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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 | bmrb_id | cing | stage | position | program | type |
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12610 |
1t55 ![]() ![]() |
6217 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 1 HT1 ILE 1 11.766 5.500 1.530 2 2H ILE 1 HT2 ILE 1 12.045 4.357 0.304 3 3H ILE 1 HT3 ILE 1 11.553 3.847 1.848 4 HA ILE 1 HA ILE 1 9.380 4.681 1.570 5 HB ILE 1 HB ILE 1 8.947 6.131 -0.461 6 1HG1 ILE 1 HG12 ILE 1 11.794 6.789 -0.744 7 2HG1 ILE 1 HG11 ILE 1 11.406 5.152 -1.275 8 1HG2 ILE 1 HG21 ILE 1 9.376 7.941 0.835 9 2HG2 ILE 1 HG22 ILE 1 11.104 7.593 0.893 10 3HG2 ILE 1 HG23 ILE 1 10.003 6.783 2.009 11 1HD1 ILE 1 HD11 ILE 1 9.394 7.047 -2.171 12 2HD1 ILE 1 HD12 ILE 1 10.360 5.916 -3.119 13 3HD1 ILE 1 HD13 ILE 1 11.000 7.512 -2.730 14 H LEU 2 HN LEU 2 8.740 2.542 1.184 15 HA LEU 2 HA LEU 2 9.126 1.482 -1.595 16 1HB LEU 2 HB2 LEU 2 8.863 0.245 1.148 17 2HB LEU 2 HB1 LEU 2 8.621 -0.716 -0.311 18 HG LEU 2 HG LEU 2 11.102 0.934 0.244 19 1HD1 LEU 2 HD11 LEU 2 10.364 -1.902 0.864 20 2HD1 LEU 2 HD12 LEU 2 11.347 -0.772 1.796 21 3HD1 LEU 2 HD13 LEU 2 12.020 -1.554 0.366 22 1HD2 LEU 2 HD21 LEU 2 11.681 0.447 -1.881 23 2HD2 LEU 2 HD22 LEU 2 10.053 -0.186 -2.124 24 3HD2 LEU 2 HD23 LEU 2 11.353 -1.266 -1.622 25 H GLY 3 HN GLY 3 6.860 0.201 0.755 26 1HA GLY 3 HA2 GLY 3 4.500 0.238 0.814 27 2HA GLY 3 HA1 GLY 3 4.534 1.569 -0.343 28 H LYS 4 HN LYS 4 6.245 -1.409 -0.997 29 HA LYS 4 HA LYS 4 5.175 -1.822 -3.565 30 1HB LYS 4 HB2 LYS 4 6.165 -4.028 -3.339 31 2HB LYS 4 HB1 LYS 4 7.182 -2.884 -2.464 32 1HG LYS 4 HG2 LYS 4 5.437 -3.585 -0.500 33 2HG LYS 4 HG1 LYS 4 5.495 -5.085 -1.426 34 1HD LYS 4 HD2 LYS 4 8.046 -3.657 -0.719 35 2HD LYS 4 HD1 LYS 4 7.261 -4.703 0.465 36 1HE LYS 4 HE2 LYS 4 7.756 -5.697 -2.343 37 2HE LYS 4 HE1 LYS 4 9.031 -5.785 -1.112 38 1HZ LYS 4 HZ1 LYS 4 7.158 -6.705 0.368 39 2HZ LYS 4 HZ2 LYS 4 7.867 -7.744 -0.775 40 3HZ LYS 4 HZ3 LYS 4 6.357 -7.033 -1.091 41 H ILE 5 HN ILE 5 3.773 -2.536 -0.447 42 HA ILE 5 HA ILE 5 1.408 -3.745 -1.838 43 HB ILE 5 HB ILE 5 2.875 -5.438 -0.739 44 1HG1 ILE 5 HG12 ILE 5 0.315 -5.061 0.835 45 2HG1 ILE 5 HG11 ILE 5 0.331 -5.618 -0.839 46 1HG2 ILE 5 HG21 ILE 5 2.111 -4.552 1.972 47 2HG2 ILE 5 HG22 ILE 5 3.267 -3.498 1.157 48 3HG2 ILE 5 HG23 ILE 5 3.643 -5.205 1.391 49 1HD1 ILE 5 HD11 ILE 5 0.749 -7.708 -0.124 50 2HD1 ILE 5 HD12 ILE 5 0.797 -7.142 1.546 51 3HD1 ILE 5 HD13 ILE 5 2.269 -7.149 0.575 52 H TRP 6 HN TRP 6 2.355 -1.082 -0.321 53 HA TRP 6 HA TRP 6 -0.022 -0.898 1.495 54 1HB TRP 6 HB2 TRP 6 2.659 -0.398 1.907 55 2HB TRP 6 HB1 TRP 6 2.032 1.213 1.554 56 HD1 TRP 6 HD1 TRP 6 1.347 2.418 3.670 57 HE1 TRP 6 HE1 TRP 6 0.275 1.756 5.919 58 HE3 TRP 6 HE3 TRP 6 0.867 -2.618 2.972 59 HZ2 TRP 6 HZ2 TRP 6 -0.662 -0.597 7.247 60 HZ3 TRP 6 HZ3 TRP 6 -0.118 -4.045 4.743 61 HH2 TRP 6 HH2 TRP 6 -0.882 -3.042 6.878 62 H LYS 7 HN LYS 7 1.491 0.407 -1.373 63 HA LYS 7 HA LYS 7 0.204 2.938 -1.556 64 1HB LYS 7 HB2 LYS 7 1.535 0.962 -3.314 65 2HB LYS 7 HB1 LYS 7 0.447 2.079 -4.141 66 1HG LYS 7 HG2 LYS 7 1.686 3.956 -3.527 67 2HG LYS 7 HG1 LYS 7 2.400 3.151 -2.129 68 1HD LYS 7 HD2 LYS 7 4.078 2.216 -3.359 69 2HD LYS 7 HD1 LYS 7 3.030 1.924 -4.748 70 1HE LYS 7 HE2 LYS 7 3.496 4.786 -4.213 71 2HE LYS 7 HE1 LYS 7 4.958 3.885 -4.663 72 1HZ LYS 7 HZ1 LYS 7 2.531 3.233 -6.129 73 2HZ LYS 7 HZ2 LYS 7 4.133 3.354 -6.682 74 3HZ LYS 7 HZ3 LYS 7 3.201 4.756 -6.455 75 HA PRO 8 HA PRO 8 -3.457 0.750 -3.410 76 1HB PRO 8 HB2 PRO 8 -3.465 -1.957 -3.806 77 2HB PRO 8 HB1 PRO 8 -2.725 -0.817 -4.948 78 1HG PRO 8 HG2 PRO 8 -1.442 -2.521 -2.876 79 2HG PRO 8 HG1 PRO 8 -0.890 -2.120 -4.510 80 1HD PRO 8 HD2 PRO 8 0.089 -0.935 -2.262 81 2HD PRO 8 HD1 PRO 8 0.046 -0.142 -3.851 82 H ILE 9 HN ILE 9 -2.109 -1.612 -1.083 83 HA ILE 9 HA ILE 9 -4.504 -2.557 0.063 84 HB ILE 9 HB ILE 9 -1.725 -2.016 1.124 85 1HG1 ILE 9 HG12 ILE 9 -2.045 -3.778 -0.604 86 2HG1 ILE 9 HG11 ILE 9 -1.534 -4.458 0.942 87 1HG2 ILE 9 HG21 ILE 9 -3.930 -3.555 2.527 88 2HG2 ILE 9 HG22 ILE 9 -3.408 -1.934 2.985 89 3HG2 ILE 9 HG23 ILE 9 -2.289 -3.291 3.116 90 1HD1 ILE 9 HD11 ILE 9 -4.238 -4.559 -0.365 91 2HD1 ILE 9 HD12 ILE 9 -4.112 -4.671 1.390 92 3HD1 ILE 9 HD13 ILE 9 -3.310 -5.866 0.370 93 H LYS 10 HN LYS 10 -2.627 0.370 0.883 94 HA LYS 10 HA LYS 10 -4.166 1.216 3.124 95 1HB LYS 10 HB2 LYS 10 -2.062 2.230 2.670 96 2HB LYS 10 HB1 LYS 10 -2.514 2.604 1.006 97 1HG LYS 10 HG2 LYS 10 -4.204 3.764 3.172 98 2HG LYS 10 HG1 LYS 10 -2.599 4.457 2.939 99 1HD LYS 10 HD2 LYS 10 -3.716 4.101 0.355 100 2HD LYS 10 HD1 LYS 10 -4.964 4.851 1.352 101 1HE LYS 10 HE2 LYS 10 -2.108 5.875 1.273 102 2HE LYS 10 HE1 LYS 10 -3.391 6.501 0.218 103 1HZ LYS 10 HZ1 LYS 10 -3.306 7.783 2.254 104 2HZ LYS 10 HZ2 LYS 10 -3.470 6.373 3.188 105 3HZ LYS 10 HZ3 LYS 10 -4.750 6.894 2.200 106 H LYS 11 HN LYS 11 -4.843 1.320 -0.304 107 HA LYS 11 HA LYS 11 -6.939 3.359 -0.109 108 1HB LYS 11 HB2 LYS 11 -5.431 1.932 -2.096 109 2HB LYS 11 HB1 LYS 11 -7.149 1.763 -2.460 110 1HG LYS 11 HG2 LYS 11 -6.614 4.471 -1.646 111 2HG LYS 11 HG1 LYS 11 -5.502 4.019 -2.939 112 1HD LYS 11 HD2 LYS 11 -7.937 2.950 -3.763 113 2HD LYS 11 HD1 LYS 11 -8.378 4.508 -3.062 114 1HE LYS 11 HE2 LYS 11 -6.900 5.697 -4.533 115 2HE LYS 11 HE1 LYS 11 -6.122 4.193 -5.067 116 1HZ LYS 11 HZ1 LYS 11 -9.024 4.329 -5.299 117 2HZ LYS 11 HZ2 LYS 11 -7.885 3.609 -6.334 118 3HZ LYS 11 HZ3 LYS 11 -8.142 5.288 -6.385 119 H LEU 12 HN LEU 12 -6.813 -0.196 -0.424 120 HA LEU 12 HA LEU 12 -9.686 -0.553 -0.501 121 1HB LEU 12 HB2 LEU 12 -7.218 -2.110 -0.503 122 2HB LEU 12 HB1 LEU 12 -8.477 -2.892 0.453 123 HG LEU 12 HG LEU 12 -9.455 -1.778 -2.084 124 1HD1 LEU 12 HD11 LEU 12 -7.082 -2.589 -2.615 125 2HD1 LEU 12 HD12 LEU 12 -8.383 -3.318 -3.558 126 3HD1 LEU 12 HD13 LEU 12 -7.659 -4.207 -2.218 127 1HD2 LEU 12 HD21 LEU 12 -10.284 -4.243 -2.164 128 2HD2 LEU 12 HD22 LEU 12 -10.923 -3.196 -0.897 129 3HD2 LEU 12 HD23 LEU 12 -9.646 -4.353 -0.523 130 H PHE 13 HN PHE 13 -7.416 0.049 2.041 131 HA PHE 13 HA PHE 13 -9.403 -0.844 4.100 132 1HB PHE 13 HB2 PHE 13 -6.445 -0.751 3.845 133 2HB PHE 13 HB1 PHE 13 -7.087 -0.360 5.441 134 HD1 PHE 13 HD1 PHE 13 -6.310 -2.376 6.546 135 HD2 PHE 13 HD2 PHE 13 -8.800 -2.598 3.054 136 HE1 PHE 13 HE1 PHE 13 -6.703 -4.786 6.980 137 HE2 PHE 13 HE2 PHE 13 -9.193 -5.008 3.487 138 HZ PHE 13 HZ PHE 13 -8.144 -6.102 5.451 139 1HN NH2 14 HN1 NH2 14 -9.251 0.682 6.165 140 2HN NH2 14 HN2 NH2 14 -9.221 2.350 5.855 Start of MODEL 2 1 1H ILE 1 HT1 ILE 1 -12.645 2.290 -4.003 2 2H ILE 1 HT2 ILE 1 -11.244 3.241 -3.867 3 3H ILE 1 HT3 ILE 1 -12.519 3.438 -2.761 4 HA ILE 1 HA ILE 1 -11.952 1.619 -1.540 5 HB ILE 1 HB ILE 1 -12.452 0.240 -3.571 6 1HG1 ILE 1 HG12 ILE 1 -9.898 -0.639 -2.194 7 2HG1 ILE 1 HG11 ILE 1 -11.487 -0.720 -1.434 8 1HG2 ILE 1 HG21 ILE 1 -10.859 -0.155 -5.236 9 2HG2 ILE 1 HG22 ILE 1 -9.513 0.311 -4.197 10 3HG2 ILE 1 HG23 ILE 1 -10.579 1.546 -4.866 11 1HD1 ILE 1 HD11 ILE 1 -10.818 -2.031 -4.083 12 2HD1 ILE 1 HD12 ILE 1 -12.301 -2.225 -3.147 13 3HD1 ILE 1 HD13 ILE 1 -10.779 -2.871 -2.533 14 H LEU 2 HN LEU 2 -10.230 1.914 -0.176 15 HA LEU 2 HA LEU 2 -7.915 3.448 -0.901 16 1HB LEU 2 HB2 LEU 2 -8.881 1.806 1.410 17 2HB LEU 2 HB1 LEU 2 -7.185 2.293 1.392 18 HG LEU 2 HG LEU 2 -8.385 4.638 0.699 19 1HD1 LEU 2 HD11 LEU 2 -10.594 3.282 1.203 20 2HD1 LEU 2 HD12 LEU 2 -10.438 4.950 1.752 21 3HD1 LEU 2 HD13 LEU 2 -10.176 3.622 2.882 22 1HD2 LEU 2 HD21 LEU 2 -8.080 5.257 3.109 23 2HD2 LEU 2 HD22 LEU 2 -6.697 4.390 2.442 24 3HD2 LEU 2 HD23 LEU 2 -7.847 3.548 3.481 25 H GLY 3 HN GLY 3 -5.673 2.238 -0.056 26 1HA GLY 3 HA2 GLY 3 -5.475 -0.286 -1.652 27 2HA GLY 3 HA1 GLY 3 -4.240 0.968 -1.741 28 H LYS 4 HN LYS 4 -5.960 -0.350 1.079 29 HA LYS 4 HA LYS 4 -3.842 -0.321 2.896 30 1HB LYS 4 HB2 LYS 4 -6.186 -0.836 3.424 31 2HB LYS 4 HB1 LYS 4 -6.063 -2.361 2.545 32 1HG LYS 4 HG2 LYS 4 -5.729 -3.003 4.787 33 2HG LYS 4 HG1 LYS 4 -4.088 -2.877 4.152 34 1HD LYS 4 HD2 LYS 4 -3.839 -0.650 5.102 35 2HD LYS 4 HD1 LYS 4 -5.522 -0.653 5.631 36 1HE LYS 4 HE2 LYS 4 -3.485 -2.703 6.566 37 2HE LYS 4 HE1 LYS 4 -3.890 -1.232 7.473 38 1HZ LYS 4 HZ1 LYS 4 -5.660 -3.484 6.738 39 2HZ LYS 4 HZ2 LYS 4 -6.295 -1.955 7.117 40 3HZ LYS 4 HZ3 LYS 4 -5.390 -2.813 8.271 41 H ILE 5 HN ILE 5 -4.302 -2.455 0.176 42 HA ILE 5 HA ILE 5 -2.146 -4.277 1.152 43 HB ILE 5 HB ILE 5 -4.301 -5.234 0.415 44 1HG1 ILE 5 HG12 ILE 5 -2.190 -5.791 -1.685 45 2HG1 ILE 5 HG11 ILE 5 -2.067 -6.385 -0.029 46 1HG2 ILE 5 HG21 ILE 5 -3.843 -3.356 -1.795 47 2HG2 ILE 5 HG22 ILE 5 -5.350 -4.070 -1.223 48 3HG2 ILE 5 HG23 ILE 5 -4.318 -4.965 -2.338 49 1HD1 ILE 5 HD11 ILE 5 -3.971 -7.180 -2.191 50 2HD1 ILE 5 HD12 ILE 5 -4.552 -7.214 -0.526 51 3HD1 ILE 5 HD13 ILE 5 -3.153 -8.182 -0.992 52 H TRP 6 HN TRP 6 -2.164 -1.434 -0.348 53 HA TRP 6 HA TRP 6 0.142 -2.154 -2.094 54 1HB TRP 6 HB2 TRP 6 -2.286 -1.897 -3.171 55 2HB TRP 6 HB1 TRP 6 -1.881 -0.182 -3.077 56 HD1 TRP 6 HD1 TRP 6 -1.049 0.541 -5.364 57 HE1 TRP 6 HE1 TRP 6 0.614 -0.389 -7.101 58 HE3 TRP 6 HE3 TRP 6 0.145 -3.904 -3.151 59 HZ2 TRP 6 HZ2 TRP 6 2.236 -2.712 -7.499 60 HZ3 TRP 6 HZ3 TRP 6 1.750 -5.455 -4.229 61 HH2 TRP 6 HH2 TRP 6 2.796 -4.865 -6.398 62 H LYS 7 HN LYS 7 -1.821 0.500 -0.750 63 HA LYS 7 HA LYS 7 -0.011 2.635 -1.054 64 1HB LYS 7 HB2 LYS 7 -2.395 1.963 0.405 65 2HB LYS 7 HB1 LYS 7 -1.300 2.835 1.480 66 1HG LYS 7 HG2 LYS 7 -1.954 3.792 -1.315 67 2HG LYS 7 HG1 LYS 7 -2.871 4.294 0.106 68 1HD LYS 7 HD2 LYS 7 -0.157 4.610 0.802 69 2HD LYS 7 HD1 LYS 7 -0.310 5.257 -0.832 70 1HE LYS 7 HE2 LYS 7 -2.184 5.999 1.442 71 2HE LYS 7 HE1 LYS 7 -0.781 6.971 0.956 72 1HZ LYS 7 HZ1 LYS 7 -1.645 7.062 -1.289 73 2HZ LYS 7 HZ2 LYS 7 -2.802 7.674 -0.205 74 3HZ LYS 7 HZ3 LYS 7 -2.980 6.113 -0.851 75 HA PRO 8 HA PRO 8 1.938 1.513 3.147 76 1HB PRO 8 HB2 PRO 8 1.356 -0.921 4.251 77 2HB PRO 8 HB1 PRO 8 0.416 0.545 4.596 78 1HG PRO 8 HG2 PRO 8 -0.195 -1.703 2.748 79 2HG PRO 8 HG1 PRO 8 -1.277 -0.783 3.804 80 1HD PRO 8 HD2 PRO 8 -1.081 -0.361 1.120 81 2HD PRO 8 HD1 PRO 8 -1.547 0.900 2.281 82 H ILE 9 HN ILE 9 1.267 -1.355 1.129 83 HA ILE 9 HA ILE 9 3.761 -2.686 1.468 84 HB ILE 9 HB ILE 9 1.650 -2.542 -0.687 85 1HG1 ILE 9 HG12 ILE 9 1.597 -5.053 0.121 86 2HG1 ILE 9 HG11 ILE 9 2.449 -4.410 1.525 87 1HG2 ILE 9 HG21 ILE 9 4.314 -3.931 -0.746 88 2HG2 ILE 9 HG22 ILE 9 3.454 -3.116 -2.053 89 3HG2 ILE 9 HG23 ILE 9 2.919 -4.703 -1.500 90 1HD1 ILE 9 HD11 ILE 9 -0.282 -4.427 1.237 91 2HD1 ILE 9 HD12 ILE 9 0.128 -2.800 0.693 92 3HD1 ILE 9 HD13 ILE 9 0.605 -3.338 2.303 93 H LYS 10 HN LYS 10 2.758 -0.159 -0.842 94 HA LYS 10 HA LYS 10 5.157 -0.133 -2.406 95 1HB LYS 10 HB2 LYS 10 2.820 0.911 -2.787 96 2HB LYS 10 HB1 LYS 10 3.403 2.249 -1.797 97 1HG LYS 10 HG2 LYS 10 4.728 1.221 -4.325 98 2HG LYS 10 HG1 LYS 10 3.780 2.703 -4.193 99 1HD LYS 10 HD2 LYS 10 5.479 3.238 -2.235 100 2HD LYS 10 HD1 LYS 10 6.504 2.095 -3.104 101 1HE LYS 10 HE2 LYS 10 5.154 4.456 -4.454 102 2HE LYS 10 HE1 LYS 10 6.817 4.500 -3.833 103 1HZ LYS 10 HZ1 LYS 10 7.536 2.989 -5.351 104 2HZ LYS 10 HZ2 LYS 10 6.281 3.673 -6.271 105 3HZ LYS 10 HZ3 LYS 10 6.038 2.200 -5.459 106 H LYS 11 HN LYS 11 4.195 1.672 0.502 107 HA LYS 11 HA LYS 11 6.460 3.406 0.656 108 1HB LYS 11 HB2 LYS 11 4.576 2.200 2.700 109 2HB LYS 11 HB1 LYS 11 5.756 3.447 3.106 110 1HG LYS 11 HG2 LYS 11 3.556 3.692 1.031 111 2HG LYS 11 HG1 LYS 11 3.575 4.469 2.615 112 1HD LYS 11 HD2 LYS 11 5.838 5.484 1.865 113 2HD LYS 11 HD1 LYS 11 5.346 5.016 0.236 114 1HE LYS 11 HE2 LYS 11 3.425 6.555 1.974 115 2HE LYS 11 HE1 LYS 11 4.706 7.412 1.094 116 1HZ LYS 11 HZ1 LYS 11 2.848 7.241 -0.362 117 2HZ LYS 11 HZ2 LYS 11 2.658 5.584 -0.038 118 3HZ LYS 11 HZ3 LYS 11 4.008 6.133 -0.911 119 H LEU 12 HN LEU 12 5.847 0.377 2.483 120 HA LEU 12 HA LEU 12 8.819 0.075 2.767 121 1HB LEU 12 HB2 LEU 12 6.449 -0.348 4.533 122 2HB LEU 12 HB1 LEU 12 7.810 -1.452 4.733 123 HG LEU 12 HG LEU 12 8.338 1.496 4.571 124 1HD1 LEU 12 HD11 LEU 12 6.758 1.638 6.278 125 2HD1 LEU 12 HD12 LEU 12 8.222 1.290 7.197 126 3HD1 LEU 12 HD13 LEU 12 7.074 -0.002 6.845 127 1HD2 LEU 12 HD21 LEU 12 9.877 0.233 6.543 128 2HD2 LEU 12 HD22 LEU 12 10.401 0.639 4.909 129 3HD2 LEU 12 HD23 LEU 12 9.745 -0.962 5.252 130 H PHE 13 HN PHE 13 9.268 -1.291 1.009 131 HA PHE 13 HA PHE 13 7.604 -3.399 0.046 132 1HB PHE 13 HB2 PHE 13 10.512 -2.650 -0.078 133 2HB PHE 13 HB1 PHE 13 9.990 -4.191 -0.760 134 HD1 PHE 13 HD1 PHE 13 10.434 -3.594 -3.075 135 HD2 PHE 13 HD2 PHE 13 7.813 -1.210 -0.646 136 HE1 PHE 13 HE1 PHE 13 9.618 -2.424 -5.103 137 HE2 PHE 13 HE2 PHE 13 7.000 -0.039 -2.674 138 HZ PHE 13 HZ PHE 13 7.901 -0.646 -4.902 139 1HN NH2 14 HN1 NH2 14 7.212 -5.448 0.943 140 2HN NH2 14 HN2 NH2 14 8.134 -6.169 2.171 Start of MODEL 3 1 1H ILE 1 HT1 ILE 1 10.085 -1.039 -3.061 2 2H ILE 1 HT2 ILE 1 8.898 -1.506 -1.939 3 3H ILE 1 HT3 ILE 1 10.438 -1.029 -1.402 4 HA ILE 1 HA ILE 1 10.058 1.230 -2.110 5 HB ILE 1 HB ILE 1 8.739 0.335 -4.100 6 1HG1 ILE 1 HG12 ILE 1 7.018 2.447 -2.943 7 2HG1 ILE 1 HG11 ILE 1 8.745 2.803 -2.924 8 1HG2 ILE 1 HG21 ILE 1 6.479 0.405 -2.077 9 2HG2 ILE 1 HG22 ILE 1 7.195 -1.066 -2.734 10 3HG2 ILE 1 HG23 ILE 1 6.329 0.044 -3.796 11 1HD1 ILE 1 HD11 ILE 1 7.684 3.586 -5.021 12 2HD1 ILE 1 HD12 ILE 1 7.167 1.935 -5.365 13 3HD1 ILE 1 HD13 ILE 1 8.885 2.332 -5.333 14 H LEU 2 HN LEU 2 9.515 -0.658 0.207 15 HA LEU 2 HA LEU 2 8.539 -0.502 2.351 16 1HB LEU 2 HB2 LEU 2 8.013 2.311 1.338 17 2HB LEU 2 HB1 LEU 2 8.016 1.810 3.028 18 HG LEU 2 HG LEU 2 10.372 1.720 1.122 19 1HD1 LEU 2 HD11 LEU 2 9.609 3.450 3.475 20 2HD1 LEU 2 HD12 LEU 2 10.106 3.954 1.860 21 3HD1 LEU 2 HD13 LEU 2 11.290 3.272 2.974 22 1HD2 LEU 2 HD21 LEU 2 9.932 0.646 3.906 23 2HD2 LEU 2 HD22 LEU 2 11.545 1.119 3.371 24 3HD2 LEU 2 HD23 LEU 2 10.672 -0.155 2.519 25 H GLY 3 HN GLY 3 6.467 -0.754 3.315 26 1HA GLY 3 HA2 GLY 3 4.205 -1.420 3.202 27 2HA GLY 3 HA1 GLY 3 3.995 0.190 2.512 28 H LYS 4 HN LYS 4 5.928 -2.281 0.942 29 HA LYS 4 HA LYS 4 4.736 -2.012 -1.600 30 1HB LYS 4 HB2 LYS 4 6.890 -3.083 -1.169 31 2HB LYS 4 HB1 LYS 4 6.098 -4.371 -0.261 32 1HG LYS 4 HG2 LYS 4 6.683 -4.972 -2.651 33 2HG LYS 4 HG1 LYS 4 4.982 -5.182 -2.234 34 1HD LYS 4 HD2 LYS 4 4.298 -3.416 -3.541 35 2HD LYS 4 HD1 LYS 4 5.799 -2.520 -3.298 36 1HE LYS 4 HE2 LYS 4 6.114 -3.188 -5.502 37 2HE LYS 4 HE1 LYS 4 6.792 -4.610 -4.683 38 1HZ LYS 4 HZ1 LYS 4 4.073 -4.252 -5.793 39 2HZ LYS 4 HZ2 LYS 4 4.396 -5.430 -4.612 40 3HZ LYS 4 HZ3 LYS 4 5.187 -5.490 -6.114 41 H ILE 5 HN ILE 5 3.525 -3.617 1.216 42 HA ILE 5 HA ILE 5 1.339 -4.839 -0.439 43 HB ILE 5 HB ILE 5 1.369 -6.699 1.148 44 1HG1 ILE 5 HG12 ILE 5 3.720 -5.363 2.504 45 2HG1 ILE 5 HG11 ILE 5 2.066 -5.157 3.082 46 1HG2 ILE 5 HG21 ILE 5 4.102 -7.026 0.899 47 2HG2 ILE 5 HG22 ILE 5 3.734 -5.874 -0.385 48 3HG2 ILE 5 HG23 ILE 5 2.914 -7.435 -0.338 49 1HD1 ILE 5 HD11 ILE 5 2.426 -7.933 2.633 50 2HD1 ILE 5 HD12 ILE 5 2.242 -7.110 4.182 51 3HD1 ILE 5 HD13 ILE 5 3.851 -7.374 3.509 52 H TRP 6 HN TRP 6 1.833 -2.282 1.387 53 HA TRP 6 HA TRP 6 -0.841 -2.458 2.693 54 1HB TRP 6 HB2 TRP 6 0.713 -3.060 4.427 55 2HB TRP 6 HB1 TRP 6 1.816 -1.762 3.967 56 HD1 TRP 6 HD1 TRP 6 1.697 0.176 5.588 57 HE1 TRP 6 HE1 TRP 6 -0.145 1.319 6.983 58 HE3 TRP 6 HE3 TRP 6 -2.304 -2.729 4.313 59 HZ2 TRP 6 HZ2 TRP 6 -2.946 1.038 7.491 60 HZ3 TRP 6 HZ3 TRP 6 -4.545 -2.271 5.266 61 HH2 TRP 6 HH2 TRP 6 -4.871 -0.393 6.852 62 H LYS 7 HN LYS 7 1.906 -0.441 1.705 63 HA LYS 7 HA LYS 7 0.748 2.120 2.100 64 1HB LYS 7 HB2 LYS 7 3.052 1.992 1.616 65 2HB LYS 7 HB1 LYS 7 2.796 0.931 0.233 66 1HG LYS 7 HG2 LYS 7 2.125 2.678 -1.157 67 2HG