.375 143 1HE LYS 19 HE2 LYS 19 11.950 -8.006 2.902 144 2HE LYS 19 HE1 LYS 19 12.972 -6.864 3.774 145 1HZ LYS 19 HZ1 LYS 19 10.166 -7.245 4.581 146 2HZ LYS 19 HZ2 LYS 19 11.480 -6.719 5.506 147 3HZ LYS 19 HZ3 LYS 19 11.345 -8.350 5.081 Start of MODEL 18 1 1H ARG 4 HT1 ARG 4 9.565 -6.226 -6.905 2 2H ARG 4 HT2 ARG 4 7.968 -6.837 -6.757 3 3H ARG 4 HT3 ARG 4 8.968 -6.694 -5.369 4 HA ARG 4 HA ARG 4 9.059 -4.263 -5.881 5 1HB ARG 4 HB2 ARG 4 7.672 -5.173 -8.126 6 2HB ARG 4 HB1 ARG 4 6.442 -4.384 -7.148 7 1HG ARG 4 HG2 ARG 4 7.209 -2.668 -8.481 8 2HG ARG 4 HG1 ARG 4 8.139 -2.442 -6.998 9 1HD ARG 4 HD2 ARG 4 10.095 -3.230 -7.951 10 2HD ARG 4 HD1 ARG 4 9.241 -4.128 -9.206 11 HE ARG 4 HE ARG 4 9.325 -2.266 -10.519 12 1HH1 ARG 4 HH11 ARG 4 9.814 -1.294 -7.203 13 2HH1 ARG 4 HH12 ARG 4 10.154 0.356 -7.606 14 1HH2 ARG 4 HH21 ARG 4 9.773 -0.097 -11.050 15 2HH2 ARG 4 HH22 ARG 4 10.131 1.035 -9.790 16 H LYS 5 HN LYS 5 6.853 -2.940 -5.252 17 HA LYS 5 HA LYS 5 5.634 -4.466 -3.047 18 1HB LYS 5 HB2 LYS 5 5.735 -2.593 -1.629 19 2HB LYS 5 HB1 LYS 5 7.319 -2.693 -2.381 20 1HG LYS 5 HG2 LYS 5 5.834 -1.043 -4.058 21 2HG LYS 5 HG1 LYS 5 5.391 -0.553 -2.424 22 1HD LYS 5 HD2 LYS 5 8.266 -1.002 -2.968 23 2HD LYS 5 HD1 LYS 5 7.524 0.422 -3.702 24 1HE LYS 5 HE2 LYS 5 6.552 0.524 -1.156 25 2HE LYS 5 HE1 LYS 5 8.160 -0.150 -0.905 26 1HZ LYS 5 HZ1 LYS 5 7.672 2.455 -1.073 27 2HZ LYS 5 HZ2 LYS 5 8.013 2.128 -2.697 28 3HZ LYS 5 HZ3 LYS 5 9.154 1.762 -1.502 29 H ARG 6 HN ARG 6 3.749 -2.713 -2.196 30 HA ARG 6 HA ARG 6 2.177 -1.857 -4.489 31 1HB ARG 6 HB2 ARG 6 1.727 -4.355 -3.820 32 2HB ARG 6 HB1 ARG 6 0.808 -3.629 -2.499 33 1HG ARG 6 HG2 ARG 6 -0.753 -2.690 -3.934 34 2HG ARG 6 HG1 ARG 6 0.324 -2.794 -5.332 35 1HD ARG 6 HD2 ARG 6 -0.020 -5.094 -5.568 36 2HD ARG 6 HD1 ARG 6 -0.655 -5.260 -3.932 37 HE ARG 6 HE ARG 6 -2.726 -4.762 -4.742 38 1HH1 ARG 6 HH11 ARG 6 -0.351 -3.644 -7.042 39 2HH1 ARG 6 HH12 ARG 6 -1.528 -3.182 -8.223 40 1HH2 ARG 6 HH21 ARG 6 -4.276 -4.155 -6.294 41 2HH2 ARG 6 HH22 ARG 6 -3.759 -3.472 -7.799 42 H ILE 7 HN ILE 7 1.834 0.195 -3.929 43 HA ILE 7 HA ILE 7 0.900 0.751 -1.188 44 HB ILE 7 HB ILE 7 2.308 2.679 -3.036 45 1HG1 ILE 7 HG12 ILE 7 3.635 1.790 -0.551 46 2HG1 ILE 7 HG11 ILE 7 3.501 0.555 -1.809 47 1HG2 ILE 7 HG21 ILE 7 0.876 3.832 -1.507 48 2HG2 ILE 7 HG22 ILE 7 2.537 4.017 -0.944 49 3HG2 ILE 7 HG23 ILE 7 1.461 2.866 -0.152 50 1HD1 ILE 7 HD11 ILE 7 4.402 3.064 -2.905 51 2HD1 ILE 7 HD12 ILE 7 5.152 1.470 -2.967 52 3HD1 ILE 7 HD13 ILE 7 5.441 2.529 -1.586 53 H HIS 8 HN HIS 8 -1.217 1.133 -1.153 54 HA HIS 8 HA HIS 8 -2.361 3.034 -3.027 55 1HB HIS 8 HB2 HIS 8 -4.252 1.546 -3.603 56 2HB HIS 8 HB1 HIS 8 -2.706 0.923 -4.192 57 HD1 HIS 8 HD1 HIS 8 -5.665 -0.214 -2.629 58 HD2 HIS 8 HD2 HIS 8 -1.625 -1.037 -2.112 59 HE1 HIS 8 HE1 HIS 8 -5.577 -2.424 -1.434 60 HE2 HIS 8 HE2 HIS 8 -3.123 -2.950 -1.227 61 H ILE 9 HN ILE 9 -3.712 4.360 -2.004 62 HA ILE 9 HA ILE 9 -4.867 3.469 0.558 63 HB ILE 9 HB ILE 9 -4.071 6.295 -0.146 64 1HG1 ILE 9 HG12 ILE 9 -2.336 5.824 1.716 65 2HG1 ILE 9 HG11 ILE 9 -2.648 4.121 1.375 66 1HG2 ILE 9 HG21 ILE 9 -4.257 6.209 2.547 67 2HG2 ILE 9 HG22 ILE 9 -5.507 5.047 2.098 68 3HG2 ILE 9 HG23 ILE 9 -5.575 6.697 1.480 69 1HD1 ILE 9 HD11 ILE 9 -2.114 5.696 -1.014 70 2HD1 ILE 9 HD12 ILE 9 -1.422 4.164 -0.481 71 3HD1 ILE 9 HD13 ILE 9 -0.781 5.686 0.139 72 H GLY 10 HN GLY 10 -6.990 3.961 0.986 73 1HA GLY 10 HA2 GLY 10 -8.475 5.389 -1.127 74 2HA GLY 10 HA1 GLY 10 -9.043 3.842 -0.509 75 HA PRO 11 HA PRO 11 -11.064 6.655 2.358 76 1HB PRO 11 HB2 PRO 11 -13.364 5.279 2.575 77 2HB PRO 11 HB1 PRO 11 -12.973 6.231 1.138 78 1HG PRO 11 HG2 PRO 11 -13.071 3.316 1.470 79 2HG PRO 11 HG1 PRO 11 -13.132 4.279 -0.014 80 1HD PRO 11 HD2 PRO 11 -10.866 2.921 1.187 81 2HD PRO 11 HD1 PRO 11 -10.966 3.731 -0.388 82 H GLY 12 HN GLY 12 -9.665 6.238 4.131 83 1HA GLY 12 HA2 GLY 12 -9.150 5.467 6.229 84 2HA GLY 12 HA1 GLY 12 -10.841 5.004 6.340 85 H ARG 13 HN ARG 13 -7.998 3.857 4.511 86 HA ARG 13 HA ARG 13 -8.007 1.337 5.856 87 1HB ARG 13 HB2 ARG 13 -8.274 0.210 3.432 88 2HB ARG 13 HB1 ARG 13 -9.618 0.427 4.549 89 1HG ARG 13 HG2 ARG 13 -10.319 1.125 2.383 90 2HG ARG 13 HG1 ARG 13 -10.149 2.564 3.394 91 1HD ARG 13 HD2 ARG 13 -8.841 3.425 1.827 92 2HD ARG 13 HD1 ARG 13 -7.647 2.188 2.218 93 HE ARG 13 HE ARG 13 -9.750 1.589 0.264 94 1HH1 ARG 13 HH11 ARG 13 -6.363 2.105 0.975 95 2HH1 ARG 13 HH12 ARG 13 -5.828 1.479 -0.547 96 1HH2 ARG 13 HH21 ARG 13 -9.038 0.774 -1.729 97 2HH2 ARG 13 HH22 ARG 13 -7.342 0.726 -2.080 98 H ALA 14 HN ALA 14 -6.008 3.063 5.774 99 HA ALA 14 HA ALA 14 -4.206 3.234 3.759 100 1HB ALA 14 HB1 ALA 14 -3.922 4.252 5.979 101 2HB ALA 14 HB2 ALA 14 -2.460 3.439 5.422 102 3HB ALA 14 HB3 ALA 14 -3.488 2.672 6.632 103 H PHE 15 HN PHE 15 -3.014 1.909 2.570 104 HA PHE 15 HA PHE 15 -2.300 -0.732 3.621 105 1HB PHE 15 HB2 PHE 15 -3.668 -0.191 0.981 106 2HB PHE 15 HB1 PHE 15 -2.833 -1.698 1.342 107 HD1 PHE 15 HD1 PHE 15 -5.923 -0.642 0.907 108 HD2 PHE 15 HD2 PHE 15 -3.587 -2.274 4.067 109 HE1 PHE 15 HE1 PHE 15 -7.967 -1.514 1.963 110 HE2 PHE 15 HE2 PHE 15 -5.626 -3.149 5.128 111 HZ PHE 15 HZ PHE 15 -7.820 -2.770 4.077 112 H TYR 16 HN TYR 16 -0.416 0.975 3.770 113 HA TYR 16 HA TYR 16 1.077 1.202 1.285 114 1HB TYR 16 HB2 TYR 16 1.132 3.171 2.607 115 2HB TYR 16 HB1 TYR 16 1.496 2.271 4.074 116 HD1 TYR 16 HD1 TYR 16 2.869 3.759 1.038 117 HD2 TYR 16 HD2 TYR 16 3.770 1.467 4.507 118 HE1 TYR 16 HE1 TYR 16 5.266 4.180 0.686 119 HE2 TYR 16 HE2 TYR 16 6.169 1.881 4.165 120 HH TYR 16 HH TYR 16 7.420 3.173 1.282 121 H THR 17 HN THR 17 1.861 -0.775 0.738 122 HA THR 17 HA THR 17 3.510 -2.174 2.736 123 HB THR 17 HB THR 17 3.087 -4.220 1.585 124 HG1 THR 17 HG1 THR 17 1.664 -2.777 -0.388 125 1HG2 THR 17 HG21 THR 17 0.949 -2.704 2.600 126 2HG2 THR 17 HG22 THR 17 1.074 -4.457 2.453 127 3HG2 THR 17 HG23 THR 17 0.367 -3.509 1.143 128 H THR 18 HN THR 18 5.629 -2.430 2.367 129 HA THR 18 HA THR 18 6.668 -1.628 -0.268 130 HB THR 18 HB THR 18 8.568 -0.663 0.781 131 HG1 THR 18 HG1 THR 18 7.629 -1.942 3.118 132 1HG2 THR 18 HG21 THR 18 6.964 0.404 2.886 133 2HG2 THR 18 HG22 THR 18 6.003 0.269 1.413 134 3HG2 THR 18 HG23 THR 18 7.517 1.174 1.399 135 H LYS 19 HN LYS 19 9.317 -2.375 0.120 136 HA LYS 19 HA LYS 19 9.304 -5.059 -0.618 137 1HB LYS 19 HB2 LYS 19 11.798 -4.938 -0.046 138 2HB LYS 19 HB1 LYS 19 11.190 -3.818 -1.257 139 1HG LYS 19 HG2 LYS 19 12.001 -2.124 -0.091 140 2HG LYS 19 HG1 LYS 19 10.952 -2.552 1.262 141 1HD LYS 19 HD2 LYS 19 12.664 -4.134 2.059 142 2HD LYS 19 HD1 LYS 19 13.717 -3.641 0.731 143 1HE LYS 19 HE2 LYS 19 13.777 -1.372 1.586 144 2HE LYS 19 HE1 LYS 19 12.651 -1.803 2.873 145 1HZ LYS 19 HZ1 LYS 19 14.563 -2.061 4.013 146 2HZ LYS 19 HZ2 LYS 19 15.498 -2.356 2.635 147 3HZ LYS 19 HZ3 LYS 19 14.555 -3.594 3.297 Start of MODEL 19 1 1H ARG 4 HT1 ARG 4 8.579 -6.301 -6.786 2 2H ARG 4 HT2 ARG 4 8.133 -6.047 -5.149 3 3H ARG 4 HT3 ARG 4 8.775 -4.753 -6.076 4 HA ARG 4 HA ARG 4 6.906 -4.564 -7.356 5 1HB ARG 4 HB2 ARG 4 5.034 -6.316 -6.998 6 2HB ARG 4 HB1 ARG 4 6.416 -6.755 -7.991 7 1HG ARG 4 HG2 ARG 4 6.096 -8.622 -6.662 8 2HG ARG 4 HG1 ARG 4 7.383 -7.756 -5.824 9 1HD ARG 4 HD2 ARG 4 6.007 -7.107 -4.097 10 2HD ARG 4 HD1 ARG 4 4.548 -7.216 -5.081 11 HE ARG 4 HE ARG 4 5.778 -9.323 -3.557 12 1HH1 ARG 4 HH11 ARG 4 3.677 -8.580 -6.243 13 2HH1 ARG 4 HH12 ARG 4 2.860 -10.105 -6.187 14 1HH2 ARG 4 HH21 ARG 4 4.705 -11.331 -3.484 15 2HH2 ARG 4 HH22 ARG 4 3.442 -11.667 -4.621 16 H LYS 5 HN LYS 5 7.490 -3.184 -5.220 17 HA LYS 5 HA LYS 5 6.007 -3.368 -2.901 18 1HB LYS 5 HB2 LYS 5 7.729 -1.511 -4.026 19 2HB LYS 5 HB1 LYS 5 6.226 -0.617 -3.836 20 1HG LYS 5 HG2 LYS 5 7.107 -2.244 -1.539 21 2HG LYS 5 HG1 LYS 5 8.056 -0.807 -1.914 22 1HD LYS 5 HD2 LYS 5 5.092 -0.572 -1.835 23 2HD LYS 5 HD1 LYS 5 5.958 -0.708 -0.308 24 1HE LYS 5 HE2 LYS 5 6.135 1.432 -2.394 25 2HE LYS 5 HE1 LYS 5 5.801 1.586 -0.670 26 1HZ LYS 5 HZ1 LYS 5 8.227 0.571 -0.553 27 2HZ LYS 5 HZ2 LYS 5 7.953 2.234 -0.679 28 3HZ LYS 5 HZ3 LYS 5 8.354 1.338 -2.056 29 H ARG 6 HN ARG 6 4.093 -2.216 -2.174 30 HA ARG 6 HA ARG 6 2.233 -1.501 -4.331 31 1HB ARG 6 HB2 ARG 6 0.434 -2.712 -2.934 32 2HB ARG 6 HB1 ARG 6 1.511 -3.681 -3.942 33 1HG ARG 6 HG2 ARG 6 2.495 -3.255 -1.222 34 2HG ARG 6 HG1 ARG 6 0.966 -4.139 -1.311 35 1HD ARG 6 HD2 ARG 6 2.237 -5.464 -3.199 36 2HD ARG 6 HD1 ARG 6 3.662 -4.876 -2.342 37 HE ARG 6 HE ARG 6 1.678 -6.133 -0.665 38 1HH1 ARG 6 HH11 ARG 6 4.536 -6.609 -2.613 39 2HH1 ARG 6 HH12 ARG 6 4.999 -8.065 -1.798 40 1HH2 ARG 6 HH21 ARG 6 2.285 -8.047 0.404 41 2HH2 ARG 6 HH22 ARG 6 3.722 -8.883 -0.086 42 H ILE 7 HN ILE 7 1.593 0.503 -3.983 43 HA ILE 7 HA ILE 7 1.017 1.346 -1.215 44 HB ILE 7 HB ILE 7 2.032 3.200 -3.366 45 1HG1 ILE 7 HG12 ILE 7 3.656 2.074 -1.079 46 2HG1 ILE 7 HG11 ILE 7 3.706 1.414 -2.718 47 1HG2 ILE 7 HG21 ILE 7 1.108 4.621 -1.875 48 2HG2 ILE 7 HG22 ILE 7 2.641 4.377 -1.035 49 3HG2 ILE 7 HG23 ILE 7 1.211 3.468 -0.545 50 1HD1 ILE 7 HD11 ILE 7 5.214 3.527 -1.653 51 2HD1 ILE 7 HD12 ILE 7 4.100 4.241 -2.818 52 3HD1 ILE 7 HD13 ILE 7 5.185 2.943 -3.316 53 H HIS 8 HN HIS 8 -1.139 1.552 -1.058 54 HA HIS 8 HA HIS 8 -2.530 3.242 -2.961 55 1HB HIS 8 HB2 HIS 8 -4.356 1.145 -2.651 56 2HB HIS 8 HB1 HIS 8 -3.476 1.579 -4.118 57 HD1 HIS 8 HD1 HIS 8 -2.368 -0.373 -5.119 58 HD2 HIS 8 HD2 HIS 8 -2.527 -0.668 -0.979 59 HE1 HIS 8 HE1 HIS 8 -1.284 -2.572 -4.561 60 HE2 HIS 8 HE2 HIS 8 -1.448 -2.759 -2.053 61 H ILE 9 HN ILE 9 -3.909 4.537 -1.945 62 HA ILE 9 HA ILE 9 -4.652 3.857 0.820 63 HB ILE 9 HB ILE 9 -4.772 6.604 -0.412 64 1HG1 ILE 9 HG12 ILE 9 -2.457 5.734 -0.526 65 2HG1 ILE 9 HG11 ILE 9 -2.610 7.072 0.613 66 1HG2 ILE 9 HG21 ILE 9 -4.967 5.497 2.365 67 2HG2 ILE 9 HG22 ILE 9 -6.067 6.586 1.520 68 3HG2 ILE 9 HG23 ILE 9 -4.504 7.176 2.083 69 1HD1 ILE 9 HD11 ILE 9 -2.417 4.144 1.270 70 2HD1 ILE 9 HD12 ILE 9 -2.724 5.417 2.451 71 3HD1 ILE 9 