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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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3674 |
1e0q ![]() ![]() |
cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -14.044 0.236 -0.523 2 H2 MET 1 H2 MET 1 -15.186 1.479 -0.639 3 H3 MET 1 H3 MET 1 -14.434 0.885 -2.035 4 HA MET 1 HA MET 1 -13.359 2.861 -1.656 5 1HB MET 1 1HB MET 1 -12.351 3.466 0.631 6 2HB MET 1 2HB MET 1 -14.085 3.617 0.462 7 1HG MET 1 1HG MET 1 -12.996 1.125 1.719 8 2HG MET 1 2HG MET 1 -12.956 2.624 2.645 9 1HE MET 1 1HE MET 1 -14.978 4.084 3.111 10 2HE MET 1 2HE MET 1 -16.478 3.328 3.652 11 3HE MET 1 3HE MET 1 -14.947 2.899 4.419 12 H GLN 2 H GLN 2 -11.297 3.174 -2.226 13 HA GLN 2 HA GLN 2 -9.266 1.110 -1.685 14 1HB GLN 2 1HB GLN 2 -10.140 2.226 -4.317 15 2HB GLN 2 2HB GLN 2 -8.418 1.951 -4.098 16 1HG GLN 2 1HG GLN 2 -8.664 -0.339 -3.923 17 2HG GLN 2 2HG GLN 2 -10.364 -0.226 -3.468 18 2HE2 GLN 2 2HE2 GLN 2 -8.081 -0.258 -6.141 19 1HE2 GLN 2 1HE2 GLN 2 -9.265 -0.428 -7.388 20 H ILE 3 H ILE 3 -7.400 1.766 -0.903 21 HA ILE 3 HA ILE 3 -6.309 4.433 -1.248 22 HB ILE 3 HB ILE 3 -5.768 4.631 1.298 23 1HG1 ILE 3 2HG1 ILE 3 -8.355 3.705 2.277 24 2HG1 ILE 3 1HG1 ILE 3 -7.537 2.353 1.514 25 1HG2 ILE 3 1HG2 ILE 3 -8.457 5.297 0.130 26 2HG2 ILE 3 2HG2 ILE 3 -7.883 5.936 1.670 27 3HG2 ILE 3 3HG2 ILE 3 -7.005 6.298 0.182 28 1HD1 ILE 3 1HD1 ILE 3 -6.054 4.008 3.494 29 2HD1 ILE 3 2HD1 ILE 3 -7.248 2.834 4.050 30 3HD1 ILE 3 3HD1 ILE 3 -5.872 2.302 3.083 31 H PHE 4 H PHE 4 -4.296 4.352 -1.743 32 HA PHE 4 HA PHE 4 -2.717 1.907 -1.504 33 1HB PHE 4 1HB PHE 4 -2.762 4.292 -3.259 34 2HB PHE 4 2HB PHE 4 -1.165 3.651 -2.942 35 HD1 PHE 4 HD1 PHE 4 -4.623 2.774 -4.508 36 HD2 PHE 4 HD2 PHE 4 -0.265 1.683 -4.122 37 HE1 PHE 4 HE1 PHE 4 -4.861 1.124 -6.483 38 HE2 PHE 4 HE2 PHE 4 -0.517 0.026 -6.097 39 HZ PHE 4 HZ PHE 4 -2.807 -0.248 -7.288 40 H VAL 5 H VAL 5 -0.694 1.661 -0.617 41 HA VAL 5 HA VAL 5 0.627 3.806 0.863 42 HB VAL 5 HB VAL 5 1.100 2.217 2.861 43 1HG1 VAL 5 1HG1 VAL 5 -0.135 4.253 3.096 44 2HG1 VAL 5 2HG1 VAL 5 -1.615 3.466 2.550 45 3HG1 VAL 5 3HG1 VAL 5 -0.879 2.994 4.083 46 1HG2 VAL 5 1HG2 VAL 5 -1.491 0.874 2.003 47 2HG2 VAL 5 2HG2 VAL 5 0.092 0.103 2.104 48 3HG2 VAL 5 3HG2 VAL 5 -0.706 0.679 3.570 49 H LYS 6 H LYS 6 2.779 3.831 0.771 50 HA LYS 6 HA LYS 6 4.286 1.512 -0.272 51 1HB LYS 6 1HB LYS 6 3.758 3.757 -1.752 52 2HB LYS 6 2HB LYS 6 5.299 4.193 -1.033 53 1HG LYS 6 1HG LYS 6 6.399 2.348 -2.048 54 2HG LYS 6 2HG LYS 6 4.870 1.618 -2.539 55 1HD LYS 6 1HD LYS 6 4.541 3.132 -4.266 56 2HD LYS 6 2HD LYS 6 5.587 4.356 -3.542 57 1HE LYS 6 1HE LYS 6 7.547 3.173 -4.162 58 2HE LYS 6 2HE LYS 6 6.624 1.736 -4.601 59 1HZ LYS 6 1HZ LYS 6 6.460 4.351 -5.999 60 2HZ LYS 6 2HZ LYS 6 7.349 3.016 -6.541 61 3HZ LYS 6 3HZ LYS 6 5.662 2.927 -6.445 62 H THR 7 H THR 7 6.355 1.149 0.456 63 HA THR 7 HA THR 7 7.398 2.686 2.772 64 HB THR 7 HB THR 7 8.597 0.482 3.383 65 HG1 THR 7 HG1 THR 7 6.552 -0.568 1.708 66 1HG2 THR 7 1HG2 THR 7 5.638 0.868 3.751 67 2HG2 THR 7 2HG2 THR 7 6.504 -0.477 4.496 68 3HG2 THR 7 3HG2 THR 7 6.943 1.186 4.894 69 H LEU 8 H LEU 8 9.615 3.082 2.965 70 HA LEU 8 HA LEU 8 11.166 3.506 0.594 71 1HB LEU 8 1HB LEU 8 11.540 3.985 3.513 72 2HB LEU 8 2HB LEU 8 12.966 4.032 2.499 73 HG LEU 8 HG LEU 8 10.920 5.638 1.232 74 1HD1 LEU 8 1HD1 LEU 8 9.955 5.804 3.510 75 2HD1 LEU 8 2HD1 LEU 8 11.466 6.536 4.052 76 3HD1 LEU 8 3HD1 LEU 8 10.479 7.346 2.836 77 1HD2 LEU 8 1HD2 LEU 8 13.540 6.376 2.530 78 2HD2 LEU 8 2HD2 LEU 8 13.258 6.003 0.830 79 3HD2 LEU 8 3HD2 LEU 8 12.567 7.463 1.539 80 H ASP 9 H ASP 9 10.965 0.725 2.658 81 HA ASP 9 HA ASP 9 13.575 -0.447 2.370 82 1HB ASP 9 1HB ASP 9 11.004 -1.251 3.593 83 2HB ASP 9 2HB ASP 9 12.012 -2.580 3.034 84 H GLY 10 H GLY 10 10.496 -0.855 0.566 85 1HA GLY 10 2HA GLY 10 11.819 -2.591 -1.454 86 2HA GLY 10 1HA GLY 10 10.760 -1.265 -1.892 87 H LYS 11 H LYS 11 8.510 -1.433 -0.593 88 HA LYS 11 HA LYS 11 7.278 -4.012 -1.310 89 1HB LYS 11 1HB LYS 11 7.163 -2.718 1.399 90 2HB LYS 11 2HB LYS 11 5.756 -3.588 0.819 91 1HG LYS 11 1HG LYS 11 7.025 -5.628 0.665 92 2HG LYS 11 2HG LYS 11 8.511 -4.772 1.089 93 1HD LYS 11 1HD LYS 11 7.329 -4.103 3.246 94 2HD LYS 11 2HD LYS 11 6.100 -5.297 2.820 95 1HE LYS 11 1HE LYS 11 8.016 -6.960 2.637 96 2HE LYS 11 2HE LYS 11 9.006 -5.733 3.431 97 1HZ LYS 11 1HZ LYS 11 7.423 -5.753 5.284 98 2HZ LYS 11 2HZ LYS 11 6.553 -6.993 4.531 99 3HZ LYS 11 3HZ LYS 11 8.140 -7.267 5.049 100 H THR 12 H THR 12 5.196 -3.935 -2.111 101 HA THR 12 HA THR 12 3.621 -1.471 -2.135 102 HB THR 12 HB THR 12 3.073 -1.876 -4.650 103 HG1 THR 12 HG1 THR 12 4.181 -3.436 -5.532 104 1HG2 THR 12 1HG2 THR 12 4.396 0.060 -3.622 105 2HG2 THR 12 2HG2 THR 12 5.836 -0.782 -4.194 106 3HG2 THR 12 3HG2 THR 12 4.612 -0.245 -5.345 107 H ILE 13 H ILE 13 1.707 -1.918 -1.389 108 HA ILE 13 HA ILE 13 0.031 -4.132 -2.223 109 HB ILE 13 HB ILE 13 -0.586 -4.752 0.237 110 1HG1 ILE 13 1HG1 ILE 13 2.177 -4.738 1.242 111 2HG1 ILE 13 2HG1 ILE 13 1.652 -3.094 0.924 112 1HG2 ILE 13 1HG2 ILE 13 1.881 -5.842 -1.096 113 2HG2 ILE 13 2HG2 ILE 13 1.015 -6.637 0.221 114 3HG2 ILE 13 3HG2 ILE 13 0.211 -6.361 -1.326 115 1HD1 ILE 13 1HD1 ILE 13 0.063 -5.011 2.605 116 2HD1 ILE 13 2HD1 ILE 13 1.307 -3.948 3.265 117 3HD1 ILE 13 3HD1 ILE 13 -0.119 -3.259 2.484 118 H THR 14 H THR 14 -2.149 -3.808 -2.044 119 HA THR 14 HA THR 14 -3.102 -1.109 -1.505 120 HB THR 14 HB THR 14 -5.375 -2.051 -2.240 121 HG1 THR 14 HG1 THR 14 -5.411 -4.155 -2.430 122 1HG2 THR 14 1HG2 THR 14 -3.550 -0.858 -3.707 123 2HG2 THR 14 2HG2 THR 14 -3.505 -2.433 -4.503 124 3HG2 THR 14 3HG2 THR 14 -5.023 -1.536 -4.405 125 H LEU 15 H LEU 15 -4.595 -0.415 -0.029 126 HA LEU 15 HA LEU 15 -5.328 -2.196 2.197 127 1HB LEU 15 1HB LEU 15 -3.871 0.162 2.338 128 2HB LEU 15 2HB LEU 15 -5.488 0.707 2.724 129 HG LEU 15 HG LEU 15 -4.925 -1.685 4.271 130 1HD1 LEU 15 1HD1 LEU 15 -2.871 0.492 4.615 131 2HD1 LEU 15 2HD1 LEU 15 -3.114 -0.882 5.693 132 3HD1 LEU 15 3HD1 LEU 15 -2.570 -1.148 4.038 133 1HD2 LEU 15 1HD2 LEU 15 -5.350 1.186 5.101 134 2HD2 LEU 15 2HD2 LEU 15 -6.584 -0.064 4.943 135 3HD2 LEU 15 3HD2 LEU 15 -5.350 -0.199 6.195 136 H GLU 16 H GLU 16 -7.258 -2.969 1.836 137 HA GLU 16 HA GLU 16 -9.513 -1.254 0.995 138 1HB GLU 16 1HB GLU 16 -8.559 -3.853 -0.127 139 2HB GLU 16 2HB GLU 16 -10.297 -3.602 -0.050 140 1HG GLU 16 1HG GLU 16 -9.781 -1.358 -1.247 141 2HG GLU 16 2HG GLU 16 -8.236 -2.109 -1.639 142 H VAL 17 H VAL 17 -11.534 -1.593 1.884 143 HA VAL 17 HA VAL 17 -11.943 -3.661 3.936 144 HB VAL 17 HB VAL 17 -13.275 -1.969 5.371 145 1HG1 VAL 17 1HG1 VAL 17 -11.201 -3.069 6.048 146 2HG1 VAL 17 2HG1 VAL 17 -10.280 -1.724 5.375 147 3HG1 VAL 17 3HG1 VAL 17 -11.369 -1.454 6.735 148 1HG2 VAL 17 1HG2 VAL 17 -13.089 0.015 3.758 149 2HG2 VAL 17 2HG2 VAL 17 -12.707 0.345 5.449 150 3HG2 VAL 17 3HG2 VAL 17 -11.408 0.152 4.274 No H/Q in entry = 150 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -14.146 0.229 -1.913 2 H2 MET 1 H2 MET 1 -13.942 -0.098 -0.266 3 H3 MET 1 H3 MET 1 -15.098 1.032 -0.766 4 HA MET 1 HA MET 1 -13.393 2.494 -1.592 5 1HB MET 1 1HB MET 1 -14.100 2.026 1.028 6 2HB MET 1 2HB MET 1 -12.349 1.956 1.126 7 1HG MET 1 1HG MET 1 -12.088 4.175 0.637 8 2HG MET 1 2HG MET 1 -13.593 4.268 -0.279 9 1HE MET 1 1HE MET 1 -11.834 4.092 3.021 10 2HE MET 1 2HE MET 1 -12.127 5.826 2.886 11 3HE MET 1 3HE MET 1 -12.908 4.899 4.168 12 H GLN 2 H GLN 2 -11.297 3.012 -2.109 13 HA GLN 2 HA GLN 2 -9.134 1.048 -1.771 14 1HB GLN 2 1HB GLN 2 -10.146 2.203 -4.341 15 2HB GLN 2 2HB GLN 2 -8.408 2.016 -4.168 16 1HG GLN 2 1HG GLN 2 -8.542 -0.303 -4.020 17 2HG GLN 2 2HG GLN 2 -10.259 -0.273 -3.624 18 2HE2 GLN 2 2HE2 GLN 2 -7.885 -0.134 -6.211 19 1HE2 GLN 2 1HE2 GLN 2 -9.015 -0.305 -7.505 20 H ILE 3 H ILE 3 -7.311 1.808 -0.994 21 HA ILE 3 HA ILE 3 -6.354 4.519 -1.315 22 HB ILE 3 HB ILE 3 -5.839 4.753 1.240 23 1HG1 ILE 3 2HG1 ILE 3 -8.410 3.785 2.206 24 2HG1 ILE 3 1HG1 ILE 3 -7.574 2.442 1.447 25 1HG2 ILE 3 1HG2 ILE 3 -7.268 6.208 -0.199 26 2HG2 ILE 3 2HG2 ILE 3 -8.669 5.309 0.384 27 3HG2 ILE 3 3HG2 ILE 3 -7.674 6.226 1.517 28 1HD1 ILE 3 1HD1 ILE 3 -6.137 4.125 3.444 29 2HD1 ILE 3 2HD1 ILE 3 -7.293 2.904 3.975 30 3HD1 ILE 3 3HD1 ILE 3 -5.894 2.433 3.012 31 H PHE 4 H PHE 4 -4.325 4.526 -1.761 32 HA PHE 4 HA PHE 4 -2.669 2.139 -1.505 33 1HB PHE 4 1HB PHE 4 -2.744 4.540 -3.238 34 2HB PHE 4 2HB PHE 4 -1.138 3.938 -2.893 35 HD1 PHE 4 HD1 PHE 4 -4.539 2.987 -4.538 36 HD2 PHE 4 HD2 PHE 4 -0.164 2.001 -4.070 37 HE1 PHE 4 HE1 PHE 4 -4.697 1.338 -6.522 38 HE2 PHE 4 HE2 PHE 4 -0.335 0.347 -6.055 39 HZ PHE 4 HZ PHE 4 -2.594 0.022 -7.292 40 H VAL 5 H VAL 5 -0.697 1.921 -0.548 41 HA VAL 5 HA VAL 5 0.642 4.062 0.895 42 HB VAL 5 HB VAL 5 0.942 2.597 3.021 43 1HG1 VAL 5 1HG1 VAL 5 -0.310 4.753 2.806 44 2HG1 VAL 5 2HG1 VAL 5 -1.789 3.795 2.708 45 3HG1 VAL 5 3HG1 VAL 5 -0.782 3.719 4.154 46 1HG2 VAL 5 1HG2 VAL 5 -0.280 0.527 2.178 47 2HG2 VAL 5 2HG2 VAL 5 -0.784 1.109 3.766 48 3HG2 VAL 5 3HG2 VAL 5 -1.780 1.437 2.349 49 H LYS 6 H LYS 6 2.801 3.935 0.928 50 HA LYS 6 HA LYS 6 4.155 1.490 -0.042 51 1HB LYS 6 1HB LYS 6 4.014 3.908 -1.349 52 2HB LYS 6 2HB LYS 6 5.547 4.055 -0.507 53 1HG LYS 6 1HG LYS 6 6.504 2.265 -1.666 54 2HG LYS 6 2HG LYS 6 4.938 1.627 -2.166 55 1HD LYS 6 1HD LYS 6 4.660 3.266 -3.818 56 2HD LYS 6 2HD LYS 6 5.882 4.325 -3.107 57 1HE LYS 6 1HE LYS 6 7.648 2.930 -3.852 58 2HE LYS 6 2HE LYS 6 6.537 1.627 -4.272 59 1HZ LYS 6 1HZ LYS 6 6.582 4.278 -5.609 60 2HZ LYS 6 2HZ LYS 6 7.358 2.898 -6.205 61 3HZ LYS 6 3HZ LYS 6 5.673 2.926 -6.066 62 H THR 7 H THR 7 6.044 0.813 0.860 63 HA THR 7 HA THR 7 6.717 1.611 3.584 64 HB THR 7 HB THR 7 8.401 -0.339 3.373 65 HG1 THR 7 HG1 THR 7 8.580 -1.003 1.384 66 1HG2 THR 7 1HG2 THR 7 6.257 -0.511 4.602 67 2HG2 THR 7 2HG2 THR 7 5.470 -1.028 3.110 68 3HG2 THR 7 3HG2 THR 7 6.726 -2.030 3.838 69 H LEU 8 H LEU 8 8.235 1.747 0.361 70 HA LEU 8 HA LEU 8 9.889 2.920 -0.636 71 1HB LEU 8 1HB LEU 8 10.333 4.245 2.054 72 2HB LEU 8 2HB LEU 8 11.411 4.542 0.707 73 HG LEU 8 HG LEU 8 8.653 4.930 -0.154 74 1HD1 LEU 8 1HD1 LEU 8 8.353 5.433 2.294 75 2HD1 LEU 8 2HD1 LEU 8 9.443 6.799 2.064 76 3HD1 LEU 8 3HD1 LEU 8 7.919 6.730 1.180 77 1HD2 LEU 8 1HD2 LEU 8 10.972 6.850 0.078 78 2HD2 LEU 8 2HD2 LEU 8 10.539 5.887 -1.335 79 3HD2 LEU 8 3HD2 LEU 8 9.464 7.169 -0.778 80 H ASP 9 H ASP 9 10.521 0.739 1.951 81 HA ASP 9 HA ASP 9 13.366 0.365 1.708 82 1HB ASP 9 1HB ASP 9 11.487 -0.361 3.595 83 2HB ASP 9 2HB ASP 9 11.881 -1.902 2.842 84 H GLY 10 H GLY 10 10.504 -1.290 0.297 85 1HA GLY 10 2HA GLY 10 12.101 -3.288 -1.156 86 2HA GLY 10 1HA GLY 10 11.261 -2.090 -2.118 87 H LYS 11 H LYS 11 8.814 -1.893 -0.657 88 HA LYS 11 HA LYS 11 7.410 -4.348 -1.451 89 1HB LYS 11 1HB LYS 11 7.461 -3.275 1.357 90 2HB LYS 11 2HB LYS 11 5.973 -3.988 0.757 91 1HG LYS 11 1HG LYS 11 7.050 -6.096 0.404 92 2HG LYS 11 2HG LYS 11 8.630 -5.401 0.785 93 1HD LYS 11 1HD LYS 11 7.740 -4.844 3.057 94 2HD LYS 11 2HD LYS 11 6.290 -5.763 2.652 95 1HE LYS 11 1HE LYS 11 7.736 -7.735 2.231 96 2HE LYS 11 2HE LYS 11 9.112 -6.795 2.806 97 1HZ LYS 11 1HZ LYS 11 6.689 -7.429 4.401 98 2HZ LYS 11 2HZ LYS 11 8.178 -8.220 4.537 99 3HZ LYS 11 3HZ LYS 11 8.050 -6.585 4.949 100 H THR 12 H THR 12 5.307 -4.089 -2.161 101 HA THR 12 HA THR 12 3.874 -1.545 -1.954 102 HB THR 12 HB THR 12 3.243 -1.727 -4.476 103 HG1 THR 12 HG1 THR 12 4.326 -3.103 -5.645 104 1HG2 THR 12 1HG2 THR 12 4.668 0.067 -3.367 105 2HG2 THR 12 2HG2 THR 12 6.067 -0.814 -3.982 106 3HG2 THR 12 3HG2 THR 12 4.880 -0.148 -5.105 107 H ILE 13 H ILE 13 1.890 -1.917 -1.305 108 HA ILE 13 HA ILE 13 0.154 -4.037 -2.250 109 HB ILE 13 HB ILE 13 -0.528 -4.722 0.183 110 1HG1 ILE 13 1HG1 ILE 13 2.240 -4.856 1.190 111 2HG1 ILE 13 2HG1 ILE 13 1.757 -3.185 0.959 112 1HG2 ILE 13 1HG2 ILE 13 1.895 -5.869 -1.187 113 2HG2 ILE 13 2HG2 ILE 13 0.997 -6.676 0.100 114 3HG2 ILE 13 3HG2 ILE 13 0.203 -6.308 -1.431 115 1HD1 ILE 13 1HD1 ILE 13 0.098 -5.132 2.530 116 2HD1 ILE 13 2HD1 ILE 13 1.394 -4.179 3.254 117 3HD1 ILE 13 3HD1 ILE 13 0.003 -3.370 2.524 118 H THR 14 H THR 14 -2.011 -3.655 -2.099 119 HA THR 14 HA THR 14 -2.904 -0.951 -1.495 120 HB THR 14 HB THR 14 -5.196 -1.832 -2.268 121 HG1 THR 14 HG1 THR 14 -5.212 -3.951 -2.422 122 1HG2 THR 14 1HG2 THR 14 -3.395 -0.597 -3.676 123 2HG2 THR 14 2HG2 THR 14 -3.254 -2.156 -4.492 124 3HG2 THR 14 3HG2 THR 14 -4.809 -1.321 -4.445 125 H LEU 15 H LEU 15 -4.395 -0.252 -0.014 126 HA LEU 15 HA LEU 15 -5.184 -2.070 2.162 127 1HB LEU 15 1HB LEU 15 -3.676 0.218 2.409 128 2HB LEU 15 2HB LEU 15 -5.284 0.844 2.704 129 HG LEU 15 HG LEU 15 -5.007 -1.546 4.286 130 1HD1 LEU 15 1HD1 LEU 15 -2.683 0.340 4.624 131 2HD1 LEU 15 2HD1 LEU 15 -3.160 -0.898 5.787 132 3HD1 LEU 15 3HD1 LEU 15 -2.617 -1.364 4.174 133 1HD2 LEU 15 1HD2 LEU 15 -6.449 0.370 4.825 134 2HD2 LEU 15 2HD2 LEU 15 -5.400 -0.077 6.170 135 3HD2 LEU 15 3HD2 LEU 15 -5.016 1.334 5.185 136 H GLU 16 H GLU 16 -7.118 -2.809 1.783 137 HA GLU 16 HA GLU 16 -9.323 -1.070 0.863 138 1HB GLU 16 1HB GLU 16 -8.391 -3.730 -0.111 139 2HB GLU 16 2HB GLU 16 -10.126 -3.457 -0.082 140 1HG GLU 16 1HG GLU 16 -9.638 -1.324 -1.410 141 2HG GLU 16 2HG GLU 16 -8.024 -1.986 -1.656 142 H VAL 17 H VAL 17 -11.365 -1.311 1.720 143 HA VAL 17 HA VAL 17 -11.742 -3.096 4.046 144 HB VAL 17 HB VAL 17 -13.457 -1.376 4.941 145 1HG1 VAL 17 1HG1 VAL 17 -11.240 -1.943 5.920 146 2HG1 VAL 17 2HG1 VAL 17 -10.586 -0.519 5.112 147 3HG1 VAL 17 3HG1 VAL 17 -11.852 -0.340 6.326 148 1HG2 VAL 17 1HG2 VAL 17 -13.423 0.200 2.933 149 2HG2 VAL 17 2HG2 VAL 17 -13.230 0.968 4.511 150 3HG2 VAL 17 3HG2 VAL 17 -11.826 0.719 3.472 No H/Q in entry = 150 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -14.000 0.675 -1.416 2 H2 MET 1 H2 MET 1 -13.775 0.555 0.255 3 H3 MET 1 H3 MET 1 -14.883 1.670 -0.372 4 HA MET 1 HA MET 1 -13.111 2.903 -1.424 5 1HB MET 1 1HB MET 1 -13.838 2.875 1.228 6 2HB MET 1 2HB MET 1 -12.090 2.720 1.350 7 1HG MET 1 1HG MET 1 -11.712 4.819 0.466 8 2HG MET 1 2HG MET 1 -13.271 4.871 -0.358 9 1HE MET 1 1HE MET 1 -15.537 5.103 0.849 10 2HE MET 1 2HE MET 1 -15.678 6.364 2.075 11 3HE MET 1 3HE MET 1 -14.937 6.729 0.516 12 H GLN 2 H GLN 2 -10.999 3.219 -2.019 13 HA GLN 2 HA GLN 2 -8.942 1.226 -1.372 14 1HB GLN 2 1HB GLN 2 -10.080 1.730 -4.009 15 2HB GLN 2 2HB GLN 2 -8.357 2.067 -3.999 16 1HG GLN 2 1HG GLN 2 -7.813 -0.144 -3.416 17 2HG GLN 2 2HG GLN 2 -9.476 -0.519 -2.967 18 2HE2 GLN 2 2HE2 GLN 2 -7.210 -0.151 -5.629 19 1HE2 GLN 2 1HE2 GLN 2 -8.239 -0.833 -6.838 20 H ILE 3 H ILE 3 -7.087 1.998 -0.701 21 HA ILE 3 HA ILE 3 -6.003 4.580 -1.428 22 HB ILE 3 HB ILE 3 -5.464 5.191 1.047 23 1HG1 ILE 3 1HG1 ILE 3 -8.072 4.376 2.129 24 2HG1 ILE 3 2HG1 ILE 3 -7.153 2.954 1.668 25 1HG2 ILE 3 1HG2 ILE 3 -6.860 6.467 -0.556 26 2HG2 ILE 3 2HG2 ILE 3 -8.287 5.658 0.095 27 3HG2 ILE 3 3HG2 ILE 3 -7.317 6.706 1.130 28 1HD1 ILE 3 1HD1 ILE 3 -5.801 5.022 3.320 29 2HD1 ILE 3 2HD1 ILE 3 -7.007 3.980 4.077 30 3HD1 ILE 3 3HD1 ILE 3 -5.591 3.270 3.299 31 H PHE 4 H PHE 4 -4.006 4.403 -1.918 32 HA PHE 4 HA PHE 4 -2.451 2.009 -1.392 33 1HB PHE 4 1HB PHE 4 -2.376 4.265 -3.311 34 2HB PHE 4 2HB PHE 4 -0.808 3.617 -2.885 35 HD1 PHE 4 HD1 PHE 4 -4.225 2.683 -4.522 36 HD2 PHE 4 HD2 PHE 4 0.097 1.561 -3.891 37 HE1 PHE 4 HE1 PHE 4 -4.406 0.918 -6.400 38 HE2 PHE 4 HE2 PHE 4 -0.100 -0.210 -5.772 39 HZ PHE 4 HZ PHE 4 -2.345 -0.529 -7.036 40 H VAL 5 H VAL 5 -0.513 1.775 -0.374 41 HA VAL 5 HA VAL 5 0.831 3.986 0.978 42 HB VAL 5 HB VAL 5 1.137 2.546 3.127 43 1HG1 VAL 5 1HG1 VAL 5 0.005 4.664 3.111 44 2HG1 VAL 5 2HG1 VAL 5 -1.496 3.895 2.598 45 3HG1 VAL 5 3HG1 VAL 5 -0.825 3.543 4.190 46 1HG2 VAL 5 1HG2 VAL 5 -0.092 0.470 2.274 47 2HG2 VAL 5 2HG2 VAL 5 -0.555 1.045 3.878 48 3HG2 VAL 5 3HG2 VAL 5 -1.586 1.382 2.488 49 H LYS 6 H LYS 6 2.972 3.932 0.899 50 HA LYS 6 HA LYS 6 4.391 1.459 0.128 51 1HB LYS 6 1HB LYS 6 4.023 3.682 -1.492 52 2HB LYS 6 2HB LYS 6 5.633 3.943 -0.838 53 1HG LYS 6 1HG LYS 6 6.487 2.004 -1.824 54 2HG LYS 6 2HG LYS 6 4.885 1.312 -2.073 55 1HD LYS 6 1HD LYS 6 4.429 2.744 -3.886 56 2HD LYS 6 2HD LYS 6 5.746 3.839 -3.467 57 1HE LYS 6 1HE LYS 6 6.426 1.012 -4.169 58 2HE LYS 6 2HE LYS 6 5.942 2.107 -5.462 59 1HZ LYS 6 1HZ LYS 6 7.689 3.655 -4.663 60 2HZ LYS 6 2HZ LYS 6 8.214 2.460 -3.587 61 3HZ LYS 6 3HZ LYS 6 8.295 2.192 -5.254 62 H THR 7 H THR 7 6.382 1.027 0.941 63 HA THR 7 HA THR 7 7.273 2.364 3.399 64 HB THR 7 HB THR 7 8.921 0.342 3.426 65 HG1 THR 7 HG1 THR 7 8.765 -0.855 1.698 66 1HG2 THR 7 1HG2 THR 7 6.961 0.623 4.940 67 2HG2 THR 7 2HG2 THR 7 5.984 -0.266 3.771 68 3HG2 THR 7 3HG2 THR 7 7.338 -1.062 4.574 69 H LEU 8 H LEU 8 8.374 1.805 0.089 70 HA LEU 8 HA LEU 8 10.031 2.310 -1.260 71 1HB LEU 8 1HB LEU 8 10.986 4.566 -1.296 72 2HB LEU 8 2HB LEU 8 9.261 4.585 -1.052 73 HG LEU 8 HG LEU 8 10.793 4.783 1.479 74 1HD1 LEU 8 1HD1 LEU 8 12.283 6.034 -0.104 75 2HD1 LEU 8 2HD1 LEU 8 10.947 7.155 -0.366 76 3HD1 LEU 8 3HD1 LEU 8 11.649 6.980 1.243 77 1HD2 LEU 8 1HD2 LEU 8 8.372 5.169 1.355 78 2HD2 LEU 8 2HD2 LEU 8 9.229 6.589 1.958 79 3HD2 LEU 8 3HD2 LEU 8 8.648 6.549 0.293 80 H ASP 9 H ASP 9 10.745 0.304 -0.082 81 HA ASP 9 HA ASP 9 13.647 0.334 0.315 82 1HB ASP 9 1HB ASP 9 11.975 -0.020 2.515 83 2HB ASP 9 2HB ASP 9 12.365 -1.670 2.045 84 H GLY 10 H GLY 10 10.662 -1.589 -0.272 85 1HA GLY 10 2HA GLY 10 11.985 -3.885 -1.489 86 2HA GLY 10 1HA GLY 10 11.111 -2.851 -2.605 87 H LYS 11 H LYS 11 8.922 -2.128 -0.827 88 HA LYS 11 HA LYS 11 7.227 -4.532 -0.916 89 1HB LYS 11 1HB LYS 11 7.836 -2.941 1.570 90 2HB LYS 11 2HB LYS 11 6.256 -3.682 1.392 91 1HG LYS 11 1HG LYS 11 7.018 -5.757 1.821 92 2HG LYS 11 2HG LYS 11 8.485 -5.535 0.877 93 1HD LYS 11 1HD LYS 11 9.659 -5.375 2.774 94 2HD LYS 11 2HD LYS 11 8.806 -3.890 3.172 95 1HE LYS 11 1HE LYS 11 7.539 -6.522 3.820 96 2HE LYS 11 2HE LYS 11 8.847 -5.920 4.833 97 1HZ LYS 11 1HZ LYS 11 7.569 -3.878 5.172 98 2HZ LYS 11 2HZ LYS 11 6.300 -4.510 4.247 99 3HZ LYS 11 3HZ LYS 11 6.722 -5.240 5.713 100 H THR 12 H THR 12 5.020 -4.193 -1.219 101 HA THR 12 HA THR 12 3.838 -1.518 -1.299 102 HB THR 12 HB THR 12 2.653 -2.140 -3.530 103 HG1 THR 12 HG1 THR 12 4.982 -3.773 -3.746 104 1HG2 THR 12 1HG2 THR 12 4.459 -0.345 -3.114 105 2HG2 THR 12 2HG2 THR 12 5.556 -1.474 -3.910 106 3HG2 THR 12 3HG2 THR 12 4.152 -0.852 -4.776 107 H ILE 13 H ILE 13 1.913 -1.460 -0.367 108 HA ILE 13 HA ILE 13 0.146 -3.793 -0.237 109 HB ILE 13 HB ILE 13 1.629 -3.834 1.790 110 1HG1 ILE 13 2HG1 ILE 13 -0.801 -3.631 3.351 111 2HG1 ILE 13 1HG1 ILE 13 -1.203 -4.256 1.761 112 1HG2 ILE 13 1HG2 ILE 13 1.979 -1.526 2.361 113 2HG2 ILE 13 2HG2 ILE 13 0.278 -1.331 2.797 114 3HG2 ILE 13 3HG2 ILE 13 1.318 -2.396 3.746 115 1HD1 ILE 13 1HD1 ILE 13 0.909 -5.422 3.560 116 2HD1 ILE 13 2HD1 ILE 13 -0.751 -6.007 3.445 117 3HD1 ILE 13 3HD1 ILE 13 0.316 -6.098 2.043 118 H THR 14 H THR 14 -1.997 -3.430 -0.398 119 HA THR 14 HA THR 14 -3.056 -0.678 -0.684 120 HB THR 14 HB THR 14 -4.990 -1.865 -1.943 121 HG1 THR 14 HG1 THR 14 -2.976 -3.877 -2.154 122 1HG2 THR 14 1HG2 THR 14 -3.025 -0.470 -2.910 123 2HG2 THR 14 2HG2 THR 14 -2.486 -2.029 -3.537 124 3HG2 THR 14 3HG2 THR 14 -4.079 -1.404 -3.972 125 H LEU 15 H LEU 15 -5.034 -0.056 0.194 126 HA LEU 15 HA LEU 15 -6.132 -1.717 2.363 127 1HB LEU 15 1HB LEU 15 -5.622 1.177 2.088 128 2HB LEU 15 2HB LEU 15 -7.219 0.817 2.706 129 HG LEU 15 HG LEU 15 -5.307 -0.799 4.162 130 1HD1 LEU 15 1HD1 LEU 15 -4.625 2.135 4.128 131 2HD1 LEU 15 2HD1 LEU 15 -4.025 0.961 5.300 132 3HD1 LEU 15 3HD1 LEU 15 -3.598 0.804 3.595 133 1HD2 LEU 15 1HD2 LEU 15 -7.031 1.520 5.028 134 2HD2 LEU 15 2HD2 LEU 15 -7.462 -0.189 5.065 135 3HD2 LEU 15 3HD2 LEU 15 -6.184 0.421 6.118 136 H GLU 16 H GLU 16 -7.675 -2.960 1.633 137 HA GLU 16 HA GLU 16 -9.809 -1.943 -0.143 138 1HB GLU 16 1HB GLU 16 -8.116 -4.390 -0.328 139 2HB GLU 16 2HB GLU 16 -9.800 -4.555 -0.796 140 1HG GLU 16 1HG GLU 16 -9.450 -2.636 -2.381 141 2HG GLU 16 2HG GLU 16 -7.733 -2.712 -1.997 142 H VAL 17 H VAL 17 -11.919 -2.561 0.181 143 HA VAL 17 HA VAL 17 -12.626 -3.698 2.779 144 HB VAL 17 HB VAL 17 -13.439 -1.398 2.123 145 1HG1 VAL 17 1HG1 VAL 17 -14.085 -1.647 -0.206 146 2HG1 VAL 17 2HG1 VAL 17 -15.424 -2.697 0.263 147 3HG1 VAL 17 3HG1 VAL 17 -15.413 -1.006 0.761 148 1HG2 VAL 17 1HG2 VAL 17 -14.515 -2.831 3.903 149 2HG2 VAL 17 2HG2 VAL 17 -15.454 -1.469 3.297 150 3HG2 VAL 17 3HG2 VAL 17 -15.822 -3.105 2.750 No H/Q in entry = 150 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -14.039 -0.121 -1.610 2 H2 MET 1 H2 MET 1 -13.829 -0.217 0.066 3 H3 MET 1 H3 MET 1 -15.006 0.811 -0.580 4 HA MET 1 HA MET 1 -13.322 2.175 -1.608 5 1HB MET 1 1HB MET 1 -14.041 2.070 1.054 6 2HB MET 1 2HB MET 1 -12.288 2.056 1.162 7 1HG MET 1 1HG MET 1 -12.614 4.291 1.235 8 2HG MET 1 2HG MET 1 -12.554 4.107 -0.516 9 1HE MET 1 1HE MET 1 -14.751 4.377 2.620 10 2HE MET 1 2HE MET 1 -14.421 6.032 2.104 11 3HE MET 1 3HE MET 1 -16.070 5.407 2.062 12 H GLN 2 H GLN 2 -11.229 2.657 -2.176 13 HA GLN 2 HA GLN 2 -9.045 0.793 -1.548 14 1HB GLN 2 1HB GLN 2 -10.197 0.718 -4.003 15 2HB GLN 2 2HB GLN 2 -9.017 1.986 -4.285 16 1HG GLN 2 1HG GLN 2 -7.278 0.350 -3.376 17 2HG GLN 2 2HG GLN 2 -8.524 -0.885 -3.530 18 2HE2 GLN 2 2HE2 GLN 2 -9.029 -1.697 -5.571 19 1HE2 GLN 2 1HE2 GLN 2 -8.152 -1.256 -6.990 20 H ILE 3 H ILE 3 -7.243 1.663 -0.862 21 HA ILE 3 HA ILE 3 -6.352 4.360 -1.435 22 HB ILE 3 HB ILE 3 -5.806 4.787 1.090 23 1HG2 ILE 3 1HG2 ILE 3 -8.574 5.199 -0.027 24 2HG2 ILE 3 2HG2 ILE 3 -7.914 6.058 1.365 25 3HG2 ILE 3 3HG2 ILE 3 -7.169 6.247 -0.223 26 1HD1 ILE 3 1HD1 ILE 3 -6.023 4.317 3.306 27 2HD1 ILE 3 2HD1 ILE 3 -7.209 3.208 3.995 28 3HD1 ILE 3 3HD1 ILE 3 -5.827 2.576 3.099 29 H PHE 4 H PHE 4 -4.336 4.353 -1.950 30 HA PHE 4 HA PHE 4 -2.634 2.022 -1.558 31 1HB PHE 4 1HB PHE 4 -2.790 4.285 -3.450 32 2HB PHE 4 2HB PHE 4 -1.159 3.774 -3.080 33 HD1 PHE 4 HD1 PHE 4 -4.518 2.625 -4.655 34 HD2 PHE 4 HD2 PHE 4 -0.132 1.742 -4.083 35 HE1 PHE 4 HE1 PHE 4 -4.636 0.829 -6.511 36 HE2 PHE 4 HE2 PHE 4 -0.259 -0.044 -5.956 37 HZ PHE 4 HZ PHE 4 -2.505 -0.501 -7.172 38 H VAL 5 H VAL 5 -0.647 1.886 -0.626 39 HA VAL 5 HA VAL 5 0.670 4.132 0.677 40 HB VAL 5 HB VAL 5 1.064 2.766 2.852 41 1HG1 VAL 5 1HG1 VAL 5 -0.252 4.872 2.595 42 2HG1 VAL 5 2HG1 VAL 5 -1.707 3.876 2.545 43 3HG1 VAL 5 3HG1 VAL 5 -0.681 3.869 3.981 44 1HG2 VAL 5 1HG2 VAL 5 -0.009 0.610 2.292 45 2HG2 VAL 5 2HG2 VAL 5 -0.773 1.353 3.697 46 3HG2 VAL 5 3HG2 VAL 5 -1.566 1.420 2.122 47 H LYS 6 H LYS 6 2.828 4.081 0.616 48 HA LYS 6 HA LYS 6 4.227 1.638 -0.283 49 1HB LYS 6 1HB LYS 6 3.931 3.925 -1.745 50 2HB LYS 6 2HB LYS 6 5.457 4.255 -0.944 51 1HG LYS 6 1HG LYS 6 6.495 2.367 -1.934 52 2HG LYS 6 2HG LYS 6 4.954 1.722 -2.496 53 1HD LYS 6 1HD LYS 6 4.841 3.135 -4.289 54 2HD LYS 6 2HD LYS 6 5.714 