NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
635920 | 6qb0 | 34342 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H LEU 1 -0.403 -8.158 -0.660 2 HA LEU 1 HA LEU 1 0.735 -5.517 -0.025 3 HB2 LEU 1 2HB LEU 1 -1.933 -6.347 -0.241 4 HB3 LEU 1 3HB LEU 1 -1.630 -6.154 1.484 5 HG LEU 1 HG LEU 1 -0.581 -3.844 0.446 6 HD11 LEU 1 1HD1 LEU 1 -2.963 -4.664 -1.196 7 HD12 LEU 1 2HD1 LEU 1 -1.373 -4.152 -1.761 8 HD13 LEU 1 3HD1 LEU 1 -2.456 -2.986 -1.002 9 HD21 LEU 1 1HD2 LEU 1 -3.469 -3.995 1.202 10 HD22 LEU 1 2HD2 LEU 1 -2.257 -2.789 1.635 11 HD23 LEU 1 3HD2 LEU 1 -2.223 -4.385 2.388 12 H GLY 2 H GLY 2 2.360 -5.827 1.376 13 HA2 GLY 2 2HA GLY 2 1.728 -7.137 3.910 14 HA3 GLY 2 3HA GLY 2 3.081 -7.787 2.996 15 H GLN 3 H GLN 3 4.753 -6.119 2.340 16 HA GLN 3 HA GLN 3 6.347 -4.614 2.946 17 HB2 GLN 3 2HB GLN 3 3.809 -3.355 3.777 18 HB3 GLN 3 3HB GLN 3 5.255 -2.716 4.548 19 HG2 GLN 3 2HG GLN 3 6.217 -2.162 2.430 20 HG3 GLN 3 3HG GLN 3 4.909 -2.974 1.572 21 HE21 GLN 3 1HE2 GLN 3 4.675 -0.923 0.475 22 HE22 GLN 3 2HE2 GLN 3 3.748 0.333 1.214 23 H GLN 4 H GLN 4 7.044 -6.559 4.250 24 HA GLN 4 HA GLN 4 7.924 -5.717 6.790 25 HB2 GLN 4 2HB GLN 4 5.516 -6.236 7.307 26 HB3 GLN 4 3HB GLN 4 5.854 -7.913 6.900 27 HG2 GLN 4 2HG GLN 4 6.232 -8.109 9.096 28 HG3 GLN 4 3HG GLN 4 7.814 -7.448 8.687 29 HE21 GLN 4 1HE2 GLN 4 8.049 -5.097 8.848 30 HE22 GLN 4 2HE2 GLN 4 7.183 -4.263 10.088 31 H GLN 5 H GLN 5 9.607 -6.467 5.102 32 HA GLN 5 HA GLN 5 10.073 -9.095 4.433 33 HB2 GLN 5 2HB GLN 5 11.493 -6.697 4.284 34 HB3 GLN 5 3HB GLN 5 12.544 -7.778 5.189 35 HG2 GLN 5 2HG GLN 5 13.135 -8.830 3.341 36 HG3 GLN 5 3HG GLN 5 11.451 -9.170 2.946 37 HE21 GLN 5 1HE2 GLN 5 13.585 -6.330 3.011 38 HE22 GLN 5 2HE2 GLN 5 13.140 -5.749 1.446 39 H ALA 6 H ALA 6 10.656 -7.473 7.486 40 HA ALA 6 HA ALA 6 11.153 -8.259 9.564 41 HB1 ALA 6 1HB ALA 6 10.692 -11.059 8.601 42 HB2 ALA 6 2HB ALA 6 10.375 -10.362 10.190 43 HB3 ALA 6 3HB ALA 6 9.350 -9.936 8.820 44 H PHE 7 H PHE 7 13.363 -7.577 8.913 45 HA PHE 7 HA PHE 7 15.277 -9.461 8.015 46 HB2 PHE 7 2HB PHE 7 15.224 -6.700 8.590 47 HB3 PHE 7 3HB PHE 7 16.482 -7.389 9.611 48 HD1 PHE 7 HD1 PHE 7 15.573 -6.360 6.303 49 HD2 PHE 7 HD2 PHE 7 18.306 -8.748 8.527 50 HE1 PHE 7 HE1 PHE 7 17.110 -6.385 4.381 51 HE2 PHE 7 HE2 PHE 7 19.847 -8.776 6.610 52 HZ PHE 7 HZ PHE 7 19.250 -7.593 4.534 53 HA PRO 8 HA PRO 8 16.599 -9.782 12.651 54 HB2 PRO 8 2HB PRO 8 14.944 -8.679 14.498 55 HB3 PRO 8 3HB PRO 8 16.262 -7.784 13.733 56 HG2 PRO 8 2HG PRO 8 13.340 -7.775 13.084 57 HG3 PRO 8 3HG PRO 8 14.467 -6.410 13.184 58 HD2 PRO 8 2HD PRO 8 13.717 -7.510 10.826 59 HD3 PRO 8 3HD PRO 8 15.325 -6.802 11.081 60 HA PRO 9 HA PRO 9 14.109 -13.255 13.688 61 HB2 PRO 9 2HB PRO 9 14.628 -13.599 16.330 62 HB3 PRO 9 3HB PRO 9 15.810 -13.955 15.065 63 HG2 PRO 9 2HG PRO 9 15.572 -11.532 16.808 64 HG3 PRO 9 3HG PRO 9 17.025 -12.435 16.339 65 HD2 PRO 9 2HD PRO 9 16.303 -10.114 15.145 66 HD3 PRO 9 3HD PRO 9 17.147 -11.412 14.277 67 H GLN 10 H GLN 10 11.954 -12.937 13.585 68 HA GLN 10 HA GLN 10 10.408 -12.653 15.892 69 HB2 GLN 10 2HB GLN 10 11.012 -10.354 16.002 70 HB3 GLN 10 3HB GLN 10 10.755 -10.132 14.277 71 HG2 GLN 10 2HG GLN 10 8.539 -9.843 14.506 72 HG3 GLN 10 3HG GLN 10 8.408 -11.035 15.798 73 HE21 GLN 10 1HE2 GLN 10 7.352 -8.271 15.496 74 HE22 GLN 10 2HE2 GLN 10 7.874 -7.435 16.914 75 H GLN 11 H GLN 11 9.381 -14.405 14.914 76 HA GLN 11 HA GLN 11 7.260 -13.687 13.103 77 HB2 GLN 11 2HB GLN 11 9.064 -14.125 11.513 78 HB3 GLN 11 3HB GLN 11 9.349 -15.697 12.248 79 HG2 GLN 11 2HG GLN 11 7.945 -16.559 10.775 80 HG3 GLN 11 3HG GLN 11 6.645 -15.690 11.589 81 HE21 GLN 11 1HE2 GLN 11 9.255 -15.017 9.277 82 HE22 GLN 11 2HE2 GLN 11 8.292 -14.061 8.208 83 HA PRO 12 HA PRO 12 6.333 -17.004 16.227 84 HB2 PRO 12 2HB PRO 12 4.101 -15.800 17.195 85 HB3 PRO 12 3HB PRO 12 5.722 -15.457 17.812 86 HG2 PRO 12 2HG PRO 12 4.074 -13.906 15.853 87 HG3 PRO 12 3HG PRO 12 5.058 -13.313 17.203 88 HD2 PRO 12 2HD PRO 12 5.918 -13.249 14.636 89 HD3 PRO 12 3HD PRO 12 7.022 -13.476 16.008 90 H TYR 13 H TYR 13 5.472 -18.692 15.191 91 HA TYR 13 HA TYR 13 2.788 -18.429 14.066 92 HB2 TYR 13 2HB TYR 13 4.757 -18.249 12.313 93 HB3 TYR 13 3HB TYR 13 4.783 -20.000 12.488 94 HD1 TYR 13 HD1 TYR 13 3.642 -17.556 10.427 95 HD2 TYR 13 HD2 TYR 13 2.151 -20.926 12.554 96 HE1 TYR 13 HE1 TYR 13 1.783 -17.736 8.826 97 HE2 TYR 13 HE2 TYR 13 0.289 -21.116 10.959 98 HH TYR 13 HH TYR 13 -0.806 -18.915 9.140 Start of MODEL 2 1 H1 LEU 1 H LEU 1 1.807 0.000 0.855 2 HA LEU 1 HA LEU 1 1.590 -0.652 -1.941 3 HB2 LEU 1 2HB LEU 1 1.159 1.831 -1.777 4 HB3 LEU 1 3HB LEU 1 2.821 1.997 -1.214 5 HG LEU 1 HG LEU 1 2.645 0.529 -3.718 6 HD11 LEU 1 1HD1 LEU 1 0.916 1.757 -4.533 7 HD12 LEU 1 2HD1 LEU 1 2.229 2.882 -4.874 8 HD13 LEU 1 3HD1 LEU 1 1.218 3.114 -3.448 9 HD21 LEU 1 1HD2 LEU 1 4.754 1.266 -3.319 10 HD22 LEU 1 2HD2 LEU 1 4.210 2.717 -2.476 11 HD23 LEU 1 3HD2 LEU 1 4.168 2.652 -4.239 12 H GLY 2 H GLY 2 2.854 -2.416 -1.100 13 HA2 GLY 2 2HA GLY 2 5.577 -2.227 -1.612 14 HA3 GLY 2 3HA GLY 2 5.386 -2.031 0.123 15 H GLN 3 H GLN 3 3.501 -3.766 0.845 16 HA GLN 3 HA GLN 3 3.116 -5.949 1.351 17 HB2 GLN 3 2HB GLN 3 3.660 -5.964 -1.551 18 HB3 GLN 3 3HB GLN 3 3.832 -7.518 -0.744 19 HG2 GLN 3 2HG GLN 3 1.574 -7.433 0.040 20 HG3 GLN 3 3HG GLN 3 1.383 -5.783 -0.550 21 HE21 GLN 3 1HE2 GLN 3 0.459 -8.781 -1.159 22 HE22 GLN 3 2HE2 GLN 3 0.321 -8.744 -2.880 23 H GLN 4 H GLN 4 5.035 -5.486 2.789 24 HA GLN 4 HA GLN 4 6.757 -7.715 2.800 25 HB2 GLN 4 2HB GLN 4 7.808 -6.355 0.961 26 HB3 GLN 4 3HB GLN 4 8.156 -5.117 2.161 27 HG2 GLN 4 2HG GLN 4 9.505 -6.739 3.418 28 HG3 GLN 4 3HG GLN 4 9.190 -7.943 2.170 29 HE21 GLN 4 1HE2 GLN 4 9.753 -7.161 -0.093 30 HE22 GLN 4 2HE2 GLN 4 11.259 -6.331 -0.259 31 H GLN 5 H GLN 5 5.452 -7.363 4.842 32 HA GLN 5 HA GLN 5 5.873 -5.356 6.677 33 HB2 GLN 5 2HB GLN 5 4.626 -7.854 6.675 34 HB3 GLN 5 3HB GLN 5 5.791 -7.941 7.989 35 HG2 GLN 5 2HG GLN 5 4.648 -6.508 9.272 36 HG3 GLN 5 3HG GLN 5 4.224 -5.469 7.913 37 HE21 GLN 5 1HE2 GLN 5 3.097 -7.693 10.135 38 HE22 GLN 5 2HE2 GLN 5 1.565 -8.035 9.413 39 H ALA 6 H ALA 6 7.775 -8.323 6.240 40 HA ALA 6 HA ALA 6 9.899 -8.874 6.845 41 HB1 ALA 6 1HB ALA 6 11.293 -6.651 7.483 42 HB2 ALA 6 2HB ALA 6 11.010 -7.198 5.830 43 HB3 ALA 6 3HB ALA 6 9.983 -5.949 6.533 44 H PHE 7 H PHE 7 8.749 -9.782 8.757 45 HA PHE 7 HA PHE 7 8.465 -8.551 11.207 46 HB2 PHE 7 2HB PHE 7 8.863 -10.899 12.157 47 HB3 PHE 7 3HB PHE 7 7.555 -10.714 10.994 48 HD1 PHE 7 HD1 PHE 7 7.387 -12.276 9.326 49 HD2 PHE 7 HD2 PHE 7 11.203 -11.497 11.043 50 HE1 PHE 7 HE1 PHE 7 8.371 -14.052 7.936 51 HE2 PHE 7 HE2 PHE 7 12.194 -13.270 9.655 52 HZ PHE 7 HZ PHE 7 10.778 -14.550 8.098 53 HA PRO 8 HA PRO 8 12.448 -7.814 12.892 54 HB2 PRO 8 2HB PRO 8 12.096 -8.455 15.507 55 HB3 PRO 8 3HB PRO 8 11.396 -7.009 14.769 56 HG2 PRO 8 2HG PRO 8 10.113 -9.652 15.345 57 HG3 PRO 8 3HG PRO 8 9.469 -8.018 15.591 58 HD2 PRO 8 2HD PRO 8 8.780 -9.551 13.468 59 HD3 PRO 8 3HD PRO 8 8.879 -7.780 13.376 60 HA PRO 9 HA PRO 9 14.920 -11.439 13.180 61 HB2 PRO 9 2HB PRO 9 16.808 -10.736 15.000 62 HB3 PRO 9 3HB PRO 9 16.755 -10.069 13.363 63 HG2 PRO 9 2HG PRO 9 15.773 -8.877 15.928 64 HG3 PRO 9 3HG PRO 9 16.667 -8.105 14.605 65 HD2 PRO 9 2HD PRO 9 13.989 -7.839 14.903 66 HD3 PRO 9 3HD PRO 9 14.776 -7.843 13.312 67 H GLN 10 H GLN 10 15.574 -13.219 14.527 68 HA GLN 10 HA GLN 10 15.100 -14.834 16.063 69 HB2 GLN 10 2HB GLN 10 16.503 -13.444 17.464 70 HB3 GLN 10 3HB GLN 10 15.139 -12.409 17.864 71 HG2 GLN 10 2HG GLN 10 14.179 -13.986 19.255 72 HG3 GLN 10 3HG GLN 10 15.058 -15.322 18.513 73 HE21 GLN 10 1HE2 GLN 10 15.199 -12.701 20.783 74 HE22 GLN 10 2HE2 GLN 10 16.667 -13.180 21.557 75 H GLN 11 H GLN 11 13.017 -15.186 15.030 76 HA GLN 11 HA GLN 11 10.903 -15.277 16.891 77 HB2 GLN 11 2HB GLN 11 10.958 -12.804 16.118 78 HB3 GLN 11 3HB GLN 11 10.280 -13.418 14.615 79 HG2 GLN 11 2HG GLN 11 8.252 -13.666 15.500 80 HG3 GLN 11 3HG GLN 11 8.886 -14.385 16.980 81 HE21 GLN 11 1HE2 GLN 11 9.023 -13.176 18.774 82 HE22 GLN 11 2HE2 GLN 11 8.616 -11.500 18.864 83 HA PRO 12 HA PRO 12 10.800 -18.161 13.236 84 HB2 PRO 12 2HB PRO 12 10.770 -20.434 14.720 85 HB3 PRO 12 3HB PRO 12 12.264 -19.627 14.228 86 HG2 PRO 12 2HG PRO 12 10.818 -19.503 16.847 87 HG3 PRO 12 3HG PRO 12 12.557 -19.652 16.535 88 HD2 PRO 12 2HD PRO 12 11.393 -17.300 17.198 89 HD3 PRO 12 3HD PRO 12 12.806 -17.397 16.128 90 H TYR 13 H TYR 13 8.942 -18.946 12.395 91 HA TYR 13 HA TYR 13 6.509 -18.593 13.909 92 HB2 TYR 13 2HB TYR 13 6.884 -18.029 11.420 93 HB3 TYR 13 3HB TYR 13 6.679 -19.754 11.138 94 HD1 TYR 13 HD1 TYR 13 4.978 -16.868 12.783 95 HD2 TYR 13 HD2 TYR 13 4.547 -20.595 10.777 96 HE1 TYR 13 HE1 TYR 13 2.537 -16.565 12.757 97 HE2 TYR 13 HE2 TYR 13 2.106 -20.303 10.745 98 HH TYR 13 HH TYR 13 0.593 -17.344 11.968 Start of MODEL 3 1 H1 LEU 1 H LEU 1 -0.304 -5.703 2.472 2 HA LEU 1 HA LEU 1 1.841 -6.121 3.111 3 HB2 LEU 1 2HB LEU 1 0.291 -7.646 4.835 4 HB3 LEU 1 3HB LEU 1 1.490 -8.779 4.215 5 HG LEU 1 HG LEU 1 3.089 -6.712 4.887 6 HD11 LEU 1 1HD1 LEU 1 1.022 -6.729 7.065 7 HD12 LEU 1 2HD1 LEU 1 1.029 -5.525 5.777 8 HD13 LEU 1 3HD1 LEU 1 2.406 -5.654 6.871 9 HD21 LEU 1 1HD2 LEU 1 3.738 -8.008 6.772 10 HD22 LEU 1 2HD2 LEU 1 3.221 -9.138 5.519 11 HD23 LEU 1 3HD2 LEU 1 2.151 -8.771 6.874 12 H GLY 2 H GLY 2 3.700 -7.371 2.491 13 HA2 GLY 2 2HA GLY 2 3.375 -9.724 0.868 14 HA3 GLY 2 3HA GLY 2 3.750 -8.289 -0.074 15 H GLN 3 H GLN 3 4.947 -8.980 3.165 16 HA GLN 3 HA GLN 3 7.047 -9.269 3.987 17 HB2 GLN 3 2HB GLN 3 7.059 -10.753 1.434 18 HB3 GLN 3 3HB GLN 3 8.645 -10.336 2.071 19 HG2 GLN 3 2HG GLN 3 8.200 -11.494 4.115 20 HG3 GLN 3 3HG GLN 3 6.523 -11.770 3.647 21 HE21 GLN 3 1HE2 GLN 3 7.295 -14.004 4.212 22 HE22 GLN 3 2HE2 GLN 3 7.953 -14.952 2.925 23 H GLN 4 H GLN 4 6.968 -6.835 3.799 24 HA GLN 4 HA GLN 4 9.458 -5.884 2.890 25 HB2 GLN 4 2HB GLN 4 8.238 -6.090 0.698 26 HB3 GLN 4 3HB GLN 4 7.119 -4.864 1.277 27 HG2 GLN 4 2HG GLN 4 8.869 -3.968 -0.204 28 HG3 GLN 4 3HG GLN 4 8.873 -3.236 1.400 29 HE21 GLN 4 1HE2 GLN 4 11.019 -2.585 1.145 30 HE22 GLN 4 2HE2 GLN 4 12.330 -3.704 1.258 31 H GLN 5 H GLN 5 9.354 -5.214 5.092 32 HA GLN 5 HA GLN 5 8.696 -2.532 5.473 33 HB2 GLN 5 2HB GLN 5 6.414 -4.095 5.599 34 HB3 GLN 5 3HB GLN 5 6.860 -3.890 7.288 35 HG2 GLN 5 2HG GLN 5 6.322 -1.714 7.304 36 HG3 GLN 5 3HG GLN 5 6.949 -1.439 5.679 37 HE21 GLN 5 1HE2 GLN 5 5.427 -0.722 4.388 38 HE22 GLN 5 2HE2 GLN 5 3.780 -1.245 4.357 39 H ALA 6 H ALA 6 10.798 -4.407 6.016 40 HA ALA 6 HA ALA 6 12.362 -4.838 7.613 41 HB1 ALA 6 1HB ALA 6 12.661 -2.753 8.403 42 HB2 ALA 6 2HB ALA 6 10.934 -2.478 8.634 43 HB3 ALA 6 3HB ALA 6 11.849 -3.390 9.834 44 H PHE 7 H PHE 7 11.230 -6.964 7.655 45 HA PHE 7 HA PHE 7 9.298 -7.728 9.469 46 HB2 PHE 7 2HB PHE 7 9.959 -9.950 9.086 47 HB3 PHE 7 3HB PHE 7 10.446 -9.104 7.620 48 HD1 PHE 7 HD1 PHE 7 12.936 -7.977 7.989 49 HD2 PHE 7 HD2 PHE 7 11.444 -11.543 9.771 50 HE1 PHE 7 HE1 PHE 7 15.239 -8.789 8.284 51 HE2 PHE 7 HE2 PHE 7 13.745 -12.360 10.069 52 HZ PHE 7 HZ PHE 7 15.646 -10.983 9.326 53 HA PRO 8 HA PRO 8 11.028 -7.560 13.497 54 HB2 PRO 8 2HB PRO 8 9.925 -9.750 14.663 55 HB3 PRO 8 3HB PRO 8 8.997 -8.295 14.281 56 HG2 PRO 8 2HG PRO 8 9.195 -10.869 12.764 57 HG3 PRO 8 3HG PRO 8 7.763 -9.882 13.112 58 HD2 PRO 8 2HD PRO 8 9.031 -9.818 10.720 59 HD3 PRO 8 3HD PRO 8 8.217 -8.398 11.407 60 HA PRO 9 HA PRO 9 14.579 -10.112 13.956 61 HB2 PRO 9 2HB PRO 9 14.748 -10.428 16.648 62 HB3 PRO 9 3HB PRO 9 15.102 -8.898 15.836 63 HG2 PRO 9 2HG PRO 9 12.607 -9.760 17.247 64 HG3 PRO 9 3HG PRO 9 13.447 -8.200 17.312 65 HD2 PRO 9 2HD PRO 9 11.241 -8.605 15.796 66 HD3 PRO 9 3HD PRO 9 12.532 -7.482 15.322 67 H GLN 10 H GLN 10 14.024 -12.070 13.006 68 HA GLN 10 HA GLN 10 13.462 -14.273 12.854 69 HB2 GLN 10 2HB GLN 10 15.364 -14.517 14.333 70 HB3 GLN 10 3HB GLN 10 14.363 -14.170 15.737 71 HG2 GLN 10 2HG GLN 10 13.617 -16.268 15.875 72 HG3 GLN 10 3HG GLN 10 13.407 -16.412 14.131 73 HE21 GLN 10 1HE2 GLN 10 14.387 -18.286 13.697 74 HE22 GLN 10 2HE2 GLN 10 16.037 -18.649 14.057 75 H GLN 11 H GLN 11 11.209 -13.664 12.566 76 HA GLN 11 HA GLN 11 9.492 -15.126 14.287 77 HB2 GLN 11 2HB GLN 11 9.953 -12.821 15.454 78 HB3 GLN 11 3HB GLN 11 8.803 -12.213 14.270 79 HG2 GLN 11 2HG GLN 11 7.504 -14.402 15.258 80 HG3 GLN 11 3HG GLN 11 8.363 -13.802 16.676 81 HE21 GLN 11 1HE2 GLN 11 6.494 -12.515 13.944 82 HE22 GLN 11 2HE2 GLN 11 5.578 -11.389 14.881 83 HA PRO 12 HA PRO 12 8.136 -14.410 9.893 84 HB2 PRO 12 2HB PRO 12 7.869 -17.044 9.291 85 HB3 PRO 12 3HB PRO 12 9.396 -16.169 9.120 86 HG2 PRO 12 2HG PRO 12 8.480 -17.967 11.332 87 HG3 PRO 12 3HG PRO 12 10.067 -17.881 10.544 88 HD2 PRO 12 2HD PRO 12 9.570 -16.737 12.947 89 HD3 PRO 12 3HD PRO 12 10.724 -16.053 11.784 90 H TYR 13 H TYR 13 6.039 -14.110 9.466 91 HA TYR 13 HA TYR 13 4.066 -15.397 11.211 92 HB2 TYR 13 2HB TYR 13 4.328 -12.784 10.595 93 HB3 TYR 13 3HB TYR 13 3.218 -13.277 9.321 94 HD1 TYR 13 HD1 TYR 13 1.025 -12.787 9.805 95 HD2 TYR 13 HD2 TYR 13 3.580 -14.031 12.971 96 HE1 TYR 13 HE1 TYR 13 -0.858 -12.628 11.379 97 HE2 TYR 13 HE2 TYR 13 1.704 -13.876 14.554 98 HH TYR 13 HH TYR 13 -0.849 -13.993 14.400 Start of MODEL 4 1 H1 LEU 1 H LEU 1 0.115 0.810 0.768 2 HA LEU 1 HA LEU 1 1.868 0.227 -0.911 3 HB2 LEU 1 2HB LEU 1 3.151 2.500 0.566 4 HB3 LEU 1 3HB LEU 1 4.117 1.305 -0.297 5 HG LEU 1 HG LEU 1 2.605 1.961 -2.323 6 HD11 LEU 1 1HD1 LEU 1 2.254 4.556 -2.024 7 HD12 LEU 1 2HD1 LEU 1 2.073 4.102 -0.330 8 HD13 LEU 1 3HD1 LEU 1 1.011 3.399 -1.549 9 HD21 LEU 1 1HD2 LEU 1 4.188 3.917 -2.753 10 HD22 LEU 1 2HD2 LEU 1 4.914 2.336 -2.462 11 HD23 LEU 1 3HD2 LEU 1 4.885 3.544 -1.177 12 H GLY 2 H GLY 2 3.559 -1.281 -0.407 13 HA2 GLY 2 2HA GLY 2 4.576 -1.787 2.143 14 HA3 GLY 2 3HA GLY 2 3.098 -2.723 1.977 15 H GLN 3 H GLN 3 2.968 -4.254 0.196 16 HA GLN 3 HA GLN 3 3.771 -6.005 -1.013 17 HB2 GLN 3 2HB GLN 3 5.653 -3.805 -1.591 18 HB3 GLN 3 3HB GLN 3 6.253 -5.421 -1.939 19 HG2 GLN 3 2HG GLN 3 4.431 -5.847 -3.429 20 HG3 GLN 3 3HG GLN 3 3.646 -4.336 -2.973 21 HE21 GLN 3 1HE2 GLN 3 6.298 -5.779 -4.713 22 HE22 GLN 3 2HE2 GLN 3 6.687 -4.392 -5.667 23 H GLN 4 H GLN 4 3.879 -6.930 1.246 24 HA GLN 4 HA GLN 4 4.904 -8.253 2.785 25 HB2 GLN 4 2HB GLN 4 5.633 -9.525 0.860 26 HB3 GLN 4 3HB GLN 4 6.975 -8.421 0.591 27 HG2 GLN 4 2HG GLN 4 8.271 -9.597 1.938 28 HG3 GLN 4 3HG GLN 4 7.108 -9.445 3.255 29 HE21 GLN 4 1HE2 GLN 4 8.810 -11.694 2.510 30 HE22 GLN 4 2HE2 GLN 4 7.747 -13.028 2.236 31 H GLN 5 H GLN 5 5.129 -6.353 4.140 32 HA GLN 5 HA GLN 5 7.255 -4.608 4.225 33 HB2 GLN 5 2HB GLN 5 6.644 -4.114 6.448 34 HB3 GLN 5 3HB GLN 5 5.154 -4.623 5.665 35 HG2 GLN 5 2HG GLN 5 5.579 -6.918 6.619 36 HG3 GLN 5 3HG GLN 5 6.857 -6.181 7.584 37 HE21 GLN 5 1HE2 GLN 5 3.580 -6.888 7.386 38 HE22 GLN 5 2HE2 GLN 5 3.035 -5.953 8.733 39 H ALA 6 H ALA 6 7.116 -7.938 5.272 40 HA ALA 6 HA ALA 6 8.730 -9.408 5.919 41 HB1 ALA 6 1HB ALA 6 10.888 -7.469 5.221 42 HB2 ALA 6 2HB ALA 6 10.825 -9.216 4.986 43 HB3 ALA 6 3HB ALA 6 9.884 -8.152 3.941 44 H PHE 7 H PHE 7 7.884 -8.840 8.095 45 HA PHE 7 HA PHE 7 8.971 -6.985 9.822 46 HB2 PHE 7 2HB PHE 7 8.013 -8.210 11.582 47 HB3 PHE 7 3HB PHE 7 7.015 -8.617 10.191 48 HD1 PHE 7 HD1 PHE 7 8.417 -9.961 12.988 49 HD2 PHE 7 HD2 PHE 7 8.156 -10.705 8.805 50 HE1 PHE 7 HE1 PHE 7 8.844 -12.351 13.389 51 HE2 PHE 7 HE2 PHE 7 8.581 -13.095 9.200 52 HZ PHE 7 HZ PHE 7 8.925 -13.922 11.494 53 HA PRO 8 HA PRO 8 13.077 -8.205 10.769 54 HB2 PRO 8 2HB PRO 8 13.249 -7.565 13.402 55 HB3 PRO 8 3HB PRO 8 13.200 -6.350 12.120 56 HG2 PRO 8 2HG PRO 8 10.991 -7.329 13.888 57 HG3 PRO 8 3HG PRO 8 11.376 -5.671 13.393 58 HD2 PRO 8 2HD PRO 8 9.405 -7.118 12.230 59 HD3 PRO 8 3HD PRO 8 10.358 -5.913 11.339 60 HA PRO 9 HA PRO 9 13.315 -12.211 12.565 61 HB2 PRO 9 2HB PRO 9 15.742 -12.181 13.782 62 HB3 PRO 9 3HB PRO 9 15.549 -12.226 12.026 63 HG2 PRO 9 2HG PRO 9 16.129 -9.893 13.809 64 HG3 PRO 9 3HG PRO 9 16.848 -10.310 12.242 65 HD2 PRO 9 2HD PRO 9 14.910 -8.436 12.503 66 HD3 PRO 9 3HD PRO 9 15.068 -9.451 11.055 67 H GLN 10 H GLN 10 12.351 -13.075 14.287 68 HA GLN 10 HA GLN 10 13.091 -12.667 16.948 69 HB2 GLN 10 2HB GLN 10 12.198 -10.464 16.848 70 HB3 GLN 10 3HB GLN 10 10.752 -11.013 16.012 71 HG2 GLN 10 2HG GLN 10 9.842 -11.947 17.941 72 HG3 GLN 10 3HG GLN 10 11.395 -11.962 18.776 73 HE21 GLN 10 1HE2 GLN 10 8.702 -10.773 19.390 74 HE22 GLN 10 2HE2 GLN 10 9.039 -9.124 19.778 75 H GLN 11 H GLN 11 12.885 -14.916 16.893 76 HA GLN 11 HA GLN 11 11.858 -16.921 17.203 77 HB2 GLN 11 2HB GLN 11 10.753 -15.575 19.024 78 HB3 GLN 11 3HB GLN 11 9.409 -15.308 17.921 79 HG2 GLN 11 2HG GLN 11 8.562 -17.118 18.934 80 HG3 GLN 11 3HG GLN 11 9.589 -17.986 17.795 81 HE21 GLN 11 1HE2 GLN 11 11.899 -18.279 18.623 82 HE22 GLN 11 2HE2 GLN 11 12.050 -18.803 20.263 83 HA PRO 12 HA PRO 12 9.808 -16.474 13.038 84 HB2 PRO 12 2HB PRO 12 11.488 -18.173 11.750 85 HB3 PRO 12 3HB PRO 12 11.820 -16.446 11.930 86 HG2 PRO 12 2HG PRO 12 12.876 -18.753 13.519 87 HG3 PRO 12 3HG PRO 12 13.738 -17.331 12.904 88 HD2 PRO 12 2HD PRO 12 12.924 -17.540 15.478 89 HD3 PRO 12 3HD PRO 12 13.004 -15.985 14.625 90 H TYR 13 H TYR 13 7.991 -17.641 13.074 91 HA TYR 13 HA TYR 13 8.180 -20.520 13.670 92 HB2 TYR 13 2HB TYR 13 6.605 -18.604 14.897 93 HB3 TYR 13 3HB TYR 13 5.496 -19.371 13.766 94 HD1 TYR 13 HD1 TYR 13 4.349 -21.244 14.474 95 HD2 TYR 13 HD2 TYR 13 8.074 -20.311 16.305 96 HE1 TYR 13 HE1 TYR 13 4.044 -23.119 16.037 97 HE2 TYR 13 HE2 TYR 13 7.781 -22.183 17.871 98 HH TYR 13 HH TYR 13 4.807 -23.857 18.198 Start of MODEL 5 1 H1 LEU 1 H LEU 1 4.873 -10.961 5.925 2 HA LEU 1 HA LEU 1 4.716 -9.343 4.219 3 HB2 LEU 1 2HB LEU 1 1.946 -10.144 4.479 4 HB3 LEU 1 3HB LEU 1 2.104 -8.397 4.308 5 HG LEU 1 HG LEU 1 3.672 -9.140 2.284 6 HD11 LEU 1 1HD1 LEU 1 3.557 -11.465 2.423 7 HD12 LEU 1 2HD1 LEU 1 2.403 -11.058 1.154 8 HD13 LEU 1 3HD1 LEU 1 1.829 -11.453 2.774 9 HD21 LEU 1 1HD2 LEU 1 1.574 -9.018 0.853 10 HD22 LEU 1 2HD2 LEU 1 1.889 -7.652 1.924 11 HD23 LEU 1 3HD2 LEU 1 0.682 -8.860 2.366 12 H GLY 2 H GLY 2 5.840 -7.815 5.275 13 HA2 GLY 2 2HA GLY 2 4.576 -6.421 7.528 14 HA3 GLY 2 3HA GLY 2 6.286 -6.382 7.120 15 H GLN 3 H GLN 3 5.892 -5.825 4.317 16 HA GLN 3 HA GLN 3 5.732 -4.046 2.910 17 HB2 GLN 3 2HB GLN 3 3.337 -3.830 4.623 18 HB3 GLN 3 3HB GLN 3 3.798 -2.355 3.782 19 HG2 GLN 3 2HG GLN 3 3.643 -3.443 1.657 20 HG3 GLN 3 3HG GLN 3 3.390 -5.009 2.427 21 HE21 GLN 3 1HE2 GLN 3 1.549 -4.650 0.753 22 HE22 GLN 3 2HE2 GLN 3 0.075 -4.041 1.417 23 H GLN 4 H GLN 4 7.865 -3.568 4.001 24 HA GLN 4 HA GLN 4 8.069 -0.801 4.484 25 HB2 GLN 4 2HB GLN 4 7.117 -1.565 6.686 26 HB3 GLN 4 3HB GLN 4 8.591 -2.492 6.931 27 HG2 GLN 4 2HG GLN 4 9.907 -0.450 6.867 28 HG3 GLN 4 3HG GLN 4 8.446 0.493 6.574 29 HE21 GLN 4 1HE2 GLN 4 10.584 -0.374 8.872 30 HE22 GLN 4 2HE2 GLN 4 9.599 -0.210 10.281 31 H GLN 5 H GLN 5 9.469 -1.673 2.676 32 HA GLN 5 HA GLN 5 11.507 -2.207 1.806 33 HB2 GLN 5 2HB GLN 5 11.887 -0.158 3.434 34 HB3 GLN 5 3HB GLN 5 12.828 -1.338 4.338 35 HG2 GLN 5 2HG GLN 5 14.022 -1.800 2.122 36 HG3 GLN 5 3HG GLN 5 13.294 -0.291 1.573 37 HE21 GLN 5 1HE2 GLN 5 15.562 -1.751 3.770 38 HE22 GLN 5 2HE2 GLN 5 16.392 -0.297 4.198 39 H ALA 6 H ALA 6 10.316 -4.420 2.787 40 HA ALA 6 HA ALA 6 10.739 -6.581 3.368 41 HB1 ALA 6 1HB ALA 6 12.850 -5.977 1.980 42 HB2 ALA 6 2HB ALA 6 13.667 -6.011 3.543 43 HB3 ALA 6 3HB ALA 6 12.837 -7.450 2.950 44 H PHE 7 H PHE 7 9.704 -5.867 5.415 45 HA PHE 7 HA PHE 7 11.020 -5.061 7.700 46 HB2 PHE 7 2HB PHE 7 9.130 -5.749 8.912 47 HB3 PHE 7 3HB PHE 7 8.502 -5.424 7.300 48 HD1 PHE 7 HD1 PHE 7 8.200 -7.570 9.924 49 HD2 PHE 7 HD2 PHE 7 8.817 -7.654 5.714 50 HE1 PHE 7 HE1 PHE 7 7.266 -9.845 9.836 51 HE2 PHE 7 HE2 PHE 7 7.884 -9.928 5.619 52 HZ PHE 7 HZ PHE 7 7.105 -11.026 7.681 53 HA PRO 8 HA PRO 8 13.534 -8.372 9.099 54 HB2 PRO 8 2HB PRO 8 13.243 -8.188 11.792 55 HB3 PRO 8 3HB PRO 8 14.163 -7.014 10.843 56 HG2 PRO 8 2HG PRO 8 11.361 -6.831 11.882 57 HG3 PRO 8 3HG PRO 8 12.633 -5.595 11.869 58 HD2 PRO 8 2HD PRO 8 10.629 -5.642 10.049 59 HD3 PRO 8 3HD PRO 8 12.258 -5.052 9.661 60 HA PRO 9 HA PRO 9 11.254 -12.040 9.924 61 HB2 PRO 9 2HB PRO 9 12.921 -13.432 11.552 62 HB3 PRO 9 3HB PRO 9 13.239 -13.193 9.830 63 HG2 PRO 9 2HG PRO 9 14.357 -11.720 12.184 64 HG3 PRO 9 3HG PRO 9 15.188 -12.300 10.729 65 HD2 PRO 9 2HD PRO 9 14.438 -9.718 11.047 66 HD3 PRO 9 3HD PRO 9 14.481 -10.511 9.459 67 H GLN 10 H GLN 10 10.074 -13.242 11.508 68 HA GLN 10 HA GLN 10 10.153 -12.810 14.265 69 HB2 GLN 10 2HB GLN 10 9.459 -10.561 13.922 70 HB3 GLN 10 3HB GLN 10 8.234 -11.042 12.757 71 HG2 GLN 10 2HG GLN 10 6.772 -11.752 14.374 72 HG3 GLN 10 3HG GLN 10 8.051 -12.059 15.548 73 HE21 GLN 10 1HE2 GLN 10 8.170 -10.671 17.149 74 HE22 GLN 10 2HE2 GLN 10 7.625 -9.032 17.125 75 H GLN 11 H GLN 11 9.821 -15.043 14.182 76 HA GLN 11 HA GLN 11 7.090 -15.858 14.280 77 HB2 GLN 11 2HB GLN 11 7.815 -15.816 11.762 78 HB3 GLN 11 3HB GLN 11 8.646 -17.310 12.174 79 HG2 GLN 11 2HG GLN 11 6.586 -18.344 12.831 80 HG3 GLN 11 3HG GLN 11 5.713 -16.826 12.629 81 HE21 GLN 11 1HE2 GLN 11 4.335 -17.310 11.034 82 HE22 GLN 11 2HE2 GLN 11 4.796 -17.855 9.461 83 HA PRO 12 HA PRO 12 10.157 -18.274 16.797 84 HB2 PRO 12 2HB PRO 12 8.821 -17.977 19.141 85 HB3 PRO 12 3HB PRO 12 9.998 -16.798 18.551 86 HG2 PRO 12 2HG PRO 12 7.009 -16.733 18.395 87 HG3 PRO 12 3HG PRO 12 8.137 -15.425 18.798 88 HD2 PRO 12 2HD PRO 12 7.017 -15.679 16.346 89 HD3 PRO 12 3HD PRO 12 8.644 -15.012 16.588 90 H TYR 13 H TYR 13 9.348 -20.087 15.559 91 HA TYR 13 HA TYR 13 6.929 -21.367 16.590 92 HB2 TYR 13 2HB TYR 13 7.556 -21.089 14.069 93 HB3 TYR 13 3HB TYR 13 8.597 -22.479 14.358 94 HD1 TYR 13 HD1 TYR 13 5.152 -21.315 14.045 95 HD2 TYR 13 HD2 TYR 13 7.635 -24.666 14.885 96 HE1 TYR 13 HE1 TYR 13 3.230 -22.814 13.717 97 HE2 TYR 13 HE2 TYR 13 