HD13 ILE 9 -1.201 5.388 1.561 72 H GLY 10 HN GLY 10 -6.697 3.351 1.224 73 1HA GLY 10 HA2 GLY 10 -8.729 4.011 -0.804 74 2HA GLY 10 HA1 GLY 10 -8.847 2.709 0.375 75 HA PRO 11 HA PRO 11 -11.344 6.160 2.084 76 1HB PRO 11 HB2 PRO 11 -13.442 4.662 2.882 77 2HB PRO 11 HB1 PRO 11 -13.259 5.233 1.220 78 1HG PRO 11 HG2 PRO 11 -12.740 2.533 2.358 79 2HG PRO 11 HG1 PRO 11 -13.412 2.980 0.783 80 1HD PRO 11 HD2 PRO 11 -10.790 2.215 1.222 81 2HD PRO 11 HD1 PRO 11 -11.353 3.156 -0.171 82 H GLY 12 HN GLY 12 -9.329 5.814 3.532 83 1HA GLY 12 HA2 GLY 12 -8.789 5.974 5.804 84 2HA GLY 12 HA1 GLY 12 -10.320 5.200 6.199 85 H ARG 13 HN ARG 13 -8.315 3.800 3.768 86 HA ARG 13 HA ARG 13 -7.273 1.817 5.656 87 1HB ARG 13 HB2 ARG 13 -7.775 0.205 3.573 88 2HB ARG 13 HB1 ARG 13 -8.917 0.451 4.891 89 1HG ARG 13 HG2 ARG 13 -9.153 2.385 2.691 90 2HG ARG 13 HG1 ARG 13 -9.507 0.708 2.256 91 1HD ARG 13 HD2 ARG 13 -10.698 1.522 4.790 92 2HD ARG 13 HD1 ARG 13 -11.249 2.484 3.417 93 HE ARG 13 HE ARG 13 -11.503 -0.016 2.484 94 1HH1 ARG 13 HH11 ARG 13 -12.532 1.454 5.479 95 2HH1 ARG 13 HH12 ARG 13 -13.900 0.409 5.664 96 1HH2 ARG 13 HH21 ARG 13 -13.301 -1.388 2.727 97 2HH2 ARG 13 HH22 ARG 13 -14.338 -1.204 4.103 98 H ALA 14 HN ALA 14 -5.296 3.048 5.343 99 HA ALA 14 HA ALA 14 -4.079 3.261 2.780 100 1HB ALA 14 HB1 ALA 14 -2.081 3.943 3.999 101 2HB ALA 14 HB2 ALA 14 -2.810 3.410 5.513 102 3HB ALA 14 HB3 ALA 14 -3.510 4.766 4.627 103 H PHE 15 HN PHE 15 -3.908 1.311 1.745 104 HA PHE 15 HA PHE 15 -2.745 -0.964 3.117 105 1HB PHE 15 HB2 PHE 15 -4.150 -0.516 0.545 106 2HB PHE 15 HB1 PHE 15 -2.970 -1.822 0.574 107 HD1 PHE 15 HD1 PHE 15 -5.916 -0.512 2.424 108 HD2 PHE 15 HD2 PHE 15 -3.577 -3.907 1.373 109 HE1 PHE 15 HE1 PHE 15 -7.581 -1.981 3.484 110 HE2 PHE 15 HE2 PHE 15 -5.237 -5.383 2.430 111 HZ PHE 15 HZ PHE 15 -7.243 -4.420 3.487 112 H TYR 16 HN TYR 16 -0.873 0.881 3.225 113 HA TYR 16 HA TYR 16 0.926 0.646 0.949 114 1HB TYR 16 HB2 TYR 16 0.912 2.829 1.812 115 2HB TYR 16 HB1 TYR 16 0.905 2.272 3.480 116 HD1 TYR 16 HD1 TYR 16 2.973 1.639 4.588 117 HD2 TYR 16 HD2 TYR 16 2.983 2.964 0.546 118 HE1 TYR 16 HE1 TYR 16 5.409 1.953 4.704 119 HE2 TYR 16 HE2 TYR 16 5.419 3.281 0.649 120 HH TYR 16 HH TYR 16 7.146 3.702 2.456 121 H THR 17 HN THR 17 2.483 -0.852 0.826 122 HA THR 17 HA THR 17 3.715 -1.864 3.250 123 HB THR 17 HB THR 17 2.063 -3.498 3.196 124 HG1 THR 17 HG1 THR 17 3.937 -4.626 3.222 125 1HG2 THR 17 HG21 THR 17 2.108 -4.517 0.528 126 2HG2 THR 17 HG22 THR 17 1.706 -2.800 0.508 127 3HG2 THR 17 HG23 THR 17 0.748 -3.919 1.477 128 H THR 18 HN THR 18 5.800 -2.040 2.979 129 HA THR 18 HA THR 18 6.870 -2.298 0.253 130 HB THR 18 HB THR 18 8.598 -0.839 0.766 131 HG1 THR 18 HG1 THR 18 8.134 -1.547 3.458 132 1HG2 THR 18 HG21 THR 18 7.538 1.069 1.188 133 2HG2 THR 18 HG22 THR 18 7.064 0.543 2.801 134 3HG2 THR 18 HG23 THR 18 6.086 0.092 1.405 135 H LYS 19 HN LYS 19 8.221 -3.938 -0.185 136 HA LYS 19 HA LYS 19 8.567 -6.011 1.752 137 1HB LYS 19 HB2 LYS 19 8.270 -6.292 -0.770 138 2HB LYS 19 HB1 LYS 19 9.961 -5.834 -0.913 139 1HG LYS 19 HG2 LYS 19 10.418 -7.997 -0.704 140 2HG LYS 19 HG1 LYS 19 10.014 -7.806 1.003 141 1HD LYS 19 HD2 LYS 19 7.930 -8.421 -1.076 142 2HD LYS 19 HD1 LYS 19 8.854 -9.690 -0.270 143 1HE LYS 19 HE2 LYS 19 7.443 -7.598 1.337 144 2HE LYS 19 HE1 LYS 19 6.547 -8.970 0.687 145 1HZ LYS 19 HZ1 LYS 19 8.978 -9.241 2.367 146 2HZ LYS 19 HZ2 LYS 19 7.920 -10.471 1.891 147 3HZ LYS 19 HZ3 LYS 19 7.402 -9.288 2.982 Start of MODEL 20 1 1H ARG 4 HT1 ARG 4 7.003 -2.586 -7.217 2 2H ARG 4 HT2 ARG 4 8.464 -2.903 -8.058 3 3H ARG 4 HT3 ARG 4 8.509 -2.238 -6.478 4 HA ARG 4 HA ARG 4 7.772 -4.943 -7.329 5 1HB ARG 4 HB2 ARG 4 10.155 -4.045 -6.735 6 2HB ARG 4 HB1 ARG 4 9.575 -4.118 -5.076 7 1HG ARG 4 HG2 ARG 4 9.085 -6.505 -5.366 8 2HG ARG 4 HG1 ARG 4 9.714 -6.421 -7.012 9 1HD ARG 4 HD2 ARG 4 11.861 -6.382 -6.328 10 2HD ARG 4 HD1 ARG 4 11.504 -5.378 -4.924 11 HE ARG 4 HE ARG 4 11.633 -8.246 -5.018 12 1HH1 ARG 4 HH11 ARG 4 10.291 -5.502 -3.328 13 2HH1 ARG 4 HH12 ARG 4 10.074 -6.366 -1.843 14 1HH2 ARG 4 HH21 ARG 4 11.345 -9.382 -3.067 15 2HH2 ARG 4 HH22 ARG 4 10.673 -8.569 -1.694 16 H LYS 5 HN LYS 5 7.358 -2.476 -4.862 17 HA LYS 5 HA LYS 5 6.008 -4.264 -3.043 18 1HB LYS 5 HB2 LYS 5 6.041 -2.554 -1.519 19 2HB LYS 5 HB1 LYS 5 7.422 -2.122 -2.514 20 1HG LYS 5 HG2 LYS 5 5.666 -0.695 -3.824 21 2HG LYS 5 HG1 LYS 5 4.736 -0.837 -2.332 22 1HD LYS 5 HD2 LYS 5 6.131 1.213 -2.448 23 2HD LYS 5 HD1 LYS 5 6.503 0.183 -1.067 24 1HE LYS 5 HE2 LYS 5 8.565 -0.323 -1.830 25 2HE LYS 5 HE1 LYS 5 8.048 -0.340 -3.517 26 1HZ LYS 5 HZ1 LYS 5 9.055 1.870 -1.903 27 2HZ LYS 5 HZ2 LYS 5 7.837 2.240 -3.017 28 3HZ LYS 5 HZ3 LYS 5 9.284 1.539 -3.546 29 H ARG 6 HN ARG 6 3.949 -2.661 -2.100 30 HA ARG 6 HA ARG 6 2.188 -2.242 -4.386 31 1HB ARG 6 HB2 ARG 6 1.277 -3.859 -2.005 32 2HB ARG 6 HB1 ARG 6 0.432 -3.613 -3.536 33 1HG ARG 6 HG2 ARG 6 2.278 -4.867 -4.661 34 2HG ARG 6 HG1 ARG 6 2.920 -5.240 -3.058 35 1HD ARG 6 HD2 ARG 6 0.304 -5.959 -2.789 36 2HD ARG 6 HD1 ARG 6 0.609 -6.358 -4.479 37 HE ARG 6 HE ARG 6 2.633 -7.327 -2.686 38 1HH1 ARG 6 HH11 ARG 6 -0.470 -8.009 -4.128 39 2HH1 ARG 6 HH12 ARG 6 -0.323 -9.723 -3.937 40 1HH2 ARG 6 HH21 ARG 6 2.831 -9.583 -2.437 41 2HH2 ARG 6 HH22 ARG 6 1.551 -10.617 -2.978 42 H ILE 7 HN ILE 7 1.968 -0.092 -4.082 43 HA ILE 7 HA ILE 7 1.191 0.875 -1.420 44 HB ILE 7 HB ILE 7 1.889 2.599 -3.789 45 1HG1 ILE 7 HG12 ILE 7 4.020 2.364 -1.837 46 2HG1 ILE 7 HG11 ILE 7 3.647 0.792 -2.550 47 1HG2 ILE 7 HG21 ILE 7 0.854 3.214 -1.321 48 2HG2 ILE 7 HG22 ILE 7 1.697 4.330 -2.394 49 3HG2 ILE 7 HG23 ILE 7 2.579 3.507 -1.110 50 1HD1 ILE 7 HD11 ILE 7 3.722 2.651 -4.662 51 2HD1 ILE 7 HD12 ILE 7 4.860 1.351 -4.306 52 3HD1 ILE 7 HD13 ILE 7 5.130 2.963 -3.645 53 H HIS 8 HN HIS 8 -0.949 0.933 -1.120 54 HA HIS 8 HA HIS 8 -2.620 2.242 -3.120 55 1HB HIS 8 HB2 HIS 8 -3.489 -0.383 -1.914 56 2HB HIS 8 HB1 HIS 8 -4.246 0.511 -3.235 57 HD1 HIS 8 HD1 HIS 8 -2.441 -2.428 -2.780 58 HD2 HIS 8 HD2 HIS 8 -2.058 0.736 -5.443 59 HE1 HIS 8 HE1 HIS 8 -1.139 -3.344 -4.727 60 HE2 HIS 8 HE2 HIS 8 -1.007 -1.439 -6.371 61 H ILE 9 HN ILE 9 -3.982 3.633 -2.193 62 HA ILE 9 HA ILE 9 -4.552 3.308 0.682 63 HB ILE 9 HB ILE 9 -4.562 5.930 -0.807 64 1HG1 ILE 9 HG12 ILE 9 -2.298 4.921 -0.843 65 2HG1 ILE 9 HG11 ILE 9 -2.365 6.381 0.145 66 1HG2 ILE 9 HG21 ILE 9 -4.442 5.309 2.141 67 2HG2 ILE 9 HG22 ILE 9 -5.890 5.800 1.261 68 3HG2 ILE 9 HG23 ILE 9 -4.528 6.911 1.407 69 1HD1 ILE 9 HD11 ILE 9 -2.906 4.102 1.779 70 2HD1 ILE 9 HD12 ILE 9 -1.587 5.269 1.887 71 3HD1 ILE 9 HD13 ILE 9 -1.420 3.841 0.866 72 H GLY 10 HN GLY 10 -6.612 2.951 1.186 73 1HA GLY 10 HA2 GLY 10 -8.654 3.424 -0.868 74 2HA GLY 10 HA1 GLY 10 -8.815 2.352 0.517 75 HA PRO 11 HA PRO 11 -11.240 6.199 1.443 76 1HB PRO 11 HB2 PRO 11 -13.043 4.245 2.711 77 2HB PRO 11 HB1 PRO 11 -13.399 5.481 1.500 78 1HG PRO 11 HG2 PRO 11 -13.395 2.866 0.889 79 2HG PRO 11 HG1 PRO 11 -12.854 4.099 -0.266 80 1HD PRO 11 HD2 PRO 11 -11.220 2.282 1.470 81 2HD PRO 11 HD1 PRO 11 -10.971 2.741 -0.229 82 H GLY 12 HN GLY 12 -9.127 6.096 2.861 83 1HA GLY 12 HA2 GLY 12 -8.447 6.709 5.003 84 2HA GLY 12 HA1 GLY 12 -10.029 6.236 5.611 85 H ARG 13 HN ARG 13 -8.562 3.907 3.623 86 HA ARG 13 HA ARG 13 -7.771 2.353 5.990 87 1HB ARG 13 HB2 ARG 13 -8.040 0.560 3.861 88 2HB ARG 13 HB1 ARG 13 -9.149 0.774 5.211 89 1HG ARG 13 HG2 ARG 13 -9.365 2.452 2.731 90 2HG ARG 13 HG1 ARG 13 -10.101 0.850 2.841 91 1HD ARG 13 HD2 ARG 13 -10.599 3.095 4.790 92 2HD ARG 13 HD1 ARG 13 -11.642 2.717 3.416 93 HE ARG 13 HE ARG 13 -11.575 1.381 5.924 94 1HH1 ARG 13 HH11 ARG 13 -12.064 0.838 2.512 95 2HH1 ARG 13 HH12 ARG 13 -13.063 -0.556 2.750 96 1HH2 ARG 13 HH21 ARG 13 -12.888 -0.452 6.239 97 2HH2 ARG 13 HH22 ARG 13 -13.532 -1.288 4.866 98 H ALA 14 HN ALA 14 -5.708 3.519 5.800 99 HA ALA 14 HA ALA 14 -4.016 3.194 3.554 100 1HB ALA 14 HB1 ALA 14 -3.452 4.986 4.913 101 2HB ALA 14 HB2 ALA 14 -2.210 3.794 5.298 102 3HB ALA 14 HB3 ALA 14 -3.573 4.034 6.392 103 H PHE 15 HN PHE 15 -3.070 1.408 2.865 104 HA PHE 15 HA PHE 15 -1.923 -0.455 4.789 105 1HB PHE 15 HB2 PHE 15 -2.946 -2.407 3.831 106 2HB PHE 15 HB1 PHE 15 -4.227 -1.283 4.264 107 HD1 PHE 15 HD1 PHE 15 -3.312 -3.553 1.897 108 HD2 PHE 15 HD2 PHE 15 -4.674 0.467 2.185 109 HE1 PHE 15 HE1 PHE 15 -4.194 -3.693 -0.395 110 HE2 PHE 15 HE2 PHE 15 -5.560 0.335 -0.106 111 HZ PHE 15 HZ PHE 15 -5.321 -1.746 -1.399 112 H TYR 16 HN TYR 16 -0.501 1.299 3.344 113 HA TYR 16 HA TYR 16 0.447 0.010 0.914 114 1HB TYR 16 HB2 TYR 16 0.654 2.178 0.366 115 2HB TYR 16 HB1 TYR 16 0.496 2.692 2.039 116 HD1 TYR 16 HD1 TYR 16 2.269 3.848 2.948 117 HD2 TYR 16 HD2 TYR 16 3.034 1.067 -0.178 118 HE1 TYR 16 HE1 TYR 16 4.643 4.482 2.975 119 HE2 TYR 16 HE2 TYR 16 5.409 1.691 -0.161 120 HH TYR 16 HH TYR 16 6.843 3.409 2.315 121 H THR 17 HN THR 17 2.208 -1.235 0.789 122 HA THR 17 HA THR 17 4.097 -1.213 3.048 123 HB THR 17 HB THR 17 4.283 -3.779 2.304 124 HG1 THR 17 HG1 THR 17 2.618 -3.595 0.756 125 1HG2 THR 17 HG21 THR 17 2.333 -2.570 4.230 126 2HG2 THR 17 HG22 THR 17 3.888 -3.332 4.562 127 3HG2 THR 17 HG23 THR 17 2.518 -4.314 4.044 128 H THR 18 HN THR 18 6.249 -1.602 2.572 129 HA THR 18 HA THR 18 6.944 -1.472 -0.280 130 HB THR 18 HB THR 18 8.891 -0.228 0.297 131 HG1 THR 18 HG1 THR 18 9.641 -1.135 2.123 132 1HG2 THR 18 HG21 THR 18 6.389 0.688 1.596 133 2HG2 THR 18 HG22 THR 18 7.317 1.410 0.281 134 3HG2 THR 18 HG23 THR 18 7.884 1.557 1.945 135 H LYS 19 HN LYS 19 6.430 -3.914 1.187 136 HA LYS 19 HA LYS 19 9.069 -5.168 0.863 137 1HB LYS 19 HB2 LYS 19 8.359 -6.735 2.756 138 2HB LYS 19 HB1 LYS 19 8.868 -5.113 3.204 139 1HG LYS 19 HG2 LYS 19 6.520 -4.435 3.381 140 2HG LYS 19 HG1 LYS 19 6.024 -6.075 2.960 141 1HD LYS 19 HD2 LYS 19 6.550 -6.900 5.005 142 2HD LYS 19 HD1 LYS 19 7.931 -5.819 5.202 143 1HE LYS 19 HE2 LYS 19 6.575 -4.849 6.729 144 2HE LYS 19 HE1 LYS 19 5.949 -4.022 5.305 145 1HZ LYS 19 HZ1 LYS 19 4.221 -4.993 6.777 146 2HZ LYS 19 HZ2 LYS 19 4.799 -6.534 6.388 147 3HZ LYS 19 HZ3 LYS 19 4.145 -5.546 5.180 Start of MODEL 21 1 1H ARG 4 HT1 ARG 4 9.260 -5.433 -6.071 2 2H ARG 4 HT2 ARG 4 7.790 -4.730 -6.608 3 3H ARG 4 HT3 ARG 4 8.390 -6.151 -7.360 4 HA ARG 4 HA ARG 4 6.723 -6.892 -6.007 5 1HB ARG 4 HB2 ARG 4 9.184 -7.131 -4.278 6 2HB ARG 4 HB1 ARG 4 7.891 -8.303 -4.486 7 1HG ARG 4 HG2 ARG 4 8.620 -8.860 -6.667 8 2HG ARG 4 HG1 ARG 4 9.726 -7.486 -6.720 9 1HD ARG 4 HD2 ARG 4 9.944 -9.908 -4.937 10 2HD ARG 4 HD1 ARG 4 10.961 -9.532 -6.326 11 HE ARG 4 HE ARG 4 11.177 -7.378 -4.617 12 1HH1 ARG 4 HH11 ARG 4 11.854 -10.799 -4.491 13 2HH1 ARG 4 HH12 ARG 4 13.152 -10.628 -3.359 14 1HH2 ARG 4 HH21 ARG 4 12.887 -7.150 -3.130 15 2HH2 ARG 4 HH22 ARG 4 13.740 -8.557 -2.585 16 H LYS 5 HN LYS 5 5.758 -4.674 -5.535 17 HA LYS 5 HA LYS 5 5.094 -4.499 -2.824 18 1HB LYS 5 HB2 LYS 5 6.403 -2.896 -1.908 19 2HB LYS 5 HB1 LYS 5 7.560 -3.487 -3.088 20 1HG LYS 5 HG2 LYS 5 6.330 -1.602 -4.557 21 2HG LYS 5 HG1 LYS 5 6.134 -0.912 -2.946 22 1HD LYS 5 HD2 LYS 5 8.683 -1.621 -4.378 23 2HD LYS 5 HD1 LYS 5 8.156 -0.041 -3.799 24 1HE LYS 5 HE2 LYS 5 8.533 -0.626 -1.553 25 2HE LYS 5 HE1 LYS 5 8.668 -2.338 -1.932 26 1HZ LYS 5 HZ1 LYS 5 10.801 -2.120 -2.576 27 2HZ LYS 5 HZ2 LYS 5 10.763 -0.766 -1.562 28 3HZ LYS 5 HZ3 LYS 5 10.580 -0.576 -3.234 29 H ARG 6 HN ARG 6 3.571 -2.830 -2.360 30 HA ARG 6 HA ARG 6 2.751 -1.089 -4.499 31 1HB ARG 6 HB2 ARG 6 0.306 -2.295 -3.822 32 2HB ARG 6 HB1 ARG 6 1.147 -2.376 -5.368 33 1HG ARG 6 HG2 ARG 6 2.319 -4.302 -3.633 34 2HG ARG 6 HG1 ARG 6 0.565 -4.468 -3.540 35 1HD ARG 6 HD2 ARG 6 0.472 -5.387 -5.563 36 2HD ARG 6 HD1 ARG 6 1.426 -4.084 -6.269 37 HE ARG 6 HE ARG 6 3.262 -5.441 -6.189 38 1HH1 ARG 6 HH11 ARG 6 0.815 -6.754 -4.076 39 2HH1 ARG 6 HH12 ARG 6 1.689 -8.214 -3.765 40 1HH2 ARG 6 HH21 ARG 6 4.415 -7.360 -5.781 41 2HH2 ARG 6 HH22 ARG 6 3.735 -8.560 -4.732 42 H ILE 7 HN ILE 7 1.582 0.650 -3.802 43 HA ILE 7 HA ILE 7 0.868 0.710 -0.943 44 HB ILE 7 HB ILE 7 1.942 3.128 -2.359 45 1HG1 ILE 7 HG12 ILE 7 3.995 2.187 -0.727 46 2HG1 ILE 7 HG11 ILE 7 3.420 0.740 -1.564 47 1HG2 ILE 7 HG21 ILE 7 2.389 3.907 -0.120 48 2HG2 ILE 7 HG22 ILE 7 1.899 2.352 0.553 49 3HG2 ILE 7 HG23 ILE 7 0.707 3.386 -0.237 50 1HD1 ILE 7 HD11 ILE 7 4.815 1.371 -3.180 51 2HD1 ILE 7 HD12 ILE 7 4.935 3.021 -2.568 52 3HD1 ILE 7 HD13 ILE 7 3.578 2.558 -3.595 53 H HIS 8 HN HIS 8 -1.278 0.906 -0.842 54 HA HIS 8 HA HIS 8 -2.585 2.826 -2.654 55 1HB HIS 8 HB2 HIS 8 -3.937 0.343 -1.604 56 2HB HIS 8 HB1 HIS 8 -4.469 1.409 -2.909 57 HD1 HIS 8 HD1 HIS 8 -3.692 -1.814 -2.859 58 HD2 HIS 8 HD2 HIS 8 -1.706 1.337 -4.702 59 HE1 HIS 8 HE1 HIS 8 -2.347 -2.859 -4.709 60 HE2 HIS 8 HE2 HIS 8 -1.222 -0.922 -5.864 61 H ILE 9 HN ILE 9 -3.701 4.387 -1.680 62 HA ILE 9 HA ILE 9 -4.561 3.973 1.106 63 HB ILE 9 HB ILE 9 -3.503 6.586 0.033 64 1HG1 ILE 9 HG12 ILE 9 -1.656 5.890 1.842 65 2HG1 ILE 9 HG11 ILE 9 -2.131 4.275 1.312 66 1HG2 ILE 9 HG21 ILE 9 -3.391 7.119 2.485 67 2HG2 ILE 9 HG22 ILE 9 -4.307 5.640 2.774 68 3HG2 ILE 9 HG23 ILE 9 -5.017 6.947 1.827 69 1HD1 ILE 9 HD11 ILE 9 -1.265 6.458 -0.564 70 2HD1 ILE 9 HD12 ILE 9 -1.506 4.751 -0.931 71 3HD1 ILE 9 HD13 ILE 9 -0.176 5.249 0.115 72 H GLY 10 HN GLY 10 -6.715 3.912 1.046 73 1HA GLY 10 HA2 GLY 10 -8.105 5.902 -0.645 74 2HA GLY 10 HA1 GLY 10 -8.734 4.289 -0.324 75 HA PRO 11 HA PRO 11 -10.886 6.960 2.700 76 1HB PRO 11 HB2 PRO 11 -13.115 5.423 2.860 77 2HB PRO 11 HB1 PRO 11 -12.860 6.613 1.576 78 1HG PRO 11 HG2 PRO 11 -12.476 3.648 1.513 79 2HG PRO 11 HG1 PRO 11 -13.189 4.713 0.288 80 1HD PRO 11 HD2 PRO 11 -10.641 3.777 0.135 81 2HD PRO 11 HD1 PRO 11 -11.140 5.341 -0.540 82 H GLY 12 HN GLY 12 -8.901 5.790 3.829 83 1HA GLY 12 HA2 GLY 12 -8.409 5.031 5.987 84 2HA GLY 12 HA1 GLY 12 -10.048 4.406 6.116 85 H ARG 13 HN ARG 13 -8.194 3.661 3.295 86 HA ARG 13 HA ARG 13 -8.050 0.866 4.170 87 1HB ARG 13 HB2 ARG 13 -7.365 1.403 1.373 88 2HB ARG 13 HB1 ARG 13 -8.510 0.252 2.051 89 1HG ARG 13 HG2 ARG 13 -9.009 3.181 1.544 90 2HG ARG 13 HG1 ARG 13 -9.641 1.823 0.605 91 1HD ARG 13 HD2 ARG 13 -10.184 1.777 3.509 92 2HD ARG 13 HD1 ARG 13 -11.002 3.036 2.580 93 HE ARG 13 HE ARG 13 -11.244 0.472 1.355 94 1HH1 ARG 13 HH11 ARG 13 -12.530 2.491 3.895 95 2HH1 ARG 13 HH12 ARG 13 -14.077 1.713 3.901 96 1HH2 ARG 13 HH21 ARG 13 -13.276 -0.554 1.364 97 2HH2 ARG 13 HH22 ARG 13 -14.501 -0.016 2.465 98 H ALA 14 HN ALA 14 -6.175 1.319 5.494 99 HA ALA 14 HA ALA 14 -3.753 2.316 4.439 100 1HB ALA 14 HB1 ALA 14 -4.395 0.670 6.868 101 2HB ALA 14 HB2 ALA 14 -3.979 2.382 6.775 102 3HB ALA 14 HB3 ALA 14 -2.748 1.156 6.469 103 H PHE 15 HN PHE 15 -3.621 1.151 2.412 104 HA PHE 15 HA PHE 15 -2.734 -1.639 2.691 105 1HB PHE 15 HB2 PHE 15 -3.836 -0.104 0.339 106 2HB PHE 15 HB1 PHE 15 -3.050 -1.667 0.158 107 HD1 PHE 15 HD1 PHE 15 -6.069 -0.461 -0.133 108 HD2 PHE 15 HD2 PHE 15 -4.040 -3.141 2.476 109 HE1 PHE 15 HE1 PHE 15 -8.201 -1.580 0.367 110 HE2 PHE 15 HE2 PHE 15 -6.168 -4.267 2.980 111 HZ PHE 15 HZ PHE 15 -8.253 -3.487 1.925 112 H TYR 16 HN TYR 16 -0.894 0.079 3.553 113 HA TYR 16 HA TYR 16 0.923 0.768 1.386 114 1HB TYR 16 HB2 TYR 16 0.727 2.416 3.109 115 2HB TYR 16 HB1 TYR 16 0.990 1.220 4.372 116 HD1 TYR 16 HD1 TYR 16 2.544 3.506 2.048 117 HD2 TYR 16 HD2 TYR 16 3.271 0.235 4.668 118 HE1 TYR 16 HE1 TYR 16 4.943 4.037 2.035 119 HE2 TYR 16 HE2 TYR 16 5.673 0.758 4.664 120 HH TYR 16 HH TYR 16 7.307 1.927 3.477 121 H THR 17 HN THR 17 2.388 -0.627 0.657 122 HA THR 17 HA THR 17 3.789 -2.366 2.512 123 HB THR 17 HB THR 17 3.370 -4.382 1.104 124 HG1 THR 17 HG1 THR 17 1.598 -4.285 -0.330 125 1HG2 THR 17 HG21 THR 17 1.924 -3.659 3.153 126 2HG2 THR 17 HG22 THR 17 1.431 -5.012 2.134 127 3HG2 THR 17 HG23 THR 17 0.677 -3.431 1.927 128 H THR 18 HN THR 18 5.138 -0.435 1.554 129 HA THR 18 HA THR 18 6.393 -1.232 -0.971 130 HB THR 18 HB THR 18 5.562 1.118 -0.666 131 HG1 THR 18 HG1 THR 18 7.217 1.924 -1.789 132 1HG2 THR 18 HG21 THR 18 6.238 2.501 0.925 133 2HG2 THR 18 HG22 THR 18 7.920 1.986 0.783 134 3HG2 THR 18 HG23 THR 18 6.791 1.055 1.768 135 H LYS 19 HN LYS 19 7.009 -2.945 1.004 136 HA LYS 19 HA LYS 19 9.810 -2.275 1.584 137 1HB LYS 19 HB2 LYS 19 8.560 -1.985 3.658 138 2HB LYS 19 HB1 LYS 19 7.866 -3.592 3.490 139 1HG LYS 19 HG2 LYS 19 9.550 -4.399 4.672 140 2HG LYS 19 HG1 LYS 19 10.649 -3.932 3.373 141 1HD LYS 19 HD2 LYS 19 11.286 -1.987 4.428 142 2HD LYS 19 HD1 LYS 19 9.784 -1.870 5.349 143 1HE LYS 19 HE2 LYS 19 10.493 -3.773 6.726 144 2HE LYS 19 HE1 LYS 19 12.000 -3.865 5.814 145 1HZ LYS 19 HZ1 LYS 19 12.730 -2.572 7.487 146 2HZ LYS 19 HZ2 LYS 19 11.192 -1.985 7.875 147 3HZ LYS 19 HZ3 LYS 19 12.046 -1.321 6.575 Start of MODEL 22 1 1H ARG 4 HT1 ARG 4 8.861 -2.418 -6.092 2 2H ARG 4 HT2 ARG 4 9.185 -2.801 -7.734 3 3H ARG 4 HT3 ARG 4 8.711 -4.035 -6.639 4 HA ARG 4 HA ARG 4 7.051 -1.724 -7.380 5 1HB ARG 4 HB2 ARG 4 7.776 -3.961 -8.922 6 2HB ARG 4 HB1 ARG 4 6.155 -4.304 -8.335 7 1HG ARG 4 HG2 ARG 4 5.947 -3.227 -10.439 8 2HG ARG 4 HG1 ARG 4 5.453 -2.069 -9.202 9 1HD ARG 4 HD2 ARG 4 8.244 -1.770 -9.587 10 2HD ARG 4 HD1 ARG 4 7.491 -1.819 -11.181 11 HE ARG 4 HE ARG 4 7.242 0.257 -9.207 12 1HH1 ARG 4 HH11 ARG 4 5.787 -1.230 -12.009 13 2HH1 ARG 4 HH12 ARG 4 4.885 0.182 -12.444 14 1HH2 ARG 4 HH21 ARG 4 6.055 2.115 -9.777 15 2HH2 ARG 4 HH22 ARG 4 5.037 2.082 -11.177 16 H LYS 5 HN LYS 5 7.368 -2.267 -4.768 17 HA LYS 5 HA LYS 5 5.893 -4.277 -3.591 18 1HB LYS 5 HB2 LYS 5 5.592 -2.608 -1.684 19 2HB LYS 5 HB1 LYS 5 7.225 -3.050 -2.146 20 1HG LYS 5 HG2 LYS 5 7.388 -0.793 -1.895 21 2HG LYS 5 HG1 LYS 5 7.100 -0.919 -3.625 22 1HD LYS 5 HD2 LYS 5 5.740 0.844 -2.644 23 2HD LYS 5 HD1 LYS 5 4.727 -0.467 -3.253 24 1HE LYS 5 HE2 LYS 5 4.015 -1.051 -1.190 25 2HE LYS 5 HE1 LYS 5 5.570 -0.704 -0.445 26 1HZ LYS 5 HZ1 LYS 5 4.731 1.746 -1.112 27 2HZ LYS 5 HZ2 LYS 5 4.490 1.041 0.405 28 3HZ LYS 5 HZ3 LYS 5 3.257 0.996 -0.752 29 H ARG 6 HN ARG 6 3.906 -3.339 -1.994 30 HA ARG 6 HA ARG 6 1.823 -2.672 -3.964 31 1HB ARG 6 HB2 ARG 6 1.726 -4.865 -2.688 32 2HB ARG 6 HB1 ARG 6 1.386 -3.904 -1.246 33 1HG ARG 6 HG2 ARG 6 -0.667 -3.137 -2.127 34 2HG ARG 6 HG1 ARG 6 -0.280 -3.739 -3.744 35 1HD ARG 6 HD2 ARG 6 -0.516 -5.992 -3.060 36 2HD ARG 6 HD1 ARG 6 -0.541 -5.548 -1.355 37 HE ARG 6 HE ARG 6 -2.751 -5.514 -3.189 38 1HH1 ARG 6 HH11 ARG 6 -1.473 -4.165 -0.235 39 2HH1 ARG 6 HH12 ARG 6 -3.032 -3.751 0.397 40 1HH2 ARG 6 HH21 ARG 6 -4.801 -4.974 -2.359 41 2HH2 ARG 6 HH22 ARG 6 -4.922 -4.212 -0.808 42 H ILE 7 HN ILE 7 1.023 -0.696 -3.916 43 HA ILE 7 HA ILE 7 0.852 0.709 -1.328 44 HB ILE 7 HB ILE 7 1.182 2.249 -3.874 45 1HG1 ILE 7 HG12 ILE 7 3.714 2.156 -2.660 46 2HG1 ILE 7 HG11 ILE 7 3.164 0.482 -2.733 47 1HG2 ILE 7 HG21 ILE 7 0.811 3.813 -2.310 48 2HG2 ILE 7 HG22 ILE 7 2.514 3.571 -1.922 49 3HG2 ILE 7 HG23 ILE 7 1.269 2.744 -0.985 50 1HD1 ILE 7 HD11 ILE 7 4.267 2.072 -4.792 51 2HD1 ILE 7 HD12 ILE 7 2.600 1.698 -5.229 52 3HD1 ILE 7 HD13 ILE 7 3.729 0.394 -4.864 53 H HIS 8 HN HIS 8 -1.248 0.840 -0.816 54 HA HIS 8 HA HIS 8 -3.122 1.774 -2.866 55 1HB HIS 8 HB2 HIS 8 -3.394 -0.709 -1.193 56 2HB HIS 8 HB1 HIS 8 -4.821 0.137 -1.801 57 HD1 HIS 8 HD1 HIS 8 -4.665 0.540 -4.561 58 HD2 HIS 8 HD2 HIS 8 -2.501 -2.594 -2.902 59 HE1 HIS 8 HE1 HIS 8 -4.171 -1.020 -6.470 60 HE2 HIS 8 HE2 HIS 8 -2.771 -2.856 -5.460 61 H ILE 9 HN ILE 9 -4.358 3.393 -2.176 62 HA ILE 9 HA ILE 9 -4.773 3.713 0.722 63 HB ILE 9 HB ILE 9 -4.322 6.009 -1.181 64 1HG1 ILE 9 HG12 ILE 9 -2.149 6.177 0.278 65 2HG1 ILE 9 HG11 ILE 9 -2.419 4.453 0.539 66 1HG2 ILE 9 HG21 ILE 9 -5.680 6.209 1.019 67 2HG2 ILE 9 HG22 ILE 9 -4.444 7.412 0.652 68 3HG2 ILE 9 HG23 ILE 9 -4.101 6.116 1.797 69 1HD1 ILE 9 HD11 ILE 9 -1.417 5.864 -1.802 70 2HD1 ILE 9 HD12 ILE 9 -2.673 4.682 -2.172 71 3HD1 ILE 9 HD13 ILE 9 -1.217 4.181 -1.313 72 H GLY 10 HN GLY 10 -6.878 3.207 0.933 73 1HA GLY 