LYS 7 HG1 LYS 7 1.619 3.692 0.195 68 1HD LYS 7 HD2 LYS 7 4.297 3.367 0.713 69 2HD LYS 7 HD1 LYS 7 4.274 3.416 -1.050 70 1HE LYS 7 HE2 LYS 7 3.315 5.578 -1.099 71 2HE LYS 7 HE1 LYS 7 2.765 5.465 0.585 72 1HZ LYS 7 HZ1 LYS 7 4.866 5.756 1.400 73 2HZ LYS 7 HZ2 LYS 7 4.981 6.706 -0.005 74 3HZ LYS 7 HZ3 LYS 7 5.622 5.132 0.016 75 HA PRO 8 HA PRO 8 -1.161 1.695 -2.176 76 1HB PRO 8 HB2 PRO 8 -1.176 -0.722 -3.456 77 2HB PRO 8 HB1 PRO 8 0.163 0.436 -3.598 78 1HG PRO 8 HG2 PRO 8 -0.056 -2.004 -1.909 79 2HG PRO 8 HG1 PRO 8 1.331 -1.379 -2.816 80 1HD PRO 8 HD2 PRO 8 1.056 -1.074 -0.134 81 2HD PRO 8 HD1 PRO 8 1.922 0.087 -1.162 82 H ILE 9 HN ILE 9 -1.510 -1.510 -0.611 83 HA ILE 9 HA ILE 9 -4.208 -2.034 -1.157 84 HB ILE 9 HB ILE 9 -2.389 -2.556 1.197 85 1HG1 ILE 9 HG12 ILE 9 -2.938 -4.954 0.170 86 2HG1 ILE 9 HG11 ILE 9 -3.314 -3.993 -1.261 87 1HG2 ILE 9 HG21 ILE 9 -4.223 -4.336 1.744 88 2HG2 ILE 9 HG22 ILE 9 -5.297 -3.260 0.849 89 3HG2 ILE 9 HG23 ILE 9 -4.465 -2.676 2.291 90 1HD1 ILE 9 HD11 ILE 9 -0.832 -3.137 0.017 91 2HD1 ILE 9 HD12 ILE 9 -1.133 -3.569 -1.666 92 3HD1 ILE 9 HD13 ILE 9 -0.776 -4.827 -0.482 93 H LYS 10 HN LYS 10 -2.834 0.365 0.991 94 HA LYS 10 HA LYS 10 -5.294 0.833 2.503 95 1HB LYS 10 HB2 LYS 10 -3.042 1.230 3.413 96 2HB LYS 10 HB1 LYS 10 -2.729 2.417 2.146 97 1HG LYS 10 HG2 LYS 10 -5.209 2.889 3.673 98 2HG LYS 10 HG1 LYS 10 -3.728 3.035 4.620 99 1HD LYS 10 HD2 LYS 10 -3.122 4.335 2.230 100 2HD LYS 10 HD1 LYS 10 -4.787 4.814 2.565 101 1HE LYS 10 HE2 LYS 10 -4.200 6.013 4.432 102 2HE LYS 10 HE1 LYS 10 -2.938 4.854 4.897 103 1HZ LYS 10 HZ1 LYS 10 -1.443 5.736 3.405 104 2HZ LYS 10 HZ2 LYS 10 -2.255 7.140 3.912 105 3HZ LYS 10 HZ3 LYS 10 -2.644 6.421 2.422 106 H LYS 11 HN LYS 11 -3.782 2.119 -0.403 107 HA LYS 11 HA LYS 11 -5.629 4.408 -0.578 108 1HB LYS 11 HB2 LYS 11 -3.093 3.922 -1.402 109 2HB LYS 11 HB1 LYS 11 -3.969 3.520 -2.879 110 1HG LYS 11 HG2 LYS 11 -5.233 5.806 -2.285 111 2HG LYS 11 HG1 LYS 11 -3.693 6.147 -1.495 112 1HD LYS 11 HD2 LYS 11 -3.281 6.925 -3.654 113 2HD LYS 11 HD1 LYS 11 -2.668 5.275 -3.756 114 1HE LYS 11 HE2 LYS 11 -4.040 5.442 -5.674 115 2HE LYS 11 HE1 LYS 11 -5.128 4.691 -4.490 116 1HZ LYS 11 HZ1 LYS 11 -5.864 6.926 -3.846 117 2HZ LYS 11 HZ2 LYS 11 -6.206 6.597 -5.477 118 3HZ LYS 11 HZ3 LYS 11 -4.896 7.598 -5.065 119 H LEU 12 HN LEU 12 -5.184 1.234 -2.119 120 HA LEU 12 HA LEU 12 -7.207 1.569 -4.146 121 1HB LEU 12 HB2 LEU 12 -6.159 -0.943 -2.802 122 2HB LEU 12 HB1 LEU 12 -6.887 -0.837 -4.404 123 HG LEU 12 HG LEU 12 -4.259 0.361 -3.500 124 1HD1 LEU 12 HD11 LEU 12 -3.591 -0.977 -5.647 125 2HD1 LEU 12 HD12 LEU 12 -5.117 -1.822 -5.387 126 3HD1 LEU 12 HD13 LEU 12 -3.866 -1.860 -4.144 127 1HD2 LEU 12 HD21 LEU 12 -5.483 1.981 -4.900 128 2HD2 LEU 12 HD22 LEU 12 -5.753 0.734 -6.117 129 3HD2 LEU 12 HD23 LEU 12 -4.117 1.304 -5.787 130 H PHE 13 HN PHE 13 -7.323 0.808 -0.745 131 HA PHE 13 HA PHE 13 -10.059 -0.310 -0.896 132 1HB PHE 13 HB2 PHE 13 -7.813 -0.522 0.783 133 2HB PHE 13 HB1 PHE 13 -9.023 0.327 1.746 134 HD1 PHE 13 HD1 PHE 13 -11.547 -0.690 1.201 135 HD2 PHE 13 HD2 PHE 13 -7.823 -2.826 1.077 136 HE1 PHE 13 HE1 PHE 13 -12.759 -2.824 1.562 137 HE2 PHE 13 HE2 PHE 13 -9.034 -4.960 1.438 138 HZ PHE 13 HZ PHE 13 -11.502 -4.959 1.681 139 1HN NH2 14 HN1 NH2 14 -10.776 0.986 1.733 140 2HN NH2 14 HN2 NH2 14 -11.225 2.579 1.355 Start of MODEL 4 1 1H ILE 1 HT1 ILE 1 7.193 5.207 -1.141 2 2H ILE 1 HT2 ILE 1 7.279 4.333 0.314 3 3H ILE 1 HT3 ILE 1 6.653 3.600 -1.086 4 HA ILE 1 HA ILE 1 8.952 4.047 -2.110 5 HB ILE 1 HB ILE 1 9.292 4.488 0.866 6 1HG1 ILE 1 HG12 ILE 1 10.783 6.338 -0.555 7 2HG1 ILE 1 HG11 ILE 1 9.360 6.122 -1.574 8 1HG2 ILE 1 HG21 ILE 1 11.369 3.828 -1.239 9 2HG2 ILE 1 HG22 ILE 1 11.037 2.943 0.250 10 3HG2 ILE 1 HG23 ILE 1 11.764 4.548 0.321 11 1HD1 ILE 1 HD11 ILE 1 8.336 7.580 -0.178 12 2HD1 ILE 1 HD12 ILE 1 9.594 7.415 1.046 13 3HD1 ILE 1 HD13 ILE 1 8.279 6.243 0.971 14 H LEU 2 HN LEU 2 8.245 2.441 1.024 15 HA LEU 2 HA LEU 2 9.406 -0.085 -0.001 16 1HB LEU 2 HB2 LEU 2 8.480 1.050 2.623 17 2HB LEU 2 HB1 LEU 2 8.668 -0.696 2.461 18 HG LEU 2 HG LEU 2 10.949 0.617 1.296 19 1HD1 LEU 2 HD11 LEU 2 10.970 1.158 4.207 20 2HD1 LEU 2 HD12 LEU 2 9.947 2.228 3.250 21 3HD1 LEU 2 HD13 LEU 2 11.667 2.092 2.884 22 1HD2 LEU 2 HD21 LEU 2 11.088 -1.646 2.044 23 2HD2 LEU 2 HD22 LEU 2 10.448 -1.235 3.636 24 3HD2 LEU 2 HD23 LEU 2 12.072 -0.720 3.178 25 H GLY 3 HN GLY 3 8.143 -1.757 -0.739 26 1HA GLY 3 HA2 GLY 3 6.236 -3.042 -1.208 27 2HA GLY 3 HA1 GLY 3 5.489 -2.311 0.212 28 H LYS 4 HN LYS 4 6.039 -1.912 -3.245 29 HA LYS 4 HA LYS 4 4.341 0.489 -3.399 30 1HB LYS 4 HB2 LYS 4 5.600 -1.320 -5.491 31 2HB LYS 4 HB1 LYS 4 4.861 0.249 -5.817 32 1HG LYS 4 HG2 LYS 4 6.890 1.157 -5.433 33 2HG LYS 4 HG1 LYS 4 6.641 0.762 -3.732 34 1HD LYS 4 HD2 LYS 4 7.450 -1.650 -4.901 35 2HD LYS 4 HD1 LYS 4 8.486 -0.428 -5.639 36 1HE LYS 4 HE2 LYS 4 8.083 -0.153 -2.706 37 2HE LYS 4 HE1 LYS 4 9.046 -1.548 -3.233 38 1HZ LYS 4 HZ1 LYS 4 9.454 1.274 -4.077 39 2HZ LYS 4 HZ2 LYS 4 10.341 -0.058 -4.647 40 3HZ LYS 4 HZ3 LYS 4 10.450 0.404 -3.016 41 H ILE 5 HN ILE 5 3.484 -2.498 -2.670 42 HA ILE 5 HA ILE 5 1.103 -2.525 -4.497 43 HB ILE 5 HB ILE 5 2.915 -4.342 -4.675 44 1HG1 ILE 5 HG12 ILE 5 0.458 -4.482 -5.423 45 2HG1 ILE 5 HG11 ILE 5 1.298 -6.012 -5.178 46 1HG2 ILE 5 HG21 ILE 5 2.823 -6.116 -2.980 47 2HG2 ILE 5 HG22 ILE 5 1.626 -5.197 -2.066 48 3HG2 ILE 5 HG23 ILE 5 3.270 -4.581 -2.235 49 1HD1 ILE 5 HD11 ILE 5 -1.092 -5.118 -3.921 50 2HD1 ILE 5 HD12 ILE 5 0.155 -5.182 -2.677 51 3HD1 ILE 5 HD13 ILE 5 -0.214 -6.618 -3.629 52 H TRP 6 HN TRP 6 2.297 -2.582 -1.225 53 HA TRP 6 HA TRP 6 -0.430 -3.186 -0.163 54 1HB TRP 6 HB2 TRP 6 1.886 -4.277 0.506 55 2HB TRP 6 HB1 TRP 6 2.049 -2.825 1.493 56 HD1 TRP 6 HD1 TRP 6 1.178 -3.148 3.846 57 HE1 TRP 6 HE1 TRP 6 -0.688 -4.534 4.961 58 HE3 TRP 6 HE3 TRP 6 -0.760 -5.485 -0.261 59 HZ2 TRP 6 HZ2 TRP 6 -2.732 -6.389 4.210 60 HZ3 TRP 6 HZ3 TRP 6 -2.664 -7.054 -0.033 61 HH2 TRP 6 HH2 TRP 6 -3.652 -7.510 2.195 62 H LYS 7 HN LYS 7 1.565 -0.557 -0.918 63 HA LYS 7 HA LYS 7 1.009 1.213 1.293 64 1HB LYS 7 HB2 LYS 7 2.092 1.321 -1.476 65 2HB LYS 7 HB1 LYS 7 1.501 2.845 -0.812 66 1HG LYS 7 HG2 LYS 7 3.206 1.183 0.974 67 2HG LYS 7 HG1 LYS 7 4.011 1.966 -0.387 68 1HD LYS 7 HD2 LYS 7 3.777 4.035 0.513 69 2HD LYS 7 HD1 LYS 7 2.125 3.715 1.043 70 1HE LYS 7 HE2 LYS 7 3.709 2.057 2.663 71 2HE LYS 7 HE1 LYS 7 4.583 3.601 2.593 72 1HZ LYS 7 HZ1 LYS 7 2.916 3.733 4.303 73 2HZ LYS 7 HZ2 LYS 7 1.704 3.220 3.228 74 3HZ LYS 7 HZ3 LYS 7 2.449 4.732 3.014 75 HA PRO 8 HA PRO 8 -2.659 2.599 -1.230 76 1HB PRO 8 HB2 PRO 8 -3.190 1.540 -3.696 77 2HB PRO 8 HB1 PRO 8 -2.040 2.869 -3.444 78 1HG PRO 8 HG2 PRO 8 -1.521 -0.033 -3.839 79 2HG PRO 8 HG1 PRO 8 -0.635 1.368 -4.461 80 1HD PRO 8 HD2 PRO 8 0.204 -0.108 -2.335 81 2HD PRO 8 HD1 PRO 8 0.586 1.615 -2.544 82 H ILE 9 HN ILE 9 -2.145 -0.878 -1.747 83 HA ILE 9 HA ILE 9 -4.851 -1.737 -1.841 84 HB ILE 9 HB ILE 9 -2.238 -2.931 -0.907 85 1HG1 ILE 9 HG12 ILE 9 -2.701 -2.482 -3.345 86 2HG1 ILE 9 HG11 ILE 9 -2.412 -4.182 -2.976 87 1HG2 ILE 9 HG21 ILE 9 -3.531 -5.146 -0.995 88 2HG2 ILE 9 HG22 ILE 9 -4.997 -4.170 -0.892 89 3HG2 ILE 9 HG23 ILE 9 -3.816 -4.129 0.417 90 1HD1 ILE 9 HD11 ILE 9 -5.098 -2.842 -3.389 91 2HD1 ILE 9 HD12 ILE 9 -4.903 -4.497 -2.812 92 3HD1 ILE 9 HD13 ILE 9 -4.347 -4.054 -4.426 93 H LYS 10 HN LYS 10 -2.673 -1.378 0.984 94 HA LYS 10 HA LYS 10 -4.660 -2.146 2.932 95 1HB LYS 10 HB2 LYS 10 -2.237 -2.265 3.301 96 2HB LYS 10 HB1 LYS 10 -2.107 -0.515 3.113 97 1HG LYS 10 HG2 LYS 10 -3.997 -1.613 5.165 98 2HG LYS 10 HG1 LYS 10 -2.271 -1.578 5.526 99 1HD LYS 10 HD2 LYS 10 -2.418 0.898 4.669 100 2HD LYS 10 HD1 LYS 10 -4.139 0.718 5.009 101 1HE LYS 10 HE2 LYS 10 -3.764 0.340 7.321 102 2HE LYS 10 HE1 LYS 10 -2.043 -0.012 7.067 103 1HZ LYS 10 HZ1 LYS 10 -3.002 2.551 6.079 104 2HZ LYS 10 HZ2 LYS 10 -1.529 2.160 6.828 105 3HZ LYS 10 HZ3 LYS 10 -2.926 2.394 7.766 106 H LYS 11 HN LYS 11 -3.758 0.911 1.431 107 HA LYS 11 HA LYS 11 -4.975 2.733 3.241 108 1HB LYS 11 HB2 LYS 11 -3.885 2.649 0.562 109 2HB LYS 11 HB1 LYS 11 -5.322 3.672 0.597 110 1HG LYS 11 HG2 LYS 11 -4.014 4.402 2.917 111 2HG LYS 11 HG1 LYS 11 -2.680 4.123 1.796 112 1HD LYS 11 HD2 LYS 11 -3.108 6.234 1.078 113 2HD LYS 11 HD1 LYS 11 -4.460 5.498 0.218 114 1HE LYS 11 HE2 LYS 11 -6.014 6.390 1.645 115 2HE LYS 11 HE1 LYS 11 -4.980 6.155 3.068 116 1HZ LYS 11 HZ1 LYS 11 -3.541 7.946 2.220 117 2HZ LYS 11 HZ2 LYS 11 -5.110 8.493 2.576 118 3HZ LYS 11 HZ3 LYS 11 -4.645 8.227 0.963 119 H LEU 12 HN LEU 12 -6.359 1.107 0.364 120 HA LEU 12 HA LEU 12 -9.013 1.019 1.575 121 1HB LEU 12 HB2 LEU 12 -10.017 2.589 -0.085 122 2HB LEU 12 HB1 LEU 12 -8.846 3.391 0.962 123 HG LEU 12 HG LEU 12 -7.420 2.316 -1.262 124 1HD1 LEU 12 HD11 LEU 12 -8.799 4.108 -2.813 125 2HD1 LEU 12 HD12 LEU 12 -10.107 3.355 -1.899 126 3HD1 LEU 12 HD13 LEU 12 -9.025 2.360 -2.873 127 1HD2 LEU 12 HD21 LEU 12 -8.128 5.221 -0.994 128 2HD2 LEU 12 HD22 LEU 12 -6.571 4.483 -1.370 129 3HD2 LEU 12 HD23 LEU 12 -7.184 4.453 0.283 130 H PHE 13 HN PHE 13 -7.909 -1.187 0.755 131 HA PHE 13 HA PHE 13 -7.767 -1.915 -1.955 132 1HB PHE 13 HB2 PHE 13 -8.517 -4.213 -0.936 133 2HB PHE 13 HB1 PHE 13 -7.005 -3.489 -0.402 134 HD1 PHE 13 HD1 PHE 13 -10.247 -2.049 0.629 135 HD2 PHE 13 HD2 PHE 13 -7.044 -4.695 1.727 136 HE1 PHE 13 HE1 PHE 13 -11.062 -2.065 2.966 137 HE2 PHE 13 HE2 PHE 13 -7.860 -4.705 4.067 138 HZ PHE 13 HZ PHE 13 -9.868 -3.391 4.687 139 1HN NH2 14 HN1 NH2 14 -9.631 -0.673 -2.966 140 2HN NH2 14 HN2 NH2 14 -11.183 -1.362 -2.943 Start of MODEL 5 1 1H ILE 1 HT1 ILE 1 11.552 -2.841 2.654 2 2H ILE 1 HT2 ILE 1 11.198 -2.305 1.081 3 3H ILE 1 HT3 ILE 1 11.689 -3.909 1.344 4 HA ILE 1 HA ILE 1 9.473 -4.323 1.244 5 HB ILE 1 HB ILE 1 8.647 -4.401 3.549 6 1HG1 ILE 1 HG12 ILE 1 10.961 -2.706 4.449 7 2HG1 ILE 1 HG11 ILE 1 9.484 -1.922 3.889 8 1HG2 ILE 1 HG21 ILE 1 11.391 -4.749 4.343 9 2HG2 ILE 1 HG22 ILE 1 11.193 -5.307 2.682 10 3HG2 ILE 1 HG23 ILE 1 10.191 -5.985 3.965 11 1HD1 ILE 1 HD11 ILE 1 9.781 -3.874 6.181 12 2HD1 ILE 1 HD12 ILE 1 8.215 -3.425 5.505 13 3HD1 ILE 1 HD13 ILE 1 9.236 -2.198 6.255 14 H LEU 2 HN LEU 2 9.746 -1.803 0.023 15 HA LEU 2 HA LEU 2 7.913 0.115 1.275 16 1HB LEU 2 HB2 LEU 2 8.445 1.399 -0.761 17 2HB LEU 2 HB1 LEU 2 9.917 0.735 -0.056 18 HG LEU 2 HG LEU 2 8.776 -1.195 -1.859 19 1HD1 LEU 2 HD11 LEU 2 9.577 0.645 -3.789 20 2HD1 LEU 2 HD12 LEU 2 8.570 1.596 -2.698 21 3HD1 LEU 2 HD13 LEU 2 7.917 0.147 -3.462 22 1HD2 LEU 2 HD21 LEU 2 11.200 0.190 -2.732 23 2HD2 LEU 2 HD22 LEU 2 10.984 -1.496 -2.260 24 3HD2 LEU 2 HD23 LEU 2 11.269 -0.265 -1.029 25 H GLY 3 HN GLY 3 6.808 0.814 -1.443 26 1HA GLY 3 HA2 GLY 3 5.379 -0.894 -2.908 27 2HA GLY 3 HA1 GLY 3 4.540 -1.092 -1.369 28 H LYS 4 HN LYS 4 5.211 1.143 -3.992 29 HA LYS 4 HA LYS 4 3.920 3.470 -2.964 30 1HB LYS 4 HB2 LYS 4 5.341 3.453 -4.946 31 2HB LYS 4 HB1 LYS 4 4.231 2.358 -5.771 32 1HG LYS 4 HG2 LYS 4 3.996 4.806 -6.408 33 2HG LYS 4 HG1 LYS 4 2.511 4.030 -5.858 34 1HD LYS 4 HD2 LYS 4 2.909 4.935 -3.577 35 2HD LYS 4 HD1 LYS 4 4.343 5.767 -4.179 36 1HE LYS 4 HE2 LYS 4 1.469 6.231 -5.050 37 2HE LYS 4 HE1 LYS 4 2.539 7.378 -4.218 38 1HZ LYS 4 HZ1 LYS 4 2.833 6.269 -6.952 39 2HZ LYS 4 HZ2 LYS 4 4.114 7.029 -6.135 40 3HZ LYS 4 HZ3 LYS 4 2.701 7.898 -6.499 41 H ILE 5 HN ILE 5 2.634 0.467 -4.205 42 HA ILE 5 HA ILE 5 -0.132 1.555 -3.837 43 HB ILE 5 HB ILE 5 -0.761 0.284 -5.875 44 1HG1 ILE 5 HG12 ILE 5 2.188 -0.129 -6.366 45 2HG1 ILE 5 HG11 ILE 5 1.234 -1.340 -5.508 46 1HG2 ILE 5 HG21 ILE 5 0.069 2.691 -5.941 47 2HG2 ILE 5 HG22 ILE 5 0.206 1.803 -7.459 48 3HG2 ILE 5 HG23 ILE 5 1.631 2.049 -6.449 49 1HD1 ILE 5 HD11 ILE 5 0.538 -0.241 -8.247 50 2HD1 ILE 5 HD12 ILE 5 -0.286 -1.549 -7.399 51 3HD1 ILE 5 HD13 ILE 5 1.368 -1.772 -7.969 52 H TRP 6 HN TRP 6 1.626 -0.127 -2.095 53 HA TRP 6 HA TRP 6 -0.117 -2.564 -1.981 54 1HB TRP 6 HB2 TRP 6 2.775 -2.210 -2.211 55 2HB TRP 6 HB1 TRP 6 2.339 -3.214 -0.828 56 HD1 TRP 6 HD1 TRP 6 3.535 -3.990 -3.911 57 HE1 TRP 6 HE1 TRP 6 2.390 -5.991 -5.064 58 HE3 TRP 6 HE3 TRP 6 -0.797 -4.201 -1.216 59 HZ2 TRP 6 HZ2 TRP 6 -0.042 -7.484 -4.869 60 HZ3 TRP 6 HZ3 TRP 6 -2.509 -5.920 -1.719 61 HH2 TRP 6 HH2 TRP 6 -2.137 -7.561 -3.541 62 H LYS 7 HN LYS 7 1.931 -0.300 -0.164 63 HA LYS 7 HA LYS 7 1.060 -1.252 2.448 64 1HB LYS 7 HB2 LYS 7 3.119 0.258 1.411 65 2HB LYS 7 HB1 LYS 7 2.119 1.487 2.186 66 1HG LYS 7 HG2 LYS 7 3.804 0.550 3.750 67 2HG LYS 7 HG1 LYS 7 2.156 0.226 4.289 68 1HD LYS 7 HD2 LYS 7 2.823 -1.923 2.599 69 2HD LYS 7 HD1 LYS 7 4.247 -1.656 3.605 70 1HE LYS 7 HE2 LYS 7 2.117 -1.409 5.397 71 2HE LYS 7 HE1 LYS 7 1.659 -2.773 4.358 72 1HZ LYS 7 HZ1 LYS 7 4.117 -3.435 4.616 73 2HZ LYS 7 HZ2 LYS 7 3.056 -3.759 5.903 74 3HZ LYS 7 HZ3 LYS 7 4.103 -2.422 5.976 75 HA PRO 8 HA PRO 8 -1.886 2.344 2.114 76 1HB PRO 8 HB2 PRO 8 -2.092 3.794 -0.192 77 2HB PRO 8 HB1 PRO 8 -0.868 4.126 1.049 78 1HG PRO 8 HG2 PRO 8 -0.603 2.688 -1.537 79 2HG PRO 8 HG1 PRO 8 0.531 3.781 -0.730 80 1HD PRO 8 HD2 PRO 8 0.772 1.063 -0.716 81 2HD PRO 8 HD1 PRO 8 1.418 2.119 0.557 82 H ILE 9 HN ILE 9 -1.653 0.344 -0.746 83 HA ILE 9 HA ILE 9 -4.095 0.514 -2.013 84 HB ILE 9 HB ILE 9 -2.065 -1.126 -2.198 85 1HG1 ILE 9 HG12 ILE 9 -4.940 -1.898 -2.758 86 2HG1 ILE 9 HG11 ILE 9 -3.807 -1.114 -3.860 87 1HG2 ILE 9 HG21 ILE 9 -3.969 -2.720 -0.459 88 2HG2 ILE 9 HG22 ILE 9 -2.345 -2.197 -0.013 89 3HG2 ILE 9 HG23 ILE 9 -2.567 -3.383 -1.298 90 1HD1 ILE 9 HD11 ILE 9 -3.822 -3.967 -2.891 91 2HD1 ILE 9 HD12 ILE 9 -2.336 -3.229 -3.490 92 3HD1 ILE 9 HD13 ILE 9 -3.742 -3.364 -4.546 93 H LYS 10 HN LYS 10 -3.482 -1.185 1.065 94 HA LYS 10 HA LYS 10 -6.391 -1.676 1.406 95 1HB LYS 10 HB2 LYS 10 -4.509 -3.363 1.805 96 2HB LYS 10 HB1 LYS 10 -4.090 -2.409 3.229 97 1HG LYS 10 HG2 LYS 10 -6.958 -3.069 2.993 98 2HG LYS 10 HG1 LYS 10 -5.901 -4.459 3.239 99 1HD LYS 10 HD2 LYS 10 -5.171 -2.206 4.948 100 2HD LYS 10 HD1 LYS 10 -6.826 -2.746 5.228 101 1HE LYS 10 HE2 LYS 10 -5.489 -5.146 5.042 102 2HE LYS 10 HE1 LYS 10 -4.292 -4.114 5.849 103 1HZ LYS 10 HZ1 LYS 10 -6.333 -3.301 7.181 104 2HZ LYS 10 HZ2 LYS 10 -5.613 -4.780 7.605 105 3HZ LYS 10 HZ3 LYS 10 -7.043 -4.759 6.687 106 H LYS 11 HN LYS 11 -3.747 0.193 2.834 107 HA LYS 11 HA LYS 11 -5.219 1.128 5.141 108 1HB LYS 11 HB2 LYS 11 -2.653 1.567 3.761 109 2HB LYS 11 HB1 LYS 11 -3.258 2.992 4.607 110 1HG LYS 11 HG2 LYS 11 -2.369 2.069 6.472 111 2HG LYS 11 HG1 LYS 11 -3.733 0.952 6.418 112 1HD LYS 11 HD2 LYS 11 -2.393 -0.585 4.998 113 2HD LYS 11 HD1 LYS 11 -1.021 0.515 5.134 114 1HE LYS 11 HE2 LYS 11 -0.755 -1.245 6.804 115 2HE LYS 11 HE1 LYS 11 -1.178 0.254 7.655 116 1HZ LYS 11 HZ1 LYS 11 -2.555 -1.723 8.285 117 2HZ LYS 11 HZ2 LYS 11 -3.191 -1.711 6.710 118 3HZ LYS 11 HZ3 LYS 11 -3.445 -0.385 7.741 119 H LEU 12 HN LEU 12 -4.658 2.443 1.877 120 HA LEU 12 HA LEU 12 -6.450 4.746 2.503 121 1HB LEU 12 HB2 LEU 12 -4.307 4.086 0.513 122 2HB LEU 12 HB1 LEU 12 -5.515 5.294 0.073 123 HG LEU 12 HG LEU 12 -3.910 5.374 2.642 124 1HD1 LEU 12 HD11 LEU 12 -2.368 5.683 0.809 125 2HD1 LEU 12 HD12 LEU 12 -2.714 7.275 1.483 126 3HD1 LEU 12 HD13 LEU 12 -3.488 6.765 -0.018 127 1HD2 LEU 12 HD21 LEU 12 -4.711 7.854 2.376 128 2HD2 LEU 12 HD22 LEU 12 -5.850 6.652 2.983 129 3HD2 LEU 12 HD23 LEU 12 -5.924 7.165 1.298 130 H PHE 13 HN PHE 13 -6.858 1.668 1.491 131 HA PHE 13 HA PHE 13 -9.326 2.327 0.010 132 1HB PHE 13 HB2 PHE 13 -6.894 1.895 -1.318 133 2HB PHE 13 HB1 PHE 13 -7.760 0.366 -1.469 134 HD1 PHE 13 HD1 PHE 13 -7.113 2.863 -3.470 135 HD2 PHE 13 HD2 PHE 13 -10.581 1.326 -1.454 136 HE1 PHE 13 HE1 PHE 13 -8.567 