4.437 -3.478 55 1HE LYS 6 1HE LYS 6 7.813 3.321 -3.823 56 2HE LYS 6 2HE LYS 6 7.000 1.888 -4.454 57 1HZ LYS 6 1HZ LYS 6 6.171 3.272 -6.299 58 2HZ LYS 6 2HZ LYS 6 7.081 4.574 -5.716 59 3HZ LYS 6 3HZ LYS 6 7.860 3.176 -6.264 60 H THR 7 H THR 7 6.227 1.104 0.503 61 HA THR 7 HA THR 7 7.240 2.432 2.952 62 HB THR 7 HB THR 7 8.368 0.120 3.363 63 HG1 THR 7 HG1 THR 7 7.877 -0.915 1.445 64 1HG2 THR 7 1HG2 THR 7 5.475 0.755 3.798 65 2HG2 THR 7 2HG2 THR 7 6.119 -0.808 4.301 66 3HG2 THR 7 3HG2 THR 7 6.795 0.681 4.966 67 H LEU 8 H LEU 8 9.436 2.780 3.270 68 HA LEU 8 HA LEU 8 11.094 3.435 1.046 69 1HB LEU 8 1HB LEU 8 11.018 3.966 3.830 70 2HB LEU 8 2HB LEU 8 12.605 3.305 3.505 71 HG LEU 8 HG LEU 8 12.190 5.244 1.470 72 1HD1 LEU 8 1HD1 LEU 8 11.294 6.313 4.142 73 2HD1 LEU 8 2HD1 LEU 8 11.803 7.321 2.789 74 3HD1 LEU 8 3HD1 LEU 8 10.383 6.288 2.632 75 1HD2 LEU 8 1HD2 LEU 8 13.831 5.395 3.996 76 2HD2 LEU 8 2HD2 LEU 8 14.348 4.786 2.422 77 3HD2 LEU 8 3HD2 LEU 8 13.982 6.499 2.628 78 H ASP 9 H ASP 9 10.772 0.398 2.676 79 HA ASP 9 HA ASP 9 13.373 -0.778 2.350 80 1HB ASP 9 1HB ASP 9 11.096 -1.472 3.749 81 2HB ASP 9 2HB ASP 9 11.145 -2.688 2.479 82 H GLY 10 H GLY 10 10.435 -0.772 0.307 83 1HA GLY 10 2HA GLY 10 11.888 -2.068 -1.936 84 2HA GLY 10 1HA GLY 10 10.672 -0.820 -2.128 85 H LYS 11 H LYS 11 8.544 -1.634 -0.645 86 HA LYS 11 HA LYS 11 7.491 -3.919 -2.116 87 1HB LYS 11 1HB LYS 11 6.363 -4.914 -0.041 88 2HB LYS 11 2HB LYS 11 8.070 -5.226 -0.233 89 1HG LYS 11 1HG LYS 11 8.188 -3.110 1.462 90 2HG LYS 11 2HG LYS 11 6.604 -3.745 1.902 91 1HD LYS 11 1HD LYS 11 7.821 -6.021 2.091 92 2HD LYS 11 2HD LYS 11 9.300 -5.060 2.111 93 1HE LYS 11 1HE LYS 11 8.621 -3.919 4.093 94 2HE LYS 11 2HE LYS 11 7.002 -4.611 4.005 95 1HZ LYS 11 1HZ LYS 11 9.476 -6.204 4.404 96 2HZ LYS 11 2HZ LYS 11 8.462 -5.693 5.659 97 3HZ LYS 11 3HZ LYS 11 7.882 -6.766 4.487 98 H THR 12 H THR 12 5.435 -3.737 -2.790 99 HA THR 12 HA THR 12 3.780 -1.459 -1.860 100 HB THR 12 HB THR 12 2.693 -1.598 -4.212 101 HG1 THR 12 HG1 THR 12 3.859 -2.523 -5.818 102 1HG2 THR 12 1HG2 THR 12 4.226 0.235 -3.321 103 2HG2 THR 12 2HG2 THR 12 5.514 -0.551 -4.236 104 3HG2 THR 12 3HG2 THR 12 4.098 0.085 -5.074 105 H ILE 13 H ILE 13 1.753 -1.765 -1.203 106 HA ILE 13 HA ILE 13 0.119 -4.083 -1.827 107 HB ILE 13 HB ILE 13 -0.490 -4.512 0.647 108 1HG1 ILE 13 1HG1 ILE 13 2.200 -4.219 1.768 109 2HG1 ILE 13 2HG1 ILE 13 1.633 -2.647 1.228 110 1HG2 ILE 13 1HG2 ILE 13 2.088 -5.527 -0.519 111 2HG2 ILE 13 2HG2 ILE 13 1.274 -6.246 0.873 112 3HG2 ILE 13 3HG2 ILE 13 0.469 -6.207 -0.698 113 1HD1 ILE 13 1HD1 ILE 13 0.112 -4.454 3.094 114 2HD1 ILE 13 2HD1 ILE 13 1.155 -3.125 3.605 115 3HD1 ILE 13 3HD1 ILE 13 -0.296 -2.794 2.657 116 H THR 14 H THR 14 -2.062 -3.784 -1.724 117 HA THR 14 HA THR 14 -3.079 -1.061 -1.406 118 HB THR 14 HB THR 14 -5.301 -2.065 -2.194 119 HG1 THR 14 HG1 THR 14 -5.334 -4.179 -2.268 120 1HG2 THR 14 1HG2 THR 14 -3.500 -0.928 -3.656 121 2HG2 THR 14 2HG2 THR 14 -3.239 -2.554 -4.289 122 3HG2 THR 14 3HG2 THR 14 -4.832 -1.801 -4.416 123 H LEU 15 H LEU 15 -4.634 -0.328 -0.006 124 HA LEU 15 HA LEU 15 -5.423 -2.037 2.259 125 1HB LEU 15 1HB LEU 15 -3.977 0.329 2.378 126 2HB LEU 15 2HB LEU 15 -5.608 0.879 2.696 127 HG LEU 15 HG LEU 15 -5.092 -1.462 4.330 128 1HD1 LEU 15 1HD1 LEU 15 -3.031 0.715 4.637 129 2HD1 LEU 15 2HD1 LEU 15 -3.326 -0.587 5.790 130 3HD1 LEU 15 3HD1 LEU 15 -2.735 -0.960 4.170 131 1HD2 LEU 15 1HD2 LEU 15 -6.724 0.429 4.729 132 2HD2 LEU 15 2HD2 LEU 15 -5.799 -0.110 6.130 133 3HD2 LEU 15 3HD2 LEU 15 -5.347 1.377 5.296 134 H GLU 16 H GLU 16 -7.326 -2.837 1.824 135 HA GLU 16 HA GLU 16 -9.525 -1.176 0.763 136 1HB GLU 16 1HB GLU 16 -8.537 -3.878 -0.005 137 2HB GLU 16 2HB GLU 16 -10.278 -3.641 -0.024 138 1HG GLU 16 1HG GLU 16 -9.642 -1.503 -1.430 139 2HG GLU 16 2HG GLU 16 -8.166 -2.413 -1.741 140 H VAL 17 H VAL 17 -11.584 -1.363 1.580 141 HA VAL 17 HA VAL 17 -12.169 -3.177 3.817 142 HB VAL 17 HB VAL 17 -13.484 -1.292 5.008 143 1HG1 VAL 17 1HG1 VAL 17 -11.551 -2.375 5.957 144 2HG1 VAL 17 2HG1 VAL 17 -10.480 -1.257 5.111 145 3HG1 VAL 17 3HG1 VAL 17 -11.566 -0.659 6.365 146 1HG2 VAL 17 1HG2 VAL 17 -13.127 0.505 3.209 147 2HG2 VAL 17 2HG2 VAL 17 -12.822 0.992 4.878 148 3HG2 VAL 17 3HG2 VAL 17 -11.472 0.630 3.804 No H/Q in entry = 148 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -14.102 0.882 -1.176 2 H2 MET 1 H2 MET 1 -13.942 0.854 0.507 3 H3 MET 1 H3 MET 1 -15.000 1.953 -0.224 4 HA MET 1 HA MET 1 -13.193 3.124 -1.241 5 1HB MET 1 1HB MET 1 -13.906 3.145 1.424 6 2HB MET 1 2HB MET 1 -12.162 2.961 1.528 7 1HG MET 1 2HG MET 1 -12.270 5.218 1.558 8 2HG MET 1 1HG MET 1 -12.233 4.994 -0.189 9 1HE MET 1 1HE MET 1 -14.360 5.560 2.942 10 2HE MET 1 2HE MET 1 -13.887 7.163 2.372 11 3HE MET 1 3HE MET 1 -15.587 6.691 2.363 12 H GLN 2 H GLN 2 -11.060 3.394 -1.819 13 HA GLN 2 HA GLN 2 -9.072 1.343 -1.150 14 1HB GLN 2 1HB GLN 2 -10.230 1.533 -3.687 15 2HB GLN 2 2HB GLN 2 -8.708 2.390 -3.864 16 1HG GLN 2 1HG GLN 2 -7.470 0.454 -3.170 17 2HG GLN 2 2HG GLN 2 -8.957 -0.412 -2.797 18 2HE2 GLN 2 2HE2 GLN 2 -6.827 0.701 -5.366 19 1HE2 GLN 2 1HE2 GLN 2 -7.564 -0.224 -6.625 20 H ILE 3 H ILE 3 -7.214 2.059 -0.437 21 HA ILE 3 HA ILE 3 -6.107 4.665 -1.091 22 HB ILE 3 HB ILE 3 -5.514 5.109 1.409 23 1HG1 ILE 3 1HG1 ILE 3 -8.107 4.260 2.488 24 2HG1 ILE 3 2HG1 ILE 3 -7.230 2.855 1.906 25 1HG2 ILE 3 1HG2 ILE 3 -6.923 6.500 -0.084 26 2HG2 ILE 3 2HG2 ILE 3 -8.346 5.663 0.537 27 3HG2 ILE 3 3HG2 ILE 3 -7.349 6.632 1.622 28 1HD1 ILE 3 1HD1 ILE 3 -5.776 4.763 3.653 29 2HD1 ILE 3 2HD1 ILE 3 -7.010 3.732 4.378 30 3HD1 ILE 3 3HD1 ILE 3 -5.645 3.008 3.527 31 H PHE 4 H PHE 4 -4.096 4.568 -1.574 32 HA PHE 4 HA PHE 4 -2.536 2.141 -1.240 33 1HB PHE 4 1HB PHE 4 -2.551 4.460 -3.051 34 2HB PHE 4 2HB PHE 4 -0.937 3.943 -2.621 35 HD1 PHE 4 HD1 PHE 4 -4.197 2.870 -4.415 36 HD2 PHE 4 HD2 PHE 4 0.133 1.909 -3.604 37 HE1 PHE 4 HE1 PHE 4 -4.213 1.157 -6.349 38 HE2 PHE 4 HE2 PHE 4 0.114 0.208 -5.556 39 HZ PHE 4 HZ PHE 4 -2.055 -0.170 -6.934 40 H VAL 5 H VAL 5 -0.585 1.850 -0.278 41 HA VAL 5 HA VAL 5 0.802 3.958 1.169 42 HB VAL 5 HB VAL 5 1.147 2.396 3.232 43 1HG1 VAL 5 1HG1 VAL 5 -0.025 4.565 3.218 44 2HG1 VAL 5 2HG1 VAL 5 -1.544 3.706 2.960 45 3HG1 VAL 5 3HG1 VAL 5 -0.621 3.441 4.439 46 1HG2 VAL 5 1HG2 VAL 5 -0.144 0.394 2.299 47 2HG2 VAL 5 2HG2 VAL 5 -0.547 0.885 3.947 48 3HG2 VAL 5 3HG2 VAL 5 -1.614 1.318 2.610 49 H LYS 6 H LYS 6 2.849 3.955 0.669 50 HA LYS 6 HA LYS 6 4.271 1.481 -0.113 51 1HB LYS 6 1HB LYS 6 3.553 3.663 -1.787 52 2HB LYS 6 2HB LYS 6 5.287 3.793 -1.540 53 1HG LYS 6 1HG LYS 6 5.032 1.133 -2.127 54 2HG LYS 6 2HG LYS 6 3.718 1.817 -3.078 55 1HD LYS 6 1HD LYS 6 6.204 3.335 -3.406 56 2HD LYS 6 2HD LYS 6 6.426 1.630 -3.772 57 1HE LYS 6 2HE LYS 6 5.848 2.457 -5.835 58 2HE LYS 6 1HE LYS 6 4.273 1.949 -5.227 59 1HZ LYS 6 1HZ LYS 6 5.314 4.723 -5.024 60 2HZ LYS 6 2HZ LYS 6 4.296 4.186 -6.263 61 3HZ LYS 6 3HZ LYS 6 3.749 4.194 -4.662 62 H THR 7 H THR 7 6.456 1.287 0.295 63 HA THR 7 HA THR 7 7.859 3.351 1.832 64 HB THR 7 HB THR 7 7.230 1.813 3.572 65 HG1 THR 7 HG1 THR 7 9.976 1.498 2.964 66 1HG2 THR 7 1HG2 THR 7 7.980 -0.393 1.773 67 2HG2 THR 7 2HG2 THR 7 8.558 -0.575 3.429 68 3HG2 THR 7 3HG2 THR 7 6.835 -0.363 3.114 69 H LEU 8 H LEU 8 10.059 3.563 1.589 70 HA LEU 8 HA LEU 8 11.130 3.007 -1.026 71 1HB LEU 8 1HB LEU 8 11.669 4.817 1.176 72 2HB LEU 8 2HB LEU 8 13.170 4.149 0.571 73 HG LEU 8 HG LEU 8 11.782 4.920 -1.762 74 1HD1 LEU 8 1HD1 LEU 8 11.442 7.058 0.342 75 2HD1 LEU 8 2HD1 LEU 8 11.288 7.325 -1.395 76 3HD1 LEU 8 3HD1 LEU 8 10.169 6.239 -0.567 77 1HD2 LEU 8 1HD2 LEU 8 14.216 5.114 -1.299 78 2HD2 LEU 8 2HD2 LEU 8 13.516 6.538 -2.070 79 3HD2 LEU 8 3HD2 LEU 8 13.877 6.557 -0.344 80 H ASP 9 H ASP 9 11.203 1.078 1.754 81 HA ASP 9 HA ASP 9 13.804 -0.151 1.702 82 1HB ASP 9 1HB ASP 9 11.714 -0.134 3.500 83 2HB ASP 9 2HB ASP 9 11.654 -1.777 2.878 84 H GLY 10 H GLY 10 10.677 -0.975 0.172 85 1HA GLY 10 2HA GLY 10 11.862 -3.288 -1.272 86 2HA GLY 10 1HA GLY 10 10.868 -2.086 -2.074 87 H LYS 11 H LYS 11 8.698 -1.719 -0.528 88 HA LYS 11 HA LYS 11 7.216 -4.265 -0.621 89 1HB LYS 11 1HB LYS 11 7.330 -2.450 1.799 90 2HB LYS 11 2HB LYS 11 5.989 -3.535 1.533 91 1HG LYS 11 1HG LYS 11 7.095 -5.263 2.420 92 2HG LYS 11 2HG LYS 11 8.481 -5.001 1.371 93 1HD LYS 11 1HD LYS 11 9.648 -4.454 3.213 94 2HD LYS 11 2HD LYS 11 8.726 -2.960 3.273 95 1HE LYS 11 1HE LYS 11 7.660 -5.449 4.580 96 2HE LYS 11 2HE LYS 11 8.888 -4.476 5.387 97 1HZ LYS 11 1HZ LYS 11 7.406 -2.561 5.227 98 2HZ LYS 11 2HZ LYS 11 6.223 -3.517 4.486 99 3HZ LYS 11 3HZ LYS 11 6.681 -3.824 6.085 100 H THR 12 H THR 12 5.018 -4.115 -1.125 101 HA THR 12 HA THR 12 3.702 -1.518 -1.474 102 HB THR 12 HB THR 12 2.706 -2.350 -3.710 103 HG1 THR 12 HG1 THR 12 3.421 -4.225 -4.348 104 1HG2 THR 12 1HG2 THR 12 4.498 -0.515 -3.335 105 2HG2 THR 12 2HG2 THR 12 5.616 -1.703 -4.008 106 3HG2 THR 12 3HG2 THR 12 4.244 -1.144 -4.965 107 H ILE 13 H ILE 13 1.812 -1.505 -0.496 108 HA ILE 13 HA ILE 13 0.057 -3.842 -0.361 109 HB ILE 13 HB ILE 13 1.561 -3.921 1.658 110 1HG1 ILE 13 1HG1 ILE 13 -0.859 -3.764 3.235 111 2HG1 ILE 13 2HG1 ILE 13 -1.269 -4.352 1.633 112 1HG2 ILE 13 1HG2 ILE 13 0.227 -1.417 2.675 113 2HG2 ILE 13 2HG2 ILE 13 1.193 -2.517 3.658 114 3HG2 ILE 13 3HG2 ILE 13 1.937 -1.662 2.307 115 1HD1 ILE 13 1HD1 ILE 13 0.866 -5.554 3.381 116 2HD1 ILE 13 2HD1 ILE 13 -0.796 -6.137 3.283 117 3HD1 ILE 13 3HD1 ILE 13 0.247 -6.199 1.860 118 H THR 14 H THR 14 -2.069 -3.450 -0.568 119 HA THR 14 HA THR 14 -3.116 -0.681 -0.728 120 HB THR 14 HB THR 14 -5.029 -1.756 -2.093 121 HG1 THR 14 HG1 THR 14 -4.877 -3.849 -2.319 122 1HG2 THR 14 1HG2 THR 14 -2.254 -1.358 -3.116 123 2HG2 THR 14 2HG2 THR 14 -3.541 -1.898 -4.195 124 3HG2 THR 14 3HG2 THR 14 -3.698 -0.367 -3.336 125 H LEU 15 H LEU 15 -5.084 -0.092 0.191 126 HA LEU 15 HA LEU 15 -6.190 -1.874 2.258 127 1HB LEU 15 1HB LEU 15 -5.382 0.806 2.415 128 2HB LEU 15 2HB LEU 15 -7.127 0.907 2.342 129 HG LEU 15 HG LEU 15 -6.498 -1.126 4.272 130 1HD1 LEU 15 1HD1 LEU 15 -4.269 -0.158 4.467 131 2HD1 LEU 15 2HD1 LEU 15 -4.978 1.422 4.802 132 3HD1 LEU 15 3HD1 LEU 15 -5.212 0.092 5.936 133 1HD2 LEU 15 1HD2 LEU 15 -7.557 1.675 4.646 134 2HD2 LEU 15 2HD2 LEU 15 -8.508 0.218 4.354 135 3HD2 LEU 15 3HD2 LEU 15 -7.605 0.395 5.858 136 H GLU 16 H GLU 16 -7.656 -3.131 1.389 137 HA GLU 16 HA GLU 16 -9.842 -2.057 -0.284 138 1HB GLU 16 1HB GLU 16 -8.055 -4.409 -0.685 139 2HB GLU 16 2HB GLU 16 -9.737 -4.606 -1.149 140 1HG GLU 16 1HG GLU 16 -9.399 -2.423 -2.487 141 2HG GLU 16 2HG GLU 16 -7.678 -2.728 -2.271 142 H VAL 17 H VAL 17 -11.925 -2.789 0.007 143 HA VAL 17 HA VAL 17 -12.592 -4.053 2.553 144 HB VAL 17 HB VAL 17 -15.047 -3.518 1.940 145 1HG1 VAL 17 1HG1 VAL 17 -13.769 -2.341 3.634 146 2HG1 VAL 17 2HG1 VAL 17 -13.174 -1.215 2.414 147 3HG1 VAL 17 3HG1 VAL 17 -14.893 -1.265 2.804 148 1HG2 VAL 17 1HG2 VAL 17 -14.631 -2.923 -0.519 149 2HG2 VAL 17 2HG2 VAL 17 -15.620 -1.788 0.401 150 3HG2 VAL 17 3HG2 VAL 17 -13.931 -1.414 0.064 No H/Q in entry = 150 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -13.894 1.229 -3.196 2 H2 MET 1 H2 MET 1 -14.254 1.058 -1.552 3 H3 MET 1 H3 MET 1 -14.874 2.370 -2.420 4 HA MET 1 HA MET 1 -12.715 3.302 -2.720 5 1HB MET 1 1HB MET 1 -14.144 3.169 -0.356 6 2HB MET 1 2HB MET 1 -12.528 2.719 0.166 7 1HG MET 1 2HG MET 1 -12.373 4.953 0.466 8 2HG MET 1 1HG MET 1 -11.888 4.894 -1.226 9 1HE MET 1 1HE MET 1 -14.751 5.449 1.285 10 2HE MET 1 2HE MET 1 -13.911 6.991 1.113 11 3HE MET 1 3HE MET 1 -15.584 6.834 0.576 12 H GLN 2 H GLN 2 -10.473 3.280 -2.602 13 HA GLN 2 HA GLN 2 -9.026 0.880 -1.731 14 1HB GLN 2 1HB GLN 2 -9.099 2.006 -4.499 15 2HB GLN 2 2HB GLN 2 -7.521 1.521 -3.896 16 1HG GLN 2 1HG GLN 2 -8.089 -0.710 -3.801 17 2HG GLN 2 2HG GLN 2 -9.815 -0.377 -3.679 18 2HE2 GLN 2 2HE2 GLN 2 -7.090 -0.754 -5.871 19 1HE2 GLN 2 1HE2 GLN 2 -8.030 -0.810 -7.319 20 H ILE 3 H ILE 3 -7.304 1.279 -0.520 21 HA ILE 3 HA ILE 3 -6.099 3.946 -0.471 22 HB ILE 3 HB ILE 3 -7.778 3.549 1.384 23 1HG1 ILE 3 1HG1 ILE 3 -5.622 4.333 3.111 24 2HG1 ILE 3 2HG1 ILE 3 -5.254 4.903 1.493 25 1HG2 ILE 3 1HG2 ILE 3 -6.767 1.174 1.995 26 2HG2 ILE 3 2HG2 ILE 3 -5.891 2.146 3.177 27 3HG2 ILE 3 3HG2 ILE 3 -7.655 2.170 3.150 28 1HD1 ILE 3 1HD1 ILE 3 -7.809 5.707 1.670 29 2HD1 ILE 3 2HD1 ILE 3 -7.353 5.761 3.374 30 3HD1 ILE 3 3HD1 ILE 3 -6.436 6.687 2.185 31 H PHE 4 H PHE 4 -4.072 3.977 -1.044 32 HA PHE 4 HA PHE 4 -2.344 1.596 -0.866 33 1HB PHE 4 1HB PHE 4 -2.774 3.683 -2.916 34 2HB PHE 4 2HB PHE 4 -1.089 3.289 -2.645 35 HD1 PHE 4 HD1 PHE 4 -4.462 1.938 -3.943 36 HD2 PHE 4 HD2 PHE 4 -0.055 1.110 -3.440 37 HE1 PHE 4 HE1 PHE 4 -4.635 -0.025 -5.611 38 HE2 PHE 4 HE2 PHE 4 -0.246 -0.864 -5.102 39 HZ PHE 4 HZ PHE 4 -2.531 -1.430 -6.196 40 H VAL 5 H VAL 5 -0.280 1.625 -0.097 41 HA VAL 5 HA VAL 5 0.973 4.045 0.955 42 HB VAL 5 HB VAL 5 1.688 2.805 3.123 43 1HG1 VAL 5 1HG1 VAL 5 0.252 4.781 3.035 44 2HG1 VAL 5 2HG1 VAL 5 -1.165 3.736 2.939 45 3HG1 VAL 5 3HG1 VAL 5 -0.146 3.712 4.378 46 1HG2 VAL 5 1HG2 VAL 5 0.775 0.543 2.744 47 2HG2 VAL 5 2HG2 VAL 5 0.064 1.275 4.180 48 3HG2 VAL 5 3HG2 VAL 5 -0.861 1.202 2.681 49 H LYS 6 H LYS 6 3.106 4.188 0.692 50 HA LYS 6 HA LYS 6 4.621 1.864 -0.321 51 1HB LYS 6 1HB LYS 6 4.035 4.148 -1.698 52 2HB LYS 6 2HB LYS 6 5.599 4.574 -1.020 53 1HG LYS 6 1HG LYS 6 6.720 2.921 -2.207 54 2HG LYS 6 2HG LYS 6 5.261 1.968 -2.466 55 1HD LYS 6 1HD LYS 6 4.612 3.176 -4.291 56 2HD LYS 6 2HD LYS 6 5.311 4.684 -3.697 57 1HE LYS 6 1HE LYS 6 7.507 4.010 -4.349 58 2HE LYS 6 2HE LYS 6 6.963 2.370 -4.703 59 1HZ LYS 6 1HZ LYS 6 5.551 3.327 -6.476 60 2HZ LYS 6 2HZ LYS 6 6.251 4.840 -6.187 61 3HZ LYS 6 3HZ LYS 6 7.205 3.559 -6.743 62 H THR 7 H THR 7 6.706 1.466 0.290 63 HA THR 7 HA THR 7 7.896 2.917 2.586 64 HB THR 7 HB THR 7 8.993 0.611 3.124 65 HG1 THR 7 HG1 THR 7 8.365 -0.696 1.507 66 1HG2 THR 7 1HG2 THR 7 6.161 1.372 3.738 67 2HG2 THR 7 2HG2 THR 7 6.836 -0.134 4.358 68 3HG2 THR 7 3HG2 THR 7 7.579 1.408 4.786 69 H LEU 8 H LEU 8 10.126 3.199 2.683 70 HA LEU 8 HA LEU 8 11.601 3.613 0.285 71 1HB LEU 8 1HB LEU 8 12.161 3.865 3.202 72 2HB LEU 8 2HB LEU 8 13.534 3.877 2.115 73 HG LEU 8 HG LEU 8 11.555 5.706 1.063 74 1HD1 LEU 8 1HD1 LEU 8 10.707 5.792 3.386 75 2HD1 LEU 8 2HD1 LEU 8 12.293 6.365 3.905 76 3HD1 LEU 8 3HD1 LEU 8 11.326 7.333 2.792 77 1HD2 LEU 8 1HD2 LEU 8 13.954 5.856 0.627 78 2HD2 LEU 8 2HD2 LEU 8 13.323 7.364 1.288 79 3HD2 LEU 8 3HD2 LEU 8 14.241 6.265 2.318 80 H ASP 9 H ASP 9 11.325 0.711 2.165 81 HA ASP 9 HA ASP 9 13.829 -0.608 1.646 82 1HB ASP 9 1HB ASP 9 11.282 -1.308 2.957 83 2HB ASP 9 2HB ASP 9 12.106 -2.669 2.207 84 H GLY 10 H GLY 10 10.674 -0.605 -0.044 85 1HA GLY 10 2HA GLY 10 11.803 -2.125 -2.331 86 2HA GLY 10 1HA GLY 10 10.622 -0.838 -2.478 87 H LYS 11 H LYS 11 8.649 -1.452 -0.704 88 HA LYS 11 HA LYS 11 7.357 -3.785 -1.882 89 1HB LYS 11 1HB LYS 11 6.441 -4.603 0.362 90 2HB LYS 11 2HB LYS 11 8.112 -4.977 0.024 91 1HG LYS 11 1HG LYS 11 8.543 -2.834 1.543 92 2HG LYS 11 2HG LYS 11 6.925 -3.210 2.133 93 1HD LYS 11 1HD LYS 11 7.963 -5.650 2.358 94 2HD LYS 11 2HD LYS 11 9.474 -4.746 2.410 95 1HE LYS 11 1HE LYS 11 9.002 -4.819 4.639 96 2HE LYS 11 2HE LYS 11 8.147 -3.334 4.229 97 1HZ LYS 11 1HZ LYS 11 6.850 -6.005 4.286 98 2HZ LYS 11 2HZ LYS 11 6.870 -4.952 5.610 99 3HZ LYS 11 3HZ LYS 11 6.094 -4.495 4.178 100 H THR 12 H THR 12 5.243 -3.582 -2.324 101 HA THR 12 HA THR 12 3.754 -1.193 -1.386 102 HB THR 12 HB THR 12 2.420 -1.457 -3.597 103 HG1 THR 12 HG1 THR 12 3.131 -2.878 -4.970 104 1HG2 THR 12 1HG2 THR 12 5.176 -0.295 -3.379 105 2HG2 THR 12 2HG2 THR 12 4.276 -0.190 -4.892 106 3HG2 THR 12 3HG2 THR 12 3.616 0.529 -3.423 107 H ILE 13 H ILE 13 1.727 -1.393 -0.592 108 HA ILE 13 HA ILE 13 0.116 -3.808 -0.859 109 HB ILE 13 HB ILE 13 -0.393 -3.940 1.649 110 1HG1 ILE 13 1HG1 ILE 13 2.301 -3.294 2.635 111 2HG1 ILE 13 2HG1 ILE 13 1.560 -1.859 1.945 112 1HG2 ILE 13 1HG2 ILE 13 2.233 -4.939 0.573 113 2HG2 ILE 13 2HG2 ILE 13 1.491 -5.511 2.068 114 3HG2 ILE 13 3HG2 ILE 13 0.660 -5.740 0.528 115 1HD1 ILE 13 1HD1 ILE 13 0.271 -3.570 4.060 116 2HD1 ILE 13 2HD1 ILE 13 1.212 -2.112 4.386 117 3HD1 ILE 13 3HD1 ILE 13 -0.289 -2.007 3.465 118 H THR 14 H THR 14 -2.061 -3.591 -0.686 119 HA THR 14 HA THR 14 -3.211 -1.001 0.075 120 HB THR 14 HB THR 14 -3.144 -0.881 -2.344 121 HG1 THR 14 HG1 THR 14 -4.909 0.169 -1.980 122 1HG2 THR 14 1HG2 THR 14 -3.253 -3.333 -2.954 123 2HG2 THR 14 2HG2 THR 14 -4.992 -3.266 -2.650 124 3HG2 THR 14 3HG2 THR 14 -4.279 -2.277 -3.926 125 H LEU 15 H LEU 15 -5.272 -0.914 0.936 126 HA LEU 15 HA LEU 15 -6.512 -3.422 1.871 127 1HB LEU 15 1HB LEU 15 -5.172 -1.668 3.475 128 2HB LEU 15 2HB LEU 15 -6.801 -1.036 3.596 129 HG LEU 15 HG LEU 15 -6.931 -3.903 3.975 130 1HD1 LEU 15 1HD1 LEU 15 -4.540 -3.691 4.616 131 2HD1 LEU 15 2HD1 LEU 15 -5.031 -2.602 5.913 132 3HD1 LEU 15 3HD1 LEU 15 -5.588 -4.275 5.909 133 1HD2 LEU 15 1HD2 LEU 15 -8.497 -2.140 4.846 134 2HD2 LEU 15 2HD2 LEU 15 -8.028 -3.379 6.011 135 3HD2 LEU 15 3HD2 LEU 15 -7.289 -1.780 6.080 136 H GLU 16 H GLU 16 -8.669 -3.658 1.718 137 HA GLU 16 HA GLU 16 -10.375 -1.445 0.755 138 1HB GLU 16 1HB GLU 16 -9.973 -4.180 -0.378 139 2HB GLU 16 2HB GLU 16 -11.594 -3.505 -0.445 140 1HG GLU 16 1HG GLU 16 -10.448 -1.444 -1.510 141 2HG GLU 16 2HG GLU 16 -9.090 -2.532 -1.779 142 H VAL 17 H VAL 17 -12.477 -1.295 1.462 143 HA VAL 17 HA VAL 17 -13.202 -2.701 3.913 144 HB VAL 17 HB VAL 17 -15.235 -1.102 3.982 145 1HG1 VAL 17 1HG1 VAL 17 -13.278 -0.948 5.431 146 2HG1 VAL 17 2HG1 VAL 17 -12.503 0.118 4.259 147 3HG1 VAL 17 3HG1 VAL 17 -13.980 0.631 5.075 148 1HG2 VAL 17 1HG2 VAL 17 -15.179 -0.172 1.673 149 2HG2 VAL 17 2HG2 VAL 17 -15.072 1.090 2.901 150 3HG2 VAL 17 3HG2 VAL 17 -13.627 0.584 2.028 No H/Q in entry = 150 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -13.708 0.181 -1.169 2 H2 MET 1 H2 MET 1 -13.992 0.743 0.402 3 H3 MET 1 H3 MET 1 -14.939 1.304 -0.882 4 HA MET 1 HA MET 1 -13.316 2.619 -1.747 5 1HB MET 1 1HB MET 1 -12.262 3.926 0.168 6 2HB MET 1 2HB MET 1 -14.000 3.772 0.219 7 1HG MET 1 1HG MET 1 -13.402 3.546 2.450 8 2HG MET 1 2HG MET 1 -13.516 1.861 1.951 9 1HE MET 1 1HE MET 1 -11.216 4.885 2.559 10 2HE MET 1 2HE MET 1 -11.451 4.102 4.123 11 3HE MET 1 3HE MET 1 -9.848 4.135 3.384 12 H GLN 2 H GLN 2 -11.321 3.011 -2.557 13 HA GLN 2 HA GLN 2 -9.135 1.141 -1.907 14 1HB GLN 2 1HB GLN 2 -10.098 2.237 -4.513 15 2HB GLN 2 2HB GLN 2 -8.360 2.064 -4.325 16 1HG GLN 2 1HG GLN 2 -8.482 -0.251 -4.117 17 2HG GLN 2 2HG GLN 2 -10.203 -0.221 -3.732 18 2HE2 GLN 2 2HE2 GLN 2 -7.811 -0.128 -6.307 19 1HE2 GLN 2 1HE2 GLN 2 -8.931 -0.342 -7.605 20 H ILE 3 H ILE 3 -7.349 1.865 -1.044 21 HA ILE 3 HA ILE 3 -6.308 4.551 -1.393 22 HB ILE 3 HB ILE 3 -5.863 4.793 1.173 23 1HG1 ILE 3 1HG1 ILE 3 -8.496 3.825 2.022 24 2HG1 ILE 3 2HG1 ILE 3 -7.574 2.485 1.365 25 1HG2 ILE 3 1HG2 ILE 3 -7.164 6.326 -0.221 26 2HG2 ILE 3 2HG2 ILE 3 -8.618 5.380 0.094 27 3HG2 ILE 3 3HG2 ILE 3 -7.807 6.219 1.418 28 1HD1 ILE 3 1HD1 ILE 3 -6.191 4.210 3.325 29 2HD1 ILE 3 2HD1 ILE 3 -7.502 3.191 3.920 30 3HD1 ILE 3 3HD1 ILE 3 -6.123 2.463 3.094 31 H PHE 4 H PHE 4 -4.282 4.508 -1.812 32 HA PHE 4 HA PHE 4 -2.667 2.101 -1.506 33 1HB PHE 4 1HB PHE 4 -2.668 4.500 -3.245 34 2HB PHE 4 2HB PHE 4 -1.081 3.865 -2.873 35 HD1 PHE 4 HD1 PHE 4 -4.478 2.971 -4.565 36 HD2 PHE 4 HD2 PHE 4 -0.125 1.918 -4.039 37 HE1 PHE 4 HE1 PHE 4 -4.637 1.326 -6.552 38 HE2 PHE 4 HE2 PHE 4 -0.297 0.268 -6.030 39 HZ PHE 4 HZ PHE 4 -2.543 -0.023 -7.295 40 H VAL 5 H VAL 5 -0.703 1.866 -0.525 41 HA VAL 5 HA VAL 5 0.607 3.999 0.961 42 HB VAL 5 HB VAL 5 0.906 2.493 3.056 43 1HG1 VAL 5 1HG1 VAL 5 -0.278 4.608 3.053 44 2HG1 VAL 5 2HG1 VAL 5 -1.771 3.785 2.600 45 3HG1 VAL 5 3HG1 VAL 5 -1.021 3.455 4.162 46 1HG2 VAL 5 1HG2 VAL 5 -0.209 0.403 2.258 47 2HG2 VAL 5 2HG2 VAL 5 -0.911 1.022 3.752 48 3HG2 VAL 5 3HG2 VAL 5 -1.748 1.266 2.219 49 H LYS 6 H LYS 6 2.763 3.914 0.970 50 HA LYS 6 HA LYS 6 4.162 1.498 -0.008 51 1HB LYS 6 1HB LYS 6 3.940 3.904 -1.334 52 2HB LYS 6 2HB LYS 6 5.491 4.081 -0.529 53 1HG LYS 6 1HG LYS 6 6.449 2.304 -1.700 54 2HG LYS 6 2HG LYS 6 4.883 1.626 -2.146 55 1HD LYS 6 1HD LYS 6 4.517 3.256 -3.798 56 2HD LYS 6 2HD LYS 6 5.762 4.325 -3.148 57 1HE LYS 6 1HE LYS 6 7.502 2.935 -3.952 58 2HE LYS 6 2HE LYS 6 6.386 1.615 -4.300 59 1HZ LYS 6 1HZ LYS 6 6.314 4.240 -5.682 60 2HZ LYS 6 2HZ LYS 6 7.129 2.885 -6.281 61 3HZ LYS 6 3HZ LYS 6 5.449 2.845 -6.089 62 H THR 7 H THR 7 6.091 0.886 0.858 63 HA THR 7 HA THR 7 6.810 1.767 3.553 64 HB THR 7 HB THR 7 8.481 -0.199 3.375 65 HG1 THR 7 HG1 THR 7 8.557 -1.203 1.548 66 1HG2 THR 7 1HG2 THR 7 5.510 -0.750 3.287 67 2HG2 THR 7 2HG2 THR 7 6.733 -1.902 3.824 68 3HG2 THR 7 3HG2 THR 7 6.479 -0.404 4.721 69 H LEU 8 H LEU 8 8.246 1.759 0.287 70 HA LEU 8 HA LEU 8 9.878 2.876 -0.801 71 1HB LEU 8 1HB LEU 8 10.354 4.334 1.812 72 2HB LEU 8 2HB LEU 8 11.448 4.536 0.460 73 HG LEU 8 HG LEU 8 8.834 4.944 -0.604 74 1HD1 LEU 8 1HD1 LEU 8 7.973 5.280 1.647 75 2HD1 LEU 8 2HD1 LEU 8 9.196 6.514 1.945 76 3HD1 LEU 8 3HD1 LEU 8 7.949 6.787 0.728 77 1HD2 LEU 8 1HD2 LEU 8 10.964 6.964 0.097 78 2HD2 LEU 8 2HD2 LEU 8 10.827 6.066 -1.414 79 3HD2 LEU 8 3HD2 LEU 8 9.594 7.248 -0.977 80 H ASP 9 H ASP 9 10.568 0.813 1.868 81 HA ASP 9 HA ASP 9 13.406 0.421 1.571 82 1HB ASP 9 1HB ASP 9 11.596 -0.195 3.548 83 2HB ASP 9 2HB ASP 9 11.921 -1.777 2.851 84 H GLY 10 H GLY 10 10.509 -1.297 0.315 85 1HA GLY 10 2HA GLY 10 12.061 -3.376 -1.066 86 2HA GLY 10 1HA GLY 10 11.231 -2.215 -2.079 87 H LYS 11 H LYS 11 8.800 -1.912 -0.598 88 HA LYS 11 HA LYS 11 7.355 -4.378 -1.273 89 1HB LYS 11 1HB LYS 11 7.443 -3.193 1.489 90 2HB LYS 11 2HB LYS 11 5.945 -3.920 0.932 91 1HG LYS 11 1HG LYS 11 7.001 -6.048 0.664 92 2HG LYS 11 2HG LYS 11 8.592 -5.352 0.986 93 1HD LYS 11 1HD LYS 11 7.744 -4.685 3.248 94 2HD LYS 11 2HD LYS 11 6.283 -5.615 2.908 95 1HE LYS 11 1HE LYS 11 7.628 -7.627 2.627 96 2HE LYS 11 2HE LYS 11 9.091 -6.697 2.950 97 1HZ LYS 11 1HZ LYS 11 6.851 -7.019 4.870 98 2HZ LYS 11 2HZ LYS 11 8.269 -7.939 4.895 99 3HZ LYS 11 3HZ LYS 11 8.340 -6.272 5.168 100 H THR 12 H THR 12 5.260 -4.118 -1.987 101 HA THR 12 HA THR 12 3.839 -1.564 -1.851 102 HB THR 12 HB THR 12 3.219 -1.786 -4.369 103 HG1 THR 12 HG1 THR 12 4.642 -2.846 -5.675 104 1HG2 THR 12 1HG2 THR 12 4.673 0.008 -3.283 105 2HG2 THR 12 2HG2 THR 12 6.054 -0.895 -3.903 106 3HG2 THR 12 3HG2 THR 12 4.862 -0.230 -5.020 107 H ILE 13 H ILE 13 1.839 -1.911 -1.225 108 HA ILE 13 HA ILE 13 0.112 -4.054 -2.137 109 HB ILE 13 HB ILE 13 -0.601 -4.677 0.303 110 1HG1 ILE 13 1HG1 ILE 13 2.158 -4.780 1.344 111 2HG1 ILE 13 2HG1 ILE 13 1.663 -3.118 1.076 112 1HG2 ILE 13 1HG2 ILE 13 1.839 -5.860 -1.005 113 2HG2 ILE 13 2HG2 ILE 13 0.923 -6.635 0.289 114 