NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570936 | 2rt4 | 11524 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -11.347 -5.136 -7.475 2 H2 GLY 1 2HT GLY 1 -11.932 -3.549 -7.519 3 H3 GLY 1 3HT GLY 1 -12.539 -4.642 -6.380 4 HA2 GLY 1 1HA GLY 1 -9.758 -3.608 -6.483 5 HA3 GLY 1 2HA GLY 1 -10.995 -3.093 -5.347 6 H VAL 2 H VAL 2 -8.408 -4.249 -4.760 7 HA VAL 2 HA VAL 2 -9.004 -6.931 -3.796 8 HB VAL 2 HB VAL 2 -6.656 -6.986 -3.066 9 HG11 VAL 2 1HG1 VAL 2 -5.630 -6.909 -5.293 10 HG12 VAL 2 2HG1 VAL 2 -7.038 -6.039 -5.905 11 HG13 VAL 2 3HG1 VAL 2 -7.207 -7.697 -5.324 12 HG21 VAL 2 3HG2 VAL 2 -5.144 -5.154 -3.603 13 HG22 VAL 2 1HG2 VAL 2 -6.414 -4.611 -2.508 14 HG23 VAL 2 2HG2 VAL 2 -6.494 -4.203 -4.220 15 H VAL 3 H VAL 3 -7.894 -7.306 -1.492 16 HA VAL 3 HA VAL 3 -8.433 -5.165 0.379 17 HB VAL 3 HB VAL 3 -10.012 -6.479 1.742 18 HG11 VAL 3 1HG1 VAL 3 -10.850 -4.799 0.168 19 HG12 VAL 3 2HG1 VAL 3 -11.983 -6.136 0.353 20 HG13 VAL 3 3HG1 VAL 3 -10.966 -6.035 -1.085 21 HG21 VAL 3 3HG2 VAL 3 -11.128 -8.437 0.773 22 HG22 VAL 3 1HG2 VAL 3 -9.401 -8.712 0.990 23 HG23 VAL 3 2HG2 VAL 3 -10.043 -8.363 -0.615 24 H ARG 4 H ARG 4 -6.097 -6.587 -0.343 25 HA ARG 4 HA ARG 4 -5.383 -7.656 2.275 26 HB2 ARG 4 2HB ARG 4 -4.985 -9.143 -0.321 27 HB3 ARG 4 1HB ARG 4 -4.132 -9.542 1.164 28 HG2 ARG 4 2HG ARG 4 -7.118 -9.587 0.789 29 HG3 ARG 4 1HG ARG 4 -6.055 -10.994 0.806 30 HD2 ARG 4 2HD ARG 4 -5.385 -10.423 3.109 31 HD3 ARG 4 1HD ARG 4 -6.510 -9.068 3.081 32 HE ARG 4 HE ARG 4 -8.278 -10.543 3.288 33 HH11 ARG 4 1HH1 ARG 4 -5.294 -12.302 2.841 34 HH12 ARG 4 2HH1 ARG 4 -5.982 -13.825 3.290 35 HH21 ARG 4 1HH2 ARG 4 -9.180 -12.545 3.880 36 HH22 ARG 4 2HH2 ARG 4 -8.185 -13.965 3.880 37 H GLN 5 H GLN 5 -3.405 -7.069 2.927 38 HA GLN 5 HA GLN 5 -1.795 -5.486 1.057 39 HB2 GLN 5 2HB GLN 5 -0.712 -4.570 3.059 40 HB3 GLN 5 1HB GLN 5 -2.456 -4.362 3.121 41 HG2 GLN 5 2HG GLN 5 -2.631 -6.288 4.614 42 HG3 GLN 5 1HG GLN 5 -0.880 -6.488 4.556 43 HE21 GLN 5 1HE2 GLN 5 -0.658 -6.195 6.764 44 HE22 GLN 5 2HE2 GLN 5 -0.847 -4.653 7.519 45 H TRP 6 H TRP 6 0.667 -5.546 1.900 46 HA TRP 6 HA TRP 6 1.677 -8.059 2.729 47 HB2 TRP 6 2HB TRP 6 2.578 -8.920 0.687 48 HB3 TRP 6 1HB TRP 6 0.875 -8.594 0.399 49 HD1 TRP 6 HD TRP 6 0.489 -5.985 -0.775 50 HE1 TRP 6 1HE TRP 6 1.779 -5.031 -2.787 51 HE3 TRP 6 3HE TRP 6 4.634 -8.967 -0.567 52 HZ2 TRP 6 2HZ TRP 6 4.231 -5.481 -4.110 53 HZ3 TRP 6 3HZ TRP 6 6.408 -8.641 -2.242 54 HH2 TRP 6 HH TRP 6 6.208 -6.933 -3.977 55 H SER 7 H SER 7 4.156 -7.798 1.111 56 HA SER 7 HA SER 7 5.348 -5.660 2.682 57 HB2 SER 7 2HB SER 7 6.627 -7.788 0.951 58 HB3 SER 7 1HB SER 7 7.500 -6.643 1.967 59 HG SER 7 HG SER 7 6.631 -7.594 3.771 60 H GLY 8 H GLY 8 3.666 -5.092 0.275 61 HA2 GLY 8 2HA GLY 8 5.651 -3.967 -1.563 62 HA3 GLY 8 1HA GLY 8 3.927 -4.105 -1.866 63 H TYR 9 H TYR 9 5.373 -2.781 1.057 64 HA TYR 9 HA TYR 9 4.011 -0.252 0.502 65 HB2 TYR 9 2HB TYR 9 3.563 -1.322 2.668 66 HB3 TYR 9 1HB TYR 9 5.280 -1.272 3.054 67 HD1 TYR 9 1HD TYR 9 2.233 0.744 2.630 68 HD2 TYR 9 2HD TYR 9 6.327 0.765 3.784 69 HE1 TYR 9 1HE TYR 9 1.934 2.973 3.626 70 HE2 TYR 9 2HE TYR 9 6.040 2.994 4.783 71 HH TYR 9 HH TYR 9 2.999 4.380 5.341 72 H ASP 10 H ASP 10 5.099 1.455 -0.202 73 HA ASP 10 HA ASP 10 8.021 1.413 -0.102 74 HB2 ASP 10 2HB ASP 10 6.948 1.794 -2.285 75 HB3 ASP 10 1HB ASP 10 6.152 3.227 -1.642 76 HA PRO 11 HA PRO 11 7.536 4.324 3.335 77 HB2 PRO 11 2HB PRO 11 10.433 4.073 3.614 78 HB3 PRO 11 1HB PRO 11 9.159 3.573 4.738 79 HG2 PRO 11 2HG PRO 11 10.713 1.822 3.392 80 HG3 PRO 11 1HG PRO 11 9.053 1.467 3.907 81 HD2 PRO 11 2HD PRO 11 10.074 2.211 1.206 82 HD3 PRO 11 1HD PRO 11 8.797 1.065 1.658 83 H ARG 12 H ARG 12 9.995 4.404 0.812 84 HA ARG 12 HA ARG 12 10.987 6.965 1.138 85 HB2 ARG 12 2HB ARG 12 10.480 5.492 -1.453 86 HB3 ARG 12 1HB ARG 12 11.528 6.892 -1.270 87 HG2 ARG 12 2HG ARG 12 12.976 5.626 0.226 88 HG3 ARG 12 1HG ARG 12 11.918 4.223 0.067 89 HD2 ARG 12 2HD ARG 12 13.436 5.554 -2.174 90 HD3 ARG 12 1HD ARG 12 13.884 4.043 -1.382 91 HE ARG 12 HE ARG 12 11.256 3.853 -2.386 92 HH11 ARG 12 2HH1 ARG 12 14.571 3.950 -3.472 93 HH12 ARG 12 1HH1 ARG 12 14.259 3.033 -4.907 94 HH21 ARG 12 1HH2 ARG 12 10.843 2.646 -4.272 95 HH22 ARG 12 2HH2 ARG 12 12.142 2.293 -5.362 96 H THR 13 H THR 13 7.924 5.930 -0.181 97 HA THR 13 HA THR 13 7.207 8.756 -0.559 98 HB THR 13 HB THR 13 5.744 8.139 -2.424 99 HG1 THR 13 1HG THR 13 5.216 6.086 -2.480 100 HG21 THR 13 3HG2 THR 13 8.035 8.840 -2.919 101 HG22 THR 13 1HG2 THR 13 7.476 7.643 -4.085 102 HG23 THR 13 2HG2 THR 13 8.580 7.167 -2.794 103 H GLY 14 H GLY 14 6.786 6.499 1.529 104 HA2 GLY 14 2HA GLY 14 5.112 5.762 2.928 105 HA3 GLY 14 1HA GLY 14 4.503 7.396 2.729 106 H THR 15 H THR 15 4.687 5.190 0.028 107 HA THR 15 HA THR 15 1.792 4.720 0.212 108 HB THR 15 HB THR 15 1.650 5.030 -2.276 109 HG1 THR 15 1HG THR 15 3.418 5.492 -3.336 110 HG21 THR 15 3HG2 THR 15 1.577 7.488 -2.179 111 HG22 THR 15 1HG2 THR 15 2.456 7.445 -0.652 112 HG23 THR 15 2HG2 THR 15 0.837 6.753 -0.758 113 H TRP 16 H TRP 16 1.057 2.980 -1.287 114 HA TRP 16 HA TRP 16 2.843 0.726 -1.059 115 HB2 TRP 16 2HB TRP 16 0.015 0.976 -2.096 116 HB3 TRP 16 1HB TRP 16 0.890 -0.549 -1.987 117 HD1 TRP 16 HD TRP 16 -0.961 1.997 0.134 118 HE1 TRP 16 1HE TRP 16 -1.230 1.071 2.519 119 HE3 TRP 16 3HE TRP 16 2.056 -2.111 -0.246 120 HZ2 TRP 16 2HZ TRP 16 -0.287 -1.112 4.041 121 HZ3 TRP 16 3HZ TRP 16 2.320 -3.565 1.722 122 HH2 TRP 16 HH TRP 16 1.172 -3.075 3.821 123 H ARG 17 H ARG 17 2.568 -0.874 -3.103 124 HA ARG 17 HA ARG 17 4.087 0.376 -5.165 125 HB2 ARG 17 2HB ARG 17 2.951 -2.398 -4.859 126 HB3 ARG 17 1HB ARG 17 3.873 -1.903 -6.272 127 HG2 ARG 17 2HG ARG 17 4.886 -1.823 -3.439 128 HG3 ARG 17 1HG ARG 17 5.223 -3.105 -4.603 129 HD2 ARG 17 2HD ARG 17 6.282 -1.455 -6.085 130 HD3 ARG 17 1HD ARG 17 5.970 -0.196 -4.891 131 HE ARG 17 HE ARG 17 7.381 -2.143 -3.559 132 HH11 ARG 17 2HH1 ARG 17 7.918 -0.126 -6.356 133 HH12 ARG 17 1HH1 ARG 17 9.636 -0.079 -6.147 134 HH21 ARG 17 2HH2 ARG 17 9.641 -2.084 -3.284 135 HH22 ARG 17 1HH2 ARG 17 10.614 -1.190 -4.404 136 H SER 18 H SER 18 1.307 -1.715 -5.831 137 HA SER 18 HA SER 18 -0.290 0.308 -7.005 138 HB2 SER 18 2HB SER 18 1.455 0.299 -8.721 139 HB3 SER 18 1HB SER 18 1.268 -1.442 -8.923 140 HG SER 18 HG SER 18 0.065 -0.475 -10.508 141 H SER 19 H SER 19 0.584 -3.122 -7.057 142 HA SER 19 HA SER 19 -1.767 -4.225 -7.987 143 HB2 SER 19 2HB SER 19 -1.147 -6.235 -6.597 144 HB3 SER 19 1HB SER 19 0.143 -5.630 -7.637 145 HG SER 19 HG SER 19 1.290 -5.283 -5.924 146 H ILE 20 H ILE 20 -0.990 -3.152 -4.721 147 HA ILE 20 HA ILE 20 -3.728 -3.781 -3.873 148 HB ILE 20 HB ILE 20 -1.270 -3.099 -2.254 149 HG12 ILE 20 2HG1 ILE 20 -1.646 -5.388 -1.327 150 HG13 ILE 20 1HG1 ILE 20 -2.940 -5.612 -2.499 151 HG21 ILE 20 1HG2 ILE 20 -2.663 -3.488 -0.261 152 HG22 ILE 20 2HG2 ILE 20 -4.086 -3.601 -1.298 153 HG23 ILE 20 3HG2 ILE 20 -3.193 -2.086 -1.189 154 HD11 ILE 20 3HD1 ILE 20 -0.124 -4.973 -3.309 155 HD12 ILE 20 1HD1 ILE 20 -1.435 -5.602 -4.305 156 HD13 ILE 20 2HD1 ILE 20 -0.700 -6.621 -3.068 157 H ALA 21 H ALA 21 -4.977 -2.193 -2.745 158 HA ALA 21 HA ALA 21 -5.061 0.307 -3.966 159 HB1 ALA 21 1HB ALA 21 -6.969 -0.738 -2.821 160 HB2 ALA 21 2HB ALA 21 -6.694 0.921 -2.288 161 HB3 ALA 21 3HB ALA 21 -6.191 -0.427 -1.269 162 H TYR 22 H TYR 22 -3.411 1.690 -3.905 163 HA TYR 22 HA TYR 22 -1.613 1.973 -1.743 164 HB2 TYR 22 2HB TYR 22 -0.710 3.865 -2.970 165 HB3 TYR 22 1HB TYR 22 -1.053 2.547 -4.087 166 HD1 TYR 22 1HD TYR 22 -3.134 2.671 -5.512 167 HD2 TYR 22 2HD TYR 22 -1.726 5.977 -3.231 168 HE1 TYR 22 1HE TYR 22 -4.497 4.191 -6.882 169 HE2 TYR 22 2HE TYR 22 -3.087 7.505 -4.595 170 HH TYR 22 HH TYR 22 -5.515 6.423 -6.700 171 H GLY 23 H GLY 23 -1.264 3.886 -0.442 172 HA2 GLY 23 2HA GLY 23 -1.950 5.778 0.740 173 HA3 GLY 23 1HA GLY 23 -3.477 5.736 -0.126 174 H GLY 24 H GLY 24 -1.651 3.907 2.326 175 HA2 GLY 24 2HA GLY 24 -2.461 3.431 4.493 176 HA3 GLY 24 1HA GLY 24 -4.091 3.768 3.934 177 H GLY 25 H GLY 25 -5.195 2.163 2.682 178 HA2 GLY 25 2HA GLY 25 -5.380 -0.027 1.761 179 HA3 GLY 25 1HA GLY 25 -3.977 -0.509 2.703 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -10.950 -6.077 -7.451 2 H2 GLY 1 2HT GLY 1 -12.446 -6.824 -7.203 3 H3 GLY 1 3HT GLY 1 -11.022 -7.605 -6.729 4 HA2 GLY 1 1HA GLY 1 -12.095 -5.093 -5.565 5 HA3 GLY 1 2HA GLY 1 -12.175 -6.680 -4.815 6 H VAL 2 H VAL 2 -11.086 -5.168 -3.143 7 HA VAL 2 HA VAL 2 -8.206 -5.652 -3.348 8 HB VAL 2 HB VAL 2 -8.503 -3.313 -3.984 9 HG11 VAL 2 1HG1 VAL 2 -9.658 -2.785 -1.262 10 HG12 VAL 2 2HG1 VAL 2 -10.665 -3.063 -2.681 11 HG13 VAL 2 3HG1 VAL 2 -9.555 -1.693 -2.641 12 HG21 VAL 2 3HG2 VAL 2 -7.342 -3.646 -1.220 13 HG22 VAL 2 1HG2 VAL 2 -7.035 -2.288 -2.300 14 HG23 VAL 2 2HG2 VAL 2 -6.502 -3.908 -2.748 15 H VAL 3 H VAL 3 -7.906 -7.075 -1.758 16 HA VAL 3 HA VAL 3 -8.413 -6.289 0.966 17 HB VAL 3 HB VAL 3 -9.671 -8.333 1.569 18 HG11 VAL 3 1HG1 VAL 3 -11.088 -6.673 -0.511 19 HG12 VAL 3 2HG1 VAL 3 -10.823 -6.185 1.163 20 HG13 VAL 3 3HG1 VAL 3 -11.833 -7.585 0.802 21 HG21 VAL 3 3HG2 VAL 3 -9.904 -8.708 -1.415 22 HG22 VAL 3 1HG2 VAL 3 -10.770 -9.639 -0.192 23 HG23 VAL 3 2HG2 VAL 3 -9.013 -9.746 -0.301 24 H ARG 4 H ARG 4 -6.083 -6.822 -0.551 25 HA ARG 4 HA ARG 4 -4.969 -9.000 1.052 26 HB2 ARG 4 2HB ARG 4 -4.553 -8.753 -1.933 27 HB3 ARG 4 1HB ARG 4 -3.762 -9.917 -0.880 28 HG2 ARG 4 2HG ARG 4 -5.911 -10.944 -0.376 29 HG3 ARG 4 1HG ARG 4 -6.724 -9.760 -1.403 30 HD2 ARG 4 2HD ARG 4 -6.421 -11.860 -2.591 31 HD3 ARG 4 1HD ARG 4 -5.466 -10.579 -3.336 32 HE ARG 4 HE ARG 4 -3.828 -11.887 -1.507 33 HH11 ARG 4 1HH1 ARG 4 -5.503 -12.601 -4.485 34 HH12 ARG 4 2HH1 ARG 4 -4.359 -13.801 -4.986 35 HH21 ARG 4 1HH2 ARG 4 -2.321 -13.463 -2.168 36 HH22 ARG 4 2HH2 ARG 4 -2.553 -14.290 -3.671 37 H GLN 5 H GLN 5 -3.484 -7.976 2.230 38 HA GLN 5 HA GLN 5 -1.900 -5.843 0.994 39 HB2 GLN 5 2HB GLN 5 -1.297 -5.183 3.246 40 HB3 GLN 5 1HB GLN 5 -3.044 -5.340 3.124 41 HG2 GLN 5 2HG GLN 5 -2.916 -7.538 4.190 42 HG3 GLN 5 1HG GLN 5 -1.167 -7.361 4.327 43 HE21 GLN 5 1HE2 GLN 5 -0.317 -5.904 5.811 44 HE22 GLN 5 2HE2 GLN 5 -1.262 -5.247 7.100 45 H TRP 6 H TRP 6 0.424 -5.730 1.854 46 HA TRP 6 HA TRP 6 1.757 -8.115 2.589 47 HB2 TRP 6 2HB TRP 6 2.857 -8.710 0.540 48 HB3 TRP 6 1HB TRP 6 1.132 -8.639 0.211 49 HD1 TRP 6 HD TRP 6 0.444 -5.920 -0.690 50 HE1 TRP 6 1HE TRP 6 1.572 -4.714 -2.664 51 HE3 TRP 6 3HE TRP 6 4.814 -8.559 -0.845 52 HZ2 TRP 6 2HZ TRP 6 4.009 -4.862 -4.093 53 HZ3 TRP 6 3HZ TRP 6 6.493 -7.965 -2.544 54 HH2 TRP 6 HH TRP 6 6.095 -6.155 -4.134 55 H SER 7 H SER 7 4.246 -7.472 1.189 56 HA SER 7 HA SER 7 5.011 -5.188 2.832 57 HB2 SER 7 2HB SER 7 6.709 -7.190 1.326 58 HB3 SER 7 1HB SER 7 7.328 -5.919 2.379 59 HG SER 7 HG SER 7 6.274 -6.909 4.114 60 H GLY 8 H GLY 8 3.528 -4.870 0.278 61 HA2 GLY 8 2HA GLY 8 5.393 -3.840 -1.645 62 HA3 GLY 8 1HA GLY 8 3.646 -3.683 -1.699 63 H TYR 9 H TYR 9 3.603 -2.506 1.028 64 HA TYR 9 HA TYR 9 3.471 0.168 0.413 65 HB2 TYR 9 2HB TYR 9 2.523 -0.735 2.462 66 HB3 TYR 9 1HB TYR 9 4.133 -1.089 3.085 67 HD1 TYR 9 2HD TYR 9 1.759 1.616 2.263 68 HD2 TYR 9 1HD TYR 9 5.465 0.614 4.100 69 HE1 TYR 9 2HE TYR 9 1.844 3.846 3.297 70 HE2 TYR 9 1HE TYR 9 5.561 2.840 5.138 71 HH TYR 9 HH TYR 9 2.901 4.939 5.234 72 H ASP 10 H ASP 10 4.942 1.577 -0.225 73 HA ASP 10 HA ASP 10 7.750 1.134 0.496 74 HB2 ASP 10 2HB ASP 10 7.237 1.286 -1.910 75 HB3 ASP 10 1HB ASP 10 6.566 2.895 -1.660 76 HA PRO 11 HA PRO 11 6.736 4.530 3.405 77 HB2 PRO 11 2HB PRO 11 9.140 4.227 4.759 78 HB3 PRO 11 1HB PRO 11 7.634 3.386 5.169 79 HG2 PRO 11 2HG PRO 11 9.983 2.405 3.645 80 HG3 PRO 11 1HG PRO 11 8.937 1.550 4.797 81 HD2 PRO 11 2HD PRO 11 8.713 1.193 2.143 82 HD3 PRO 11 1HD PRO 11 7.307 1.138 3.226 83 H ARG 12 H ARG 12 9.459 3.957 1.320 84 HA ARG 12 HA ARG 12 10.799 6.421 1.727 85 HB2 ARG 12 2HB ARG 12 10.802 4.580 -0.672 86 HB3 ARG 12 1HB ARG 12 11.925 5.907 -0.419 87 HG2 ARG 12 2HG ARG 12 12.770 4.808 1.594 88 HG3 ARG 12 1HG ARG 12 11.644 3.475 1.333 89 HD2 ARG 12 2HD ARG 12 13.839 4.325 -0.554 90 HD3 ARG 12 1HD ARG 12 13.899 2.938 0.533 91 HE ARG 12 HE ARG 12 11.627 2.710 -1.089 92 HH11 ARG 12 2HH1 ARG 12 15.104 2.582 -1.345 93 HH12 ARG 12 1HH1 ARG 12 15.090 1.502 -2.698 94 HH21 ARG 12 1HH2 ARG 12 11.604 1.290 -2.869 95 HH22 ARG 12 2HH2 ARG 12 13.104 0.769 -3.565 96 H THR 13 H THR 13 8.125 5.427 -0.299 97 HA THR 13 HA THR 13 7.952 8.172 -1.342 98 HB THR 13 HB THR 13 6.676 7.274 -3.245 99 HG1 THR 13 1HG THR 13 5.934 5.355 -2.103 100 HG21 THR 13 3HG2 THR 13 8.534 6.142 -4.383 101 HG22 THR 13 1HG2 THR 13 9.342 5.914 -2.833 102 HG23 THR 13 2HG2 THR 13 9.096 7.540 -3.468 103 H GLY 14 H GLY 14 6.792 6.619 1.091 104 HA2 GLY 14 2HA GLY 14 4.803 6.488 2.249 105 HA3 GLY 14 1HA GLY 14 4.597 8.120 1.639 106 H THR 15 H THR 15 4.665 5.284 -0.432 107 HA THR 15 HA THR 15 1.774 5.181 -0.609 108 HB THR 15 HB THR 15 1.712 5.565 -3.044 109 HG1 THR 15 1HG THR 15 3.606 5.469 -3.993 110 HG21 THR 15 3HG2 THR 15 2.899 7.883 -1.512 111 HG22 THR 15 1HG2 THR 15 1.201 7.407 -1.492 112 HG23 THR 15 2HG2 THR 15 1.934 7.991 -2.985 113 H TRP 16 H TRP 16 0.990 3.321 -1.610 114 HA TRP 16 HA TRP 16 2.725 1.068 -1.530 115 HB2 TRP 16 2HB TRP 16 -0.140 1.434 -2.399 116 HB3 TRP 16 1HB TRP 16 0.672 -0.128 -2.472 117 HD1 TRP 16 HD TRP 16 -0.424 2.523 0.112 118 HE1 TRP 16 1HE TRP 16 -0.737 1.350 2.381 119 HE3 TRP 16 3HE TRP 16 1.246 -2.142 -1.148 120 HZ2 TRP 16 2HZ TRP 16 -0.329 -1.212 3.491 121 HZ3 TRP 16 3HZ TRP 16 1.250 -3.897 0.576 122 HH2 TRP 16 HH TRP 16 0.481 -3.440 2.846 123 H ARG 17 H ARG 17 3.301 -0.341 -3.244 124 HA ARG 17 HA ARG 17 3.614 1.055 -5.801 125 HB2 ARG 17 2HB ARG 17 5.398 -0.565 -6.263 126 HB3 ARG 17 1HB ARG 17 5.677 0.286 -4.750 127 HG2 ARG 17 2HG ARG 17 4.815 -1.647 -3.514 128 HG3 ARG 17 1HG ARG 17 4.578 -2.500 -5.040 129 HD2 ARG 17 2HD ARG 17 7.209 -1.503 -3.954 130 HD3 ARG 17 1HD ARG 17 6.660 -3.178 -3.956 131 HE ARG 17 HE ARG 17 6.595 -2.209 -6.585 132 HH11 ARG 17 2HH1 ARG 17 8.912 -3.029 -4.106 133 HH12 ARG 17 1HH1 ARG 17 10.158 -3.449 -5.235 134 HH21 ARG 17 2HH2 ARG 17 8.231 -2.761 -8.070 135 HH22 ARG 17 1HH2 ARG 17 9.772 -3.296 -7.484 136 H SER 18 H SER 18 2.597 -2.048 -4.451 137 HA SER 18 HA SER 18 1.930 -3.263 -6.911 138 HB2 SER 18 2HB SER 18 0.616 -4.853 -5.514 139 HB3 SER 18 1HB SER 18 2.259 -4.613 -4.921 140 HG SER 18 HG SER 18 0.068 -3.123 -3.932 141 H SER 19 H SER 19 -0.477 -4.097 -7.146 142 HA SER 19 HA SER 19 -2.018 -1.810 -7.834 143 HB2 SER 19 2HB SER 19 -2.797 -4.734 -7.764 144 HB3 SER 19 1HB SER 19 -3.734 -3.450 -8.525 145 HG SER 19 HG SER 19 -1.049 -4.018 -9.219 146 H ILE 20 H ILE 20 -1.634 -3.457 -4.911 147 HA ILE 20 HA ILE 20 -4.193 -3.437 -3.808 148 HB ILE 20 HB ILE 20 -1.609 -2.913 -2.334 149 HG12 ILE 20 2HG1 ILE 20 -1.378 -4.950 -3.610 150 HG13 ILE 20 1HG1 ILE 20 -1.640 -5.377 -1.922 151 HG21 ILE 20 1HG2 ILE 20 -4.302 -3.907 -1.419 152 HG22 ILE 20 2HG2 ILE 20 -3.491 -2.414 -0.945 153 HG23 ILE 20 3HG2 ILE 20 -2.839 -3.970 -0.439 154 HD11 ILE 20 3HD1 ILE 20 -3.653 -5.488 -4.153 155 HD12 ILE 20 1HD1 ILE 20 -4.026 -5.778 -2.454 156 HD13 ILE 20 2HD1 ILE 20 -2.914 -6.848 -3.308 157 H ALA 21 H ALA 21 -5.095 -1.964 -2.200 158 HA ALA 21 HA ALA 21 -5.408 0.625 -3.089 159 HB1 ALA 21 1HB ALA 21 -6.420 1.117 -0.936 160 HB2 ALA 21 2HB ALA 21 -5.699 -0.337 -0.246 161 HB3 ALA 21 3HB ALA 21 -6.923 -0.474 -1.508 162 H TYR 22 H TYR 22 -4.144 2.347 -3.114 163 HA TYR 22 HA TYR 22 -1.684 2.343 -1.555 164 HB2 TYR 22 2HB TYR 22 -0.991 4.195 -2.974 165 HB3 TYR 22 1HB TYR 22 -1.590 2.870 -3.968 166 HD1 TYR 22 2HD TYR 22 -3.910 3.043 -4.945 167 HD2 TYR 22 1HD TYR 22 -1.973 6.338 -3.078 168 HE1 TYR 22 2HE TYR 22 -5.472 4.583 -6.056 169 HE2 TYR 22 1HE TYR 22 -3.531 7.887 -4.181 170 HH TYR 22 HH TYR 22 -4.982 7.937 -6.165 171 H GLY 23 H GLY 23 -0.979 4.344 -0.480 172 HA2 GLY 23 2HA GLY 23 -1.348 6.273 0.775 173 HA3 GLY 23 1HA GLY 23 -3.043 6.216 0.320 174 H GLY 24 H GLY 24 -4.014 3.941 1.222 175 HA2 GLY 24 2HA GLY 24 -3.687 4.204 4.121 176 HA3 GLY 24 1HA GLY 24 -5.037 3.437 3.297 177 H GLY 25 H GLY 25 -5.110 1.299 3.436 178 HA2 GLY 25 2HA GLY 25 -3.286 -0.573 2.805 179 HA3 GLY 25 1HA GLY 25 -2.809 -0.146 4.441 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -13.825 -2.136 0.071 2 H2 GLY 1 2HT GLY 1 -15.089 -3.118 -0.472 3 H3 GLY 1 3HT GLY 1 -13.673 -2.981 -1.387 4 HA2 GLY 1 1HA GLY 1 -13.894 -4.217 1.304 5 HA3 GLY 1 2HA GLY 1 -13.726 -5.090 -0.212 6 H VAL 2 H VAL 2 -12.018 -4.891 2.258 7 HA VAL 2 HA VAL 2 -9.576 -3.696 1.202 8 HB VAL 2 HB VAL 2 -10.131 -3.297 3.559 9 HG11 VAL 2 1HG1 VAL 2 -9.975 -5.129 5.190 10 HG12 VAL 2 2HG1 VAL 2 -9.809 -6.280 3.865 11 HG13 VAL 2 3HG1 VAL 2 -11.303 -5.362 4.054 12 HG21 VAL 2 3HG2 VAL 2 -7.957 -3.897 4.520 13 HG22 VAL 2 1HG2 VAL 2 -7.794 -3.268 2.879 14 HG23 VAL 2 2HG2 VAL 2 -7.673 -5.002 3.175 15 H VAL 3 H VAL 3 -7.881 -4.815 0.427 16 HA VAL 3 HA VAL 3 -8.175 -7.727 0.229 17 HB VAL 3 HB VAL 3 -6.511 -7.601 -1.580 18 HG11 VAL 3 1HG1 VAL 3 -8.873 -7.426 -2.131 19 HG12 VAL 3 2HG1 VAL 3 -7.906 -6.428 -3.217 20 HG13 VAL 3 3HG1 VAL 3 -8.810 -5.678 -1.903 21 HG21 VAL 3 3HG2 VAL 3 -5.727 -5.474 -2.421 22 HG22 VAL 3 1HG2 VAL 3 -5.280 -5.644 -0.723 23 HG23 VAL 3 2HG2 VAL 3 -6.638 -4.616 -1.178 24 H ARG 4 H ARG 4 -5.729 -8.678 -0.118 25 HA ARG 4 HA ARG 4 -4.602 -8.567 2.504 26 HB2 ARG 4 2HB ARG 4 -3.537 -9.938 0.031 27 HB3 ARG 4 1HB ARG 4 -3.033 -10.246 1.687 28 HG2 ARG 4 2HG ARG 4 -5.728 -10.812 0.473 29 HG3 ARG 4 1HG ARG 4 -4.520 -11.986 1.003 30 HD2 ARG 4 2HD ARG 4 -5.930 -10.016 2.798 31 HD3 ARG 4 1HD ARG 4 -6.376 -11.712 2.613 32 HE ARG 4 HE ARG 4 -3.671 -11.577 3.317 33 HH11 ARG 4 1HH1 ARG 4 -6.805 -10.920 4.702 34 HH12 ARG 4 2HH1 ARG 4 -6.292 -11.234 6.327 35 HH21 ARG 4 1HH2 ARG 4 -2.993 -11.991 5.450 36 HH22 ARG 4 2HH2 ARG 4 -4.127 -11.842 6.751 37 H GLN 5 H GLN 5 -2.575 -7.869 3.145 38 HA GLN 5 HA GLN 5 -1.422 -5.774 1.452 39 HB2 GLN 5 2HB GLN 5 -2.107 -5.078 3.684 40 HB3 GLN 5 1HB GLN 5 -1.110 -6.332 4.408 41 HG2 GLN 5 2HG GLN 5 0.894 -5.239 3.557 42 HG3 GLN 5 1HG GLN 5 -0.098 -3.990 2.807 43 HE21 GLN 5 1HE2 GLN 5 1.130 -5.278 5.789 44 HE22 GLN 5 2HE2 GLN 5 0.729 -3.920 6.778 45 H TRP 6 H TRP 6 0.941 -5.527 1.439 46 HA TRP 6 HA TRP 6 2.640 -7.661 2.231 47 HB2 TRP 6 2HB TRP 6 3.190 -8.631 0.116 48 HB3 TRP 6 1HB TRP 6 1.436 -8.655 0.244 49 HD1 TRP 6 HD TRP 6 0.489 -6.007 -0.858 50 HE1 TRP 6 1HE TRP 6 0.963 -5.254 -3.273 51 HE3 TRP 6 3HE TRP 6 4.545 -8.954 -1.843 52 HZ2 TRP 6 2HZ TRP 6 2.814 -5.831 -5.324 53 HZ3 TRP 6 3HZ TRP 6 5.610 -8.794 -4.057 54 HH2 TRP 6 HH TRP 6 4.762 -7.264 -5.760 55 H SER 7 H SER 7 4.659 -7.305 0.258 56 HA SER 7 HA SER 7 6.009 -5.087 1.247 57 HB2 SER 7 2HB SER 7 7.159 -6.952 0.165 58 HB3 SER 7 1HB SER 7 6.430 -6.525 -1.383 59 HG SER 7 HG SER 7 8.668 -5.589 -0.310 60 H GLY 8 H GLY 8 3.549 -5.217 -1.143 61 HA2 GLY 8 2HA GLY 8 4.067 -3.210 -2.908 62 HA3 GLY 8 1HA GLY 8 2.471 -3.503 -2.239 63 H TYR 9 H TYR 9 3.404 -2.823 0.498 64 HA TYR 9 HA TYR 9 2.955 0.015 0.298 65 HB2 TYR 9 2HB TYR 9 1.845 -1.212 2.071 66 HB3 TYR 9 1HB TYR 9 3.390 -1.785 2.691 67 HD1 TYR 9 2HD TYR 9 1.738 1.477 1.880 68 HD2 TYR 9 1HD TYR 9 4.214 -0.717 4.557 69 HE1 TYR 9 2HE TYR 9 1.866 3.436 3.359 70 HE2 TYR 9 1HE TYR 9 4.350 1.237 6.042 71 HH TYR 9 HH TYR 9 4.099 3.680 5.900 72 H ASP 10 H ASP 10 4.518 1.439 0.002 73 HA ASP 10 HA ASP 10 7.236 0.768 0.897 74 HB2 ASP 10 2HB ASP 10 6.313 2.714 -1.224 75 HB3 ASP 10 1HB ASP 10 7.990 2.462 -0.751 76 HA PRO 11 HA PRO 11 5.995 3.920 4.000 77 HB2 PRO 11 2HB PRO 11 8.197 3.335 5.592 78 HB3 PRO 11 1HB PRO 11 6.605 2.570 5.741 79 HG2 PRO 11 2HG PRO 11 9.059 1.566 4.411 80 HG3 PRO 11 1HG PRO 11 7.833 0.688 5.345 81 HD2 PRO 11 2HD PRO 11 7.908 0.579 2.665 82 HD3 PRO 11 1HD PRO 11 6.376 0.546 3.563 83 H ARG 12 H ARG 12 8.892 3.393 2.171 84 HA ARG 12 HA ARG 12 10.307 5.717 2.995 85 HB2 ARG 12 2HB ARG 12 10.560 4.313 0.334 86 HB3 ARG 12 1HB ARG 12 11.775 5.283 1.154 87 HG2 ARG 12 2HG ARG 12 11.933 3.594 2.916 88 HG3 ARG 12 1HG ARG 12 10.722 2.619 2.080 89 HD2 ARG 12 2HD ARG 12 12.258 2.621 0.086 90 HD3 ARG 12 1HD ARG 12 13.484 3.345 1.128 91 HE ARG 