3.856 -5.216 137 HE2 PHE 13 HE2 PHE 13 -12.035 2.320 -3.200 138 HZ PHE 13 HZ PHE 13 -11.028 3.585 -5.081 139 1HN NH2 14 HN1 NH2 14 -10.587 1.082 1.507 140 2HN NH2 14 HN2 NH2 14 -10.355 -0.578 1.772 Start of MODEL 6 1 1H ILE 1 HT1 ILE 1 -7.505 4.748 -4.214 2 2H ILE 1 HT2 ILE 1 -8.065 3.160 -4.443 3 3H ILE 1 HT3 ILE 1 -7.066 3.888 -5.609 4 HA ILE 1 HA ILE 1 -5.161 3.632 -4.367 5 HB ILE 1 HB ILE 1 -5.426 3.354 -1.840 6 1HG1 ILE 1 HG12 ILE 1 -8.173 4.474 -2.101 7 2HG1 ILE 1 HG11 ILE 1 -7.996 2.745 -2.404 8 1HG2 ILE 1 HG21 ILE 1 -5.302 5.590 -3.386 9 2HG2 ILE 1 HG22 ILE 1 -5.301 5.624 -1.622 10 3HG2 ILE 1 HG23 ILE 1 -6.802 5.891 -2.509 11 1HD1 ILE 1 HD11 ILE 1 -7.148 4.243 0.091 12 2HD1 ILE 1 HD12 ILE 1 -6.775 2.547 -0.221 13 3HD1 ILE 1 HD13 ILE 1 -8.452 3.063 -0.041 14 H LEU 2 HN LEU 2 -5.088 1.624 -5.568 15 HA LEU 2 HA LEU 2 -6.522 -0.749 -4.962 16 1HB LEU 2 HB2 LEU 2 -3.736 -0.279 -6.072 17 2HB LEU 2 HB1 LEU 2 -4.600 -1.814 -6.176 18 HG LEU 2 HG LEU 2 -5.562 0.827 -7.316 19 1HD1 LEU 2 HD11 LEU 2 -4.592 0.243 -9.276 20 2HD1 LEU 2 HD12 LEU 2 -5.122 -1.433 -9.128 21 3HD1 LEU 2 HD13 LEU 2 -3.642 -0.902 -8.329 22 1HD2 LEU 2 HD21 LEU 2 -7.231 -0.786 -8.435 23 2HD2 LEU 2 HD22 LEU 2 -7.486 -0.441 -6.724 24 3HD2 LEU 2 HD23 LEU 2 -6.733 -1.958 -7.215 25 H GLY 3 HN GLY 3 -5.838 -2.638 -3.743 26 1HA GLY 3 HA2 GLY 3 -5.052 -3.648 -1.773 27 2HA GLY 3 HA1 GLY 3 -3.509 -2.905 -2.197 28 H LYS 4 HN LYS 4 -6.447 -2.517 -0.315 29 HA LYS 4 HA LYS 4 -5.762 0.101 0.757 30 1HB LYS 4 HB2 LYS 4 -7.767 -2.074 1.211 31 2HB LYS 4 HB1 LYS 4 -7.561 -0.868 2.482 32 1HG LYS 4 HG2 LYS 4 -8.144 0.921 1.027 33 2HG LYS 4 HG1 LYS 4 -7.965 -0.088 -0.409 34 1HD LYS 4 HD2 LYS 4 -9.984 -1.182 -0.062 35 2HD LYS 4 HD1 LYS 4 -9.957 -0.896 1.679 36 1HE LYS 4 HE2 LYS 4 -11.660 0.555 0.743 37 2HE LYS 4 HE1 LYS 4 -10.274 1.587 1.151 38 1HZ LYS 4 HZ1 LYS 4 -9.485 1.442 -1.089 39 2HZ LYS 4 HZ2 LYS 4 -11.110 1.935 -1.142 40 3HZ LYS 4 HZ3 LYS 4 -10.694 0.329 -1.507 41 H ILE 5 HN ILE 5 -4.417 -2.937 1.241 42 HA ILE 5 HA ILE 5 -3.330 -2.091 3.901 43 HB ILE 5 HB ILE 5 -5.222 -3.790 3.998 44 1HG1 ILE 5 HG12 ILE 5 -3.623 -5.484 5.314 45 2HG1 ILE 5 HG11 ILE 5 -2.460 -4.180 5.074 46 1HG2 ILE 5 HG21 ILE 5 -5.147 -5.609 2.674 47 2HG2 ILE 5 HG22 ILE 5 -3.566 -6.053 3.318 48 3HG2 ILE 5 HG23 ILE 5 -3.681 -4.966 1.934 49 1HD1 ILE 5 HD11 ILE 5 -5.024 -4.166 6.631 50 2HD1 ILE 5 HD12 ILE 5 -4.445 -2.660 5.919 51 3HD1 ILE 5 HD13 ILE 5 -3.442 -3.529 7.081 52 H TRP 6 HN TRP 6 -2.598 -2.726 0.777 53 HA TRP 6 HA TRP 6 0.068 -3.906 1.479 54 1HB TRP 6 HB2 TRP 6 -1.349 -5.517 0.316 55 2HB TRP 6 HB1 TRP 6 -1.712 -4.332 -0.940 56 HD1 TRP 6 HD1 TRP 6 -0.390 -4.823 -3.041 57 HE1 TRP 6 HE1 TRP 6 1.988 -5.657 -3.584 58 HE3 TRP 6 HE3 TRP 6 1.391 -5.552 1.689 59 HZ2 TRP 6 HZ2 TRP 6 4.336 -6.520 -2.195 60 HZ3 TRP 6 HZ3 TRP 6 3.699 -6.380 2.050 61 HH2 TRP 6 HH2 TRP 6 5.172 -6.864 0.116 62 H LYS 7 HN LYS 7 -1.725 -1.875 -0.830 63 HA LYS 7 HA LYS 7 0.449 -0.830 -2.303 64 1HB LYS 7 HB2 LYS 7 -1.769 -0.423 -3.036 65 2HB LYS 7 HB1 LYS 7 -2.260 0.211 -1.466 66 1HG LYS 7 HG2 LYS 7 -1.321 2.280 -1.849 67 2HG LYS 7 HG1 LYS 7 -0.049 1.627 -2.882 68 1HD LYS 7 HD2 LYS 7 -2.292 1.031 -4.341 69 2HD LYS 7 HD1 LYS 7 -2.751 2.563 -3.597 70 1HE LYS 7 HE2 LYS 7 -0.600 3.560 -4.411 71 2HE LYS 7 HE1 LYS 7 -0.266 2.040 -5.265 72 1HZ LYS 7 HZ1 LYS 7 -2.784 3.579 -5.578 73 2HZ LYS 7 HZ2 LYS 7 -2.269 2.248 -6.500 74 3HZ LYS 7 HZ3 LYS 7 -1.461 3.738 -6.627 75 HA PRO 8 HA PRO 8 0.843 2.562 0.982 76 1HB PRO 8 HB2 PRO 8 -0.309 2.196 3.436 77 2HB PRO 8 HB1 PRO 8 -1.143 2.990 2.084 78 1HG PRO 8 HG2 PRO 8 -1.394 0.202 3.086 79 2HG PRO 8 HG1 PRO 8 -2.644 1.305 2.493 80 1HD PRO 8 HD2 PRO 8 -1.608 -0.713 1.001 81 2HD PRO 8 HD1 PRO 8 -2.248 0.789 0.301 82 H ILE 9 HN ILE 9 0.564 -0.701 2.400 83 HA ILE 9 HA ILE 9 2.747 -0.418 4.262 84 HB ILE 9 HB ILE 9 1.259 -2.697 2.954 85 1HG1 ILE 9 HG12 ILE 9 0.561 -3.044 5.350 86 2HG1 ILE 9 HG11 ILE 9 1.448 -1.577 5.767 87 1HG2 ILE 9 HG21 ILE 9 3.600 -2.848 4.872 88 2HG2 ILE 9 HG22 ILE 9 3.474 -3.591 3.277 89 3HG2 ILE 9 HG23 ILE 9 2.476 -4.181 4.606 90 1HD1 ILE 9 HD11 ILE 9 0.009 -0.206 4.476 91 2HD1 ILE 9 HD12 ILE 9 -1.075 -1.327 5.299 92 3HD1 ILE 9 HD13 ILE 9 -0.659 -1.587 3.605 93 H LYS 10 HN LYS 10 2.650 -0.752 0.845 94 HA LYS 10 HA LYS 10 5.259 -2.077 0.579 95 1HB LYS 10 HB2 LYS 10 3.383 -2.368 -1.017 96 2HB LYS 10 HB1 LYS 10 3.456 -0.648 -1.403 97 1HG LYS 10 HG2 LYS 10 5.985 -2.217 -1.630 98 2HG LYS 10 HG1 LYS 10 4.756 -2.468 -2.871 99 1HD LYS 10 HD2 LYS 10 4.807 0.293 -2.569 100 2HD LYS 10 HD1 LYS 10 6.505 -0.164 -2.431 101 1HE LYS 10 HE2 LYS 10 5.937 -1.680 -4.539 102 2HE LYS 10 HE1 LYS 10 4.648 -0.480 -4.764 103 1HZ LYS 10 HZ1 LYS 10 7.072 -0.034 -5.645 104 2HZ LYS 10 HZ2 LYS 10 7.320 0.478 -4.044 105 3HZ LYS 10 HZ3 LYS 10 6.128 1.219 -5.001 106 H LYS 11 HN LYS 11 4.003 1.195 0.692 107 HA LYS 11 HA LYS 11 6.672 2.287 -0.102 108 1HB LYS 11 HB2 LYS 11 3.890 2.986 -0.503 109 2HB LYS 11 HB1 LYS 11 4.751 4.330 0.247 110 1HG LYS 11 HG2 LYS 11 6.200 4.587 -1.546 111 2HG LYS 11 HG1 LYS 11 6.047 2.901 -2.044 112 1HD LYS 11 HD2 LYS 11 3.468 3.812 -2.330 113 2HD LYS 11 HD1 LYS 11 4.409 5.231 -2.789 114 1HE LYS 11 HE2 LYS 11 5.287 2.598 -3.904 115 2HE LYS 11 HE1 LYS 11 3.823 3.337 -4.585 116 1HZ LYS 11 HZ1 LYS 11 4.959 5.289 -5.111 117 2HZ LYS 11 HZ2 LYS 11 6.050 4.066 -5.557 118 3HZ LYS 11 HZ3 LYS 11 6.273 4.919 -4.105 119 H LEU 12 HN LEU 12 4.362 2.079 2.542 120 HA LEU 12 HA LEU 12 5.797 4.060 4.191 121 1HB LEU 12 HB2 LEU 12 3.397 2.249 4.489 122 2HB LEU 12 HB1 LEU 12 4.021 3.171 5.857 123 HG LEU 12 HG LEU 12 3.385 4.484 3.213 124 1HD1 LEU 12 HD11 LEU 12 1.524 3.281 5.000 125 2HD1 LEU 12 HD12 LEU 12 1.178 4.321 3.618 126 3HD1 LEU 12 HD13 LEU 12 1.405 5.027 5.218 127 1HD2 LEU 12 HD21 LEU 12 3.234 6.490 4.662 128 2HD2 LEU 12 HD22 LEU 12 4.815 5.719 4.796 129 3HD2 LEU 12 HD23 LEU 12 3.614 5.494 6.067 130 H PHE 13 HN PHE 13 6.090 0.737 3.480 131 HA PHE 13 HA PHE 13 6.731 -0.619 5.790 132 1HB PHE 13 HB2 PHE 13 8.147 -1.949 4.392 133 2HB PHE 13 HB1 PHE 13 6.910 -1.291 3.323 134 HD1 PHE 13 HD1 PHE 13 10.342 -1.831 3.637 135 HD2 PHE 13 HD2 PHE 13 7.543 1.181 2.394 136 HE1 PHE 13 HE1 PHE 13 12.103 -0.764 2.256 137 HE2 PHE 13 HE2 PHE 13 9.304 2.248 1.014 138 HZ PHE 13 HZ PHE 13 11.584 1.276 0.944 139 1HN NH2 14 HN1 NH2 14 8.704 -0.805 7.116 140 2HN NH2 14 HN2 NH2 14 9.843 0.452 7.186 Start of MODEL 7 1 1H ILE 1 HT1 ILE 1 7.800 3.779 -2.552 2 2H ILE 1 HT2 ILE 1 7.207 2.231 -2.924 3 3H ILE 1 HT3 ILE 1 7.866 3.208 -4.148 4 HA ILE 1 HA ILE 1 9.633 1.805 -3.742 5 HB ILE 1 HB ILE 1 9.733 4.217 -1.911 6 1HG1 ILE 1 HG12 ILE 1 10.767 3.635 -4.704 7 2HG1 ILE 1 HG11 ILE 1 9.468 4.748 -4.272 8 1HG2 ILE 1 HG21 ILE 1 11.748 3.561 -1.156 9 2HG2 ILE 1 HG22 ILE 1 12.321 3.338 -2.809 10 3HG2 ILE 1 HG23 ILE 1 11.519 2.012 -1.967 11 1HD1 ILE 1 HD11 ILE 1 11.503 6.030 -4.636 12 2HD1 ILE 1 HD12 ILE 1 12.392 5.002 -3.511 13 3HD1 ILE 1 HD13 ILE 1 11.113 6.062 -2.916 14 H LEU 2 HN LEU 2 7.736 2.481 -0.858 15 HA LEU 2 HA LEU 2 8.898 0.021 0.406 16 1HB LEU 2 HB2 LEU 2 8.320 2.773 1.502 17 2HB LEU 2 HB1 LEU 2 8.408 1.375 2.574 18 HG LEU 2 HG LEU 2 10.632 1.425 0.694 19 1HD1 LEU 2 HD11 LEU 2 10.524 3.698 2.689 20 2HD1 LEU 2 HD12 LEU 2 10.132 3.910 0.983 21 3HD1 LEU 2 HD13 LEU 2 11.751 3.399 1.458 22 1HD2 LEU 2 HD21 LEU 2 10.593 0.044 2.705 23 2HD2 LEU 2 HD22 LEU 2 10.382 1.472 3.718 24 3HD2 LEU 2 HD23 LEU 2 11.896 1.224 2.848 25 H GLY 3 HN GLY 3 7.355 -1.410 1.169 26 1HA GLY 3 HA2 GLY 3 5.236 -2.130 1.979 27 2HA GLY 3 HA1 GLY 3 4.623 -0.493 1.754 28 H LYS 4 HN LYS 4 5.495 -3.450 0.012 29 HA LYS 4 HA LYS 4 4.411 -2.584 -2.535 30 1HB LYS 4 HB2 LYS 4 4.812 -4.927 -3.121 31 2HB LYS 4 HB1 LYS 4 6.163 -4.330 -2.159 32 1HG LYS 4 HG2 LYS 4 4.703 -5.234 -0.142 33 2HG LYS 4 HG1 LYS 4 3.998 -6.255 -1.396 34 1HD LYS 4 HD2 LYS 4 6.809 -6.294 -1.791 35 2HD LYS 4 HD1 LYS 4 6.531 -6.547 -0.067 36 1HE LYS 4 HE2 LYS 4 4.663 -8.221 -0.928 37 2HE LYS 4 HE1 LYS 4 5.672 -8.245 -2.388 38 1HZ LYS 4 HZ1 LYS 4 6.215 -9.784 -0.334 39 2HZ LYS 4 HZ2 LYS 4 7.012 -8.385 0.210 40 3HZ LYS 4 HZ3 LYS 4 7.448 -9.093 -1.272 41 H ILE 5 HN ILE 5 2.954 -3.558 0.387 42 HA ILE 5 HA ILE 5 0.398 -4.171 -1.061 43 HB ILE 5 HB ILE 5 -0.043 -5.747 0.833 44 1HG1 ILE 5 HG12 ILE 5 2.704 -5.956 1.724 45 2HG1 ILE 5 HG11 ILE 5 2.096 -4.324 2.005 46 1HG2 ILE 5 HG21 ILE 5 2.595 -6.685 -0.083 47 2HG2 ILE 5 HG22 ILE 5 1.541 -6.126 -1.382 48 3HG2 ILE 5 HG23 ILE 5 1.004 -7.413 -0.303 49 1HD1 ILE 5 HD11 ILE 5 1.397 -6.811 3.360 50 2HD1 ILE 5 HD12 ILE 5 -0.028 -5.967 2.754 51 3HD1 ILE 5 HD13 ILE 5 1.085 -5.146 3.848 52 H TRP 6 HN TRP 6 2.003 -2.085 1.028 53 HA TRP 6 HA TRP 6 -0.376 -1.427 2.674 54 1HB TRP 6 HB2 TRP 6 1.976 -1.603 3.566 55 2HB TRP 6 HB1 TRP 6 2.401 -0.205 2.579 56 HD1 TRP 6 HD1 TRP 6 2.384 1.926 3.940 57 HE1 TRP 6 HE1 TRP 6 0.986 2.875 5.887 58 HE3 TRP 6 HE3 TRP 6 -0.821 -1.974 4.707 59 HZ2 TRP 6 HZ2 TRP 6 -1.202 2.083 7.551 60 HZ3 TRP 6 HZ3 TRP 6 -2.550 -1.851 6.478 61 HH2 TRP 6 HH2 TRP 6 -2.745 0.171 7.899 62 H LYS 7 HN LYS 7 1.258 -0.369 -0.196 63 HA LYS 7 HA LYS 7 0.363 2.392 -0.168 64 1HB LYS 7 HB2 LYS 7 1.617 0.440 -2.051 65 2HB LYS 7 HB1 LYS 7 0.881 1.883 -2.749 66 1HG LYS 7 HG2 LYS 7 2.260 3.328 -1.386 67 2HG LYS 7 HG1 LYS 7 2.885 1.951 -0.478 68 1HD LYS 7 HD2 LYS 7 4.607 2.133 -1.980 69 2HD LYS 7 HD1 LYS 7 3.527 1.153 -2.973 70 1HE LYS 7 HE2 LYS 7 2.955 2.928 -4.347 71 2HE LYS 7 HE1 LYS 7 3.184 4.130 -3.061 72 1HZ LYS 7 HZ1 LYS 7 5.236 2.720 -4.652 73 2HZ LYS 7 HZ2 LYS 7 5.613 3.370 -3.128 74 3HZ LYS 7 HZ3 LYS 7 5.070 4.385 -4.377 75 HA PRO 8 HA PRO 8 -3.129 0.711 -2.829 76 1HB PRO 8 HB2 PRO 8 -3.504 -1.985 -3.085 77 2HB PRO 8 HB1 PRO 8 -2.427 -1.055 -4.147 78 1HG PRO 8 HG2 PRO 8 -1.764 -2.776 -1.815 79 2HG PRO 8 HG1 PRO 8 -0.910 -2.578 -3.354 80 1HD PRO 8 HD2 PRO 8 -0.119 -1.395 -1.032 81 2HD PRO 8 HD1 PRO 8 0.217 -0.723 -2.641 82 H ILE 9 HN ILE 9 -2.508 -1.549 -0.129 83 HA ILE 9 HA ILE 9 -5.136 -2.157 0.641 84 HB ILE 9 HB ILE 9 -2.522 -1.734 2.079 85 1HG1 ILE 9 HG12 ILE 9 -4.299 -4.152 1.615 86 2HG1 ILE 9 HG11 ILE 9 -2.870 -3.740 0.665 87 1HG2 ILE 9 HG21 ILE 9 -3.698 -2.817 4.081 88 2HG2 ILE 9 HG22 ILE 9 -5.216 -2.367 3.304 89 3HG2 ILE 9 HG23 ILE 9 -4.070 -1.118 3.792 90 1HD1 ILE 9 HD11 ILE 9 -1.660 -3.709 2.990 91 2HD1 ILE 9 HD12 ILE 9 -1.997 -5.257 2.216 92 3HD1 ILE 9 HD13 ILE 9 -3.037 -4.677 3.516 93 H LYS 10 HN LYS 10 -3.307 0.829 1.137 94 HA LYS 10 HA LYS 10 -5.474 1.978 2.809 95 1HB LYS 10 HB2 LYS 10 -3.183 2.352 3.496 96 2HB LYS 10 HB1 LYS 10 -2.743 2.918 1.884 97 1HG LYS 10 HG2 LYS 10 -4.954 4.319 3.343 98 2HG LYS 10 HG1 LYS 10 -3.286 4.654 3.809 99 1HD LYS 10 HD2 LYS 10 -2.922 4.914 1.212 100 2HD LYS 10 HD1 LYS 10 -4.664 5.189 1.197 101 1HE LYS 10 HE2 LYS 10 -3.592 7.353 1.442 102 2HE LYS 10 HE1 LYS 10 -4.288 6.936 3.021 103 1HZ LYS 10 HZ1 LYS 10 -1.629 5.896 2.479 104 2HZ LYS 10 HZ2 LYS 10 -2.272 6.536 3.915 105 3HZ LYS 10 HZ3 LYS 10 -1.723 7.577 2.690 106 H LYS 11 HN LYS 11 -4.194 2.110 -0.453 107 HA LYS 11 HA LYS 11 -5.598 4.570 -1.192 108 1HB LYS 11 HB2 LYS 11 -3.852 2.496 -2.426 109 2HB LYS 11 HB1 LYS 11 -4.895 3.401 -3.524 110 1HG LYS 11 HG2 LYS 11 -3.646 5.168 -1.587 111 2HG LYS 11 HG1 LYS 11 -2.433 4.250 -2.480 112 1HD LYS 11 HD2 LYS 11 -2.708 5.844 -4.076 113 2HD LYS 11 HD1 LYS 11 -4.172 4.948 -4.482 114 1HE LYS 11 HE2 LYS 11 -5.535 6.402 -3.109 115 2HE LYS 11 HE1 LYS 11 -4.095 7.203 -2.448 116 1HZ LYS 11 HZ1 LYS 11 -3.677 8.282 -4.387 117 2HZ LYS 11 HZ2 LYS 11 -5.363 8.154 -4.550 118 3HZ LYS 11 HZ3 LYS 11 -4.343 7.059 -5.355 119 H LEU 12 HN LEU 12 -6.587 1.381 -0.670 120 HA LEU 12 HA LEU 12 -9.238 1.868 -1.753 121 1HB LEU 12 HB2 LEU 12 -9.119 0.266 -3.587 122 2HB LEU 12 HB1 LEU 12 -7.825 1.448 -3.790 123 HG LEU 12 HG LEU 12 -6.928 -0.736 -2.119 124 1HD1 LEU 12 HD11 LEU 12 -8.431 -1.406 -4.606 125 2HD1 LEU 12 HD12 LEU 12 -8.207 -2.357 -3.138 126 3HD1 LEU 12 HD13 LEU 12 -6.911 -2.258 -4.330 127 1HD2 LEU 12 HD21 LEU 12 -6.092 0.137 -4.903 128 2HD2 LEU 12 HD22 LEU 12 -5.118 -0.779 -3.752 129 3HD2 LEU 12 HD23 LEU 12 -5.538 0.900 -3.413 130 H PHE 13 HN PHE 13 -8.146 0.997 0.779 131 HA PHE 13 HA PHE 13 -9.847 -1.248 1.347 132 1HB PHE 13 HB2 PHE 13 -7.731 -2.052 -0.067 133 2HB PHE 13 HB1 PHE 13 -6.962 -2.028 1.520 134 HD1 PHE 13 HD1 PHE 13 -9.650 -3.538 -0.516 135 HD2 PHE 13 HD2 PHE 13 -7.620 -3.573 3.269 136 HE1 PHE 13 HE1 PHE 13 -10.735 -5.696 0.045 137 HE2 PHE 13 HE2 PHE 13 -8.706 -5.731 3.831 138 HZ PHE 13 HZ PHE 13 -10.263 -6.792 2.219 139 1HN NH2 14 HN1 NH2 14 -9.154 1.347 2.571 140 2HN NH2 14 HN2 NH2 14 -8.546 1.020 4.122 Start of MODEL 8 1 1H ILE 1 HT1 ILE 1 11.157 -2.270 2.695 2 2H ILE 1 HT2 ILE 1 12.653 -1.484 2.525 3 3H ILE 1 HT3 ILE 1 12.251 -2.782 1.505 4 HA ILE 1 HA ILE 1 11.986 -0.257 0.746 5 HB ILE 1 HB ILE 1 11.765 -2.249 -0.630 6 1HG1 ILE 1 HG12 ILE 1 9.420 -1.638 -1.722 7 2HG1 ILE 1 HG11 ILE 1 9.526 -0.258 -0.628 8 1HG2 ILE 1 HG21 ILE 1 8.990 -2.675 0.470 9 2HG2 ILE 1 HG22 ILE 1 10.392 -3.425 1.232 10 3HG2 ILE 1 HG23 ILE 1 9.994 -3.798 -0.445 11 1HD1 ILE 1 HD11 ILE 1 11.325 -0.998 -2.917 12 2HD1 ILE 1 HD12 ILE 1 11.965 -0.044 -1.579 13 3HD1 ILE 1 HD13 ILE 1 10.608 0.566 -2.527 14 H LEU 2 HN LEU 2 10.439 1.399 0.795 15 HA LEU 2 HA LEU 2 8.819 1.910 2.968 16 1HB LEU 2 HB2 LEU 2 8.852 2.666 0.090 17 2HB LEU 2 HB1 LEU 2 7.394 3.085 0.991 18 HG LEU 2 HG LEU 2 9.618 3.734 2.642 19 1HD1 LEU 2 HD11 LEU 2 10.521 3.746 0.061 20 2HD1 LEU 2 HD12 LEU 2 11.150 4.795 1.332 21 3HD1 LEU 2 HD13 LEU 2 9.922 5.397 0.218 22 1HD2 LEU 2 HD21 LEU 2 7.971 5.686 1.029 23 2HD2 LEU 2 HD22 LEU 2 8.598 5.874 2.666 24 3HD2 LEU 2 HD23 LEU 2 7.261 4.767 2.356 25 H GLY 3 HN GLY 3 6.930 1.387 0.060 26 1HA GLY 3 HA2 GLY 3 5.758 -1.099 0.479 27 2HA GLY 3 HA1 GLY 3 4.872 -0.013 1.547 28 H LYS 4 HN LYS 4 5.892 -0.369 -1.839 29 HA LYS 4 HA LYS 4 3.920 1.583 -2.785 30 1HB LYS 4 HB2 LYS 4 5.579 -0.463 -4.292 31 2HB LYS 4 HB1 LYS 4 4.861 1.006 -4.953 32 1HG LYS 4 HG2 LYS 4 6.414 1.757 -2.683 33 2HG LYS 4 HG1 LYS 4 7.409 0.699 -3.683 34 1HD LYS 4 HD2 LYS 4 6.174 2.321 -5.553 35 2HD LYS 4 HD1 LYS 4 6.477 3.428 -4.214 36 1HE LYS 4 HE2 LYS 4 8.450 3.457 -5.621 37 2HE LYS 4 HE1 LYS 4 8.870 2.523 -4.171 38 1HZ LYS 4 HZ1 LYS 4 9.397 1.434 -6.376 39 2HZ LYS 4 HZ2 LYS 4 7.720 1.264 -6.595 40 3HZ LYS 4 HZ3 LYS 4 8.491 0.504 -5.285 41 H ILE 5 HN ILE 5 3.590 -1.497 -1.623 42 HA ILE 5 HA ILE 5 1.280 -2.076 -3.451 43 HB ILE 5 HB ILE 5 1.850 -4.496 -2.829 44 1HG1 ILE 5 HG12 ILE 5 4.442 -3.186 -1.950 45 2HG1 ILE 5 HG11 ILE 5 3.237 -3.842 -0.840 46 1HG2 ILE 5 HG21 ILE 5 2.990 -2.714 -4.739 47 2HG2 ILE 5 HG22 ILE 5 2.798 -4.462 -4.868 48 3HG2 ILE 5 HG23 ILE 5 4.275 -3.785 -4.181 49 1HD1 ILE 5 HD11 ILE 5 3.469 -6.061 -1.939 50 2HD1 ILE 5 HD12 ILE 5 4.988 -5.508 -1.236 51 3HD1 ILE 5 HD13 ILE 5 4.730 -5.394 -2.976 52 H TRP 6 HN TRP 6 2.325 -1.457 -0.253 53 HA TRP 6 HA TRP 6 -0.079 -2.763 0.941 54 1HB TRP 6 HB2 TRP 6 2.591 -1.767 1.903 55 2HB TRP 6 HB1 TRP 6 1.272 -1.966 3.057 56 HD1 TRP 6 HD1 TRP 6 4.067 -3.820 1.832 57 HE1 TRP 6 HE1 TRP 6 3.714 -6.368 2.016 58 HE3 TRP 6 HE3 TRP 6 -0.984 -3.961 2.580 59 HZ2 TRP 6 HZ2 TRP 6 1.573 -8.220 2.427 60 HZ3 TRP 6 HZ3 TRP 6 -2.152 -6.128 2.864 61 HH2 TRP 6 HH2 TRP 6 -0.881 -8.255 2.789 62 H LYS 7 HN LYS 7 1.487 0.361 0.444 63 HA LYS 7 HA LYS 7 -0.137 1.973 2.143 64 1HB LYS 7 HB2 LYS 7 1.536 2.325 -0.318 65 2HB LYS 7 HB1 LYS 7 0.521 3.672 0.200 66 1HG LYS 7 HG2 LYS 7 1.605 3.824 2.306 67 2HG LYS 7 HG1 LYS 7 2.352 2.236 2.125 68 1HD LYS 7 HD2 LYS 7 3.688 3.112 0.217 69 2HD LYS 