5.720 -26.174 14.558 98 HH TYR 13 HH TYR 13 2.756 -25.114 13.198 Start of MODEL 6 1 H1 LEU 1 H LEU 1 9.276 1.570 -1.955 2 HA LEU 1 HA LEU 1 8.272 -1.103 -1.671 3 HB2 LEU 1 2HB LEU 1 8.034 1.446 -0.150 4 HB3 LEU 1 3HB LEU 1 6.861 0.167 0.156 5 HG LEU 1 HG LEU 1 8.970 -1.316 0.517 6 HD11 LEU 1 1HD1 LEU 1 10.972 -0.323 0.950 7 HD12 LEU 1 2HD1 LEU 1 10.238 1.200 1.450 8 HD13 LEU 1 3HD1 LEU 1 10.355 0.798 -0.263 9 HD21 LEU 1 1HD2 LEU 1 8.180 0.795 2.523 10 HD22 LEU 1 2HD2 LEU 1 8.967 -0.743 2.879 11 HD23 LEU 1 3HD2 LEU 1 7.323 -0.720 2.237 12 H GLY 2 H GLY 2 6.014 -1.680 -1.565 13 HA2 GLY 2 2HA GLY 2 3.998 0.085 -2.570 14 HA3 GLY 2 3HA GLY 2 4.532 -1.058 -3.794 15 H GLN 3 H GLN 3 3.075 -0.763 -0.600 16 HA GLN 3 HA GLN 3 1.618 -2.087 0.538 17 HB2 GLN 3 2HB GLN 3 1.114 -2.729 -2.299 18 HB3 GLN 3 3HB GLN 3 0.541 -3.925 -1.143 19 HG2 GLN 3 2HG GLN 3 -0.817 -2.297 -0.035 20 HG3 GLN 3 3HG GLN 3 -0.132 -0.997 -1.009 21 HE21 GLN 3 1HE2 GLN 3 -2.354 -3.645 -0.912 22 HE22 GLN 3 2HE2 GLN 3 -3.143 -3.312 -2.412 23 H GLN 4 H GLN 4 3.745 -2.875 1.444 24 HA GLN 4 HA GLN 4 3.649 -5.672 1.764 25 HB2 GLN 4 2HB GLN 4 4.680 -5.526 -0.528 26 HB3 GLN 4 3HB GLN 4 6.057 -4.720 0.212 27 HG2 GLN 4 2HG GLN 4 6.402 -6.715 1.635 28 HG3 GLN 4 3HG GLN 4 5.097 -7.517 0.763 29 HE21 GLN 4 1HE2 GLN 4 8.279 -6.067 0.414 30 HE22 GLN 4 2HE2 GLN 4 8.745 -6.976 -0.979 31 H GLN 5 H GLN 5 3.553 -4.526 3.865 32 HA GLN 5 HA GLN 5 5.571 -3.047 5.011 33 HB2 GLN 5 2HB GLN 5 3.236 -4.294 5.896 34 HB3 GLN 5 3HB GLN 5 4.508 -4.969 6.905 35 HG2 GLN 5 2HG GLN 5 4.745 -3.083 8.058 36 HG3 GLN 5 3HG GLN 5 4.723 -2.088 6.603 37 HE21 GLN 5 1HE2 GLN 5 2.533 -1.823 5.598 38 HE22 GLN 5 2HE2 GLN 5 1.201 -1.581 6.671 39 H ALA 6 H ALA 6 5.212 -6.591 5.152 40 HA ALA 6 HA ALA 6 6.735 -8.263 5.417 41 HB1 ALA 6 1HB ALA 6 8.772 -8.076 4.357 42 HB2 ALA 6 2HB ALA 6 7.843 -6.802 3.564 43 HB3 ALA 6 3HB ALA 6 8.990 -6.394 4.840 44 H PHE 7 H PHE 7 6.105 -7.999 7.720 45 HA PHE 7 HA PHE 7 7.474 -6.537 9.616 46 HB2 PHE 7 2HB PHE 7 6.546 -7.960 11.238 47 HB3 PHE 7 3HB PHE 7 5.415 -8.058 9.892 48 HD1 PHE 7 HD1 PHE 7 6.284 -9.966 8.099 49 HD2 PHE 7 HD2 PHE 7 6.878 -9.946 12.314 50 HE1 PHE 7 HE1 PHE 7 6.527 -12.415 8.073 51 HE2 PHE 7 HE2 PHE 7 7.123 -12.393 12.295 52 HZ PHE 7 HZ PHE 7 6.948 -13.631 10.173 53 HA PRO 8 HA PRO 8 11.517 -8.196 9.999 54 HB2 PRO 8 2HB PRO 8 11.938 -8.011 12.675 55 HB3 PRO 8 3HB PRO 8 11.900 -6.602 11.608 56 HG2 PRO 8 2HG PRO 8 9.752 -7.691 13.386 57 HG3 PRO 8 3HG PRO 8 10.242 -6.007 13.126 58 HD2 PRO 8 2HD PRO 8 8.072 -7.094 11.926 59 HD3 PRO 8 3HD PRO 8 9.057 -5.834 11.157 60 HA PRO 9 HA PRO 9 11.537 -12.449 11.115 61 HB2 PRO 9 2HB PRO 9 14.040 -12.799 12.107 62 HB3 PRO 9 3HB PRO 9 13.715 -12.542 10.388 63 HG2 PRO 9 2HG PRO 9 14.626 -10.581 12.458 64 HG3 PRO 9 3HG PRO 9 15.188 -10.788 10.789 65 HD2 PRO 9 2HD PRO 9 13.446 -8.844 11.509 66 HD3 PRO 9 3HD PRO 9 13.408 -9.617 9.911 67 H GLN 10 H GLN 10 11.211 -13.865 12.812 68 HA GLN 10 HA GLN 10 11.998 -13.494 15.464 69 HB2 GLN 10 2HB GLN 10 10.583 -11.587 15.606 70 HB3 GLN 10 3HB GLN 10 9.266 -12.416 14.787 71 HG2 GLN 10 2HG GLN 10 8.521 -13.358 16.669 72 HG3 GLN 10 3HG GLN 10 10.146 -13.720 17.250 73 HE21 GLN 10 1HE2 GLN 10 9.259 -13.075 19.324 74 HE22 GLN 10 2HE2 GLN 10 9.224 -11.399 19.741 75 H GLN 11 H GLN 11 12.351 -15.709 15.223 76 HA GLN 11 HA GLN 11 9.931 -17.340 15.516 77 HB2 GLN 11 2HB GLN 11 12.000 -17.551 13.418 78 HB3 GLN 11 3HB GLN 11 11.531 -19.068 14.174 79 HG2 GLN 11 2HG GLN 11 9.144 -18.449 13.672 80 HG3 GLN 11 3HG GLN 11 9.780 -17.127 12.695 81 HE21 GLN 11 1HE2 GLN 11 8.399 -18.491 11.160 82 HE22 GLN 11 2HE2 GLN 11 9.249 -19.686 10.247 83 HA PRO 12 HA PRO 12 13.085 -18.185 18.817 84 HB2 PRO 12 2HB PRO 12 11.303 -18.111 20.864 85 HB3 PRO 12 3HB PRO 12 12.110 -16.668 20.239 86 HG2 PRO 12 2HG PRO 12 9.359 -17.699 19.665 87 HG3 PRO 12 3HG PRO 12 9.887 -16.036 19.978 88 HD2 PRO 12 2HD PRO 12 9.407 -16.965 17.481 89 HD3 PRO 12 3HD PRO 12 10.641 -15.735 17.821 90 H TYR 13 H TYR 13 13.540 -20.188 19.554 91 HA TYR 13 HA TYR 13 11.637 -22.312 18.954 92 HB2 TYR 13 2HB TYR 13 14.246 -22.221 18.453 93 HB3 TYR 13 3HB TYR 13 14.338 -22.884 20.081 94 HD1 TYR 13 HD1 TYR 13 13.021 -25.019 20.571 95 HD2 TYR 13 HD2 TYR 13 13.776 -23.610 16.627 96 HE1 TYR 13 HE1 TYR 13 12.564 -27.268 19.686 97 HE2 TYR 13 HE2 TYR 13 13.321 -25.855 15.732 98 HH TYR 13 HH TYR 13 11.729 -28.161 17.269 Start of MODEL 7 1 H1 LEU 1 H LEU 1 6.205 4.143 -3.344 2 HA LEU 1 HA LEU 1 3.677 2.978 -3.089 3 HB2 LEU 1 2HB LEU 1 5.167 2.337 -5.599 4 HB3 LEU 1 3HB LEU 1 4.161 1.109 -4.835 5 HG LEU 1 HG LEU 1 2.263 2.809 -4.991 6 HD11 LEU 1 1HD1 LEU 1 4.421 4.203 -6.467 7 HD12 LEU 1 2HD1 LEU 1 3.096 4.857 -5.506 8 HD13 LEU 1 3HD1 LEU 1 2.793 4.274 -7.142 9 HD21 LEU 1 1HD2 LEU 1 3.459 1.680 -7.520 10 HD22 LEU 1 2HD2 LEU 1 1.786 2.198 -7.312 11 HD23 LEU 1 3HD2 LEU 1 2.405 0.823 -6.396 12 H GLY 2 H GLY 2 4.422 2.319 -1.109 13 HA2 GLY 2 2HA GLY 2 6.898 1.030 -0.662 14 HA3 GLY 2 3HA GLY 2 5.526 1.028 0.436 15 H GLN 3 H GLN 3 3.943 -0.623 0.244 16 HA GLN 3 HA GLN 3 3.244 -2.769 -0.030 17 HB2 GLN 3 2HB GLN 3 4.438 -2.061 -2.635 18 HB3 GLN 3 3HB GLN 3 4.269 -3.784 -2.328 19 HG2 GLN 3 2HG GLN 3 1.910 -3.561 -2.003 20 HG3 GLN 3 3HG GLN 3 2.020 -1.804 -2.082 21 HE21 GLN 3 1HE2 GLN 3 0.648 -3.978 -3.715 22 HE22 GLN 3 2HE2 GLN 3 1.042 -3.574 -5.348 23 H GLN 4 H GLN 4 4.815 -3.040 1.821 24 HA GLN 4 HA GLN 4 6.265 -5.430 1.476 25 HB2 GLN 4 2HB GLN 4 7.838 -3.797 0.381 26 HB3 GLN 4 3HB GLN 4 8.017 -3.016 1.946 27 HG2 GLN 4 2HG GLN 4 8.503 -5.692 2.465 28 HG3 GLN 4 3HG GLN 4 9.279 -5.399 0.910 29 HE21 GLN 4 1HE2 GLN 4 11.215 -4.482 0.905 30 HE22 GLN 4 2HE2 GLN 4 11.969 -3.717 2.258 31 H GLN 5 H GLN 5 4.705 -5.665 3.247 32 HA GLN 5 HA GLN 5 4.712 -4.306 5.641 33 HB2 GLN 5 2HB GLN 5 3.548 -6.644 4.656 34 HB3 GLN 5 3HB GLN 5 4.436 -7.159 6.084 35 HG2 GLN 5 2HG GLN 5 2.735 -6.471 7.312 36 HG3 GLN 5 3HG GLN 5 3.122 -4.817 6.839 37 HE21 GLN 5 1HE2 GLN 5 1.321 -7.676 5.805 38 HE22 GLN 5 2HE2 GLN 5 0.045 -6.809 5.028 39 H ALA 6 H ALA 6 6.469 -7.356 5.043 40 HA ALA 6 HA ALA 6 8.411 -8.185 5.896 41 HB1 ALA 6 1HB ALA 6 10.201 -6.734 6.256 42 HB2 ALA 6 2HB ALA 6 9.183 -5.871 5.102 43 HB3 ALA 6 3HB ALA 6 9.153 -5.427 6.808 44 H PHE 7 H PHE 7 6.893 -9.143 7.492 45 HA PHE 7 HA PHE 7 6.306 -8.121 9.985 46 HB2 PHE 7 2HB PHE 7 5.794 -10.314 10.654 47 HB3 PHE 7 3HB PHE 7 5.565 -10.339 8.908 48 HD1 PHE 7 HD1 PHE 7 6.736 -12.214 11.496 49 HD2 PHE 7 HD2 PHE 7 7.977 -10.830 7.667 50 HE1 PHE 7 HE1 PHE 7 8.303 -14.103 11.325 51 HE2 PHE 7 HE2 PHE 7 9.546 -12.717 7.489 52 HZ PHE 7 HZ PHE 7 9.710 -14.357 9.319 53 HA PRO 8 HA PRO 8 10.017 -7.925 12.317 54 HB2 PRO 8 2HB PRO 8 9.156 -8.652 14.787 55 HB3 PRO 8 3HB PRO 8 8.756 -7.097 14.049 56 HG2 PRO 8 2HG PRO 8 7.111 -9.593 14.218 57 HG3 PRO 8 3HG PRO 8 6.618 -7.908 14.471 58 HD2 PRO 8 2HD PRO 8 6.137 -9.236 12.161 59 HD3 PRO 8 3HD PRO 8 6.444 -7.488 12.212 60 HA PRO 9 HA PRO 9 11.991 -11.831 12.748 61 HB2 PRO 9 2HB PRO 9 13.607 -11.454 14.896 62 HB3 PRO 9 3HB PRO 9 13.907 -10.702 13.325 63 HG2 PRO 9 2HG PRO 9 12.639 -9.534 15.772 64 HG3 PRO 9 3HG PRO 9 13.824 -8.808 14.671 65 HD2 PRO 9 2HD PRO 9 11.180 -8.238 14.546 66 HD3 PRO 9 3HD PRO 9 12.223 -8.255 13.109 67 H GLN 10 H GLN 10 12.028 -13.780 13.911 68 HA GLN 10 HA GLN 10 11.222 -14.135 16.560 69 HB2 GLN 10 2HB GLN 10 9.039 -13.384 15.985 70 HB3 GLN 10 3HB GLN 10 9.014 -14.355 14.519 71 HG2 GLN 10 2HG GLN 10 9.407 -15.969 16.893 72 HG3 GLN 10 3HG GLN 10 7.919 -15.026 16.959 73 HE21 GLN 10 1HE2 GLN 10 6.938 -14.993 14.534 74 HE22 GLN 10 2HE2 GLN 10 6.657 -16.582 13.918 75 H GLN 11 H GLN 11 12.924 -15.608 16.442 76 HA GLN 11 HA GLN 11 13.043 -17.726 14.563 77 HB2 GLN 11 2HB GLN 11 14.545 -16.854 16.913 78 HB3 GLN 11 3HB GLN 11 14.478 -18.604 16.752 79 HG2 GLN 11 2HG GLN 11 16.128 -18.487 15.290 80 HG3 GLN 11 3HG GLN 11 15.050 -17.623 14.194 81 HE21 GLN 11 1HE2 GLN 11 15.741 -15.728 13.532 82 HE22 GLN 11 2HE2 GLN 11 16.870 -14.708 14.349 83 HA PRO 12 HA PRO 12 10.381 -20.796 16.211 84 HB2 PRO 12 2HB PRO 12 11.813 -23.074 15.847 85 HB3 PRO 12 3HB PRO 12 11.077 -22.179 14.512 86 HG2 PRO 12 2HG PRO 12 13.911 -22.152 15.476 87 HG3 PRO 12 3HG PRO 12 13.295 -22.198 13.814 88 HD2 PRO 12 2HD PRO 12 14.189 -19.921 14.975 89 HD3 PRO 12 3HD PRO 12 12.884 -19.930 13.771 90 H TYR 13 H TYR 13 9.920 -21.039 18.299 91 HA TYR 13 HA TYR 13 12.026 -21.354 20.262 92 HB2 TYR 13 2HB TYR 13 10.080 -19.850 20.652 93 HB3 TYR 13 3HB TYR 13 9.030 -21.263 20.672 94 HD1 TYR 13 HD1 TYR 13 11.638 -19.426 22.490 95 HD2 TYR 13 HD2 TYR 13 8.991 -22.756 22.571 96 HE1 TYR 13 HE1 TYR 13 12.059 -19.695 24.898 97 HE2 TYR 13 HE2 TYR 13 9.403 -23.033 24.979 98 HH TYR 13 HH TYR 13 10.193 -21.855 26.860 Start of MODEL 8 1 H1 LEU 1 H LEU 1 8.728 -1.557 -4.168 2 HA LEU 1 HA LEU 1 7.491 -2.161 -1.639 3 HB2 LEU 1 2HB LEU 1 8.613 0.206 -2.980 4 HB3 LEU 1 3HB LEU 1 7.284 0.530 -1.869 5 HG LEU 1 HG LEU 1 8.658 -0.822 -0.162 6 HD11 LEU 1 1HD1 LEU 1 10.589 -0.494 -2.401 7 HD12 LEU 1 2HD1 LEU 1 10.371 -1.840 -1.283 8 HD13 LEU 1 3HD1 LEU 1 11.180 -0.368 -0.744 9 HD21 LEU 1 1HD2 LEU 1 9.184 1.163 0.714 10 HD22 LEU 1 2HD2 LEU 1 8.457 1.857 -0.736 11 HD23 LEU 1 3HD2 LEU 1 10.201 1.600 -0.659 12 H GLY 2 H GLY 2 5.419 -2.777 -1.647 13 HA2 GLY 2 2HA GLY 2 3.412 -0.937 -2.581 14 HA3 GLY 2 3HA GLY 2 3.483 -2.415 -3.530 15 H GLN 3 H GLN 3 2.913 -1.100 -0.316 16 HA GLN 3 HA GLN 3 1.658 -1.836 1.432 17 HB2 GLN 3 2HB GLN 3 0.404 -3.081 -0.933 18 HB3 GLN 3 3HB GLN 3 0.018 -3.835 0.608 19 HG2 GLN 3 2HG GLN 3 -0.851 -1.780 1.469 20 HG3 GLN 3 3HG GLN 3 -0.302 -0.899 0.045 21 HE21 GLN 3 1HE2 GLN 3 -2.995 -1.517 1.341 22 HE22 GLN 3 2HE2 GLN 3 -3.974 -2.035 0.015 23 H GLN 4 H GLN 4 3.853 -2.710 2.054 24 HA GLN 4 HA GLN 4 3.557 -5.279 3.168 25 HB2 GLN 4 2HB GLN 4 3.997 -5.888 0.765 26 HB3 GLN 4 3HB GLN 4 5.589 -5.160 0.937 27 HG2 GLN 4 2HG GLN 4 6.215 -6.771 2.593 28 HG3 GLN 4 3HG GLN 4 4.580 -7.428 2.636 29 HE21 GLN 4 1HE2 GLN 4 5.715 -9.453 2.218 30 HE22 GLN 4 2HE2 GLN 4 6.085 -9.879 0.585 31 H GLN 5 H GLN 5 4.104 -3.668 4.840 32 HA GLN 5 HA GLN 5 6.470 -2.282 5.070 33 HB2 GLN 5 2HB GLN 5 6.065 -2.155 7.390 34 HB3 GLN 5 3HB GLN 5 4.473 -2.290 6.653 35 HG2 GLN 5 2HG GLN 5 4.616 -4.770 7.119 36 HG3 GLN 5 3HG GLN 5 6.025 -4.403 8.113 37 HE21 GLN 5 1HE2 GLN 5 5.355 -2.147 9.387 38 HE22 GLN 5 2HE2 GLN 5 3.967 -2.390 10.387 39 H ALA 6 H ALA 6 5.889 -5.701 5.488 40 HA ALA 6 HA ALA 6 7.296 -7.477 5.712 41 HB1 ALA 6 1HB ALA 6 8.496 -6.128 3.884 42 HB2 ALA 6 2HB ALA 6 9.627 -5.675 5.160 43 HB3 ALA 6 3HB ALA 6 9.409 -7.373 4.737 44 H PHE 7 H PHE 7 6.668 -7.239 8.018 45 HA PHE 7 HA PHE 7 8.116 -5.925 9.964 46 HB2 PHE 7 2HB PHE 7 7.084 -7.329 11.539 47 HB3 PHE 7 3HB PHE 7 5.959 -7.314 10.184 48 HD1 PHE 7 HD1 PHE 7 7.282 -9.362 12.557 49 HD2 PHE 7 HD2 PHE 7 6.709 -9.224 8.341 50 HE1 PHE 7 HE1 PHE 7 7.366 -11.820 12.468 51 HE2 PHE 7 HE2 PHE 7 6.791 -11.681 8.246 52 HZ PHE 7 HZ PHE 7 7.119 -12.982 10.311 53 HA PRO 8 HA PRO 8 12.038 -7.857 10.321 54 HB2 PRO 8 2HB PRO 8 12.450 -7.777 13.003 55 HB3 PRO 8 3HB PRO 8 12.513 -6.339 11.978 56 HG2 PRO 8 2HG PRO 8 10.284 -7.335 13.711 57 HG3 PRO 8 3HG PRO 8 10.886 -5.680 13.504 58 HD2 PRO 8 2HD PRO 8 8.658 -6.587 12.260 59 HD3 PRO 8 3HD PRO 8 9.730 -5.372 11.533 60 HA PRO 9 HA PRO 9 11.770 -12.133 11.312 61 HB2 PRO 9 2HB PRO 9 14.237 -12.675 12.307 62 HB3 PRO 9 3HB PRO 9 13.942 -12.347 10.595 63 HG2 PRO 9 2HG PRO 9 14.965 -10.511 12.727 64 HG3 PRO 9 3HG PRO 9 15.525 -10.707 11.056 65 HD2 PRO 9 2HD PRO 9 13.909 -8.674 11.822 66 HD3 PRO 9 3HD PRO 9 13.832 -9.396 10.202 67 H GLN 10 H GLN 10 11.309 -13.558 12.961 68 HA GLN 10 HA GLN 10 12.110 -13.338 15.626 69 HB2 GLN 10 2HB GLN 10 10.855 -11.326 15.826 70 HB3 GLN 10 3HB GLN 10 9.479 -12.017 14.977 71 HG2 GLN 10 2HG GLN 10 8.765 -13.200 16.804 72 HG3 GLN 10 3HG GLN 10 10.372 -13.268 17.524 73 HE21 GLN 10 1HE2 GLN 10 7.387 -11.716 17.511 74 HE22 GLN 10 2HE2 GLN 10 7.783 -10.396 18.553 75 H GLN 11 H GLN 11 12.282 -15.567 15.299 76 HA GLN 11 HA GLN 11 9.879 -17.041 15.893 77 HB2 GLN 11 2HB GLN 11 9.763 -16.902 13.442 78 HB3 GLN 11 3HB GLN 11 11.375 -17.597 13.325 79 HG2 GLN 11 2HG GLN 11 10.227 -19.501 13.023 80 HG3 GLN 11 3HG GLN 11 10.174 -19.496 14.785 81 HE21 GLN 11 1HE2 GLN 11 8.320 -20.836 13.201 82 HE22 GLN 11 2HE2 GLN 11 6.775 -20.088 13.403 83 HA PRO 12 HA PRO 12 13.831 -18.661 17.720 84 HB2 PRO 12 2HB PRO 12 12.884 -18.776 20.262 85 HB3 PRO 12 3HB PRO 12 13.615 -17.321 19.574 86 HG2 PRO 12 2HG PRO 12 10.721 -18.015 19.899 87 HG3 PRO 12 3HG PRO 12 11.543 -16.475 20.207 88 HD2 PRO 12 2HD PRO 12 10.118 -16.941 17.952 89 HD3 PRO 12 3HD PRO 12 11.547 -15.888 17.978 90 H TYR 13 H TYR 13 13.601 -20.669 16.739 91 HA TYR 13 HA TYR 13 11.959 -22.600 18.235 92 HB2 TYR 13 2HB TYR 13 10.830 -22.194 16.132 93 HB3 TYR 13 3HB TYR 13 12.323 -22.450 15.236 94 HD1 TYR 13 HD1 TYR 13 13.109 -24.660 14.742 95 HD2 TYR 13 HD2 TYR 13 9.668 -24.101 17.182 96 HE1 TYR 13 HE1 TYR 13 12.573 -27.051 14.524 97 HE2 TYR 13 HE2 TYR 13 9.124 -26.491 16.972 98 HH TYR 13 HH TYR 13 11.003 -28.626 14.879 Start of MODEL 9 1 H1 LEU 1 H LEU 1 5.558 -0.060 3.519 2 HA LEU 1 HA LEU 1 4.007 -1.932 3.455 3 HB2 LEU 1 2HB LEU 1 3.228 0.783 3.216 4 HB3 LEU 1 3HB LEU 1 2.101 -0.182 2.264 5 HG LEU 1 HG LEU 1 2.615 -1.234 4.953 6 HD11 LEU 1 1HD1 LEU 1 0.954 1.254 4.772 7 HD12 LEU 1 2HD1 LEU 1 2.667 1.318 5.184 8 HD13 LEU 1 3HD1 LEU 1 1.548 0.415 6.205 9 HD21 LEU 1 1HD2 LEU 1 0.476 -1.961 4.770 10 HD22 LEU 1 2HD2 LEU 1 0.804 -1.722 3.053 11 HD23 LEU 1 3HD2 LEU 1 -0.074 -0.491 3.964 12 H GLY 2 H GLY 2 2.409 -3.116 2.210 13 HA2 GLY 2 2HA GLY 2 1.533 -4.046 0.277 14 HA3 GLY 2 3HA GLY 2 2.308 -2.768 -0.648 15 H GLN 3 H GLN 3 3.674 -5.222 1.531 16 HA GLN 3 HA GLN 3 5.278 -6.804 1.220 17 HB2 GLN 3 2HB GLN 3 3.788 -6.773 -1.329 18 HB3 GLN 3 3HB GLN 3 5.391 -7.494 -1.402 19 HG2 GLN 3 2HG GLN 3 4.821 -9.089 0.287 20 HG3 GLN 3 3HG GLN 3 3.275 -8.295 0.579 21 HE21 GLN 3 1HE2 GLN 3 4.982 -9.280 -2.370 22 HE22 GLN 3 2HE2 GLN 3 3.691 -10.235 -3.005 23 H GLN 4 H GLN 4 6.662 -4.842 1.666 24 HA GLN 4 HA GLN 4 8.918 -4.884 -0.020 25 HB2 GLN 4 2HB GLN 4 7.360 -3.470 -1.403 26 HB3 GLN 4 3HB GLN 4 7.396 -2.278 -0.110 27 HG2 GLN 4 2HG GLN 4 10.070 -2.832 -0.660 28 HG3 GLN 4 3HG GLN 4 9.279 -2.743 -2.233 29 HE21 GLN 4 1HE2 GLN 4 9.501 -0.809 -3.076 30 HE22 GLN 4 2HE2 GLN 4 9.403 0.694 -2.230 31 H GLN 5 H GLN 5 9.755 -5.330 2.081 32 HA GLN 5 HA GLN 5 10.989 -3.169 3.334 33 HB2 GLN 5 2HB GLN 5 8.319 -3.380 4.123 34 HB3 GLN 5 3HB GLN 5 9.230 -4.108 5.439 35 HG2 GLN 5 2HG GLN 5 9.984 -2.141 6.148 36 HG3 GLN 5 3HG GLN 5 10.397 -1.614 4.517 37 HE21 GLN 5 1HE2 GLN 5 8.909 -0.455 6.949 38 HE22 GLN 5 2HE2 GLN 5 7.496 0.248 6.246 39 H ALA 6 H ALA 6 9.653 -6.403 3.781 40 HA ALA 6 HA ALA 6 10.568 -8.335 4.564 41 HB1 ALA 6 1HB ALA 6 12.436 -7.529 3.018 42 HB2 ALA 6 2HB ALA 6 13.268 -7.026 4.490 43 HB3 ALA 6 3HB ALA 6 12.854 -8.723 4.247 44 H PHE 7 H PHE 7 9.429 -7.654 6.567 45 HA PHE 7 HA PHE 7 10.562 -6.324 8.701 46 HB2 PHE 7 2HB PHE 7 8.899 -7.286 10.054 47 HB3 PHE 7 3HB PHE 7 8.187 -7.285 8.443 48 HD1 PHE 7 HD1 PHE 7 8.960 -9.542 7.077 49 HD2 PHE 7 HD2 PHE 7 8.439 -9.152 11.284 50 HE1 PHE 7 HE1 PHE 7 8.567 -11.965 7.250 51 HE2 PHE 7 HE2 PHE 7 8.046 -11.574 11.463 52 HZ PHE 7 HZ PHE 7 8.110 -12.984 9.445 53 HA PRO 8 HA PRO 8 13.788 -8.810 10.334 54 HB2 PRO 8 2HB PRO 8 13.504 -8.400 13.002 55 HB3 PRO 8 3HB PRO 8 14.116 -7.161 11.900 56 HG2 PRO 8 2HG PRO 8 11.364 -7.501 13.027 57 HG3 PRO 8 3HG PRO 8 12.319 -6.019 12.835 58 HD2 PRO 8 2HD PRO 8 10.351 -6.717 11.111 59 HD3 PRO 8 3HD PRO 8 11.795 -5.821 10.599 60 HA PRO 9 HA PRO 9 12.418 -12.783 11.625 61 HB2 PRO 9 2HB PRO 9 14.385 -13.575 13.320 62 HB3 PRO 9 3HB PRO 9 14.613 -13.462 11.571 63 HG2 PRO 9 2HG PRO 9 15.401 -11.525 13.713 64 HG3 PRO 9 3HG PRO 9 16.321 -12.059 12.294 65 HD2 PRO 9 2HD PRO 9 15.006 -9.694 12.372 66 HD3 PRO 9 3HD PRO 9 15.204 -10.627 10.875 67 H GLN 10 H GLN 10 11.003 -13.586 13.062 68 HA GLN 10 HA GLN 10 11.167 -13.394 15.842 69 HB2 GLN 10 2HB GLN 10 10.743 -11.058 15.695 70 HB3 GLN 10 3HB GLN 10 9.454 -11.294 14.523 71 HG2 GLN 10 2HG GLN 10 7.923 -11.820 16.099 72 HG3 GLN 10 3HG GLN 10 9.107 -12.591 17.152 73 HE21 GLN 10 1HE2 GLN 10 9.662 -11.537 18.919 74 HE22 GLN 10 2HE2 GLN 10 9.436 -9.849 19.208 75 H GLN 11 H GLN 11 10.565 -15.555 15.603 76 HA GLN 11 HA GLN 11 7.727 -16.010 15.583 77 HB2 GLN 11 2HB GLN 11 8.653 -16.057 13.123 78 HB3 GLN 11 3HB GLN 11 9.230 -17.652 13.585 79 HG2 GLN 11 2HG GLN 11 7.237 -18.419 12.999 80 HG3 GLN 11 3HG GLN 11 6.604 -17.628 14.441 81 HE21 GLN 11 1HE2 GLN 11 7.550 -16.774 11.127 82 HE22 GLN 11 2HE2 GLN 11 6.185 -15.762 10.816 83 HA PRO 12 HA PRO 12 10.365 -18.800 18.234 84 HB2 PRO 12 2HB PRO 12 9.075 -18.234 20.555 85 HB3 PRO 12 3HB PRO 12 10.438 -17.281 19.957 86 HG2 PRO 12 2HG PRO 12 7.504 -16.720 19.761 87 HG3 PRO 12 3HG PRO 12 8.832 -15.611 20.153 88 HD2 PRO 12 2HD PRO 12 7.709 -15.726 17.692 89 HD3 PRO 12 3HD PRO 12 9.422 -15.336 17.942 90 H TYR 13 H TYR 13 9.809 -20.874 18.540 91 HA TYR 13 HA TYR 13 7.030 -21.636 18.129 92 HB2 TYR 13 2HB TYR 13 9.342 -22.723 17.211 93 HB3 TYR 13 3HB TYR 13 9.047 -23.739 18.618 94 HD1 TYR 13 HD1 TYR 13 8.326 -23.252 15.195 95 HD2 TYR 13 HD2 TYR 13 6.636 -24.734 18.807 96 HE1 TYR 13 HE1 TYR 13 6.716 -24.577 13.891 97 HE2 TYR 13 HE2 TYR 13 5.021 -26.064 17.513 98 HH TYR 13 HH TYR 13 4.227 -26.538 15.492 Start of MODEL 10 1 H1 LEU 1 H LEU 1 5.656 3.195 -5.356 2 HA LEU 1 HA LEU 1 4.514 2.779 -2.672 3 HB2 LEU 1 2HB LEU 1 3.335 2.547 -5.400 4 HB3 LEU 1 3HB LEU 1 2.732 1.501 -4.117 5 HG LEU 1 HG LEU 1 2.829 4.292 -3.311 6 HD11 LEU 1 1HD1 LEU 1 1.279 3.528 -5.769 7 HD12 LEU 1 2HD1 LEU 1 2.382 4.885 -5.545 8 HD13 LEU 1 3HD1 LEU 1 0.817 4.878 -4.733 9 HD21 LEU 1 1HD2 LEU 1 0.283 2.829 -3.528 10 HD22 LEU 1 2HD2 LEU 1 0.980 3.704 -2.164 11 HD23 LEU 1 3HD2 LEU 1 1.522 2.066 -2.532 12 H GLY 2 H GLY 2 6.163 1.379 -2.000 13 HA2 GLY 2 2HA GLY 2 6.800 -0.967 -3.569 14 HA3 GLY 2 3HA GLY 2 7.444 -0.561 -1.985 15 H GLN 3 H GLN 3 5.286 -0.391 -0.395 16 HA GLN 3 HA GLN 3 3.829 -1.629 0.836 17 HB2 GLN 3 2HB GLN 3 3.176 -2.314 -1.960 18 HB3 GLN 3 3HB GLN 3 2.607 -3.459 -0.752 19 HG2 GLN 3 2HG GLN 3 1.365 -1.753 0.373 20 HG3 GLN 3 3HG GLN 3 2.058 -0.504 -0.660 21 HE21 GLN 3 1HE2 GLN 3 1.825 -1.414 -3.130 22 HE22 GLN 3 2HE2 GLN 3 0.177 -1.719 -3.547 23 H GLN 4 H GLN 4 5.961 -2.483 1.669 24 HA GLN 4 HA GLN 4 5.767 -5.266 2.060 25 HB2 GLN 4 2HB GLN 4 6.702 -5.213 -0.276 26 HB3 GLN 4 3HB GLN 4 8.141 -4.448 0.384 27 HG2 GLN 4 2HG GLN 4 7.862 -6.646 1.986 28 HG3 GLN 4 3HG GLN 4 7.314 -7.242 0.420 29 HE21 GLN 4 1HE2 GLN 4 9.988 -6.093 2.273 30 HE22 GLN 4 2HE2 GLN 4 11.219 -6.445 1.113 31 H GLN 5 H GLN 5 5.800 -3.728 4.040 32 HA GLN 5 HA GLN 5 8.069 -2.507 5.011 33 HB2 GLN 5 2HB GLN 5 7.137 -3.151 7.310 34 HB3 GLN 5 3HB GLN 5 6.104 -2.196 6.255 35 HG2 GLN 5 2HG GLN 5 4.744 -4.039 5.738 36 HG3 GLN 5 3HG GLN 5 5.911 -5.185 6.396 37 HE21 GLN 5 1HE2 GLN 5 4.761 -6.137 7.962 38 HE22 GLN 5 2HE2 GLN 5 4.040 -5.312 9.298 39 H ALA 6 H ALA 6 7.235 -5.923 5.018 40 HA ALA 6 HA ALA 6 8.461 -7.797 5.424 41 HB1 ALA 6 1HB ALA 6 10.460 -5.797 4.610 42 HB2 ALA 6 2HB ALA 6 11.092 -7.190 5.489 43 HB3 ALA 6 3HB ALA 6 10.169 -7.428 4.005 44 H PHE 7 H PHE 7 7.444 -7.573 7.596 45 HA PHE 7 HA PHE 7 8.614 -6.435 9.818 46 HB2 PHE 7 2HB PHE 7 7.222 -7.800 11.128 47 HB3 PHE 7 3HB PHE 7 6.359 -7.658 9.600 48 HD1 PHE 7 HD1 PHE 7 7.100 -9.871 12.077 49 HD2 PHE 7 HD2 PHE 7 7.276 -9.565 7.836 50 HE1 PHE 7 HE1 PHE 7 7.022 -12.324 11.900 51 HE2 PHE 7 HE2 PHE 7 7.197 -12.017 7.652 52 HZ PHE 7 HZ PHE 7 7.069 -13.400 9.685 53 HA PRO 8 HA PRO 8 12.262 -8.677 10.771 54 HB2 PRO 8 2HB PRO 8 12.198 -8.709 13.485 55 HB3 PRO 8 3HB PRO 8 12.544 -7.250 12.549 56 HG2 PRO 8 2HG PRO 8 9.978 -8.119 13.822 57 HG3 PRO 8 3HG PRO 8 10.724 -6.511 13.794 58 HD2 PRO 8 2HD PRO 8 8.693 -7.204 12.143 59 HD3 PRO 8 3HD PRO 8 9.961 -6.056 11.667 60 HA PRO 9 HA PRO 9 11.518 -12.946 11.516 61 HB2 PRO 9 2HB PRO 9 13.724 -13.708 12.902 62 HB3 PRO 9 3HB PRO 9 13.761 -13.308 11.180 63 HG2 PRO 9 2HG PRO 9 14.520 -11.621 13.534 64 HG3 PRO 9 3HG PRO 9 15.351 -11.811 11.979 65 HD2 PRO 9 2HD PRO 9 13.775 -9.681 12.539 66 HD3 PRO 9 3HD PRO 9 13.934 -10.347 10.901 67 H GLN 10 H GLN 10 11.054 -14.566 13.119 68 HA GLN 10 HA GLN 10 11.232 -14.204 15.882 69 HB2 GLN 10 2HB GLN 10 9.712 -12.380 15.730 70 HB3 GLN 10 3HB GLN 10 8.651 -13.264 14.640 71 HG2 GLN 10 2HG GLN 10 7.687 -14.461 16.318 72 HG3 GLN 10 3HG GLN 10 9.123 -14.398 17.339 73 HE21 GLN 10 1HE2 GLN 10 9.490 -12.583 18.619 74 HE22 GLN 10 2HE2 GLN 10 8.240 -11.446 18.977 75 H GLN 11 H GLN 11 11.757 -16.392 15.699 76 HA GLN 11 HA GLN 11 9.428 -18.158 15.474 77 HB2 GLN 11 2HB GLN 11 11.877 -18.207 13.824 78 HB3 GLN 11 3HB GLN 11 11.356 -19.765 14.453 79 HG2 GLN 11 2HG GLN 11 9.016 -18.763 13.512 80 HG3 GLN 11 3HG GLN 11 10.174 -18.075 12.375 81 HE21 GLN 11 1HE2 GLN 11 11.883 -19.759 11.670 82 HE22 GLN 11 2HE2 GLN 11 11.246 -21.289 11.182 83 HA PRO 12 HA PRO 12 11.914 -18.912 19.322 84 HB2 PRO 12 2HB PRO 12 9.764 -18.982 20.977 85 HB3 PRO 12 3HB PRO 12 10.593 -17.483 20.543 86 HG2 PRO 12 2HG PRO 12 8.073 -18.646 19.423 87 HG3 PRO 12 3HG PRO 12 8.433 -16.964 19.856 88 HD2 PRO 12 2HD PRO 12 8.507 -17.858 17.302 89 HD3 PRO 12 3HD PRO 12 9.578 -16.572 17.895 90 H TYR 13 H TYR 13 11.758 -20.757 20.812 91 HA TYR 13 HA TYR 13 10.941 -23.132 19.400 92 HB2 TYR 13 2HB TYR 13 13.059 -22.783 20.864 93 HB3 TYR 13 3HB TYR 13 11.983 -23.109 22.218 94 HD1 TYR 13 HD1 TYR 13 10.811 -25.321 22.345 95 HD2 TYR 13 HD2 TYR 13 13.876 -24.539 19.499 96 HE1 TYR 13 HE1 TYR 13 11.096 -27.739 21.996 97 HE2 TYR 13 HE2 TYR 13 14.169 -26.955 