12 HE ARG 12 12.340 0.911 2.157 92 HH11 ARG 12 2HH1 ARG 12 14.844 2.291 0.156 93 HH12 ARG 12 1HH1 ARG 12 15.895 0.923 0.311 94 HH21 ARG 12 1HH2 ARG 12 13.723 -0.888 2.364 95 HH22 ARG 12 2HH2 ARG 12 15.259 -0.881 1.563 96 H THR 13 H THR 13 8.134 4.995 0.294 97 HA THR 13 HA THR 13 8.169 7.824 -0.461 98 HB THR 13 HB THR 13 7.256 7.194 -2.582 99 HG1 THR 13 1HG THR 13 5.792 5.604 -2.066 100 HG21 THR 13 3HG2 THR 13 9.352 5.179 -1.751 101 HG22 THR 13 1HG2 THR 13 9.657 6.813 -2.346 102 HG23 THR 13 2HG2 THR 13 8.941 5.605 -3.414 103 H GLY 14 H GLY 14 6.605 6.278 1.736 104 HA2 GLY 14 2HA GLY 14 4.502 6.317 2.672 105 HA3 GLY 14 1HA GLY 14 4.462 7.951 2.033 106 H THR 15 H THR 15 4.661 5.181 -0.077 107 HA THR 15 HA THR 15 1.799 5.217 -0.593 108 HB THR 15 HB THR 15 2.103 5.525 -3.025 109 HG1 THR 15 1HG THR 15 4.151 6.372 -3.724 110 HG21 THR 15 3HG2 THR 15 2.507 7.944 -2.980 111 HG22 THR 15 1HG2 THR 15 3.181 7.801 -1.357 112 HG23 THR 15 2HG2 THR 15 1.477 7.441 -1.639 113 H TRP 16 H TRP 16 1.070 3.432 -1.857 114 HA TRP 16 HA TRP 16 2.703 1.080 -1.476 115 HB2 TRP 16 2HB TRP 16 -0.083 1.415 -2.605 116 HB3 TRP 16 1HB TRP 16 0.692 -0.133 -2.278 117 HD1 TRP 16 HD TRP 16 0.169 3.068 -0.118 118 HE1 TRP 16 1HE TRP 16 -0.747 2.325 2.169 119 HE3 TRP 16 3HE TRP 16 -0.043 -1.974 -0.926 120 HZ2 TRP 16 2HZ TRP 16 -1.464 -0.081 3.461 121 HZ3 TRP 16 3HZ TRP 16 -0.855 -3.425 0.885 122 HH2 TRP 16 HH TRP 16 -1.551 -2.498 3.033 123 H ARG 17 H ARG 17 2.261 -0.600 -3.460 124 HA ARG 17 HA ARG 17 3.720 0.596 -5.665 125 HB2 ARG 17 2HB ARG 17 3.015 -2.254 -4.985 126 HB3 ARG 17 1HB ARG 17 3.819 -1.804 -6.482 127 HG2 ARG 17 2HG ARG 17 4.876 -1.268 -3.714 128 HG3 ARG 17 1HG ARG 17 5.385 -2.589 -4.767 129 HD2 ARG 17 2HD ARG 17 6.135 -0.949 -6.435 130 HD3 ARG 17 1HD ARG 17 5.656 0.358 -5.352 131 HE ARG 17 HE ARG 17 7.423 -1.328 -3.985 132 HH11 ARG 17 2HH1 ARG 17 7.431 0.919 -6.657 133 HH12 ARG 17 1HH1 ARG 17 9.092 1.358 -6.446 134 HH21 ARG 17 2HH2 ARG 17 9.609 -0.750 -3.706 135 HH22 ARG 17 1HH2 ARG 17 10.329 0.411 -4.771 136 H SER 18 H SER 18 1.223 -1.912 -5.866 137 HA SER 18 HA SER 18 -0.668 -0.303 -7.230 138 HB2 SER 18 2HB SER 18 0.988 -0.371 -9.029 139 HB3 SER 18 1HB SER 18 1.016 -2.133 -8.956 140 HG SER 18 HG SER 18 -1.209 -2.094 -9.550 141 H SER 19 H SER 19 0.630 -3.564 -6.787 142 HA SER 19 HA SER 19 -1.566 -5.096 -7.419 143 HB2 SER 19 2HB SER 19 0.599 -6.068 -6.829 144 HB3 SER 19 1HB SER 19 0.395 -5.545 -5.157 145 HG SER 19 HG SER 19 -1.441 -6.918 -5.046 146 H ILE 20 H ILE 20 -0.940 -3.302 -4.459 147 HA ILE 20 HA ILE 20 -3.673 -3.956 -3.561 148 HB ILE 20 HB ILE 20 -1.337 -3.223 -1.790 149 HG12 ILE 20 2HG1 ILE 20 -0.949 -5.413 -2.760 150 HG13 ILE 20 1HG1 ILE 20 -1.420 -5.602 -1.075 151 HG21 ILE 20 1HG2 ILE 20 -2.866 -4.049 0.009 152 HG22 ILE 20 2HG2 ILE 20 -4.152 -4.105 -1.194 153 HG23 ILE 20 3HG2 ILE 20 -3.399 -2.566 -0.784 154 HD11 ILE 20 3HD1 ILE 20 -2.493 -7.265 -2.464 155 HD12 ILE 20 1HD1 ILE 20 -3.199 -6.000 -3.467 156 HD13 ILE 20 2HD1 ILE 20 -3.692 -6.165 -1.783 157 H ALA 21 H ALA 21 -4.782 -2.264 -2.363 158 HA ALA 21 HA ALA 21 -4.912 0.158 -3.650 159 HB1 ALA 21 1HB ALA 21 -6.646 -0.685 -2.141 160 HB2 ALA 21 2HB ALA 21 -6.198 0.976 -1.754 161 HB3 ALA 21 3HB ALA 21 -5.600 -0.352 -0.760 162 H TYR 22 H TYR 22 -3.860 2.059 -3.581 163 HA TYR 22 HA TYR 22 -1.598 2.271 -1.720 164 HB2 TYR 22 2HB TYR 22 -0.631 3.862 -3.309 165 HB3 TYR 22 1HB TYR 22 -1.012 2.339 -4.105 166 HD1 TYR 22 1HD TYR 22 -3.037 2.195 -5.570 167 HD2 TYR 22 2HD TYR 22 -1.635 5.893 -4.005 168 HE1 TYR 22 1HE TYR 22 -4.356 3.402 -7.258 169 HE2 TYR 22 2HE TYR 22 -2.952 7.111 -5.687 170 HH TYR 22 HH TYR 22 -5.350 5.626 -7.574 171 H GLY 23 H GLY 23 -1.038 4.472 -0.978 172 HA2 GLY 23 2HA GLY 23 -1.585 6.599 -0.196 173 HA3 GLY 23 1HA GLY 23 -3.177 6.425 -0.917 174 H GLY 24 H GLY 24 -1.479 4.399 1.462 175 HA2 GLY 24 2HA GLY 24 -2.092 4.785 3.860 176 HA3 GLY 24 1HA GLY 24 -3.752 4.869 3.292 177 H GLY 25 H GLY 25 -4.855 2.985 2.783 178 HA2 GLY 25 2HA GLY 25 -4.957 0.632 2.361 179 HA3 GLY 25 1HA GLY 25 -3.408 0.454 3.171 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -9.024 -3.890 -6.728 2 H2 GLY 1 2HT GLY 1 -10.404 -4.767 -7.160 3 H3 GLY 1 3HT GLY 1 -9.006 -5.581 -6.666 4 HA2 GLY 1 1HA GLY 1 -10.677 -3.811 -4.967 5 HA3 GLY 1 2HA GLY 1 -10.659 -5.566 -4.903 6 H VAL 2 H VAL 2 -10.202 -4.508 -2.581 7 HA VAL 2 HA VAL 2 -7.320 -4.865 -2.182 8 HB VAL 2 HB VAL 2 -7.687 -2.453 -2.151 9 HG11 VAL 2 1HG1 VAL 2 -9.493 -2.809 0.223 10 HG12 VAL 2 2HG1 VAL 2 -10.115 -2.685 -1.422 11 HG13 VAL 2 3HG1 VAL 2 -9.193 -1.352 -0.725 12 HG21 VAL 2 3HG2 VAL 2 -6.005 -3.415 -0.655 13 HG22 VAL 2 1HG2 VAL 2 -7.216 -3.554 0.619 14 HG23 VAL 2 2HG2 VAL 2 -6.729 -1.963 0.034 15 H VAL 3 H VAL 3 -7.307 -6.741 -1.102 16 HA VAL 3 HA VAL 3 -8.474 -6.833 1.531 17 HB VAL 3 HB VAL 3 -9.646 -8.998 1.151 18 HG11 VAL 3 1HG1 VAL 3 -10.861 -6.852 1.238 19 HG12 VAL 3 2HG1 VAL 3 -11.655 -8.042 0.207 20 HG13 VAL 3 3HG1 VAL 3 -10.726 -6.729 -0.517 21 HG21 VAL 3 3HG2 VAL 3 -9.227 -8.333 -1.762 22 HG22 VAL 3 1HG2 VAL 3 -10.245 -9.632 -1.141 23 HG23 VAL 3 2HG2 VAL 3 -8.500 -9.680 -0.886 24 H ARG 4 H ARG 4 -5.843 -6.900 0.396 25 HA ARG 4 HA ARG 4 -4.740 -9.024 1.905 26 HB2 ARG 4 2HB ARG 4 -3.604 -10.153 -0.078 27 HB3 ARG 4 1HB ARG 4 -5.309 -10.507 0.166 28 HG2 ARG 4 2HG ARG 4 -5.898 -8.901 -1.574 29 HG3 ARG 4 1HG ARG 4 -4.187 -8.538 -1.817 30 HD2 ARG 4 2HD ARG 4 -5.509 -11.219 -2.223 31 HD3 ARG 4 1HD ARG 4 -5.014 -10.107 -3.498 32 HE ARG 4 HE ARG 4 -2.751 -10.591 -2.009 33 HH11 ARG 4 1HH1 ARG 4 -5.013 -12.509 -3.847 34 HH12 ARG 4 2HH1 ARG 4 -3.840 -13.711 -4.273 35 HH21 ARG 4 1HH2 ARG 4 -1.207 -12.169 -2.567 36 HH22 ARG 4 2HH2 ARG 4 -1.680 -13.518 -3.546 37 H GLN 5 H GLN 5 -3.041 -8.033 2.750 38 HA GLN 5 HA GLN 5 -1.573 -6.081 1.131 39 HB2 GLN 5 2HB GLN 5 -2.332 -5.207 3.235 40 HB3 GLN 5 1HB GLN 5 -1.655 -6.574 4.108 41 HG2 GLN 5 2HG GLN 5 0.583 -5.848 3.605 42 HG3 GLN 5 1HG GLN 5 -0.031 -4.548 2.586 43 HE21 GLN 5 1HE2 GLN 5 0.988 -2.962 3.794 44 HE22 GLN 5 2HE2 GLN 5 0.447 -2.507 5.371 45 H TRP 6 H TRP 6 0.790 -6.008 1.369 46 HA TRP 6 HA TRP 6 2.125 -8.455 2.150 47 HB2 TRP 6 2HB TRP 6 3.045 -8.971 -0.010 48 HB3 TRP 6 1HB TRP 6 1.303 -8.829 -0.201 49 HD1 TRP 6 HD TRP 6 0.554 -6.167 -1.022 50 HE1 TRP 6 1HE TRP 6 1.614 -4.825 -2.945 51 HE3 TRP 6 3HE TRP 6 5.021 -8.627 -1.351 52 HZ2 TRP 6 2HZ TRP 6 4.031 -4.814 -4.410 53 HZ3 TRP 6 3HZ TRP 6 6.652 -7.889 -3.040 54 HH2 TRP 6 HH TRP 6 6.166 -6.023 -4.536 55 H SER 7 H SER 7 4.498 -7.741 0.502 56 HA SER 7 HA SER 7 5.472 -5.600 2.229 57 HB2 SER 7 2HB SER 7 6.800 -7.652 2.134 58 HB3 SER 7 1HB SER 7 6.961 -7.486 0.387 59 HG SER 7 HG SER 7 8.362 -5.884 0.648 60 H GLY 8 H GLY 8 3.698 -4.924 0.051 61 HA2 GLY 8 2HA GLY 8 5.417 -3.725 -1.975 62 HA3 GLY 8 1HA GLY 8 3.662 -3.738 -1.976 63 H TYR 9 H TYR 9 3.525 -2.759 0.804 64 HA TYR 9 HA TYR 9 3.245 -0.042 0.329 65 HB2 TYR 9 2HB TYR 9 2.172 -1.151 2.216 66 HB3 TYR 9 1HB TYR 9 3.739 -1.453 2.959 67 HD1 TYR 9 1HD TYR 9 1.611 1.369 1.756 68 HD2 TYR 9 2HD TYR 9 4.532 0.037 4.546 69 HE1 TYR 9 1HE TYR 9 1.454 3.521 2.938 70 HE2 TYR 9 2HE TYR 9 4.385 2.184 5.736 71 HH TYR 9 HH TYR 9 3.709 4.510 5.263 72 H ASP 10 H ASP 10 4.728 1.427 -0.144 73 HA ASP 10 HA ASP 10 7.466 1.064 0.835 74 HB2 ASP 10 2HB ASP 10 7.174 1.343 -1.595 75 HB3 ASP 10 1HB ASP 10 6.411 2.907 -1.320 76 HA PRO 11 HA PRO 11 6.305 4.289 3.800 77 HB2 PRO 11 2HB PRO 11 8.979 3.800 4.899 78 HB3 PRO 11 1HB PRO 11 7.397 3.572 5.664 79 HG2 PRO 11 2HG PRO 11 8.989 1.519 4.965 80 HG3 PRO 11 1HG PRO 11 7.218 1.414 4.985 81 HD2 PRO 11 2HD PRO 11 9.065 1.723 2.666 82 HD3 PRO 11 1HD PRO 11 7.558 0.795 2.799 83 H ARG 12 H ARG 12 9.409 3.944 2.162 84 HA ARG 12 HA ARG 12 10.483 6.459 2.585 85 HB2 ARG 12 2HB ARG 12 10.681 4.754 0.096 86 HB3 ARG 12 1HB ARG 12 11.744 6.096 0.491 87 HG2 ARG 12 2HG ARG 12 12.544 4.914 2.454 88 HG3 ARG 12 1HG ARG 12 11.438 3.581 2.118 89 HD2 ARG 12 2HD ARG 12 13.679 4.508 0.325 90 HD3 ARG 12 1HD ARG 12 13.719 3.087 1.368 91 HE ARG 12 HE ARG 12 11.505 3.000 -0.409 92 HH11 ARG 12 2HH1 ARG 12 14.958 2.517 -0.260 93 HH12 ARG 12 1HH1 ARG 12 14.984 1.393 -1.576 94 HH21 ARG 12 1HH2 ARG 12 11.537 1.520 -2.142 95 HH22 ARG 12 2HH2 ARG 12 13.042 0.827 -2.645 96 H THR 13 H THR 13 7.917 5.484 0.418 97 HA THR 13 HA THR 13 7.698 8.277 -0.483 98 HB THR 13 HB THR 13 6.629 7.465 -2.546 99 HG1 THR 13 1HG THR 13 7.154 4.938 -1.361 100 HG21 THR 13 3HG2 THR 13 9.329 6.218 -2.011 101 HG22 THR 13 1HG2 THR 13 9.037 7.872 -2.551 102 HG23 THR 13 2HG2 THR 13 8.632 6.517 -3.603 103 H GLY 14 H GLY 14 6.417 6.393 1.684 104 HA2 GLY 14 2HA GLY 14 4.341 6.073 2.639 105 HA3 GLY 14 1HA GLY 14 4.132 7.763 2.213 106 H THR 15 H THR 15 4.487 5.255 -0.205 107 HA THR 15 HA THR 15 1.608 5.201 -0.674 108 HB THR 15 HB THR 15 1.917 5.640 -3.100 109 HG1 THR 15 1HG THR 15 3.932 6.688 -3.680 110 HG21 THR 15 3HG2 THR 15 1.145 7.432 -1.641 111 HG22 THR 15 1HG2 THR 15 2.198 8.078 -2.901 112 HG23 THR 15 2HG2 THR 15 2.812 7.863 -1.261 113 H TRP 16 H TRP 16 0.903 3.457 -1.966 114 HA TRP 16 HA TRP 16 2.600 1.134 -1.775 115 HB2 TRP 16 2HB TRP 16 -0.213 1.484 -2.825 116 HB3 TRP 16 1HB TRP 16 0.596 -0.068 -2.637 117 HD1 TRP 16 HD TRP 16 -0.197 2.959 -0.321 118 HE1 TRP 16 1HE TRP 16 -0.933 2.031 1.962 119 HE3 TRP 16 3HE TRP 16 0.306 -2.040 -1.275 120 HZ2 TRP 16 2HZ TRP 16 -1.257 -0.484 3.197 121 HZ3 TRP 16 3HZ TRP 16 -0.237 -3.640 0.514 122 HH2 TRP 16 HH TRP 16 -1.003 -2.876 2.703 123 H ARG 17 H ARG 17 2.446 -0.437 -3.762 124 HA ARG 17 HA ARG 17 2.929 1.078 -6.231 125 HB2 ARG 17 2HB ARG 17 4.836 -0.431 -6.734 126 HB3 ARG 17 1HB ARG 17 5.108 0.589 -5.328 127 HG2 ARG 17 2HG ARG 17 4.553 -1.287 -3.861 128 HG3 ARG 17 1HG ARG 17 4.292 -2.310 -5.276 129 HD2 ARG 17 2HD ARG 17 6.505 -2.677 -4.313 130 HD3 ARG 17 1HD ARG 17 6.617 -2.003 -5.939 131 HE ARG 17 HE ARG 17 6.683 0.105 -4.101 132 HH11 ARG 17 2HH1 ARG 17 8.646 -2.605 -5.095 133 HH12 ARG 17 1HH1 ARG 17 10.139 -1.836 -4.674 134 HH21 ARG 17 2HH2 ARG 17 8.646 1.117 -3.546 135 HH22 ARG 17 1HH2 ARG 17 10.141 0.276 -3.794 136 H SER 18 H SER 18 2.286 -2.089 -4.806 137 HA SER 18 HA SER 18 1.663 -3.405 -7.226 138 HB2 SER 18 2HB SER 18 2.209 -4.596 -5.123 139 HB3 SER 18 1HB SER 18 0.682 -4.045 -4.435 140 HG SER 18 HG SER 18 0.590 -6.180 -5.337 141 H SER 19 H SER 19 -0.750 -4.579 -6.995 142 HA SER 19 HA SER 19 -2.516 -2.563 -7.932 143 HB2 SER 19 2HB SER 19 -3.067 -5.449 -7.202 144 HB3 SER 19 1HB SER 19 -4.170 -4.396 -8.089 145 HG SER 19 HG SER 19 -1.532 -4.923 -8.967 146 H ILE 20 H ILE 20 -1.736 -3.594 -4.802 147 HA ILE 20 HA ILE 20 -4.211 -3.405 -3.491 148 HB ILE 20 HB ILE 20 -1.496 -2.714 -2.360 149 HG12 ILE 20 2HG1 ILE 20 -1.444 -4.947 -3.308 150 HG13 ILE 20 1HG1 ILE 20 -1.500 -5.068 -1.551 151 HG21 ILE 20 1HG2 ILE 20 -4.075 -3.519 -1.022 152 HG22 ILE 20 2HG2 ILE 20 -3.298 -1.937 -0.948 153 HG23 ILE 20 3HG2 ILE 20 -2.522 -3.336 -0.205 154 HD11 ILE 20 3HD1 ILE 20 -3.889 -5.549 -1.664 155 HD12 ILE 20 1HD1 ILE 20 -2.944 -6.712 -2.594 156 HD13 ILE 20 2HD1 ILE 20 -3.829 -5.432 -3.423 157 H ALA 21 H ALA 21 -5.100 -1.693 -2.234 158 HA ALA 21 HA ALA 21 -5.285 0.764 -3.491 159 HB1 ALA 21 1HB ALA 21 -5.754 0.195 -0.567 160 HB2 ALA 21 2HB ALA 21 -6.920 -0.061 -1.866 161 HB3 ALA 21 3HB ALA 21 -6.379 1.572 -1.476 162 H TYR 22 H TYR 22 -3.944 2.423 -3.677 163 HA TYR 22 HA TYR 22 -1.574 2.530 -1.995 164 HB2 TYR 22 2HB TYR 22 -0.713 4.143 -3.593 165 HB3 TYR 22 1HB TYR 22 -1.334 2.733 -4.446 166 HD1 TYR 22 2HD TYR 22 -3.602 2.889 -5.554 167 HD2 TYR 22 1HD TYR 22 -1.561 6.297 -4.031 168 HE1 TYR 22 2HE TYR 22 -5.022 4.348 -6.933 169 HE2 TYR 22 1HE TYR 22 -2.978 7.766 -5.403 170 HH TYR 22 HH TYR 22 -5.793 6.680 -6.955 171 H GLY 23 H GLY 23 -0.816 4.641 -1.194 172 HA2 GLY 23 2HA GLY 23 -1.260 6.850 -0.418 173 HA3 GLY 23 1HA GLY 23 -2.980 6.528 -0.575 174 H GLY 24 H GLY 24 -2.716 3.909 0.784 175 HA2 GLY 24 2HA GLY 24 -1.616 3.793 3.230 176 HA3 GLY 24 1HA GLY 24 -2.926 4.935 3.491 177 H GLY 25 H GLY 25 -2.069 1.723 3.582 178 HA2 GLY 25 2HA GLY 25 -4.832 0.796 3.169 179 HA3 GLY 25 1HA GLY 25 -3.406 -0.230 3.178 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -13.064 -1.452 -2.154 2 H2 GLY 1 2HT GLY 1 -12.824 -0.526 -3.549 3 H3 GLY 1 3HT GLY 1 -11.880 -0.244 -2.176 4 HA2 GLY 1 1HA GLY 1 -11.855 -2.714 -3.823 5 HA3 GLY 1 2HA GLY 1 -10.625 -1.458 -3.847 6 H VAL 2 H VAL 2 -12.125 -3.958 -1.871 7 HA VAL 2 HA VAL 2 -9.979 -3.782 0.096 8 HB VAL 2 HB VAL 2 -12.336 -5.671 0.041 9 HG11 VAL 2 1HG1 VAL 2 -10.491 -6.467 1.412 10 HG12 VAL 2 2HG1 VAL 2 -11.844 -5.967 2.425 11 HG13 VAL 2 3HG1 VAL 2 -10.434 -4.920 2.260 12 HG21 VAL 2 3HG2 VAL 2 -13.102 -3.365 0.135 13 HG22 VAL 2 1HG2 VAL 2 -12.012 -3.041 1.481 14 HG23 VAL 2 2HG2 VAL 2 -13.355 -4.163 1.686 15 H VAL 3 H VAL 3 -8.249 -5.064 0.093 16 HA VAL 3 HA VAL 3 -8.352 -7.699 -1.127 17 HB VAL 3 HB VAL 3 -6.354 -7.327 -2.508 18 HG11 VAL 3 1HG1 VAL 3 -8.549 -7.151 -3.540 19 HG12 VAL 3 2HG1 VAL 3 -7.422 -6.015 -4.282 20 HG13 VAL 3 3HG1 VAL 3 -8.624 -5.439 -3.125 21 HG21 VAL 3 3HG2 VAL 3 -5.544 -5.072 -2.950 22 HG22 VAL 3 1HG2 VAL 3 -5.401 -5.464 -1.237 23 HG23 VAL 3 2HG2 VAL 3 -6.705 -4.416 -1.795 24 H ARG 4 H ARG 4 -5.876 -8.565 -1.025 25 HA ARG 4 HA ARG 4 -5.246 -8.473 1.799 26 HB2 ARG 4 2HB ARG 4 -3.989 -10.081 -0.431 27 HB3 ARG 4 1HB ARG 4 -3.684 -10.298 1.289 28 HG2 ARG 4 2HG ARG 4 -6.286 -10.758 -0.153 29 HG3 ARG 4 1HG ARG 4 -5.215 -11.983 0.531 30 HD2 ARG 4 2HD ARG 4 -6.647 -9.841 2.097 31 HD3 ARG 4 1HD ARG 4 -7.162 -11.522 1.967 32 HE ARG 4 HE ARG 4 -4.528 -11.491 2.893 33 HH11 ARG 4 1HH1 ARG 4 -7.707 -10.534 3.969 34 HH12 ARG 4 2HH1 ARG 4 -7.343 -10.758 5.646 35 HH21 ARG 4 1HH2 ARG 4 -4.049 -11.789 5.100 36 HH22 ARG 4 2HH2 ARG 4 -5.267 -11.470 6.289 37 H GLN 5 H GLN 5 -3.173 -8.019 2.654 38 HA GLN 5 HA GLN 5 -1.717 -6.012 1.093 39 HB2 GLN 5 2HB GLN 5 -0.781 -5.289 3.241 40 HB3 GLN 5 1HB GLN 5 -2.539 -5.296 3.280 41 HG2 GLN 5 2HG GLN 5 -2.504 -7.431 4.466 42 HG3 GLN 5 1HG GLN 5 -0.742 -7.419 4.430 43 HE21 GLN 5 1HE2 GLN 5 0.381 -5.970 5.732 44 HE22 GLN 5 2HE2 GLN 5 -0.368 -5.160 7.061 45 H TRP 6 H TRP 6 0.721 -5.920 1.872 46 HA TRP 6 HA TRP 6 2.019 -8.370 2.441 47 HB2 TRP 6 2HB TRP 6 2.960 -8.936 0.316 48 HB3 TRP 6 1HB TRP 6 1.227 -8.768 0.079 49 HD1 TRP 6 HD TRP 6 0.652 -5.964 -0.663 50 HE1 TRP 6 1HE TRP 6 1.739 -4.741 -2.649 51 HE3 TRP 6 3HE TRP 6 4.830 -8.855 -1.190 52 HZ2 TRP 6 2HZ TRP 6 4.076 -4.976 -4.228 53 HZ3 TRP 6 3HZ TRP 6 6.441 -8.290 -2.960 54 HH2 TRP 6 HH TRP 6 6.070 -6.391 -4.448 55 H SER 7 H SER 7 4.443 -7.798 0.968 56 HA SER 7 HA SER 7 5.369 -5.545 2.576 57 HB2 SER 7 2HB SER 7 6.923 -7.628 1.023 58 HB3 SER 7 1HB SER 7 7.634 -6.383 2.048 59 HG SER 7 HG SER 7 7.436 -8.318 3.196 60 H GLY 8 H GLY 8 3.793 -4.852 0.352 61 HA2 GLY 8 2HA GLY 8 5.680 -3.959 -1.699 62 HA3 GLY 8 1HA GLY 8 3.929 -3.875 -1.795 63 H TYR 9 H TYR 9 3.815 -2.705 0.949 64 HA TYR 9 HA TYR 9 3.557 -0.041 0.332 65 HB2 TYR 9 2HB TYR 9 2.634 -0.951 2.374 66 HB3 TYR 9 1HB TYR 9 4.244 -1.293 2.997 67 HD1 TYR 9 1HD TYR 9 1.999 1.494 1.987 68 HD2 TYR 9 2HD TYR 9 5.396 0.310 4.259 69 HE1 TYR 9 1HE TYR 9 2.051 3.710 3.055 70 HE2 TYR 9 2HE TYR 9 5.458 2.521 5.332 71 HH TYR 9 HH TYR 9 2.902 4.738 5.123 72 H ASP 10 H ASP 10 4.954 1.450 -0.281 73 HA ASP 10 HA ASP 10 7.784 1.129 0.410 74 HB2 ASP 10 2HB ASP 10 8.113 2.880 -1.391 75 HB3 ASP 10 1HB ASP 10 7.485 1.328 -1.941 76 HA PRO 11 HA PRO 11 6.651 4.429 3.375 77 HB2 PRO 11 2HB PRO 11 8.933 4.086 4.877 78 HB3 PRO 11 1HB PRO 11 7.436 3.170 5.124 79 HG2 PRO 11 2HG PRO 11 9.921 2.370 3.707 80 HG3 PRO 11 1HG PRO 11 8.858 1.415 4.760 81 HD2 PRO 11 2HD PRO 11 8.790 1.197 2.074 82 HD3 PRO 11 1HD PRO 11 7.344 0.994 3.083 83 H ARG 12 H ARG 12 9.336 3.946 1.276 84 HA ARG 12 HA ARG 12 10.866 6.227 1.863 85 HB2 ARG 12 2HB ARG 12 10.513 4.778 -0.766 86 HB3 ARG 12 1HB ARG 12 11.772 5.955 -0.425 87 HG2 ARG 12 2HG ARG 12 12.678 4.504 1.310 88 HG3 ARG 12 1HG ARG 12 11.402 3.324 0.993 89 HD2 ARG 12 2HD ARG 12 13.491 4.234 -0.983 90 HD3 ARG 12 1HD ARG 12 13.510 2.710 -0.099 91 HE ARG 12 HE ARG 12 11.089 2.952 -1.517 92 HH11 ARG 12 2HH1 ARG 12 14.493 2.398 -2.052 93 HH12 ARG 12 1HH1 ARG 12 14.245 1.487 -3.503 94 HH21 ARG 12 1HH2 ARG 12 10.760 1.753 -3.426 95 HH22 ARG 12 2HH2 ARG 12 12.125 1.121 -4.284 96 H THR 13 H THR 13 8.113 5.727 -0.299 97 HA THR 13 HA THR 13 7.952 8.648 -0.623 98 HB THR 13 HB THR 13 6.900 8.320 -2.801 99 HG1 THR 13 1HG THR 13 6.928 6.139 -3.673 100 HG21 THR 13 3HG2 THR 13 9.328 8.551 -2.743 101 HG22 THR 13 1HG2 THR 13 8.845 7.449 -4.033 102 HG23 THR 13 2HG2 THR 13 9.502 6.809 -2.526 103 H GLY 14 H GLY 14 6.686 6.483 1.204 104 HA2 GLY 14 2HA GLY 14 4.645 6.067 2.182 105 HA3 GLY 14 1HA GLY 14 4.367 7.775 1.887 106 H THR 15 H THR 15 4.437 4.780 -0.060 107 HA THR 15 HA THR 15 1.681 5.149 -0.822 108 HB THR 15 HB THR 15 2.151 5.154 -3.268 109 HG1 THR 15 1HG THR 15 4.804 5.831 -2.473 110 HG21 THR 15 3HG2 THR 15 3.307 7.531 -1.807 111 HG22 THR 15 1HG2 THR 15 1.586 7.232 -2.052 112 HG23 THR 15 2HG2 THR 15 2.637 7.524 -3.438 113 H TRP 16 H TRP 16 1.134 3.442 -2.608 114 HA TRP 16 HA TRP 16 2.506 0.944 -1.864 115 HB2 TRP 16 2HB TRP 16 -0.384 1.526 -2.468 116 HB3 TRP 16 1HB TRP 16 0.261 -0.110 -2.567 117 HD1 TRP 16 HD TRP 16 -0.395 2.688 -0.005 118 HE1 TRP 16 1HE TRP 16 -0.508 1.628 2.337 119 HE3 TRP 16 3HE TRP 16 0.963 -2.093 -1.208 120 HZ2 TRP 16 2HZ TRP 16 -0.077 -0.899 3.519 121 HZ3 TRP 16 3HZ TRP 16 1.090 -3.770 0.588 122 HH2 TRP 16 HH TRP 16 0.581 -3.182 2.903 123 H ARG 17 H ARG 17 3.709 0.138 -3.424 124 HA ARG 17 HA ARG 17 3.582 1.024 -6.114 125 HB2 ARG 17 2HB ARG 17 5.303 -0.695 -6.530 126 HB3 ARG 17 1HB ARG 17 5.682 0.316 -5.145 127 HG2 ARG 17 2HG ARG 17 4.776 -1.487 -3.676 128 HG3 ARG 17 1HG ARG 17 4.632 -2.501 -5.114 129 HD2 ARG 17 2HD ARG 17 7.170 -1.292 -4.021 130 HD3 ARG 17 1HD ARG 17 6.695 -2.985 -3.928 131 HE ARG 17 HE ARG 17 7.183 -3.236 -6.191 132 HH11 ARG 17 2HH1 ARG 17 7.650 0.075 -5.176 133 HH12 ARG 17 1HH1 ARG 17 8.547 0.508 -6.590 134 HH21 ARG 17 2HH2 ARG 17 8.362 -2.661 -8.047 135 HH22 ARG 17 1HH2 ARG 17 8.951 -1.041 -8.219 136 H SER 18 H SER 18 2.629 -2.008 -4.544 137 HA SER 18 HA SER 18 1.801 -3.306 -6.917 138 HB2 SER 18 2HB SER 18 0.663 -4.895 -5.414 139 HB3 SER 18 1HB SER 18 2.303 -4.553 -4.867 140 HG SER 18 HG SER 18 1.295 -2.961 -3.440 141 H SER 19 H SER 19 -0.525 -4.072 -7.193 142 HA SER 19 HA SER 19 -2.157 -1.842 -7.722 143 HB2 SER 19 2HB SER 19 -2.902 -4.773 -7.581 144 HB3 SER 19 1HB SER 19 -3.893 -3.504 -8.299 145 HG SER 19 HG SER 19 -2.588 -4.681 -9.824 146 H ILE 20 H ILE 20 -1.669 -3.640 -4.860 147 HA ILE 20 HA ILE 20 -4.101 -3.604 -3.573 148 HB ILE 20 HB ILE 20 -1.453 -2.961 -2.269 149 HG12 ILE 20 2HG1 ILE 20 -1.212 -4.997 -3.553 150 HG13 ILE 20 1HG1 ILE 20 -1.340 -5.420 -1.849 151 HG21 ILE 20 1HG2 ILE 20 -3.318 -2.540 -0.800 152 HG22 ILE 20 2HG2 ILE 20 -2.491 -4.009 -0.284 153 HG23 ILE 20 3HG2 ILE 20 -4.010 -4.119 -1.169 154 HD11 ILE 20 3HD1 ILE 20 -3.521 -5.617 -3.911 155 HD12 ILE 20 1HD1 ILE 20 -3.710 -5.974 -2.194 156 HD13 ILE 20 2HD1 ILE 20 -2.627 -6.952 -3.185 157 H ALA 21 H ALA 21 -5.034 -2.141 -2.017 158 HA ALA 21 HA ALA 21 -5.463 0.421 -2.887 159 HB1 ALA 21 1HB ALA 21 -6.372 0.915 -0.688 160 HB2 ALA 21 2HB ALA 21 -5.560 -0.501 -0.018 161 HB3 ALA 21 3HB ALA 21 -6.847 -0.702 -1.207 162 H TYR 22 H TYR 22 -4.321 2.237 -2.945 163 HA TYR 22 HA TYR 22 -1.813 2.355 -1.436 164 HB2 TYR 22 2HB TYR 22 -1.115 4.072 -3.015 165 HB3 TYR 22 1HB TYR 22 -1.668 2.643 -3.882 166 HD1 TYR 22 1HD TYR 22 -4.009 2.668 -4.870 167 HD2 TYR 22 2HD TYR 22 -2.093 6.173 -3.408 168 HE1 TYR 22 1HE TYR 22 -5.573 4.055 -6.166 169 HE2 TYR 22 2HE TYR 22 -3.653 7.571 -4.696 170 HH TYR 22 HH TYR 22 -5.095 7.373 -6.680 171 H GLY 23 H GLY 23 -1.150 4.454 -0.550 172 HA2 GLY 23 2HA GLY 23 -1.500 6.228 0.864 173 HA3 GLY 23 1HA GLY 23 -2.893 6.605 -0.136 174 H GLY 24 H GLY 24 -2.002 4.089 2.238 175 HA2 GLY 24 2HA GLY 24 -3.361 4.523 4.410 176 HA3 GLY 24 1HA GLY 24 -4.723 4.278 3.326 177 H GLY 25 H GLY 25 -5.348 2.238 2.809 178 HA2 GLY 25 2HA GLY 25 -4.935 -0.096 