3HG2 ILE 13 3HG2 ILE 13 0.149 -6.304 -1.263 115 1HD1 ILE 13 1HD1 ILE 13 0.010 -5.052 2.673 116 2HD1 ILE 13 2HD1 ILE 13 1.285 -4.062 3.386 117 3HD1 ILE 13 3HD1 ILE 13 -0.110 -3.292 2.624 118 H THR 14 H THR 14 -2.054 -3.665 -2.025 119 HA THR 14 HA THR 14 -2.951 -0.947 -1.474 120 HB THR 14 HB THR 14 -5.226 -1.826 -2.297 121 HG1 THR 14 HG1 THR 14 -5.332 -3.805 -3.176 122 1HG2 THR 14 1HG2 THR 14 -3.369 -0.619 -3.672 123 2HG2 THR 14 2HG2 THR 14 -3.246 -2.184 -4.479 124 3HG2 THR 14 3HG2 THR 14 -4.785 -1.316 -4.459 125 H LEU 15 H LEU 15 -4.482 -0.240 -0.033 126 HA LEU 15 HA LEU 15 -5.289 -2.039 2.150 127 1HB LEU 15 1HB LEU 15 -3.832 0.278 2.381 128 2HB LEU 15 2HB LEU 15 -5.455 0.883 2.636 129 HG LEU 15 HG LEU 15 -5.161 -1.474 4.267 130 1HD1 LEU 15 1HD1 LEU 15 -2.717 -1.052 4.062 131 2HD1 LEU 15 2HD1 LEU 15 -2.973 0.514 4.834 132 3HD1 LEU 15 3HD1 LEU 15 -3.336 -0.973 5.711 133 1HD2 LEU 15 1HD2 LEU 15 -6.670 0.373 4.770 134 2HD2 LEU 15 2HD2 LEU 15 -5.588 0.048 6.124 135 3HD2 LEU 15 3HD2 LEU 15 -5.291 1.430 5.071 136 H GLU 16 H GLU 16 -7.179 -2.848 1.694 137 HA GLU 16 HA GLU 16 -9.446 -1.173 0.809 138 1HB GLU 16 1HB GLU 16 -8.385 -3.734 -0.288 139 2HB GLU 16 2HB GLU 16 -10.132 -3.556 -0.244 140 1HG GLU 16 1HG GLU 16 -9.637 -1.268 -1.421 141 2HG GLU 16 2HG GLU 16 -8.103 -2.032 -1.830 142 H VAL 17 H VAL 17 -11.498 -1.586 1.628 143 HA VAL 17 HA VAL 17 -11.684 -2.980 4.179 144 HB VAL 17 HB VAL 17 -14.096 -2.060 4.280 145 1HG1 VAL 17 1HG1 VAL 17 -12.304 -1.196 5.629 146 2HG1 VAL 17 2HG1 VAL 17 -11.794 -0.128 4.322 147 3HG1 VAL 17 3HG1 VAL 17 -13.357 0.114 5.101 148 1HG2 VAL 17 1HG2 VAL 17 -14.472 -1.342 1.946 149 2HG2 VAL 17 2HG2 VAL 17 -14.619 0.019 3.057 150 3HG2 VAL 17 3HG2 VAL 17 -13.158 -0.175 2.084 No H/Q in entry = 150 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -13.974 1.402 -3.127 2 H2 MET 1 H2 MET 1 -14.252 1.096 -1.488 3 H3 MET 1 H3 MET 1 -14.922 2.468 -2.218 4 HA MET 1 HA MET 1 -12.746 3.398 -2.586 5 1HB MET 1 1HB MET 1 -14.154 3.232 -0.219 6 2HB MET 1 2HB MET 1 -12.543 2.745 0.287 7 1HG MET 1 1HG MET 1 -11.617 4.813 -0.234 8 2HG MET 1 2HG MET 1 -12.950 5.251 -1.303 9 1HE MET 1 1HE MET 1 -15.395 5.754 -0.430 10 2HE MET 1 2HE MET 1 -15.465 6.964 0.853 11 3HE MET 1 3HE MET 1 -14.415 7.217 -0.542 12 H GLN 2 H GLN 2 -10.504 3.359 -2.490 13 HA GLN 2 HA GLN 2 -9.062 0.931 -1.695 14 1HB GLN 2 1HB GLN 2 -9.156 2.125 -4.433 15 2HB GLN 2 2HB GLN 2 -7.577 1.610 -3.858 16 1HG GLN 2 1HG GLN 2 -8.153 -0.613 -3.838 17 2HG GLN 2 2HG GLN 2 -9.873 -0.282 -3.649 18 2HE2 GLN 2 2HE2 GLN 2 -7.223 -0.595 -5.939 19 1HE2 GLN 2 1HE2 GLN 2 -8.208 -0.601 -7.357 20 H ILE 3 H ILE 3 -7.330 1.291 -0.490 21 HA ILE 3 HA ILE 3 -6.094 3.943 -0.401 22 HB ILE 3 HB ILE 3 -7.772 3.539 1.456 23 1HG1 ILE 3 1HG1 ILE 3 -5.595 4.265 3.185 24 2HG1 ILE 3 2HG1 ILE 3 -5.230 4.858 1.575 25 1HG2 ILE 3 1HG2 ILE 3 -5.863 1.487 2.487 26 2HG2 ILE 3 2HG2 ILE 3 -6.861 2.428 3.600 27 3HG2 ILE 3 3HG2 ILE 3 -7.621 1.439 2.353 28 1HD1 ILE 3 1HD1 ILE 3 -7.748 5.714 1.746 29 2HD1 ILE 3 2HD1 ILE 3 -7.348 5.684 3.464 30 3HD1 ILE 3 3HD1 ILE 3 -6.375 6.644 2.349 31 H PHE 4 H PHE 4 -4.063 3.951 -0.979 32 HA PHE 4 HA PHE 4 -2.389 1.530 -0.869 33 1HB PHE 4 1HB PHE 4 -2.770 3.689 -2.849 34 2HB PHE 4 2HB PHE 4 -1.093 3.255 -2.590 35 HD1 PHE 4 HD1 PHE 4 -4.493 1.999 -3.922 36 HD2 PHE 4 HD2 PHE 4 -0.097 1.089 -3.458 37 HE1 PHE 4 HE1 PHE 4 -4.702 0.089 -5.646 38 HE2 PHE 4 HE2 PHE 4 -0.327 -0.834 -5.177 39 HZ PHE 4 HZ PHE 4 -2.622 -1.332 -6.278 40 H VAL 5 H VAL 5 -0.327 1.475 -0.104 41 HA VAL 5 HA VAL 5 0.954 3.826 1.083 42 HB VAL 5 HB VAL 5 1.711 2.415 3.128 43 1HG1 VAL 5 1HG1 VAL 5 0.253 4.380 3.218 44 2HG1 VAL 5 2HG1 VAL 5 -1.153 3.325 3.077 45 3HG1 VAL 5 3HG1 VAL 5 -0.098 3.205 4.485 46 1HG2 VAL 5 1HG2 VAL 5 -0.804 0.808 2.540 47 2HG2 VAL 5 2HG2 VAL 5 0.843 0.184 2.630 48 3HG2 VAL 5 3HG2 VAL 5 0.055 0.811 4.080 49 H LYS 6 H LYS 6 3.087 4.000 0.813 50 HA LYS 6 HA LYS 6 4.619 1.760 -0.355 51 1HB LYS 6 1HB LYS 6 3.947 4.072 -1.647 52 2HB LYS 6 2HB LYS 6 5.516 4.512 -0.991 53 1HG LYS 6 1HG LYS 6 6.647 2.929 -2.257 54 2HG LYS 6 2HG LYS 6 5.207 1.946 -2.509 55 1HD LYS 6 1HD LYS 6 4.441 3.243 -4.244 56 2HD LYS 6 2HD LYS 6 5.228 4.708 -3.657 57 1HE LYS 6 1HE LYS 6 7.354 3.977 -4.449 58 2HE LYS 6 2HE LYS 6 6.738 2.360 -4.793 59 1HZ LYS 6 1HZ LYS 6 5.892 4.849 -6.177 60 2HZ LYS 6 2HZ LYS 6 6.958 3.694 -6.803 61 3HZ LYS 6 3HZ LYS 6 5.341 3.286 -6.522 62 H THR 7 H THR 7 6.722 1.392 0.212 63 HA THR 7 HA THR 7 7.907 2.806 2.535 64 HB THR 7 HB THR 7 9.099 0.551 2.985 65 HG1 THR 7 HG1 THR 7 8.583 -0.779 1.373 66 1HG2 THR 7 1HG2 THR 7 6.238 1.146 3.624 67 2HG2 THR 7 2HG2 THR 7 6.953 -0.380 4.147 68 3HG2 THR 7 3HG2 THR 7 7.650 1.152 4.681 69 H LEU 8 H LEU 8 10.127 3.180 2.600 70 HA LEU 8 HA LEU 8 11.539 3.682 0.165 71 1HB LEU 8 1HB LEU 8 11.962 4.139 3.045 72 2HB LEU 8 2HB LEU 8 13.444 3.944 2.135 73 HG LEU 8 HG LEU 8 11.850 5.772 0.628 74 1HD1 LEU 8 1HD1 LEU 8 11.849 6.486 3.556 75 2HD1 LEU 8 2HD1 LEU 8 11.526 7.622 2.245 76 3HD1 LEU 8 3HD1 LEU 8 10.448 6.250 2.510 77 1HD2 LEU 8 1HD2 LEU 8 14.307 5.759 0.779 78 2HD2 LEU 8 2HD2 LEU 8 13.619 7.358 1.058 79 3HD2 LEU 8 3HD2 LEU 8 14.195 6.395 2.420 80 H ASP 9 H ASP 9 11.468 0.820 2.148 81 HA ASP 9 HA ASP 9 14.026 -0.364 1.558 82 1HB ASP 9 1HB ASP 9 11.543 -1.255 2.948 83 2HB ASP 9 2HB ASP 9 12.622 -2.510 2.354 84 H GLY 10 H GLY 10 10.777 -0.655 0.071 85 1HA GLY 10 2HA GLY 10 11.842 -2.330 -2.142 86 2HA GLY 10 1HA GLY 10 10.735 -0.995 -2.398 87 H LYS 11 H LYS 11 8.734 -1.305 -0.614 88 HA LYS 11 HA LYS 11 7.369 -3.790 -1.411 89 1HB LYS 11 1HB LYS 11 8.039 -2.998 1.350 90 2HB LYS 11 2HB LYS 11 6.339 -3.361 1.131 91 1HG LYS 11 1HG LYS 11 6.756 -5.528 1.303 92 2HG LYS 11 2HG LYS 11 7.768 -5.465 -0.132 93 1HD LYS 11 1HD LYS 11 9.553 -5.974 1.115 94 2HD LYS 11 2HD LYS 11 9.371 -4.468 2.004 95 1HE LYS 11 1HE LYS 11 9.292 -5.953 3.739 96 2HE LYS 11 2HE LYS 11 7.574 -5.896 3.346 97 1HZ LYS 11 1HZ LYS 11 9.468 -7.938 2.306 98 2HZ LYS 11 2HZ LYS 11 8.451 -8.170 3.639 99 3HZ LYS 11 3HZ LYS 11 7.788 -7.918 2.103 100 H THR 12 H THR 12 5.187 -3.671 -1.797 101 HA THR 12 HA THR 12 3.666 -1.194 -1.344 102 HB THR 12 HB THR 12 2.621 -1.524 -3.705 103 HG1 THR 12 HG1 THR 12 3.593 -3.357 -4.445 104 1HG2 THR 12 1HG2 THR 12 3.912 0.461 -3.098 105 2HG2 THR 12 2HG2 THR 12 5.412 -0.386 -3.474 106 3HG2 THR 12 3HG2 THR 12 4.256 -0.028 -4.757 107 H ILE 13 H ILE 13 1.684 -1.510 -0.576 108 HA ILE 13 HA ILE 13 0.063 -3.874 -1.081 109 HB ILE 13 HB ILE 13 -0.490 -4.219 1.412 110 1HG1 ILE 13 1HG1 ILE 13 2.236 -3.751 2.432 111 2HG1 ILE 13 2HG1 ILE 13 1.511 -2.240 1.911 112 1HG2 ILE 13 1HG2 ILE 13 2.115 -5.209 0.275 113 2HG2 ILE 13 2HG2 ILE 13 1.305 -5.906 1.678 114 3HG2 ILE 13 3HG2 ILE 13 0.515 -5.931 0.101 115 1HD1 ILE 13 1HD1 ILE 13 0.154 -4.128 3.814 116 2HD1 ILE 13 2HD1 ILE 13 1.221 -2.824 4.336 117 3HD1 ILE 13 3HD1 ILE 13 -0.267 -2.450 3.464 118 H THR 14 H THR 14 -2.114 -3.637 -0.926 119 HA THR 14 HA THR 14 -3.216 -1.074 0.003 120 HB THR 14 HB THR 14 -3.194 -0.878 -2.413 121 HG1 THR 14 HG1 THR 14 -5.195 -0.119 -2.607 122 1HG2 THR 14 1HG2 THR 14 -3.349 -3.316 -3.086 123 2HG2 THR 14 2HG2 THR 14 -5.081 -3.227 -2.762 124 3HG2 THR 14 3HG2 THR 14 -4.367 -2.213 -4.018 125 H LEU 15 H LEU 15 -5.275 -0.976 0.884 126 HA LEU 15 HA LEU 15 -6.540 -3.483 1.785 127 1HB LEU 15 1HB LEU 15 -5.163 -1.776 3.405 128 2HB LEU 15 2HB LEU 15 -6.781 -1.121 3.549 129 HG LEU 15 HG LEU 15 -6.951 -3.990 3.887 130 1HD1 LEU 15 1HD1 LEU 15 -4.907 -2.699 5.685 131 2HD1 LEU 15 2HD1 LEU 15 -5.636 -4.285 5.933 132 3HD1 LEU 15 3HD1 LEU 15 -4.620 -3.993 4.522 133 1HD2 LEU 15 1HD2 LEU 15 -8.492 -2.236 4.796 134 2HD2 LEU 15 2HD2 LEU 15 -8.008 -3.474 5.956 135 3HD2 LEU 15 3HD2 LEU 15 -7.265 -1.876 6.010 136 H GLU 16 H GLU 16 -8.707 -3.683 1.648 137 HA GLU 16 HA GLU 16 -10.383 -1.425 0.733 138 1HB GLU 16 1HB GLU 16 -10.033 -4.148 -0.442 139 2HB GLU 16 2HB GLU 16 -11.647 -3.456 -0.478 140 1HG GLU 16 1HG GLU 16 -10.501 -1.393 -1.532 141 2HG GLU 16 2HG GLU 16 -9.151 -2.483 -1.829 142 H VAL 17 H VAL 17 -12.473 -1.246 1.461 143 HA VAL 17 HA VAL 17 -13.320 -2.948 3.718 144 HB VAL 17 HB VAL 17 -14.917 -1.014 4.354 145 1HG1 VAL 17 1HG1 VAL 17 -11.954 -0.702 4.734 146 2HG1 VAL 17 2HG1 VAL 17 -13.192 0.115 5.687 147 3HG1 VAL 17 3HG1 VAL 17 -13.068 -1.643 5.725 148 1HG2 VAL 17 1HG2 VAL 17 -14.583 0.436 2.304 149 2HG2 VAL 17 2HG2 VAL 17 -14.362 1.275 3.841 150 3HG2 VAL 17 3HG2 VAL 17 -12.958 0.787 2.892 No H/Q in entry = 150 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -13.939 1.250 -2.860 2 H2 MET 1 H2 MET 1 -14.209 0.944 -1.218 3 H3 MET 1 H3 MET 1 -14.893 2.307 -1.948 4 HA MET 1 HA MET 1 -12.752 3.282 -2.302 5 1HB MET 1 1HB MET 1 -14.088 3.005 0.101 6 2HB MET 1 2HB MET 1 -12.450 2.550 0.542 7 1HG MET 1 1HG MET 1 -11.612 4.649 0.158 8 2HG MET 1 2HG MET 1 -12.879 5.068 -0.994 9 1HE MET 1 1HE MET 1 -11.872 4.479 2.618 10 2HE MET 1 2HE MET 1 -11.616 6.208 2.373 11 3HE MET 1 3HE MET 1 -12.841 5.653 3.514 12 H GLN 2 H GLN 2 -10.513 3.282 -2.272 13 HA GLN 2 HA GLN 2 -9.001 0.862 -1.588 14 1HB GLN 2 1HB GLN 2 -9.203 2.129 -4.287 15 2HB GLN 2 2HB GLN 2 -7.594 1.642 -3.773 16 1HG GLN 2 1HG GLN 2 -8.123 -0.600 -3.771 17 2HG GLN 2 2HG GLN 2 -9.848 -0.304 -3.571 18 2HE2 GLN 2 2HE2 GLN 2 -7.197 -0.516 -5.874 19 1HE2 GLN 2 1HE2 GLN 2 -8.188 -0.514 -7.289 20 H ILE 3 H ILE 3 -7.243 1.226 -0.422 21 HA ILE 3 HA ILE 3 -6.065 3.902 -0.292 22 HB ILE 3 HB ILE 3 -7.673 3.404 1.603 23 1HG1 ILE 3 1HG1 ILE 3 -5.454 4.135 3.279 24 2HG1 ILE 3 2HG1 ILE 3 -5.164 4.786 1.675 25 1HG2 ILE 3 1HG2 ILE 3 -5.682 1.373 2.513 26 2HG2 ILE 3 2HG2 ILE 3 -6.665 2.256 3.684 27 3HG2 ILE 3 3HG2 ILE 3 -7.441 1.283 2.435 28 1HD1 ILE 3 1HD1 ILE 3 -7.715 5.550 1.993 29 2HD1 ILE 3 2HD1 ILE 3 -7.198 5.518 3.680 30 3HD1 ILE 3 3HD1 ILE 3 -6.334 6.518 2.511 31 H PHE 4 H PHE 4 -4.058 3.979 -0.933 32 HA PHE 4 HA PHE 4 -2.304 1.609 -0.908 33 1HB PHE 4 1HB PHE 4 -2.816 3.773 -2.866 34 2HB PHE 4 2HB PHE 4 -1.127 3.350 -2.681 35 HD1 PHE 4 HD1 PHE 4 -4.582 2.046 -3.843 36 HD2 PHE 4 HD2 PHE 4 -0.148 1.232 -3.640 37 HE1 PHE 4 HE1 PHE 4 -4.846 0.150 -5.576 38 HE2 PHE 4 HE2 PHE 4 -0.431 -0.675 -5.366 39 HZ PHE 4 HZ PHE 4 -2.775 -1.215 -6.342 40 H VAL 5 H VAL 5 -0.248 1.618 -0.153 41 HA VAL 5 HA VAL 5 1.048 4.014 0.897 42 HB VAL 5 HB VAL 5 1.767 2.759 3.056 43 1HG1 VAL 5 1HG1 VAL 5 0.358 4.762 2.973 44 2HG1 VAL 5 2HG1 VAL 5 -1.073 3.733 2.917 45 3HG1 VAL 5 3HG1 VAL 5 -0.023 3.707 4.333 46 1HG2 VAL 5 1HG2 VAL 5 0.726 0.514 2.568 47 2HG2 VAL 5 2HG2 VAL 5 0.260 1.199 4.126 48 3HG2 VAL 5 3HG2 VAL 5 -0.862 1.262 2.767 49 H LYS 6 H LYS 6 3.179 4.123 0.615 50 HA LYS 6 HA LYS 6 4.661 1.766 -0.376 51 1HB LYS 6 1HB LYS 6 4.060 4.015 -1.813 52 2HB LYS 6 2HB LYS 6 5.642 4.442 -1.183 53 1HG LYS 6 1HG LYS 6 6.710 2.703 -2.319 54 2HG LYS 6 2HG LYS 6 5.209 1.815 -2.572 55 1HD LYS 6 1HD LYS 6 4.581 3.092 -4.377 56 2HD LYS 6 2HD LYS 6 5.450 4.523 -3.821 57 1HE LYS 6 1HE LYS 6 7.537 3.638 -4.535 58 2HE LYS 6 2HE LYS 6 6.840 2.042 -4.815 59 1HZ LYS 6 1HZ LYS 6 5.499 3.004 -6.601 60 2HZ LYS 6 2HZ LYS 6 6.227 4.510 -6.350 61 3HZ LYS 6 3HZ LYS 6 7.153 3.203 -6.892 62 H THR 7 H THR 7 6.746 1.375 0.230 63 HA THR 7 HA THR 7 7.948 2.884 2.484 64 HB THR 7 HB THR 7 9.120 0.638 3.026 65 HG1 THR 7 HG1 THR 7 8.448 -0.511 1.179 66 1HG2 THR 7 1HG2 THR 7 6.257 1.269 3.624 67 2HG2 THR 7 2HG2 THR 7 6.967 -0.233 4.215 68 3HG2 THR 7 3HG2 THR 7 7.662 1.318 4.688 69 H LEU 8 H LEU 8 10.171 3.241 2.543 70 HA LEU 8 HA LEU 8 11.588 3.648 0.098 71 1HB LEU 8 1HB LEU 8 12.164 4.058 2.994 72 2HB LEU 8 2HB LEU 8 13.524 4.083 1.890 73 HG LEU 8 HG LEU 8 11.452 5.768 0.780 74 1HD1 LEU 8 1HD1 LEU 8 10.594 5.948 3.073 75 2HD1 LEU 8 2HD1 LEU 8 12.167 6.547 3.599 76 3HD1 LEU 8 3HD1 LEU 8 11.207 7.480 2.451 77 1HD2 LEU 8 1HD2 LEU 8 13.827 6.017 0.302 78 2HD2 LEU 8 2HD2 LEU 8 13.143 7.519 0.920 79 3HD2 LEU 8 3HD2 LEU 8 14.125 6.499 1.972 80 H ASP 9 H ASP 9 11.475 0.830 2.128 81 HA ASP 9 HA ASP 9 14.027 -0.388 1.575 82 1HB ASP 9 1HB ASP 9 11.546 -1.214 2.998 83 2HB ASP 9 2HB ASP 9 12.586 -2.503 2.409 84 H GLY 10 H GLY 10 10.758 -0.722 0.120 85 1HA GLY 10 2HA GLY 10 11.814 -2.439 -2.066 86 2HA GLY 10 1HA GLY 10 10.724 -1.096 -2.355 87 H LYS 11 H LYS 11 8.701 -1.309 -0.630 88 HA LYS 11 HA LYS 11 7.322 -3.826 -1.307 89 1HB LYS 11 1HB LYS 11 7.658 -2.691 1.463 90 2HB LYS 11 2HB LYS 11 6.206 -3.591 1.068 91 1HG LYS 11 1HG LYS 11 7.236 -5.551 1.310 92 2HG LYS 11 2HG LYS 11 8.550 -5.084 0.243 93 1HD LYS 11 1HD LYS 11 9.929 -5.051 2.004 94 2HD LYS 11 2HD LYS 11 9.031 -3.694 2.668 95 1HE LYS 11 1HE LYS 11 7.447 -5.581 3.579 96 2HE LYS 11 2HE LYS 11 8.861 -6.605 3.338 97 1HZ LYS 11 1HZ LYS 11 10.116 -4.968 4.711 98 2HZ LYS 11 2HZ LYS 11 8.649 -4.203 5.063 99 3HZ LYS 11 3HZ LYS 11 8.909 -5.800 5.554 100 H THR 12 H THR 12 5.129 -3.707 -1.703 101 HA THR 12 HA THR 12 3.638 -1.194 -1.391 102 HB THR 12 HB THR 12 2.586 -1.627 -3.729 103 HG1 THR 12 HG1 THR 12 3.593 -2.941 -5.064 104 1HG2 THR 12 1HG2 THR 12 5.330 -0.443 -3.354 105 2HG2 THR 12 2HG2 THR 12 4.452 -0.338 -4.881 106 3HG2 THR 12 3HG2 THR 12 3.778 0.391 -3.423 107 H ILE 13 H ILE 13 1.664 -1.453 -0.584 108 HA ILE 13 HA ILE 13 0.040 -3.847 -0.949 109 HB ILE 13 HB ILE 13 -0.509 -4.044 1.553 110 1HG1 ILE 13 1HG1 ILE 13 2.196 -3.442 2.562 111 2HG1 ILE 13 2HG1 ILE 13 1.437 -1.987 1.939 112 1HG2 ILE 13 1HG2 ILE 13 2.111 -5.048 0.466 113 2HG2 ILE 13 2HG2 ILE 13 1.367 -5.644 1.950 114 3HG2 ILE 13 3HG2 ILE 13 0.532 -5.832 0.406 115 1HD1 ILE 13 1HD1 ILE 13 0.135 -3.788 3.964 116 2HD1 ILE 13 2HD1 ILE 13 1.132 -2.395 4.387 117 3HD1 ILE 13 3HD1 ILE 13 -0.365 -2.166 3.481 118 H THR 14 H THR 14 -2.141 -3.611 -0.799 119 HA THR 14 HA THR 14 -3.272 -1.032 0.025 120 HB THR 14 HB THR 14 -3.170 -0.837 -2.389 121 HG1 THR 14 HG1 THR 14 -5.848 -1.241 -1.539 122 1HG2 THR 14 1HG2 THR 14 -3.270 -3.225 -3.128 123 2HG2 THR 14 2HG2 THR 14 -4.996 -3.237 -2.752 124 3HG2 THR 14 3HG2 THR 14 -4.373 -2.171 -4.013 125 H LEU 15 H LEU 15 -5.330 -0.944 0.877 126 HA LEU 15 HA LEU 15 -6.592 -3.467 1.746 127 1HB LEU 15 1HB LEU 15 -5.303 -1.715 3.383 128 2HB LEU 15 2HB LEU 15 -6.933 -1.080 3.461 129 HG LEU 15 HG LEU 15 -7.101 -3.936 3.842 130 1HD1 LEU 15 1HD1 LEU 15 -4.723 -3.805 4.504 131 2HD1 LEU 15 2HD1 LEU 15 -5.171 -2.666 5.774 132 3HD1 LEU 15 3HD1 LEU 15 -5.790 -4.317 5.812 133 1HD2 LEU 15 1HD2 LEU 15 -8.674 -2.222 4.707 134 2HD2 LEU 15 2HD2 LEU 15 -8.149 -3.381 5.927 135 3HD2 LEU 15 3HD2 LEU 15 -7.457 -1.759 5.898 136 H GLU 16 H GLU 16 -8.750 -3.716 1.575 137 HA GLU 16 HA GLU 16 -10.452 -1.527 0.553 138 1HB GLU 16 1HB GLU 16 -10.018 -4.279 -0.516 139 2HB GLU 16 2HB GLU 16 -11.647 -3.631 -0.604 140 1HG GLU 16 1HG GLU 16 -10.650 -1.618 -1.770 141 2HG GLU 16 2HG GLU 16 -9.147 -2.530 -1.876 142 H VAL 17 H VAL 17 -12.554 -1.360 1.245 143 HA VAL 17 HA VAL 17 -13.502 -3.143 3.403 144 HB VAL 17 HB VAL 17 -14.870 -1.142 4.304 145 1HG1 VAL 17 1HG1 VAL 17 -12.953 -2.221 5.424 146 2HG1 VAL 17 2HG1 VAL 17 -11.897 -1.000 4.713 147 3HG1 VAL 17 3HG1 VAL 17 -13.164 -0.521 5.843 148 1HG2 VAL 17 1HG2 VAL 17 -14.439 0.540 2.504 149 2HG2 VAL 17 2HG2 VAL 17 -13.984 1.121 4.106 150 3HG2 VAL 17 3HG2 VAL 17 -12.741 0.576 2.977 No H/Q in entry = 150 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -13.687 0.520 0.732 2 H2 MET 1 H2 MET 1 -14.822 1.660 0.205 3 H3 MET 1 H3 MET 1 -14.052 0.653 -0.913 4 HA MET 1 HA MET 1 -13.112 2.851 -1.002 5 1HB MET 1 1HB MET 1 -13.628 2.840 1.707 6 2HB MET 1 2HB MET 1 -11.881 2.680 1.681 7 1HG MET 1 1HG MET 1 -11.555 4.787 0.907 8 2HG MET 1 2HG MET 1 -13.058 4.810 -0.016 9 1HE MET 1 1HE MET 1 -11.287 5.074 3.261 10 2HE MET 1 2HE MET 1 -11.510 6.784 2.887 11 3HE MET 1 3HE MET 1 -12.319 6.075 4.285 12 H GLN 2 H GLN 2 -11.044 3.121 -1.755 13 HA GLN 2 HA GLN 2 -8.993 1.073 -1.266 14 1HB GLN 2 1HB GLN 2 -10.390 1.164 -3.636 15 2HB GLN 2 2HB GLN 2 -9.009 2.175 -4.015 16 1HG GLN 2 1HG GLN 2 -8.345 -0.393 -2.736 17 2HG GLN 2 2HG GLN 2 -9.093 -0.516 -4.324 18 2HE2 GLN 2 2HE2 GLN 2 -7.963 0.277 -6.167 19 1HE2 GLN 2 1HE2 GLN 2 -6.279 0.650 -6.085 20 H ILE 3 H ILE 3 -7.077 1.808 -0.704 21 HA ILE 3 HA ILE 3 -5.975 4.362 -1.511 22 HB ILE 3 HB ILE 3 -5.268 4.972 0.916 23 1HG1 ILE 3 1HG1 ILE 3 -7.810 4.234 2.184 24 2HG1 ILE 3 2HG1 ILE 3 -6.976 2.782 1.660 25 1HG2 ILE 3 1HG2 ILE 3 -6.755 6.254 -0.614 26 2HG2 ILE 3 2HG2 ILE 3 -8.140 5.504 0.178 27 3HG2 ILE 3 3HG2 ILE 3 -7.052 6.540 1.102 28 1HD1 ILE 3 1HD1 ILE 3 -5.542 4.852 3.273 29 2HD1 ILE 3 2HD1 ILE 3 -6.593 3.662 4.040 30 3HD1 ILE 3 3HD1 ILE 3 -5.197 3.131 3.102 31 H PHE 4 H PHE 4 -3.965 4.215 -2.028 32 HA PHE 4 HA PHE 4 -2.418 1.784 -1.594 33 1HB PHE 4 1HB PHE 4 -2.414 4.047 -3.507 34 2HB PHE 4 2HB PHE 4 -0.832 3.389 -3.152 35 HD1 PHE 4 HD1 PHE 4 -4.311 2.523 -4.665 36 HD2 PHE 4 HD2 PHE 4 0.002 1.297 -4.184 37 HE1 PHE 4 HE1 PHE 4 -4.607 0.752 -6.520 38 HE2 PHE 4 HE2 PHE 4 -0.302 -0.467 -6.057 39 HZ PHE 4 HZ PHE 4 -2.602 -0.739 -7.230 40 H VAL 5 H VAL 5 -0.398 1.561 -0.678 41 HA VAL 5 HA VAL 5 0.967 3.786 0.632 42 HB VAL 5 HB VAL 5 1.386 2.363 2.763 43 1HG1 VAL 5 1HG1 VAL 5 0.133 4.464 2.683 44 2HG1 VAL 5 2HG1 VAL 5 -1.353 3.552 2.422 45 3HG1 VAL 5 3HG1 VAL 5 -0.456 3.362 3.928 46 1HG2 VAL 5 1HG2 VAL 5 0.195 0.245 1.970 47 2HG2 VAL 5 2HG2 VAL 5 -0.242 0.816 3.580 48 3HG2 VAL 5 3HG2 VAL 5 -1.321 1.110 2.214 49 H LYS 6 H LYS 6 3.108 3.769 0.519 50 HA LYS 6 HA LYS 6 4.618 1.333 -0.197 51 1HB LYS 6 1HB LYS 6 4.044 3.333 -2.025 52 2HB LYS 6 2HB LYS 6 5.631 3.808 -1.449 53 1HG LYS 6 1HG LYS 6 6.489 1.567 -2.050 54 2HG LYS 6 2HG LYS 6 4.900 1.153 -2.684 55 1HD LYS 6 1HD LYS 6 5.418 2.053 -4.661 56 2HD LYS 6 2HD LYS 6 5.688 3.624 -3.917 57 1HE LYS 6 1HE LYS 6 8.013 3.094 -3.534 58 2HE LYS 6 2HE LYS 6 7.768 1.439 -4.093 59 1HZ LYS 6 1HZ LYS 6 7.436 3.872 -5.765 60 2HZ LYS 6 2HZ LYS 6 8.784 2.850 -5.790 61 3HZ LYS 6 3HZ LYS 6 7.275 2.272 -6.292 62 H THR 7 H THR 7 6.706 1.131 0.573 63 HA THR 7 HA THR 7 7.714 3.145 2.477 64 HB THR 7 HB THR 7 6.957 1.216 3.764 65 HG1 THR 7 HG1 THR 7 9.782 1.416 3.748 66 1HG2 THR 7 1HG2 THR 7 8.786 -0.497 2.088 67 2HG2 THR 7 2HG2 THR 7 8.355 -0.959 3.734 68 3HG2 THR 7 3HG2 THR 7 7.096 -0.773 2.513 69 H LEU 8 H LEU 8 10.094 3.146 2.920 70 HA LEU 8 HA LEU 8 11.670 3.655 0.588 71 1HB LEU 8 1HB LEU 8 12.124 3.753 3.536 72 2HB LEU 8 2HB LEU 8 13.531 3.787 2.493 73 HG LEU 8 HG LEU 8 11.645 5.717 1.469 74 1HD1 LEU 8 1HD1 LEU 8 10.633 5.776 3.679 75 2HD1 LEU 8 2HD1 LEU 8 12.209 6.094 4.405 76 3HD1 LEU 8 3HD1 LEU 8 11.480 7.283 3.325 77 1HD2 LEU 8 1HD2 LEU 8 14.130 5.747 1.244 78 2HD2 LEU 8 2HD2 LEU 8 13.424 7.285 1.738 79 3HD2 LEU 8 3HD2 LEU 8 14.226 6.260 2.928 80 H ASP 9 H ASP 9 11.353 0.740 2.521 81 HA ASP 9 HA ASP 9 13.829 -0.593 1.915 82 1HB ASP 9 1HB ASP 9 11.240 -1.502 3.162 83 2HB ASP 9 2HB ASP 9 12.508 -2.659 2.776 84 H GLY 10 H GLY 10 10.561 -0.706 0.438 85 1HA GLY 10 2HA GLY 10 11.563 -2.351 -1.826 86 2HA GLY 10 1HA GLY 10 10.423 -1.030 -2.007 87 H LYS 11 H LYS 11 8.361 -1.292 -0.574 88 HA LYS 11 HA LYS 11 7.152 -3.941 -1.081 89 1HB LYS 11 1HB LYS 11 7.130 -2.454 1.540 90 2HB LYS 11 2HB LYS 11 5.797 -3.504 1.118 91 1HG LYS 11 1HG LYS 11 7.267 -5.415 1.045 92 2HG LYS 11 2HG LYS 11 8.673 -4.378 1.314 93 1HD LYS 11 1HD LYS 11 7.423 -3.652 3.478 94 2HD LYS 11 2HD LYS 11 6.470 -5.114 3.223 95 1HE LYS 11 1HE LYS 11 8.779 -6.288 3.061 96 2HE LYS 11 2HE LYS 11 9.383 -4.824 3.840 97 1HZ LYS 11 1HZ LYS 11 7.168 -6.462 4.938 98 2HZ LYS 11 2HZ LYS 11 8.787 -6.667 5.384 99 3HZ LYS 11 3HZ LYS 11 7.997 -5.205 5.708 100 H THR 12 H THR 12 4.975 -3.966 -1.662 101 HA THR 12 HA THR 12 3.428 -1.478 -1.798 102 HB THR 12 HB THR 12 2.547 -2.254 -4.119 103 HG1 THR 12 HG1 THR 12 5.078 -3.564 -4.096 104 1HG2 THR 12 1HG2 THR 12 4.089 -0.242 -3.542 105 2HG2 THR 12 2HG2 THR 12 5.355 -1.221 -4.284 106 3HG2 THR 12 3HG2 THR 12 3.938 -0.755 -5.223 107 H ILE 13 H ILE 13 1.511 -1.663 -0.938 108 HA ILE 13 HA ILE 13 -0.135 -4.059 -1.081 109 HB ILE 13 HB ILE 13 -0.702 -3.992 1.383 110 1HG1 ILE 13 1HG1 ILE 13 0.347 -1.995 2.317 111 2HG1 ILE 13 2HG1 ILE 13 0.990 -3.394 3.125 112 1HG2 ILE 13 1HG2 ILE 13 0.562 -5.764 0.154 113 2HG2 ILE 13 2HG2 ILE 13 2.022 -5.139 0.926 114 3HG2 ILE 13 3HG2 ILE 13 0.697 -5.760 1.911 115 1HD1 ILE 13 1HD1 ILE 13 3.054 -2.898 1.444 116 2HD1 ILE 13 2HD1 ILE 13 2.383 -1.270 1.554 117 3HD1 ILE 13 3HD1 ILE 13 2.894 -2.118 3.017 118 H THR 14 H THR 14 -2.293 -3.742 -1.116 119 HA THR 14 HA THR 14 -3.334 -0.982 -1.120 120 HB THR 14 HB THR 14 -5.423 -2.037 -2.169 121 HG1 THR 14 HG1 THR 14 -5.387 -4.157 -2.173 122 1HG2 THR 14 1HG2 THR 14 -3.446 -0.878 -3.393 123 2HG2 THR 14 2HG2 THR 14 -3.118 -2.505 -3.994 124 3HG2 THR 14 3HG2 THR 14 -4.681 -1.749 -4.303 125 H LEU 15 H LEU 15 -5.122 -0.278 0.018 126 HA LEU 15 HA LEU 15 -6.045 -1.920 2.281 127 1HB LEU 15 1HB LEU 15 -5.354 0.944 2.021 128 2HB LEU 15 2HB LEU 15 -6.863 0.662 2.860 129 HG LEU 15 HG LEU 15 -4.945 -1.146 3.995 130 1HD1 LEU 15 1HD1 LEU 15 -3.879 1.665 3.806 131 2HD1 LEU 15 2HD1 LEU 15 -3.277 0.427 4.909 132 3HD1 LEU 15 3HD1 LEU 15 -3.136 0.200 3.165 133 1HD2 LEU 15 1HD2 LEU 15 -6.897 -0.131 5.138 134 2HD2 LEU 15 2HD2 LEU 15 -5.400 -0.006 6.060 135 3HD2 LEU 15 3HD2 LEU 15 -6.025 1.400 5.197 136 H GLU 16 H GLU 16 -7.719 -3.040 1.630 137 HA GLU 16 HA GLU 16 -9.996 -1.779 0.232 138 1HB GLU 16 1HB GLU 16 -8.513 -4.306 -0.328 139 2HB GLU 16 2HB GLU 16 -10.250 -4.324 -0.590 140 1HG GLU 16 1HG GLU 16 -9.745 -2.129 -1.955 141 2HG GLU 16 2HG GLU 16 -8.119 -2.802 -2.033 142 H VAL 17 H VAL 17 -12.084 -2.303 0.798 143 HA VAL 17 HA VAL 17 -12.625 -4.158 3.014 144 HB VAL 17 HB VAL 17 -14.398 -2.521 3.948 145 1HG1 VAL 17 1HG1 VAL 17 -12.277 -3.239 5.042 146 2HG1 VAL 17 2HG1 VAL 17 -11.551 -1.736 4.473 147 3HG1 VAL 17 3HG1 VAL 17 -12.921 -1.688 5.582 148 1HG2 VAL 17 1HG2 VAL 17 -14.178 -0.725 2.153 149 2HG2 VAL 17 2HG2 VAL 17 -14.104 -0.146 3.819 150 3HG2 VAL 17 3HG2 VAL 17 -12.625 -0.305 2.873 No H/Q in entry = 150 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -13.991 1.018 -1.248 2 H2 MET 1 H2 MET 1 -13.797 0.762 0.413 3 H3 MET 1 H3 MET 1 -14.807 2.001 -0.141 4 HA MET 1 HA MET 1 -12.950 3.187 -1.063 5 1HB MET 1 1HB MET 1 -13.621 2.917 1.609 6 2HB MET 1 2HB MET 1 -11.883 2.665 1.642 7 1HG MET 1 1HG MET 1 -11.912 4.906 1.936 8 2HG MET 1 2HG MET 1 -11.916 4.883 0.174 9 1HE MET 1 1HE MET 1 -13.991 5.141 3.395 10 2HE MET 1 2HE MET 1 -13.443 6.776 3.020 11 3HE MET 1 3HE MET 1 -15.164 6.391 2.977 12 H GLN 2 H GLN 2 -10.804 3.417 -1.624 13 HA GLN 2 HA GLN 2 -8.892 1.227 -1.213 14 1HB GLN 2 1HB GLN 2 -10.007 2.056 -3.788 15 2HB GLN 2 2HB GLN 2 -8.258 2.212 -3.764 16 1HG GLN 2 1HG GLN 2 -7.971 -0.100 -3.283 17 2HG GLN 2 2HG GLN 2 -9.698 -0.315 -2.999 