19.142 98 HH TYR 13 HH TYR 13 13.285 -29.222 21.096 Start of MODEL 11 1 H1 LEU 1 H LEU 1 1.112 -1.424 2.753 2 HA LEU 1 HA LEU 1 3.253 -2.846 3.593 3 HB2 LEU 1 2HB LEU 1 0.834 -3.689 4.999 4 HB3 LEU 1 3HB LEU 1 1.692 -5.013 4.213 5 HG LEU 1 HG LEU 1 3.769 -4.024 5.453 6 HD11 LEU 1 1HD1 LEU 1 3.060 -3.119 7.689 7 HD12 LEU 1 2HD1 LEU 1 1.455 -2.881 7.000 8 HD13 LEU 1 3HD1 LEU 1 2.840 -2.025 6.323 9 HD21 LEU 1 1HD2 LEU 1 3.582 -5.799 6.815 10 HD22 LEU 1 2HD2 LEU 1 2.134 -6.148 5.869 11 HD23 LEU 1 3HD2 LEU 1 1.998 -5.305 7.413 12 H GLY 2 H GLY 2 3.872 -3.401 1.609 13 HA2 GLY 2 2HA GLY 2 2.205 -5.235 0.077 14 HA3 GLY 2 3HA GLY 2 2.562 -3.694 -0.689 15 H GLN 3 H GLN 3 4.564 -5.869 1.292 16 HA GLN 3 HA GLN 3 6.574 -6.857 0.901 17 HB2 GLN 3 2HB GLN 3 5.203 -6.949 -1.712 18 HB3 GLN 3 3HB GLN 3 6.949 -7.151 -1.770 19 HG2 GLN 3 2HG GLN 3 6.844 -9.040 -0.306 20 HG3 GLN 3 3HG GLN 3 5.125 -8.779 -0.019 21 HE21 GLN 3 1HE2 GLN 3 7.517 -9.989 -2.199 22 HE22 GLN 3 2HE2 GLN 3 6.430 -10.752 -3.304 23 H GLN 4 H GLN 4 7.296 -4.645 1.644 24 HA GLN 4 HA GLN 4 9.499 -3.811 0.100 25 HB2 GLN 4 2HB GLN 4 7.621 -2.758 -1.205 26 HB3 GLN 4 3HB GLN 4 7.269 -1.778 0.212 27 HG2 GLN 4 2HG GLN 4 9.722 -1.039 0.058 28 HG3 GLN 4 3HG GLN 4 9.667 -1.702 -1.574 29 HE21 GLN 4 1HE2 GLN 4 10.240 0.842 -1.482 30 HE22 GLN 4 2HE2 GLN 4 8.896 1.838 -1.913 31 H GLN 5 H GLN 5 10.083 -4.440 2.359 32 HA GLN 5 HA GLN 5 10.860 -2.216 3.847 33 HB2 GLN 5 2HB GLN 5 8.171 -2.816 4.292 34 HB3 GLN 5 3HB GLN 5 9.012 -3.498 5.677 35 HG2 GLN 5 2HG GLN 5 9.390 -1.497 6.563 36 HG3 GLN 5 3HG GLN 5 9.942 -0.830 5.028 37 HE21 GLN 5 1HE2 GLN 5 7.090 -1.591 6.935 38 HE22 GLN 5 2HE2 GLN 5 6.059 -0.412 6.206 39 H ALA 6 H ALA 6 9.997 -5.622 3.893 40 HA ALA 6 HA ALA 6 11.081 -7.462 4.681 41 HB1 ALA 6 1HB ALA 6 13.433 -7.462 4.761 42 HB2 ALA 6 2HB ALA 6 13.008 -6.285 3.518 43 HB3 ALA 6 3HB ALA 6 13.502 -5.737 5.120 44 H PHE 7 H PHE 7 9.554 -7.149 6.509 45 HA PHE 7 HA PHE 7 10.115 -5.875 8.889 46 HB2 PHE 7 2HB PHE 7 8.442 -7.196 9.876 47 HB3 PHE 7 3HB PHE 7 7.996 -7.150 8.174 48 HD1 PHE 7 HD1 PHE 7 8.094 -9.216 10.877 49 HD2 PHE 7 HD2 PHE 7 9.340 -9.129 6.808 50 HE1 PHE 7 HE1 PHE 7 8.077 -11.676 10.822 51 HE2 PHE 7 HE2 PHE 7 9.323 -11.588 6.746 52 HZ PHE 7 HZ PHE 7 8.690 -12.865 8.755 53 HA PRO 8 HA PRO 8 13.413 -7.995 10.859 54 HB2 PRO 8 2HB PRO 8 12.661 -7.886 13.465 55 HB3 PRO 8 3HB PRO 8 13.226 -6.471 12.568 56 HG2 PRO 8 2HG PRO 8 10.425 -7.322 13.195 57 HG3 PRO 8 3HG PRO 8 11.145 -5.703 13.268 58 HD2 PRO 8 2HD PRO 8 9.604 -6.520 11.197 59 HD3 PRO 8 3HD PRO 8 10.945 -5.375 10.996 60 HA PRO 9 HA PRO 9 12.524 -12.232 11.626 61 HB2 PRO 9 2HB PRO 9 14.310 -12.879 13.566 62 HB3 PRO 9 3HB PRO 9 14.781 -12.569 11.891 63 HG2 PRO 9 2HG PRO 9 14.908 -10.747 14.263 64 HG3 PRO 9 3HG PRO 9 16.108 -11.002 12.982 65 HD2 PRO 9 2HD PRO 9 14.431 -8.876 13.005 66 HD3 PRO 9 3HD PRO 9 15.005 -9.624 11.500 67 H GLN 10 H GLN 10 10.748 -12.982 12.584 68 HA GLN 10 HA GLN 10 10.499 -13.405 15.332 69 HB2 GLN 10 2HB GLN 10 10.212 -11.065 15.656 70 HB3 GLN 10 3HB GLN 10 9.106 -10.941 14.295 71 HG2 GLN 10 2HG GLN 10 7.345 -11.861 15.468 72 HG3 GLN 10 3HG GLN 10 8.402 -12.653 16.635 73 HE21 GLN 10 1HE2 GLN 10 6.157 -11.075 17.283 74 HE22 GLN 10 2HE2 GLN 10 6.713 -9.690 18.153 75 H GLN 11 H GLN 11 9.843 -15.409 14.525 76 HA GLN 11 HA GLN 11 7.186 -15.449 13.255 77 HB2 GLN 11 2HB GLN 11 7.916 -17.848 12.625 78 HB3 GLN 11 3HB GLN 11 8.600 -16.498 11.730 79 HG2 GLN 11 2HG GLN 11 10.681 -16.849 12.516 80 HG3 GLN 11 3HG GLN 11 10.112 -17.372 14.101 81 HE21 GLN 11 1HE2 GLN 11 12.139 -18.559 12.400 82 HE22 GLN 11 2HE2 GLN 11 11.626 -20.179 12.089 83 HA PRO 12 HA PRO 12 5.457 -17.536 16.704 84 HB2 PRO 12 2HB PRO 12 3.725 -19.252 15.510 85 HB3 PRO 12 3HB PRO 12 3.452 -17.507 15.582 86 HG2 PRO 12 2HG PRO 12 4.536 -19.164 13.336 87 HG3 PRO 12 3HG PRO 12 3.360 -17.837 13.282 88 HD2 PRO 12 2HD PRO 12 5.968 -17.500 12.637 89 HD3 PRO 12 3HD PRO 12 4.995 -16.216 13.385 90 H TYR 13 H TYR 13 5.859 -19.260 17.996 91 HA TYR 13 HA TYR 13 7.663 -21.293 16.991 92 HB2 TYR 13 2HB TYR 13 7.584 -19.992 19.348 93 HB3 TYR 13 3HB TYR 13 6.669 -21.432 19.782 94 HD1 TYR 13 HD1 TYR 13 9.835 -20.512 18.016 95 HD2 TYR 13 HD2 TYR 13 7.843 -23.238 20.604 96 HE1 TYR 13 HE1 TYR 13 11.939 -21.748 18.323 97 HE2 TYR 13 HE2 TYR 13 9.941 -24.481 20.920 98 HH TYR 13 HH TYR 13 12.810 -23.405 20.423 Start of MODEL 12 1 H1 LEU 1 H LEU 1 7.940 -2.200 0.423 2 HA LEU 1 HA LEU 1 6.447 0.223 -0.253 3 HB2 LEU 1 2HB LEU 1 9.037 -0.415 -1.251 4 HB3 LEU 1 3HB LEU 1 7.878 -0.561 -2.570 5 HG LEU 1 HG LEU 1 7.227 1.856 -1.384 6 HD11 LEU 1 1HD1 LEU 1 10.222 1.530 -1.477 7 HD12 LEU 1 2HD1 LEU 1 9.237 1.859 -0.052 8 HD13 LEU 1 3HD1 LEU 1 9.375 3.070 -1.327 9 HD21 LEU 1 1HD2 LEU 1 9.143 1.670 -3.675 10 HD22 LEU 1 2HD2 LEU 1 7.773 2.758 -3.446 11 HD23 LEU 1 3HD2 LEU 1 7.496 1.060 -3.834 12 H GLY 2 H GLY 2 4.579 -0.235 -1.228 13 HA2 GLY 2 2HA GLY 2 3.138 -1.322 -2.722 14 HA3 GLY 2 3HA GLY 2 4.344 -2.582 -2.934 15 H GLN 3 H GLN 3 3.024 -1.390 0.118 16 HA GLN 3 HA GLN 3 1.884 -2.424 1.792 17 HB2 GLN 3 2HB GLN 3 0.726 -3.555 -0.677 18 HB3 GLN 3 3HB GLN 3 0.449 -4.494 0.784 19 HG2 GLN 3 2HG GLN 3 -0.616 -2.637 1.852 20 HG3 GLN 3 3HG GLN 3 -0.187 -1.567 0.519 21 HE21 GLN 3 1HE2 GLN 3 -2.792 -2.453 1.724 22 HE22 GLN 3 2HE2 GLN 3 -3.729 -2.992 0.376 23 H GLN 4 H GLN 4 4.169 -3.117 2.309 24 HA GLN 4 HA GLN 4 4.163 -5.802 3.161 25 HB2 GLN 4 2HB GLN 4 4.623 -6.119 0.707 26 HB3 GLN 4 3HB GLN 4 6.133 -5.248 0.940 27 HG2 GLN 4 2HG GLN 4 7.124 -7.128 1.529 28 HG3 GLN 4 3HG GLN 4 6.022 -7.281 2.897 29 HE21 GLN 4 1HE2 GLN 4 6.144 -7.840 -0.602 30 HE22 GLN 4 2HE2 GLN 4 5.234 -9.308 -0.573 31 H GLN 5 H GLN 5 4.530 -4.080 4.887 32 HA GLN 5 HA GLN 5 6.850 -2.628 5.197 33 HB2 GLN 5 2HB GLN 5 6.375 -2.540 7.516 34 HB3 GLN 5 3HB GLN 5 4.817 -2.655 6.708 35 HG2 GLN 5 2HG GLN 5 4.435 -4.224 8.264 36 HG3 GLN 5 3HG GLN 5 5.302 -5.259 7.130 37 HE21 GLN 5 1HE2 GLN 5 5.047 -5.540 9.993 38 HE22 GLN 5 2HE2 GLN 5 6.650 -5.508 10.638 39 H ALA 6 H ALA 6 6.352 -6.060 5.554 40 HA ALA 6 HA ALA 6 7.797 -7.798 5.823 41 HB1 ALA 6 1HB ALA 6 10.113 -5.942 5.427 42 HB2 ALA 6 2HB ALA 6 9.935 -7.627 4.934 43 HB3 ALA 6 3HB ALA 6 9.050 -6.361 4.084 44 H PHE 7 H PHE 7 7.051 -7.617 8.098 45 HA PHE 7 HA PHE 7 8.362 -6.293 10.132 46 HB2 PHE 7 2HB PHE 7 7.296 -7.752 11.633 47 HB3 PHE 7 3HB PHE 7 6.240 -7.748 10.225 48 HD1 PHE 7 HD1 PHE 7 7.525 -9.793 12.628 49 HD2 PHE 7 HD2 PHE 7 7.117 -9.606 8.395 50 HE1 PHE 7 HE1 PHE 7 7.686 -12.245 12.508 51 HE2 PHE 7 HE2 PHE 7 7.277 -12.058 8.269 52 HZ PHE 7 HZ PHE 7 7.561 -13.381 10.326 53 HA PRO 8 HA PRO 8 12.318 -8.116 10.654 54 HB2 PRO 8 2HB PRO 8 12.596 -8.067 13.354 55 HB3 PRO 8 3HB PRO 8 12.665 -6.611 12.355 56 HG2 PRO 8 2HG PRO 8 10.385 -7.700 13.961 57 HG3 PRO 8 3HG PRO 8 10.947 -6.025 13.808 58 HD2 PRO 8 2HD PRO 8 8.811 -6.976 12.442 59 HD3 PRO 8 3HD PRO 8 9.880 -5.719 11.787 60 HA PRO 9 HA PRO 9 12.129 -12.413 11.568 61 HB2 PRO 9 2HB PRO 9 14.560 -12.899 12.675 62 HB3 PRO 9 3HB PRO 9 14.339 -12.553 10.956 63 HG2 PRO 9 2HG PRO 9 15.202 -10.722 13.162 64 HG3 PRO 9 3HG PRO 9 15.848 -10.875 11.518 65 HD2 PRO 9 2HD PRO 9 14.137 -8.902 12.234 66 HD3 PRO 9 3HD PRO 9 14.160 -9.600 10.602 67 H GLN 10 H GLN 10 10.692 -12.982 13.107 68 HA GLN 10 HA GLN 10 11.647 -13.119 15.862 69 HB2 GLN 10 2HB GLN 10 9.332 -12.324 16.613 70 HB3 GLN 10 3HB GLN 10 10.455 -11.103 16.031 71 HG2 GLN 10 2HG GLN 10 9.340 -11.175 13.831 72 HG3 GLN 10 3HG GLN 10 8.172 -12.317 14.494 73 HE21 GLN 10 1HE2 GLN 10 6.338 -11.186 14.516 74 HE22 GLN 10 2HE2 GLN 10 6.114 -9.670 15.313 75 H GLN 11 H GLN 11 11.784 -15.368 14.988 76 HA GLN 11 HA GLN 11 9.281 -16.767 15.577 77 HB2 GLN 11 2HB GLN 11 10.757 -16.798 13.018 78 HB3 GLN 11 3HB GLN 11 10.263 -18.372 13.626 79 HG2 GLN 11 2HG GLN 11 8.184 -16.299 13.689 80 HG3 GLN 11 3HG GLN 11 8.730 -16.776 12.082 81 HE21 GLN 11 1HE2 GLN 11 7.023 -17.714 14.921 82 HE22 GLN 11 2HE2 GLN 11 6.431 -19.225 14.329 83 HA PRO 12 HA PRO 12 12.958 -18.522 17.804 84 HB2 PRO 12 2HB PRO 12 11.727 -18.645 20.221 85 HB3 PRO 12 3HB PRO 12 12.566 -17.200 19.642 86 HG2 PRO 12 2HG PRO 12 9.638 -17.823 19.629 87 HG3 PRO 12 3HG PRO 12 10.458 -16.308 20.051 88 HD2 PRO 12 2HD PRO 12 9.285 -16.709 17.643 89 HD3 PRO 12 3HD PRO 12 10.728 -15.694 17.846 90 H TYR 13 H TYR 13 13.175 -20.636 17.464 91 HA TYR 13 HA TYR 13 11.035 -22.421 17.082 92 HB2 TYR 13 2HB TYR 13 13.542 -22.571 16.349 93 HB3 TYR 13 3HB TYR 13 13.758 -23.375 17.900 94 HD1 TYR 13 HD1 TYR 13 13.265 -25.652 18.135 95 HD2 TYR 13 HD2 TYR 13 11.816 -23.546 14.734 96 HE1 TYR 13 HE1 TYR 13 12.525 -27.777 17.142 97 HE2 TYR 13 HE2 TYR 13 11.071 -25.665 13.732 98 HH TYR 13 HH TYR 13 10.469 -28.262 15.157 Start of MODEL 13 1 H1 LEU 1 H LEU 1 5.422 0.535 5.828 2 HA LEU 1 HA LEU 1 7.140 -1.756 5.135 3 HB2 LEU 1 2HB LEU 1 7.405 -0.430 7.421 4 HB3 LEU 1 3HB LEU 1 6.074 -1.484 7.892 5 HG LEU 1 HG LEU 1 7.896 -3.224 6.764 6 HD11 LEU 1 1HD1 LEU 1 9.433 -1.338 8.533 7 HD12 LEU 1 2HD1 LEU 1 9.524 -1.310 6.773 8 HD13 LEU 1 3HD1 LEU 1 10.039 -2.745 7.659 9 HD21 LEU 1 1HD2 LEU 1 8.382 -3.752 9.216 10 HD22 LEU 1 2HD2 LEU 1 6.703 -3.840 8.682 11 HD23 LEU 1 3HD2 LEU 1 7.268 -2.438 9.592 12 H GLY 2 H GLY 2 6.015 -3.414 4.373 13 HA2 GLY 2 2HA GLY 2 4.166 -4.979 5.328 14 HA3 GLY 2 3HA GLY 2 3.150 -3.584 4.997 15 H GLN 3 H GLN 3 4.607 -6.377 3.715 16 HA GLN 3 HA GLN 3 4.487 -7.400 1.688 17 HB2 GLN 3 2HB GLN 3 2.153 -5.593 1.724 18 HB3 GLN 3 3HB GLN 3 2.656 -6.142 0.130 19 HG2 GLN 3 2HG GLN 3 2.394 -8.433 0.766 20 HG3 GLN 3 3HG GLN 3 2.092 -7.980 2.443 21 HE21 GLN 3 1HE2 GLN 3 0.050 -8.102 2.993 22 HE22 GLN 3 2HE2 GLN 3 -1.309 -7.813 1.967 23 H GLN 4 H GLN 4 6.669 -6.315 1.517 24 HA GLN 4 HA GLN 4 7.011 -5.304 -1.089 25 HB2 GLN 4 2HB GLN 4 6.087 -3.263 0.059 26 HB3 GLN 4 3HB GLN 4 7.525 -3.259 1.072 27 HG2 GLN 4 2HG GLN 4 8.824 -2.416 -0.548 28 HG3 GLN 4 3HG GLN 4 8.046 -3.367 -1.812 29 HE21 GLN 4 1HE2 GLN 4 8.749 -0.393 -1.247 30 HE22 GLN 4 2HE2 GLN 4 7.327 0.437 -1.770 31 H GLN 5 H GLN 5 8.284 -7.336 -0.419 32 HA GLN 5 HA GLN 5 10.266 -8.365 0.036 33 HB2 GLN 5 2HB GLN 5 10.774 -6.492 -1.761 34 HB3 GLN 5 3HB GLN 5 11.720 -5.804 -0.448 35 HG2 GLN 5 2HG GLN 5 13.350 -7.071 -1.321 36 HG3 GLN 5 3HG GLN 5 12.593 -8.340 -0.359 37 HE21 GLN 5 1HE2 GLN 5 11.944 -6.786 -3.488 38 HE22 GLN 5 2HE2 GLN 5 11.785 -8.258 -4.377 39 H ALA 6 H ALA 6 9.161 -7.860 2.348 40 HA ALA 6 HA ALA 6 11.259 -7.703 4.175 41 HB1 ALA 6 1HB ALA 6 10.015 -5.113 3.505 42 HB2 ALA 6 2HB ALA 6 10.246 -5.446 5.222 43 HB3 ALA 6 3HB ALA 6 11.626 -5.476 4.124 44 H PHE 7 H PHE 7 9.895 -9.580 4.630 45 HA PHE 7 HA PHE 7 7.267 -9.543 5.466 46 HB2 PHE 7 2HB PHE 7 7.642 -11.659 6.413 47 HB3 PHE 7 3HB PHE 7 8.854 -11.544 5.141 48 HD1 PHE 7 HD1 PHE 7 8.364 -12.626 8.350 49 HD2 PHE 7 HD2 PHE 7 11.108 -10.308 6.067 50 HE1 PHE 7 HE1 PHE 7 10.129 -13.100 9.997 51 HE2 PHE 7 HE2 PHE 7 12.878 -10.778 7.710 52 HZ PHE 7 HZ PHE 7 12.390 -12.177 9.678 53 HA PRO 8 HA PRO 8 7.068 -7.484 9.334 54 HB2 PRO 8 2HB PRO 8 5.213 -8.964 10.653 55 HB3 PRO 8 3HB PRO 8 4.806 -7.889 9.310 56 HG2 PRO 8 2HG PRO 8 5.206 -10.856 9.307 57 HG3 PRO 8 3HG PRO 8 3.956 -9.895 8.495 58 HD2 PRO 8 2HD PRO 8 6.131 -10.853 7.197 59 HD3 PRO 8 3HD PRO 8 5.353 -9.320 6.754 60 HA PRO 9 HA PRO 9 9.572 -9.364 12.420 61 HB2 PRO 9 2HB PRO 9 8.495 -8.421 14.727 62 HB3 PRO 9 3HB PRO 9 9.421 -7.407 13.614 63 HG2 PRO 9 2HG PRO 9 6.454 -7.667 13.916 64 HG3 PRO 9 3HG PRO 9 7.433 -6.204 13.699 65 HD2 PRO 9 2HD PRO 9 6.076 -7.364 11.663 66 HD3 PRO 9 3HD PRO 9 7.614 -6.511 11.422 67 H GLN 10 H GLN 10 9.690 -11.332 13.312 68 HA GLN 10 HA GLN 10 7.831 -12.470 15.057 69 HB2 GLN 10 2HB GLN 10 6.285 -12.674 13.260 70 HB3 GLN 10 3HB GLN 10 7.525 -13.279 12.170 71 HG2 GLN 10 2HG GLN 10 7.497 -15.386 13.082 72 HG3 GLN 10 3HG GLN 10 6.873 -14.822 14.632 73 HE21 GLN 10 1HE2 GLN 10 5.825 -14.598 11.245 74 HE22 GLN 10 2HE2 GLN 10 4.217 -15.162 11.529 75 H GLN 11 H GLN 11 9.753 -12.996 16.108 76 HA GLN 11 HA GLN 11 11.820 -14.518 14.872 77 HB2 GLN 11 2HB GLN 11 11.290 -13.348 17.488 78 HB3 GLN 11 3HB GLN 11 12.082 -14.914 17.604 79 HG2 GLN 11 2HG GLN 11 13.989 -13.824 17.311 80 HG3 GLN 11 3HG GLN 11 13.504 -13.631 15.627 81 HE21 GLN 11 1HE2 GLN 11 13.346 -12.118 18.805 82 HE22 GLN 11 2HE2 GLN 11 13.264 -10.492 18.228 83 HA PRO 12 HA PRO 12 10.437 -18.654 15.323 84 HB2 PRO 12 2HB PRO 12 12.695 -19.950 16.092 85 HB3 PRO 12 3HB PRO 12 12.455 -19.326 14.455 86 HG2 PRO 12 2HG PRO 12 13.982 -18.128 16.735 87 HG3 PRO 12 3HG PRO 12 14.428 -18.232 15.022 88 HD2 PRO 12 2HD PRO 12 13.430 -15.974 16.133 89 HD3 PRO 12 3HD PRO 12 13.123 -16.423 14.443 90 H TYR 13 H TYR 13 9.585 -20.055 16.806 91 HA TYR 13 HA TYR 13 10.191 -19.509 19.639 92 HB2 TYR 13 2HB TYR 13 7.809 -19.023 18.482 93 HB3 TYR 13 3HB TYR 13 7.572 -20.709 18.930 94 HD1 TYR 13 HD1 TYR 13 8.142 -21.317 21.405 95 HD2 TYR 13 HD2 TYR 13 7.377 -17.360 20.041 96 HE1 TYR 13 HE1 TYR 13 7.604 -20.635 23.706 97 HE2 TYR 13 HE2 TYR 13 6.838 -16.667 22.338 98 HH TYR 13 HH TYR 13 5.938 -18.284 24.584 Start of MODEL 14 1 H1 LEU 1 H LEU 1 6.861 -7.927 -2.146 2 HA LEU 1 HA LEU 1 6.745 -5.910 -0.897 3 HB2 LEU 1 2HB LEU 1 7.279 -4.893 -3.532 4 HB3 LEU 1 3HB LEU 1 5.949 -4.003 -2.795 5 HG LEU 1 HG LEU 1 7.504 -3.683 -0.791 6 HD11 LEU 1 1HD1 LEU 1 9.259 -5.099 -2.661 7 HD12 LEU 1 2HD1 LEU 1 9.368 -4.921 -0.911 8 HD13 LEU 1 3HD1 LEU 1 9.953 -3.635 -1.966 9 HD21 LEU 1 1HD2 LEU 1 8.829 -1.896 -2.145 10 HD22 LEU 1 2HD2 LEU 1 7.078 -1.756 -1.984 11 HD23 LEU 1 3HD2 LEU 1 7.779 -2.395 -3.472 12 H GLY 2 H GLY 2 4.850 -4.657 -0.267 13 HA2 GLY 2 2HA GLY 2 2.440 -4.335 -1.349 14 HA3 GLY 2 3HA GLY 2 2.411 -6.061 -1.022 15 H GLN 3 H GLN 3 2.932 -2.916 0.535 16 HA GLN 3 HA GLN 3 2.403 -2.143 2.607 17 HB2 GLN 3 2HB GLN 3 0.378 -4.224 2.075 18 HB3 GLN 3 3HB GLN 3 0.584 -3.788 3.766 19 HG2 GLN 3 2HG GLN 3 0.080 -1.496 3.304 20 HG3 GLN 3 3HG GLN 3 0.069 -1.802 1.568 21 HE21 GLN 3 1HE2 GLN 3 -1.543 -2.667 4.586 22 HE22 GLN 3 2HE2 GLN 3 -3.099 -2.938 3.886 23 H GLN 4 H GLN 4 4.677 -2.948 2.993 24 HA GLN 4 HA GLN 4 4.817 -4.182 5.521 25 HB2 GLN 4 2HB GLN 4 4.354 -6.190 4.075 26 HB3 GLN 4 3HB GLN 4 5.896 -5.897 3.282 27 HG2 GLN 4 2HG GLN 4 7.039 -6.173 5.436 28 HG3 GLN 4 3HG GLN 4 5.487 -6.517 6.198 29 HE21 GLN 4 1HE2 GLN 4 7.513 -7.593 3.496 30 HE22 GLN 4 2HE2 GLN 4 7.154 -9.273 3.670 31 H GLN 5 H GLN 5 5.907 -2.027 5.435 32 HA GLN 5 HA GLN 5 8.219 -1.437 4.064 33 HB2 GLN 5 2HB GLN 5 6.790 -0.310 6.181 34 HB3 GLN 5 3HB GLN 5 8.410 -0.554 6.820 35 HG2 GLN 5 2HG GLN 5 7.820 0.867 4.236 36 HG3 GLN 5 3HG GLN 5 8.017 1.676 5.790 37 HE21 GLN 5 1HE2 GLN 5 9.555 1.245 3.065 38 HE22 GLN 5 2HE2 GLN 5 11.192 1.114 3.602 39 H ALA 6 H ALA 6 7.941 -3.101 7.195 40 HA ALA 6 HA ALA 6 10.021 -4.897 6.738 41 HB1 ALA 6 1HB ALA 6 11.475 -3.584 8.649 42 HB2 ALA 6 2HB ALA 6 11.818 -3.579 6.919 43 HB3 ALA 6 3HB ALA 6 10.894 -2.261 7.638 44 H PHE 7 H PHE 7 8.229 -6.050 7.709 45 HA PHE 7 HA PHE 7 7.163 -5.651 10.221 46 HB2 PHE 7 2HB PHE 7 6.381 -7.865 10.131 47 HB3 PHE 7 3HB PHE 7 6.547 -7.406 8.440 48 HD1 PHE 7 HD1 PHE 7 6.989 -10.020 10.571 49 HD2 PHE 7 HD2 PHE 7 9.145 -7.839 7.618 50 HE1 PHE 7 HE1 PHE 7 8.436 -11.973 10.190 51 HE2 PHE 7 HE2 PHE 7 10.595 -9.789 7.232 52 HZ PHE 7 HZ PHE 7 10.241 -11.860 8.518 53 HA PRO 8 HA PRO 8 10.264 -6.519 13.200 54 HB2 PRO 8 2HB PRO 8 8.830 -7.756 15.145 55 HB3 PRO 8 3HB PRO 8 8.701 -6.026 14.810 56 HG2 PRO 8 2HG PRO 8 6.910 -8.262 13.943 57 HG3 PRO 8 3HG PRO 8 6.477 -6.656 14.555 58 HD2 PRO 8 2HD PRO 8 6.444 -7.267 11.917 59 HD3 PRO 8 3HD PRO 8 6.838 -5.643 12.516 60 HA PRO 9 HA PRO 9 11.848 -10.610 12.900 61 HB2 PRO 9 2HB PRO 9 12.963 -11.004 15.343 62 HB3 PRO 9 3HB PRO 9 13.652 -9.910 14.138 63 HG2 PRO 9 2HG PRO 9 11.943 -9.277 16.513 64 HG3 PRO 9 3HG PRO 9 13.387 -8.437 15.918 65 HD2 PRO 9 2HD PRO 9 10.878 -7.540 15.436 66 HD3 PRO 9 3HD PRO 9 12.212 -7.307 14.289 67 H GLN 10 H GLN 10 11.075 -12.633 13.053 68 HA GLN 10 HA GLN 10 10.017 -13.840 15.337 69 HB2 GLN 10 2HB GLN 10 8.135 -12.390 15.219 70 HB3 GLN 10 3HB GLN 10 7.976 -12.622 13.483 71 HG2 GLN 10 2HG GLN 10 6.817 -14.530 13.707 72 HG3 GLN 10 3HG GLN 10 7.766 -15.068 15.092 73 HE21 GLN 10 1HE2 GLN 10 4.798 -14.793 14.445 74 HE22 GLN 10 2HE2 GLN 10 4.149 -14.005 15.839 75 H GLN 11 H GLN 11 11.314 -15.505 14.536 76 HA GLN 11 HA GLN 11 10.476 -16.750 12.018 77 HB2 GLN 11 2HB GLN 11 13.000 -16.536 13.470 78 HB3 GLN 11 3HB GLN 11 12.657 -18.177 12.939 79 HG2 GLN 11 2HG GLN 11 12.880 -17.668 10.748 80 HG3 GLN 11 3HG GLN 11 12.268 -16.027 10.952 81 HE21 GLN 11 1HE2 GLN 11 13.781 -14.708 10.226 82 HE22 GLN 11 2HE2 GLN 11 15.456 -14.761 10.645 83 HA PRO 12 HA PRO 12 8.555 -20.205 13.917 84 HB2 PRO 12 2HB PRO 12 9.361 -22.265 12.344 85 HB3 PRO 12 3HB PRO 12 8.197 -21.047 11.809 86 HG2 PRO 12 2HG PRO 12 11.131 -21.240 11.246 87 HG3 PRO 12 3HG PRO 12 9.804 -20.831 10.143 88 HD2 PRO 12 2HD PRO 12 11.407 -18.952 11.253 89 HD3 PRO 12 3HD PRO 12 9.699 -18.649 10.877 90 H TYR 13 H TYR 13 8.878 -22.065 15.213 91 HA TYR 13 HA TYR 13 11.626 -22.319 16.208 92 HB2 TYR 13 2HB TYR 13 9.680 -21.722 17.752 93 HB3 TYR 13 3HB TYR 13 9.137 -23.383 17.539 94 HD1 TYR 13 HD1 TYR 13 11.222 -21.208 19.419 95 HD2 TYR 13 HD2 TYR 13 10.839 -25.243 18.124 96 HE1 TYR 13 HE1 TYR 13 12.729 -21.925 21.226 97 HE2 TYR 13 HE2 TYR 13 12.343 -25.971 19.929 98 HH TYR 13 HH TYR 13 14.299 -24.697 21.319 Start of MODEL 15 1 H1 LEU 1 H LEU 1 1.070 0.338 -1.138 2 HA LEU 1 HA LEU 1 3.496 -1.131 -0.740 3 HB2 LEU 1 2HB LEU 1 3.682 1.651 -1.305 4 HB3 LEU 1 3HB LEU 1 4.103 1.402 0.388 5 HG LEU 1 HG LEU 1 5.512 -0.556 -1.042 6 HD11 LEU 1 1HD1 LEU 1 5.476 0.357 -3.129 7 HD12 LEU 1 2HD1 LEU 1 6.852 1.229 -2.455 8 HD13 LEU 1 3HD1 LEU 1 5.270 2.003 -2.530 9 HD21 LEU 1 1HD2 LEU 1 5.996 1.093 0.992 10 HD22 LEU 1 2HD2 LEU 1 6.855 1.971 -0.274 11 HD23 LEU 1 3HD2 LEU 1 7.285 0.299 0.088 12 H GLY 2 H GLY 2 4.126 -1.209 1.548 13 HA2 GLY 2 2HA GLY 2 3.403 -0.328 3.817 14 HA3 GLY 2 3HA GLY 2 1.781 -0.735 3.277 15 H GLN 3 H GLN 3 4.725 -1.911 4.610 16 HA GLN 3 HA GLN 3 5.306 -3.893 5.560 17 HB2 GLN 3 2HB GLN 3 2.357 -3.865 5.693 18 HB3 GLN 3 3HB GLN 3 3.103 -5.449 5.860 19 HG2 GLN 3 2HG GLN 3 4.384 -4.718 7.743 20 HG3 GLN 3 3HG GLN 3 3.852 -3.052 7.516 21 HE21 GLN 3 1HE2 GLN 3 1.592 -2.587 7.840 22 HE22 GLN 3 2HE2 GLN 3 0.676 -3.532 8.958 23 H GLN 4 H GLN 4 6.267 -4.164 3.332 24 HA GLN 4 HA GLN 4 5.885 -6.816 2.462 25 HB2 GLN 4 2HB GLN 4 3.855 -5.724 1.452 26 HB3 GLN 4 3HB GLN 4 4.943 -4.748 0.473 27 HG2 GLN 4 2HG GLN 4 5.704 -7.460 0.175 28 HG3 GLN 4 3HG GLN 4 3.956 -7.357 -0.028 29 HE21 GLN 4 1HE2 GLN 4 3.554 -7.369 -2.121 30 HE22 GLN 4 2HE2 GLN 4 4.344 -6.398 -3.312 31 H GLN 5 H GLN 5 8.144 -6.696 2.846 32 HA GLN 5 HA GLN 5 9.723 -6.366 0.574 33 HB2 GLN 5 2HB GLN 5 9.159 -3.900 1.753 34 HB3 GLN 5 3HB GLN 5 10.783 -4.292 2.304 35 HG2 GLN 5 2HG GLN 5 10.945 -4.896 -0.342 36 HG3 GLN 5 3HG GLN 5 9.823 -3.536 -0.351 37 HE21 GLN 5 1HE2 GLN 5 10.522 -1.524 0.408 38 HE22 GLN 5 2HE2 GLN 5 12.200 -1.139 0.547 39 H ALA 6 H ALA 6 9.614 -6.252 4.093 40 HA ALA 6 HA ALA 6 11.255 -8.473 4.466 41 HB1 ALA 6 1HB ALA 6 12.694 -5.912 4.195 42 HB2 ALA 6 2HB ALA 6 13.174 -6.936 5.549 43 HB3 ALA 6 3HB ALA 6 13.243 -7.563 3.902 44 H PHE 7 H PHE 7 9.339 -8.605 5.848 45 HA PHE 7 HA PHE 7 8.705 -6.932 7.946 46 HB2 PHE 7 2HB PHE 7 7.439 -8.696 8.840 47 HB3 PHE 7 3HB PHE 7 7.497 -9.048 7.116 48 HD1 PHE 7 HD1 PHE 7 7.635 -10.522 10.194 49 HD2 PHE 7 HD2 PHE 7 9.768 -10.459 6.511 50 HE1 PHE 7 HE1 PHE 7 8.546 -12.754 10.687 51 HE2 PHE 7 HE2 PHE 7 10.681 -12.691 6.998 52 HZ PHE 7 HZ PHE 7 10.071 -13.842 9.088 53 HA PRO 8 HA PRO 8 11.869 -7.233 10.970 54 HB2 PRO 8 2HB PRO 8 10.440 -7.128 13.276 55 HB3 PRO 8 3HB PRO 8 10.665 -5.728 12.221 56 HG2 PRO 8 2HG PRO 8 8.323 -7.581 12.436 57 HG3 PRO 8 3HG PRO 8 8.342 -5.814 12.291 58 HD2 PRO 8 2HD PRO 8 7.852 -7.443 10.185 59 HD3 PRO 8 3HD PRO 8 8.672 -5.879 10.011 60 HA PRO 9 HA PRO 9 12.439 -11.328 12.467 61 HB2 PRO 9 2HB PRO 9 13.725 -10.932 14.825 62 HB3 PRO 9 3HB PRO 9 14.492 -10.662 13.256 63 HG2 PRO 9 2HG PRO 9 13.272 -8.677 15.135 64 HG3 PRO 9 3HG PRO 9 14.785 -8.565 14.217 65 HD2 PRO 9 2HD PRO 9 12.504 -7.342 13.421 66 HD3 PRO 9 3HD PRO 9 13.706 -7.962 12.271 67 H GLN 10 H GLN 10 10.946 -12.671 13.238 68 HA GLN 10 HA GLN 10 10.089 -12.755 15.893 69 HB2 GLN 10 2HB GLN 10 8.816 -10.778 15.535 70 HB3 GLN 10 3HB GLN 10 8.206 -11.366 13.994 71 HG2 GLN 10 2HG GLN 10 6.531 -12.488 14.949 72 HG3 GLN 10 3HG GLN 10 7.551 -13.093 16.253 73 HE21 GLN 10 1HE2 GLN 10 5.588 -12.676 17.515 74 HE22 GLN 10 2HE2 GLN 10 5.342 -11.092 18.158 75 H GLN 11 H GLN 11 10.540 -14.934 15.533 76 HA GLN 11 HA GLN 11 8.324 -16.473 14.555 77 HB2 GLN 11 2HB GLN 11 9.843 -15.862 12.532 78 HB3 GLN 11 3HB GLN 11 10.939 -17.062 13.206 79 HG2 GLN 11 2HG GLN 11 8.699 -18.504 13.212 80 HG3 GLN 11 3HG GLN 11 8.320 -17.409 11.883 81 HE21 GLN 11 1HE2 GLN 11 10.356 -19.980 12.992 82 HE22 GLN 11 2HE2 GLN 11 11.087 -20.339 11.469 83 HA PRO 12 HA PRO 12 10.871 -18.293 18.005 84 HB2 PRO 12 2HB PRO 12 8.778 -18.632 19.701 85 HB3 PRO 12 3HB PRO 12 9.708 -17.131 19.611 86 HG2 PRO 12 2HG PRO 12 7.067 -17.801 18.369 87 HG3 PRO 12 3HG PRO 12 7.573 -16.312 19.188 88 HD2 PRO 12 2HD PRO 12 7.492 -16.536 16.490 89 HD3 PRO 12 3HD PRO 12 8.679 -15.517 17.328 90 H TYR 13 H TYR 13 10.859 -20.457 18.743 91 HA TYR 13 HA TYR 13 9.484 -22.278 16.959 92 HB2 TYR 13 2HB TYR 13 11.802 -22.744 17.380 93 HB3 TYR 13 3HB TYR 13 11.551 -22.705 19.122 94 HD1 TYR 13 HD1 TYR 13 10.436 -24.563 16.082 95 HD2 TYR 13 HD2 TYR 13 11.234 -24.699 20.259 96 HE1 TYR 13 HE1 TYR 13 10.041 -26.991 16.072 97 HE2 TYR 13 HE2 TYR 13 10.842 -27.128 20.261 98 HH TYR 13 HH TYR 13 