7 HD1 LYS 7 2.987 4.708 0.487 70 1HE LYS 7 HE2 LYS 7 5.264 4.358 1.571 71 2HE LYS 7 HE1 LYS 7 3.984 4.834 2.705 72 1HZ LYS 7 HZ1 LYS 7 4.461 1.989 2.090 73 2HZ LYS 7 HZ2 LYS 7 3.719 2.675 3.455 74 3HZ LYS 7 HZ3 LYS 7 5.404 2.774 3.261 75 HA PRO 8 HA PRO 8 -2.974 2.680 -1.638 76 1HB PRO 8 HB2 PRO 8 -2.794 0.920 -3.725 77 2HB PRO 8 HB1 PRO 8 -1.872 2.436 -3.658 78 1HG PRO 8 HG2 PRO 8 -0.995 -0.340 -3.055 79 2HG PRO 8 HG1 PRO 8 -0.125 0.968 -3.870 80 1HD PRO 8 HD2 PRO 8 0.309 0.267 -1.278 81 2HD PRO 8 HD1 PRO 8 0.572 1.907 -1.906 82 H ILE 9 HN ILE 9 -2.023 -0.627 -0.830 83 HA ILE 9 HA ILE 9 -4.505 -1.953 -1.261 84 HB ILE 9 HB ILE 9 -2.024 -2.309 0.368 85 1HG1 ILE 9 HG12 ILE 9 -1.776 -4.259 -0.962 86 2HG1 ILE 9 HG11 ILE 9 -3.494 -4.311 -1.353 87 1HG2 ILE 9 HG21 ILE 9 -4.608 -3.804 0.863 88 2HG2 ILE 9 HG22 ILE 9 -3.575 -3.005 2.048 89 3HG2 ILE 9 HG23 ILE 9 -3.031 -4.486 1.261 90 1HD1 ILE 9 HD11 ILE 9 -1.863 -1.922 -2.168 91 2HD1 ILE 9 HD12 ILE 9 -3.332 -2.567 -2.899 92 3HD1 ILE 9 HD13 ILE 9 -1.793 -3.395 -3.134 93 H LYS 10 HN LYS 10 -3.449 0.232 1.270 94 HA LYS 10 HA LYS 10 -5.628 -0.447 3.114 95 1HB LYS 10 HB2 LYS 10 -3.596 0.332 4.070 96 2HB LYS 10 HB1 LYS 10 -3.471 1.661 2.918 97 1HG LYS 10 HG2 LYS 10 -5.925 1.634 4.581 98 2HG LYS 10 HG1 LYS 10 -4.422 1.967 5.442 99 1HD LYS 10 HD2 LYS 10 -4.530 3.415 2.923 100 2HD LYS 10 HD1 LYS 10 -5.918 3.800 3.941 101 1HE LYS 10 HE2 LYS 10 -4.157 4.041 5.858 102 2HE LYS 10 HE1 LYS 10 -2.987 4.192 4.531 103 1HZ LYS 10 HZ1 LYS 10 -3.890 6.120 3.820 104 2HZ LYS 10 HZ2 LYS 10 -4.415 6.246 5.431 105 3HZ LYS 10 HZ3 LYS 10 -5.473 5.671 4.232 106 H LYS 11 HN LYS 11 -5.137 1.692 0.413 107 HA LYS 11 HA LYS 11 -7.119 3.685 1.030 108 1HB LYS 11 HB2 LYS 11 -5.259 3.011 -1.007 109 2HB LYS 11 HB1 LYS 11 -6.831 3.161 -1.792 110 1HG LYS 11 HG2 LYS 11 -6.949 5.402 -1.411 111 2HG LYS 11 HG1 LYS 11 -6.246 5.260 0.201 112 1HD LYS 11 HD2 LYS 11 -4.587 4.887 -2.296 113 2HD LYS 11 HD1 LYS 11 -4.833 6.476 -1.571 114 1HE LYS 11 HE2 LYS 11 -3.751 5.833 0.461 115 2HE LYS 11 HE1 LYS 11 -3.806 4.113 0.026 116 1HZ LYS 11 HZ1 LYS 11 -2.190 6.267 -1.195 117 2HZ LYS 11 HZ2 LYS 11 -2.533 4.837 -2.046 118 3HZ LYS 11 HZ3 LYS 11 -1.668 4.773 -0.585 119 H LEU 12 HN LEU 12 -7.265 0.750 -1.026 120 HA LEU 12 HA LEU 12 -10.118 1.014 -1.523 121 1HB LEU 12 HB2 LEU 12 -7.852 -0.642 -2.276 122 2HB LEU 12 HB1 LEU 12 -9.279 -1.634 -1.971 123 HG LEU 12 HG LEU 12 -9.100 0.739 -3.849 124 1HD1 LEU 12 HD11 LEU 12 -8.117 -1.448 -4.617 125 2HD1 LEU 12 HD12 LEU 12 -9.479 -0.899 -5.594 126 3HD1 LEU 12 HD13 LEU 12 -9.708 -2.179 -4.403 127 1HD2 LEU 12 HD21 LEU 12 -11.332 -0.269 -2.410 128 2HD2 LEU 12 HD22 LEU 12 -11.514 -0.816 -4.077 129 3HD2 LEU 12 HD23 LEU 12 -11.345 0.904 -3.727 130 H PHE 13 HN PHE 13 -8.304 -0.064 1.154 131 HA PHE 13 HA PHE 13 -10.630 -1.674 2.159 132 1HB PHE 13 HB2 PHE 13 -7.743 -2.084 2.037 133 2HB PHE 13 HB1 PHE 13 -8.358 -2.266 3.681 134 HD1 PHE 13 HD1 PHE 13 -10.361 -3.804 4.069 135 HD2 PHE 13 HD2 PHE 13 -8.112 -3.764 0.410 136 HE1 PHE 13 HE1 PHE 13 -11.274 -6.034 3.483 137 HE2 PHE 13 HE2 PHE 13 -9.025 -5.994 -0.176 138 HZ PHE 13 HZ PHE 13 -10.606 -7.129 1.361 139 1HN NH2 14 HN1 NH2 14 -10.168 1.332 2.396 140 2HN NH2 14 HN2 NH2 14 -10.118 1.641 4.064 Start of MODEL 9 1 1H ILE 1 HT1 ILE 1 10.902 4.159 2.987 2 2H ILE 1 HT2 ILE 1 10.171 3.748 1.510 3 3H ILE 1 HT3 ILE 1 11.179 2.632 2.301 4 HA ILE 1 HA ILE 1 9.561 2.610 4.190 5 HB ILE 1 HB ILE 1 8.677 4.853 3.595 6 1HG1 ILE 1 HG12 ILE 1 6.228 3.277 3.229 7 2HG1 ILE 1 HG11 ILE 1 7.256 2.663 4.524 8 1HG2 ILE 1 HG21 ILE 1 8.129 3.423 1.070 9 2HG2 ILE 1 HG22 ILE 1 8.399 5.143 1.354 10 3HG2 ILE 1 HG23 ILE 1 6.806 4.442 1.637 11 1HD1 ILE 1 HD11 ILE 1 7.051 4.584 5.790 12 2HD1 ILE 1 HD12 ILE 1 5.488 4.604 4.975 13 3HD1 ILE 1 HD13 ILE 1 6.806 5.614 4.380 14 H LEU 2 HN LEU 2 9.635 2.098 0.750 15 HA LEU 2 HA LEU 2 8.904 0.277 -0.567 16 1HB LEU 2 HB2 LEU 2 9.208 -0.771 2.236 17 2HB LEU 2 HB1 LEU 2 8.585 -1.835 0.975 18 HG LEU 2 HG LEU 2 10.992 -0.264 0.251 19 1HD1 LEU 2 HD11 LEU 2 11.240 -2.664 2.079 20 2HD1 LEU 2 HD12 LEU 2 11.354 -1.003 2.660 21 3HD1 LEU 2 HD13 LEU 2 12.532 -1.614 1.499 22 1HD2 LEU 2 HD21 LEU 2 11.596 -2.482 -0.739 23 2HD2 LEU 2 HD22 LEU 2 10.025 -1.896 -1.285 24 3HD2 LEU 2 HD23 LEU 2 10.117 -3.154 -0.052 25 H GLY 3 HN GLY 3 6.952 -1.109 -0.975 26 1HA GLY 3 HA2 GLY 3 4.620 -1.192 0.572 27 2HA GLY 3 HA1 GLY 3 4.521 0.310 -0.346 28 H LYS 4 HN LYS 4 6.031 -2.684 -1.448 29 HA LYS 4 HA LYS 4 4.987 -2.690 -4.041 30 1HB LYS 4 HB2 LYS 4 6.761 -4.158 -2.922 31 2HB LYS 4 HB1 LYS 4 5.427 -5.158 -2.344 32 1HG LYS 4 HG2 LYS 4 4.685 -5.546 -4.647 33 2HG LYS 4 HG1 LYS 4 5.964 -4.494 -5.254 34 1HD LYS 4 HD2 LYS 4 6.999 -6.556 -3.465 35 2HD LYS 4 HD1 LYS 4 6.165 -7.243 -4.860 36 1HE LYS 4 HE2 LYS 4 8.138 -4.995 -5.249 37 2HE LYS 4 HE1 LYS 4 8.701 -6.673 -5.114 38 1HZ LYS 4 HZ1 LYS 4 8.231 -6.406 -7.375 39 2HZ LYS 4 HZ2 LYS 4 6.810 -5.524 -7.078 40 3HZ LYS 4 HZ3 LYS 4 6.858 -7.193 -6.766 41 H ILE 5 HN ILE 5 3.340 -3.442 -1.063 42 HA ILE 5 HA ILE 5 0.856 -3.998 -2.616 43 HB ILE 5 HB ILE 5 2.021 -6.136 -2.033 44 1HG1 ILE 5 HG12 ILE 5 -0.293 -6.229 -0.211 45 2HG1 ILE 5 HG11 ILE 5 -0.646 -5.500 -1.778 46 1HG2 ILE 5 HG21 ILE 5 1.536 -5.178 0.806 47 2HG2 ILE 5 HG22 ILE 5 3.112 -5.351 0.033 48 3HG2 ILE 5 HG23 ILE 5 2.127 -6.778 0.356 49 1HD1 ILE 5 HD11 ILE 5 0.105 -8.297 -1.118 50 2HD1 ILE 5 HD12 ILE 5 0.809 -7.629 -2.590 51 3HD1 ILE 5 HD13 ILE 5 -0.943 -7.684 -2.398 52 H TRP 6 HN TRP 6 2.224 -1.994 -0.536 53 HA TRP 6 HA TRP 6 -0.024 -1.936 1.432 54 1HB TRP 6 HB2 TRP 6 2.843 -1.393 1.431 55 2HB TRP 6 HB1 TRP 6 1.925 -0.059 2.130 56 HD1 TRP 6 HD1 TRP 6 3.700 -2.714 3.441 57 HE1 TRP 6 HE1 TRP 6 2.622 -3.788 5.521 58 HE3 TRP 6 HE3 TRP 6 -1.066 -0.935 2.984 59 HZ2 TRP 6 HZ2 TRP 6 0.076 -3.880 6.821 60 HZ3 TRP 6 HZ3 TRP 6 -2.795 -1.531 4.656 61 HH2 TRP 6 HH2 TRP 6 -2.231 -3.000 6.572 62 H LYS 7 HN LYS 7 1.770 0.084 -0.875 63 HA LYS 7 HA LYS 7 0.525 2.570 -0.497 64 1HB LYS 7 HB2 LYS 7 2.311 1.441 -2.231 65 2HB LYS 7 HB1 LYS 7 0.927 1.693 -3.296 66 1HG LYS 7 HG2 LYS 7 1.079 3.970 -3.180 67 2HG LYS 7 HG1 LYS 7 1.591 3.951 -1.492 68 1HD LYS 7 HD2 LYS 7 3.427 2.939 -3.654 69 2HD LYS 7 HD1 LYS 7 3.325 4.664 -3.300 70 1HE LYS 7 HE2 LYS 7 3.613 3.810 -0.786 71 2HE LYS 7 HE1 LYS 7 4.407 2.449 -1.604 72 1HZ LYS 7 HZ1 LYS 7 5.945 3.826 -2.606 73 2HZ LYS 7 HZ2 LYS 7 5.781 4.561 -1.083 74 3HZ LYS 7 HZ3 LYS 7 4.987 5.215 -2.435 75 HA PRO 8 HA PRO 8 -2.936 1.277 -3.528 76 1HB PRO 8 HB2 PRO 8 -3.262 -1.388 -4.047 77 2HB PRO 8 HB1 PRO 8 -2.253 -0.327 -5.050 78 1HG PRO 8 HG2 PRO 8 -1.449 -2.257 -2.936 79 2HG PRO 8 HG1 PRO 8 -0.670 -1.885 -4.482 80 1HD PRO 8 HD2 PRO 8 0.201 -0.920 -2.092 81 2HD PRO 8 HD1 PRO 8 0.445 -0.080 -3.637 82 H ILE 9 HN ILE 9 -2.168 -1.302 -1.170 83 HA ILE 9 HA ILE 9 -4.735 -2.013 -0.314 84 HB ILE 9 HB ILE 9 -2.041 -1.728 1.006 85 1HG1 ILE 9 HG12 ILE 9 -2.619 -3.568 -0.639 86 2HG1 ILE 9 HG11 ILE 9 -2.092 -4.138 0.945 87 1HG2 ILE 9 HG21 ILE 9 -4.655 -2.498 2.320 88 2HG2 ILE 9 HG22 ILE 9 -3.466 -1.320 2.874 89 3HG2 ILE 9 HG23 ILE 9 -3.097 -3.043 2.941 90 1HD1 ILE 9 HD11 ILE 9 -4.946 -3.920 -0.049 91 2HD1 ILE 9 HD12 ILE 9 -4.509 -4.307 1.615 92 3HD1 ILE 9 HD13 ILE 9 -4.059 -5.402 0.308 93 H LYS 10 HN LYS 10 -2.991 0.978 0.248 94 HA LYS 10 HA LYS 10 -4.923 1.876 2.311 95 1HB LYS 10 HB2 LYS 10 -2.567 2.345 2.638 96 2HB LYS 10 HB1 LYS 10 -2.441 3.057 1.029 97 1HG LYS 10 HG2 LYS 10 -4.565 4.347 2.490 98 2HG LYS 10 HG1 LYS 10 -3.081 4.386 3.443 99 1HD LYS 10 HD2 LYS 10 -3.085 5.116 0.515 100 2HD LYS 10 HD1 LYS 10 -3.455 6.309 1.761 101 1HE LYS 10 HE2 LYS 10 -0.891 4.700 1.489 102 2HE LYS 10 HE1 LYS 10 -1.076 6.459 1.335 103 1HZ LYS 10 HZ1 LYS 10 -2.186 6.195 3.664 104 2HZ LYS 10 HZ2 LYS 10 -0.494 6.284 3.533 105 3HZ LYS 10 HZ3 LYS 10 -1.255 4.779 3.740 106 H LYS 11 HN LYS 11 -4.256 2.249 -1.100 107 HA LYS 11 HA LYS 11 -5.653 4.725 -1.554 108 1HB LYS 11 HB2 LYS 11 -4.696 2.365 -3.131 109 2HB LYS 11 HB1 LYS 11 -5.804 3.493 -3.914 110 1HG LYS 11 HG2 LYS 11 -3.386 4.509 -2.433 111 2HG LYS 11 HG1 LYS 11 -3.245 3.947 -4.100 112 1HD LYS 11 HD2 LYS 11 -3.896 6.021 -4.713 113 2HD LYS 11 HD1 LYS 11 -5.505 5.565 -4.151 114 1HE LYS 11 HE2 LYS 11 -5.360 6.912 -2.320 115 2HE LYS 11 HE1 LYS 11 -3.693 6.407 -1.981 116 1HZ LYS 11 HZ1 LYS 11 -4.659 8.496 -3.814 117 2HZ LYS 11 HZ2 LYS 11 -3.204 7.693 -4.166 118 3HZ LYS 11 HZ3 LYS 11 -3.374 8.552 -2.710 119 H LEU 12 HN LEU 12 -6.751 1.519 -0.866 120 HA LEU 12 HA LEU 12 -9.546 2.331 -1.603 121 1HB LEU 12 HB2 LEU 12 -9.862 -0.118 -2.090 122 2HB LEU 12 HB1 LEU 12 -8.680 0.656 -3.146 123 HG LEU 12 HG LEU 12 -7.350 -0.272 -0.773 124 1HD1 LEU 12 HD11 LEU 12 -7.712 -2.757 -1.318 125 2HD1 LEU 12 HD12 LEU 12 -9.162 -2.242 -2.180 126 3HD1 LEU 12 HD13 LEU 12 -9.013 -1.945 -0.448 127 1HD2 LEU 12 HD21 LEU 12 -5.947 -1.395 -2.397 128 2HD2 LEU 12 HD22 LEU 12 -6.416 0.163 -3.079 129 3HD2 LEU 12 HD23 LEU 12 -7.216 -1.313 -3.619 130 H PHE 13 HN PHE 13 -7.726 2.167 0.982 131 HA PHE 13 HA PHE 13 -9.871 0.951 2.671 132 1HB PHE 13 HB2 PHE 13 -7.641 -0.419 2.052 133 2HB PHE 13 HB1 PHE 13 -7.011 0.516 3.409 134 HD1 PHE 13 HD1 PHE 13 -9.263 -2.166 2.379 135 HD2 PHE 13 HD2 PHE 13 -8.075 0.344 5.656 136 HE1 PHE 13 HE1 PHE 13 -10.395 -3.700 3.964 137 HE2 PHE 13 HE2 PHE 13 -9.207 -1.190 7.242 138 HZ PHE 13 HZ PHE 13 -10.368 -3.212 6.396 139 1HN NH2 14 HN1 NH2 14 -6.776 2.820 2.773 140 2HN NH2 14 HN2 NH2 14 -7.279 3.886 3.994 Start of MODEL 10 1 1H ILE 1 HT1 ILE 1 -10.559 1.831 1.366 2 2H ILE 1 HT2 ILE 1 -12.122 1.179 1.498 3 3H ILE 1 HT3 ILE 1 -11.873 2.634 0.656 4 HA ILE 1 HA ILE 1 -10.933 -0.070 -0.161 5 HB ILE 1 HB ILE 1 -12.939 1.921 -1.276 6 1HG1 ILE 1 HG12 ILE 1 -14.342 -0.333 -0.732 7 2HG1 ILE 1 HG11 ILE 1 -13.125 -0.423 0.542 8 1HG2 ILE 1 HG21 ILE 1 -11.780 0.575 -3.010 9 2HG2 ILE 1 HG22 ILE 1 -13.482 0.134 -2.871 10 3HG2 ILE 1 HG23 ILE 1 -12.244 -0.898 -2.158 11 1HD1 ILE 1 HD11 ILE 1 -14.101 2.285 0.307 12 2HD1 ILE 1 HD12 ILE 1 -14.147 1.210 1.705 13 3HD1 ILE 1 HD13 ILE 1 -15.454 1.174 0.521 14 H LEU 2 HN LEU 2 -8.706 0.815 -0.298 15 HA LEU 2 HA LEU 2 -8.323 2.377 -2.805 16 1HB LEU 2 HB2 LEU 2 -7.421 3.068 -0.009 17 2HB LEU 2 HB1 LEU 2 -6.561 3.690 -1.418 18 HG LEU 2 HG LEU 2 -9.553 3.977 -1.117 19 1HD1 LEU 2 HD11 LEU 2 -7.321 5.726 -0.078 20 2HD1 LEU 2 HD12 LEU 2 -8.740 5.136 0.787 21 3HD1 LEU 2 HD13 LEU 2 -8.916 6.383 -0.448 22 1HD2 LEU 2 HD21 LEU 2 -8.275 6.100 -2.521 23 2HD2 LEU 2 HD22 LEU 2 -9.346 4.862 -3.178 24 3HD2 LEU 2 HD23 LEU 2 -7.604 4.590 -3.135 25 H GLY 3 HN GLY 3 -6.882 0.445 -0.201 26 1HA GLY 3 HA2 GLY 3 -5.500 -1.369 -1.792 27 2HA GLY 3 HA1 GLY 3 -4.386 -0.014 -1.605 28 H LYS 4 HN LYS 4 -6.039 -2.610 0.075 29 HA LYS 4 HA LYS 4 -5.033 -1.913 2.722 30 1HB LYS 4 HB2 LYS 4 -6.940 -3.604 1.574 31 2HB LYS 4 HB1 LYS 4 -5.740 -4.707 2.251 32 1HG LYS 4 HG2 LYS 4 -7.371 -4.235 3.976 33 2HG LYS 4 HG1 LYS 4 -5.871 -3.412 4.406 34 1HD LYS 4 HD2 LYS 4 -7.051 -1.474 2.927 35 2HD LYS 4 HD1 LYS 4 -8.483 -2.272 3.578 36 1HE LYS 4 HE2 LYS 4 -7.714 -1.953 5.855 37 2HE LYS 4 HE1 LYS 4 -6.146 -1.346 5.285 38 1HZ LYS 4 HZ1 LYS 4 -7.087 0.564 4.433 39 2HZ LYS 4 HZ2 LYS 4 -8.009 0.340 5.842 40 3HZ LYS 4 HZ3 LYS 4 -8.641 -0.107 4.330 41 H ILE 5 HN ILE 5 -3.580 -3.210 -0.048 42 HA ILE 5 HA ILE 5 -1.275 -4.183 1.577 43 HB ILE 5 HB ILE 5 -2.889 -6.034 0.880 44 1HG1 ILE 5 HG12 ILE 5 -1.008 -7.469 -0.054 45 2HG1 ILE 5 HG11 ILE 5 -0.016 -6.011 -0.082 46 1HG2 ILE 5 HG21 ILE 5 -3.277 -6.502 -1.343 47 2HG2 ILE 5 HG22 ILE 5 -1.720 -5.856 -1.860 48 3HG2 ILE 5 HG23 ILE 5 -3.045 -4.759 -1.472 49 1HD1 ILE 5 HD11 ILE 5 0.462 -7.081 2.001 50 2HD1 ILE 5 HD12 ILE 5 -1.248 -7.366 2.325 51 3HD1 ILE 5 HD13 ILE 5 -0.600 -5.727 2.387 52 H TRP 6 HN TRP 6 -2.188 -1.961 -0.514 53 HA TRP 6 HA TRP 6 0.261 -2.210 -2.232 54 1HB TRP 6 HB2 TRP 6 -2.589 -1.513 -2.750 55 2HB TRP 6 HB1 TRP 6 -1.378 -0.601 -3.650 56 HD1 TRP 6 HD1 TRP 6 -3.382 -3.520 -4.068 57 HE1 TRP 6 HE1 TRP 6 -2.309 -5.234 -5.667 58 HE3 TRP 6 HE3 TRP 6 1.405 -1.745 -4.179 59 HZ2 TRP 6 HZ2 TRP 6 0.243 -5.780 -6.838 60 HZ3 TRP 6 HZ3 TRP 6 3.135 -2.880 -5.544 61 HH2 TRP 6 HH2 TRP 6 2.561 -4.893 -6.872 62 H LYS 7 HN LYS 7 -1.739 -0.170 -0.193 63 HA LYS 7 HA LYS 7 -0.559 2.372 -0.792 64 1HB LYS 7 HB2 LYS 7 -2.281 1.098 1.226 65 2HB LYS 7 HB1 LYS 7 -1.334 2.445 1.861 66 1HG LYS 7 HG2 LYS 7 -2.123 3.686 -0.304 67 2HG LYS 7 HG1 LYS 7 -3.382 2.451 -0.341 68 1HD LYS 7 HD2 LYS 7 -4.304 3.145 1.702 69 2HD LYS 7 HD1 LYS 7 -2.826 3.974 2.195 70 1HE LYS 7 HE2 LYS 7 -3.210 5.781 0.679 71 2HE LYS 7 HE1 LYS 7 -4.469 4.879 -0.188 72 1HZ LYS 7 HZ1 LYS 7 -4.688 5.369 2.714 73 2HZ LYS 7 HZ2 LYS 7 -5.918 5.009 1.599 74 3HZ LYS 7 HZ3 LYS 7 -5.199 6.548 1.607 75 HA PRO 8 HA PRO 8 2.489 1.389 2.666 76 1HB PRO 8 HB2 PRO 8 2.618 -1.135 3.711 77 2HB PRO 8 HB1 PRO 8 1.518 0.113 4.332 78 1HG PRO 8 HG2 PRO 8 0.955 -2.176 2.522 79 2HG PRO 8 HG1 PRO 8 -0.033 -1.494 3.823 80 1HD PRO 8 HD2 PRO 8 -0.473 -1.005 1.177 81 2HD PRO 8 HD1 PRO 8 -0.930 0.116 2.477 82 H ILE 9 HN ILE 9 1.937 -1.442 0.576 83 HA ILE 9 HA ILE 9 4.534 -2.466 0.337 84 HB ILE 9 HB ILE 9 2.159 -2.167 -1.487 85 1HG1 ILE 9 HG12 ILE 9 2.053 -4.580 -1.205 86 2HG1 ILE 9 HG11 ILE 9 3.627 -4.594 -0.410 87 1HG2 ILE 9 HG21 ILE 9 4.928 -3.038 -2.248 88 2HG2 ILE 9 HG22 ILE 9 3.741 -2.141 -3.195 89 3HG2 ILE 9 HG23 ILE 9 3.547 -3.878 -2.953 90 1HD1 ILE 9 HD11 ILE 9 2.740 -3.265 1.443 91 2HD1 ILE 9 HD12 ILE 9 1.752 -4.709 1.222 92 3HD1 ILE 9 HD13 ILE 9 1.175 -3.148 0.638 93 H LYS 10 HN LYS 10 3.086 0.243 -1.508 94 HA LYS 10 HA LYS 10 5.428 0.824 -3.071 95 1HB LYS 10 HB2 LYS 10 3.207 1.586 -3.689 96 2HB LYS 10 HB1 LYS 10 3.041 2.467 -2.169 97 1HG LYS 10 HG2 LYS 10 5.344 3.092 -3.994 98 2HG LYS 10 HG1 LYS 10 3.750 3.763 -4.344 99 1HD LYS 10 HD2 LYS 10 4.139 4.140 -1.578 100 2HD LYS 10 HD1 LYS 10 5.667 4.587 -2.338 101 1HE LYS 10 HE2 LYS 10 3.140 5.576 -3.611 102 2HE LYS 10 HE1 LYS 10 3.701 6.371 -2.126 103 1HZ LYS 10 HZ1 LYS 10 4.989 7.476 -3.618 104 2HZ LYS 10 HZ2 LYS 10 4.992 6.204 -4.744 105 3HZ LYS 10 HZ3 LYS 10 5.999 6.135 -3.377 106 H LYS 11 HN LYS 11 4.622 1.433 0.237 107 HA LYS 11 HA LYS 11 6.412 3.737 0.569 108 1HB LYS 11 HB2 LYS 11 4.240 3.051 1.843 109 2HB LYS 11 HB1 LYS 11 5.301 1.967 2.744 110 1HG LYS 11 HG2 LYS 11 6.661 3.800 3.504 111 2HG LYS 11 HG1 LYS 11 5.847 4.927 2.419 112 1HD LYS 11 HD2 LYS 11 3.693 4.386 3.659 113 2HD LYS 11 HD1 LYS 11 4.688 3.546 4.850 114 1HE LYS 11 HE2 LYS 11 5.819 6.154 4.298 115 2HE LYS 11 HE1 LYS 11 4.121 6.309 4.791 116 1HZ LYS 11 HZ1 LYS 11 4.491 5.207 6.761 117 2HZ LYS 11 HZ2 LYS 11 5.951 6.061 6.598 118 3HZ LYS 11 HZ3 LYS 11 5.878 4.412 6.195 119 H LEU 12 HN LEU 12 6.406 0.466 2.052 120 HA LEU 12 HA LEU 12 9.039 0.491 3.047 121 1HB LEU 12 HB2 LEU 12 7.181 -1.653 2.007 122 2HB LEU 12 HB1 LEU 12 8.757 -2.063 2.684 123 HG LEU 12 HG LEU 12 6.602 -0.473 4.106 124 1HD1 LEU 12 HD11 LEU 12 6.068 -2.410 5.298 125 2HD1 LEU 12 HD12 LEU 12 7.612 -3.180 4.933 126 3HD1 LEU 12 HD13 LEU 12 6.370 -3.059 3.686 127 1HD2 LEU 12 HD21 LEU 12 8.532 -1.484 5.895 128 2HD2 LEU 12 HD22 LEU 12 8.300 0.201 5.430 129 3HD2 LEU 12 HD23 LEU 12 9.447 -0.807 4.548 130 H PHE 13 HN PHE 13 7.919 0.197 -0.240 131 HA PHE 13 HA PHE 13 10.757 -0.138 -1.137 132 1HB PHE 13 HB2 PHE 13 8.986 -2.162 -1.164 133 2HB PHE 13 HB1 PHE 13 8.540 -1.397 -2.690 134 HD1 PHE 13 HD1 PHE 13 11.104 -3.279 -0.891 135 HD2 PHE 13 HD2 PHE 13 10.218 -1.131 -4.504 136 HE1 PHE 13 HE1 PHE 13 13.084 -4.298 -1.982 137 HE2 PHE 13 HE2 PHE 13 12.198 -2.150 -5.595 138 HZ PHE 