18 2HE2 GLN 2 2HE2 GLN 2 -7.188 0.015 -5.436 19 1HE2 GLN 2 1HE2 GLN 2 -8.178 -0.432 -6.780 20 H ILE 3 H ILE 3 -6.944 1.803 -0.573 21 HA ILE 3 HA ILE 3 -5.759 4.408 -1.056 22 HB ILE 3 HB ILE 3 -5.065 4.647 1.452 23 1HG1 ILE 3 1HG1 ILE 3 -7.669 3.865 2.550 24 2HG1 ILE 3 2HG1 ILE 3 -6.893 2.459 1.843 25 1HG2 ILE 3 1HG2 ILE 3 -6.344 6.283 0.212 26 2HG2 ILE 3 2HG2 ILE 3 -7.839 5.408 0.544 27 3HG2 ILE 3 3HG2 ILE 3 -6.947 6.165 1.865 28 1HD1 ILE 3 1HD1 ILE 3 -5.296 4.157 3.682 29 2HD1 ILE 3 2HD1 ILE 3 -6.553 3.120 4.356 30 3HD1 ILE 3 3HD1 ILE 3 -5.243 2.415 3.409 31 H PHE 4 H PHE 4 -3.728 4.326 -1.514 32 HA PHE 4 HA PHE 4 -2.183 1.844 -1.223 33 1HB PHE 4 1HB PHE 4 -2.221 4.135 -3.152 34 2HB PHE 4 2HB PHE 4 -0.701 3.295 -2.933 35 HD1 PHE 4 HD1 PHE 4 -4.389 2.800 -4.120 36 HD2 PHE 4 HD2 PHE 4 -0.180 1.182 -4.081 37 HE1 PHE 4 HE1 PHE 4 -5.026 1.098 -5.955 38 HE2 PHE 4 HE2 PHE 4 -0.832 -0.526 -5.919 39 HZ PHE 4 HZ PHE 4 -3.250 -0.566 -6.864 40 H VAL 5 H VAL 5 -0.119 1.702 -0.398 41 HA VAL 5 HA VAL 5 1.246 4.009 0.797 42 HB VAL 5 HB VAL 5 1.572 1.688 2.624 43 1HG1 VAL 5 1HG1 VAL 5 2.470 3.961 3.016 44 2HG1 VAL 5 2HG1 VAL 5 0.823 4.530 3.293 45 3HG1 VAL 5 3HG1 VAL 5 1.534 3.328 4.369 46 1HG2 VAL 5 1HG2 VAL 5 -0.938 1.502 2.256 47 2HG2 VAL 5 2HG2 VAL 5 -0.422 1.752 3.923 48 3HG2 VAL 5 3HG2 VAL 5 -1.080 3.099 2.991 49 H LYS 6 H LYS 6 3.385 4.035 0.490 50 HA LYS 6 HA LYS 6 4.841 1.630 -0.411 51 1HB LYS 6 1HB LYS 6 4.103 3.642 -2.122 52 2HB LYS 6 2HB LYS 6 5.700 4.188 -1.638 53 1HG LYS 6 1HG LYS 6 6.753 2.299 -2.551 54 2HG LYS 6 2HG LYS 6 5.245 1.392 -2.650 55 1HD LYS 6 1HD LYS 6 4.544 2.485 -4.559 56 2HD LYS 6 2HD LYS 6 5.504 3.927 -4.229 57 1HE LYS 6 1HE LYS 6 7.510 2.852 -4.914 58 2HE LYS 6 2HE LYS 6 6.730 1.271 -4.951 59 1HZ LYS 6 1HZ LYS 6 5.964 3.521 -6.730 60 2HZ LYS 6 2HZ LYS 6 7.070 2.317 -7.167 61 3HZ LYS 6 3HZ LYS 6 5.461 1.909 -6.839 62 H THR 7 H THR 7 6.975 1.394 0.128 63 HA THR 7 HA THR 7 8.304 3.316 1.948 64 HB THR 7 HB THR 7 9.400 1.227 3.027 65 HG1 THR 7 HG1 THR 7 8.710 -0.615 2.336 66 1HG2 THR 7 1HG2 THR 7 6.610 2.174 3.553 67 2HG2 THR 7 2HG2 THR 7 7.283 0.846 4.499 68 3HG2 THR 7 3HG2 THR 7 8.075 2.423 4.503 69 H LEU 8 H LEU 8 10.543 3.539 1.816 70 HA LEU 8 HA LEU 8 11.844 3.346 -0.680 71 1HB LEU 8 1HB LEU 8 12.344 4.506 1.874 72 2HB LEU 8 2HB LEU 8 13.790 3.634 1.418 73 HG LEU 8 HG LEU 8 13.062 5.104 -0.902 74 1HD1 LEU 8 1HD1 LEU 8 12.825 6.840 1.553 75 2HD1 LEU 8 2HD1 LEU 8 13.051 7.444 -0.088 76 3HD1 LEU 8 3HD1 LEU 8 11.591 6.547 0.327 77 1HD2 LEU 8 1HD2 LEU 8 15.351 4.608 -0.166 78 2HD2 LEU 8 2HD2 LEU 8 15.130 6.315 -0.551 79 3HD2 LEU 8 3HD2 LEU 8 15.181 5.791 1.133 80 H ASP 9 H ASP 9 11.636 0.863 1.742 81 HA ASP 9 HA ASP 9 14.030 -0.651 1.204 82 1HB ASP 9 1HB ASP 9 12.136 -0.664 3.234 83 2HB ASP 9 2HB ASP 9 11.863 -2.197 2.415 84 H GLY 10 H GLY 10 10.623 -0.908 0.080 85 1HA GLY 10 2HA GLY 10 11.346 -3.007 -1.901 86 2HA GLY 10 1HA GLY 10 10.335 -1.631 -2.304 87 H LYS 11 H LYS 11 8.468 -1.386 -0.461 88 HA LYS 11 HA LYS 11 6.878 -3.872 -0.503 89 1HB LYS 11 1HB LYS 11 7.948 -2.589 1.839 90 2HB LYS 11 2HB LYS 11 6.204 -2.423 1.877 91 1HG LYS 11 1HG LYS 11 5.876 -4.576 2.404 92 2HG LYS 11 2HG LYS 11 7.057 -5.152 1.237 93 1HD LYS 11 1HD LYS 11 8.359 -5.714 2.985 94 2HD LYS 11 2HD LYS 11 8.643 -3.995 3.234 95 1HE LYS 11 1HE LYS 11 7.965 -4.670 5.339 96 2HE LYS 11 2HE LYS 11 6.442 -4.121 4.648 97 1HZ LYS 11 1HZ LYS 11 7.337 -6.956 4.705 98 2HZ LYS 11 2HZ LYS 11 6.265 -6.267 5.818 99 3HZ LYS 11 3HZ LYS 11 5.830 -6.384 4.187 100 H THR 12 H THR 12 4.659 -3.674 -0.735 101 HA THR 12 HA THR 12 3.339 -1.060 -0.894 102 HB THR 12 HB THR 12 2.078 -1.887 -3.011 103 HG1 THR 12 HG1 THR 12 2.813 -3.908 -3.374 104 1HG2 THR 12 1HG2 THR 12 4.885 -0.816 -3.040 105 2HG2 THR 12 2HG2 THR 12 3.970 -1.043 -4.531 106 3HG2 THR 12 3HG2 THR 12 3.366 0.048 -3.284 107 H ILE 13 H ILE 13 1.465 -1.024 0.141 108 HA ILE 13 HA ILE 13 -0.139 -3.443 0.551 109 HB ILE 13 HB ILE 13 1.430 -3.104 2.503 110 1HG1 ILE 13 1HG1 ILE 13 -0.980 -3.049 4.105 111 2HG1 ILE 13 2HG1 ILE 13 -1.323 -3.874 2.597 112 1HG2 ILE 13 1HG2 ILE 13 1.518 -0.735 2.854 113 2HG2 ILE 13 2HG2 ILE 13 -0.190 -0.685 3.290 114 3HG2 ILE 13 3HG2 ILE 13 0.959 -1.528 4.330 115 1HD1 ILE 13 1HD1 ILE 13 0.942 -4.581 4.447 116 2HD1 ILE 13 2HD1 ILE 13 -0.631 -5.380 4.425 117 3HD1 ILE 13 3HD1 ILE 13 0.425 -5.473 3.016 118 H THR 14 H THR 14 -2.237 -3.239 0.153 119 HA THR 14 HA THR 14 -3.538 -0.587 -0.093 120 HB THR 14 HB THR 14 -5.175 -1.861 -1.677 121 HG1 THR 14 HG1 THR 14 -2.877 -3.539 -1.873 122 1HG2 THR 14 1HG2 THR 14 -3.379 -0.093 -2.248 123 2HG2 THR 14 2HG2 THR 14 -2.517 -1.464 -2.953 124 3HG2 THR 14 3HG2 THR 14 -4.131 -1.044 -3.529 125 H LEU 15 H LEU 15 -5.655 -0.261 0.570 126 HA LEU 15 HA LEU 15 -6.830 -2.261 2.392 127 1HB LEU 15 1HB LEU 15 -6.214 0.451 2.851 128 2HB LEU 15 2HB LEU 15 -7.950 0.430 2.636 129 HG LEU 15 HG LEU 15 -7.317 -1.721 4.431 130 1HD1 LEU 15 1HD1 LEU 15 -5.193 -0.616 4.899 131 2HD1 LEU 15 2HD1 LEU 15 -6.050 0.868 5.312 132 3HD1 LEU 15 3HD1 LEU 15 -6.265 -0.577 6.299 133 1HD2 LEU 15 1HD2 LEU 15 -8.631 0.949 4.930 134 2HD2 LEU 15 2HD2 LEU 15 -9.428 -0.556 4.470 135 3HD2 LEU 15 3HD2 LEU 15 -8.653 -0.415 6.048 136 H GLU 16 H GLU 16 -8.295 -3.440 1.422 137 HA GLU 16 HA GLU 16 -10.263 -2.287 -0.455 138 1HB GLU 16 1HB GLU 16 -8.416 -4.599 -0.816 139 2HB GLU 16 2HB GLU 16 -10.043 -4.783 -1.457 140 1HG GLU 16 1HG GLU 16 -9.674 -2.616 -2.698 141 2HG GLU 16 2HG GLU 16 -7.986 -2.709 -2.201 142 H VAL 17 H VAL 17 -12.356 -3.032 -0.433 143 HA VAL 17 HA VAL 17 -13.238 -4.605 1.888 144 HB VAL 17 HB VAL 17 -15.619 -3.788 1.283 145 1HG1 VAL 17 1HG1 VAL 17 -14.205 -3.043 3.193 146 2HG1 VAL 17 2HG1 VAL 17 -13.743 -1.645 2.224 147 3HG1 VAL 17 3HG1 VAL 17 -15.432 -1.891 2.667 148 1HG2 VAL 17 1HG2 VAL 17 -15.010 -2.759 -0.993 149 2HG2 VAL 17 2HG2 VAL 17 -16.001 -1.771 0.078 150 3HG2 VAL 17 3HG2 VAL 17 -14.275 -1.440 -0.084 No H/Q in entry = 150 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -13.462 0.125 0.065 2 H2 MET 1 H2 MET 1 -14.644 1.294 -0.243 3 H3 MET 1 H3 MET 1 -13.897 0.490 -1.530 4 HA MET 1 HA MET 1 -12.869 2.524 -1.529 5 1HB MET 1 1HB MET 1 -11.875 3.571 0.595 6 2HB MET 1 2HB MET 1 -13.616 3.617 0.437 7 1HG MET 1 1HG MET 1 -13.681 1.655 2.075 8 2HG MET 1 2HG MET 1 -11.961 1.936 2.336 9 1HE MET 1 1HE MET 1 -15.513 3.445 2.444 10 2HE MET 1 2HE MET 1 -15.284 2.549 3.946 11 3HE MET 1 3HE MET 1 -15.480 4.302 3.986 12 H GLN 2 H GLN 2 -10.802 2.804 -2.146 13 HA GLN 2 HA GLN 2 -8.722 0.926 -1.250 14 1HB GLN 2 1HB GLN 2 -9.558 1.543 -4.058 15 2HB GLN 2 2HB GLN 2 -7.843 1.301 -3.745 16 1HG GLN 2 1HG GLN 2 -8.143 -0.917 -3.101 17 2HG GLN 2 2HG GLN 2 -9.871 -0.706 -2.829 18 2HE2 GLN 2 2HE2 GLN 2 -7.370 -1.277 -5.228 19 1HE2 GLN 2 1HE2 GLN 2 -8.444 -1.669 -6.523 20 H ILE 3 H ILE 3 -6.885 1.741 -0.605 21 HA ILE 3 HA ILE 3 -5.884 4.356 -1.384 22 HB ILE 3 HB ILE 3 -5.302 4.903 1.116 23 1HG1 ILE 3 2HG1 ILE 3 -7.878 4.111 2.226 24 2HG1 ILE 3 1HG1 ILE 3 -7.066 2.669 1.641 25 1HG2 ILE 3 1HG2 ILE 3 -6.742 6.180 -0.488 26 2HG2 ILE 3 2HG2 ILE 3 -8.140 5.407 0.261 27 3HG2 ILE 3 3HG2 ILE 3 -7.088 6.446 1.221 28 1HD1 ILE 3 1HD1 ILE 3 -5.613 4.585 3.406 29 2HD1 ILE 3 2HD1 ILE 3 -6.758 3.426 4.082 30 3HD1 ILE 3 3HD1 ILE 3 -5.359 2.854 3.173 31 H PHE 4 H PHE 4 -3.865 4.288 -1.884 32 HA PHE 4 HA PHE 4 -2.187 1.993 -1.173 33 1HB PHE 4 1HB PHE 4 -2.495 3.737 -3.542 34 2HB PHE 4 2HB PHE 4 -0.834 3.329 -3.164 35 HD1 PHE 4 HD1 PHE 4 -4.257 1.849 -4.245 36 HD2 PHE 4 HD2 PHE 4 0.146 1.066 -3.645 37 HE1 PHE 4 HE1 PHE 4 -4.465 -0.356 -5.569 38 HE2 PHE 4 HE2 PHE 4 -0.076 -1.138 -4.985 39 HZ PHE 4 HZ PHE 4 -2.376 -1.851 -5.949 40 H VAL 5 H VAL 5 -0.169 2.075 -0.347 41 HA VAL 5 HA VAL 5 1.239 4.534 0.283 42 HB VAL 5 HB VAL 5 1.738 3.699 2.718 43 1HG1 VAL 5 1HG1 VAL 5 0.640 5.789 2.177 44 2HG1 VAL 5 2HG1 VAL 5 -0.919 4.969 2.107 45 3HG1 VAL 5 3HG1 VAL 5 -0.043 5.067 3.634 46 1HG2 VAL 5 1HG2 VAL 5 0.414 1.542 2.610 47 2HG2 VAL 5 2HG2 VAL 5 0.034 2.580 3.984 48 3HG2 VAL 5 3HG2 VAL 5 -1.055 2.521 2.600 49 H LYS 6 H LYS 6 3.352 4.393 -0.019 50 HA LYS 6 HA LYS 6 4.611 1.762 -0.457 51 1HB LYS 6 1HB LYS 6 4.380 3.901 -2.190 52 2HB LYS 6 2HB LYS 6 6.003 4.115 -1.556 53 1HG LYS 6 1HG LYS 6 6.730 2.044 -2.403 54 2HG LYS 6 2HG LYS 6 5.085 1.478 -2.666 55 1HD LYS 6 1HD LYS 6 5.121 2.224 -4.769 56 2HD LYS 6 2HD LYS 6 5.427 3.869 -4.222 57 1HE LYS 6 1HE LYS 6 7.817 3.482 -4.276 58 2HE LYS 6 2HE LYS 6 7.567 1.779 -4.661 59 1HZ LYS 6 1HZ LYS 6 6.764 4.059 -6.389 60 2HZ LYS 6 2HZ LYS 6 8.132 3.093 -6.623 61 3HZ LYS 6 3HZ LYS 6 6.588 2.418 -6.762 62 H THR 7 H THR 7 6.618 1.222 0.293 63 HA THR 7 HA THR 7 7.851 2.828 2.460 64 HB THR 7 HB THR 7 8.849 0.525 3.165 65 HG1 THR 7 HG1 THR 7 6.601 -0.355 1.660 66 1HG2 THR 7 1HG2 THR 7 6.042 1.439 3.649 67 2HG2 THR 7 2HG2 THR 7 6.605 -0.080 4.348 68 3HG2 THR 7 3HG2 THR 7 7.424 1.431 4.745 69 H LEU 8 H LEU 8 10.097 3.022 2.628 70 HA LEU 8 HA LEU 8 11.673 3.307 0.293 71 1HB LEU 8 1HB LEU 8 11.916 3.857 3.115 72 2HB LEU 8 2HB LEU 8 13.427 3.207 2.523 73 HG LEU 8 HG LEU 8 12.635 5.187 0.621 74 1HD1 LEU 8 1HD1 LEU 8 11.111 6.127 2.279 75 2HD1 LEU 8 2HD1 LEU 8 12.443 6.277 3.426 76 3HD1 LEU 8 3HD1 LEU 8 12.452 7.221 1.937 77 1HD2 LEU 8 1HD2 LEU 8 14.752 5.321 2.767 78 2HD2 LEU 8 2HD2 LEU 8 14.940 4.642 1.150 79 3HD2 LEU 8 3HD2 LEU 8 14.651 6.370 1.352 80 H ASP 9 H ASP 9 11.199 0.431 2.183 81 HA ASP 9 HA ASP 9 13.635 -1.022 1.693 82 1HB ASP 9 1HB ASP 9 10.929 -1.812 2.760 83 2HB ASP 9 2HB ASP 9 12.155 -3.029 2.425 84 H GLY 10 H GLY 10 10.476 -0.891 0.011 85 1HA GLY 10 2HA GLY 10 11.528 -2.486 -2.262 86 2HA GLY 10 1HA GLY 10 10.394 -1.159 -2.417 87 H LYS 11 H LYS 11 8.411 -1.665 -0.633 88 HA LYS 11 HA LYS 11 7.018 -3.967 -1.754 89 1HB LYS 11 1HB LYS 11 6.079 -4.677 0.527 90 2HB LYS 11 2HB LYS 11 7.715 -5.165 0.159 91 1HG LYS 11 1HG LYS 11 8.147 -2.877 1.624 92 2HG LYS 11 2HG LYS 11 6.655 -3.474 2.347 93 1HD LYS 11 1HD LYS 11 7.964 -5.757 2.424 94 2HD LYS 11 2HD LYS 11 9.382 -4.721 2.285 95 1HE LYS 11 1HE LYS 11 9.223 -4.827 4.554 96 2HE LYS 11 2HE LYS 11 8.183 -3.432 4.278 97 1HZ LYS 11 1HZ LYS 11 6.268 -4.960 4.311 98 2HZ LYS 11 2HZ LYS 11 7.305 -6.241 4.692 99 3HZ LYS 11 3HZ LYS 11 7.117 -4.954 5.775 100 H THR 12 H THR 12 4.903 -3.689 -2.174 101 HA THR 12 HA THR 12 3.632 -1.105 -1.507 102 HB THR 12 HB THR 12 1.974 -1.764 -3.382 103 HG1 THR 12 HG1 THR 12 2.364 -3.555 -4.413 104 1HG2 THR 12 1HG2 THR 12 3.793 -0.003 -3.518 105 2HG2 THR 12 2HG2 THR 12 4.778 -1.213 -4.340 106 3HG2 THR 12 3HG2 THR 12 3.256 -0.682 -5.054 107 H ILE 13 H ILE 13 1.765 -0.888 -0.426 108 HA ILE 13 HA ILE 13 0.111 -3.194 0.310 109 HB ILE 13 HB ILE 13 1.824 -2.874 2.112 110 1HG1 ILE 13 2HG1 ILE 13 -0.387 -2.385 3.915 111 2HG1 ILE 13 1HG1 ILE 13 -0.982 -3.280 2.527 112 1HG2 ILE 13 1HG2 ILE 13 2.191 -0.498 2.213 113 2HG2 ILE 13 2HG2 ILE 13 0.556 -0.231 2.827 114 3HG2 ILE 13 3HG2 ILE 13 1.734 -1.107 3.804 115 1HD1 ILE 13 1HD1 ILE 13 1.356 -4.117 4.232 116 2HD1 ILE 13 2HD1 ILE 13 -0.294 -4.721 4.402 117 3HD1 ILE 13 3HD1 ILE 13 0.616 -5.046 2.927 118 H THR 14 H THR 14 -2.040 -2.895 0.248 119 HA THR 14 HA THR 14 -3.280 -0.244 0.271 120 HB THR 14 HB THR 14 -3.036 -0.549 -2.120 121 HG1 THR 14 HG1 THR 14 -4.958 0.162 -2.517 122 1HG2 THR 14 1HG2 THR 14 -3.523 -3.329 -1.800 123 2HG2 THR 14 2HG2 THR 14 -4.835 -2.693 -2.793 124 3HG2 THR 14 3HG2 THR 14 -3.157 -2.454 -3.288 125 H LEU 15 H LEU 15 -5.481 -0.101 0.851 126 HA LEU 15 HA LEU 15 -6.529 -2.326 2.469 127 1HB LEU 15 1HB LEU 15 -6.531 0.608 2.736 128 2HB LEU 15 2HB LEU 15 -8.080 -0.127 3.086 129 HG LEU 15 HG LEU 15 -6.058 -1.644 4.483 130 1HD1 LEU 15 1HD1 LEU 15 -5.862 1.324 4.959 131 2HD1 LEU 15 2HD1 LEU 15 -5.223 0.084 6.039 132 3HD1 LEU 15 3HD1 LEU 15 -4.583 0.243 4.403 133 1HD2 LEU 15 1HD2 LEU 15 -8.400 -1.474 5.165 134 2HD2 LEU 15 2HD2 LEU 15 -7.310 -1.015 6.474 135 3HD2 LEU 15 3HD2 LEU 15 -8.165 0.228 5.560 136 H GLU 16 H GLU 16 -8.335 -3.395 1.989 137 HA GLU 16 HA GLU 16 -10.277 -2.413 -0.007 138 1HB GLU 16 1HB GLU 16 -8.678 -4.948 -0.127 139 2HB GLU 16 2HB GLU 16 -10.333 -4.983 -0.717 140 1HG GLU 16 1HG GLU 16 -9.718 -3.019 -2.195 141 2HG GLU 16 2HG GLU 16 -8.041 -3.310 -1.738 142 H VAL 17 H VAL 17 -12.406 -2.983 0.237 143 HA VAL 17 HA VAL 17 -13.255 -4.717 2.457 144 HB VAL 17 HB VAL 17 -15.217 -3.106 2.955 145 1HG1 VAL 17 1HG1 VAL 17 -13.276 -3.650 4.433 146 2HG1 VAL 17 2HG1 VAL 17 -12.541 -2.138 3.898 147 3HG1 VAL 17 3HG1 VAL 17 -14.081 -2.114 4.756 148 1HG2 VAL 17 1HG2 VAL 17 -14.714 -1.427 1.081 149 2HG2 VAL 17 2HG2 VAL 17 -15.024 -0.748 2.680 150 3HG2 VAL 17 3HG2 VAL 17 -13.372 -0.868 2.078 No H/Q in entry = 150 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -13.651 0.224 -0.197 2 H2 MET 1 H2 MET 1 -14.701 1.481 -0.625 3 H3 MET 1 H3 MET 1 -13.819 0.672 -1.821 4 HA MET 1 HA MET 1 -12.845 2.813 -1.391 5 1HB MET 1 1HB MET 1 -13.686 2.342 1.188 6 2HB MET 1 2HB MET 1 -11.950 2.098 1.341 7 1HG MET 1 1HG MET 1 -11.466 4.303 0.888 8 2HG MET 1 2HG MET 1 -12.963 4.563 -0.008 9 1HE MET 1 1HE MET 1 -15.331 4.651 1.138 10 2HE MET 1 2HE MET 1 -15.455 5.771 2.497 11 3HE MET 1 3HE MET 1 -14.622 6.264 1.022 12 H GLN 2 H GLN 2 -10.701 3.144 -1.841 13 HA GLN 2 HA GLN 2 -8.723 1.006 -1.453 14 1HB GLN 2 1HB GLN 2 -9.516 2.233 -4.076 15 2HB GLN 2 2HB GLN 2 -7.823 1.825 -3.823 16 1HG GLN 2 1HG GLN 2 -8.331 -0.476 -3.524 17 2HG GLN 2 2HG GLN 2 -10.062 -0.152 -3.450 18 2HE2 GLN 2 2HE2 GLN 2 -7.277 -0.519 -5.563 19 1HE2 GLN 2 1HE2 GLN 2 -8.173 -0.570 -7.038 20 H ILE 3 H ILE 3 -6.871 1.625 -0.636 21 HA ILE 3 HA ILE 3 -5.737 4.280 -0.916 22 HB ILE 3 HB ILE 3 -5.226 4.399 1.652 23 1HG1 ILE 3 1HG1 ILE 3 -7.866 3.552 2.554 24 2HG1 ILE 3 2HG1 ILE 3 -7.092 2.188 1.768 25 1HG2 ILE 3 1HG2 ILE 3 -6.524 6.006 0.282 26 2HG2 ILE 3 2HG2 ILE 3 -7.997 5.155 0.748 27 3HG2 ILE 3 3HG2 ILE 3 -7.010 5.948 1.977 28 1HD1 ILE 3 1HD1 ILE 3 -5.603 3.729 3.839 29 2HD1 ILE 3 2HD1 ILE 3 -6.835 2.559 4.314 30 3HD1 ILE 3 3HD1 ILE 3 -5.445 2.039 3.360 31 H PHE 4 H PHE 4 -3.720 4.158 -1.405 32 HA PHE 4 HA PHE 4 -2.159 1.710 -0.947 33 1HB PHE 4 1HB PHE 4 -2.370 3.707 -3.127 34 2HB PHE 4 2HB PHE 4 -0.740 3.153 -2.802 35 HD1 PHE 4 HD1 PHE 4 -4.242 2.050 -4.043 36 HD2 PHE 4 HD2 PHE 4 0.080 0.875 -3.500 37 HE1 PHE 4 HE1 PHE 4 -4.594 0.020 -5.597 38 HE2 PHE 4 HE2 PHE 4 -0.285 -1.149 -5.071 39 HZ PHE 4 HZ PHE 4 -2.618 -1.581 -6.121 40 H VAL 5 H VAL 5 -0.099 1.647 -0.150 41 HA VAL 5 HA VAL 5 1.284 4.044 0.794 42 HB VAL 5 HB VAL 5 1.926 2.854 3.014 43 1HG1 VAL 5 1HG1 VAL 5 0.501 4.893 2.716 44 2HG1 VAL 5 2HG1 VAL 5 -0.903 3.843 2.908 45 3HG1 VAL 5 3HG1 VAL 5 0.269 3.997 4.217 46 1HG2 VAL 5 1HG2 VAL 5 -0.684 1.352 2.589 47 2HG2 VAL 5 2HG2 VAL 5 0.918 0.633 2.753 48 3HG2 VAL 5 3HG2 VAL 5 0.181 1.474 4.120 49 H LYS 6 H LYS 6 3.411 4.069 0.492 50 HA LYS 6 HA LYS 6 4.851 1.601 -0.264 51 1HB LYS 6 1HB LYS 6 4.196 3.613 -2.004 52 2HB LYS 6 2HB LYS 6 5.792 4.131 -1.487 53 1HG LYS 6 1HG LYS 6 6.798 2.131 -2.300 54 2HG LYS 6 2HG LYS 6 5.228 1.377 -2.577 55 1HD LYS 6 1HD LYS 6 4.830 2.562 -4.504 56 2HD LYS 6 2HD LYS 6 5.805 3.944 -4.002 57 1HE LYS 6 1HE LYS 6 7.831 2.801 -4.515 58 2HE LYS 6 2HE LYS 6 6.985 1.270 -4.742 59 1HZ LYS 6 1HZ LYS 6 5.822 2.313 -6.645 60 2HZ LYS 6 2HZ LYS 6 6.808 3.677 -6.469 61 3HZ LYS 6 3HZ LYS 6 7.493 2.183 -6.869 62 H THR 7 H THR 7 6.956 1.308 0.333 63 HA THR 7 HA THR 7 8.236 3.162 2.267 64 HB THR 7 HB THR 7 9.414 1.049 3.164 65 HG1 THR 7 HG1 THR 7 8.792 -0.818 2.444 66 1HG2 THR 7 1HG2 THR 7 6.561 1.757 3.709 67 2HG2 THR 7 2HG2 THR 7 7.296 0.377 4.529 68 3HG2 THR 7 3HG2 THR 7 7.988 1.991 4.719 69 H LEU 8 H LEU 8 10.486 3.464 2.195 70 HA LEU 8 HA LEU 8 11.819 3.536 -0.302 71 1HB LEU 8 1HB LEU 8 12.157 4.714 2.160 72 2HB LEU 8 2HB LEU 8 13.564 3.678 2.069 73 HG LEU 8 HG LEU 8 13.462 5.008 -0.444 74 1HD1 LEU 8 1HD1 LEU 8 12.963 6.960 1.801 75 2HD1 LEU 8 2HD1 LEU 8 13.545 7.396 0.195 76 3HD1 LEU 8 3HD1 LEU 8 11.946 6.678 0.388 77 1HD2 LEU 8 1HD2 LEU 8 15.465 4.335 0.932 78 2HD2 LEU 8 2HD2 LEU 8 15.570 5.905 0.136 79 3HD2 LEU 8 3HD2 LEU 8 15.221 5.812 1.862 80 H ASP 9 H ASP 9 11.669 0.890 1.949 81 HA ASP 9 HA ASP 9 14.109 -0.521 1.337 82 1HB ASP 9 1HB ASP 9 11.645 -1.166 2.923 83 2HB ASP 9 2HB ASP 9 12.743 -2.469 2.486 84 H GLY 10 H GLY 10 10.735 -0.755 0.126 85 1HA GLY 10 2HA GLY 10 11.537 -2.709 -1.965 86 2HA GLY 10 1HA GLY 10 10.482 -1.344 -2.283 87 H LYS 11 H LYS 11 8.519 -1.288 -0.588 88 HA LYS 11 HA LYS 11 7.063 -3.843 -0.823 89 1HB LYS 11 1HB LYS 11 7.539 -2.299 1.701 90 2HB LYS 11 2HB LYS 11 5.981 -3.075 1.490 91 1HG LYS 11 1HG LYS 11 7.028 -5.233 1.311 92 2HG LYS 11 2HG LYS 11 8.631 -4.492 1.355 93 1HD LYS 11 1HD LYS 11 8.003 -3.545 3.611 94 2HD LYS 11 2HD LYS 11 6.573 -4.572 3.558 95 1HE LYS 11 1HE LYS 11 9.236 -5.846 3.116 96 2HE LYS 11 2HE LYS 11 8.812 -5.330 4.745 97 1HZ LYS 11 1HZ LYS 11 6.714 -6.632 4.473 98 2HZ LYS 11 2HZ LYS 11 7.352 -7.267 3.041 99 3HZ LYS 11 3HZ LYS 11 8.125 -7.566 4.515 100 H THR 12 H THR 12 4.862 -3.727 -1.215 101 HA THR 12 HA THR 12 3.450 -1.156 -1.331 102 HB THR 12 HB THR 12 2.365 -1.936 -3.561 103 HG1 THR 12 HG1 THR 12 3.186 -3.672 -4.415 104 1HG2 THR 12 1HG2 THR 12 3.837 0.053 -3.323 105 2HG2 THR 12 2HG2 THR 12 5.223 -0.971 -3.696 106 3HG2 THR 12 3HG2 THR 12 3.960 -0.722 -4.902 107 H ILE 13 H ILE 13 1.502 -1.216 -0.449 108 HA ILE 13 HA ILE 13 -0.187 -3.589 -0.383 109 HB ILE 13 HB ILE 13 -0.694 -3.330 2.081 110 1HG1 ILE 13 1HG1 ILE 13 0.411 -1.285 2.834 111 2HG1 ILE 13 2HG1 ILE 13 1.043 -2.631 3.733 112 1HG2 ILE 13 1HG2 ILE 13 0.505 -5.212 0.959 113 2HG2 ILE 13 2HG2 ILE 13 1.997 -4.557 1.632 114 3HG2 ILE 13 3HG2 ILE 13 0.700 -5.075 2.707 115 1HD1 ILE 13 1HD1 ILE 13 3.151 -2.393 2.225 116 2HD1 ILE 13 2HD1 ILE 13 2.477 -0.830 1.764 117 3HD1 ILE 13 3HD1 ILE 13 2.867 -1.156 3.452 118 H THR 14 H THR 14 -2.354 -3.282 -0.274 119 HA THR 14 HA THR 14 -3.469 -0.606 0.172 120 HB THR 14 HB THR 14 -3.315 -0.646 -2.243 121 HG1 THR 14 HG1 THR 14 -6.008 -1.023 -1.439 122 1HG2 THR 14 1HG2 THR 14 -3.877 -3.402 -2.251 123 2HG2 THR 14 2HG2 THR 14 -5.272 -2.642 -3.020 124 3HG2 THR 14 3HG2 THR 14 -3.648 -2.354 -3.653 125 H LEU 15 H LEU 15 -5.624 -0.421 0.859 126 HA LEU 15 HA LEU 15 -6.791 -2.801 2.155 127 1HB LEU 15 1HB LEU 15 -6.006 -0.451 3.323 128 2HB LEU 15 2HB LEU 15 -7.705 -0.136 3.043 129 HG LEU 15 HG LEU 15 -7.497 -2.758 4.230 130 1HD1 LEU 15 1HD1 LEU 15 -5.276 -1.888 5.039 131 2HD1 LEU 15 2HD1 LEU 15 -6.179 -0.699 5.977 132 3HD1 LEU 15 3HD1 LEU 15 -6.403 -2.421 6.287 133 1HD2 LEU 15 1HD2 LEU 15 -8.556 -0.152 5.317 134 2HD2 LEU 15 2HD2 LEU 15 -9.465 -1.388 4.448 135 3HD2 LEU 15 3HD2 LEU 15 -8.818 -1.733 6.052 136 H GLU 16 H GLU 16 -8.763 -3.514 1.661 137 HA GLU 16 HA GLU 16 -10.671 -1.920 0.072 138 1HB GLU 16 1HB GLU 16 -9.451 -4.555 -0.664 139 2HB GLU 16 2HB GLU 16 -11.134 -4.282 -1.087 140 1HG GLU 16 1HG GLU 16 -10.257 -2.079 -2.145 141 2HG GLU 16 2HG GLU 16 -8.682 -2.862 -2.073 142 H VAL 17 H VAL 17 -12.836 -2.246 0.406 143 HA VAL 17 HA VAL 17 -13.684 -4.054 2.588 144 HB VAL 17 HB VAL 17 -15.682 -2.453 2.960 145 1HG1 VAL 17 1HG1 VAL 17 -13.957 -2.799 4.595 146 2HG1 VAL 17 2HG1 VAL 17 -12.931 -1.596 3.813 147 3HG1 VAL 17 3HG1 VAL 17 -14.443 -1.104 4.575 148 1HG2 VAL 17 1HG2 VAL 17 -15.282 -0.906 0.989 149 2HG2 VAL 17 2HG2 VAL 17 -15.480 -0.092 2.541 150 3HG2 VAL 17 3HG2 VAL 17 -13.870 -0.285 1.848 No H/Q in entry = 150 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -14.139 0.088 -2.029 2 H2 MET 1 H2 MET 1 -14.027 -0.078 -0.348 3 H3 MET 1 H3 MET 1 -15.145 0.999 -1.020 4 HA MET 1 HA MET 1 -13.402 2.386 -1.870 5 1HB MET 1 1HB MET 1 -14.209 2.132 0.749 6 2HB MET 1 2HB MET 1 -12.465 2.064 0.920 7 1HG MET 1 1HG MET 1 -12.265 4.259 0.648 8 2HG MET 1 2HG MET 1 -13.273 4.264 -0.798 9 1HE MET 1 1HE MET 1 -12.986 4.362 2.929 10 2HE MET 1 2HE MET 1 -13.176 6.082 2.575 11 3HE MET 1 3HE MET 1 -14.418 5.227 3.493 12 H GLN 2 H GLN 2 -11.286 2.857 -2.347 13 HA GLN 2 HA GLN 2 -9.160 0.904 -1.788 14 1HB GLN 2 1HB GLN 2 -10.054 1.916 -4.455 15 2HB GLN 2 2HB GLN 2 -8.323 1.756 -4.201 16 1HG GLN 2 1HG GLN 2 -8.443 -0.552 -3.932 17 2HG GLN 2 2HG GLN 2 -10.177 -0.520 -3.610 18 2HE2 GLN 2 2HE2 GLN 2 -7.695 -0.494 -6.098 19 1HE2 GLN 2 1HE2 GLN 2 -8.768 -0.747 -7.428 20 H ILE 3 H ILE 3 -7.352 1.676 -0.994 21 HA ILE 3 HA ILE 3 -6.372 4.373 -1.387 22 HB ILE 3 HB ILE 3 -5.906 4.668 1.173 23 1HG1 ILE 3 2HG1 ILE 3 -8.503 3.721 2.099 24 2HG1 ILE 3 1HG1 ILE 3 -7.638 2.361 1.403 25 1HG2 ILE 3 1HG2 ILE 3 -7.253 6.141 -0.264 26 2HG2 ILE 3 2HG2 ILE 3 -8.691 5.209 0.157 27 3HG2 ILE 3 3HG2 ILE 3 -7.821 6.101 1.405 28 1HD1 ILE 3 1HD1 ILE 3 -6.237 4.097 3.371 29 2HD1 ILE 3 2HD1 ILE 3 -7.439 2.935 3.933 30 3HD1 ILE 3 3HD1 ILE 3 -6.030 2.380 3.027 31 H PHE 4 H PHE 4 -4.355 4.321 -1.858 32 HA PHE 4 HA PHE 4 -2.712 1.940 -1.477 33 1HB PHE 4 1HB PHE 4 -2.809 4.223 -3.350 34 2HB PHE 4 2HB PHE 4 -1.190 3.685 -2.964 35 HD1 PHE 4 HD1 PHE 4 -4.549 2.579 -4.579 36 HD2 PHE 4 HD2 PHE 4 -0.171 1.674 -3.991 37 HE1 PHE 4 HE1 PHE 4 -4.660 0.816 -6.466 38 HE2 PHE 4 HE2 PHE 4 -0.296 -0.099 -5.877 39 HZ PHE 4 HZ PHE 4 -2.531 -0.522 -7.124 40 H VAL 5 H VAL 5 -0.705 1.782 -0.553 41 HA VAL 5 HA VAL 5 0.595 4.008 0.808 42 HB VAL 5 HB VAL 5 1.011 2.579 2.937 43 1HG1 VAL 5 1HG1 VAL 5 -0.294 4.670 2.809 44 2HG1 VAL 5 2HG1 VAL 5 -1.757 3.704 2.615 45 3HG1 VAL 5 3HG1 VAL 5 -0.807 3.580 4.096 46 1HG2 VAL 5 1HG2 VAL 5 -0.165 0.456 2.102 47 2HG2 VAL 5 2HG2 VAL 5 -0.583 0.996 3.728 48 3HG2 VAL 5 3HG2 VAL 5 -1.685 1.307 2.387 49 H LYS 6 H LYS 6 2.750 3.992 0.727 50 HA LYS 6 HA LYS 6 4.183 1.596 -0.246 51 1HB LYS 6 1HB LYS 6 3.838 3.922 -1.642 52 2HB LYS 6 2HB LYS 6 5.371 4.245 -0.850 53 1HG LYS 6 1HG LYS 6 6.419 2.406 -1.911 54 2HG LYS 6 2HG LYS 6 4.878 1.745 -2.458 55 1HD LYS 6 1HD LYS 6 4.693 3.218 -4.205 56 2HD LYS 6 2HD LYS 6 5.598 4.493 -3.388 57 1HE LYS 6 1HE LYS 6 7.671 3.479 -3.895 58 2HE LYS 6 2HE LYS 6 6.902 1.963 -4.366 59 1HZ LYS 6 1HZ LYS 6 5.863 3.204 -6.232 60 2HZ LYS 6 2HZ LYS 6 6.805 4.548 -5.823 61 3HZ LYS 6 3HZ LYS 6 7.549 3.114 -6.329 62 H THR 7 H THR 7 6.196 1.074 0.513 63 HA THR 7 HA THR 7 7.213 2.368 2.979 64 HB THR 7 HB THR 7 8.369 0.062 3.344 65 HG1 THR 7 HG1 THR 7 7.929 -1.352 1.861 66 1HG2 THR 7 1HG2 THR 7 5.475 0.659 3.813 67 2HG2 THR 7 2HG2 THR 7 6.138 -0.906 4.282 68 3HG2 THR 7 3HG2 THR 7 6.806 0.575 4.969 69 H LEU 8 H LEU 8 9.404 2.743 3.280 70 HA LEU 8 HA LEU 8 11.032 3.437 1.042 71 1HB LEU 8 1HB LEU 8 10.898 4.161 3.691 72 2HB LEU 8 2HB LEU 8 12.399 3.261 3.649 73 HG LEU 8 HG LEU 8 12.537 5.017 1.418 74 1HD1 LEU 8 1HD1 LEU 8 11.498 6.481 3.842 75 2HD1 LEU 8 2HD1 LEU 8 12.287 7.251 2.465 76 3HD1 LEU 8 3HD1 LEU 8 10.758 6.401 