2.481 179 HA3 GLY 25 1HA GLY 25 -3.592 0.019 3.607 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -14.454 -2.661 -1.303 2 H2 GLY 1 2HT GLY 1 -13.802 -3.520 -0.001 3 H3 GLY 1 3HT GLY 1 -13.203 -3.772 -1.561 4 HA2 GLY 1 1HA GLY 1 -12.363 -1.510 -1.643 5 HA3 GLY 1 2HA GLY 1 -12.993 -1.239 -0.026 6 H VAL 2 H VAL 2 -12.284 -3.489 1.314 7 HA VAL 2 HA VAL 2 -9.419 -3.130 1.547 8 HB VAL 2 HB VAL 2 -11.240 -4.894 3.191 9 HG11 VAL 2 1HG1 VAL 2 -8.886 -5.509 3.344 10 HG12 VAL 2 2HG1 VAL 2 -9.447 -4.792 4.854 11 HG13 VAL 2 3HG1 VAL 2 -8.466 -3.842 3.738 12 HG21 VAL 2 3HG2 VAL 2 -11.217 -3.071 4.836 13 HG22 VAL 2 1HG2 VAL 2 -11.966 -2.578 3.318 14 HG23 VAL 2 2HG2 VAL 2 -10.322 -2.065 3.697 15 H VAL 3 H VAL 3 -7.878 -4.777 1.407 16 HA VAL 3 HA VAL 3 -8.686 -7.399 0.449 17 HB VAL 3 HB VAL 3 -7.208 -7.318 -1.521 18 HG11 VAL 3 1HG1 VAL 3 -8.653 -5.939 -2.941 19 HG12 VAL 3 2HG1 VAL 3 -9.341 -5.184 -1.502 20 HG13 VAL 3 3HG1 VAL 3 -9.589 -6.905 -1.801 21 HG21 VAL 3 3HG2 VAL 3 -5.684 -5.570 -0.787 22 HG22 VAL 3 1HG2 VAL 3 -6.982 -4.379 -0.879 23 HG23 VAL 3 2HG2 VAL 3 -6.393 -5.156 -2.347 24 H ARG 4 H ARG 4 -6.417 -8.569 -0.204 25 HA ARG 4 HA ARG 4 -5.042 -8.847 2.244 26 HB2 ARG 4 2HB ARG 4 -3.542 -10.354 1.009 27 HB3 ARG 4 1HB ARG 4 -5.233 -10.693 0.665 28 HG2 ARG 4 2HG ARG 4 -5.070 -9.543 -1.456 29 HG3 ARG 4 1HG ARG 4 -3.399 -9.093 -1.107 30 HD2 ARG 4 2HD ARG 4 -3.533 -11.025 -2.616 31 HD3 ARG 4 1HD ARG 4 -2.747 -11.432 -1.090 32 HE ARG 4 HE ARG 4 -5.477 -12.016 -0.873 33 HH11 ARG 4 1HH1 ARG 4 -2.649 -13.136 -2.584 34 HH12 ARG 4 2HH1 ARG 4 -3.219 -14.765 -2.715 35 HH21 ARG 4 1HH2 ARG 4 -6.230 -14.159 -1.044 36 HH22 ARG 4 2HH2 ARG 4 -5.253 -15.346 -1.842 37 H GLN 5 H GLN 5 -3.145 -8.047 2.979 38 HA GLN 5 HA GLN 5 -1.945 -5.882 1.409 39 HB2 GLN 5 2HB GLN 5 -1.011 -5.082 3.493 40 HB3 GLN 5 1HB GLN 5 -2.735 -5.361 3.696 41 HG2 GLN 5 2HG GLN 5 -2.255 -7.495 4.793 42 HG3 GLN 5 1HG GLN 5 -0.527 -7.195 4.604 43 HE21 GLN 5 1HE2 GLN 5 -3.432 -6.293 6.283 44 HE22 GLN 5 2HE2 GLN 5 -2.668 -5.379 7.536 45 H TRP 6 H TRP 6 0.479 -5.599 1.793 46 HA TRP 6 HA TRP 6 2.078 -7.854 2.397 47 HB2 TRP 6 2HB TRP 6 2.813 -8.536 0.221 48 HB3 TRP 6 1HB TRP 6 1.054 -8.560 0.204 49 HD1 TRP 6 HD TRP 6 0.049 -5.975 -0.742 50 HE1 TRP 6 1HE TRP 6 0.762 -4.839 -2.940 51 HE3 TRP 6 3HE TRP 6 4.521 -8.341 -1.458 52 HZ2 TRP 6 2HZ TRP 6 2.940 -4.932 -4.737 53 HZ3 TRP 6 3HZ TRP 6 5.859 -7.761 -3.439 54 HH2 TRP 6 HH TRP 6 5.084 -6.092 -5.045 55 H SER 7 H SER 7 4.212 -7.173 0.512 56 HA SER 7 HA SER 7 5.329 -4.980 1.963 57 HB2 SER 7 2HB SER 7 6.381 -6.482 -0.442 58 HB3 SER 7 1HB SER 7 7.307 -5.331 0.520 59 HG SER 7 HG SER 7 6.679 -7.942 1.039 60 H GLY 8 H GLY 8 3.126 -4.934 -0.468 61 HA2 GLY 8 2HA GLY 8 3.998 -3.200 -2.412 62 HA3 GLY 8 1HA GLY 8 2.353 -3.230 -1.797 63 H TYR 9 H TYR 9 3.337 -2.481 0.924 64 HA TYR 9 HA TYR 9 3.158 0.356 0.558 65 HB2 TYR 9 2HB TYR 9 2.065 -0.721 2.460 66 HB3 TYR 9 1HB TYR 9 3.622 -1.282 3.059 67 HD1 TYR 9 1HD TYR 9 1.538 1.716 2.488 68 HD2 TYR 9 2HD TYR 9 5.034 0.144 4.337 69 HE1 TYR 9 1HE TYR 9 1.778 3.791 3.787 70 HE2 TYR 9 2HE TYR 9 5.283 2.214 5.639 71 HH TYR 9 HH TYR 9 4.602 4.567 5.509 72 H ASP 10 H ASP 10 4.812 1.619 0.070 73 HA ASP 10 HA ASP 10 7.502 0.828 0.967 74 HB2 ASP 10 2HB ASP 10 6.658 2.462 -1.431 75 HB3 ASP 10 1HB ASP 10 8.330 2.228 -0.931 76 HA PRO 11 HA PRO 11 6.762 4.466 3.613 77 HB2 PRO 11 2HB PRO 11 9.121 4.083 5.018 78 HB3 PRO 11 1HB PRO 11 7.563 3.354 5.446 79 HG2 PRO 11 2HG PRO 11 9.866 2.164 3.999 80 HG3 PRO 11 1HG PRO 11 8.768 1.431 5.187 81 HD2 PRO 11 2HD PRO 11 8.535 0.948 2.555 82 HD3 PRO 11 1HD PRO 11 7.121 1.036 3.625 83 H ARG 12 H ARG 12 9.514 3.590 1.656 84 HA ARG 12 HA ARG 12 11.064 5.901 1.933 85 HB2 ARG 12 2HB ARG 12 11.979 5.296 -0.310 86 HB3 ARG 12 1HB ARG 12 11.982 3.970 0.842 87 HG2 ARG 12 2HG ARG 12 9.979 3.049 -0.199 88 HG3 ARG 12 1HG ARG 12 9.959 4.388 -1.347 89 HD2 ARG 12 2HD ARG 12 10.947 2.402 -2.352 90 HD3 ARG 12 1HD ARG 12 12.142 3.690 -2.199 91 HE ARG 12 HE ARG 12 12.257 2.013 0.063 92 HH11 ARG 12 2HH1 ARG 12 13.049 2.032 -3.337 93 HH12 ARG 12 1HH1 ARG 12 14.341 0.892 -3.170 94 HH21 ARG 12 1HH2 ARG 12 13.956 0.511 0.283 95 HH22 ARG 12 2HH2 ARG 12 14.856 0.029 -1.115 96 H THR 13 H THR 13 8.182 5.257 0.071 97 HA THR 13 HA THR 13 8.231 8.045 -0.864 98 HB THR 13 HB THR 13 6.878 7.338 -2.813 99 HG1 THR 13 1HG THR 13 6.355 5.259 -3.110 100 HG21 THR 13 3HG2 THR 13 8.701 6.190 -4.031 101 HG22 THR 13 1HG2 THR 13 9.530 5.928 -2.496 102 HG23 THR 13 2HG2 THR 13 9.275 7.569 -3.092 103 H GLY 14 H GLY 14 6.958 6.385 1.452 104 HA2 GLY 14 2HA GLY 14 4.976 6.357 2.625 105 HA3 GLY 14 1HA GLY 14 4.840 8.011 2.053 106 H THR 15 H THR 15 4.835 5.311 -0.158 107 HA THR 15 HA THR 15 1.935 5.291 -0.334 108 HB THR 15 HB THR 15 1.916 5.747 -2.758 109 HG1 THR 15 1HG THR 15 4.058 5.262 -3.292 110 HG21 THR 15 3HG2 THR 15 2.271 8.169 -2.624 111 HG22 THR 15 1HG2 THR 15 3.157 7.957 -1.113 112 HG23 THR 15 2HG2 THR 15 1.439 7.564 -1.191 113 H TRP 16 H TRP 16 1.110 3.432 -1.223 114 HA TRP 16 HA TRP 16 2.748 1.143 -1.208 115 HB2 TRP 16 2HB TRP 16 -0.039 1.553 -2.309 116 HB3 TRP 16 1HB TRP 16 0.733 -0.019 -2.115 117 HD1 TRP 16 HD TRP 16 -0.490 2.949 0.039 118 HE1 TRP 16 1HE TRP 16 -1.078 2.053 2.378 119 HE3 TRP 16 3HE TRP 16 1.046 -1.894 -0.537 120 HZ2 TRP 16 2HZ TRP 16 -0.910 -0.383 3.792 121 HZ3 TRP 16 3HZ TRP 16 0.799 -3.442 1.360 122 HH2 TRP 16 HH TRP 16 -0.159 -2.699 3.480 123 H ARG 17 H ARG 17 2.509 -0.457 -3.205 124 HA ARG 17 HA ARG 17 3.960 0.835 -5.333 125 HB2 ARG 17 2HB ARG 17 3.197 -2.043 -4.840 126 HB3 ARG 17 1HB ARG 17 4.087 -1.514 -6.264 127 HG2 ARG 17 2HG ARG 17 4.981 -1.184 -3.409 128 HG3 ARG 17 1HG ARG 17 5.559 -2.411 -4.537 129 HD2 ARG 17 2HD ARG 17 5.728 0.505 -5.191 130 HD3 ARG 17 1HD ARG 17 6.964 -0.276 -4.208 131 HE ARG 17 HE ARG 17 6.803 -1.880 -6.371 132 HH11 ARG 17 2HH1 ARG 17 7.224 1.562 -5.993 133 HH12 ARG 17 1HH1 ARG 17 8.149 1.735 -7.447 134 HH21 ARG 17 2HH2 ARG 17 8.018 -1.655 -8.285 135 HH22 ARG 17 1HH2 ARG 17 8.600 -0.091 -8.748 136 H SER 18 H SER 18 1.516 -1.655 -5.840 137 HA SER 18 HA SER 18 -0.362 0.039 -7.119 138 HB2 SER 18 2HB SER 18 -0.025 -0.721 -9.444 139 HB3 SER 18 1HB SER 18 1.366 0.180 -8.843 140 HG SER 18 HG SER 18 1.964 -1.749 -9.941 141 H SER 19 H SER 19 0.982 -3.219 -6.860 142 HA SER 19 HA SER 19 -1.067 -4.774 -7.780 143 HB2 SER 19 2HB SER 19 -0.323 -6.504 -6.187 144 HB3 SER 19 1HB SER 19 1.045 -5.704 -6.960 145 HG SER 19 HG SER 19 1.019 -4.311 -5.007 146 H ILE 20 H ILE 20 -0.846 -3.206 -4.630 147 HA ILE 20 HA ILE 20 -3.670 -3.910 -4.160 148 HB ILE 20 HB ILE 20 -1.582 -3.340 -2.051 149 HG12 ILE 20 2HG1 ILE 20 -1.124 -5.471 -3.146 150 HG13 ILE 20 1HG1 ILE 20 -1.755 -5.750 -1.526 151 HG21 ILE 20 1HG2 ILE 20 -3.323 -4.217 -0.508 152 HG22 ILE 20 2HG2 ILE 20 -4.452 -4.238 -1.862 153 HG23 ILE 20 3HG2 ILE 20 -3.775 -2.709 -1.303 154 HD11 ILE 20 3HD1 ILE 20 -3.956 -6.229 -2.474 155 HD12 ILE 20 1HD1 ILE 20 -2.714 -7.306 -3.112 156 HD13 ILE 20 2HD1 ILE 20 -3.308 -5.967 -4.093 157 H ALA 21 H ALA 21 -4.958 -2.314 -3.040 158 HA ALA 21 HA ALA 21 -4.868 0.218 -4.116 159 HB1 ALA 21 1HB ALA 21 -6.482 0.873 -2.418 160 HB2 ALA 21 2HB ALA 21 -6.073 -0.550 -1.460 161 HB3 ALA 21 3HB ALA 21 -6.846 -0.738 -3.034 162 H TYR 22 H TYR 22 -3.782 2.045 -3.724 163 HA TYR 22 HA TYR 22 -1.822 2.036 -1.562 164 HB2 TYR 22 2HB TYR 22 -0.803 3.931 -2.725 165 HB3 TYR 22 1HB TYR 22 -1.043 2.582 -3.829 166 HD1 TYR 22 1HD TYR 22 -2.870 2.676 -5.515 167 HD2 TYR 22 2HD TYR 22 -1.893 6.021 -3.073 168 HE1 TYR 22 1HE TYR 22 -4.091 4.153 -7.057 169 HE2 TYR 22 2HE TYR 22 -3.112 7.506 -4.608 170 HH TYR 22 HH TYR 22 -5.202 6.350 -7.013 171 H GLY 23 H GLY 23 -1.393 4.503 -0.828 172 HA2 GLY 23 2HA GLY 23 -2.168 6.318 0.358 173 HA3 GLY 23 1HA GLY 23 -3.721 6.102 -0.435 174 H GLY 24 H GLY 24 -1.959 3.821 1.631 175 HA2 GLY 24 2HA GLY 24 -2.431 3.370 3.914 176 HA3 GLY 24 1HA GLY 24 -3.964 4.209 3.734 177 H GLY 25 H GLY 25 -2.355 1.197 3.656 178 HA2 GLY 25 2HA GLY 25 -4.676 -0.146 2.460 179 HA3 GLY 25 1HA GLY 25 -3.101 -0.872 2.744 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -12.708 -3.052 0.352 2 H2 GLY 1 2HT GLY 1 -13.673 -1.814 0.983 3 H3 GLY 1 3HT GLY 1 -13.362 -3.196 1.905 4 HA2 GLY 1 1HA GLY 1 -11.351 -1.183 1.063 5 HA3 GLY 1 2HA GLY 1 -12.029 -1.333 2.677 6 H VAL 2 H VAL 2 -11.964 -3.946 3.230 7 HA VAL 2 HA VAL 2 -9.284 -4.427 3.882 8 HB VAL 2 HB VAL 2 -11.147 -5.400 5.145 9 HG11 VAL 2 1HG1 VAL 2 -11.530 -7.175 2.737 10 HG12 VAL 2 2HG1 VAL 2 -12.636 -5.917 3.288 11 HG13 VAL 2 3HG1 VAL 2 -12.358 -7.345 4.285 12 HG21 VAL 2 3HG2 VAL 2 -9.298 -7.473 3.968 13 HG22 VAL 2 1HG2 VAL 2 -10.206 -7.639 5.470 14 HG23 VAL 2 2HG2 VAL 2 -8.941 -6.417 5.335 15 H VAL 3 H VAL 3 -7.650 -5.386 2.841 16 HA VAL 3 HA VAL 3 -8.179 -7.189 0.614 17 HB VAL 3 HB VAL 3 -6.620 -6.015 -0.886 18 HG11 VAL 3 1HG1 VAL 3 -8.944 -4.331 0.041 19 HG12 VAL 3 2HG1 VAL 3 -9.011 -5.647 -1.131 20 HG13 VAL 3 3HG1 VAL 3 -8.118 -4.175 -1.510 21 HG21 VAL 3 3HG2 VAL 3 -5.963 -3.702 -0.404 22 HG22 VAL 3 1HG2 VAL 3 -5.305 -4.826 0.784 23 HG23 VAL 3 2HG2 VAL 3 -6.701 -3.829 1.192 24 H ARG 4 H ARG 4 -5.882 -7.841 -0.341 25 HA ARG 4 HA ARG 4 -4.440 -8.961 1.894 26 HB2 ARG 4 2HB ARG 4 -3.920 -9.216 -1.073 27 HB3 ARG 4 1HB ARG 4 -3.180 -10.188 0.191 28 HG2 ARG 4 2HG ARG 4 -5.328 -11.148 0.756 29 HG3 ARG 4 1HG ARG 4 -6.124 -10.117 -0.433 30 HD2 ARG 4 2HD ARG 4 -5.806 -12.353 -1.324 31 HD3 ARG 4 1HD ARG 4 -4.833 -11.186 -2.218 32 HE ARG 4 HE ARG 4 -3.249 -12.257 -0.185 33 HH11 ARG 4 1HH1 ARG 4 -4.818 -13.299 -3.122 34 HH12 ARG 4 2HH1 ARG 4 -3.657 -14.541 -3.449 35 HH21 ARG 4 1HH2 ARG 4 -1.721 -13.892 -0.612 36 HH22 ARG 4 2HH2 ARG 4 -1.900 -14.878 -2.025 37 H GLN 5 H GLN 5 -2.622 -8.191 2.762 38 HA GLN 5 HA GLN 5 -1.315 -5.924 1.444 39 HB2 GLN 5 2HB GLN 5 -2.036 -5.468 3.695 40 HB3 GLN 5 1HB GLN 5 -1.226 -6.907 4.297 41 HG2 GLN 5 2HG GLN 5 0.933 -5.941 3.800 42 HG3 GLN 5 1HG GLN 5 0.162 -4.528 3.086 43 HE21 GLN 5 1HE2 GLN 5 0.915 -6.208 6.030 44 HE22 GLN 5 2HE2 GLN 5 0.550 -4.908 7.107 45 H TRP 6 H TRP 6 1.022 -5.775 1.488 46 HA TRP 6 HA TRP 6 2.671 -8.001 2.069 47 HB2 TRP 6 2HB TRP 6 3.195 -8.809 -0.118 48 HB3 TRP 6 1HB TRP 6 1.442 -8.801 0.005 49 HD1 TRP 6 HD TRP 6 0.420 -6.218 -0.977 50 HE1 TRP 6 1HE TRP 6 0.982 -5.204 -3.274 51 HE3 TRP 6 3HE TRP 6 4.744 -8.763 -1.950 52 HZ2 TRP 6 2HZ TRP 6 2.991 -5.452 -5.240 53 HZ3 TRP 6 3HZ TRP 6 5.926 -8.317 -4.062 54 HH2 TRP 6 HH TRP 6 5.065 -6.696 -5.673 55 H SER 7 H SER 7 4.640 -7.448 -0.005 56 HA SER 7 HA SER 7 5.994 -5.302 1.205 57 HB2 SER 7 2HB SER 7 7.182 -7.107 0.061 58 HB3 SER 7 1HB SER 7 6.483 -6.611 -1.480 59 HG SER 7 HG SER 7 8.458 -5.363 0.071 60 H GLY 8 H GLY 8 3.470 -5.250 -1.050 61 HA2 GLY 8 2HA GLY 8 3.995 -3.235 -2.814 62 HA3 GLY 8 1HA GLY 8 2.422 -3.482 -2.074 63 H TYR 9 H TYR 9 3.545 -2.912 0.627 64 HA TYR 9 HA TYR 9 3.181 -0.055 0.522 65 HB2 TYR 9 2HB TYR 9 2.158 -1.339 2.332 66 HB3 TYR 9 1HB TYR 9 3.745 -1.890 2.861 67 HD1 TYR 9 1HD TYR 9 1.573 1.091 2.540 68 HD2 TYR 9 2HD TYR 9 5.086 -0.556 4.284 69 HE1 TYR 9 1HE TYR 9 1.757 3.054 4.012 70 HE2 TYR 9 2HE TYR 9 5.281 1.401 5.760 71 HH TYR 9 HH TYR 9 4.548 3.741 5.821 72 H ASP 10 H ASP 10 4.772 1.327 0.159 73 HA ASP 10 HA ASP 10 7.499 0.582 0.983 74 HB2 ASP 10 2HB ASP 10 6.556 2.266 -1.338 75 HB3 ASP 10 1HB ASP 10 8.235 2.203 -0.815 76 HA PRO 11 HA PRO 11 6.643 4.018 3.840 77 HB2 PRO 11 2HB PRO 11 9.028 3.671 5.202 78 HB3 PRO 11 1HB PRO 11 7.516 2.833 5.591 79 HG2 PRO 11 2HG PRO 11 9.868 1.864 4.063 80 HG3 PRO 11 1HG PRO 11 8.818 0.998 5.202 81 HD2 PRO 11 2HD PRO 11 8.600 0.682 2.540 82 HD3 PRO 11 1HD PRO 11 7.195 0.604 3.622 83 H ARG 12 H ARG 12 9.250 3.458 1.647 84 HA ARG 12 HA ARG 12 10.850 5.697 2.069 85 HB2 ARG 12 2HB ARG 12 10.186 4.422 -0.591 86 HB3 ARG 12 1HB ARG 12 11.589 5.420 -0.236 87 HG2 ARG 12 2HG ARG 12 11.005 2.748 1.022 88 HG3 ARG 12 1HG ARG 12 12.118 3.025 -0.319 89 HD2 ARG 12 2HD ARG 12 13.443 2.926 1.636 90 HD3 ARG 12 1HD ARG 12 13.348 4.627 1.189 91 HE ARG 12 HE ARG 12 11.310 3.959 3.042 92 HH11 ARG 12 2HH1 ARG 12 14.740 4.569 2.827 93 HH12 ARG 12 1HH1 ARG 12 14.872 5.115 4.464 94 HH21 ARG 12 1HH2 ARG 12 11.482 4.678 5.197 95 HH22 ARG 12 2HH2 ARG 12 13.024 5.178 5.810 96 H THR 13 H THR 13 7.759 5.365 0.474 97 HA THR 13 HA THR 13 7.672 8.284 0.172 98 HB THR 13 HB THR 13 6.432 8.075 -1.925 99 HG1 THR 13 1HG THR 13 5.749 6.183 -2.618 100 HG21 THR 13 3HG2 THR 13 9.045 6.560 -1.963 101 HG22 THR 13 1HG2 THR 13 8.858 8.312 -2.050 102 HG23 THR 13 2HG2 THR 13 8.265 7.297 -3.362 103 H GLY 14 H GLY 14 6.531 6.015 1.970 104 HA2 GLY 14 2HA GLY 14 4.577 5.575 3.097 105 HA3 GLY 14 1HA GLY 14 4.278 7.293 2.891 106 H THR 15 H THR 15 4.475 4.915 0.293 107 HA THR 15 HA THR 15 1.580 4.900 0.000 108 HB THR 15 HB THR 15 1.697 5.531 -2.392 109 HG1 THR 15 1HG THR 15 3.881 5.133 -2.819 110 HG21 THR 15 3HG2 THR 15 1.987 7.942 -2.040 111 HG22 THR 15 1HG2 THR 15 2.765 7.619 -0.491 112 HG23 THR 15 2HG2 THR 15 1.067 7.204 -0.728 113 H TRP 16 H TRP 16 0.805 3.095 -0.977 114 HA TRP 16 HA TRP 16 2.420 0.808 -1.109 115 HB2 TRP 16 2HB TRP 16 -0.287 1.300 -2.360 116 HB3 TRP 16 1HB TRP 16 0.452 -0.280 -2.124 117 HD1 TRP 16 HD TRP 16 -0.825 2.698 0.003 118 HE1 TRP 16 1HE TRP 16 -1.657 1.768 2.252 119 HE3 TRP 16 3HE TRP 16 0.472 -2.210 -0.614 120 HZ2 TRP 16 2HZ TRP 16 -1.756 -0.714 3.589 121 HZ3 TRP 16 3HZ TRP 16 -0.028 -3.798 1.199 122 HH2 TRP 16 HH TRP 16 -1.119 -3.061 3.256 123 H ARG 17 H ARG 17 2.036 -0.596 -3.335 124 HA ARG 17 HA ARG 17 3.535 0.934 -5.320 125 HB2 ARG 17 2HB ARG 17 3.168 -2.018 -4.866 126 HB3 ARG 17 1HB ARG 17 3.889 -1.389 -6.341 127 HG2 ARG 17 2HG ARG 17 4.919 -0.877 -3.561 128 HG3 ARG 17 1HG ARG 17 5.554 -2.089 -4.674 129 HD2 ARG 17 2HD ARG 17 5.370 0.802 -5.440 130 HD3 ARG 17 1HD ARG 17 6.750 0.180 -4.537 131 HE ARG 17 HE ARG 17 6.586 -1.509 -6.634 132 HH11 ARG 17 2HH1 ARG 17 6.679 1.971 -6.392 133 HH12 ARG 17 1HH1 ARG 17 7.465 2.182 -7.920 134 HH21 ARG 17 2HH2 ARG 17 7.619 -1.234 -8.645 135 HH22 ARG 17 1HH2 ARG 17 7.999 0.364 -9.199 136 H SER 18 H SER 18 1.440 -1.833 -5.938 137 HA SER 18 HA SER 18 -0.549 -0.256 -7.284 138 HB2 SER 18 2HB SER 18 1.195 -0.252 -8.997 139 HB3 SER 18 1HB SER 18 1.294 -2.011 -8.924 140 HG SER 18 HG SER 18 -0.144 -0.786 -10.574 141 H SER 19 H SER 19 0.857 -3.483 -6.844 142 HA SER 19 HA SER 19 -1.238 -5.093 -7.565 143 HB2 SER 19 2HB SER 19 0.607 -5.460 -5.194 144 HB3 SER 19 1HB SER 19 -0.388 -6.728 -5.907 145 HG SER 19 HG SER 19 0.799 -6.568 -7.793 146 H ILE 20 H ILE 20 -0.864 -3.260 -4.590 147 HA ILE 20 HA ILE 20 -3.624 -4.003 -3.857 148 HB ILE 20 HB ILE 20 -1.423 -3.199 -1.947 149 HG12 ILE 20 2HG1 ILE 20 -0.929 -5.389 -2.869 150 HG13 ILE 20 1HG1 ILE 20 -1.498 -5.573 -1.213 151 HG21 ILE 20 1HG2 ILE 20 -3.612 -2.589 -1.133 152 HG22 ILE 20 2HG2 ILE 20 -3.013 -3.976 -0.223 153 HG23 ILE 20 3HG2 ILE 20 -4.227 -4.205 -1.482 154 HD11 ILE 20 3HD1 ILE 20 -3.698 -6.213 -2.039 155 HD12 ILE 20 1HD1 ILE 20 -2.437 -7.271 -2.671 156 HD13 ILE 20 2HD1 ILE 20 -3.135 -6.019 -3.698 157 H ALA 21 H ALA 21 -4.885 -2.343 -2.812 158 HA ALA 21 HA ALA 21 -4.931 0.090 -4.091 159 HB1 ALA 21 1HB ALA 21 -6.432 0.861 -2.337 160 HB2 ALA 21 2HB ALA 21 -5.922 -0.470 -1.297 161 HB3 ALA 21 3HB ALA 21 -6.803 -0.803 -2.789 162 H TYR 22 H TYR 22 -3.829 1.941 -3.960 163 HA TYR 22 HA TYR 22 -1.875 2.220 -1.784 164 HB2 TYR 22 2HB TYR 22 -0.632 3.701 -3.271 165 HB3 TYR 22 1HB TYR 22 -0.937 2.156 -4.062 166 HD1 TYR 22 1HD TYR 22 -2.811 2.022 -5.760 167 HD2 TYR 22 2HD TYR 22 -1.358 5.720 -4.238 168 HE1 TYR 22 1HE TYR 22 -3.817 3.196 -7.672 169 HE2 TYR 22 2HE TYR 22 -2.362 6.904 -6.144 170 HH TYR 22 HH TYR 22 -3.084 6.420 -8.441 171 H GLY 23 H GLY 23 -1.380 4.479 -1.119 172 HA2 GLY 23 2HA GLY 23 -2.026 6.686 -0.646 173 HA3 GLY 23 1HA GLY 23 -3.572 6.378 -1.423 174 H GLY 24 H GLY 24 -1.816 4.889 1.306 175 HA2 GLY 24 2HA GLY 24 -2.662 5.487 3.578 176 HA3 GLY 24 1HA GLY 24 -4.272 5.264 2.910 177 H GLY 25 H GLY 25 -4.907 3.108 2.256 178 HA2 GLY 25 2HA GLY 25 -5.087 0.843 2.584 179 HA3 GLY 25 1HA GLY 25 -3.338 0.818 2.759 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -9.725 -3.307 -6.140 2 H2 GLY 1 2HT GLY 1 -9.747 -1.863 -5.260 3 H3 GLY 1 3HT GLY 1 -11.186 -2.490 -5.886 4 HA2 GLY 1 1HA GLY 1 -11.058 -2.904 -3.518 5 HA3 GLY 1 2HA GLY 1 -11.037 -4.405 -4.432 6 H VAL 2 H VAL 2 -10.134 -4.316 -1.831 7 HA VAL 2 HA VAL 2 -7.317 -4.992 -2.225 8 HB VAL 2 HB VAL 2 -7.290 -2.706 -1.351 9 HG11 VAL 2 1HG1 VAL 2 -8.169 -2.177 0.851 10 HG12 VAL 2 2HG1 VAL 2 -8.774 -3.825 1.025 11 HG13 VAL 2 3HG1 VAL 2 -9.459 -2.759 -0.202 12 HG21 VAL 2 3HG2 VAL 2 -5.511 -4.260 -0.704 13 HG22 VAL 2 1HG2 VAL 2 -6.443 -4.737 0.714 14 HG23 VAL 2 2HG2 VAL 2 -5.839 -3.087 0.570 15 H VAL 3 H VAL 3 -6.851 -6.904 -1.359 16 HA VAL 3 HA VAL 3 -8.066 -7.793 1.101 17 HB VAL 3 HB VAL 3 -8.902 -9.929 0.137 18 HG11 VAL 3 1HG1 VAL 3 -10.238 -7.475 -0.998 19 HG12 VAL 3 2HG1 VAL 3 -10.417 -8.055 0.658 20 HG13 VAL 3 3HG1 VAL 3 -10.996 -9.036 -0.687 21 HG21 VAL 3 3HG2 VAL 3 -9.334 -10.050 -2.273 22 HG22 VAL 3 1HG2 VAL 3 -7.610 -9.936 -1.924 23 HG23 VAL 3 2HG2 VAL 3 -8.491 -8.518 -2.497 24 H ARG 4 H ARG 4 -5.415 -7.222 0.235 25 HA ARG 4 HA ARG 4 -4.086 -9.529 1.200 26 HB2 ARG 4 2HB ARG 4 -2.683 -9.853 -0.912 27 HB3 ARG 4 1HB ARG 4 -4.310 -10.520 -0.916 28 HG2 ARG 4 2HG ARG 4 -5.113 -8.637 -2.209 29 HG3 ARG 4 1HG ARG 4 -3.513 -7.895 -2.154 30 HD2 ARG 4 2HD ARG 4 -4.214 -10.527 -3.448 31 HD3 ARG 4 1HD ARG 4 -3.888 -9.012 -4.288 32 HE ARG 4 HE ARG 4 -1.691 -9.637 -2.661 33 HH11 ARG 4 1HH1 ARG 4 -3.291 -10.784 -5.542 34 HH12 ARG 4 2HH1 ARG 4 -1.849 -11.452 -6.228 35 HH21 ARG 4 1HH2 ARG 4 0.208 -10.513 -3.562 36 HH22 ARG 4 2HH2 ARG 4 0.138 -11.298 -5.105 37 H GLN 5 H GLN 5 -2.764 -8.457 2.523 38 HA GLN 5 HA GLN 5 -1.384 -6.072 1.532 39 HB2 GLN 5 2HB GLN 5 -2.580 -5.795 3.631 40 HB3 GLN 5 1HB GLN 5 -1.700 -7.144 4.337 41 HG2 GLN 5 2HG GLN 5 0.361 -5.916 4.240 42 HG3 GLN 5 1HG GLN 5 -0.421 -4.599 3.371 43 HE21 GLN 5 1HE2 GLN 5 -1.877 -6.317 6.061 44 HE22 GLN 5 2HE2 GLN 5 -1.839 -4.995 7.169 45 H TRP 6 H TRP 6 0.838 -5.881 1.531 46 HA TRP 6 HA TRP 6 2.555 -7.898 2.602 47 HB2 TRP 6 2HB TRP 6 3.386 -8.872 0.588 48 HB3 TRP 6 1HB TRP 6 1.632 -8.967 0.499 49 HD1 TRP 6 HD TRP 6 0.512 -6.779 -0.974 50 HE1 TRP 6 1HE TRP 6 1.332 -5.879 -3.242 51 HE3 TRP 6 3HE TRP 6 5.281 -8.613 -0.894 52 HZ2 TRP 6 2HZ TRP 6 3.689 -5.943 -4.793 53 HZ3 TRP 6 3HZ TRP 6 6.754 -8.151 -2.810 54 HH2 TRP 6 HH TRP 6 5.973 -6.844 -4.719 55 H SER 7 H SER 7 4.683 -7.369 0.630 56 HA SER 7 HA SER 7 5.800 -5.075 1.817 57 HB2 SER 7 2HB SER 7 6.617 -6.512 -0.720 58 HB3 SER 7 1HB SER 7 7.604 -5.339 0.152 59 HG SER 7 HG SER 7 8.275 -7.208 0.983 60 H GLY 8 H GLY 8 3.426 -5.248 -0.547 61 HA2 GLY 8 2HA GLY 8 3.953 -3.412 -2.474 62 HA3 GLY 8 1HA GLY 8 2.379 -3.556 -1.709 63 H TYR 9 H TYR 9 3.482 -2.723 0.918 64 HA TYR 9 HA TYR 9 3.169 0.107 0.534 65 HB2 TYR 9 2HB TYR 9 2.163 -0.957 2.480 66 HB3 TYR 9 1HB TYR 9 3.740 -1.513 3.025 67 HD1 TYR 9 2HD TYR 9 1.786 1.581 2.338 68 HD2 TYR 9 1HD TYR 9 5.031 -0.182 4.451 69 HE1 TYR 9 2HE TYR 9 2.065 3.654 3.629 70 HE2 TYR 9 1HE TYR 9 5.319 1.887 5.747 71 HH TYR 9 HH TYR 9 4.799 4.279 5.537 72 H ASP 10 H ASP 10 4.747 1.483 0.103 73 HA ASP 10 HA ASP 10 7.503 0.727 0.812 74 HB2 ASP 10 2HB ASP 10 6.504 2.521 -1.407 75 HB3 ASP 10 1HB ASP 10 8.202 2.243 -1.029 76 HA PRO 11 HA PRO 11 6.756 4.194 3.693 77 HB2 PRO 11 2HB PRO 11 9.093 3.713 5.091 78 HB3 PRO 11 1HB PRO 11 7.535 2.951 5.454 79 HG2 PRO 11 2HG PRO 11 9.855 1.871 3.947 80 HG3 PRO 11 1HG PRO 11 8.760 1.057 5.082 81 HD2 PRO 11 2HD PRO 11 8.535 0.745 2.422 82 HD3 PRO 11 1HD PRO 11 7.121 0.747 3.495 83 H ARG 12 H ARG 12 9.485 3.404 1.679 84 HA ARG 12 HA ARG 12 11.071 5.673 2.091 85 HB2 ARG 12 2HB ARG 12 10.717 4.034 -0.426 86 HB3 ARG 12 1HB ARG 12 12.024 5.174 -0.134 87 HG2 ARG 12 2HG ARG 12 12.818 3.818 1.721 88 HG3 ARG 12 1HG ARG 12 11.484 2.687 1.476 89 HD2 ARG 12 2HD ARG 12 13.661 3.311 -0.517 90 HD3 ARG 12 1HD ARG 12 13.563 1.862 0.481 91 HE ARG 12 HE ARG 12 11.197 2.168 -1.032 92 