10.930 -29.007 17.731 Start of MODEL 16 1 H1 LEU 1 H LEU 1 7.897 -1.837 -1.591 2 HA LEU 1 HA LEU 1 6.032 -1.862 -3.000 3 HB2 LEU 1 2HB LEU 1 7.906 -4.096 -3.600 4 HB3 LEU 1 3HB LEU 1 6.424 -3.960 -4.545 5 HG LEU 1 HG LEU 1 7.795 -1.425 -4.422 6 HD11 LEU 1 1HD1 LEU 1 9.708 -2.170 -5.883 7 HD12 LEU 1 2HD1 LEU 1 9.371 -3.815 -5.344 8 HD13 LEU 1 3HD1 LEU 1 9.843 -2.583 -4.173 9 HD21 LEU 1 1HD2 LEU 1 7.756 -1.869 -6.951 10 HD22 LEU 1 2HD2 LEU 1 6.213 -1.733 -6.107 11 HD23 LEU 1 3HD2 LEU 1 6.844 -3.322 -6.541 12 H GLY 2 H GLY 2 4.034 -2.176 -2.221 13 HA2 GLY 2 2HA GLY 2 2.050 -3.356 -1.971 14 HA3 GLY 2 3HA GLY 2 2.928 -4.842 -2.298 15 H GLN 3 H GLN 3 2.684 -2.327 0.216 16 HA GLN 3 HA GLN 3 2.610 -2.456 2.485 17 HB2 GLN 3 2HB GLN 3 1.344 -4.964 1.577 18 HB3 GLN 3 3HB GLN 3 1.917 -4.969 3.239 19 HG2 GLN 3 2HG GLN 3 0.556 -3.079 3.783 20 HG3 GLN 3 3HG GLN 3 0.096 -2.868 2.094 21 HE21 GLN 3 1HE2 GLN 3 -2.093 -2.999 2.763 22 HE22 GLN 3 2HE2 GLN 3 -2.826 -4.527 3.095 23 H GLN 4 H GLN 4 5.020 -2.289 2.122 24 HA GLN 4 HA GLN 4 6.521 -4.700 2.733 25 HB2 GLN 4 2HB GLN 4 8.502 -3.173 2.530 26 HB3 GLN 4 3HB GLN 4 7.508 -3.283 1.084 27 HG2 GLN 4 2HG GLN 4 6.656 -1.145 1.349 28 HG3 GLN 4 3HG GLN 4 7.071 -1.086 3.061 29 HE21 GLN 4 1HE2 GLN 4 8.591 0.346 3.426 30 HE22 GLN 4 2HE2 GLN 4 9.964 0.661 2.426 31 H GLN 5 H GLN 5 4.890 -4.235 4.811 32 HA GLN 5 HA GLN 5 5.644 -2.531 6.836 33 HB2 GLN 5 2HB GLN 5 3.907 -4.700 6.572 34 HB3 GLN 5 3HB GLN 5 4.975 -5.146 7.896 35 HG2 GLN 5 2HG GLN 5 3.078 -4.054 8.819 36 HG3 GLN 5 3HG GLN 5 4.455 -2.963 8.966 37 HE21 GLN 5 1HE2 GLN 5 2.594 -1.451 9.267 38 HE22 GLN 5 2HE2 GLN 5 1.951 -0.696 7.853 39 H ALA 6 H ALA 6 6.952 -5.738 6.088 40 HA ALA 6 HA ALA 6 8.911 -6.752 6.650 41 HB1 ALA 6 1HB ALA 6 9.904 -4.079 7.603 42 HB2 ALA 6 2HB ALA 6 10.839 -5.433 6.967 43 HB3 ALA 6 3HB ALA 6 9.796 -4.501 5.893 44 H PHE 7 H PHE 7 7.517 -7.724 8.349 45 HA PHE 7 HA PHE 7 7.290 -6.852 10.954 46 HB2 PHE 7 2HB PHE 7 7.226 -9.350 11.525 47 HB3 PHE 7 3HB PHE 7 6.044 -8.762 10.361 48 HD1 PHE 7 HD1 PHE 7 5.721 -9.999 8.460 49 HD2 PHE 7 HD2 PHE 7 9.499 -10.170 10.411 50 HE1 PHE 7 HE1 PHE 7 6.479 -11.686 6.837 51 HE2 PHE 7 HE2 PHE 7 10.264 -11.856 8.791 52 HZ PHE 7 HZ PHE 7 8.753 -12.616 7.001 53 HA PRO 8 HA PRO 8 11.224 -7.094 12.878 54 HB2 PRO 8 2HB PRO 8 10.605 -8.055 15.340 55 HB3 PRO 8 3HB PRO 8 10.206 -6.413 14.822 56 HG2 PRO 8 2HG PRO 8 8.463 -8.845 14.916 57 HG3 PRO 8 3HG PRO 8 8.089 -7.181 15.400 58 HD2 PRO 8 2HD PRO 8 7.288 -8.225 13.033 59 HD3 PRO 8 3HD PRO 8 7.688 -6.507 13.232 60 HA PRO 9 HA PRO 9 13.028 -11.098 12.664 61 HB2 PRO 9 2HB PRO 9 14.889 -11.025 14.640 62 HB3 PRO 9 3HB PRO 9 15.053 -10.117 13.133 63 HG2 PRO 9 2HG PRO 9 14.124 -9.177 15.819 64 HG3 PRO 9 3HG PRO 9 15.217 -8.382 14.671 65 HD2 PRO 9 2HD PRO 9 12.608 -7.697 14.913 66 HD3 PRO 9 3HD PRO 9 13.484 -7.596 13.371 67 H GLN 10 H GLN 10 11.918 -12.868 13.210 68 HA GLN 10 HA GLN 10 12.086 -14.072 15.723 69 HB2 GLN 10 2HB GLN 10 10.604 -12.430 16.598 70 HB3 GLN 10 3HB GLN 10 9.533 -12.555 15.209 71 HG2 GLN 10 2HG GLN 10 8.476 -14.374 16.012 72 HG3 GLN 10 3HG GLN 10 9.933 -15.028 16.758 73 HE21 GLN 10 1HE2 GLN 10 10.538 -14.307 18.818 74 HE22 GLN 10 2HE2 GLN 10 9.409 -13.540 19.876 75 H GLN 11 H GLN 11 12.562 -15.827 14.394 76 HA GLN 11 HA GLN 11 10.804 -16.758 12.362 77 HB2 GLN 11 2HB GLN 11 13.339 -17.587 13.552 78 HB3 GLN 11 3HB GLN 11 12.316 -18.947 13.109 79 HG2 GLN 11 2HG GLN 11 12.118 -17.396 10.893 80 HG3 GLN 11 3HG GLN 11 13.762 -17.042 11.421 81 HE21 GLN 11 1HE2 GLN 11 12.270 -18.782 9.279 82 HE22 GLN 11 2HE2 GLN 11 13.204 -20.235 9.277 83 HA PRO 12 HA PRO 12 7.871 -19.171 14.554 84 HB2 PRO 12 2HB PRO 12 7.621 -21.368 12.979 85 HB3 PRO 12 3HB PRO 12 6.991 -19.781 12.521 86 HG2 PRO 12 2HG PRO 12 9.529 -21.127 11.679 87 HG3 PRO 12 3HG PRO 12 8.369 -20.212 10.698 88 HD2 PRO 12 2HD PRO 12 10.694 -19.141 11.583 89 HD3 PRO 12 3HD PRO 12 9.220 -18.176 11.367 90 H TYR 13 H TYR 13 8.581 -19.916 16.484 91 HA TYR 13 HA TYR 13 10.412 -22.209 16.525 92 HB2 TYR 13 2HB TYR 13 11.056 -20.216 17.845 93 HB3 TYR 13 3HB TYR 13 9.580 -20.382 18.789 94 HD1 TYR 13 HD1 TYR 13 12.906 -21.775 18.135 95 HD2 TYR 13 HD2 TYR 13 9.356 -22.131 20.453 96 HE1 TYR 13 HE1 TYR 13 14.077 -23.285 19.685 97 HE2 TYR 13 HE2 TYR 13 10.516 -23.640 22.010 98 HH TYR 13 HH TYR 13 12.900 -24.086 22.710 Start of MODEL 17 1 H1 LEU 1 H LEU 1 1.355 -9.052 4.357 2 HA LEU 1 HA LEU 1 3.216 -8.512 2.640 3 HB2 LEU 1 2HB LEU 1 0.985 -9.731 1.077 4 HB3 LEU 1 3HB LEU 1 1.974 -8.474 0.337 5 HG LEU 1 HG LEU 1 3.880 -10.179 1.273 6 HD11 LEU 1 1HD1 LEU 1 2.440 -11.899 1.999 7 HD12 LEU 1 2HD1 LEU 1 3.092 -12.436 0.452 8 HD13 LEU 1 3HD1 LEU 1 1.452 -11.793 0.542 9 HD21 LEU 1 1HD2 LEU 1 2.479 -10.009 -1.380 10 HD22 LEU 1 2HD2 LEU 1 3.891 -11.035 -1.125 11 HD23 LEU 1 3HD2 LEU 1 4.015 -9.290 -0.898 12 H GLY 2 H GLY 2 3.313 -6.373 2.758 13 HA2 GLY 2 2HA GLY 2 1.254 -4.666 1.798 14 HA3 GLY 2 3HA GLY 2 1.240 -4.712 3.555 15 H GLN 3 H GLN 3 3.375 -4.128 0.781 16 HA GLN 3 HA GLN 3 5.090 -2.669 0.466 17 HB2 GLN 3 2HB GLN 3 3.360 -1.334 2.451 18 HB3 GLN 3 3HB GLN 3 5.012 -0.735 2.368 19 HG2 GLN 3 2HG GLN 3 4.775 -0.215 0.045 20 HG3 GLN 3 3HG GLN 3 3.193 -0.991 -0.013 21 HE21 GLN 3 1HE2 GLN 3 4.954 1.841 0.786 22 HE22 GLN 3 2HE2 GLN 3 3.605 2.825 1.230 23 H GLN 4 H GLN 4 6.308 -4.629 1.266 24 HA GLN 4 HA GLN 4 8.011 -5.552 2.460 25 HB2 GLN 4 2HB GLN 4 9.183 -3.527 1.833 26 HB3 GLN 4 3HB GLN 4 8.457 -2.650 3.173 27 HG2 GLN 4 2HG GLN 4 9.897 -3.491 4.684 28 HG3 GLN 4 3HG GLN 4 9.975 -5.066 3.896 29 HE21 GLN 4 1HE2 GLN 4 11.122 -5.028 1.737 30 HE22 GLN 4 2HE2 GLN 4 12.579 -4.104 1.654 31 H GLN 5 H GLN 5 6.399 -6.601 3.810 32 HA GLN 5 HA GLN 5 5.322 -5.643 6.157 33 HB2 GLN 5 2HB GLN 5 5.432 -8.088 6.919 34 HB3 GLN 5 3HB GLN 5 4.554 -7.740 5.436 35 HG2 GLN 5 2HG GLN 5 6.246 -8.625 4.089 36 HG3 GLN 5 3HG GLN 5 7.427 -8.586 5.398 37 HE21 GLN 5 1HE2 GLN 5 5.060 -10.407 3.788 38 HE22 GLN 5 2HE2 GLN 5 5.090 -11.798 4.811 39 H ALA 6 H ALA 6 8.538 -6.971 5.596 40 HA ALA 6 HA ALA 6 10.454 -6.898 6.824 41 HB1 ALA 6 1HB ALA 6 9.208 -4.929 8.700 42 HB2 ALA 6 2HB ALA 6 10.873 -5.029 8.126 43 HB3 ALA 6 3HB ALA 6 9.600 -4.463 7.044 44 H PHE 7 H PHE 7 9.728 -9.103 7.444 45 HA PHE 7 HA PHE 7 8.355 -9.770 9.741 46 HB2 PHE 7 2HB PHE 7 9.285 -11.919 9.554 47 HB3 PHE 7 3HB PHE 7 9.319 -11.298 7.907 48 HD1 PHE 7 HD1 PHE 7 11.119 -13.153 10.118 49 HD2 PHE 7 HD2 PHE 7 11.610 -9.810 7.529 50 HE1 PHE 7 HE1 PHE 7 13.536 -13.598 10.007 51 HE2 PHE 7 HE2 PHE 7 14.028 -10.250 7.414 52 HZ PHE 7 HZ PHE 7 14.994 -12.147 8.653 53 HA PRO 8 HA PRO 8 10.807 -8.651 13.202 54 HB2 PRO 8 2HB PRO 8 10.340 -10.717 14.900 55 HB3 PRO 8 3HB PRO 8 9.126 -9.488 14.525 56 HG2 PRO 8 2HG PRO 8 9.439 -12.247 13.405 57 HG3 PRO 8 3HG PRO 8 7.963 -11.408 13.916 58 HD2 PRO 8 2HD PRO 8 8.695 -11.615 11.317 59 HD3 PRO 8 3HD PRO 8 7.812 -10.211 11.951 60 HA PRO 9 HA PRO 9 14.751 -10.595 13.221 61 HB2 PRO 9 2HB PRO 9 15.509 -10.392 15.820 62 HB3 PRO 9 3HB PRO 9 15.433 -9.003 14.731 63 HG2 PRO 9 2HG PRO 9 13.452 -9.910 16.783 64 HG3 PRO 9 3HG PRO 9 14.017 -8.268 16.422 65 HD2 PRO 9 2HD PRO 9 11.649 -9.224 15.522 66 HD3 PRO 9 3HD PRO 9 12.614 -8.049 14.607 67 H GLN 10 H GLN 10 14.767 -12.736 12.817 68 HA GLN 10 HA GLN 10 14.379 -14.992 13.101 69 HB2 GLN 10 2HB GLN 10 15.691 -15.869 15.061 70 HB3 GLN 10 3HB GLN 10 16.582 -14.796 13.990 71 HG2 GLN 10 2HG GLN 10 16.394 -12.985 15.533 72 HG3 GLN 10 3HG GLN 10 15.293 -13.906 16.556 73 HE21 GLN 10 1HE2 GLN 10 16.153 -14.876 18.242 74 HE22 GLN 10 2HE2 GLN 10 17.820 -15.285 18.442 75 H GLN 11 H GLN 11 12.008 -14.354 13.453 76 HA GLN 11 HA GLN 11 11.111 -15.713 15.865 77 HB2 GLN 11 2HB GLN 11 10.841 -12.838 15.414 78 HB3 GLN 11 3HB GLN 11 9.303 -13.630 15.727 79 HG2 GLN 11 2HG GLN 11 10.929 -14.706 17.650 80 HG3 GLN 11 3HG GLN 11 11.513 -13.048 17.529 81 HE21 GLN 11 1HE2 GLN 11 9.511 -14.930 19.207 82 HE22 GLN 11 2HE2 GLN 11 8.300 -13.786 19.663 83 HA PRO 12 HA PRO 12 8.008 -17.388 13.258 84 HB2 PRO 12 2HB PRO 12 5.872 -17.566 14.925 85 HB3 PRO 12 3HB PRO 12 7.287 -18.616 15.061 86 HG2 PRO 12 2HG PRO 12 6.594 -16.159 16.625 87 HG3 PRO 12 3HG PRO 12 7.253 -17.702 17.199 88 HD2 PRO 12 2HD PRO 12 8.797 -15.510 16.815 89 HD3 PRO 12 3HD PRO 12 9.404 -17.161 16.571 90 H TYR 13 H TYR 13 6.195 -16.900 12.002 91 HA TYR 13 HA TYR 13 4.753 -14.422 12.518 92 HB2 TYR 13 2HB TYR 13 6.733 -13.775 11.164 93 HB3 TYR 13 3HB TYR 13 6.210 -14.892 9.909 94 HD1 TYR 13 HD1 TYR 13 5.567 -11.677 11.533 95 HD2 TYR 13 HD2 TYR 13 4.281 -14.386 8.514 96 HE1 TYR 13 HE1 TYR 13 4.181 -9.904 10.541 97 HE2 TYR 13 HE2 TYR 13 2.892 -12.620 7.513 98 HH TYR 13 HH TYR 13 2.717 -10.227 7.453 Start of MODEL 18 1 H1 LEU 1 H LEU 1 0.532 -1.762 0.322 2 HA LEU 1 HA LEU 1 2.028 -2.161 -1.485 3 HB2 LEU 1 2HB LEU 1 -0.463 -1.709 -2.038 4 HB3 LEU 1 3HB LEU 1 0.135 -0.198 -2.720 5 HG LEU 1 HG LEU 1 1.588 -2.525 -3.698 6 HD11 LEU 1 1HD1 LEU 1 -0.550 -2.928 -5.247 7 HD12 LEU 1 2HD1 LEU 1 -1.368 -2.528 -3.736 8 HD13 LEU 1 3HD1 LEU 1 -0.227 -3.872 -3.792 9 HD21 LEU 1 1HD2 LEU 1 0.293 -0.061 -4.758 10 HD22 LEU 1 2HD2 LEU 1 0.664 -1.375 -5.875 11 HD23 LEU 1 3HD2 LEU 1 1.954 -0.628 -4.931 12 H GLY 2 H GLY 2 4.020 -1.441 -1.836 13 HA2 GLY 2 2HA GLY 2 5.025 0.407 -3.349 14 HA3 GLY 2 3HA GLY 2 4.464 1.457 -2.056 15 H GLN 3 H GLN 3 6.155 -1.681 -2.150 16 HA GLN 3 HA GLN 3 8.069 -2.401 -1.155 17 HB2 GLN 3 2HB GLN 3 8.610 0.428 -1.801 18 HB3 GLN 3 3HB GLN 3 9.659 -0.280 -0.580 19 HG2 GLN 3 2HG GLN 3 10.363 -1.997 -2.089 20 HG3 GLN 3 3HG GLN 3 9.181 -1.486 -3.293 21 HE21 GLN 3 1HE2 GLN 3 12.162 -1.694 -3.313 22 HE22 GLN 3 2HE2 GLN 3 12.707 -0.144 -3.848 23 H GLN 4 H GLN 4 6.455 -2.791 0.637 24 HA GLN 4 HA GLN 4 7.622 -2.119 3.110 25 HB2 GLN 4 2HB GLN 4 6.478 0.054 2.556 26 HB3 GLN 4 3HB GLN 4 4.945 -0.802 2.644 27 HG2 GLN 4 2HG GLN 4 4.953 -0.118 4.771 28 HG3 GLN 4 3HG GLN 4 6.035 -1.489 5.017 29 HE21 GLN 4 1HE2 GLN 4 7.181 -0.621 6.685 30 HE22 GLN 4 2HE2 GLN 4 8.226 0.744 6.518 31 H GLN 5 H GLN 5 7.469 -4.407 3.188 32 HA GLN 5 HA GLN 5 5.339 -5.410 4.674 33 HB2 GLN 5 2HB GLN 5 4.676 -5.235 1.958 34 HB3 GLN 5 3HB GLN 5 5.044 -6.932 2.232 35 HG2 GLN 5 2HG GLN 5 3.141 -5.364 3.948 36 HG3 GLN 5 3HG GLN 5 2.642 -6.269 2.520 37 HE21 GLN 5 1HE2 GLN 5 1.347 -7.142 4.487 38 HE22 GLN 5 2HE2 GLN 5 2.002 -8.567 5.212 39 H ALA 6 H ALA 6 6.999 -6.317 5.853 40 HA ALA 6 HA ALA 6 7.769 -8.927 5.251 41 HB1 ALA 6 1HB ALA 6 9.623 -6.833 4.276 42 HB2 ALA 6 2HB ALA 6 10.336 -8.239 5.066 43 HB3 ALA 6 3HB ALA 6 9.306 -8.451 3.650 44 H PHE 7 H PHE 7 6.964 -8.824 7.460 45 HA PHE 7 HA PHE 7 8.081 -7.435 9.564 46 HB2 PHE 7 2HB PHE 7 7.016 -8.956 11.003 47 HB3 PHE 7 3HB PHE 7 6.043 -9.008 9.537 48 HD1 PHE 7 HD1 PHE 7 7.329 -10.980 12.009 49 HD2 PHE 7 HD2 PHE 7 7.100 -10.812 7.762 50 HE1 PHE 7 HE1 PHE 7 7.635 -13.419 11.899 51 HE2 PHE 7 HE2 PHE 7 7.405 -13.250 7.646 52 HZ PHE 7 HZ PHE 7 7.672 -14.558 9.716 53 HA PRO 8 HA PRO 8 12.098 -9.035 10.310 54 HB2 PRO 8 2HB PRO 8 12.220 -8.979 13.021 55 HB3 PRO 8 3HB PRO 8 12.263 -7.518 12.028 56 HG2 PRO 8 2HG PRO 8 9.961 -8.737 13.502 57 HG3 PRO 8 3HG PRO 8 10.435 -7.033 13.381 58 HD2 PRO 8 2HD PRO 8 8.437 -8.098 11.897 59 HD3 PRO 8 3HD PRO 8 9.469 -6.782 11.303 60 HA PRO 9 HA PRO 9 12.100 -13.338 11.212 61 HB2 PRO 9 2HB PRO 9 14.488 -13.690 12.455 62 HB3 PRO 9 3HB PRO 9 14.346 -13.351 10.727 63 HG2 PRO 9 2HG PRO 9 14.978 -11.482 12.978 64 HG3 PRO 9 3HG PRO 9 15.723 -11.593 11.373 65 HD2 PRO 9 2HD PRO 9 13.866 -9.722 11.990 66 HD3 PRO 9 3HD PRO 9 14.021 -10.412 10.362 67 H GLN 10 H GLN 10 11.593 -14.832 12.784 68 HA GLN 10 HA GLN 10 12.090 -14.604 15.522 69 HB2 GLN 10 2HB GLN 10 10.654 -12.710 15.615 70 HB3 GLN 10 3HB GLN 10 9.438 -13.495 14.616 71 HG2 GLN 10 2HG GLN 10 8.556 -14.643 16.343 72 HG3 GLN 10 3HG GLN 10 10.112 -14.846 17.147 73 HE21 GLN 10 1HE2 GLN 10 11.049 -12.614 17.853 74 HE22 GLN 10 2HE2 GLN 10 9.946 -11.617 18.732 75 H GLN 11 H GLN 11 12.487 -16.803 15.184 76 HA GLN 11 HA GLN 11 10.832 -18.673 14.013 77 HB2 GLN 11 2HB GLN 11 11.917 -20.302 15.668 78 HB3 GLN 11 3HB GLN 11 12.983 -19.406 14.595 79 HG2 GLN 11 2HG GLN 11 13.836 -18.121 16.283 80 HG3 GLN 11 3HG GLN 11 12.393 -18.283 17.283 81 HE21 GLN 11 1HE2 GLN 11 15.145 -20.095 16.013 82 HE22 GLN 11 2HE2 GLN 11 15.290 -21.166 17.361 83 HA PRO 12 HA PRO 12 7.329 -19.237 16.592 84 HB2 PRO 12 2HB PRO 12 6.917 -21.913 16.387 85 HB3 PRO 12 3HB PRO 12 6.590 -20.786 15.064 86 HG2 PRO 12 2HG PRO 12 8.969 -22.549 15.507 87 HG3 PRO 12 3HG PRO 12 8.075 -22.232 14.009 88 HD2 PRO 12 2HD PRO 12 10.427 -21.020 14.587 89 HD3 PRO 12 3HD PRO 12 9.149 -20.225 13.645 90 H TYR 13 H TYR 13 7.970 -18.763 18.676 91 HA TYR 13 HA TYR 13 9.186 -20.928 20.246 92 HB2 TYR 13 2HB TYR 13 10.212 -18.579 20.161 93 HB3 TYR 13 3HB TYR 13 8.848 -18.074 21.152 94 HD1 TYR 13 HD1 TYR 13 9.296 -17.906 23.399 95 HD2 TYR 13 HD2 TYR 13 11.317 -20.890 21.138 96 HE1 TYR 13 HE1 TYR 13 10.497 -18.618 25.424 97 HE2 TYR 13 HE2 TYR 13 12.523 -21.611 23.156 98 HH TYR 13 HH TYR 13 13.156 -20.223 25.515 Start of MODEL 19 1 H1 LEU 1 H LEU 1 5.616 1.218 4.740 2 HA LEU 1 HA LEU 1 5.221 -1.340 5.736 3 HB2 LEU 1 2HB LEU 1 2.971 0.164 6.202 4 HB3 LEU 1 3HB LEU 1 2.583 -0.654 4.690 5 HG LEU 1 HG LEU 1 3.591 -2.655 6.353 6 HD11 LEU 1 1HD1 LEU 1 2.049 -2.449 8.315 7 HD12 LEU 1 2HD1 LEU 1 1.797 -0.765 7.859 8 HD13 LEU 1 3HD1 LEU 1 3.406 -1.323 8.315 9 HD21 LEU 1 1HD2 LEU 1 1.895 -3.364 5.031 10 HD22 LEU 1 2HD2 LEU 1 0.989 -1.859 5.194 11 HD23 LEU 1 3HD2 LEU 1 0.952 -3.056 6.489 12 H GLY 2 H GLY 2 6.424 -2.044 4.041 13 HA2 GLY 2 2HA GLY 2 5.573 -1.361 1.321 14 HA3 GLY 2 3HA GLY 2 7.098 -2.111 1.769 15 H GLN 3 H GLN 3 6.029 -4.171 3.412 16 HA GLN 3 HA GLN 3 5.281 -6.314 3.267 17 HB2 GLN 3 2HB GLN 3 3.294 -4.750 1.743 18 HB3 GLN 3 3HB GLN 3 3.313 -6.476 1.406 19 HG2 GLN 3 2HG GLN 3 2.905 -6.994 3.705 20 HG3 GLN 3 3HG GLN 3 3.087 -5.302 4.165 21 HE21 GLN 3 1HE2 GLN 3 0.842 -7.316 4.332 22 HE22 GLN 3 2HE2 GLN 3 -0.518 -6.489 3.661 23 H GLN 4 H GLN 4 7.482 -6.534 2.230 24 HA GLN 4 HA GLN 4 7.311 -8.291 0.035 25 HB2 GLN 4 2HB GLN 4 6.982 -6.087 -1.137 26 HB3 GLN 4 3HB GLN 4 8.609 -5.648 -0.635 27 HG2 GLN 4 2HG GLN 4 9.560 -6.878 -2.233 28 HG3 GLN 4 3HG GLN 4 8.463 -8.233 -1.975 29 HE21 GLN 4 1HE2 GLN 4 8.465 -4.937 -3.285 30 HE22 GLN 4 2HE2 GLN 4 7.434 -5.286 -4.627 31 H GLN 5 H GLN 5 8.435 -9.214 1.980 32 HA GLN 5 HA GLN 5 10.306 -9.932 3.066 33 HB2 GLN 5 2HB GLN 5 10.693 -10.438 0.514 34 HB3 GLN 5 3HB GLN 5 11.944 -9.213 0.669 35 HG2 GLN 5 2HG GLN 5 13.149 -11.099 1.094 36 HG3 GLN 5 3HG GLN 5 12.670 -10.650 2.730 37 HE21 GLN 5 1HE2 GLN 5 11.687 -12.645 -0.018 38 HE22 GLN 5 2HE2 GLN 5 11.001 -13.919 0.926 39 H ALA 6 H ALA 6 10.214 -8.106 4.519 40 HA ALA 6 HA ALA 6 12.667 -6.835 4.882 41 HB1 ALA 6 1HB ALA 6 12.554 -5.207 3.349 42 HB2 ALA 6 2HB ALA 6 10.814 -5.398 3.131 43 HB3 ALA 6 3HB ALA 6 11.435 -4.439 4.475 44 H PHE 7 H PHE 7 12.037 -7.754 6.927 45 HA PHE 7 HA PHE 7 10.619 -5.824 8.574 46 HB2 PHE 7 2HB PHE 7 8.942 -7.210 9.350 47 HB3 PHE 7 3HB PHE 7 9.053 -7.741 7.675 48 HD1 PHE 7 HD1 PHE 7 8.557 -8.936 10.794 49 HD2 PHE 7 HD2 PHE 7 11.149 -9.570 7.477 50 HE1 PHE 7 HE1 PHE 7 8.967 -11.239 11.558 51 HE2 PHE 7 HE2 PHE 7 11.562 -11.874 8.235 52 HZ PHE 7 HZ PHE 7 10.470 -12.711 10.278 53 HA PRO 8 HA PRO 8 13.648 -6.860 11.573 54 HB2 PRO 8 2HB PRO 8 12.272 -6.564 13.894 55 HB3 PRO 8 3HB PRO 8 12.765 -5.196 12.889 56 HG2 PRO 8 2HG PRO 8 10.106 -6.561 13.058 57 HG3 PRO 8 3HG PRO 8 10.470 -4.828 12.977 58 HD2 PRO 8 2HD PRO 8 9.666 -6.249 10.818 59 HD3 PRO 8 3HD PRO 8 10.778 -4.870 10.693 60 HA PRO 9 HA PRO 9 13.407 -11.041 12.914 61 HB2 PRO 9 2HB PRO 9 14.750 -10.994 15.273 62 HB3 PRO 9 3HB PRO 9 15.552 -10.820 13.707 63 HG2 PRO 9 2HG PRO 9 14.748 -8.706 15.669 64 HG3 PRO 9 3HG PRO 9 16.252 -8.858 14.742 65 HD2 PRO 9 2HD PRO 9 14.254 -7.184 14.012 66 HD3 PRO 9 3HD PRO 9 15.309 -7.983 12.830 67 H GLN 10 H GLN 10 11.510 -11.895 13.504 68 HA GLN 10 HA GLN 10 10.707 -12.122 16.168 69 HB2 GLN 10 2HB GLN 10 10.066 -9.831 16.160 70 HB3 GLN 10 3HB GLN 10 9.286 -9.982 14.591 71 HG2 GLN 10 2HG GLN 10 7.409 -10.943 15.454 72 HG3 GLN 10 3HG GLN 10 8.266 -11.648 16.824 73 HE21 GLN 10 1HE2 GLN 10 5.976 -9.524 16.104 74 HE22 GLN 10 2HE2 GLN 10 6.174 -8.381 17.384 75 H GLN 11 H GLN 11 10.502 -14.260 15.473 76 HA GLN 11 HA GLN 11 8.221 -14.792 13.687 77 HB2 GLN 11 2HB GLN 11 9.353 -17.088 13.456 78 HB3 GLN 11 3HB GLN 11 10.090 -15.722 12.629 79 HG2 GLN 11 2HG GLN 11 11.719 -15.503 14.431 80 HG3 GLN 11 3HG GLN 11 10.978 -16.866 15.268 81 HE21 GLN 11 1HE2 GLN 11 11.915 -16.253 11.900 82 HE22 GLN 11 2HE2 GLN 11 12.882 -17.675 11.731 83 HA PRO 12 HA PRO 12 7.012 -16.204 17.942 84 HB2 PRO 12 2HB PRO 12 4.502 -15.177 17.823 85 HB3 PRO 12 3HB PRO 12 5.900 -14.237 18.359 86 HG2 PRO 12 2HG PRO 12 4.557 -14.277 15.684 87 HG3 PRO 12 3HG PRO 12 5.150 -12.891 16.618 88 HD2 PRO 12 2HD PRO 12 6.537 -13.954 14.550 89 HD3 PRO 12 3HD PRO 12 7.333 -13.218 15.955 90 H TYR 13 H TYR 13 6.909 -18.371 17.450 91 HA TYR 13 HA TYR 13 4.898 -19.366 15.615 92 HB2 TYR 13 2HB TYR 13 7.366 -20.259 16.168 93 HB3 TYR 13 3HB TYR 13 6.458 -21.237 17.316 94 HD1 TYR 13 HD1 TYR 13 4.599 -22.711 16.444 95 HD2 TYR 13 HD2 TYR 13 7.406 -20.806 13.876 96 HE1 TYR 13 HE1 TYR 13 4.017 -24.287 14.648 97 HE2 TYR 13 HE2 TYR 13 6.831 -22.376 12.073 98 HH TYR 13 HH TYR 13 5.544 -24.070 11.447 Start of MODEL 20 1 H1 LEU 1 H LEU 1 1.595 -0.258 4.479 2 HA LEU 1 HA LEU 1 1.302 -2.521 3.080 3 HB2 LEU 1 2HB LEU 1 0.368 0.206 2.753 4 HB3 LEU 1 3HB LEU 1 0.467 -0.647 1.215 5 HG LEU 1 HG LEU 1 -0.890 -2.492 2.442 6 HD11 LEU 1 1HD1 LEU 1 -1.212 -0.121 4.245 7 HD12 LEU 1 2HD1 LEU 1 -0.890 -1.803 4.665 8 HD13 LEU 1 3HD1 LEU 1 -2.486 -1.330 4.083 9 HD21 LEU 1 1HD2 LEU 1 -2.268 -1.713 0.877 10 HD22 LEU 1 2HD2 LEU 1 -1.642 -0.072 1.039 11 HD23 LEU 1 3HD2 LEU 1 -2.923 -0.638 2.112 12 H GLY 2 H GLY 2 3.144 -3.471 2.272 13 HA2 GLY 2 2HA GLY 2 3.850 -2.975 -0.378 14 HA3 GLY 2 3HA GLY 2 5.038 -2.161 0.628 15 H GLN 3 H GLN 3 5.300 -3.930 2.722 16 HA GLN 3 HA GLN 3 6.433 -5.797 3.356 17 HB2 GLN 3 2HB GLN 3 4.652 -6.732 1.195 18 HB3 GLN 3 3HB GLN 3 6.018 -7.781 1.552 19 HG2 GLN 3 2HG GLN 3 5.334 -8.002 3.834 20 HG3 GLN 3 3HG GLN 3 4.070 -6.792 3.619 21 HE21 GLN 3 1HE2 GLN 3 2.434 -7.330 1.920 22 HE22 GLN 3 2HE2 GLN 3 1.904 -8.971 1.827 23 H GLN 4 H GLN 4 8.283 -4.361 2.661 24 HA GLN 4 HA GLN 4 10.210 -5.905 1.307 25 HB2 GLN 4 2HB GLN 4 8.846 -5.091 -0.646 26 HB3 GLN 4 3HB GLN 4 9.337 -3.455 -0.226 27 HG2 GLN 4 2HG GLN 4 11.455 -3.743 -0.979 28 HG3 GLN 4 3HG GLN 4 11.484 -5.459 -0.577 29 HE21 GLN 4 1HE2 GLN 4 12.558 -5.198 -2.821 30 HE22 GLN 4 2HE2 GLN 4 11.514 -5.478 -4.169 31 H GLN 5 H GLN 5 11.115 -5.329 3.382 32 HA GLN 5 HA GLN 5 13.040 -3.318 3.246 33 HB2 GLN 5 2HB GLN 5 10.562 -2.220 3.811 34 HB3 GLN 5 3HB GLN 5 11.307 -2.378 5.396 35 HG2 GLN 5 2HG GLN 5 13.327 -1.320 3.859 36 HG3 GLN 5 3HG GLN 5 11.882 -0.523 3.238 37 HE21 GLN 5 1HE2 GLN 5 11.475 1.328 4.184 38 HE22 GLN 5 2HE2 GLN 5 11.805 1.734 5.831 39 H ALA 6 H ALA 6 12.736 -6.056 4.042 40 HA ALA 6 HA ALA 6 13.563 -7.497 5.598 41 HB1 ALA 6 1HB ALA 6 15.380 -5.699 5.614 42 HB2 ALA 6 2HB ALA 6 14.649 -5.152 7.123 43 HB3 ALA 6 3HB ALA 6 15.297 -6.788 6.999 44 H PHE 7 H PHE 7 11.228 -7.739 6.107 45 HA PHE 7 HA PHE 7 9.867 -6.441 8.124 46 HB2 PHE 7 2HB PHE 7 8.368 -8.249 8.141 47 HB3 PHE 7 3HB PHE 7 9.052 -8.281 6.519 48 HD1 PHE 7 HD1 PHE 7 8.312 -10.189 9.374 49 HD2 PHE 7 HD2 PHE 7 11.143 -9.822 6.218 50 HE1 PHE 7 HE1 PHE 7 8.989 -12.530 9.713 51 HE2 PHE 7 HE2 PHE 7 11.824 -12.162 6.551 52 HZ PHE 7 HZ PHE 7 10.746 -13.520 8.300 53 HA PRO 8 HA PRO 8 11.712 -7.510 11.958 54 HB2 PRO 8 2HB PRO 8 9.541 -7.734 13.573 55 HB3 PRO 8 3HB PRO 8 10.130 -6.182 12.965 56 HG2 PRO 8 2HG PRO 8 7.878 -7.879 11.960 57 HG3 PRO 8 3HG PRO 8 7.942 -6.120 12.181 58 HD2 PRO 8 2HD PRO 8 8.258 -7.297 9.763 59 HD3 PRO 8 3HD PRO 8 9.080 -5.787 10.205 60 HA PRO 9 HA PRO 9 11.433 -12.009 11.707 61 HB2 PRO 9 2HB PRO 9 13.779 -12.450 12.999 62 HB3 PRO 9 3HB PRO 9 13.692 -12.013 11.289 63 HG2 PRO 9 2HG PRO 9 14.266 -10.279 13.661 64 HG3 PRO 9 3HG PRO 9 15.060 -10.305 12.075 65 HD2 PRO 9 2HD PRO 9 13.196 -8.457 12.742 66 HD3 PRO 9 3HD PRO 9 13.397 -9.056 11.082 67 H GLN 10 H GLN 10 9.891 -12.723 13.078 68 HA GLN 10 HA GLN 10 10.522 -13.563 15.664 69 HB2 GLN 10 2HB GLN 10 10.492 -11.299 16.395 70 HB3 GLN 10 3HB GLN 10 9.014 -10.958 15.506 71 HG2 GLN 10 2HG GLN 10 8.675 -13.100 17.433 72 HG3 GLN 10 3HG GLN 10 9.212 -11.595 18.178 73 HE21 GLN 10 1HE2 GLN 10 6.579 -13.237 17.829 74 HE22 GLN 10 2HE2 GLN 10 5.411 -12.002 17.519 75 H GLN 11 H GLN 11 9.525 -15.414 14.845 76 HA GLN 11 HA GLN 11 6.602 -15.236 14.524 77 HB2 GLN 11 2HB GLN 11 6.948 -17.519 13.358 78 HB3 GLN 11 3HB GLN 11 7.385 -16.054 12.488 79 HG2 GLN 11 2HG GLN 11 9.646 -16.450 12.681 80 HG3 GLN 11 3HG GLN 11 9.448 -17.497 14.085 81 HE21 GLN 11 1HE2 GLN 11 10.298 -17.508 10.967 82 HE22 GLN 11 2HE2 GLN 11 9.854 -19.117 10.524 83 HA PRO 12 HA PRO 12 5.960 -17.807 18.019 84 HB2 PRO 12 2HB PRO 12 3.839 -19.307 17.230 85 HB3 PRO 12 3HB PRO 12 3.706 -17.591 17.632 86 HG2 PRO 12 2HG PRO 12 3.908 -18.896 14.946 87 HG3 PRO 12 3HG PRO 12 2.857 -17.567 15.467 88 HD2 PRO 12 2HD PRO 12 5.133 -17.158 14.057 89 HD3 PRO 12 3HD PRO 12 4.530 -15.995 15.255 90 H TYR 13 H TYR 13 6.731 -19.675 18.839 91 HA TYR 13 HA TYR 13 7.557 -21.752 16.924 92 HB2 TYR 13 2HB TYR 13 9.339 -20.555 18.269 93 HB3 TYR 13 3HB TYR 13 8.663 -21.322 19.701 94 HD1 TYR 13 HD1 TYR 13 10.474 -21.899 16.553 95 HD2 TYR 13 HD2 TYR 13 9.018 -23.661 20.142 96 HE1 TYR 13 HE1 TYR 13 11.858 -23.888 16.131 97 HE2 TYR 13 HE2 TYR 13 10.399 -25.654 19.730 98 HH TYR 13 HH TYR 13 