NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
626658 | 5xes | 36074 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 H THR 1 1.806 0.001 0.856 2 HA THR 1 HA THR 1 1.405 0.162 -2.057 3 HB THR 1 HB THR 1 4.120 0.698 -1.131 4 HG1 THR 1 HG1 THR 1 3.012 1.592 0.656 5 HG21 THR 1 1HG2 THR 1 4.113 2.113 -2.890 6 HG22 THR 1 2HG2 THR 1 2.544 2.796 -2.463 7 HG23 THR 1 3HG2 THR 1 2.633 1.263 -3.331 8 H VAL 2 H VAL 2 3.668 -0.647 -3.117 9 HA VAL 2 HA VAL 2 3.785 -3.473 -2.399 10 HB VAL 2 HB VAL 2 5.296 -2.369 -4.720 11 HG11 VAL 2 1HG1 VAL 2 5.397 -4.514 -5.298 12 HG12 VAL 2 2HG1 VAL 2 4.650 -4.905 -3.748 13 HG13 VAL 2 3HG1 VAL 2 3.646 -4.686 -5.182 14 HG21 VAL 2 1HG2 VAL 2 3.158 -2.630 -6.072 15 HG22 VAL 2 2HG2 VAL 2 2.301 -2.554 -4.533 16 HG23 VAL 2 3HG2 VAL 2 3.286 -1.190 -5.062 17 H TYR 3 H TYR 3 6.205 -1.068 -3.446 18 HA TYR 3 HA TYR 3 8.429 -2.449 -2.478 19 HB2 TYR 3 2HB TYR 3 7.934 0.018 -3.764 20 HB3 TYR 3 3HB TYR 3 8.880 0.385 -2.326 21 HD1 TYR 3 HD1 TYR 3 11.189 0.203 -2.421 22 HD2 TYR 3 HD2 TYR 3 8.837 -1.951 -5.237 23 HE1 TYR 3 HE1 TYR 3 13.238 -0.501 -3.584 24 HE2 TYR 3 HE2 TYR 3 10.880 -2.663 -6.407 25 HH TYR 3 HH TYR 3 13.148 -2.817 -6.225 26 H VAL 4 H VAL 4 6.192 -0.300 -0.877 27 HA VAL 4 HA VAL 4 7.760 0.186 1.443 28 HB VAL 4 HB VAL 4 4.772 0.338 1.032 29 HG11 VAL 4 1HG1 VAL 4 6.466 1.287 3.340 30 HG12 VAL 4 2HG1 VAL 4 4.772 1.716 3.089 31 HG13 VAL 4 3HG1 VAL 4 5.224 0.036 3.382 32 HG21 VAL 4 1HG2 VAL 4 5.375 2.117 -0.190 33 HG22 VAL 4 2HG2 VAL 4 5.711 2.885 1.362 34 HG23 VAL 4 3HG2 VAL 4 7.017 2.122 0.454 35 H TYR 5 H TYR 5 5.573 -2.360 0.474 36 HA TYR 5 HA TYR 5 5.495 -3.519 3.133 37 HB2 TYR 5 2HB TYR 5 3.490 -3.611 1.721 38 HB3 TYR 5 3HB TYR 5 4.376 -4.532 0.510 39 HD1 TYR 5 HD1 TYR 5 4.164 -6.831 0.525 40 HD2 TYR 5 HD2 TYR 5 3.515 -4.692 4.145 41 HE1 TYR 5 HE1 TYR 5 3.520 -8.926 1.640 42 HE2 TYR 5 HE2 TYR 5 2.870 -6.781 5.271 43 HH TYR 5 HH TYR 5 2.107 -9.587 3.642 44 H SER 6 H SER 6 7.497 -3.646 0.410 45 HA SER 6 HA SER 6 8.448 -6.350 0.933 46 HB2 SER 6 2HB SER 6 8.954 -4.314 -1.212 47 HB3 SER 6 3HB SER 6 10.086 -5.647 -0.983 48 HG SER 6 HG SER 6 8.638 -7.022 -1.710 49 H ARG 7 H ARG 7 9.185 -3.125 1.783 50 HA ARG 7 HA ARG 7 11.973 -3.337 2.182 51 HB2 ARG 7 2HB ARG 7 11.819 -1.289 3.363 52 HB3 ARG 7 3HB ARG 7 10.591 -1.212 2.106 53 HG2 ARG 7 2HG ARG 7 9.326 -0.478 3.820 54 HG3 ARG 7 3HG ARG 7 9.105 -2.208 4.090 55 HD2 ARG 7 2HD ARG 7 9.850 -1.837 6.160 56 HD3 ARG 7 3HD ARG 7 11.446 -1.651 5.432 57 HE ARG 7 HE ARG 7 10.081 0.804 5.316 58 HH11 ARG 7 1HH1 ARG 7 11.571 -1.341 7.617 59 HH12 ARG 7 2HH1 ARG 7 11.975 -0.077 8.731 60 HH21 ARG 7 1HH2 ARG 7 10.608 2.477 6.773 61 HH22 ARG 7 2HH2 ARG 7 11.426 2.095 8.250 62 H VAL 8 H VAL 8 9.217 -4.286 4.095 63 HA VAL 8 HA VAL 8 10.373 -4.517 6.616 64 HB VAL 8 HB VAL 8 8.338 -6.431 5.474 65 HG11 VAL 8 1HG1 VAL 8 7.622 -6.033 8.032 66 HG12 VAL 8 2HG1 VAL 8 8.716 -7.319 7.519 67 HG13 VAL 8 3HG1 VAL 8 9.366 -5.815 8.172 68 HG21 VAL 8 1HG2 VAL 8 6.792 -4.680 6.715 69 HG22 VAL 8 2HG2 VAL 8 8.107 -3.583 6.296 70 HG23 VAL 8 3HG2 VAL 8 7.259 -4.467 5.027 71 H LYS 9 H LYS 9 10.602 -6.603 3.815 72 HA LYS 9 HA LYS 9 11.810 -8.792 5.221 73 HB2 LYS 9 2HB LYS 9 11.929 -8.274 2.252 74 HB3 LYS 9 3HB LYS 9 12.069 -9.818 3.082 75 HG2 LYS 9 2HG LYS 9 9.578 -8.129 3.041 76 HG3 LYS 9 3HG LYS 9 9.894 -9.480 1.950 77 HD2 LYS 9 2HD LYS 9 10.017 -9.825 4.928 78 HD3 LYS 9 3HD LYS 9 8.482 -9.912 4.061 79 HE2 LYS 9 2HE LYS 9 8.936 -12.059 3.686 80 HE3 LYS 9 3HE LYS 9 10.199 -11.515 2.583 81 HZ1 LYS 9 1HZ LYS 9 10.923 -13.117 4.343 82 HZ2 LYS 9 2HZ LYS 9 10.649 -11.902 5.487 83 HZ3 LYS 9 3HZ LYS 9 11.814 -11.680 4.281 Start of MODEL 2 1 H1 THR 1 H THR 1 2.055 -1.521 1.139 2 HA THR 1 HA THR 1 1.826 -1.272 -1.774 3 HB THR 1 HB THR 1 4.320 -0.297 -0.639 4 HG1 THR 1 HG1 THR 1 1.888 0.429 0.558 5 HG21 THR 1 1HG2 THR 1 3.901 0.617 -2.687 6 HG22 THR 1 2HG2 THR 1 3.156 1.863 -1.684 7 HG23 THR 1 3HG2 THR 1 2.154 0.628 -2.446 8 H VAL 2 H VAL 2 4.188 -1.531 -2.801 9 HA VAL 2 HA VAL 2 4.898 -4.313 -2.294 10 HB VAL 2 HB VAL 2 6.194 -2.722 -4.456 11 HG11 VAL 2 1HG1 VAL 2 5.279 -5.556 -4.073 12 HG12 VAL 2 2HG1 VAL 2 5.739 -4.929 -5.657 13 HG13 VAL 2 3HG1 VAL 2 6.913 -4.951 -4.341 14 HG21 VAL 2 1HG2 VAL 2 4.195 -3.306 -5.913 15 HG22 VAL 2 2HG2 VAL 2 3.304 -3.549 -4.411 16 HG23 VAL 2 3HG2 VAL 2 3.986 -1.967 -4.785 17 H TYR 3 H TYR 3 6.774 -1.371 -3.047 18 HA TYR 3 HA TYR 3 9.203 -2.359 -2.046 19 HB2 TYR 3 2HB TYR 3 8.223 0.454 -2.528 20 HB3 TYR 3 3HB TYR 3 9.864 0.095 -2.002 21 HD1 TYR 3 HD1 TYR 3 11.206 -1.565 -3.490 22 HD2 TYR 3 HD2 TYR 3 7.730 0.512 -4.797 23 HE1 TYR 3 HE1 TYR 3 11.881 -1.918 -5.828 24 HE2 TYR 3 HE2 TYR 3 8.396 0.163 -7.139 25 HH TYR 3 HH TYR 3 9.771 -1.214 -8.477 26 H VAL 4 H VAL 4 6.530 -0.730 -0.501 27 HA VAL 4 HA VAL 4 7.875 -0.020 1.897 28 HB VAL 4 HB VAL 4 4.934 -0.450 1.359 29 HG11 VAL 4 1HG1 VAL 4 6.314 0.753 3.755 30 HG12 VAL 4 2HG1 VAL 4 4.579 0.840 3.441 31 HG13 VAL 4 3HG1 VAL 4 5.349 -0.722 3.720 32 HG21 VAL 4 1HG2 VAL 4 6.354 1.425 0.213 33 HG22 VAL 4 2HG2 VAL 4 4.768 1.798 0.888 34 HG23 VAL 4 3HG2 VAL 4 6.228 2.205 1.790 35 H TYR 5 H TYR 5 6.390 -2.939 0.739 36 HA TYR 5 HA TYR 5 6.430 -4.167 3.383 37 HB2 TYR 5 2HB TYR 5 5.264 -4.876 0.733 38 HB3 TYR 5 3HB TYR 5 5.649 -6.190 1.839 39 HD1 TYR 5 HD1 TYR 5 4.267 -2.774 2.450 40 HD2 TYR 5 HD2 TYR 5 3.659 -6.976 2.721 41 HE1 TYR 5 HE1 TYR 5 2.150 -2.384 3.639 42 HE2 TYR 5 HE2 TYR 5 1.540 -6.599 3.910 43 HH TYR 5 HH TYR 5 0.176 -3.397 4.265 44 H SER 6 H SER 6 8.455 -3.819 0.697 45 HA SER 6 HA SER 6 9.825 -6.326 0.875 46 HB2 SER 6 2HB SER 6 10.639 -3.718 -0.430 47 HB3 SER 6 3HB SER 6 11.488 -5.251 -0.624 48 HG SER 6 HG SER 6 9.446 -4.371 -2.020 49 H ARG 7 H ARG 7 9.925 -3.397 2.627 50 HA ARG 7 HA ARG 7 12.651 -3.639 3.520 51 HB2 ARG 7 2HB ARG 7 12.241 -1.707 4.828 52 HB3 ARG 7 3HB ARG 7 11.354 -1.469 3.328 53 HG2 ARG 7 2HG ARG 7 9.377 -2.513 4.696 54 HG3 ARG 7 3HG ARG 7 10.335 -1.974 6.076 55 HD2 ARG 7 2HD ARG 7 9.715 -0.131 3.793 56 HD3 ARG 7 3HD ARG 7 8.565 -0.375 5.108 57 HE ARG 7 HE ARG 7 10.978 0.221 6.303 58 HH11 ARG 7 1HH1 ARG 7 8.787 1.770 4.085 59 HH12 ARG 7 2HH1 ARG 7 9.196 3.374 4.598 60 HH21 ARG 7 1HH2 ARG 7 11.525 2.327 6.987 61 HH22 ARG 7 2HH2 ARG 7 10.754 3.690 6.248 62 H VAL 8 H VAL 8 9.504 -4.664 4.616 63 HA VAL 8 HA VAL 8 10.019 -5.173 7.304 64 HB VAL 8 HB VAL 8 8.285 -6.890 5.529 65 HG11 VAL 8 1HG1 VAL 8 6.978 -6.721 7.858 66 HG12 VAL 8 2HG1 VAL 8 8.170 -7.976 7.514 67 HG13 VAL 8 3HG1 VAL 8 8.632 -6.550 8.445 68 HG21 VAL 8 1HG2 VAL 8 7.188 -4.994 5.061 69 HG22 VAL 8 2HG2 VAL 8 6.606 -5.092 6.722 70 HG23 VAL 8 3HG2 VAL 8 8.008 -4.094 6.337 71 H LYS 9 H LYS 9 10.884 -6.989 4.442 72 HA LYS 9 HA LYS 9 11.846 -9.242 6.015 73 HB2 LYS 9 2HB LYS 9 11.431 -8.700 3.110 74 HB3 LYS 9 3HB LYS 9 12.608 -9.924 3.569 75 HG2 LYS 9 2HG LYS 9 11.019 -11.404 4.026 76 HG3 LYS 9 3HG LYS 9 10.122 -10.246 5.010 77 HD2 LYS 9 2HD LYS 9 8.592 -10.546 3.354 78 HD3 LYS 9 3HD LYS 9 9.540 -9.259 2.606 79 HE2 LYS 9 2HE LYS 9 10.292 -10.606 0.982 80 HE3 LYS 9 3HE LYS 9 10.597 -11.934 2.101 81 HZ1 LYS 9 1HZ LYS 9 8.489 -11.653 0.286 82 HZ2 LYS 9 2HZ LYS 9 7.828 -11.615 1.842 83 HZ3 LYS 9 3HZ LYS 9 8.781 -12.927 1.361 Start of MODEL 3 1 H1 THR 1 H THR 1 3.192 1.405 -1.091 2 HA THR 1 HA THR 1 1.810 -0.574 0.211 3 HB THR 1 HB THR 1 1.888 -0.420 -2.799 4 HG1 THR 1 HG1 THR 1 0.572 1.300 -0.944 5 HG21 THR 1 1HG2 THR 1 0.232 -1.901 -2.588 6 HG22 THR 1 2HG2 THR 1 -0.726 -0.624 -1.838 7 HG23 THR 1 3HG2 THR 1 0.219 -1.723 -0.834 8 H VAL 2 H VAL 2 3.711 -1.206 -2.743 9 HA VAL 2 HA VAL 2 3.982 -3.997 -1.935 10 HB VAL 2 HB VAL 2 5.163 -2.965 -4.471 11 HG11 VAL 2 1HG1 VAL 2 4.753 -5.461 -3.334 12 HG12 VAL 2 2HG1 VAL 2 3.510 -5.339 -4.581 13 HG13 VAL 2 3HG1 VAL 2 5.210 -5.126 -5.004 14 HG21 VAL 2 1HG2 VAL 2 3.099 -1.838 -4.599 15 HG22 VAL 2 2HG2 VAL 2 2.878 -3.320 -5.531 16 HG23 VAL 2 3HG2 VAL 2 2.221 -3.198 -3.899 17 H TYR 3 H TYR 3 6.195 -1.594 -3.374 18 HA TYR 3 HA TYR 3 8.550 -2.903 -2.612 19 HB2 TYR 3 2HB TYR 3 8.273 -1.043 -4.331 20 HB3 TYR 3 3HB TYR 3 8.300 0.081 -2.977 21 HD1 TYR 3 HD1 TYR 3 10.312 1.211 -2.968 22 HD2 TYR 3 HD2 TYR 3 10.314 -2.968 -3.767 23 HE1 TYR 3 HE1 TYR 3 12.771 1.230 -3.029 24 HE2 TYR 3 HE2 TYR 3 12.773 -2.961 -3.828 25 HH TYR 3 HH TYR 3 14.592 -0.791 -4.378 26 H VAL 4 H VAL 4 6.513 -0.618 -0.918 27 HA VAL 4 HA VAL 4 8.347 0.008 1.160 28 HB VAL 4 HB VAL 4 5.333 0.184 1.089 29 HG11 VAL 4 1HG1 VAL 4 6.049 0.044 3.386 30 HG12 VAL 4 2HG1 VAL 4 7.293 1.266 3.110 31 HG13 VAL 4 3HG1 VAL 4 5.587 1.707 3.024 32 HG21 VAL 4 1HG2 VAL 4 6.001 1.746 -0.445 33 HG22 VAL 4 2HG2 VAL 4 6.089 2.709 1.029 34 HG23 VAL 4 3HG2 VAL 4 7.557 2.016 0.340 35 H TYR 5 H TYR 5 6.199 -2.642 0.570 36 HA TYR 5 HA TYR 5 6.261 -3.566 3.319 37 HB2 TYR 5 2HB TYR 5 4.779 -4.244 0.875 38 HB3 TYR 5 3HB TYR 5 5.208 -5.637 1.863 39 HD1 TYR 5 HD1 TYR 5 4.309 -2.192 2.952 40 HD2 TYR 5 HD2 TYR 5 