2.242 77 1HD2 LEU 8 1HD2 LEU 8 14.375 4.260 2.955 78 2HD2 LEU 8 2HD2 LEU 8 14.426 5.961 2.491 79 3HD2 LEU 8 3HD2 LEU 8 13.839 5.500 4.089 80 H ASP 9 H ASP 9 10.767 0.390 2.655 81 HA ASP 9 HA ASP 9 13.385 -0.745 2.332 82 1HB ASP 9 1HB ASP 9 10.685 -1.871 3.018 83 2HB ASP 9 2HB ASP 9 12.006 -2.966 2.629 84 H GLY 10 H GLY 10 10.465 -0.754 0.264 85 1HA GLY 10 2HA GLY 10 11.948 -2.019 -1.978 86 2HA GLY 10 1HA GLY 10 10.729 -0.774 -2.171 87 H LYS 11 H LYS 11 8.597 -1.620 -0.698 88 HA LYS 11 HA LYS 11 7.557 -3.887 -2.206 89 1HB LYS 11 1HB LYS 11 6.432 -4.916 -0.143 90 2HB LYS 11 2HB LYS 11 8.139 -5.224 -0.346 91 1HG LYS 11 1HG LYS 11 8.259 -3.133 1.383 92 2HG LYS 11 2HG LYS 11 6.680 -3.784 1.820 93 1HD LYS 11 1HD LYS 11 7.907 -6.055 1.966 94 2HD LYS 11 2HD LYS 11 9.383 -5.090 1.988 95 1HE LYS 11 1HE LYS 11 8.710 -3.976 3.991 96 2HE LYS 11 2HE LYS 11 7.099 -4.687 3.910 97 1HZ LYS 11 1HZ LYS 11 9.626 -6.191 4.335 98 2HZ LYS 11 2HZ LYS 11 8.493 -5.812 5.534 99 3HZ LYS 11 3HZ LYS 11 8.075 -6.863 4.276 100 H THR 12 H THR 12 5.484 -3.725 -2.854 101 HA THR 12 HA THR 12 3.830 -1.458 -1.898 102 HB THR 12 HB THR 12 2.708 -1.602 -4.233 103 HG1 THR 12 HG1 THR 12 3.549 -3.197 -5.366 104 1HG2 THR 12 1HG2 THR 12 5.430 -0.424 -3.746 105 2HG2 THR 12 2HG2 THR 12 4.581 -0.186 -5.273 106 3HG2 THR 12 3HG2 THR 12 3.862 0.383 -3.767 107 H ILE 13 H ILE 13 1.817 -1.770 -1.209 108 HA ILE 13 HA ILE 13 0.189 -4.102 -1.797 109 HB ILE 13 HB ILE 13 -0.380 -4.522 0.686 110 1HG1 ILE 13 1HG1 ILE 13 2.317 -4.202 1.775 111 2HG1 ILE 13 2HG1 ILE 13 1.743 -2.636 1.222 112 1HG2 ILE 13 1HG2 ILE 13 2.198 -5.520 -0.495 113 2HG2 ILE 13 2HG2 ILE 13 1.390 -6.242 0.899 114 3HG2 ILE 13 3HG2 ILE 13 0.584 -6.210 -0.672 115 1HD1 ILE 13 1HD1 ILE 13 0.228 -4.420 3.112 116 2HD1 ILE 13 2HD1 ILE 13 1.289 -3.102 3.612 117 3HD1 ILE 13 3HD1 ILE 13 -0.164 -2.757 2.672 118 H THR 14 H THR 14 -1.989 -3.815 -1.676 119 HA THR 14 HA THR 14 -3.023 -1.101 -1.357 120 HB THR 14 HB THR 14 -5.247 -2.152 -2.098 121 HG1 THR 14 HG1 THR 14 -5.041 -4.301 -1.919 122 1HG2 THR 14 1HG2 THR 14 -2.880 -1.703 -3.782 123 2HG2 THR 14 2HG2 THR 14 -4.198 -2.618 -4.515 124 3HG2 THR 14 3HG2 THR 14 -4.507 -1.015 -3.856 125 H LEU 15 H LEU 15 -4.573 -0.373 0.042 126 HA LEU 15 HA LEU 15 -5.351 -2.063 2.322 127 1HB LEU 15 1HB LEU 15 -3.901 0.311 2.416 128 2HB LEU 15 2HB LEU 15 -5.531 0.850 2.753 129 HG LEU 15 HG LEU 15 -4.969 -1.491 4.380 130 1HD1 LEU 15 1HD1 LEU 15 -2.605 -0.817 4.108 131 2HD1 LEU 15 2HD1 LEU 15 -3.002 0.746 4.823 132 3HD1 LEU 15 3HD1 LEU 15 -3.178 -0.728 5.774 133 1HD2 LEU 15 1HD2 LEU 15 -6.658 0.265 4.860 134 2HD2 LEU 15 2HD2 LEU 15 -5.594 -0.083 6.223 135 3HD2 LEU 15 3HD2 LEU 15 -5.344 1.371 5.259 136 H GLU 16 H GLU 16 -7.288 -2.825 1.985 137 HA GLU 16 HA GLU 16 -9.482 -1.147 0.938 138 1HB GLU 16 1HB GLU 16 -8.527 -3.839 0.084 139 2HB GLU 16 2HB GLU 16 -10.265 -3.584 0.095 140 1HG GLU 16 1HG GLU 16 -9.638 -1.419 -1.265 141 2HG GLU 16 2HG GLU 16 -8.163 -2.319 -1.610 142 H VAL 17 H VAL 17 -11.532 -1.355 1.785 143 HA VAL 17 HA VAL 17 -12.161 -3.287 3.886 144 HB VAL 17 HB VAL 17 -13.254 -1.453 5.349 145 1HG1 VAL 17 1HG1 VAL 17 -11.372 -2.823 6.039 146 2HG1 VAL 17 2HG1 VAL 17 -10.256 -1.650 5.340 147 3HG1 VAL 17 3HG1 VAL 17 -11.274 -1.193 6.705 148 1HG2 VAL 17 1HG2 VAL 17 -11.223 0.380 4.021 149 2HG2 VAL 17 2HG2 VAL 17 -12.975 0.572 3.988 150 3HG2 VAL 17 3HG2 VAL 17 -12.101 0.738 5.509 No H/Q in entry = 150 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -14.221 1.245 -1.531 2 H2 MET 1 H2 MET 1 -14.914 2.639 -2.196 3 H3 MET 1 H3 MET 1 -13.991 1.605 -3.166 4 HA MET 1 HA MET 1 -12.693 3.497 -2.679 5 1HB MET 1 1HB MET 1 -12.076 4.099 -0.300 6 2HB MET 1 2HB MET 1 -13.720 4.457 -0.761 7 1HG MET 1 1HG MET 1 -13.159 1.944 0.784 8 2HG MET 1 2HG MET 1 -13.141 3.494 1.620 9 1HE MET 1 1HE MET 1 -15.086 5.162 1.602 10 2HE MET 1 2HE MET 1 -16.705 4.545 1.940 11 3HE MET 1 3HE MET 1 -15.350 4.072 2.965 12 H GLN 2 H GLN 2 -10.472 3.460 -2.591 13 HA GLN 2 HA GLN 2 -9.066 1.044 -1.689 14 1HB GLN 2 1HB GLN 2 -9.135 2.161 -4.459 15 2HB GLN 2 2HB GLN 2 -7.566 1.636 -3.867 16 1HG GLN 2 1HG GLN 2 -8.174 -0.575 -3.793 17 2HG GLN 2 2HG GLN 2 -9.889 -0.215 -3.601 18 2HE2 GLN 2 2HE2 GLN 2 -7.259 -0.624 -5.900 19 1HE2 GLN 2 1HE2 GLN 2 -8.255 -0.654 -7.311 20 H ILE 3 H ILE 3 -7.316 1.399 -0.511 21 HA ILE 3 HA ILE 3 -6.029 4.028 -0.487 22 HB ILE 3 HB ILE 3 -7.706 3.724 1.388 23 1HG1 ILE 3 1HG1 ILE 3 -5.491 4.411 3.090 24 2HG1 ILE 3 2HG1 ILE 3 -5.126 4.965 1.465 25 1HG2 ILE 3 1HG2 ILE 3 -5.861 1.632 2.460 26 2HG2 ILE 3 2HG2 ILE 3 -6.825 2.628 3.553 27 3HG2 ILE 3 3HG2 ILE 3 -7.620 1.637 2.330 28 1HD1 ILE 3 1HD1 ILE 3 -7.821 5.598 2.519 29 2HD1 ILE 3 2HD1 ILE 3 -6.445 6.445 3.230 30 3HD1 ILE 3 3HD1 ILE 3 -6.743 6.548 1.494 31 H PHE 4 H PHE 4 -3.991 3.982 -1.043 32 HA PHE 4 HA PHE 4 -2.374 1.526 -0.878 33 1HB PHE 4 1HB PHE 4 -2.695 3.652 -2.904 34 2HB PHE 4 2HB PHE 4 -1.029 3.188 -2.624 35 HD1 PHE 4 HD1 PHE 4 -4.448 1.974 -3.952 36 HD2 PHE 4 HD2 PHE 4 -0.074 0.987 -3.445 37 HE1 PHE 4 HE1 PHE 4 -4.685 0.034 -5.638 38 HE2 PHE 4 HE2 PHE 4 -0.331 -0.964 -5.127 39 HZ PHE 4 HZ PHE 4 -2.631 -1.439 -6.230 40 H VAL 5 H VAL 5 -0.325 1.442 -0.085 41 HA VAL 5 HA VAL 5 0.960 3.798 1.104 42 HB VAL 5 HB VAL 5 1.738 2.357 3.119 43 1HG1 VAL 5 1HG1 VAL 5 0.298 4.297 3.307 44 2HG1 VAL 5 2HG1 VAL 5 -1.122 3.285 3.045 45 3HG1 VAL 5 3HG1 VAL 5 -0.133 3.060 4.487 46 1HG2 VAL 5 1HG2 VAL 5 -0.771 0.742 2.519 47 2HG2 VAL 5 2HG2 VAL 5 0.881 0.126 2.564 48 3HG2 VAL 5 3HG2 VAL 5 0.120 0.710 4.044 49 H LYS 6 H LYS 6 3.084 4.007 0.823 50 HA LYS 6 HA LYS 6 4.641 1.808 -0.389 51 1HB LYS 6 1HB LYS 6 3.929 4.143 -1.628 52 2HB LYS 6 2HB LYS 6 5.506 4.575 -0.987 53 1HG LYS 6 1HG LYS 6 6.632 3.077 -2.330 54 2HG LYS 6 2HG LYS 6 5.236 2.017 -2.510 55 1HD LYS 6 1HD LYS 6 4.322 3.264 -4.217 56 2HD LYS 6 2HD LYS 6 5.082 4.767 -3.687 57 1HE LYS 6 1HE LYS 6 7.211 4.056 -4.542 58 2HE LYS 6 2HE LYS 6 6.581 2.450 -4.906 59 1HZ LYS 6 1HZ LYS 6 5.075 3.471 -6.523 60 2HZ LYS 6 2HZ LYS 6 5.747 4.990 -6.200 61 3HZ LYS 6 3HZ LYS 6 6.695 3.777 -6.900 62 H THR 7 H THR 7 6.746 1.453 0.169 63 HA THR 7 HA THR 7 7.943 2.875 2.479 64 HB THR 7 HB THR 7 9.108 0.613 2.967 65 HG1 THR 7 HG1 THR 7 6.885 -0.324 1.458 66 1HG2 THR 7 1HG2 THR 7 6.273 1.289 3.624 67 2HG2 THR 7 2HG2 THR 7 6.930 -0.265 4.140 68 3HG2 THR 7 3HG2 THR 7 7.690 1.235 4.672 69 H LEU 8 H LEU 8 10.169 3.215 2.532 70 HA LEU 8 HA LEU 8 11.572 3.650 0.080 71 1HB LEU 8 1HB LEU 8 11.786 4.473 2.784 72 2HB LEU 8 2HB LEU 8 13.331 3.765 2.369 73 HG LEU 8 HG LEU 8 12.727 5.476 0.192 74 1HD1 LEU 8 1HD1 LEU 8 12.069 6.852 2.795 75 2HD1 LEU 8 2HD1 LEU 8 12.428 7.688 1.282 76 3HD1 LEU 8 3HD1 LEU 8 11.012 6.642 1.397 77 1HD2 LEU 8 1HD2 LEU 8 14.955 5.043 1.163 78 2HD2 LEU 8 2HD2 LEU 8 14.640 6.759 0.900 79 3HD2 LEU 8 3HD2 LEU 8 14.539 6.083 2.525 80 H ASP 9 H ASP 9 11.478 0.827 2.114 81 HA ASP 9 HA ASP 9 14.029 -0.381 1.541 82 1HB ASP 9 1HB ASP 9 11.544 -1.256 2.948 83 2HB ASP 9 2HB ASP 9 12.650 -2.506 2.396 84 H GLY 10 H GLY 10 10.755 -0.730 0.101 85 1HA GLY 10 2HA GLY 10 11.810 -2.451 -2.083 86 2HA GLY 10 1HA GLY 10 10.722 -1.107 -2.377 87 H LYS 11 H LYS 11 8.697 -1.311 -0.651 88 HA LYS 11 HA LYS 11 7.307 -3.819 -1.336 89 1HB LYS 11 1HB LYS 11 7.651 -2.711 1.445 90 2HB LYS 11 2HB LYS 11 6.202 -3.611 1.041 91 1HG LYS 11 1HG LYS 11 7.237 -5.569 1.283 92 2HG LYS 11 2HG LYS 11 8.534 -5.100 0.196 93 1HD LYS 11 1HD LYS 11 9.938 -5.086 1.938 94 2HD LYS 11 2HD LYS 11 9.067 -3.711 2.605 95 1HE LYS 11 1HE LYS 11 7.473 -5.615 3.532 96 2HE LYS 11 2HE LYS 11 8.918 -6.604 3.328 97 1HZ LYS 11 1HZ LYS 11 8.749 -4.098 4.912 98 2HZ LYS 11 2HZ LYS 11 8.781 -5.664 5.550 99 3HZ LYS 11 3HZ LYS 11 10.131 -5.059 4.730 100 H THR 12 H THR 12 5.118 -3.687 -1.727 101 HA THR 12 HA THR 12 3.635 -1.172 -1.381 102 HB THR 12 HB THR 12 2.579 -1.575 -3.724 103 HG1 THR 12 HG1 THR 12 3.897 -2.593 -5.229 104 1HG2 THR 12 1HG2 THR 12 4.125 0.333 -3.020 105 2HG2 THR 12 2HG2 THR 12 5.412 -0.564 -3.827 106 3HG2 THR 12 3HG2 THR 12 4.014 -0.010 -4.747 107 H ILE 13 H ILE 13 1.673 -1.444 -0.556 108 HA ILE 13 HA ILE 13 0.040 -3.827 -0.950 109 HB ILE 13 HB ILE 13 -0.490 -4.065 1.552 110 1HG1 ILE 13 1HG1 ILE 13 2.216 -3.488 2.563 111 2HG1 ILE 13 2HG1 ILE 13 1.474 -2.019 1.953 112 1HG2 ILE 13 1HG2 ILE 13 2.154 -5.045 0.491 113 2HG2 ILE 13 2HG2 ILE 13 1.329 -5.699 1.906 114 3HG2 ILE 13 3HG2 ILE 13 0.572 -5.810 0.315 115 1HD1 ILE 13 1HD1 ILE 13 0.171 -3.830 3.971 116 2HD1 ILE 13 2HD1 ILE 13 1.152 -2.423 4.389 117 3HD1 ILE 13 3HD1 ILE 13 -0.349 -2.216 3.484 118 H THR 14 H THR 14 -2.137 -3.591 -0.789 119 HA THR 14 HA THR 14 -3.251 -1.003 0.042 120 HB THR 14 HB THR 14 -3.219 -0.875 -2.379 121 HG1 THR 14 HG1 THR 14 -5.224 -0.128 -2.602 122 1HG2 THR 14 1HG2 THR 14 -3.328 -3.257 -3.081 123 2HG2 THR 14 2HG2 THR 14 -5.027 -3.306 -2.604 124 3HG2 THR 14 3HG2 THR 14 -4.512 -2.249 -3.920 125 H LEU 15 H LEU 15 -5.304 -0.895 0.929 126 HA LEU 15 HA LEU 15 -6.519 -3.398 1.911 127 1HB LEU 15 1HB LEU 15 -5.210 -1.564 3.455 128 2HB LEU 15 2HB LEU 15 -6.855 -0.976 3.570 129 HG LEU 15 HG LEU 15 -6.925 -3.825 4.029 130 1HD1 LEU 15 1HD1 LEU 15 -4.868 -2.413 5.719 131 2HD1 LEU 15 2HD1 LEU 15 -5.573 -3.989 6.080 132 3HD1 LEU 15 3HD1 LEU 15 -4.595 -3.771 4.628 133 1HD2 LEU 15 1HD2 LEU 15 -8.510 -2.116 4.904 134 2HD2 LEU 15 2HD2 LEU 15 -7.930 -3.249 6.124 135 3HD2 LEU 15 3HD2 LEU 15 -7.269 -1.616 6.052 136 H GLU 16 H GLU 16 -8.655 -3.700 1.720 137 HA GLU 16 HA GLU 16 -10.449 -1.540 0.800 138 1HB GLU 16 1HB GLU 16 -9.897 -4.184 -0.481 139 2HB GLU 16 2HB GLU 16 -11.549 -3.589 -0.528 140 1HG GLU 16 1HG GLU 16 -10.639 -1.462 -1.536 141 2HG GLU 16 2HG GLU 16 -9.088 -2.284 -1.683 142 H VAL 17 H VAL 17 -12.564 -1.542 1.490 143 HA VAL 17 HA VAL 17 -13.300 -3.348 3.699 144 HB VAL 17 HB VAL 17 -15.140 -1.614 4.256 145 1HG1 VAL 17 1HG1 VAL 17 -13.070 -2.076 5.551 146 2HG1 VAL 17 2HG1 VAL 17 -12.324 -0.699 4.740 147 3HG1 VAL 17 3HG1 VAL 17 -13.739 -0.458 5.765 148 1HG2 VAL 17 1HG2 VAL 17 -15.010 -0.127 2.268 149 2HG2 VAL 17 2HG2 VAL 17 -14.732 0.754 3.769 150 3HG2 VAL 17 3HG2 VAL 17 -13.369 0.333 2.731 No H/Q in entry = 150 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -13.909 0.652 -1.995 2 H2 MET 1 H2 MET 1 -13.891 0.377 -0.325 3 H3 MET 1 H3 MET 1 -14.862 1.601 -0.970 4 HA MET 1 HA MET 1 -12.974 2.869 -1.634 5 1HB MET 1 1HB MET 1 -13.854 2.470 0.943 6 2HB MET 1 2HB MET 1 -12.128 2.202 1.127 7 1HG MET 1 1HG MET 1 -11.612 4.378 0.803 8 2HG MET 1 2HG MET 1 -12.921 4.644 -0.348 9 1HE MET 1 1HE MET 1 -11.758 4.284 3.180 10 2HE MET 1 2HE MET 1 -11.851 6.043 3.066 11 3HE MET 1 3HE MET 1 -12.922 5.172 4.164 12 H GLN 2 H GLN 2 -10.830 3.141 -2.102 13 HA GLN 2 HA GLN 2 -8.901 0.967 -1.656 14 1HB GLN 2 1HB GLN 2 -9.643 2.221 -4.278 15 2HB GLN 2 2HB GLN 2 -7.956 1.794 -4.013 16 1HG GLN 2 1HG GLN 2 -8.445 -0.491 -3.816 17 2HG GLN 2 2HG GLN 2 -10.168 -0.193 -3.598 18 2HE2 GLN 2 2HE2 GLN 2 -7.554 -0.472 -5.930 19 1HE2 GLN 2 1HE2 GLN 2 -8.563 -0.500 -7.332 20 H ILE 3 H ILE 3 -7.044 1.532 -0.812 21 HA ILE 3 HA ILE 3 -5.844 4.163 -1.059 22 HB ILE 3 HB ILE 3 -5.361 4.258 1.511 23 1HG1 ILE 3 2HG1 ILE 3 -8.024 3.435 2.379 24 2HG1 ILE 3 1HG1 ILE 3 -7.246 2.067 1.604 25 1HG2 ILE 3 1HG2 ILE 3 -6.565 5.940 0.228 26 2HG2 ILE 3 2HG2 ILE 3 -8.076 5.063 0.477 27 3HG2 ILE 3 3HG2 ILE 3 -7.230 5.772 1.852 28 1HD1 ILE 3 1HD1 ILE 3 -5.932 3.637 3.796 29 2HD1 ILE 3 2HD1 ILE 3 -6.991 2.259 4.095 30 3HD1 ILE 3 3HD1 ILE 3 -5.499 2.042 3.179 31 H PHE 4 H PHE 4 -3.805 4.030 -1.474 32 HA PHE 4 HA PHE 4 -2.319 1.532 -1.079 33 1HB PHE 4 1HB PHE 4 -2.403 3.632 -3.154 34 2HB PHE 4 2HB PHE 4 -0.785 3.088 -2.768 35 HD1 PHE 4 HD1 PHE 4 -4.187 2.014 -4.266 36 HD2 PHE 4 HD2 PHE 4 0.104 0.840 -3.506 37 HE1 PHE 4 HE1 PHE 4 -4.425 0.050 -5.922 38 HE2 PHE 4 HE2 PHE 4 -0.147 -1.117 -5.180 39 HZ PHE 4 HZ PHE 4 -2.408 -1.516 -6.391 40 H VAL 5 H VAL 5 -0.320 1.353 -0.169 41 HA VAL 5 HA VAL 5 1.004 3.663 1.062 42 HB VAL 5 HB VAL 5 1.619 2.211 3.126 43 1HG1 VAL 5 1HG1 VAL 5 0.240 4.209 3.212 44 2HG1 VAL 5 2HG1 VAL 5 -1.199 3.237 2.907 45 3HG1 VAL 5 3HG1 VAL 5 -0.278 3.006 4.393 46 1HG2 VAL 5 1HG2 VAL 5 0.563 0.033 2.326 47 2HG2 VAL 5 2HG2 VAL 5 0.129 0.530 3.961 48 3HG2 VAL 5 3HG2 VAL 5 -1.008 0.772 2.632 49 H LYS 6 H LYS 6 3.111 3.818 0.767 50 HA LYS 6 HA LYS 6 4.724 1.512 -0.131 51 1HB LYS 6 1HB LYS 6 3.903 3.514 -1.819 52 2HB LYS 6 2HB LYS 6 5.451 4.146 -1.285 53 1HG LYS 6 1HG LYS 6 6.570 2.130 -2.076 54 2HG LYS 6 2HG LYS 6 5.020 1.447 -2.570 55 1HD LYS 6 1HD LYS 6 4.811 2.851 -4.387 56 2HD LYS 6 2HD LYS 6 5.803 4.122 -3.668 57 1HE LYS 6 1HE LYS 6 7.806 2.987 -4.179 58 2HE LYS 6 2HE LYS 6 6.959 1.479 -4.527 59 1HZ LYS 6 1HZ LYS 6 6.648 3.956 -6.133 60 2HZ LYS 6 2HZ LYS 6 7.723 2.708 -6.523 61 3HZ LYS 6 3HZ LYS 6 6.058 2.415 -6.506 62 H THR 7 H THR 7 6.846 1.380 0.495 63 HA THR 7 HA THR 7 7.977 3.412 2.300 64 HB THR 7 HB THR 7 7.211 1.652 3.789 65 HG1 THR 7 HG1 THR 7 8.990 1.576 4.988 66 1HG2 THR 7 1HG2 THR 7 8.508 -0.289 1.974 67 2HG2 THR 7 2HG2 THR 7 8.761 -0.579 3.695 68 3HG2 THR 7 3HG2 THR 7 7.122 -0.493 3.046 69 H LEU 8 H LEU 8 10.325 3.455 2.556 70 HA LEU 8 HA LEU 8 11.773 3.596 0.097 71 1HB LEU 8 1HB LEU 8 12.062 4.544 2.769 72 2HB LEU 8 2HB LEU 8 13.556 3.736 2.350 73 HG LEU 8 HG LEU 8 12.958 5.390 0.115 74 1HD1 LEU 8 1HD1 LEU 8 12.530 6.900 2.688 75 2HD1 LEU 8 2HD1 LEU 8 12.854 7.650 1.125 76 3HD1 LEU 8 3HD1 LEU 8 11.385 6.702 1.361 77 1HD2 LEU 8 1HD2 LEU 8 15.197 4.822 1.054 78 2HD2 LEU 8 2HD2 LEU 8 14.995 6.521 0.631 79 3HD2 LEU 8 3HD2 LEU 8 14.914 6.018 2.319 80 H ASP 9 H ASP 9 11.443 0.933 2.306 81 HA ASP 9 HA ASP 9 13.890 -0.515 1.860 82 1HB ASP 9 1HB ASP 9 11.272 -1.185 3.176 83 2HB ASP 9 2HB ASP 9 12.434 -2.465 2.847 84 H GLY 10 H GLY 10 10.648 -0.643 0.336 85 1HA GLY 10 2HA GLY 10 11.605 -2.550 -1.734 86 2HA GLY 10 1HA GLY 10 10.575 -1.175 -2.086 87 H LYS 11 H LYS 11 8.460 -1.143 -0.682 88 HA LYS 11 HA LYS 11 7.075 -3.733 -0.981 89 1HB LYS 11 1HB LYS 11 7.142 -2.024 1.490 90 2HB LYS 11 2HB LYS 11 5.704 -2.955 1.131 91 1HG LYS 11 1HG LYS 11 6.976 -5.014 1.228 92 2HG LYS 11 2HG LYS 11 8.468 -4.102 1.483 93 1HD LYS 11 1HD LYS 11 7.271 -3.108 3.541 94 2HD LYS 11 2HD LYS 11 6.121 -4.433 3.338 95 1HE LYS 11 1HE LYS 11 8.165 -5.967 3.370 96 2HE LYS 11 2HE LYS 11 9.051 -4.563 3.970 97 1HZ LYS 11 1HZ LYS 11 7.461 -4.436 5.813 98 2HZ LYS 11 2HZ LYS 11 6.696 -5.837 5.254 99 3HZ LYS 11 3HZ LYS 11 8.295 -5.908 5.799 100 H THR 12 H THR 12 4.955 -3.681 -1.669 101 HA THR 12 HA THR 12 3.444 -1.204 -1.945 102 HB THR 12 HB THR 12 2.770 -1.887 -4.371 103 HG1 THR 12 HG1 THR 12 5.308 -3.174 -4.186 104 1HG2 THR 12 1HG2 THR 12 4.237 0.108 -3.577 105 2HG2 THR 12 2HG2 THR 12 5.571 -0.827 -4.252 106 3HG2 THR 12 3HG2 THR 12 4.234 -0.328 -5.287 107 H ILE 13 H ILE 13 1.628 -1.549 -0.947 108 HA ILE 13 HA ILE 13 -0.114 -3.830 -1.456 109 HB ILE 13 HB ILE 13 -0.597 -4.193 1.058 110 1HG1 ILE 13 1HG1 ILE 13 2.205 -3.859 1.945 111 2HG1 ILE 13 2HG1 ILE 13 1.490 -2.313 1.520 112 1HG2 ILE 13 1HG2 ILE 13 1.908 -5.292 -0.203 113 2HG2 ILE 13 2HG2 ILE 13 1.117 -5.976 1.217 114 3HG2 ILE 13 3HG2 ILE 13 0.268 -5.928 -0.329 115 1HD1 ILE 13 1HD1 ILE 13 0.157 -4.220 3.418 116 2HD1 ILE 13 2HD1 ILE 13 1.343 -3.026 3.945 117 3HD1 ILE 13 3HD1 ILE 13 -0.162 -2.500 3.187 118 H THR 14 H THR 14 -2.268 -3.509 -1.229 119 HA THR 14 HA THR 14 -3.223 -0.893 -0.275 120 HB THR 14 HB THR 14 -3.418 -0.751 -2.672 121 HG1 THR 14 HG1 THR 14 -5.110 0.279 -1.837 122 1HG2 THR 14 1HG2 THR 14 -3.617 -3.262 -3.201 123 2HG2 THR 14 2HG2 THR 14 -5.345 -3.065 -2.906 124 3HG2 THR 14 3HG2 THR 14 -4.559 -2.142 -4.188 125 H LEU 15 H LEU 15 -5.146 -0.686 0.793 126 HA LEU 15 HA LEU 15 -6.328 -3.111 1.987 127 1HB LEU 15 1HB LEU 15 -5.022 -1.114 3.296 128 2HB LEU 15 2HB LEU 15 -6.664 -0.509 3.372 129 HG LEU 15 HG LEU 15 -6.704 -3.296 4.154 130 1HD1 LEU 15 1HD1 LEU 15 -4.687 -1.658 5.680 131 2HD1 LEU 15 2HD1 LEU 15 -5.344 -3.213 6.193 132 3HD1 LEU 15 3HD1 LEU 15 -4.366 -3.108 4.729 133 1HD2 LEU 15 1HD2 LEU 15 -8.297 -1.469 4.815 134 2HD2 LEU 15 2HD2 LEU 15 -7.761 -2.516 6.129 135 3HD2 LEU 15 3HD2 LEU 15 -7.068 -0.904 5.948 136 H GLU 16 H GLU 16 -8.416 -3.539 1.721 137 HA GLU 16 HA GLU 16 -10.289 -1.524 0.632 138 1HB GLU 16 1HB GLU 16 -9.633 -4.261 -0.387 139 2HB GLU 16 2HB GLU 16 -11.289 -3.697 -0.544 140 1HG GLU 16 1HG GLU 16 -10.260 -1.611 -1.655 141 2HG GLU 16 2HG GLU 16 -8.796 -2.581 -1.802 142 H VAL 17 H VAL 17 -12.407 -1.538 1.280 143 HA VAL 17 HA VAL 17 -13.338 -3.481 3.290 144 HB VAL 17 HB VAL 17 -14.619 -1.581 4.491 145 1HG1 VAL 17 1HG1 VAL 17 -12.752 -2.896 5.421 146 2HG1 VAL 17 2HG1 VAL 17 -11.644 -1.631 4.893 147 3HG1 VAL 17 3HG1 VAL 17 -12.887 -1.270 6.090 148 1HG2 VAL 17 1HG2 VAL 17 -12.455 0.206 3.317 149 2HG2 VAL 17 2HG2 VAL 17 -14.189 0.358 3.036 150 3HG2 VAL 17 3HG2 VAL 17 -13.531 0.639 4.648 No H/Q in entry = 150 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -14.290 1.161 -2.900 2 H2 MET 1 H2 MET 1 -15.038 1.506 -1.424 3 H3 MET 1 H3 MET 1 -15.360 2.465 -2.781 4 HA MET 1 HA MET 1 -13.324 3.476 -2.768 5 1HB MET 1 1HB MET 1 -12.949 4.317 -0.413 6 2HB MET 1 2HB MET 1 -14.580 4.484 -1.011 7 1HG MET 1 1HG MET 1 -13.869 2.189 0.805 8 2HG MET 1 2HG MET 1 -14.158 3.795 1.468 9 1HE MET 1 1HE MET 1 -16.287 5.142 1.106 10 2HE MET 1 2HE MET 1 -17.844 4.339 1.320 11 3HE MET 1 3HE MET 1 -16.579 4.147 2.534 12 H GLN 2 H GLN 2 -11.148 3.490 -2.756 13 HA GLN 2 HA GLN 2 -9.607 1.335 -1.472 14 1HB GLN 2 1HB GLN 2 -9.833 1.914 -4.367 15 2HB GLN 2 2HB GLN 2 -8.185 1.739 -3.790 16 1HG GLN 2 1HG GLN 2 -8.380 -0.482 -3.480 17 2HG GLN 2 2HG GLN 2 -10.050 -0.376 -2.925 18 2HE2 GLN 2 2HE2 GLN 2 -7.946 -0.738 -5.716 19 1HE2 GLN 2 1HE2 GLN 2 -9.197 -1.155 -6.834 20 H ILE 3 H ILE 3 -7.611 1.814 -0.700 21 HA ILE 3 HA ILE 3 -6.371 4.422 -1.115 22 HB ILE 3 HB ILE 3 -5.741 4.519 1.369 23 1HG1 ILE 3 1HG1 ILE 3 -6.635 2.420 2.319 24 2HG1 ILE 3 2HG1 ILE 3 -7.300 3.797 3.146 25 1HG2 ILE 3 1HG2 ILE 3 -7.122 6.127 0.074 26 2HG2 ILE 3 2HG2 ILE 3 -8.548 5.396 0.814 27 3HG2 ILE 3 3HG2 ILE 3 -7.324 6.163 1.826 28 1HD1 ILE 3 1HD1 ILE 3 -9.370 3.140 1.447 29 2HD1 ILE 3 2HD1 ILE 3 -8.654 1.561 1.764 30 3HD1 ILE 3 3HD1 ILE 3 -9.209 2.565 3.105 31 H PHE 4 H PHE 4 -4.327 4.324 -1.564 32 HA PHE 4 HA PHE 4 -2.824 1.812 -1.377 33 1HB PHE 4 1HB PHE 4 -2.942 4.098 -3.215 34 2HB PHE 4 2HB PHE 4 -1.302 3.605 -2.863 35 HD1 PHE 4 HD1 PHE 4 -4.655 2.424 -4.428 36 HD2 PHE 4 HD2 PHE 4 -0.249 1.617 -3.915 37 HE1 PHE 4 HE1 PHE 4 -4.757 0.661 -6.318 38 HE2 PHE 4 HE2 PHE 4 -0.358 -0.135 -5.820 39 HZ PHE 4 HZ PHE 4 -2.605 -0.612 -7.026 40 H VAL 5 H VAL 5 -0.781 1.552 -0.523 41 HA VAL 5 HA VAL 5 0.596 3.709 0.893 42 HB VAL 5 HB VAL 5 1.097 2.141 2.902 43 1HG1 VAL 5 1HG1 VAL 5 -0.131 4.202 3.101 44 2HG1 VAL 5 2HG1 VAL 5 -1.629 3.385 2.655 45 3HG1 VAL 5 3HG1 VAL 5 -0.815 2.971 4.163 46 1HG2 VAL 5 1HG2 VAL 5 -0.005 0.042 2.102 47 2HG2 VAL 5 2HG2 VAL 5 -0.612 0.580 3.667 48 3HG2 VAL 5 3HG2 VAL 5 -1.569 0.851 2.212 49 H LYS 6 H LYS 6 2.759 3.697 0.811 50 HA LYS 6 HA LYS 6 4.200 1.368 -0.298 51 1HB LYS 6 1HB LYS 6 3.746 3.739 -1.638 52 2HB LYS 6 2HB LYS 6 5.344 4.004 -0.959 53 1HG LYS 6 1HG LYS 6 6.298 2.257 -2.173 54 2HG LYS 6 2HG LYS 6 4.739 1.494 -2.488 55 1HD LYS 6 1HD LYS 6 4.167 3.074 -4.129 56 2HD LYS 6 2HD LYS 6 5.408 4.211 -3.596 57 1HE LYS 6 1HE LYS 6 7.145 2.868 -4.496 58 2HE LYS 6 2HE LYS 6 6.052 1.510 -4.758 59 1HZ LYS 6 1HZ LYS 6 5.892 4.120 -6.166 60 2HZ LYS 6 2HZ LYS 6 6.562 2.706 -6.812 61 3HZ LYS 6 3HZ LYS 6 4.911 2.772 -6.449 62 H THR 7 H THR 7 6.251 0.897 0.407 63 HA THR 7 HA THR 7 7.251 2.188 2.880 64 HB THR 7 HB THR 7 8.584 -0.017 3.137 65 HG1 THR 7 HG1 THR 7 8.084 -1.666 1.896 66 1HG2 THR 7 1HG2 THR 7 5.650 0.305 3.617 67 2HG2 THR 7 2HG2 THR 7 6.424 -1.237 3.981 68 3HG2 THR 7 3HG2 THR 7 6.980 0.237 4.775 69 H LEU 8 H LEU 8 9.427 2.682 3.197 70 HA LEU 8 HA LEU 8 10.985 3.638 1.006 71 1HB LEU 8 1HB LEU 8 11.356 3.519 3.995 72 2HB LEU 8 2HB LEU 8 12.749 3.884 3.030 73 HG LEU 8 HG LEU 8 11.879 5.892 4.068 74 1HD1 LEU 8 1HD1 LEU 8 11.418 6.092 1.107 75 2HD1 LEU 8 2HD1 LEU 8 11.538 7.462 2.210 76 3HD1 LEU 8 3HD1 LEU 8 12.917 6.383 1.989 77 1HD2 LEU 8 1HD2 LEU 8 9.219 5.465 2.714 78 2HD2 LEU 8 2HD2 LEU 8 9.560 5.417 4.445 79 3HD2 LEU 8 3HD2 LEU 8 9.702 6.935 3.561 80 H ASP 9 H ASP 9 11.011 0.512 2.577 81 HA ASP 9 HA ASP 9 13.700 -0.363 2.040 82 1HB ASP 9 1HB ASP 9 11.625 -1.295 3.627 83 2HB ASP 9 2HB ASP 9 11.763 -2.529 2.381 84 H GLY 10 H GLY 10 10.597 -0.756 0.287 85 1HA GLY 10 2HA GLY 10 11.964 -2.042 -2.020 86 2HA GLY 10 1HA GLY 10 10.754 -0.785 -2.204 87 H LYS 11 H LYS 11 8.688 -1.487 -0.617 88 HA LYS 11 HA LYS 11 7.614 -3.971 -1.784 89 1HB LYS 11 1HB LYS 11 8.031 -3.432 1.081 90 2HB LYS 11 2HB LYS 11 6.380 -3.883 0.710 91 1HG LYS 11 1HG LYS 11 6.946 -6.025 0.690 92 2HG LYS 11 2HG LYS 11 8.040 -5.742 -0.655 93 1HD LYS 11 1HD LYS 11 9.773 -6.263 0.660 94 2HD LYS 11 2HD LYS 11 9.427 -4.869 1.674 95 1HE LYS 11 1HE LYS 11 9.353 -6.529 3.247 96 2HE LYS 11 2HE LYS 11 7.661 -6.535 2.750 97 1HZ LYS 11 1HZ LYS 11 8.210 -8.358 1.207 98 2HZ LYS 11 2HZ LYS 11 9.789 -8.387 1.815 99 3HZ LYS 11 3HZ LYS 11 8.487 -8.772 2.823 100 H THR 12 H THR 12 5.436 -3.992 -2.304 101 HA THR 12 HA THR 12 3.779 -1.601 -1.809 102 HB THR 12 HB THR 12 2.778 -1.971 -4.175 103 HG1 THR 12 HG1 THR 12 5.323 -3.204 -4.534 104 1HG2 THR 12 1HG2 THR 12 4.158 0.001 -3.448 105 2HG2 THR 12 2HG2 THR 12 5.568 -0.825 -4.114 106 3HG2 THR 12 3HG2 THR 12 4.233 -0.366 -5.171 107 H ILE 13 H ILE 13 1.822 -1.945 -1.060 108 HA ILE 13 HA ILE 13 0.206 -4.300 -1.557 109 HB ILE 13 HB ILE 13 -0.328 -4.650 0.953 110 1HG1 ILE 13 1HG1 ILE 13 2.410 -4.316 1.954 111 2HG1 ILE 13 2HG1 ILE 13 1.802 -2.763 1.403 112 1HG2 ILE 13 1HG2 ILE 13 2.219 -5.705 -0.251 113 2HG2 ILE 13 2HG2 ILE 13 1.420 -6.388 1.166 114 3HG2 ILE 13 3HG2 ILE 13 0.595 -6.377 -0.394 115 1HD1 ILE 13 1HD1 ILE 13 0.362 -4.535 3.363 116 2HD1 ILE 13 2HD1 ILE 13 1.443 -3.217 3.818 117 3HD1 ILE 13 3HD1 ILE 13 -0.042 -2.873 2.929 118 H THR 14 H THR 14 -1.952 -3.973 -1.497 119 HA THR 14 HA THR 14 -2.968 -1.254 -1.193 120 HB THR 14 HB THR 14 -5.192 -2.301 -1.962 121 HG1 THR 14 HG1 THR 14 -5.162 -4.408 -2.069 122 1HG2 THR 14 1HG2 THR 14 -3.342 -1.117 -3.408 123 2HG2 THR 14 2HG2 THR 14 -3.221 -2.723 -4.129 124 3HG2 THR 14 3HG2 THR 14 -4.766 -1.868 -4.128 125 H LEU 15 H LEU 15 -4.551 -0.508 0.159 126 HA LEU 15 HA LEU 15 -5.345 -2.155 2.465 127 1HB LEU 15 1HB LEU 15 -3.946 0.167 2.600 128 2HB LEU 15 2HB LEU 15 -5.570 0.820 2.616 129 HG LEU 15 HG LEU 15 -5.442 -1.345 4.540 130 1HD1 LEU 15 1HD1 LEU 15 -3.280 0.723 4.884 131 2HD1 LEU 15 2HD1 LEU 15 -3.847 -0.366 6.150 132 3HD1 