12.908 -25.793 17.830 Start of MODEL 21 1 H1 LEU 1 H LEU 1 4.856 1.476 -2.605 2 HA LEU 1 HA LEU 1 4.232 0.257 -4.763 3 HB2 LEU 1 2HB LEU 1 7.021 1.224 -5.224 4 HB3 LEU 1 3HB LEU 1 6.479 -0.274 -5.978 5 HG LEU 1 HG LEU 1 4.495 1.293 -6.789 6 HD11 LEU 1 1HD1 LEU 1 6.775 3.242 -6.763 7 HD12 LEU 1 2HD1 LEU 1 5.561 3.213 -5.485 8 HD13 LEU 1 3HD1 LEU 1 5.079 3.527 -7.153 9 HD21 LEU 1 1HD2 LEU 1 6.366 -0.009 -8.046 10 HD22 LEU 1 2HD2 LEU 1 7.100 1.585 -8.224 11 HD23 LEU 1 3HD2 LEU 1 5.488 1.279 -8.871 12 H GLY 2 H GLY 2 3.904 -0.998 -2.770 13 HA2 GLY 2 2HA GLY 2 5.208 -3.421 -2.769 14 HA3 GLY 2 3HA GLY 2 6.082 -2.437 -1.604 15 H GLN 3 H GLN 3 4.575 -1.269 0.000 16 HA GLN 3 HA GLN 3 3.126 -1.429 1.745 17 HB2 GLN 3 2HB GLN 3 1.638 -2.568 -0.537 18 HB3 GLN 3 3HB GLN 3 1.025 -3.001 1.053 19 HG2 GLN 3 2HG GLN 3 0.726 -0.701 1.636 20 HG3 GLN 3 3HG GLN 3 1.529 -0.175 0.157 21 HE21 GLN 3 1HE2 GLN 3 0.367 0.050 -1.659 22 HE22 GLN 3 2HE2 GLN 3 -1.314 -0.320 -1.803 23 H GLN 4 H GLN 4 4.985 -2.776 2.580 24 HA GLN 4 HA GLN 4 3.975 -5.022 3.946 25 HB2 GLN 4 2HB GLN 4 4.293 -6.008 1.652 26 HB3 GLN 4 3HB GLN 4 6.018 -5.716 1.833 27 HG2 GLN 4 2HG GLN 4 5.888 -7.121 3.937 28 HG3 GLN 4 3HG GLN 4 4.276 -7.590 3.400 29 HE21 GLN 4 1HE2 GLN 4 4.106 -9.254 2.064 30 HE22 GLN 4 2HE2 GLN 4 5.409 -9.991 1.203 31 H GLN 5 H GLN 5 4.878 -3.532 5.524 32 HA GLN 5 HA GLN 5 7.502 -2.730 5.741 33 HB2 GLN 5 2HB GLN 5 5.247 -2.707 7.386 34 HB3 GLN 5 3HB GLN 5 6.468 -3.559 8.321 35 HG2 GLN 5 2HG GLN 5 7.959 -1.714 8.209 36 HG3 GLN 5 3HG GLN 5 6.942 -0.889 7.029 37 HE21 GLN 5 1HE2 GLN 5 7.568 -1.454 10.329 38 HE22 GLN 5 2HE2 GLN 5 6.281 -0.500 10.977 39 H ALA 6 H ALA 6 6.071 -5.815 6.714 40 HA ALA 6 HA ALA 6 6.994 -7.846 7.167 41 HB1 ALA 6 1HB ALA 6 9.646 -6.945 6.132 42 HB2 ALA 6 2HB ALA 6 8.846 -8.508 5.965 43 HB3 ALA 6 3HB ALA 6 8.287 -7.126 5.023 44 H PHE 7 H PHE 7 6.758 -7.060 9.425 45 HA PHE 7 HA PHE 7 8.737 -5.890 10.948 46 HB2 PHE 7 2HB PHE 7 7.598 -6.670 12.848 47 HB3 PHE 7 3HB PHE 7 6.346 -6.574 11.614 48 HD1 PHE 7 HD1 PHE 7 6.155 -8.846 10.178 49 HD2 PHE 7 HD2 PHE 7 7.579 -8.529 14.177 50 HE1 PHE 7 HE1 PHE 7 5.592 -11.210 10.562 51 HE2 PHE 7 HE2 PHE 7 7.019 -10.893 14.567 52 HZ PHE 7 HZ PHE 7 6.025 -12.237 12.758 53 HA PRO 8 HA PRO 8 12.046 -8.741 11.356 54 HB2 PRO 8 2HB PRO 8 12.816 -8.330 13.926 55 HB3 PRO 8 3HB PRO 8 13.108 -7.157 12.637 56 HG2 PRO 8 2HG PRO 8 10.948 -7.195 14.709 57 HG3 PRO 8 3HG PRO 8 11.920 -5.829 14.130 58 HD2 PRO 8 2HD PRO 8 9.391 -6.281 13.277 59 HD3 PRO 8 3HD PRO 8 10.632 -5.549 12.240 60 HA PRO 9 HA PRO 9 9.802 -12.269 13.063 61 HB2 PRO 9 2HB PRO 9 11.305 -14.130 11.779 62 HB3 PRO 9 3HB PRO 9 9.992 -13.246 10.992 63 HG2 PRO 9 2HG PRO 9 12.942 -12.749 10.883 64 HG3 PRO 9 3HG PRO 9 11.752 -12.710 9.569 65 HD2 PRO 9 2HD PRO 9 12.676 -10.463 10.764 66 HD3 PRO 9 3HD PRO 9 11.027 -10.593 10.119 67 H GLN 10 H GLN 10 10.191 -13.333 14.910 68 HA GLN 10 HA GLN 10 12.929 -14.018 15.651 69 HB2 GLN 10 2HB GLN 10 12.424 -13.130 17.999 70 HB3 GLN 10 3HB GLN 10 12.802 -11.948 16.753 71 HG2 GLN 10 2HG GLN 10 10.574 -11.257 16.572 72 HG3 GLN 10 3HG GLN 10 9.976 -12.676 17.429 73 HE21 GLN 10 1HE2 GLN 10 12.606 -10.448 18.219 74 HE22 GLN 10 2HE2 GLN 10 11.955 -9.939 19.736 75 H GLN 11 H GLN 11 11.878 -16.099 15.039 76 HA GLN 11 HA GLN 11 10.945 -17.423 17.432 77 HB2 GLN 11 2HB GLN 11 8.873 -16.532 16.326 78 HB3 GLN 11 3HB GLN 11 9.244 -17.547 14.939 79 HG2 GLN 11 2HG GLN 11 9.334 -19.198 17.224 80 HG3 GLN 11 3HG GLN 11 7.872 -18.219 17.339 81 HE21 GLN 11 1HE2 GLN 11 9.083 -21.042 16.212 82 HE22 GLN 11 2HE2 GLN 11 7.938 -21.379 14.963 83 HA PRO 12 HA PRO 12 13.734 -19.899 14.664 84 HB2 PRO 12 2HB PRO 12 15.445 -20.622 16.644 85 HB3 PRO 12 3HB PRO 12 15.612 -19.117 15.732 86 HG2 PRO 12 2HG PRO 12 14.419 -19.567 18.440 87 HG3 PRO 12 3HG PRO 12 15.497 -18.269 17.894 88 HD2 PRO 12 2HD PRO 12 12.822 -17.933 18.143 89 HD3 PRO 12 3HD PRO 12 13.780 -17.086 16.912 90 H TYR 13 H TYR 13 13.129 -21.924 14.255 91 HA TYR 13 HA TYR 13 12.393 -23.670 16.505 92 HB2 TYR 13 2HB TYR 13 10.392 -22.749 15.227 93 HB3 TYR 13 3HB TYR 13 10.948 -23.702 13.856 94 HD1 TYR 13 HD1 TYR 13 10.655 -26.080 13.800 95 HD2 TYR 13 HD2 TYR 13 9.589 -23.868 17.275 96 HE1 TYR 13 HE1 TYR 13 9.463 -28.044 14.677 97 HE2 TYR 13 HE2 TYR 13 8.394 -25.826 18.162 98 HH TYR 13 HH TYR 13 8.327 -28.900 16.382 Start of MODEL 22 1 H1 LEU 1 H LEU 1 3.824 -5.179 -2.771 2 HA LEU 1 HA LEU 1 3.746 -3.190 -0.894 3 HB2 LEU 1 2HB LEU 1 1.231 -4.649 -1.054 4 HB3 LEU 1 3HB LEU 1 1.936 -4.677 0.562 5 HG LEU 1 HG LEU 1 1.903 -2.011 -0.623 6 HD11 LEU 1 1HD1 LEU 1 -0.690 -3.484 -0.208 7 HD12 LEU 1 2HD1 LEU 1 -0.116 -2.713 -1.686 8 HD13 LEU 1 3HD1 LEU 1 -0.551 -1.728 -0.290 9 HD21 LEU 1 1HD2 LEU 1 0.834 -3.192 1.939 10 HD22 LEU 1 2HD2 LEU 1 0.928 -1.470 1.569 11 HD23 LEU 1 3HD2 LEU 1 2.406 -2.423 1.713 12 H GLY 2 H GLY 2 4.994 -3.712 0.846 13 HA2 GLY 2 2HA GLY 2 6.262 -6.303 0.796 14 HA3 GLY 2 3HA GLY 2 6.665 -4.962 1.858 15 H GLN 3 H GLN 3 4.150 -4.545 3.031 16 HA GLN 3 HA GLN 3 2.885 -5.237 4.790 17 HB2 GLN 3 2HB GLN 3 3.068 -7.616 3.050 18 HB3 GLN 3 3HB GLN 3 2.611 -7.936 4.718 19 HG2 GLN 3 2HG GLN 3 0.720 -6.482 4.548 20 HG3 GLN 3 3HG GLN 3 1.225 -5.940 2.948 21 HE21 GLN 3 1HE2 GLN 3 0.349 -6.918 1.269 22 HE22 GLN 3 2HE2 GLN 3 -0.453 -8.448 1.290 23 H GLN 4 H GLN 4 4.945 -4.601 5.939 24 HA GLN 4 HA GLN 4 6.432 -4.924 7.629 25 HB2 GLN 4 2HB GLN 4 4.472 -5.900 8.746 26 HB3 GLN 4 3HB GLN 4 4.852 -7.468 8.047 27 HG2 GLN 4 2HG GLN 4 5.850 -7.809 10.024 28 HG3 GLN 4 3HG GLN 4 7.181 -6.931 9.272 29 HE21 GLN 4 1HE2 GLN 4 8.054 -5.793 10.868 30 HE22 GLN 4 2HE2 GLN 4 7.201 -4.716 11.915 31 H GLN 5 H GLN 5 8.105 -5.156 6.017 32 HA GLN 5 HA GLN 5 8.944 -7.477 4.799 33 HB2 GLN 5 2HB GLN 5 9.950 -4.893 5.117 34 HB3 GLN 5 3HB GLN 5 11.214 -5.941 5.748 35 HG2 GLN 5 2HG GLN 5 10.554 -7.219 3.442 36 HG3 GLN 5 3HG GLN 5 10.301 -5.531 3.001 37 HE21 GLN 5 1HE2 GLN 5 12.002 -4.745 2.008 38 HE22 GLN 5 2HE2 GLN 5 13.654 -5.060 2.401 39 H ALA 6 H ALA 6 9.492 -6.409 8.101 40 HA ALA 6 HA ALA 6 10.245 -7.497 9.953 41 HB1 ALA 6 1HB ALA 6 10.081 -10.084 8.441 42 HB2 ALA 6 2HB ALA 6 9.844 -9.792 10.165 43 HB3 ALA 6 3HB ALA 6 8.635 -9.244 9.003 44 H PHE 7 H PHE 7 12.286 -6.379 9.353 45 HA PHE 7 HA PHE 7 14.370 -7.746 8.011 46 HB2 PHE 7 2HB PHE 7 13.979 -5.187 9.129 47 HB3 PHE 7 3HB PHE 7 15.391 -5.862 9.934 48 HD1 PHE 7 HD1 PHE 7 13.996 -4.711 6.763 49 HD2 PHE 7 HD2 PHE 7 17.413 -6.353 8.699 50 HE1 PHE 7 HE1 PHE 7 15.375 -4.137 4.809 51 HE2 PHE 7 HE2 PHE 7 18.798 -5.780 6.748 52 HZ PHE 7 HZ PHE 7 17.780 -4.670 4.800 53 HA PRO 8 HA PRO 8 16.062 -8.749 12.424 54 HB2 PRO 8 2HB PRO 8 14.410 -8.281 14.527 55 HB3 PRO 8 3HB PRO 8 15.532 -7.069 13.899 56 HG2 PRO 8 2HG PRO 8 12.597 -7.374 13.396 57 HG3 PRO 8 3HG PRO 8 13.529 -5.901 13.718 58 HD2 PRO 8 2HD PRO 8 12.767 -6.627 11.223 59 HD3 PRO 8 3HD PRO 8 14.276 -5.748 11.542 60 HA PRO 9 HA PRO 9 14.158 -12.689 12.854 61 HB2 PRO 9 2HB PRO 9 14.913 -13.452 15.348 62 HB3 PRO 9 3HB PRO 9 16.036 -13.377 13.985 63 HG2 PRO 9 2HG PRO 9 15.595 -11.398 16.187 64 HG3 PRO 9 3HG PRO 9 17.120 -11.965 15.482 65 HD2 PRO 9 2HD PRO 9 15.998 -9.594 14.812 66 HD3 PRO 9 3HD PRO 9 16.948 -10.559 13.664 67 H GLN 10 H GLN 10 12.014 -12.904 12.992 68 HA GLN 10 HA GLN 10 10.648 -13.139 15.416 69 HB2 GLN 10 2HB GLN 10 10.800 -10.783 15.717 70 HB3 GLN 10 3HB GLN 10 10.354 -10.470 14.045 71 HG2 GLN 10 2HG GLN 10 8.147 -10.693 14.444 72 HG3 GLN 10 3HG GLN 10 8.382 -11.949 15.659 73 HE21 GLN 10 1HE2 GLN 10 7.312 -8.911 15.224 74 HE22 GLN 10 2HE2 GLN 10 7.565 -8.267 16.807 75 H GLN 11 H GLN 11 9.893 -14.970 14.343 76 HA GLN 11 HA GLN 11 7.708 -14.439 12.465 77 HB2 GLN 11 2HB GLN 11 10.138 -16.042 11.963 78 HB3 GLN 11 3HB GLN 11 8.622 -16.795 11.485 79 HG2 GLN 11 2HG GLN 11 8.159 -15.170 9.908 80 HG3 GLN 11 3HG GLN 11 9.231 -13.991 10.661 81 HE21 GLN 11 1HE2 GLN 11 8.878 -15.971 8.083 82 HE22 GLN 11 2HE2 GLN 11 10.534 -16.173 7.635 83 HA PRO 12 HA PRO 12 6.482 -17.248 15.952 84 HB2 PRO 12 2HB PRO 12 4.164 -15.944 16.496 85 HB3 PRO 12 3HB PRO 12 5.716 -15.480 17.204 86 HG2 PRO 12 2HG PRO 12 4.265 -14.288 14.872 87 HG3 PRO 12 3HG PRO 12 5.112 -13.472 16.199 88 HD2 PRO 12 2HD PRO 12 6.218 -13.802 13.749 89 HD3 PRO 12 3HD PRO 12 7.184 -13.788 15.239 90 H TYR 13 H TYR 13 5.662 -19.095 15.207 91 HA TYR 13 HA TYR 13 3.561 -19.006 13.159 92 HB2 TYR 13 2HB TYR 13 5.755 -20.330 12.857 93 HB3 TYR 13 3HB TYR 13 5.062 -21.476 13.998 94 HD1 TYR 13 HD1 TYR 13 4.114 -19.677 10.859 95 HD2 TYR 13 HD2 TYR 13 3.881 -23.261 13.139 96 HE1 TYR 13 HE1 TYR 13 2.894 -20.761 9.019 97 HE2 TYR 13 HE2 TYR 13 2.662 -24.356 11.305 98 HH TYR 13 HH TYR 13 2.512 -24.004 8.726 Start of MODEL 23 1 H1 LEU 1 H LEU 1 6.989 -1.295 2.428 2 HA LEU 1 HA LEU 1 6.496 -3.664 3.216 3 HB2 LEU 1 2HB LEU 1 4.749 -1.529 2.655 4 HB3 LEU 1 3HB LEU 1 3.945 -2.994 2.094 5 HG LEU 1 HG LEU 1 4.540 -3.900 4.465 6 HD11 LEU 1 1HD1 LEU 1 5.696 -2.440 5.694 7 HD12 LEU 1 2HD1 LEU 1 4.162 -1.593 5.893 8 HD13 LEU 1 3HD1 LEU 1 5.292 -1.088 4.637 9 HD21 LEU 1 1HD2 LEU 1 2.343 -3.726 4.741 10 HD22 LEU 1 2HD2 LEU 1 2.300 -2.685 3.318 11 HD23 LEU 1 3HD2 LEU 1 2.450 -1.975 4.926 12 H GLY 2 H GLY 2 6.376 -5.697 2.519 13 HA2 GLY 2 2HA GLY 2 5.089 -6.340 0.003 14 HA3 GLY 2 3HA GLY 2 6.823 -6.622 0.033 15 H GLN 3 H GLN 3 3.762 -7.501 1.547 16 HA GLN 3 HA GLN 3 3.056 -9.412 2.556 17 HB2 GLN 3 2HB GLN 3 5.184 -10.310 0.718 18 HB3 GLN 3 3HB GLN 3 4.785 -11.431 2.012 19 HG2 GLN 3 2HG GLN 3 2.498 -11.521 1.316 20 HG3 GLN 3 3HG GLN 3 2.761 -10.240 0.134 21 HE21 GLN 3 1HE2 GLN 3 1.895 -11.742 -1.411 22 HE22 GLN 3 2HE2 GLN 3 2.914 -12.957 -2.096 23 H GLN 4 H GLN 4 3.800 -8.127 4.496 24 HA GLN 4 HA GLN 4 4.822 -7.984 6.527 25 HB2 GLN 4 2HB GLN 4 3.713 -10.135 6.821 26 HB3 GLN 4 3HB GLN 4 5.074 -10.963 6.076 27 HG2 GLN 4 2HG GLN 4 6.433 -10.671 7.911 28 HG3 GLN 4 3HG GLN 4 5.516 -9.286 8.500 29 HE21 GLN 4 1HE2 GLN 4 5.006 -9.945 10.502 30 HE22 GLN 4 2HE2 GLN 4 4.077 -11.356 10.866 31 H GLN 5 H GLN 5 6.564 -6.785 5.424 32 HA GLN 5 HA GLN 5 8.920 -7.833 4.461 33 HB2 GLN 5 2HB GLN 5 7.975 -5.297 5.144 34 HB3 GLN 5 3HB GLN 5 9.434 -5.499 6.104 35 HG2 GLN 5 2HG GLN 5 10.716 -5.982 4.105 36 HG3 GLN 5 3HG GLN 5 9.257 -5.862 3.122 37 HE21 GLN 5 1HE2 GLN 5 9.230 -4.054 2.013 38 HE22 GLN 5 2HE2 GLN 5 9.758 -2.505 2.566 39 H ALA 6 H ALA 6 8.077 -7.110 7.829 40 HA ALA 6 HA ALA 6 8.931 -7.852 9.805 41 HB1 ALA 6 1HB ALA 6 9.812 -10.028 9.928 42 HB2 ALA 6 2HB ALA 6 8.684 -10.062 8.572 43 HB3 ALA 6 3HB ALA 6 10.420 -9.965 8.273 44 H PHE 7 H PHE 7 10.141 -5.782 9.659 45 HA PHE 7 HA PHE 7 12.839 -5.713 8.805 46 HB2 PHE 7 2HB PHE 7 10.953 -3.870 9.806 47 HB3 PHE 7 3HB PHE 7 12.331 -3.804 10.900 48 HD1 PHE 7 HD1 PHE 7 11.451 -3.676 7.291 49 HD2 PHE 7 HD2 PHE 7 14.197 -2.550 10.342 50 HE1 PHE 7 HE1 PHE 7 12.653 -2.256 5.681 51 HE2 PHE 7 HE2 PHE 7 15.403 -1.128 8.737 52 HZ PHE 7 HZ PHE 7 14.631 -0.978 6.404 53 HA PRO 8 HA PRO 8 13.953 -6.188 13.482 54 HB2 PRO 8 2HB PRO 8 11.948 -6.883 15.176 55 HB3 PRO 8 3HB PRO 8 12.352 -5.203 14.803 56 HG2 PRO 8 2HG PRO 8 10.176 -6.923 13.676 57 HG3 PRO 8 3HG PRO 8 10.109 -5.226 14.189 58 HD2 PRO 8 2HD PRO 8 10.324 -5.955 11.590 59 HD3 PRO 8 3HD PRO 8 11.049 -4.465 12.227 60 HA PRO 9 HA PRO 9 14.382 -10.564 13.498 61 HB2 PRO 9 2HB PRO 9 14.948 -11.103 16.098 62 HB3 PRO 9 3HB PRO 9 16.091 -10.305 15.011 63 HG2 PRO 9 2HG PRO 9 14.271 -9.102 17.060 64 HG3 PRO 9 3HG PRO 9 15.964 -8.716 16.704 65 HD2 PRO 9 2HD PRO 9 13.905 -7.208 15.801 66 HD3 PRO 9 3HD PRO 9 15.415 -7.406 14.889 67 H GLN 10 H GLN 10 12.508 -11.614 13.054 68 HA GLN 10 HA GLN 10 11.148 -13.008 15.055 69 HB2 GLN 10 2HB GLN 10 10.116 -10.980 15.751 70 HB3 GLN 10 3HB GLN 10 9.775 -10.503 14.093 71 HG2 GLN 10 2HG GLN 10 7.956 -11.862 13.922 72 HG3 GLN 10 3HG GLN 10 8.578 -13.027 15.091 73 HE21 GLN 10 1HE2 GLN 10 7.420 -9.686 14.874 74 HE22 GLN 10 2HE2 GLN 10 6.612 -9.683 16.401 75 H GLN 11 H GLN 11 11.499 -14.662 13.567 76 HA GLN 11 HA GLN 11 10.874 -14.696 10.879 77 HB2 GLN 11 2HB GLN 11 11.343 -16.688 12.961 78 HB3 GLN 11 3HB GLN 11 10.255 -17.262 11.704 79 HG2 GLN 11 2HG GLN 11 12.113 -16.267 10.123 80 HG3 GLN 11 3HG GLN 11 13.125 -16.525 11.543 81 HE21 GLN 11 1HE2 GLN 11 12.926 -18.730 12.533 82 HE22 GLN 11 2HE2 GLN 11 12.829 -20.071 11.449 83 HA PRO 12 HA PRO 12 6.511 -14.756 10.441 84 HB2 PRO 12 2HB PRO 12 6.143 -16.570 8.455 85 HB3 PRO 12 3HB PRO 12 6.835 -14.968 8.176 86 HG2 PRO 12 2HG PRO 12 8.223 -17.601 8.488 87 HG3 PRO 12 3HG PRO 12 8.542 -16.299 7.327 88 HD2 PRO 12 2HD PRO 12 10.033 -16.659 9.559 89 HD3 PRO 12 3HD PRO 12 9.733 -15.055 8.859 90 H TYR 13 H TYR 13 4.573 -16.000 10.732 91 HA TYR 13 HA TYR 13 4.938 -18.697 11.822 92 HB2 TYR 13 2HB TYR 13 4.907 -16.992 13.680 93 HB3 TYR 13 3HB TYR 13 3.258 -16.599 13.204 94 HD1 TYR 13 HD1 TYR 13 1.467 -17.813 14.078 95 HD2 TYR 13 HD2 TYR 13 5.392 -19.437 14.324 96 HE1 TYR 13 HE1 TYR 13 0.619 -19.631 15.500 97 HE2 TYR 13 HE2 TYR 13 4.554 -21.261 15.746 98 HH TYR 13 HH TYR 13 2.379 -21.450 17.403 Start of MODEL 24 1 H1 LEU 1 H LEU 1 7.030 -1.201 1.472 2 HA LEU 1 HA LEU 1 4.610 -1.889 1.283 3 HB2 LEU 1 2HB LEU 1 5.027 -0.118 -1.064 4 HB3 LEU 1 3HB LEU 1 3.955 -1.503 -1.258 5 HG LEU 1 HG LEU 1 3.269 -0.066 1.132 6 HD11 LEU 1 1HD1 LEU 1 2.964 1.617 -1.325 7 HD12 LEU 1 2HD1 LEU 1 4.386 1.766 -0.293 8 HD13 LEU 1 3HD1 LEU 1 2.780 2.071 0.369 9 HD21 LEU 1 1HD2 LEU 1 1.798 -0.457 -1.473 10 HD22 LEU 1 2HD2 LEU 1 1.085 -0.010 0.077 11 HD23 LEU 1 3HD2 LEU 1 1.821 -1.600 -0.130 12 H GLY 2 H GLY 2 5.839 -3.808 1.535 13 HA2 GLY 2 2HA GLY 2 6.301 -5.185 -1.019 14 HA3 GLY 2 3HA GLY 2 7.584 -5.176 0.182 15 H GLN 3 H GLN 3 4.134 -5.426 0.853 16 HA GLN 3 HA GLN 3 2.888 -7.040 1.858 17 HB2 GLN 3 2HB GLN 3 4.765 -8.540 0.142 18 HB3 GLN 3 3HB GLN 3 4.017 -9.470 1.433 19 HG2 GLN 3 2HG GLN 3 1.826 -8.952 0.627 20 HG3 GLN 3 3HG GLN 3 2.481 -7.827 -0.563 21 HE21 GLN 3 1HE2 GLN 3 4.153 -8.879 -2.049 22 HE22 GLN 3 2HE2 GLN 3 3.724 -10.424 -2.691 23 H GLN 4 H GLN 4 3.873 -5.951 3.810 24 HA GLN 4 HA GLN 4 4.701 -6.077 5.924 25 HB2 GLN 4 2HB GLN 4 3.221 -8.033 6.048 26 HB3 GLN 4 3HB GLN 4 4.511 -9.053 5.424 27 HG2 GLN 4 2HG GLN 4 5.865 -8.409 7.428 28 HG3 GLN 4 3HG GLN 4 4.421 -7.624 8.066 29 HE21 GLN 4 1HE2 GLN 4 5.818 -10.687 7.096 30 HE22 GLN 4 2HE2 GLN 4 4.753 -11.683 8.021 31 H GLN 5 H GLN 5 6.691 -5.156 5.088 32 HA GLN 5 HA GLN 5 8.890 -6.518 4.147 33 HB2 GLN 5 2HB GLN 5 8.352 -3.923 5.025 34 HB3 GLN 5 3HB GLN 5 9.688 -4.464 6.034 35 HG2 GLN 5 2HG GLN 5 9.590 -4.255 3.042 36 HG3 GLN 5 3HG GLN 5 10.644 -3.397 4.166 37 HE21 GLN 5 1HE2 GLN 5 11.873 -5.063 5.642 38 HE22 GLN 5 2HE2 GLN 5 12.686 -6.312 4.769 39 H ALA 6 H ALA 6 7.854 -6.074 7.493 40 HA ALA 6 HA ALA 6 8.417 -7.152 9.418 41 HB1 ALA 6 1HB ALA 6 8.992 -9.412 9.326 42 HB2 ALA 6 2HB ALA 6 8.091 -9.141 7.834 43 HB3 ALA 6 3HB ALA 6 9.852 -9.228 7.798 44 H PHE 7 H PHE 7 9.847 -5.236 9.660 45 HA PHE 7 HA PHE 7 12.611 -5.383 9.065 46 HB2 PHE 7 2HB PHE 7 10.838 -3.467 10.133 47 HB3 PHE 7 3HB PHE 7 12.096 -3.699 11.343 48 HD1 PHE 7 HD1 PHE 7 14.426 -3.184 10.830 49 HD2 PHE 7 HD2 PHE 7 11.315 -2.456 8.017 50 HE1 PHE 7 HE1 PHE 7 15.935 -1.728 9.543 51 HE2 PHE 7 HE2 PHE 7 12.820 -1.000 6.725 52 HZ PHE 7 HZ PHE 7 15.133 -0.635 7.487 53 HA PRO 8 HA PRO 8 13.179 -6.558 13.716 54 HB2 PRO 8 2HB PRO 8 10.948 -7.213 15.117 55 HB3 PRO 8 3HB PRO 8 11.564 -5.560 15.010 56 HG2 PRO 8 2HG PRO 8 9.346 -6.858 13.475 57 HG3 PRO 8 3HG PRO 8 9.407 -5.242 14.202 58 HD2 PRO 8 2HD PRO 8 9.811 -5.666 11.559 59 HD3 PRO 8 3HD PRO 8 10.620 -4.362 12.451 60 HA PRO 9 HA PRO 9 13.138 -10.922 13.184 61 HB2 PRO 9 2HB PRO 9 13.373 -11.841 15.728 62 HB3 PRO 9 3HB PRO 9 14.700 -11.056 14.864 63 HG2 PRO 9 2HG PRO 9 12.816 -9.907 16.886 64 HG3 PRO 9 3HG PRO 9 14.568 -9.683 16.736 65 HD2 PRO 9 2HD PRO 9 12.785 -7.842 15.865 66 HD3 PRO 9 3HD PRO 9 14.351 -8.105 15.071 67 H GLN 10 H GLN 10 11.730 -12.598 13.017 68 HA GLN 10 HA GLN 10 9.701 -13.262 14.816 69 HB2 GLN 10 2HB GLN 10 8.577 -11.235 14.280 70 HB3 GLN 10 3HB GLN 10 8.855 -11.454 12.557 71 HG2 GLN 10 2HG GLN 10 7.239 -13.133 12.390 72 HG3 GLN 10 3HG GLN 10 7.199 -13.388 14.134 73 HE21 GLN 10 1HE2 GLN 10 5.396 -12.698 15.007 74 HE22 GLN 10 2HE2 GLN 10 4.491 -11.306 14.528 75 H GLN 11 H GLN 11 10.493 -15.309 14.292 76 HA GLN 11 HA GLN 11 10.230 -16.257 11.555 77 HB2 GLN 11 2HB GLN 11 11.688 -17.085 13.946 78 HB3 GLN 11 3HB GLN 11 10.935 -18.435 13.107 79 HG2 GLN 11 2HG GLN 11 12.015 -17.388 10.994 80 HG3 GLN 11 3HG GLN 11 13.052 -16.560 12.155 81 HE21 GLN 11 1HE2 GLN 11 12.195 -19.592 10.725 82 HE22 GLN 11 2HE2 GLN 11 13.514 -20.506 11.366 83 HA PRO 12 HA PRO 12 6.394 -18.337 11.986 84 HB2 PRO 12 2HB PRO 12 6.823 -20.651 10.633 85 HB3 PRO 12 3HB PRO 12 6.663 -19.085 9.831 86 HG2 PRO 12 2HG PRO 12 9.142 -20.610 10.530 87 HG3 PRO 12 3HG PRO 12 8.750 -19.735 9.038 88 HD2 PRO 12 2HD PRO 12 10.346 -18.693 10.962 89 HD3 PRO 12 3HD PRO 12 9.292 -17.687 9.948 90 H TYR 13 H TYR 13 6.180 -18.787 14.170 91 HA TYR 13 HA TYR 13 7.547 -20.980 15.415 92 HB2 TYR 13 2HB TYR 13 6.909 -18.994 16.703 93 HB3 TYR 13 3HB TYR 13 5.209 -19.321 16.385 94 HD1 TYR 13 HD1 TYR 13 4.298 -19.754 18.488 95 HD2 TYR 13 HD2 TYR 13 7.913 -21.691 17.355 96 HE1 TYR 13 HE1 TYR 13 4.183 -21.142 20.516 97 HE2 TYR 13 HE2 TYR 13 7.808 -23.085 19.379 98 HH TYR 13 HH TYR 13 6.747 -23.467 21.298 Start of MODEL 25 1 H1 LEU 1 H LEU 1 4.182 -0.782 -0.787 2 HA LEU 1 HA LEU 1 3.243 -2.829 -0.206 3 HB2 LEU 1 2HB LEU 1 5.240 -3.675 -2.184 4 HB3 LEU 1 3HB LEU 1 4.923 -4.849 -0.908 5 HG LEU 1 HG LEU 1 2.605 -3.665 -2.357 6 HD11 LEU 1 1HD1 LEU 1 4.533 -5.670 -3.488 7 HD12 LEU 1 2HD1 LEU 1 3.903 -4.203 -4.237 8 HD13 LEU 1 3HD1 LEU 1 2.845 -5.593 -3.996 9 HD21 LEU 1 1HD2 LEU 1 1.487 -5.474 -1.578 10 HD22 LEU 1 2HD2 LEU 1 2.761 -5.431 -0.359 11 HD23 LEU 1 3HD2 LEU 1 2.884 -6.541 -1.724 12 H GLY 2 H GLY 2 3.729 -4.429 1.459 13 HA2 GLY 2 2HA GLY 2 6.308 -4.502 2.692 14 HA3 GLY 2 3HA GLY 2 5.202 -3.455 3.569 15 H GLN 3 H GLN 3 3.212 -4.396 4.381 16 HA GLN 3 HA GLN 3 2.058 -5.968 5.550 17 HB2 GLN 3 2HB GLN 3 3.082 -7.426 3.196 18 HB3 GLN 3 3HB GLN 3 2.594 -8.433 4.552 19 HG2 GLN 3 2HG GLN 3 0.382 -7.524 4.515 20 HG3 GLN 3 3HG GLN 3 0.845 -6.329 3.304 21 HE21 GLN 3 1HE2 GLN 3 -1.156 -8.581 3.381 22 HE22 GLN 3 2HE2 GLN 3 -0.852 -9.471 1.933 23 H GLN 4 H GLN 4 3.730 -5.315 7.206 24 HA GLN 4 HA GLN 4 5.154 -5.837 8.904 25 HB2 GLN 4 2HB GLN 4 3.428 -7.462 9.439 26 HB3 GLN 4 3HB GLN 4 4.116 -8.611 8.299 27 HG2 GLN 4 2HG GLN 4 5.381 -9.438 9.906 28 HG3 GLN 4 3HG GLN 4 6.170 -7.872 10.089 29 HE21 GLN 4 1HE2 GLN 4 6.341 -7.635 12.221 30 HE22 GLN 4 2HE2 GLN 4 5.029 -7.714 13.342 31 H GLN 5 H GLN 5 6.926 -5.204 7.473 32 HA GLN 5 HA GLN 5 8.394 -6.853 5.830 33 HB2 GLN 5 2HB GLN 5 8.702 -4.299 6.914 34 HB3 GLN 5 3HB GLN 5 10.143 -5.171 7.418 35 HG2 GLN 5 2HG GLN 5 9.242 -5.259 4.571 36 HG3 GLN 5 3HG GLN 5 10.153 -3.879 5.184 37 HE21 GLN 5 1HE2 GLN 5 11.127 -5.459 3.159 38 HE22 GLN 5 2HE2 GLN 5 12.498 -6.343 3.727 39 H ALA 6 H ALA 6 8.581 -6.533 9.343 40 HA ALA 6 HA ALA 6 9.503 -7.855 10.950 41 HB1 ALA 6 1HB ALA 6 8.490 -9.800 10.446 42 HB2 ALA 6 2HB ALA 6 8.931 -9.711 8.741 43 HB3 ALA 6 3HB ALA 6 10.106 -10.280 9.927 44 H PHE 7 H PHE 7 11.326 -6.302 10.692 45 HA PHE 7 HA PHE 7 13.631 -6.986 9.198 46 HB2 PHE 7 2HB PHE 7 12.791 -4.826 10.803 47 HB3 PHE 7 3HB PHE 7 14.289 -5.413 11.518 48 HD1 PHE 7 HD1 PHE 7 15.993 -6.153 9.418 49 HD2 PHE 7 HD2 PHE 7 13.142 -2.994 9.483 50 HE1 PHE 7 HE1 PHE 7 17.283 -4.958 7.696 51 HE2 PHE 7 HE2 PHE 7 14.427 -1.794 7.761 52 HZ PHE 7 HZ PHE 7 16.500 -2.777 6.865 53 HA PRO 8 HA PRO 8 15.417 -8.612 13.382 54 HB2 PRO 8 2HB PRO 8 13.684 -8.884 15.454 55 HB3 PRO 8 3HB PRO 8 14.587 -7.396 15.147 56 HG2 PRO 8 2HG PRO 8 11.755 -8.071 14.450 57 HG3 PRO 8 3HG PRO 8 12.416 -6.566 15.116 58 HD2 PRO 8 2HD PRO 8 11.820 -6.860 12.491 59 HD3 PRO 8 3HD PRO 8 13.151 -5.831 13.059 60 HA PRO 9 HA PRO 9 14.217 -12.813 12.891 61 HB2 PRO 9 2HB PRO 9 15.061 -13.954 15.205 62 HB3 PRO 9 3HB PRO 9 16.171 -13.405 13.944 63 HG2 PRO 9 2HG PRO 9 15.368 -12.042 16.486 64 HG3 PRO 9 3HG PRO 9 16.977 -12.185 15.752 65 HD2 PRO 9 2HD PRO 9 15.471 -9.945 15.537 66 HD3 PRO 9 3HD PRO 9 16.587 -10.472 14.260 67 H GLN 10 H GLN 10 11.926 -12.498 12.893 68 HA GLN 10 HA GLN 10 10.528 -14.025 14.765 69 HB2 GLN 10 2HB GLN 10 10.821 -12.299 16.376 70 HB3 GLN 10 3HB GLN 10 10.411 -11.046 15.213 71 HG2 GLN 10 2HG GLN 10 8.279 -12.984 15.548 72 HG3 GLN 10 3HG GLN 10 8.718 -12.188 17.059 73 HE21 GLN 10 1HE2 GLN 10 6.521 -12.036 14.809 74 HE22 GLN 10 2HE2 GLN 10 6.267 -10.333 14.672 75 H GLN 11 H GLN 11 9.693 -14.836 12.829 76 HA GLN 11 HA GLN 11 7.864 -13.038 11.384 77 HB2 GLN 11 2HB GLN 11 9.746 -15.081 10.501 78 HB3 GLN 11 3HB GLN 11 8.136 -15.320 9.835 79 HG2 GLN 11 2HG GLN 11 8.673 -13.847 8.275 80 HG3 GLN 11 3HG GLN 11 8.600 -12.609 9.527 81 HE21 GLN 11 1HE2 GLN 11 10.615 -14.461 7.458 82 HE22 GLN 11 2HE2 GLN 11 12.114 -13.713 7.879 83 HA PRO 12 HA PRO 12 4.349 -15.369 12.585 84 HB2 PRO 12 2HB PRO 12 2.865 -15.411 10.312 85 HB3 PRO 12 3HB PRO 12 3.084 -13.955 11.290 86 HG2 PRO 12 2HG PRO 12 4.492 -14.781 8.780 87 HG3 PRO 12 3HG PRO 12 3.864 -13.187 9.238 88 HD2 PRO 12 2HD PRO 12 6.486 -13.833 9.442 89 HD3 PRO 12 3HD PRO 12 5.690 -12.708 10.561 90 H TYR 13 H TYR 13 4.574 -17.476 13.035 91 HA TYR 13 HA TYR 13 5.392 -19.361 10.988 92 HB2 TYR 13 2HB TYR 13 5.727 -19.214 13.754 93 HB3 TYR 13 3HB TYR 13 4.605 -20.549 13.519 94 HD1 TYR 13 HD1 TYR 13 8.026 -19.440 13.236 95 HD2 TYR 13 HD2 TYR 13 5.281 -22.464 12.044 96 HE1 TYR 13 HE1 TYR 13 9.909 -20.908 12.644 97 HE2 TYR 13 HE2 TYR 13 7.156 -23.941 11.450 98 HH TYR 13 HH TYR 13 10.378 -23.275 12.353 Start