3.188 -6.294 2.829 41 HE1 TYR 5 HE1 TYR 5 2.413 -1.712 4.442 42 HE2 TYR 5 HE2 TYR 5 1.288 -5.825 4.319 43 HH TYR 5 HH TYR 5 0.927 -3.659 6.213 44 H SER 6 H SER 6 8.193 -3.838 0.556 45 HA SER 6 HA SER 6 9.184 -6.474 0.891 46 HB2 SER 6 2HB SER 6 10.359 -4.049 -0.483 47 HB3 SER 6 3HB SER 6 11.082 -5.656 -0.547 48 HG SER 6 HG SER 6 9.699 -6.148 -2.036 49 H ARG 7 H ARG 7 9.724 -3.554 2.577 50 HA ARG 7 HA ARG 7 12.359 -4.166 3.531 51 HB2 ARG 7 2HB ARG 7 12.178 -2.206 4.849 52 HB3 ARG 7 3HB ARG 7 11.347 -1.849 3.341 53 HG2 ARG 7 2HG ARG 7 9.223 -2.591 4.626 54 HG3 ARG 7 3HG ARG 7 10.209 -2.311 6.062 55 HD2 ARG 7 2HD ARG 7 9.806 -0.274 3.879 56 HD3 ARG 7 3HD ARG 7 8.814 -0.359 5.334 57 HE ARG 7 HE ARG 7 11.308 -0.218 6.335 58 HH11 ARG 7 1HH1 ARG 7 9.616 1.671 3.951 59 HH12 ARG 7 2HH1 ARG 7 10.479 3.131 4.305 60 HH21 ARG 7 1HH2 ARG 7 12.451 1.698 6.811 61 HH22 ARG 7 2HH2 ARG 7 12.092 3.145 5.931 62 H VAL 8 H VAL 8 9.094 -4.795 4.578 63 HA VAL 8 HA VAL 8 9.500 -5.381 7.268 64 HB VAL 8 HB VAL 8 7.600 -6.864 5.452 65 HG11 VAL 8 1HG1 VAL 8 7.309 -7.942 7.419 66 HG12 VAL 8 2HG1 VAL 8 7.946 -6.602 8.374 67 HG13 VAL 8 3HG1 VAL 8 6.290 -6.546 7.769 68 HG21 VAL 8 1HG2 VAL 8 7.656 -4.061 6.270 69 HG22 VAL 8 2HG2 VAL 8 6.738 -4.849 4.987 70 HG23 VAL 8 3HG2 VAL 8 6.138 -4.879 6.645 71 H LYS 9 H LYS 9 10.178 -7.277 4.406 72 HA LYS 9 HA LYS 9 10.453 -9.815 5.463 73 HB2 LYS 9 2HB LYS 9 11.525 -8.368 3.138 74 HB3 LYS 9 3HB LYS 9 12.514 -9.723 3.666 75 HG2 LYS 9 2HG LYS 9 10.995 -11.261 3.022 76 HG3 LYS 9 3HG LYS 9 9.619 -10.237 3.436 77 HD2 LYS 9 2HD LYS 9 9.446 -10.195 1.160 78 HD3 LYS 9 3HD LYS 9 10.528 -8.820 1.391 79 HE2 LYS 9 2HE LYS 9 11.759 -9.900 -0.167 80 HE3 LYS 9 3HE LYS 9 12.337 -10.797 1.237 81 HZ1 LYS 9 1HZ LYS 9 11.536 -12.643 0.352 82 HZ2 LYS 9 2HZ LYS 9 11.007 -11.787 -1.008 83 HZ3 LYS 9 3HZ LYS 9 9.974 -11.994 0.316 Start of MODEL 4 1 H1 THR 1 H THR 1 3.855 1.894 -1.729 2 HA THR 1 HA THR 1 1.923 0.156 -0.573 3 HB THR 1 HB THR 1 2.644 0.360 -3.500 4 HG1 THR 1 HG1 THR 1 1.775 2.282 -3.456 5 HG21 THR 1 1HG2 THR 1 0.247 -0.634 -1.984 6 HG22 THR 1 2HG2 THR 1 1.193 -1.463 -3.220 7 HG23 THR 1 3HG2 THR 1 0.132 -0.129 -3.669 8 H VAL 2 H VAL 2 4.302 -0.618 -3.116 9 HA VAL 2 HA VAL 2 4.312 -3.394 -2.217 10 HB VAL 2 HB VAL 2 5.966 -2.474 -4.521 11 HG11 VAL 2 1HG1 VAL 2 4.234 -4.794 -4.824 12 HG12 VAL 2 2HG1 VAL 2 5.978 -4.645 -5.046 13 HG13 VAL 2 3HG1 VAL 2 5.313 -4.918 -3.435 14 HG21 VAL 2 1HG2 VAL 2 2.962 -2.576 -4.475 15 HG22 VAL 2 2HG2 VAL 2 4.007 -1.272 -5.039 16 HG23 VAL 2 3HG2 VAL 2 3.890 -2.770 -5.963 17 H TYR 3 H TYR 3 6.844 -1.115 -3.285 18 HA TYR 3 HA TYR 3 8.977 -2.487 -2.112 19 HB2 TYR 3 2HB TYR 3 8.588 0.348 -3.018 20 HB3 TYR 3 3HB TYR 3 10.073 -0.122 -2.198 21 HD1 TYR 3 HD1 TYR 3 11.214 -2.307 -3.190 22 HD2 TYR 3 HD2 TYR 3 8.529 0.213 -5.321 23 HE1 TYR 3 HE1 TYR 3 12.127 -3.141 -5.316 24 HE2 TYR 3 HE2 TYR 3 9.434 -0.615 -7.452 25 HH TYR 3 HH TYR 3 10.650 -2.834 -8.198 26 H VAL 4 H VAL 4 6.714 -0.192 -0.781 27 HA VAL 4 HA VAL 4 8.175 0.441 1.571 28 HB VAL 4 HB VAL 4 5.212 0.596 1.008 29 HG11 VAL 4 1HG1 VAL 4 5.136 2.120 2.957 30 HG12 VAL 4 2HG1 VAL 4 5.550 0.461 3.393 31 HG13 VAL 4 3HG1 VAL 4 6.809 1.695 3.318 32 HG21 VAL 4 1HG2 VAL 4 7.519 2.377 0.526 33 HG22 VAL 4 2HG2 VAL 4 6.006 2.212 -0.365 34 HG23 VAL 4 3HG2 VAL 4 6.050 3.141 1.133 35 H TYR 5 H TYR 5 5.985 -2.136 0.687 36 HA TYR 5 HA TYR 5 5.781 -3.104 3.416 37 HB2 TYR 5 2HB TYR 5 3.824 -3.267 1.958 38 HB3 TYR 5 3HB TYR 5 4.734 -4.256 0.821 39 HD1 TYR 5 HD1 TYR 5 3.663 -6.324 0.836 40 HD2 TYR 5 HD2 TYR 5 4.597 -4.450 4.539 41 HE1 TYR 5 HE1 TYR 5 2.960 -8.354 2.033 42 HE2 TYR 5 HE2 TYR 5 3.898 -6.475 5.747 43 HH TYR 5 HH TYR 5 2.356 -9.154 4.105 44 H SER 6 H SER 6 7.882 -3.456 0.790 45 HA SER 6 HA SER 6 8.739 -6.144 1.483 46 HB2 SER 6 2HB SER 6 9.932 -4.222 -0.529 47 HB3 SER 6 3HB SER 6 10.262 -5.950 -0.401 48 HG SER 6 HG SER 6 8.014 -6.287 -0.869 49 H ARG 7 H ARG 7 9.506 -2.918 2.300 50 HA ARG 7 HA ARG 7 12.217 -2.978 2.822 51 HB2 ARG 7 2HB ARG 7 11.875 -1.145 4.283 52 HB3 ARG 7 3HB ARG 7 10.628 -1.016 3.050 53 HG2 ARG 7 2HG ARG 7 9.084 -2.187 4.672 54 HG3 ARG 7 3HG ARG 7 10.333 -1.934 5.893 55 HD2 ARG 7 2HD ARG 7 9.525 0.419 4.289 56 HD3 ARG 7 3HD ARG 7 8.349 -0.195 5.451 57 HE ARG 7 HE ARG 7 10.716 1.261 6.037 58 HH11 ARG 7 1HH1 ARG 7 8.667 -1.290 7.225 59 HH12 ARG 7 2HH1 ARG 7 9.092 -1.037 8.885 60 HH21 ARG 7 1HH2 ARG 7 11.285 1.605 8.220 61 HH22 ARG 7 2HH2 ARG 7 10.581 0.611 9.450 62 H VAL 8 H VAL 8 9.597 -4.464 4.578 63 HA VAL 8 HA VAL 8 10.804 -4.933 7.041 64 HB VAL 8 HB VAL 8 8.957 -6.862 5.635 65 HG11 VAL 8 1HG1 VAL 8 8.246 -6.889 8.233 66 HG12 VAL 8 2HG1 VAL 8 9.428 -7.994 7.530 67 HG13 VAL 8 3HG1 VAL 8 9.970 -6.550 8.385 68 HG21 VAL 8 1HG2 VAL 8 7.192 -5.540 6.967 69 HG22 VAL 8 2HG2 VAL 8 8.401 -4.257 7.010 70 HG23 VAL 8 3HG2 VAL 8 7.798 -4.849 5.462 71 H LYS 9 H LYS 9 11.205 -6.564 3.971 72 HA LYS 9 HA LYS 9 13.340 -8.188 5.179 73 HB2 LYS 9 2HB LYS 9 12.737 -10.046 3.674 74 HB3 LYS 9 3HB LYS 9 11.441 -9.657 4.798 75 HG2 LYS 9 2HG LYS 9 11.069 -8.132 2.424 76 HG3 LYS 9 3HG LYS 9 11.336 -9.820 1.982 77 HD2 LYS 9 2HD LYS 9 9.512 -9.359 4.254 78 HD3 LYS 9 3HD LYS 9 8.933 -8.808 2.680 79 HE2 LYS 9 2HE LYS 9 9.941 -11.273 2.082 80 HE3 LYS 9 3HE LYS 9 9.312 -11.526 3.709 81 HZ1 LYS 9 1HZ LYS 9 7.167 -10.772 3.010 82 HZ2 LYS 9 2HZ LYS 9 7.677 -11.978 1.939 83 HZ3 LYS 9 3HZ LYS 9 7.746 -10.352 1.477 Start of MODEL 5 1 H1 THR 1 H THR 1 2.006 0.596 0.999 2 HA THR 1 HA THR 1 1.495 0.281 -1.828 3 HB THR 1 HB THR 1 4.295 0.599 -0.991 4 HG1 THR 1 HG1 THR 1 3.530 1.845 0.650 5 HG21 THR 1 1HG2 THR 1 3.813 2.705 -2.518 6 HG22 THR 1 2HG2 THR 1 2.389 1.764 -2.961 7 HG23 THR 1 3HG2 THR 1 4.001 1.094 -3.210 8 H VAL 2 H VAL 2 3.490 -0.826 -3.034 9 HA VAL 2 HA VAL 2 3.464 -3.597 -2.114 10 HB VAL 2 HB VAL 2 4.741 -2.800 -4.687 11 HG11 VAL 2 1HG1 VAL 2 3.421 -5.167 -3.501 12 HG12 VAL 2 2HG1 VAL 2 3.223 -4.928 -5.238 13 HG13 VAL 2 3HG1 VAL 2 4.839 -5.061 -4.543 14 HG21 VAL 2 1HG2 VAL 2 2.430 -2.960 -5.737 15 HG22 VAL 2 2HG2 VAL 2 1.791 -2.698 -4.114 16 HG23 VAL 2 3HG2 VAL 2 2.806 -1.470 -4.870 17 H TYR 3 H TYR 3 5.911 -1.497 -3.646 18 HA TYR 3 HA TYR 3 8.122 -3.007 -2.840 19 HB2 TYR 3 2HB TYR 3 7.685 -0.673 -4.329 20 HB3 TYR 3 3HB TYR 3 8.763 -0.190 -3.023 21 HD1 TYR 3 HD1 TYR 3 11.010 -0.285 -3.502 22 HD2 TYR 3 HD2 TYR 3 8.407 -3.078 -5.380 23 HE1 TYR 3 HE1 TYR 3 12.921 -1.237 -4.723 24 HE2 TYR 3 HE2 TYR 3 10.311 -4.038 -6.605 25 HH TYR 3 HH TYR 3 12.549 -4.081 -6.790 26 H VAL 4 H VAL 4 6.223 -0.658 -1.140 27 HA VAL 4 HA VAL 4 8.113 -0.012 0.881 28 HB VAL 4 HB VAL 4 5.098 0.161 0.893 29 HG11 VAL 4 1HG1 VAL 4 5.880 0.042 3.170 30 HG12 VAL 4 2HG1 VAL 4 7.112 1.265 2.847 31 HG13 VAL 4 3HG1 VAL 4 5.402 1.700 2.806 32 HG21 VAL 4 1HG2 VAL 4 7.264 2.183 0.349 33 HG22 VAL 4 2HG2 VAL 4 6.036 1.598 -0.774 34 HG23 VAL 4 3HG2 VAL 4 5.569 2.599 0.601 35 H TYR 5 H TYR 5 5.896 -2.642 0.400 36 HA TYR 5 HA TYR 5 5.921 -3.540 3.126 37 HB2 TYR 5 2HB TYR 5 4.728 -4.432 0.577 38 HB3 TYR 5 3HB TYR 5 5.112 -5.719 1.715 39 HD1 TYR 5 HD1 TYR 5 3.916 -2.255 2.388 40 HD2 TYR 5 HD2 TYR 5 3.048 -6.418 2.542 41 HE1 TYR 5 HE1 TYR 5 1.845 -1.772 3.624 42 HE2 TYR 5 HE2 TYR 5 0.975 -5.946 3.777 43 HH TYR 5 HH TYR 5 0.086 -4.117 5.250 44 H SER 6 H SER 6 8.082 -3.745 0.532 45 HA SER 6 HA SER 6 9.256 -6.278 1.256 46 HB2 SER 6 2HB SER 6 9.220 -5.224 -1.089 47 HB3 SER 6 3HB SER 6 10.532 -4.196 -0.512 48 HG SER 6 HG SER 6 11.446 -6.394 0.155 49 H ARG 7 H ARG 7 9.554 -3.027 2.257 50 HA ARG 7 HA ARG 7 12.211 -2.803 2.997 51 HB2 ARG 7 2HB ARG 7 11.546 -1.071 4.470 52 HB3 ARG 7 3HB ARG 7 10.399 -1.035 3.137 53 HG2 ARG 7 2HG ARG 7 8.848 -2.395 4.572 54 HG3 ARG 7 3HG ARG 7 9.967 -2.115 5.908 55 HD2 ARG 7 2HD ARG 7 9.287 0.329 4.491 56 HD3 ARG 7 3HD ARG 7 7.869 -0.482 5.153 57 HE ARG 7 HE ARG 7 9.930 0.862 6.619 58 HH11 ARG 7 1HH1 ARG 7 7.538 -1.664 6.755 59 HH12 ARG 7 2HH1 ARG 7 7.382 -1.604 8.479 60 HH21 ARG 7 1HH2 ARG 7 9.734 0.951 8.890 61 HH22 ARG 7 2HH2 ARG 7 8.631 -0.115 9.693 62 H VAL 8 H VAL 8 9.636 -4.626 4.481 63 HA VAL 8 HA VAL 8 10.682 -5.047 7.026 64 HB VAL 8 HB VAL 8 9.179 -7.114 5.419 65 HG11 VAL 8 1HG1 VAL 8 9.856 -6.746 8.281 66 HG12 VAL 8 2HG1 VAL 8 8.253 -7.378 7.901 67 HG13 VAL 8 3HG1 VAL 8 9.694 -8.225 7.335 68 HG21 VAL 8 1HG2 VAL 8 7.862 -5.183 5.206 69 HG22 VAL 8 2HG2 VAL 8 7.161 -6.055 6.570 70 HG23 VAL 8 3HG2 VAL 8 8.205 -4.662 6.856 71 H LYS 9 H LYS 9 11.519 -6.504 3.959 72 HA LYS 9 HA LYS 9 13.033 -8.668 5.018 73 HB2 LYS 9 2HB LYS 9 13.245 -7.343 2.308 74 HB3 LYS 9 3HB LYS 9 13.894 -8.919 2.741 75 HG2 LYS 9 2HG LYS 9 10.984 -8.150 2.639 76 HG3 LYS 9 3HG LYS 9 11.848 -9.172 1.487 77 HD2 LYS 9 2HD LYS 9 12.407 -10.571 3.640 78 HD3 LYS 9 3HD LYS 9 10.972 -9.765 4.277 79 HE2 LYS 9 2HE LYS 9 9.568 -10.903 2.916 80 HE3 LYS 9 3HE LYS 9 10.715 -10.925 1.576 81 HZ1 LYS 9 1HZ LYS 9 10.882 -13.081 2.115 82 HZ2 LYS 9 2HZ LYS 9 10.305 -12.861 3.689 83 HZ3 LYS 9 3HZ LYS 9 11.925 -12.535 3.330 Start of MODEL 6 1 H1 THR 1 H THR 1 2.991 0.150 1.289 2 HA THR 1 HA THR 1 1.953 -0.368 -1.403 3 HB THR 1 HB THR 1 4.757 0.467 -1.186 4 HG1 THR 1 HG1 THR 1 3.836 2.724 -0.750 5 HG21 THR 1 1HG2 THR 1 2.351 1.044 -2.819 6 HG22 THR 1 2HG2 THR 1 4.010 0.721 -3.321 7 HG23 THR 1 3HG2 THR 1 3.568 2.315 -2.711 8 H VAL 2 H VAL 2 4.018 -1.217 -2.818 9 HA VAL 2 HA VAL 2 4.509 -3.883 -1.740 10 HB VAL 2 HB VAL 2 5.422 -3.089 -4.465 11 HG11 VAL 2 1HG1 VAL 2 5.871 -5.332 -3.732 12 HG12 VAL 2 2HG1 VAL 2 4.183 -5.566 -3.273 13 HG13 VAL 2 3HG1 VAL 2 4.620 -5.385 -4.973 14 HG21 VAL 2 1HG2 VAL 2 3.080 -3.664 -5.275 15 HG22 VAL 2 2HG2 VAL 2 2.553 -3.383 -3.616 16 HG23 VAL 2 3HG2 VAL 2 3.297 -2.077 -4.538 17 H TYR 3 H TYR 3 6.465 -1.560 -3.616 18 HA TYR 3 HA TYR 3 8.941 -2.668 -2.934 19 HB2 TYR 3 2HB TYR 3 8.239 0.152 -3.767 20 HB3 TYR 3 3HB TYR 3 9.882 -0.472 -3.670 21 HD1 TYR 3 HD1 TYR 3 7.267 0.180 -5.853 22 HD2 TYR 3 HD2 TYR 3 10.176 -2.805 -4.995 23 HE1 TYR 3 HE1 TYR 3 7.078 -0.658 -8.157 24 HE2 TYR 3 HE2 TYR 3 9.995 -3.651 -7.297 25 HH TYR 3 HH TYR 3 9.206 -3.186 -9.373 26 H VAL 4 H VAL 4 6.932 -0.313 -1.302 27 HA VAL 4 HA VAL 4 8.908 0.581 0.544 28 HB VAL 4 HB VAL 4 5.893 0.688 0.684 29 HG11 VAL 4 1HG1 VAL 4 7.964 1.996 2.442 30 HG12 VAL 4 2HG1 VAL 4 6.247 2.404 2.436 31 HG13 VAL 4 3HG1 VAL 4 6.770 0.792 2.925 32 HG21 VAL 4 1HG2 VAL 4 7.993 2.665 -0.176 33 HG22 VAL 4 2HG2 VAL 4 6.669 2.004 -1.134 34 HG23 VAL 4 3HG2 VAL 4 6.329 3.121 0.188 35 H TYR 5 H TYR 5 6.604 -2.054 0.496 36 HA TYR 5 HA TYR 5 6.725 -2.714 3.242 37 HB2 TYR 5 2HB TYR 5 5.603 -3.864 0.811 38 HB3 TYR 5 3HB TYR 5 6.213 -5.096 1.909 39 HD1 TYR 5 HD1 TYR 5 4.574 -1.825 2.633 40 HD2 TYR 5 HD2 TYR 5 4.346 -6.065 2.894 41 HE1 TYR 5 HE1 TYR 5 2.528 -1.626 3.984 42 HE2 TYR 5 HE2 TYR 5 2.299 -5.878 4.245 43 HH TYR 5 HH TYR 5 0.939 -4.485 5.343 44 H SER 6 H SER 6 9.000 -3.015 0.759 45 HA SER 6 HA SER 6 10.321 -5.393 1.443 46 HB2 SER 6 2HB SER 6 10.639 -3.718 -0.577 47 HB3 SER 6 3HB SER 6 11.884 -3.035 0.469 48 HG SER 6 HG SER 6 12.756 -5.196 0.602 49 H ARG 7 H ARG 7 10.124 -2.396 3.068 50 HA ARG 7 HA ARG 7 12.548 -2.191 4.384 51 HB2 ARG 7 2HB ARG 7 11.222 -1.094 6.225 52 HB3 ARG 7 3HB ARG 7 10.955 -0.435 4.616 53 HG2 ARG 7 2HG ARG 7 8.783 -0.727 4.895 54 HG3 ARG 7 3HG ARG 7 9.049 -2.470 4.967 55 HD2 ARG 7 2HD ARG 7 8.888 -2.538 7.227 56 HD3 ARG 7 3HD ARG 7 9.620 -0.947 7.433 57 HE ARG 7 HE ARG 7 7.525 -0.052 7.485 58 HH11 ARG 7 1HH1 ARG 7 7.358 -3.185 5.977 59 HH12 ARG 7 2HH1 ARG 7 5.629 -3.185 5.868 60 HH21 ARG 7 1HH2 ARG 7 5.248 -0.040 7.347 61 HH22 ARG 7 2HH2 ARG 7 4.430 -1.396 6.647 62 H VAL 8 H VAL 8 9.943 -4.440 4.884 63 HA VAL 8 HA VAL 8 10.692 -5.312 7.483 64 HB VAL 8 HB VAL 8 9.086 -6.705 5.337 65 HG11 VAL 8 1HG1 VAL 8 9.999 -8.364 6.830 66 HG12 VAL 8 2HG1 VAL 8 9.489 -7.430 8.237 67 HG13 VAL 8 3HG1 VAL 8 8.282 -8.155 7.174 68 HG21 VAL 8 1HG2 VAL 8 7.504 -5.252 5.915 69 HG22 VAL 8 2HG2 VAL 8 7.474 -6.010 7.508 70 HG23 VAL 8 3HG2 VAL 8 8.497 -4.603 7.220 71 H LYS 9 H LYS 9 10.815 -7.246 4.496 72 HA LYS 9 HA LYS 9 13.483 -8.193 5.293 73 HB2 LYS 9 2HB LYS 9 12.842 -10.475 4.560 74 HB3 LYS 9 3HB LYS 9 11.932 -9.922 5.960 75 HG2 LYS 9 2HG LYS 9 10.222 -10.781 4.755 76 HG3 LYS 9 3HG LYS 9 10.233 -9.154 4.070 77 HD2 LYS 9 2HD LYS 9 11.144 -9.849 2.085 78 HD3 LYS 9 3HD LYS 9 11.963 -11.229 2.820 79 HE2 LYS 9 2HE LYS 9 10.200 -12.589 2.515 80 HE3 LYS 9 3HE LYS 9 9.037 -11.340 2.956 81 HZ1 LYS 9 1HZ LYS 9 9.530 -10.357 0.694 82 HZ2 LYS 9 2HZ LYS 9 8.643 -11.797 0.711 83 HZ3 LYS 9 3HZ LYS 9 10.289 -11.822 0.319 Start of MODEL 7 1 H1 THR 1 H THR 1 2.153 -0.909 0.959 2 HA THR 1 HA THR 1 1.840 -1.793 -1.747 3 HB THR 1 HB THR 1 4.354 -0.427 -1.198 4 HG1 THR 1 HG1 THR 1 2.974 1.578 -0.711 5 HG21 THR 1 1HG2 THR 1 3.863 0.580 -3.149 6 HG22 THR 1 2HG2 THR 1 2.221 0.974 -2.641 7 HG23 THR 1 3HG2 THR 1 2.588 -0.631 -3.271 8 H VAL 2 H VAL 2 4.267 -2.094 -2.821 9 HA VAL 2 HA VAL 2 5.118 -4.671 -1.747 10 HB VAL 2 HB VAL 2 6.277 -3.543 -4.252 11 HG11 VAL 2 1HG1 VAL 2 6.635 -5.729 -4.818 12 HG12 VAL 2 2HG1 VAL 2 6.679 -5.863 -3.059 13 HG13 VAL 2 3HG1 VAL 2 5.217 -6.304 -3.942 14 HG21 VAL 2 1HG2 VAL 2 4.273 -4.527 -5.470 15 HG22 VAL 2 2HG2 VAL 2 3.434 -4.464 -3.920 16 HG23 VAL 2 3HG2 VAL 2 4.027 -2.979 -4.662 17 H TYR 3 H TYR 3 6.824 -1.890 -3.197 18 HA TYR 3 HA TYR 3 9.314 -2.535 -2.041 19 HB2 TYR 3 2HB TYR 3 8.273 0.072 -3.163 20 HB3 TYR 3 3HB TYR 3 9.949 -0.203 -2.703 21 HD1 TYR 3 HD1 TYR 3 7.595 -0.377 -5.337 22 HD2 TYR 3 HD2 TYR 3 11.128 -2.225 -3.853 23 HE1 TYR 3 HE1 TYR 3 8.051 -1.288 -7.575 24 HE2 TYR 3 HE2 TYR 3 11.595 -3.140 -6.087 25 HH TYR 3 HH TYR 3 9.411 -2.518 -8.821 26 H VAL 4 H VAL 4 6.609 -0.618 -0.941 27 HA VAL 4 HA VAL 4 7.961 0.723 1.169 28 HB VAL 4 HB VAL 4 5.024 0.130 0.790 29 HG11 VAL 4 1HG1 VAL 4 4.663 1.916 2.466 30 HG12 VAL 4 2HG1 VAL 4 5.452 0.487 3.137 31 HG13 VAL 4 3HG1 VAL 4 6.398 1.932 2.780 32 HG21 VAL 4 1HG2 VAL 4 5.835 2.891 0.580 33 HG22 VAL 4 2HG2 VAL 4 6.725 1.882 -0.561 34 HG23 VAL 4 3HG2 VAL 4 4.961 1.886 -0.577 35 H TYR 5 H TYR 5 6.355 -2.373 0.879 36 HA TYR 5 HA TYR 5 6.581 -2.867 3.745 37 HB2 TYR 5 2HB TYR 5 5.224 -4.267 1.468 38 HB3 TYR 5 3HB TYR 5 5.554 -5.142 2.959 39 HD1 TYR 5 HD1 TYR 5 3.674 -5.343 4.269 40 HD2 TYR 5 HD2 TYR 5 4.307 -1.705 2.156 41 HE1 TYR 5 HE1 TYR 5 1.629 -4.412 5.271 42 HE2 TYR 5 HE2 TYR 5 2.265 -0.764 3.153 43 HH TYR 5 HH TYR 5 0.910 -1.493 5.607 44 H SER 6 H SER 6 8.369 -3.343 0.915 45 HA SER 6 HA SER 6 9.607 -5.813 1.395 46 HB2 SER 6 2HB SER 6 9.859 -3.703 -0.480 47 HB3 SER 6 3HB SER 6 11.467 -3.997 0.180 48 HG SER 6 HG SER 6 11.439 -6.015 -0.594 49 H ARG 7 H ARG 7 9.918 -2.807 2.987 50 HA ARG 7 HA ARG 7 12.538 -2.792 3.875 51 HB2 ARG 7 2HB ARG 7 11.631 -1.591 5.895 52 HB3 ARG 7 3HB ARG 7 11.148 -0.915 4.345 53 HG2 ARG 7 2HG ARG 7 9.038 -1.034 4.992 54 HG3 ARG 7 3HG ARG 7 9.177 -2.793 5.042 55 HD2 ARG 7 2HD ARG 7 8.520 -2.358 7.196 56 HD3 ARG 7 3HD ARG 7 10.274 -2.328 7.376 57 HE ARG 7 HE ARG 7 10.143 -0.103 7.884 58 HH11 ARG 7 1HH1 ARG 7 7.167 -1.098 6.377 59 HH12 ARG 7 2HH1 ARG 7 6.362 0.407 6.673 60 HH21 ARG 7 1HH2 ARG 7 9.094 1.883 8.280 61 HH22 ARG 7 2HH2 ARG 7 7.459 2.103 7.755 62 H VAL 8 H VAL 8 9.887 -4.827 4.839 63 HA VAL 8 HA VAL 8 10.983 -5.751 7.290 64 HB VAL 8 HB VAL 8 8.961 -7.033 5.448 65 HG11 VAL 8 1HG1 VAL 8 8.358 -8.410 7.413 66 HG12 VAL 8 2HG1 VAL 8 9.984 -8.743 6.812 67 HG13 VAL 8 3HG1 VAL 8 9.762 -7.764 8.262 68 HG21 VAL 8 1HG2 VAL 8 7.473 -6.287 7.457 69 HG22 VAL 8 2HG2 VAL 8 8.787 -5.150 7.761 70 HG23 VAL 8 3HG2 VAL 8 7.932 -5.117 6.219 71 H LYS 9 H LYS 9 10.489 -7.695 4.349 72 HA LYS 9 HA LYS 9 12.534 -9.543 5.080 73 HB2 LYS 9 2HB LYS 9 12.072 -10.606 2.937 74 HB3 LYS 9 3HB LYS 9 10.568 -10.208 3.758 75 HG2 LYS 9 2HG LYS 9 11.083 -7.980 2.203 76 HG3 LYS 9 3HG LYS 9 11.564 -9.338 1.183 77 HD2 LYS 9 2HD LYS 9 9.243 -10.295 2.125 78 HD3 LYS 9 3HD LYS 9 8.891 -8.567 2.194 79 HE2 LYS 9 2HE LYS 9 8.182 -9.150 0.065 80 HE3 LYS 9 3HE LYS 9 9.805 -8.526 -0.224 81 HZ1 LYS 9 1HZ LYS 9 9.594 -11.380 0.300 82 HZ2 LYS 9 2HZ LYS 9 10.580 -10.550 -0.796 83 HZ3 LYS 9 3HZ LYS 9 8.958 -10.846 -1.174 Start of MODEL 8 1 H1 THR 1 H THR 1 2.017 -1.905 1.355 2 HA THR 1 HA THR 1 1.349 -1.977 -1.472 3 HB THR 1 HB THR 1 3.780 -0.521 -0.792 4 HG1 THR 1 HG1 THR 1 1.352 0.141 0.550 5 HG21 THR 1 1HG2 THR 1 2.879 1.097 -2.177 6 HG22 THR 1 2HG2 THR 1 1.219 0.710 -1.724 7 HG23 THR 1 3HG2 THR 1 2.113 -0.364 -2.799 8 H VAL 2 H VAL 2 3.635 -1.743 -2.806 9 HA VAL 2 HA VAL 2 4.842 -4.383 -2.492 10 HB VAL 2 HB VAL 2 5.569 -2.571 -4.746 11 HG11 VAL 2 1HG1 VAL 2 5.987 -4.523 -5.897 12 HG12 VAL 2 2HG1 VAL 2 6.379 -5.002 -4.244 13 HG13 VAL 2 3HG1 VAL 2 4.827 -5.455 -4.950 14 HG21 VAL 2 1HG2 VAL 2 3.245 -2.197 -4.777 15 HG22 VAL 2 2HG2 VAL 2 3.525 -3.472 -5.962 16 HG23 VAL 2 3HG2 VAL 2 2.887 -3.875 -4.368 17 H TYR 3 H TYR 3 6.092 -1.158 -3.377 18 HA TYR 3 HA TYR 3 8.761 -1.713 -2.751 19 HB2 TYR 3 2HB TYR 3 7.392 0.417 -3.845 20 HB3 TYR 3 3HB TYR 3 7.994 1.079 -2.330 21 HD1 TYR 3 HD1 TYR 3 10.566 0.360 -1.863 22 HD2 TYR 3 HD2 TYR 3 8.735 0.719 -5.687 23 HE1 TYR 3 HE1 TYR 3 12.778 0.697 -2.884 24 HE2 TYR 3 HE2 TYR 3 10.942 1.055 -6.719 25 HH TYR 3 HH TYR 3 13.746 0.280 -5.358 26 H VAL 4 H VAL 4 6.094 -0.657 -0.758 27 HA VAL 4 HA VAL 4 7.631 0.172 1.484 28 HB VAL 4 HB VAL 4 4.754 -0.733 1.309 29 HG11 VAL 4 1HG1 VAL 4 5.535 -1.039 3.571 30 HG12 VAL 4 2HG1 VAL 4 6.241 0.578 3.582 31 HG13 VAL 4 3HG1 VAL 4 4.490 0.379 3.503 32 HG21 VAL 4 1HG2 VAL 4 4.352 1.743 1.579 33 HG22 VAL 4 2HG2 VAL 4 6.074 1.973 1.276 34 HG23 VAL 4 3HG2 VAL 4 5.050 1.247 0.037 35 H TYR 5 H TYR 5 6.354 -2.903 0.408 36 HA TYR 5 HA TYR 5 7.090 -4.206 2.909 37 HB2 TYR 5 2HB TYR 5 5.330 -4.818 0.660 38 HB3 TYR 5 3HB TYR 5 6.307 -6.196 1.153 39 HD1 TYR 5 HD1 TYR 5 6.471 -6.141 3.969 40 HD2 TYR 5 HD2 TYR 5 3.201 -4.946 1.523 41 HE1 TYR 5 HE1 TYR 5 