LEU 15 3HD1 LEU 15 -3.071 -1.020 4.707 133 1HD2 LEU 15 1HD2 LEU 15 -7.034 0.535 4.600 134 2HD2 LEU 15 2HD2 LEU 15 -6.166 0.333 6.124 135 3HD2 LEU 15 3HD2 LEU 15 -5.710 1.623 5.012 136 H GLU 16 H GLU 16 -7.274 -2.985 2.187 137 HA GLU 16 HA GLU 16 -9.493 -1.455 0.978 138 1HB GLU 16 1HB GLU 16 -8.420 -4.143 0.260 139 2HB GLU 16 2HB GLU 16 -10.168 -3.956 0.225 140 1HG GLU 16 1HG GLU 16 -9.597 -1.830 -1.213 141 2HG GLU 16 2HG GLU 16 -8.077 -2.676 -1.485 142 H VAL 17 H VAL 17 -11.552 -1.699 1.782 143 HA VAL 17 HA VAL 17 -11.873 -3.035 4.389 144 HB VAL 17 HB VAL 17 -14.021 -1.613 4.642 145 1HG1 VAL 17 1HG1 VAL 17 -12.020 -1.293 5.963 146 2HG1 VAL 17 2HG1 VAL 17 -11.360 -0.215 4.732 147 3HG1 VAL 17 3HG1 VAL 17 -12.812 0.245 5.621 148 1HG2 VAL 17 1HG2 VAL 17 -14.151 -0.680 2.299 149 2HG2 VAL 17 2HG2 VAL 17 -14.205 0.545 3.569 150 3HG2 VAL 17 3HG2 VAL 17 -12.718 0.284 2.657 No H/Q in entry = 150 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -14.143 0.185 -2.029 2 H2 MET 1 H2 MET 1 -14.043 -0.016 -0.352 3 H3 MET 1 H3 MET 1 -15.144 1.087 -1.008 4 HA MET 1 HA MET 1 -13.384 2.474 -1.815 5 1HB MET 1 1HB MET 1 -14.207 2.178 0.787 6 2HB MET 1 2HB MET 1 -12.463 2.055 0.972 7 1HG MET 1 1HG MET 1 -12.110 4.241 0.388 8 2HG MET 1 2HG MET 1 -13.559 4.328 -0.614 9 1HE MET 1 1HE MET 1 -15.981 4.366 0.359 10 2HE MET 1 2HE MET 1 -16.286 5.556 1.627 11 3HE MET 1 3HE MET 1 -15.388 6.020 0.180 12 H GLN 2 H GLN 2 -11.268 2.923 -2.300 13 HA GLN 2 HA GLN 2 -9.156 0.945 -1.775 14 1HB GLN 2 1HB GLN 2 -10.062 1.969 -4.433 15 2HB GLN 2 2HB GLN 2 -8.330 1.801 -4.192 16 1HG GLN 2 1HG GLN 2 -8.462 -0.509 -3.918 17 2HG GLN 2 2HG GLN 2 -10.196 -0.466 -3.602 18 2HE2 GLN 2 2HE2 GLN 2 -7.705 -0.449 -6.081 19 1HE2 GLN 2 1HE2 GLN 2 -8.775 -0.694 -7.416 20 H ILE 3 H ILE 3 -7.341 1.704 -0.987 21 HA ILE 3 HA ILE 3 -6.353 4.399 -1.376 22 HB ILE 3 HB ILE 3 -5.869 4.678 1.182 23 1HG1 ILE 3 1HG1 ILE 3 -8.474 3.716 2.098 24 2HG1 ILE 3 2HG1 ILE 3 -7.581 2.368 1.418 25 1HG2 ILE 3 1HG2 ILE 3 -7.275 6.110 -0.309 26 2HG2 ILE 3 2HG2 ILE 3 -8.686 5.230 0.279 27 3HG2 ILE 3 3HG2 ILE 3 -7.700 6.166 1.403 28 1HD1 ILE 3 1HD1 ILE 3 -6.378 4.172 3.486 29 2HD1 ILE 3 2HD1 ILE 3 -7.385 2.787 3.907 30 3HD1 ILE 3 3HD1 ILE 3 -5.882 2.546 3.014 31 H PHE 4 H PHE 4 -4.336 4.352 -1.852 32 HA PHE 4 HA PHE 4 -2.691 1.965 -1.483 33 1HB PHE 4 1HB PHE 4 -2.808 4.238 -3.367 34 2HB PHE 4 2HB PHE 4 -1.186 3.701 -2.995 35 HD1 PHE 4 HD1 PHE 4 -4.562 2.597 -4.572 36 HD2 PHE 4 HD2 PHE 4 -0.181 1.681 -4.025 37 HE1 PHE 4 HE1 PHE 4 -4.698 0.821 -6.447 38 HE2 PHE 4 HE2 PHE 4 -0.324 -0.085 -5.916 39 HZ PHE 4 HZ PHE 4 -2.577 -0.514 -7.131 40 H VAL 5 H VAL 5 -0.681 1.819 -0.563 41 HA VAL 5 HA VAL 5 0.629 4.060 0.760 42 HB VAL 5 HB VAL 5 1.049 2.662 2.911 43 1HG1 VAL 5 1HG1 VAL 5 -0.181 4.744 2.869 44 2HG1 VAL 5 2HG1 VAL 5 -1.668 3.877 2.488 45 3HG1 VAL 5 3HG1 VAL 5 -0.872 3.621 4.041 46 1HG2 VAL 5 1HG2 VAL 5 -0.031 0.509 2.272 47 2HG2 VAL 5 2HG2 VAL 5 -0.722 1.194 3.745 48 3HG2 VAL 5 3HG2 VAL 5 -1.593 1.324 2.217 49 H LYS 6 H LYS 6 2.785 4.035 0.679 50 HA LYS 6 HA LYS 6 4.207 1.622 -0.269 51 1HB LYS 6 1HB LYS 6 3.875 3.926 -1.694 52 2HB LYS 6 2HB LYS 6 5.399 4.267 -0.893 53 1HG LYS 6 1HG LYS 6 6.468 2.425 -1.923 54 2HG LYS 6 2HG LYS 6 4.937 1.742 -2.470 55 1HD LYS 6 1HD LYS 6 4.763 3.169 -4.249 56 2HD LYS 6 2HD LYS 6 5.617 4.483 -3.441 57 1HE LYS 6 1HE LYS 6 7.730 3.491 -3.874 58 2HE LYS 6 2HE LYS 6 6.991 1.971 -4.377 59 1HZ LYS 6 1HZ LYS 6 6.014 3.167 -6.276 60 2HZ LYS 6 2HZ LYS 6 6.843 4.566 -5.813 61 3HZ LYS 6 3HZ LYS 6 7.707 3.195 -6.297 62 H THR 7 H THR 7 6.219 1.100 0.497 63 HA THR 7 HA THR 7 7.238 2.407 2.954 64 HB THR 7 HB THR 7 8.375 0.093 3.340 65 HG1 THR 7 HG1 THR 7 7.948 -1.190 1.700 66 1HG2 THR 7 1HG2 THR 7 5.479 0.707 3.794 67 2HG2 THR 7 2HG2 THR 7 6.149 -0.844 4.301 68 3HG2 THR 7 3HG2 THR 7 6.806 0.657 4.954 69 H LEU 8 H LEU 8 9.432 2.764 3.260 70 HA LEU 8 HA LEU 8 11.078 3.432 1.027 71 1HB LEU 8 1HB LEU 8 11.366 3.512 3.994 72 2HB LEU 8 2HB LEU 8 12.824 3.670 3.036 73 HG LEU 8 HG LEU 8 10.839 5.462 1.933 74 1HD1 LEU 8 1HD1 LEU 8 9.823 5.318 4.206 75 2HD1 LEU 8 2HD1 LEU 8 11.313 6.004 4.853 76 3HD1 LEU 8 3HD1 LEU 8 10.333 6.935 3.720 77 1HD2 LEU 8 1HD2 LEU 8 13.421 5.981 3.403 78 2HD2 LEU 8 2HD2 LEU 8 13.194 5.840 1.659 79 3HD2 LEU 8 3HD2 LEU 8 12.495 7.204 2.531 80 H ASP 9 H ASP 9 10.778 0.397 2.670 81 HA ASP 9 HA ASP 9 13.378 -0.776 2.345 82 1HB ASP 9 1HB ASP 9 11.210 -1.467 3.814 83 2HB ASP 9 2HB ASP 9 11.040 -2.603 2.482 84 H GLY 10 H GLY 10 10.452 -0.766 0.286 85 1HA GLY 10 2HA GLY 10 11.915 -2.059 -1.951 86 2HA GLY 10 1HA GLY 10 10.701 -0.811 -2.147 87 H LYS 11 H LYS 11 8.567 -1.630 -0.673 88 HA LYS 11 HA LYS 11 7.519 -3.912 -2.153 89 1HB LYS 11 1HB LYS 11 6.393 -4.919 -0.081 90 2HB LYS 11 2HB LYS 11 8.101 -5.223 -0.266 91 1HG LYS 11 1HG LYS 11 8.292 -3.182 1.437 92 2HG LYS 11 2HG LYS 11 6.640 -3.657 1.829 93 1HD LYS 11 1HD LYS 11 7.703 -6.060 2.015 94 2HD LYS 11 2HD LYS 11 9.205 -5.161 2.209 95 1HE LYS 11 1HE LYS 11 8.598 -5.351 4.395 96 2HE LYS 11 2HE LYS 11 7.765 -3.847 4.014 97 1HZ LYS 11 1HZ LYS 11 5.763 -5.236 3.537 98 2HZ LYS 11 2HZ LYS 11 6.593 -6.571 4.163 99 3HZ LYS 11 3HZ LYS 11 6.251 -5.246 5.158 100 H THR 12 H THR 12 5.455 -3.739 -2.818 101 HA THR 12 HA THR 12 3.802 -1.461 -1.886 102 HB THR 12 HB THR 12 2.698 -1.615 -4.230 103 HG1 THR 12 HG1 THR 12 3.631 -2.817 -5.694 104 1HG2 THR 12 1HG2 THR 12 4.106 0.280 -3.447 105 2HG2 THR 12 2HG2 THR 12 5.517 -0.539 -4.116 106 3HG2 THR 12 3HG2 THR 12 4.218 -0.006 -5.184 107 H ILE 13 H ILE 13 1.788 -1.772 -1.200 108 HA ILE 13 HA ILE 13 0.159 -4.105 -1.793 109 HB ILE 13 HB ILE 13 -0.420 -4.519 0.688 110 1HG1 ILE 13 1HG1 ILE 13 2.277 -4.189 1.783 111 2HG1 ILE 13 2HG1 ILE 13 1.690 -2.628 1.233 112 1HG2 ILE 13 1HG2 ILE 13 2.176 -5.520 -0.457 113 2HG2 ILE 13 2HG2 ILE 13 1.327 -6.248 0.908 114 3HG2 ILE 13 3HG2 ILE 13 0.564 -6.200 -0.682 115 1HD1 ILE 13 1HD1 ILE 13 0.235 -4.436 3.149 116 2HD1 ILE 13 2HD1 ILE 13 1.226 -3.050 3.607 117 3HD1 ILE 13 3HD1 ILE 13 -0.248 -2.809 2.668 118 H THR 14 H THR 14 -2.022 -3.818 -1.679 119 HA THR 14 HA THR 14 -3.054 -1.103 -1.374 120 HB THR 14 HB THR 14 -5.276 -2.150 -2.116 121 HG1 THR 14 HG1 THR 14 -3.547 -4.340 -2.718 122 1HG2 THR 14 1HG2 THR 14 -2.906 -1.707 -3.793 123 2HG2 THR 14 2HG2 THR 14 -4.210 -2.641 -4.528 124 3HG2 THR 14 3HG2 THR 14 -4.536 -1.032 -3.884 125 H LEU 15 H LEU 15 -4.604 -0.369 0.021 126 HA LEU 15 HA LEU 15 -5.390 -2.050 2.305 127 1HB LEU 15 1HB LEU 15 -3.943 0.339 2.371 128 2HB LEU 15 2HB LEU 15 -5.572 0.853 2.749 129 HG LEU 15 HG LEU 15 -4.966 -1.483 4.351 130 1HD1 LEU 15 1HD1 LEU 15 -2.593 -0.721 3.945 131 2HD1 LEU 15 2HD1 LEU 15 -2.997 0.724 4.870 132 3HD1 LEU 15 3HD1 LEU 15 -3.095 -0.865 5.629 133 1HD2 LEU 15 1HD2 LEU 15 -5.418 1.405 5.094 134 2HD2 LEU 15 2HD2 LEU 15 -6.629 0.126 5.009 135 3HD2 LEU 15 3HD2 LEU 15 -5.369 0.065 6.241 136 H GLU 16 H GLU 16 -7.337 -2.797 1.978 137 HA GLU 16 HA GLU 16 -9.516 -1.110 0.913 138 1HB GLU 16 1HB GLU 16 -8.576 -3.813 0.082 139 2HB GLU 16 2HB GLU 16 -10.314 -3.550 0.090 140 1HG GLU 16 1HG GLU 16 -9.672 -1.398 -1.285 141 2HG GLU 16 2HG GLU 16 -8.205 -2.313 -1.624 142 H VAL 17 H VAL 17 -11.569 -1.293 1.750 143 HA VAL 17 HA VAL 17 -11.865 -2.532 4.371 144 HB VAL 17 HB VAL 17 -12.330 -0.074 4.022 145 1HG1 VAL 17 1HG1 VAL 17 -13.554 -0.004 1.924 146 2HG1 VAL 17 2HG1 VAL 17 -14.927 -0.815 2.681 147 3HG1 VAL 17 3HG1 VAL 17 -14.449 0.795 3.216 148 1HG2 VAL 17 1HG2 VAL 17 -13.115 -1.166 6.029 149 2HG2 VAL 17 2HG2 VAL 17 -14.231 0.107 5.531 150 3HG2 VAL 17 3HG2 VAL 17 -14.633 -1.585 5.236 No H/Q in entry = 150 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -13.817 0.546 -0.659 2 H2 MET 1 H2 MET 1 -13.963 0.889 0.991 3 H3 MET 1 H3 MET 1 -14.898 1.738 -0.136 4 HA MET 1 HA MET 1 -13.144 2.950 -0.940 5 1HB MET 1 1HB MET 1 -11.922 3.903 1.104 6 2HB MET 1 2HB MET 1 -13.668 3.980 1.130 7 1HG MET 1 1HG MET 1 -13.618 1.988 2.711 8 2HG MET 1 2HG MET 1 -11.867 2.177 2.770 9 1HE MET 1 1HE MET 1 -10.643 4.103 3.545 10 2HE MET 1 2HE MET 1 -11.167 5.154 4.861 11 3HE MET 1 3HE MET 1 -11.003 3.418 5.130 12 H GLN 2 H GLN 2 -11.156 3.181 -1.781 13 HA GLN 2 HA GLN 2 -9.068 1.188 -1.197 14 1HB GLN 2 1HB GLN 2 -10.435 1.267 -3.577 15 2HB GLN 2 2HB GLN 2 -9.059 2.291 -3.946 16 1HG GLN 2 1HG GLN 2 -7.535 0.486 -3.348 17 2HG GLN 2 2HG GLN 2 -8.904 -0.543 -2.932 18 2HE2 GLN 2 2HE2 GLN 2 -7.053 0.884 -5.561 19 1HE2 GLN 2 1HE2 GLN 2 -7.770 -0.058 -6.818 20 H ILE 3 H ILE 3 -7.143 1.909 -0.652 21 HA ILE 3 HA ILE 3 -6.059 4.483 -1.420 22 HB ILE 3 HB ILE 3 -5.318 5.030 1.016 23 1HG1 ILE 3 1HG1 ILE 3 -7.838 4.259 2.302 24 2HG1 ILE 3 2HG1 ILE 3 -7.026 2.818 1.715 25 1HG2 ILE 3 1HG2 ILE 3 -6.796 6.379 -0.430 26 2HG2 ILE 3 2HG2 ILE 3 -8.192 5.566 0.276 27 3HG2 ILE 3 3HG2 ILE 3 -7.146 6.562 1.289 28 1HD1 ILE 3 1HD1 ILE 3 -5.386 4.742 3.252 29 2HD1 ILE 3 2HD1 ILE 3 -6.615 3.829 4.130 30 3HD1 ILE 3 3HD1 ILE 3 -5.357 2.978 3.233 31 H PHE 4 H PHE 4 -4.068 4.344 -1.988 32 HA PHE 4 HA PHE 4 -2.497 1.915 -1.619 33 1HB PHE 4 1HB PHE 4 -2.544 4.205 -3.507 34 2HB PHE 4 2HB PHE 4 -0.960 3.530 -3.202 35 HD1 PHE 4 HD1 PHE 4 -4.488 2.686 -4.624 36 HD2 PHE 4 HD2 PHE 4 -0.156 1.477 -4.305 37 HE1 PHE 4 HE1 PHE 4 -4.829 0.959 -6.515 38 HE2 PHE 4 HE2 PHE 4 -0.507 -0.243 -6.211 39 HZ PHE 4 HZ PHE 4 -2.838 -0.501 -7.322 40 H VAL 5 H VAL 5 -0.461 1.705 -0.740 41 HA VAL 5 HA VAL 5 0.902 3.941 0.562 42 HB VAL 5 HB VAL 5 1.406 2.488 2.654 43 1HG1 VAL 5 1HG1 VAL 5 0.030 4.575 2.529 44 2HG1 VAL 5 2HG1 VAL 5 -1.399 3.541 2.510 45 3HG1 VAL 5 3HG1 VAL 5 -0.306 3.510 3.894 46 1HG2 VAL 5 1HG2 VAL 5 0.349 0.337 2.017 47 2HG2 VAL 5 2HG2 VAL 5 -0.346 0.989 3.501 48 3HG2 VAL 5 3HG2 VAL 5 -1.228 1.124 1.977 49 H LYS 6 H LYS 6 3.053 3.951 0.458 50 HA LYS 6 HA LYS 6 4.534 1.573 -0.476 51 1HB LYS 6 1HB LYS 6 4.003 3.746 -2.057 52 2HB LYS 6 2HB LYS 6 5.559 4.201 -1.385 53 1HG LYS 6 1HG LYS 6 6.649 2.358 -2.356 54 2HG LYS 6 2HG LYS 6 5.132 1.526 -2.694 55 1HD LYS 6 1HD LYS 6 4.679 2.791 -4.560 56 2HD LYS 6 2HD LYS 6 5.586 4.189 -3.982 57 1HE LYS 6 1HE LYS 6 7.656 3.210 -4.567 58 2HE LYS 6 2HE LYS 6 6.926 1.620 -4.796 59 1HZ LYS 6 1HZ LYS 6 5.715 2.510 -6.705 60 2HZ LYS 6 2HZ LYS 6 6.461 4.013 -6.494 61 3HZ LYS 6 3HZ LYS 6 7.387 2.660 -6.913 62 H THR 7 H THR 7 6.615 1.233 0.226 63 HA THR 7 HA THR 7 7.724 2.885 2.427 64 HB THR 7 HB THR 7 8.852 0.684 3.188 65 HG1 THR 7 HG1 THR 7 7.825 -1.209 2.610 66 1HG2 THR 7 1HG2 THR 7 5.977 1.386 3.613 67 2HG2 THR 7 2HG2 THR 7 6.628 -0.090 4.327 68 3HG2 THR 7 3HG2 THR 7 7.334 1.474 4.736 69 H LEU 8 H LEU 8 9.955 3.213 2.564 70 HA LEU 8 HA LEU 8 11.483 3.454 0.165 71 1HB LEU 8 1HB LEU 8 11.947 4.010 3.058 72 2HB LEU 8 2HB LEU 8 13.350 3.951 2.013 73 HG LEU 8 HG LEU 8 11.365 5.611 0.725 74 1HD1 LEU 8 1HD1 LEU 8 10.436 5.895 3.007 75 2HD1 LEU 8 2HD1 LEU 8 11.984 6.576 3.507 76 3HD1 LEU 8 3HD1 LEU 8 11.020 7.390 2.274 77 1HD2 LEU 8 1HD2 LEU 8 13.803 5.756 0.401 78 2HD2 LEU 8 2HD2 LEU 8 13.073 7.313 0.790 79 3HD2 LEU 8 3HD2 LEU 8 13.963 6.423 2.026 80 H ASP 9 H ASP 9 11.256 0.767 2.374 81 HA ASP 9 HA ASP 9 13.808 -0.511 2.000 82 1HB ASP 9 1HB ASP 9 11.862 -0.822 3.852 83 2HB ASP 9 2HB ASP 9 11.501 -2.197 2.817 84 H GLY 10 H GLY 10 10.608 -0.908 0.416 85 1HA GLY 10 2HA GLY 10 11.744 -2.775 -1.601 86 2HA GLY 10 1HA GLY 10 10.696 -1.437 -2.033 87 H LYS 11 H LYS 11 8.586 -1.503 -0.403 88 HA LYS 11 HA LYS 11 7.193 -4.037 -0.983 89 1HB LYS 11 1HB LYS 11 7.420 -2.719 1.714 90 2HB LYS 11 2HB LYS 11 5.963 -3.606 1.310 91 1HG LYS 11 1HG LYS 11 6.921 -5.577 1.718 92 2HG LYS 11 2HG LYS 11 8.313 -5.203 0.716 93 1HD LYS 11 1HD LYS 11 9.572 -5.105 2.563 94 2HD LYS 11 2HD LYS 11 8.681 -3.678 3.073 95 1HE LYS 11 1HE LYS 11 6.976 -5.433 4.007 96 2HE LYS 11 2HE LYS 11 8.350 -6.533 3.912 97 1HZ LYS 11 1HZ LYS 11 8.375 -3.939 5.355 98 2HZ LYS 11 2HZ LYS 11 8.108 -5.439 6.093 99 3HZ LYS 11 3HZ LYS 11 9.596 -5.110 5.358 100 H THR 12 H THR 12 5.025 -3.906 -1.499 101 HA THR 12 HA THR 12 3.579 -1.347 -1.445 102 HB THR 12 HB THR 12 2.630 -1.933 -3.793 103 HG1 THR 12 HG1 THR 12 3.525 -3.866 -4.289 104 1HG2 THR 12 1HG2 THR 12 5.341 -0.740 -3.303 105 2HG2 THR 12 2HG2 THR 12 4.667 -0.828 -4.930 106 3HG2 THR 12 3HG2 THR 12 3.818 0.072 -3.672 107 H ILE 13 H ILE 13 1.551 -1.498 -0.745 108 HA ILE 13 HA ILE 13 -0.094 -3.894 -0.988 109 HB ILE 13 HB ILE 13 -0.785 -3.843 1.491 110 1HG1 ILE 13 1HG1 ILE 13 1.876 -3.218 2.591 111 2HG1 ILE 13 2HG1 ILE 13 1.211 -1.808 1.782 112 1HG2 ILE 13 1HG2 ILE 13 1.874 -4.992 0.667 113 2HG2 ILE 13 2HG2 ILE 13 0.998 -5.452 2.127 114 3HG2 ILE 13 3HG2 ILE 13 0.280 -5.742 0.540 115 1HD1 ILE 13 1HD1 ILE 13 -0.240 -3.358 3.914 116 2HD1 ILE 13 2HD1 ILE 13 0.738 -1.920 4.217 117 3HD1 ILE 13 3HD1 ILE 13 -0.708 -1.807 3.212 118 H THR 14 H THR 14 -2.257 -3.608 -1.057 119 HA THR 14 HA THR 14 -3.332 -0.858 -1.073 120 HB THR 14 HB THR 14 -5.367 -1.936 -2.219 121 HG1 THR 14 HG1 THR 14 -5.247 -4.059 -2.239 122 1HG2 THR 14 1HG2 THR 14 -3.459 -0.642 -3.335 123 2HG2 THR 14 2HG2 THR 14 -2.921 -2.219 -3.913 124 3HG2 THR 14 3HG2 THR 14 -4.525 -1.621 -4.341 125 H LEU 15 H LEU 15 -5.156 -0.204 0.032 126 HA LEU 15 HA LEU 15 -6.105 -1.921 2.226 127 1HB LEU 15 1HB LEU 15 -5.007 0.537 2.468 128 2HB LEU 15 2HB LEU 15 -6.679 1.012 2.258 129 HG LEU 15 HG LEU 15 -6.560 -1.103 4.245 130 1HD1 LEU 15 1HD1 LEU 15 -4.205 -0.236 4.508 131 2HD1 LEU 15 2HD1 LEU 15 -4.920 1.274 5.068 132 3HD1 LEU 15 3HD1 LEU 15 -5.211 -0.222 5.956 133 1HD2 LEU 15 1HD2 LEU 15 -8.369 0.541 4.065 134 2HD2 LEU 15 2HD2 LEU 15 -7.663 0.522 5.681 135 3HD2 LEU 15 3HD2 LEU 15 -7.258 1.819 4.556 136 H GLU 16 H GLU 16 -7.713 -3.087 1.497 137 HA GLU 16 HA GLU 16 -10.012 -1.876 0.091 138 1HB GLU 16 1HB GLU 16 -8.412 -4.318 -0.504 139 2HB GLU 16 2HB GLU 16 -10.144 -4.422 -0.779 140 1HG GLU 16 1HG GLU 16 -9.881 -2.296 -2.173 141 2HG GLU 16 2HG GLU 16 -8.147 -2.595 -2.096 142 H VAL 17 H VAL 17 -12.095 -2.518 0.592 143 HA VAL 17 HA VAL 17 -12.537 -3.764 3.185 144 HB VAL 17 HB VAL 17 -13.498 -1.498 2.615 145 1HG1 VAL 17 1HG1 VAL 17 -14.336 -1.838 0.331 146 2HG1 VAL 17 2HG1 VAL 17 -15.633 -2.850 0.970 147 3HG1 VAL 17 3HG1 VAL 17 -15.546 -1.145 1.409 148 1HG2 VAL 17 1HG2 VAL 17 -14.369 -3.048 4.451 149 2HG2 VAL 17 2HG2 VAL 17 -15.344 -1.649 4.001 150 3HG2 VAL 17 3HG2 VAL 17 -15.782 -3.255 3.419 No H/Q in entry = 150 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -13.980 0.129 -1.823 2 H2 MET 1 H2 MET 1 -13.791 -0.064 -0.154 3 H3 MET 1 H3 MET 1 -14.932 1.031 -0.754 4 HA MET 1 HA MET 1 -13.189 2.388 -1.702 5 1HB MET 1 1HB MET 1 -13.987 2.206 0.923 6 2HB MET 1 2HB MET 1 -12.239 2.120 1.091 7 1HG MET 1 1HG MET 1 -11.926 4.274 0.344 8 2HG MET 1 2HG MET 1 -13.434 4.294 -0.571 9 1HE MET 1 1HE MET 1 -15.808 4.347 0.566 10 2HE MET 1 2HE MET 1 -16.032 5.622 1.766 11 3HE MET 1 3HE MET 1 -15.235 5.983 0.234 12 H GLN 2 H GLN 2 -11.081 2.820 -2.226 13 HA GLN 2 HA GLN 2 -8.944 0.906 -1.595 14 1HB GLN 2 1HB GLN 2 -10.070 0.839 -4.063 15 2HB GLN 2 2HB GLN 2 -8.869 2.088 -4.337 16 1HG GLN 2 1HG GLN 2 -7.176 0.412 -3.379 17 2HG GLN 2 2HG GLN 2 -8.439 -0.794 -3.597 18 2HE2 GLN 2 2HE2 GLN 2 -8.869 -1.580 -5.658 19 1HE2 GLN 2 1HE2 GLN 2 -7.945 -1.123 -7.044 20 H ILE 3 H ILE 3 -7.151 1.755 -0.866 21 HA ILE 3 HA ILE 3 -6.187 4.420 -1.461 22 HB ILE 3 HB ILE 3 -5.705 4.898 1.065 23 1HG1 ILE 3 1HG1 ILE 3 -8.288 3.983 2.076 24 2HG1 ILE 3 2HG1 ILE 3 -7.400 2.592 1.479 25 1HG2 ILE 3 1HG2 ILE 3 -8.384 5.350 -0.223 26 2HG2 ILE 3 2HG2 ILE 3 -7.872 6.160 1.257 27 3HG2 ILE 3 3HG2 ILE 3 -6.967 6.402 -0.237 28 1HD1 ILE 3 1HD1 ILE 3 -6.204 4.546 3.415 29 2HD1 ILE 3 2HD1 ILE 3 -7.159 3.152 3.922 30 3HD1 ILE 3 3HD1 ILE 3 -5.660 2.914 3.022 31 H PHE 4 H PHE 4 -4.160 4.346 -1.930 32 HA PHE 4 HA PHE 4 -2.536 1.982 -1.447 33 1HB PHE 4 1HB PHE 4 -2.553 4.237 -3.359 34 2HB PHE 4 2HB PHE 4 -0.955 3.669 -2.933 35 HD1 PHE 4 HD1 PHE 4 -4.305 2.628 -4.603 36 HD2 PHE 4 HD2 PHE 4 0.030 1.603 -3.900 37 HE1 PHE 4 HE1 PHE 4 -4.428 0.830 -6.456 38 HE2 PHE 4 HE2 PHE 4 -0.101 -0.187 -5.769 39 HZ PHE 4 HZ PHE 4 -2.323 -0.572 -7.051 40 H VAL 5 H VAL 5 -0.657 1.764 -0.365 41 HA VAL 5 HA VAL 5 0.624 3.991 1.027 42 HB VAL 5 HB VAL 5 -1.066 2.980 2.612 43 1HG1 VAL 5 1HG1 VAL 5 -1.029 0.617 2.152 44 2HG1 VAL 5 2HG1 VAL 5 0.633 0.494 2.728 45 3HG1 VAL 5 3HG1 VAL 5 -0.664 0.907 3.852 46 1HG2 VAL 5 1HG2 VAL 5 0.791 4.252 3.507 47 2HG2 VAL 5 2HG2 VAL 5 0.307 2.969 4.615 48 3HG2 VAL 5 3HG2 VAL 5 1.760 2.785 3.631 49 H LYS 6 H LYS 6 2.753 4.035 0.682 50 HA LYS 6 HA LYS 6 4.216 1.640 -0.245 51 1HB LYS 6 1HB LYS 6 3.773 3.923 -1.677 52 2HB LYS 6 2HB LYS 6 5.323 4.300 -0.945 53 1HG LYS 6 1HG LYS 6 6.394 2.493 -2.015 54 2HG LYS 6 2HG LYS 6 4.864 1.736 -2.452 55 1HD LYS 6 1HD LYS 6 4.503 3.145 -4.232 56 2HD LYS 6 2HD LYS 6 5.426 4.472 -3.526 57 1HE LYS 6 1HE LYS 6 7.487 3.485 -4.127 58 2HE LYS 6 2HE LYS 6 6.728 1.935 -4.489 59 1HZ LYS 6 1HZ LYS 6 5.575 3.015 -6.351 60 2HZ LYS 6 2HZ LYS 6 6.401 4.455 -6.026 61 3HZ LYS 6 3HZ LYS 6 7.258 3.082 -6.518 62 H THR 7 H THR 7 6.259 1.169 0.457 63 HA THR 7 HA THR 7 7.358 2.564 2.833 64 HB THR 7 HB THR 7 8.493 0.260 3.286 65 HG1 THR 7 HG1 THR 7 7.971 -1.225 1.903 66 1HG2 THR 7 1HG2 THR 7 5.647 0.977 3.850 67 2HG2 THR 7 2HG2 THR 7 6.248 -0.609 4.333 68 3HG2 THR 7 3HG2 THR 7 7.018 0.852 4.952 69 H LEU 8 H LEU 8 9.564 2.916 3.039 70 HA LEU 8 HA LEU 8 11.128 3.464 0.718 71 1HB LEU 8 1HB LEU 8 11.192 4.075 3.508 72 2HB LEU 8 2HB LEU 8 12.776 3.474 3.067 73 HG LEU 8 HG LEU 8 12.105 5.349 1.036 74 1HD1 LEU 8 1HD1 LEU 8 11.413 6.449 3.758 75 2HD1 LEU 8 2HD1 LEU 8 11.736 7.435 2.331 76 3HD1 LEU 8 3HD1 LEU 8 10.359 6.332 2.348 77 1HD2 LEU 8 1HD2 LEU 8 13.952 5.616 3.404 78 2HD2 LEU 8 2HD2 LEU 8 14.355 5.006 1.799 79 3HD2 LEU 8 3HD2 LEU 8 13.933 6.705 2.017 80 H ASP 9 H ASP 9 10.873 0.510 2.506 81 HA ASP 9 HA ASP 9 13.457 -0.689 2.143 82 1HB ASP 9 1HB ASP 9 11.311 -1.302 3.700 83 2HB ASP 9 2HB ASP 9 11.146 -2.518 2.439 84 H GLY 10 H GLY 10 10.459 -0.762 0.192 85 1HA GLY 10 2HA GLY 10 11.836 -2.170 -2.032 86 2HA GLY 10 1HA GLY 10 10.629 -0.917 -2.247 87 H LYS 11 H LYS 11 8.541 -1.646 -0.654 88 HA LYS 11 HA LYS 11 7.415 -3.975 -1.997 89 1HB LYS 11 1HB LYS 11 6.347 -4.870 0.157 90 2HB LYS 11 2HB LYS 11 8.041 -5.215 -0.084 91 1HG LYS 11 1HG LYS 11 8.277 -3.055 1.520 92 2HG LYS 11 2HG LYS 11 6.681 -3.601 2.031 93 1HD LYS 11 1HD LYS 11 7.810 -5.919 2.280 94 2HD LYS 11 2HD LYS 11 9.325 -5.016 2.228 95 1HE LYS 11 1HE LYS 11 8.793 -3.820 4.195 96 2HE LYS 11 2HE LYS 11 7.108 -4.337 4.144 97 1HZ LYS 11 1HZ LYS 11 9.437 -6.115 4.633 98 2HZ LYS 11 2HZ LYS 11 8.376 -5.542 5.819 99 3HZ LYS 11 3HZ LYS 11 7.814 -6.592 4.616 100 H THR 12 H THR 12 5.341 -3.793 -2.609 101 HA THR 12 HA THR 12 3.740 -1.462 -1.714 102 HB THR 12 HB THR 12 2.574 -1.682 -4.022 103 HG1 THR 12 HG1 THR 12 3.559 -3.592 -4.740 104 1HG2 THR 12 1HG2 THR 12 3.932 0.254 -3.423 105 2HG2 THR 12 2HG2 THR 12 5.395 -0.610 -3.894 106 3HG2 THR 12 3HG2 THR 12 4.191 -0.189 -5.111 107 H ILE 13 H ILE 13 1.703 -1.707 -1.030 108 HA ILE 13 HA ILE 13 0.067 -4.063 -1.493 109 HB ILE 13 HB ILE 13 -0.526 -4.333 1.003 110 1HG1 ILE 13 1HG1 ILE 13 2.165 -3.940 2.092 111 2HG1 ILE 13 2HG1 ILE 13 1.581 -2.413 1.450 112 1HG2 ILE 13 1HG2 ILE 13 2.059 -5.402 -0.100 113 2HG2 ILE 13 2HG2 ILE 13 1.255 -6.032 1.338 114 3HG2 ILE 13 3HG2 ILE 13 0.446 -6.105 -0.229 115 1HD1 ILE 13 1HD1 ILE 13 0.041 -4.096 3.411 116 2HD1 ILE 13 2HD1 ILE 13 1.124 -2.780 3.870 117 3HD1 ILE 13 3HD1 ILE 13 -0.313 -2.442 2.903 118 H THR 14 H THR 14 -2.097 -3.747 -1.462 119 HA THR 14 HA THR 14 -3.118 -1.009 -1.245 120 HB THR 14 HB THR 14 -5.302 -2.022 -2.123 121 HG1 THR 14 HG1 THR 14 -5.358 -4.126 -2.267 122 1HG2 THR 14 1HG2 THR 14 -3.444 -0.893 -3.514 123 2HG2 THR 14 2HG2 THR 14 -3.145 -2.524 -4.117 124 3HG2 THR 14 3HG2 THR 14 -4.734 -1.781 -4.324 125 H LEU 15 H LEU 15 -4.754 -0.272 0.071 126 HA LEU 15 HA LEU 15 -5.618 -1.966 2.321 127 1HB LEU 15 1HB LEU 15 -4.223 0.425 2.480 128 2HB LEU 15 2HB LEU 15 -5.877 0.953 2.703 129 HG LEU 15 HG LEU 15 -5.408 -1.357 4.399 130 1HD1 LEU 15 1HD1 LEU 15 -3.022 -0.625 4.228 131 2HD1 LEU 15 2HD1 LEU 15 -3.499 0.890 4.993 132 3HD1 LEU 15 3HD1 LEU 15 -3.688 -0.635 5.860 133 1HD2 LEU 15 1HD2 LEU 15 -5.930 1.537 5.078 134 2HD2 LEU 15 2HD2 LEU 15 -7.142 0.278 4.839 135 3HD2 LEU 15 3HD2 LEU 15 -6.033 0.186 6.208 136 H GLU 16 H GLU 16 -7.478 -2.814 1.803 137 HA GLU 16 HA GLU 16 -9.677 -1.203 0.668 138 1HB GLU 16 1HB GLU 16 -8.571 -3.848 -0.145 139 2HB GLU 16 2HB GLU 16 -10.316 -3.658 -0.236 140 1HG GLU 16 1HG GLU 16 -9.688 -1.458 -1.542 141 2HG GLU 16 2HG GLU 16 -8.166 -2.305 -1.809 142 H VAL 17 H VAL 17 -11.763 -1.494 1.388 143 HA VAL 17 HA VAL 17 -12.144 -2.812 3.962 144 HB VAL 17 HB VAL 17 -12.676 -0.361 3.656 145 1HG1 VAL 17 1HG1 VAL 17 -15.101 -1.199 2.076 146 2HG1 VAL 17 2HG1 VAL 17 -14.885 0.387 2.818 147 3HG1 VAL 17 3HG1 VAL 17 -13.780 -0.154 1.553 148 1HG2 VAL 17 1HG2 VAL 17 -13.627 -1.850 5.496 149 2HG2 VAL 17 2HG2 VAL 17 -14.350 -0.261 5.252 150 3HG2 VAL 17 3HG2 VAL 17 -15.162 -1.703 4.641 No H/Q in entry = 150 Start of MODEL 21 1 H1 MET 1 H1 MET 1 -13.946 0.177 -2.506 2 H2 MET 1 H2 MET 1 -13.929 -0.121 -0.840 3 H3 MET 1 H3 MET 1 -15.023 0.994 -1.488 4 HA MET 1 HA MET 1 -13.259 2.464 -2.119 5 1HB MET 1 1HB MET 1 -14.207 1.990 0.418 6 2HB MET 1 2HB MET 1 -12.470 1.915 0.683 7 1HG MET 1 1HG MET 1 -12.163 4.142 0.184 8 2HG MET 1 2HG MET 1 -13.621 4.235 -0.806 9 1HE MET 1 1HE MET 1 -16.050 4.129 0.196 10 2HE MET 1 2HE MET 1 -16.364 5.264 1.510 11 3HE MET 1 3HE MET 1 -15.493 5.800 0.073 12 H GLN 2 H GLN 2 -11.134 2.985 -2.470 13 HA GLN 2 HA GLN 2 -8.996 1.042 -1.925 14 1HB GLN 2 1HB GLN 2 -9.825 2.103 -4.586 15 2HB GLN 2 2HB GLN 2 -8.096 2.055 -4.275 16 1HG GLN 2 1HG GLN 2 -8.075 -0.273 -4.055 17 2HG GLN 2 2HG GLN 2 -9.825 -0.359 -3.861 18 2HE2 GLN 2 2HE2 GLN 2 -7.179 -0.092 -6.155 19 1HE2 GLN 2 1HE2 GLN 2 -8.136 -0.358 -7.569 20 H ILE 3 H ILE 3 -7.246 1.817 -1.020 21 HA ILE 3 HA ILE 3 -6.284 4.532 -1.276 22 HB ILE 3 HB ILE 3 -5.965 4.769 1.313 23 1HG1 ILE 3 2HG1 ILE 3 -8.608 3.774 2.054 24 2HG1 ILE 3 1HG1 ILE 3 -7.674 2.442 1.395 25 1HG2 ILE 3 1HG2 ILE 3 -7.194 6.319 -0.078 26 2HG2 ILE 3 2HG2 ILE 3 -8.644 5.324 0.049 27 3HG2 ILE 3 3HG2 ILE 3 -7.994 6.123 1.481 28 1HD1 ILE 3 1HD1 ILE 3 -6.548 4.195 3.540 29 2HD1 ILE 3 2HD1 ILE 3 -7.629 2.852 3.913 30 3HD1 ILE 3 3HD1 ILE 3 -6.096 2.550 3.093 31 H PHE 4 H PHE 4 -4.249 4.500 -1.644 32 HA PHE 4 HA PHE 4 -2.625 2.117 -1.266 33 1HB PHE 4 1HB PHE 4 -2.596 4.494 -3.022 34 2HB PHE 4 2HB PHE 4 -1.006 3.930 -2.560 35 HD1 PHE 4 HD1 PHE 4 -4.257 2.914 -4.434 36 HD2 PHE 4 HD2 PHE 4 0.073 1.960 -3.615 37 HE1 PHE 4 HE1 PHE 4 -4.258 1.224 -6.390 