of MODEL 26 1 H1 LEU 1 H LEU 1 8.310 -10.886 0.348 2 HA LEU 1 HA LEU 1 7.568 -8.380 1.523 3 HB2 LEU 1 2HB LEU 1 8.898 -9.211 -0.781 4 HB3 LEU 1 3HB LEU 1 7.428 -8.432 -1.363 5 HG LEU 1 HG LEU 1 8.146 -6.491 0.213 6 HD11 LEU 1 1HD1 LEU 1 10.661 -6.331 0.279 7 HD12 LEU 1 2HD1 LEU 1 10.697 -8.053 -0.099 8 HD13 LEU 1 3HD1 LEU 1 9.935 -7.492 1.390 9 HD21 LEU 1 1HD2 LEU 1 9.816 -6.936 -2.246 10 HD22 LEU 1 2HD2 LEU 1 9.198 -5.417 -1.598 11 HD23 LEU 1 3HD2 LEU 1 8.091 -6.581 -2.326 12 H GLY 2 H GLY 2 5.556 -7.772 1.943 13 HA2 GLY 2 2HA GLY 2 3.449 -7.254 0.539 14 HA3 GLY 2 3HA GLY 2 3.361 -9.005 0.419 15 H GLN 3 H GLN 3 3.072 -6.251 2.555 16 HA GLN 3 HA GLN 3 1.982 -5.953 4.529 17 HB2 GLN 3 2HB GLN 3 0.582 -8.224 3.264 18 HB3 GLN 3 3HB GLN 3 0.341 -8.063 4.999 19 HG2 GLN 3 2HG GLN 3 -0.517 -5.845 4.739 20 HG3 GLN 3 3HG GLN 3 -0.108 -5.840 3.024 21 HE21 GLN 3 1HE2 GLN 3 -1.027 -8.090 2.035 22 HE22 GLN 3 2HE2 GLN 3 -2.729 -8.261 2.277 23 H GLN 4 H GLN 4 4.244 -6.413 5.329 24 HA GLN 4 HA GLN 4 4.112 -8.027 7.633 25 HB2 GLN 4 2HB GLN 4 4.379 -9.801 5.866 26 HB3 GLN 4 3HB GLN 4 5.957 -9.115 5.503 27 HG2 GLN 4 2HG GLN 4 6.288 -10.982 6.927 28 HG3 GLN 4 3HG GLN 4 6.603 -9.528 7.872 29 HE21 GLN 4 1HE2 GLN 4 3.975 -11.770 7.078 30 HE22 GLN 4 2HE2 GLN 4 3.264 -11.766 8.652 31 H GLN 5 H GLN 5 4.750 -5.822 8.221 32 HA GLN 5 HA GLN 5 7.067 -4.525 7.494 33 HB2 GLN 5 2HB GLN 5 5.111 -4.203 9.459 34 HB3 GLN 5 3HB GLN 5 6.622 -4.304 10.352 35 HG2 GLN 5 2HG GLN 5 6.341 -2.032 9.944 36 HG3 GLN 5 3HG GLN 5 7.503 -2.552 8.725 37 HE21 GLN 5 1HE2 GLN 5 5.142 -0.499 9.079 38 HE22 GLN 5 2HE2 GLN 5 4.383 -0.557 7.529 39 H ALA 6 H ALA 6 6.691 -6.753 10.254 40 HA ALA 6 HA ALA 6 8.178 -8.085 11.347 41 HB1 ALA 6 1HB ALA 6 8.854 -9.367 9.626 42 HB2 ALA 6 2HB ALA 6 9.206 -7.981 8.593 43 HB3 ALA 6 3HB ALA 6 10.368 -8.484 9.819 44 H PHE 7 H PHE 7 8.399 -6.119 12.721 45 HA PHE 7 HA PHE 7 10.605 -4.369 12.429 46 HB2 PHE 7 2HB PHE 7 8.396 -4.617 14.165 47 HB3 PHE 7 3HB PHE 7 9.829 -4.659 15.186 48 HD1 PHE 7 HD1 PHE 7 8.826 -2.766 12.127 49 HD2 PHE 7 HD2 PHE 7 10.296 -2.625 16.119 50 HE1 PHE 7 HE1 PHE 7 9.001 -0.317 11.972 51 HE2 PHE 7 HE2 PHE 7 10.472 -0.175 15.971 52 HZ PHE 7 HZ PHE 7 9.823 0.982 13.896 53 HA PRO 8 HA PRO 8 12.763 -7.117 15.764 54 HB2 PRO 8 2HB PRO 8 11.600 -9.496 16.361 55 HB3 PRO 8 3HB PRO 8 11.216 -7.998 17.217 56 HG2 PRO 8 2HG PRO 8 9.719 -9.354 15.007 57 HG3 PRO 8 3HG PRO 8 9.093 -8.603 16.486 58 HD2 PRO 8 2HD PRO 8 9.033 -7.358 14.082 59 HD3 PRO 8 3HD PRO 8 9.222 -6.475 15.610 60 HA PRO 9 HA PRO 9 14.887 -9.780 12.984 61 HB2 PRO 9 2HB PRO 9 16.149 -11.510 14.654 62 HB3 PRO 9 3HB PRO 9 16.628 -9.817 14.484 63 HG2 PRO 9 2HG PRO 9 14.949 -11.107 16.600 64 HG3 PRO 9 3HG PRO 9 16.236 -9.899 16.775 65 HD2 PRO 9 2HD PRO 9 13.608 -9.249 16.842 66 HD3 PRO 9 3HD PRO 9 14.846 -8.153 16.197 67 H GLN 10 H GLN 10 14.972 -11.889 12.058 68 HA GLN 10 HA GLN 10 13.974 -13.785 11.283 69 HB2 GLN 10 2HB GLN 10 15.009 -14.737 13.254 70 HB3 GLN 10 3HB GLN 10 13.660 -14.218 14.257 71 HG2 GLN 10 2HG GLN 10 12.274 -15.870 13.494 72 HG3 GLN 10 3HG GLN 10 13.120 -16.021 11.955 73 HE21 GLN 10 1HE2 GLN 10 12.638 -18.329 12.879 74 HE22 GLN 10 2HE2 GLN 10 13.970 -19.058 13.704 75 H GLN 11 H GLN 11 12.253 -12.481 10.351 76 HA GLN 11 HA GLN 11 9.861 -11.804 11.543 77 HB2 GLN 11 2HB GLN 11 8.886 -12.128 9.195 78 HB3 GLN 11 3HB GLN 11 10.211 -10.985 9.373 79 HG2 GLN 11 2HG GLN 11 11.615 -12.210 8.118 80 HG3 GLN 11 3HG GLN 11 10.999 -13.743 8.731 81 HE21 GLN 11 1HE2 GLN 11 11.072 -14.510 6.563 82 HE22 GLN 11 2HE2 GLN 11 9.816 -14.107 5.448 83 HA PRO 12 HA PRO 12 7.636 -15.489 12.386 84 HB2 PRO 12 2HB PRO 12 5.089 -14.738 11.818 85 HB3 PRO 12 3HB PRO 12 5.968 -14.158 13.237 86 HG2 PRO 12 2HG PRO 12 5.521 -12.808 10.603 87 HG3 PRO 12 3HG PRO 12 5.425 -12.129 12.238 88 HD2 PRO 12 2HD PRO 12 7.583 -11.781 10.640 89 HD3 PRO 12 3HD PRO 12 7.711 -11.888 12.408 90 H TYR 13 H TYR 13 7.313 -17.344 11.325 91 HA TYR 13 HA TYR 13 6.815 -17.222 8.434 92 HB2 TYR 13 2HB TYR 13 8.852 -18.434 9.458 93 HB3 TYR 13 3HB TYR 13 7.699 -19.676 9.934 94 HD1 TYR 13 HD1 TYR 13 8.062 -17.648 6.814 95 HD2 TYR 13 HD2 TYR 13 7.984 -21.521 8.574 96 HE1 TYR 13 HE1 TYR 13 8.240 -18.660 4.580 97 HE2 TYR 13 HE2 TYR 13 8.163 -22.544 6.344 98 HH TYR 13 HH TYR 13 8.548 -22.159 4.167 Start of MODEL 27 1 H1 LEU 1 H LEU 1 3.294 -9.401 -3.581 2 HA LEU 1 HA LEU 1 2.685 -7.479 -2.231 3 HB2 LEU 1 2HB LEU 1 0.220 -8.438 -2.499 4 HB3 LEU 1 3HB LEU 1 0.568 -9.073 -0.892 5 HG LEU 1 HG LEU 1 1.222 -6.252 -1.118 6 HD11 LEU 1 1HD1 LEU 1 -1.682 -6.976 -1.434 7 HD12 LEU 1 2HD1 LEU 1 -0.663 -6.420 -2.761 8 HD13 LEU 1 3HD1 LEU 1 -0.967 -5.365 -1.382 9 HD21 LEU 1 1HD2 LEU 1 0.542 -8.054 0.840 10 HD22 LEU 1 2HD2 LEU 1 -0.916 -7.074 0.685 11 HD23 LEU 1 3HD2 LEU 1 0.632 -6.304 1.036 12 H GLY 2 H GLY 2 3.252 -7.200 -0.002 13 HA2 GLY 2 2HA GLY 2 3.861 -9.562 1.572 14 HA3 GLY 2 3HA GLY 2 5.261 -8.663 1.006 15 H GLN 3 H GLN 3 5.529 -6.469 1.712 16 HA GLN 3 HA GLN 3 5.593 -4.837 3.295 17 HB2 GLN 3 2HB GLN 3 2.749 -5.621 3.180 18 HB3 GLN 3 3HB GLN 3 3.237 -4.767 4.638 19 HG2 GLN 3 2HG GLN 3 4.005 -2.895 3.363 20 HG3 GLN 3 3HG GLN 3 3.748 -3.763 1.850 21 HE21 GLN 3 1HE2 GLN 3 2.537 -1.666 1.523 22 HE22 GLN 3 2HE2 GLN 3 0.862 -1.668 1.948 23 H GLN 4 H GLN 4 7.110 -6.479 4.280 24 HA GLN 4 HA GLN 4 6.696 -6.584 7.064 25 HB2 GLN 4 2HB GLN 4 5.169 -8.442 6.321 26 HB3 GLN 4 3HB GLN 4 6.591 -9.290 5.728 27 HG2 GLN 4 2HG GLN 4 5.760 -9.989 7.990 28 HG3 GLN 4 3HG GLN 4 7.466 -9.552 7.899 29 HE21 GLN 4 1HE2 GLN 4 8.116 -8.447 9.586 30 HE22 GLN 4 2HE2 GLN 4 7.187 -7.296 10.478 31 H GLN 5 H GLN 5 8.756 -5.480 6.279 32 HA GLN 5 HA GLN 5 10.950 -6.778 5.243 33 HB2 GLN 5 2HB GLN 5 12.279 -5.036 6.115 34 HB3 GLN 5 3HB GLN 5 10.699 -4.315 5.840 35 HG2 GLN 5 2HG GLN 5 10.200 -4.699 8.260 36 HG3 GLN 5 3HG GLN 5 11.884 -5.180 8.463 37 HE21 GLN 5 1HE2 GLN 5 9.775 -2.669 8.703 38 HE22 GLN 5 2HE2 GLN 5 10.887 -1.349 8.619 39 H ALA 6 H ALA 6 9.633 -6.946 8.474 40 HA ALA 6 HA ALA 6 10.085 -8.299 10.248 41 HB1 ALA 6 1HB ALA 6 11.046 -9.825 7.923 42 HB2 ALA 6 2HB ALA 6 11.692 -10.330 9.485 43 HB3 ALA 6 3HB ALA 6 9.949 -10.297 9.220 44 H PHE 7 H PHE 7 11.354 -6.374 10.949 45 HA PHE 7 HA PHE 7 14.169 -6.294 10.655 46 HB2 PHE 7 2HB PHE 7 12.175 -4.662 11.803 47 HB3 PHE 7 3HB PHE 7 13.312 -5.030 13.096 48 HD1 PHE 7 HD1 PHE 7 13.559 -4.220 9.457 49 HD2 PHE 7 HD2 PHE 7 14.891 -3.410 13.418 50 HE1 PHE 7 HE1 PHE 7 15.094 -2.505 8.587 51 HE2 PHE 7 HE2 PHE 7 16.428 -1.694 12.554 52 HZ PHE 7 HZ PHE 7 16.530 -1.239 10.136 53 HA PRO 8 HA PRO 8 14.320 -8.186 15.098 54 HB2 PRO 8 2HB PRO 8 12.000 -9.161 16.116 55 HB3 PRO 8 3HB PRO 8 12.519 -7.486 16.341 56 HG2 PRO 8 2HG PRO 8 10.560 -8.616 14.379 57 HG3 PRO 8 3HG PRO 8 10.442 -7.139 15.354 58 HD2 PRO 8 2HD PRO 8 11.146 -7.107 12.739 59 HD3 PRO 8 3HD PRO 8 11.774 -5.931 13.911 60 HA PRO 9 HA PRO 9 14.614 -12.398 13.873 61 HB2 PRO 9 2HB PRO 9 14.669 -13.707 16.251 62 HB3 PRO 9 3HB PRO 9 16.018 -12.728 15.662 63 HG2 PRO 9 2HG PRO 9 13.883 -12.017 17.636 64 HG3 PRO 9 3HG PRO 9 15.624 -11.687 17.704 65 HD2 PRO 9 2HD PRO 9 13.815 -9.817 16.955 66 HD3 PRO 9 3HD PRO 9 15.462 -9.870 16.294 67 H GLN 10 H GLN 10 13.555 -14.502 13.884 68 HA GLN 10 HA GLN 10 11.718 -15.825 13.670 69 HB2 GLN 10 2HB GLN 10 11.734 -15.926 16.067 70 HB3 GLN 10 3HB GLN 10 10.975 -14.345 16.194 71 HG2 GLN 10 2HG GLN 10 8.898 -15.143 15.698 72 HG3 GLN 10 3HG GLN 10 9.521 -16.483 14.737 73 HE21 GLN 10 1HE2 GLN 10 8.647 -18.218 15.662 74 HE22 GLN 10 2HE2 GLN 10 8.794 -18.638 17.332 75 H GLN 11 H GLN 11 11.128 -14.795 11.698 76 HA GLN 11 HA GLN 11 9.612 -12.513 11.380 77 HB2 GLN 11 2HB GLN 11 10.151 -14.923 9.790 78 HB3 GLN 11 3HB GLN 11 8.637 -14.123 9.391 79 HG2 GLN 11 2HG GLN 11 9.670 -12.242 8.609 80 HG3 GLN 11 3HG GLN 11 11.093 -12.468 9.626 81 HE21 GLN 11 1HE2 GLN 11 10.137 -12.420 6.551 82 HE22 GLN 11 2HE2 GLN 11 11.264 -13.523 5.847 83 HA PRO 12 HA PRO 12 5.539 -13.302 12.799 84 HB2 PRO 12 2HB PRO 12 4.011 -12.115 10.895 85 HB3 PRO 12 3HB PRO 12 4.974 -11.201 12.062 86 HG2 PRO 12 2HG PRO 12 5.599 -11.889 9.216 87 HG3 PRO 12 3HG PRO 12 5.836 -10.356 10.074 88 HD2 PRO 12 2HD PRO 12 7.854 -12.107 9.636 89 HD3 PRO 12 3HD PRO 12 7.783 -11.073 11.078 90 H TYR 13 H TYR 13 5.542 -15.600 12.563 91 HA TYR 13 HA TYR 13 4.407 -16.654 10.077 92 HB2 TYR 13 2HB TYR 13 6.427 -17.754 10.960 93 HB3 TYR 13 3HB TYR 13 5.572 -18.120 12.454 94 HD1 TYR 13 HD1 TYR 13 6.157 -19.103 9.022 95 HD2 TYR 13 HD2 TYR 13 3.675 -19.738 12.418 96 HE1 TYR 13 HE1 TYR 13 5.364 -21.215 8.040 97 HE2 TYR 13 HE2 TYR 13 2.876 -21.852 11.447 98 HH TYR 13 HH TYR 13 2.707 -22.747 8.877 Start of MODEL 28 1 H1 LEU 1 H LEU 1 5.504 -0.485 8.233 2 HA LEU 1 HA LEU 1 4.302 -2.170 6.731 3 HB2 LEU 1 2HB LEU 1 6.138 -0.017 5.941 4 HB3 LEU 1 3HB LEU 1 5.754 -1.170 4.665 5 HG LEU 1 HG LEU 1 3.276 -0.660 5.456 6 HD11 LEU 1 1HD1 LEU 1 2.942 1.571 6.195 7 HD12 LEU 1 2HD1 LEU 1 4.655 1.953 6.027 8 HD13 LEU 1 3HD1 LEU 1 4.120 0.838 7.284 9 HD21 LEU 1 1HD2 LEU 1 4.484 1.501 3.820 10 HD22 LEU 1 2HD2 LEU 1 3.056 0.510 3.516 11 HD23 LEU 1 3HD2 LEU 1 4.667 -0.160 3.253 12 H GLY 2 H GLY 2 4.537 -3.943 5.425 13 HA2 GLY 2 2HA GLY 2 7.265 -5.042 5.167 14 HA3 GLY 2 3HA GLY 2 5.924 -6.047 5.697 15 H GLN 3 H GLN 3 4.053 -6.175 4.158 16 HA GLN 3 HA GLN 3 3.218 -6.763 2.126 17 HB2 GLN 3 2HB GLN 3 4.952 -4.443 1.551 18 HB3 GLN 3 3HB GLN 3 4.564 -5.455 0.166 19 HG2 GLN 3 2HG GLN 3 2.219 -5.131 0.503 20 HG3 GLN 3 3HG GLN 3 2.508 -4.288 2.024 21 HE21 GLN 3 1HE2 GLN 3 1.999 -3.946 -1.258 22 HE22 GLN 3 2HE2 GLN 3 2.454 -2.288 -1.426 23 H GLN 4 H GLN 4 4.374 -8.823 2.751 24 HA GLN 4 HA GLN 4 5.576 -10.664 2.171 25 HB2 GLN 4 2HB GLN 4 4.399 -10.472 0.067 26 HB3 GLN 4 3HB GLN 4 5.546 -9.271 -0.510 27 HG2 GLN 4 2HG GLN 4 6.768 -10.881 -1.393 28 HG3 GLN 4 3HG GLN 4 7.036 -11.549 0.216 29 HE21 GLN 4 1HE2 GLN 4 5.176 -11.758 -2.706 30 HE22 GLN 4 2HE2 GLN 4 4.462 -13.298 -2.384 31 H GLN 5 H GLN 5 7.276 -9.917 3.598 32 HA GLN 5 HA GLN 5 9.820 -10.071 2.472 33 HB2 GLN 5 2HB GLN 5 8.748 -7.514 2.151 34 HB3 GLN 5 3HB GLN 5 9.835 -7.369 3.526 35 HG2 GLN 5 2HG GLN 5 10.729 -8.689 0.996 36 HG3 GLN 5 3HG GLN 5 10.748 -6.934 1.165 37 HE21 GLN 5 1HE2 GLN 5 13.096 -7.656 0.718 38 HE22 GLN 5 2HE2 GLN 5 14.083 -7.861 2.121 39 H ALA 6 H ALA 6 8.053 -8.479 5.115 40 HA ALA 6 HA ALA 6 8.254 -8.619 7.378 41 HB1 ALA 6 1HB ALA 6 8.240 -11.098 6.755 42 HB2 ALA 6 2HB ALA 6 9.982 -11.046 7.027 43 HB3 ALA 6 3HB ALA 6 8.873 -10.658 8.342 44 H PHE 7 H PHE 7 9.594 -6.655 7.032 45 HA PHE 7 HA PHE 7 12.422 -6.789 7.024 46 HB2 PHE 7 2HB PHE 7 10.461 -4.768 6.878 47 HB3 PHE 7 3HB PHE 7 11.469 -4.373 8.266 48 HD1 PHE 7 HD1 PHE 7 13.881 -3.983 7.975 49 HD2 PHE 7 HD2 PHE 7 11.289 -4.602 4.656 50 HE1 PHE 7 HE1 PHE 7 15.592 -3.056 6.470 51 HE2 PHE 7 HE2 PHE 7 12.996 -3.676 3.145 52 HZ PHE 7 HZ PHE 7 15.151 -2.902 4.052 53 HA PRO 8 HA PRO 8 12.114 -5.902 11.763 54 HB2 PRO 8 2HB PRO 8 9.665 -6.119 12.915 55 HB3 PRO 8 3HB PRO 8 10.274 -4.608 12.230 56 HG2 PRO 8 2HG PRO 8 8.399 -6.610 11.032 57 HG3 PRO 8 3HG PRO 8 8.305 -4.839 11.015 58 HD2 PRO 8 2HD PRO 8 9.205 -6.271 8.900 59 HD3 PRO 8 3HD PRO 8 9.818 -4.651 9.286 60 HA PRO 9 HA PRO 9 12.217 -10.087 13.108 61 HB2 PRO 9 2HB PRO 9 11.977 -9.858 15.803 62 HB3 PRO 9 3HB PRO 9 13.436 -9.383 14.925 63 HG2 PRO 9 2HG PRO 9 11.192 -7.678 15.934 64 HG3 PRO 9 3HG PRO 9 12.940 -7.382 16.000 65 HD2 PRO 9 2HD PRO 9 11.334 -6.223 14.152 66 HD3 PRO 9 3HD PRO 9 13.025 -6.649 13.816 67 H GLN 10 H GLN 10 10.922 -11.828 13.586 68 HA GLN 10 HA GLN 10 8.549 -11.788 15.056 69 HB2 GLN 10 2HB GLN 10 7.556 -10.401 13.398 70 HB3 GLN 10 3HB GLN 10 8.213 -11.375 12.089 71 HG2 GLN 10 2HG GLN 10 6.611 -12.978 12.287 72 HG3 GLN 10 3HG GLN 10 6.382 -12.695 14.011 73 HE21 GLN 10 1HE2 GLN 10 4.128 -12.689 13.671 74 HE22 GLN 10 2HE2 GLN 10 3.329 -11.311 13.003 75 H GLN 11 H GLN 11 9.436 -13.735 15.762 76 HA GLN 11 HA GLN 11 9.027 -15.979 13.913 77 HB2 GLN 11 2HB GLN 11 11.511 -15.216 15.320 78 HB3 GLN 11 3HB GLN 11 11.086 -16.920 15.403 79 HG2 GLN 11 2HG GLN 11 10.736 -16.138 12.726 80 HG3 GLN 11 3HG GLN 11 12.271 -15.454 13.260 81 HE21 GLN 11 1HE2 GLN 11 11.788 -17.573 11.345 82 HE22 GLN 11 2HE2 GLN 11 12.618 -18.967 11.937 83 HA PRO 12 HA PRO 12 6.832 -16.583 17.960 84 HB2 PRO 12 2HB PRO 12 4.495 -17.388 16.837 85 HB3 PRO 12 3HB PRO 12 4.889 -15.689 17.122 86 HG2 PRO 12 2HG PRO 12 5.090 -17.282 14.596 87 HG3 PRO 12 3HG PRO 12 4.483 -15.633 14.833 88 HD2 PRO 12 2HD PRO 12 6.967 -16.149 13.886 89 HD3 PRO 12 3HD PRO 12 6.601 -14.725 14.883 90 H TYR 13 H TYR 13 6.556 -18.515 18.997 91 HA TYR 13 HA TYR 13 7.023 -20.943 17.393 92 HB2 TYR 13 2HB TYR 13 8.655 -20.023 19.329 93 HB3 TYR 13 3HB TYR 13 7.568 -21.002 20.307 94 HD1 TYR 13 HD1 TYR 13 7.702 -23.370 20.288 95 HD2 TYR 13 HD2 TYR 13 9.937 -21.100 17.468 96 HE1 TYR 13 HE1 TYR 13 8.949 -25.393 19.657 97 HE2 TYR 13 HE2 TYR 13 11.190 -23.117 16.829 98 HH TYR 13 HH TYR 13 11.787 -25.340 17.933 Start of MODEL 29 1 H1 LEU 1 H LEU 1 4.252 -13.173 3.895 2 HA LEU 1 HA LEU 1 6.453 -12.194 2.200 3 HB2 LEU 1 2HB LEU 1 3.851 -12.222 1.446 4 HB3 LEU 1 3HB LEU 1 3.957 -10.637 2.208 5 HG LEU 1 HG LEU 1 6.124 -10.548 0.596 6 HD11 LEU 1 1HD1 LEU 1 5.726 -11.559 -1.488 7 HD12 LEU 1 2HD1 LEU 1 4.074 -11.996 -1.054 8 HD13 LEU 1 3HD1 LEU 1 5.433 -12.823 -0.294 9 HD21 LEU 1 1HD2 LEU 1 3.264 -9.773 0.133 10 HD22 LEU 1 2HD2 LEU 1 4.525 -9.381 -1.036 11 HD23 LEU 1 3HD2 LEU 1 4.625 -8.759 0.612 12 H GLY 2 H GLY 2 7.357 -10.204 2.733 13 HA2 GLY 2 2HA GLY 2 7.107 -9.478 5.515 14 HA3 GLY 2 3HA GLY 2 8.227 -8.787 4.350 15 H GLN 3 H GLN 3 7.699 -6.923 3.284 16 HA GLN 3 HA GLN 3 6.659 -4.939 2.891 17 HB2 GLN 3 2HB GLN 3 4.457 -6.904 2.984 18 HB3 GLN 3 3HB GLN 3 3.980 -5.227 3.212 19 HG2 GLN 3 2HG GLN 3 4.927 -4.603 1.106 20 HG3 GLN 3 3HG GLN 3 5.629 -6.207 0.896 21 HE21 GLN 3 1HE2 GLN 3 4.259 -5.532 -1.157 22 HE22 GLN 3 2HE2 GLN 3 2.680 -6.231 -1.198 23 H GLN 4 H GLN 4 7.747 -4.462 5.025 24 HA GLN 4 HA GLN 4 7.753 -3.463 7.070 25 HB2 GLN 4 2HB GLN 4 6.423 -1.797 5.839 26 HB3 GLN 4 3HB GLN 4 4.952 -2.667 6.256 27 HG2 GLN 4 2HG GLN 4 5.908 -2.293 8.711 28 HG3 GLN 4 3HG GLN 4 6.655 -0.910 7.913 29 HE21 GLN 4 1HE2 GLN 4 5.181 0.482 6.651 30 HE22 GLN 4 2HE2 GLN 4 3.590 0.748 7.267 31 H GLN 5 H GLN 5 7.788 -5.667 7.968 32 HA GLN 5 HA GLN 5 6.083 -5.942 10.153 33 HB2 GLN 5 2HB GLN 5 4.844 -6.806 7.794 34 HB3 GLN 5 3HB GLN 5 5.351 -8.278 8.613 35 HG2 GLN 5 2HG GLN 5 3.866 -8.026 10.280 36 HG3 GLN 5 3HG GLN 5 4.037 -6.271 10.313 37 HE21 GLN 5 1HE2 GLN 5 2.063 -5.480 10.090 38 HE22 GLN 5 2HE2 GLN 5 0.931 -5.923 8.862 39 H ALA 6 H ALA 6 8.005 -6.380 11.195 40 HA ALA 6 HA ALA 6 9.645 -7.679 12.092 41 HB1 ALA 6 1HB ALA 6 8.488 -10.047 10.656 42 HB2 ALA 6 2HB ALA 6 9.329 -9.995 12.206 43 HB3 ALA 6 3HB ALA 6 7.699 -9.337 12.065 44 H PHE 7 H PHE 7 10.998 -6.425 10.553 45 HA PHE 7 HA PHE 7 11.820 -7.531 8.080 46 HB2 PHE 7 2HB PHE 7 12.296 -5.158 9.529 47 HB3 PHE 7 3HB PHE 7 13.874 -5.888 9.253 48 HD1 PHE 7 HD1 PHE 7 14.949 -4.928 7.478 49 HD2 PHE 7 HD2 PHE 7 10.751 -5.585 7.228 50 HE1 PHE 7 HE1 PHE 7 14.952 -4.052 5.178 51 HE2 PHE 7 HE2 PHE 7 10.747 -4.711 4.928 52 HZ PHE 7 HZ PHE 7 12.850 -3.944 3.900 53 HA PRO 8 HA PRO 8 15.727 -9.058 10.476 54 HB2 PRO 8 2HB PRO 8 15.655 -8.932 13.187 55 HB3 PRO 8 3HB PRO 8 16.255 -7.609 12.179 56 HG2 PRO 8 2HG PRO 8 13.574 -7.942 13.469 57 HG3 PRO 8 3HG PRO 8 14.593 -6.494 13.364 58 HD2 PRO 8 2HD PRO 8 12.473 -6.906 11.730 59 HD3 PRO 8 3HD PRO 8 13.925 -6.027 11.208 60 HA PRO 9 HA PRO 9 14.237 -13.082 11.438 61 HB2 PRO 9 2HB PRO 9 16.273 -14.146 12.886 62 HB3 PRO 9 3HB PRO 9 16.382 -13.852 11.146 63 HG2 PRO 9 2HG PRO 9 17.424 -12.202 13.416 64 HG3 PRO 9 3HG PRO 9 18.211 -12.619 11.882 65 HD2 PRO 9 2HD PRO 9 17.036 -10.217 12.311 66 HD3 PRO 9 3HD PRO 9 17.077 -10.988 10.712 67 H GLN 10 H GLN 10 12.535 -13.247 12.775 68 HA GLN 10 HA GLN 10 12.813 -13.947 15.464 69 HB2 GLN 10 2HB GLN 10 13.388 -11.696 15.978 70 HB3 GLN 10 3HB GLN 10 12.095 -11.061 14.969 71 HG2 GLN 10 2HG GLN 10 11.098 -12.809 17.054 72 HG3 GLN 10 3HG GLN 10 12.016 -11.449 17.698 73 HE21 GLN 10 1HE2 GLN 10 9.094 -12.163 17.642 74 HE22 GLN 10 2HE2 GLN 10 8.317 -10.746 17.033 75 H GLN 11 H GLN 11 11.373 -15.531 14.739 76 HA GLN 11 HA GLN 11 9.339 -16.509 14.456 77 HB2 GLN 11 2HB GLN 11 8.844 -15.101 16.494 78 HB3 GLN 11 3HB GLN 11 8.160 -13.898 15.408 79 HG2 GLN 11 2HG GLN 11 6.795 -16.043 14.586 80 HG3 GLN 11 3HG GLN 11 7.094 -16.514 16.258 81 HE21 GLN 11 1HE2 GLN 11 6.298 -13.479 14.593 82 HE22 GLN 11 2HE2 GLN 11 4.967 -13.070 15.615 83 HA PRO 12 HA PRO 12 8.890 -14.169 10.444 84 HB2 PRO 12 2HB PRO 12 9.552 -16.268 8.855 85 HB3 PRO 12 3HB PRO 12 10.751 -15.158 9.529 86 HG2 PRO 12 2HG PRO 12 9.938 -17.876 10.484 87 HG3 PRO 12 3HG PRO 12 11.562 -17.177 10.348 88 HD2 PRO 12 2HD PRO 12 10.229 -17.318 12.701 89 HD3 PRO 12 3HD PRO 12 11.358 -16.002 12.321 90 H TYR 13 H TYR 13 6.977 -14.107 9.425 91 HA TYR 13 HA TYR 13 5.159 -16.393 9.775 92 HB2 TYR 13 2HB TYR 13 4.564 -14.074 10.700 93 HB3 TYR 13 3HB TYR 13 4.327 -13.596 9.023 94 HD1 TYR 13 HD1 TYR 13 3.137 -15.900 11.666 95 HD2 TYR 13 HD2 TYR 13 2.348 -14.173 7.858 96 HE1 TYR 13 HE1 TYR 13 0.845 -16.789 11.744 97 HE2 TYR 13 HE2 TYR 13 0.054 -15.057 7.926 98 HH TYR 13 HH TYR 13 -1.064 -17.059 10.635 Start of MODEL 30 1 H1 LEU 1 H LEU 1 6.526 -8.307 8.148 2 HA LEU 1 HA LEU 1 5.662 -8.097 6.002 3 HB2 LEU 1 2HB LEU 1 3.413 -8.698 7.106 4 HB3 LEU 1 3HB LEU 1 3.129 -6.959 7.132 5 HG LEU 1 HG LEU 1 3.904 -8.066 4.516 6 HD11 LEU 1 1HD1 LEU 1 2.540 -9.893 5.061 7 HD12 LEU 1 2HD1 LEU 1 1.491 -8.799 4.159 8 HD13 LEU 1 3HD1 LEU 1 1.377 -8.880 5.917 9 HD21 LEU 1 1HD2 LEU 1 2.722 -5.754 5.542 10 HD22 LEU 1 2HD2 LEU 1 1.438 -6.585 4.663 11 HD23 LEU 1 3HD2 LEU 1 2.947 -6.177 3.844 12 H GLY 2 H GLY 2 5.928 -6.391 4.619 13 HA2 GLY 2 2HA GLY 2 5.328 -3.697 5.259 14 HA3 GLY 2 3HA GLY 2 7.028 -4.018 5.568 15 H GLN 3 H GLN 3 4.989 -5.358 3.005 16 HA GLN 3 HA GLN 3 5.152 -5.289 0.738 17 HB2 GLN 3 2HB GLN 3 5.928 -2.574 1.601 18 HB3 GLN 3 3HB GLN 3 6.434 -3.022 -0.023 19 HG2 GLN 3 2HG GLN 3 4.175 -3.459 -0.676 20 HG3 GLN 3 3HG GLN 3 3.607 -3.239 0.979 21 HE21 GLN 3 1HE2 GLN 3 2.496 -1.837 -1.094 22 HE22 GLN 3 2HE2 GLN 3 2.915 -0.166 -0.955 23 H GLN 4 H GLN 4 6.750 -7.064 1.250 24 HA GLN 4 HA GLN 4 8.701 -8.155 0.826 25 HB2 GLN 4 2HB GLN 4 8.252 -7.502 -1.463 26 HB3 GLN 4 3HB GLN 4 8.968 -5.919 -1.189 27 HG2 GLN 4 2HG GLN 4 10.369 -7.627 -2.430 28 HG3 GLN 4 3HG GLN 4 11.133 -6.788 -1.082 29 HE21 GLN 4 1HE2 GLN 4 9.691 -9.796 -2.134 30 HE22 GLN 4 2HE2 GLN 4 10.423 -10.793 -0.928 31 H GLN 5 H GLN 5 9.418 -7.549 2.981 32 HA GLN 5 HA GLN 5 12.038 -6.601 3.040 33 HB2 GLN 5 2HB GLN 5 10.223 -4.487 2.889 34 HB3 GLN 5 3HB GLN 5 10.669 -4.567 4.589 35 HG2 GLN 5 2HG GLN 5 12.981 -4.807 2.874 36 HG3 GLN 5 3HG GLN 5 12.076 -3.330 2.548 37 HE21 GLN 5 1HE2 GLN 5 13.768 -5.167 4.998 38 HE22 GLN 5 2HE2 GLN 5 14.053 -3.842 6.069 39 H ALA 6 H ALA 6 9.041 -6.665 4.943 40 HA ALA 6 HA ALA 6 8.548 -7.569 6.974 41 HB1 ALA 6 1HB ALA 6 9.716 -9.511 7.695 42 HB2 ALA 6 2HB ALA 6 9.663 -9.561 5.932 43 HB3 ALA 6 3HB ALA 6 11.145 -9.076 6.756 44 H PHE 7 H PHE 7 8.984 -5.319 7.692 45 HA PHE 7 HA PHE 7 11.451 -4.609 8.886 46 HB2 PHE 7 2HB PHE 7 8.986 -3.345 8.357 47 HB3 PHE 7 3HB PHE 7 9.238 -3.217 10.095 48 HD1 PHE 7 HD1 PHE 7 9.814 -1.664 7.047 49 HD2 PHE 7 HD2 PHE 7 11.739 -2.532 10.743 50 HE1 PHE 7 HE1 PHE 7 11.364 0.212 6.677 51 HE2 PHE 7 HE2 PHE 7 13.290 -0.658 10.379 52 HZ PHE 7 HZ PHE 7 13.104 0.718 8.345 53 HA PRO 8 HA PRO 8 9.310 -5.674 13.084 54 HB2 PRO 8 2HB PRO 8 6.947 -7.007 12.975 55 HB3 PRO 8 3HB PRO 8 7.056 -5.243 12.980 56 HG2 PRO 8 2HG PRO 8 6.672 -7.111 10.672 57 HG3 PRO 8 3HG PRO 8 5.862 -5.571 11.011 58 HD2 PRO 8 2HD PRO 8 7.897 -5.787 9.239 59 HD3 PRO 8 3HD PRO 8 7.623 -4.322 10.204 60 HA PRO 9 HA PRO 9 10.710 -9.833 13.370 61 HB2 PRO 9 2HB PRO 9 9.551 -10.701 15.666 62 HB3 PRO 9 3HB PRO 9 10.876 -9.531 15.641 63 HG2 PRO 9 2HG PRO 9 7.934 -9.056 15.926 64 HG3 PRO 9 3HG PRO 9 9.278 -8.310 16.809 65 HD2 PRO 9 2HD PRO 9 8.018 -7.071 14.757 66 HD3 PRO 9 3HD PRO 9 9.742 -6.829 15.105 67 H GLN 10 H GLN 10 10.123 -12.055 13.197 68 HA GLN 10 HA GLN 10 7.522 -13.065 13.271 69 HB2 GLN 10 2HB GLN 10 6.947 -11.692 11.415 70 HB3 GLN 10 3HB GLN 10 8.433 -12.098 10.565 71 HG2 GLN 10 2HG GLN 10 7.547 -13.928 9.664 72 HG3 GLN 10 3HG GLN 10 6.809 -14.429 11.185 73 HE21 GLN 10 1HE2 GLN 10 4.834 -14.977 10.421 74 HE22 GLN 10 2HE2 GLN 10 3.727 -13.857 9.710 75 H GLN 11 H GLN 11 8.664 -14.759 14.229 76 HA GLN 11 HA GLN 11 10.192 -16.430 12.343 77 HB2 GLN 11 2HB GLN 11 10.873 -15.477 15.013 78 HB3 GLN 11 3HB GLN 11 10.988 -17.226 14.876 79 HG2 GLN 11 2HG GLN 11 12.964 -16.997 13.923 80 HG3 GLN 11 3HG GLN 11 12.199 -16.159 12.574 81 HE21 GLN 11 1HE2 GLN 11 14.499 -15.927 14.923 82 HE22 GLN 11 2HE2 GLN 11 14.679 -14.210 14.977 83 HA PRO 12 HA PRO 12 7.464 -19.769 13.140 84 HB2 PRO 12 2HB PRO 12 9.145 -21.900 13.208 85 HB3 PRO 12 3HB PRO 12 8.749 -21.036 11.718 86 HG2 PRO 12 2HG PRO 12 11.165 -20.785 13.466 87 HG3 PRO 12 3HG PRO 12 11.065 -20.839 11.696 88 HD2 PRO 12 2HD PRO 12 11.368 -18.525 13.070 89 HD3 PRO 12 3HD PRO 12 10.476 -18.616 11.538 90 H TYR 13 H TYR 13 6.996 -21.610 14.624 91 HA TYR 13 HA TYR 13 7.908 -20.949 17.336 92 HB2 TYR 13 2HB TYR 13 5.406 -20.966 16.597 93 HB3 TYR 13 3HB TYR 13 5.554 -22.714 16.742 94 HD1 TYR 13 HD1 TYR 13 5.180 -23.719 18.800 95 HD2 TYR 13 HD2 TYR 13 6.161 -19.581 18.675 96 HE1 TYR 13 HE1 TYR 13 4.776 -23.556 21.221 97 HE2 TYR 13 HE2 TYR 13 5.761 -19.407 21.096 98 HH TYR 13 HH TYR 13 5.696 -20.824 23.058 Start of MODEL 31 1 H1 LEU 1 H LEU 1 4.616 -6.317 -2.926 2 HA LEU 1 HA LEU 1 4.109 -4.553 -1.354 3 HB2 LEU 1 2HB LEU 1 1.639 -5.882 -1.428 4 HB3 LEU 1 3HB LEU 1 2.196 -5.987 0.241 5 HG LEU 1 HG LEU 1 2.252 -3.331 -1.104 6 HD11 LEU 1 1HD1 LEU 1 0.037 -4.373 -1.634 7 HD12 LEU 1 2HD1 LEU 1 -0.046 -2.900 -0.667 8 HD13 LEU 1 3HD1 LEU 1 -0.259 -4.473 0.102 9 HD21 LEU 1 1HD2 LEU 1 2.905 -4.180 1.378 10 HD22 LEU 1 2HD2 LEU 1 1.222 -3.713 1.625 11 HD23 LEU 1 3HD2 LEU 1 2.381 -2.540 0.998 12 H GLY 2 H GLY 2 5.384 -4.458 0.407 13 HA2 GLY 2 2HA GLY 2 6.930 -6.653 1.192 14 HA3 GLY 2 3HA GLY 2 6.791 -5.145 2.084 15 H GLN 3 H GLN 3 4.426 -5.002 3.128 16 HA GLN 3 HA GLN 3 3.070 -5.741 4.797 17 HB2 GLN 3 2HB GLN 3 3.389 -8.087 3.034 18 HB3 GLN 3 3HB GLN 3 2.838 -8.441 4.666 19 HG2 GLN 3 2HG GLN 3 0.940 -7.009 4.405 20 HG3 GLN 3 3HG GLN 3 1.532 -6.433 2.848 21 HE21 GLN 3 1HE2 GLN 3 -0.539 -7.095 2.031 22 HE22 GLN 3 2HE2 GLN 3 -0.812 -8.751 1.619 23 H GLN 4 H GLN 4 5.051 -5.097 6.075 24 HA GLN 4 HA GLN 4 6.434 -5.429 7.849 25 HB2 GLN 4 2HB GLN 4 4.427 -6.466 8.822 26 HB3 GLN 4 3HB GLN 4 4.886 -8.012 8.121 27 HG2 GLN 4 2HG GLN 4 5.467 -7.989 10.446 28 HG3 GLN 4 3HG GLN 4 6.941 -7.985 9.479 29 HE21 GLN 4 1HE2 GLN 4 7.706 -7.264 11.681 30 HE22 GLN 4 2HE2 GLN 4 7.742 -5.561 11.968 31 H GLN 5 H GLN 5 8.219 -5.592 6.365 32 HA GLN 5 HA GLN 5 9.174 -7.865 5.138 33 HB2 GLN 5 2HB GLN 5 11.475 -6.792 5.489 34 HB3 GLN 5 3HB GLN 5 10.270 -5.857 4.613 35 HG2 GLN 5 2HG GLN 5 10.265 -5.398 7.499 36 HG3 GLN 5 3HG GLN 5 11.768 -4.947 6.695 37 HE21 GLN 5 1HE2 GLN 5 11.526 -3.574 4.747 38 HE22 GLN 5 2HE2 GLN 5 10.298 -2.359 4.765 39 H ALA 6 H ALA 6 9.411 -6.922 8.503 40 HA ALA 6 HA ALA 6 10.041 -8.063 10.369 41 HB1 ALA 6 1HB ALA 6 9.844 -10.435 10.404 42 HB2 ALA 6 2HB ALA 6 8.586 -9.820 9.331 43 HB3 ALA 6 3HB ALA 6 10.048 -10.538 8.655 44 H PHE 7 H PHE 7 12.073 -6.831 10.011 45 HA PHE 7 HA PHE 7 14.333 -8.042 8.811 46 HB2 PHE 7 2HB PHE 7 13.721 -5.558 9.998 47 HB3 PHE 7 3HB PHE 7 15.085 -6.209 10.900 48 HD1 PHE 7 HD1 PHE 7 13.971 -4.762 7.785 49 HD2 PHE 7 HD2 PHE 7 17.191 -6.763 9.720 50 HE1 PHE 7 HE1 PHE 7 15.494 -4.036 5.993 51 HE2 PHE 7 HE2 PHE 7 18.719 -6.040 7.932 52 HZ PHE 7 HZ PHE 7 17.871 -4.674 6.066 53 HA PRO 8 HA PRO 8 15.662 -9.179 13.315 54 HB2 PRO 8 2HB PRO 8 13.805 -8.883 15.274 55 HB3 PRO 8 3HB PRO 8 14.921 -7.595 14.805 56 HG2 PRO 8 2HG PRO 8 12.062 -8.002 14.019 57 HG3 PRO 8 3HG PRO 8 12.891 -6.506 14.489 58 HD2 PRO 8 2HD PRO 8 12.393 -7.147 11.905 59 HD3 PRO 8 3HD PRO 8 13.824 -6.219 12.401 60 HA PRO 9 HA PRO 9 13.915 -13.213 13.396 61 HB2 PRO 9 2HB PRO 9 14.475 -14.060 15.914 62 HB3 PRO 9 3HB PRO 9 15.712 -13.873 14.666 63 HG2 PRO 9 2HG PRO 9 14.980 -12.021 16.901 64 HG3 PRO 9 3HG PRO 9 16.588 -12.488 16.317 65 HD2 PRO 9 2HD PRO 9 15.421 -10.138 15.648 66 HD3 PRO 9 3HD PRO 9 16.516 -11.006 14.553 67 H GLN 10 H GLN 10 11.694 -12.545 13.189 68 HA GLN 10 HA GLN 10 9.992 -13.586 15.141 69 HB2 GLN 10 2HB GLN 10 10.467 -11.718 16.536 70 HB3 GLN 10 3HB GLN 10 10.308 -10.589 15.197 71 HG2 GLN 10 2HG GLN 10 7.885 -12.108 15.584 72 HG3 GLN 10 3HG GLN 10 8.367 -11.269 17.057 73 HE21 GLN 10 1HE2 GLN 10 6.114 -10.815 15.219 74 HE22 GLN 10 2HE2 GLN 10 6.245 -9.165 14.723 75 H GLN 11 H GLN 11 9.142 -14.523 13.268 76 HA GLN 11 HA GLN 11 7.653 -12.691 11.507 77 HB2 GLN 11 2HB GLN 11 9.262 -15.082 10.983 78 HB3 GLN 11 3HB GLN 11 7.689 -15.109 10.198 79 HG2 GLN 11 2HG GLN 11 8.629 -13.931 8.573 80 HG3 GLN 11 3HG GLN 11 8.602 -12.565 9.687 81 HE21 GLN 11 1HE2 GLN 11 10.538 -14.869 8.045 82 HE22 GLN 11 2HE2 GLN 11 12.076 -14.288 8.576 83 HA PRO 12 HA PRO 12 3.812 -14.423 12.723 84 HB2 PRO 12 2HB PRO 12 2.451 -14.544 10.377 85 HB3 PRO 12 3HB PRO 12 2.805 -13.022 11.205 86 HG2 PRO 12 2HG PRO 12 4.220 -14.296 8.895 87 HG3 PRO 12 3HG PRO 12 3.780 -12.596 9.137 88 HD2 PRO 12 2HD PRO 12 6.283 -13.530 9.578 89 HD3 PRO 12 3HD PRO 12 5.583 -12.195 10.516 90 H TYR 13 H TYR 13 4.055 -16.494 13.433 91 HA TYR 13 HA TYR 13 4.243 -18.640 11.440 92 HB2 TYR 13 2HB TYR 13 5.691 -18.285 13.708 93 HB3 TYR 13 3HB TYR 13 4.402 -19.321 14.311 94 HD1 TYR 13 HD1 TYR 13 7.605 -19.372 13.047 95 HD2 TYR 13 HD2 TYR 13 3.866 -21.344 12.555 96 HE1 TYR 13 HE1 TYR 13 8.768 -21.337 12.134 97 HE2 TYR 13 HE2 TYR 13 5.019 -23.315 11.642 98 HH TYR 13 HH TYR 13 8.430 -23.688 11.802 Start of MODEL 32 1 H1 LEU 1 H LEU 1 -1.821 -7.944 1.209 2 HA LEU 1 HA LEU 1 0.190 -5.943 1.004 3 HB2 LEU 1 2HB LEU 1 -2.023 -6.498 2.945 4 HB3 LEU 1 3HB LEU 1 -0.854 -5.215 3.249 5 HG LEU 1 HG LEU 1 -1.581 -4.444 0.833 6 HD11 LEU 1 1HD1 LEU 1 -3.950 -4.863 0.426 7 HD12 LEU 1 2HD1 LEU 1 -4.001 -5.953 1.811 8 HD13 LEU 1 3HD1 LEU 1 -3.023 -6.364 0.403 9 HD21 LEU 1 1HD2 LEU 1 -2.776 -3.970 3.508 10 HD22 LEU 1 2HD2 LEU 1 -3.605 -3.295 2.105 11 HD23 LEU 1 3HD2 LEU 1 -1.927 -2.860 2.431 12 H GLY 2 H GLY 2 2.106 -7.275 1.220 13 HA2 GLY 2 2HA GLY 2 2.625 -8.439 3.837 14 HA3 GLY 2 3HA GLY 2 3.683 -8.509 2.435 15 H GLN 3 H GLN 3 5.283 -7.020 2.201 16 HA GLN 3 HA GLN 3 6.775 -5.403 2.775 17 HB2 GLN 3 2HB GLN 3 4.149 -4.234 3.447 18 HB3 GLN 3 3HB GLN 3 5.531 -3.480 4.229 19 HG2 GLN 3 2HG GLN 3 6.543 -2.993 2.117 20 HG3 GLN 3 3HG GLN 3 5.309 -3.918 1.262 21 HE21 GLN 3 1HE2 GLN 3 6.279 -0.915 1.789 22 HE22 GLN 3 2HE2 GLN 3 4.773 -0.068 1.748 23 H GLN 4 H GLN 4 7.522 -7.234 4.209 24 HA GLN 4 HA GLN 4 8.264 -6.210 6.726 25 HB2 GLN 4 2HB GLN 4 5.868 -6.826 7.190 26 HB3 GLN 4 3HB GLN 4 6.305 -8.502 6.888 27 HG2 GLN 4 2HG GLN 4 7.927 -8.391 8.729 28 HG3 GLN 4 3HG GLN 4 7.425 -6.731 9.049 29 HE21 GLN 4 1HE2 GLN 4 6.129 -10.013 8.758 30 HE22 GLN 4 2HE2 GLN 4 4.930 -9.836 9.988 31 H GLN 5 H GLN 5 10.107 -6.918 5.280 32 HA GLN 5 HA GLN 5 10.743 -9.525 4.669 33 HB2 GLN 5 2HB GLN 5 12.070 -7.070 4.642 34 HB3 GLN 5 3HB GLN 5 13.074 -8.104 5.649 35 HG2 GLN 5 2HG GLN 5 13.907 -8.359 3.481 36 HG3 GLN 5 3HG GLN 5 12.946 -9.807 3.778 37 HE21 GLN 5 1HE2 GLN 5 13.747 -8.358 1.291 38 HE22 GLN 5 2HE2 GLN 5 12.268 -8.098 0.437 39 H ALA 6 H ALA 6 11.094 -7.844 7.745 40 HA ALA 6 HA ALA 6 11.449 -8.598 9.863 41 HB1 ALA 6 1HB ALA 6 10.724 -10.783 10.454 42 HB2 ALA 6 2HB ALA 6 9.646 -10.207 9.182 43 HB3 ALA 6 3HB ALA 6 10.920 -11.365 8.801 44 H PHE 7 H PHE 7 13.705 -7.957 9.339 45 HA PHE 7 HA PHE 7 15.645 -9.880 8.597 46 HB2 PHE 7 2HB PHE 7 15.594 -7.109 9.118 47 HB3 PHE 7 3HB PHE 7 16.776 -7.794 10.228 48 HD1 PHE 7 HD1 PHE 7 15.826 -8.500 6.687 49 HD2 PHE 7 HD2 PHE 7 18.910 -7.513 9.450 50 HE1 PHE 7 HE1 PHE 7 17.478 -8.583 4.867 51 HE2 PHE 7 HE2 PHE 7 20.567 -7.595 7.633 52 HZ PHE 7 HZ PHE 7 19.853 -8.129 5.338 53 HA PRO 8 HA PRO 8 16.671 -10.132 13.312 54 HB2 PRO 8 2HB PRO 8 14.919 -8.973 15.031 55 HB3 PRO 8 3HB PRO 8 16.294 -8.109 14.334 56 HG2 PRO 8 2HG PRO 8 13.419 -8.076 13.504 57 HG3 PRO 8 3HG PRO 8 14.557 -6.724 13.650 58 HD2 PRO 8 2HD PRO 8 13.940 -7.858 11.270 59 HD3 PRO 8 3HD PRO 8 15.538 -7.165 11.612 60 HA PRO 9 HA PRO 9 14.074 -13.552 14.253 61 HB2 PRO 9 2HB PRO 9 14.422 -13.854 16.928 62 HB3 PRO 9 3HB PRO 9 15.675 -14.248 15.746 63 HG2 PRO 9 2HG PRO 9 15.363 -11.791 17.427 64 HG3 PRO 9 3HG PRO 9 16.829 -12.720 17.066 65 HD2 PRO 9 2HD PRO 9 16.215 -10.413 15.788 66 HD3 PRO 9 3HD PRO 9 17.094 -11.737 14.998 67 H GLN 10 H GLN 10 12.045 -12.546 13.771 68 HA GLN 10 HA GLN 10 10.163 -12.656 15.830 69 HB2 GLN 10 2HB GLN 10 11.022 -10.620 16.711 70 HB3 GLN 10 3HB GLN 10 11.104 -9.883 15.116 71 HG2 GLN 10 2HG GLN 10 8.783 -9.607 14.999 72 HG3 GLN 10 3HG GLN 10 8.499 -10.724 16.333 73 HE21 GLN 10 1HE2 GLN 10 9.889 -7.589 15.520 74 HE22 GLN 10 2HE2 GLN 10 9.609 -6.861 17.062 75 H GLN 11 H GLN 11 9.101 -13.856 14.248 76 HA GLN 11 HA GLN 11 7.677 -12.233 12.273 77 HB2 GLN 11 2HB GLN 11 9.700 -13.418 11.246 78 HB3 GLN 11 3HB GLN 11 8.821 -14.916 11.523 79 HG2 GLN 11 2HG GLN 11 7.066 -13.113 10.226 80 HG3 GLN 11 3HG GLN 11 8.601 -13.097 9.360 81 HE21 GLN 11 1HE2 GLN 11 9.511 -15.272 8.860 82 HE22 GLN 11 2HE2 GLN 11 8.404 -16.507 8.376 83 HA PRO 12 HA PRO 12 4.950 -15.123 14.692 84 HB2 PRO 12 2HB PRO 12 3.112 -13.233 15.338 85 HB3 PRO 12 3HB PRO 12 4.556 -13.541 16.310 86 HG2 PRO 12 2HG PRO 12 4.061 -11.398 14.279 87 HG3 PRO 12 3HG PRO 12 4.841 -11.276 15.867 88 HD2 PRO 12 2HD PRO 12 6.249 -11.405 13.559 89 HD3 PRO 12 3HD PRO 12 6.850 -12.089 15.083 90 H TYR 13 H TYR 13 3.521 -16.282 13.571 91 HA TYR 13 HA TYR 13 2.568 -15.465 11.029 92 HB2 TYR 13 2HB TYR 13 2.889 -17.871 12.238 93 HB3 TYR 13 3HB TYR 13 1.147 -17.672 12.388 94 HD1 TYR 13 HD1 TYR 13 3.421 -19.276 10.494 95 HD2 TYR 13 HD2 TYR 13 0.237 -16.500 9.984 96 HE1 TYR 13 HE1 TYR 13 3.141 -20.033 8.171 97 HE2 TYR 13 HE2 TYR 13 -0.053 -17.251 7.659 98 HH TYR 13 HH TYR 13 0.619 -18.655 6.081 Start of MODEL 33 1 H1 LEU 1 H LEU 1 -2.912 -6.359 2.767 2 HA LEU 1 HA LEU 1 -0.945 -6.211 1.594 3 HB2 LEU 1 2HB LEU 1 -1.361 -3.472 2.456 4 HB3 LEU 1 3HB LEU 1 0.348 -3.901 2.414 5 HG LEU 1 HG LEU 1 -0.436 -4.820 -0.000 6 HD11 LEU 1 1HD1 LEU 1 -2.731 -3.718 0.661 7 HD12 LEU 1 2HD1 LEU 1 -2.107 -3.612 -0.984 8 HD13 LEU 1 3HD1 LEU 1 -1.924 -2.247 0.118 9 HD21 LEU 1 1HD2 LEU 1 1.347 -3.071 0.845 10 HD22 LEU 1 2HD2 LEU 1 0.178 -1.916 0.205 11 HD23 LEU 1 3HD2 LEU 1 0.870 -3.148 -0.851 12 H GLY 2 H GLY 2 1.193 -6.804 2.021 13 HA2 GLY 2 2HA GLY 2 1.679 -7.526 4.793 14 HA3 GLY 2 3HA GLY 2 2.623 -8.033 3.400 15 H GLN 3 H GLN 3 4.308 -6.733 2.653 16 HA GLN 3 HA GLN 3 6.060 -5.295 2.836 17 HB2 GLN 3 2HB GLN 3 3.737 -3.725 3.761 18 HB3 GLN 3 3HB GLN 3 5.307 -3.107 4.254 19 HG2 GLN 3 2HG GLN 3 6.027 -2.937 1.979 20 HG3 GLN 3 3HG GLN 3 4.569 -3.749 1.411 21 HE21 GLN 3 1HE2 GLN 3 4.946 -1.527 0.181 22 HE22 GLN 3 2HE2 GLN 3 3.969 -0.235 0.779 23 H GLN 4 H GLN 4 6.792 -7.088 4.324 24 HA GLN 4 HA GLN 4 8.042 -5.974 6.589 25 HB2 GLN 4 2HB GLN 4 5.692 -6.215 7.457 26 HB3 GLN 4 3HB GLN 4 5.867 -7.955 7.267 27 HG2 GLN 4 2HG GLN 4 7.762 -7.914 8.830 28 HG3 GLN 4 3HG GLN 4 7.520 -6.182 9.051 29 HE21 GLN 4 1HE2 GLN 4 6.208 -9.359 9.630 30 HE22 GLN 4 2HE2 GLN 4 5.093 -8.891 10.864 31 H GLN 5 H GLN 5 9.518 -7.051 4.948 32 HA GLN 5 HA GLN 5 9.724 -9.764 4.536 33 HB2 GLN 5 2HB GLN 5 11.314 -7.525 4.035 34 HB3 GLN 5 3HB GLN 5 12.341 -8.596 4.978 35 HG2 GLN 5 2HG GLN 5 12.826 -9.425 2.945 36 HG3 GLN 5 3HG GLN 5 11.368 -10.370 3.239 37 HE21 GLN 5 1HE2 GLN 5 12.312 -7.194 1.967 38 HE22 GLN 5 2HE2 GLN 5 11.206 -7.207 0.640 39 H ALA 6 H ALA 6 10.575 -7.911 7.373 40 HA ALA 6 HA ALA 6 11.147 -8.527 9.488 41 HB1 ALA 6 1HB ALA 6 10.366 -10.571 10.337 42 HB2 ALA 6 2HB ALA 6 9.233 -10.148 9.052 43 HB3 ALA 6 3HB ALA 6 10.478 -11.364 8.765 44 H PHE 7 H PHE 7 13.346 -8.010 8.670 45 HA PHE 7 HA PHE 7 15.130 -10.054 7.860 46 HB2 PHE 7 2HB PHE 7 15.222 -7.253 8.176 47 HB3 PHE 7 3HB PHE 7 16.503 -7.903 9.194 48 HD1 PHE 7 HD1 PHE 7 15.143 -8.020 5.743 49 HD2 PHE 7 HD2 PHE 7 18.529 -8.558 8.264 50 HE1 PHE 7 HE1 PHE 7 16.572 -8.293 3.759 51 HE2 PHE 7 HE2 PHE 7 19.964 -8.831 6.284 52 HZ PHE 7 HZ PHE 7 18.987 -8.698 4.028 53 HA PRO 8 HA PRO 8 16.681 -10.012 12.435 54 HB2 PRO 8 2HB PRO 8 15.173 -8.668 14.249 55 HB3 PRO 8 3HB PRO 8 16.485 -7.909 13.340 56 HG2 PRO 8 2HG PRO 8 13.535 -7.824 12.837 57 HG3 PRO 8 3HG PRO 8 14.723 -6.510 12.754 58 HD2 PRO 8 2HD PRO 8 13.804 -7.784 10.549 59 HD3 PRO 8 3HD PRO 8 15.451 -7.131 10.657 60 HA PRO 9 HA PRO 9 14.107 -13.256 13.913 61 HB2 PRO 9 2HB PRO 9 14.750 -13.381 16.547 62 HB3 PRO 9 3HB PRO 9 15.847 -13.905 15.265 63 HG2 PRO 9 2HG PRO 9 15.803 -11.325 16.783 64 HG3 PRO 9 3HG PRO 9 17.190 -12.333 16.330 65 HD2 PRO 9 2HD PRO 9 16.503 -10.100 14.961 66 HD3 PRO 9 3HD PRO 9 17.246 -11.510 14.178 67 H GLN 10 H GLN 10 11.987 -12.623 13.753 68 HA GLN 10 HA GLN 10 10.501 -12.233 16.084 69 HB2 GLN 10 2HB GLN 10 11.334 -10.009 16.231 70 HB3 GLN 10 3HB GLN 10 11.083 -9.727 14.514 71 HG2 GLN 10 2HG GLN 10 8.760 -9.566 14.764 72 HG3 GLN 10 3HG GLN 10 8.800 -10.287 16.372 73 HE21 GLN 10 1HE2 GLN 10 10.062 -7.494 14.590 74 HE22 GLN 10 2HE2 GLN 10 9.882 -6.367 15.887 75 H GLN 11 H GLN 11 9.297 -13.855 15.081 76 HA GLN 11 HA GLN 11 7.134 -12.956 13.481 77 HB2 GLN 11 2HB GLN 11 8.850 -13.092 11.718 78 HB3 GLN 11 3HB GLN 11 9.127 -14.780 12.125 79 HG2 GLN 11 2HG GLN 11 7.588 -15.329 10.640 80 HG3 GLN 11 3HG GLN 11 6.381 -14.568 11.676 81 HE21 GLN 11 1HE2 GLN 11 5.121 -13.889 9.968 82 HE22 GLN 11 2HE2 GLN 11 5.598 -12.615 8.904 83 HA PRO 12 HA PRO 12 6.520 -16.770 16.069 84 HB2 PRO 12 2HB PRO 12 4.370 -15.801 17.414 85 HB3 PRO 12 3HB PRO 12 6.035 -15.527 17.940 86 HG2 PRO 12 2HG PRO 12 4.206 -13.710 16.419 87 HG3 PRO 12 3HG PRO 12 5.300 -13.328 17.761 88 HD2 PRO 12 2HD PRO 12 5.929 -12.813 15.179 89 HD3 PRO 12 3HD PRO 12 7.152 -13.240 16.393 90 H TYR 13 H TYR 13 5.880 -17.828 14.126 91 HA TYR 13 HA TYR 13 2.977 -17.723 13.645 92 HB2 TYR 13 2HB TYR 13 4.041 -16.674 11.750 93 HB3 TYR 13 3HB TYR 13 5.182 -18.005 11.596 94 HD1 TYR 13 HD1 TYR 13 4.641 -19.929 10.338 95 HD2 TYR 13 HD2 TYR 13 1.606 -17.095 11.264 96 HE1 TYR 13 HE1 TYR 13 3.115 -21.063 8.778 97 HE2 TYR 13 HE2 TYR 13 0.071 -18.221 9.707 98 HH TYR 13 HH TYR 13 -0.261 -20.099 8.483 Start of MODEL 34 1 H1 LEU 1 H LEU 1 4.274 -10.045 5.519 2 HA LEU 1 HA LEU 1 2.756 -8.996 3.616 3 HB2 LEU 1 2HB LEU 1 1.930 -9.748 6.402 4 HB3 LEU 1 3HB LEU 1 0.749 -9.274 5.183 5 HG LEU 1 HG LEU 1 2.154 -11.224 3.880 6 HD11 LEU 1 1HD1 LEU 1 2.320 -11.703 6.804 7 HD12 LEU 1 2HD1 LEU 1 3.432 -12.159 5.514 8 HD13 LEU 1 3HD1 LEU 1 1.945 -13.075 5.760 9 HD21 LEU 1 1HD2 LEU 1 -0.421 -11.023 5.307 10 HD22 LEU 1 2HD2 LEU 1 0.129 -12.654 4.920 11 HD23 LEU 1 3HD2 LEU 1 -0.078 -11.464 3.634 12 H GLY 2 H GLY 2 2.043 -7.066 2.997 13 HA2 GLY 2 2HA GLY 2 1.155 -4.932 3.149 14 HA3 GLY 2 3HA GLY 2 1.122 -5.107 4.897 15 H GLN 3 H GLN 3 3.753 -5.179 2.494 16 HA GLN 3 HA GLN 3 5.702 -4.018 2.347 17 HB2 GLN 3 2HB GLN 3 3.779 -2.063 3.441 18 HB3 GLN 3 3HB GLN 3 5.475 -1.667 3.682 19 HG2 GLN 3 2HG GLN 3 5.891 -1.732 1.328 20 HG3 GLN 3 3HG GLN 3 4.268 -2.343 1.012 21 HE21 GLN 3 1HE2 GLN 3 4.906 -0.230 -0.386 22 HE22 GLN 3 2HE2 GLN 3 4.169 1.210 0.222 23 H GLN 4 H GLN 4 6.363 -5.818 3.860 24 HA GLN 4 HA GLN 4 8.060 -4.788 5.858 25 HB2 GLN 4 2HB GLN 4 5.840 -4.618 7.033 26 HB3 GLN 4 3HB GLN 4 5.733 -6.372 6.952 27 HG2 GLN 4 2HG GLN 4 7.344 -6.687 8.530 28 HG3 GLN 4 3HG GLN 4 8.174 -5.180 8.144 29 HE21 GLN 4 1HE2 GLN 4 7.582 -3.311 9.160 30 HE22 GLN 4 2HE2 GLN 4 6.465 -3.257 10.476 31 H GLN 5 H GLN 5 9.274 -6.119 4.294 32 HA GLN 5 HA GLN 5 9.019 -8.832 3.904 33 HB2 GLN 5 2HB GLN 5 10.934 -6.885 3.324 34 HB3 GLN 5 3HB GLN 5 11.806 -8.104 4.245 35 HG2 GLN 5 2HG GLN 5 12.079 -8.999 2.196 36 HG3 GLN 5 3HG GLN 5 10.511 -9.714 2.567 37 HE21 GLN 5 1HE2 GLN 5 12.251 -7.523 0.585 38 HE22 GLN 5 2HE2 GLN 5 10.944 -7.071 -0.451 39 H ALA 6 H ALA 6 10.489 -7.134 6.621 40 HA ALA 6 HA ALA 6 11.098 -7.820 8.704 41 HB1 ALA 6 1HB ALA 6 10.057 -10.256 9.224 42 HB2 ALA 6 2HB ALA 6 9.154 -8.746 9.361 43 HB3 ALA 6 3HB ALA 6 9.008 -9.732 7.906 44 H PHE 7 H PHE 7 13.254 -7.982 7.642 45 HA PHE 7 HA PHE 7 14.295 -10.483 6.818 46 HB2 PHE 7 2HB PHE 7 15.202 -7.815 6.925 47 HB3 PHE 7 3HB PHE 7 16.352 -8.761 7.864 48 HD1 PHE 7 HD1 PHE 7 15.049 -8.035 4.562 49 HD2 PHE 7 HD2 PHE 7 17.599 -10.599 6.808 50 HE1 PHE 7 HE1 PHE 7 16.122 -8.787 2.479 51 HE2 PHE 7 HE2 PHE 7 18.676 -11.355 4.729 52 HZ PHE 7 HZ PHE 7 17.939 -10.448 2.561 53 HA PRO 8 HA PRO 8 16.283 -10.695 11.216 54 HB2 PRO 8 2HB PRO 8 15.418 -8.902 13.062 55 HB3 PRO 8 3HB PRO 8 16.783 -8.588 11.985 56 HG2 PRO 8 2HG PRO 8 13.939 -7.685 11.750 57 HG3 PRO 8 3HG PRO 8 15.430 -6.769 11.465 58 HD2 PRO 8 2HD PRO 8 13.958 -7.819 9.450 59 HD3 PRO 8 3HD PRO 8 15.723 -7.660 9.360 60 HA PRO 9 HA PRO 9 13.079 -13.002 13.151 61 HB2 PRO 9 2HB PRO 9 13.943 -13.196 15.718 62 HB3 PRO 9 3HB PRO 9 14.704 -14.066 14.380 63 HG2 PRO 9 2HG PRO 9 15.549 -11.520 15.709 64 HG3 PRO 9 3HG PRO 9 16.540 -12.900 15.202 65 HD2 PRO 9 2HD PRO 9 16.362 -10.623 13.748 66 HD3 PRO 9 3HD PRO 9 16.591 -12.218 13.001 67 H GLN 10 H GLN 10 11.084 -12.465 13.761 68 HA GLN 10 HA GLN 10 10.410 -11.035 16.062 69 HB2 GLN 10 2HB GLN 10 11.250 -9.047 15.060 70 HB3 GLN 10 3HB GLN 10 10.469 -9.407 13.526 71 HG2 GLN 10 2HG GLN 10 8.487 -8.575 14.183 72 HG3 GLN 10 3HG GLN 10 8.670 -9.152 15.839 73 HE21 GLN 10 1HE2 GLN 10 8.186 -7.323 16.919 74 HE22 GLN 10 2HE2 GLN 10 9.096 -5.858 16.813 75 H GLN 11 H GLN 11 8.940 -12.735 16.197 76 HA GLN 11 HA GLN 11 6.962 -13.824 15.921 77 HB2 GLN 11 2HB GLN 11 6.216 -11.393 16.217 78 HB3 GLN 11 3HB GLN 11 5.983 -11.370 14.474 79 HG2 GLN 11 2HG GLN 11 4.699 -13.680 15.496 80 HG3 GLN 11 3HG GLN 11 4.224 -12.302 16.488 81 HE21 GLN 11 1HE2 GLN 11 2.161 -12.107 15.772 82 HE22 GLN 11 2HE2 GLN 11 1.740 -11.677 14.153 83 HA PRO 12 HA PRO 12 8.077 -14.784 11.496 84 HB2 PRO 12 2HB PRO 12 8.751 -17.371 11.966 85 HB3 PRO 12 3HB PRO 12 9.900 -16.037 12.114 86 HG2 PRO 12 2HG PRO 12 8.362 -17.459 14.253 87 HG3 PRO 12 3HG PRO 12 10.061 -16.950 14.247 88 HD2 PRO 12 2HD PRO 12 8.125 -15.551 15.522 89 HD3 PRO 12 3HD PRO 12 9.540 -14.771 14.787 90 H TYR 13 H TYR 13 6.100 -14.861 10.567 91 HA TYR 13 HA TYR 13 4.526 -17.297 10.967 92 HB2 TYR 13 2HB TYR 13 3.646 -15.283 12.333 93 HB3 TYR 13 3HB TYR 13 3.136 -14.636 10.777 94 HD1 TYR 13 HD1 TYR 13 2.688 -17.445 13.140 95 HD2 TYR 13 HD2 TYR 13 1.203 -15.468 9.676 96 HE1 TYR 13 HE1 TYR 13 0.629 -18.783 13.266 97 HE2 TYR 13 HE2 TYR 13 -0.861 -16.801 9.794 98 HH TYR 13 HH TYR 13 -1.486 -18.987 12.488 Start of MODEL 35 1 H1 LEU 1 H LEU 1 2.356 -5.900 -0.026 2 HA LEU 1 HA LEU 1 1.153 -7.781 0.522 3 HB2 LEU 1 2HB LEU 1 2.792 -8.976 -1.006 4 HB3 LEU 1 3HB LEU 1 3.713 -9.355 0.448 5 HG LEU 1 HG LEU 1 1.007 -10.152 0.857 6 HD11 LEU 1 1HD1 LEU 1 2.172 -10.853 -1.805 7 HD12 LEU 1 2HD1 LEU 1 0.519 -10.400 -1.388 8 HD13 LEU 1 3HD1 LEU 1 1.130 -11.997 -0.958 9 HD21 LEU 1 1HD2 LEU 1 2.139 -12.411 0.972 10 HD22 LEU 1 2HD2 LEU 1 2.769 -11.170 2.055 11 HD23 LEU 1 3HD2 LEU 1 3.641 -11.576 0.576 12 H GLY 2 H GLY 2 0.920 -6.666 2.535 13 HA2 GLY 2 2HA GLY 2 0.738 -7.241 4.848 14 HA3 GLY 2 3HA GLY 2 2.277 -8.082 4.725 15 H GLN 3 H GLN 3 3.636 -5.945 3.332 16 HA GLN 3 HA GLN 3 4.908 -4.116 3.788 17 HB2 GLN 3 2HB GLN 3 2.262 -3.456 4.919 18 HB3 GLN 3 3HB GLN 3 3.605 -2.503 5.538 19 HG2 GLN 3 2HG GLN 3 4.175 -1.759 3.337 20 HG3 GLN 3 3HG GLN 3 2.995 -2.850 2.613 21 HE21 GLN 3 1HE2 GLN 3 3.433 0.055 4.499 22 HE22 GLN 3 2HE2 GLN 3 1.853 0.701 4.233 23 H GLN 4 H GLN 4 6.166 -5.846 4.968 24 HA GLN 4 HA GLN 4 7.113 -4.813 7.411 25 HB2 GLN 4 2HB GLN 4 4.957 -5.859 8.181 26 HB3 GLN 4 3HB GLN 4 5.616 -7.419 7.705 27 HG2 GLN 4 2HG GLN 4 6.310 -7.531 9.821 28 HG3 GLN 4 3HG GLN 4 7.606 -6.466 9.280 29 HE21 GLN 4 1HE2 GLN 4 7.666 -4.381 9.973 30 HE22 GLN 4 2HE2 GLN 4 6.579 -3.729 11.146 31 H GLN 5 H GLN 5 9.030 -5.032 6.190 32 HA GLN 5 HA GLN 5 10.008 -7.285 4.948 33 HB2 GLN 5 2HB GLN 5 11.010 -4.775 5.645 34 HB3 GLN 5 3HB GLN 5 12.116 -5.917 6.395 35 HG2 GLN 5 2HG GLN 5 12.323 -7.044 4.174 36 HG3 GLN 5 3HG GLN 5 11.393 -5.714 3.485 37 HE21 GLN 5 1HE2 GLN 5 14.332 -6.488 5.267 38 HE22 GLN 5 2HE2 GLN 5 15.253 -5.146 4.690 39 H ALA 6 H ALA 6 9.952 -6.516 8.369 40 HA ALA 6 HA ALA 6 10.332 -7.777 10.225 41 HB1 ALA 6 1HB ALA 6 10.372 -10.167 8.393 42 HB2 ALA 6 2HB ALA 6 9.999 -10.132 10.117 43 HB3 ALA 6 3HB ALA 6 8.891 -9.394 8.960 44 H PHE 7 H PHE 7 12.454 -6.655 10.126 45 HA PHE 7 HA PHE 7 14.750 -7.943 9.087 46 HB2 PHE 7 2HB PHE 7 14.163 -5.484 10.336 47 HB3 PHE 7 3HB PHE 7 15.394 -6.256 11.330 48 HD1 PHE 7 HD1 PHE 7 17.602 -6.734 10.430 49 HD2 PHE 7 HD2 PHE 7 14.643 -4.748 8.102 50 HE1 PHE 7 HE1 PHE 7 19.337 -6.022 8.837 51 HE2 PHE 7 HE2 PHE 7 16.373 -4.034 6.505 52 HZ PHE 7 HZ PHE 7 18.723 -4.672 6.871 53 HA PRO 8 HA PRO 8 15.565 -9.363 13.632 54 HB2 PRO 8 2HB PRO 8 13.544 -9.047 15.417 55 HB3 PRO 8 3HB PRO 8 14.770 -7.808 15.125 56 HG2 PRO 8 2HG PRO 8 11.984 -8.006 14.049 57 HG3 PRO 8 3HG PRO 8 12.844 -6.586 14.673 58 HD2 PRO 8 2HD PRO 8 12.568 -7.076 12.024 59 HD3 PRO 8 3HD PRO 8 13.992 -6.260 12.701 60 HA PRO 9 HA PRO 9 13.599 -13.285 13.337 61 HB2 PRO 9 2HB PRO 9 13.861 -14.279 15.850 62 HB3 PRO 9 3HB PRO 9 15.224 -14.109 14.737 63 HG2 PRO 9 2HG PRO 9 14.378 -12.321 16.985 64 HG3 PRO 9 3HG PRO 9 16.007 -12.857 16.533 65 HD2 PRO 9 2HD PRO 9 15.044 -10.412 15.879 66 HD3 PRO 9 3HD PRO 9 16.191 -11.294 14.849 67 H GLN 10 H GLN 10 11.450 -12.469 12.955 68 HA GLN 10 HA GLN 10 9.508 -13.498 14.676 69 HB2 GLN 10 2HB GLN 10 9.948 -11.734 16.211 70 HB3 GLN 10 3HB GLN 10 9.986 -10.533 14.927 71 HG2 GLN 10 2HG GLN 10 7.673 -10.543 14.679 72 HG3 GLN 10 3HG GLN 10 7.498 -12.091 15.505 73 HE21 GLN 10 1HE2 GLN 10 6.141 -9.591 16.033 74 HE22 GLN 10 2HE2 GLN 10 6.507 -9.168 17.667 75 H GLN 11 H GLN 11 8.795 -14.287 12.681 76 HA GLN 11 HA GLN 11 7.598 -12.282 10.886 77 HB2 GLN 11 2HB GLN 11 9.104 -14.744 10.395 78 HB3 GLN 11 3HB GLN 11 7.614 -14.641 9.468 79 HG2 GLN 11 2HG GLN 11 8.737 -13.428 7.997 80 HG3 GLN 11 3HG GLN 11 8.747 -12.133 9.193 81 HE21 GLN 11 1HE2 GLN 11 10.598 -14.424 7.475 82 HE22 GLN 11 2HE2 GLN 11 12.135 -14.045 8.167 83 HA PRO 12 HA PRO 12 3.556 -13.807 11.640 84 HB2 PRO 12 2HB PRO 12 2.427 -13.731 9.172 85 HB3 PRO 12 3HB PRO 12 2.792 -12.276 10.107 86 HG2 PRO 12 2HG PRO 12 4.346 -13.535 7.880 87 HG3 PRO 12 3HG PRO 12 3.991 -11.822 8.166 88 HD2 PRO 12 2HD PRO 12 6.375 -12.940 8.795 89 HD3 PRO 12 3HD PRO 12 5.670 -11.605 9.729 90 H TYR 13 H TYR 13 4.479 -15.977 12.146 91 HA TYR 13 HA TYR 13 4.676 -18.029 10.239 92 HB2 TYR 13 2HB TYR 13 5.663 -18.248 12.451 93 HB3 TYR 13 3HB TYR 13 4.071 -18.185 13.199 94 HD1 TYR 13 HD1 TYR 13 5.916 -20.175 10.625 95 HD2 TYR 13 HD2 TYR 13 3.096 -20.184 13.811 96 HE1 TYR 13 HE1 TYR 13 5.752 -22.624 10.465 97 HE2 TYR 13 HE2 TYR 13 2.925 -22.633 13.660 98 HH TYR 13 HH TYR 13 3.481 -24.449 12.480 Start of MODEL 36 1 H1 LEU 1 H LEU 1 3.179 -11.293 -2.099 2 HA LEU 1 