HH11 ARG 12 2HH1 ARG 12 14.554 1.279 -1.369 93 HH12 ARG 12 1HH1 ARG 12 14.275 0.255 -2.738 94 HH21 ARG 12 1HH2 ARG 12 10.828 0.823 -2.832 95 HH22 ARG 12 2HH2 ARG 12 12.159 -0.004 -3.569 96 H THR 13 H THR 13 8.314 5.109 -0.036 97 HA THR 13 HA THR 13 8.355 7.966 -0.739 98 HB THR 13 HB THR 13 8.641 6.610 -2.722 99 HG1 THR 13 1HG THR 13 6.617 7.266 -3.812 100 HG21 THR 13 3HG2 THR 13 6.088 5.244 -1.867 101 HG22 THR 13 1HG2 THR 13 7.694 4.519 -1.954 102 HG23 THR 13 2HG2 THR 13 6.873 5.026 -3.431 103 H GLY 14 H GLY 14 7.035 6.249 1.480 104 HA2 GLY 14 2HA GLY 14 5.026 6.162 2.604 105 HA3 GLY 14 1HA GLY 14 4.912 7.843 2.109 106 H THR 15 H THR 15 4.829 5.011 -0.007 107 HA THR 15 HA THR 15 1.957 5.240 -0.343 108 HB THR 15 HB THR 15 2.104 5.500 -2.802 109 HG1 THR 15 1HG THR 15 4.129 4.975 -3.393 110 HG21 THR 15 3HG2 THR 15 2.602 7.902 -2.805 111 HG22 THR 15 1HG2 THR 15 3.369 7.744 -1.225 112 HG23 THR 15 2HG2 THR 15 1.639 7.447 -1.400 113 H TRP 16 H TRP 16 1.041 3.513 -1.586 114 HA TRP 16 HA TRP 16 2.538 1.055 -1.285 115 HB2 TRP 16 2HB TRP 16 -0.290 1.564 -2.230 116 HB3 TRP 16 1HB TRP 16 0.400 -0.027 -1.920 117 HD1 TRP 16 HD TRP 16 -0.428 3.231 0.003 118 HE1 TRP 16 1HE TRP 16 -0.981 2.606 2.436 119 HE3 TRP 16 3HE TRP 16 0.546 -1.786 -0.203 120 HZ2 TRP 16 2HZ TRP 16 -1.002 0.295 4.056 121 HZ3 TRP 16 3HZ TRP 16 0.235 -3.131 1.834 122 HH2 TRP 16 HH TRP 16 -0.523 -2.109 3.917 123 H ARG 17 H ARG 17 2.649 -0.552 -3.022 124 HA ARG 17 HA ARG 17 3.771 0.519 -5.370 125 HB2 ARG 17 2HB ARG 17 2.903 -2.270 -4.637 126 HB3 ARG 17 1HB ARG 17 3.653 -1.892 -6.182 127 HG2 ARG 17 2HG ARG 17 4.896 -1.400 -3.485 128 HG3 ARG 17 1HG ARG 17 5.249 -2.770 -4.539 129 HD2 ARG 17 2HD ARG 17 6.019 -1.211 -6.275 130 HD3 ARG 17 1HD ARG 17 5.701 0.141 -5.188 131 HE ARG 17 HE ARG 17 7.407 -1.611 -3.862 132 HH11 ARG 17 2HH1 ARG 17 7.459 0.433 -6.690 133 HH12 ARG 17 1HH1 ARG 17 9.166 0.712 -6.612 134 HH21 ARG 17 2HH2 ARG 17 9.652 -1.243 -3.756 135 HH22 ARG 17 1HH2 ARG 17 10.411 -0.240 -4.945 136 H SER 18 H SER 18 1.087 -1.794 -5.447 137 HA SER 18 HA SER 18 -0.715 -0.071 -6.793 138 HB2 SER 18 2HB SER 18 -0.648 -1.134 -9.023 139 HB3 SER 18 1HB SER 18 0.870 -0.321 -8.641 140 HG SER 18 HG SER 18 1.672 -2.409 -8.001 141 H SER 19 H SER 19 0.331 -3.421 -6.322 142 HA SER 19 HA SER 19 -2.022 -4.768 -6.813 143 HB2 SER 19 2HB SER 19 0.085 -5.914 -6.310 144 HB3 SER 19 1HB SER 19 0.008 -5.350 -4.641 145 HG SER 19 HG SER 19 -1.005 -7.554 -5.594 146 H ILE 20 H ILE 20 -1.163 -2.787 -4.081 147 HA ILE 20 HA ILE 20 -3.751 -3.407 -2.815 148 HB ILE 20 HB ILE 20 -1.328 -2.135 -1.532 149 HG12 ILE 20 2HG1 ILE 20 -2.370 -4.956 -1.202 150 HG13 ILE 20 1HG1 ILE 20 -0.979 -4.521 -2.192 151 HG21 ILE 20 1HG2 ILE 20 -2.511 -2.534 0.567 152 HG22 ILE 20 2HG2 ILE 20 -3.880 -3.196 -0.325 153 HG23 ILE 20 3HG2 ILE 20 -3.451 -1.495 -0.507 154 HD11 ILE 20 3HD1 ILE 20 0.206 -3.741 -0.243 155 HD12 ILE 20 1HD1 ILE 20 -0.351 -5.395 0.010 156 HD13 ILE 20 2HD1 ILE 20 -1.204 -4.052 0.770 157 H ALA 21 H ALA 21 -5.080 -1.697 -2.127 158 HA ALA 21 HA ALA 21 -5.170 0.559 -3.774 159 HB1 ALA 21 1HB ALA 21 -7.117 -0.322 -2.571 160 HB2 ALA 21 2HB ALA 21 -6.890 1.404 -2.290 161 HB3 ALA 21 3HB ALA 21 -6.422 0.240 -1.051 162 H TYR 22 H TYR 22 -3.304 1.726 -3.824 163 HA TYR 22 HA TYR 22 -1.778 2.481 -1.600 164 HB2 TYR 22 2HB TYR 22 -0.635 4.005 -3.083 165 HB3 TYR 22 1HB TYR 22 -0.979 2.518 -3.961 166 HD1 TYR 22 2HD TYR 22 -3.053 2.507 -5.491 167 HD2 TYR 22 1HD TYR 22 -1.316 6.067 -3.937 168 HE1 TYR 22 2HE TYR 22 -4.163 3.811 -7.253 169 HE2 TYR 22 1HE TYR 22 -2.423 7.381 -5.695 170 HH TYR 22 HH TYR 22 -4.895 6.123 -7.649 171 H GLY 23 H GLY 23 -1.392 4.731 -0.887 172 HA2 GLY 23 2HA GLY 23 -2.133 6.871 -0.287 173 HA3 GLY 23 1HA GLY 23 -3.670 6.534 -1.069 174 H GLY 24 H GLY 24 -2.061 4.560 1.380 175 HA2 GLY 24 2HA GLY 24 -2.866 5.184 3.765 176 HA3 GLY 24 1HA GLY 24 -4.450 4.880 3.064 177 H GLY 25 H GLY 25 -5.025 2.748 2.475 178 HA2 GLY 25 2HA GLY 25 -3.713 0.444 2.347 179 HA3 GLY 25 1HA GLY 25 -3.644 0.741 4.078 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -9.562 -3.691 -6.862 2 H2 GLY 1 2HT GLY 1 -10.844 -4.000 -7.921 3 H3 GLY 1 3HT GLY 1 -9.414 -4.893 -8.043 4 HA2 GLY 1 1HA GLY 1 -11.306 -4.947 -5.755 5 HA3 GLY 1 2HA GLY 1 -11.153 -6.195 -6.982 6 H VAL 2 H VAL 2 -9.356 -4.490 -4.449 7 HA VAL 2 HA VAL 2 -7.975 -7.007 -3.848 8 HB VAL 2 HB VAL 2 -6.417 -5.679 -5.200 9 HG11 VAL 2 1HG1 VAL 2 -6.716 -3.597 -3.038 10 HG12 VAL 2 2HG1 VAL 2 -7.269 -3.457 -4.707 11 HG13 VAL 2 3HG1 VAL 2 -5.542 -3.549 -4.354 12 HG21 VAL 2 3HG2 VAL 2 -5.640 -5.804 -2.288 13 HG22 VAL 2 1HG2 VAL 2 -4.527 -5.696 -3.651 14 HG23 VAL 2 2HG2 VAL 2 -5.533 -7.129 -3.446 15 H VAL 3 H VAL 3 -7.590 -7.370 -1.699 16 HA VAL 3 HA VAL 3 -8.013 -5.233 0.229 17 HB VAL 3 HB VAL 3 -9.645 -6.546 1.537 18 HG11 VAL 3 1HG1 VAL 3 -11.588 -6.122 0.105 19 HG12 VAL 3 2HG1 VAL 3 -10.520 -5.937 -1.284 20 HG13 VAL 3 3HG1 VAL 3 -10.436 -4.788 0.051 21 HG21 VAL 3 3HG2 VAL 3 -9.705 -8.341 -0.887 22 HG22 VAL 3 1HG2 VAL 3 -10.809 -8.431 0.485 23 HG23 VAL 3 2HG2 VAL 3 -9.092 -8.768 0.712 24 H ARG 4 H ARG 4 -5.694 -6.667 -0.480 25 HA ARG 4 HA ARG 4 -5.144 -8.001 2.073 26 HB2 ARG 4 2HB ARG 4 -4.549 -9.057 -0.678 27 HB3 ARG 4 1HB ARG 4 -3.621 -9.573 0.723 28 HG2 ARG 4 2HG ARG 4 -6.607 -9.833 0.449 29 HG3 ARG 4 1HG ARG 4 -5.441 -11.124 0.145 30 HD2 ARG 4 2HD ARG 4 -4.666 -10.955 2.465 31 HD3 ARG 4 1HD ARG 4 -5.847 -9.681 2.764 32 HE ARG 4 HE ARG 4 -7.268 -11.843 1.811 33 HH11 ARG 4 1HH1 ARG 4 -5.221 -11.147 4.548 34 HH12 ARG 4 2HH1 ARG 4 -6.025 -12.268 5.595 35 HH21 ARG 4 1HH2 ARG 4 -8.327 -13.322 3.184 36 HH22 ARG 4 2HH2 ARG 4 -7.789 -13.502 4.821 37 H GLN 5 H GLN 5 -3.208 -7.556 2.973 38 HA GLN 5 HA GLN 5 -1.566 -5.550 1.603 39 HB2 GLN 5 2HB GLN 5 -0.670 -5.026 3.812 40 HB3 GLN 5 1HB GLN 5 -2.427 -4.953 3.822 41 HG2 GLN 5 2HG GLN 5 -2.507 -7.174 4.845 42 HG3 GLN 5 1HG GLN 5 -0.744 -7.228 4.852 43 HE21 GLN 5 1HE2 GLN 5 -0.641 -7.411 7.081 44 HE22 GLN 5 2HE2 GLN 5 -0.994 -6.091 8.136 45 H TRP 6 H TRP 6 0.828 -5.662 2.140 46 HA TRP 6 HA TRP 6 2.023 -8.150 2.778 47 HB2 TRP 6 2HB TRP 6 2.829 -8.857 0.630 48 HB3 TRP 6 1HB TRP 6 1.087 -8.655 0.500 49 HD1 TRP 6 HD TRP 6 0.881 -5.583 -0.073 50 HE1 TRP 6 1HE TRP 6 1.738 -4.614 -2.299 51 HE3 TRP 6 3HE TRP 6 4.111 -9.319 -1.392 52 HZ2 TRP 6 2HZ TRP 6 3.545 -5.339 -4.342 53 HZ3 TRP 6 3HZ TRP 6 5.367 -9.104 -3.499 54 HH2 TRP 6 HH TRP 6 5.086 -7.155 -4.943 55 H SER 7 H SER 7 4.419 -7.948 1.410 56 HA SER 7 HA SER 7 5.533 -5.562 2.651 57 HB2 SER 7 2HB SER 7 6.891 -7.949 1.373 58 HB3 SER 7 1HB SER 7 7.720 -6.636 2.213 59 HG SER 7 HG SER 7 6.786 -7.270 4.114 60 H GLY 8 H GLY 8 4.038 -4.801 0.531 61 HA2 GLY 8 2HA GLY 8 5.986 -4.313 -1.633 62 HA3 GLY 8 1HA GLY 8 4.241 -4.297 -1.839 63 H TYR 9 H TYR 9 3.881 -2.785 0.687 64 HA TYR 9 HA TYR 9 3.764 -0.206 -0.360 65 HB2 TYR 9 2HB TYR 9 2.384 -0.840 1.517 66 HB3 TYR 9 1HB TYR 9 3.802 -1.134 2.517 67 HD1 TYR 9 2HD TYR 9 1.906 1.536 0.767 68 HD2 TYR 9 1HD TYR 9 4.760 0.604 3.780 69 HE1 TYR 9 2HE TYR 9 1.813 3.861 1.563 70 HE2 TYR 9 1HE TYR 9 4.675 2.926 4.587 71 HH TYR 9 HH TYR 9 2.274 5.123 3.616 72 H ASP 10 H ASP 10 5.099 1.518 -0.369 73 HA ASP 10 HA ASP 10 7.814 1.097 0.680 74 HB2 ASP 10 2HB ASP 10 7.677 1.391 -1.763 75 HB3 ASP 10 1HB ASP 10 6.892 2.951 -1.526 76 HA PRO 11 HA PRO 11 6.339 4.263 3.599 77 HB2 PRO 11 2HB PRO 11 8.932 3.735 4.887 78 HB3 PRO 11 1HB PRO 11 7.296 3.566 5.547 79 HG2 PRO 11 2HG PRO 11 8.856 1.457 4.975 80 HG3 PRO 11 1HG PRO 11 7.087 1.411 4.866 81 HD2 PRO 11 2HD PRO 11 9.108 1.600 2.693 82 HD3 PRO 11 1HD PRO 11 7.539 0.771 2.714 83 H ARG 12 H ARG 12 9.591 3.927 2.271 84 HA ARG 12 HA ARG 12 10.605 6.450 2.782 85 HB2 ARG 12 2HB ARG 12 11.060 4.740 0.330 86 HB3 ARG 12 1HB ARG 12 12.077 6.080 0.840 87 HG2 ARG 12 2HG ARG 12 12.693 4.902 2.854 88 HG3 ARG 12 1HG ARG 12 11.592 3.583 2.449 89 HD2 ARG 12 2HD ARG 12 13.972 4.435 0.803 90 HD3 ARG 12 1HD ARG 12 13.940 3.061 1.908 91 HE ARG 12 HE ARG 12 11.878 2.965 -0.082 92 HH11 ARG 12 2HH1 ARG 12 15.218 2.219 0.594 93 HH12 ARG 12 1HH1 ARG 12 15.314 0.971 -0.603 94 HH21 ARG 12 1HH2 ARG 12 12.000 1.324 -1.658 95 HH22 ARG 12 2HH2 ARG 12 13.486 0.462 -1.883 96 H THR 13 H THR 13 8.243 5.464 0.407 97 HA THR 13 HA THR 13 8.160 8.233 -0.589 98 HB THR 13 HB THR 13 7.193 7.370 -2.683 99 HG1 THR 13 1HG THR 13 7.391 5.029 -2.986 100 HG21 THR 13 3HG2 THR 13 9.609 7.720 -2.545 101 HG22 THR 13 1HG2 THR 13 9.231 6.342 -3.580 102 HG23 THR 13 2HG2 THR 13 9.820 6.077 -1.938 103 H GLY 14 H GLY 14 6.661 6.429 1.529 104 HA2 GLY 14 2HA GLY 14 4.509 6.193 2.332 105 HA3 GLY 14 1HA GLY 14 4.416 7.895 1.914 106 H THR 15 H THR 15 4.529 4.952 -0.099 107 HA THR 15 HA THR 15 1.787 5.316 -0.922 108 HB THR 15 HB THR 15 2.347 5.458 -3.351 109 HG1 THR 15 1HG THR 15 4.523 4.800 -3.268 110 HG21 THR 15 3HG2 THR 15 3.359 7.774 -1.695 111 HG22 THR 15 1HG2 THR 15 1.666 7.450 -2.070 112 HG23 THR 15 2HG2 THR 15 2.795 7.851 -3.365 113 H TRP 16 H TRP 16 0.957 3.550 -2.110 114 HA TRP 16 HA TRP 16 2.415 1.085 -1.644 115 HB2 TRP 16 2HB TRP 16 -0.405 1.774 -2.382 116 HB3 TRP 16 1HB TRP 16 0.188 0.140 -2.663 117 HD1 TRP 16 HD TRP 16 -0.891 2.495 0.111 118 HE1 TRP 16 1HE TRP 16 -0.998 1.189 2.328 119 HE3 TRP 16 3HE TRP 16 1.300 -1.867 -1.409 120 HZ2 TRP 16 2HZ TRP 16 -0.250 -1.354 3.302 121 HZ3 TRP 16 3HZ TRP 16 1.567 -3.685 0.227 122 HH2 TRP 16 HH TRP 16 0.810 -3.431 2.534 123 H ARG 17 H ARG 17 2.409 -0.614 -3.356 124 HA ARG 17 HA ARG 17 3.750 0.309 -5.642 125 HB2 ARG 17 2HB ARG 17 2.575 -2.367 -4.923 126 HB3 ARG 17 1HB ARG 17 3.419 -2.096 -6.442 127 HG2 ARG 17 2HG ARG 17 4.626 -1.610 -3.728 128 HG3 ARG 17 1HG ARG 17 4.813 -3.103 -4.651 129 HD2 ARG 17 2HD ARG 17 6.728 -1.926 -5.204 130 HD3 ARG 17 1HD ARG 17 5.642 -1.547 -6.541 131 HE ARG 17 HE ARG 17 5.387 0.396 -4.510 132 HH11 ARG 17 2HH1 ARG 17 7.591 -0.655 -7.004 133 HH12 ARG 17 1HH1 ARG 17 8.288 0.914 -7.220 134 HH21 ARG 17 2HH2 ARG 17 6.306 2.459 -4.794 135 HH22 ARG 17 1HH2 ARG 17 7.560 2.683 -5.967 136 H SER 18 H SER 18 0.961 -1.813 -6.033 137 HA SER 18 HA SER 18 -0.680 0.082 -7.347 138 HB2 SER 18 2HB SER 18 1.032 -0.081 -9.094 139 HB3 SER 18 1HB SER 18 0.840 -1.833 -9.134 140 HG SER 18 HG SER 18 -1.124 0.107 -9.798 141 H SER 19 H SER 19 0.224 -3.344 -7.181 142 HA SER 19 HA SER 19 -2.218 -4.467 -7.884 143 HB2 SER 19 2HB SER 19 -0.197 -5.810 -7.662 144 HB3 SER 19 1HB SER 19 -0.156 -5.503 -5.926 145 HG SER 19 HG SER 19 -2.350 -6.750 -7.211 146 H ILE 20 H ILE 20 -1.114 -3.220 -4.789 147 HA ILE 20 HA ILE 20 -3.722 -3.868 -3.601 148 HB ILE 20 HB ILE 20 -1.142 -3.026 -2.264 149 HG12 ILE 20 2HG1 ILE 20 -1.280 -5.335 -1.281 150 HG13 ILE 20 1HG1 ILE 20 -2.610 -5.668 -2.384 151 HG21 ILE 20 1HG2 ILE 20 -2.298 -3.476 -0.149 152 HG22 ILE 20 2HG2 ILE 20 -3.795 -3.767 -1.035 153 HG23 ILE 20 3HG2 ILE 20 -3.061 -2.163 -1.046 154 HD11 ILE 20 3HD1 ILE 20 -0.283 -6.466 -3.037 155 HD12 ILE 20 1HD1 ILE 20 0.068 -4.773 -3.381 156 HD13 ILE 20 2HD1 ILE 20 -1.221 -5.602 -4.256 157 H ALA 21 H ALA 21 -4.942 -2.269 -2.546 158 HA ALA 21 HA ALA 21 -5.104 0.209 -3.801 159 HB1 ALA 21 1HB ALA 21 -6.116 -0.513 -1.053 160 HB2 ALA 21 2HB ALA 21 -6.958 -0.821 -2.571 161 HB3 ALA 21 3HB ALA 21 -6.666 0.837 -2.046 162 H TYR 22 H TYR 22 -4.140 2.128 -3.520 163 HA TYR 22 HA TYR 22 -2.057 2.313 -1.483 164 HB2 TYR 22 2HB TYR 22 -1.223 4.219 -2.769 165 HB3 TYR 22 1HB TYR 22 -1.442 2.816 -3.812 166 HD1 TYR 22 2HD TYR 22 -3.348 2.742 -5.398 167 HD2 TYR 22 1HD TYR 22 -2.480 6.220 -3.108 168 HE1 TYR 22 2HE TYR 22 -4.749 4.081 -6.912 169 HE2 TYR 22 1HE TYR 22 -3.880 7.568 -4.613 170 HH TYR 22 HH TYR 22 -4.724 7.470 -6.926 171 H GLY 23 H GLY 23 -1.753 4.386 -0.351 172 HA2 GLY 23 2HA GLY 23 -2.615 6.420 0.535 173 HA3 GLY 23 1HA GLY 23 -4.222 5.928 0.024 174 H GLY 24 H GLY 24 -1.742 4.285 1.983 175 HA2 GLY 24 2HA GLY 24 -1.787 3.680 4.218 176 HA3 GLY 24 1HA GLY 24 -3.278 4.591 4.398 177 H GLY 25 H GLY 25 -2.787 2.052 2.020 178 HA2 GLY 25 2HA GLY 25 -5.131 0.673 2.931 179 HA3 GLY 25 1HA GLY 25 -4.070 0.173 1.623 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -13.150 -7.606 -4.939 2 H2 GLY 1 2HT GLY 1 -14.442 -6.541 -4.693 3 H3 GLY 1 3HT GLY 1 -13.545 -7.102 -3.373 4 HA2 GLY 1 1HA GLY 1 -12.530 -5.349 -5.543 5 HA3 GLY 1 2HA GLY 1 -12.938 -4.827 -3.916 6 H VAL 2 H VAL 2 -11.202 -4.486 -2.717 7 HA VAL 2 HA VAL 2 -9.012 -6.431 -2.810 8 HB VAL 2 HB VAL 2 -8.324 -4.573 -4.254 9 HG11 VAL 2 1HG1 VAL 2 -8.002 -2.334 -3.372 10 HG12 VAL 2 2HG1 VAL 2 -8.630 -2.841 -1.806 11 HG13 VAL 2 3HG1 VAL 2 -9.690 -2.817 -3.214 12 HG21 VAL 2 3HG2 VAL 2 -6.851 -4.651 -1.621 13 HG22 VAL 2 1HG2 VAL 2 -6.199 -4.049 -3.145 14 HG23 VAL 2 2HG2 VAL 2 -6.620 -5.752 -2.978 15 H VAL 3 H VAL 3 -8.415 -7.059 -0.841 16 HA VAL 3 HA VAL 3 -8.493 -5.242 1.409 17 HB VAL 3 HB VAL 3 -9.877 -6.718 2.819 18 HG11 VAL 3 1HG1 VAL 3 -11.302 -5.803 0.323 19 HG12 VAL 3 2HG1 VAL 3 -10.873 -4.776 1.691 20 HG13 VAL 3 3HG1 VAL 3 -12.033 -6.086 1.902 21 HG21 VAL 3 3HG2 VAL 3 -9.535 -8.812 1.624 22 HG22 VAL 3 1HG2 VAL 3 -10.432 -8.186 0.241 23 HG23 VAL 3 2HG2 VAL 3 -11.257 -8.458 1.776 24 H ARG 4 H ARG 4 -6.396 -6.569 0.067 25 HA ARG 4 HA ARG 4 -5.395 -8.254 2.256 26 HB2 ARG 4 2HB ARG 4 -5.051 -8.835 -0.692 27 HB3 ARG 4 1HB ARG 4 -4.293 -9.731 0.617 28 HG2 ARG 4 2HG ARG 4 -6.487 -10.425 1.424 29 HG3 ARG 4 1HG ARG 4 -7.256 -9.515 0.123 30 HD2 ARG 4 2HD ARG 4 -7.125 -11.875 -0.444 31 HD3 ARG 4 1HD ARG 4 -6.117 -10.919 -1.527 32 HE ARG 4 HE ARG 4 -4.499 -11.781 0.560 33 HH11 ARG 4 1HH1 ARG 4 -6.341 -13.186 -2.049 34 HH12 ARG 4 2HH1 ARG 4 -5.298 -14.561 -2.212 35 HH21 ARG 4 1HH2 ARG 4 -3.127 -13.587 0.349 36 HH22 ARG 4 2HH2 ARG 4 -3.474 -14.788 -0.849 37 H GLN 5 H GLN 5 -3.411 -7.729 2.944 38 HA GLN 5 HA GLN 5 -1.980 -5.629 1.486 39 HB2 GLN 5 2HB GLN 5 -0.770 -5.256 3.589 40 HB3 GLN 5 1HB GLN 5 -2.510 -5.149 3.820 41 HG2 GLN 5 2HG GLN 5 -2.530 -7.416 4.729 42 HG3 GLN 5 1HG GLN 5 -0.785 -7.521 4.499 43 HE21 GLN 5 1HE2 GLN 5 -2.365 -7.731 6.941 44 HE22 GLN 5 2HE2 GLN 5 -1.768 -6.508 8.005 45 H TRP 6 H TRP 6 0.513 -5.768 1.896 46 HA TRP 6 HA TRP 6 1.714 -8.327 2.062 47 HB2 TRP 6 2HB TRP 6 2.354 -8.692 -0.230 48 HB3 TRP 6 1HB TRP 6 0.609 -8.486 -0.184 49 HD1 TRP 6 HD TRP 6 0.345 -5.377 -0.275 50 HE1 TRP 6 1HE TRP 6 1.027 -4.066 -2.384 51 HE3 TRP 6 3HE TRP 6 3.494 -8.809 -2.380 52 HZ2 TRP 6 2HZ TRP 6 2.680 -4.442 -4.642 53 HZ3 TRP 6 3HZ TRP 6 4.586 -8.256 -4.514 54 HH2 TRP 6 HH TRP 6 4.186 -6.117 -5.621 55 H SER 7 H SER 7 4.002 -7.887 0.513 56 HA SER 7 HA SER 7 5.250 -5.767 2.062 57 HB2 SER 7 2HB SER 7 6.460 -7.837 0.213 58 HB3 SER 7 1HB SER 7 7.373 -6.712 1.219 59 HG SER 7 HG SER 7 7.139 -8.075 2.785 60 H GLY 8 H GLY 8 3.521 -4.709 0.199 61 HA2 GLY 8 2HA GLY 8 5.328 -3.684 -1.899 62 HA3 GLY 8 1HA GLY 8 3.584 -3.806 -2.075 63 H TYR 9 H TYR 9 5.181 -2.653 0.827 64 HA TYR 9 HA TYR 9 3.876 -0.058 0.435 65 HB2 TYR 9 2HB TYR 9 3.346 -1.173 2.527 66 HB3 TYR 9 1HB TYR 9 5.056 -1.340 2.908 67 HD1 TYR 9 2HD TYR 9 2.282 1.074 2.572 68 HD2 TYR 9 1HD TYR 9 6.283 0.457 3.879 69 HE1 TYR 9 2HE TYR 9 2.228 3.237 3.739 70 HE2 TYR 9 1HE TYR 9 6.240 2.618 5.050 71 HH TYR 9 HH TYR 9 3.372 4.360 5.592 72 H ASP 10 H ASP 10 5.021 1.659 -0.149 73 HA ASP 10 HA ASP 10 7.946 1.521 0.031 74 HB2 ASP 10 2HB ASP 10 6.971 1.916 -2.207 75 HB3 ASP 10 1HB ASP 10 6.211 3.385 -1.602 76 HA PRO 11 HA PRO 11 7.047 4.382 3.511 77 HB2 PRO 11 2HB PRO 11 9.571 4.064 4.590 78 HB3 PRO 11 1HB PRO 11 8.178 3.043 4.986 79 HG2 PRO 11 2HG PRO 11 10.430 2.515 3.126 80 HG3 PRO 11 1HG PRO 11 9.583 1.410 4.227 81 HD2 PRO 11 2HD PRO 11 9.106 1.431 1.576 82 HD3 PRO 11 1HD PRO 11 7.838 1.072 2.767 83 H ARG 12 H ARG 12 9.575 4.262 1.125 84 HA ARG 12 HA ARG 12 10.896 6.670 1.714 85 HB2 ARG 12 2HB ARG 12 10.504 5.310 -0.960 86 HB3 ARG 12 1HB ARG 12 11.666 6.589 -0.633 87 HG2 ARG 12 2HG ARG 12 12.820 5.149 0.958 88 HG3 ARG 12 1HG ARG 12 11.646 3.867 0.656 89 HD2 ARG 12 2HD ARG 12 13.497 5.079 -1.395 90 HD3 ARG 12 1HD ARG 12 13.725 3.522 -0.599 91 HE ARG 12 HE ARG 12 11.198 3.638 -1.875 92 HH11 ARG 12 2HH1 ARG 12 14.602 3.277 -2.548 93 HH12 ARG 12 1HH1 ARG 12 14.347 2.376 -4.005 94 HH21 ARG 12 1HH2 ARG 12 10.860 2.453 -3.790 95 HH22 ARG 12 2HH2 ARG 12 12.222 1.909 -4.710 96 H THR 13 H THR 13 7.984 5.969 -0.129 97 HA THR 13 HA THR 13 7.559 8.867 -0.425 98 HB THR 13 HB THR 13 6.235 8.409 -2.447 99 HG1 THR 13 1HG THR 13 5.638 6.248 -1.989 100 HG21 THR 13 3HG2 THR 13 9.016 7.235 -2.553 101 HG22 THR 13 1HG2 THR 13 8.613 8.948 -2.678 102 HG23 THR 13 2HG2 THR 13 8.092 7.824 -3.934 103 H GLY 14 H GLY 14 6.715 6.712 1.596 104 HA2 GLY 14 2HA GLY 14 4.842 6.129 2.804 105 HA3 GLY 14 1HA GLY 14 4.379 7.795 2.506 106 H THR 15 H THR 15 4.631 5.015 0.298 107 HA THR 15 HA THR 15 1.754 4.876 0.025 108 HB THR 15 HB THR 15 1.803 5.202 -2.444 109 HG1 THR 15 1HG THR 15 3.644 5.592 -3.419 110 HG21 THR 15 3HG2 THR 15 1.064 7.005 -0.948 111 HG22 THR 15 1HG2 THR 15 1.865 7.641 -2.386 112 HG23 THR 15 2HG2 THR 15 2.723 7.595 -0.846 113 H TRP 16 H TRP 16 1.055 3.074 -1.285 114 HA TRP 16 HA TRP 16 2.815 0.816 -1.017 115 HB2 TRP 16 2HB TRP 16 0.013 1.088 -2.118 116 HB3 TRP 16 1HB TRP 16 0.862 -0.448 -1.976 117 HD1 TRP 16 HD TRP 16 -0.798 2.264 0.158 118 HE1 TRP 16 1HE TRP 16 -1.219 1.314 2.512 119 HE3 TRP 16 3HE TRP 16 1.687 -2.181 -0.300 120 HZ2 TRP 16 2HZ TRP 16 -0.584 -1.008 3.981 121 HZ3 TRP 16 3HZ TRP 16 1.732 -3.710 1.627 122 HH2 TRP 16 HH TRP 16 0.620 -3.135 3.722 123 H ARG 17 H ARG 17 2.521 -0.820 -3.054 124 HA ARG 17 HA ARG 17 4.057 0.427 -5.133 125 HB2 ARG 17 2HB ARG 17 3.071 -2.389 -4.717 126 HB3 ARG 17 1HB ARG 17 3.962 -1.904 -6.153 127 HG2 ARG 17 2HG ARG 17 4.968 -1.682 -3.324 128 HG3 ARG 17 1HG ARG 17 5.393 -2.958 -4.467 129 HD2 ARG 17 2HD ARG 17 6.339 -1.263 -5.976 130 HD3 ARG 17 1HD ARG 17 5.948 -0.012 -4.797 131 HE ARG 17 HE ARG 17 7.488 -1.878 -3.466 132 HH11 ARG 17 2HH1 ARG 17 7.867 0.254 -6.202 133 HH12 ARG 17 1HH1 ARG 17 9.573 0.442 -5.979 134 HH21 ARG 17 2HH2 ARG 17 9.733 -1.631 -3.169 135 HH22 ARG 17 1HH2 ARG 17 10.633 -0.628 -4.257 136 H SER 18 H SER 18 1.408 -1.843 -5.745 137 HA SER 18 HA SER 18 -0.295 0.047 -7.001 138 HB2 SER 18 2HB SER 18 1.410 -1.677 -8.814 139 HB3 SER 18 1HB SER 18 -0.018 -0.787 -9.341 140 HG SER 18 HG SER 18 2.474 0.196 -8.475 141 H SER 19 H SER 19 0.760 -3.330 -6.889 142 HA SER 19 HA SER 19 -1.498 -4.618 -7.791 143 HB2 SER 19 2HB SER 19 0.315 -5.467 -5.520 144 HB3 SER 19 1HB SER 19 -0.804 -6.527 -6.378 145 HG SER 19 HG SER 19 0.411 -5.827 -8.324 146 H ILE 20 H ILE 20 -0.920 -3.197 -4.630 147 HA ILE 20 HA ILE 20 -3.691 -3.866 -3.878 148 HB ILE 20 HB ILE 20 -1.408 -3.191 -2.016 149 HG12 ILE 20 2HG1 ILE 20 -1.023 -5.347 -3.100 150 HG13 ILE 20 1HG1 ILE 20 -1.458 -5.583 -1.410 151 HG21 ILE 20 1HG2 ILE 20 -4.225 -4.134 -1.506 152 HG22 ILE 20 2HG2 ILE 20 -3.523 -2.577 -1.063 153 HG23 ILE 20 3HG2 ILE 20 -2.962 -4.054 -0.278 154 HD11 ILE 20 3HD1 ILE 20 -3.291 -5.918 -3.773 155 HD12 ILE 20 1HD1 ILE 20 -3.740 -6.142 -2.083 156 HD13 ILE 20 2HD1 ILE 20 -2.552 -7.212 -2.830 157 H ALA 21 H ALA 21 -4.877 -2.253 -2.670 158 HA ALA 21 HA ALA 21 -4.918 0.254 -3.831 159 HB1 ALA 21 1HB ALA 21 -6.790 -0.705 -2.571 160 HB2 ALA 21 2HB ALA 21 -6.401 0.928 -2.027 161 HB3 ALA 21 3HB ALA 21 -5.896 -0.465 -1.070 162 H TYR 22 H TYR 22 -3.650 1.973 -3.687 163 HA TYR 22 HA TYR 22 -1.573 2.067 -1.670 164 HB2 TYR 22 2HB TYR 22 -0.667 3.927 -2.951 165 HB3 TYR 22 1HB TYR 22 -1.053 2.588 -4.029 166 HD1 TYR 22 1HD TYR 22 -3.106 2.718 -5.455 167 HD2 TYR 22 2HD TYR 22 -1.706 6.043 -3.202 168 HE1 TYR 22 1HE TYR 22 -4.468 4.226 -6.843 169 HE2 TYR 22 2HE TYR 22 -3.065 7.559 -4.581 170 HH TYR 22 HH TYR 22 -4.090 7.596 -6.813 171 H GLY 23 H GLY 23 -1.100 4.109 -0.531 172 HA2 GLY 23 2HA GLY 23 -1.697 5.893 0.801 173 HA3 GLY 23 1HA GLY 23 -3.153 6.058 -0.168 174 H GLY 24 H GLY 24 -1.720 4.027 2.377 175 HA2 GLY 24 2HA GLY 24 -2.897 3.842 4.497 176 HA3 GLY 24 1HA GLY 24 -4.404 3.881 3.595 177 H GLY 25 H GLY 25 -3.942 2.041 1.610 178 HA2 GLY 25 2HA GLY 25 -3.403 -0.236 1.230 179 HA3 GLY 25 1HA GLY 25 -3.111 -0.428 2.952 