13 HZ PHE 13 13.631 -3.734 -4.335 139 1HN NH2 14 HN1 NH2 14 9.780 2.419 -1.103 140 2HN NH2 14 HN2 NH2 14 9.281 2.926 -2.645 Start of MODEL 11 1 1H ILE 1 HT1 ILE 1 8.405 2.607 -0.890 2 2H ILE 1 HT2 ILE 1 7.569 2.943 0.550 3 3H ILE 1 HT3 ILE 1 7.189 1.554 -0.353 4 HA ILE 1 HA ILE 1 9.796 1.133 0.082 5 HB ILE 1 HB ILE 1 8.646 2.535 2.516 6 1HG1 ILE 1 HG12 ILE 1 10.957 3.777 1.241 7 2HG1 ILE 1 HG11 ILE 1 9.570 3.713 0.153 8 1HG2 ILE 1 HG21 ILE 1 11.403 1.469 1.834 9 2HG2 ILE 1 HG22 ILE 1 10.311 0.848 3.073 10 3HG2 ILE 1 HG23 ILE 1 11.038 2.445 3.257 11 1HD1 ILE 1 HD11 ILE 1 9.265 5.737 1.333 12 2HD1 ILE 1 HD12 ILE 1 9.767 5.021 2.864 13 3HD1 ILE 1 HD13 ILE 1 8.204 4.600 2.164 14 H LEU 2 HN LEU 2 10.037 -0.842 1.275 15 HA LEU 2 HA LEU 2 9.292 -2.862 2.251 16 1HB LEU 2 HB2 LEU 2 7.803 -0.626 3.476 17 2HB LEU 2 HB1 LEU 2 7.026 -2.199 3.654 18 HG LEU 2 HG LEU 2 9.924 -1.640 4.343 19 1HD1 LEU 2 HD11 LEU 2 9.239 -0.902 6.356 20 2HD1 LEU 2 HD12 LEU 2 8.236 -2.336 6.577 21 3HD1 LEU 2 HD13 LEU 2 7.580 -0.920 5.755 22 1HD2 LEU 2 HD21 LEU 2 10.082 -3.887 4.406 23 2HD2 LEU 2 HD22 LEU 2 8.380 -4.044 3.972 24 3HD2 LEU 2 HD23 LEU 2 8.849 -3.910 5.667 25 H GLY 3 HN GLY 3 6.054 -1.483 2.062 26 1HA GLY 3 HA2 GLY 3 5.370 -3.581 0.051 27 2HA GLY 3 HA1 GLY 3 4.224 -2.864 1.181 28 H LYS 4 HN LYS 4 6.444 -1.824 -1.408 29 HA LYS 4 HA LYS 4 5.395 0.670 -2.042 30 1HB LYS 4 HB2 LYS 4 6.905 -1.454 -3.312 31 2HB LYS 4 HB1 LYS 4 5.870 -0.648 -4.491 32 1HG LYS 4 HG2 LYS 4 7.068 1.277 -4.402 33 2HG LYS 4 HG1 LYS 4 7.226 1.200 -2.647 34 1HD LYS 4 HD2 LYS 4 9.083 -0.285 -2.775 35 2HD LYS 4 HD1 LYS 4 8.786 -0.628 -4.480 36 1HE LYS 4 HE2 LYS 4 10.621 0.920 -4.447 37 2HE LYS 4 HE1 LYS 4 9.201 1.893 -4.878 38 1HZ LYS 4 HZ1 LYS 4 9.792 1.466 -2.040 39 2HZ LYS 4 HZ2 LYS 4 9.058 2.796 -2.802 40 3HZ LYS 4 HZ3 LYS 4 10.742 2.588 -2.886 41 H ILE 5 HN ILE 5 3.888 -2.453 -2.507 42 HA ILE 5 HA ILE 5 1.727 -1.226 -4.165 43 HB ILE 5 HB ILE 5 3.001 -3.329 -4.828 44 1HG1 ILE 5 HG12 ILE 5 0.772 -4.625 -5.244 45 2HG1 ILE 5 HG11 ILE 5 0.008 -3.222 -4.498 46 1HG2 ILE 5 HG21 ILE 5 3.126 -5.068 -3.400 47 2HG2 ILE 5 HG22 ILE 5 1.376 -5.078 -3.182 48 3HG2 ILE 5 HG23 ILE 5 2.384 -4.038 -2.176 49 1HD1 ILE 5 HD11 ILE 5 0.154 -3.029 -6.985 50 2HD1 ILE 5 HD12 ILE 5 1.912 -3.087 -6.854 51 3HD1 ILE 5 HD13 ILE 5 1.019 -1.739 -6.149 52 H TRP 6 HN TRP 6 2.413 -1.822 -0.950 53 HA TRP 6 HA TRP 6 -0.360 -2.609 -0.216 54 1HB TRP 6 HB2 TRP 6 2.352 -2.718 0.935 55 2HB TRP 6 HB1 TRP 6 1.093 -2.310 2.100 56 HD1 TRP 6 HD1 TRP 6 2.745 -5.213 0.791 57 HE1 TRP 6 HE1 TRP 6 1.299 -7.336 1.010 58 HE3 TRP 6 HE3 TRP 6 -1.801 -3.090 1.743 59 HZ2 TRP 6 HZ2 TRP 6 -1.427 -8.040 1.521 60 HZ3 TRP 6 HZ3 TRP 6 -3.803 -4.508 2.091 61 HH2 TRP 6 HH2 TRP 6 -3.622 -6.978 1.982 62 H LYS 7 HN LYS 7 1.906 0.093 0.028 63 HA LYS 7 HA LYS 7 0.562 1.735 1.894 64 1HB LYS 7 HB2 LYS 7 2.768 1.875 0.279 65 2HB LYS 7 HB1 LYS 7 1.707 3.053 -0.494 66 1HG LYS 7 HG2 LYS 7 1.489 3.456 2.310 67 2HG LYS 7 HG1 LYS 7 3.209 3.334 1.937 68 1HD LYS 7 HD2 LYS 7 2.421 5.666 1.731 69 2HD LYS 7 HD1 LYS 7 2.954 5.036 0.172 70 1HE LYS 7 HE2 LYS 7 0.686 4.681 -0.558 71 2HE LYS 7 HE1 LYS 7 0.053 4.999 1.069 72 1HZ LYS 7 HZ1 LYS 7 -0.104 6.986 -0.292 73 2HZ LYS 7 HZ2 LYS 7 1.561 6.924 -0.624 74 3HZ LYS 7 HZ3 LYS 7 1.017 7.225 0.957 75 HA PRO 8 HA PRO 8 -2.213 3.180 -1.584 76 1HB PRO 8 HB2 PRO 8 -2.145 1.967 -4.033 77 2HB PRO 8 HB1 PRO 8 -1.051 3.291 -3.583 78 1HG PRO 8 HG2 PRO 8 -0.542 0.366 -3.682 79 2HG PRO 8 HG1 PRO 8 0.521 1.715 -4.111 80 1HD PRO 8 HD2 PRO 8 0.701 0.319 -1.770 81 2HD PRO 8 HD1 PRO 8 1.238 2.000 -1.965 82 H ILE 9 HN ILE 9 -1.694 -0.333 -1.819 83 HA ILE 9 HA ILE 9 -4.437 -1.026 -2.382 84 HB ILE 9 HB ILE 9 -1.995 -2.434 -1.294 85 1HG1 ILE 9 HG12 ILE 9 -3.575 -2.530 -3.881 86 2HG1 ILE 9 HG11 ILE 9 -1.931 -1.933 -3.658 87 1HG2 ILE 9 HG21 ILE 9 -3.254 -4.555 -1.474 88 2HG2 ILE 9 HG22 ILE 9 -4.720 -3.650 -1.851 89 3HG2 ILE 9 HG23 ILE 9 -3.971 -3.492 -0.262 90 1HD1 ILE 9 HD11 ILE 9 -1.672 -4.124 -4.548 91 2HD1 ILE 9 HD12 ILE 9 -2.916 -4.784 -3.487 92 3HD1 ILE 9 HD13 ILE 9 -1.358 -4.292 -2.821 93 H LYS 10 HN LYS 10 -2.675 -0.282 0.559 94 HA LYS 10 HA LYS 10 -4.570 -1.471 2.408 95 1HB LYS 10 HB2 LYS 10 -2.104 -0.833 2.733 96 2HB LYS 10 HB1 LYS 10 -2.667 0.830 2.898 97 1HG LYS 10 HG2 LYS 10 -3.701 -1.475 4.572 98 2HG LYS 10 HG1 LYS 10 -2.423 -0.376 5.093 99 1HD LYS 10 HD2 LYS 10 -4.355 1.385 4.261 100 2HD LYS 10 HD1 LYS 10 -5.331 0.075 4.926 101 1HE LYS 10 HE2 LYS 10 -2.959 1.039 6.500 102 2HE LYS 10 HE1 LYS 10 -4.463 1.983 6.534 103 1HZ LYS 10 HZ1 LYS 10 -5.646 0.259 7.427 104 2HZ LYS 10 HZ2 LYS 10 -4.135 -0.036 8.147 105 3HZ LYS 10 HZ3 LYS 10 -4.623 -0.935 6.790 106 H LYS 11 HN LYS 11 -4.283 1.638 0.785 107 HA LYS 11 HA LYS 11 -6.432 2.841 2.432 108 1HB LYS 11 HB2 LYS 11 -4.300 3.674 0.581 109 2HB LYS 11 HB1 LYS 11 -5.800 4.581 0.383 110 1HG LYS 11 HG2 LYS 11 -5.800 4.895 2.911 111 2HG LYS 11 HG1 LYS 11 -4.154 4.261 2.901 112 1HD LYS 11 HD2 LYS 11 -3.490 6.386 2.507 113 2HD LYS 11 HD1 LYS 11 -4.117 6.158 0.874 114 1HE LYS 11 HE2 LYS 11 -6.388 6.905 1.755 115 2HE LYS 11 HE1 LYS 11 -5.553 7.388 3.245 116 1HZ LYS 11 HZ1 LYS 11 -4.088 8.781 1.998 117 2HZ LYS 11 HZ2 LYS 11 -5.677 9.185 1.555 118 3HZ LYS 11 HZ3 LYS 11 -4.720 8.235 0.523 119 H LEU 12 HN LEU 12 -5.862 1.758 -0.914 120 HA LEU 12 HA LEU 12 -8.279 2.620 -2.106 121 1HB LEU 12 HB2 LEU 12 -6.148 0.642 -2.544 122 2HB LEU 12 HB1 LEU 12 -7.689 0.174 -3.263 123 HG LEU 12 HG LEU 12 -7.370 2.931 -3.809 124 1HD1 LEU 12 HD11 LEU 12 -4.834 1.332 -4.027 125 2HD1 LEU 12 HD12 LEU 12 -5.054 3.003 -3.506 126 3HD1 LEU 12 HD13 LEU 12 -5.177 2.588 -5.216 127 1HD2 LEU 12 HD21 LEU 12 -6.828 1.733 -6.171 128 2HD2 LEU 12 HD22 LEU 12 -8.451 1.787 -5.483 129 3HD2 LEU 12 HD23 LEU 12 -7.455 0.346 -5.281 130 H PHE 13 HN PHE 13 -7.672 0.007 0.146 131 HA PHE 13 HA PHE 13 -9.888 -1.685 -0.313 132 1HB PHE 13 HB2 PHE 13 -8.139 -0.897 1.974 133 2HB PHE 13 HB1 PHE 13 -9.603 -1.802 2.360 134 HD1 PHE 13 HD1 PHE 13 -7.881 -2.161 -0.875 135 HD2 PHE 13 HD2 PHE 13 -8.406 -3.817 3.054 136 HE1 PHE 13 HE1 PHE 13 -6.782 -4.258 -1.612 137 HE2 PHE 13 HE2 PHE 13 -7.307 -5.914 2.316 138 HZ PHE 13 HZ PHE 13 -6.495 -6.135 -0.017 139 1HN NH2 14 HN1 NH2 14 -11.731 -0.227 -0.888 140 2HN NH2 14 HN2 NH2 14 -12.578 0.603 0.326 Start of MODEL 12 1 1H ILE 1 HT1 ILE 1 10.237 2.248 -1.489 2 2H ILE 1 HT2 ILE 1 9.419 0.779 -1.246 3 3H ILE 1 HT3 ILE 1 11.045 0.778 -1.737 4 HA ILE 1 HA ILE 1 11.334 0.373 0.488 5 HB ILE 1 HB ILE 1 11.182 3.338 -0.077 6 1HG1 ILE 1 HG12 ILE 1 13.716 2.988 0.107 7 2HG1 ILE 1 HG11 ILE 1 13.372 1.258 0.106 8 1HG2 ILE 1 HG21 ILE 1 12.593 3.578 2.018 9 2HG2 ILE 1 HG22 ILE 1 12.120 1.931 2.436 10 3HG2 ILE 1 HG23 ILE 1 10.896 3.195 2.307 11 1HD1 ILE 1 HD11 ILE 1 13.756 2.738 -2.160 12 2HD1 ILE 1 HD12 ILE 1 12.000 2.790 -2.014 13 3HD1 ILE 1 HD13 ILE 1 12.830 1.237 -2.105 14 H LEU 2 HN LEU 2 8.910 3.018 0.308 15 HA LEU 2 HA LEU 2 7.788 2.936 2.826 16 1HB LEU 2 HB2 LEU 2 6.714 3.293 0.048 17 2HB LEU 2 HB1 LEU 2 5.575 3.276 1.395 18 HG LEU 2 HG LEU 2 7.371 4.952 2.446 19 1HD1 LEU 2 HD11 LEU 2 8.185 6.466 0.608 20 2HD1 LEU 2 HD12 LEU 2 7.668 5.246 -0.557 21 3HD1 LEU 2 HD13 LEU 2 8.944 4.874 0.602 22 1HD2 LEU 2 HD21 LEU 2 5.399 5.848 0.322 23 2HD2 LEU 2 HD22 LEU 2 5.947 6.774 1.719 24 3HD2 LEU 2 HD23 LEU 2 4.930 5.352 1.948 25 H GLY 3 HN GLY 3 5.691 1.391 0.478 26 1HA GLY 3 HA2 GLY 3 5.970 -1.283 1.609 27 2HA GLY 3 HA1 GLY 3 4.499 -0.468 2.140 28 H LYS 4 HN LYS 4 6.156 -1.868 -0.611 29 HA LYS 4 HA LYS 4 4.056 -1.162 -2.528 30 1HB LYS 4 HB2 LYS 4 6.709 -2.283 -2.469 31 2HB LYS 4 HB1 LYS 4 5.656 -3.344 -3.405 32 1HG LYS 4 HG2 LYS 4 4.926 -0.773 -4.213 33 2HG LYS 4 HG1 LYS 4 6.684 -0.704 -4.085 34 1HD LYS 4 HD2 LYS 4 6.780 -2.837 -5.434 35 2HD LYS 4 HD1 LYS 4 5.045 -2.672 -5.702 36 1HE LYS 4 HE2 LYS 4 5.344 -1.049 -7.270 37 2HE LYS 4 HE1 LYS 4 6.544 -0.203 -6.273 38 1HZ LYS 4 HZ1 LYS 4 7.110 -2.783 -7.617 39 2HZ LYS 4 HZ2 LYS 4 8.220 -1.711 -6.906 40 3HZ LYS 4 HZ3 LYS 4 7.433 -1.289 -8.351 41 H ILE 5 HN ILE 5 2.837 -2.371 -0.320 42 HA ILE 5 HA ILE 5 1.713 -4.811 -1.557 43 HB ILE 5 HB ILE 5 2.833 -4.800 1.260 44 1HG1 ILE 5 HG12 ILE 5 4.059 -5.797 -1.330 45 2HG1 ILE 5 HG11 ILE 5 4.707 -4.549 -0.264 46 1HG2 ILE 5 HG21 ILE 5 0.955 -6.408 0.459 47 2HG2 ILE 5 HG22 ILE 5 2.358 -7.109 1.265 48 3HG2 ILE 5 HG23 ILE 5 2.225 -7.177 -0.492 49 1HD1 ILE 5 HD11 ILE 5 5.178 -6.124 1.461 50 2HD1 ILE 5 HD12 ILE 5 5.740 -6.882 -0.029 51 3HD1 ILE 5 HD13 ILE 5 4.205 -7.374 0.687 52 H TRP 6 HN TRP 6 1.678 -2.464 1.138 53 HA TRP 6 HA TRP 6 -1.302 -2.598 1.083 54 1HB TRP 6 HB2 TRP 6 0.019 -4.105 2.838 55 2HB TRP 6 HB1 TRP 6 0.101 -2.583 3.725 56 HD1 TRP 6 HD1 TRP 6 -1.815 -2.345 5.355 57 HE1 TRP 6 HE1 TRP 6 -4.301 -3.026 5.412 58 HE3 TRP 6 HE3 TRP 6 -2.189 -4.702 0.841 59 HZ2 TRP 6 HZ2 TRP 6 -6.196 -4.390 3.761 60 HZ3 TRP 6 HZ3 TRP 6 -4.343 -5.683 0.109 61 HH2 TRP 6 HH2 TRP 6 -6.345 -5.531 1.562 62 H LYS 7 HN LYS 7 1.620 -0.956 2.252 63 HA LYS 7 HA LYS 7 0.663 1.322 3.475 64 1HB LYS 7 HB2 LYS 7 2.963 0.532 1.869 65 2HB LYS 7 HB1 LYS 7 2.613 2.252 1.696 66 1HG LYS 7 HG2 LYS 7 4.158 1.764 3.602 67 2HG LYS 7 HG1 LYS 7 2.666 2.554 4.112 68 1HD LYS 7 HD2 LYS 7 1.936 -0.076 4.257 69 2HD LYS 7 HD1 LYS 7 3.643 -0.173 4.689 70 1HE LYS 7 HE2 LYS 7 3.311 1.552 6.431 71 2HE LYS 7 HE1 LYS 7 1.590 1.644 6.004 72 1HZ LYS 7 HZ1 LYS 7 1.531 0.044 7.624 73 2HZ LYS 7 HZ2 LYS 7 3.078 -0.557 7.257 74 3HZ LYS 7 HZ3 LYS 7 1.757 -0.934 6.257 75 HA PRO 8 HA PRO 8 -1.033 3.064 -0.415 76 1HB PRO 8 HB2 PRO 8 -0.466 1.995 -2.866 77 2HB PRO 8 HB1 PRO 8 0.681 3.013 -1.971 78 1HG PRO 8 HG2 PRO 8 0.590 0.053 -2.240 79 2HG PRO 8 HG1 PRO 8 1.984 1.144 -2.221 80 1HD PRO 8 HD2 PRO 8 1.214 -0.339 -0.073 81 2HD PRO 8 HD1 PRO 8 2.067 1.213 0.056 82 H ILE 9 HN ILE 9 -1.089 -0.347 -1.538 83 HA ILE 9 HA ILE 9 -3.560 -0.473 -2.769 84 HB ILE 9 HB ILE 9 -2.141 -2.382 -0.897 85 1HG1 ILE 9 HG12 ILE 9 -2.459 -2.925 -3.791 86 2HG1 ILE 9 HG11 ILE 9 -1.473 -1.515 -3.399 87 1HG2 ILE 9 HG21 ILE 9 -3.609 -4.139 -1.977 88 2HG2 ILE 9 HG22 ILE 9 -4.603 -2.826 -2.607 89 3HG2 ILE 9 HG23 ILE 9 -4.454 -3.062 -0.866 90 1HD1 ILE 9 HD11 ILE 9 -0.151 -3.645 -3.545 91 2HD1 ILE 9 HD12 ILE 9 -1.073 -4.258 -2.173 92 3HD1 ILE 9 HD13 ILE 9 -0.030 -2.850 -1.975 93 H LYS 10 HN LYS 10 -2.935 -0.079 0.661 94 HA LYS 10 HA LYS 10 -5.461 -0.867 1.716 95 1HB LYS 10 HB2 LYS 10 -3.196 -0.218 2.819 96 2HB LYS 10 HB1 LYS 10 -3.805 1.435 2.739 97 1HG LYS 10 HG2 LYS 10 -5.138 -0.909 4.125 98 2HG LYS 10 HG1 LYS 10 -4.386 0.483 4.906 99 1HD LYS 10 HD2 LYS 10 -6.072 1.846 3.393 100 2HD LYS 10 HD1 LYS 10 -6.968 0.325 3.392 101 1HE LYS 10 HE2 LYS 10 -6.891 0.311 5.892 102 2HE LYS 10 HE1 LYS 10 -6.108 1.903 5.843 103 1HZ LYS 10 HZ1 LYS 10 -8.796 1.157 4.850 104 2HZ LYS 10 HZ2 LYS 10 -8.010 2.573 4.335 105 3HZ LYS 10 HZ3 LYS 10 -8.393 2.360 5.976 106 H LYS 11 HN LYS 11 -4.354 2.219 0.354 107 HA LYS 11 HA LYS 11 -6.823 3.641 0.968 108 1HB LYS 11 HB2 LYS 11 -4.553 4.203 -0.969 109 2HB LYS 11 HB1 LYS 11 -5.752 5.379 -0.430 110 1HG LYS 11 HG2 LYS 11 -4.276 3.901 1.692 111 2HG LYS 11 HG1 LYS 11 -3.367 5.108 0.782 112 1HD LYS 11 HD2 LYS 11 -5.146 6.779 1.274 113 2HD LYS 11 HD1 LYS 11 -5.976 5.571 2.256 114 1HE LYS 11 HE2 LYS 11 -4.736 6.518 3.950 115 2HE LYS 11 HE1 LYS 11 -3.465 5.446 3.329 116 1HZ LYS 11 HZ1 LYS 11 -2.468 7.516 3.208 117 2HZ LYS 11 HZ2 LYS 11 -3.906 8.309 2.773 118 3HZ LYS 11 HZ3 LYS 11 -3.092 7.338 1.641 119 H LEU 12 HN LEU 12 -5.421 2.226 -2.009 120 HA LEU 12 HA LEU 12 -7.760 2.878 -3.624 121 1HB LEU 12 HB2 LEU 12 -5.474 0.941 -4.105 122 2HB LEU 12 HB1 LEU 12 -6.501 1.683 -5.331 123 HG LEU 12 HG LEU 12 -4.808 3.303 -3.419 124 1HD1 LEU 12 HD11 LEU 12 -3.102 2.284 -4.595 125 2HD1 LEU 12 HD12 LEU 12 -3.494 3.575 -5.732 126 3HD1 LEU 12 HD13 LEU 12 -4.124 1.948 -5.993 127 1HD2 LEU 12 HD21 LEU 12 -5.273 5.117 -4.915 128 2HD2 LEU 12 HD22 LEU 12 -6.818 4.313 -4.634 129 3HD2 LEU 12 HD23 LEU 12 -5.936 4.028 -6.134 130 H PHE 13 HN PHE 13 -6.808 0.225 -1.569 131 HA PHE 13 HA PHE 13 -9.056 -1.436 -2.655 132 1HB PHE 13 HB2 PHE 13 -6.407 -2.027 -2.332 133 2HB PHE 13 HB1 PHE 13 -7.065 -2.604 -0.800 134 HD1 PHE 13 HD1 PHE 13 -6.499 -3.431 -4.196 135 HD2 PHE 13 HD2 PHE 13 -9.299 -4.010 -0.990 136 HE1 PHE 13 HE1 PHE 13 -7.386 -5.447 -5.335 137 HE2 PHE 13 HE2 PHE 13 -10.186 -6.027 -2.130 138 HZ PHE 13 HZ PHE 13 -9.229 -6.745 -4.302 139 1HN NH2 14 HN1 NH2 14 -10.234 0.352 -1.090 140 2HN NH2 14 HN2 NH2 14 -10.478 -0.184 0.502 Start of MODEL 13 1 1H ILE 1 HT1 ILE 1 -12.679 1.095 -1.503 2 2H ILE 1 HT2 ILE 1 -12.094 1.847 -0.097 3 3H ILE 1 HT3 ILE 1 -13.312 0.668 0.011 4 HA ILE 1 HA ILE 1 -11.572 -0.672 0.543 5 HB ILE 1 HB ILE 1 -12.608 -1.378 -1.609 6 1HG1 ILE 1 HG12 ILE 1 -9.720 -1.951 -2.042 7 2HG1 ILE 1 HG11 ILE 1 -10.369 -2.365 -0.455 8 1HG2 ILE 1 HG21 ILE 1 -11.165 0.830 -2.606 9 2HG2 ILE 1 HG22 ILE 1 -12.139 -0.308 -3.536 10 3HG2 ILE 1 HG23 ILE 1 -10.411 -0.593 -3.325 11 1HD1 ILE 1 HD11 ILE 1 -11.747 -3.186 -3.016 12 2HD1 ILE 1 HD12 ILE 1 -12.011 -3.816 -1.390 13 3HD1 ILE 1 HD13 ILE 1 -10.516 -4.189 -2.248 14 H LEU 2 HN LEU 2 -10.663 2.164 -1.264 15 HA LEU 2 HA LEU 2 -8.615 3.341 -1.363 16 1HB LEU 2 HB2 LEU 2 -8.624 1.720 1.131 17 2HB LEU 2 HB1 LEU 2 -7.065 2.380 0.638 18 HG LEU 2 HG LEU 2 -8.782 4.515 0.252 19 1HD1 LEU 2 HD11 LEU 2 -10.488 3.055 1.511 20 2HD1 LEU 2 HD12 LEU 2 -10.233 4.688 2.126 21 3HD1 LEU 2 HD13 LEU 2 -9.481 3.312 2.935 22 1HD2 LEU 2 HD21 LEU 2 -6.521 3.837 1.792 23 2HD2 LEU 2 HD22 LEU 2 -7.678 4.521 2.934 24 3HD2 LEU 2 HD23 LEU 2 -7.172 5.454 1.525 25 H GLY 3 HN GLY 3 -7.122 0.431 -0.058 26 1HA GLY 3 HA2 GLY 3 -6.474 -1.089 -2.254 27 2HA GLY 3 HA1 GLY 3 -5.347 0.263 -2.375 28 H LYS 4 HN LYS 4 -5.967 -2.730 -0.842 29 HA LYS 4 HA LYS 4 -4.177 -2.288 1.447 30 1HB LYS 4 HB2 LYS 4 -5.416 -4.794 0.260 31 2HB LYS 4 HB1 LYS 4 -4.696 -4.661 1.865 32 1HG LYS 4 HG2 LYS 4 -7.058 -3.018 0.908 33 2HG LYS 4 HG1 LYS 4 -7.189 -4.470 1.902 34 1HD LYS 4 HD2 LYS 4 -5.590 -3.300 3.537 35 2HD LYS 4 HD1 LYS 4 -5.919 -1.826 2.625 36 1HE LYS 4 HE2 LYS 4 -8.440 -3.045 3.122 37 2HE LYS 4 HE1 LYS 4 -7.547 -3.048 4.656 38 1HZ LYS 4 HZ1 LYS 4 -6.980 -0.726 4.290 39 2HZ LYS 4 HZ2 LYS 4 -8.666 -0.927 4.314 40 3HZ LYS 4 HZ3 LYS 4 -7.854 -0.717 2.837 41 H ILE 5 HN ILE 5 -3.462 -2.401 -1.698 42 HA ILE 5 HA ILE 5 -1.007 -4.078 -1.289 43 HB ILE 5 HB ILE 5 -2.676 -3.597 -3.780 44 1HG1 ILE 5 HG12 ILE 5 -2.371 -5.945 -1.890 45 2HG1 ILE 5 HG11 ILE 5 -3.853 -5.087 -2.314 46 1HG2 ILE 5 HG21 ILE 5 -0.193 -5.268 -3.289 47 2HG2 ILE 5 HG22 ILE 5 -0.339 -3.886 -4.374 48 3HG2 ILE 5 HG23 ILE 5 -1.193 -5.386 -4.737 49 1HD1 ILE 5 HD11 ILE 5 -2.424 -7.213 -3.781 50 2HD1 ILE 5 HD12 ILE 5 -2.968 -5.867 -4.783 51 3HD1 ILE 5 HD13 ILE 5 -4.132 -6.773 -3.816 52 H TRP 6 HN TRP 6 -2.323 -1.003 -2.166 53 HA TRP 6 HA TRP 6 0.253 -0.120 -3.386 54 1HB TRP 6 HB2 TRP 6 -1.694 0.442 -4.661 55 2HB TRP 6 HB1 TRP 6 -2.562 0.985 -3.225 56 HD1 TRP 6 HD1 TRP 6 -2.869 3.496 -3.616 57 HE1 TRP 6 HE1 TRP 6 -1.286 5.475 -4.086 58 HE3 TRP 6 HE3 TRP 6 1.505 0.968 -4.361 59 HZ2 TRP 6 HZ2 TRP 6 1.472 5.927 -4.698 60 HZ3 TRP 6 HZ3 TRP 6 3.592 2.196 -4.886 61 HH2 TRP 6 HH2 TRP 6 3.582 4.670 -5.055 62 H LYS 7 HN LYS 7 -1.727 0.191 -0.526 63 HA LYS 7 HA LYS 7 -0.410 2.595 0.487 64 1HB LYS 7 HB2 LYS 7 -2.659 2.167 1.152 65 2HB LYS 7 HB1 LYS 7 -2.292 0.496 1.581 66 1HG LYS 7 HG2 LYS 7 -0.568 2.273 3.058 67 2HG LYS 7 HG1 LYS 7 -2.250 2.752 3.288 68 1HD LYS 7 HD2 LYS 7 -2.792 0.820 4.389 69 2HD LYS 7 HD1 LYS 7 -1.702 -0.163 3.409 