4.926 -6.572 5.833 42 HE2 TYR 5 HE2 TYR 5 1.647 -5.373 3.381 43 HH TYR 5 HH TYR 5 2.541 -7.082 6.168 44 H SER 6 H SER 6 8.465 -3.491 -0.097 45 HA SER 6 HA SER 6 10.100 -5.778 -0.465 46 HB2 SER 6 2HB SER 6 9.885 -3.079 -1.630 47 HB3 SER 6 3HB SER 6 11.506 -3.773 -1.677 48 HG SER 6 HG SER 6 9.948 -4.245 -3.477 49 H ARG 7 H ARG 7 10.242 -3.147 1.708 50 HA ARG 7 HA ARG 7 13.099 -3.461 2.203 51 HB2 ARG 7 2HB ARG 7 12.724 -1.610 3.860 52 HB3 ARG 7 3HB ARG 7 12.350 -1.193 2.193 53 HG2 ARG 7 2HG ARG 7 10.050 -1.211 2.578 54 HG3 ARG 7 3HG ARG 7 10.218 -2.126 4.078 55 HD2 ARG 7 2HD ARG 7 11.469 0.576 3.834 56 HD3 ARG 7 3HD ARG 7 9.740 0.439 4.150 57 HE ARG 7 HE ARG 7 11.256 -1.177 5.933 58 HH11 ARG 7 1HH1 ARG 7 10.275 2.103 5.301 59 HH12 ARG 7 2HH1 ARG 7 10.396 2.596 6.958 60 HH21 ARG 7 1HH2 ARG 7 11.419 -0.540 8.117 61 HH22 ARG 7 2HH2 ARG 7 11.047 1.093 8.559 62 H VAL 8 H VAL 8 10.016 -4.310 3.571 63 HA VAL 8 HA VAL 8 10.935 -4.955 6.183 64 HB VAL 8 HB VAL 8 8.486 -5.886 4.680 65 HG11 VAL 8 1HG1 VAL 8 9.005 -7.501 6.392 66 HG12 VAL 8 2HG1 VAL 8 9.222 -6.220 7.586 67 HG13 VAL 8 3HG1 VAL 8 7.624 -6.534 6.909 68 HG21 VAL 8 1HG2 VAL 8 8.165 -3.626 4.996 69 HG22 VAL 8 2HG2 VAL 8 7.461 -4.285 6.473 70 HG23 VAL 8 3HG2 VAL 8 9.084 -3.596 6.501 71 H LYS 9 H LYS 9 9.648 -7.239 3.775 72 HA LYS 9 HA LYS 9 10.942 -9.472 4.920 73 HB2 LYS 9 2HB LYS 9 9.769 -9.099 2.159 74 HB3 LYS 9 3HB LYS 9 10.269 -10.645 2.832 75 HG2 LYS 9 2HG LYS 9 8.207 -8.904 4.148 76 HG3 LYS 9 3HG LYS 9 7.801 -10.110 2.925 77 HD2 LYS 9 2HD LYS 9 9.488 -11.381 4.793 78 HD3 LYS 9 3HD LYS 9 8.296 -10.469 5.722 79 HE2 LYS 9 2HE LYS 9 7.249 -11.984 3.421 80 HE3 LYS 9 3HE LYS 9 7.879 -12.953 4.752 81 HZ1 LYS 9 1HZ LYS 9 6.419 -11.693 6.256 82 HZ2 LYS 9 2HZ LYS 9 5.552 -12.549 5.083 83 HZ3 LYS 9 3HZ LYS 9 5.762 -10.878 4.927 Start of MODEL 9 1 H1 THR 1 H THR 1 2.842 2.112 -0.099 2 HA THR 1 HA THR 1 2.406 0.655 -2.317 3 HB THR 1 HB THR 1 5.259 1.400 -1.854 4 HG1 THR 1 HG1 THR 1 3.183 3.325 -2.189 5 HG21 THR 1 1HG2 THR 1 3.456 1.029 -4.074 6 HG22 THR 1 2HG2 THR 1 5.211 1.202 -4.076 7 HG23 THR 1 3HG2 THR 1 4.183 2.634 -4.126 8 H VAL 2 H VAL 2 3.619 -0.992 -3.471 9 HA VAL 2 HA VAL 2 3.863 -3.385 -2.148 10 HB VAL 2 HB VAL 2 5.374 -4.088 -4.076 11 HG11 VAL 2 1HG1 VAL 2 3.500 -4.606 -5.177 12 HG12 VAL 2 2HG1 VAL 2 2.654 -3.716 -3.910 13 HG13 VAL 2 3HG1 VAL 2 3.075 -2.912 -5.423 14 HG21 VAL 2 1HG2 VAL 2 4.849 -1.227 -4.857 15 HG22 VAL 2 2HG2 VAL 2 6.411 -2.016 -4.637 16 HG23 VAL 2 3HG2 VAL 2 5.378 -2.467 -5.993 17 H TYR 3 H TYR 3 6.470 -1.099 -2.932 18 HA TYR 3 HA TYR 3 8.602 -2.577 -1.909 19 HB2 TYR 3 2HB TYR 3 8.128 0.347 -2.354 20 HB3 TYR 3 3HB TYR 3 9.581 -0.177 -1.510 21 HD1 TYR 3 HD1 TYR 3 11.405 -1.144 -2.689 22 HD2 TYR 3 HD2 TYR 3 7.733 -0.393 -4.703 23 HE1 TYR 3 HE1 TYR 3 12.505 -1.579 -4.845 24 HE2 TYR 3 HE2 TYR 3 8.823 -0.828 -6.865 25 HH TYR 3 HH TYR 3 11.300 -0.683 -7.738 26 H VAL 4 H VAL 4 6.272 -0.502 -0.306 27 HA VAL 4 HA VAL 4 7.534 -0.172 2.159 28 HB VAL 4 HB VAL 4 4.560 -0.520 1.778 29 HG11 VAL 4 1HG1 VAL 4 4.807 -0.344 4.039 30 HG12 VAL 4 2HG1 VAL 4 6.308 0.576 3.917 31 HG13 VAL 4 3HG1 VAL 4 4.760 1.369 3.622 32 HG21 VAL 4 1HG2 VAL 4 4.582 1.992 1.509 33 HG22 VAL 4 2HG2 VAL 4 6.322 1.864 1.252 34 HG23 VAL 4 3HG2 VAL 4 5.206 1.069 0.142 35 H TYR 5 H TYR 5 5.839 -2.909 0.820 36 HA TYR 5 HA TYR 5 5.835 -4.307 3.378 37 HB2 TYR 5 2HB TYR 5 4.094 -4.349 1.255 38 HB3 TYR 5 3HB TYR 5 5.026 -5.819 0.995 39 HD1 TYR 5 HD1 TYR 5 4.002 -7.708 1.811 40 HD2 TYR 5 HD2 TYR 5 3.562 -4.063 3.961 41 HE1 TYR 5 HE1 TYR 5 2.638 -8.873 3.494 42 HE2 TYR 5 HE2 TYR 5 2.198 -5.218 5.651 43 HH TYR 5 HH TYR 5 0.697 -7.930 5.262 44 H SER 6 H SER 6 7.828 -3.935 0.671 45 HA SER 6 HA SER 6 9.092 -6.548 0.952 46 HB2 SER 6 2HB SER 6 9.057 -4.424 -1.090 47 HB3 SER 6 3HB SER 6 10.626 -5.197 -0.864 48 HG SER 6 HG SER 6 9.856 -6.782 -1.987 49 H ARG 7 H ARG 7 9.452 -3.339 2.065 50 HA ARG 7 HA ARG 7 12.240 -3.209 2.421 51 HB2 ARG 7 2HB ARG 7 11.838 -1.349 3.832 52 HB3 ARG 7 3HB ARG 7 10.572 -1.310 2.613 53 HG2 ARG 7 2HG ARG 7 9.125 -2.536 4.316 54 HG3 ARG 7 3HG ARG 7 10.364 -2.102 5.496 55 HD2 ARG 7 2HD ARG 7 9.617 0.173 3.884 56 HD3 ARG 7 3HD ARG 7 8.205 -0.544 4.659 57 HE ARG 7 HE ARG 7 10.237 -0.303 6.568 58 HH11 ARG 7 1HH1 ARG 7 8.143 1.710 4.648 59 HH12 ARG 7 2HH1 ARG 7 8.115 3.004 5.800 60 HH21 ARG 7 1HH2 ARG 7 10.208 1.394 8.092 61 HH22 ARG 7 2HH2 ARG 7 9.291 2.824 7.758 62 H VAL 8 H VAL 8 9.708 -4.751 4.255 63 HA VAL 8 HA VAL 8 10.964 -5.094 6.714 64 HB VAL 8 HB VAL 8 9.185 -7.141 5.391 65 HG11 VAL 8 1HG1 VAL 8 8.471 -7.290 7.906 66 HG12 VAL 8 2HG1 VAL 8 9.912 -8.133 7.335 67 HG13 VAL 8 3HG1 VAL 8 10.067 -6.596 8.187 68 HG21 VAL 8 1HG2 VAL 8 7.871 -5.265 5.180 69 HG22 VAL 8 2HG2 VAL 8 7.417 -5.813 6.793 70 HG23 VAL 8 3HG2 VAL 8 8.563 -4.487 6.603 71 H LYS 9 H LYS 9 11.409 -6.785 3.686 72 HA LYS 9 HA LYS 9 13.852 -7.963 4.661 73 HB2 LYS 9 2HB LYS 9 13.283 -10.260 4.281 74 HB3 LYS 9 3HB LYS 9 12.080 -9.583 5.371 75 HG2 LYS 9 2HG LYS 9 10.961 -9.161 2.902 76 HG3 LYS 9 3HG LYS 9 11.768 -10.720 2.711 77 HD2 LYS 9 2HD LYS 9 10.638 -11.484 4.798 78 HD3 LYS 9 3HD LYS 9 9.739 -9.965 4.812 79 HE2 LYS 9 2HE LYS 9 9.684 -12.055 2.637 80 HE3 LYS 9 3HE LYS 9 8.413 -11.751 3.821 81 HZ1 LYS 9 1HZ LYS 9 8.768 -9.320 2.724 82 HZ2 LYS 9 2HZ LYS 9 7.584 -10.427 2.242 83 HZ3 LYS 9 3HZ LYS 9 9.044 -10.328 1.393 Start of MODEL 10 1 H1 THR 1 H THR 1 2.095 0.231 1.197 2 HA THR 1 HA THR 1 1.509 -0.331 -1.537 3 HB THR 1 HB THR 1 4.231 0.600 -1.022 4 HG1 THR 1 HG1 THR 1 3.463 2.641 -0.161 5 HG21 THR 1 1HG2 THR 1 2.473 0.800 -3.052 6 HG22 THR 1 2HG2 THR 1 3.805 1.930 -2.809 7 HG23 THR 1 3HG2 THR 1 2.184 2.343 -2.250 8 H VAL 2 H VAL 2 3.671 -0.921 -2.891 9 HA VAL 2 HA VAL 2 4.286 -3.652 -2.060 10 HB VAL 2 HB VAL 2 5.240 -2.538 -4.656 11 HG11 VAL 2 1HG1 VAL 2 5.690 -4.877 -3.861 12 HG12 VAL 2 2HG1 VAL 2 3.958 -5.184 -4.003 13 HG13 VAL 2 3HG1 VAL 2 4.899 -4.761 -5.433 14 HG21 VAL 2 1HG2 VAL 2 3.057 -1.659 -4.717 15 HG22 VAL 2 2HG2 VAL 2 2.971 -3.173 -5.617 16 HG23 VAL 2 3HG2 VAL 2 2.368 -3.096 -3.961 17 H TYR 3 H TYR 3 6.149 -1.038 -3.622 18 HA TYR 3 HA TYR 3 8.665 -2.060 -2.919 19 HB2 TYR 3 2HB TYR 3 7.612 0.425 -4.075 20 HB3 TYR 3 3HB TYR 3 9.107 0.638 -3.170 21 HD1 TYR 3 HD1 TYR 3 7.582 -1.384 -5.896 22 HD2 TYR 3 HD2 TYR 3 11.162 0.108 -4.148 23 HE1 TYR 3 HE1 TYR 3 8.861 -2.206 -7.829 24 HE2 TYR 3 HE2 TYR 3 12.451 -0.710 -6.076 25 HH TYR 3 HH TYR 3 12.261 -1.455 -8.236 26 H VAL 4 H VAL 4 6.442 0.040 -1.222 27 HA VAL 4 HA VAL 4 8.265 0.944 0.763 28 HB VAL 4 HB VAL 4 5.249 0.781 0.802 29 HG11 VAL 4 1HG1 VAL 4 7.145 2.147 2.708 30 HG12 VAL 4 2HG1 VAL 4 5.398 2.393 2.675 31 HG13 VAL 4 3HG1 VAL 4 6.059 0.807 3.073 32 HG21 VAL 4 1HG2 VAL 4 5.742 3.377 0.642 33 HG22 VAL 4 2HG2 VAL 4 7.226 2.802 -0.117 34 HG23 VAL 4 3HG2 VAL 4 5.660 2.360 -0.796 35 H TYR 5 H TYR 5 6.259 -1.891 0.411 36 HA TYR 5 HA TYR 5 6.618 -2.716 3.161 37 HB2 TYR 5 2HB TYR 5 4.524 -3.221 1.950 38 HB3 TYR 5 3HB TYR 5 5.430 -4.222 0.821 39 HD1 TYR 5 HD1 TYR 5 5.816 -6.483 1.287 40 HD2 TYR 5 HD2 TYR 5 4.542 -3.898 4.417 41 HE1 TYR 5 HE1 TYR 5 5.516 -8.428 2.762 42 HE2 TYR 5 HE2 TYR 5 4.240 -5.836 5.902 43 HH TYR 5 HH TYR 5 4.333 -9.069 4.745 44 H SER 6 H SER 6 8.360 -2.944 0.271 45 HA SER 6 HA SER 6 9.557 -5.478 0.526 46 HB2 SER 6 2HB SER 6 9.602 -3.750 -1.445 47 HB3 SER 6 3HB SER 6 11.051 -3.151 -0.638 48 HG SER 6 HG SER 6 10.810 -5.903 -1.083 49 H ARG 7 H ARG 7 9.966 -2.591 2.304 50 HA ARG 7 HA ARG 7 12.619 -2.683 3.098 51 HB2 ARG 7 2HB ARG 7 12.004 -1.323 4.938 52 HB3 ARG 7 3HB ARG 7 10.890 -0.910 3.642 53 HG2 ARG 7 2HG ARG 7 9.326 -2.642 4.747 54 HG3 ARG 7 3HG ARG 7 10.377 -2.448 6.152 55 HD2 ARG 7 2HD ARG 7 9.865 0.147 5.335 56 HD3 ARG 7 3HD ARG 7 8.327 -0.682 5.099 57 HE ARG 7 HE ARG 7 9.480 -1.254 7.646 58 HH11 ARG 7 1HH1 ARG 7 7.648 1.105 5.858 59 HH12 ARG 7 2HH1 ARG 7 6.880 1.766 7.263 60 HH21 ARG 7 1HH2 ARG 7 8.474 -0.394 9.503 61 HH22 ARG 7 2HH2 ARG 7 7.351 0.913 9.336 62 H VAL 8 H VAL 8 9.929 -4.675 4.072 63 HA VAL 8 HA VAL 8 11.123 -5.782 6.402 64 HB VAL 8 HB VAL 8 8.920 -6.852 4.634 65 HG11 VAL 8 1HG1 VAL 8 9.933 -8.690 5.822 66 HG12 VAL 8 2HG1 VAL 8 9.865 -7.792 7.339 67 HG13 VAL 8 3HG1 VAL 8 8.374 -8.312 6.554 68 HG21 VAL 8 1HG2 VAL 8 8.081 -4.915 5.587 69 HG22 VAL 8 2HG2 VAL 8 7.588 -6.149 6.747 70 HG23 VAL 8 3HG2 VAL 8 8.990 -5.133 7.083 71 H LYS 9 H LYS 9 10.339 -7.531 3.402 72 HA LYS 9 HA LYS 9 13.024 -8.660 3.330 73 HB2 LYS 9 2HB LYS 9 12.291 -10.946 3.339 74 HB3 LYS 9 3HB LYS 9 11.650 -10.163 4.777 75 HG2 LYS 9 2HG LYS 9 9.628 -9.789 2.984 76 HG3 LYS 9 3HG LYS 9 10.256 -11.370 2.514 77 HD2 LYS 9 2HD LYS 9 9.731 -12.330 4.546 78 HD3 LYS 9 3HD LYS 9 9.768 -10.787 5.402 79 HE2 LYS 9 2HE LYS 9 7.724 -10.228 3.869 80 HE3 LYS 9 3HE LYS 9 7.604 -11.981 3.726 81 HZ1 LYS 9 1HZ LYS 9 6.543 -11.979 5.653 82 HZ2 LYS 9 2HZ LYS 9 6.799 -10.320 5.863 83 HZ3 LYS 9 3HZ LYS 9 7.949 -11.430 6.417 Start of MODEL 11 1 H1 THR 1 H THR 1 3.052 -0.079 -0.018 2 HA THR 1 HA THR 1 2.449 -2.678 0.209 3 HB THR 1 HB THR 1 2.235 -1.361 -2.495 4 HG1 THR 1 HG1 THR 1 0.420 -1.024 -0.329 5 HG21 THR 1 1HG2 THR 1 1.346 -3.809 -1.510 6 HG22 THR 1 2HG2 THR 1 0.800 -3.003 -2.981 7 HG23 THR 1 3HG2 THR 1 -0.078 -2.770 -1.470 8 H VAL 2 H VAL 2 4.286 -1.521 -2.627 9 HA VAL 2 HA VAL 2 5.288 -4.225 -3.059 10 HB VAL 2 HB VAL 2 6.105 -1.941 -4.794 11 HG11 VAL 2 1HG1 VAL 2 5.284 -4.043 -6.357 12 HG12 VAL 2 2HG1 VAL 2 6.942 -3.731 -5.842 13 HG13 VAL 2 3HG1 VAL 2 5.929 -4.849 -4.928 14 HG21 VAL 2 1HG2 VAL 2 3.822 -1.399 -4.612 15 HG22 VAL 2 2HG2 VAL 2 3.958 -2.333 -6.102 16 HG23 VAL 2 3HG2 VAL 2 3.333 -3.094 -4.638 17 H TYR 3 H TYR 3 6.785 -0.985 -3.131 18 HA TYR 3 HA TYR 3 9.310 -2.175 -2.273 19 HB2 TYR 3 2HB TYR 3 8.552 0.481 -3.461 20 HB3 TYR 3 3HB TYR 3 10.120 0.248 -2.695 21 HD1 TYR 3 HD1 TYR 3 8.868 0.586 -5.748 22 HD2 TYR 3 HD2 TYR 3 10.945 -2.387 -3.522 23 HE1 TYR 3 HE1 TYR 3 9.744 -0.362 -7.842 24 HE2 TYR 3 HE2 TYR 3 11.827 -3.342 -5.610 25 HH TYR 3 HH TYR 3 11.123 -1.855 -8.753 26 H VAL 4 H VAL 4 6.813 0.007 -1.171 27 HA VAL 4 HA VAL 4 8.229 1.061 1.058 28 HB VAL 4 HB VAL 4 5.260 0.865 0.539 29 HG11 VAL 4 1HG1 VAL 4 6.763 2.377 2.671 30 HG12 VAL 4 2HG1 VAL 4 5.054 2.600 2.294 31 HG13 VAL 4 3HG1 VAL 4 5.627 1.051 2.915 32 HG21 VAL 4 1HG2 VAL 4 5.468 3.254 -0.011 33 HG22 VAL 4 2HG2 VAL 4 7.214 3.142 0.213 34 HG23 VAL 4 3HG2 VAL 4 6.432 2.239 -1.084 35 H TYR 5 H TYR 5 6.305 -1.806 0.528 36 HA TYR 5 HA TYR 5 6.296 -2.457 3.371 37 HB2 TYR 5 2HB TYR 5 4.386 -2.857 1.561 38 HB3 TYR 5 3HB TYR 5 5.271 -4.359 1.317 39 HD1 TYR 5 HD1 TYR 5 5.394 -6.033 3.093 40 HD2 TYR 5 HD2 TYR 5 3.171 -2.443 3.609 41 HE1 TYR 5 HE1 TYR 5 4.260 -7.023 5.038 42 HE2 TYR 5 HE2 TYR 5 2.031 -3.422 5.556 43 HH TYR 5 HH TYR 5 1.524 -6.014 6.280 44 H SER 6 H SER 6 8.206 -2.989 0.631 45 HA SER 6 HA SER 6 9.177 -5.597 1.242 46 HB2 SER 6 2HB SER 6 9.809 -3.465 -0.695 47 HB3 SER 6 3HB SER 6 11.176 -4.483 -0.242 48 HG SER 6 HG SER 6 10.267 -6.156 -1.192 49 H ARG 7 H ARG 7 9.790 -2.487 2.511 50 HA ARG 7 HA ARG 7 12.437 -2.579 3.289 51 HB2 ARG 7 2HB ARG 7 11.911 -0.945 4.923 52 HB3 ARG 7 3HB ARG 7 10.786 -0.680 3.597 53 HG2 ARG 7 2HG ARG 7 9.150 -2.117 4.932 54 HG3 ARG 7 3HG ARG 7 10.255 -1.884 6.288 55 HD2 ARG 7 2HD ARG 7 9.406 0.516 4.761 56 HD3 ARG 7 3HD ARG 7 8.220 -0.244 5.821 57 HE ARG 7 HE ARG 7 10.494 1.296 6.611 58 HH11 ARG 7 1HH1 ARG 7 8.375 -1.298 7.561 59 HH12 ARG 7 2HH1 ARG 7 8.645 -1.072 9.257 60 HH21 ARG 7 1HH2 ARG 7 10.858 1.603 8.842 61 HH22 ARG 7 2HH2 ARG 7 10.057 0.578 9.985 62 H VAL 8 H VAL 8 9.697 -4.304 4.583 63 HA VAL 8 HA VAL 8 10.904 -5.110 7.029 64 HB VAL 8 HB VAL 8 8.616 -6.327 5.478 65 HG11 VAL 8 1HG1 VAL 8 9.583 -8.018 6.899 66 HG12 VAL 8 2HG1 VAL 8 9.592 -6.909 8.272 67 HG13 VAL 8 3HG1 VAL 8 8.061 -7.471 7.601 68 HG21 VAL 8 1HG2 VAL 8 7.875 -4.241 6.157 69 HG22 VAL 8 2HG2 VAL 8 7.370 -5.270 7.497 70 HG23 VAL 8 3HG2 VAL 8 8.819 -4.276 7.647 71 H LYS 9 H LYS 9 9.974 -7.237 4.330 72 HA LYS 9 HA LYS 9 11.663 -9.339 5.035 73 HB2 LYS 9 2HB LYS 9 10.459 -8.556 2.382 74 HB3 LYS 9 3HB LYS 9 11.381 -10.037 2.605 75 HG2 LYS 9 2HG LYS 9 9.786 -10.884 4.161 76 HG3 LYS 9 3HG LYS 9 8.933 -9.339 4.208 77 HD2 LYS 9 2HD LYS 9 7.589 -10.409 2.723 78 HD3 LYS 9 3HD LYS 9 8.797 -9.811 1.582 79 HE2 LYS 9 2HE LYS 9 9.899 -12.172 2.420 80 HE3 LYS 9 3HE LYS 9 8.177 -12.548 2.413 81 HZ1 LYS 9 1HZ LYS 9 9.704 -12.747 0.265 82 HZ2 LYS 9 2HZ LYS 9 9.210 -11.139 0.084 83 HZ3 LYS 9 3HZ LYS 9 8.056 -12.373 0.180 Start of MODEL 12 1 H1 THR 1 H THR 1 3.315 1.846 -1.547 2 HA THR 1 HA THR 1 1.962 0.038 -0.161 3 HB THR 1 HB THR 1 1.994 -0.120 -3.178 4 HG1 THR 1 HG1 THR 1 0.433 1.620 -1.551 5 HG21 THR 1 1HG2 THR 1 0.272 -1.509 -2.929 6 HG22 THR 1 2HG2 THR 1 -0.599 -0.274 -2.020 7 HG23 THR 1 3HG2 THR 1 0.446 -1.416 -1.177 8 H VAL 2 H VAL 2 3.690 -1.115 -3.060 9 HA VAL 2 HA VAL 2 3.853 -3.773 -1.869 10 HB VAL 2 HB VAL 2 4.972 -3.181 -4.569 11 HG11 VAL 2 1HG1 VAL 2 5.093 -5.402 -4.496 12 HG12 VAL 2 2HG1 VAL 2 4.111 -5.472 -3.032 13 HG13 VAL 2 3HG1 VAL 2 3.334 -5.427 -4.615 14 HG21 VAL 2 1HG2 VAL 2 2.626 -3.544 -5.480 15 HG22 VAL 2 2HG2 VAL 2 2.050 -3.150 -3.860 16 HG23 VAL 2 3HG2 VAL 2 2.969 -1.961 -4.783 17 H TYR 3 H TYR 3 6.126 -1.735 -3.719 18 HA TYR 3 HA TYR 3 8.437 -3.065 -2.858 19 HB2 TYR 3 2HB TYR 3 8.316 -1.563 -4.837 20 HB3 TYR 3 3HB TYR 3 8.206 -0.183 -3.750 21 HD1 TYR 3 HD1 TYR 3 10.378 -3.197 -3.490 22 HD2 TYR 3 HD2 TYR 3 10.178 1.005 -4.128 23 HE1 TYR 3 HE1 TYR 3 12.833 -3.074 -3.408 24 HE2 TYR 3 HE2 TYR 3 12.633 1.140 -4.049 25 HH TYR 3 HH TYR 3 14.580 -1.441 -2.965 26 H VAL 4 H VAL 4 6.588 -0.465 -1.435 27 HA VAL 4 HA VAL 4 8.546 0.373 0.448 28 HB VAL 4 HB VAL 4 5.540 0.669 0.485 29 HG11 VAL 4 1HG1 VAL 4 7.638 1.947 2.234 30 HG12 VAL 4 2HG1 VAL 4 5.946 2.443 2.163 31 HG13 VAL 4 3HG1 VAL 4 6.371 0.832 2.743 32 HG21 VAL 4 1HG2 VAL 4 7.687 2.050 -0.887 33 HG22 VAL 4 2HG2 VAL 4 5.943 2.162 -1.123 34 HG23 VAL 4 3HG2 VAL 4 6.730 3.143 0.113 35 H TYR 5 H TYR 5 6.113 -2.136 0.417 36 HA TYR 5 HA TYR 5 6.336 -2.686 3.239 37 HB2 TYR 5 2HB TYR 5 4.222 -3.079 2.046 38 HB3 TYR 5 3HB TYR 5 5.015 -4.280 1.031 39 HD1 TYR 5 HD1 TYR 5 4.533 -6.460 1.574 40 HD2 TYR 5 HD2 TYR 5 4.723 -3.580 4.699 41 HE1 TYR 5 HE1 TYR 5 3.987 -8.211 3.212 42 HE2 TYR 5 HE2 TYR 5 4.178 -5.323 6.347 43 HH TYR 5 HH TYR 5 4.133 -8.682 5.521 44 H SER 6 H SER 6 8.106 -3.470 0.467 45 HA SER 6 HA SER 6 9.003 -6.071 1.225 46 HB2 SER 6 2HB SER 6 10.192 -4.056 -0.696 47 HB3 SER 6 3HB SER 6 10.725 -5.729 -0.534 48 HG SER 6 HG SER 6 9.278 -5.768 -2.165 49 H ARG 7 H ARG 7 9.797 -2.899 2.211 50 HA ARG 7 HA ARG 7 12.493 -3.146 2.891 51 HB2 ARG 7 2HB ARG 7 12.198 -1.234 4.258 52 HB3 ARG 7 3HB ARG 7 11.072 -1.047 2.920 53 HG2 ARG 7 2HG ARG 7 9.660 -0.511 4.593 54 HG3 ARG 7 3HG ARG 7 9.455 -2.263 4.662 55 HD2 ARG 7 2HD ARG 7 10.735 -2.472 6.567 56 HD3 ARG 7 3HD ARG 7 11.627 -0.983 6.255 57 HE ARG 7 HE ARG 7 9.176 -1.252 7.709 58 HH11 ARG 7 1HH1 ARG 7 11.086 0.902 5.751 59 HH12 ARG 7 2HH1 ARG 7 10.392 2.340 6.424 60 HH21 ARG 7 1HH2 ARG 7 8.254 0.633 8.602 61 HH22 ARG 7 2HH2 ARG 7 8.782 2.185 8.047 62 H VAL 8 H VAL 8 9.617 -4.330 4.467 63 HA VAL 8 HA VAL 8 10.787 -4.882 6.997 64 HB VAL 8 HB VAL 8 8.354 -6.076 5.665 65 HG11 VAL 8 1HG1 VAL 8 9.322 -6.313 8.511 66 HG12 VAL 8 2HG1 VAL 8 7.727 -6.811 7.943 67 HG13 VAL 8 3HG1 VAL 8 9.173 -7.616 7.333 68 HG21 VAL 8 1HG2 VAL 8 8.798 -3.762 7.514 69 HG22 VAL 8 2HG2 VAL 8 7.880 -3.824 6.010 70 HG23 VAL 8 3HG2 VAL 8 7.244 -4.594 7.463 71 H LYS 9 H LYS 9 9.585 -7.288 4.665 72 HA LYS 9 HA LYS 9 11.249 -9.344 5.694 73 HB2 LYS 9 2HB LYS 9 10.384 -10.710 3.907 74 HB3 LYS 9 3HB LYS 9 9.070 -9.736 4.555 75 HG2 LYS 9 2HG LYS 9 9.438 -8.138 2.666 76 HG3 LYS 9 3HG LYS 9 10.572 -9.306 1.984 77 HD2 LYS 9 2HD LYS 9 7.889 -10.312 2.744 78 HD3 LYS 9 3HD LYS 9 7.981 -9.254 1.334 79 HE2 LYS 9 2HE LYS 9 10.031 -11.350 1.423 80 HE3 LYS 9 3HE LYS 9 8.378 -11.952 1.301 81 HZ1 LYS 9 1HZ LYS 9 8.686 -9.807 -0.478 82 HZ2 LYS 9 2HZ LYS 9 8.375 -11.431 -0.835 83 HZ3 LYS 9 3HZ LYS 9 9.971 -10.880 -0.724 Start of MODEL 13 1 H1 THR 1 H THR 1 2.556 0.103 1.393 2 HA THR 1 HA THR 1 1.539 -0.140 -1.355 3 HB THR 1 HB THR 1 4.398 0.430 -1.046 4 HG1 THR 1 HG1 THR 1 3.636 2.750 -0.540 5 HG21 THR 1 1HG2 THR 1 2.590 2.326 -2.395 6 HG22 THR 1 2HG2 THR 1 2.561 0.677 -3.021 7 HG23 THR 1 3HG2 THR 1 4.078 1.574 -2.968 8 H VAL 2 H VAL 2 3.575 -1.110 -2.747 9 HA VAL 2 HA VAL 2 3.799 -3.849 -1.760 10 HB VAL 2 HB VAL 2 4.829 -3.047 -4.440 11 HG11 VAL 2 1HG1 VAL 2 4.922 -5.381 -3.473 12 HG12 VAL 2 2HG1 VAL 2 3.166 -5.421 -3.636 13 HG13 VAL 2 3HG1 VAL 2 4.182 -5.233 -5.066 14 HG21 VAL 2 1HG2 VAL 2 1.931 -3.119 -3.649 15 HG22 VAL 2 2HG2 VAL 2 2.802 -1.851 -4.512 16 HG23 VAL 2 3HG2 VAL 2 2.462 -3.387 -5.309 17 H TYR 3 H TYR 3 5.983 -1.642 -3.522 18 HA TYR 3 HA TYR 3 8.341 -2.985 -2.832 19 HB2 TYR 3 2HB TYR 3 7.638 -0.715 -4.346 20 HB3 TYR 3 3HB TYR 3 8.824 -0.164 -3.168 21 HD1 TYR 3 HD1 TYR 3 8.230 -2.515 -5.950 22 HD2 TYR 3 HD2 TYR 3 11.117 -0.802 -3.336 23 HE1 TYR 3 HE1 TYR 3 10.033 -3.439 -7.346 24 HE2 TYR 3 HE2 TYR 3 12.928 -1.720 -4.725 25 HH TYR 3 HH TYR 3 12.265 -3.893 -7.406 26 H VAL 4 H VAL 4 6.494 -0.539 -1.155 27 HA VAL 4 HA VAL 4 8.489 0.188 0.731 28 HB VAL 4 HB VAL 4 5.480 0.403 0.888 29 HG11 VAL 4 1HG1 VAL 4 7.626 1.519 2.683 30 HG12 VAL 4 2HG1 VAL 4 5.959 2.099 2.668 31 HG13 VAL 4 3HG1 VAL 4 6.310 0.431 3.124 32 HG21 VAL 4 1HG2 VAL 4 7.482 2.590 0.381 33 HG22 VAL 4 2HG2 VAL 4 6.725 1.671 -0.920 34 HG23 VAL 4 3HG2 VAL 4 5.732 2.639 0.168 35 H TYR 5 H TYR 5 6.152 -2.394 0.551 36 HA TYR 5 HA TYR 5 6.389 -3.149 3.313 37 HB2 TYR 5 2HB TYR 5 4.841 -3.999 0.988 38 HB3 TYR 5 3HB TYR 5 5.380 -5.352 1.975 39 HD1 TYR 5 HD1 TYR 5 3.671 -6.096 3.330 40 HD2 TYR 5 HD2 TYR 5 4.164 -1.906 2.778 41 HE1 TYR 5 HE1 TYR 5 1.835 -5.678 4.912 42 HE2 TYR 5 HE2 