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -12.475 -0.512 -2.246 2 H2 GLY 1 2HT GLY 1 -11.389 -1.297 -3.277 3 H3 GLY 1 3HT GLY 1 -10.950 -0.973 -1.675 4 HA2 GLY 1 1HA GLY 1 -12.657 -2.480 -0.867 5 HA3 GLY 1 2HA GLY 1 -13.119 -2.813 -2.530 6 H VAL 2 H VAL 2 -9.931 -2.537 -0.973 7 HA VAL 2 HA VAL 2 -9.203 -5.106 -2.175 8 HB VAL 2 HB VAL 2 -7.715 -3.171 -2.572 9 HG11 VAL 2 1HG1 VAL 2 -8.014 -1.974 -0.493 10 HG12 VAL 2 2HG1 VAL 2 -6.305 -2.346 -0.722 11 HG13 VAL 2 3HG1 VAL 2 -7.271 -3.295 0.409 12 HG21 VAL 2 3HG2 VAL 2 -6.875 -5.504 -2.573 13 HG22 VAL 2 1HG2 VAL 2 -6.402 -5.297 -0.889 14 HG23 VAL 2 2HG2 VAL 2 -5.645 -4.317 -2.142 15 H VAL 3 H VAL 3 -7.952 -6.657 -0.889 16 HA VAL 3 HA VAL 3 -8.113 -6.457 1.993 17 HB VAL 3 HB VAL 3 -9.383 -8.550 2.281 18 HG11 VAL 3 1HG1 VAL 3 -10.500 -6.358 2.429 19 HG12 VAL 3 2HG1 VAL 3 -11.583 -7.629 1.863 20 HG13 VAL 3 3HG1 VAL 3 -10.909 -6.470 0.718 21 HG21 VAL 3 3HG2 VAL 3 -10.676 -9.458 0.404 22 HG22 VAL 3 1HG2 VAL 3 -8.941 -9.566 0.114 23 HG23 VAL 3 2HG2 VAL 3 -9.892 -8.314 -0.684 24 H ARG 4 H ARG 4 -5.887 -6.635 0.338 25 HA ARG 4 HA ARG 4 -4.690 -9.068 1.349 26 HB2 ARG 4 2HB ARG 4 -4.630 -8.468 -1.612 27 HB3 ARG 4 1HB ARG 4 -3.810 -9.794 -0.800 28 HG2 ARG 4 2HG ARG 4 -5.957 -10.762 -0.181 29 HG3 ARG 4 1HG ARG 4 -6.793 -9.422 -0.967 30 HD2 ARG 4 2HD ARG 4 -6.754 -11.366 -2.422 31 HD3 ARG 4 1HD ARG 4 -5.789 -10.061 -3.109 32 HE ARG 4 HE ARG 4 -4.086 -11.694 -1.623 33 HH11 ARG 4 1HH1 ARG 4 -6.058 -11.885 -4.496 34 HH12 ARG 4 2HH1 ARG 4 -5.049 -13.067 -5.260 35 HH21 ARG 4 1HH2 ARG 4 -2.758 -13.247 -2.626 36 HH22 ARG 4 2HH2 ARG 4 -3.175 -13.840 -4.199 37 H GLN 5 H GLN 5 -3.124 -8.100 2.473 38 HA GLN 5 HA GLN 5 -1.572 -5.959 1.208 39 HB2 GLN 5 2HB GLN 5 -2.412 -5.343 3.355 40 HB3 GLN 5 1HB GLN 5 -1.839 -6.835 4.082 41 HG2 GLN 5 2HG GLN 5 0.457 -6.131 3.802 42 HG3 GLN 5 1HG GLN 5 -0.069 -4.671 2.965 43 HE21 GLN 5 1HE2 GLN 5 0.914 -3.323 4.459 44 HE22 GLN 5 2HE2 GLN 5 0.295 -3.100 6.056 45 H TRP 6 H TRP 6 0.781 -5.949 1.588 46 HA TRP 6 HA TRP 6 2.106 -8.423 2.181 47 HB2 TRP 6 2HB TRP 6 3.004 -8.894 0.006 48 HB3 TRP 6 1HB TRP 6 1.262 -8.738 -0.175 49 HD1 TRP 6 HD TRP 6 0.549 -6.019 -0.889 50 HE1 TRP 6 1HE TRP 6 1.595 -4.652 -2.801 51 HE3 TRP 6 3HE TRP 6 4.942 -8.576 -1.390 52 HZ2 TRP 6 2HZ TRP 6 3.984 -4.658 -4.318 53 HZ3 TRP 6 3HZ TRP 6 6.554 -7.833 -3.094 54 HH2 TRP 6 HH TRP 6 6.082 -5.914 -4.527 55 H SER 7 H SER 7 4.474 -7.704 0.572 56 HA SER 7 HA SER 7 5.443 -5.561 2.302 57 HB2 SER 7 2HB SER 7 7.690 -6.290 1.584 58 HB3 SER 7 1HB SER 7 6.753 -7.628 2.247 59 HG SER 7 HG SER 7 7.861 -7.409 -0.171 60 H GLY 8 H GLY 8 3.711 -4.790 0.196 61 HA2 GLY 8 2HA GLY 8 5.448 -3.675 -1.872 62 HA3 GLY 8 1HA GLY 8 3.692 -3.644 -1.864 63 H TYR 9 H TYR 9 3.618 -2.651 0.922 64 HA TYR 9 HA TYR 9 3.372 0.064 0.442 65 HB2 TYR 9 2HB TYR 9 2.348 -1.023 2.373 66 HB3 TYR 9 1HB TYR 9 3.936 -1.329 3.069 67 HD1 TYR 9 1HD TYR 9 1.677 1.435 2.007 68 HD2 TYR 9 2HD TYR 9 4.903 0.235 4.508 69 HE1 TYR 9 1HE TYR 9 1.576 3.601 3.170 70 HE2 TYR 9 2HE TYR 9 4.810 2.397 5.677 71 HH TYR 9 HH TYR 9 4.020 4.689 5.250 72 H ASP 10 H ASP 10 4.878 1.461 -0.153 73 HA ASP 10 HA ASP 10 7.636 1.084 0.754 74 HB2 ASP 10 2HB ASP 10 7.234 1.348 -1.670 75 HB3 ASP 10 1HB ASP 10 6.538 2.938 -1.371 76 HA PRO 11 HA PRO 11 6.662 4.323 3.764 77 HB2 PRO 11 2HB PRO 11 9.452 3.906 4.597 78 HB3 PRO 11 1HB PRO 11 7.959 3.690 5.527 79 HG2 PRO 11 2HG PRO 11 9.477 1.626 4.731 80 HG3 PRO 11 1HG PRO 11 7.714 1.518 4.908 81 HD2 PRO 11 2HD PRO 11 9.352 1.770 2.433 82 HD3 PRO 11 1HD PRO 11 7.859 0.851 2.715 83 H ARG 12 H ARG 12 9.676 4.074 1.926 84 HA ARG 12 HA ARG 12 10.680 6.623 2.225 85 HB2 ARG 12 2HB ARG 12 10.706 5.068 -0.365 86 HB3 ARG 12 1HB ARG 12 11.856 6.296 0.143 87 HG2 ARG 12 2HG ARG 12 12.575 4.822 1.982 88 HG3 ARG 12 1HG ARG 12 11.471 3.582 1.385 89 HD2 ARG 12 2HD ARG 12 12.689 3.757 -0.828 90 HD3 ARG 12 1HD ARG 12 13.899 4.715 0.024 91 HE ARG 12 HE ARG 12 13.324 2.175 1.248 92 HH11 ARG 12 2HH1 ARG 12 15.281 3.856 -1.102 93 HH12 ARG 12 1HH1 ARG 12 16.557 2.687 -1.062 94 HH21 ARG 12 1HH2 ARG 12 15.003 0.636 1.304 95 HH22 ARG 12 2HH2 ARG 12 16.399 0.858 0.303 96 H THR 13 H THR 13 8.318 5.494 -0.180 97 HA THR 13 HA THR 13 7.830 8.277 -0.951 98 HB THR 13 HB THR 13 6.810 7.469 -2.954 99 HG1 THR 13 1HG THR 13 5.659 5.695 -2.231 100 HG21 THR 13 3HG2 THR 13 9.251 7.443 -2.974 101 HG22 THR 13 1HG2 THR 13 8.613 6.116 -3.944 102 HG23 THR 13 2HG2 THR 13 9.253 5.799 -2.332 103 H GLY 14 H GLY 14 6.734 6.446 1.371 104 HA2 GLY 14 2HA GLY 14 4.731 6.110 2.468 105 HA3 GLY 14 1HA GLY 14 4.478 7.792 2.034 106 H THR 15 H THR 15 4.674 5.238 -0.361 107 HA THR 15 HA THR 15 1.771 5.159 -0.616 108 HB THR 15 HB THR 15 1.884 5.586 -3.060 109 HG1 THR 15 1HG THR 15 3.756 5.938 -4.000 110 HG21 THR 15 3HG2 THR 15 1.217 7.379 -1.545 111 HG22 THR 15 1HG2 THR 15 2.144 8.026 -2.898 112 HG23 THR 15 2HG2 THR 15 2.905 7.834 -1.319 113 H TRP 16 H TRP 16 0.987 3.405 -1.855 114 HA TRP 16 HA TRP 16 2.654 1.075 -1.720 115 HB2 TRP 16 2HB TRP 16 -0.156 1.488 -2.755 116 HB3 TRP 16 1HB TRP 16 0.627 -0.083 -2.626 117 HD1 TRP 16 HD TRP 16 -0.035 2.874 -0.182 118 HE1 TRP 16 1HE TRP 16 -0.792 1.878 2.067 119 HE3 TRP 16 3HE TRP 16 0.238 -2.093 -1.361 120 HZ2 TRP 16 2HZ TRP 16 -1.216 -0.673 3.192 121 HZ3 TRP 16 3HZ TRP 16 -0.360 -3.746 0.361 122 HH2 TRP 16 HH TRP 16 -1.071 -3.049 2.589 123 H ARG 17 H ARG 17 2.953 -0.411 -3.548 124 HA ARG 17 HA ARG 17 3.327 1.061 -6.072 125 HB2 ARG 17 2HB ARG 17 5.213 -0.468 -6.529 126 HB3 ARG 17 1HB ARG 17 5.462 0.497 -5.080 127 HG2 ARG 17 2HG ARG 17 4.814 -1.407 -3.697 128 HG3 ARG 17 1HG ARG 17 4.560 -2.376 -5.152 129 HD2 ARG 17 2HD ARG 17 6.926 -2.070 -5.747 130 HD3 ARG 17 1HD ARG 17 7.167 -1.142 -4.265 131 HE ARG 17 HE ARG 17 6.083 -3.734 -3.753 132 HH11 ARG 17 2HH1 ARG 17 9.042 -2.014 -4.439 133 HH12 ARG 17 1HH1 ARG 17 10.052 -3.190 -3.666 134 HH21 ARG 17 2HH2 ARG 17 7.409 -5.281 -2.734 135 HH22 ARG 17 1HH2 ARG 17 9.125 -5.045 -2.699 136 H SER 18 H SER 18 2.225 -1.886 -4.576 137 HA SER 18 HA SER 18 1.715 -3.244 -7.058 138 HB2 SER 18 2HB SER 18 0.578 -4.923 -5.615 139 HB3 SER 18 1HB SER 18 2.217 -4.560 -5.081 140 HG SER 18 HG SER 18 0.009 -3.174 -4.010 141 H SER 19 H SER 19 -0.693 -4.317 -6.984 142 HA SER 19 HA SER 19 -2.403 -2.225 -7.821 143 HB2 SER 19 2HB SER 19 -2.536 -4.464 -8.796 144 HB3 SER 19 1HB SER 19 -3.034 -5.129 -7.240 145 HG SER 19 HG SER 19 -4.753 -4.621 -8.805 146 H ILE 20 H ILE 20 -1.784 -3.574 -4.734 147 HA ILE 20 HA ILE 20 -4.252 -3.340 -3.470 148 HB ILE 20 HB ILE 20 -1.567 -2.748 -2.220 149 HG12 ILE 20 2HG1 ILE 20 -1.389 -4.910 -3.210 150 HG13 ILE 20 1HG1 ILE 20 -1.722 -5.176 -1.499 151 HG21 ILE 20 1HG2 ILE 20 -3.437 -2.046 -0.840 152 HG22 ILE 20 2HG2 ILE 20 -2.657 -3.464 -0.138 153 HG23 ILE 20 3HG2 ILE 20 -4.182 -3.636 -1.008 154 HD11 ILE 20 3HD1 ILE 20 -2.992 -6.699 -2.899 155 HD12 ILE 20 1HD1 ILE 20 -3.733 -5.335 -3.733 156 HD13 ILE 20 2HD1 ILE 20 -4.064 -5.606 -2.023 157 H ALA 21 H ALA 21 -5.198 -1.685 -2.220 158 HA ALA 21 HA ALA 21 -5.330 0.824 -3.321 159 HB1 ALA 21 1HB ALA 21 -6.962 -0.072 -1.721 160 HB2 ALA 21 2HB ALA 21 -6.429 1.553 -1.287 161 HB3 ALA 21 3HB ALA 21 -5.794 0.155 -0.419 162 H TYR 22 H TYR 22 -3.928 2.427 -3.490 163 HA TYR 22 HA TYR 22 -1.533 2.459 -1.875 164 HB2 TYR 22 2HB TYR 22 -0.792 4.258 -3.335 165 HB3 TYR 22 1HB TYR 22 -1.440 2.935 -4.300 166 HD1 TYR 22 2HD TYR 22 -3.737 3.164 -5.299 167 HD2 TYR 22 1HD TYR 22 -1.734 6.425 -3.440 168 HE1 TYR 22 2HE TYR 22 -5.257 4.734 -6.425 169 HE2 TYR 22 1HE TYR 22 -3.250 8.003 -4.561 170 HH TYR 22 HH TYR 22 -6.098 7.023 -6.122 171 H GLY 23 H GLY 23 -0.755 4.559 -0.966 172 HA2 GLY 23 2HA GLY 23 -0.991 6.242 0.576 173 HA3 GLY 23 1HA GLY 23 -2.463 6.668 -0.286 174 H GLY 24 H GLY 24 -2.066 3.527 1.175 175 HA2 GLY 24 2HA GLY 24 -2.780 3.543 3.690 176 HA3 GLY 24 1HA GLY 24 -4.269 4.172 3.000 177 H GLY 25 H GLY 25 -3.835 1.702 4.496 178 HA2 GLY 25 2HA GLY 25 -4.275 -0.350 2.443 179 HA3 GLY 25 1HA GLY 25 -3.924 -0.649 4.140 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -16.179 -6.704 -4.855 2 H2 GLY 1 2HT GLY 1 -16.147 -5.835 -3.404 3 H3 GLY 1 3HT GLY 1 -15.846 -7.500 -3.400 4 HA2 GLY 1 1HA GLY 1 -13.823 -7.171 -4.679 5 HA3 GLY 1 2HA GLY 1 -14.137 -5.442 -4.690 6 H VAL 2 H VAL 2 -12.504 -7.900 -3.149 7 HA VAL 2 HA VAL 2 -11.857 -6.123 -0.913 8 HB VAL 2 HB VAL 2 -13.514 -7.710 -0.042 9 HG11 VAL 2 1HG1 VAL 2 -13.033 -10.094 0.075 10 HG12 VAL 2 2HG1 VAL 2 -11.536 -9.850 -0.822 11 HG13 VAL 2 3HG1 VAL 2 -13.089 -9.550 -1.602 12 HG21 VAL 2 3HG2 VAL 2 -12.199 -8.566 1.849 13 HG22 VAL 2 1HG2 VAL 2 -11.781 -6.898 1.457 14 HG23 VAL 2 2HG2 VAL 2 -10.714 -8.213 0.963 15 H VAL 3 H VAL 3 -9.732 -5.951 -0.598 16 HA VAL 3 HA VAL 3 -7.982 -7.985 -1.817 17 HB VAL 3 HB VAL 3 -6.298 -6.259 -2.130 18 HG11 VAL 3 1HG1 VAL 3 -7.909 -6.598 -3.919 19 HG12 VAL 3 2HG1 VAL 3 -7.430 -4.903 -3.828 20 HG13 VAL 3 3HG1 VAL 3 -8.993 -5.413 -3.188 21 HG21 VAL 3 3HG2 VAL 3 -6.819 -4.875 -0.188 22 HG22 VAL 3 1HG2 VAL 3 -8.324 -4.357 -0.950 23 HG23 VAL 3 2HG2 VAL 3 -6.773 -3.906 -1.660 24 H ARG 4 H ARG 4 -5.600 -7.487 -0.743 25 HA ARG 4 HA ARG 4 -5.918 -7.376 2.163 26 HB2 ARG 4 2HB ARG 4 -4.576 -9.382 2.486 27 HB3 ARG 4 1HB ARG 4 -6.017 -9.752 1.550 28 HG2 ARG 4 2HG ARG 4 -3.447 -9.150 0.157 29 HG3 ARG 4 1HG ARG 4 -3.732 -10.747 0.848 30 HD2 ARG 4 2HD ARG 4 -5.799 -10.928 -0.471 31 HD3 ARG 4 1HD ARG 4 -5.474 -9.350 -1.182 32 HE ARG 4 HE ARG 4 -3.237 -10.922 -1.646 33 HH11 ARG 4 1HH1 ARG 4 -6.617 -10.914 -2.517 34 HH12 ARG 4 2HH1 ARG 4 -6.358 -11.717 -4.028 35 HH21 ARG 4 1HH2 ARG 4 -2.895 -11.978 -3.635 36 HH22 ARG 4 2HH2 ARG 4 -4.246 -12.321 -4.664 37 H GLN 5 H GLN 5 -3.665 -7.450 3.229 38 HA GLN 5 HA GLN 5 -2.026 -5.481 1.838 39 HB2 GLN 5 2HB GLN 5 -0.926 -5.158 3.998 40 HB3 GLN 5 1HB GLN 5 -2.672 -5.023 4.155 41 HG2 GLN 5 2HG GLN 5 -2.771 -7.302 5.028 42 HG3 GLN 5 1HG GLN 5 -1.020 -7.435 4.873 43 HE21 GLN 5 1HE2 GLN 5 0.305 -6.303 6.291 44 HE22 GLN 5 2HE2 GLN 5 -0.289 -5.629 7.766 45 H TRP 6 H TRP 6 0.410 -5.692 2.252 46 HA TRP 6 HA TRP 6 1.559 -8.267 2.532 47 HB2 TRP 6 2HB TRP 6 2.231 -8.728 0.267 48 HB3 TRP 6 1HB TRP 6 0.488 -8.495 0.276 49 HD1 TRP 6 HD TRP 6 0.319 -5.364 0.089 50 HE1 TRP 6 1HE TRP 6 1.038 -4.155 -2.067 51 HE3 TRP 6 3HE TRP 6 3.343 -8.976 -1.895 52 HZ2 TRP 6 2HZ TRP 6 2.670 -4.668 -4.312 53 HZ3 TRP 6 3HZ TRP 6 4.445 -8.538 -4.051 54 HH2 TRP 6 HH TRP 6 4.115 -6.429 -5.235 55 H SER 7 H SER 7 3.884 -7.949 1.042 56 HA SER 7 HA SER 7 5.134 -5.769 2.502 57 HB2 SER 7 2HB SER 7 6.346 -7.973 0.815 58 HB3 SER 7 1HB SER 7 7.258 -6.805 1.769 59 HG SER 7 HG SER 7 5.292 -8.487 2.911 60 H GLY 8 H GLY 8 3.495 -4.749 0.567 61 HA2 GLY 8 2HA GLY 8 5.370 -3.906 -1.554 62 HA3 GLY 8 1HA GLY 8 3.627 -3.989 -1.762 63 H TYR 9 H TYR 9 5.108 -2.731 1.142 64 HA TYR 9 HA TYR 9 3.902 -0.130 0.571 65 HB2 TYR 9 2HB TYR 9 3.365 -1.174 2.725 66 HB3 TYR 9 1HB TYR 9 5.076 -1.231 3.133 67 HD1 TYR 9 1HD TYR 9 2.197 1.015 2.597 68 HD2 TYR 9 2HD TYR 9 6.208 0.693 3.975 69 HE1 TYR 9 1HE TYR 9 2.024 3.252 3.601 70 HE2 TYR 9 2HE TYR 9 6.047 2.931 4.984 71 HH TYR 9 HH TYR 9 4.721 4.985 4.704 72 H ASP 10 H ASP 10 5.071 1.574 -0.016 73 HA ASP 10 HA ASP 10 7.997 1.386 0.204 74 HB2 ASP 10 2HB ASP 10 6.273 3.006 -1.676 75 HB3 ASP 10 1HB ASP 10 8.030 3.096 -1.611 76 HA PRO 11 HA PRO 11 7.280 4.550 3.384 77 HB2 PRO 11 2HB PRO 11 10.172 4.230 3.816 78 HB3 PRO 11 1HB PRO 11 8.835 3.975 4.949 79 HG2 PRO 11 2HG PRO 11 10.287 1.952 3.951 80 HG3 PRO 11 1HG PRO 11 8.572 1.791 4.376 81 HD2 PRO 11 2HD PRO 11 9.836 2.072 1.694 82 HD3 PRO 11 1HD PRO 11 8.421 1.117 2.185 83 H ARG 12 H ARG 12 10.009 4.390 1.143 84 HA ARG 12 HA ARG 12 10.929 6.992 1.293 85 HB2 ARG 12 2HB ARG 12 10.758 5.224 -1.153 86 HB3 ARG 12 1HB ARG 12 11.755 6.666 -1.015 87 HG2 ARG 12 2HG ARG 12 13.048 5.630 0.759 88 HG3 ARG 12 1HG ARG 12 12.022 4.197 0.689 89 HD2 ARG 12 2HD ARG 12 13.756 5.241 -1.548 90 HD3 ARG 12 1HD ARG 12 14.128 3.862 -0.514 91 HE ARG 12 HE ARG 12 11.612 3.544 -1.798 92 HH11 ARG 12 2HH1 ARG 12 15.052 3.338 -2.352 93 HH12 ARG 12 1HH1 ARG 12 14.904 2.176 -3.627 94 HH21 ARG 12 1HH2 ARG 12 11.415 2.017 -3.476 95 HH22 ARG 12 2HH2 ARG 12 12.839 1.427 -4.267 96 H THR 13 H THR 13 8.052 5.760 -0.256 97 HA THR 13 HA THR 13 7.433 8.494 -1.156 98 HB THR 13 HB THR 13 6.007 7.525 -2.913 99 HG1 THR 13 1HG THR 13 6.122 5.275 -3.289 100 HG21 THR 13 3HG2 THR 13 8.316 8.109 -3.455 101 HG22 THR 13 1HG2 THR 13 7.800 6.687 -4.364 102 HG23 THR 13 2HG2 THR 13 8.849 6.502 -2.957 103 H GLY 14 H GLY 14 6.802 6.658 1.298 104 HA2 GLY 14 2HA GLY 14 5.021 6.247 2.703 105 HA3 GLY 14 1HA GLY 14 4.564 7.878 2.244 106 H THR 15 H THR 15 4.642 5.252 -0.068 107 HA THR 15 HA THR 15 1.761 4.865 0.125 108 HB THR 15 HB THR 15 1.415 5.279 -2.287 109 HG1 THR 15 1HG THR 15 3.972 6.525 -2.262 110 HG21 THR 15 3HG2 THR 15 0.880 7.037 -0.676 111 HG22 THR 15 1HG2 THR 15 1.473 7.730 -2.186 112 HG23 THR 15 2HG2 THR 15 2.532 7.646 -0.778 113 H TRP 16 H TRP 16 0.993 3.037 -1.076 114 HA TRP 16 HA TRP 16 2.807 0.854 -1.055 115 HB2 TRP 16 2HB TRP 16 0.010 1.051 -2.193 116 HB3 TRP 16 1HB TRP 16 0.898 -0.449 -1.942 117 HD1 TRP 16 HD TRP 16 -1.000 2.265 -0.045 118 HE1 TRP 16 1HE TRP 16 -1.450 1.442 2.351 119 HE3 TRP 16 3HE TRP 16 1.820 -2.000 -0.106 120 HZ2 TRP 16 2HZ TRP 16 -0.710 -0.727 3.998 121 HZ3 TRP 16 3HZ TRP 16 1.896 -3.392 1.920 122 HH2 TRP 16 HH TRP 16 0.655 -2.768 3.930 123 H ARG 17 H ARG 17 2.486 -0.703 -3.157 124 HA ARG 17 HA ARG 17 3.959 0.661 -5.220 125 HB2 ARG 17 2HB ARG 17 3.088 -2.199 -4.860 126 HB3 ARG 17 1HB ARG 17 3.930 -1.642 -6.300 127 HG2 ARG 17 2HG ARG 17 5.002 -1.403 -3.498 128 HG3 ARG 17 1HG ARG 17 5.411 -2.698 -4.625 129 HD2 ARG 17 2HD ARG 17 6.277 -1.013 -6.201 130 HD3 ARG 17 1HD ARG 17 5.921 0.248 -5.024 131 HE ARG 17 HE ARG 17 7.516 -1.504 -3.674 132 HH11 ARG 17 2HH1 ARG 17 7.814 0.284 -6.657 133 HH12 ARG 17 1HH1 ARG 17 9.537 0.419 -6.551 134 HH21 ARG 17 2HH2 ARG 17 9.783 -1.330 -3.534 135 HH22 ARG 17 1HH2 ARG 17 10.656 -0.498 -4.778 136 H SER 18 H SER 18 1.302 -1.638 -5.682 137 HA SER 18 HA SER 18 -0.436 0.212 -6.943 138 HB2 SER 18 2HB SER 18 1.261 0.137 -8.715 139 HB3 SER 18 1HB SER 18 1.116 -1.620 -8.790 140 HG SER 18 HG SER 18 -0.947 -1.407 -9.573 141 H SER 19 H SER 19 0.601 -3.162 -6.718 142 HA SER 19 HA SER 19 -1.701 -4.467 -7.487 143 HB2 SER 19 2HB SER 19 -0.967 -6.321 -6.027 144 HB3 SER 19 1HB SER 19 0.374 -5.648 -6.950 145 HG SER 19 HG SER 19 0.752 -4.328 -4.989 146 H ILE 20 H ILE 20 -1.040 -2.773 -4.504 147 HA ILE 20 HA ILE 20 -3.758 -3.436 -3.569 148 HB ILE 20 HB ILE 20 -1.399 -2.631 -1.861 149 HG12 ILE 20 2HG1 ILE 20 -1.035 -4.856 -2.754 150 HG13 ILE 20 1HG1 ILE 20 -1.480 -4.982 -1.054 151 HG21 ILE 20 1HG2 ILE 20 -3.454 -1.929 -0.855 152 HG22 ILE 20 2HG2 ILE 20 -2.884 -3.360 0.003 153 HG23 ILE 20 3HG2 ILE 20 -4.199 -3.497 -1.164 154 HD11 ILE 20 3HD1 ILE 20 -3.790 -5.516 -1.746 155 HD12 ILE 20 1HD1 ILE 20 -2.599 -6.692 -2.303 156 HD13 ILE 20 2HD1 ILE 20 -3.255 -5.500 -3.426 157 H ALA 21 H ALA 21 -4.893 -1.742 -2.416 158 HA ALA 21 HA ALA 21 -4.982 0.682 -3.756 159 HB1 ALA 21 1HB ALA 21 -6.821 -0.188 -2.393 160 HB2 ALA 21 2HB ALA 21 -6.417 1.471 -1.954 161 HB3 ALA 21 3HB ALA 21 -5.890 0.135 -0.932 162 H TYR 22 H TYR 22 -3.438 2.163 -3.888 163 HA TYR 22 HA TYR 22 -1.323 2.436 -2.041 164 HB2 TYR 22 2HB TYR 22 -0.674 4.388 -3.335 165 HB3 TYR 22 1HB TYR 22 -1.168 3.093 -4.424 166 HD1 TYR 22 1HD TYR 22 -3.352 3.229 -5.591 167 HD2 TYR 22 2HD TYR 22 -1.865 6.453 -3.247 168 HE1 TYR 22 1HE TYR 22 -4.956 4.748 -6.671 169 HE2 TYR 22 2HE TYR 22 -3.465 7.980 -4.318 170 HH TYR 22 HH TYR 22 -4.760 8.126 -6.403 171 H GLY 23 H GLY 23 -0.829 4.169 -0.628 172 HA2 GLY 23 2HA GLY 23 -1.304 5.667 1.046 173 HA3 GLY 23 1HA GLY 23 -2.549 6.298 -0.022 174 H GLY 24 H GLY 24 -2.114 3.228 1.744 175 HA2 GLY 24 2HA GLY 24 -3.596 3.174 3.841 176 HA3 GLY 24 1HA GLY 24 -4.885 3.521 2.699 177 H GLY 25 H GLY 25 -3.264 1.107 4.320 178 HA2 GLY 25 2HA GLY 25 -4.636 -0.926 2.750 179 HA3 GLY 25 1HA GLY 25 -2.887 -1.063 2.821 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -13.448 -4.541 -1.225 2 H2 GLY 1 2HT GLY 1 -12.646 -3.420 -2.204 3 H3 GLY 1 3HT GLY 1 -14.245 -3.135 -1.728 4 HA2 GLY 1 1HA GLY 1 -12.737 -1.765 -0.443 5 HA3 GLY 1 2HA GLY 1 -13.571 -2.931 0.575 6 H VAL 2 H VAL 2 -12.423 -4.650 1.480 7 HA VAL 2 HA VAL 2 -9.595 -4.136 1.804 8 HB VAL 2 HB VAL 2 -11.263 -6.339 3.026 9 HG11 VAL 2 1HG1 VAL 2 -8.875 -6.791 3.089 10 HG12 VAL 2 2HG1 VAL 2 -9.478 -6.426 4.705 11 HG13 VAL 2 3HG1 VAL 2 -8.577 -5.207 3.803 12 HG21 VAL 2 3HG2 VAL 2 -11.392 -4.900 5.007 13 HG22 VAL 2 1HG2 VAL 2 -12.171 -4.157 3.610 14 HG23 VAL 2 2HG2 VAL 2 -10.574 -3.613 4.120 15 H VAL 3 H VAL 3 -7.923 -5.568 1.318 16 HA VAL 3 HA VAL 3 -8.536 -7.992 -0.171 17 HB VAL 3 HB VAL 3 -7.068 -7.395 -2.052 18 HG11 VAL 3 1HG1 VAL 3 -8.595 -5.836 -3.166 19 HG12 VAL 3 2HG1 VAL 3 -9.333 -5.453 -1.610 20 HG13 VAL 3 3HG1 VAL 3 -9.470 -7.081 -2.275 21 HG21 VAL 3 3HG2 VAL 3 -6.374 -5.074 -2.386 22 HG22 VAL 3 1HG2 VAL 3 -5.668 -5.750 -0.919 23 HG23 VAL 3 2HG2 VAL 3 -7.040 -4.646 -0.811 24 H ARG 4 H ARG 4 -6.200 -8.843 -1.010 25 HA ARG 4 HA ARG 4 -4.787 -9.450 1.383 26 HB2 ARG 4 2HB ARG 4 -3.501 -10.942 0.098 27 HB3 ARG 4 1HB ARG 4 -5.091 -10.961 -0.648 28 HG2 ARG 4 2HG ARG 4 -2.726 -9.388 -1.650 29 HG3 ARG 4 1HG ARG 4 -3.267 -10.941 -2.291 30 HD2 ARG 4 2HD ARG 4 -4.815 -8.353 -2.290 31 HD3 ARG 4 1HD ARG 4 -4.078 -9.136 -3.686 32 HE ARG 4 HE ARG 4 -5.867 -10.925 -2.469 33 HH11 ARG 4 1HH1 ARG 4 -5.882 -7.958 -4.305 34 HH12 ARG 4 2HH1 ARG 4 -7.440 -8.250 -5.000 35 HH21 ARG 4 1HH2 ARG 4 -7.917 -11.313 -3.384 36 HH22 ARG 4 2HH2 ARG 4 -8.596 -10.154 -4.478 37 H GLN 5 H GLN 5 -3.066 -8.517 2.265 38 HA GLN 5 HA GLN 5 -1.812 -6.292 0.825 39 HB2 GLN 5 2HB GLN 5 -1.012 -5.550 3.006 40 HB3 GLN 5 1HB GLN 5 -2.753 -5.793 3.037 41 HG2 GLN 5 2HG GLN 5 -2.436 -7.948 4.137 42 HG3 GLN 5 1HG GLN 5 -0.689 -7.709 4.101 43 HE21 GLN 5 1HE2 GLN 5 0.245 -6.183 5.463 44 HE22 GLN 5 2HE2 GLN 5 -0.594 -5.531 6.825 45 H TRP 6 H TRP 6 0.587 -5.975 1.619 46 HA TRP 6 HA TRP 6 2.145 -8.279 2.141 47 HB2 TRP 6 2HB TRP 6 3.172 -8.656 -0.003 48 HB3 TRP 6 1HB TRP 6 1.431 -8.737 -0.219 49 HD1 TRP 6 HD TRP 6 0.416 -6.083 -0.930 50 HE1 TRP 6 1HE TRP 6 1.286 -4.660 -2.890 51 HE3 TRP 6 3HE TRP 6 5.033 -8.202 -1.479 52 HZ2 TRP 6 2HZ TRP 6 3.623 -4.465 -4.460 53 HZ3 TRP 6 3HZ TRP 6 6.526 -7.334 -3.233 54 HH2 TRP 6 HH TRP 6 5.834 -5.505 -4.691 55 H SER 7 H SER 7 4.477 -7.331 0.610 56 HA SER 7 HA SER 7 5.164 -5.103 2.361 57 HB2 SER 7 2HB SER 7 6.689 -7.015 2.326 58 HB3 SER 7 1HB SER 7 6.903 -6.830 0.584 59 HG SER 7 HG SER 7 8.257 -5.251 0.923 60 H GLY 8 H GLY 8 3.492 -4.855 -0.142 61 HA2 GLY 8 2HA GLY 8 5.059 -3.518 -2.103 62 HA3 GLY 8 1HA GLY 8 3.308 -3.464 -1.966 63 H TYR 9 H TYR 9 3.318 -2.437 0.749 64 HA TYR 9 HA TYR 9 3.243 0.298 0.212 65 HB2 TYR 9 2HB TYR 9 1.990 -0.624 2.057 66 HB3 TYR 9 1HB TYR 9 3.468 -1.160 2.850 67 HD1 TYR 9 2HD TYR 9 2.191 2.059 1.423 68 HD2 TYR 9 1HD TYR 9 4.027 0.073 4.706 69 HE1 TYR 9 2HE TYR 9 2.304 4.192 2.640 70 HE2 TYR 9 1HE TYR 9 4.148 2.202 5.933 71 HH TYR 9 HH TYR 9 4.164 4.609 5.446 72 H ASP 10 H ASP 10 4.756 1.795 0.043 73 HA ASP 10 HA ASP 10 7.432 1.225 1.134 74 HB2 ASP 10 2HB ASP 10 7.311 1.339 -1.348 75 HB3 ASP 10 1HB ASP 10 6.724 2.994 -1.216 76 HA PRO 11 HA PRO 11 5.966 4.728 3.694 77 HB2 PRO 11 2HB PRO 11 7.886 4.343 5.625 78 HB3 PRO 11 1HB PRO 11 6.323 3.508 5.601 79 HG2 PRO 11 2HG PRO 11 8.991 2.536 4.723 80 HG3 PRO 11 1HG PRO 11 7.698 1.678 5.584 81 HD2 PRO 11 2HD PRO 11 8.129 1.339 2.947 82 HD3 PRO 11 1HD PRO 11 6.507 1.254 3.664 83 H ARG 12 H ARG 12 8.950 4.078 2.121 84 HA ARG 12 HA ARG 12 10.498 6.254 2.976 85 HB2 ARG 12 2HB ARG 12 10.555 5.165 0.167 86 HB3 ARG 12 1HB ARG 12 11.876 5.870 1.087 87 HG2 ARG 12 2HG ARG 12 11.802 3.927 2.610 88 HG3 ARG 12 1HG ARG 12 10.561 3.208 1.583 89 HD2 ARG 12 2HD ARG 12 12.208 3.448 -0.330 90 HD3 ARG 12 1HD ARG 12 13.424 3.807 0.895 91 HE ARG 12 HE ARG 12 11.953 1.364 1.330 92 HH11 ARG 12 2HH1 ARG 12 14.764 2.822 -0.140 93 HH12 ARG 12 1HH1 ARG 12 15.658 1.339 -0.193 94 HH21 ARG 12 1HH2 ARG 12 13.130 -0.583 1.267 95 HH22 ARG 12 2HH2 ARG 12 14.730 -0.592 0.605 96 H THR 13 H THR 13 7.941 5.991 0.600 97 HA THR 13 HA THR 13 7.908 8.911 0.381 98 HB THR 13 HB THR 13 9.050 8.224 -1.616 99 HG1 THR 13 1HG THR 13 7.453 8.935 -3.184 100 HG21 THR 13 3HG2 THR 13 6.731 6.345 -2.066 101 HG22 THR 13 1HG2 THR 13 8.390 5.887 -1.683 102 HG23 THR 13 2HG2 THR 13 8.023 6.662 -3.224 103 H GLY 14 H GLY 14 6.298 6.633 1.622 104 HA2 GLY 14 2HA GLY 14 4.093 6.084 1.977 105 HA3 GLY 14 1HA GLY 14 3.801 7.782 1.636 106 H THR 15 H THR 15 4.419 4.719 -0.083 107 HA THR 15 HA THR 15 2.100 5.186 -1.750 108 HB THR 15 HB THR 15 3.348 4.891 -3.875 109 HG1 THR 15 1HG THR 15 5.382 4.354 -3.727 110 HG21 THR 15 3HG2 THR 15 4.211 7.296 -2.266 111 HG22 THR 15 1HG2 THR 15 2.677 7.131 -3.119 112 HG23 THR 15 2HG2 THR 15 4.190 7.177 -4.024 113 H TRP 16 H TRP 16 1.824 3.341 -3.344 114 HA TRP 16 HA TRP 16 2.834 0.837 -2.165 115 HB2 TRP 16 2HB TRP 16 0.075 1.607 -3.049 116 HB3 TRP 16 1HB TRP 16 0.570 -0.083 -3.103 117 HD1 TRP 16 HD TRP 16 0.621 2.769 -0.453 118 HE1 TRP 16 1HE TRP 16 -0.025 1.741 1.815 119 HE3 TRP 16 3HE TRP 16 0.087 -2.108 -1.894 120 HZ2 TRP 16 2HZ TRP 16 -0.674 -0.801 2.858 121 HZ3 TRP 16 3HZ TRP 16 -0.548 -3.774 -0.199 122 HH2 TRP 16 HH TRP 16 -0.919 -3.132 2.128 123 H ARG 17 H ARG 17 3.080 -0.954 -3.617 124 HA ARG 17 HA ARG 17 3.835 -0.075 -6.296 125 HB2 ARG 17 2HB ARG 17 4.356 -2.739 -4.976 126 HB3 ARG 17 1HB ARG 17 5.105 -2.126 -6.444 127 HG2 ARG 17 2HG ARG 17 6.175 -0.347 -5.137 128 HG3 ARG 17 1HG ARG 17 5.446 -1.003 -3.670 129 HD2 ARG 17 2HD ARG 17 7.761 -1.739 -3.914 130 HD3 ARG 17 1HD ARG 17 6.645 -3.100 -3.999 131 HE ARG 17 HE ARG 17 7.183 -2.159 -6.598 132 HH11 ARG 17 2HH1 ARG 17 8.724 -3.870 -3.974 133 HH12 ARG 17 1HH1 ARG 17 9.797 -4.749 -5.011 134 HH21 ARG 17 2HH2 ARG 17 8.596 -3.313 -7.963 135 HH22 ARG 17 1HH2 ARG 17 9.725 -4.432 -7.275 136 H SER 18 H SER 18 2.366 -3.047 -4.995 137 HA SER 18 HA SER 18 1.234 -3.891 -7.403 138 HB2 SER 18 2HB SER 18 1.524 -5.375 -5.467 139 HB3 SER 18 1HB SER 18 0.290 -4.475 -4.586 140 HG SER 18 HG SER 18 -0.052 -6.006 -6.949 141 H SER 19 H SER 19 -1.357 -4.375 -7.239 142 HA SER 19 HA SER 19 -2.535 -1.775 -7.643 143 HB2 SER 19 2HB SER 19 -3.728 -4.544 -7.898 144 HB3 SER 19 1HB SER 19 -4.512 -3.048 -8.406 145 HG SER 19 HG SER 19 -3.305 -3.006 -10.133 146 H ILE 20 H ILE 20 -2.037 -3.535 -4.918 147 HA ILE 20 HA ILE 20 -4.523 -3.537 -3.614 148 HB ILE 20 HB ILE 20 -1.821 -3.184 -2.308 149 HG12 ILE 20 2HG1 ILE 20 -1.740 -5.114 -3.784 150 HG13 ILE 20 1HG1 ILE 20 -1.818 -5.659 -2.112 151 HG21 ILE 20 1HG2 ILE 20 -3.603 -2.787 -0.759 152 HG22 ILE 20 2HG2 ILE 20 -2.932 -4.384 -0.425 153 HG23 ILE 20 3HG2 ILE 20 -4.458 -4.234 -1.295 154 HD11 ILE 20 3HD1 ILE 20 -4.200 -6.113 -2.371 155 HD12 ILE 20 1HD1 ILE 20 -3.235 -7.004 -3.547 156 HD13 ILE 20 2HD1 ILE 20 -4.122 -5.565 -4.047 157 H ALA 21 H ALA 21 -5.191 -2.121 -1.817 158 HA ALA 21 HA ALA 21 -5.563 0.491 -2.508 159 HB1 ALA 21 1HB ALA 21 -6.131 0.941 -0.188 160 HB2 ALA 21 2HB ALA 21 -5.316 -0.540 0.315 161 HB3 ALA 21 3HB ALA 21 -6.763 -0.627 -0.688 162 H TYR 22 H TYR 22 -4.308 2.210 -2.721 163 HA TYR 22 HA TYR 22 -1.649 2.165 -1.482 164 HB2 TYR 22 2HB TYR 22 -0.986 3.784 -3.184 165 HB3 TYR 22 1HB TYR 22 -1.687 2.354 -3.933 166 HD1 TYR 22 1HD TYR 22 -4.135 2.483 -4.675 167 HD2 TYR 22 2HD TYR 22 -1.833 5.913 -3.657 168 HE1 TYR 22 1HE TYR 22 -5.718 3.904 -5.907 169 HE2 TYR 22 2HE TYR 22 -3.411 7.343 -4.886 170 HH TYR 22 HH TYR 22 -5.059 7.132 -6.703 171 H GLY 23 H GLY 23 -0.775 4.471 -1.074 172 HA2 GLY 23 2HA GLY 23 -0.892 6.427 0.127 173 HA3 GLY 23 1HA GLY 23 -2.573 6.541 -0.367 174 H GLY 24 H GLY 24 -0.823 4.178 1.645 175 HA2 GLY 24 2HA GLY 24 -1.037 4.321 4.090 176 HA3 GLY 24 1HA GLY 24 -2.695 4.841 3.835 177 H GLY 25 H GLY 25 -4.117 3.236 2.684 178 HA2 GLY 25 2HA GLY 25 -4.643 0.973 2.155 179 HA3 GLY 25 1HA GLY 25 -3.305 0.456 3.171 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -11.465 -3.105 -5.727 2 H2 GLY 1 2HT GLY 1 -11.599 -3.953 -7.185 3 H3 GLY 1 3HT GLY 1 -10.146 -3.984 -6.321 4 HA2 GLY 1 1HA GLY 1 -12.726 -5.142 -5.420 5 HA3 GLY 1 2HA GLY 1 -11.358 -6.056 -6.040 6 H VAL 2 H VAL 2 -12.451 -6.595 -3.558 7 HA VAL 2 HA VAL 2 -10.861 -5.291 -1.524 8 HB VAL 2 HB VAL 2 -12.650 -7.712 -1.254 9 HG11 VAL 2 1HG1 VAL 2 -11.065 -7.478 0.575 10 HG12 VAL 2 2HG1 VAL 2 -12.699 -7.108 1.123 11 HG13 VAL 2 3HG1 VAL 2 -11.557 -5.801 0.808 12 HG21 VAL 2 3HG2 VAL 2 -13.908 -5.812 -2.112 13 HG22 VAL 2 1HG2 VAL 2 -13.280 -4.794 -0.817 14 HG23 VAL 2 2HG2 VAL 2 -14.350 -6.144 -0.437 15 H VAL 3 H VAL 3 -8.932 -5.935 -0.822 16 HA VAL 3 HA VAL 3 -8.140 -8.731 -1.058 17 HB VAL 3 HB VAL 3 -5.970 -8.171 -2.073 18 HG11 VAL 3 1HG1 VAL 3 -8.346 -7.286 -3.709 19 HG12 VAL 3 2HG1 VAL 3 -7.785 -8.945 -3.497 20 HG13 VAL 3 3HG1 VAL 3 -6.779 -7.777 -4.352 21 HG21 VAL 3 3HG2 VAL 3 -7.152 -5.414 -2.414 22 HG22 VAL 3 1HG2 VAL 3 -5.634 -5.974 -3.115 23 HG23 VAL 3 2HG2 VAL 3 -5.804 -5.848 -1.364 24 H ARG 4 H ARG 4 -5.681 -8.808 -0.202 25 HA ARG 4 HA ARG 4 -5.784 -7.487 2.415 26 HB2 ARG 4 2HB ARG 4 -4.236 -9.904 1.471 27 HB3 ARG 4 1HB ARG 4 -4.108 -9.213 3.083 28 HG2 ARG 4 2HG ARG 4 -6.599 -10.375 1.855 29 HG3 ARG 4 1HG ARG 4 -5.574 -11.151 3.064 30 HD2 ARG 4 2HD ARG 4 -7.114 -8.581 3.420 31 HD3 ARG 4 1HD ARG 4 -7.550 -10.153 4.090 32 HE ARG 4 HE ARG 4 -4.998 -9.629 4.989 33 HH11 ARG 4 1HH1 ARG 4 -8.133 -8.118 5.253 34 HH12 ARG 4 2HH1 ARG 4 -7.806 -7.424 6.804 35 HH21 ARG 4 1HH2 ARG 4 -4.566 -8.713 7.029 36 HH22 ARG 4 2HH2 ARG 4 -5.782 -7.761 7.813 37 H GLN 5 H GLN 5 -3.310 -7.406 3.296 38 HA GLN 5 HA GLN 5 -1.993 -5.543 1.462 39 HB2 GLN 5 2HB GLN 5 -0.752 -4.779 3.438 40 HB3 GLN 5 1HB GLN 5 -2.490 -4.695 3.693 41 HG2 GLN 5 2HG GLN 5 -2.402 -6.776 4.972 42 HG3 GLN 5 1HG GLN 5 -0.659 -6.853 4.720 43 HE21 GLN 5 1HE2 GLN 5 0.679 -5.400 5.799 44 HE22 GLN 5 2HE2 GLN 5 0.137 -4.497 7.168 45 H TRP 6 H TRP 6 0.540 -5.514 2.016 46 HA TRP 6 HA TRP 6 1.785 -8.031 2.430 47 HB2 TRP 6 2HB TRP 6 2.539 -8.532 0.198 48 HB3 TRP 6 1HB TRP 6 0.792 -8.355 0.151 49 HD1 TRP 6 HD TRP 6 0.156 -5.526 -0.422 50 HE1 TRP 6 1HE TRP 6 1.021 -4.242 -2.478 51 HE3 TRP 6 3HE TRP 6 4.235 -8.403 -1.515 52 HZ2 TRP 6 2HZ TRP 6 3.153 -4.424 -4.317 53 HZ3 TRP 6 3HZ TRP 6 5.637 -7.777 -3.437 54 HH2 TRP 6 HH TRP 6 5.106 -5.829 -4.810 55 H SER 7 H SER 7 4.086 -7.442 0.709 56 HA SER 7 HA SER 7 5.250 -5.345 2.363 57 HB2 SER 7 2HB SER 7 7.412 -6.167 1.495 58 HB3 SER 7 1HB SER 7 6.460 -7.465 2.218 59 HG SER 7 HG SER 7 7.474 -7.877 0.091 60 H GLY 8 H GLY 8 3.418 -4.784 0.059 61 HA2 GLY 8 2HA GLY 8 5.064 -3.662 -2.013 62 HA3 GLY 8 1HA GLY 8 3.328 -3.462 -1.837 63 H TYR 9 H TYR 9 3.549 -2.463 0.910 64 HA TYR 9 HA TYR 9 3.484 0.240 0.486 65 HB2 TYR 9 2HB TYR 9 2.677 -0.762 2.547 66 HB3 TYR 9 1HB TYR 9 4.316 -1.210 3.005 67 HD1 TYR 9 2HD TYR 9 2.037 1.657 2.481 68 HD2 TYR 9 1HD TYR 9 5.749 0.336 4.088 69 HE1 TYR 9 2HE TYR 9 2.295 3.810 3.642 70 HE2 TYR 9 1HE TYR 9 6.019 2.486 5.251 71 HH TYR 9 HH TYR 9 3.487 4.727 5.581 72 H ASP 10 H ASP 10 4.951 1.594 -0.254 73 HA ASP 10 HA ASP 10 7.789 1.046 0.215 74 HB2 ASP 10 2HB ASP 10 8.078 2.875 -1.553 75 HB3 ASP 10 1HB ASP 10 7.398 1.339 -2.091 76 HA PRO 11 HA PRO 11 7.176 4.327 3.343 77 HB2 PRO 11 2HB PRO 11 9.591 3.811 4.573 78 HB3 PRO 11 1HB PRO 11 8.070 2.999 4.982 79 HG2 PRO 11 2HG PRO 11 10.322 2.045 3.300 80 HG3 PRO 11 1HG PRO 11 9.294 1.150 4.437 81 HD2 PRO 11 2HD PRO 11 8.954 1.005 1.765 82 HD3 PRO 11 1HD PRO 11 7.604 0.875 2.909 83 H ARG 12 H ARG 12 9.619 3.741 0.980 84 HA ARG 12 HA ARG 12 11.319 5.925 1.443 85 HB2 ARG 12 2HB ARG 12 11.917 5.686 -0.972 86 HB3 ARG 12 1HB ARG 12 12.006 4.184 -0.062 87 HG2 ARG 12 2HG ARG 12 9.862 3.485 -0.968 88 HG3 ARG 12 1HG ARG 12 9.730 5.005 -1.856 89 HD2 ARG 12 2HD ARG 12 10.506 3.214 -3.312 90 HD3 ARG 12 1HD ARG 12 11.751 4.447 -3.112 91 HE ARG 12 HE ARG 12 12.167 2.447 -1.200 92 HH11 ARG 12 2HH1 ARG 12 12.317 2.877 -4.659 93 HH12 ARG 12 1HH1 ARG 12 13.544 1.677 -4.881 94 HH21 ARG 12 1HH2 ARG 12 13.781 0.869 -1.490 95 HH22 ARG 12 2HH2 ARG 12 14.376 0.535 -3.082 96 H THR 13 H THR 13 8.269 5.647 -0.288 97 HA THR 13 HA THR 13 8.261 8.574 -0.584 98 HB THR 13 HB THR 13 6.872 8.339 -2.591 99 HG1 THR 13 1HG THR 13 6.307 6.371 -3.364 100 HG21 THR 13 3HG2 THR 13 9.277 8.509 -2.895 101 HG22 THR 13 1HG2 THR 13 8.594 7.419 -4.102 102 HG23 THR 13 2HG2 THR 13 9.447 6.764 -2.703 103 H GLY 14 H GLY 14 7.119 6.415 1.350 104 HA2 GLY 14 2HA GLY 14 5.241 6.154 2.646 105 HA3 GLY 14 1HA GLY 14 4.979 7.861 2.334 106 H THR 15 H THR 15 4.795 4.944 0.293 107 HA THR 15 HA THR 15 1.938 5.223 0.010 108 HB THR 15 HB THR 15 1.974 5.438 -2.451 109 HG1 THR 15 1HG THR 15 4.715 6.148 -2.178 110 HG21 THR 15 3HG2 THR 15 2.441 7.811 -2.552 111 HG22 THR 15 1HG2 THR 15 3.420 7.713 -1.088 112 HG23 THR 15 2HG2 THR 15 1.681 7.432 -1.008 113 H TRP 16 H TRP 16 1.297 3.642 -1.967 114 HA TRP 16 HA TRP 16 2.737 1.131 -1.426 115 HB2 TRP 16 2HB TRP 16 -0.149 1.611 -2.187 116 HB3 TRP 16 1HB TRP 16 0.589 0.017 -2.082 117 HD1 TRP 16 HD TRP 16 -0.380 2.995 0.162 118 HE1 TRP 16 1HE TRP 16 -0.660 2.134 2.569 119 HE3 TRP 16 3HE TRP 16 1.195 -1.823 -0.509 120 HZ2 TRP 16 2HZ TRP 16 -0.269 -0.269 3.997 121 HZ3 TRP 16 3HZ TRP 16 1.211 -3.339 1.429 122 HH2 TRP 16 HH TRP 16 0.495 -2.576 3.635 123 H ARG 17 H ARG 17 2.924 -0.403 -3.190 124 HA ARG 17 HA ARG 17 3.915 0.771 -5.529 125 HB2 ARG 17 2HB ARG 17 3.145 -2.086 -4.938 126 HB3 ARG 17 1HB ARG 17 3.950 -1.584 -6.420 127 HG2 ARG 17 2HG ARG 17 5.789 -0.657 -5.002 128 HG3 ARG 17 1HG ARG 17 5.004 -1.406 -3.612 129 HD2 ARG 17 2HD ARG 17 6.779 -2.828 -4.459 130 HD3 ARG 17 1HD ARG 17 5.208 -3.598 -4.680 131 HE ARG 17 HE ARG 17 5.858 -2.186 -7.013 132 HH11 ARG 17 2HH1 ARG 17 6.899 -4.995 -5.223 133 HH12 ARG 17 1HH1 ARG 17 7.485 -5.825 -6.624 134 HH21 ARG 17 2HH2 ARG 17 6.627 -3.278 -8.858 135 HH22 ARG 17 1HH2 ARG 17 7.331 -4.851 -8.687 136 H SER 18 H SER 18 1.393 -1.699 -5.823 137 HA SER 18 HA SER 18 -0.554 0.017 -6.949 138 HB2 SER 18 2HB SER 18 1.034 0.160 -8.801 139 HB3 SER 18 1HB SER 18 1.087 -1.598 -8.913 140 HG SER 18 HG SER 18 -0.515 -1.358 -10.243 141 H SER 19 H SER 19 0.785 -3.251 -6.850 142 HA SER 19 HA SER 19 -1.327 -4.797 -7.611 143 HB2 SER 19 2HB SER 19 0.833 -5.732 -6.942 144 HB3 SER 19 1HB SER 19 0.511 -5.309 -5.261 145 HG SER 19 HG SER 19 -1.074 -7.071 -6.823 146 H ILE 20 H ILE 20 -0.984 -3.028 -4.607 147 HA ILE 20 HA ILE 20 -3.734 -3.816 -3.901 148 HB ILE 20 HB ILE 20 -1.527 -3.216 -1.927 149 HG12 ILE 20 2HG1 ILE 20 -1.138 -5.349 -3.093 150 HG13 ILE 20 1HG1 ILE 20 -1.567 -5.610 -1.405 151 HG21 ILE 20 1HG2 ILE 20 -3.148 -4.095 -0.276 152 HG22 ILE 20 2HG2 ILE 20 -4.358 -4.182 -1.556 153 HG23 ILE 20 3HG2 ILE 20 -3.699 -2.620 -1.071 154 HD11 ILE 20 3HD1 ILE 20 -3.438 -5.879 -3.745 155 HD12 ILE 20 1HD1 ILE 20 -3.831 -6.188 -2.054 156 HD13 ILE 20 2HD1 ILE 20 -2.658 -7.208 -2.886 157 H ALA 21 H ALA 21 -4.958 -2.213 -2.730 158 HA ALA 21 HA ALA 21 -4.908 0.322 -3.823 159 HB1 ALA 21 1HB ALA 21 -6.459 0.977 -2.067 160 HB2 ALA 21 2HB ALA 21 -6.024 -0.453 -1.130 161 HB3 ALA 21 3HB ALA 21 -6.851 -0.631 -2.678 162 H TYR 22 H TYR 22 -3.868 2.185 -3.420 163 HA TYR 22 HA TYR 22 -1.823 2.159 -1.329 164 HB2 TYR 22 2HB TYR 22 -0.830 4.051 -2.531 165 HB3 TYR 22 1HB TYR 22 -1.081 2.681 -3.608 166 HD1 TYR 22 1HD TYR 22 -2.920 2.741 -5.273 167 HD2 TYR 22 2HD TYR 22 -1.953 6.126 -2.886 168 HE1 TYR 22 1HE TYR 22 -4.176 4.183 -6.819 169 HE2 TYR 22 2HE TYR 22 -3.206 7.577 -4.423 170 HH TYR 22 HH TYR 22 -5.308 6.364 -6.794 171 H GLY 23 H GLY 23 -1.355 4.574 -0.570 172 HA2 GLY 23 2HA GLY 23 -2.184 6.554 0.376 173 HA3 GLY 23 1HA GLY 23 -3.815 6.036 -0.024 174 H GLY 24 H GLY 24 -4.228 3.742 1.201 175 HA2 GLY 24 2HA GLY 24 -3.564 4.267 4.034 176 HA3 GLY 24 1HA GLY 24 -5.158 3.742 3.516 177 H GLY 25 H GLY 25 -5.468 1.587 2.845 178 HA2 GLY 25 2HA GLY 25 -4.606 -0.612 2.368 179 HA3 GLY 25 1HA GLY 25 -3.208 -0.231 3.361 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -10.815 -1.600 1.613 2 H2 GLY 1 2HT GLY 1 -11.224 -0.191 0.769 3 H3 GLY 1 3HT GLY 1 -9.733 -0.941 0.491 4 HA2 GLY 1 1HA GLY 1 -12.396 -2.085 -0.149 5 HA3 GLY 1 2HA GLY 1 -11.276 -1.396 -1.314 6 H VAL 2 H VAL 2 -8.875 -2.422 -0.540 7 HA VAL 2 HA VAL 2 -8.999 -5.055 -1.581 8 HB VAL 2 HB VAL 2 -7.055 -3.520 -1.856 9 HG11 VAL 2 1HG1 VAL 2 -6.480 -4.240 1.015 10 HG12 VAL 2 2HG1 VAL 2 -6.947 -2.649 0.417 11 HG13 VAL 2 3HG1 VAL 2 -5.404 -3.351 -0.062 12 HG21 VAL 2 3HG2 VAL 2 -5.347 -5.252 -1.676 13 HG22 VAL 2 1HG2 VAL 2 -6.854 -5.911 -2.311 14 HG23 VAL 2 2HG2 VAL 2 -6.406 -6.197 -0.630 15 H VAL 3 H VAL 3 -8.211 -7.013 -0.525 16 HA VAL 3 HA VAL 3 -8.592 -7.023 2.393 17 HB VAL 3 HB VAL 3 -9.803 -9.179 2.202 18 HG11 VAL 3 1HG1 VAL 3 -11.941 -8.220 1.481 19 HG12 VAL 3 2HG1 VAL 3 -11.083 -6.859 0.758 20 HG13 VAL 3 3HG1 VAL 3 -11.039 -7.104 2.505 21 HG21 VAL 3 3HG2 VAL 3 -8.988 -9.875 0.018 22 HG22 VAL 3 1HG2 VAL 3 -9.840 -8.533 -0.745 23 HG23 VAL 3 2HG2 VAL 3 -10.751 -9.827 0.034 24 H ARG 4 H ARG 4 -6.118 -7.011 1.059 25 HA ARG 4 HA ARG 4 -4.878 -9.262 2.241 26 HB2 ARG 4 2HB ARG 4 -3.905 -10.112 0.010 27 HB3 ARG 4 1HB ARG 4 -5.532 -10.605 0.455 28 HG2 ARG 4 2HG ARG 4 -6.472 -8.925 -1.022 29 HG3 ARG 4 1HG ARG 4 -4.851 -8.363 -1.436 30 HD2 ARG 4 2HD ARG 4 -5.779 -9.841 -3.162 31 HD3 ARG 4 1HD ARG 4 -4.329 -10.518 -2.423 32 HE ARG 4 HE ARG 4 -6.402 -11.578 -0.990 33 HH11 ARG 4 1HH1 ARG 4 -5.500 -11.526 -4.360 34 HH12 ARG 4 2HH1 ARG 4 -6.232 -13.056 -4.709 35 HH21 ARG 4 1HH2 ARG 4 -7.366 -13.591 -1.447 36 HH22 ARG 4 2HH2 ARG 4 -7.291 -14.228 -3.057 37 H GLN 5 H GLN 5 -2.996 -8.530 2.916 38 HA GLN 5 HA GLN 5 -1.756 -6.280 1.505 39 HB2 GLN 5 2HB GLN 5 -0.547 -5.815 3.539 40 HB3 GLN 5 1HB GLN 5 -2.252 -6.002 3.921 41 HG2 GLN 5 2HG GLN 5 -0.337 -8.287 4.204 42 HG3 GLN 5 1HG GLN 5 -0.524 -7.078 5.472 43 HE21 GLN 5 1HE2 GLN 5 -2.461 -6.956 6.606 44 HE22 GLN 5 2HE2 GLN 5 -3.619 -8.238 6.586 45 H TRP 6 H TRP 6 0.767 -6.297 1.856 46 HA TRP 6 HA TRP 6 2.097 -8.799 1.838 47 HB2 TRP 6 2HB TRP 6 2.717 -8.967 -0.492 48 HB3 TRP 6 1HB TRP 6 0.963 -8.916 -0.380 49 HD1 TRP 6 HD TRP 6 0.667 -5.721 -0.141 50 HE1 TRP 6 1HE TRP 6 1.075 -4.284 -2.238 51 HE3 TRP 6 3HE TRP 6 3.465 -9.026 -2.860 52 HZ2 TRP 6 2HZ TRP 6 2.405 -4.520 -4.717 53 HZ3 TRP 6 3HZ TRP 6 4.267 -8.342 -5.084 54 HH2 TRP 6 HH TRP 6 3.746 -6.136 -5.992 55 H SER 7 H SER 7 4.352 -8.255 0.400 56 HA SER 7 HA SER 7 5.486 -6.060 1.939 57 HB2 SER 7 2HB SER 7 6.667 -8.204 1.957 58 HB3 SER 7 1HB SER 7 6.816 -8.151 0.200 59 HG SER 7 HG SER 7 8.645 -7.369 1.618 60 H GLY 8 H GLY 8 3.795 -5.095 0.007 61 HA2 GLY 8 2HA GLY 8 5.655 -4.047 -2.037 62 HA3 GLY 8 1HA GLY 8 3.939 -4.293 -2.321 63 H TYR 9 H TYR 9 5.261 -2.950 0.635 64 HA TYR 9 HA TYR 9 3.801 -0.473 0.094 65 HB2 TYR 9 2HB TYR 9 3.291 -1.607 2.201 66 HB3 TYR 9 1HB TYR 9 4.987 -1.538 2.666 67 HD1 TYR 9 2HD TYR 9 2.071 0.626 1.845 68 HD2 TYR 9 1HD TYR 9 5.807 0.298 3.857 69 HE1 TYR 9 2HE TYR 9 1.681 2.807 2.911 70 HE2 TYR 9 1HE TYR 9 5.426 2.479 4.927 71 HH TYR 9 HH TYR 9 4.126 4.507 4.567 72 H ASP 10 H ASP 10 4.757 1.507 0.022 73 HA ASP 10 HA ASP 10 7.697 1.529 -0.006 74 HB2 ASP 10 2HB ASP 10 6.679 2.103 -2.150 75 HB3 ASP 10 1HB ASP 10 5.734 3.373 -1.381 76 HA PRO 11 HA PRO 11 6.910 4.038 3.707 77 HB2 PRO 11 2HB PRO 11 9.684 3.498 4.389 78 HB3 PRO 11 1HB PRO 11 8.214 2.943 5.207 79 HG2 PRO 11 2HG PRO 11 9.902 1.297 3.863 80 HG3 PRO 11 1HG PRO 11 8.174 0.973 4.097 81 HD2 PRO 11 2HD PRO 11 9.589 2.014 1.687 82 HD3 PRO 11 1HD PRO 11 8.222 0.885 1.798 83 H ARG 12 H ARG 12 9.672 4.164 1.518 84 HA ARG 12 HA ARG 12 10.835 6.547 2.323 85 HB2 ARG 12 2HB ARG 12 11.633 6.737 -0.041 86 HB3 ARG 12 1HB ARG 12 11.944 5.180 0.709 87 HG2 ARG 12 2HG ARG 12 9.970 4.262 -0.450 88 HG3 ARG 12 1HG ARG 12 9.756 5.818 -1.254 89 HD2 ARG 12 2HD ARG 12 10.924 4.244 -2.700 90 HD3 ARG 12 1HD ARG 12 11.962 5.602 -2.274 91 HE ARG 12 HE ARG 12 12.425 3.556 -0.435 92 HH11 ARG 12 2HH1 ARG 12 12.866 4.176 -3.841 93 HH12 ARG 12 1HH1 ARG 12 14.245 3.136 -3.978 94 HH21 ARG 12 1HH2 ARG 12 14.237 2.188 -0.614 95 HH22 ARG 12 2HH2 ARG 12 15.023 2.008 -2.147 96 H THR 13 H THR 13 7.921 6.022 0.449 97 HA THR 13 HA THR 13 7.498 8.932 0.464 98 HB THR 13 HB THR 13 6.331 8.811 -1.673 99 HG1 THR 13 1HG THR 13 6.335 6.852 -2.844 100 HG21 THR 13 3HG2 THR 13 8.704 9.296 -1.755 101 HG22 THR 13 1HG2 THR 13 8.261 8.291 -3.134 102 HG23 THR 13 2HG2 THR 13 9.085 7.574 -1.749 103 H GLY 14 H GLY 14 6.564 6.414 2.029 104 HA2 GLY 14 2HA GLY 14 4.636 5.665 3.035 105 HA3 GLY 14 1HA GLY 14 4.192 7.362 3.014 106 H THR 15 H THR 15 4.416 4.735 0.606 107 HA THR 15 HA THR 15 1.587 4.914 0.066 108 HB THR 15 HB THR 15 1.897 5.334 -2.374 109 HG1 THR 15 1HG THR 15 3.905 6.275 -3.007 110 HG21 THR 15 3HG2 THR 15 2.135 7.747 -2.188 111 HG22 THR 15 1HG2 THR 15 2.875 7.572 -0.598 112 HG23 THR 15 2HG2 THR 15 1.186 7.127 -0.837 113 H TRP 16 H TRP 16 0.998 3.374 -1.773 114 HA TRP 16 HA TRP 16 2.575 0.936 -1.411 115 HB2 TRP 16 2HB TRP 16 -0.244 1.411 -2.376 116 HB3 TRP 16 1HB TRP 16 0.535 -0.168 -2.430 117 HD1 TRP 16 HD TRP 16 -0.756 2.438 0.089 118 HE1 TRP 16 1HE TRP 16 -1.159 1.259 2.342 119 HE3 TRP 16 3HE TRP 16 1.175 -2.158 -1.044 120 HZ2 TRP 16 2HZ TRP 16 -0.715 -1.283 3.487 121 HZ3 TRP 16 3HZ TRP 16 1.148 -3.908 0.685 122 HH2 TRP 16 HH TRP 16 0.223 -3.477 2.904 123 H ARG 17 H ARG 17 2.185 -0.577 -3.511 124 HA ARG 17 HA ARG 17 3.591 0.836 -5.621 125 HB2 ARG 17 2HB ARG 17 3.004 -2.088 -5.168 126 HB3 ARG 17 1HB ARG 17 3.819 -1.480 -6.604 127 HG2 ARG 17 2HG ARG 17 4.792 -1.124 -3.777 128 HG3 ARG 17 1HG ARG 17 5.378 -2.340 -4.915 129 HD2 ARG 17 2HD ARG 17 6.096 -0.550 -6.435 130 HD3 ARG 17 1HD ARG 17 5.538 0.651 -5.272 131 HE ARG 17 HE ARG 17 7.332 -1.030 -3.960 132 HH11 ARG 17 2HH1 ARG 17 7.350 1.303 -6.557 133 HH12 ARG 17 1HH1 ARG 17 8.998 1.768 -6.295 134 HH21 ARG 17 2HH2 ARG 17 9.497 -0.419 -3.614 135 HH22 ARG 17 1HH2 ARG 17 10.217 0.791 -4.624 136 H SER 18 H SER 18 1.199 -1.756 -6.002 137 HA SER 18 HA SER 18 -0.725 -0.104 -7.298 138 HB2 SER 18 2HB SER 18 0.985 -1.884 -9.053 139 HB3 SER 18 1HB SER 18 -0.498 -1.082 -9.570 140 HG SER 18 HG SER 18 0.503 0.812 -9.574 141 H SER 19 H SER 19 0.587 -3.383 -6.998 142 HA SER 19 HA SER 19 -1.648 -4.875 -7.621 143 HB2 SER 19 2HB SER 19 0.414 -5.449 -5.479 144 HB3 SER 19 1HB SER 19 -0.699 -6.634 -6.163 145 HG SER 19 HG SER 19 1.245 -5.163 -7.621 146 H ILE 20 H ILE 20 -0.973 -3.039 -4.734 147 HA ILE 20 HA ILE 20 -3.601 -3.839 -3.664 148 HB ILE 20 HB ILE 20 -1.177 -3.034 -2.049 149 HG12 ILE 20 2HG1 ILE 20 -0.877 -5.250 -3.024 150 HG13 ILE 20 1HG1 ILE 20 -1.171 -5.388 -1.293 151 HG21 ILE 20 1HG2 ILE 20 -2.551 -3.772 -0.123 152 HG22 ILE 20 2HG2 ILE 20 -3.922 -3.955 -1.216 153 HG23 ILE 20 3HG2 ILE 20 -3.211 -2.364 -0.953 154 HD11 ILE 20 3HD1 ILE 20 -2.372 -7.093 -2.528 155 HD12 ILE 20 1HD1 ILE 20 -3.196 -5.850 -3.469 156 HD13 ILE 20 2HD1 ILE 20 -3.492 -5.985 -1.736 157 H ALA 21 H ALA 21 -4.750 -2.197 -2.472 158 HA ALA 21 HA ALA 21 -4.935 0.251 -3.736 159 HB1 ALA 21 1HB ALA 21 -6.691 -0.687 -2.308 160 HB2 ALA 21 2HB ALA 21 -6.306 0.976 -1.864 161 HB3 ALA 21 3HB ALA 21 -5.701 -0.361 -0.884 162 H TYR 22 H TYR 22 -3.822 2.096 -3.671 163 HA TYR 22 HA TYR 22 -1.713 2.353 -1.643 164 HB2 TYR 22 2HB TYR 22 -0.589 3.858 -3.198 165 HB3 TYR 22 1HB TYR 22 -0.958 2.330 -3.991 166 HD1 TYR 22 2HD TYR 22 -2.968 2.227 -5.533 167 HD2 TYR 22 1HD TYR 22 -1.381 5.894 -4.071 168 HE1 TYR 22 2HE TYR 22 -4.122 3.439 -7.336 169 HE2 TYR 22 1HE TYR 22 -2.531 7.116 -5.868 170 HH TYR 22 HH TYR 22 -3.439 6.668 -8.111 171 H GLY 23 H GLY 23 -1.175 4.586 -0.968 172 HA2 GLY 23 2HA GLY 23 -1.768 6.771 -0.371 173 HA3 GLY 23 1HA GLY 23 -3.348 6.517 -1.094 174 H GLY 24 H GLY 24 -1.391 5.307 1.633 175 HA2 GLY 24 2HA GLY 24 -2.026 5.458 3.903 176 HA3 GLY 24 1HA GLY 24 -3.677 5.777 3.396 177 H GLY 25 H GLY 25 -4.048 3.616 1.646 178 HA2 GLY 25 2HA GLY 25 -3.928 1.203 1.657 179 HA3 GLY 25 1HA GLY 25 -3.661 1.273 3.393 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 -9.890 -5.789 -7.287 2 H2 GLY 1 2HT GLY 1 -11.444 -6.284 -7.735 3 H3 GLY 1 3HT GLY 1 -10.317 -7.423 -7.192 4 HA2 GLY 1 1HA GLY 1 -11.498 -5.235 -5.569 5 HA3 GLY 1 2HA GLY 1 -11.940 -6.932 -5.469 6 H VAL 2 H VAL 2 -9.969 -4.518 -4.228 7 HA VAL 2 HA VAL 2 -7.773 -6.163 -3.387 8 HB VAL 2 HB VAL 2 -7.025 -4.261 -2.103 9 HG11 VAL 2 1HG1 VAL 2 -8.162 -3.397 -4.759 10 HG12 VAL 2 2HG1 VAL 2 -6.612 -4.197 -4.497 11 HG13 VAL 2 3HG1 VAL 2 -6.881 -2.570 -3.872 12 HG21 VAL 2 3HG2 VAL 2 -9.695 -3.006 -2.735 13 HG22 VAL 2 1HG2 VAL 2 -8.352 -2.212 -1.914 14 HG23 VAL 2 2HG2 VAL 2 -9.166 -3.581 -1.154 15 H VAL 3 H VAL 3 -7.462 -7.187 -1.473 16 HA VAL 3 HA VAL 3 -8.985 -6.692 0.863 17 HB VAL 3 HB VAL 3 -10.687 -7.853 -0.537 18 HG11 VAL 3 1HG1 VAL 3 -8.824 -10.203 -0.270 19 HG12 VAL 3 2HG1 VAL 3 -9.255 -9.366 -1.762 20 HG13 VAL 3 3HG1 VAL 3 -10.478 -10.277 -0.878 21 HG21 VAL 3 3HG2 VAL 3 -10.657 -7.885 1.971 22 HG22 VAL 3 1HG2 VAL 3 -9.913 -9.480 1.873 23 HG23 VAL 3 2HG2 VAL 3 -11.529 -9.219 1.218 24 H ARG 4 H ARG 4 -6.269 -7.024 0.055 25 HA ARG 4 HA ARG 4 -5.347 -8.656 2.168 26 HB2 ARG 4 2HB ARG 4 -3.991 -10.185 0.548 27 HB3 ARG 4 1HB ARG 4 -5.658 -10.589 0.935 28 HG2 ARG 4 2HG ARG 4 -6.393 -9.560 -1.161 29 HG3 ARG 4 1HG ARG 4 -4.714 -9.172 -1.551 30 HD2 ARG 4 2HD ARG 4 -5.452 -11.201 -2.701 31 HD3 ARG 4 1HD ARG 4 -4.154 -11.544 -1.559 32 HE ARG 4 HE ARG 4 -6.570 -11.954 -0.237 33 HH11 ARG 4 1HH1 ARG 4 -4.786 -13.326 -2.904 34 HH12 ARG 4 2HH1 ARG 4 -5.442 -14.914 -2.690 35 HH21 ARG 4 1HH2 ARG 4 -7.437 -14.040 0.044 36 HH22 ARG 4 2HH2 ARG 4 -6.948 -15.320 -1.016 37 H GLN 5 H GLN 5 -3.474 -7.831 2.842 38 HA GLN 5 HA GLN 5 -2.028 -6.039 1.032 39 HB2 GLN 5 2HB GLN 5 -1.021 -5.095 3.045 40 HB3 GLN 5 1HB GLN 5 -2.775 -5.087 3.164 41 HG2 GLN 5 2HG GLN 5 -2.688 -7.079 4.575 42 HG3 GLN 5 1HG GLN 5 -0.928 -7.083 4.455 43 HE21 GLN 5 1HE2 GLN 5 -0.667 -6.863 6.670 44 HE22 GLN 5 2HE2 GLN 5 -0.994 -5.381 7.497 45 H TRP 6 H TRP 6 0.378 -5.966 1.317 46 HA TRP 6 HA TRP 6 1.603 -8.482 2.108 47 HB2 TRP 6 2HB TRP 6 2.641 -8.912 -0.018 48 HB3 TRP 6 1HB TRP 6 0.916 -8.725 -0.297 49 HD1 TRP 6 HD TRP 6 0.522 -5.726 -0.663 50 HE1 TRP 6 1HE TRP 6 1.607 -4.431 -2.603 51 HE3 TRP 6 3HE TRP 6 4.342 -8.943 -1.740 52 HZ2 TRP 6 2HZ TRP 6 3.803 -4.732 -4.354 53 HZ3 TRP 6 3HZ TRP 6 5.893 -8.364 -3.562 54 HH2 TRP 6 HH TRP 6 5.624 -6.303 -4.841 55 H SER 7 H SER 7 4.119 -7.972 0.891 56 HA SER 7 HA SER 7 5.009 -5.774 2.594 57 HB2 SER 7 2HB SER 7 6.590 -7.932 1.177 58 HB3 SER 7 1HB SER 7 7.269 -6.723 2.268 59 HG SER 7 HG SER 7 6.906 -8.508 3.497 60 H GLY 8 H GLY 8 3.703 -4.827 0.394 61 HA2 GLY 8 2HA GLY 8 5.886 -3.932 -1.383 62 HA3 GLY 8 1HA GLY 8 4.206 -4.057 -1.876 63 H TYR 9 H TYR 9 5.128 -2.758 1.227 64 HA TYR 9 HA TYR 9 3.943 -0.207 0.467 65 HB2 TYR 9 2HB TYR 9 3.175 -1.175 2.554 66 HB3 TYR 9 1HB TYR 9 4.828 -1.287 3.151 67 HD1 TYR 9 2HD TYR 9 2.256 1.179 2.060 68 HD2 TYR 9 1HD TYR 9 5.752 0.467 4.380 69 HE1 TYR 9 2HE TYR 9 2.047 3.418 3.055 70 HE2 TYR 9 1HE TYR 9 5.554 2.705 5.378 71 HH TYR 9 HH TYR 9 4.532 4.878 4.841 72 H ASP 10 H ASP 10 5.140 1.439 -0.172 73 HA ASP 10 HA ASP 10 8.011 1.414 0.412 74 HB2 ASP 10 2HB ASP 10 6.406 2.906 -1.668 75 HB3 ASP 10 1HB ASP 10 8.137 3.120 -1.420 76 HA PRO 11 HA PRO 11 6.571 4.553 3.456 77 HB2 PRO 11 2HB PRO 11 8.953 4.412 4.868 78 HB3 PRO 11 1HB PRO 11 7.520 3.422 5.200 79 HG2 PRO 11 2HG PRO 11 9.988 2.723 3.709 80 HG3 PRO 11 1HG PRO 11 9.001 1.732 4.802 81 HD2 PRO 11 2HD PRO 11 8.871 1.457 2.132 82 HD3 PRO 11 1HD PRO 11 7.451 1.232 3.173 83 H ARG 12 H ARG 12 9.316 4.319 1.359 84 HA ARG 12 HA ARG 12 10.626 6.724 1.883 85 HB2 ARG 12 2HB ARG 12 10.250 5.502 -0.854 86 HB3 ARG 12 1HB ARG 12 11.557 6.553 -0.331 87 HG2 ARG 12 2HG ARG 12 12.315 4.801 1.222 88 HG3 ARG 12 1HG ARG 12 11.037 3.745 0.617 89 HD2 ARG 12 2HD ARG 12 12.030 4.100 -1.688 90 HD3 ARG 12 1HD ARG 12 13.412 4.832 -0.875 91 HE ARG 12 HE ARG 12 12.728 2.222 0.112 92 HH11 ARG 12 2HH1 ARG 12 14.533 3.988 -2.295 93 HH12 ARG 12 1HH1 ARG 12 15.669 2.709 -2.563 94 HH21 ARG 12 1HH2 ARG 12 14.224 0.537 -0.235 95 HH22 ARG 12 2HH2 ARG 12 15.495 0.751 -1.394 96 H THR 13 H THR 13 7.848 6.021 -0.180 97 HA THR 13 HA THR 13 7.407 8.917 -0.456 98 HB THR 13 HB THR 13 6.412 8.585 -2.596 99 HG1 THR 13 1HG THR 13 6.604 5.804 -1.999 100 HG21 THR 13 3HG2 THR 13 8.854 8.591 -2.626 101 HG22 THR 13 1HG2 THR 13 8.225 7.525 -3.881 102 HG23 THR 13 2HG2 THR 13 8.875 6.842 -2.390 103 H GLY 14 H GLY 14 6.438 6.659 1.444 104 HA2 GLY 14 2HA GLY 14 4.492 6.048 2.515 105 HA3 GLY 14 1HA GLY 14 4.068 7.735 2.274 106 H THR 15 H THR 15 4.405 5.047 -0.039 107 HA THR 15 HA THR 15 1.551 4.963 -0.477 108 HB THR 15 HB THR 15 1.727 5.424 -2.916 109 HG1 THR 15 1HG THR 15 4.367 6.149 -2.156 110 HG21 THR 15 3HG2 THR 15 2.599 7.726 -1.165 111 HG22 THR 15 1HG2 THR 15 0.943 7.146 -1.333 112 HG23 THR 15 2HG2 THR 15 1.776 7.847 -2.721 113 H TRP 16 H TRP 16 0.891 3.225 -1.847 114 HA TRP 16 HA TRP 16 2.746 0.997 -1.757 115 HB2 TRP 16 2HB TRP 16 -0.177 1.171 -2.509 116 HB3 TRP 16 1HB TRP 16 0.746 -0.330 -2.473 117 HD1 TRP 16 HD TRP 16 -0.425 2.462 -0.065 118 HE1 TRP 16 1HE TRP 16 -0.659 1.445 2.286 119 HE3 TRP 16 3HE TRP 16 1.357 -2.231 -1.031 120 HZ2 TRP 16 2HZ TRP 16 -0.156 -1.019 3.564 121 HZ3 TRP 16 3HZ TRP 16 1.447 -3.859 0.814 122 HH2 TRP 16 HH TRP 16 0.707 -3.263 3.062 123 H ARG 17 H ARG 17 3.135 -0.385 -3.594 124 HA ARG 17 HA ARG 17 3.208 1.140 -6.102 125 HB2 ARG 17 2HB ARG 17 4.987 -0.534 -6.750 126 HB3 ARG 17 1HB ARG 17 5.407 0.559 -5.438 127 HG2 ARG 17 2HG ARG 17 4.925 -1.194 -3.812 128 HG3 ARG 17 1HG ARG 17 4.485 -2.292 -5.122 129 HD2 ARG 17 2HD ARG 17 6.746 -2.155 -6.014 130 HD3 ARG 17 1HD ARG 17 7.191 -1.012 -4.747 131 HE ARG 17 HE ARG 17 6.221 -3.324 -3.522 132 HH11 ARG 17 2HH1 ARG 17 8.929 -2.332 -5.486 133 HH12 ARG 17 1HH1 ARG 17 10.004 -3.516 -4.824 134 HH21 ARG 17 2HH2 ARG 17 7.633 -4.882 -2.649 135 HH22 ARG 17 1HH2 ARG 17 9.269 -4.965 -3.214 136 H SER 18 H SER 18 2.441 -2.035 -4.769 137 HA SER 18 HA SER 18 1.680 -3.247 -7.200 138 HB2 SER 18 2HB SER 18 0.455 -4.867 -5.713 139 HB3 SER 18 1HB SER 18 2.153 -4.641 -5.303 140 HG SER 18 HG SER 18 0.000 -4.232 -3.776 141 H SER 19 H SER 19 -0.716 -4.199 -7.249 142 HA SER 19 HA SER 19 -2.385 -1.987 -7.879 143 HB2 SER 19 2HB SER 19 -2.515 -4.089 -9.130 144 HB3 SER 19 1HB SER 19 -3.056 -4.932 -7.679 145 HG SER 19 HG SER 19 -4.493 -3.493 -9.448 146 H ILE 20 H ILE 20 -1.747 -3.565 -4.957 147 HA ILE 20 HA ILE 20 -4.246 -3.546 -3.695 148 HB ILE 20 HB ILE 20 -1.523 -3.126 -2.452 149 HG12 ILE 20 2HG1 ILE 20 -1.691 -5.218 -3.729 150 HG13 ILE 20 1HG1 ILE 20 -1.598 -5.538 -2.000 151 HG21 ILE 20 1HG2 ILE 20 -3.221 -2.431 -0.908 152 HG22 ILE 20 2HG2 ILE 20 -2.619 -4.008 -0.398 153 HG23 ILE 20 3HG2 ILE 20 -4.171 -3.883 -1.225 154 HD11 ILE 20 3HD1 ILE 20 -4.080 -5.600 -3.700 155 HD12 ILE 20 1HD1 ILE 20 -4.033 -5.859 -1.955 156 HD13 ILE 20 2HD1 ILE 20 -3.217 -6.989 -3.038 157 H ALA 21 H ALA 21 -5.040 -2.060 -2.052 158 HA ALA 21 HA ALA 21 -5.388 0.523 -2.903 159 HB1 ALA 21 1HB ALA 21 -5.414 -0.385 -0.028 160 HB2 ALA 21 2HB ALA 21 -6.748 -0.567 -1.167 161 HB3 ALA 21 3HB ALA 21 -6.212 1.043 -0.686 162 H TYR 22 H TYR 22 -4.132 2.251 -3.044 163 HA TYR 22 HA TYR 22 -1.549 2.235 -1.685 164 HB2 TYR 22 2HB TYR 22 -0.915 4.008 -3.226 165 HB3 TYR 22 1HB TYR 22 -1.598 2.652 -4.118 166 HD1 TYR 22 1HD TYR 22 -3.991 2.824 -4.929 167 HD2 TYR 22 2HD TYR 22 -1.844 6.163 -3.397 168 HE1 TYR 22 1HE TYR 22 -5.592 4.344 -6.013 169 HE2 TYR 22 2HE TYR 22 -3.441 7.691 -4.474 170 HH TYR 22 HH TYR 22 -6.404 6.649 -5.760 171 H GLY 23 H GLY 23 -0.726 4.291 -0.798 172 HA2 GLY 23 2HA GLY 23 -0.881 6.062 0.658 173 HA3 GLY 23 1HA GLY 23 -2.441 6.414 -0.073 174 H GLY 24 H GLY 24 -0.871 4.259 2.278 175 HA2 GLY 24 2HA GLY 24 -1.681 4.136 4.537 176 HA3 GLY 24 1HA GLY 24 -3.293 4.492 3.936 177 H GLY 25 H GLY 25 -3.489 2.673 1.852 178 HA2 GLY 25 2HA GLY 25 -3.356 0.325 1.406 179 HA3 GLY 25 1HA GLY 25 -3.033 0.055 3.111 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -14.001 -8.984 0.199 2 H2 GLY 1 2HT GLY 1 -12.467 -9.204 0.877 3 H3 GLY 1 3HT GLY 1 -12.671 -9.297 -0.800 4 HA2 GLY 1 1HA GLY 1 -13.282 -6.960 -0.888 5 HA3 GLY 1 2HA GLY 1 -13.067 -6.862 0.853 6 H VAL 2 H VAL 2 -11.642 -5.073 -0.280 7 HA VAL 2 HA VAL 2 -9.090 -5.992 -1.236 8 HB VAL 2 HB VAL 2 -10.039 -3.877 -2.043 9 HG11 VAL 2 1HG1 VAL 2 -11.162 -3.166 0.003 10 HG12 VAL 2 2HG1 VAL 2 -10.094 -1.902 -0.604 11 HG13 VAL 2 3HG1 VAL 2 -9.601 -2.888 0.773 12 HG21 VAL 2 3HG2 VAL 2 -7.468 -3.534 -0.502 13 HG22 VAL 2 1HG2 VAL 2 -8.022 -2.498 -1.818 14 HG23 VAL 2 2HG2 VAL 2 -7.630 -4.190 -2.132 15 H VAL 3 H VAL 3 -7.304 -6.392 -0.092 16 HA VAL 3 HA VAL 3 -6.907 -5.213 2.528 17 HB VAL 3 HB VAL 3 -6.506 -7.371 3.644 18 HG11 VAL 3 1HG1 VAL 3 -9.278 -7.113 2.480 19 HG12 VAL 3 2HG1 VAL 3 -8.665 -6.252 3.892 20 HG13 VAL 3 3HG1 VAL 3 -8.845 -8.006 3.939 21 HG21 VAL 3 3HG2 VAL 3 -6.004 -8.728 1.686 22 HG22 VAL 3 1HG2 VAL 3 -7.669 -8.570 1.129 23 HG23 VAL 3 2HG2 VAL 3 -7.317 -9.448 2.617 24 H ARG 4 H ARG 4 -4.749 -5.735 3.416 25 HA ARG 4 HA ARG 4 -2.727 -5.345 1.536 26 HB2 ARG 4 2HB ARG 4 -2.495 -6.438 4.346 27 HB3 ARG 4 1HB ARG 4 -1.162 -5.811 3.387 28 HG2 ARG 4 2HG ARG 4 -2.221 -3.609 3.352 29 HG3 ARG 4 1HG ARG 4 -3.557 -4.240 4.317 30 HD2 ARG 4 2HD ARG 4 -1.951 -3.045 5.711 31 HD3 ARG 4 1HD ARG 4 -2.013 -4.756 6.133 32 HE ARG 4 HE ARG 4 0.036 -4.360 4.259 33 HH11 ARG 4 1HH1 ARG 4 -0.727 -3.603 7.579 34 HH12 ARG 4 2HH1 ARG 4 0.931 -3.558 8.080 35 HH21 ARG 4 1HH2 ARG 4 2.215 -4.301 4.916 36 HH22 ARG 4 2HH2 ARG 4 2.601 -3.955 6.569 37 H GLN 5 H GLN 5 -2.007 -6.705 0.051 38 HA GLN 5 HA GLN 5 -2.254 -9.578 0.457 39 HB2 GLN 5 2HB GLN 5 -3.027 -8.742 -1.669 40 HB3 GLN 5 1HB GLN 5 -1.493 -7.935 -1.958 41 HG2 GLN 5 2HG GLN 5 -0.369 -10.089 -2.100 42 HG3 GLN 5 1HG GLN 5 -1.897 -10.912 -1.783 43 HE21 GLN 5 1HE2 GLN 5 -0.111 -11.087 -4.087 44 HE22 GLN 5 2HE2 GLN 5 -1.066 -10.670 -5.464 45 H TRP 6 H TRP 6 0.150 -7.100 0.457 46 HA TRP 6 HA TRP 6 2.143 -8.927 1.401 47 HB2 TRP 6 2HB TRP 6 3.752 -8.645 -0.395 48 HB3 TRP 6 1HB TRP 6 2.252 -9.265 -1.069 49 HD1 TRP 6 HD TRP 6 0.610 -6.656 -1.465 50 HE1 TRP 6 1HE TRP 6 1.328 -4.902 -3.208 51 HE3 TRP 6 3HE TRP 6 5.543 -7.919 -1.896 52 HZ2 TRP 6 2HZ TRP 6 3.680 -4.153 -4.582 53 HZ3 TRP 6 3HZ TRP 6 6.960 -6.633 -3.444 54 HH2 TRP 6 HH TRP 6 6.046 -4.790 -4.759 55 H SER 7 H SER 7 4.407 -7.322 0.884 56 HA SER 7 HA SER 7 3.807 -5.060 2.630 57 HB2 SER 7 2HB SER 7 5.611 -6.557 3.334 58 HB3 SER 7 1HB SER 7 6.461 -6.269 1.816 59 HG SER 7 HG SER 7 5.772 -4.173 3.587 60 H GLY 8 H GLY 8 3.156 -5.049 -0.250 61 HA2 GLY 8 2HA GLY 8 4.933 -3.619 -1.822 62 HA3 GLY 8 1HA GLY 8 3.186 -3.521 -1.961 63 H TYR 9 H TYR 9 2.983 -2.502 0.830 64 HA TYR 9 HA TYR 9 2.844 0.218 0.305 65 HB2 TYR 9 2HB TYR 9 1.654 -0.814 2.167 66 HB3 TYR 9 1HB TYR 9 3.178 -1.176 2.970 67 HD1 TYR 9 1HD TYR 9 1.261 1.738 1.629 68 HD2 TYR 9 2HD TYR 9 3.945 0.285 4.592 69 HE1 TYR 9 1HE TYR 9 1.161 3.910 2.777 70 HE2 TYR 9 2HE TYR 9 3.852 2.453 5.748 71 HH TYR 9 HH TYR 9 1.533 4.820 5.035 72 H ASP 10 H ASP 10 4.351 1.701 0.003 73 HA ASP 10 HA ASP 10 7.063 1.195 1.002 74 HB2 ASP 10 2HB ASP 10 6.829 1.552 -1.426 75 HB3 ASP 10 1HB ASP 10 6.125 3.136 -1.120 76 HA PRO 11 HA PRO 11 5.914 4.383 4.015 77 HB2 PRO 11 2HB PRO 11 8.500 3.729 5.229 78 HB3 PRO 11 1HB PRO 11 6.872 3.553 5.905 79 HG2 PRO 11 2HG PRO 11 8.402 1.450 5.217 80 HG3 PRO 11 1HG PRO 11 6.630 1.427 5.147 81 HD2 PRO 11 2HD PRO 11 8.602 1.725 2.933 82 HD3 PRO 11 1HD PRO 11 7.052 0.859 2.961 83 H ARG 12 H ARG 12 9.092 3.936 2.531 84 HA ARG 12 HA ARG 12 10.245 6.387 3.100 85 HB2 ARG 12 2HB ARG 12 10.533 4.505 0.780 86 HB3 ARG 12 1HB ARG 12 11.411 6.027 0.809 87 HG2 ARG 12 2HG ARG 12 12.847 4.315 1.636 88 HG3 ARG 12 1HG ARG 12 12.395 5.354 2.987 89 HD2 ARG 12 2HD ARG 12 12.307 3.032 3.659 90 HD3 ARG 12 1HD ARG 12 10.684 3.717 3.649 91 HE ARG 12 HE ARG 12 10.867 2.599 1.205 92 HH11 ARG 12 2HH1 ARG 12 11.526 1.374 4.406 93 HH12 ARG 12 1HH1 ARG 12 11.122 -0.260 3.999 94 HH21 ARG 12 1HH2 ARG 12 10.334 0.451 0.670 95 HH22 ARG 12 2HH2 ARG 12 10.445 -0.784 1.879 96 H THR 13 H THR 13 7.694 5.632 0.864 97 HA THR 13 HA THR 13 7.552 8.476 0.164 98 HB THR 13 HB THR 13 6.908 7.937 -2.139 99 HG1 THR 13 1HG THR 13 6.590 5.922 -2.757 100 HG21 THR 13 3HG2 THR 13 9.537 6.696 -1.319 101 HG22 THR 13 1HG2 THR 13 9.259 8.401 -1.676 102 HG23 THR 13 2HG2 THR 13 9.105 7.197 -2.955 103 H GLY 14 H GLY 14 6.093 6.411 1.921 104 HA2 GLY 14 2HA GLY 14 3.926 5.819 2.467 105 HA3 GLY 14 1HA GLY 14 3.645 7.522 2.149 106 H THR 15 H THR 15 4.278 4.702 0.046 107 HA THR 15 HA THR 15 1.621 4.894 -1.083 108 HB THR 15 HB THR 15 2.487 5.088 -3.430 109 HG1 THR 15 1HG THR 15 4.580 5.820 -3.730 110 HG21 THR 15 3HG2 THR 15 2.757 7.526 -3.362 111 HG22 THR 15 1HG2 THR 15 2.995 7.448 -1.617 112 HG23 THR 15 2HG2 THR 15 1.442 6.993 -2.316 113 H TRP 16 H TRP 16 1.064 3.116 -2.421 114 HA TRP 16 HA TRP 16 2.598 0.726 -1.802 115 HB2 TRP 16 2HB TRP 16 -0.136 1.224 -2.954 116 HB3 TRP 16 1HB TRP 16 0.593 -0.378 -2.999 117 HD1 TRP 16 HD TRP 16 -0.426 2.294 -0.384 118 HE1 TRP 16 1HE TRP 16 -1.059 1.073 1.790 119 HE3 TRP 16 3HE TRP 16 0.728 -2.488 -1.773 120 HZ2 TRP 16 2HZ TRP 16 -1.069 -1.570 2.785 121 HZ3 TRP 16 3HZ TRP 16 0.378 -4.304 -0.151 122 HH2 TRP 16 HH TRP 16 -0.502 -3.852 2.082 123 H ARG 17 H ARG 17 2.353 -0.981 -3.758 124 HA ARG 17 HA ARG 17 3.443 0.342 -6.155 125 HB2 ARG 17 2HB ARG 17 4.318 -2.312 -5.001 126 HB3 ARG 17 1HB ARG 17 4.965 -1.547 -6.448 127 HG2 ARG 17 2HG ARG 17 5.802 0.308 -5.087 128 HG3 ARG 17 1HG ARG 17 5.166 -0.476 -3.640 129 HD2 ARG 17 2HD ARG 17 6.621 -2.402 -4.048 130 HD3 ARG 17 1HD ARG 17 7.257 -1.614 -5.491 131 HE ARG 17 HE ARG 17 7.627 0.119 -3.339 132 HH11 ARG 17 2HH1 ARG 17 8.760 -3.000 -4.420 133 HH12 ARG 17 1HH1 ARG 17 10.296 -2.853 -3.633 134 HH21 ARG 17 2HH2 ARG 17 9.645 0.312 -2.303 135 HH22 ARG 17 1HH2 ARG 17 10.799 -0.973 -2.432 136 H SER 18 H SER 18 2.286 -2.866 -5.129 137 HA SER 18 HA SER 18 1.405 -3.693 -7.648 138 HB2 SER 18 2HB SER 18 0.411 -4.543 -4.919 139 HB3 SER 18 1HB SER 18 0.111 -5.409 -6.424 140 HG SER 18 HG SER 18 2.394 -5.654 -6.619 141 H SER 19 H SER 19 -1.149 -4.500 -7.579 142 HA SER 19 HA SER 19 -2.585 -2.123 -8.178 143 HB2 SER 19 2HB SER 19 -4.474 -3.643 -8.646 144 HB3 SER 19 1HB SER 19 -2.985 -4.195 -9.411 145 HG SER 19 HG SER 19 -2.746 -5.704 -7.744 146 H ILE 20 H ILE 20 -1.994 -3.643 -5.237 147 HA ILE 20 HA ILE 20 -4.454 -3.412 -3.915 148 HB ILE 20 HB ILE 20 -1.622 -3.319 -2.882 149 HG12 ILE 20 2HG1 ILE 20 -2.236 -5.542 -1.964 150 HG13 ILE 20 1HG1 ILE 20 -3.818 -5.395 -2.717 151 HG21 ILE 20 1HG2 ILE 20 -2.921 -2.015 -1.327 152 HG22 ILE 20 2HG2 ILE 20 -2.574 -3.588 -0.610 153 HG23 ILE 20 3HG2 ILE 20 -4.173 -3.257 -1.275 154 HD11 ILE 20 3HD1 ILE 20 -2.852 -5.467 -4.900 155 HD12 ILE 20 1HD1 ILE 20 -2.220 -6.818 -3.960 156 HD13 ILE 20 2HD1 ILE 20 -1.222 -5.389 -4.233 157 H ALA 21 H ALA 21 -5.142 -1.803 -2.361 158 HA ALA 21 HA ALA 21 -5.324 0.755 -3.313 159 HB1 ALA 21 1HB ALA 21 -6.735 -0.147 -1.526 160 HB2 ALA 21 2HB ALA 21 -6.064 1.427 -1.100 161 HB3 ALA 21 3HB ALA 21 -5.377 -0.042 -0.406 162 H TYR 22 H TYR 22 -4.045 2.483 -3.424 163 HA TYR 22 HA TYR 22 -1.435 2.351 -2.099 164 HB2 TYR 22 2HB TYR 22 -0.686 3.986 -3.740 165 HB3 TYR 22 1HB TYR 22 -1.439 2.617 -4.553 166 HD1 TYR 22 1HD TYR 22 -3.784 2.867 -5.433 167 HD2 TYR 22 2HD TYR 22 -1.519 6.177 -4.016 168 HE1 TYR 22 1HE TYR 22 -5.295 4.402 -6.621 169 HE2 TYR 22 2HE TYR 22 -3.024 7.722 -5.196 170 HH TYR 22 HH TYR 22 -6.006 6.748 -6.498 171 H GLY 23 H GLY 23 -0.513 4.357 -1.255 172 HA2 GLY 23 2HA GLY 23 -0.653 6.449 -0.220 173 HA3 GLY 23 1HA GLY 23 -2.378 6.475 -0.557 174 H GLY 24 H GLY 24 -3.427 4.373 0.646 175 HA2 GLY 24 2HA GLY 24 -2.399 4.321 3.400 176 HA3 GLY 24 1HA GLY 24 -4.062 4.817 3.120 177 H GLY 25 H GLY 25 -1.897 2.182 3.448 178 HA2 GLY 25 2HA GLY 25 -4.173 0.341 3.337 179 HA3 GLY 25 1HA GLY 25 -2.785 -0.013 2.320 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -14.757 -2.482 0.164 2 H2 GLY 1 2HT GLY 1 -15.310 -3.827 1.028 3 H3 GLY 1 3HT GLY 1 -16.153 -3.296 -0.339 4 HA2 GLY 1 1HA GLY 1 -14.871 -5.264 -0.865 5 HA3 GLY 1 2HA GLY 1 -14.298 -3.867 -1.763 6 H VAL 2 H VAL 2 -13.313 -6.484 -0.056 7 HA VAL 2 HA VAL 2 -10.885 -5.189 0.970 8 HB VAL 2 HB VAL 2 -10.474 -7.283 2.193 9 HG11 VAL 2 1HG1 VAL 2 -11.720 -5.506 3.285 10 HG12 VAL 2 2HG1 VAL 2 -12.320 -7.082 3.799 11 HG13 VAL 2 3HG1 VAL 2 -13.230 -6.133 2.623 12 HG21 VAL 2 3HG2 VAL 2 -13.126 -8.160 1.049 13 HG22 VAL 2 1HG2 VAL 2 -12.197 -9.022 2.275 14 HG23 VAL 2 2HG2 VAL 2 -11.547 -8.835 0.646 15 H VAL 3 H VAL 3 -8.846 -6.476 0.722 16 HA VAL 3 HA VAL 3 -8.724 -8.184 -1.627 17 HB VAL 3 HB VAL 3 -7.018 -6.876 -2.760 18 HG11 VAL 3 1HG1 VAL 3 -8.394 -5.001 -3.520 19 HG12 VAL 3 2HG1 VAL 3 -9.464 -5.226 -2.137 20 HG13 VAL 3 3HG1 VAL 3 -9.342 -6.480 -3.371 21 HG21 VAL 3 3HG2 VAL 3 -6.466 -4.597 -2.033 22 HG22 VAL 3 1HG2 VAL 3 -6.001 -5.800 -0.830 23 HG23 VAL 3 2HG2 VAL 3 -7.452 -4.825 -0.588 24 H ARG 4 H ARG 4 -6.131 -8.502 -2.035 25 HA ARG 4 HA ARG 4 -5.213 -9.670 0.458 26 HB2 ARG 4 2HB ARG 4 -3.500 -10.748 -0.924 27 HB3 ARG 4 1HB ARG 4 -5.109 -11.006 -1.585 28 HG2 ARG 4 2HG ARG 4 -4.718 -9.252 -3.235 29 HG3 ARG 4 1HG ARG 4 -3.104 -8.987 -2.571 30 HD2 ARG 4 2HD ARG 4 -4.109 -11.549 -3.805 31 HD3 ARG 4 1HD ARG 4 -3.034 -10.385 -4.578 32 HE ARG 4 HE ARG 4 -1.893 -11.191 -2.147 33 HH11 ARG 4 1HH1 ARG 4 -2.635 -12.485 -5.302 34 HH12 ARG 4 2HH1 ARG 4 -1.341 -13.634 -5.274 35 HH21 ARG 4 1HH2 ARG 4 -0.190 -12.701 -2.106 36 HH22 ARG 4 2HH2 ARG 4 0.048 -13.758 -3.459 37 H GLN 5 H GLN 5 -3.723 -8.804 1.747 38 HA GLN 5 HA GLN 5 -2.300 -6.419 0.811 39 HB2 GLN 5 2HB GLN 5 -1.926 -5.896 3.152 40 HB3 GLN 5 1HB GLN 5 -3.633 -6.204 2.877 41 HG2 GLN 5 2HG GLN 5 -1.884 -8.428 3.807 42 HG3 GLN 5 1HG GLN 5 -2.410 -7.200 4.955 43 HE21 GLN 5 1HE2 GLN 5 -3.637 -8.675 6.116 44 HE22 GLN 5 2HE2 GLN 5 -5.132 -9.305 5.520 45 H TRP 6 H TRP 6 -0.053 -6.126 1.690 46 HA TRP 6 HA TRP 6 1.496 -8.375 2.444 47 HB2 TRP 6 2HB TRP 6 2.736 -8.788 0.423 48 HB3 TRP 6 1HB TRP 6 1.024 -8.935 0.047 49 HD1 TRP 6 HD TRP 6 0.258 -5.949 -0.481 50 HE1 TRP 6 1HE TRP 6 1.187 -4.710 -2.537 51 HE3 TRP 6 3HE TRP 6 4.355 -8.863 -1.399 52 HZ2 TRP 6 2HZ TRP 6 3.372 -4.938 -4.314 53 HZ3 TRP 6 3HZ TRP 6 5.814 -8.285 -3.295 54 HH2 TRP 6 HH TRP 6 5.331 -6.363 -4.722 55 H SER 7 H SER 7 3.983 -7.625 1.427 56 HA SER 7 HA SER 7 4.413 -5.157 2.911 57 HB2 SER 7 2HB SER 7 6.807 -5.757 2.768 58 HB3 SER 7 1HB SER 7 5.842 -7.073 3.437 59 HG SER 7 HG SER 7 7.071 -8.044 1.932 60 H GLY 8 H GLY 8 3.103 -4.713 0.504 61 HA2 GLY 8 2HA GLY 8 5.161 -3.775 -1.361 62 HA3 GLY 8 1HA GLY 8 3.440 -3.896 -1.699 63 H TYR 9 H TYR 9 4.673 -2.436 1.225 64 HA TYR 9 HA TYR 9 3.551 0.125 0.347 65 HB2 TYR 9 2HB TYR 9 2.652 -0.726 2.437 66 HB3 TYR 9 1HB TYR 9 4.273 -0.886 3.105 67 HD1 TYR 9 1HD TYR 9 2.020 1.715 1.646 68 HD2 TYR 9 2HD TYR 9 5.072 0.805 4.467 69 HE1 TYR 9 1HE TYR 9 1.866 4.001 2.542 70 HE2 TYR 9 2HE TYR 9 4.927 3.087 5.370 71 HH TYR 9 HH TYR 9 2.381 5.202 4.622 72 H ASP 10 H ASP 10 4.756 1.921 0.105 73 HA ASP 10 HA ASP 10 7.632 1.706 0.707 74 HB2 ASP 10 2HB ASP 10 7.156 1.772 -1.709 75 HB3 ASP 10 1HB ASP 10 6.296 3.295 -1.495 76 HA PRO 11 HA PRO 11 6.180 5.068 3.461 77 HB2 PRO 11 2HB PRO 11 8.320 4.859 5.159 78 HB3 PRO 11 1HB PRO 11 6.862 3.858 5.296 79 HG2 PRO 11 2HG PRO 11 9.501 3.185 4.101 80 HG3 PRO 11 1HG PRO 11 8.424 2.193 5.105 81 HD2 PRO 11 2HD PRO 11 8.567 1.906 2.424 82 HD3 PRO 11 1HD PRO 11 7.070 1.626 3.337 83 H ARG 12 H ARG 12 9.164 4.545 1.754 84 HA ARG 12 HA ARG 12 10.488 6.944 2.326 85 HB2 ARG 12 2HB ARG 12 10.554 5.294 -0.207 86 HB3 ARG 12 1HB ARG 12 11.711 6.551 0.214 87 HG2 ARG 12 2HG ARG 12 12.384 5.257 2.183 88 HG3 ARG 12 1HG ARG 12 11.245 3.989 1.728 89 HD2 ARG 12 2HD ARG 12 13.595 4.935 0.089 90 HD3 ARG 12 1HD ARG 12 13.523 3.441 1.025 91 HE ARG 12 HE ARG 12 11.372 3.470 -0.766 92 HH11 ARG 12 2HH1 ARG 12 14.857 3.265 -0.812 93 HH12 ARG 12 1HH1 ARG 12 