38 HE2 PHE 4 HE2 PHE 4 0.066 0.283 -5.590 39 HZ PHE 4 HZ PHE 4 -2.093 -0.083 -6.983 40 H VAL 5 H VAL 5 -0.714 1.875 -0.223 41 HA VAL 5 HA VAL 5 0.573 3.987 1.303 42 HB VAL 5 HB VAL 5 0.796 2.475 3.405 43 1HG1 VAL 5 1HG1 VAL 5 -0.342 4.597 3.413 44 2HG1 VAL 5 2HG1 VAL 5 -1.830 3.831 2.855 45 3HG1 VAL 5 3HG1 VAL 5 -1.183 3.442 4.448 46 1HG2 VAL 5 1HG2 VAL 5 -0.395 0.427 2.455 47 2HG2 VAL 5 2HG2 VAL 5 -0.937 0.957 4.048 48 3HG2 VAL 5 3HG2 VAL 5 -1.901 1.329 2.620 49 H LYS 6 H LYS 6 2.711 3.902 1.201 50 HA LYS 6 HA LYS 6 4.088 1.428 0.326 51 1HB LYS 6 1HB LYS 6 4.263 4.231 -0.706 52 2HB LYS 6 2HB LYS 6 5.734 3.271 -0.698 53 1HG LYS 6 1HG LYS 6 4.411 1.506 -1.968 54 2HG LYS 6 2HG LYS 6 3.175 2.745 -2.186 55 1HD LYS 6 1HD LYS 6 5.040 4.201 -3.145 56 2HD LYS 6 2HD LYS 6 6.008 2.727 -3.200 57 1HE LYS 6 1HE LYS 6 4.410 1.677 -4.667 58 2HE LYS 6 2HE LYS 6 3.317 3.054 -4.520 59 1HZ LYS 6 1HZ LYS 6 6.024 3.119 -5.741 60 2HZ LYS 6 2HZ LYS 6 4.559 3.126 -6.589 61 3HZ LYS 6 3HZ LYS 6 4.974 4.437 -5.605 62 H THR 7 H THR 7 6.069 0.891 1.134 63 HA THR 7 HA THR 7 6.937 2.043 3.688 64 HB THR 7 HB THR 7 8.582 0.017 3.590 65 HG1 THR 7 HG1 THR 7 8.428 -1.072 1.800 66 1HG2 THR 7 1HG2 THR 7 6.561 0.251 5.077 67 2HG2 THR 7 2HG2 THR 7 5.660 -0.663 3.867 68 3HG2 THR 7 3HG2 THR 7 7.026 -1.406 4.696 69 H LEU 8 H LEU 8 8.068 1.792 0.346 70 HA LEU 8 HA LEU 8 9.630 2.770 -0.955 71 1HB LEU 8 1HB LEU 8 10.106 4.471 1.481 72 2HB LEU 8 2HB LEU 8 11.305 4.509 0.206 73 HG LEU 8 HG LEU 8 8.797 4.843 -1.103 74 1HD1 LEU 8 1HD1 LEU 8 7.891 5.417 1.161 75 2HD1 LEU 8 2HD1 LEU 8 8.976 6.807 1.169 76 3HD1 LEU 8 3HD1 LEU 8 7.717 6.678 -0.059 77 1HD2 LEU 8 1HD2 LEU 8 10.894 5.848 -1.832 78 2HD2 LEU 8 2HD2 LEU 8 9.630 7.067 -1.669 79 3HD2 LEU 8 3HD2 LEU 8 10.879 6.921 -0.432 80 H ASP 9 H ASP 9 10.418 0.722 1.586 81 HA ASP 9 HA ASP 9 13.266 0.381 1.335 82 1HB ASP 9 1HB ASP 9 11.310 -0.466 3.151 83 2HB ASP 9 2HB ASP 9 11.914 -1.950 2.427 84 H GLY 10 H GLY 10 10.433 -1.250 -0.141 85 1HA GLY 10 2HA GLY 10 11.817 -3.437 -1.401 86 2HA GLY 10 1HA GLY 10 11.568 -2.106 -2.514 87 H LYS 11 H LYS 11 9.520 -3.578 0.054 88 HA LYS 11 HA LYS 11 7.610 -4.764 -1.737 89 1HB LYS 11 1HB LYS 11 6.323 -5.382 0.371 90 2HB LYS 11 2HB LYS 11 7.930 -6.036 0.223 91 1HG LYS 11 1HG LYS 11 8.188 -5.448 2.380 92 2HG LYS 11 2HG LYS 11 8.400 -3.805 1.781 93 1HD LYS 11 1HD LYS 11 6.201 -3.195 2.325 94 2HD LYS 11 2HD LYS 11 5.661 -4.871 2.429 95 1HE LYS 11 1HE LYS 11 6.981 -5.178 4.458 96 2HE LYS 11 2HE LYS 11 7.564 -3.518 4.343 97 1HZ LYS 11 1HZ LYS 11 5.204 -2.804 4.519 98 2HZ LYS 11 2HZ LYS 11 4.778 -4.408 4.841 99 3HZ LYS 11 3HZ LYS 11 5.793 -3.572 5.905 100 H THR 12 H THR 12 5.423 -4.386 -2.095 101 HA THR 12 HA THR 12 4.178 -1.840 -1.274 102 HB THR 12 HB THR 12 3.186 -1.678 -3.666 103 HG1 THR 12 HG1 THR 12 4.403 -2.568 -5.313 104 1HG2 THR 12 1HG2 THR 12 4.812 -0.063 -2.673 105 2HG2 THR 12 2HG2 THR 12 6.117 -1.005 -3.395 106 3HG2 THR 12 3HG2 THR 12 4.926 -0.209 -4.426 107 H ILE 13 H ILE 13 2.070 -1.980 -0.718 108 HA ILE 13 HA ILE 13 0.283 -4.115 -1.581 109 HB ILE 13 HB ILE 13 -0.506 -4.619 0.823 110 1HG1 ILE 13 1HG1 ILE 13 2.127 -4.570 2.111 111 2HG1 ILE 13 2HG1 ILE 13 1.695 -2.937 1.629 112 1HG2 ILE 13 1HG2 ILE 13 2.059 -5.759 -0.254 113 2HG2 ILE 13 2HG2 ILE 13 1.131 -6.480 1.062 114 3HG2 ILE 13 3HG2 ILE 13 0.409 -6.317 -0.539 115 1HD1 ILE 13 1HD1 ILE 13 -0.064 -4.726 3.290 116 2HD1 ILE 13 2HD1 ILE 13 1.048 -3.525 3.949 117 3HD1 ILE 13 3HD1 ILE 13 -0.309 -3.013 2.944 118 H THR 14 H THR 14 -1.877 -3.703 -1.553 119 HA THR 14 HA THR 14 -2.775 -0.945 -1.161 120 HB THR 14 HB THR 14 -5.004 -1.852 -2.095 121 HG1 THR 14 HG1 THR 14 -4.617 -4.076 -1.848 122 1HG2 THR 14 1HG2 THR 14 -2.508 -1.450 -3.621 123 2HG2 THR 14 2HG2 THR 14 -3.878 -2.163 -4.473 124 3HG2 THR 14 3HG2 THR 14 -4.055 -0.598 -3.684 125 H LEU 15 H LEU 15 -4.403 -0.222 0.177 126 HA LEU 15 HA LEU 15 -5.356 -2.006 2.317 127 1HB LEU 15 1HB LEU 15 -3.909 0.326 2.633 128 2HB LEU 15 2HB LEU 15 -5.551 0.905 2.818 129 HG LEU 15 HG LEU 15 -5.235 -1.488 4.428 130 1HD1 LEU 15 1HD1 LEU 15 -3.154 0.622 4.957 131 2HD1 LEU 15 2HD1 LEU 15 -3.599 -0.667 6.074 132 3HD1 LEU 15 3HD1 LEU 15 -2.873 -1.063 4.517 133 1HD2 LEU 15 1HD2 LEU 15 -6.911 0.233 4.852 134 2HD2 LEU 15 2HD2 LEU 15 -5.897 -0.032 6.271 135 3HD2 LEU 15 3HD2 LEU 15 -5.639 1.385 5.255 136 H GLU 16 H GLU 16 -7.255 -2.765 1.822 137 HA GLU 16 HA GLU 16 -9.389 -1.065 0.687 138 1HB GLU 16 1HB GLU 16 -8.363 -3.731 -0.161 139 2HB GLU 16 2HB GLU 16 -10.099 -3.484 -0.262 140 1HG GLU 16 1HG GLU 16 -9.406 -1.294 -1.532 141 2HG GLU 16 2HG GLU 16 -7.893 -2.158 -1.782 142 H VAL 17 H VAL 17 -11.493 -1.305 1.380 143 HA VAL 17 HA VAL 17 -12.077 -3.108 3.628 144 HB VAL 17 HB VAL 17 -11.628 -0.736 4.374 145 1HG1 VAL 17 1HG1 VAL 17 -12.656 0.637 2.663 146 2HG1 VAL 17 2HG1 VAL 17 -14.258 0.077 3.143 147 3HG1 VAL 17 3HG1 VAL 17 -13.292 1.040 4.259 148 1HG2 VAL 17 1HG2 VAL 17 -12.811 -2.228 5.846 149 2HG2 VAL 17 2HG2 VAL 17 -13.419 -0.582 6.029 150 3HG2 VAL 17 3HG2 VAL 17 -14.352 -1.773 5.122 No H/Q in entry = 150 Start of MODEL 22 1 H1 MET 1 H1 MET 1 -13.885 1.154 -3.182 2 H2 MET 1 H2 MET 1 -14.231 1.105 -1.526 3 H3 MET 1 H3 MET 1 -14.846 2.356 -2.483 4 HA MET 1 HA MET 1 -12.655 3.211 -2.888 5 1HB MET 1 1HB MET 1 -14.125 3.376 -0.562 6 2HB MET 1 2HB MET 1 -12.540 2.932 0.053 7 1HG MET 1 1HG MET 1 -11.556 4.899 -0.710 8 2HG MET 1 2HG MET 1 -12.860 5.221 -1.855 9 1HE MET 1 1HE MET 1 -15.310 5.865 -1.107 10 2HE MET 1 2HE MET 1 -15.394 7.221 0.020 11 3HE MET 1 3HE MET 1 -14.311 7.295 -1.371 12 H GLN 2 H GLN 2 -10.421 3.157 -2.744 13 HA GLN 2 HA GLN 2 -9.027 0.856 -1.579 14 1HB GLN 2 1HB GLN 2 -9.433 1.000 -4.323 15 2HB GLN 2 2HB GLN 2 -7.854 1.749 -4.145 16 1HG GLN 2 1HG GLN 2 -6.934 -0.209 -3.174 17 2HG GLN 2 2HG GLN 2 -8.520 -0.945 -2.994 18 2HE2 GLN 2 2HE2 GLN 2 -9.497 -1.955 -4.788 19 1HE2 GLN 2 1HE2 GLN 2 -8.626 -2.250 -6.250 20 H ILE 3 H ILE 3 -7.306 1.381 -0.409 21 HA ILE 3 HA ILE 3 -6.084 4.029 -0.671 22 HB ILE 3 HB ILE 3 -7.760 3.831 1.220 23 1HG1 ILE 3 1HG1 ILE 3 -5.618 4.816 2.850 24 2HG1 ILE 3 2HG1 ILE 3 -5.229 5.190 1.181 25 1HG2 ILE 3 1HG2 ILE 3 -5.838 1.936 2.480 26 2HG2 ILE 3 2HG2 ILE 3 -6.800 3.017 3.490 27 3HG2 ILE 3 3HG2 ILE 3 -7.599 1.888 2.392 28 1HD1 ILE 3 1HD1 ILE 3 -7.980 5.820 2.075 29 2HD1 ILE 3 2HD1 ILE 3 -6.666 6.802 2.727 30 3HD1 ILE 3 3HD1 ILE 3 -6.905 6.695 0.983 31 H PHE 4 H PHE 4 -4.059 3.993 -1.257 32 HA PHE 4 HA PHE 4 -2.368 1.616 -0.950 33 1HB PHE 4 1HB PHE 4 -2.651 3.756 -2.980 34 2HB PHE 4 2HB PHE 4 -0.998 3.268 -2.667 35 HD1 PHE 4 HD1 PHE 4 -4.405 2.115 -4.078 36 HD2 PHE 4 HD2 PHE 4 -0.059 1.056 -3.478 37 HE1 PHE 4 HE1 PHE 4 -4.635 0.185 -5.775 38 HE2 PHE 4 HE2 PHE 4 -0.303 -0.868 -5.191 39 HZ PHE 4 HZ PHE 4 -2.588 -1.307 -6.343 40 H VAL 5 H VAL 5 -0.419 1.535 0.016 41 HA VAL 5 HA VAL 5 0.841 3.907 1.179 42 HB VAL 5 HB VAL 5 -0.668 2.863 2.922 43 1HG1 VAL 5 1HG1 VAL 5 -0.281 0.438 2.420 44 2HG1 VAL 5 2HG1 VAL 5 1.252 0.575 3.280 45 3HG1 VAL 5 3HG1 VAL 5 -0.266 0.878 4.128 46 1HG2 VAL 5 1HG2 VAL 5 1.423 4.235 3.439 47 2HG2 VAL 5 2HG2 VAL 5 0.663 3.337 4.752 48 3HG2 VAL 5 3HG2 VAL 5 2.124 2.713 3.986 49 H LYS 6 H LYS 6 2.943 4.062 0.723 50 HA LYS 6 HA LYS 6 4.480 1.737 -0.258 51 1HB LYS 6 1HB LYS 6 3.857 4.013 -1.648 52 2HB LYS 6 2HB LYS 6 5.431 4.443 -1.000 53 1HG LYS 6 1HG LYS 6 6.509 2.694 -2.146 54 2HG LYS 6 2HG LYS 6 4.990 1.869 -2.493 55 1HD LYS 6 1HD LYS 6 4.458 3.262 -4.244 56 2HD LYS 6 2HD LYS 6 5.363 4.629 -3.589 57 1HE LYS 6 1HE LYS 6 7.450 3.633 -4.246 58 2HE LYS 6 2HE LYS 6 6.637 2.146 -4.735 59 1HZ LYS 6 1HZ LYS 6 6.144 4.790 -5.989 60 2HZ LYS 6 2HZ LYS 6 7.225 3.642 -6.602 61 3HZ LYS 6 3HZ LYS 6 5.574 3.289 -6.520 62 H THR 7 H THR 7 6.568 1.358 0.367 63 HA THR 7 HA THR 7 7.734 2.861 2.644 64 HB THR 7 HB THR 7 8.903 0.623 3.207 65 HG1 THR 7 HG1 THR 7 8.423 -0.898 1.832 66 1HG2 THR 7 1HG2 THR 7 6.010 1.196 3.752 67 2HG2 THR 7 2HG2 THR 7 6.780 -0.254 4.400 68 3HG2 THR 7 3HG2 THR 7 7.399 1.342 4.829 69 H LEU 8 H LEU 8 9.961 3.203 2.740 70 HA LEU 8 HA LEU 8 11.423 3.618 0.323 71 1HB LEU 8 1HB LEU 8 11.902 4.033 3.230 72 2HB LEU 8 2HB LEU 8 13.323 3.979 2.208 73 HG LEU 8 HG LEU 8 11.472 5.741 0.910 74 1HD1 LEU 8 1HD1 LEU 8 11.720 6.348 3.851 75 2HD1 LEU 8 2HD1 LEU 8 11.206 7.511 2.627 76 3HD1 LEU 8 3HD1 LEU 8 10.240 6.067 2.933 77 1HD2 LEU 8 1HD2 LEU 8 13.903 5.914 0.775 78 2HD2 LEU 8 2HD2 LEU 8 13.178 7.440 1.281 79 3HD2 LEU 8 3HD2 LEU 8 13.970 6.403 2.468 80 H ASP 9 H ASP 9 11.232 0.778 2.307 81 HA ASP 9 HA ASP 9 13.789 -0.459 1.846 82 1HB ASP 9 1HB ASP 9 11.767 -0.927 3.623 83 2HB ASP 9 2HB ASP 9 11.536 -2.258 2.497 84 H GLY 10 H GLY 10 10.599 -0.730 0.213 85 1HA GLY 10 2HA GLY 10 11.759 -2.419 -1.944 86 2HA GLY 10 1HA GLY 10 10.688 -1.066 -2.264 87 H LYS 11 H LYS 11 8.565 -1.272 -0.724 88 HA LYS 11 HA LYS 11 7.244 -3.818 -1.424 89 1HB LYS 11 1HB LYS 11 7.412 -2.571 1.298 90 2HB LYS 11 2HB LYS 11 5.919 -3.374 0.843 91 1HG LYS 11 1HG LYS 11 7.131 -5.450 0.476 92 2HG LYS 11 2HG LYS 11 8.650 -4.641 0.882 93 1HD LYS 11 1HD LYS 11 7.604 -4.057 3.110 94 2HD LYS 11 2HD LYS 11 6.289 -5.151 2.688 95 1HE LYS 11 1HE LYS 11 9.098 -6.162 2.553 96 2HE LYS 11 2HE LYS 11 8.344 -5.941 4.129 97 1HZ LYS 11 1HZ LYS 11 6.530 -7.383 3.421 98 2HZ LYS 11 2HZ LYS 11 7.276 -7.616 1.921 99 3HZ LYS 11 3HZ LYS 11 8.017 -8.185 3.330 100 H THR 12 H THR 12 5.091 -3.723 -2.018 101 HA THR 12 HA THR 12 3.550 -1.240 -1.900 102 HB THR 12 HB THR 12 2.761 -1.654 -4.349 103 HG1 THR 12 HG1 THR 12 5.301 -2.946 -4.432 104 1HG2 THR 12 1HG2 THR 12 4.158 0.290 -3.497 105 2HG2 THR 12 2HG2 THR 12 5.564 -0.578 -4.114 106 3HG2 THR 12 3HG2 THR 12 4.287 -0.071 -5.219 107 H ILE 13 H ILE 13 1.716 -1.664 -0.959 108 HA ILE 13 HA ILE 13 -0.016 -3.910 -1.604 109 HB ILE 13 HB ILE 13 -0.446 -4.477 0.881 110 1HG1 ILE 13 1HG1 ILE 13 2.367 -4.199 1.750 111 2HG1 ILE 13 2HG1 ILE 13 1.646 -2.627 1.451 112 1HG2 ILE 13 1HG2 ILE 13 2.050 -5.453 -0.495 113 2HG2 ILE 13 2HG2 ILE 13 1.275 -6.256 0.872 114 3HG2 ILE 13 3HG2 ILE 13 0.412 -6.087 -0.658 115 1HD1 ILE 13 1HD1 ILE 13 0.405 -4.694 3.250 116 2HD1 ILE 13 2HD1 ILE 13 1.515 -3.443 3.812 117 3HD1 ILE 13 3HD1 ILE 13 -0.035 -2.992 3.095 118 H THR 14 H THR 14 -2.170 -3.573 -1.339 119 HA THR 14 HA THR 14 -3.057 -1.016 -0.184 120 HB THR 14 HB THR 14 -3.273 -0.787 -2.586 121 HG1 THR 14 HG1 THR 14 -5.323 -0.023 -2.625 122 1HG2 THR 14 1HG2 THR 14 -4.928 -3.317 -2.615 123 2HG2 THR 14 2HG2 THR 14 -5.106 -2.075 -3.859 124 3HG2 THR 14 3HG2 THR 14 -3.554 -2.882 -3.632 125 H LEU 15 H LEU 15 -5.002 -0.815 0.892 126 HA LEU 15 HA LEU 15 -6.226 -3.258 2.005 127 1HB LEU 15 1HB LEU 15 -4.782 -1.409 3.386 128 2HB LEU 15 2HB LEU 15 -6.392 -0.737 3.558 129 HG LEU 15 HG LEU 15 -6.523 -3.568 4.173 130 1HD1 LEU 15 1HD1 LEU 15 -4.101 -3.331 4.662 131 2HD1 LEU 15 2HD1 LEU 15 -4.508 -2.125 5.882 132 3HD1 LEU 15 3HD1 LEU 15 -5.076 -3.784 6.059 133 1HD2 LEU 15 1HD2 LEU 15 -8.076 -1.831 4.994 134 2HD2 LEU 15 2HD2 LEU 15 -7.418 -2.831 6.289 135 3HD2 LEU 15 3HD2 LEU 15 -6.793 -1.202 6.028 136 H GLU 16 H GLU 16 -8.382 -3.522 1.940 137 HA GLU 16 HA GLU 16 -10.179 -1.357 1.032 138 1HB GLU 16 1HB GLU 16 -9.769 -4.077 -0.145 139 2HB GLU 16 2HB GLU 16 -11.402 -3.429 -0.137 140 1HG GLU 16 1HG GLU 16 -10.360 -1.346 -1.242 141 2HG GLU 16 2HG GLU 16 -8.970 -2.380 -1.556 142 H VAL 17 H VAL 17 -12.240 -1.261 1.837 143 HA VAL 17 HA VAL 17 -12.888 -2.901 4.194 144 HB VAL 17 HB VAL 17 -14.687 -1.113 4.706 145 1HG1 VAL 17 1HG1 VAL 17 -12.548 -1.489 5.922 146 2HG1 VAL 17 2HG1 VAL 17 -11.848 -0.179 4.971 147 3HG1 VAL 17 3HG1 VAL 17 -13.206 0.142 6.047 148 1HG2 VAL 17 1HG2 VAL 17 -14.491 0.164 2.491 149 2HG2 VAL 17 2HG2 VAL 17 -14.477 1.142 3.959 150 3HG2 VAL 17 3HG2 VAL 17 -12.969 0.806 3.106 No H/Q in entry = 150 Start of MODEL 23 1 H1 MET 1 H1 MET 1 -14.124 0.424 -2.191 2 H2 MET 1 H2 MET 1 -14.064 0.164 -0.521 3 H3 MET 1 H3 MET 1 -15.112 1.330 -1.158 4 HA MET 1 HA MET 1 -13.287 2.675 -1.887 5 1HB MET 1 1HB MET 1 -14.169 2.320 0.692 6 2HB MET 1 2HB MET 1 -12.432 2.139 0.900 7 1HG MET 1 1HG MET 1 -12.007 4.331 0.388 8 2HG MET 1 2HG MET 1 -13.440 4.492 -0.627 9 1HE MET 1 1HE MET 1 -15.866 4.569 0.309 10 2HE MET 1 2HE MET 1 -16.164 5.712 1.621 11 3HE MET 1 3HE MET 1 -15.236 6.214 0.208 12 H GLN 2 H GLN 2 -11.146 3.065 -2.312 13 HA GLN 2 HA GLN 2 -9.113 1.000 -1.810 14 1HB GLN 2 1HB GLN 2 -9.906 2.153 -4.461 15 2HB GLN 2 2HB GLN 2 -8.199 1.839 -4.181 16 1HG GLN 2 1HG GLN 2 -8.506 -0.452 -4.020 17 2HG GLN 2 2HG GLN 2 -10.227 -0.299 -3.667 18 2HE2 GLN 2 2HE2 GLN 2 -7.787 -0.377 -6.195 19 1HE2 GLN 2 1HE2 GLN 2 -8.895 -0.500 -7.514 20 H ILE 3 H ILE 3 -7.298 1.680 -0.954 21 HA ILE 3 HA ILE 3 -6.198 4.343 -1.264 22 HB ILE 3 HB ILE 3 -5.781 4.559 1.313 23 1HG1 ILE 3 1HG1 ILE 3 -8.436 3.695 2.156 24 2HG1 ILE 3 2HG1 ILE 3 -7.608 2.319 1.447 25 1HG2 ILE 3 1HG2 ILE 3 -8.432 5.254 0.067 26 2HG2 ILE 3 2HG2 ILE 3 -7.810 5.959 1.558 27 3HG2 ILE 3 3HG2 ILE 3 -6.948 6.206 0.038 28 1HD1 ILE 3 1HD1 ILE 3 -6.198 3.956 3.495 29 2HD1 ILE 3 2HD1 ILE 3 -7.449 2.816 3.992 30 3HD1 ILE 3 3HD1 ILE 3 -6.034 2.243 3.107 31 H PHE 4 H PHE 4 -4.172 4.203 -1.701 32 HA PHE 4 HA PHE 4 -2.647 1.745 -1.335 33 1HB PHE 4 1HB PHE 4 -2.562 4.094 -3.132 34 2HB PHE 4 2HB PHE 4 -0.993 3.435 -2.725 35 HD1 PHE 4 HD1 PHE 4 -4.384 2.581 -4.442 36 HD2 PHE 4 HD2 PHE 4 -0.070 1.431 -3.822 37 HE1 PHE 4 HE1 PHE 4 -4.552 0.898 -6.397 38 HE2 PHE 4 HE2 PHE 4 -0.250 -0.259 -5.777 39 HZ PHE 4 HZ PHE 4 -2.483 -0.521 -7.074 40 H VAL 5 H VAL 5 -0.714 1.448 -0.321 41 HA VAL 5 HA VAL 5 0.536 3.578 1.248 42 HB VAL 5 HB VAL 5 -1.096 2.337 2.731 43 1HG1 VAL 5 1HG1 VAL 5 -0.767 0.005 1.905 44 2HG1 VAL 5 2HG1 VAL 5 0.742 -0.044 2.817 45 3HG1 VAL 5 3HG1 VAL 5 -0.792 0.183 3.658 46 1HG2 VAL 5 1HG2 VAL 5 0.862 3.587 3.632 47 2HG2 VAL 5 2HG2 VAL 5 0.206 2.348 4.703 48 3HG2 VAL 5 3HG2 VAL 5 1.693 2.042 3.808 49 H LYS 6 H LYS 6 2.655 3.741 0.898 50 HA LYS 6 HA LYS 6 4.207 1.508 -0.264 51 1HB LYS 6 1HB LYS 6 3.621 3.886 -1.494 52 2HB LYS 6 2HB LYS 6 5.180 4.257 -0.777 53 1HG LYS 6 1HG LYS 6 6.287 2.620 -2.038 54 2HG LYS 6 2HG LYS 6 4.788 1.790 -2.447 55 1HD LYS 6 1HD LYS 6 4.282 3.225 -4.153 56 2HD LYS 6 2HD LYS 6 5.049 4.612 -3.382 57 1HE LYS 6 1HE LYS 6 6.515 4.272 -5.096 58 2HE LYS 6 2HE LYS 6 7.257 3.220 -3.893 59 1HZ LYS 6 1HZ LYS 6 5.335 2.292 -5.962 60 2HZ LYS 6 2HZ LYS 6 7.016 2.200 -6.121 61 3HZ LYS 6 3HZ LYS 6 6.235 1.326 -4.902 62 H THR 7 H THR 7 6.289 1.093 0.371 63 HA THR 7 HA THR 7 7.348 2.360 2.835 64 HB THR 7 HB THR 7 8.627 0.121 3.106 65 HG1 THR 7 HG1 THR 7 8.136 -0.866 1.160 66 1HG2 THR 7 1HG2 THR 7 5.718 0.531 3.676 67 2HG2 THR 7 2HG2 THR 7 6.483 -1.006 4.080 68 3HG2 THR 7 3HG2 THR 7 7.085 0.493 4.790 69 H LEU 8 H LEU 8 9.535 2.828 3.045 70 HA LEU 8 HA LEU 8 11.029 3.611 0.730 71 1HB LEU 8 1HB LEU 8 11.001 4.234 3.469 72 2HB LEU 8 2HB LEU 8 12.600 3.586 3.179 73 HG LEU 8 HG LEU 8 12.150 5.437 1.063 74 1HD1 LEU 8 1HD1 LEU 8 11.275 6.601 3.703 75 2HD1 LEU 8 2HD1 LEU 8 11.743 7.555 2.294 76 3HD1 LEU 8 3HD1 LEU 8 10.336 6.494 2.213 77 1HD2 LEU 8 1HD2 LEU 8 14.313 4.986 2.097 78 2HD2 LEU 8 2HD2 LEU 8 13.965 6.714 2.074 79 3HD2 LEU 8 3HD2 LEU 8 13.788 5.800 3.572 80 H ASP 9 H ASP 9 11.039 0.617 2.514 81 HA ASP 9 HA ASP 9 13.694 -0.368 2.019 82 1HB ASP 9 1HB ASP 9 11.750 -1.122 3.738 83 2HB ASP 9 2HB ASP 9 11.529 -2.347 2.496 84 H GLY 10 H GLY 10 10.591 -0.735 0.264 85 1HA GLY 10 2HA GLY 10 11.920 -2.185 -1.966 86 2HA GLY 10 1HA GLY 10 10.763 -0.894 -2.220 87 H LYS 11 H LYS 11 8.660 -1.444 -0.606 88 HA LYS 11 HA LYS 11 7.492 -3.923 -1.687 89 1HB LYS 11 1HB LYS 11 7.936 -3.322 1.163 90 2HB LYS 11 2HB LYS 11 6.267 -3.718 0.806 91 1HG LYS 11 1HG LYS 11 6.762 -5.874 0.885 92 2HG LYS 11 2HG LYS 11 7.806 -5.686 -0.515 93 1HD LYS 11 1HD LYS 11 9.579 -6.218 0.742 94 2HD LYS 11 2HD LYS 11 9.321 -4.784 1.728 95 1HE LYS 11 1HE LYS 11 9.253 -6.393 3.352 96 2HE LYS 11 2HE LYS 11 7.545 -6.362 2.919 97 1HZ LYS 11 1HZ LYS 11 8.058 -8.226 1.354 98 2HZ LYS 11 2HZ LYS 11 9.593 -8.326 2.055 99 3HZ LYS 11 3HZ LYS 11 8.217 -8.614 2.993 100 H THR 12 H THR 12 5.327 -3.876 -2.218 101 HA THR 12 HA THR 12 3.701 -1.469 -1.729 102 HB THR 12 HB THR 12 2.782 -1.732 -4.145 103 HG1 THR 12 HG1 THR 12 3.758 -3.195 -5.300 104 1HG2 THR 12 1HG2 THR 12 5.436 -0.476 -3.496 105 2HG2 THR 12 2HG2 THR 12 4.684 -0.301 -5.082 106 3HG2 THR 12 3HG2 THR 12 3.857 0.295 -3.643 107 H ILE 13 H ILE 13 1.712 -1.847 -1.060 108 HA ILE 13 HA ILE 13 0.115 -4.176 -1.726 109 HB ILE 13 HB ILE 13 -0.505 -4.639 0.747 110 1HG1 ILE 13 1HG1 ILE 13 2.202 -4.349 1.847 111 2HG1 ILE 13 2HG1 ILE 13 1.601 -2.775 1.356 112 1HG2 ILE 13 1HG2 ILE 13 2.070 -5.641 -0.439 113 2HG2 ILE 13 2HG2 ILE 13 1.256 -6.379 0.941 114 3HG2 ILE 13 3HG2 ILE 13 0.451 -6.314 -0.629 115 1HD1 ILE 13 1HD1 ILE 13 0.074 -4.636 3.157 116 2HD1 ILE 13 2HD1 ILE 13 1.186 -3.398 3.744 117 3HD1 ILE 13 3HD1 ILE 13 -0.254 -2.932 2.837 118 H THR 14 H THR 14 -2.065 -3.891 -1.660 119 HA THR 14 HA THR 14 -3.105 -1.185 -1.296 120 HB THR 14 HB THR 14 -5.313 -2.205 -2.113 121 HG1 THR 14 HG1 THR 14 -3.575 -4.382 -2.742 122 1HG2 THR 14 1HG2 THR 14 -3.448 -1.016 -3.525 123 2HG2 THR 14 2HG2 THR 14 -3.318 -2.614 -4.263 124 3HG2 THR 14 3HG2 THR 14 -4.863 -1.759 -4.275 125 H LEU 15 H LEU 15 -4.695 -0.489 0.069 126 HA LEU 15 HA LEU 15 -5.559 -2.225 2.282 127 1HB LEU 15 1HB LEU 15 -4.055 0.129 2.468 128 2HB LEU 15 2HB LEU 15 -5.681 0.657 2.845 129 HG LEU 15 HG LEU 15 -5.125 -1.760 4.351 130 1HD1 LEU 15 1HD1 LEU 15 -3.070 0.411 4.729 131 2HD1 LEU 15 2HD1 LEU 15 -3.337 -0.951 5.819 132 3HD1 LEU 15 3HD1 LEU 15 -2.774 -1.236 4.172 133 1HD2 LEU 15 1HD2 LEU 15 -6.785 -0.025 4.945 134 2HD2 LEU 15 2HD2 LEU 15 -5.692 -0.418 6.271 135 3HD2 LEU 15 3HD2 LEU 15 -5.461 1.068 5.348 136 H GLU 16 H GLU 16 -7.511 -2.908 1.866 137 HA GLU 16 HA GLU 16 -9.614 -1.122 0.811 138 1HB GLU 16 1HB GLU 16 -8.735 -3.828 -0.078 139 2HB GLU 16 2HB GLU 16 -10.462 -3.505 -0.112 140 1HG GLU 16 1HG GLU 16 -9.703 -1.335 -1.400 141 2HG GLU 16 2HG GLU 16 -8.263 -2.294 -1.728 142 H VAL 17 H VAL 17 -11.695 -1.274 1.588 143 HA VAL 17 HA VAL 17 -12.450 -3.221 3.635 144 HB VAL 17 HB VAL 17 -13.535 -1.373 5.088 145 1HG1 VAL 17 1HG1 VAL 17 -11.666 -2.833 5.749 146 2HG1 VAL 17 2HG1 VAL 17 -10.542 -1.584 5.213 147 3HG1 VAL 17 3HG1 VAL 17 -11.654 -1.258 6.543 148 1HG2 VAL 17 1HG2 VAL 17 -13.092 0.639 3.686 149 2HG2 VAL 17 2HG2 VAL 17 -12.414 0.791 5.309 150 3HG2 VAL 17 3HG2 VAL 17 -11.361 0.420 3.944 No H/Q in entry = 150 Start of MODEL 24 1 H1 MET 1 H1 MET 1 -13.630 0.543 -2.478 2 H2 MET 1 H2 MET 1 -13.989 0.613 -0.827 3 H3 MET 1 H3 MET 1 -14.788 1.638 -1.912 4 HA MET 1 HA MET 1 -12.885 2.888 -2.351 5 1HB MET 1 1HB MET 1 -12.099 3.644 -0.010 6 2HB MET 1 2HB MET 1 -13.799 3.802 -0.378 7 1HG MET 1 1HG MET 1 -13.908 1.480 0.957 8 2HG MET 1 2HG MET 1 -12.418 2.111 1.656 9 1HE MET 1 1HE MET 1 -12.145 4.250 2.790 10 2HE MET 1 2HE MET 1 -13.374 4.953 3.842 11 3HE MET 1 3HE MET 1 -12.805 3.306 4.126 12 H GLN 2 H GLN 2 -10.771 3.179 -2.720 13 HA GLN 2 HA GLN 2 -8.834 1.118 -1.886 14 1HB GLN 2 1HB GLN 2 -9.298 2.296 -4.604 15 2HB GLN 2 2HB GLN 2 -7.644 1.915 -4.139 16 1HG GLN 2 1HG GLN 2 -8.116 -0.379 -3.923 17 2HG GLN 2 2HG GLN 2 -9.857 -0.108 -3.949 18 2HE2 GLN 2 2HE2 GLN 2 -6.945 -0.391 -5.898 19 1HE2 GLN 2 1HE2 GLN 2 -7.754 -0.476 -7.422 20 H ILE 3 H ILE 3 -7.073 1.739 -0.883 21 HA ILE 3 HA ILE 3 -5.974 4.428 -1.023 22 HB ILE 3 HB ILE 3 -5.676 4.476 1.575 23 1HG1 ILE 3 1HG1 ILE 3 -8.349 3.473 2.213 24 2HG1 ILE 3 2HG1 ILE 3 -7.416 2.175 1.489 25 1HG2 ILE 3 1HG2 ILE 3 -6.848 6.163 0.329 26 2HG2 ILE 3 2HG2 ILE 3 -8.311 5.177 0.291 27 3HG2 ILE 3 3HG2 ILE 3 -7.723 5.826 1.822 28 1HD1 ILE 3 1HD1 ILE 3 -6.096 3.707 3.640 29 2HD1 ILE 3 2HD1 ILE 3 -7.453 2.676 4.096 30 3HD1 ILE 3 3HD1 ILE 3 -6.054 1.982 3.275 31 H PHE 4 H PHE 4 -3.920 4.399 -1.337 32 HA PHE 4 HA PHE 4 -2.327 1.979 -0.865 33 1HB PHE 4 1HB PHE 4 -2.487 3.994 -2.998 34 2HB PHE 4 2HB PHE 4 -0.837 3.654 -2.520 35 HD1 PHE 4 HD1 PHE 4 -3.998 2.192 -4.170 36 HD2 PHE 4 HD2 PHE 4 0.326 1.468 -3.100 37 HE1 PHE 4 HE1 PHE 4 -3.933 0.176 -5.781 38 HE2 PHE 4 HE2 PHE 4 0.373 -0.560 -4.706 39 HZ PHE 4 HZ PHE 4 -1.750 -1.204 -6.056 40 H VAL 5 H VAL 5 -0.355 1.921 0.099 41 HA VAL 5 HA VAL 5 0.940 4.276 1.219 42 HB VAL 5 HB VAL 5 1.365 3.065 3.478 43 1HG1 VAL 5 1HG1 VAL 5 0.130 5.115 3.314 44 2HG1 VAL 5 2HG1 VAL 5 -1.346 4.237 2.917 45 3HG1 VAL 5 3HG1 VAL 5 -0.616 4.058 4.513 46 1HG2 VAL 5 1HG2 VAL 5 0.241 0.857 2.898 47 2HG2 VAL 5 2HG2 VAL 5 -0.263 1.578 4.426 48 3HG2 VAL 5 3HG2 VAL 5 -1.306 1.700 3.009 49 H LYS 6 H LYS 6 3.053 4.277 0.904 50 HA LYS 6 HA LYS 6 4.450 1.781 0.147 51 1HB LYS 6 1HB LYS 6 4.605 4.566 -0.950 52 2HB LYS 6 2HB LYS 6 6.036 3.549 -1.025 53 1HG LYS 6 1HG LYS 6 4.442 1.809 -2.116 54 2HG LYS 6 2HG LYS 6 3.387 3.196 -2.386 55 1HD LYS 6 1HD LYS 6 5.454 4.298 -3.459 56 2HD LYS 6 2HD LYS 6 6.136 2.672 -3.485 57 1HE LYS 6 1HE LYS 6 4.055 1.944 -4.708 58 2HE LYS 6 2HE LYS 6 3.645 3.653 -4.862 59 1HZ LYS 6 1HZ LYS 6 5.825 3.958 -5.978 60 2HZ LYS 6 2HZ LYS 6 6.031 2.278 -5.968 61 3HZ LYS 6 3HZ LYS 6 4.754 2.969 -6.836 62 H THR 7 H THR 7 6.437 1.254 0.885 63 HA THR 7 HA THR 7 7.440 2.468 3.365 64 HB THR 7 HB THR 7 8.982 0.383 3.329 65 HG1 THR 7 HG1 THR 7 8.647 -0.289 1.216 66 1HG2 THR 7 1HG2 THR 7 6.959 0.700 4.802 67 2HG2 THR 7 2HG2 THR 7 6.038 -0.210 3.606 68 3HG2 THR 7 3HG2 THR 7 7.382 -0.976 4.454 69 H LEU 8 H LEU 8 8.476 1.900 0.010 70 HA LEU 8 HA LEU 8 10.040 2.712 -1.400 71 1HB LEU 8 1HB LEU 8 10.772 4.541 0.888 72 2HB LEU 8 2HB LEU 8 11.826 4.451 -0.505 73 HG LEU 8 HG LEU 8 9.069 4.845 -1.377 74 1HD1 LEU 8 1HD1 LEU 8 8.727 5.919 0.782 75 2HD1 LEU 8 2HD1 LEU 8 10.114 6.969 0.488 76 3HD1 LEU 8 3HD1 LEU 8 8.681 7.093 -0.533 77 1HD2 LEU 8 1HD2 LEU 8 11.172 5.342 -2.661 78 2HD2 LEU 8 2HD2 LEU 8 9.962 6.624 -2.676 79 3HD2 LEU 8 3HD2 LEU 8 11.378 6.763 -1.636 80 H ASP 9 H ASP 9 10.781 0.846 1.303 81 HA ASP 9 HA ASP 9 13.593 0.295 0.991 82 1HB ASP 9 1HB ASP 9 11.846 -0.115 3.029 83 2HB ASP 9 2HB ASP 9 11.919 -1.739 2.356 84 H GLY 10 H GLY 10 10.601 -1.287 -0.206 85 1HA GLY 10 2HA GLY 10 12.068 -3.440 -1.596 86 2HA GLY 10 1HA GLY 10 11.144 -2.310 -2.561 87 H LYS 11 H LYS 11 8.864 -2.050 -0.749 88 HA LYS 11 HA LYS 11 7.320 -4.390 -1.491 89 1HB LYS 11 1HB LYS 11 6.254 -4.678 0.833 90 2HB LYS 11 2HB LYS 11 7.844 -5.362 0.600 91 1HG LYS 11 1HG LYS 11 8.680 -3.183 1.790 92 2HG LYS 11 2HG LYS 11 7.005 -3.035 2.318 93 1HD LYS 11 1HD LYS 11 7.270 -5.463 3.136 94 2HD LYS 11 2HD LYS 11 9.001 -5.191 2.943 95 1HE LYS 11 1HE LYS 11 8.999 -3.448 4.551 96 2HE LYS 11 2HE LYS 11 7.237 -3.379 4.573 97 1HZ LYS 11 1HZ LYS 11 8.855 -5.689 5.505 