TYR 5 2.330 -1.476 4.359 43 HH TYR 5 HH TYR 5 1.183 -2.586 6.195 44 H SER 6 H SER 6 8.277 -3.596 0.543 45 HA SER 6 HA SER 6 9.331 -6.173 1.019 46 HB2 SER 6 2HB SER 6 9.555 -4.977 -1.140 47 HB3 SER 6 3HB SER 6 10.654 -3.831 -0.373 48 HG SER 6 HG SER 6 12.187 -5.214 -0.696 49 H ARG 7 H ARG 7 9.808 -3.175 2.584 50 HA ARG 7 HA ARG 7 12.452 -3.536 3.526 51 HB2 ARG 7 2HB ARG 7 12.036 -1.707 4.972 52 HB3 ARG 7 3HB ARG 7 11.114 -1.382 3.511 53 HG2 ARG 7 2HG ARG 7 9.143 -2.452 4.758 54 HG3 ARG 7 3HG ARG 7 10.126 -2.224 6.206 55 HD2 ARG 7 2HD ARG 7 10.144 0.116 5.950 56 HD3 ARG 7 3HD ARG 7 9.563 0.018 4.288 57 HE ARG 7 HE ARG 7 7.422 -0.091 5.083 58 HH11 ARG 7 1HH1 ARG 7 9.635 -0.775 7.682 59 HH12 ARG 7 2HH1 ARG 7 8.407 -0.772 8.903 60 HH21 ARG 7 1HH2 ARG 7 5.795 -0.083 6.683 61 HH22 ARG 7 2HH2 ARG 7 6.223 -0.379 8.334 62 H VAL 8 H VAL 8 9.344 -4.692 4.604 63 HA VAL 8 HA VAL 8 10.127 -5.460 7.224 64 HB VAL 8 HB VAL 8 7.868 -6.460 5.486 65 HG11 VAL 8 1HG1 VAL 8 8.392 -8.142 7.134 66 HG12 VAL 8 2HG1 VAL 8 8.415 -6.928 8.414 67 HG13 VAL 8 3HG1 VAL 8 6.903 -7.318 7.595 68 HG21 VAL 8 1HG2 VAL 8 7.401 -4.231 5.919 69 HG22 VAL 8 2HG2 VAL 8 6.575 -5.058 7.240 70 HG23 VAL 8 3HG2 VAL 8 8.134 -4.282 7.522 71 H LYS 9 H LYS 9 9.189 -7.655 4.582 72 HA LYS 9 HA LYS 9 9.876 -9.763 4.058 73 HB2 LYS 9 2HB LYS 9 12.400 -8.256 4.582 74 HB3 LYS 9 3HB LYS 9 12.500 -9.994 4.328 75 HG2 LYS 9 2HG LYS 9 11.185 -8.083 2.410 76 HG3 LYS 9 3HG LYS 9 12.858 -8.633 2.281 77 HD2 LYS 9 2HD LYS 9 11.745 -11.011 2.435 78 HD3 LYS 9 3HD LYS 9 10.319 -10.141 1.862 79 HE2 LYS 9 2HE LYS 9 11.126 -10.399 -0.197 80 HE3 LYS 9 3HE LYS 9 12.373 -9.232 0.237 81 HZ1 LYS 9 1HZ LYS 9 12.686 -12.115 0.806 82 HZ2 LYS 9 2HZ LYS 9 13.882 -10.922 0.729 83 HZ3 LYS 9 3HZ LYS 9 13.128 -11.456 -0.688 Start of MODEL 14 1 H1 THR 1 H THR 1 3.545 1.795 -0.979 2 HA THR 1 HA THR 1 2.103 -0.124 0.462 3 HB THR 1 HB THR 1 2.026 0.352 -2.524 4 HG1 THR 1 HG1 THR 1 1.508 2.275 -1.606 5 HG21 THR 1 1HG2 THR 1 0.863 -1.661 -2.070 6 HG22 THR 1 2HG2 THR 1 -0.374 -0.410 -2.192 7 HG23 THR 1 3HG2 THR 1 0.133 -0.996 -0.609 8 H VAL 2 H VAL 2 3.637 -0.736 -2.696 9 HA VAL 2 HA VAL 2 3.958 -3.540 -1.961 10 HB VAL 2 HB VAL 2 4.834 -2.492 -4.611 11 HG11 VAL 2 1HG1 VAL 2 3.142 -4.902 -4.188 12 HG12 VAL 2 2HG1 VAL 2 4.446 -4.624 -5.344 13 HG13 VAL 2 3HG1 VAL 2 4.821 -4.950 -3.651 14 HG21 VAL 2 1HG2 VAL 2 2.795 -1.323 -4.465 15 HG22 VAL 2 2HG2 VAL 2 2.427 -2.785 -5.380 16 HG23 VAL 2 3HG2 VAL 2 1.982 -2.675 -3.677 17 H TYR 3 H TYR 3 6.025 -1.159 -3.635 18 HA TYR 3 HA TYR 3 8.428 -2.525 -3.196 19 HB2 TYR 3 2HB TYR 3 7.646 -0.205 -4.524 20 HB3 TYR 3 3HB TYR 3 8.781 0.359 -3.303 21 HD1 TYR 3 HD1 TYR 3 8.516 -2.479 -5.732 22 HD2 TYR 3 HD2 TYR 3 10.976 0.512 -3.970 23 HE1 TYR 3 HE1 TYR 3 10.390 -3.191 -7.156 24 HE2 TYR 3 HE2 TYR 3 12.858 -0.191 -5.390 25 HH TYR 3 HH TYR 3 13.324 -1.366 -7.380 26 H VAL 4 H VAL 4 6.638 -0.298 -1.196 27 HA VAL 4 HA VAL 4 8.726 0.310 0.633 28 HB VAL 4 HB VAL 4 5.727 0.425 0.978 29 HG11 VAL 4 1HG1 VAL 4 6.218 1.906 2.900 30 HG12 VAL 4 2HG1 VAL 4 6.758 0.245 3.151 31 HG13 VAL 4 3HG1 VAL 4 7.927 1.501 2.739 32 HG21 VAL 4 1HG2 VAL 4 6.423 1.942 -0.718 33 HG22 VAL 4 2HG2 VAL 4 6.152 2.892 0.743 34 HG23 VAL 4 3HG2 VAL 4 7.795 2.489 0.245 35 H TYR 5 H TYR 5 6.417 -2.296 0.360 36 HA TYR 5 HA TYR 5 6.688 -3.300 2.999 37 HB2 TYR 5 2HB TYR 5 5.405 -4.136 0.505 38 HB3 TYR 5 3HB TYR 5 6.008 -5.485 1.461 39 HD1 TYR 5 HD1 TYR 5 4.576 -2.246 2.612 40 HD2 TYR 5 HD2 TYR 5 4.095 -6.466 2.363 41 HE1 TYR 5 HE1 TYR 5 2.592 -2.099 4.060 42 HE2 TYR 5 HE2 TYR 5 2.109 -6.331 3.808 43 HH TYR 5 HH TYR 5 1.044 -3.238 5.182 44 H SER 6 H SER 6 8.774 -3.308 0.337 45 HA SER 6 HA SER 6 10.094 -5.790 0.768 46 HB2 SER 6 2HB SER 6 10.261 -4.644 -1.378 47 HB3 SER 6 3HB SER 6 11.052 -3.268 -0.609 48 HG SER 6 HG SER 6 12.163 -5.828 -0.324 49 H ARG 7 H ARG 7 10.170 -2.777 2.376 50 HA ARG 7 HA ARG 7 12.778 -2.649 3.335 51 HB2 ARG 7 2HB ARG 7 11.969 -1.173 5.003 52 HB3 ARG 7 3HB ARG 7 10.936 -0.927 3.601 53 HG2 ARG 7 2HG ARG 7 9.269 -2.453 4.650 54 HG3 ARG 7 3HG ARG 7 10.284 -2.479 6.094 55 HD2 ARG 7 2HD ARG 7 10.117 0.123 5.892 56 HD3 ARG 7 3HD ARG 7 8.683 -0.243 4.933 57 HE ARG 7 HE ARG 7 8.687 -1.642 7.415 58 HH11 ARG 7 1HH1 ARG 7 8.053 1.451 5.949 59 HH12 ARG 7 2HH1 ARG 7 6.920 1.941 7.164 60 HH21 ARG 7 1HH2 ARG 7 7.197 -1.008 9.022 61 HH22 ARG 7 2HH2 ARG 7 6.435 0.542 8.912 62 H VAL 8 H VAL 8 10.116 -4.687 4.292 63 HA VAL 8 HA VAL 8 11.187 -5.532 6.786 64 HB VAL 8 HB VAL 8 9.165 -6.853 4.974 65 HG11 VAL 8 1HG1 VAL 8 8.547 -8.169 6.981 66 HG12 VAL 8 2HG1 VAL 8 10.163 -8.539 6.376 67 HG13 VAL 8 3HG1 VAL 8 9.965 -7.521 7.803 68 HG21 VAL 8 1HG2 VAL 8 8.200 -4.868 5.707 69 HG22 VAL 8 2HG2 VAL 8 7.643 -6.044 6.897 70 HG23 VAL 8 3HG2 VAL 8 8.976 -4.959 7.288 71 H LYS 9 H LYS 9 10.697 -7.564 3.905 72 HA LYS 9 HA LYS 9 12.455 -9.578 4.615 73 HB2 LYS 9 2HB LYS 9 11.848 -8.653 1.801 74 HB3 LYS 9 3HB LYS 9 12.437 -10.242 2.271 75 HG2 LYS 9 2HG LYS 9 9.766 -9.056 2.999 76 HG3 LYS 9 3HG LYS 9 10.062 -10.302 1.784 77 HD2 LYS 9 2HD LYS 9 11.147 -11.603 3.751 78 HD3 LYS 9 3HD LYS 9 10.236 -10.484 4.769 79 HE2 LYS 9 2HE LYS 9 8.197 -11.157 3.398 80 HE3 LYS 9 3HE LYS 9 9.188 -12.475 2.775 81 HZ1 LYS 9 1HZ LYS 9 9.184 -13.544 4.762 82 HZ2 LYS 9 2HZ LYS 9 7.692 -12.760 4.901 83 HZ3 LYS 9 3HZ LYS 9 9.056 -12.125 5.675 Start of MODEL 15 1 H1 THR 1 H THR 1 2.448 0.064 1.728 2 HA THR 1 HA THR 1 1.494 -0.462 -0.847 3 HB THR 1 HB THR 1 4.369 0.039 -0.779 4 HG1 THR 1 HG1 THR 1 4.172 2.066 0.279 5 HG21 THR 1 1HG2 THR 1 2.187 1.913 -1.652 6 HG22 THR 1 2HG2 THR 1 2.639 0.506 -2.615 7 HG23 THR 1 3HG2 THR 1 3.828 1.763 -2.277 8 H VAL 2 H VAL 2 3.312 -1.324 -2.527 9 HA VAL 2 HA VAL 2 3.613 -4.141 -1.830 10 HB VAL 2 HB VAL 2 4.356 -3.092 -4.520 11 HG11 VAL 2 1HG1 VAL 2 4.524 -5.507 -3.801 12 HG12 VAL 2 2HG1 VAL 2 2.760 -5.526 -3.756 13 HG13 VAL 2 3HG1 VAL 2 3.601 -5.206 -5.273 14 HG21 VAL 2 1HG2 VAL 2 1.904 -3.337 -5.151 15 HG22 VAL 2 2HG2 VAL 2 1.559 -3.228 -3.425 16 HG23 VAL 2 3HG2 VAL 2 2.350 -1.887 -4.253 17 H TYR 3 H TYR 3 5.624 -1.787 -3.606 18 HA TYR 3 HA TYR 3 8.023 -3.208 -3.284 19 HB2 TYR 3 2HB TYR 3 7.871 -1.557 -5.012 20 HB3 TYR 3 3HB TYR 3 7.489 -0.290 -3.853 21 HD1 TYR 3 HD1 TYR 3 9.190 1.074 -3.049 22 HD2 TYR 3 HD2 TYR 3 10.194 -2.699 -4.741 23 HE1 TYR 3 HE1 TYR 3 11.578 1.638 -2.875 24 HE2 TYR 3 HE2 TYR 3 12.585 -2.146 -4.570 25 HH TYR 3 HH TYR 3 13.955 -0.400 -2.891 26 H VAL 4 H VAL 4 6.418 -0.841 -1.269 27 HA VAL 4 HA VAL 4 8.619 -0.294 0.444 28 HB VAL 4 HB VAL 4 5.651 0.009 0.913 29 HG11 VAL 4 1HG1 VAL 4 6.767 -0.161 3.045 30 HG12 VAL 4 2HG1 VAL 4 7.985 1.012 2.539 31 HG13 VAL 4 3HG1 VAL 4 6.310 1.518 2.760 32 HG21 VAL 4 1HG2 VAL 4 6.142 2.412 0.532 33 HG22 VAL 4 2HG2 VAL 4 7.790 1.970 0.086 34 HG23 VAL 4 3HG2 VAL 4 6.432 1.405 -0.887 35 H TYR 5 H TYR 5 6.144 -2.759 0.372 36 HA TYR 5 HA TYR 5 6.500 -3.693 3.030 37 HB2 TYR 5 2HB TYR 5 4.978 -4.471 0.673 38 HB3 TYR 5 3HB TYR 5 5.594 -5.866 1.552 39 HD1 TYR 5 HD1 TYR 5 3.723 -6.763 2.614 40 HD2 TYR 5 HD2 TYR 5 4.445 -2.578 2.871 41 HE1 TYR 5 HE1 TYR 5 1.889 -6.552 4.240 42 HE2 TYR 5 HE2 TYR 5 2.615 -2.356 4.498 43 HH TYR 5 HH TYR 5 0.878 -5.188 5.709 44 H SER 6 H SER 6 8.415 -3.930 0.252 45 HA SER 6 HA SER 6 9.564 -6.475 0.543 46 HB2 SER 6 2HB SER 6 9.800 -4.904 -1.436 47 HB3 SER 6 3HB SER 6 11.001 -4.026 -0.491 48 HG SER 6 HG SER 6 12.391 -5.605 -0.766 49 H ARG 7 H ARG 7 9.876 -3.644 2.427 50 HA ARG 7 HA ARG 7 12.473 -4.290 3.511 51 HB2 ARG 7 2HB ARG 7 12.259 -2.325 4.816 52 HB3 ARG 7 3HB ARG 7 11.545 -1.944 3.255 53 HG2 ARG 7 2HG ARG 7 9.323 -2.667 4.431 54 HG3 ARG 7 3HG ARG 7 10.233 -2.314 5.901 55 HD2 ARG 7 2HD ARG 7 10.400 -0.286 3.768 56 HD3 ARG 7 3HD ARG 7 8.816 -0.477 4.520 57 HE ARG 7 HE ARG 7 10.887 -0.277 6.464 58 HH11 ARG 7 1HH1 ARG 7 8.921 1.589 4.279 59 HH12 ARG 7 2HH1 ARG 7 9.026 3.042 5.218 60 HH21 ARG 7 1HH2 ARG 7 11.033 1.629 7.709 61 HH22 ARG 7 2HH2 ARG 7 10.228 3.063 7.168 62 H VAL 8 H VAL 8 9.125 -4.821 4.327 63 HA VAL 8 HA VAL 8 9.522 -5.539 7.048 64 HB VAL 8 HB VAL 8 7.284 -6.241 5.144 65 HG11 VAL 8 1HG1 VAL 8 7.348 -7.880 6.912 66 HG12 VAL 8 2HG1 VAL 8 7.478 -6.611 8.131 67 HG13 VAL 8 3HG1 VAL 8 5.997 -6.781 7.188 68 HG21 VAL 8 1HG2 VAL 8 7.193 -3.939 5.426 69 HG22 VAL 8 2HG2 VAL 8 6.110 -4.526 6.689 70 HG23 VAL 8 3HG2 VAL 8 7.749 -4.020 7.098 71 H LYS 9 H LYS 9 8.444 -7.705 4.436 72 HA LYS 9 HA LYS 9 8.824 -9.915 4.045 73 HB2 LYS 9 2HB LYS 9 11.511 -8.972 5.006 74 HB3 LYS 9 3HB LYS 9 11.249 -10.655 4.570 75 HG2 LYS 9 2HG LYS 9 10.725 -8.329 2.734 76 HG3 LYS 9 3HG LYS 9 12.216 -9.275 2.753 77 HD2 LYS 9 2HD LYS 9 9.779 -10.889 2.576 78 HD3 LYS 9 3HD LYS 9 10.025 -9.807 1.203 79 HE2 LYS 9 2HE LYS 9 12.061 -11.763 2.267 80 HE3 LYS 9 3HE LYS 9 11.035 -12.031 0.859 81 HZ1 LYS 9 1HZ LYS 9 12.054 -9.946 -0.071 82 HZ2 LYS 9 2HZ LYS 9 13.092 -11.276 0.047 83 HZ3 LYS 9 3HZ LYS 9 13.189 -10.025 1.181 Start