10 HA2 GLY 10 -8.792 4.337 -0.999 74 2HA GLY 10 HA1 GLY 10 -9.101 2.965 0.058 75 HA PRO 11 HA PRO 11 -11.270 6.514 2.022 76 1HB PRO 11 HB2 PRO 11 -12.914 4.325 3.117 77 2HB PRO 11 HB1 PRO 11 -13.412 5.759 2.212 78 1HG PRO 11 HG2 PRO 11 -13.489 3.310 1.119 79 2HG PRO 11 HG1 PRO 11 -13.077 4.746 0.163 80 1HD PRO 11 HD2 PRO 11 -11.268 2.656 1.323 81 2HD PRO 11 HD1 PRO 11 -11.208 3.438 -0.272 82 H GLY 12 HN GLY 12 -8.993 6.172 3.142 83 1HA GLY 12 HA2 GLY 12 -8.034 6.387 5.247 84 2HA GLY 12 HA1 GLY 12 -9.561 5.884 5.960 85 H ARG 13 HN ARG 13 -8.247 3.925 3.458 86 HA ARG 13 HA ARG 13 -7.470 1.916 5.460 87 1HB ARG 13 HB2 ARG 13 -7.799 0.670 2.935 88 2HB ARG 13 HB1 ARG 13 -8.791 0.481 4.376 89 1HG ARG 13 HG2 ARG 13 -9.229 2.693 2.385 90 2HG ARG 13 HG1 ARG 13 -9.995 1.107 2.248 91 1HD ARG 13 HD2 ARG 13 -10.206 2.855 4.693 92 2HD ARG 13 HD1 ARG 13 -11.374 2.887 3.370 93 HE ARG 13 HE ARG 13 -10.954 0.721 5.289 94 1HH1 ARG 13 HH11 ARG 13 -12.679 1.941 2.500 95 2HH1 ARG 13 HH12 ARG 13 -13.957 0.784 2.636 96 1HH2 ARG 13 HH21 ARG 13 -12.636 -0.797 5.457 97 2HH2 ARG 13 HH22 ARG 13 -13.935 -0.769 4.310 98 H ALA 14 HN ALA 14 -5.367 2.954 5.542 99 HA ALA 14 HA ALA 14 -3.665 3.205 3.323 100 1HB ALA 14 HB1 ALA 14 -2.863 2.743 6.192 101 2HB ALA 14 HB2 ALA 14 -3.300 4.307 5.504 102 3HB ALA 14 HB3 ALA 14 -1.872 3.452 4.918 103 H PHE 15 HN PHE 15 -3.113 1.589 2.020 104 HA PHE 15 HA PHE 15 -2.403 -1.006 3.223 105 1HB PHE 15 HB2 PHE 15 -3.820 -0.291 0.693 106 2HB PHE 15 HB1 PHE 15 -2.812 -1.734 0.701 107 HD1 PHE 15 HD1 PHE 15 -6.042 -0.768 0.923 108 HD2 PHE 15 HD2 PHE 15 -3.210 -3.066 3.116 109 HE1 PHE 15 HE1 PHE 15 -7.879 -2.036 1.957 110 HE2 PHE 15 HE2 PHE 15 -5.043 -4.339 4.155 111 HZ PHE 15 HZ PHE 15 -7.381 -3.826 3.575 112 H TYR 16 HN TYR 16 -0.523 0.983 3.215 113 HA TYR 16 HA TYR 16 1.202 0.620 0.898 114 1HB TYR 16 HB2 TYR 16 0.977 2.861 1.836 115 2HB TYR 16 HB1 TYR 16 1.524 2.284 3.405 116 HD1 TYR 16 HD1 TYR 16 3.912 1.369 3.560 117 HD2 TYR 16 HD2 TYR 16 2.504 3.653 0.261 118 HE1 TYR 16 HE1 TYR 16 6.233 1.902 2.947 119 HE2 TYR 16 HE2 TYR 16 4.818 4.189 -0.367 120 HH TYR 16 HH TYR 16 7.160 3.009 0.042 121 H THR 17 HN THR 17 2.704 -0.927 0.802 122 HA THR 17 HA THR 17 4.122 -1.739 3.205 123 HB THR 17 HB THR 17 2.260 -3.265 3.273 124 HG1 THR 17 HG1 THR 17 3.471 -4.977 3.521 125 1HG2 THR 17 HG21 THR 17 1.988 -3.016 0.628 126 2HG2 THR 17 HG22 THR 17 1.320 -4.362 1.550 127 3HG2 THR 17 HG23 THR 17 2.848 -4.554 0.692 128 H THR 18 HN THR 18 6.142 -1.408 2.560 129 HA THR 18 HA THR 18 6.920 -2.068 -0.177 130 HB THR 18 HB THR 18 8.886 -0.743 0.207 131 HG1 THR 18 HG1 THR 18 8.071 -0.748 2.918 132 1HG2 THR 18 HG21 THR 18 6.290 0.401 0.998 133 2HG2 THR 18 HG22 THR 18 7.419 0.894 -0.264 134 3HG2 THR 18 HG23 THR 18 7.724 1.339 1.415 135 H LYS 19 HN LYS 19 6.394 -4.295 1.336 136 HA LYS 19 HA LYS 19 7.246 -6.227 2.204 137 1HB LYS 19 HB2 LYS 19 8.943 -7.247 0.858 138 2HB LYS 19 HB1 LYS 19 7.914 -6.293 -0.198 139 1HG LYS 19 HG2 LYS 19 10.342 -4.970 0.855 140 2HG LYS 19 HG1 LYS 19 10.571 -6.251 -0.334 141 1HD LYS 19 HD2 LYS 19 8.467 -4.284 -0.963 142 2HD LYS 19 HD1 LYS 19 10.121 -3.667 -0.973 143 1HE LYS 19 HE2 LYS 19 10.621 -5.781 -2.397 144 2HE LYS 19 HE1 LYS 19 8.879 -5.795 -2.671 145 1HZ LYS 19 HZ1 LYS 19 10.455 -4.516 -4.276 146 2HZ LYS 19 HZ2 LYS 19 10.366 -3.300 -3.103 147 3HZ LYS 19 HZ3 LYS 19 8.956 -3.855 -3.855 Start of MODEL 23 1 1H ARG 4 HT1 ARG 4 6.922 -4.697 -9.042 2 2H ARG 4 HT2 ARG 4 5.488 -3.841 -8.648 3 3H ARG 4 HT3 ARG 4 5.965 -5.198 -7.710 4 HA ARG 4 HA ARG 4 8.047 -3.929 -7.222 5 1HB ARG 4 HB2 ARG 4 6.292 -1.597 -7.990 6 2HB ARG 4 HB1 ARG 4 7.992 -1.571 -7.542 7 1HG ARG 4 HG2 ARG 4 8.386 -2.968 -9.643 8 2HG ARG 4 HG1 ARG 4 6.746 -2.502 -10.103 9 1HD ARG 4 HD2 ARG 4 9.152 -0.753 -9.694 10 2HD ARG 4 HD1 ARG 4 8.137 -0.911 -11.126 11 HE ARG 4 HE ARG 4 6.416 0.043 -9.285 12 1HH1 ARG 4 HH11 ARG 4 9.586 1.084 -10.311 13 2HH1 ARG 4 HH12 ARG 4 9.287 2.753 -9.960 14 1HH2 ARG 4 HH21 ARG 4 6.023 2.239 -8.823 15 2HH2 ARG 4 HH22 ARG 4 7.266 3.409 -9.116 16 H LYS 5 HN LYS 5 7.488 -1.714 -5.626 17 HA LYS 5 HA LYS 5 6.567 -2.759 -3.282 18 1HB LYS 5 HB2 LYS 5 7.596 -0.394 -4.004 19 2HB LYS 5 HB1 LYS 5 5.921 0.088 -3.766 20 1HG LYS 5 HG2 LYS 5 7.074 -1.570 -1.636 21 2HG LYS 5 HG1 LYS 5 7.772 0.040 -1.814 22 1HD LYS 5 HD2 LYS 5 4.813 -0.263 -1.827 23 2HD LYS 5 HD1 LYS 5 5.670 -0.370 -0.295 24 1HE LYS 5 HE2 LYS 5 4.779 1.924 -1.137 25 2HE LYS 5 HE1 LYS 5 6.354 1.821 -0.363 26 1HZ LYS 5 HZ1 LYS 5 6.443 3.176 -2.351 27 2HZ LYS 5 HZ2 LYS 5 5.867 1.897 -3.291 28 3HZ LYS 5 HZ3 LYS 5 7.383 1.786 -2.554 29 H ARG 6 HN ARG 6 4.640 -2.887 -2.186 30 HA ARG 6 HA ARG 6 2.246 -2.771 -3.845 31 1HB ARG 6 HB2 ARG 6 3.062 -4.188 -1.375 32 2HB ARG 6 HB1 ARG 6 1.359 -3.735 -1.482 33 1HG ARG 6 HG2 ARG 6 1.798 -4.820 -3.943 34 2HG ARG 6 HG1 ARG 6 2.861 -5.793 -2.919 35 1HD ARG 6 HD2 ARG 6 0.997 -6.311 -1.446 36 2HD ARG 6 HD1 ARG 6 -0.071 -5.293 -2.411 37 HE ARG 6 HE ARG 6 1.195 -7.387 -3.917 38 1HH1 ARG 6 HH11 ARG 6 -1.520 -6.571 -1.883 39 2HH1 ARG 6 HH12 ARG 6 -2.532 -7.825 -2.518 40 1HH2 ARG 6 HH21 ARG 6 -0.134 -9.037 -4.754 41 2HH2 ARG 6 HH22 ARG 6 -1.746 -9.225 -4.147 42 H ILE 7 HN ILE 7 1.924 -0.523 -3.946 43 HA ILE 7 HA ILE 7 1.268 0.791 -1.395 44 HB ILE 7 HB ILE 7 1.506 2.312 -3.958 45 1HG1 ILE 7 HG12 ILE 7 4.017 2.498 -2.748 46 2HG1 ILE 7 HG11 ILE 7 3.638 0.776 -2.717 47 1HG2 ILE 7 HG21 ILE 7 1.056 2.957 -1.281 48 2HG2 ILE 7 HG22 ILE 7 1.386 4.070 -2.608 49 3HG2 ILE 7 HG23 ILE 7 2.711 3.469 -1.612 50 1HD1 ILE 7 HD11 ILE 7 2.957 1.742 -5.281 51 2HD1 ILE 7 HD12 ILE 7 4.248 0.627 -4.832 52 3HD1 ILE 7 HD13 ILE 7 4.559 2.361 -4.882 53 H HIS 8 HN HIS 8 -0.814 1.074 -0.928 54 HA HIS 8 HA HIS 8 -2.729 1.676 -3.030 55 1HB HIS 8 HB2 HIS 8 -3.374 -0.566 -1.123 56 2HB HIS 8 HB1 HIS 8 -4.210 -0.113 -2.612 57 HD1 HIS 8 HD1 HIS 8 -3.225 -0.974 -4.830 58 HD2 HIS 8 HD2 HIS 8 -1.095 -2.166 -1.468 59 HE1 HIS 8 HE1 HIS 8 -1.659 -2.772 -5.629 60 HE2 HIS 8 HE2 HIS 8 -0.320 -3.416 -3.595 61 H ILE 9 HN ILE 9 -4.110 3.198 -2.353 62 HA ILE 9 HA ILE 9 -4.500 3.516 0.551 63 HB ILE 9 HB ILE 9 -4.500 5.824 -1.381 64 1HG1 ILE 9 HG12 ILE 9 -2.277 4.719 -1.396 65 2HG1 ILE 9 HG11 ILE 9 -2.223 6.331 -0.682 66 1HG2 ILE 9 HG21 ILE 9 -3.922 6.968 0.885 67 2HG2 ILE 9 HG22 ILE 9 -4.597 5.496 1.585 68 3HG2 ILE 9 HG23 ILE 9 -5.588 6.508 0.534 69 1HD1 ILE 9 HD11 ILE 9 -2.650 4.115 1.203 70 2HD1 ILE 9 HD12 ILE 9 -1.638 5.552 1.341 71 3HD1 ILE 9 HD13 ILE 9 -1.078 4.163 0.408 72 H GLY 10 HN GLY 10 -6.541 3.994 1.274 73 1HA GLY 10 HA2 GLY 10 -8.655 4.339 -0.744 74 2HA GLY 10 HA1 GLY 10 -8.787 3.027 0.422 75 HA PRO 11 HA PRO 11 -11.046 6.667 2.195 76 1HB PRO 11 HB2 PRO 11 -12.784 4.533 3.244 77 2HB PRO 11 HB1 PRO 11 -13.205 5.961 2.298 78 1HG PRO 11 HG2 PRO 11 -13.298 3.496 1.244 79 2HG PRO 11 HG1 PRO 11 -12.827 4.909 0.282 80 1HD PRO 11 HD2 PRO 11 -11.097 2.803 1.529 81 2HD PRO 11 HD1 PRO 11 -10.970 3.564 -0.071 82 H GLY 12 HN GLY 12 -8.806 6.239 3.400 83 1HA GLY 12 HA2 GLY 12 -7.960 6.482 5.560 84 2HA GLY 12 HA1 GLY 12 -9.511 5.957 6.199 85 H ARG 13 HN ARG 13 -8.769 3.773 3.891 86 HA ARG 13 HA ARG 13 -7.536 1.950 5.839 87 1HB ARG 13 HB2 ARG 13 -8.431 0.255 3.970 88 2HB ARG 13 HB1 ARG 13 -9.436 0.811 5.303 89 1HG ARG 13 HG2 ARG 13 -9.435 2.366 2.756 90 2HG ARG 13 HG1 ARG 13 -10.325 0.842 2.841 91 1HD ARG 13 HD2 ARG 13 -10.679 2.869 4.999 92 2HD ARG 13 HD1 ARG 13 -11.481 3.109 3.447 93 HE ARG 13 HE ARG 13 -12.786 1.199 3.842 94 1HH1 ARG 13 HH11 ARG 13 -10.611 1.855 6.502 95 2HH1 ARG 13 HH12 ARG 13 -11.463 0.831 7.606 96 1HH2 ARG 13 HH21 ARG 13 -13.896 -0.146 5.299 97 2HH2 ARG 13 HH22 ARG 13 -13.323 -0.305 6.926 98 H ALA 14 HN ALA 14 -5.647 3.414 4.902 99 HA ALA 14 HA ALA 14 -4.591 2.857 2.366 100 1HB ALA 14 HB1 ALA 14 -2.481 3.763 3.263 101 2HB ALA 14 HB2 ALA 14 -3.186 3.742 4.880 102 3HB ALA 14 HB3 ALA 14 -3.873 4.781 3.631 103 H PHE 15 HN PHE 15 -3.818 1.032 1.579 104 HA PHE 15 HA PHE 15 -2.726 -0.969 3.434 105 1HB PHE 15 HB2 PHE 15 -3.410 -1.586 0.580 106 2HB PHE 15 HB1 PHE 15 -3.394 -2.658 1.975 107 HD1 PHE 15 HD1 PHE 15 -5.387 -0.608 -0.149 108 HD2 PHE 15 HD2 PHE 15 -5.212 -2.345 3.732 109 HE1 PHE 15 HE1 PHE 15 -7.821 -0.330 0.081 110 HE2 PHE 15 HE2 PHE 15 -7.645 -2.072 3.968 111 HZ PHE 15 HZ PHE 15 -8.953 -1.063 2.140 112 H TYR 16 HN TYR 16 -0.887 0.759 3.233 113 HA TYR 16 HA TYR 16 0.775 0.377 0.876 114 1HB TYR 16 HB2 TYR 16 0.666 2.622 1.646 115 2HB TYR 16 HB1 TYR 16 0.970 2.149 3.311 116 HD1 TYR 16 HD1 TYR 16 2.395 3.423 0.344 117 HD2 TYR 16 HD2 TYR 16 3.315 1.084 3.775 118 HE1 TYR 16 HE1 TYR 16 4.782 3.909 0.025 119 HE2 TYR 16 HE2 TYR 16 5.708 1.561 3.465 120 HH TYR 16 HH TYR 16 6.837 3.951 1.284 121 H THR 17 HN THR 17 2.278 -1.143 0.750 122 HA THR 17 HA THR 17 3.630 -2.045 3.188 123 HB THR 17 HB THR 17 3.336 -4.357 2.683 124 HG1 THR 17 HG1 THR 17 3.167 -4.898 0.680 125 1HG2 THR 17 HG21 THR 17 1.168 -4.660 3.217 126 2HG2 THR 17 HG22 THR 17 0.589 -3.547 1.979 127 3HG2 THR 17 HG23 THR 17 1.247 -2.920 3.490 128 H THR 18 HN THR 18 5.744 -1.903 2.913 129 HA THR 18 HA THR 18 6.805 -1.765 0.200 130 HB THR 18 HB THR 18 8.943 -1.111 1.593 131 HG1 THR 18 HG1 THR 18 7.502 -1.623 3.578 132 1HG2 THR 18 HG21 THR 18 6.532 0.619 1.173 133 2HG2 THR 18 HG22 THR 18 8.002 0.522 0.203 134 3HG2 THR 18 HG23 THR 18 8.054 1.244 1.811 135 H LYS 19 HN LYS 19 8.731 -2.828 2.951 136 HA LYS 19 HA LYS 19 9.517 -5.182 1.450 137 1HB LYS 19 HB2 LYS 19 11.229 -3.800 2.557 138 2HB LYS 19 HB1 LYS 19 10.492 -4.141 4.117 139 1HG LYS 19 HG2 LYS 19 11.315 -6.258 4.202 140 2HG LYS 19 HG1 LYS 19 11.311 -6.450 2.448 141 1HD LYS 19 HD2 LYS 19 13.590 -6.354 3.225 142 2HD LYS 19 HD1 LYS 19 13.228 -4.884 2.318 143 1HE LYS 19 HE2 LYS 19 12.589 -3.998 4.730 144 2HE LYS 19 HE1 LYS 19 13.712 -5.261 5.227 145 1HZ LYS 19 HZ1 LYS 19 14.962 -3.925 3.169 146 2HZ LYS 19 HZ2 