70 1HE LYS 7 HE2 LYS 7 -0.271 1.780 5.084 71 2HE LYS 7 HE1 LYS 7 -1.207 0.600 6.023 72 1HZ LYS 7 HZ1 LYS 7 -0.016 -1.128 5.227 73 2HZ LYS 7 HZ2 LYS 7 1.183 0.053 4.991 74 3HZ LYS 7 HZ3 LYS 7 0.197 -0.431 3.695 75 HA PRO 8 HA PRO 8 1.998 -0.578 2.940 76 1HB PRO 8 HB2 PRO 8 1.931 -3.224 2.258 77 2HB PRO 8 HB1 PRO 8 0.751 -2.479 3.355 78 1HG PRO 8 HG2 PRO 8 0.485 -3.180 0.482 79 2HG PRO 8 HG1 PRO 8 -0.705 -3.287 1.787 80 1HD PRO 8 HD2 PRO 8 -0.664 -1.293 -0.077 81 2HD PRO 8 HD1 PRO 8 -1.350 -1.114 1.551 82 H ILE 9 HN ILE 9 1.796 -1.432 -0.508 83 HA ILE 9 HA ILE 9 4.436 -2.387 -0.906 84 HB ILE 9 HB ILE 9 2.329 -1.002 -2.542 85 1HG1 ILE 9 HG12 ILE 9 3.738 -3.687 -2.683 86 2HG1 ILE 9 HG11 ILE 9 2.113 -3.393 -2.063 87 1HG2 ILE 9 HG21 ILE 9 3.829 -1.403 -4.560 88 2HG2 ILE 9 HG22 ILE 9 5.165 -1.601 -3.426 89 3HG2 ILE 9 HG23 ILE 9 4.312 -0.060 -3.522 90 1HD1 ILE 9 HD11 ILE 9 3.097 -3.365 -4.890 91 2HD1 ILE 9 HD12 ILE 9 1.761 -2.298 -4.455 92 3HD1 ILE 9 HD13 ILE 9 1.607 -4.041 -4.231 93 H LYS 10 HN LYS 10 3.240 0.958 -1.457 94 HA LYS 10 HA LYS 10 5.757 2.172 -1.914 95 1HB LYS 10 HB2 LYS 10 3.433 3.111 -2.239 96 2HB LYS 10 HB1 LYS 10 3.349 3.351 -0.493 97 1HG LYS 10 HG2 LYS 10 5.600 4.480 -2.163 98 2HG LYS 10 HG1 LYS 10 4.106 5.371 -1.875 99 1HD LYS 10 HD2 LYS 10 4.796 4.485 0.657 100 2HD LYS 10 HD1 LYS 10 6.356 4.880 -0.064 101 1HE LYS 10 HE2 LYS 10 5.724 6.970 0.776 102 2HE LYS 10 HE1 LYS 10 5.043 7.064 -0.860 103 1HZ LYS 10 HZ1 LYS 10 2.939 6.526 -0.116 104 2HZ LYS 10 HZ2 LYS 10 3.504 7.506 1.151 105 3HZ LYS 10 HZ3 LYS 10 3.500 5.815 1.318 106 H LYS 11 HN LYS 11 4.224 1.151 1.070 107 HA LYS 11 HA LYS 11 5.850 2.710 2.886 108 1HB LYS 11 HB2 LYS 11 3.671 0.905 2.931 109 2HB LYS 11 HB1 LYS 11 4.918 0.188 3.951 110 1HG LYS 11 HG2 LYS 11 4.853 2.981 4.515 111 2HG LYS 11 HG1 LYS 11 3.191 2.392 4.552 112 1HD LYS 11 HD2 LYS 11 4.467 0.382 5.880 113 2HD LYS 11 HD1 LYS 11 5.452 1.767 6.354 114 1HE LYS 11 HE2 LYS 11 3.102 2.914 6.771 115 2HE LYS 11 HE1 LYS 11 2.551 1.233 6.915 116 1HZ LYS 11 HZ1 LYS 11 5.026 2.113 8.254 117 2HZ LYS 11 HZ2 LYS 11 4.014 0.802 8.633 118 3HZ LYS 11 HZ3 LYS 11 3.523 2.389 8.990 119 H LEU 12 HN LEU 12 6.023 -0.693 1.776 120 HA LEU 12 HA LEU 12 8.668 -1.018 3.067 121 1HB LEU 12 HB2 LEU 12 6.621 -2.746 1.699 122 2HB LEU 12 HB1 LEU 12 8.258 -3.360 1.934 123 HG LEU 12 HG LEU 12 6.595 -2.190 4.177 124 1HD1 LEU 12 HD11 LEU 12 7.085 -5.128 3.895 125 2HD1 LEU 12 HD12 LEU 12 5.800 -4.403 2.929 126 3HD1 LEU 12 HD13 LEU 12 5.755 -4.286 4.688 127 1HD2 LEU 12 HD21 LEU 12 8.684 -4.185 4.724 128 2HD2 LEU 12 HD22 LEU 12 8.393 -2.626 5.495 129 3HD2 LEU 12 HD23 LEU 12 9.304 -2.708 3.987 130 H PHE 13 HN PHE 13 7.837 0.540 0.384 131 HA PHE 13 HA PHE 13 9.528 -0.780 -1.615 132 1HB PHE 13 HB2 PHE 13 7.386 0.902 -1.657 133 2HB PHE 13 HB1 PHE 13 8.699 2.052 -1.915 134 HD1 PHE 13 HD1 PHE 13 9.733 2.246 -4.026 135 HD2 PHE 13 HD2 PHE 13 7.319 -1.197 -3.145 136 HE1 PHE 13 HE1 PHE 13 9.911 1.516 -6.389 137 HE2 PHE 13 HE2 PHE 13 7.497 -1.926 -5.509 138 HZ PHE 13 HZ PHE 13 8.793 -0.570 -7.131 139 1HN NH2 14 HN1 NH2 14 9.804 2.129 0.486 140 2HN NH2 14 HN2 NH2 14 11.465 2.360 0.226 Start of MODEL 14 1 1H ILE 1 HT1 ILE 1 -9.847 2.733 3.211 2 2H ILE 1 HT2 ILE 1 -10.755 1.438 3.832 3 3H ILE 1 HT3 ILE 1 -11.264 2.237 2.421 4 HA ILE 1 HA ILE 1 -9.136 0.246 2.768 5 HB ILE 1 HB ILE 1 -11.352 0.972 0.842 6 1HG1 ILE 1 HG12 ILE 1 -11.980 -1.443 1.451 7 2HG1 ILE 1 HG11 ILE 1 -10.756 -1.327 2.716 8 1HG2 ILE 1 HG21 ILE 1 -10.600 -1.240 -0.290 9 2HG2 ILE 1 HG22 ILE 1 -9.052 -0.950 0.505 10 3HG2 ILE 1 HG23 ILE 1 -9.684 0.224 -0.650 11 1HD1 ILE 1 HD11 ILE 1 -12.027 0.064 3.994 12 2HD1 ILE 1 HD12 ILE 1 -13.365 -0.581 3.044 13 3HD1 ILE 1 HD13 ILE 1 -12.626 0.956 2.596 14 H LEU 2 HN LEU 2 -10.074 2.681 0.301 15 HA LEU 2 HA LEU 2 -8.723 3.875 -1.231 16 1HB LEU 2 HB2 LEU 2 -7.038 3.764 1.290 17 2HB LEU 2 HB1 LEU 2 -6.690 4.828 -0.074 18 HG LEU 2 HG LEU 2 -9.485 4.963 0.810 19 1HD1 LEU 2 HD11 LEU 2 -7.263 5.253 2.757 20 2HD1 LEU 2 HD12 LEU 2 -8.964 4.879 3.037 21 3HD1 LEU 2 HD13 LEU 2 -8.462 6.547 2.757 22 1HD2 LEU 2 HD21 LEU 2 -8.181 7.450 1.011 23 2HD2 LEU 2 HD22 LEU 2 -9.138 6.866 -0.351 24 3HD2 LEU 2 HD23 LEU 2 -7.392 6.618 -0.329 25 H GLY 3 HN GLY 3 -5.883 2.590 0.374 26 1HA GLY 3 HA2 GLY 3 -5.388 0.855 -2.015 27 2HA GLY 3 HA1 GLY 3 -4.112 1.804 -1.258 28 H LYS 4 HN LYS 4 -6.495 -0.724 -0.474 29 HA LYS 4 HA LYS 4 -5.296 -1.590 1.968 30 1HB LYS 4 HB2 LYS 4 -7.383 -2.343 0.129 31 2HB LYS 4 HB1 LYS 4 -6.491 -3.785 0.616 32 1HG LYS 4 HG2 LYS 4 -7.226 -1.813 2.739 33 2HG LYS 4 HG1 LYS 4 -8.502 -2.846 2.092 34 1HD LYS 4 HD2 LYS 4 -6.055 -4.343 2.631 35 2HD LYS 4 HD1 LYS 4 -6.678 -3.551 4.079 36 1HE LYS 4 HE2 LYS 4 -8.039 -5.393 4.205 37 2HE LYS 4 HE1 LYS 4 -8.988 -4.551 2.964 38 1HZ LYS 4 HZ1 LYS 4 -7.079 -6.746 2.666 39 2HZ LYS 4 HZ2 LYS 4 -7.115 -5.575 1.436 40 3HZ LYS 4 HZ3 LYS 4 -8.520 -6.448 1.824 41 H ILE 5 HN ILE 5 -4.190 -1.858 -1.259 42 HA ILE 5 HA ILE 5 -2.044 -3.733 -0.381 43 HB ILE 5 HB ILE 5 -3.905 -5.009 -1.441 44 1HG1 ILE 5 HG12 ILE 5 -1.634 -4.928 -3.418 45 2HG1 ILE 5 HG11 ILE 5 -1.352 -5.479 -1.766 46 1HG2 ILE 5 HG21 ILE 5 -4.963 -4.215 -3.263 47 2HG2 ILE 5 HG22 ILE 5 -3.444 -4.127 -4.154 48 3HG2 ILE 5 HG23 ILE 5 -3.961 -2.767 -3.158 49 1HD1 ILE 5 HD11 ILE 5 -2.658 -6.865 -3.966 50 2HD1 ILE 5 HD12 ILE 5 -3.698 -6.788 -2.543 51 3HD1 ILE 5 HD13 ILE 5 -2.091 -7.505 -2.423 52 H TRP 6 HN TRP 6 -1.948 -0.884 -0.828 53 HA TRP 6 HA TRP 6 0.048 -0.821 -3.028 54 1HB TRP 6 HB2 TRP 6 -2.255 -0.252 -3.896 55 2HB TRP 6 HB1 TRP 6 -2.265 1.126 -2.795 56 HD1 TRP 6 HD1 TRP 6 -1.777 3.221 -4.137 57 HE1 TRP 6 HE1 TRP 6 -0.090 3.895 -5.966 58 HE3 TRP 6 HE3 TRP 6 0.540 -1.266 -4.896 59 HZ2 TRP 6 HZ2 TRP 6 1.971 2.690 -7.542 60 HZ3 TRP 6 HZ3 TRP 6 2.360 -1.475 -6.565 61 HH2 TRP 6 HH2 TRP 6 3.077 0.496 -7.888 62 H LYS 7 HN LYS 7 -1.551 0.871 -0.351 63 HA LYS 7 HA LYS 7 0.302 3.030 -0.073 64 1HB LYS 7 HB2 LYS 7 -1.816 1.662 1.485 65 2HB LYS 7 HB1 LYS 7 -0.648 2.572 2.444 66 1HG LYS 7 HG2 LYS 7 -1.661 4.493 1.866 67 2HG LYS 7 HG1 LYS 7 -1.335 4.153 0.166 68 1HD LYS 7 HD2 LYS 7 -3.464 3.480 -0.227 69 2HD LYS 7 HD1 LYS 7 -3.546 2.567 1.280 70 1HE LYS 7 HE2 LYS 7 -3.594 5.584 1.341 71 2HE LYS 7 HE1 LYS 7 -5.083 4.662 1.049 72 1HZ LYS 7 HZ1 LYS 7 -3.206 4.136 3.291 73 2HZ LYS 7 HZ2 LYS 7 -4.718 3.406 3.034 74 3HZ LYS 7 HZ3 LYS 7 -4.625 5.053 3.442 75 HA PRO 8 HA PRO 8 2.601 0.264 3.021 76 1HB PRO 8 HB2 PRO 8 2.022 -2.407 3.117 77 2HB PRO 8 HB1 PRO 8 1.187 -1.202 4.117 78 1HG PRO 8 HG2 PRO 8 0.300 -2.517 1.602 79 2HG PRO 8 HG1 PRO 8 -0.633 -2.097 3.047 80 1HD PRO 8 HD2 PRO 8 -0.682 -0.633 0.752 81 2HD PRO 8 HD1 PRO 8 -0.975 0.056 2.362 82 H ILE 9 HN ILE 9 1.623 -1.431 0.049 83 HA ILE 9 HA ILE 9 4.101 -2.811 -0.407 84 HB ILE 9 HB ILE 9 1.759 -1.896 -2.078 85 1HG1 ILE 9 HG12 ILE 9 2.754 -4.700 -1.574 86 2HG1 ILE 9 HG11 ILE 9 1.753 -3.865 -0.386 87 1HG2 ILE 9 HG21 ILE 9 4.371 -3.064 -2.974 88 2HG2 ILE 9 HG22 ILE 9 3.344 -1.877 -3.778 89 3HG2 ILE 9 HG23 ILE 9 2.890 -3.581 -3.781 90 1HD1 ILE 9 HD11 ILE 9 -0.120 -4.077 -1.645 91 2HD1 ILE 9 HD12 ILE 9 0.782 -5.319 -2.515 92 3HD1 ILE 9 HD13 ILE 9 0.730 -3.669 -3.135 93 H LYS 10 HN LYS 10 3.166 0.511 -0.782 94 HA LYS 10 HA LYS 10 5.283 1.151 -2.727 95 1HB LYS 10 HB2 LYS 10 2.971 2.223 -2.504 96 2HB LYS 10 HB1 LYS 10 3.581 3.010 -1.049 97 1HG LYS 10 HG2 LYS 10 4.979 3.207 -3.725 98 2HG LYS 10 HG1 LYS 10 3.776 4.379 -3.186 99 1HD LYS 10 HD2 LYS 10 5.379 4.261 -0.987 100 2HD LYS 10 HD1 LYS 10 6.559 3.974 -2.266 101 1HE LYS 10 HE2 LYS 10 6.568 6.201 -2.682 102 2HE LYS 10 HE1 LYS 10 4.866 6.080 -3.168 103 1HZ LYS 10 HZ1 LYS 10 4.598 5.911 -0.549 104 2HZ LYS 10 HZ2 LYS 10 4.596 7.403 -1.362 105 3HZ LYS 10 HZ3 LYS 10 6.009 6.852 -0.595 106 H LYS 11 HN LYS 11 4.753 1.310 0.753 107 HA LYS 11 HA LYS 11 7.005 3.021 1.369 108 1HB LYS 11 HB2 LYS 11 4.888 1.538 2.683 109 2HB LYS 11 HB1 LYS 11 6.410 1.331 3.550 110 1HG LYS 11 HG2 LYS 11 5.812 4.091 2.643 111 2HG LYS 11 HG1 LYS 11 4.771 3.460 3.920 112 1HD LYS 11 HD2 LYS 11 6.734 2.900 5.278 113 2HD LYS 11 HD1 LYS 11 7.803 3.462 3.992 114 1HE LYS 11 HE2 LYS 11 7.642 5.583 4.764 115 2HE LYS 11 HE1 LYS 11 5.876 5.527 4.592 116 1HZ LYS 11 HZ1 LYS 11 6.689 5.806 6.931 117 2HZ LYS 11 HZ2 LYS 11 7.335 4.237 6.831 118 3HZ LYS 11 HZ3 LYS 11 5.659 4.480 6.690 119 H LEU 12 HN LEU 12 6.556 -0.501 1.905 120 HA LEU 12 HA LEU 12 9.236 -1.110 2.571 121 1HB LEU 12 HB2 LEU 12 6.769 -2.450 1.798 122 2HB LEU 12 HB1 LEU 12 8.185 -3.309 1.190 123 HG LEU 12 HG LEU 12 8.169 -2.333 4.028 124 1HD1 LEU 12 HD11 LEU 12 6.188 -3.511 4.230 125 2HD1 LEU 12 HD12 LEU 12 7.338 -4.835 4.419 126 3HD1 LEU 12 HD13 LEU 12 6.553 -4.564 2.863 127 1HD2 LEU 12 HD21 LEU 12 9.883 -3.863 4.295 128 2HD2 LEU 12 HD22 LEU 12 10.081 -3.516 2.577 129 3HD2 LEU 12 HD23 LEU 12 9.223 -4.969 3.090 130 H PHE 13 HN PHE 13 7.684 -1.684 -0.597 131 HA PHE 13 HA PHE 13 10.268 -1.995 -1.928 132 1HB PHE 13 HB2 PHE 13 7.490 -1.671 -3.097 133 2HB PHE 13 HB1 PHE 13 8.872 -2.475 -3.838 134 HD1 PHE 13 HD1 PHE 13 9.750 -3.694 -1.042 135 HD2 PHE 13 HD2 PHE 13 6.105 -3.712 -3.315 136 HE1 PHE 13 HE1 PHE 13 9.089 -5.828 0.035 137 HE2 PHE 13 HE2 PHE 13 5.444 -5.846 -2.238 138 HZ PHE 13 HZ PHE 13 6.936 -6.904 -0.563 139 1HN NH2 14 HN1 NH2 14 9.410 -0.564 -4.402 140 2HN NH2 14 HN2 NH2 14 9.626 1.092 -4.100 Start of MODEL 15 1 1H ILE 1 HT1 ILE 1 9.765 4.430 3.685 2 2H ILE 1 HT2 ILE 1 8.202 4.023 4.211 3 3H ILE 1 HT3 ILE 1 8.437 5.359 3.188 4 HA ILE 1 HA ILE 1 7.705 3.794 1.678 5 HB ILE 1 HB ILE 1 10.708 3.412 1.905 6 1HG1 ILE 1 HG12 ILE 1 9.099 5.597 0.544 7 2HG1 ILE 1 HG11 ILE 1 10.049 5.796 2.017 8 1HG2 ILE 1 HG21 ILE 1 10.673 2.926 -0.418 9 2HG2 ILE 1 HG22 ILE 1 9.022 3.521 -0.599 10 3HG2 ILE 1 HG23 ILE 1 9.325 2.004 0.248 11 1HD1 ILE 1 HD11 ILE 1 11.951 6.041 0.837 12 2HD1 ILE 1 HD12 ILE 1 10.964 6.088 -0.624 13 3HD1 ILE 1 HD13 ILE 1 11.641 4.558 -0.065 14 H LEU 2 HN LEU 2 6.600 2.222 3.165 15 HA LEU 2 HA LEU 2 8.135 -0.352 3.346 16 1HB LEU 2 HB2 LEU 2 6.071 0.788 5.260 17 2HB LEU 2 HB1 LEU 2 6.948 -0.728 5.468 18 HG LEU 2 HG LEU 2 8.628 1.667 4.990 19 1HD1 LEU 2 HD11 LEU 2 7.173 1.237 7.619 20 2HD1 LEU 2 HD12 LEU 2 6.874 2.565 6.498 21 3HD1 LEU 2 HD13 LEU 2 8.430 2.436 7.317 22 1HD2 LEU 2 HD21 LEU 2 8.700 -0.618 6.989 23 2HD2 LEU 2 HD22 LEU 2 9.990 0.556 6.730 24 3HD2 LEU 2 HD23 LEU 2 9.558 -0.575 5.448 25 H GLY 3 HN GLY 3 7.146 -1.962 2.197 26 1HA GLY 3 HA2 GLY 3 5.344 -3.311 1.430 27 2HA GLY 3 HA1 GLY 3 4.214 -2.130 2.091 28 H LYS 4 HN LYS 4 6.209 -2.937 -0.681 29 HA LYS 4 HA LYS 4 5.802 -0.606 -2.266 30 1HB LYS 4 HB2 LYS 4 7.411 -2.374 -2.777 31 2HB LYS 4 HB1 LYS 4 6.105 -3.541 -2.982 32 1HG LYS 4 HG2 LYS 4 5.204 -1.962 -4.800 33 2HG LYS 4 HG1 LYS 4 6.780 -1.172 -4.730 34 1HD LYS 4 HD2 LYS 4 6.892 -4.117 -4.896 35 2HD LYS 4 HD1 LYS 4 6.213 -3.326 -6.320 36 1HE LYS 4 HE2 LYS 4 8.189 -2.106 -6.740 37 2HE LYS 4 HE1 LYS 4 8.782 -2.326 -5.082 38 1HZ LYS 4 HZ1 LYS 4 8.613 -4.315 -7.259 39 2HZ LYS 4 HZ2 LYS 4 8.630 -4.811 -5.634 40 3HZ LYS 4 HZ3 LYS 4 9.938 -3.934 -6.271 41 H ILE 5 HN ILE 5 3.563 -2.985 -1.217 42 HA ILE 5 HA ILE 5 1.531 -1.924 -3.144 43 HB ILE 5 HB ILE 5 1.858 -4.805 -2.248 44 1HG1 ILE 5 HG12 ILE 5 2.757 -3.368 -4.761 45 2HG1 ILE 5 HG11 ILE 5 3.759 -4.272 -3.625 46 1HG2 ILE 5 HG21 ILE 5 -0.005 -5.271 -3.481 47 2HG2 ILE 5 HG22 ILE 5 0.393 -4.076 -4.716 48 3HG2 ILE 5 HG23 ILE 5 -0.371 -3.568 -3.209 49 1HD1 ILE 5 HD11 ILE 5 2.317 -5.250 -5.917 50 2HD1 ILE 5 HD12 ILE 5 1.700 -6.032 -4.461 51 3HD1 ILE 5 HD13 ILE 5 3.418 -6.125 -4.852 52 H TRP 6 HN TRP 6 2.421 -2.198 0.026 53 HA TRP 6 HA TRP 6 -0.248 -2.837 1.130 54 1HB TRP 6 HB2 TRP 6 2.500 -2.887 1.949 55 2HB TRP 6 HB1 TRP 6 1.608 -1.859 3.070 56 HD1 TRP 6 HD1 TRP 6 2.701 -5.103 3.222 57 HE1 TRP 6 HE1 TRP 6 1.026 -6.759 4.268 58 HE3 TRP 6 HE3 TRP 6 -1.605 -2.390 2.795 59 HZ2 TRP 6 HZ2 TRP 6 -1.771 -6.913 4.847 60 HZ3 TRP 6 HZ3 TRP 6 -3.758 -3.315 3.601 61 HH2 TRP 6 HH2 TRP 6 -3.847 -5.571 4.626 62 H LYS 7 HN LYS 7 1.812 -0.046 0.519 63 HA LYS 7 HA LYS 7 0.396 1.836 2.176 64 1HB LYS 7 HB2 LYS 7 2.018 2.227 -0.361 65 2HB LYS 7 HB1 LYS 7 1.655 3.473 0.832 66 1HG LYS 7 HG2 LYS 7 2.721 1.642 2.477 67 2HG LYS 7 HG1 LYS 7 3.564 1.190 0.995 68 1HD LYS 7 HD2 LYS 7 3.540 3.906 2.334 69 2HD LYS 7 HD1 LYS 7 4.924 2.836 2.110 70 1HE LYS 7 HE2 LYS 7 3.368 4.265 -0.074 71 2HE LYS 7 HE1 LYS 7 5.058 4.544 0.394 72 1HZ LYS 7 HZ1 LYS 7 3.870 2.175 -0.906 73 2HZ LYS 7 HZ2 LYS 7 5.301 2.032 -0.002 74 3HZ LYS 7 HZ3 LYS 7 5.248 3.054 -1.358 75 HA PRO 8 HA PRO 8 -2.119 2.717 -1.701 76 1HB PRO 8 HB2 PRO 8 -2.125 0.937 -3.775 77 2HB PRO 8 HB1 PRO 8 -0.954 2.265 -3.651 78 1HG PRO 8 HG2 PRO 8 -0.625 -0.616 -2.994 79 2HG PRO 8 HG1 PRO 8 0.511 0.505 -3.760 80 1HD PRO 8 HD2 PRO 8 0.667 -0.228 -1.148 81 2HD PRO 8 HD1 PRO 8 1.246 1.333 -1.764 82 H ILE 9 HN ILE 9 -1.832 -0.824 -1.275 83 HA ILE 9 HA ILE 9 -4.490 -1.608 -1.694 84 HB ILE 9 HB ILE 9 -2.275 -2.496 0.154 85 1HG1 ILE 9 HG12 ILE 9 -3.609 -3.806 -2.236 86 2HG1 ILE 9 HG11 ILE 9 -2.131 -2.847 -2.323 87 1HG2 ILE 9 HG21 ILE 9 -4.918 -3.931 -0.239 88 2HG2 ILE 9 HG22 ILE 9 -4.492 -3.026 1.214 89 3HG2 ILE 9 HG23 ILE 9 -3.568 -4.460 0.765 90 1HD1 ILE 9 HD11 ILE 9 -2.570 -5.514 -0.995 91 2HD1 ILE 9 HD12 ILE 9 -1.252 -4.463 -0.478 92 3HD1 ILE 9 HD13 ILE 9 -1.315 -5.044 -2.142 93 H LYS 10 HN LYS 10 -3.172 0.303 0.904 94 HA LYS 10 HA LYS 10 -5.349 -0.162 2.789 95 1HB LYS 10 HB2 LYS 10 -2.949 0.546 3.263 96 2HB LYS 10 HB1 LYS 10 -3.382 2.138 2.639 97 1HG LYS 10 HG2 LYS 10 -4.954 0.795 4.844 98 2HG LYS 10 HG1 LYS 10 -3.564 1.830 5.176 99 1HD LYS 10 HD2 LYS 10 -4.910 3.431 3.468 100 2HD LYS 10 HD1 LYS 10 -6.267 2.555 4.177 101 1HE LYS 10 HE2 LYS 10 -5.585 3.202 6.425 102 2HE LYS 10 HE1 LYS 10 -4.111 3.962 5.792 103 1HZ LYS 10 HZ1 LYS 10 -6.698 4.723 4.637 104 2HZ LYS 10 HZ2 LYS 10 -5.277 5.641 4.799 105 3HZ LYS 10 HZ3 LYS 10 -6.276 5.369 6.147 106 H LYS 11 HN LYS 11 -4.607 2.227 0.289 107 HA LYS 11 HA LYS 11 -6.905 3.927 0.996 108 1HB LYS 11 HB2 LYS 11 -4.788 3.877 -1.165 109 2HB LYS 11 HB1 LYS 11 -6.086 5.071 -1.161 110 1HG LYS 11 HG2 LYS 11 -5.095 6.270 0.473 111 2HG LYS 11 HG1 LYS 11 -4.839 4.832 1.462 112 1HD LYS 11 HD2 LYS 11 -2.655 4.864 0.934 113 2HD LYS 11 HD1 LYS 11 -3.071 4.668 -0.769 114 1HE LYS 11 HE2 LYS 11 -3.469 7.188 -0.845 115 2HE LYS 11 HE1 LYS 11 -2.708 7.263 0.757 116 1HZ LYS 11 HZ1 LYS 11 -1.488 5.912 -1.589 117 2HZ LYS 11 HZ2 LYS 11 -0.760 6.213 -0.083 118 3HZ LYS 11 HZ3 LYS 11 -1.118 7.503 -1.130 119 H LEU 12 HN LEU 12 -5.959 1.982 -1.871 120 HA LEU 12 HA LEU 12 -8.315 2.226 -3.373 121 1HB LEU 12 HB2 LEU 12 -6.034 0.399 -3.106 122 2HB LEU 12 HB1 LEU 12 -7.475 -0.389 -3.749 123 HG LEU 12 HG LEU 12 -7.104 2.225 -4.954 124 1HD1 LEU 12 HD11 LEU 12 -4.905 2.243 -5.424 125 2HD1 LEU 12 HD12 LEU 12 -5.032 0.641 -6.150 126 3HD1 LEU 12 HD13 LEU 12 -4.694 0.803 -4.426 127 1HD2 LEU 12 HD21 LEU 12 -6.738 -0.163 -6.618 128 2HD2 LEU 12 HD22 LEU 12 -7.972 1.093 -6.716 129 3HD2 LEU 12 HD23 LEU 12 -8.171 -0.254 -5.594 130 H PHE 13 HN PHE 13 -7.620 0.009 -0.688 131 HA PHE 13 HA PHE 13 -10.442 -0.975 -0.805 132 1HB PHE 13 HB2 PHE 13 -7.808 -2.004 0.219 133 2HB PHE 13 HB1 PHE 13 -9.309 -2.661 0.870 134 HD1 PHE 13 HD1 PHE 13 -11.152 -2.862 -1.266 135 HD2 PHE 13 HD2 PHE 13 -6.893 -3.409 -1.396 136 HE1 PHE 13 HE1 PHE 13 -11.397 -4.295 -3.275 137 HE2 PHE 13 HE2 PHE 13 -7.139 -4.842 -3.405 138 HZ PHE 13 HZ PHE 13 -9.391 -5.285 -4.345 139 1HN NH2 14 HN1 NH2 14 -11.426 -1.340 1.490 140 2HN NH2 14 HN2 NH2 14 -11.115 -0.158 2.668 Start of MODEL 16 1 1H ILE 1 HT1 ILE 1 7.400 5.247 4.953 2 2H ILE 1 HT2 ILE 1 6.589 4.001 4.131 3 3H ILE 1 HT3 ILE 1 6.832 5.504 3.376 4 HA ILE 1 HA ILE 1 8.977 5.059 2.827 5 HB ILE 1 HB ILE 1 8.882 3.580 5.465 6 1HG1 ILE 1 HG12 ILE 1 10.701 5.844 4.651 7 2HG1 ILE 1 HG11 ILE 1 9.055 6.166 5.194 8 1HG2 ILE 1 HG21 ILE 1 10.354 2.324 3.950 9 2HG2 ILE 1 HG22 ILE 1 11.310 3.175 5.163 10 3HG2 ILE 1 HG23 ILE 1 11.201 3.810 3.522 11 1HD1 ILE 1 HD11 ILE 1 11.192 5.942 6.876 12 2HD1 ILE 1 HD12 ILE 1 10.579 4.288 6.893 13 3HD1 ILE 1 HD13 ILE 1 9.525 5.624 7.357 14 H LEU 2 HN LEU 2 9.073 3.754 1.046 15 HA LEU 2 HA LEU 2 8.771 1.867 -0.347 16 1HB LEU 2 HB2 LEU 2 9.902 1.119 2.228 17 2HB LEU 2 HB1 LEU 2 9.003 -0.221 1.515 18 HG LEU 2 HG LEU 2 11.163 1.386 0.117 19 1HD1 LEU 2 HD11 LEU 2 12.449 -0.730 0.256 20 2HD1 LEU 2 HD12 LEU 2 11.144 -1.449 1.200 21 3HD1 LEU 2 HD13 LEU 2 12.066 -0.098 1.857 22 1HD2 LEU 2 HD21 LEU 2 9.775 0.658 -1.614 23 2HD2 LEU 2 HD22 LEU 2 9.269 -0.786 -0.736 24 3HD2 LEU 2 HD23 LEU 2 10.876 -0.712 -1.458 25 H GLY 3 HN GLY 3 7.589 -0.606 0.120 26 1HA GLY 3 HA2 GLY 3 5.515 -1.542 1.117 27 2HA GLY 3 HA1 GLY 3 4.845 0.088 1.081 28 H LYS 4 HN LYS 4 5.858 -2.611 -0.967 29 HA LYS 4 HA LYS 4 4.707 -1.391 -3.387 30 1HB LYS 4 HB2 LYS 4 6.725 -3.129 -2.895 31 2HB LYS 4 HB1 LYS 4 5.428 -4.275 -3.239 32 1HG LYS 4 HG2 LYS 4 6.332 -1.999 -5.028 33 2HG LYS 4 HG1 LYS 4 6.586 -3.721 -5.317 34 1HD LYS 4 HD2 LYS 4 4.062 -3.993 -5.259 35 2HD LYS 4 HD1 LYS 4 3.950 -2.233 -5.268 36 1HE LYS 4 HE2 LYS 4 4.044 -2.375 -7.536 37 2HE LYS 4 HE1 LYS 4 5.751 -2.822 -7.338 38 1HZ LYS 4 HZ1 LYS 4 3.519 -4.763 -7.100 39 2HZ LYS 4 HZ2 LYS 4 5.181 -5.103 -7.181 40 3HZ LYS 4 HZ3 LYS 4 4.366 -4.504 -8.546 41 H ILE 5 HN ILE 5 3.623 -3.384 -0.780 42 HA ILE 5 HA ILE 5 1.118 -4.010 -2.310 43 HB ILE 5 HB ILE 5 2.372 -5.641 -0.084 44 1HG1 ILE 5 HG12 ILE 5 3.901 -5.445 -2.055 45 2HG1 ILE 5 HG11 ILE 5 3.300 -7.087 -1.820 46 1HG2 ILE 5 HG21 ILE 5 0.813 -7.097 -2.013 47 2HG2 ILE 5 HG22 ILE 5 -0.126 -5.722 -1.433 48 3HG2 ILE 5 HG23 ILE 5 0.517 -6.897 -0.286 49 1HD1 ILE 5 HD11 ILE 5 1.910 -5.135 -3.658 50 2HD1 ILE 5 HD12 ILE 5 1.744 -6.890 -3.603 51 3HD1 ILE 5 HD13 ILE 5 3.228 -6.163 -4.220 52 H TRP 6 HN TRP 6 2.491 -2.366 0.308 53 HA TRP 6 HA TRP 6 0.010 -2.503 1.958 54 1HB TRP 6 HB2 TRP 6 2.841 -2.259 2.404 55 2HB TRP 6 HB1 TRP 6 2.036 -0.847 3.087 56 HD1 TRP 6 HD1 TRP 6 3.192 -3.894 4.320 57 HE1 TRP 6 HE1 TRP 6 1.716 -4.888 6.186 58 HE3 TRP 6 HE3 TRP 6 -1.084 -1.200 3.592 59 HZ2 TRP 6 HZ2 TRP 6 -0.929 -4.581 7.231 60 HZ3 TRP 6 HZ3 TRP 6 -3.064 -1.570 5.035 61 HH2 TRP 6 HH2 TRP 6 -2.992 -3.255 6.852 62 H LYS 7 HN LYS 7 1.904 -0.347 -0.066 63 HA LYS 7 HA LYS 7 0.580 2.107 0.760 64 1HB LYS 7 HB2 LYS 7 2.877 1.718 -0.353 65 2HB LYS 7 HB1 LYS 7 1.978 1.555 -1.863 66 1HG LYS 7 HG2 LYS 7 1.777 3.788 -2.036 67 2HG LYS 7 HG1 LYS 7 1.045 3.877 -0.434 68 1HD LYS 7 HD2 LYS 7 3.196 4.022 0.631 69 2HD LYS 7 HD1 LYS 7 4.031 3.649 -0.877 70 1HE LYS 7 HE2 LYS 7 3.541 5.765 -1.815 71 2HE LYS 7 HE1 LYS 7 2.237 6.074 -0.650 72 1HZ LYS 7 HZ1 LYS 7 5.148 6.145 -0.238 73 2HZ LYS 7 HZ2 LYS 7 4.143 5.719 1.064 74 3HZ LYS 7 HZ3 LYS 7 3.961 7.228 0.306 75 HA PRO 8 HA PRO 8 -2.050 1.259 -3.036 76 1HB PRO 8 HB2 PRO 8 -2.080 -1.226 -4.172 77 2HB PRO 8 HB1 PRO 8 -0.917 0.033 -4.636 78 1HG PRO 8 HG2 PRO 8 -0.548 -2.330 -2.880 79 2HG PRO 8 HG1 PRO 8 0.576 -1.583 -4.025 80 1HD PRO 8 HD2 PRO 8 0.683 -1.236 -1.311 81 2HD PRO 8 HD1 PRO 8 1.338 -0.084 -2.492 82 H ILE 9 HN ILE 9 -1.716 -1.624 -0.973 83 HA ILE 9 HA ILE 9 -4.395 -2.553 -1.052 84 HB ILE 9 HB ILE 9 -2.105 -2.614 0.899 85 1HG1 ILE 9 HG12 ILE 9 -3.651 -4.702 -0.671 86 2HG1 ILE 9 HG11 ILE 9 -2.040 -4.088 -1.049 87 1HG2 ILE 9 HG21 ILE 9 -3.588 -4.322 2.176 88 2HG2 ILE 9 HG22 ILE 9 -4.945 -3.502 1.405 89 3HG2 ILE 9 HG23 ILE 9 -3.866 -2.606 2.474 90 1HD1 ILE 9 HD11 ILE 9 -2.875 -6.061 0.989 91 2HD1 ILE 9 HD12 ILE 9 -1.695 -4.873 1.542 92 3HD1 ILE 9 HD13 ILE 9 -1.333 -5.893 0.149 93 H LYS 10 HN LYS 10 -2.898 0.024 0.889 94 HA LYS 10 HA LYS 10 -5.214 0.524 2.553 95 1HB LYS 10 HB2 LYS 10 -3.030 1.209 3.273 96 2HB LYS 10 HB1 LYS 10 -2.736 2.079 1.767 97 1HG LYS 10 HG2 LYS 10 -5.161 2.972 3.156 98 2HG LYS 10 HG1 LYS 10 -3.690 3.215 4.100 99 1HD LYS 10 HD2 LYS 10 -3.666 3.972 1.202 100 2HD LYS 10 HD1 LYS 10 -4.484 5.039 2.344 101 1HE LYS 10 HE2 LYS 10 -2.278 5.874 2.370 102 2HE LYS 10 HE1 LYS 10 -2.264 4.760 3.751 103 1HZ LYS 10 HZ1 LYS 10 -1.218 3.118 2.538 104 2HZ LYS 10 HZ2 LYS 10 -0.460 4.514 1.934 105 3HZ LYS 10 HZ3 LYS 10 -1.692 3.759 1.041 106 H LYS 11 HN LYS 11 -4.329 1.405 -0.692 107 HA LYS 11 HA LYS 11 -5.916 3.799 -0.954 108 1HB LYS 11 HB2 LYS 11 -4.013 2.825 -2.408 109 2HB LYS 11 HB1 LYS 11 -5.259 1.804 -3.128 110 1HG LYS 11 HG2 LYS 11 -5.361 3.621 -4.559 111 2HG LYS 11 HG1 LYS 11 -6.545 4.119 -3.349 112 1HD LYS 11 HD2 LYS 11 -5.069 5.635 -2.340 113 2HD LYS 11 HD1 LYS 11 -3.643 4.836 -3.003 114 1HE LYS 11 HE2 LYS 11 -3.876 5.849 -5.086 115 2HE LYS 11 HE1 LYS 11 -5.632 6.037 -4.909 116 1HZ LYS 11 HZ1 LYS 11 -4.431 8.146 -4.583 117 2HZ LYS 11 HZ2 LYS 11 -3.600 7.459 -3.270 118 3HZ LYS 11 HZ3 LYS 11 -5.284 7.672 -3.196 119 H LEU 12 HN LEU 12 -6.544 0.438 -2.053 120 HA LEU 12 HA LEU 12 -9.396 1.084 -2.485 121 1HB LEU 12 HB2 LEU 12 -7.551 -1.257 -2.967 122 2HB LEU 12 HB1 LEU 12 -9.295 -1.422 -3.172 123 HG LEU 12 HG LEU 12 -7.490 0.550 -4.601 124 1HD1 LEU 12 HD11 LEU 12 -9.219 -1.683 -5.701 125 2HD1 LEU 12 HD12 LEU 12 -7.495 -1.856 -5.374 126 3HD1 LEU 12 HD13 LEU 12 -8.050 -0.703 -6.587 127 1HD2 LEU 12 HD21 LEU 12 -10.485 0.274 -4.410 128 2HD2 LEU 12 HD22 LEU 12 -9.744 0.932 -5.869 129 3HD2 LEU 12 HD23 LEU 12 -9.502 1.736 -4.318 130 H PHE 13 HN PHE 13 -8.190 1.019 0.291 131 HA PHE 13 HA PHE 13 -9.680 -1.298 1.459 132 1HB PHE 13 HB2 PHE 13 -7.142 -0.116 1.880 133 2HB PHE 13 HB1 PHE 13 -8.098 0.256 3.314 134 HD1 PHE 13 HD1 PHE 13 -8.173 -2.702 1.018 135 HD2 PHE 13 HD2 PHE 13 -7.442 -1.246 4.993 136 HE1 PHE 13 HE1 PHE 13 -7.884 -5.031 1.818 137 HE2 PHE 13 HE2 PHE 13 -7.153 -3.576 5.793 138 HZ PHE 13 HZ PHE 13 -7.375 -5.469 4.205 139 1HN NH2 14 HN1 NH2 14 -9.883 0.011 4.096 140 2HN NH2 14 HN2 NH2 14 -11.087 1.201 3.971 Start of MODEL 17 1 1H ILE 1 HT1 ILE 1 -8.220 3.723 -0.833 2 2H ILE 1 HT2 ILE 1 -8.735 5.302 -1.189 3 3H ILE 1 HT3 ILE 1 -9.514 4.405 0.025 4 HA ILE 1 HA ILE 1 -6.801 5.601 0.091 5 HB ILE 1 HB ILE 1 -7.762 6.793 1.945 6 1HG1 ILE 1 HG12 ILE 1 -10.206 5.019 1.664 7 2HG1 ILE 1 HG11 ILE 1 -8.946 4.772 2.874 8 1HG2 ILE 1 HG21 ILE 1 -9.644 7.916 0.900 9 2HG2 ILE 1 HG22 ILE 1 -9.939 6.529 -0.149 10 3HG2 ILE 1 HG23 ILE 1 -8.480 7.498 -0.357 11 1HD1 ILE 1 HD11 ILE 1 -9.386 7.292 3.454 12 2HD1 ILE 1 HD12 ILE 1 -10.495 6.060 4.058 13 3HD1 ILE 1 HD13 ILE 1 -10.928 7.019 2.642 14 H LEU 2 HN LEU 2 -8.875 3.016 1.279 15 HA LEU 2 HA LEU 2 -7.521 2.258 3.641 16 1HB LEU 2 HB2 LEU 2 -9.296 1.072 1.602 17 2HB LEU 2 HB1 LEU 2 -8.326 -0.106 2.487 18 HG LEU 2 HG LEU 2 -9.732 2.065 4.007 19 1HD1 LEU 2 HD11 LEU 2 -11.810 1.105 3.858 20 2HD1 LEU 2 HD12 LEU 2 -11.157 -0.519 3.642 21 3HD1 LEU 2 HD13 LEU 2 -11.206 0.599 2.280 22 1HD2 LEU 2 HD21 LEU 2 -9.934 -0.260 5.416 23 2HD2 LEU 2 HD22 LEU 2 -8.565 0.844 5.549 24 3HD2 LEU 2 HD23 LEU 2 -8.460 -0.568 4.497 25 H GLY 3 HN GLY 3 -6.558 -0.334 3.253 26 1HA GLY 3 HA2 GLY 3 -3.900 0.218 2.181 27 2HA GLY 3 HA1 GLY 3 -4.427 -1.301 2.903 28 H LYS 4 HN LYS 4 -6.744 -0.533 0.682 29 HA LYS 4 HA LYS 4 -6.343 -2.648 -1.076 30 1HB LYS 4 HB2 LYS 4 -7.934 -0.302 -0.861 31 2HB LYS 4 HB1 LYS 4 -7.317 -0.348 -2.513 32 1HG LYS 4 HG2 LYS 4 -9.302 -1.624 -2.622 33 2HG LYS 4 HG1 LYS 4 -8.028 -2.838 -2.495 34 1HD LYS 4 HD2 LYS 4 -8.644 -3.460 -0.382 35 2HD LYS 4 HD1 LYS 4 -9.108 -1.820 0.075 36 1HE LYS 4 HE2 LYS 4 -10.796 -3.110 -2.011 37 2HE LYS 4 HE1 LYS 4 -10.940 -3.760 -0.366 38 1HZ LYS 4 HZ1 LYS 4 -12.389 -1.951 -0.369 39 2HZ LYS 4 HZ2 LYS 4 -11.342 -0.980 -1.290 40 3HZ LYS 4 HZ3 LYS 4 -10.982 -1.318 0.336 41 H ILE 5 HN ILE 5 -4.614 0.389 -0.949 42 HA ILE 5 HA ILE 5 -3.060 -0.434 -3.382 43 HB ILE 5 HB ILE 5 -3.656 2.359 -2.354 44 1HG1 ILE 5 HG12 ILE 5 -4.849 1.125 -4.829 45 2HG1 ILE 5 HG11 ILE 5 -5.610 0.869 -3.258 46 1HG2 ILE 5 HG21 ILE 5 -3.048 2.278 -5.123 47 2HG2 ILE 5 HG22 ILE 5 -1.831 1.294 -4.310 48 3HG2 ILE 5 HG23 ILE 5 -2.072 2.974 -3.829 49 1HD1 ILE 5 HD11 ILE 5 -5.982 3.079 -4.916 50 2HD1 ILE 5 HD12 ILE 5 -4.880 3.663 -3.668 51 3HD1 ILE 5 HD13 ILE 5 -6.437 2.968 -3.215 52 H TRP 6 HN TRP 6 -2.891 -0.254 -0.099 53 HA TRP 6 HA TRP 6 -0.232 1.004 0.132 54 1HB TRP 6 HB2 TRP 6 -2.258 1.021 1.777 55 2HB TRP 6 HB1 TRP 6 -1.687 -0.582 2.243 56 HD1 TRP 6 HD1 TRP 6 -0.119 -0.511 4.228 57 HE1 TRP 6 HE1 TRP 6 1.631 1.142 5.152 58 HE3 TRP 6 HE3 TRP 6 -0.461 3.186 0.723 59 HZ2 TRP 6 HZ2 TRP 6 2.739 3.695 4.491 60 HZ3 TRP 6 HZ3 TRP 6 0.951 5.215 0.893 61 HH2 TRP 6 HH2 TRP 6 2.550 5.474 2.771 62 H LYS 7 HN LYS 7 -1.618 -2.201 -0.164 63 HA LYS 7 HA LYS 7 0.374 -3.851 0.929 64 1HB LYS 7 HB2 LYS 7 -1.898 -4.072 -0.667 65 2HB LYS 7 HB1 LYS 7 -0.616 -4.734 -1.681 66 1HG LYS 7 HG2 LYS 7 -0.274 -5.682 1.014 67 2HG LYS 7 HG1 LYS 7 -1.927 -6.004 0.490 68 1HD LYS 7 HD2 LYS 7 -0.390 -7.860 -0.111 69 2HD LYS 7 HD1 LYS 7 -1.096 -7.103 -1.539 70 1HE LYS 7 HE2 LYS 7 0.953 -5.746 -1.841 71 2HE LYS 7 HE1 LYS 7 1.670 -6.525 -0.416 72 1HZ LYS 7 HZ1 LYS 7 1.625 -8.608 -1.437 73 2HZ LYS 7 HZ2 LYS 7 2.156 -7.572 -2.674 74 3HZ LYS 7 HZ3 LYS 7 0.544 -8.109 -2.645 75 HA PRO 8 HA PRO 8 2.986 -3.176 -2.863 76 1HB PRO 8 HB2 PRO 8 2.203 -1.466 -4.847 77 2HB PRO 8 HB1 PRO 8 1.643 -3.147 -4.746 78 1HG PRO 8 HG2 PRO 8 0.258 -0.640 -3.949 79 2HG PRO 8 HG1 PRO 8 -0.394 -2.096 -4.718 80 1HD PRO 8 HD2 PRO 8 -0.675 -1.538 -2.065 81 2HD PRO 8 HD1 PRO 8 -0.660 -3.186 -2.728 82 H ILE 9 HN ILE 9 1.432 0.053 -2.631 83 HA ILE 9 HA ILE 9 3.666 1.695 -2.924 84 HB ILE 9 HB ILE 9 1.200 1.852 -1.179 85 1HG1 ILE 9 HG12 ILE 9 1.046 1.868 -3.710 86 2HG1 ILE 9 HG11 ILE 9 0.384 3.303 -2.926 87 1HG2 ILE 9 HG21 ILE 9 1.728 4.320 -1.043 88 2HG2 ILE 9 HG22 ILE 9 3.338 3.946 -1.658 89 3HG2 ILE 9 HG23 ILE 9 2.813 3.293 -0.106 90 1HD1 ILE 9 HD11 ILE 9 1.819 3.877 -4.877 91 2HD1 ILE 9 HD12 ILE 9 3.183 3.096 -4.076 92 3HD1 ILE 9 HD13 ILE 9 2.451 4.536 -3.368 93 H LYS 10 HN LYS 10 2.410 0.504 0.223 94 HA LYS 10 HA LYS 10 4.683 1.414 1.736 95 1HB LYS 10 HB2 LYS 10 3.465 0.538 3.507 96 2HB LYS 10 HB1 LYS 10 2.190 0.640 2.297 97 1HG LYS 10 HG2 LYS 10 1.959 -1.547 3.124 98 2HG LYS 10 HG1 LYS 10 2.906 -1.776 1.655 99 1HD LYS 10 HD2 LYS 10 4.391 -2.867 2.968 100 2HD LYS 10 HD1 LYS 10 4.845 -1.272 3.568 101 1HE LYS 10 HE2 LYS 10 2.446 -2.157 4.918 102 2HE LYS 10 HE1 LYS 10 3.721 -3.382 5.077 103 1HZ LYS 10 HZ1 LYS 10 5.177 -1.886 6.014 104 2HZ LYS 10 HZ2 LYS 10 3.705 -1.352 6.674 105 3HZ LYS 10 HZ3 LYS 10 4.396 -0.532 5.356 106 H LYS 11 HN LYS 11 3.904 -1.609 0.103 107 HA LYS 11 HA LYS 11 5.674 -3.466 1.101 108 1HB LYS 11 HB2 LYS 11 4.179 -3.083 -1.199 109 2HB LYS 11 HB1 LYS 11 5.823 -3.220 -1.823 110 1HG LYS 11 HG2 LYS 11 4.724 -5.181 0.194 111 2HG LYS 11 HG1 LYS 11 4.506 -5.413 -1.541 112 1HD LYS 11 HD2 LYS 11 6.733 -5.848 -1.906 113 2HD LYS 11 HD1 LYS 11 7.262 -4.780 -0.605 114 1HE LYS 11 HE2 LYS 11 5.712 -7.192 0.219 115 2HE LYS 11 HE1 LYS 11 7.368 -7.462 -0.363 116 1HZ LYS 11 HZ1 LYS 11 6.448 -5.792 1.887 117 2HZ LYS 11 HZ2 LYS 11 7.906 -5.424 1.096 118 3HZ LYS 11 HZ3 LYS 11 7.703 -6.932 1.851 119 H LEU 12 HN LEU 12 6.601 -1.178 -1.510 120 HA LEU 12 HA LEU 12 9.439 -1.742 -1.172 121 1HB LEU 12 HB2 LEU 12 7.654 -0.009 -2.817 122 2HB LEU 12 HB1 LEU 12 9.343 0.481 -2.688 123 HG LEU 12 HG LEU 12 8.350 -2.243 -3.578 124 1HD1 LEU 12 HD11 LEU 12 8.823 -1.604 -5.758 125 2HD1 LEU 12 HD12 LEU 12 9.990 -0.380 -5.256 126 3HD1 LEU 12 HD13 LEU 12 8.261 -0.068 -5.097 127 1HD2 LEU 12 HD21 LEU 12 11.107 -1.748 -4.161 128 2HD2 LEU 12 HD22 LEU 12 10.423 -2.991 -3.113 129 3HD2 LEU 12 HD23 LEU 12 10.844 -1.412 -2.450 130 H PHE 13 HN PHE 13 7.202 0.323 0.417 131 HA PHE 13 HA PHE 13 9.434 2.038 1.455 132 1HB PHE 13 HB2 PHE 13 6.776 2.530 0.436 133 2HB PHE 13 HB1 PHE 13 6.891 3.109 2.098 134 HD1 PHE 13 HD1 PHE 13 9.258 4.314 2.625 135 HD2 PHE 13 HD2 PHE 13 7.394 4.026 -1.234 136 HE1 PHE 13 HE1 PHE 13 10.554 6.282 1.853 137 HE2 PHE 13 HE2 PHE 13 8.690 5.994 -2.007 138 HZ PHE 13 HZ PHE 13 10.270 7.122 -0.464 139 1HN NH2 14 HN1 NH2 14 6.201 1.545 2.883 140 2HN NH2 14 HN2 NH2 14 6.752 0.859 4.335 Start of MODEL 18 1 1H ILE 1 HT1 ILE 1 -11.552 -2.359 4.483 2 2H ILE 1 HT2 ILE 1 -11.009 -1.753 5.975 3 3H ILE 1 HT3 ILE 1 -10.023 -2.800 5.070 4 HA ILE 1 HA ILE 1 -10.865 -0.327 3.754 5 HB ILE 1 HB ILE 1 -9.021 -0.574 6.142 6 1HG1 ILE 1 HG12 ILE 1 -11.335 -0.037 6.668 7 2HG1 ILE 1 HG11 ILE 1 -10.363 1.422 6.872 8 1HG2 ILE 1 HG21 ILE 1 -8.805 2.032 5.363 9 2HG2 ILE 1 HG22 ILE 1 -8.882 1.226 3.796 10 3HG2 ILE 1 HG23 ILE 1 -7.626 0.785 4.954 11 1HD1 ILE 1 HD11 ILE 1 -11.967 2.369 5.555 12 2HD1 ILE 1 HD12 ILE 1 -12.466 0.819 4.877 13 3HD1 ILE 1 HD13 ILE 1 -11.039 1.640 4.244 14 H LEU 2 HN LEU 2 -9.644 -0.210 1.894 15 HA LEU 2 HA LEU 2 -7.405 -2.162 1.581 16 1HB LEU 2 HB2 LEU 2 -9.389 -0.775 -0.190 17 2HB LEU 2 HB1 LEU 2 -7.866 -1.315 -0.896 18 HG LEU 2 HG LEU 2 -8.845 -3.424 0.755 19 1HD1 LEU 2 HD11 LEU 2 -11.008 -3.883 -0.276 20 2HD1 LEU 2 HD12 LEU 2 -10.879 -2.426 -1.261 21 3HD1 LEU 2 HD13 LEU 2 -11.058 -2.295 0.489 22 1HD2 LEU 2 HD21 LEU 2 -8.340 -4.668 -1.111 23 2HD2 LEU 2 HD22 LEU 2 -7.528 -3.178 -1.589 24 3HD2 LEU 2 HD23 LEU 2 -9.140 -3.540 -2.206 25 H GLY 3 HN GLY 3 -5.458 -1.383 0.420 26 1HA GLY 3 HA2 GLY 3 -4.941 1.515 0.953 27 2HA GLY 3 HA1 GLY 3 -3.699 0.268 1.043 28 H LYS 4 HN LYS 4 -6.027 1.641 -1.271 29 HA LYS 4 HA LYS 4 -5.081 0.669 -3.685 30 1HB LYS 4 HB2 LYS 4 -6.849 2.551 -2.864 31 2HB LYS 4 HB1 LYS 4 -5.597 3.592 -3.543 32 1HG LYS 4 HG2 LYS 4 -6.233 1.259 -5.218 33 2HG LYS 4 HG1 LYS 4 -7.583 2.374 -5.007 34 1HD LYS 4 HD2 LYS 4 -4.797 3.229 -5.840 35 2HD LYS 4 HD1 LYS 4 -6.119 2.935 -6.971 36 1HE LYS 4 HE2 LYS 4 -7.389 4.764 -6.142 37 2HE LYS 4 HE1 LYS 4 -6.415 4.871 -4.661 38 1HZ LYS 4 HZ1 LYS 4 -4.580 5.660 -5.825 39 2HZ LYS 4 HZ2 LYS 4 -5.872 6.484 -6.558 40 3HZ LYS 4 HZ3 LYS 4 -5.172 5.141 -7.327 41 H ILE 5 HN ILE 5 -3.600 3.188 -1.683 42 HA ILE 5 HA ILE 5 -1.226 3.131 -3.518 43 HB ILE 5 HB ILE 5 -2.364 5.483 -1.973 44 1HG1 ILE 5 HG12 ILE 5 -2.387 5.591 -4.904 45 2HG1 ILE 5 HG11 ILE 5 -3.417 4.314 -4.257 46 1HG2 ILE 5 HG21 ILE 5 -0.091 5.156 -3.940 47 2HG2 ILE 5 HG22 ILE 5 -0.027 5.819 -2.307 48 3HG2 ILE 5 HG23 ILE 5 -0.819 6.725 -3.596 49 1HD1 ILE 5 HD11 ILE 5 -4.186 6.927 -4.491 50 2HD1 ILE 5 HD12 ILE 5 -3.606 6.890 -2.826 51 3HD1 ILE 5 HD13 ILE 5 -4.886 5.790 -3.339 52 H TRP 6 HN TRP 6 -1.892 1.712 -0.887 53 HA TRP 6 HA TRP 6 0.612 2.503 0.511 54 1HB TRP 6 HB2 TRP 6 -2.163 2.904 1.370 55 2HB TRP 6 HB1 TRP 6 -1.187 2.052 2.565 56 HD1 TRP 6 HD1 TRP 6 -2.230 5.271 2.392 57 HE1 TRP 6 HE1 TRP 6 -0.445 7.046 2.945 58 HE3 TRP 6 HE3 TRP 6 2.006 2.490 1.755 59 HZ2 TRP 6 HZ2 TRP 6 2.404 7.259 3.097 60 HZ3 TRP 6 HZ3 TRP 6 4.239 3.503 2.110 61 HH2 TRP 6 HH2 TRP 6 4.444 5.881 2.780 62 H LYS 7 HN LYS 7 -2.053 0.186 0.163 63 HA LYS 7 HA LYS 7 -1.071 -1.897 1.814 64 1HB LYS 7 HB2 LYS 7 -3.269 -2.057 0.967 65 2HB LYS 7 HB1 LYS 7 -2.751 -1.746 -0.687 66 1HG LYS 7 HG2 LYS 7 -1.409 -4.088 0.357 67 2HG LYS 7 HG1 LYS 7 -3.157 -4.261 0.516 68 1HD LYS 7 HD2 LYS 7 -2.841 -3.151 -2.015 69 2HD LYS 7 HD1 LYS 7 -1.506 -4.297 -1.894 70 1HE LYS 7 HE2 LYS 7 -4.345 -5.052 -1.142 71 2HE LYS 7 HE1 LYS 7 -3.698 -5.276 -2.779 72 1HZ LYS 7 