14.909 2.344 -2.277 94 HH21 ARG 12 1HH2 ARG 12 11.440 2.258 -2.695 95 HH22 ARG 12 2HH2 ARG 12 12.968 1.772 -3.346 96 H THR 13 H THR 13 7.866 6.212 0.133 97 HA THR 13 HA THR 13 7.670 9.074 -0.482 98 HB THR 13 HB THR 13 7.020 8.597 -2.791 99 HG1 THR 13 1HG THR 13 7.456 6.367 -3.524 100 HG21 THR 13 3HG2 THR 13 9.384 9.034 -2.320 101 HG22 THR 13 1HG2 THR 13 9.203 7.897 -3.656 102 HG23 THR 13 2HG2 THR 13 9.653 7.311 -2.054 103 H GLY 14 H GLY 14 6.270 7.009 1.282 104 HA2 GLY 14 2HA GLY 14 4.127 6.428 1.898 105 HA3 GLY 14 1HA GLY 14 3.769 8.081 1.429 106 H THR 15 H THR 15 4.422 4.985 -0.236 107 HA THR 15 HA THR 15 1.835 5.119 -1.533 108 HB THR 15 HB THR 15 2.832 4.863 -3.822 109 HG1 THR 15 1HG THR 15 4.970 5.346 -4.119 110 HG21 THR 15 3HG2 THR 15 1.851 6.981 -3.113 111 HG22 THR 15 1HG2 THR 15 3.255 7.262 -4.142 112 HG23 THR 15 2HG2 THR 15 3.387 7.465 -2.396 113 H TRP 16 H TRP 16 1.365 3.185 -2.810 114 HA TRP 16 HA TRP 16 2.777 0.853 -1.724 115 HB2 TRP 16 2HB TRP 16 -0.032 1.330 -2.647 116 HB3 TRP 16 1HB TRP 16 0.622 -0.305 -2.691 117 HD1 TRP 16 HD TRP 16 -0.017 2.535 -0.138 118 HE1 TRP 16 1HE TRP 16 -0.419 1.459 2.165 119 HE3 TRP 16 3HE TRP 16 0.881 -2.348 -1.355 120 HZ2 TRP 16 2HZ TRP 16 -0.362 -1.118 3.314 121 HZ3 TRP 16 3HZ TRP 16 0.686 -4.057 0.404 122 HH2 TRP 16 HH TRP 16 0.077 -3.453 2.690 123 H ARG 17 H ARG 17 3.112 -1.002 -3.119 124 HA ARG 17 HA ARG 17 3.996 -0.169 -5.759 125 HB2 ARG 17 2HB ARG 17 4.399 -2.695 -4.163 126 HB3 ARG 17 1HB ARG 17 4.967 -2.508 -5.816 127 HG2 ARG 17 2HG ARG 17 5.783 -0.778 -3.491 128 HG3 ARG 17 1HG ARG 17 6.732 -2.100 -4.171 129 HD2 ARG 17 2HD ARG 17 6.764 -0.927 -6.336 130 HD3 ARG 17 1HD ARG 17 5.883 0.411 -5.605 131 HE ARG 17 HE ARG 17 8.676 -0.302 -5.158 132 HH11 ARG 17 2HH1 ARG 17 5.972 1.760 -4.345 133 HH12 ARG 17 1HH1 ARG 17 6.964 2.970 -3.604 134 HH21 ARG 17 2HH2 ARG 17 9.971 1.292 -4.188 135 HH22 ARG 17 1HH2 ARG 17 9.231 2.704 -3.514 136 H SER 18 H SER 18 2.490 -3.196 -4.689 137 HA SER 18 HA SER 18 1.413 -3.931 -7.124 138 HB2 SER 18 2HB SER 18 1.536 -5.458 -5.215 139 HB3 SER 18 1HB SER 18 0.312 -4.516 -4.364 140 HG SER 18 HG SER 18 -0.041 -5.912 -6.811 141 H SER 19 H SER 19 -1.162 -4.306 -7.222 142 HA SER 19 HA SER 19 -2.233 -1.690 -7.675 143 HB2 SER 19 2HB SER 19 -4.228 -2.900 -8.495 144 HB3 SER 19 1HB SER 19 -2.740 -3.514 -9.216 145 HG SER 19 HG SER 19 -3.228 -5.382 -8.420 146 H ILE 20 H ILE 20 -2.022 -3.524 -4.911 147 HA ILE 20 HA ILE 20 -4.535 -3.331 -3.723 148 HB ILE 20 HB ILE 20 -1.870 -3.100 -2.316 149 HG12 ILE 20 2HG1 ILE 20 -1.883 -5.082 -3.717 150 HG13 ILE 20 1HG1 ILE 20 -2.067 -5.562 -2.032 151 HG21 ILE 20 1HG2 ILE 20 -3.130 -4.154 -0.433 152 HG22 ILE 20 2HG2 ILE 20 -4.612 -3.894 -1.355 153 HG23 ILE 20 3HG2 ILE 20 -3.643 -2.515 -0.831 154 HD11 ILE 20 3HD1 ILE 20 -4.470 -5.831 -2.378 155 HD12 ILE 20 1HD1 ILE 20 -3.530 -6.849 -3.470 156 HD13 ILE 20 2HD1 ILE 20 -4.274 -5.365 -4.067 157 H ALA 21 H ALA 21 -5.233 -1.860 -1.993 158 HA ALA 21 HA ALA 21 -5.465 0.751 -2.737 159 HB1 ALA 21 1HB ALA 21 -6.143 1.258 -0.463 160 HB2 ALA 21 2HB ALA 21 -5.403 -0.236 0.112 161 HB3 ALA 21 3HB ALA 21 -6.797 -0.301 -0.966 162 H TYR 22 H TYR 22 -4.156 2.435 -2.882 163 HA TYR 22 HA TYR 22 -1.513 2.286 -1.640 164 HB2 TYR 22 2HB TYR 22 -0.868 4.045 -3.194 165 HB3 TYR 22 1HB TYR 22 -1.647 2.730 -4.068 166 HD1 TYR 22 1HD TYR 22 -4.058 3.015 -4.781 167 HD2 TYR 22 2HD TYR 22 -1.712 6.241 -3.299 168 HE1 TYR 22 1HE TYR 22 -5.635 4.614 -5.782 169 HE2 TYR 22 2HE TYR 22 -3.285 7.849 -4.292 170 HH TYR 22 HH TYR 22 -6.337 6.950 -5.467 171 H GLY 23 H GLY 23 -0.585 4.337 -0.785 172 HA2 GLY 23 2HA GLY 23 -1.048 6.566 0.106 173 HA3 GLY 23 1HA GLY 23 -2.655 5.991 0.524 174 H GLY 24 H GLY 24 -2.620 4.022 2.051 175 HA2 GLY 24 2HA GLY 24 -0.381 4.153 3.939 176 HA3 GLY 24 1HA GLY 24 -1.987 4.538 4.538 177 H GLY 25 H GLY 25 -3.519 2.656 3.202 178 HA2 GLY 25 2HA GLY 25 -4.187 0.460 3.300 179 HA3 GLY 25 1HA GLY 25 -2.483 0.029 3.322 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -13.412 -6.869 -4.701 2 H2 GLY 1 2HT GLY 1 -12.707 -5.601 -5.571 3 H3 GLY 1 3HT GLY 1 -14.319 -5.487 -5.068 4 HA2 GLY 1 1HA GLY 1 -12.910 -4.133 -3.661 5 HA3 GLY 1 2HA GLY 1 -13.642 -5.451 -2.757 6 H VAL 2 H VAL 2 -11.141 -3.872 -2.343 7 HA VAL 2 HA VAL 2 -9.126 -5.994 -2.544 8 HB VAL 2 HB VAL 2 -8.462 -3.800 -3.408 9 HG11 VAL 2 1HG1 VAL 2 -8.169 -1.894 -1.907 10 HG12 VAL 2 2HG1 VAL 2 -8.871 -2.825 -0.584 11 HG13 VAL 2 3HG1 VAL 2 -9.857 -2.397 -1.982 12 HG21 VAL 2 3HG2 VAL 2 -7.007 -4.548 -0.873 13 HG22 VAL 2 1HG2 VAL 2 -6.356 -3.570 -2.189 14 HG23 VAL 2 2HG2 VAL 2 -6.755 -5.266 -2.464 15 H VAL 3 H VAL 3 -8.473 -7.104 -0.816 16 HA VAL 3 HA VAL 3 -8.655 -5.989 1.848 17 HB VAL 3 HB VAL 3 -9.946 -7.878 2.767 18 HG11 VAL 3 1HG1 VAL 3 -11.064 -5.767 2.218 19 HG12 VAL 3 2HG1 VAL 3 -12.140 -7.149 2.014 20 HG13 VAL 3 3HG1 VAL 3 -11.417 -6.380 0.602 21 HG21 VAL 3 3HG2 VAL 3 -11.214 -9.339 1.259 22 HG22 VAL 3 1HG2 VAL 3 -9.476 -9.533 1.043 23 HG23 VAL 3 2HG2 VAL 3 -10.411 -8.600 -0.127 24 H ARG 4 H ARG 4 -6.491 -6.778 0.207 25 HA ARG 4 HA ARG 4 -5.312 -8.819 1.938 26 HB2 ARG 4 2HB ARG 4 -5.183 -8.916 -1.083 27 HB3 ARG 4 1HB ARG 4 -4.306 -9.978 0.009 28 HG2 ARG 4 2HG ARG 4 -6.417 -10.870 0.849 29 HG3 ARG 4 1HG ARG 4 -7.302 -9.797 -0.237 30 HD2 ARG 4 2HD ARG 4 -7.151 -12.038 -1.175 31 HD3 ARG 4 1HD ARG 4 -6.254 -10.885 -2.162 32 HE ARG 4 HE ARG 4 -4.472 -12.011 -0.340 33 HH11 ARG 4 1HH1 ARG 4 -6.417 -13.010 -3.059 34 HH12 ARG 4 2HH1 ARG 4 -5.341 -14.286 -3.520 35 HH21 ARG 4 1HH2 ARG 4 -3.054 -13.688 -0.944 36 HH22 ARG 4 2HH2 ARG 4 -3.432 -14.671 -2.321 37 H GLN 5 H GLN 5 -3.532 -7.977 2.775 38 HA GLN 5 HA GLN 5 -2.112 -5.879 1.301 39 HB2 GLN 5 2HB GLN 5 -1.054 -5.343 3.447 40 HB3 GLN 5 1HB GLN 5 -2.808 -5.313 3.571 41 HG2 GLN 5 2HG GLN 5 -2.779 -7.527 4.596 42 HG3 GLN 5 1HG GLN 5 -1.020 -7.562 4.471 43 HE21 GLN 5 1HE2 GLN 5 -2.736 -7.717 6.827 44 HE22 GLN 5 2HE2 GLN 5 -2.253 -6.418 7.858 45 H TRP 6 H TRP 6 0.352 -5.878 1.864 46 HA TRP 6 HA TRP 6 1.654 -8.366 2.238 47 HB2 TRP 6 2HB TRP 6 2.442 -8.831 0.017 48 HB3 TRP 6 1HB TRP 6 0.692 -8.679 -0.065 49 HD1 TRP 6 HD TRP 6 0.301 -5.618 -0.383 50 HE1 TRP 6 1HE TRP 6 1.105 -4.393 -2.499 51 HE3 TRP 6 3HE TRP 6 3.794 -8.986 -1.990 52 HZ2 TRP 6 2HZ TRP 6 2.975 -4.801 -4.575 53 HZ3 TRP 6 3HZ TRP 6 5.047 -8.493 -4.050 54 HH2 TRP 6 HH TRP 6 4.645 -6.445 -5.315 55 H SER 7 H SER 7 4.008 -7.890 0.792 56 HA SER 7 HA SER 7 5.064 -5.642 2.305 57 HB2 SER 7 2HB SER 7 7.274 -6.529 1.641 58 HB3 SER 7 1HB SER 7 6.274 -7.765 2.403 59 HG SER 7 HG SER 7 6.667 -7.410 -0.386 60 H GLY 8 H GLY 8 3.409 -4.763 0.286 61 HA2 GLY 8 2HA GLY 8 5.269 -3.820 -1.801 62 HA3 GLY 8 1HA GLY 8 3.525 -3.923 -1.986 63 H TYR 9 H TYR 9 4.992 -2.682 0.920 64 HA TYR 9 HA TYR 9 3.783 -0.078 0.363 65 HB2 TYR 9 2HB TYR 9 3.172 -1.082 2.484 66 HB3 TYR 9 1HB TYR 9 4.865 -1.279 2.919 67 HD1 TYR 9 1HD TYR 9 2.192 1.216 2.363 68 HD2 TYR 9 2HD TYR 9 6.094 0.499 3.900 69 HE1 TYR 9 1HE TYR 9 2.167 3.425 3.444 70 HE2 TYR 9 2HE TYR 9 6.079 2.704 4.987 71 HH TYR 9 HH TYR 9 4.950 4.872 4.736 72 H ASP 10 H ASP 10 4.942 1.699 -0.048 73 HA ASP 10 HA ASP 10 7.869 1.483 0.106 74 HB2 ASP 10 2HB ASP 10 6.929 1.893 -2.142 75 HB3 ASP 10 1HB ASP 10 6.184 3.374 -1.548 76 HA PRO 11 HA PRO 11 6.981 4.378 3.561 77 HB2 PRO 11 2HB PRO 11 9.456 3.979 4.711 78 HB3 PRO 11 1HB PRO 11 8.024 2.996 5.064 79 HG2 PRO 11 2HG PRO 11 10.317 2.409 3.272 80 HG3 PRO 11 1HG PRO 11 9.406 1.327 4.343 81 HD2 PRO 11 2HD PRO 11 9.013 1.375 1.676 82 HD3 PRO 11 1HD PRO 11 7.705 1.030 2.826 83 H ARG 12 H ARG 12 9.569 4.157 1.245 84 HA ARG 12 HA ARG 12 10.960 6.516 1.862 85 HB2 ARG 12 2HB ARG 12 10.587 5.158 -0.815 86 HB3 ARG 12 1HB ARG 12 11.782 6.399 -0.469 87 HG2 ARG 12 2HG ARG 12 12.860 4.939 1.148 88 HG3 ARG 12 1HG ARG 12 11.642 3.698 0.853 89 HD2 ARG 12 2HD ARG 12 13.572 4.799 -1.188 90 HD3 ARG 12 1HD ARG 12 13.718 3.245 -0.368 91 HE ARG 12 HE ARG 12 11.219 3.475 -1.701 92 HH11 ARG 12 2HH1 ARG 12 14.612 2.876 -2.261 93 HH12 ARG 12 1HH1 ARG 12 14.339 1.949 -3.696 94 HH21 ARG 12 1HH2 ARG 12 10.860 2.255 -3.590 95 HH22 ARG 12 2HH2 ARG 12 12.210 1.596 -4.453 96 H THR 13 H THR 13 8.068 5.925 -0.046 97 HA THR 13 HA THR 13 7.764 8.837 -0.354 98 HB THR 13 HB THR 13 6.478 8.433 -2.410 99 HG1 THR 13 1HG THR 13 5.855 6.240 -1.842 100 HG21 THR 13 3HG2 THR 13 8.874 8.877 -2.591 101 HG22 THR 13 1HG2 THR 13 8.347 7.759 -3.849 102 HG23 THR 13 2HG2 THR 13 9.213 7.153 -2.437 103 H GLY 14 H GLY 14 6.785 6.701 1.634 104 HA2 GLY 14 2HA GLY 14 4.861 6.191 2.793 105 HA3 GLY 14 1HA GLY 14 4.475 7.878 2.496 106 H THR 15 H THR 15 4.673 5.122 0.256 107 HA THR 15 HA THR 15 1.797 5.101 -0.080 108 HB THR 15 HB THR 15 1.924 5.430 -2.546 109 HG1 THR 15 1HG THR 15 3.981 5.208 -3.166 110 HG21 THR 15 3HG2 THR 15 1.216 7.261 -1.081 111 HG22 THR 15 1HG2 THR 15 2.110 7.871 -2.474 112 HG23 THR 15 2HG2 THR 15 2.894 7.769 -0.898 113 H TRP 16 H TRP 16 1.102 3.400 -1.626 114 HA TRP 16 HA TRP 16 2.768 1.050 -1.275 115 HB2 TRP 16 2HB TRP 16 -0.047 1.437 -2.296 116 HB3 TRP 16 1HB TRP 16 0.756 -0.129 -2.260 117 HD1 TRP 16 HD TRP 16 -0.539 2.603 0.133 118 HE1 TRP 16 1HE TRP 16 -0.981 1.521 2.426 119 HE3 TRP 16 3HE TRP 16 1.309 -2.071 -0.804 120 HZ2 TRP 16 2HZ TRP 16 -0.597 -0.983 3.673 121 HZ3 TRP 16 3HZ TRP 16 1.236 -3.751 0.992 122 HH2 TRP 16 HH TRP 16 0.301 -3.216 3.184 123 H ARG 17 H ARG 17 2.425 -0.562 -3.301 124 HA ARG 17 HA ARG 17 3.905 0.704 -5.431 125 HB2 ARG 17 2HB ARG 17 3.114 -2.140 -4.858 126 HB3 ARG 17 1HB ARG 17 3.876 -1.680 -6.374 127 HG2 ARG 17 2HG ARG 17 5.074 -1.163 -3.662 128 HG3 ARG 17 1HG ARG 17 5.431 -2.580 -4.653 129 HD2 ARG 17 2HD ARG 17 7.163 -1.137 -5.189 130 HD3 ARG 17 1HD ARG 17 6.006 -0.856 -6.488 131 HE ARG 17 HE ARG 17 5.566 0.952 -4.355 132 HH11 ARG 17 2HH1 ARG 17 7.737 0.316 -7.013 133 HH12 ARG 17 1HH1 ARG 17 8.194 1.976 -7.201 134 HH21 ARG 17 2HH2 ARG 17 6.167 3.136 -4.599 135 HH22 ARG 17 1HH2 ARG 17 7.304 3.578 -5.830 136 H SER 18 H SER 18 1.408 -1.744 -5.928 137 HA SER 18 HA SER 18 -0.460 -0.011 -7.167 138 HB2 SER 18 2HB SER 18 1.251 0.117 -8.914 139 HB3 SER 18 1HB SER 18 1.286 -1.643 -9.026 140 HG SER 18 HG SER 18 -0.918 -1.546 -9.681 141 H SER 19 H SER 19 0.852 -3.292 -7.007 142 HA SER 19 HA SER 19 -1.301 -4.773 -7.865 143 HB2 SER 19 2HB SER 19 -0.459 -6.585 -6.414 144 HB3 SER 19 1HB SER 19 0.853 -5.777 -7.274 145 HG SER 19 HG SER 19 1.064 -4.482 -5.285 146 H ILE 20 H ILE 20 -0.885 -3.093 -4.828 147 HA ILE 20 HA ILE 20 -3.608 -3.920 -4.055 148 HB ILE 20 HB ILE 20 -1.355 -3.246 -2.160 149 HG12 ILE 20 2HG1 ILE 20 -0.943 -5.384 -3.277 150 HG13 ILE 20 1HG1 ILE 20 -1.372 -5.643 -1.589 151 HG21 ILE 20 1HG2 ILE 20 -2.907 -4.125 -0.443 152 HG22 ILE 20 2HG2 ILE 20 -4.157 -4.249 -1.680 153 HG23 ILE 20 3HG2 ILE 20 -3.505 -2.670 -1.238 154 HD11 ILE 20 3HD1 ILE 20 -2.448 -7.270 -3.026 155 HD12 ILE 20 1HD1 ILE 20 -3.206 -5.974 -3.952 156 HD13 ILE 20 2HD1 ILE 20 -3.646 -6.225 -2.262 157 H ALA 21 H ALA 21 -4.847 -2.337 -2.880 158 HA ALA 21 HA ALA 21 -4.864 0.196 -3.991 159 HB1 ALA 21 1HB ALA 21 -6.419 0.821 -2.224 160 HB2 ALA 21 2HB ALA 21 -5.954 -0.605 -1.295 161 HB3 ALA 21 3HB ALA 21 -6.782 -0.791 -2.840 162 H TYR 22 H TYR 22 -3.762 2.018 -3.666 163 HA TYR 22 HA TYR 22 -1.761 2.064 -1.537 164 HB2 TYR 22 2HB TYR 22 -0.744 3.904 -2.778 165 HB3 TYR 22 1HB TYR 22 -1.020 2.528 -3.841 166 HD1 TYR 22 2HD TYR 22 -2.914 2.595 -5.468 167 HD2 TYR 22 1HD TYR 22 -1.781 6.002 -3.186 168 HE1 TYR 22 2HE TYR 22 -4.150 4.042 -7.025 169 HE2 TYR 22 1HE TYR 22 -3.015 7.458 -4.734 170 HH TYR 22 HH TYR 22 -3.816 7.419 -7.056 171 H GLY 23 H GLY 23 -1.327 4.297 -0.579 172 HA2 GLY 23 2HA GLY 23 -2.071 6.243 0.455 173 HA3 GLY 23 1HA GLY 23 -3.634 6.024 -0.316 174 H GLY 24 H GLY 24 -1.584 4.559 2.204 175 HA2 GLY 24 2HA GLY 24 -2.408 4.487 4.487 176 HA3 GLY 24 1HA GLY 24 -4.025 4.261 3.838 177 H GLY 25 H GLY 25 -4.158 2.227 2.351 178 HA2 GLY 25 2HA GLY 25 -2.681 0.025 2.309 179 HA3 GLY 25 1HA GLY 25 -3.204 0.009 3.987 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -13.811 -2.437 -2.800 2 H2 GLY 1 2HT GLY 1 -13.773 -4.012 -3.416 3 H3 GLY 1 3HT GLY 1 -14.127 -2.713 -4.441 4 HA2 GLY 1 1HA GLY 1 -11.866 -3.463 -4.796 5 HA3 GLY 1 2HA GLY 1 -11.906 -1.826 -4.157 6 H VAL 2 H VAL 2 -12.262 -4.984 -2.560 7 HA VAL 2 HA VAL 2 -10.131 -4.177 -0.704 8 HB VAL 2 HB VAL 2 -12.186 -6.360 -0.336 9 HG11 VAL 2 1HG1 VAL 2 -10.259 -5.086 1.604 10 HG12 VAL 2 2HG1 VAL 2 -10.152 -6.720 0.948 11 HG13 VAL 2 3HG1 VAL 2 -11.487 -6.283 2.013 12 HG21 VAL 2 3HG2 VAL 2 -13.297 -4.813 1.211 13 HG22 VAL 2 1HG2 VAL 2 -13.272 -4.185 -0.436 14 HG23 VAL 2 2HG2 VAL 2 -12.147 -3.552 0.765 15 H VAL 3 H VAL 3 -8.345 -5.424 -0.380 16 HA VAL 3 HA VAL 3 -8.161 -8.042 -1.644 17 HB VAL 3 HB VAL 3 -6.082 -7.522 -2.814 18 HG11 VAL 3 1HG1 VAL 3 -7.010 -6.149 -4.616 19 HG12 VAL 3 2HG1 VAL 3 -8.330 -5.657 -3.557 20 HG13 VAL 3 3HG1 VAL 3 -8.173 -7.343 -4.042 21 HG21 VAL 3 3HG2 VAL 3 -5.277 -5.719 -1.390 22 HG22 VAL 3 1HG2 VAL 3 -6.584 -4.676 -1.949 23 HG23 VAL 3 2HG2 VAL 3 -5.333 -5.202 -3.076 24 H ARG 4 H ARG 4 -5.611 -8.704 -1.297 25 HA ARG 4 HA ARG 4 -5.318 -8.638 1.597 26 HB2 ARG 4 2HB ARG 4 -3.809 -10.230 -0.483 27 HB3 ARG 4 1HB ARG 4 -3.669 -10.427 1.258 28 HG2 ARG 4 2HG ARG 4 -6.116 -10.950 -0.415 29 HG3 ARG 4 1HG ARG 4 -5.076 -12.154 0.347 30 HD2 ARG 4 2HD ARG 4 -6.695 -10.066 1.801 31 HD3 ARG 4 1HD ARG 4 -7.142 -11.761 1.621 32 HE ARG 4 HE ARG 4 -4.572 -11.546 2.777 33 HH11 ARG 4 1HH1 ARG 4 -7.950 -11.101 3.538 34 HH12 ARG 4 2HH1 ARG 4 -7.739 -11.416 5.228 35 HH21 ARG 4 1HH2 ARG 4 -4.293 -11.963 4.998 36 HH22 ARG 4 2HH2 ARG 4 -5.663 -11.906 6.056 37 H GLN 5 H GLN 5 -3.455 -7.997 2.676 38 HA GLN 5 HA GLN 5 -1.812 -6.072 1.196 39 HB2 GLN 5 2HB GLN 5 -2.963 -5.203 3.162 40 HB3 GLN 5 1HB GLN 5 -2.233 -6.447 4.166 41 HG2 GLN 5 2HG GLN 5 -0.018 -5.496 3.704 42 HG3 GLN 5 1HG GLN 5 -0.779 -4.228 2.744 43 HE21 GLN 5 1HE2 GLN 5 -0.248 -5.482 5.939 44 HE22 GLN 5 2HE2 GLN 5 -0.779 -4.084 6.800 45 H TRP 6 H TRP 6 0.469 -6.012 1.478 46 HA TRP 6 HA TRP 6 1.763 -8.271 2.758 47 HB2 TRP 6 2HB TRP 6 2.864 -9.104 0.805 48 HB3 TRP 6 1HB TRP 6 1.151 -9.003 0.420 49 HD1 TRP 6 HD TRP 6 0.533 -6.474 -0.856 50 HE1 TRP 6 1HE TRP 6 1.791 -5.464 -2.863 51 HE3 TRP 6 3HE TRP 6 4.949 -9.003 -0.396 52 HZ2 TRP 6 2HZ TRP 6 4.325 -5.705 -4.084 53 HZ3 TRP 6 3HZ TRP 6 6.740 -8.555 -2.023 54 HH2 TRP 6 HH TRP 6 6.432 -6.941 -3.829 55 H SER 7 H SER 7 4.271 -7.799 1.288 56 HA SER 7 HA SER 7 5.087 -5.410 2.739 57 HB2 SER 7 2HB SER 7 6.731 -7.507 1.303 58 HB3 SER 7 1HB SER 7 7.386 -6.181 2.264 59 HG SER 7 HG SER 7 7.220 -8.151 3.445 60 H GLY 8 H GLY 8 3.499 -5.021 0.372 61 HA2 GLY 8 2HA GLY 8 5.423 -4.032 -1.604 62 HA3 GLY 8 1HA GLY 8 3.689 -4.181 -1.837 63 H TYR 9 H TYR 9 5.045 -2.723 1.024 64 HA TYR 9 HA TYR 9 3.857 -0.166 0.224 65 HB2 TYR 9 2HB TYR 9 3.052 -1.017 2.337 66 HB3 TYR 9 1HB TYR 9 4.696 -1.235 2.925 67 HD1 TYR 9 1HD TYR 9 2.205 1.330 1.936 68 HD2 TYR 9 2HD TYR 9 5.838 0.523 3.999 69 HE1 TYR 9 1HE TYR 9 2.154 3.592 2.902 70 HE2 TYR 9 2HE TYR 9 5.796 2.781 4.970 71 HH TYR 9 HH TYR 9 3.059 4.784 4.850 72 H ASP 10 H ASP 10 5.079 1.528 -0.290 73 HA ASP 10 HA ASP 10 7.975 1.331 0.144 74 HB2 ASP 10 2HB ASP 10 7.072 1.651 -2.187 75 HB3 ASP 10 1HB ASP 10 6.507 3.241 -1.680 76 HA PRO 11 HA PRO 11 6.869 4.419 3.358 77 HB2 PRO 11 2HB PRO 11 9.189 4.013 4.777 78 HB3 PRO 11 1HB PRO 11 7.710 3.065 5.008 79 HG2 PRO 11 2HG PRO 11 10.170 2.379 3.496 80 HG3 PRO 11 1HG PRO 11 9.131 1.352 4.504 81 HD2 PRO 11 2HD PRO 11 9.028 1.313 1.804 82 HD3 PRO 11 1HD PRO 11 7.611 1.000 2.824 83 H ARG 12 H ARG 12 9.598 4.056 1.250 84 HA ARG 12 HA ARG 12 11.140 6.267 1.908 85 HB2 ARG 12 2HB ARG 12 10.594 5.117 -0.833 86 HB3 ARG 12 1HB ARG 12 11.896 6.234 -0.450 87 HG2 ARG 12 2HG ARG 12 12.874 4.592 1.064 88 HG3 ARG 12 1HG ARG 12 11.558 3.473 0.703 89 HD2 ARG 12 2HD ARG 12 13.530 4.565 -1.302 90 HD3 ARG 12 1HD ARG 12 13.597 2.961 -0.573 91 HE ARG 12 HE ARG 12 11.087 3.346 -1.797 92 HH11 ARG 12 2HH1 ARG 12 14.443 2.831 -2.604 93 HH12 ARG 12 1HH1 ARG 12 14.092 2.062 -4.115 94 HH21 ARG 12 1HH2 ARG 12 10.623 2.339 -3.784 95 HH22 ARG 12 2HH2 ARG 12 11.922 1.783 -4.786 96 H THR 13 H THR 13 8.129 6.084 0.118 97 HA THR 13 HA THR 13 8.014 9.014 0.169 98 HB THR 13 HB THR 13 8.608 8.375 -2.124 99 HG1 THR 13 1HG THR 13 6.971 9.574 -3.092 100 HG21 THR 13 3HG2 THR 13 7.039 7.098 -3.504 101 HG22 THR 13 1HG2 THR 13 6.011 6.834 -2.095 102 HG23 THR 13 2HG2 THR 13 7.626 6.132 -2.151 103 H GLY 14 H GLY 14 6.774 6.551 1.563 104 HA2 GLY 14 2HA GLY 14 4.749 5.977 2.477 105 HA3 GLY 14 1HA GLY 14 4.379 7.688 2.343 106 H THR 15 H THR 15 4.577 4.807 0.248 107 HA THR 15 HA THR 15 1.867 5.232 -0.648 108 HB THR 15 HB THR 15 2.422 5.327 -3.045 109 HG1 THR 15 1HG THR 15 4.454 4.541 -3.237 110 HG21 THR 15 3HG2 THR 15 3.730 7.566 -1.497 111 HG22 THR 15 1HG2 THR 15 1.995 7.408 -1.768 112 HG23 THR 15 2HG2 THR 15 3.083 7.655 -3.135 113 H TRP 16 H TRP 16 1.159 3.516 -2.155 114 HA TRP 16 HA TRP 16 2.554 1.007 -1.534 115 HB2 TRP 16 2HB TRP 16 -0.316 1.586 -2.270 116 HB3 TRP 16 1HB TRP 16 0.342 -0.046 -2.165 117 HD1 TRP 16 HD TRP 16 -0.479 2.988 0.053 118 HE1 TRP 16 1HE TRP 16 -0.708 2.177 2.485 119 HE3 TRP 16 3HE TRP 16 0.992 -1.869 -0.568 120 HZ2 TRP 16 2HZ TRP 16 -0.315 -0.205 3.945 121 HZ3 TRP 16 3HZ TRP 16 1.039 -3.347 1.398 122 HH2 TRP 16 HH TRP 16 0.400 -2.530 3.608 123 H ARG 17 H ARG 17 2.634 -0.653 -3.194 124 HA ARG 17 HA ARG 17 3.697 0.281 -5.599 125 HB2 ARG 17 2HB ARG 17 2.699 -2.444 -4.789 126 HB3 ARG 17 1HB ARG 17 3.466 -2.138 -6.342 127 HG2 ARG 17 2HG ARG 17 4.734 -1.615 -3.661 128 HG3 ARG 17 1HG ARG 17 5.010 -3.049 -4.652 129 HD2 ARG 17 2HD ARG 17 5.867 -1.620 -6.455 130 HD3 ARG 17 1HD ARG 17 5.613 -0.200 -5.440 131 HE ARG 17 HE ARG 17 7.229 -1.997 -4.039 132 HH11 ARG 17 2HH1 ARG 17 7.376 0.016 -6.886 133 HH12 ARG 17 1HH1 ARG 17 9.090 0.243 -6.791 134 HH21 ARG 17 2HH2 ARG 17 9.484 -1.699 -3.911 135 HH22 ARG 17 1HH2 ARG 17 10.287 -0.732 -5.101 136 H SER 18 H SER 18 0.991 -1.992 -5.783 137 HA SER 18 HA SER 18 -0.831 -0.183 -6.974 138 HB2 SER 18 2HB SER 18 0.759 -0.235 -8.831 139 HB3 SER 18 1HB SER 18 0.672 -1.997 -8.876 140 HG SER 18 HG SER 18 -0.697 -1.073 -10.436 141 H SER 19 H SER 19 0.268 -3.542 -6.812 142 HA SER 19 HA SER 19 -2.053 -4.876 -7.454 143 HB2 SER 19 2HB SER 19 -0.031 -6.115 -7.110 144 HB3 SER 19 1HB SER 19 0.078 -5.585 -5.433 145 HG SER 19 HG SER 19 -1.292 -7.089 -4.875 146 H ILE 20 H ILE 20 -1.308 -3.117 -4.542 147 HA ILE 20 HA ILE 20 -3.965 -3.841 -3.490 148 HB ILE 20 HB ILE 20 -1.542 -3.122 -1.831 149 HG12 ILE 20 2HG1 ILE 20 -1.933 -5.575 -1.044 150 HG13 ILE 20 1HG1 ILE 20 -2.778 -5.756 -2.580 151 HG21 ILE 20 1HG2 ILE 20 -3.639 -2.433 -0.807 152 HG22 ILE 20 2HG2 ILE 20 -2.935 -3.791 0.071 153 HG23 ILE 20 3HG2 ILE 20 -4.292 -4.058 -1.021 154 HD11 ILE 20 3HD1 ILE 20 -0.436 -6.489 -2.665 155 HD12 ILE 20 1HD1 ILE 20 0.071 -4.844 -2.279 156 HD13 ILE 20 2HD1 ILE 20 -0.778 -5.174 -3.787 157 H ALA 21 H ALA 21 -5.126 -2.183 -2.400 158 HA ALA 21 HA ALA 21 -5.149 0.294 -3.616 159 HB1 ALA 21 1HB ALA 21 -6.606 1.031 -1.811 160 HB2 ALA 21 2HB ALA 21 -6.111 -0.347 -0.829 161 HB3 ALA 21 3HB ALA 21 -7.021 -0.606 -2.318 162 H TYR 22 H TYR 22 -4.061 2.153 -3.392 163 HA TYR 22 HA TYR 22 -1.929 2.239 -1.392 164 HB2 TYR 22 2HB TYR 22 -0.965 4.029 -2.754 165 HB3 TYR 22 1HB TYR 22 -1.293 2.606 -3.738 166 HD1 TYR 22 2HD TYR 22 -3.237 2.607 -5.294 167 HD2 TYR 22 1HD TYR 22 -2.042 6.106 -3.189 168 HE1 TYR 22 2HE TYR 22 -4.543 3.985 -6.857 169 HE2 TYR 22 1HE TYR 22 -3.345 7.494 -4.747 170 HH TYR 22 HH TYR 22 -5.612 6.195 -6.914 171 H GLY 23 H GLY 23 -1.403 4.601 -0.681 172 HA2 GLY 23 2HA GLY 23 -2.070 6.572 0.339 173 HA3 GLY 23 1HA GLY 23 -3.687 6.318 -0.302 174 H GLY 24 H GLY 24 -1.513 4.684 2.016 175 HA2 GLY 24 2HA GLY 24 -2.047 4.711 4.385 176 HA3 GLY 24 1HA GLY 24 -3.748 4.714 3.942 177 H GLY 25 H GLY 25 -4.368 2.735 2.530 178 HA2 GLY 25 2HA GLY 25 -4.077 0.413 2.083 179 HA3 GLY 25 1HA GLY 25 -2.911 0.337 3.395
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