LYS 19 15.329 -3.821 4.816 147 3HZ LYS 19 HZ3 LYS 19 14.265 -2.708 4.116 Start of MODEL 24 1 1H ARG 4 HT1 ARG 4 5.222 -0.976 -9.746 2 2H ARG 4 HT2 ARG 4 3.803 -0.982 -8.783 3 3H ARG 4 HT3 ARG 4 4.711 -2.423 -8.986 4 HA ARG 4 HA ARG 4 6.607 -1.090 -7.985 5 1HB ARG 4 HB2 ARG 4 4.193 0.396 -6.929 6 2HB ARG 4 HB1 ARG 4 5.867 0.664 -6.467 7 1HG ARG 4 HG2 ARG 4 6.338 1.857 -8.326 8 2HG ARG 4 HG1 ARG 4 5.235 0.925 -9.339 9 1HD ARG 4 HD2 ARG 4 3.876 2.690 -9.228 10 2HD ARG 4 HD1 ARG 4 3.544 2.184 -7.573 11 HE ARG 4 HE ARG 4 4.754 3.975 -6.814 12 1HH1 ARG 4 HH11 ARG 4 5.422 3.510 -10.209 13 2HH1 ARG 4 HH12 ARG 4 6.304 4.992 -10.365 14 1HH2 ARG 4 HH21 ARG 4 5.916 5.926 -7.020 15 2HH2 ARG 4 HH22 ARG 4 6.586 6.363 -8.556 16 H LYS 5 HN LYS 5 6.216 -0.814 -5.281 17 HA LYS 5 HA LYS 5 6.001 -3.474 -4.422 18 1HB LYS 5 HB2 LYS 5 6.838 -1.036 -3.335 19 2HB LYS 5 HB1 LYS 5 5.527 -1.554 -2.291 20 1HG LYS 5 HG2 LYS 5 8.224 -2.688 -2.662 21 2HG LYS 5 HG1 LYS 5 7.220 -2.576 -1.219 22 1HD LYS 5 HD2 LYS 5 5.771 -4.375 -2.453 23 2HD LYS 5 HD1 LYS 5 7.263 -4.668 -3.345 24 1HE LYS 5 HE2 LYS 5 8.379 -4.832 -1.047 25 2HE LYS 5 HE1 LYS 5 6.742 -4.968 -0.405 26 1HZ LYS 5 HZ1 LYS 5 6.468 -6.842 -2.069 27 2HZ LYS 5 HZ2 LYS 5 7.454 -7.152 -0.731 28 3HZ LYS 5 HZ3 LYS 5 8.151 -6.815 -2.234 29 H ARG 6 HN ARG 6 4.448 -3.102 -1.975 30 HA ARG 6 HA ARG 6 1.804 -3.519 -3.137 31 1HB ARG 6 HB2 ARG 6 2.943 -5.101 -1.447 32 2HB ARG 6 HB1 ARG 6 2.531 -3.882 -0.238 33 1HG ARG 6 HG2 ARG 6 0.675 -5.135 -0.029 34 2HG ARG 6 HG1 ARG 6 0.138 -4.178 -1.416 35 1HD ARG 6 HD2 ARG 6 1.176 -6.009 -2.859 36 2HD ARG 6 HD1 ARG 6 1.245 -6.971 -1.383 37 HE ARG 6 HE ARG 6 -1.356 -5.987 -1.665 38 1HH1 ARG 6 HH11 ARG 6 0.812 -8.217 -3.249 39 2HH1 ARG 6 HH12 ARG 6 -0.462 -9.221 -3.855 40 1HH2 ARG 6 HH21 ARG 6 -3.034 -7.307 -2.462 41 2HH2 ARG 6 HH22 ARG 6 -2.645 -8.704 -3.408 42 H ILE 7 HN ILE 7 2.409 -0.934 -3.359 43 HA ILE 7 HA ILE 7 1.409 0.519 -1.046 44 HB ILE 7 HB ILE 7 2.080 1.751 -3.706 45 1HG1 ILE 7 HG12 ILE 7 4.107 1.447 -1.502 46 2HG1 ILE 7 HG11 ILE 7 3.926 0.198 -2.738 47 1HG2 ILE 7 HG21 ILE 7 2.093 3.734 -2.615 48 2HG2 ILE 7 HG22 ILE 7 2.698 3.032 -1.115 49 3HG2 ILE 7 HG23 ILE 7 0.994 2.869 -1.541 50 1HD1 ILE 7 HD11 ILE 7 4.126 2.374 -4.297 51 2HD1 ILE 7 HD12 ILE 7 5.504 1.405 -3.776 52 3HD1 ILE 7 HD13 ILE 7 5.094 2.889 -2.916 53 H HIS 8 HN HIS 8 -0.712 0.618 -0.769 54 HA HIS 8 HA HIS 8 -2.398 1.505 -2.959 55 1HB HIS 8 HB2 HIS 8 -2.375 -1.244 -1.985 56 2HB HIS 8 HB1 HIS 8 -3.972 -0.501 -1.849 57 HD1 HIS 8 HD1 HIS 8 -4.408 -2.465 -3.731 58 HD2 HIS 8 HD2 HIS 8 -2.258 0.888 -4.917 59 HE1 HIS 8 HE1 HIS 8 -4.523 -2.447 -6.243 60 HE2 HIS 8 HE2 HIS 8 -3.144 -0.458 -6.941 61 H ILE 9 HN ILE 9 -3.819 2.967 -2.245 62 HA ILE 9 HA ILE 9 -4.522 2.938 0.618 63 HB ILE 9 HB ILE 9 -4.217 5.466 -0.990 64 1HG1 ILE 9 HG12 ILE 9 -2.030 4.413 -0.928 65 2HG1 ILE 9 HG11 ILE 9 -2.051 5.774 0.194 66 1HG2 ILE 9 HG21 ILE 9 -4.650 4.807 1.898 67 2HG2 ILE 9 HG22 ILE 9 -5.552 5.910 0.858 68 3HG2 ILE 9 HG23 ILE 9 -3.936 6.346 1.417 69 1HD1 ILE 9 HD11 ILE 9 -1.596 2.954 0.690 70 2HD1 ILE 9 HD12 ILE 9 -2.805 3.651 1.768 71 3HD1 ILE 9 HD13 ILE 9 -1.193 4.361 1.674 72 H GLY 10 HN GLY 10 -6.619 3.403 1.160 73 1HA GLY 10 HA2 GLY 10 -8.489 3.710 -1.109 74 2HA GLY 10 HA1 GLY 10 -8.852 2.779 0.339 75 HA PRO 11 HA PRO 11 -10.667 6.958 0.999 76 1HB PRO 11 HB2 PRO 11 -13.049 6.103 1.966 77 2HB PRO 11 HB1 PRO 11 -12.719 6.276 0.240 78 1HG PRO 11 HG2 PRO 11 -12.820 3.819 1.905 79 2HG PRO 11 HG1 PRO 11 -13.300 4.058 0.220 80 1HD PRO 11 HD2 PRO 11 -10.925 2.892 1.051 81 2HD PRO 11 HD1 PRO 11 -11.213 3.590 -0.553 82 H GLY 12 HN GLY 12 -8.818 6.607 2.630 83 1HA GLY 12 HA2 GLY 12 -8.350 7.219 4.847 84 2HA GLY 12 HA1 GLY 12 -9.992 6.770 5.294 85 H ARG 13 HN ARG 13 -8.495 4.454 3.349 86 HA ARG 13 HA ARG 13 -7.686 2.867 5.688 87 1HB ARG 13 HB2 ARG 13 -8.440 0.963 3.883 88 2HB ARG 13 HB1 ARG 13 -9.457 1.561 5.190 89 1HG ARG 13 HG2 ARG 13 -9.475 2.910 2.514 90 2HG ARG 13 HG1 ARG 13 -10.418 1.441 2.796 91 1HD ARG 13 HD2 ARG 13 -10.602 3.805 4.634 92 2HD ARG 13 HD1 ARG 13 -11.556 3.711 3.155 93 HE ARG 13 HE ARG 13 -12.071 2.362 5.590 94 1HH1 ARG 13 HH11 ARG 13 -12.234 1.927 2.132 95 2HH1 ARG 13 HH12 ARG 13 -13.528 0.779 2.212 96 1HH2 ARG 13 HH21 ARG 13 -13.773 0.856 5.698 97 2HH2 ARG 13 HH22 ARG 13 -14.403 0.170 4.238 98 H ALA 14 HN ALA 14 -5.503 3.421 5.352 99 HA ALA 14 HA ALA 14 -4.276 2.792 2.798 100 1HB ALA 14 HB1 ALA 14 -2.195 3.609 3.902 101 2HB ALA 14 HB2 ALA 14 -3.145 3.904 5.358 102 3HB ALA 14 HB3 ALA 14 -3.509 4.784 3.874 103 H PHE 15 HN PHE 15 -3.359 0.919 2.310 104 HA PHE 15 HA PHE 15 -2.396 -0.811 4.476 105 1HB PHE 15 HB2 PHE 15 -3.265 -2.644 2.626 106 2HB PHE 15 HB1 PHE 15 -4.135 -2.190 4.085 107 HD1 PHE 15 HD1 PHE 15 -6.355 -1.723 3.821 108 HD2 PHE 15 HD2 PHE 15 -3.690 -0.889 0.611 109 HE1 PHE 15 HE1 PHE 15 -8.250 -0.956 2.453 110 HE2 PHE 15 HE2 PHE 15 -5.580 -0.118 -0.762 111 HZ PHE 15 HZ PHE 15 -7.864 -0.152 0.158 112 H TYR 16 HN TYR 16 -0.558 0.609 3.436 113 HA TYR 16 HA TYR 16 0.557 -0.604 1.039 114 1HB TYR 16 HB2 TYR 16 1.082 1.585 0.811 115 2HB TYR 16 HB1 TYR 16 0.923 1.901 2.532 116 HD1 TYR 16 HD1 TYR 16 3.235 0.493 -0.011 117 HD2 TYR 16 HD2 TYR 16 2.828 2.200 3.862 118 HE1 TYR 16 HE1 TYR 16 5.682 0.654 0.167 119 HE2 TYR 16 HE2 TYR 16 5.273 2.365 4.054 120 HH TYR 16 HH TYR 16 7.325 2.245 1.589 121 H THR 17 HN THR 17 2.540 -1.702 0.963 122 HA THR 17 HA THR 17 3.924 -2.261 3.454 123 HB THR 17 HB THR 17 3.763 -4.811 2.593 124 HG1 THR 17 HG1 THR 17 2.137 -5.076 1.322 125 1HG2 THR 17 HG21 THR 17 1.392 -4.283 4.136 126 2HG2 THR 17 HG22 THR 17 2.780 -3.404 4.774 127 3HG2 THR 17 HG23 THR 17 2.858 -5.155 4.581 128 H THR 18 HN THR 18 6.039 -2.798 3.191 129 HA THR 18 HA THR 18 7.008 -3.204 0.449 130 HB THR 18 HB THR 18 9.083 -1.850 1.500 131 HG1 THR 18 HG1 THR 18 8.526 -0.631 3.099 132 1HG2 THR 18 HG21 THR 18 6.757 -0.992 -0.092 133 2HG2 THR 18 HG22 THR 18 8.481 -0.911 -0.454 134 3HG2 THR 18 HG23 THR 18 7.749 0.283 0.615 135 H LYS 19 HN LYS 19 9.618 -3.595 0.803 136 HA LYS 19 HA LYS 19 9.713 -6.150 2.098 137 1HB LYS 19 HB2 LYS 19 11.046 -5.047 -0.008 138 2HB LYS 19 HB1 LYS 19 12.261 -4.926 1.257 139 1HG LYS 19 HG2 LYS 19 11.519 -7.457 1.643 140 2HG LYS 19 HG1 LYS 19 11.134 -7.312 -0.073 141 1HD LYS 19 HD2 LYS 19 13.796 -6.551 1.120 142 2HD LYS 19 HD1 LYS 19 13.450 -8.135 0.423 143 1HE LYS 19 HE2 LYS 19 12.600 -6.476 -1.557 144 2HE LYS 19 HE1 LYS 19 13.949 -5.557 -0.889 145 1HZ LYS 19 HZ1 LYS 19 15.035 -7.976 -1.052 146 2HZ LYS 19 HZ2 LYS 19 15.123 -6.836 -2.297 147 3HZ LYS 19 HZ3 LYS 19 13.959 -8.062 -2.355 Start of MODEL 25 1 1H ARG 4 HT1 ARG 4 8.064 -2.907 -8.308 2 2H ARG 4 HT2 ARG 4 7.911 -1.776 -7.027 3 3H ARG 4 HT3 ARG 4 7.895 -1.237 -8.654 4 HA ARG 4 HA ARG 4 5.718 -1.186 -8.173 5 1HB ARG 4 HB2 ARG 4 6.638 -3.677 -9.477 6 2HB ARG 4 HB1 ARG 4 4.956 -3.673 -8.963 7 1HG ARG 4 HG2 ARG 4 4.852 -2.902 -11.143 8 2HG ARG 4 HG1 ARG 4 4.805 -1.418 -10.190 9 1HD ARG 4 HD2 ARG 4 7.476 -1.729 -10.528 10 2HD ARG 4 HD1 ARG 4 6.869 -2.430 -12.027 11 HE ARG 4 HE ARG 4 6.794 0.343 -11.244 12 1HH1 ARG 4 HH11 ARG 4 5.423 -2.103 -13.324 13 2HH1 ARG 4 HH12 ARG 4 4.850 -0.964 -14.494 14 1HH2 ARG 4 HH21 ARG 4 6.040 1.842 -12.783 15 2HH2 ARG 4 HH22 ARG 4 5.200 1.276 -14.188 16 H LYS 5 HN LYS 5 6.543 -1.341 -5.675 17 HA LYS 5 HA LYS 5 6.044 -3.554 -4.124 18 1HB LYS 5 HB2 LYS 5 6.687 -0.889 -3.724 19 2HB LYS 5 HB1 LYS 5 5.157 -1.076 -2.881 20 1HG LYS 5 HG2 LYS 5 7.174 -1.435 -1.493 21 2HG LYS 5 HG1 LYS 5 6.036 -2.776 -1.496 22 1HD LYS 5 HD2 LYS 5 7.713 -3.418 -3.560 23 2HD LYS 5 HD1 LYS 5 8.805 -2.653 -2.408 24 1HE LYS 5 HE2 LYS 5 8.681 -4.370 -0.978 25 2HE LYS 5 HE1 LYS 5 6.936 -4.524 -1.175 26 1HZ LYS 5 HZ1 LYS 5 8.672 -6.337 -2.040 27 2HZ LYS 5 HZ2 LYS 5 8.552 -5.383 -3.432 28 3HZ LYS 5 HZ3 LYS 5 7.164 -6.082 -2.765 29 H ARG 6 HN ARG 6 4.192 -3.223 -2.275 30 HA ARG 6 HA ARG 6 1.700 -3.374 -3.810 31 1HB ARG 6 HB2 ARG 6 2.840 -5.199 -2.033 32 2HB ARG 6 HB1 ARG 6 1.521 -4.460 -1.124 33 1HG ARG 6 HG2 ARG 6 -0.081 -5.373 -2.435 34 2HG ARG 6 HG1 ARG 6 0.922 -5.327 -3.888 35 1HD ARG 6 HD2 ARG 6 0.779 -7.596 -3.440 36 2HD ARG 6 HD1 ARG 6 2.313 -7.151 -2.694 37 HE ARG 6 HE ARG 6 1.434 -7.744 -0.677 38 1HH1 ARG 6 HH11 ARG 6 -1.203 -7.128 -2.878 39 2HH1 ARG 6 HH12 ARG 6 -2.422 -7.625 -1.754 40 1HH2 ARG 6 HH21 ARG 6 -0.168 -8.398 0.803 41 2HH2 ARG 6 HH22 ARG 6 -1.835 -8.347 0.337 42 H ILE 7 HN ILE 7 2.079 -0.893 -3.488 43 HA ILE 7 HA ILE 7 1.142 0.068 -0.908 44 HB ILE 7 HB ILE 7 1.606 1.826 -3.292 45 1HG1 ILE 7 HG12 ILE 7 3.981 1.872 -1.845 46 2HG1 ILE 7 HG11 ILE 7 3.580 0.154 -1.939 47 1HG2 ILE 7 HG21 ILE 7 2.515 3.250 -1.296 48 2HG2 ILE 7 HG22 ILE 7 1.552 2.133 -0.328 49 3HG2 ILE 7 HG23 ILE 7 0.780 3.110 -1.577 50 1HD1 ILE 7 HD11 ILE 7 5.011 0.804 -3.773 51 2HD1 ILE 7 HD12 ILE 7 3.860 2.048 -4.262 52 3HD1 ILE 7 HD13 ILE 7 3.419 0.344 -4.374 53 H HIS 8 HN HIS 8 -0.952 0.264 -0.488 54 HA HIS 8 HA HIS 8 -2.769 1.015 -2.675 55 1HB HIS 8 HB2 HIS 8 -3.036 -1.246 -0.718 56 2HB HIS 8 HB1 HIS 8 -4.481 -0.468 -1.373 57 HD1 HIS 8 HD1 HIS 8 -4.631 -0.511 -4.085 58 HD2 HIS 8 HD2 HIS 8 -1.969 -3.166 -2.317 59 HE1 HIS 8 HE1 HIS 8 -4.132 -2.236 -5.846 60 HE2 HIS 8 HE2 HIS 8 -2.460 -3.789 -4.778 61 H ILE 9 HN ILE 9 -4.009 2.717 -2.227 62 HA ILE 9 HA ILE 9 -4.536 3.386 0.588 63 HB ILE 9 HB ILE 9 -3.844 5.450 -1.501 64 1HG1 ILE 9 HG12 ILE 9 -1.892 4.013 -0.978 65 2HG1 ILE 9 HG11 ILE 9 -1.676 5.672 -0.418 66 1HG2 ILE 9 HG21 ILE 9 -4.739 5.515 1.304 67 2HG2 ILE 9 HG22 ILE 9 -4.954 6.697 0.013 68 3HG2 ILE 9 HG23 ILE 9 -3.427 6.619 0.892 69 1HD1 ILE 9 HD11 ILE 9 -1.849 5.080 1.800 70 2HD1 ILE 9 HD12 ILE 9 -1.001 3.697 1.108 71 3HD1 ILE 9 HD13 ILE 9 -2.729 3.593 1.446 72 H GLY 10 HN GLY 10 -6.566 4.099 1.027 73 1HA GLY 10 HA2 GLY 10 -8.310 4.849 -1.212 74 2HA GLY 10 HA1 GLY 10 -8.796 