HA LEU 1 3.052 -8.429 -1.946 3 HB2 LEU 1 2HB LEU 1 0.625 -9.799 -2.020 4 HB3 LEU 1 3HB LEU 1 0.888 -9.432 -0.317 5 HG LEU 1 HG LEU 1 1.431 -7.042 -1.629 6 HD11 LEU 1 1HD1 LEU 1 0.327 -8.211 -3.619 7 HD12 LEU 1 2HD1 LEU 1 -0.282 -6.621 -3.160 8 HD13 LEU 1 3HD1 LEU 1 -1.173 -8.072 -2.703 9 HD21 LEU 1 1HD2 LEU 1 -1.018 -6.595 -0.725 10 HD22 LEU 1 2HD2 LEU 1 0.352 -6.812 0.365 11 HD23 LEU 1 3HD2 LEU 1 -0.749 -8.155 0.054 12 H GLY 2 H GLY 2 3.354 -7.629 0.219 13 HA2 GLY 2 2HA GLY 2 3.675 -9.393 2.435 14 HA3 GLY 2 3HA GLY 2 5.229 -8.991 1.720 15 H GLN 3 H GLN 3 5.801 -6.705 1.575 16 HA GLN 3 HA GLN 3 6.120 -4.655 2.506 17 HB2 GLN 3 2HB GLN 3 3.196 -5.050 2.612 18 HB3 GLN 3 3HB GLN 3 3.829 -3.824 3.702 19 HG2 GLN 3 2HG GLN 3 4.800 -2.614 1.881 20 HG3 GLN 3 3HG GLN 3 4.391 -3.902 0.749 21 HE21 GLN 3 1HE2 GLN 3 3.658 -1.120 0.624 22 HE22 GLN 3 2HE2 GLN 3 1.931 -1.058 0.637 23 H GLN 4 H GLN 4 7.437 -6.045 4.021 24 HA GLN 4 HA GLN 4 7.090 -5.142 6.666 25 HB2 GLN 4 2HB GLN 4 5.316 -6.926 6.573 26 HB3 GLN 4 3HB GLN 4 6.600 -8.103 6.330 27 HG2 GLN 4 2HG GLN 4 6.961 -8.226 8.505 28 HG3 GLN 4 3HG GLN 4 7.218 -6.485 8.600 29 HE21 GLN 4 1HE2 GLN 4 4.991 -5.277 8.305 30 HE22 GLN 4 2HE2 GLN 4 3.748 -5.833 9.369 31 H GLN 5 H GLN 5 9.249 -4.550 6.222 32 HA GLN 5 HA GLN 5 11.312 -6.157 5.365 33 HB2 GLN 5 2HB GLN 5 11.071 -3.593 6.440 34 HB3 GLN 5 3HB GLN 5 12.191 -4.420 7.515 35 HG2 GLN 5 2HG GLN 5 13.612 -3.517 5.960 36 HG3 GLN 5 3HG GLN 5 13.365 -5.141 5.318 37 HE21 GLN 5 1HE2 GLN 5 12.532 -1.765 4.971 38 HE22 GLN 5 2HE2 GLN 5 11.980 -1.868 3.338 39 H ALA 6 H ALA 6 9.966 -5.862 8.611 40 HA ALA 6 HA ALA 6 10.144 -7.176 10.461 41 HB1 ALA 6 1HB ALA 6 9.752 -8.947 8.646 42 HB2 ALA 6 2HB ALA 6 11.477 -9.286 8.799 43 HB3 ALA 6 3HB ALA 6 10.413 -9.478 10.193 44 H PHE 7 H PHE 7 11.776 -5.517 11.056 45 HA PHE 7 HA PHE 7 14.547 -6.006 10.748 46 HB2 PHE 7 2HB PHE 7 12.929 -3.959 11.817 47 HB3 PHE 7 3HB PHE 7 13.989 -4.477 13.123 48 HD1 PHE 7 HD1 PHE 7 16.221 -3.802 13.193 49 HD2 PHE 7 HD2 PHE 7 13.978 -3.298 9.611 50 HE1 PHE 7 HE1 PHE 7 18.054 -2.468 12.236 51 HE2 PHE 7 HE2 PHE 7 15.807 -1.964 8.649 52 HZ PHE 7 HZ PHE 7 17.849 -1.548 9.961 53 HA PRO 8 HA PRO 8 14.389 -7.665 15.282 54 HB2 PRO 8 2HB PRO 8 11.939 -8.115 16.360 55 HB3 PRO 8 3HB PRO 8 12.777 -6.565 16.495 56 HG2 PRO 8 2HG PRO 8 10.608 -7.387 14.602 57 HG3 PRO 8 3HG PRO 8 10.794 -5.868 15.499 58 HD2 PRO 8 2HD PRO 8 11.454 -6.106 12.884 59 HD3 PRO 8 3HD PRO 8 12.316 -5.018 13.991 60 HA PRO 9 HA PRO 9 13.834 -11.912 14.290 61 HB2 PRO 9 2HB PRO 9 13.636 -13.080 16.732 62 HB3 PRO 9 3HB PRO 9 15.150 -12.420 16.103 63 HG2 PRO 9 2HG PRO 9 13.205 -11.199 18.023 64 HG3 PRO 9 3HG PRO 9 14.977 -11.217 18.086 65 HD2 PRO 9 2HD PRO 9 13.571 -9.067 17.228 66 HD3 PRO 9 3HD PRO 9 15.173 -9.480 16.583 67 H GLN 10 H GLN 10 12.117 -12.925 13.479 68 HA GLN 10 HA GLN 10 9.926 -13.827 14.955 69 HB2 GLN 10 2HB GLN 10 9.157 -11.585 15.163 70 HB3 GLN 10 3HB GLN 10 9.481 -11.243 13.468 71 HG2 GLN 10 2HG GLN 10 7.638 -12.492 12.746 72 HG3 GLN 10 3HG GLN 10 7.466 -13.297 14.305 73 HE21 GLN 10 1HE2 GLN 10 6.956 -11.831 16.154 74 HE22 GLN 10 2HE2 GLN 10 5.840 -10.545 15.862 75 H GLN 11 H GLN 11 10.409 -15.671 13.751 76 HA GLN 11 HA GLN 11 10.602 -15.802 10.963 77 HB2 GLN 11 2HB GLN 11 10.307 -17.700 13.174 78 HB3 GLN 11 3HB GLN 11 9.588 -18.260 11.670 79 HG2 GLN 11 2HG GLN 11 11.616 -18.977 11.132 80 HG3 GLN 11 3HG GLN 11 12.027 -17.283 10.866 81 HE21 GLN 11 1HE2 GLN 11 14.165 -17.560 11.440 82 HE22 GLN 11 2HE2 GLN 11 14.663 -17.841 13.070 83 HA PRO 12 HA PRO 12 6.510 -15.563 9.406 84 HB2 PRO 12 2HB PRO 12 6.504 -17.466 7.469 85 HB3 PRO 12 3HB PRO 12 7.383 -15.940 7.314 86 HG2 PRO 12 2HG PRO 12 8.406 -18.645 8.085 87 HG3 PRO 12 3HG PRO 12 9.126 -17.445 6.995 88 HD2 PRO 12 2HD PRO 12 9.957 -17.775 9.551 89 HD3 PRO 12 3HD PRO 12 9.990 -16.200 8.732 90 H TYR 13 H TYR 13 4.648 -16.219 10.262 91 HA TYR 13 HA TYR 13 4.413 -19.011 11.158 92 HB2 TYR 13 2HB TYR 13 4.174 -17.431 12.972 93 HB3 TYR 13 3HB TYR 13 2.970 -16.515 12.072 94 HD1 TYR 13 HD1 TYR 13 0.681 -17.204 12.012 95 HD2 TYR 13 HD2 TYR 13 3.606 -19.657 13.891 96 HE1 TYR 13 HE1 TYR 13 -1.110 -18.556 13.021 97 HE2 TYR 13 HE2 TYR 13 1.824 -21.016 14.904 98 HH TYR 13 HH TYR 13 -0.372 -21.209 15.253 Start of MODEL 37 1 H1 LEU 1 H LEU 1 3.723 -5.809 9.812 2 HA LEU 1 HA LEU 1 3.653 -5.213 6.995 3 HB2 LEU 1 2HB LEU 1 4.537 -3.890 9.453 4 HB3 LEU 1 3HB LEU 1 5.544 -3.549 8.048 5 HG LEU 1 HG LEU 1 3.162 -3.059 6.959 6 HD11 LEU 1 1HD1 LEU 1 2.172 -1.642 9.077 7 HD12 LEU 1 2HD1 LEU 1 2.684 -3.148 9.837 8 HD13 LEU 1 3HD1 LEU 1 1.543 -3.183 8.493 9 HD21 LEU 1 1HD2 LEU 1 4.809 -1.214 8.679 10 HD22 LEU 1 2HD2 LEU 1 3.522 -0.666 7.605 11 HD23 LEU 1 3HD2 LEU 1 4.943 -1.473 6.939 12 H GLY 2 H GLY 2 4.966 -6.083 5.542 13 HA2 GLY 2 2HA GLY 2 7.713 -6.114 5.588 14 HA3 GLY 2 3HA GLY 2 7.239 -7.648 6.303 15 H GLN 3 H GLN 3 5.058 -8.355 4.821 16 HA GLN 3 HA GLN 3 4.454 -9.383 2.884 17 HB2 GLN 3 2HB GLN 3 5.741 -6.878 2.001 18 HB3 GLN 3 3HB GLN 3 5.623 -8.136 0.778 19 HG2 GLN 3 2HG GLN 3 3.245 -8.230 1.011 20 HG3 GLN 3 3HG GLN 3 3.292 -7.136 2.392 21 HE21 GLN 3 1HE2 GLN 3 1.789 -5.835 1.204 22 HE22 GLN 3 2HE2 GLN 3 2.357 -4.761 -0.024 23 H GLN 4 H GLN 4 5.946 -11.065 3.840 24 HA GLN 4 HA GLN 4 7.491 -12.710 3.560 25 HB2 GLN 4 2HB GLN 4 6.413 -12.987 1.394 26 HB3 GLN 4 3HB GLN 4 7.418 -11.719 0.705 27 HG2 GLN 4 2HG GLN 4 9.006 -13.175 0.218 28 HG3 GLN 4 3HG GLN 4 9.083 -13.716 1.894 29 HE21 GLN 4 1HE2 GLN 4 7.777 -15.465 2.547 30 HE22 GLN 4 2HE2 GLN 4 7.163 -16.600 1.399 31 H GLN 5 H GLN 5 8.876 -11.341 4.931 32 HA GLN 5 HA GLN 5 11.498 -11.228 3.994 33 HB2 GLN 5 2HB GLN 5 10.028 -9.033 3.093 34 HB3 GLN 5 3HB GLN 5 10.947 -8.419 4.461 35 HG2 GLN 5 2HG GLN 5 12.981 -9.481 3.366 36 HG3 GLN 5 3HG GLN 5 11.973 -9.655 1.930 37 HE21 GLN 5 1HE2 GLN 5 11.992 -8.039 0.544 38 HE22 GLN 5 2HE2 GLN 5 12.483 -6.417 0.879 39 H ALA 6 H ALA 6 9.175 -9.706 6.186 40 HA ALA 6 HA ALA 6 9.193 -9.377 8.438 41 HB1 ALA 6 1HB ALA 6 9.535 -11.496 9.114 42 HB2 ALA 6 2HB ALA 6 10.922 -11.724 8.048 43 HB3 ALA 6 3HB ALA 6 11.120 -10.881 9.585 44 H PHE 7 H PHE 7 10.030 -7.220 7.767 45 HA PHE 7 HA PHE 7 12.788 -6.603 7.935 46 HB2 PHE 7 2HB PHE 7 10.411 -5.230 7.285 47 HB3 PHE 7 3HB PHE 7 11.142 -4.340 8.616 48 HD1 PHE 7 HD1 PHE 7 13.931 -4.414 8.221 49 HD2 PHE 7 HD2 PHE 7 10.862 -4.230 5.278 50 HE1 PHE 7 HE1 PHE 7 15.504 -3.356 6.652 51 HE2 PHE 7 HE2 PHE 7 12.430 -3.173 3.704 52 HZ PHE 7 HZ PHE 7 14.755 -2.736 4.390 53 HA PRO 8 HA PRO 8 11.785 -4.991 12.377 54 HB2 PRO 8 2HB PRO 8 9.362 -5.635 13.419 55 HB3 PRO 8 3HB PRO 8 9.643 -4.165 12.478 56 HG2 PRO 8 2HG PRO 8 8.457 -6.773 11.609 57 HG3 PRO 8 3HG PRO 8 7.928 -5.122 11.232 58 HD2 PRO 8 2HD PRO 8 9.367 -6.623 9.498 59 HD3 PRO 8 3HD PRO 8 9.516 -4.856 9.583 60 HA PRO 9 HA PRO 9 12.786 -8.688 14.537 61 HB2 PRO 9 2HB PRO 9 12.221 -8.050 17.115 62 HB3 PRO 9 3HB PRO 9 13.598 -7.373 16.237 63 HG2 PRO 9 2HG PRO 9 10.910 -6.167 16.765 64 HG3 PRO 9 3HG PRO 9 12.512 -5.414 16.862 65 HD2 PRO 9 2HD PRO 9 10.868 -5.071 14.738 66 HD3 PRO 9 3HD PRO 9 12.636 -5.090 14.583 67 H GLN 10 H GLN 10 11.113 -10.004 13.591 68 HA GLN 10 HA GLN 10 9.512 -11.338 15.448 69 HB2 GLN 10 2HB GLN 10 8.051 -9.462 15.522 70 HB3 GLN 10 3HB GLN 10 8.073 -9.288 13.772 71 HG2 GLN 10 2HG GLN 10 7.114 -11.893 14.614 72 HG3 GLN 10 3HG GLN 10 6.150 -10.569 15.266 73 HE21 GLN 10 1HE2 GLN 10 5.898 -12.684 13.028 74 HE22 GLN 10 2HE2 GLN 10 5.271 -11.772 11.702 75 H GLN 11 H GLN 11 10.458 -13.091 14.400 76 HA GLN 11 HA GLN 11 10.557 -13.612 11.694 77 HB2 GLN 11 2HB GLN 11 10.463 -16.069 12.417 78 HB3 GLN 11 3HB GLN 11 11.754 -15.077 13.081 79 HG2 GLN 11 2HG GLN 11 9.303 -15.153 14.690 80 HG3 GLN 11 3HG GLN 11 10.147 -16.693 14.535 81 HE21 GLN 11 1HE2 GLN 11 11.332 -17.026 16.266 82 HE22 GLN 11 2HE2 GLN 11 12.323 -15.858 17.065 83 HA PRO 12 HA PRO 12 6.484 -14.434 10.287 84 HB2 PRO 12 2HB PRO 12 6.911 -16.431 8.498 85 HB3 PRO 12 3HB PRO 12 7.388 -14.756 8.199 86 HG2 PRO 12 2HG PRO 12 9.053 -17.062 9.132 87 HG3 PRO 12 3HG PRO 12 9.440 -15.816 7.931 88 HD2 PRO 12 2HD PRO 12 10.369 -15.728 10.473 89 HD3 PRO 12 3HD PRO 12 10.003 -14.263 9.538 90 H TYR 13 H TYR 13 5.185 -15.278 11.837 91 HA TYR 13 HA TYR 13 5.571 -17.868 12.972 92 HB2 TYR 13 2HB TYR 13 4.250 -15.661 13.797 93 HB3 TYR 13 3HB TYR 13 2.900 -16.604 13.176 94 HD1 TYR 13 HD1 TYR 13 5.973 -17.295 15.203 95 HD2 TYR 13 HD2 TYR 13 1.769 -17.797 14.782 96 HE1 TYR 13 HE1 TYR 13 5.925 -18.591 17.293 97 HE2 TYR 13 HE2 TYR 13 1.709 -19.093 16.871 98 HH TYR 13 HH TYR 13 4.562 -20.205 18.426 Start of MODEL 38 1 H1 LEU 1 H LEU 1 4.793 0.591 1.578 2 HA LEU 1 HA LEU 1 6.152 -2.013 1.554 3 HB2 LEU 1 2HB LEU 1 6.100 -0.114 3.695 4 HB3 LEU 1 3HB LEU 1 5.215 -1.561 4.175 5 HG LEU 1 HG LEU 1 7.823 -2.096 2.944 6 HD11 LEU 1 1HD1 LEU 1 7.964 0.085 4.437 7 HD12 LEU 1 2HD1 LEU 1 9.218 -1.153 4.473 8 HD13 LEU 1 3HD1 LEU 1 7.989 -1.107 5.737 9 HD21 LEU 1 1HD2 LEU 1 6.404 -2.973 5.455 10 HD22 LEU 1 2HD2 LEU 1 7.977 -3.581 4.937 11 HD23 LEU 1 3HD2 LEU 1 6.549 -3.865 3.941 12 H GLY 2 H GLY 2 4.513 -3.028 0.444 13 HA2 GLY 2 2HA GLY 2 1.820 -2.918 1.632 14 HA3 GLY 2 3HA GLY 2 2.184 -3.423 -0.011 15 H GLN 3 H GLN 3 3.406 -4.388 3.196 16 HA GLN 3 HA GLN 3 3.606 -6.423 4.192 17 HB2 GLN 3 2HB GLN 3 1.114 -6.628 2.622 18 HB3 GLN 3 3HB GLN 3 1.835 -8.160 3.095 19 HG2 GLN 3 2HG GLN 3 1.733 -7.568 5.409 20 HG3 GLN 3 3HG GLN 3 1.213 -5.931 5.014 21 HE21 GLN 3 1HE2 GLN 3 0.236 -9.069 5.743 22 HE22 GLN 3 2HE2 GLN 3 -1.451 -8.890 5.416 23 H GLN 4 H GLN 4 5.675 -6.351 2.895 24 HA GLN 4 HA GLN 4 6.190 -8.899 1.812 25 HB2 GLN 4 2HB GLN 4 4.951 -7.846 -0.110 26 HB3 GLN 4 3HB GLN 4 6.264 -6.683 -0.237 27 HG2 GLN 4 2HG GLN 4 7.828 -8.413 -0.776 28 HG3 GLN 4 3HG GLN 4 6.622 -9.660 -0.464 29 HE21 GLN 4 1HE2 GLN 4 8.182 -8.101 -2.840 30 HE22 GLN 4 2HE2 GLN 4 7.019 -8.228 -4.111 31 H GLN 5 H GLN 5 7.670 -8.340 3.625 32 HA GLN 5 HA GLN 5 10.268 -7.903 2.716 33 HB2 GLN 5 2HB GLN 5 8.890 -5.489 2.979 34 HB3 GLN 5 3HB GLN 5 9.877 -5.597 4.431 35 HG2 GLN 5 2HG GLN 5 11.875 -5.751 3.169 36 HG3 GLN 5 3HG GLN 5 10.984 -5.986 1.666 37 HE21 GLN 5 1HE2 GLN 5 10.592 -3.654 4.303 38 HE22 GLN 5 2HE2 GLN 5 10.756 -2.246 3.315 39 H ALA 6 H ALA 6 8.270 -7.122 5.564 40 HA ALA 6 HA ALA 6 8.396 -7.784 7.738 41 HB1 ALA 6 1HB ALA 6 9.906 -10.012 7.948 42 HB2 ALA 6 2HB ALA 6 8.214 -10.009 7.451 43 HB3 ALA 6 3HB ALA 6 9.490 -10.064 6.235 44 H PHE 7 H PHE 7 9.731 -5.785 7.907 45 HA PHE 7 HA PHE 7 12.558 -5.917 7.995 46 HB2 PHE 7 2HB PHE 7 10.586 -3.915 8.233 47 HB3 PHE 7 3HB PHE 7 11.529 -3.852 9.718 48 HD1 PHE 7 HD1 PHE 7 13.659 -2.886 9.751 49 HD2 PHE 7 HD2 PHE 7 11.795 -3.762 6.026 50 HE1 PHE 7 HE1 PHE 7 15.425 -1.637 8.578 51 HE2 PHE 7 HE2 PHE 7 13.558 -2.515 4.847 52 HZ PHE 7 HZ PHE 7 15.376 -1.451 6.122 53 HA PRO 8 HA PRO 8 12.035 -6.148 12.792 54 HB2 PRO 8 2HB PRO 8 9.541 -6.622 13.753 55 HB3 PRO 8 3HB PRO 8 10.165 -4.994 13.463 56 HG2 PRO 8 2HG PRO 8 8.362 -6.664 11.753 57 HG3 PRO 8 3HG PRO 8 8.253 -4.937 12.140 58 HD2 PRO 8 2HD PRO 8 9.257 -5.843 9.795 59 HD3 PRO 8 3HD PRO 8 9.838 -4.356 10.571 60 HA PRO 9 HA PRO 9 12.118 -10.530 13.139 61 HB2 PRO 9 2HB PRO 9 11.758 -10.930 15.800 62 HB3 PRO 9 3HB PRO 9 13.249 -10.266 15.121 63 HG2 PRO 9 2HG PRO 9 10.948 -8.837 16.396 64 HG3 PRO 9 3HG PRO 9 12.688 -8.567 16.606 65 HD2 PRO 9 2HD PRO 9 11.154 -7.011 15.006 66 HD3 PRO 9 3HD PRO 9 12.862 -7.349 14.656 67 H GLN 10 H GLN 10 10.878 -12.439 13.545 68 HA GLN 10 HA GLN 10 8.338 -12.512 14.701 69 HB2 GLN 10 2HB GLN 10 7.526 -11.077 12.986 70 HB3 GLN 10 3HB GLN 10 8.368 -11.981 11.734 71 HG2 GLN 10 2HG GLN 10 6.855 -13.757 11.833 72 HG3 GLN 10 3HG GLN 10 6.218 -13.241 13.394 73 HE21 GLN 10 1HE2 GLN 10 5.530 -10.735 13.146 74 HE22 GLN 10 2HE2 GLN 10 4.386 -10.487 11.876 75 H GLN 11 H GLN 11 9.196 -14.465 15.436 76 HA GLN 11 HA GLN 11 9.039 -16.645 13.481 77 HB2 GLN 11 2HB GLN 11 11.447 -15.922 14.015 78 HB3 GLN 11 3HB GLN 11 11.168 -16.613 15.608 79 HG2 GLN 11 2HG GLN 11 10.334 -18.597 13.880 80 HG3 GLN 11 3HG GLN 11 11.757 -17.918 13.091 81 HE21 GLN 11 1HE2 GLN 11 13.701 -18.511 13.790 82 HE22 GLN 11 2HE2 GLN 11 14.013 -19.424 15.222 83 HA PRO 12 HA PRO 12 6.576 -17.413 17.364 84 HB2 PRO 12 2HB PRO 12 4.278 -18.064 16.073 85 HB3 PRO 12 3HB PRO 12 4.702 -16.402 16.501 86 HG2 PRO 12 2HG PRO 12 4.987 -17.815 13.877 87 HG3 PRO 12 3HG PRO 12 4.414 -16.170 14.205 88 HD2 PRO 12 2HD PRO 12 6.927 -16.691 13.345 89 HD3 PRO 12 3HD PRO 12 6.550 -15.333 14.424 90 H TYR 13 H TYR 13 7.831 -19.271 17.747 91 HA TYR 13 HA TYR 13 7.215 -21.665 16.183 92 HB2 TYR 13 2HB TYR 13 9.602 -20.891 16.867 93 HB3 TYR 13 3HB TYR 13 9.195 -21.568 18.440 94 HD1 TYR 13 HD1 TYR 13 10.300 -23.574 18.724 95 HD2 TYR 13 HD2 TYR 13 8.549 -22.720 14.942 96 HE1 TYR 13 HE1 TYR 13 10.940 -25.812 17.930 97 HE2 TYR 13 HE2 TYR 13 9.183 -24.956 14.137 98 HH TYR 13 HH TYR 13 9.665 -27.289 15.374 Start of MODEL 39 1 H1 LEU 1 H LEU 1 3.812 -8.085 -1.409 2 HA LEU 1 HA LEU 1 3.758 -5.819 -1.695 3 HB2 LEU 1 2HB LEU 1 1.292 -6.947 -2.356 4 HB3 LEU 1 3HB LEU 1 0.902 -5.492 -1.441 5 HG LEU 1 HG LEU 1 2.734 -4.510 -3.174 6 HD11 LEU 1 1HD1 LEU 1 1.463 -6.896 -4.448 7 HD12 LEU 1 2HD1 LEU 1 3.131 -6.331 -4.539 8 HD13 LEU 1 3HD1 LEU 1 1.861 -5.477 -5.416 9 HD21 LEU 1 1HD2 LEU 1 -0.192 -4.607 -3.002 10 HD22 LEU 1 2HD2 LEU 1 0.438 -4.185 -4.594 11 HD23 LEU 1 3HD2 LEU 1 0.892 -3.228 -3.183 12 H GLY 2 H GLY 2 4.521 -4.563 -0.119 13 HA2 GLY 2 2HA GLY 2 3.257 -2.899 1.496 14 HA3 GLY 2 3HA GLY 2 3.085 -4.384 2.421 15 H GLN 3 H GLN 3 5.355 -5.623 2.457 16 HA GLN 3 HA GLN 3 7.441 -5.682 3.358 17 HB2 GLN 3 2HB GLN 3 7.478 -3.306 1.607 18 HB3 GLN 3 3HB GLN 3 8.734 -3.354 2.838 19 HG2 GLN 3 2HG GLN 3 9.549 -5.447 2.015 20 HG3 GLN 3 3HG GLN 3 8.195 -5.585 0.895 21 HE21 GLN 3 1HE2 GLN 3 8.624 -5.053 -1.113 22 HE22 GLN 3 2HE2 GLN 3 9.853 -3.960 -1.642 23 H GLN 4 H GLN 4 6.083 -5.492 5.379 24 HA GLN 4 HA GLN 4 7.359 -3.770 7.207 25 HB2 GLN 4 2HB GLN 4 5.847 -2.131 6.039 26 HB3 GLN 4 3HB GLN 4 4.479 -3.037 6.672 27 HG2 GLN 4 2HG GLN 4 4.644 -1.403 8.245 28 HG3 GLN 4 3HG GLN 4 5.682 -2.631 8.967 29 HE21 GLN 4 1HE2 GLN 4 5.838 0.076 9.598 30 HE22 GLN 4 2HE2 GLN 4 7.361 0.684 9.056 31 H GLN 5 H GLN 5 7.491 -6.042 7.922 32 HA GLN 5 HA GLN 5 5.868 -6.540 10.129 33 HB2 GLN 5 2HB GLN 5 4.576 -7.255 7.749 34 HB3 GLN 5 3HB GLN 5 5.152 -8.770 8.432 35 HG2 GLN 5 2HG GLN 5 3.663 -6.798 10.116 36 HG3 GLN 5 3HG GLN 5 2.808 -7.925 9.065 37 HE21 GLN 5 1HE2 GLN 5 1.863 -8.991 10.794 38 HE22 GLN 5 2HE2 GLN 5 2.759 -10.038 11.836 39 H ALA 6 H ALA 6 7.834 -6.999 11.074 40 HA ALA 6 HA ALA 6 9.539 -8.313 11.815 41 HB1 ALA 6 1HB ALA 6 9.319 -10.658 11.702 42 HB2 ALA 6 2HB ALA 6 7.674 -10.026 11.767 43 HB3 ALA 6 3HB ALA 6 8.348 -10.574 10.232 44 H PHE 7 H PHE 7 10.804 -6.899 10.340 45 HA PHE 7 HA PHE 7 11.576 -7.782 7.763 46 HB2 PHE 7 2HB PHE 7 12.030 -5.516 9.380 47 HB3 PHE 7 3HB PHE 7 13.619 -6.172 8.999 48 HD1 PHE 7 HD1 PHE 7 14.626 -5.163 7.215 49 HD2 PHE 7 HD2 PHE 7 10.403 -5.688 7.160 50 HE1 PHE 7 HE1 PHE 7 14.528 -4.111 4.993 51 HE2 PHE 7 HE2 PHE 7 10.298 -4.637 4.938 52 HZ PHE 7 HZ PHE 7 12.362 -3.848 3.851 53 HA PRO 8 HA PRO 8 15.603 -9.368 9.910 54 HB2 PRO 8 2HB PRO 8 15.616 -9.456 12.624 55 HB3 PRO 8 3HB PRO 8 16.144 -8.041 11.706 56 HG2 PRO 8 2HG PRO 8 13.517 -8.558 13.046 57 HG3 PRO 8 3HG PRO 8 14.490 -7.075 13.025 58 HD2 PRO 8 2HD PRO 8 12.330 -7.424 11.429 59 HD3 PRO 8 3HD PRO 8 13.738 -6.462 10.934 60 HA PRO 9 HA PRO 9 14.263 -13.500 10.596 61 HB2 PRO 9 2HB PRO 9 16.374 -14.609 11.892 62 HB3 PRO 9 3HB PRO 9 16.418 -14.177 10.178 63 HG2 PRO 9 2HG PRO 9 17.486 -12.677 12.539 64 HG3 PRO 9 3HG PRO 9 18.233 -12.947 10.953 65 HD2 PRO 9 2HD PRO 9 17.004 -10.625 11.607 66 HD3 PRO 9 3HD PRO 9 17.014 -11.267 9.952 67 H GLN 10 H GLN 10 12.543 -13.522 11.985 68 HA GLN 10 HA GLN 10 12.843 -14.617 14.535 69 HB2 GLN 10 2HB GLN 10 13.690 -12.537 15.318 70 HB3 GLN 10 3HB GLN 10 12.442 -11.631 14.474 71 HG2 GLN 10 2HG GLN 10 10.795 -12.238 16.008 72 HG3 GLN 10 3HG GLN 10 11.753 -13.574 16.644 73 HE21 GLN 10 1HE2 GLN 10 11.990 -13.065 18.723 74 HE22 GLN 10 2HE2 GLN 10 12.668 -11.591 19.316 75 H GLN 11 H GLN 11 11.204 -15.921 13.689 76 HA GLN 11 HA GLN 11 8.531 -14.813 14.015 77 HB2 GLN 11 2HB GLN 11 9.082 -14.582 11.601 78 HB3 GLN 11 3HB GLN 11 9.323 -16.322 11.519 79 HG2 GLN 11 2HG GLN 11 7.186 -16.459 10.950 80 HG3 GLN 11 3HG GLN 11 6.818 -16.084 12.633 81 HE21 GLN 11 1HE2 GLN 11 6.789 -14.972 9.389 82 HE22 GLN 11 2HE2 GLN 11 6.020 -13.453 9.681 83 HA PRO 12 HA PRO 12 9.141 -19.044 15.834 84 HB2 PRO 12 2HB PRO 12 8.064 -18.418 18.247 85 HB3 PRO 12 3HB PRO 12 9.771 -18.166 17.862 86 HG2 PRO 12 2HG PRO 12 7.517 -16.196 17.858 87 HG3 PRO 12 3HG PRO 12 9.169 -16.004 18.473 88 HD2 PRO 12 2HD PRO 12 8.384 -15.023 16.074 89 HD3 PRO 12 3HD PRO 12 10.036 -15.597 16.376 90 H TYR 13 H TYR 13 7.545 -19.862 14.432 91 HA TYR 13 HA TYR 13 4.751 -19.392 15.188 92 HB2 TYR 13 2HB TYR 13 5.927 -19.462 12.715 93 HB3 TYR 13 3HB TYR 13 5.280 -21.093 12.849 94 HD1 TYR 13 HD1 TYR 13 4.562 -18.048 11.524 95 HD2 TYR 13 HD2 TYR 13 2.768 -20.965 14.049 96 HE1 TYR 13 HE1 TYR 13 2.335 -17.209 10.901 97 HE2 TYR 13 HE2 TYR 13 0.537 -20.135 13.432 98 HH TYR 13 HH TYR 13 0.138 -17.511 11.075 Start of MODEL 40 1 H1 LEU 1 H LEU 1 0.253 -3.701 -2.238 2 HA LEU 1 HA LEU 1 2.565 -5.303 -1.449 3 HB2 LEU 1 2HB LEU 1 2.445 -4.286 -3.967 4 HB3 LEU 1 3HB LEU 1 3.240 -2.972 -3.103 5 HG LEU 1 HG LEU 1 4.322 -5.713 -2.735 6 HD11 LEU 1 1HD1 LEU 1 5.230 -5.961 -4.792 7 HD12 LEU 1 2HD1 LEU 1 5.324 -4.225 -5.084 8 HD13 LEU 1 3HD1 LEU 1 3.786 -5.067 -5.270 9 HD21 LEU 1 1HD2 LEU 1 5.548 -4.196 -1.535 10 HD22 LEU 1 2HD2 LEU 1 5.287 -2.896 -2.698 11 HD23 LEU 1 3HD2 LEU 1 6.437 -4.185 -3.058 12 H GLY 2 H GLY 2 2.676 -4.654 0.625 13 HA2 GLY 2 2HA GLY 2 2.622 -1.751 1.156 14 HA3 GLY 2 3HA GLY 2 2.189 -2.986 2.328 15 H GLN 3 H GLN 3 4.326 -4.750 1.977 16 HA GLN 3 HA GLN 3 6.440 -5.142 2.719 17 HB2 GLN 3 2HB GLN 3 6.662 -2.616 1.207 18 HB3 GLN 3 3HB GLN 3 7.972 -2.936 2.334 19 HG2 GLN 3 2HG GLN 3 8.477 -5.011 1.259 20 HG3 GLN 3 3HG GLN 3 7.053 -4.876 0.229 21 HE21 GLN 3 1HE2 GLN 3 8.573 -5.153 -1.521 22 HE22 GLN 3 2HE2 GLN 3 9.447 -3.787 -2.114 23 H GLN 4 H GLN 4 5.236 -5.008 4.840 24 HA GLN 4 HA GLN 4 6.817 -3.644 6.730 25 HB2 GLN 4 2HB GLN 4 5.449 -1.729 5.834 26 HB3 GLN 4 3HB GLN 4 4.021 -2.533 6.472 27 HG2 GLN 4 2HG GLN 4 4.729 -0.834 8.006 28 HG3 GLN 4 3HG GLN 4 5.000 -2.418 8.729 29 HE21 GLN 4 1HE2 GLN 4 6.762 -2.363 9.915 30 HE22 GLN 4 2HE2 GLN 4 8.259 -1.617 9.484 31 H GLN 5 H GLN 5 6.836 -5.803 7.493 32 HA GLN 5 HA GLN 5 5.095 -6.348 9.597 33 HB2 GLN 5 2HB GLN 5 3.925 -6.984 7.132 34 HB3 GLN 5 3HB GLN 5 4.453 -8.523 7.800 35 HG2 GLN 5 2HG GLN 5 3.007 -6.685 9.613 36 HG3 GLN 5 3HG GLN 5 2.079 -7.462 8.332 37 HE21 GLN 5 1HE2 GLN 5 1.937 -9.734 8.296 38 HE22 GLN 5 2HE2 GLN 5 2.217 -10.671 9.720 39 H ALA 6 H ALA 6 7.005 -6.851 10.629 40 HA ALA 6 HA ALA 6 8.659 -8.200 11.421 41 HB1 ALA 6 1HB ALA 6 7.584 -10.423 9.714 42 HB2 ALA 6 2HB ALA 6 8.404 -10.524 11.272 43 HB3 ALA 6 3HB ALA 6 6.761 -9.891 11.180 44 H PHE 7 H PHE 7 10.011 -6.757 10.057 45 HA PHE 7 HA PHE 7 10.912 -7.573 7.500 46 HB2 PHE 7 2HB PHE 7 11.296 -5.359 9.203 47 HB3 PHE 7 3HB PHE 7 12.898 -6.017 8.887 48 HD1 PHE 7 HD1 PHE 7 14.013 -5.031 7.155 49 HD2 PHE 7 HD2 PHE 7 9.778 -5.388 6.930 50 HE1 PHE 7 HE1 PHE 7 14.039 -3.916 4.962 51 HE2 PHE 7 HE2 PHE 7 9.797 -4.274 4.736 52 HZ PHE 7 HZ PHE 7 11.929 -3.537 3.749 53 HA PRO 8 HA PRO 8 14.807 -9.255 9.810 54 HB2 PRO 8 2HB PRO 8 14.676 -9.419 12.517 55 HB3 PRO 8 3HB PRO 8 15.262 -7.983 11.669 56 HG2 PRO 8 2HG PRO 8 12.565 -8.514 12.854 57 HG3 PRO 8 3HG PRO 8 13.548 -7.040 12.926 58 HD2 PRO 8 2HD PRO 8 11.473 -7.325 11.210 59 HD3 PRO 8 3HD PRO 8 12.912 -6.362 10.817 60 HA PRO 9 HA PRO 9 13.403 -13.392 10.306 61 HB2 PRO 9 2HB PRO 9 15.435 -14.556 11.679 62 HB3 PRO 9 3HB PRO 9 15.572 -14.076 9.984 63 HG2 PRO 9 2HG PRO 9 16.525 -12.652 12.438 64 HG3 PRO 9 3HG PRO 9 17.353 -12.885 10.888 65 HD2 PRO 9 2HD PRO 9 16.108 -10.571 11.541 66 HD3 PRO 9 3HD PRO 9 16.201 -11.166 9.871 67 H GLN 10 H GLN 10 11.666 -13.694 11.581 68 HA GLN 10 HA GLN 10 11.896 -14.699 14.175 69 HB2 GLN 10 2HB GLN 10 12.450 -12.522 14.958 70 HB3 GLN 10 3HB GLN 10 11.174 -11.778 14.003 71 HG2 GLN 10 2HG GLN 10 9.570 -12.256 15.513 72 HG3 GLN 10 3HG GLN 10 10.315 -13.783 15.985 73 HE21 GLN 10 1HE2 GLN 10 11.389 -10.400 16.007 74 HE22 GLN 10 2HE2 GLN 10 11.837 -10.376 17.676 75 H GLN 11 H GLN 11 10.473 -16.196 13.271 76 HA GLN 11 HA GLN 11 7.870 -15.315 12.346 77 HB2 GLN 11 2HB GLN 11 9.459 -17.772 12.208 78 HB3 GLN 11 3HB GLN 11 7.748 -18.059 12.495 79 HG2 GLN 11 2HG GLN 11 7.215 -17.567 10.398 80 HG3 GLN 11 3HG GLN 11 8.186 -16.096 10.412 81 HE21 GLN 11 1HE2 GLN 11 9.713 -16.075 8.943 82 HE22 GLN 11 2HE2 GLN 11 10.577 -17.445 8.341 83 HA PRO 12 HA PRO 12 5.586 -15.909 16.042 84 HB2 PRO 12 2HB PRO 12 3.300 -17.064 15.142 85 HB3 PRO 12 3HB PRO 12 3.697 -15.366 14.852 86 HG2 PRO 12 2HG PRO 12 4.008 -17.722 13.032 87 HG3 PRO 12 3HG PRO 12 3.408 -16.095 12.663 88 HD2 PRO 12 2HD PRO 12 5.931 -16.885 12.076 89 HD3 PRO 12 3HD PRO 12 5.531 -15.211 12.509 90 H TYR 13 H TYR 13 6.500 -17.362 17.404 91 HA TYR 13 HA TYR 13 6.579 -20.177 16.811 92 HB2 TYR 13 2HB TYR 13 8.070 -18.511 18.414 93 HB3 TYR 13 3HB TYR 13 7.099 -19.392 19.589 94 HD1 TYR 13 HD1 TYR 13 7.321 -21.826 19.811 95 HD2 TYR 13 HD2 TYR 13 9.780 -19.618 17.131 96 HE1 TYR 13 HE1 TYR 13 8.853 -23.743 19.646 97 HE2 TYR 13 HE2 TYR 13 11.318 -21.530 16.958 98 HH TYR 13 HH TYR 13 11.528 -23.911 19.018
Contact the webmaster for help, if required. Tuesday, May 7, 2024 9:31:11 PM GMT (wattos1)