of MODEL 16 1 H1 THR 1 H THR 1 2.739 -0.630 1.679 2 HA THR 1 HA THR 1 1.412 -1.190 -0.871 3 HB THR 1 HB THR 1 4.152 -0.159 -0.999 4 HG1 THR 1 HG1 THR 1 3.733 1.807 -0.071 5 HG21 THR 1 1HG2 THR 1 2.644 1.644 -2.275 6 HG22 THR 1 2HG2 THR 1 1.508 0.295 -2.262 7 HG23 THR 1 3HG2 THR 1 3.098 0.103 -3.000 8 H VAL 2 H VAL 2 3.401 -1.814 -2.543 9 HA VAL 2 HA VAL 2 4.151 -4.490 -1.659 10 HB VAL 2 HB VAL 2 4.785 -3.496 -4.398 11 HG11 VAL 2 1HG1 VAL 2 4.461 -5.736 -5.027 12 HG12 VAL 2 2HG1 VAL 2 5.293 -5.817 -3.473 13 HG13 VAL 2 3HG1 VAL 2 3.554 -6.105 -3.561 14 HG21 VAL 2 1HG2 VAL 2 2.424 -4.175 -5.054 15 HG22 VAL 2 2HG2 VAL 2 2.019 -4.022 -3.344 16 HG23 VAL 2 3HG2 VAL 2 2.604 -2.620 -4.240 17 H TYR 3 H TYR 3 5.800 -1.948 -3.547 18 HA TYR 3 HA TYR 3 8.387 -2.925 -3.138 19 HB2 TYR 3 2HB TYR 3 7.637 -1.209 -4.848 20 HB3 TYR 3 3HB TYR 3 7.687 -0.018 -3.554 21 HD1 TYR 3 HD1 TYR 3 9.981 -2.794 -4.567 22 HD2 TYR 3 HD2 TYR 3 9.510 1.367 -3.816 23 HE1 TYR 3 HE1 TYR 3 12.381 -2.454 -4.982 24 HE2 TYR 3 HE2 TYR 3 11.909 1.719 -4.230 25 HH TYR 3 HH TYR 3 14.143 -0.662 -4.229 26 H VAL 4 H VAL 4 6.387 -0.805 -1.199 27 HA VAL 4 HA VAL 4 8.446 0.114 0.533 28 HB VAL 4 HB VAL 4 5.457 -0.028 0.943 29 HG11 VAL 4 1HG1 VAL 4 5.842 1.603 2.765 30 HG12 VAL 4 2HG1 VAL 4 6.537 0.016 3.099 31 HG13 VAL 4 3HG1 VAL 4 7.577 1.346 2.589 32 HG21 VAL 4 1HG2 VAL 4 7.314 1.952 -0.253 33 HG22 VAL 4 2HG2 VAL 4 5.657 1.540 -0.698 34 HG23 VAL 4 3HG2 VAL 4 5.965 2.570 0.701 35 H TYR 5 H TYR 5 6.348 -2.687 0.502 36 HA TYR 5 HA TYR 5 6.869 -3.492 3.187 37 HB2 TYR 5 2HB TYR 5 5.388 -4.523 0.886 38 HB3 TYR 5 3HB TYR 5 6.147 -5.792 1.840 39 HD1 TYR 5 HD1 TYR 5 4.385 -6.802 2.985 40 HD2 TYR 5 HD2 TYR 5 4.682 -2.558 2.966 41 HE1 TYR 5 HE1 TYR 5 2.552 -6.672 4.619 42 HE2 TYR 5 HE2 TYR 5 2.850 -2.416 4.601 43 HH TYR 5 HH TYR 5 0.823 -3.991 5.233 44 H SER 6 H SER 6 8.695 -3.587 0.342 45 HA SER 6 HA SER 6 10.141 -5.987 0.712 46 HB2 SER 6 2HB SER 6 10.070 -3.965 -1.203 47 HB3 SER 6 3HB SER 6 11.701 -3.870 -0.537 48 HG SER 6 HG SER 6 11.135 -5.436 -2.366 49 H ARG 7 H ARG 7 10.224 -2.984 2.337 50 HA ARG 7 HA ARG 7 12.934 -2.997 3.182 51 HB2 ARG 7 2HB ARG 7 12.336 -1.232 4.644 52 HB3 ARG 7 3HB ARG 7 11.339 -1.025 3.210 53 HG2 ARG 7 2HG ARG 7 9.514 -2.247 4.456 54 HG3 ARG 7 3HG ARG 7 10.518 -2.081 5.898 55 HD2 ARG 7 2HD ARG 7 10.556 0.394 5.457 56 HD3 ARG 7 3HD ARG 7 9.344 0.117 4.207 57 HE ARG 7 HE ARG 7 8.268 -1.047 6.408 58 HH11 ARG 7 1HH1 ARG 7 9.558 2.116 5.733 59 HH12 ARG 7 2HH1 ARG 7 8.522 2.922 6.863 60 HH21 ARG 7 1HH2 ARG 7 6.899 0.004 7.899 61 HH22 ARG 7 2HH2 ARG 7 7.011 1.720 8.096 62 H VAL 8 H VAL 8 10.025 -4.528 4.344 63 HA VAL 8 HA VAL 8 10.968 -5.190 6.940 64 HB VAL 8 HB VAL 8 8.810 -6.471 5.259 65 HG11 VAL 8 1HG1 VAL 8 9.584 -8.068 6.893 66 HG12 VAL 8 2HG1 VAL 8 9.486 -6.857 8.173 67 HG13 VAL 8 3HG1 VAL 8 8.015 -7.438 7.392 68 HG21 VAL 8 1HG2 VAL 8 7.413 -5.238 7.081 69 HG22 VAL 8 2HG2 VAL 8 8.864 -4.251 7.260 70 HG23 VAL 8 3HG2 VAL 8 8.044 -4.337 5.702 71 H LYS 9 H LYS 9 10.246 -7.488 4.319 72 HA LYS 9 HA LYS 9 12.254 -9.306 5.363 73 HB2 LYS 9 2HB LYS 9 11.369 -10.900 3.742 74 HB3 LYS 9 3HB LYS 9 10.064 -10.180 4.675 75 HG2 LYS 9 2HG LYS 9 9.956 -8.513 2.657 76 HG3 LYS 9 3HG LYS 9 10.760 -9.831 1.803 77 HD2 LYS 9 2HD LYS 9 8.610 -10.900 3.349 78 HD3 LYS 9 3HD LYS 9 8.009 -9.545 2.390 79 HE2 LYS 9 2HE LYS 9 9.474 -10.774 0.522 80 HE3 LYS 9 3HE LYS 9 9.079 -12.169 1.526 81 HZ1 LYS 9 1HZ LYS 9 6.736 -11.617 1.301 82 HZ2 LYS 9 2HZ LYS 9 7.443 -11.850 -0.217 83 HZ3 LYS 9 3HZ LYS 9 7.118 -10.284 0.333 Start of MODEL 17 1 H1 THR 1 H THR 1 0.351 -0.607 -0.053 2 HA THR 1 HA THR 1 1.973 -0.644 -1.859 3 HB THR 1 HB THR 1 2.538 1.154 -0.475 4 HG1 THR 1 HG1 THR 1 4.353 0.449 -1.687 5 HG21 THR 1 1HG2 THR 1 3.641 0.916 1.711 6 HG22 THR 1 2HG2 THR 1 3.565 -0.838 1.550 7 HG23 THR 1 3HG2 THR 1 2.078 0.101 1.676 8 H VAL 2 H VAL 2 3.735 -1.616 -2.823 9 HA VAL 2 HA VAL 2 4.493 -4.202 -1.693 10 HB VAL 2 HB VAL 2 5.441 -3.314 -4.376 11 HG11 VAL 2 1HG1 VAL 2 4.688 -5.877 -3.034 12 HG12 VAL 2 2HG1 VAL 2 4.715 -5.771 -4.795 13 HG13 VAL 2 3HG1 VAL 2 6.180 -5.446 -3.868 14 HG21 VAL 2 1HG2 VAL 2 2.594 -3.981 -3.681 15 HG22 VAL 2 2HG2 VAL 2 3.207 -2.587 -4.570 16 HG23 VAL 2 3HG2 VAL 2 3.244 -4.188 -5.307 17 H TYR 3 H TYR 3 6.217 -1.640 -3.485 18 HA TYR 3 HA TYR 3 8.790 -2.365 -2.818 19 HB2 TYR 3 2HB TYR 3 7.494 -0.055 -3.942 20 HB3 TYR 3 3HB TYR 3 8.768 0.457 -2.841 21 HD1 TYR 3 HD1 TYR 3 8.016 -0.760 -6.107 22 HD2 TYR 3 HD2 TYR 3 11.098 -0.570 -3.179 23 HE1 TYR 3 HE1 TYR 3 9.692 -1.208 -7.850 24 HE2 TYR 3 HE2 TYR 3 12.783 -1.016 -4.915 25 HH TYR 3 HH TYR 3 13.148 -1.455 -7.057 26 H VAL 4 H VAL 4 6.821 0.105 -1.158 27 HA VAL 4 HA VAL 4 8.599 0.620 0.929 28 HB VAL 4 HB VAL 4 5.592 0.726 1.160 29 HG11 VAL 4 1HG1 VAL 4 6.335 2.791 2.569 30 HG12 VAL 4 2HG1 VAL 4 6.411 1.173 3.270 31 HG13 VAL 4 3HG1 VAL 4 7.876 1.938 2.655 32 HG21 VAL 4 1HG2 VAL 4 7.342 2.166 -0.611 33 HG22 VAL 4 2HG2 VAL 4 5.584 2.225 -0.484 34 HG23 VAL 4 3HG2 VAL 4 6.577 3.270 0.532 35 H TYR 5 H TYR 5 6.513 -2.069 0.385 36 HA TYR 5 HA TYR 5 6.617 -2.950 3.155 37 HB2 TYR 5 2HB TYR 5 4.532 -3.284 1.944 38 HB3 TYR 5 3HB TYR 5 5.370 -4.209 0.703 39 HD1 TYR 5 HD1 TYR 5 4.866 -4.242 4.409 40 HD2 TYR 5 HD2 TYR 5 5.276 -6.510 0.832 41 HE1 TYR 5 HE1 TYR 5 4.454 -6.308 5.678 42 HE2 TYR 5 HE2 TYR 5 4.863 -8.582 2.092 43 HH TYR 5 HH TYR 5 3.981 -8.513 5.504 44 H SER 6 H SER 6 8.456 -3.259 0.333 45 HA SER 6 HA SER 6 9.438 -5.895 0.628 46 HB2 SER 6 2HB SER 6 10.828 -3.526 -0.645 47 HB3 SER 6 3HB SER 6 11.187 -5.229 -0.926 48 HG SER 6 HG SER 6 8.567 -4.389 -1.353 49 H ARG 7 H ARG 7 10.034 -3.008 2.353 50 HA ARG 7 HA ARG 7 12.672 -3.684 3.267 51 HB2 ARG 7 2HB ARG 7 12.558 -1.723 4.591 52 HB3 ARG 7 3HB ARG 7 11.722 -1.340 3.092 53 HG2 ARG 7 2HG ARG 7 9.601 -2.070 4.435 54 HG3 ARG 7 3HG ARG 7 10.623 -1.724 5.832 55 HD2 ARG 7 2HD ARG 7 11.046 0.531 4.923 56 HD3 ARG 7 3HD ARG 7 9.955 0.174 3.584 57 HE ARG 7 HE ARG 7 8.174 0.528 4.982 58 HH11 ARG 7 1HH1 ARG 7 11.074 0.187 6.878 59 HH12 ARG 7 2HH1 ARG 7 10.315 0.656 8.363 60 HH21 ARG 7 1HH2 ARG 7 7.163 1.147 6.931 61 HH22 ARG 7 2HH2 ARG 7 8.090 1.201 8.392 62 H VAL 8 H VAL 8 9.401 -4.227 4.346 63 HA VAL 8 HA VAL 8 9.817 -4.829 7.030 64 HB VAL 8 HB VAL 8 7.863 -6.260 5.229 65 HG11 VAL 8 1HG1 VAL 8 7.698 -7.332 7.251 66 HG12 VAL 8 2HG1 VAL 8 8.153 -5.898 8.173 67 HG13 VAL 8 3HG1 VAL 8 6.536 -6.026 7.481 68 HG21 VAL 8 1HG2 VAL 8 7.421 -4.019 4.769 69 HG22 VAL 8 2HG2 VAL 8 6.302 -4.396 6.078 70 HG23 VAL 8 3HG2 VAL 8 7.787 -3.508 6.417 71 H LYS 9 H LYS 9 10.424 -6.735 4.160 72 HA LYS 9 HA LYS 9 10.972 -9.144 5.676 73 HB2 LYS 9 2HB LYS 9 10.835 -8.416 2.792 74 HB3 LYS 9 3HB LYS 9 11.830 -9.796 3.237 75 HG2 LYS 9 2HG LYS 9 10.058 -11.096 3.631 76 HG3 LYS 9 3HG LYS 9 9.181 -9.812 4.467 77 HD2 LYS 9 2HD LYS 9 8.100 -9.151 2.593 78 HD3 LYS 9 3HD LYS 9 9.488 -9.475 1.552 79 HE2 LYS 9 2HE LYS 9 8.542 -11.373 0.898 80 HE3 LYS 9 3HE LYS 9 8.578 -11.959 2.560 81 HZ1 LYS 9 1HZ LYS 9 6.368 -11.988 2.349 82 HZ2 LYS 9 2HZ LYS 9 6.363 -10.950 1.014 83 HZ3 LYS 9 3HZ LYS 9 6.450 -10.314 2.580 Start of MODEL 18 1 H1 THR 1 H THR 1 2.699 -0.245 -3.668 2 HA THR 1 HA THR 1 4.017 0.436 -1.200 3 HB THR 1 HB THR 1 2.298 -1.777 -0.787 4 HG1 THR 1 HG1 THR 1 0.369 -0.622 -1.756 5 HG21 THR 1 1HG2 THR 1 2.638 0.085 0.759 6 HG22 THR 1 2HG2 THR 1 0.925 -0.116 0.389 7 HG23 THR 1 3HG2 THR 1 1.846 1.181 -0.372 8 H VAL 2 H VAL 2 4.178 -2.122 -3.526 9 HA VAL 2 HA VAL 2 5.103 -4.274 -2.096 10 HB VAL 2 HB VAL 2 6.526 -4.793 -4.145 11 HG11 VAL 2 1HG1 VAL 2 4.211 -4.652 -5.580 12 HG12 VAL 2 2HG1 VAL 2 4.603 -5.918 -4.414 13 HG13 VAL 2 3HG1 VAL 2 3.617 -4.540 -3.923 14 HG21 VAL 2 1HG2 VAL 2 6.992 -2.604 -4.958 15 HG22 VAL 2 2HG2 VAL 2 5.954 -3.389 -6.147 16 HG23 VAL 2 3HG2 VAL 2 5.277 -2.200 -5.035 17 H TYR 3 H TYR 3 7.019 -1.548 -3.334 18 HA TYR 3 HA TYR 3 9.503 -2.473 -2.359 19 HB2 TYR 3 2HB TYR 3 8.768 0.420 -2.797 20 HB3 TYR 3 3HB TYR 3 10.360 -0.321 -2.918 21 HD1 TYR 3 HD1 TYR 3 10.858 -1.849 -4.833 22 HD2 TYR 3 HD2 TYR 3 7.283 0.450 -4.647 23 HE1 TYR 3 HE1 TYR 3 10.522 -2.187 -7.246 24 HE2 TYR 3 HE2 TYR 3 6.936 0.118 -7.059 25 HH TYR 3 HH TYR 3 7.615 -1.527 -8.808 26 H VAL 4 H VAL 4 6.920 -0.599 -0.927 27 HA VAL 4 HA VAL 4 8.387 0.316 1.335 28 HB VAL 4 HB VAL 4 5.412 0.012 0.913 29 HG11 VAL 4 1HG1 VAL 4 6.927 1.367 3.140 30 HG12 VAL 4 2HG1 VAL 4 5.195 1.541 2.850 31 HG13 VAL 4 3HG1 VAL 4 5.865 -0.033 3.280 32 HG21 VAL 4 1HG2 VAL 4 5.379 2.292 0.350 33 HG22 VAL 4 2HG2 VAL 4 7.013 2.555 0.958 34 HG23 VAL 4 3HG2 VAL 4 6.762 1.632 -0.524 35 H TYR 5 H TYR 5 6.729 -2.628 0.546 36 HA TYR 5 HA TYR 5 6.720 -3.547 3.308 37 HB2 TYR 5 2HB TYR 5 5.093 -4.071 1.128 38 HB3 TYR 5 3HB TYR 5 6.057 -5.536 1.277 39 HD1 TYR 5 HD1 TYR 5 3.393 -3.542 2.710 40 HD2 TYR 5 HD2 TYR 5 5.990 -6.843 3.393 41 HE1 TYR 5 HE1 TYR 5 1.931 -4.308 4.534 42 HE2 TYR 5 HE2 TYR 5 4.534 -7.619 5.217 43 HH