98 2HZ LYS 11 2HZ LYS 11 8.165 -4.521 6.516 99 3HZ LYS 11 3HZ LYS 11 7.173 -5.541 5.600 100 H THR 12 H THR 12 5.189 -4.037 -1.905 101 HA THR 12 HA THR 12 3.918 -1.456 -1.234 102 HB THR 12 HB THR 12 2.832 -1.500 -3.582 103 HG1 THR 12 HG1 THR 12 3.534 -2.935 -4.949 104 1HG2 THR 12 1HG2 THR 12 5.666 -0.676 -3.049 105 2HG2 THR 12 2HG2 THR 12 4.935 -0.418 -4.634 106 3HG2 THR 12 3HG2 THR 12 4.224 0.326 -3.203 107 H ILE 13 H ILE 13 1.862 -1.563 -0.539 108 HA ILE 13 HA ILE 13 0.041 -3.760 -1.132 109 HB ILE 13 HB ILE 13 -0.612 -4.103 1.327 110 1HG1 ILE 13 1HG1 ILE 13 2.080 -3.854 2.485 111 2HG1 ILE 13 2HG1 ILE 13 1.521 -2.284 1.930 112 1HG2 ILE 13 1HG2 ILE 13 1.971 -5.262 0.304 113 2HG2 ILE 13 2HG2 ILE 13 1.027 -5.919 1.641 114 3HG2 ILE 13 3HG2 ILE 13 0.335 -5.858 0.018 115 1HD1 ILE 13 1HD1 ILE 13 -0.044 -4.063 3.783 116 2HD1 ILE 13 2HD1 ILE 13 1.029 -2.768 4.316 117 3HD1 ILE 13 3HD1 ILE 13 -0.401 -2.390 3.352 118 H THR 14 H THR 14 -2.125 -3.353 -0.978 119 HA THR 14 HA THR 14 -3.018 -0.688 -0.097 120 HB THR 14 HB THR 14 -3.134 -0.535 -2.494 121 HG1 THR 14 HG1 THR 14 -4.840 0.539 -1.842 122 1HG2 THR 14 1HG2 THR 14 -3.336 -3.025 -3.056 123 2HG2 THR 14 2HG2 THR 14 -5.070 -2.836 -2.791 124 3HG2 THR 14 3HG2 THR 14 -4.262 -1.901 -4.053 125 H LEU 15 H LEU 15 -4.964 -0.421 0.924 126 HA LEU 15 HA LEU 15 -6.181 -2.813 2.139 127 1HB LEU 15 1HB LEU 15 -5.003 -0.702 3.386 128 2HB LEU 15 2HB LEU 15 -6.668 -0.159 3.365 129 HG LEU 15 HG LEU 15 -6.634 -2.900 4.293 130 1HD1 LEU 15 1HD1 LEU 15 -4.316 -2.541 4.938 131 2HD1 LEU 15 2HD1 LEU 15 -4.783 -1.106 5.852 132 3HD1 LEU 15 3HD1 LEU 15 -5.357 -2.696 6.354 133 1HD2 LEU 15 1HD2 LEU 15 -7.244 -0.340 5.769 134 2HD2 LEU 15 2HD2 LEU 15 -8.388 -1.300 4.832 135 3HD2 LEU 15 3HD2 LEU 15 -7.673 -1.967 6.300 136 H GLU 16 H GLU 16 -8.212 -3.360 1.775 137 HA GLU 16 HA GLU 16 -10.215 -1.493 0.671 138 1HB GLU 16 1HB GLU 16 -9.212 -4.032 -0.564 139 2HB GLU 16 2HB GLU 16 -10.924 -3.669 -0.721 140 1HG GLU 16 1HG GLU 16 -10.079 -1.351 -1.571 141 2HG GLU 16 2HG GLU 16 -8.564 -2.208 -1.849 142 H VAL 17 H VAL 17 -12.367 -1.848 1.195 143 HA VAL 17 HA VAL 17 -12.935 -3.493 3.535 144 HB VAL 17 HB VAL 17 -15.282 -2.415 3.479 145 1HG1 VAL 17 1HG1 VAL 17 -13.542 -1.852 5.083 146 2HG1 VAL 17 2HG1 VAL 17 -12.929 -0.613 3.987 147 3HG1 VAL 17 3HG1 VAL 17 -14.543 -0.458 4.680 148 1HG2 VAL 17 1HG2 VAL 17 -15.349 -1.412 1.228 149 2HG2 VAL 17 2HG2 VAL 17 -15.517 -0.168 2.470 150 3HG2 VAL 17 3HG2 VAL 17 -13.980 -0.378 1.634 No H/Q in entry = 150 Start of MODEL 25 1 H1 MET 1 H1 MET 1 -14.025 -0.038 -1.171 2 H2 MET 1 H2 MET 1 -13.718 -0.144 0.489 3 H3 MET 1 H3 MET 1 -14.938 0.879 -0.080 4 HA MET 1 HA MET 1 -13.339 2.273 -1.182 5 1HB MET 1 1HB MET 1 -13.857 2.101 1.527 6 2HB MET 1 2HB MET 1 -12.101 2.123 1.496 7 1HG MET 1 2HG MET 1 -12.463 4.349 1.635 8 2HG MET 1 1HG MET 1 -12.545 4.197 -0.118 9 1HE MET 1 1HE MET 1 -14.462 4.374 3.192 10 2HE MET 1 2HE MET 1 -14.232 6.046 2.674 11 3HE MET 1 3HE MET 1 -15.858 5.368 2.768 12 H GLN 2 H GLN 2 -11.293 2.785 -1.887 13 HA GLN 2 HA GLN 2 -9.062 0.914 -1.474 14 1HB GLN 2 1HB GLN 2 -10.420 0.975 -3.846 15 2HB GLN 2 2HB GLN 2 -9.194 2.189 -4.156 16 1HG GLN 2 1HG GLN 2 -7.477 0.467 -3.497 17 2HG GLN 2 2HG GLN 2 -8.780 -0.716 -3.490 18 2HE2 GLN 2 2HE2 GLN 2 -6.732 1.319 -5.499 19 1HE2 GLN 2 1HE2 GLN 2 -7.171 0.589 -7.002 20 H ILE 3 H ILE 3 -7.229 1.787 -0.851 21 HA ILE 3 HA ILE 3 -6.363 4.480 -1.464 22 HB ILE 3 HB ILE 3 -5.719 4.962 1.015 23 1HG1 ILE 3 1HG1 ILE 3 -8.182 3.924 2.210 24 2HG1 ILE 3 2HG1 ILE 3 -7.254 2.583 1.560 25 1HG2 ILE 3 1HG2 ILE 3 -8.489 5.319 -0.091 26 2HG2 ILE 3 2HG2 ILE 3 -7.946 6.108 1.390 27 3HG2 ILE 3 3HG2 ILE 3 -7.126 6.439 -0.136 28 1HD1 ILE 3 1HD1 ILE 3 -5.793 4.543 3.228 29 2HD1 ILE 3 2HD1 ILE 3 -6.953 3.484 4.032 30 3HD1 ILE 3 3HD1 ILE 3 -5.618 2.791 3.110 31 H PHE 4 H PHE 4 -4.367 4.477 -2.052 32 HA PHE 4 HA PHE 4 -2.653 2.148 -1.727 33 1HB PHE 4 1HB PHE 4 -2.843 4.449 -3.581 34 2HB PHE 4 2HB PHE 4 -1.215 3.884 -3.283 35 HD1 PHE 4 HD1 PHE 4 -4.677 2.812 -4.712 36 HD2 PHE 4 HD2 PHE 4 -0.275 1.888 -4.393 37 HE1 PHE 4 HE1 PHE 4 -4.905 1.066 -6.603 38 HE2 PHE 4 HE2 PHE 4 -0.517 0.136 -6.284 39 HZ PHE 4 HZ PHE 4 -2.825 -0.271 -7.399 40 H VAL 5 H VAL 5 -0.669 1.983 -0.818 41 HA VAL 5 HA VAL 5 0.730 4.203 0.433 42 HB VAL 5 HB VAL 5 1.114 2.865 2.631 43 1HG1 VAL 5 1HG1 VAL 5 -0.051 5.005 2.472 44 2HG1 VAL 5 2HG1 VAL 5 -1.575 4.151 2.232 45 3HG1 VAL 5 3HG1 VAL 5 -0.698 3.979 3.752 46 1HG2 VAL 5 1HG2 VAL 5 -0.076 0.742 2.077 47 2HG2 VAL 5 2HG2 VAL 5 -0.705 1.505 3.535 48 3HG2 VAL 5 3HG2 VAL 5 -1.597 1.629 2.017 49 H LYS 6 H LYS 6 2.884 4.078 0.346 50 HA LYS 6 HA LYS 6 4.169 1.598 -0.616 51 1HB LYS 6 1HB LYS 6 4.050 4.042 -1.883 52 2HB LYS 6 2HB LYS 6 5.613 4.128 -1.088 53 1HG LYS 6 1HG LYS 6 6.452 2.289 -2.287 54 2HG LYS 6 2HG LYS 6 4.846 1.768 -2.782 55 1HD LYS 6 1HD LYS 6 5.029 2.916 -4.687 56 2HD LYS 6 2HD LYS 6 5.217 4.424 -3.799 57 1HE LYS 6 1HE LYS 6 7.640 4.048 -3.681 58 2HE LYS 6 2HE LYS 6 7.450 2.527 -4.552 59 1HZ LYS 6 1HZ LYS 6 6.485 3.851 -6.407 60 2HZ LYS 6 2HZ LYS 6 6.921 5.260 -5.578 61 3HZ LYS 6 3HZ LYS 6 8.116 4.180 -6.100 62 H THR 7 H THR 7 6.110 0.885 0.173 63 HA THR 7 HA THR 7 7.034 1.877 2.786 64 HB THR 7 HB THR 7 8.200 -0.682 1.966 65 HG1 THR 7 HG1 THR 7 5.372 -0.580 2.276 66 1HG2 THR 7 1HG2 THR 7 8.199 0.292 4.289 67 2HG2 THR 7 2HG2 THR 7 6.490 -0.135 4.381 68 3HG2 THR 7 3HG2 THR 7 7.705 -1.398 4.178 69 H LEU 8 H LEU 8 9.166 2.315 3.279 70 HA LEU 8 HA LEU 8 10.884 3.403 1.256 71 1HB LEU 8 1HB LEU 8 10.711 3.399 4.165 72 2HB LEU 8 2HB LEU 8 12.372 3.287 3.629 73 HG LEU 8 HG LEU 8 11.175 5.369 2.071 74 1HD1 LEU 8 1HD1 LEU 8 9.404 5.470 3.797 75 2HD1 LEU 8 2HD1 LEU 8 10.642 5.824 5.002 76 3HD1 LEU 8 3HD1 LEU 8 10.355 6.951 3.676 77 1HD2 LEU 8 1HD2 LEU 8 13.533 5.246 2.758 78 2HD2 LEU 8 2HD2 LEU 8 12.804 6.809 3.129 79 3HD2 LEU 8 3HD2 LEU 8 13.057 5.628 4.413 80 H ASP 9 H ASP 9 10.863 0.263 2.863 81 HA ASP 9 HA ASP 9 13.571 -0.587 2.397 82 1HB ASP 9 1HB ASP 9 11.523 -1.509 3.977 83 2HB ASP 9 2HB ASP 9 11.579 -2.734 2.716 84 H GLY 10 H GLY 10 10.531 -1.005 0.555 85 1HA GLY 10 2HA GLY 10 11.936 -2.388 -1.670 86 2HA GLY 10 1HA GLY 10 10.835 -1.052 -1.947 87 H LYS 11 H LYS 11 8.642 -1.531 -0.480 88 HA LYS 11 HA LYS 11 7.454 -4.000 -1.578 89 1HB LYS 11 1HB LYS 11 7.529 -3.154 1.295 90 2HB LYS 11 2HB LYS 11 6.054 -3.903 0.707 91 1HG LYS 11 1HG LYS 11 7.256 -5.898 0.090 92 2HG LYS 11 2HG LYS 11 8.793 -5.142 0.517 93 1HD LYS 11 1HD LYS 11 7.870 -4.872 2.854 94 2HD LYS 11 2HD LYS 11 6.534 -5.910 2.356 95 1HE LYS 11 1HE LYS 11 8.315 -7.597 1.665 96 2HE LYS 11 2HE LYS 11 9.455 -6.589 2.559 97 1HZ LYS 11 1HZ LYS 11 8.049 -6.880 4.534 98 2HZ LYS 11 2HZ LYS 11 7.043 -7.923 3.663 99 3HZ LYS 11 3HZ LYS 11 8.653 -8.350 3.958 100 H THR 12 H THR 12 5.293 -3.915 -2.198 101 HA THR 12 HA THR 12 3.745 -1.428 -1.909 102 HB THR 12 HB THR 12 2.913 -1.798 -4.349 103 HG1 THR 12 HG1 THR 12 5.439 -3.112 -4.493 104 1HG2 THR 12 1HG2 THR 12 5.641 -0.642 -3.771 105 2HG2 THR 12 2HG2 THR 12 4.773 -0.410 -5.289 106 3HG2 THR 12 3HG2 THR 12 4.095 0.207 -3.783 107 H ILE 13 H ILE 13 1.740 -1.726 -1.239 108 HA ILE 13 HA ILE 13 0.069 -4.004 -1.865 109 HB ILE 13 HB ILE 13 -0.584 -4.408 0.566 110 1HG1 ILE 13 1HG1 ILE 13 0.611 -2.730 1.888 111 2HG1 ILE 13 2HG1 ILE 13 1.093 -4.316 2.409 112 1HG2 ILE 13 1HG2 ILE 13 0.336 -6.102 -0.821 113 2HG2 ILE 13 2HG2 ILE 13 1.981 -5.607 -0.421 114 3HG2 ILE 13 3HG2 ILE 13 0.937 -6.284 0.829 115 1HD1 ILE 13 1HD1 ILE 13 3.325 -3.932 1.295 116 2HD1 ILE 13 2HD1 ILE 13 2.799 -2.296 0.898 117 3HD1 ILE 13 3HD1 ILE 13 2.967 -2.785 2.586 118 H THR 14 H THR 14 -2.101 -3.649 -1.784 119 HA THR 14 HA THR 14 -3.063 -0.909 -1.417 120 HB THR 14 HB THR 14 -5.297 -1.862 -2.264 121 HG1 THR 14 HG1 THR 14 -5.330 -3.880 -3.093 122 1HG2 THR 14 1HG2 THR 14 -3.776 -0.564 -3.676 123 2HG2 THR 14 2HG2 THR 14 -2.980 -2.060 -4.172 124 3HG2 THR 14 3HG2 THR 14 -4.677 -1.786 -4.573 125 H LEU 15 H LEU 15 -4.635 -0.190 -0.030 126 HA LEU 15 HA LEU 15 -5.410 -1.924 2.220 127 1HB LEU 15 1HB LEU 15 -4.118 0.543 2.288 128 2HB LEU 15 2HB LEU 15 -5.780 0.971 2.623 129 HG LEU 15 HG LEU 15 -5.060 -1.309 4.270 130 1HD1 LEU 15 1HD1 LEU 15 -3.193 1.040 4.549 131 2HD1 LEU 15 2HD1 LEU 15 -3.355 -0.287 5.700 132 3HD1 LEU 15 3HD1 LEU 15 -2.755 -0.601 4.072 133 1HD2 LEU 15 1HD2 LEU 15 -5.758 1.545 4.960 134 2HD2 LEU 15 2HD2 LEU 15 -6.860 0.170 4.866 135 3HD2 LEU 15 3HD2 LEU 15 -5.631 0.230 6.129 136 H GLU 16 H GLU 16 -7.260 -2.840 1.788 137 HA GLU 16 HA GLU 16 -9.567 -1.315 0.755 138 1HB GLU 16 1HB GLU 16 -8.387 -3.897 -0.148 139 2HB GLU 16 2HB GLU 16 -10.142 -3.794 -0.142 140 1HG GLU 16 1HG GLU 16 -9.716 -1.564 -1.453 141 2HG GLU 16 2HG GLU 16 -8.151 -2.296 -1.795 142 H VAL 17 H VAL 17 -11.604 -1.704 1.571 143 HA VAL 17 HA VAL 17 -12.102 -3.725 3.622 144 HB VAL 17 HB VAL 17 -13.350 -2.014 5.110 145 1HG1 VAL 17 1HG1 VAL 17 -11.329 -3.269 5.733 146 2HG1 VAL 17 2HG1 VAL 17 -10.348 -1.914 5.174 147 3HG1 VAL 17 3HG1 VAL 17 -11.458 -1.699 6.528 148 1HG2 VAL 17 1HG2 VAL 17 -11.484 -0.012 3.787 149 2HG2 VAL 17 2HG2 VAL 17 -13.243 0.070 3.866 150 3HG2 VAL 17 3HG2 VAL 17 -12.288 0.250 5.336 No H/Q in entry = 150 Start of MODEL 26 1 H1 MET 1 H1 MET 1 -13.891 0.626 -2.146 2 H2 MET 1 H2 MET 1 -13.833 0.258 -0.495 3 H3 MET 1 H3 MET 1 -14.830 1.507 -1.049 4 HA MET 1 HA MET 1 -12.933 2.795 -1.730 5 1HB MET 1 1HB MET 1 -13.862 2.381 0.825 6 2HB MET 1 2HB MET 1 -12.141 2.108 1.042 7 1HG MET 1 1HG MET 1 -11.624 4.285 0.794 8 2HG MET 1 2HG MET 1 -12.853 4.559 -0.444 9 1HE MET 1 1HE MET 1 -11.955 4.170 3.173 10 2HE MET 1 2HE MET 1 -11.983 5.928 3.020 11 3HE MET 1 3HE MET 1 -13.156 5.114 4.057 12 H GLN 2 H GLN 2 -10.773 3.090 -2.124 13 HA GLN 2 HA GLN 2 -8.851 0.911 -1.671 14 1HB GLN 2 1HB GLN 2 -9.533 2.211 -4.284 15 2HB GLN 2 2HB GLN 2 -7.848 1.798 -3.985 16 1HG GLN 2 1HG GLN 2 -8.375 -0.514 -3.746 17 2HG GLN 2 2HG GLN 2 -10.106 -0.182 -3.758 18 2HE2 GLN 2 2HE2 GLN 2 -7.210 -0.510 -5.724 19 1HE2 GLN 2 1HE2 GLN 2 -8.026 -0.525 -7.247 20 H ILE 3 H ILE 3 -7.017 1.460 -0.772 21 HA ILE 3 HA ILE 3 -5.842 4.114 -0.915 22 HB ILE 3 HB ILE 3 -5.390 4.098 1.666 23 1HG1 ILE 3 1HG1 ILE 3 -8.068 3.218 2.440 24 2HG1 ILE 3 2HG1 ILE 3 -7.248 1.890 1.637 25 1HG2 ILE 3 1HG2 ILE 3 -6.595 5.822 0.419 26 2HG2 ILE 3 2HG2 ILE 3 -8.102 4.932 0.645 27 3HG2 ILE 3 3HG2 ILE 3 -7.253 5.600 2.039 28 1HD1 ILE 3 1HD1 ILE 3 -5.848 3.359 3.816 29 2HD1 ILE 3 2HD1 ILE 3 -7.103 2.183 4.208 30 3HD1 ILE 3 3HD1 ILE 3 -5.679 1.682 3.294 31 H PHE 4 H PHE 4 -3.806 4.026 -1.326 32 HA PHE 4 HA PHE 4 -2.266 1.548 -0.960 33 1HB PHE 4 1HB PHE 4 -2.420 3.642 -3.050 34 2HB PHE 4 2HB PHE 4 -0.796 3.090 -2.699 35 HD1 PHE 4 HD1 PHE 4 -4.237 2.028 -4.115 36 HD2 PHE 4 HD2 PHE 4 0.065 0.839 -3.454 37 HE1 PHE 4 HE1 PHE 4 -4.520 0.065 -5.768 38 HE2 PHE 4 HE2 PHE 4 -0.229 -1.116 -5.123 39 HZ PHE 4 HZ PHE 4 -2.518 -1.506 -6.282 40 H VAL 5 H VAL 5 -0.234 1.442 -0.102 41 HA VAL 5 HA VAL 5 1.038 3.806 1.094 42 HB VAL 5 HB VAL 5 1.774 2.364 3.125 43 1HG1 VAL 5 1HG1 VAL 5 0.211 4.312 3.128 44 2HG1 VAL 5 2HG1 VAL 5 -1.120 3.154 3.131 45 3HG1 VAL 5 3HG1 VAL 5 0.027 3.183 4.470 46 1HG2 VAL 5 1HG2 VAL 5 0.783 0.151 2.338 47 2HG2 VAL 5 2HG2 VAL 5 0.384 0.619 3.993 48 3HG2 VAL 5 3HG2 VAL 5 -0.805 0.824 2.707 49 H LYS 6 H LYS 6 3.148 4.032 0.777 50 HA LYS 6 HA LYS 6 4.721 1.827 -0.401 51 1HB LYS 6 1HB LYS 6 4.007 4.144 -1.659 52 2HB LYS 6 2HB LYS 6 5.570 4.603 -1.002 53 1HG LYS 6 1HG LYS 6 6.736 3.141 -2.336 54 2HG LYS 6 2HG LYS 6 5.381 2.024 -2.496 55 1HD LYS 6 1HD LYS 6 4.425 3.198 -4.231 56 2HD LYS 6 2HD LYS 6 5.121 4.741 -3.727 57 1HE LYS 6 1HE LYS 6 7.257 4.154 -4.598 58 2HE LYS 6 2HE LYS 6 6.768 2.479 -4.846 59 1HZ LYS 6 1HZ LYS 6 5.540 4.776 -6.266 60 2HZ LYS 6 2HZ LYS 6 6.813 3.858 -6.895 61 3HZ LYS 6 3HZ LYS 6 5.314 3.133 -6.593 62 H THR 7 H THR 7 6.825 1.477 0.156 63 HA THR 7 HA THR 7 8.036 2.915 2.449 64 HB THR 7 HB THR 7 9.171 0.655 2.990 65 HG1 THR 7 HG1 THR 7 8.596 -0.633 1.313 66 1HG2 THR 7 1HG2 THR 7 6.323 1.337 3.602 67 2HG2 THR 7 2HG2 THR 7 6.995 -0.192 4.173 68 3HG2 THR 7 3HG2 THR 7 7.732 1.334 4.663 69 H LEU 8 H LEU 8 10.271 3.225 2.483 70 HA LEU 8 HA LEU 8 11.667 3.596 0.017 71 1HB LEU 8 1HB LEU 8 12.277 4.013 2.905 72 2HB LEU 8 2HB LEU 8 13.631 3.992 1.793 73 HG LEU 8 HG LEU 8 11.601 5.723 0.679 74 1HD1 LEU 8 1HD1 LEU 8 10.788 5.914 3.011 75 2HD1 LEU 8 2HD1 LEU 8 12.368 6.555 3.466 76 3HD1 LEU 8 3HD1 LEU 8 11.356 7.434 2.320 77 1HD2 LEU 8 1HD2 LEU 8 14.330 6.308 1.820 78 2HD2 LEU 8 2HD2 LEU 8 13.929 5.965 0.137 79 3HD2 LEU 8 3HD2 LEU 8 13.359 7.452 0.893 80 H ASP 9 H ASP 9 11.534 0.806 2.095 81 HA ASP 9 HA ASP 9 14.051 -0.470 1.508 82 1HB ASP 9 1HB ASP 9 11.592 -1.207 3.010 83 2HB ASP 9 2HB ASP 9 12.568 -2.540 2.405 84 H GLY 10 H GLY 10 10.753 -0.749 0.116 85 1HA GLY 10 2HA GLY 10 11.729 -2.535 -2.051 86 2HA GLY 10 1HA GLY 10 10.668 -1.171 -2.349 87 H LYS 11 H LYS 11 8.678 -1.329 -0.537 88 HA LYS 11 HA LYS 11 7.213 -3.793 -1.215 89 1HB LYS 11 1HB LYS 11 7.905 -2.885 1.518 90 2HB LYS 11 2HB LYS 11 6.214 -3.289 1.298 91 1HG LYS 11 1HG LYS 11 6.644 -5.459 1.470 92 2HG LYS 11 2HG LYS 11 7.790 -5.391 0.142 93 1HD LYS 11 1HD LYS 11 9.440 -5.856 1.581 94 2HD LYS 11 2HD LYS 11 9.170 -4.310 2.372 95 1HE LYS 11 1HE LYS 11 8.952 -5.718 4.164 96 2HE LYS 11 2HE LYS 11 7.273 -5.679 3.625 97 1HZ LYS 11 1HZ LYS 11 7.676 -7.745 2.409 98 2HZ LYS 11 2HZ LYS 11 9.270 -7.784 2.974 99 3HZ LYS 11 3HZ LYS 11 7.984 -7.935 4.062 100 H THR 12 H THR 12 5.041 -3.604 -1.594 101 HA THR 12 HA THR 12 3.585 -1.085 -1.177 102 HB THR 12 HB THR 12 2.545 -1.386 -3.543 103 HG1 THR 12 HG1 THR 12 5.028 -2.730 -3.933 104 1HG2 THR 12 1HG2 THR 12 5.277 -0.229 -3.050 105 2HG2 THR 12 2HG2 THR 12 4.468 -0.073 -4.609 106 3HG2 THR 12 3HG2 THR 12 3.728 0.607 -3.159 107 H ILE 13 H ILE 13 1.568 -1.347 -0.458 108 HA ILE 13 HA ILE 13 -0.068 -3.703 -0.966 109 HB ILE 13 HB ILE 13 -0.693 -3.996 1.514 110 1HG1 ILE 13 1HG1 ILE 13 2.003 -3.509 2.609 111 2HG1 ILE 13 2HG1 ILE 13 1.295 -2.008 2.035 112 1HG2 ILE 13 1HG2 ILE 13 1.950 -5.013 0.489 113 2HG2 ILE 13 2HG2 ILE 13 1.080 -5.685 1.871 114 3HG2 ILE 13 3HG2 ILE 13 0.356 -5.733 0.261 115 1HD1 ILE 13 1HD1 ILE 13 -0.064 -3.870 3.970 116 2HD1 ILE 13 2HD1 ILE 13 0.910 -2.477 4.444 117 3HD1 ILE 13 3HD1 ILE 13 -0.571 -2.243 3.516 118 H THR 14 H THR 14 -2.243 -3.448 -0.874 119 HA THR 14 HA THR 14 -3.348 -0.838 -0.075 120 HB THR 14 HB THR 14 -3.366 -0.746 -2.483 121 HG1 THR 14 HG1 THR 14 -5.984 -1.205 -1.501 122 1HG2 THR 14 1HG2 THR 14 -3.854 -3.504 -2.620 123 2HG2 THR 14 2HG2 THR 14 -5.326 -2.753 -3.237 124 3HG2 THR 14 3HG2 THR 14 -3.766 -2.369 -3.969 125 H LEU 15 H LEU 15 -5.373 -0.684 0.829 126 HA LEU 15 HA LEU 15 -6.567 -3.136 1.957 127 1HB LEU 15 1HB LEU 15 -5.381 -1.127 3.360 128 2HB LEU 15 2HB LEU 15 -7.037 -0.558 3.341 129 HG LEU 15 HG LEU 15 -7.074 -3.350 4.092 130 1HD1 LEU 15 1HD1 LEU 15 -4.757 -3.089 4.791 131 2HD1 LEU 15 2HD1 LEU 15 -5.205 -1.708 5.792 132 3HD1 LEU 15 3HD1 LEU 15 -5.822 -3.315 6.177 133 1HD2 LEU 15 1HD2 LEU 15 -8.733 -1.564 4.681 134 2HD2 LEU 15 2HD2 LEU 15 -8.248 -2.605 6.018 135 3HD2 LEU 15 3HD2 LEU 15 -7.580 -0.979 5.880 136 H GLU 16 H GLU 16 -8.644 -3.582 1.609 137 HA GLU 16 HA GLU 16 -10.475 -1.598 0.405 138 1HB GLU 16 1HB GLU 16 -9.730 -4.332 -0.555 139 2HB GLU 16 2HB GLU 16 -11.391 -3.808 -0.789 140 1HG GLU 16 1HG GLU 16 -10.389 -1.720 -1.892 141 2HG GLU 16 2HG GLU 16 -8.873 -2.618 -1.931 142 H VAL 17 H VAL 17 -12.623 -1.624 0.946 143 HA VAL 17 HA VAL 17 -13.712 -3.605 2.814 144 HB VAL 17 HB VAL 17 -14.896 -1.735 4.155 145 1HG1 VAL 17 1HG1 VAL 17 -11.960 -2.236 4.552 146 2HG1 VAL 17 2HG1 VAL 17 -13.053 -1.578 5.770 147 3HG1 VAL 17 3HG1 VAL 17 -13.302 -3.211 5.150 148 1HG2 VAL 17 1HG2 VAL 17 -14.243 0.283 2.872 149 2HG2 VAL 17 2HG2 VAL 17 -13.701 0.380 4.548 150 3HG2 VAL 17 3HG2 VAL 17 -12.549 -0.013 3.272 No H/Q in entry = 150 Start of MODEL 27 1 H1 MET 1 H1 MET 1 -14.093 0.395 -1.886 2 H2 MET 1 H2 MET 1 -13.964 0.119 -0.222 3 H3 MET 1 H3 MET 1 -15.067 1.262 -0.808 4 HA MET 1 HA MET 1 -13.306 2.663 -1.589 5 1HB MET 1 1HB MET 1 -14.081 2.254 1.019 6 2HB MET 1 2HB MET 1 -12.334 2.138 1.158 7 1HG MET 1 1HG MET 1 -12.003 4.341 0.661 8 2HG MET 1 2HG MET 1 -13.469 4.463 -0.313 9 1HE MET 1 1HE MET 1 -11.847 4.279 3.060 10 2HE MET 1 2HE MET 1 -12.076 6.019 2.884 11 3HE MET 1 3HE MET 1 -12.937 5.139 4.149 12 H GLN 2 H GLN 2 -11.187 3.119 -2.076 13 HA GLN 2 HA GLN 2 -9.094 1.091 -1.676 14 1HB GLN 2 1HB GLN 2 -10.011 2.279 -4.265 15 2HB GLN 2 2HB GLN 2 -8.281 2.051 -4.053 16 1HG GLN 2 1HG GLN 2 -8.468 -0.263 -3.920 17 2HG GLN 2 2HG GLN 2 -10.192 -0.198 -3.553 18 2HE2 GLN 2 2HE2 GLN 2 -7.768 -0.102 -6.095 19 1HE2 GLN 2 1HE2 GLN 2 -8.879 -0.245 -7.412 20 H ILE 3 H ILE 3 -7.269 1.785 -0.852 21 HA ILE 3 HA ILE 3 -6.223 4.466 -1.136 22 HB ILE 3 HB ILE 3 -5.750 4.686 1.421 23 1HG1 ILE 3 1HG1 ILE 3 -8.375 3.668 2.277 24 2HG1 ILE 3 2HG1 ILE 3 -7.402 2.355 1.638 25 1HG2 ILE 3 1HG2 ILE 3 -7.170 6.143 -0.048 26 2HG2 ILE 3 2HG2 ILE 3 -8.576 5.261 0.551 27 3HG2 ILE 3 3HG2 ILE 3 -7.571 6.183 1.669 28 1HD1 ILE 3 1HD1 ILE 3 -6.130 4.160 3.618 29 2HD1 ILE 3 2HD1 ILE 3 -7.366 3.035 4.184 30 3HD1 ILE 3 3HD1 ILE 3 -5.927 2.426 3.364 31 H PHE 4 H PHE 4 -4.244 4.337 -1.688 32 HA PHE 4 HA PHE 4 -2.658 1.910 -1.411 33 1HB PHE 4 1HB PHE 4 -2.700 4.284 -3.173 34 2HB PHE 4 2HB PHE 4 -1.099 3.664 -2.842 35 HD1 PHE 4 HD1 PHE 4 -4.536 2.743 -4.429 36 HD2 PHE 4 HD2 PHE 4 -0.169 1.698 -4.003 37 HE1 PHE 4 HE1 PHE 4 -4.739 1.081 -6.400 38 HE2 PHE 4 HE2 PHE 4 -0.387 0.028 -5.971 39 HZ PHE 4 HZ PHE 4 -2.664 -0.275 -7.179 40 H VAL 5 H VAL 5 -0.643 1.648 -0.529 41 HA VAL 5 HA VAL 5 0.677 3.777 0.982 42 HB VAL 5 HB VAL 5 1.197 2.129 2.922 43 1HG1 VAL 5 1HG1 VAL 5 -0.151 4.178 3.091 44 2HG1 VAL 5 2HG1 VAL 5 -1.600 3.220 2.787 45 3HG1 VAL 5 3HG1 VAL 5 -0.634 2.923 4.233 46 1HG2 VAL 5 1HG2 VAL 5 0.044 0.083 1.874 47 2HG2 VAL 5 2HG2 VAL 5 -0.318 0.416 3.569 48 3HG2 VAL 5 3HG2 VAL 5 -1.482 0.849 2.317 49 H LYS 6 H LYS 6 2.823 3.846 0.832 50 HA LYS 6 HA LYS 6 4.324 1.590 -0.345 51 1HB LYS 6 1HB LYS 6 3.750 3.915 -1.669 52 2HB LYS 6 2HB LYS 6 5.308 4.315 -0.966 53 1HG LYS 6 1HG LYS 6 6.425 2.653 -2.169 54 2HG LYS 6 2HG LYS 6 4.940 1.770 -2.518 55 1HD LYS 6 1HD LYS 6 4.329 3.185 -4.235 56 2HD LYS 6 2HD LYS 6 5.248 4.549 -3.597 57 1HE LYS 6 1HE LYS 6 7.295 3.655 -4.368 58 2HE LYS 6 2HE LYS 6 6.574 2.078 -4.688 59 1HZ LYS 6 1HZ LYS 6 5.893 4.577 -6.142 60 2HZ LYS 6 2HZ LYS 6 6.946 3.382 -6.715 61 3HZ LYS 6 3HZ LYS 6 5.309 3.027 -6.484 62 H THR 7 H THR 7 6.412 1.191 0.288 63 HA THR 7 HA THR 7 7.520 2.575 2.667 64 HB THR 7 HB THR 7 8.718 0.322 3.103 65 HG1 THR 7 HG1 THR 7 8.160 -1.335 1.938 66 1HG2 THR 7 1HG2 THR 7 5.833 0.880 3.658 67 2HG2 THR 7 2HG2 THR 7 6.537 -0.656 4.164 68 3HG2 THR 7 3HG2 THR 7 7.208 0.861 4.764 69 H LEU 8 H LEU 8 9.720 2.987 2.810 70 HA LEU 8 HA LEU 8 11.213 3.515 0.420 71 1HB LEU 8 1HB LEU 8 11.534 3.995 3.322 72 2HB LEU 8 2HB LEU 8 13.029 3.913 2.417 73 HG LEU 8 HG LEU 8 11.278 5.634 0.934 74 1HD1 LEU 8 1HD1 LEU 8 9.978 5.909 3.007 75 2HD1 LEU 8 2HD1 LEU 8 11.430 6.497 3.816 76 3HD1 LEU 8 3HD1 LEU 8 10.743 7.405 2.470 77 1HD2 LEU 8 1HD2 LEU 8 13.739 5.762 1.007 78 2HD2 LEU 8 2HD2 LEU 8 12.963 7.318 1.300 79 3HD2 LEU 8 3HD2 LEU 8 13.638 6.401 2.648 80 H ASP 9 H ASP 9 11.135 0.691 2.455 81 HA ASP 9 HA ASP 9 13.750 -0.427 2.042 82 1HB ASP 9 1HB ASP 9 11.255 -1.275 3.363 83 2HB ASP 9 2HB ASP 9 12.208 -2.598 2.701 84 H GLY 10 H GLY 10 10.634 -0.828 0.322 85 1HA GLY 10 2HA GLY 10 11.902 -2.510 -1.776 86 2HA GLY 10 1HA GLY 10 10.805 -1.192 -2.145 87 H LYS 11 H LYS 11 8.676 -1.513 -0.499 88 HA LYS 11 HA LYS 11 7.397 -4.011 -1.391 89 1HB LYS 11 1HB LYS 11 7.828 -3.197 1.420 90 2HB LYS 11 2HB LYS 11 6.170 -3.628 1.053 91 1HG LYS 11 1HG LYS 11 6.662 -5.775 1.272 92 2HG LYS 11 2HG LYS 11 7.780 -5.671 -0.078 93 1HD LYS 11 1HD LYS 11 9.487 -6.097 1.303 94 2HD LYS 11 2HD LYS 11 9.162 -4.610 2.183 95 1HE LYS 11 1HE LYS 11 9.011 -6.110 3.898 96 2HE LYS 11 2HE LYS 11 7.331 -6.139 3.364 97 1HZ LYS 11 1HZ LYS 11 7.954 -8.089 1.962 98 2HZ LYS 11 2HZ LYS 11 9.459 -8.109 2.732 99 3HZ LYS 11 3HZ LYS 11 8.048 -8.369 3.627 100 H THR 12 H THR 12 5.250 -3.903 -1.947 101 HA THR 12 HA THR 12 3.692 -1.432 -1.598 102 HB THR 12 HB THR 12 2.823 -1.750 -4.029 103 HG1 THR 12 HG1 THR 12 5.355 -3.039 -4.250 104 1HG2 THR 12 1HG2 THR 12 5.500 -0.544 -3.368 105 2HG2 THR 12 2HG2 THR 12 4.765 -0.383 -4.964 106 3HG2 THR 12 3HG2 THR 12 3.943 0.265 -3.544 107 H ILE 13 H ILE 13 1.677 -1.753 -0.954 108 HA ILE 13 HA ILE 13 0.056 -4.076 -1.594 109 HB ILE 13 HB ILE 13 -0.631 -4.464 0.869 110 1HG1 ILE 13 1HG1 ILE 13 2.041 -4.159 2.046 111 2HG1 ILE 13 2HG1 ILE 13 1.469 -2.595 1.488 112 1HG2 ILE 13 1HG2 ILE 13 1.984 -5.518 -0.179 113 2HG2 ILE 13 2HG2 ILE 13 1.081 -6.221 1.164 114 3HG2 ILE 13 3HG2 ILE 13 0.368 -6.172 -0.449 115 1HD1 ILE 13 1HD1 ILE 13 -0.105 -4.396 3.311 116 2HD1 ILE 13 2HD1 ILE 13 0.962 -3.107 3.870 117 3HD1 ILE 13 3HD1 ILE 13 -0.456 -2.717 2.897 118 H THR 14 H THR 14 -2.122 -3.774 -1.569 119 HA THR 14 HA THR 14 -3.152 -1.049 -1.237 120 HB THR 14 HB THR 14 -5.327 -2.053 -2.172 121 HG1 THR 14 HG1 THR 14 -5.273 -4.047 -3.048 122 1HG2 THR 14 1HG2 THR 14 -3.420 -0.798 -3.461 123 2HG2 THR 14 2HG2 THR 14 -3.238 -2.368 -4.247 124 3HG2 THR 14 3HG2 THR 14 -4.790 -1.528 -4.296 125 H LEU 15 H LEU 15 -4.808 -0.390 0.083 126 HA LEU 15 HA LEU 15 -5.701 -2.195 2.231 127 1HB LEU 15 1HB LEU 15 -4.378 0.299 2.433 128 2HB LEU 15 2HB LEU 15 -6.040 0.626 2.874 129 HG LEU 15 HG LEU 15 -5.159 -1.764 4.270 130 1HD1 LEU 15 1HD1 LEU 15 -2.896 -0.728 3.926 131 2HD1 LEU 15 2HD1 LEU 15 -3.446 0.616 4.926 132 3HD1 LEU 15 3HD1 LEU 15 -3.364 -1.011 5.603 133 1HD2 LEU 15 1HD2 LEU 15 -6.997 -0.217 4.944 134 2HD2 LEU 15 2HD2 LEU 15 -5.867 -0.610 6.239 135 3HD2 LEU 15 3HD2 LEU 15 -5.768 0.952 5.428 136 H GLU 16 H GLU 16 -7.596 -2.978 1.749 137 HA GLU 16 HA GLU 16 -9.762 -1.306 0.636 138 1HB GLU 16 1HB GLU 16 -8.686 -3.938 -0.251 139 2HB GLU 16 2HB GLU 16 -10.430 -3.740 -0.324 140 1HG GLU 16 1HG GLU 16 -9.815 -1.516 -1.579 141 2HG GLU 16 2HG GLU 16 -8.285 -2.341 -1.865 142 H VAL 17 H VAL 17 -11.860 -1.599 1.337 143 HA VAL 17 HA VAL 17 -12.345 -3.345 3.658 144 HB VAL 17 HB VAL 17 -12.158 -0.887 4.210 145 1HG1 VAL 17 1HG1 VAL 17 -13.286 0.208 2.349 146 2HG1 VAL 17 2HG1 VAL 17 -14.835 -0.442 2.893 147 3HG1 VAL 17 3HG1 VAL 17 -13.957 0.709 3.901 148 1HG2 VAL 17 1HG2 VAL 17 -13.258 -2.409 5.753 149 2HG2 VAL 17 2HG2 VAL 17 -13.949 -0.789 5.836 150 3HG2 VAL 17 3HG2 VAL 17 -14.812 -2.075 4.990 No H/Q in entry = 150
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