3.498 -0.193 75 HA PRO 11 HA PRO 11 -10.624 7.207 1.780 76 1HB PRO 11 HB2 PRO 11 -13.019 6.118 2.354 77 2HB PRO 11 HB1 PRO 11 -12.630 6.748 0.748 78 1HG PRO 11 HG2 PRO 11 -12.703 3.927 1.707 79 2HG PRO 11 HG1 PRO 11 -13.213 4.597 0.150 80 1HD PRO 11 HD2 PRO 11 -10.811 3.309 0.596 81 2HD PRO 11 HD1 PRO 11 -11.115 4.447 -0.728 82 H GLY 12 HN GLY 12 -8.826 6.411 3.304 83 1HA GLY 12 HA2 GLY 12 -8.447 6.305 5.615 84 2HA GLY 12 HA1 GLY 12 -10.096 5.734 5.837 85 H ARG 13 HN ARG 13 -8.257 4.192 3.389 86 HA ARG 13 HA ARG 13 -7.807 1.888 5.164 87 1HB ARG 13 HB2 ARG 13 -7.896 0.942 2.515 88 2HB ARG 13 HB1 ARG 13 -9.084 0.679 3.788 89 1HG ARG 13 HG2 ARG 13 -9.144 3.112 2.024 90 2HG ARG 13 HG1 ARG 13 -9.933 1.594 1.581 91 1HD ARG 13 HD2 ARG 13 -10.453 2.845 4.248 92 2HD ARG 13 HD1 ARG 13 -11.281 3.441 2.807 93 HE ARG 13 HE ARG 13 -11.699 0.770 2.703 94 1HH1 ARG 13 HH11 ARG 13 -12.199 3.167 5.190 95 2HH1 ARG 13 HH12 ARG 13 -13.541 2.334 5.897 96 1HH2 ARG 13 HH21 ARG 13 -13.466 -0.328 3.634 97 2HH2 ARG 13 HH22 ARG 13 -14.261 0.351 5.015 98 H ALA 14 HN ALA 14 -5.692 2.737 5.604 99 HA ALA 14 HA ALA 14 -3.798 3.084 3.477 100 1HB ALA 14 HB1 ALA 14 -2.348 3.837 5.070 101 2HB ALA 14 HB2 ALA 14 -2.896 2.675 6.278 102 3HB ALA 14 HB3 ALA 14 -3.873 4.099 5.916 103 H PHE 15 HN PHE 15 -3.043 1.418 2.355 104 HA PHE 15 HA PHE 15 -2.238 -1.003 3.819 105 1HB PHE 15 HB2 PHE 15 -3.729 -0.835 1.198 106 2HB PHE 15 HB1 PHE 15 -2.897 -2.291 1.731 107 HD1 PHE 15 HD1 PHE 15 -5.975 -0.707 1.618 108 HD2 PHE 15 HD2 PHE 15 -3.515 -2.978 4.246 109 HE1 PHE 15 HE1 PHE 15 -7.965 -1.370 2.904 110 HE2 PHE 15 HE2 PHE 15 -5.502 -3.645 5.537 111 HZ PHE 15 HZ PHE 15 -7.730 -2.840 4.866 112 H TYR 16 HN TYR 16 -0.366 0.793 3.524 113 HA TYR 16 HA TYR 16 1.046 0.426 1.009 114 1HB TYR 16 HB2 TYR 16 1.028 2.663 1.926 115 2HB TYR 16 HB1 TYR 16 1.667 2.085 3.460 116 HD1 TYR 16 HD1 TYR 16 3.447 3.789 3.279 117 HD2 TYR 16 HD2 TYR 16 3.055 0.676 0.405 118 HE1 TYR 16 HE1 TYR 16 5.733 4.234 2.492 119 HE2 TYR 16 HE2 TYR 16 5.340 1.113 -0.388 120 HH TYR 16 HH TYR 16 6.936 3.144 -0.378 121 H THR 17 HN THR 17 1.884 -1.600 0.910 122 HA THR 17 HA THR 17 3.567 -2.481 3.157 123 HB THR 17 HB THR 17 3.091 -4.691 2.658 124 HG1 THR 17 HG1 THR 17 2.466 -5.411 0.640 125 1HG2 THR 17 HG21 THR 17 0.631 -3.239 1.716 126 2HG2 THR 17 HG22 THR 17 1.002 -3.739 3.366 127 3HG2 THR 17 HG23 THR 17 0.706 -4.954 2.122 128 H THR 18 HN THR 18 5.638 -2.095 2.858 129 HA THR 18 HA THR 18 6.854 -2.724 0.276 130 HB THR 18 HB THR 18 6.626 -0.383 0.065 131 HG1 THR 18 HG1 THR 18 9.190 -0.717 1.219 132 1HG2 THR 18 HG21 THR 18 7.477 1.182 1.831 133 2HG2 THR 18 HG22 THR 18 7.489 -0.197 2.931 134 3HG2 THR 18 HG23 THR 18 5.973 0.341 2.208 135 H LYS 19 HN LYS 19 8.057 -4.428 0.901 136 HA LYS 19 HA LYS 19 9.746 -5.604 1.870 137 1HB LYS 19 HB2 LYS 19 10.557 -2.813 2.133 138 2HB LYS 19 HB1 LYS 19 11.226 -3.828 3.403 139 1HG LYS 19 HG2 LYS 19 11.422 -4.603 0.515 140 2HG LYS 19 HG1 LYS 19 12.592 -3.520 1.270 141 1HD LYS 19 HD2 LYS 19 11.911 -6.224 2.399 142 2HD LYS 19 HD1 LYS 19 13.202 -5.981 1.221 143 1HE LYS 19 HE2 LYS 19 13.016 -4.558 3.873 144 2HE LYS 19 HE1 LYS 19 13.981 -6.005 3.584 145 1HZ LYS 19 HZ1 LYS 19 15.545 -4.428 3.212 146 2HZ LYS 19 HZ2 LYS 19 14.435 -3.260 2.697 147 3HZ LYS 19 HZ3 LYS 19 14.906 -4.499 1.646 Start of MODEL 26 1 1H ARG 4 HT1 ARG 4 7.697 -6.577 -7.724 2 2H ARG 4 HT2 ARG 4 6.843 -5.126 -7.385 3 3H ARG 4 HT3 ARG 4 6.401 -6.588 -6.602 4 HA ARG 4 HA ARG 4 8.677 -6.632 -5.658 5 1HB ARG 4 HB2 ARG 4 9.600 -5.018 -7.286 6 2HB ARG 4 HB1 ARG 4 8.572 -3.761 -6.610 7 1HG ARG 4 HG2 ARG 4 9.735 -3.881 -4.502 8 2HG ARG 4 HG1 ARG 4 10.706 -5.236 -5.082 9 1HD ARG 4 HD2 ARG 4 11.995 -3.196 -5.211 10 2HD ARG 4 HD1 ARG 4 11.640 -3.779 -6.837 11 HE ARG 4 HE ARG 4 9.665 -1.935 -6.041 12 1HH1 ARG 4 HH11 ARG 4 13.022 -2.058 -6.993 13 2HH1 ARG 4 HH12 ARG 4 13.028 -0.448 -7.628 14 1HH2 ARG 4 HH21 ARG 4 9.674 0.181 -6.880 15 2HH2 ARG 4 HH22 ARG 4 11.128 0.823 -7.565 16 H LYS 5 HN LYS 5 6.631 -3.702 -5.679 17 HA LYS 5 HA LYS 5 5.842 -4.323 -2.924 18 1HB LYS 5 HB2 LYS 5 6.630 -2.421 -2.036 19 2HB LYS 5 HB1 LYS 5 7.699 -2.416 -3.426 20 1HG LYS 5 HG2 LYS 5 5.607 -1.103 -4.474 21 2HG LYS 5 HG1 LYS 5 5.414 -0.666 -2.776 22 1HD LYS 5 HD2 LYS 5 7.623 -0.026 -4.672 23 2HD LYS 5 HD1 LYS 5 6.782 1.021 -3.530 24 1HE LYS 5 HE2 LYS 5 7.920 -0.501 -1.744 25 2HE LYS 5 HE1 LYS 5 9.026 -0.891 -3.058 26 1HZ LYS 5 HZ1 LYS 5 9.253 1.614 -3.316 27 2HZ LYS 5 HZ2 LYS 5 10.000 0.908 -1.973 28 3HZ LYS 5 HZ3 LYS 5 8.534 1.732 -1.789 29 H ARG 6 HN ARG 6 4.143 -2.388 -2.320 30 HA ARG 6 HA ARG 6 2.418 -1.688 -4.487 31 1HB ARG 6 HB2 ARG 6 1.949 -4.170 -3.032 32 2HB ARG 6 HB1 ARG 6 0.565 -3.078 -2.957 33 1HG ARG 6 HG2 ARG 6 0.330 -3.053 -5.299 34 2HG ARG 6 HG1 ARG 6 1.916 -3.793 -5.544 35 1HD ARG 6 HD2 ARG 6 0.063 -5.361 -3.891 36 2HD ARG 6 HD1 ARG 6 -0.450 -5.138 -5.562 37 HE ARG 6 HE ARG 6 2.254 -5.921 -5.501 38 1HH1 ARG 6 HH11 ARG 6 -0.942 -7.203 -4.934 39 2HH1 ARG 6 HH12 ARG 6 -0.499 -8.827 -5.344 40 1HH2 ARG 6 HH21 ARG 6 2.839 -8.055 -6.037 41 2HH2 ARG 6 HH22 ARG 6 1.647 -9.311 -5.969 42 H ILE 7 HN ILE 7 1.498 0.174 -3.985 43 HA ILE 7 HA ILE 7 0.836 0.740 -1.179 44 HB ILE 7 HB ILE 7 2.170 2.715 -3.036 45 1HG1 ILE 7 HG12 ILE 7 3.428 1.703 -0.515 46 2HG1 ILE 7 HG11 ILE 7 3.511 0.699 -1.967 47 1HG2 ILE 7 HG21 ILE 7 0.745 3.890 -1.557 48 2HG2 ILE 7 HG22 ILE 7 2.373 4.038 -0.897 49 3HG2 ILE 7 HG23 ILE 7 1.233 2.898 -0.183 50 1HD1 ILE 7 HD11 ILE 7 4.281 3.142 -2.908 51 2HD1 ILE 7 HD12 ILE 7 5.367 1.846 -2.407 52 3HD1 ILE 7 HD13 ILE 7 4.953 3.137 -1.277 53 H HIS 8 HN HIS 8 -1.260 1.171 -1.042 54 HA HIS 8 HA HIS 8 -2.513 2.881 -3.052 55 1HB HIS 8 HB2 HIS 8 -3.781 0.281 -2.174 56 2HB HIS 8 HB1 HIS 8 -4.387 1.410 -3.391 57 HD1 HIS 8 HD1 HIS 8 -2.489 1.735 -5.454 58 HD2 HIS 8 HD2 HIS 8 -2.530 -1.819 -3.303 59 HE1 HIS 8 HE1 HIS 8 -1.308 0.056 -6.908 60 HE2 HIS 8 HE2 HIS 8 -1.416 -2.107 -5.619 61 H ILE 9 HN ILE 9 -3.754 4.389 -2.142 62 HA ILE 9 HA ILE 9 -4.714 3.928 0.609 63 HB ILE 9 HB ILE 9 -3.954 6.612 -0.541 64 1HG1 ILE 9 HG12 ILE 9 -1.980 5.129 -0.349 65 2HG1 ILE 9 HG11 ILE 9 -1.915 6.477 0.787 66 1HG2 ILE 9 HG21 ILE 9 -4.473 5.757 2.303 67 2HG2 ILE 9 HG22 ILE 9 -5.626 6.608 1.274 68 3HG2 ILE 9 HG23 ILE 9 -4.115 7.390 1.740 69 1HD1 ILE 9 HD11 ILE 9 -1.227 4.195 1.646 70 2HD1 ILE 9 HD12 ILE 9 -2.939 3.773 1.579 71 3HD1 ILE 9 HD13 ILE 9 -2.395 5.094 2.614 72 H GLY 10 HN GLY 10 -6.817 4.353 1.038 73 1HA GLY 10 HA2 GLY 10 -8.396 5.795 -0.980 74 2HA GLY 10 HA1 GLY 10 -8.891 4.174 -0.509 75 HA PRO 11 HA PRO 11 -11.000 6.643 2.607 76 1HB PRO 11 HB2 PRO 11 -13.289 5.224 2.630 77 2HB PRO 11 HB1 PRO 11 -12.897 6.364 1.337 78 1HG PRO 11 HG2 PRO 11 -12.984 3.434 1.267 79 2HG PRO 11 HG1 PRO 11 -13.007 4.588 -0.074 80 1HD PRO 11 HD2 PRO 11 -10.768 3.080 1.002 81 2HD PRO 11 HD1 PRO 11 -10.837 4.072 -0.469 82 H GLY 12 HN GLY 12 -9.594 6.007 4.320 83 1HA GLY 12 HA2 GLY 12 -9.083 4.986 6.309 84 2HA GLY 12 HA1 GLY 12 -10.782 4.545 6.373 85 H ARG 13 HN ARG 13 -7.917 3.567 4.484 86 HA ARG 13 HA ARG 13 -8.014 0.902 5.500 87 1HB ARG 13 HB2 ARG 13 -8.242 0.103 2.937 88 2HB ARG 13 HB1 ARG 13 -9.597 0.176 4.058 89 1HG ARG 13 HG2 ARG 13 -10.285 1.170 2.016 90 2HG ARG 13 HG1 ARG 13 -10.085 2.467 3.200 91 1HD ARG 13 HD2 ARG 13 -8.775 3.490 1.732 92 2HD ARG 13 HD1 ARG 13 -7.591 2.207 1.991 93 HE ARG 13 HE ARG 13 -9.679 1.777 -0.008 94 1HH1 ARG 13 HH11 ARG 13 -6.323 2.457 0.697 95 2HH1 ARG 13 HH12 ARG 13 -5.784 2.045 -0.894 96 1HH2 ARG 13 HH21 ARG 13 -8.962 1.239 -2.094 97 2HH2 ARG 13 HH22 ARG 13 -7.277 1.356 -2.478 98 H ALA 14 HN ALA 14 -5.968 2.505 5.721 99 HA ALA 14 HA ALA 14 -4.110 2.918 3.778 100 1HB ALA 14 HB1 ALA 14 -4.033 3.404 6.319 101 2HB ALA 14 HB2 ALA 14 -2.522 3.152 5.445 102 3HB ALA 14 HB3 ALA 14 -3.205 1.851 6.420 103 H PHE 15 HN PHE 15 -2.747 1.764 2.555 104 HA PHE 15 HA PHE 15 -2.226 -1.035 3.211 105 1HB PHE 15 HB2 PHE 15 -3.387 -0.074 0.592 106 2HB PHE 15 HB1 PHE 15 -2.655 -1.660 0.807 107 HD1 PHE 15 HD1 PHE 15 -5.650 -0.367 0.317 108 HD2 PHE 15 HD2 PHE 15 -3.634 -2.551 3.363 109 HE1 PHE 15 HE1 PHE 15 -7.807 -1.249 1.105 110 HE2 PHE 15 HE2 PHE 15 -5.788 -3.438 4.157 111 HZ PHE 15 HZ PHE 15 -7.878 -2.787 3.028 112 H TYR 16 HN TYR 16 -0.425 0.933 3.593 113 HA TYR 16 HA TYR 16 1.292 1.125 1.252 114 1HB TYR 16 HB2 TYR 16 1.138 3.147 2.492 115 2HB TYR 16 HB1 TYR 16 1.409 2.319 4.021 116 HD1 TYR 16 HD1 TYR 16 3.602 1.992 4.854 117 HD2 TYR 16 HD2 TYR 16 3.043 3.392 0.876 118 HE1 TYR 16 HE1 TYR 16 6.003 2.499 4.701 119 HE2 TYR 16 HE2 TYR 16 5.443 3.901 0.711 120 HH TYR 16 HH TYR 16 7.715 2.819 3.035 121 H THR 17 HN THR 17 2.414 -0.671 0.825 122 HA THR 17 HA THR 17 4.040 -1.809 2.990 123 HB THR 17 HB THR 17 3.656 -4.076 1.914 124 HG1 THR 17 HG1 THR 17 2.461 -4.128 0.213 125 1HG2 THR 17 HG21 THR 17 2.550 -3.912 3.924 126 2HG2 THR 17 HG22 THR 17 1.235 -4.250 2.800 127 3HG2 THR 17 HG23 THR 17 1.509 -2.603 3.365 128 H THR 18 HN THR 18 5.865 -0.750 2.223 129 HA THR 18 HA THR 18 6.712 -1.277 -0.517 130 HB THR 18 HB THR 18 8.501 0.359 -0.048 131 HG1 THR 18 HG1 THR 18 7.264 0.648 2.483 132 1HG2 THR 18 HG21 THR 18 7.001 2.342 0.565 133 2HG2 THR 18 HG22 THR 18 5.683 1.171 0.526 134 3HG2 THR 18 HG23 THR 18 6.654 1.453 -0.918 135 H LYS 19 HN LYS 19 6.662 -3.492 1.252 136 HA LYS 19 HA LYS 19 9.407 -3.967 2.071 137 1HB LYS 19 HB2 LYS 19 7.318 -4.719 3.356 138 2HB LYS 19 HB1 LYS 19 7.160 -5.970 2.131 139 1HG LYS 19 HG2 LYS 19 9.729 -6.333 2.821 140 2HG LYS 19 HG1 LYS 19 9.085 -5.715 4.344 141 1HD LYS 19 HD2 LYS 19 7.553 -7.833 2.926 142 2HD LYS 19 HD1 LYS 19 9.037 -8.295 3.761 143 1HE LYS 19 HE2 LYS 19 7.081 -6.585 5.206 144 2HE LYS 19 HE1 LYS 19 6.690 -8.290 4.984 145 1HZ LYS 19 HZ1 LYS 19 7.852 -8.455 6.896 146 2HZ LYS 19 HZ2 LYS 19 8.762 -7.058 6.617 147 3HZ LYS 19 HZ3 LYS 19 9.178 -8.504 5.846 Start of