TYR 5 HH TYR 5 1.674 -5.766 6.199 44 H SER 6 H SER 6 8.790 -3.582 0.634 45 HA SER 6 HA SER 6 10.040 -6.082 0.886 46 HB2 SER 6 2HB SER 6 10.622 -3.523 -0.435 47 HB3 SER 6 3HB SER 6 12.061 -4.432 0.026 48 HG SER 6 HG SER 6 11.675 -5.564 -1.693 49 H ARG 7 H ARG 7 10.116 -3.323 2.897 50 HA ARG 7 HA ARG 7 12.686 -3.826 4.080 51 HB2 ARG 7 2HB ARG 7 12.213 -2.011 5.527 52 HB3 ARG 7 3HB ARG 7 11.525 -1.575 3.969 53 HG2 ARG 7 2HG ARG 7 9.341 -2.587 4.947 54 HG3 ARG 7 3HG ARG 7 10.144 -2.341 6.499 55 HD2 ARG 7 2HD ARG 7 10.132 -0.091 4.558 56 HD3 ARG 7 3HD ARG 7 8.624 -0.475 5.387 57 HE ARG 7 HE ARG 7 10.810 -0.282 7.203 58 HH11 ARG 7 1HH1 ARG 7 8.547 1.601 5.345 59 HH12 ARG 7 2HH1 ARG 7 8.607 2.966 6.411 60 HH21 ARG 7 1HH2 ARG 7 10.897 1.507 8.614 61 HH22 ARG 7 2HH2 ARG 7 9.945 2.911 8.270 62 H VAL 8 H VAL 8 9.385 -4.768 4.691 63 HA VAL 8 HA VAL 8 9.543 -5.566 7.352 64 HB VAL 8 HB VAL 8 7.970 -7.004 5.215 65 HG11 VAL 8 1HG1 VAL 8 7.842 -6.852 8.194 66 HG12 VAL 8 2HG1 VAL 8 6.367 -7.131 7.268 67 HG13 VAL 8 3HG1 VAL 8 7.719 -8.256 7.135 68 HG21 VAL 8 1HG2 VAL 8 6.136 -5.390 5.936 69 HG22 VAL 8 2HG2 VAL 8 7.425 -4.412 6.637 70 HG23 VAL 8 3HG2 VAL 8 7.410 -4.740 4.904 71 H LYS 9 H LYS 9 10.680 -7.138 4.442 72 HA LYS 9 HA LYS 9 11.811 -9.287 6.110 73 HB2 LYS 9 2HB LYS 9 11.559 -10.822 4.218 74 HB3 LYS 9 3HB LYS 9 10.004 -10.175 4.722 75 HG2 LYS 9 2HG LYS 9 11.419 -8.731 2.563 76 HG3 LYS 9 3HG LYS 9 10.755 -10.319 2.173 77 HD2 LYS 9 2HD LYS 9 8.645 -9.295 3.444 78 HD3 LYS 9 3HD LYS 9 9.368 -7.791 2.867 79 HE2 LYS 9 2HE LYS 9 7.798 -8.536 1.225 80 HE3 LYS 9 3HE LYS 9 9.420 -8.778 0.578 81 HZ1 LYS 9 1HZ LYS 9 8.090 -10.986 1.990 82 HZ2 LYS 9 2HZ LYS 9 9.255 -11.044 0.765 83 HZ3 LYS 9 3HZ LYS 9 7.653 -10.649 0.390 Start of MODEL 19 1 H1 THR 1 H THR 1 2.076 0.605 -3.249 2 HA THR 1 HA THR 1 3.591 0.735 -0.889 3 HB THR 1 HB THR 1 1.542 -1.258 -0.628 4 HG1 THR 1 HG1 THR 1 0.501 1.145 -1.683 5 HG21 THR 1 1HG2 THR 1 2.245 1.395 0.444 6 HG22 THR 1 2HG2 THR 1 1.730 -0.068 1.284 7 HG23 THR 1 3HG2 THR 1 0.534 0.979 0.521 8 H VAL 2 H VAL 2 3.150 -1.816 -3.241 9 HA VAL 2 HA VAL 2 3.921 -4.065 -1.868 10 HB VAL 2 HB VAL 2 4.993 -4.811 -4.056 11 HG11 VAL 2 1HG1 VAL 2 2.296 -3.863 -4.763 12 HG12 VAL 2 2HG1 VAL 2 2.963 -5.497 -4.757 13 HG13 VAL 2 3HG1 VAL 2 2.418 -4.760 -3.249 14 HG21 VAL 2 1HG2 VAL 2 5.670 -2.724 -4.981 15 HG22 VAL 2 2HG2 VAL 2 4.392 -3.360 -6.016 16 HG23 VAL 2 3HG2 VAL 2 4.035 -2.072 -4.866 17 H TYR 3 H TYR 3 6.046 -1.665 -3.404 18 HA TYR 3 HA TYR 3 8.469 -2.937 -2.698 19 HB2 TYR 3 2HB TYR 3 7.890 -0.937 -4.370 20 HB3 TYR 3 3HB TYR 3 8.398 0.025 -2.987 21 HD1 TYR 3 HD1 TYR 3 9.570 -2.993 -4.866 22 HD2 TYR 3 HD2 TYR 3 10.612 0.649 -2.930 23 HE1 TYR 3 HE1 TYR 3 11.921 -3.336 -5.500 24 HE2 TYR 3 HE2 TYR 3 12.966 0.317 -3.559 25 HH TYR 3 HH TYR 3 14.470 -1.440 -4.198 26 H VAL 4 H VAL 4 6.375 -0.684 -1.037 27 HA VAL 4 HA VAL 4 8.214 0.063 0.999 28 HB VAL 4 HB VAL 4 5.194 0.133 0.964 29 HG11 VAL 4 1HG1 VAL 4 5.948 0.080 3.254 30 HG12 VAL 4 2HG1 VAL 4 7.140 1.340 2.928 31 HG13 VAL 4 3HG1 VAL 4 5.418 1.714 2.855 32 HG21 VAL 4 1HG2 VAL 4 7.329 2.143 0.313 33 HG22 VAL 4 2HG2 VAL 4 5.982 1.605 -0.690 34 HG23 VAL 4 3HG2 VAL 4 5.682 2.625 0.717 35 H TYR 5 H TYR 5 6.066 -2.635 0.544 36 HA TYR 5 HA TYR 5 6.248 -3.496 3.304 37 HB2 TYR 5 2HB TYR 5 4.742 -4.321 0.899 38 HB3 TYR 5 3HB TYR 5 5.162 -5.618 2.011 39 HD1 TYR 5 HD1 TYR 5 3.541 -6.151 3.551 40 HD2 TYR 5 HD2 TYR 5 3.865 -2.113 2.250 41 HE1 TYR 5 HE1 TYR 5 1.638 -5.542 4.986 42 HE2 TYR 5 HE2 TYR 5 1.964 -1.493 3.682 43 HH TYR 5 HH TYR 5 0.319 -2.255 4.990 44 H SER 6 H SER 6 8.094 -3.808 0.487 45 HA SER 6 HA SER 6 9.190 -6.410 1.056 46 HB2 SER 6 2HB SER 6 9.998 -4.246 -0.896 47 HB3 SER 6 3HB SER 6 10.808 -5.808 -0.777 48 HG SER 6 HG SER 6 9.316 -6.457 -2.099 49 H ARG 7 H ARG 7 9.778 -3.208 2.086 50 HA ARG 7 HA ARG 7 12.501 -3.154 2.567 51 HB2 ARG 7 2HB ARG 7 12.085 -1.428 4.136 52 HB3 ARG 7 3HB ARG 7 10.818 -1.292 2.924 53 HG2 ARG 7 2HG ARG 7 9.328 -2.586 4.467 54 HG3 ARG 7 3HG ARG 7 10.589 -2.439 5.693 55 HD2 ARG 7 2HD ARG 7 10.429 -0.040 5.643 56 HD3 ARG 7 3HD ARG 7 9.304 -0.104 4.288 57 HE ARG 7 HE ARG 7 8.221 -1.565 6.417 58 HH11 ARG 7 1HH1 ARG 7 8.995 1.720 5.564 59 HH12 ARG 7 2HH1 ARG 7 7.751 2.409 6.553 60 HH21 ARG 7 1HH2 ARG 7 6.579 -0.671 7.723 61 HH22 ARG 7 2HH2 ARG 7 6.377 1.048 7.782 62 H VAL 8 H VAL 8 9.982 -4.871 4.258 63 HA VAL 8 HA VAL 8 11.241 -5.419 6.678 64 HB VAL 8 HB VAL 8 9.478 -7.356 5.179 65 HG11 VAL 8 1HG1 VAL 8 8.787 -7.615 7.748 66 HG12 VAL 8 2HG1 VAL 8 10.083 -8.556 7.006 67 HG13 VAL 8 3HG1 VAL 8 10.467 -7.121 7.957 68 HG21 VAL 8 1HG2 VAL 8 8.890 -4.721 6.229 69 HG22 VAL 8 2HG2 VAL 8 7.898 -5.783 5.230 70 HG23 VAL 8 3HG2 VAL 8 7.897 -5.968 6.984 71 H LYS 9 H LYS 9 11.688 -6.846 3.514 72 HA LYS 9 HA LYS 9 14.014 -8.294 4.545 73 HB2 LYS 9 2HB LYS 9 13.429 -10.304 3.278 74 HB3 LYS 9 3HB LYS 9 12.194 -9.932 4.473 75 HG2 LYS 9 2HG LYS 9 11.723 -8.776 1.819 76 HG3 LYS 9 3HG LYS 9 11.700 -10.540 1.883 77 HD2 LYS 9 2HD LYS 9 10.202 -10.054 4.025 78 HD3 LYS 9 3HD LYS 9 9.874 -8.563 3.139 79 HE2 LYS 9 2HE LYS 9 8.216 -9.897 2.303 80 HE3 LYS 9 3HE LYS 9 9.496 -10.231 1.138 81 HZ1 LYS 9 1HZ LYS 9 8.147 -12.127 2.417 82 HZ2 LYS 9 2HZ LYS 9 9.442 -11.936 3.488 83 HZ3 LYS 9 3HZ LYS 9 9.735 -12.331 1.870 Start of MODEL 20 1 H1 THR 1 H THR 1 3.093 1.593 -0.012 2 HA THR 1 HA THR 1 2.067 0.203 -2.307 3 HB THR 1 HB THR 1 4.894 0.724 -2.500 4 HG1 THR 1 HG1 THR 1 3.321 2.992 -1.802 5 HG21 THR 1 1HG2 THR 1 2.701 0.807 -4.125 6 HG22 THR 1 2HG2 THR 1 4.282 1.474 -4.532 7 HG23 THR 1 3HG2 THR 1 3.026 2.521 -3.872 8 H VAL 2 H VAL 2 2.874 -1.680 -3.252 9 HA VAL 2 HA VAL 2 3.428 -3.829 -1.637 10 HB VAL 2 HB VAL 2 4.432 -4.902 -3.719 11 HG11 VAL 2 1HG1 VAL 2 1.753 -3.654 -4.241 12 HG12 VAL 2 2HG1 VAL 2 2.322 -5.271 -4.660 13 HG13 VAL 2 3HG1 VAL 2 1.981 -4.863 -2.978 14 HG21 VAL 2 1HG2 VAL 2 5.303 -2.998 -4.853 15 HG22 VAL 2 2HG2 VAL 2 3.974 -3.622 -5.830 16 HG23 VAL 2 3HG2 VAL 2 3.735 -2.190 -4.829 17 H TYR 3 H TYR 3 5.772 -1.815 -3.393 18 HA TYR 3 HA TYR 3 8.074 -3.211 -2.585 19 HB2 TYR 3 2HB TYR 3 7.864 -1.471 -4.437 20 HB3 TYR 3 3HB TYR 3 7.975 -0.253 -3.170 21 HD1 TYR 3 HD1 TYR 3 9.790 -3.062 -4.768 22 HD2 TYR 3 HD2 TYR 3 10.064 0.365 -2.261 23 HE1 TYR 3 HE1 TYR 3 12.244 -3.193 -4.868 24 HE2 TYR 3 HE2 TYR 3 12.519 0.244 -2.354 25 HH TYR 3 HH TYR 3 14.274 -1.163 -2.875 26 H VAL 4 H VAL 4 6.192 -0.689 -1.051 27 HA VAL 4 HA VAL 4 8.088 -0.015 0.955 28 HB VAL 4 HB VAL 4 5.088 0.329 0.902 29 HG11 VAL 4 1HG1 VAL 4 7.138 1.445 2.811 30 HG12 VAL 4 2HG1 VAL 4 5.460 1.981 2.710 31 HG13 VAL 4 3HG1 VAL 4 5.831 0.326 3.195 32 HG21 VAL 4 1HG2 VAL 4 7.294 2.329 0.419 33 HG22 VAL 4 2HG2 VAL 4 6.355 1.538 -0.847 34 HG23 VAL 4 3HG2 VAL 4 5.559 2.619 0.296 35 H TYR 5 H TYR 5 5.643 -2.487 0.655 36 HA TYR 5 HA TYR 5 5.737 -3.225 3.442 37 HB2 TYR 5 2HB TYR 5 3.807 -3.519 1.637 38 HB3 TYR 5 3HB TYR 5 4.614 -5.061 1.378 39 HD1 TYR 5 HD1 TYR 5 4.389 -6.839 2.936 40 HD2 TYR 5 HD2 TYR 5 2.887 -2.976 3.896 41 HE1 TYR 5 HE1 TYR 5 3.211 -7.786 4.876 42 HE2 TYR 5 HE2 TYR 5 1.706 -3.912 5.839 43 HH TYR 5 HH TYR 5 2.100 -6.072 7.368 44 H SER 6 H SER 6 7.616 -3.843 0.699 45 HA SER 6 HA SER 6 8.489 -6.485 1.442 46 HB2 SER 6 2HB SER 6 8.609 -6.113 -0.868 47 HB3 SER 6 3HB SER 6 9.309 -4.506 -0.669 48 HG SER 6 HG SER 6 11.164 -5.448 -0.876 49 H ARG 7 H ARG 7 9.306 -3.282 2.303 50 HA ARG 7 HA ARG 7 12.012 -3.402 2.851 51 HB2 ARG 7 2HB ARG 7 11.692 -1.574 4.322 52 HB3 ARG 7 3HB ARG 7 10.462 -1.409 3.077 53 HG2 ARG 7 2HG ARG 7 8.890 -2.585 4.688 54 HG3 ARG 7 3HG ARG 7 10.126 -2.311 5.917 55 HD2 ARG 7 2HD ARG 7 9.543 0.079 4.372 56 HD3 ARG 7 3HD ARG 7 8.116 -0.559 5.187 57 HE ARG 7 HE ARG 7 10.173 -0.535 7.048 58 HH11 ARG 7 1HH1 ARG 7 8.374 1.758 5.145 59 HH12 ARG 7 2HH1 ARG 7 8.535 3.041 6.299 60 HH21 ARG 7 1HH2 ARG 7 10.393 1.145 8.575 61 HH22 ARG 7 2HH2 ARG 7 9.685 2.691 8.249 62 H VAL 8 H VAL 8 9.342 -4.846 4.567 63 HA VAL 8 HA VAL 8 10.511 -5.359 7.039 64 HB VAL 8 HB VAL 8 8.643 -7.240 5.596 65 HG11 VAL 8 1HG1 VAL 8 9.252 -8.349 7.514 66 HG12 VAL 8 2HG1 VAL 8 9.490 -6.859 8.430 67 HG13 VAL 8 3HG1 VAL 8 7.858 -7.434 8.087 68 HG21 VAL 8 1HG2 VAL 8 7.128 -5.659 7.290 69 HG22 VAL 8 2HG2 VAL 8 8.225 -4.519 6.511 70 HG23 VAL 8 3HG2 VAL 8 7.185 -5.553 5.531 71 H LYS 9 H LYS 9 10.927 -6.963 3.959 72 HA LYS 9 HA LYS 9 12.941 -8.716 5.206 73 HB2 LYS 9 2HB LYS 9 12.396 -10.418 3.496 74 HB3 LYS 9 3HB LYS 9 11.040 -10.073 4.562 75 HG2 LYS 9 2HG LYS 9 9.873 -9.944 2.659 76 HG3 LYS 9 3HG LYS 9 10.567 -8.325 2.546 77 HD2 LYS 9 2HD LYS 9 11.263 -9.026 0.523 78 HD3 LYS 9 3HD LYS 9 12.548 -9.813 1.443 79 HE2 LYS 9 2HE LYS 9 11.864 -11.703 0.466 80 HE3 LYS 9 3HE LYS 9 10.500 -11.636 1.581 81 HZ1 LYS 9 1HZ LYS 9 9.099 -10.852 -0.035 82 HZ2 LYS 9 2HZ LYS 9 10.097 -11.857 -0.959 83 HZ3 LYS 9 3HZ LYS 9 10.342 -10.183 -0.968
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