HZ1 LYS 7 -2.264 -6.862 -2.102 73 2HZ LYS 7 HZ2 LYS 7 -3.378 -7.069 -0.837 74 3HZ LYS 7 HZ3 LYS 7 -1.980 -6.133 -0.598 75 HA PRO 8 HA PRO 8 1.542 -3.330 -1.803 76 1HB PRO 8 HB2 PRO 8 1.788 -1.797 -4.056 77 2HB PRO 8 HB1 PRO 8 0.472 -2.967 -3.827 78 1HG PRO 8 HG2 PRO 8 0.460 -0.011 -3.461 79 2HG PRO 8 HG1 PRO 8 -0.772 -1.066 -4.175 80 1HD PRO 8 HD2 PRO 8 -0.961 -0.090 -1.657 81 2HD PRO 8 HD1 PRO 8 -1.637 -1.661 -2.140 82 H ILE 9 HN ILE 9 1.689 0.251 -1.948 83 HA ILE 9 HA ILE 9 4.465 0.583 -2.234 84 HB ILE 9 HB ILE 9 2.258 2.109 -0.853 85 1HG1 ILE 9 HG12 ILE 9 3.570 3.560 -2.907 86 2HG1 ILE 9 HG11 ILE 9 3.375 1.911 -3.504 87 1HG2 ILE 9 HG21 ILE 9 5.111 3.079 -1.203 88 2HG2 ILE 9 HG22 ILE 9 4.427 2.553 0.336 89 3HG2 ILE 9 HG23 ILE 9 3.772 3.973 -0.481 90 1HD1 ILE 9 HD11 ILE 9 0.937 2.242 -2.432 91 2HD1 ILE 9 HD12 ILE 9 1.305 2.728 -4.087 92 3HD1 ILE 9 HD13 ILE 9 1.299 3.929 -2.795 93 H LYS 10 HN LYS 10 2.672 -0.616 0.487 94 HA LYS 10 HA LYS 10 4.536 -0.008 2.591 95 1HB LYS 10 HB2 LYS 10 2.162 -0.706 2.859 96 2HB LYS 10 HB1 LYS 10 2.582 -2.308 2.252 97 1HG LYS 10 HG2 LYS 10 4.067 -1.138 4.594 98 2HG LYS 10 HG1 LYS 10 2.509 -1.930 4.834 99 1HD LYS 10 HD2 LYS 10 3.913 -3.665 3.151 100 2HD LYS 10 HD1 LYS 10 5.116 -3.120 4.320 101 1HE LYS 10 HE2 LYS 10 2.393 -3.969 5.290 102 2HE LYS 10 HE1 LYS 10 3.629 -5.192 4.934 103 1HZ LYS 10 HZ1 LYS 10 4.289 -4.676 7.025 104 2HZ LYS 10 HZ2 LYS 10 3.608 -3.121 6.987 105 3HZ LYS 10 HZ3 LYS 10 5.098 -3.417 6.228 106 H LYS 11 HN LYS 11 4.347 -2.580 0.187 107 HA LYS 11 HA LYS 11 6.438 -4.208 1.451 108 1HB LYS 11 HB2 LYS 11 4.939 -4.236 -1.182 109 2HB LYS 11 HB1 LYS 11 6.167 -5.437 -0.778 110 1HG LYS 11 HG2 LYS 11 4.910 -6.283 1.038 111 2HG LYS 11 HG1 LYS 11 3.868 -4.861 1.089 112 1HD LYS 11 HD2 LYS 11 3.152 -5.542 -1.302 113 2HD LYS 11 HD1 LYS 11 3.876 -7.106 -0.926 114 1HE LYS 11 HE2 LYS 11 2.260 -7.628 0.651 115 2HE LYS 11 HE1 LYS 11 1.976 -5.927 1.072 116 1HZ LYS 11 HZ1 LYS 11 0.955 -7.473 -1.201 117 2HZ LYS 11 HZ2 LYS 11 1.278 -5.822 -1.440 118 3HZ LYS 11 HZ3 LYS 11 0.168 -6.310 -0.250 119 H LEU 12 HN LEU 12 6.207 -1.784 -1.113 120 HA LEU 12 HA LEU 12 8.739 -2.189 -2.359 121 1HB LEU 12 HB2 LEU 12 6.671 -0.079 -2.097 122 2HB LEU 12 HB1 LEU 12 8.273 0.491 -2.568 123 HG LEU 12 HG LEU 12 7.170 -1.924 -3.948 124 1HD1 LEU 12 HD11 LEU 12 5.940 0.732 -3.964 125 2HD1 LEU 12 HD12 LEU 12 5.330 -0.789 -4.616 126 3HD1 LEU 12 HD13 LEU 12 6.430 0.203 -5.573 127 1HD2 LEU 12 HD21 LEU 12 9.286 0.065 -4.280 128 2HD2 LEU 12 HD22 LEU 12 8.332 -0.141 -5.749 129 3HD2 LEU 12 HD23 LEU 12 9.129 -1.531 -5.012 130 H PHE 13 HN PHE 13 7.856 -0.690 0.683 131 HA PHE 13 HA PHE 13 10.164 0.931 1.125 132 1HB PHE 13 HB2 PHE 13 7.812 0.350 2.394 133 2HB PHE 13 HB1 PHE 13 8.967 -0.493 3.428 134 HD1 PHE 13 HD1 PHE 13 9.402 0.810 5.316 135 HD2 PHE 13 HD2 PHE 13 9.190 2.695 1.462 136 HE1 PHE 13 HE1 PHE 13 10.070 2.969 6.336 137 HE2 PHE 13 HE2 PHE 13 9.858 4.854 2.482 138 HZ PHE 13 HZ PHE 13 10.298 4.992 4.919 139 1HN NH2 14 HN1 NH2 14 12.023 0.371 2.629 140 2HN NH2 14 HN2 NH2 14 12.618 -1.219 2.654 Start of MODEL 19 1 1H ILE 1 HT1 ILE 1 -9.332 -1.738 -4.332 2 2H ILE 1 HT2 ILE 1 -10.376 -3.059 -4.108 3 3H ILE 1 HT3 ILE 1 -8.976 -3.230 -5.055 4 HA ILE 1 HA ILE 1 -8.960 -4.126 -2.637 5 HB ILE 1 HB ILE 1 -6.513 -3.389 -2.621 6 1HG1 ILE 1 HG12 ILE 1 -5.846 -2.208 -4.781 7 2HG1 ILE 1 HG11 ILE 1 -7.555 -1.824 -4.997 8 1HG2 ILE 1 HG21 ILE 1 -6.052 -4.979 -4.201 9 2HG2 ILE 1 HG22 ILE 1 -7.098 -4.229 -5.407 10 3HG2 ILE 1 HG23 ILE 1 -7.796 -5.234 -4.137 11 1HD1 ILE 1 HD11 ILE 1 -7.523 -0.234 -3.377 12 2HD1 ILE 1 HD12 ILE 1 -5.774 -0.272 -3.594 13 3HD1 ILE 1 HD13 ILE 1 -6.523 -1.216 -2.306 14 H LEU 2 HN LEU 2 -7.792 -3.234 -0.588 15 HA LEU 2 HA LEU 2 -9.020 -0.590 0.100 16 1HB LEU 2 HB2 LEU 2 -8.120 -2.935 1.809 17 2HB LEU 2 HB1 LEU 2 -8.928 -1.486 2.409 18 HG LEU 2 HG LEU 2 -10.140 -3.244 0.269 19 1HD1 LEU 2 HD11 LEU 2 -9.631 -4.195 2.751 20 2HD1 LEU 2 HD12 LEU 2 -11.071 -4.637 1.833 21 3HD1 LEU 2 HD13 LEU 2 -11.160 -3.370 3.057 22 1HD2 LEU 2 HD21 LEU 2 -12.232 -2.131 1.170 23 2HD2 LEU 2 HD22 LEU 2 -11.101 -1.034 0.378 24 3HD2 LEU 2 HD23 LEU 2 -11.181 -1.097 2.139 25 H GLY 3 HN GLY 3 -7.572 0.125 2.288 26 1HA GLY 3 HA2 GLY 3 -5.600 1.293 2.822 27 2HA GLY 3 HA1 GLY 3 -4.795 -0.197 2.334 28 H LYS 4 HN LYS 4 -6.121 2.831 1.047 29 HA LYS 4 HA LYS 4 -4.919 2.534 -1.578 30 1HB LYS 4 HB2 LYS 4 -6.262 4.681 0.041 31 2HB LYS 4 HB1 LYS 4 -5.462 5.115 -1.470 32 1HG LYS 4 HG2 LYS 4 -6.907 3.813 -2.766 33 2HG LYS 4 HG1 LYS 4 -7.360 2.786 -1.405 34 1HD LYS 4 HD2 LYS 4 -9.222 4.265 -1.906 35 2HD LYS 4 HD1 LYS 4 -8.510 4.759 -0.370 36 1HE LYS 4 HE2 LYS 4 -7.218 6.080 -2.640 37 2HE LYS 4 HE1 LYS 4 -8.954 6.440 -2.544 38 1HZ LYS 4 HZ1 LYS 4 -8.645 6.843 -0.142 39 2HZ LYS 4 HZ2 LYS 4 -7.779 7.942 -1.106 40 3HZ LYS 4 HZ3 LYS 4 -6.971 6.658 -0.341 41 H ILE 5 HN ILE 5 -3.494 3.018 1.395 42 HA ILE 5 HA ILE 5 -1.082 4.220 0.128 43 HB ILE 5 HB ILE 5 -2.528 5.224 2.601 44 1HG1 ILE 5 HG12 ILE 5 -1.942 6.508 -0.087 45 2HG1 ILE 5 HG11 ILE 5 -3.522 5.952 0.465 46 1HG2 ILE 5 HG21 ILE 5 0.234 5.619 1.565 47 2HG2 ILE 5 HG22 ILE 5 -0.364 5.675 3.223 48 3HG2 ILE 5 HG23 ILE 5 -0.604 7.056 2.151 49 1HD1 ILE 5 HD11 ILE 5 -3.442 7.553 2.336 50 2HD1 ILE 5 HD12 ILE 5 -3.273 8.389 0.792 51 3HD1 ILE 5 HD13 ILE 5 -1.854 8.105 1.801 52 H TRP 6 HN TRP 6 -2.083 1.579 1.433 53 HA TRP 6 HA TRP 6 0.233 1.289 3.317 54 1HB TRP 6 HB2 TRP 6 -1.964 1.430 4.460 55 2HB TRP 6 HB1 TRP 6 -2.546 0.078 3.489 56 HD1 TRP 6 HD1 TRP 6 -2.552 -2.026 4.895 57 HE1 TRP 6 HE1 TRP 6 -0.971 -3.107 6.621 58 HE3 TRP 6 HE3 TRP 6 1.060 1.576 5.161 59 HZ2 TRP 6 HZ2 TRP 6 1.497 -2.522 7.940 60 HZ3 TRP 6 HZ3 TRP 6 3.013 1.288 6.660 61 HH2 TRP 6 HH2 TRP 6 3.236 -0.754 8.048 62 H LYS 7 HN LYS 7 -1.746 -0.108 0.770 63 HA LYS 7 HA LYS 7 -0.446 -2.728 0.858 64 1HB LYS 7 HB2 LYS 7 -2.808 -1.754 -0.057 65 2HB LYS 7 HB1 LYS 7 -1.885 -1.783 -1.561 66 1HG LYS 7 HG2 LYS 7 -1.546 -4.102 -1.460 67 2HG LYS 7 HG1 LYS 7 -1.868 -4.169 0.272 68 1HD LYS 7 HD2 LYS 7 -4.254 -3.350 -0.374 69 2HD LYS 7 HD1 LYS 7 -3.828 -3.893 -1.997 70 1HE LYS 7 HE2 LYS 7 -4.863 -5.791 -0.983 71 2HE LYS 7 HE1 LYS 7 -3.124 -6.117 -0.842 72 1HZ LYS 7 HZ1 LYS 7 -3.459 -4.660 1.318 73 2HZ LYS 7 HZ2 LYS 7 -3.698 -6.342 1.332 74 3HZ LYS 7 HZ3 LYS 7 -5.029 -5.293 1.218 75 HA PRO 8 HA PRO 8 2.037 -0.909 -2.606 76 1HB PRO 8 HB2 PRO 8 1.805 1.721 -3.314 77 2HB PRO 8 HB1 PRO 8 0.707 0.459 -3.910 78 1HG PRO 8 HG2 PRO 8 0.297 2.461 -1.756 79 2HG PRO 8 HG1 PRO 8 -0.849 1.835 -2.951 80 1HD PRO 8 HD2 PRO 8 -0.766 1.019 -0.344 81 2HD PRO 8 HD1 PRO 8 -1.384 0.022 -1.677 82 H ILE 9 HN ILE 9 1.691 1.306 0.114 83 HA ILE 9 HA ILE 9 4.116 2.726 0.016 84 HB ILE 9 HB ILE 9 2.327 1.647 2.183 85 1HG1 ILE 9 HG12 ILE 9 1.557 3.586 0.938 86 2HG1 ILE 9 HG11 ILE 9 2.021 4.111 2.557 87 1HG2 ILE 9 HG21 ILE 9 5.047 2.887 2.513 88 2HG2 ILE 9 HG22 ILE 9 4.303 1.577 3.431 89 3HG2 ILE 9 HG23 ILE 9 3.782 3.242 3.690 90 1HD1 ILE 9 HD11 ILE 9 3.327 4.667 -0.061 91 2HD1 ILE 9 HD12 ILE 9 4.390 4.429 1.327 92 3HD1 ILE 9 HD13 ILE 9 3.168 5.701 1.360 93 H LYS 10 HN LYS 10 3.676 -0.165 2.092 94 HA LYS 10 HA LYS 10 6.476 -0.657 2.405 95 1HB LYS 10 HB2 LYS 10 4.521 -1.452 3.811 96 2HB LYS 10 HB1 LYS 10 4.188 -2.641 2.552 97 1HG LYS 10 HG2 LYS 10 6.951 -2.436 3.718 98 2HG LYS 10 HG1 LYS 10 5.697 -3.327 4.582 99 1HD LYS 10 HD2 LYS 10 5.630 -4.045 1.794 100 2HD LYS 10 HD1 LYS 10 7.271 -4.243 2.412 101 1HE LYS 10 HE2 LYS 10 6.610 -6.180 3.383 102 2HE LYS 10 HE1 LYS 10 5.517 -5.241 4.420 103 1HZ LYS 10 HZ1 LYS 10 4.962 -6.535 1.835 104 2HZ LYS 10 HZ2 LYS 10 4.081 -5.152 2.280 105 3HZ LYS 10 HZ3 LYS 10 4.036 -6.542 3.256 106 H LYS 11 HN LYS 11 4.231 -1.508 -0.138 107 HA LYS 11 HA LYS 11 5.727 -3.720 -1.254 108 1HB LYS 11 HB2 LYS 11 3.254 -2.626 -1.560 109 2HB LYS 11 HB1 LYS 11 4.054 -1.998 -3.000 110 1HG LYS 11 HG2 LYS 11 4.284 -4.073 -3.946 111 2HG LYS 11 HG1 LYS 11 4.506 -4.872 -2.389 112 1HD LYS 11 HD2 LYS 11 2.240 -5.122 -2.034 113 2HD LYS 11 HD1 LYS 11 1.830 -3.676 -2.958 114 1HE LYS 11 HE2 LYS 11 1.881 -4.799 -4.996 115 2HE LYS 11 HE1 LYS 11 3.034 -6.015 -4.411 116 1HZ LYS 11 HZ1 LYS 11 1.419 -7.157 -3.291 117 2HZ LYS 11 HZ2 LYS 11 0.497 -6.581 -4.597 118 3HZ LYS 11 HZ3 LYS 11 0.423 -5.799 -3.091 119 H LEU 12 HN LEU 12 5.351 -0.337 -2.406 120 HA LEU 12 HA LEU 12 7.534 -0.577 -4.309 121 1HB LEU 12 HB2 LEU 12 5.690 1.530 -3.246 122 2HB LEU 12 HB1 LEU 12 7.116 2.050 -4.145 123 HG LEU 12 HG LEU 12 5.759 -0.177 -5.453 124 1HD1 LEU 12 HD11 LEU 12 3.620 0.534 -5.513 125 2HD1 LEU 12 HD12 LEU 12 4.122 2.176 -5.918 126 3HD1 LEU 12 HD13 LEU 12 4.034 1.671 -4.230 127 1HD2 LEU 12 HD21 LEU 12 5.981 1.310 -7.387 128 2HD2 LEU 12 HD22 LEU 12 7.479 1.326 -6.456 129 3HD2 LEU 12 HD23 LEU 12 6.346 2.671 -6.326 130 H PHE 13 HN PHE 13 7.284 0.357 -0.942 131 HA PHE 13 HA PHE 13 10.027 1.521 -0.974 132 1HB PHE 13 HB2 PHE 13 7.722 2.293 0.223 133 2HB PHE 13 HB1 PHE 13 8.407 1.300 1.511 134 HD1 PHE 13 HD1 PHE 13 10.044 3.472 -1.066 135 HD2 PHE 13 HD2 PHE 13 9.327 2.749 3.107 136 HE1 PHE 13 HE1 PHE 13 11.607 5.306 -0.480 137 HE2 PHE 13 HE2 PHE 13 10.890 4.583 3.693 138 HZ PHE 13 HZ PHE 13 12.030 5.862 1.900 139 1HN NH2 14 HN1 NH2 14 11.562 -0.182 -0.857 140 2HN NH2 14 HN2 NH2 14 11.508 -1.440 0.281 Start of MODEL 20 1 1H ILE 1 HT1 ILE 1 7.025 4.779 3.200 2 2H ILE 1 HT2 ILE 1 8.159 5.791 3.957 3 3H ILE 1 HT3 ILE 1 8.395 4.108 3.941 4 HA ILE 1 HA ILE 1 8.637 6.015 1.683 5 HB ILE 1 HB ILE 1 10.363 3.959 3.093 6 1HG1 ILE 1 HG12 ILE 1 11.290 6.730 2.682 7 2HG1 ILE 1 HG11 ILE 1 9.863 6.590 3.708 8 1HG2 ILE 1 HG21 ILE 1 12.036 5.266 1.377 9 2HG2 ILE 1 HG22 ILE 1 10.568 5.173 0.403 10 3HG2 ILE 1 HG23 ILE 1 11.304 3.699 1.031 11 1HD1 ILE 1 HD11 ILE 1 12.638 5.743 4.227 12 2HD1 ILE 1 HD12 ILE 1 11.420 4.542 4.658 13 3HD1 ILE 1 HD13 ILE 1 11.356 6.157 5.365 14 H LEU 2 HN LEU 2 9.181 2.520 2.246 15 HA LEU 2 HA LEU 2 8.378 1.904 -0.508 16 1HB LEU 2 HB2 LEU 2 8.960 -0.415 0.294 17 2HB LEU 2 HB1 LEU 2 10.248 0.762 0.543 18 HG LEU 2 HG LEU 2 8.412 0.717 2.797 19 1HD1 LEU 2 HD11 LEU 2 9.806 -1.864 2.027 20 2HD1 LEU 2 HD12 LEU 2 8.069 -1.621 2.211 21 3HD1 LEU 2 HD13 LEU 2 9.126 -1.538 3.621 22 1HD2 LEU 2 HD21 LEU 2 10.462 1.651 3.304 23 2HD2 LEU 2 HD22 LEU 2 11.339 0.567 2.224 24 3HD2 LEU 2 HD23 LEU 2 10.793 -0.010 3.799 25 H GLY 3 HN GLY 3 7.107 -0.581 -0.086 26 1HA GLY 3 HA2 GLY 3 5.018 -0.914 1.637 27 2HA GLY 3 HA1 GLY 3 4.390 0.326 0.552 28 H LYS 4 HN LYS 4 5.800 -2.931 0.568 29 HA LYS 4 HA LYS 4 5.033 -3.503 -2.185 30 1HB LYS 4 HB2 LYS 4 6.533 -4.658 -0.003 31 2HB LYS 4 HB1 LYS 4 5.461 -5.876 -0.696 32 1HG LYS 4 HG2 LYS 4 6.319 -5.305 -2.961 33 2HG LYS 4 HG1 LYS 4 7.442 -4.162 -2.224 34 1HD LYS 4 HD2 LYS 4 8.897 -5.836 -1.864 35 2HD LYS 4 HD1 LYS 4 7.708 -6.636 -0.835 36 1HE LYS 4 HE2 LYS 4 7.747 -6.882 -3.864 37 2HE LYS 4 HE1 LYS 4 8.457 -8.076 -2.759 38 1HZ LYS 4 HZ1 LYS 4 6.153 -8.632 -3.295 39 2HZ LYS 4 HZ2 LYS 4 5.639 -7.129 -2.692 40 3HZ LYS 4 HZ3 LYS 4 6.327 -8.277 -1.646 41 H ILE 5 HN ILE 5 3.322 -3.405 0.771 42 HA ILE 5 HA ILE 5 1.039 -4.851 -0.496 43 HB ILE 5 HB ILE 5 2.319 -6.425 0.922 44 1HG1 ILE 5 HG12 ILE 5 -0.137 -5.729 2.510 45 2HG1 ILE 5 HG11 ILE 5 -0.308 -6.248 0.833 46 1HG2 ILE 5 HG21 ILE 5 3.409 -5.066 2.510 47 2HG2 ILE 5 HG22 ILE 5 2.173 -5.891 3.460 48 3HG2 ILE 5 HG23 ILE 5 1.921 -4.224 2.944 49 1HD1 ILE 5 HD11 ILE 5 1.548 -7.928 2.352 50 2HD1 ILE 5 HD12 ILE 5 0.180 -8.398 1.342 51 3HD1 ILE 5 HD13 ILE 5 -0.083 -7.935 3.024 52 H TRP 6 HN TRP 6 1.791 -1.978 0.258 53 HA TRP 6 HA TRP 6 -0.716 -1.392 1.778 54 1HB TRP 6 HB2 TRP 6 1.370 -1.393 3.212 55 2HB TRP 6 HB1 TRP 6 1.972 -0.063 2.222 56 HD1 TRP 6 HD1 TRP 6 1.547 2.180 3.313 57 HE1 TRP 6 HE1 TRP 6 -0.306 3.210 4.780 58 HE3 TRP 6 HE3 TRP 6 -1.594 -1.827 3.712 59 HZ2 TRP 6 HZ2 TRP 6 -2.791 2.438 5.966 60 HZ3 TRP 6 HZ3 TRP 6 -3.695 -1.653 5.015 61 HH2 TRP 6 HH2 TRP 6 -4.297 0.473 6.141 62 H LYS 7 HN LYS 7 1.860 -0.219 -0.358 63 HA LYS 7 HA LYS 7 0.985 2.355 -0.992 64 1HB LYS 7 HB2 LYS 7 2.524 0.182 -2.216 65 2HB LYS 7 HB1 LYS 7 1.771 1.234 -3.415 66 1HG LYS 7 HG2 LYS 7 2.691 3.149 -1.827 67 2HG LYS 7 HG1 LYS 7 3.829 1.892 -1.341 68 1HD LYS 7 HD2 LYS 7 5.035 2.440 -3.169 69 2HD LYS 7 HD1 LYS 7 3.753 1.694 -4.123 70 1HE LYS 7 HE2 LYS 7 3.873 3.866 -5.041 71 2HE LYS 7 HE1 LYS 7 2.570 4.036 -3.848 72 1HZ LYS 7 HZ1 LYS 7 5.447 4.649 -3.423 73 2HZ LYS 7 HZ2 LYS 7 4.263 4.684 -2.204 74 3HZ LYS 7 HZ3 LYS 7 4.181 5.775 -3.504 75 HA PRO 8 HA PRO 8 -2.218 0.636 -3.934 76 1HB PRO 8 HB2 PRO 8 -2.485 -2.056 -4.340 77 2HB PRO 8 HB1 PRO 8 -1.305 -1.060 -5.215 78 1HG PRO 8 HG2 PRO 8 -0.902 -2.858 -2.881 79 2HG PRO 8 HG1 PRO 8 0.137 -2.583 -4.288 80 1HD PRO 8 HD2 PRO 8 0.596 -1.473 -1.844 81 2HD PRO 8 HD1 PRO 8 1.110 -0.729 -3.373 82 H ILE 9 HN ILE 9 -1.937 -1.860 -1.377 83 HA ILE 9 HA ILE 9 -4.645 -2.439 -0.948 84 HB ILE 9 HB ILE 9 -2.218 -2.210 0.833 85 1HG1 ILE 9 HG12 ILE 9 -2.816 -4.766 0.905 86 2HG1 ILE 9 HG11 ILE 9 -3.787 -4.393 -0.519 87 1HG2 ILE 9 HG21 ILE 9 -3.468 -3.232 2.653 88 2HG2 ILE 9 HG22 ILE 9 -4.928 -3.287 1.666 89 3HG2 ILE 9 HG23 ILE 9 -4.275 -1.734 2.188 90 1HD1 ILE 9 HD11 ILE 9 -1.957 -4.045 -1.836 91 2HD1 ILE 9 HD12 ILE 9 -1.142 -5.033 -0.624 92 3HD1 ILE 9 HD13 ILE 9 -1.047 -3.274 -0.536 93 H LYS 10 HN LYS 10 -2.739 0.275 0.388 94 HA LYS 10 HA LYS 10 -4.767 1.408 2.038 95 1HB LYS 10 HB2 LYS 10 -2.410 2.034 2.130 96 2HB LYS 10 HB1 LYS 10 -2.470 2.626 0.470 97 1HG LYS 10 HG2 LYS 10 -4.315 3.753 2.569 98 2HG LYS 10 HG1 LYS 10 -2.669 4.362 2.395 99 1HD LYS 10 HD2 LYS 10 -3.747 4.199 -0.221 100 2HD LYS 10 HD1 LYS 10 -4.983 4.955 0.786 101 1HE LYS 10 HE2 LYS 10 -3.810 6.890 0.758 102 2HE LYS 10 HE1 LYS 10 -2.428 6.063 1.503 103 1HZ LYS 10 HZ1 LYS 10 -1.852 5.186 -0.703 104 2HZ LYS 10 HZ2 LYS 10 -1.796 6.884 -0.663 105 3HZ LYS 10 HZ3 LYS 10 -3.111 6.091 -1.391 106 H LYS 11 HN LYS 11 -4.438 1.296 -1.407 107 HA LYS 11 HA LYS 11 -6.176 3.623 -1.910 108 1HB LYS 11 HB2 LYS 11 -4.221 2.126 -3.271 109 2HB LYS 11 HB1 LYS 11 -5.727 1.802 -4.131 110 1HG LYS 11 HG2 LYS 11 -5.632 4.594 -3.490 111 2HG LYS 11 HG1 LYS 11 -4.111 4.144 -4.262 112 1HD LYS 11 HD2 LYS 11 -6.512 2.974 -5.519 113 2HD LYS 11 HD1 LYS 11 -6.410 4.732 -5.627 114 1HE LYS 11 HE2 LYS 11 -4.918 4.494 -7.315 115 2HE LYS 11 HE1 LYS 11 -3.803 3.711 -6.176 116 1HZ LYS 11 HZ1 LYS 11 -5.761 2.492 -7.992 117 2HZ LYS 11 HZ2 LYS 11 -5.446 1.720 -6.512 118 3HZ LYS 11 HZ3 LYS 11 -4.184 1.991 -7.617 119 H LEU 12 HN LEU 12 -6.461 0.141 -1.601 120 HA LEU 12 HA LEU 12 -9.060 -0.078 -2.900 121 1HB LEU 12 HB2 LEU 12 -7.227 -1.773 -1.232 122 2HB LEU 12 HB1 LEU 12 -8.885 -2.316 -1.492 123 HG LEU 12 HG LEU 12 -8.083 -1.510 -4.021 124 1HD1 LEU 12 HD11 LEU 12 -5.740 -1.383 -3.023 125 2HD1 LEU 12 HD12 LEU 12 -5.911 -2.432 -4.431 126 3HD1 LEU 12 HD13 LEU 12 -5.831 -3.132 -2.814 127 1HD2 LEU 12 HD21 LEU 12 -7.721 -4.332 -3.015 128 2HD2 LEU 12 HD22 LEU 12 -8.351 -3.792 -4.571 129 3HD2 LEU 12 HD23 LEU 12 -9.324 -3.604 -3.112 130 H PHE 13 HN PHE 13 -7.939 0.779 0.290 131 HA PHE 13 HA PHE 13 -10.183 0.085 1.885 132 1HB PHE 13 HB2 PHE 13 -7.989 2.121 1.912 133 2HB PHE 13 HB1 PHE 13 -9.302 2.310 3.074 134 HD1 PHE 13 HD1 PHE 13 -7.845 -0.833 1.680 135 HD2 PHE 13 HD2 PHE 13 -8.349 1.665 5.138 136 HE1 PHE 13 HE1 PHE 13 -6.846 -2.601 3.102 137 HE2 PHE 13 HE2 PHE 13 -7.350 -0.104 6.561 138 HZ PHE 13 HZ PHE 13 -6.598 -2.237 5.543 139 1HN NH2 14 HN1 NH2 14 -11.531 2.160 2.901 140 2HN NH2 14 HN2 NH2 14 -12.328 3.086 1.723
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