MODEL 27 1 1H ARG 4 HT1 ARG 4 8.905 -7.330 -6.701 2 2H ARG 4 HT2 ARG 4 7.301 -7.842 -6.364 3 3H ARG 4 HT3 ARG 4 8.338 -7.359 -5.084 4 HA ARG 4 HA ARG 4 8.461 -5.157 -6.261 5 1HB ARG 4 HB2 ARG 4 6.024 -6.421 -7.530 6 2HB ARG 4 HB1 ARG 4 6.394 -4.704 -7.595 7 1HG ARG 4 HG2 ARG 4 8.578 -6.440 -8.482 8 2HG ARG 4 HG1 ARG 4 7.119 -6.533 -9.469 9 1HD ARG 4 HD2 ARG 4 7.687 -3.795 -8.843 10 2HD ARG 4 HD1 ARG 4 9.125 -4.557 -9.519 11 HE ARG 4 HE ARG 4 6.981 -5.278 -11.129 12 1HH1 ARG 4 HH11 ARG 4 8.676 -2.367 -10.219 13 2HH1 ARG 4 HH12 ARG 4 8.341 -1.555 -11.711 14 1HH2 ARG 4 HH21 ARG 4 6.540 -4.213 -13.093 15 2HH2 ARG 4 HH22 ARG 4 7.128 -2.604 -13.343 16 H LYS 5 HN LYS 5 7.418 -3.534 -5.135 17 HA LYS 5 HA LYS 5 5.909 -4.407 -2.825 18 1HB LYS 5 HB2 LYS 5 6.556 -2.468 -1.828 19 2HB LYS 5 HB1 LYS 5 7.808 -2.561 -3.053 20 1HG LYS 5 HG2 LYS 5 5.805 -1.177 -4.333 21 2HG LYS 5 HG1 LYS 5 5.697 -0.591 -2.675 22 1HD LYS 5 HD2 LYS 5 7.956 -0.385 -4.624 23 2HD LYS 5 HD1 LYS 5 7.210 0.872 -3.637 24 1HE LYS 5 HE2 LYS 5 8.151 -0.532 -1.655 25 2HE LYS 5 HE1 LYS 5 9.232 -1.188 -2.879 26 1HZ LYS 5 HZ1 LYS 5 9.436 1.249 -1.515 27 2HZ LYS 5 HZ2 LYS 5 9.193 1.597 -3.152 28 3HZ LYS 5 HZ3 LYS 5 10.484 0.610 -2.680 29 H ARG 6 HN ARG 6 4.233 -2.401 -2.228 30 HA ARG 6 HA ARG 6 2.572 -1.711 -4.459 31 1HB ARG 6 HB2 ARG 6 2.101 -4.206 -3.427 32 2HB ARG 6 HB1 ARG 6 0.965 -3.214 -2.510 33 1HG ARG 6 HG2 ARG 6 -0.382 -3.642 -4.258 34 2HG ARG 6 HG1 ARG 6 0.491 -2.289 -4.990 35 1HD ARG 6 HD2 ARG 6 1.379 -3.607 -6.549 36 2HD ARG 6 HD1 ARG 6 1.918 -4.779 -5.346 37 HE ARG 6 HE ARG 6 -0.407 -4.955 -7.004 38 1HH1 ARG 6 HH11 ARG 6 0.948 -5.903 -3.932 39 2HH1 ARG 6 HH12 ARG 6 -0.060 -7.302 -3.777 40 1HH2 ARG 6 HH21 ARG 6 -1.734 -6.796 -6.803 41 2HH2 ARG 6 HH22 ARG 6 -1.581 -7.810 -5.408 42 H ILE 7 HN ILE 7 1.769 0.224 -4.052 43 HA ILE 7 HA ILE 7 1.169 0.948 -1.261 44 HB ILE 7 HB ILE 7 2.279 2.900 -3.268 45 1HG1 ILE 7 HG12 ILE 7 4.039 1.998 -1.072 46 2HG1 ILE 7 HG11 ILE 7 3.752 0.799 -2.338 47 1HG2 ILE 7 HG21 ILE 7 1.479 4.276 -1.688 48 2HG2 ILE 7 HG22 ILE 7 2.927 3.810 -0.797 49 3HG2 ILE 7 HG23 ILE 7 1.395 3.001 -0.474 50 1HD1 ILE 7 HD11 ILE 7 5.382 1.778 -3.468 51 2HD1 ILE 7 HD12 ILE 7 5.422 3.151 -2.362 52 3HD1 ILE 7 HD13 ILE 7 4.292 3.141 -3.716 53 H HIS 8 HN HIS 8 -0.963 1.206 -1.123 54 HA HIS 8 HA HIS 8 -2.300 3.010 -2.964 55 1HB HIS 8 HB2 HIS 8 -2.816 0.083 -2.843 56 2HB HIS 8 HB1 HIS 8 -4.224 1.146 -2.957 57 HD1 HIS 8 HD1 HIS 8 -3.748 -0.663 -5.289 58 HD2 HIS 8 HD2 HIS 8 -2.011 3.102 -5.004 59 HE1 HIS 8 HE1 HIS 8 -3.196 0.003 -7.651 60 HE2 HIS 8 HE2 HIS 8 -2.218 2.317 -7.461 61 H ILE 9 HN ILE 9 -3.648 4.299 -1.883 62 HA ILE 9 HA ILE 9 -4.746 3.351 0.681 63 HB ILE 9 HB ILE 9 -3.778 6.167 0.199 64 1HG1 ILE 9 HG12 ILE 9 -1.888 4.583 0.217 65 2HG1 ILE 9 HG11 ILE 9 -1.880 5.623 1.642 66 1HG2 ILE 9 HG21 ILE 9 -4.455 6.672 2.308 67 2HG2 ILE 9 HG22 ILE 9 -4.199 5.033 2.903 68 3HG2 ILE 9 HG23 ILE 9 -5.632 5.409 1.948 69 1HD1 ILE 9 HD11 ILE 9 -3.342 3.384 2.402 70 2HD1 ILE 9 HD12 ILE 9 -1.685 3.785 2.856 71 3HD1 ILE 9 HD13 ILE 9 -1.992 2.754 1.458 72 H GLY 10 HN GLY 10 -6.849 3.824 1.068 73 1HA GLY 10 HA2 GLY 10 -8.218 5.551 -0.904 74 2HA GLY 10 HA1 GLY 10 -8.904 4.026 -0.353 75 HA PRO 11 HA PRO 11 -10.771 7.149 2.400 76 1HB PRO 11 HB2 PRO 11 -13.178 5.974 2.631 77 2HB PRO 11 HB1 PRO 11 -12.732 6.935 1.215 78 1HG PRO 11 HG2 PRO 11 -12.787 3.968 1.546 79 2HG PRO 11 HG1 PRO 11 -13.299 4.951 0.165 80 1HD PRO 11 HD2 PRO 11 -10.889 3.643 0.312 81 2HD PRO 11 HD1 PRO 11 -11.178 5.085 -0.679 82 H GLY 12 HN GLY 12 -9.028 6.050 3.784 83 1HA GLY 12 HA2 GLY 12 -8.733 5.448 6.025 84 2HA GLY 12 HA1 GLY 12 -10.389 4.856 6.061 85 H ARG 13 HN ARG 13 -8.424 3.858 3.426 86 HA ARG 13 HA ARG 13 -8.328 1.153 4.553 87 1HB ARG 13 HB2 ARG 13 -7.569 1.402 1.743 88 2HB ARG 13 HB1 ARG 13 -8.769 0.358 2.492 89 1HG ARG 13 HG2 ARG 13 -9.150 3.228 1.649 90 2HG ARG 13 HG1 ARG 13 -9.813 1.795 0.861 91 1HD ARG 13 HD2 ARG 13 -10.579 3.058 3.466 92 2HD ARG 13 HD1 ARG 13 -11.596 2.618 2.098 93 HE ARG 13 HE ARG 13 -10.351 0.395 3.473 94 1HH1 ARG 13 HH11 ARG 13 -13.160 2.453 3.216 95 2HH1 ARG 13 HH12 ARG 13 -14.216 1.311 3.977 96 1HH2 ARG 13 HH21 ARG 13 -11.742 -1.104 4.472 97 2HH2 ARG 13 HH22 ARG 13 -13.412 -0.705 4.690 98 H ALA 14 HN ALA 14 -6.479 1.638 5.864 99 HA ALA 14 HA ALA 14 -4.003 2.397 4.596 100 1HB ALA 14 HB1 ALA 14 -3.192 2.722 6.685 101 2HB ALA 14 HB2 ALA 14 -3.974 1.280 7.335 102 3HB ALA 14 HB3 ALA 14 -4.908 2.755 7.085 103 H PHE 15 HN PHE 15 -3.446 0.812 3.130 104 HA PHE 15 HA PHE 15 -2.479 -1.677 4.318 105 1HB PHE 15 HB2 PHE 15 -3.461 -3.078 2.650 106 2HB PHE 15 HB1 PHE 15 -4.751 -2.079 3.307 107 HD1 PHE 15 HD1 PHE 15 -5.539 -0.093 1.983 108 HD2 PHE 15 HD2 PHE 15 -2.944 -3.051 0.363 109 HE1 PHE 15 HE1 PHE 15 -6.126 0.643 -0.291 110 HE2 PHE 15 HE2 PHE 15 -3.525 -2.320 -1.913 111 HZ PHE 15 HZ PHE 15 -5.118 -0.471 -2.242 112 H TYR 16 HN TYR 16 -1.112 0.692 3.500 113 HA TYR 16 HA TYR 16 0.184 0.024 0.982 114 1HB TYR 16 HB2 TYR 16 0.183 2.273 0.900 115 2HB TYR 16 HB1 TYR 16 -0.138 2.413 2.623 116 HD1 TYR 16 HD1 TYR 16 1.423 3.597 3.829 117 HD2 TYR 16 HD2 TYR 16 2.720 1.406 0.421 118 HE1 TYR 16 HE1 TYR 16 3.718 4.399 4.195 119 HE2 TYR 16 HE2 TYR 16 5.016 2.202 0.778 120 HH TYR 16 HH TYR 16 6.159 3.374 3.492 121 H THR 17 HN THR 17 2.166 -0.853 0.776 122 HA THR 17 HA THR 17 3.983 -0.949 3.039 123 HB THR 17 HB THR 17 2.625 -2.932 3.413 124 HG1 THR 17 HG1 THR 17 4.313 -4.486 3.272 125 1HG2 THR 17 HG21 THR 17 3.443 -4.520 1.169 126 2HG2 THR 17 HG22 THR 17 2.499 -3.130 0.636 127 3HG2 THR 17 HG23 THR 17 1.829 -4.247 1.827 128 H THR 18 HN THR 18 5.828 -0.245 2.187 129 HA THR 18 HA THR 18 6.492 -0.965 -0.574 130 HB THR 18 HB THR 18 8.405 0.825 0.118 131 HG1 THR 18 HG1 THR 18 7.349 1.077 2.198 132 1HG2 THR 18 HG21 THR 18 5.886 0.971 -1.301 133 2HG2 THR 18 HG22 THR 18 7.456 1.671 -1.694 134 3HG2 THR 18 HG23 THR 18 6.364 2.515 -0.597 135 H LYS 19 HN LYS 19 7.146 -3.114 -0.023 136 HA LYS 19 HA LYS 19 9.824 -3.203 1.198 137 1HB LYS 19 HB2 LYS 19 7.513 -5.096 1.588 138 2HB LYS 19 HB1 LYS 19 9.172 -5.564 1.935 139 1HG LYS 19 HG2 LYS 19 7.973 -3.108 3.159 140 2HG LYS 19 HG1 LYS 19 7.708 -4.707 3.859 141 1HD LYS 19 HD2 LYS 19 10.035 -5.022 4.227 142 2HD LYS 19 HD1 LYS 19 10.446 -3.608 3.256 143 1HE LYS 19 HE2 LYS 19 10.023 -2.169 4.940 144 2HE LYS 19 HE1 LYS 19 8.642 -3.098 5.524 145 1HZ LYS 19 HZ1 LYS 19 9.922 -4.293 6.925 146 2HZ LYS 19 HZ2 LYS 19 10.924 -2.932 6.844 147 3HZ LYS 19 HZ3 LYS 19 11.271 -4.293 5.902 Start of MODEL 28 1 1H ARG 4 HT1 ARG 4 5.827 -6.083 -7.070 2 2H ARG 4 HT2 ARG 4 5.712 -7.179 -5.754 3 3H ARG 4 HT3 ARG 4 6.784 -7.505 -7.054 4 HA ARG 4 HA ARG 4 8.117 -6.752 -5.371 5 1HB ARG 4 HB2 ARG 4 8.615 -5.765 -7.522 6 2HB ARG 4 HB1 ARG 4 7.413 -4.508 -7.273 7 1HG ARG 4 HG2 ARG 4 9.084 -4.238 -5.092 8 2HG ARG 4 HG1 ARG 4 10.181 -4.639 -6.415 9 1HD ARG 4 HD2 ARG 4 9.037 -2.839 -7.756 10 2HD ARG 4 HD1 ARG 4 8.216 -2.362 -6.270 11 HE ARG 4 HE ARG 4 10.950 -2.442 -5.740 12 1HH1 ARG 4 HH11 ARG 4 8.716 -0.621 -7.709 13 2HH1 ARG 4 HH12 ARG 4 9.676 0.820 -7.684 14 1HH2 ARG 4 HH21 ARG 4 12.213 -0.547 -5.707 15 2HH2 ARG 4 HH22 ARG 4 11.661 0.862 -6.550 16 H LYS 5 HN LYS 5 6.323 -3.732 -5.866 17 HA LYS 5 HA LYS 5 5.743 -3.671 -2.986 18 1HB LYS 5 HB2 LYS 5 7.394 -2.094 -3.009 19 2HB LYS 5 HB1 LYS 5 7.174 -1.734 -4.711 20 1HG LYS 5 HG2 LYS 5 5.091 -0.495 -4.077 21 2HG LYS 5 HG1 LYS 5 5.580 -0.693 -2.392 22 1HD LYS 5 HD2 LYS 5 7.247 0.620 -4.536 23 2HD LYS 5 HD1 LYS 5 6.255 1.481 -3.361 24 1HE LYS 5 HE2 LYS 5 7.741 1.189 -1.705 25 2HE LYS 5 HE1 LYS 5 8.094 -0.470 -2.184 26 1HZ LYS 5 HZ1 LYS 5 9.082 1.626 -3.946 27 2HZ LYS 5 HZ2 LYS 5 9.809 0.172 -3.480 28 3HZ LYS 5 HZ3 LYS 5 9.835 1.502 -2.436 29 H ARG 6 HN ARG 6 4.010 -2.054 -2.458 30 HA ARG 6 HA ARG 6 2.253 -1.225 -4.530 31 1HB ARG 6 HB2 ARG 6 0.759 -2.876 -4.630 32 2HB ARG 6 HB1 ARG 6 1.906 -3.856 -3.720 33 1HG ARG 6 HG2 ARG 6 0.023 -2.109 -2.208 34 2HG ARG 6 HG1 ARG 6 -0.595 -3.580 -2.961 35 1HD ARG 6 HD2 ARG 6 0.382 -3.567 -0.503 36 2HD ARG 6 HD1 ARG 6 0.571 -4.944 -1.583 37 HE ARG 6 HE ARG 6 2.681 -2.912 -1.354 38 1HH1 ARG 6 HH11 ARG 6 1.630 -6.234 -1.053 39 2HH1 ARG 6 HH12 ARG 6 3.235 -6.850 -0.864 40 1HH2 ARG 6 HH21 ARG 6 4.789 -3.732 -1.108 41 2HH2 ARG 6 HH22 ARG 6 5.024 -5.435 -0.894 42 H ILE 7 HN ILE 7 1.389 0.614 -3.898 43 HA ILE 7 HA ILE 7 0.859 1.019 -1.028 44 HB ILE 7 HB ILE 7 1.703 3.301 -2.776 45 1HG1 ILE 7 HG12 ILE 7 3.990 2.679 -1.387 46 2HG1 ILE 7 HG11 ILE 7 3.390 1.080 -1.837 47 1HG2 ILE 7 HG21 ILE 7 1.072 4.253 -0.836 48 2HG2 ILE 7 HG22 ILE 7 2.689 3.782 -0.318 49 3HG2 ILE 7 HG23 ILE 7 1.302 2.772 0.092 50 1HD1 ILE 7 HD11 ILE 7 4.801 2.957 -3.418 51 2HD1 ILE 7 HD12 ILE 7 3.192 2.755 -4.110 52 3HD1 ILE 7 HD13 ILE 7 4.227 1.349 -3.859 53 H HIS 8 HN HIS 8 -1.275 1.177 -0.788 54 HA HIS 8 HA HIS 8 -2.767 2.855 -2.691 55 1HB HIS 8 HB2 HIS 8 -3.641 0.199 -1.533 56 2HB HIS 8 HB1 HIS 8 -4.707 1.300 -2.413 57 HD1 HIS 8 HD1 HIS 8 -3.926 -1.643 -3.316 58 HD2 HIS 8 HD2 HIS 8 -2.290 1.888 -4.772 59 HE1 HIS 8 HE1 HIS 8 -3.034 -2.207 -5.599 60 HE2 HIS 8 HE2 HIS 8 -1.965 -0.079 -6.420 61 H ILE 9 HN ILE 9 -3.914 4.422 -1.768 62 HA ILE 9 HA ILE 9 -4.694 4.140 1.055 63 HB ILE 9 HB ILE 9 -3.757 6.770 -0.063 64 1HG1 ILE 9 HG12 ILE 9 -1.885 5.187 -0.251 65 2HG1 ILE 9 HG11 ILE 9 -1.584 6.383 1.011 66 1HG2 ILE 9 HG21 ILE 9 -4.134 5.700 2.727 67 2HG2 ILE 9 HG22 ILE 9 -5.108 6.924 1.914 68 3HG2 ILE 9 HG23 ILE 9 -3.434 7.272 2.345 69 1HD1 ILE 9 HD11 ILE 9 -1.272 4.774 2.490 70 2HD1 ILE 9 HD12 ILE 9 -1.483 3.584 1.206 71 3HD1 ILE 9 HD13 ILE 9 -2.871 4.111 2.158 72 H GLY 10 HN GLY 10 -6.759 4.662 1.467 73 1HA GLY 10 HA2 GLY 10 -8.172 6.582 -0.186 74 2HA GLY 10 HA1 GLY 10 -8.735 4.921 -0.339 75 HA PRO 11 HA PRO 11 -11.181 6.520 3.144 76 1HB PRO 11 HB2 PRO 11 -13.413 5.117 2.654 77 2HB PRO 11 HB1 PRO 11 -12.988 6.551 1.706 78 1HG PRO 11 HG2 PRO 11 -12.687 3.664 1.008 79 2HG PRO 11 HG1 PRO 11 -13.192 5.018 -0.015 80 1HD PRO 11 HD2 PRO 11 -10.646 3.947 0.027 81 2HD PRO 11 HD1 PRO 11 -11.042 5.587 -0.519 82 H GLY 12 HN GLY 12 -9.512 5.268 4.377 83 1HA GLY 12 HA2 GLY 12 -9.308 3.875 6.238 84 2HA GLY 12 HA1 GLY 12 -10.821 3.100 5.792 85 H ARG 13 HN ARG 13 -8.396 3.482 3.372 86 HA ARG 13 HA ARG 13 -7.772 0.612 3.563 87 1HB ARG 13 HB2 ARG 13 -7.205 1.557 0.940 88 2HB ARG 13 HB1 ARG 13 -8.418 0.384 1.441 89 1HG ARG 13 HG2 ARG 13 -8.910 3.350 1.508 90 2HG ARG 13 HG1 ARG 13 -9.235 2.353 0.086 91 1HD ARG 13 HD2 ARG 13 -10.353 1.643 2.778 92 2HD ARG 13 HD1 ARG 13 -11.156 2.815 1.732 93 HE ARG 13 HE ARG 13 -10.784 0.682 0.107 94 1HH1 ARG 13 HH11 ARG 13 -12.219 1.062 3.267 95 2HH1 ARG 13 HH12 ARG 13 -13.339 -0.240 3.052 96 1HH2 ARG 13 HH21 ARG 13 -12.255 -1.032 -0.175 97 2HH2 ARG 13 HH22 ARG 13 -13.360 -1.431 1.098 98 H ALA 14 HN ALA 14 -6.027 1.281 5.013 99 HA ALA 14 HA ALA 14 -3.841 2.785 3.835 100 1HB ALA 14 HB1 ALA 14 -4.666 2.829 6.308 101 2HB ALA 14 HB2 ALA 14 -2.944 2.941 5.949 102 3HB ALA 14 HB3 ALA 14 -3.636 1.407 6.473 103 H PHE 15 HN PHE 15 -3.397 1.274 2.110 104 HA PHE 15 HA PHE 15 -2.049 -1.188 2.987 105 1HB PHE 15 HB2 PHE 15 -3.017 -0.455 0.217 106 2HB PHE 15 HB1 PHE 15 -2.349 -2.007 0.712 107 HD1 PHE 15 HD1 PHE 15 -5.285 -0.383 -0.039 108 HD2 PHE 15 HD2 PHE 15 -3.631 -2.988 2.892 109 HE1 PHE 15 HE1 PHE 15 -7.546 -1.164 0.536 110 HE2 PHE 15 HE2 PHE 15 -5.889 -3.775 3.472 111 HZ PHE 15 HZ PHE 15 -7.850 -2.863 2.294 112 H TYR 16 HN TYR 16 -0.332 0.497 3.610 113 HA TYR 16 HA TYR 16 1.344 1.184 1.298 114 1HB TYR 16 HB2 TYR 16 0.802 3.070 2.744 115 2HB TYR 16 HB1 TYR 16 1.417 2.203 4.147 116 HD1 TYR 16 HD1 TYR 16 3.192 2.002 0.951 117 HD2 TYR 16 HD2 TYR 16 2.940 4.031 4.683 118 HE1 TYR 16 HE1 TYR 16 5.418 2.974 0.567 119 HE2 TYR 16 HE2 TYR 16 5.164 5.009 4.308 120 HH TYR 16 HH TYR 16 7.249 3.934 1.813 121 H THR 17 HN THR 17 2.379 -0.740 0.903 122 HA THR 17 HA THR 17 4.307 -1.563 2.959 123 HB THR 17 HB THR 17 3.914 -3.956 2.025 124 HG1 THR 17 HG1 THR 17 2.008 -4.317 1.071 125 1HG2 THR 17 HG21 THR 17 3.114 -4.213 4.066 126 2HG2 THR 17 HG22 THR 17 1.531 -3.730 3.458 127 3HG2 THR 17 HG23 THR 17 2.620 -2.521 4.139 128 H THR 18 HN THR 18 6.241 -1.151 2.137 129 HA THR 18 HA THR 18 6.677 -1.235 -0.736 130 HB THR 18 HB THR 18 8.766 -0.137 -0.294 131 HG1 THR 18 HG1 THR 18 8.276 -0.645 2.452 132 1HG2 THR 18 HG21 THR 18 8.042 1.871 0.462 133 2HG2 THR 18 HG22 THR 18 7.167 1.170 1.824 134 3HG2 THR 18 HG23 THR 18 6.479 1.094 0.202 135 H LYS 19 HN LYS 19 8.207 -2.625 2.172 136 HA LYS 19 HA LYS 19 8.764 -5.062 0.672 137 1HB LYS 19 HB2 LYS 19 10.756 -3.099 1.173 138 2HB LYS 19 HB1 LYS 19 11.101 -4.471 2.216 139 1HG LYS 19 HG2 LYS 19 12.274 -5.033 0.333 140 2HG LYS 19 HG1 LYS 19 10.741 -5.855 0.033 141 1HD LYS 19 HD2 LYS 19 10.819 -4.803 -1.952 142 2HD LYS 19 HD1 LYS 19 10.253 -3.403 -1.038 143 1HE LYS 19 HE2 LYS 19 12.934 -3.252 -0.630 144 2HE LYS 19 HE1 LYS 19 12.875 -3.940 -2.253 145 1HZ LYS 19 HZ1 LYS 19 12.124 -1.294 -1.334 146 2HZ LYS 19 HZ2 LYS 19 11.073 -1.988 -2.462 147 3HZ LYS 19 HZ3 LYS 19 12.709 -1.792 -2.842 Start of MODEL 29 1 1H ARG 4 HT1 ARG 4 8.423 -3.483 -7.461 2 2H ARG 4 HT2 ARG 4 8.309 -4.646 -8.718 3 3H ARG 4 HT3 ARG 4 7.992 -5.101 -7.094 4 HA ARG 4 HA ARG 4 6.436 -3.041 -8.479 5 1HB ARG 4 HB2 ARG 4 4.782 -4.947 -8.829 6 2HB ARG 4 HB1 ARG 4 6.190 -4.931 -9.881 7 1HG ARG 4 HG2 ARG 4 6.584 -6.473 -7.436 8 2HG ARG 4 HG1 ARG 4 5.282 -7.081 -8.459 9 1HD ARG 4 HD2 ARG 4 7.684 -6.349 -9.946 10 2HD ARG 4 HD1 ARG 4 7.957 -7.628 -8.764 11 HE ARG 4 HE ARG 4 5.724 -8.451 -10.032 12 1HH1 ARG 4 HH11 ARG 4 8.844 -7.394 -11.182 13 2HH1 ARG 4 HH12 ARG 4 8.792 -8.379 -12.606 14 1HH2 ARG 4 HH21 ARG 4 5.654 -9.748 -11.903 15 2HH2 ARG 4 HH22 ARG 4 6.981 -9.716 -13.014 16 H LYS 5 HN LYS 5 7.136 -2.612 -5.954 17 HA LYS 5 HA LYS 5 5.854 -3.846 -3.869 18 1HB LYS 5 HB2 LYS 5 7.245 -1.421 -4.305 19 2HB LYS 5 HB1 LYS 5 5.755 -1.004 -3.472 20 1HG LYS 5 HG2 LYS 5 7.923 -1.576 -2.146 21 2HG LYS 5 HG1 LYS 5 6.347 -2.107 -1.568 22 1HD LYS 5 HD2 LYS 5 7.583 -4.007 -3.390 23 2HD LYS 5 HD1 LYS 5 8.563 -3.701 -1.957 24 1HE LYS 5 HE2 LYS 5 7.043 -4.642 -0.552 25 2HE LYS 5 HE1 LYS 5 5.668 -4.142 -1.535 26 1HZ LYS 5 HZ1 LYS 5 7.352 -6.531 -1.772 27 2HZ LYS 5 HZ2 LYS 5 6.662 -5.893 -3.177 28 3HZ LYS 5 HZ3 LYS 5 5.670 -6.381 -1.898 29 H ARG 6 HN ARG 6 4.057 -2.759 -2.506 30 HA ARG 6 HA ARG 6 1.883 -2.018 -4.327 31 1HB ARG 6 HB2 ARG 6 1.164 -3.528 -1.874 32 2HB ARG 6 HB1 ARG 6 0.408 -3.534 -3.466 33 1HG ARG 6 HG2 ARG 6 2.805 -4.687 -4.019 34 2HG ARG 6 HG1 ARG 6 2.518 -5.249 -2.368 35 1HD ARG 6 HD2 ARG 6 0.492 -5.461 -4.588 36 2HD ARG 6 HD1 ARG 6 1.626 -6.746 -4.175 37 HE ARG 6 HE ARG 6 -0.742 -5.987 -2.729 38 1HH1 ARG 6 HH11 ARG 6 2.370 -7.551 -2.513 39 2HH1 ARG 6 HH12 ARG 6 1.931 -8.513 -1.142 40 1HH2 ARG 6 HH21 ARG 6 -1.321 -7.250 -0.925 41 2HH2 ARG 6 HH22 ARG 6 -0.166 -8.344 -0.241 42 H ILE 7 HN ILE 7 1.403 0.029 -3.928 43 HA ILE 7 HA ILE 7 0.918 0.831 -1.146 44 HB ILE 7 HB ILE 7 2.364 2.580 -3.141 45 1HG1 ILE 7 HG12 ILE 7 3.576 1.419 -0.642 46 2HG1 ILE 7 HG11 ILE 7 3.617 0.532 -2.169 47 1HG2 ILE 7 HG21 ILE 7 2.828 3.798 -0.863 48 2HG2 ILE 7 HG22 ILE 7 1.354 2.966 -0.366 49 3HG2 ILE 7 HG23 ILE 7 1.323 4.068 -1.742 50 1HD1 ILE 7 HD11 ILE 7 5.126 2.903 -1.309 51 2HD1 ILE 7 HD12 ILE 7 4.561 2.914 -2.980 52 3HD1 ILE 7 HD13 ILE 7 5.579 1.594 -2.402 53 H HIS 8 HN HIS 8 -1.183 1.285 -1.078 54 HA HIS 8 HA HIS 8 -2.289 3.200 -2.964 55 1HB HIS 8 HB2 HIS 8 -3.761 0.605 -2.515 56 2HB HIS 8 HB1 HIS 8 -4.098 1.863 -3.709 57 HD1 HIS 8 HD1 HIS 8 -2.098 2.121 -5.584 58 HD2 HIS 8 HD2 HIS 8 -2.322 -1.464 -3.496 59 HE1 HIS 8 HE1 HIS 8 -0.799 0.462 -6.956 60 HE2 HIS 8 HE2 HIS 8 -0.874 -1.678 -5.629 61 H ILE 9 HN ILE 9 -3.556 4.606 -1.928 62 HA ILE 9 HA ILE 9 -4.411 3.936 0.798 63 HB ILE 9 HB ILE 9 -4.619 6.704 -0.312 64 1HG1 ILE 9 HG12 ILE 9 -2.359 6.043 -0.926 65 2HG1 ILE 9 HG11 ILE 9 -2.297 7.155 0.442 66 1HG2 ILE 9 HG21 ILE 9 -5.492 6.677 1.802 67 2HG2 ILE 9 HG22 ILE 9 -3.807 7.046 2.168 68 3HG2 ILE 9 HG23 ILE 9 -4.408 5.399 2.353 69 1HD1 ILE 9 HD11 ILE 9 -0.736 5.482 0.921 70 2HD1 ILE 9 HD12 ILE 9 -1.833 4.194 0.421 71 3HD1 ILE 9 HD13 ILE 9 -2.142 5.090 1.909 72 H GLY 10 HN GLY 10 -6.510 3.829 1.368 73 1HA GLY 10 HA2 GLY 10 -8.501 4.528 -0.704 74 2HA GLY 10 HA1 GLY 10 -8.645 3.105 0.321 75 HA PRO 11 HA PRO 11 -11.214 6.449 2.248 76 1HB PRO 11 HB2 PRO 11 -12.943 4.160 2.910 77 2HB PRO 11 HB1 PRO 11 -13.342 5.663 2.070 78 1HG PRO 11 HG2 PRO 11 -13.231 3.311 0.780 79 2HG PRO 11 HG1 PRO 11 -12.738 4.829 0.006 80 1HD PRO 11 HD2 PRO 11 -11.035 2.675 1.213 81 2HD PRO 11 HD1 PRO 11 -10.802 3.582 -0.298 82 H GLY 12 HN GLY 12 -9.045 5.909 3.573 83 1HA GLY 12 HA2 GLY 12 -8.383 5.941 5.810 84 2HA GLY 12 HA1 GLY 12 -9.968 5.328 6.263 85 H ARG 13 HN ARG 13 -8.409 3.667 3.719 86 HA ARG 13 HA ARG 13 -7.561 1.542 5.571 87 1HB ARG 13 HB2 ARG 13 -8.071 0.223 3.214 88 2HB ARG 13 HB1 ARG 13 -9.157 0.292 4.598 89 1HG ARG 13 HG2 ARG 13 -9.270 2.416 2.492 90 2HG ARG 13 HG1 ARG 13 -10.053 0.852 2.236 91 1HD ARG 13 HD2 ARG 13 -10.526 2.619 4.629 92 2HD ARG 13 HD1 ARG 13 -11.542 2.613 3.184 93 HE ARG 13 HE ARG 13 -11.597 0.734 5.319 94 1HH1 ARG 13 HH11 ARG 13 -12.010 1.013 1.864 95 2HH1 ARG 13 HH12 ARG 13 -13.072 -0.350 1.756 96 1HH2 ARG 13 HH21 ARG 13 -12.992 -1.059 5.177 97 2HH2 ARG 13 HH22 ARG 13 -13.631 -1.526 3.636 98 H ALA 14 HN ALA 14 -5.503 2.791 5.408 99 HA ALA 14 HA ALA 14 -4.025 3.075 3.066 100 1HB ALA 14 HB1 ALA 14 -2.747 2.463 5.709 101 2HB ALA 14 HB2 ALA 14 -3.554 4.001 5.405 102 3HB ALA 14 HB3 ALA 14 -2.173 3.520 4.418 103 H PHE 15 HN PHE 15 -3.500 1.537 1.666 104 HA PHE 15 HA PHE 15 -2.827 -1.137 2.682 105 1HB PHE 15 HB2 PHE 15 -3.936 -0.165 0.067 106 2HB PHE 15 HB1 PHE 15 -3.114 -1.718 0.159 107 HD1 PHE 15 HD1 PHE 15 -6.156 0.081 0.781 108 HD2 PHE 15 HD2 PHE 15 -4.007 -3.470 1.721 109 HE1 PHE 15 HE1 PHE 15 -8.239 -0.969 1.561 110 HE2 PHE 15 HE2 PHE 15 -6.087 -4.527 2.504 111 HZ PHE 15 HZ PHE 15 -8.207 -3.275 2.425 112 H TYR 16 HN TYR 16 -0.762 0.196 3.219 113 HA TYR 16 HA TYR 16 1.045 0.308 0.916 114 1HB TYR 16 HB2 TYR 16 1.046 2.325 2.213 115 2HB TYR 16 HB1 TYR 16 1.244 1.429 3.714 116 HD1 TYR 16 HD1 TYR 16 3.439 0.143 4.039 117 HD2 TYR 16 HD2 TYR 16 2.914 3.130 1.058 118 HE1 TYR 16 HE1 TYR 16 5.877 0.402 3.880 119 HE2 TYR 16 HE2 TYR 16 5.351 3.397 0.887 120 HH TYR 16 HH TYR 16 7.353 2.541 1.484 121 H THR 17 HN THR 17 2.648 -1.115 0.634 122 HA THR 17 HA THR 17 3.659 -2.672 2.862 123 HB THR 17 HB THR 17 1.672 -3.928 1.943 124 HG1 THR 17 HG1 THR 17 2.679 -5.692 2.480 125 1HG2 THR 17 HG21 THR 17 3.249 -4.967 -0.295 126 2HG2 THR 17 HG22 THR 17 2.599 -3.344 -0.523 127 3HG2 THR 17 HG23 THR 17 1.515 -4.686 -0.154 128 H THR 18 HN THR 18 5.778 -2.585 2.709 129 HA THR 18 HA THR 18 7.040 -2.800 0.067 130 HB THR 18 HB THR 18 8.743 -1.131 0.818 131 HG1 THR 18 HG1 THR 18 6.953 -0.942 2.985 132 1HG2 THR 18 HG21 THR 18 6.875 -0.431 -0.629 133 2HG2 THR 18 HG22 THR 18 7.450 0.850 0.438 134 3HG2 THR 18 HG23 THR 18 5.955 -0.006 0.814 135 H LYS 19 HN LYS 19 8.297 -2.338 3.356 136 HA LYS 19 HA LYS 19 9.729 -4.897 3.069 137 1HB LYS 19 HB2 LYS 19 11.496 -3.971 4.463 138 2HB LYS 19 HB1 LYS 19 11.226 -2.945 3.061 139 1HG LYS 19 HG2 LYS 19 9.586 -2.069 5.245 140 2HG LYS 19 HG1 LYS 19 11.270 -2.192 5.756 141 1HD LYS 19 HD2 LYS 19 11.860 -0.889 3.668 142 2HD LYS 19 HD1 LYS 19 10.133 -0.579 3.484 143 1HE LYS 19 HE2 LYS 19 11.958 0.288 5.710 144 2HE LYS 19 HE1 LYS 19 11.016 1.299 4.614 145 1HZ LYS 19 HZ1 LYS 19 10.150 -0.185 6.982 146 2HZ LYS 19 HZ2 LYS 19 9.048 -0.026 5.710 147 3HZ LYS 19 HZ3 LYS 19 9.694 1.353 6.446
Contact the webmaster for help, if required. Friday, July 5, 2024 1:47:07 AM GMT (wattos1)