NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
655345 | 6tvj | 34474 | 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 HN LEU 1 4.840 3.284 2.417 2 HA LEU 1 HA LEU 1 4.579 6.069 2.270 3 HB2 LEU 1 HB2 LEU 1 7.299 5.198 2.572 4 HB3 LEU 1 HB1 LEU 1 7.084 5.895 0.966 5 HG LEU 1 HG LEU 1 6.122 7.241 3.503 6 HD11 LEU 1 HD11 LEU 1 8.515 7.140 3.676 7 HD12 LEU 1 HD12 LEU 1 8.123 8.754 3.084 8 HD13 LEU 1 HD13 LEU 1 8.716 7.526 1.967 9 HD21 LEU 1 HD21 LEU 1 4.959 8.010 1.531 10 HD22 LEU 1 HD22 LEU 1 6.466 8.118 0.621 11 HD23 LEU 1 HD23 LEU 1 6.154 9.239 1.946 12 H DGL 2 HN DGL 2 4.147 6.771 0.175 13 HA DGL 2 HA DGL 2 4.812 5.556 -2.223 14 HB2 DGL 2 HB2 DGL 2 2.251 7.012 -1.521 15 HB3 DGL 2 HB1 DGL 2 3.741 7.754 -2.101 16 HG2 DGL 2 HG2 DGL 2 3.564 6.485 -4.206 17 HG3 DGL 2 HG1 DGL 2 2.081 5.726 -3.631 18 H DAR 3 HN DAR 3 2.481 4.581 0.160 19 HA DAR 3 HA DAR 3 1.956 2.140 -1.370 20 HB2 DAR 3 HB2 DAR 3 -0.513 3.025 -0.175 21 HB3 DAR 3 HB1 DAR 3 0.093 4.261 -1.278 22 HG2 DAR 3 HG2 DAR 3 -1.142 2.867 -2.705 23 HG3 DAR 3 HG1 DAR 3 0.503 2.265 -2.907 24 HD2 DAR 3 HD2 DAR 3 -0.786 0.313 -2.571 25 HD3 DAR 3 HD1 DAR 3 -0.058 0.626 -0.999 26 HE DAR 3 HE DAR 3 -2.573 1.922 -1.155 27 HH11 DAR 3 HH21 DAR 3 -4.333 1.005 -0.075 28 HH12 DAR 3 HH22 DAR 3 -4.296 -0.666 0.382 29 HH21 DAR 3 HH11 DAR 3 -1.142 -1.250 -0.921 30 HH22 DAR 3 HH12 DAR 3 -2.500 -1.932 -0.096 31 H ARG 4 HN ARG 4 1.627 0.364 -0.072 32 HA ARG 4 HA ARG 4 1.825 0.857 2.835 33 HB2 ARG 4 HB2 ARG 4 0.086 -1.176 1.421 34 HB3 ARG 4 HB1 ARG 4 0.402 -1.183 3.156 35 HG2 ARG 4 HG2 ARG 4 -0.534 1.096 3.337 36 HG3 ARG 4 HG1 ARG 4 -0.861 1.096 1.603 37 HD2 ARG 4 HD2 ARG 4 -2.343 -0.860 1.887 38 HD3 ARG 4 HD1 ARG 4 -2.025 -0.847 3.619 39 HE ARG 4 HE ARG 4 -2.964 1.699 2.863 40 HH11 ARG 4 HH11 ARG 4 -4.060 -1.601 3.125 41 HH12 ARG 4 HH12 ARG 4 -5.703 -1.156 3.428 42 HH21 ARG 4 HH21 ARG 4 -5.119 2.251 3.261 43 HH22 ARG 4 HH22 ARG 4 -6.302 1.010 3.505 44 H TYR 5 HN TYR 5 3.382 -0.255 3.849 45 HA TYR 5 HA TYR 5 4.477 -2.688 2.636 46 HB2 TYR 5 HB2 TYR 5 5.796 -0.702 1.793 47 HB3 TYR 5 HB1 TYR 5 6.279 -0.407 3.463 48 HD1 TYR 5 HD1 TYR 5 6.493 -2.770 0.626 49 HD2 TYR 5 HD2 TYR 5 7.837 -1.866 4.605 50 HE1 TYR 5 HE1 TYR 5 8.270 -4.487 0.416 51 HE2 TYR 5 HE2 TYR 5 9.613 -3.584 4.395 52 HH TYR 5 HH TYR 5 10.520 -4.939 1.457 53 HA DPR 6 HA DPR 6 4.811 -4.335 6.688 54 HB2 DPR 6 HB2 DPR 6 2.769 -5.143 7.410 55 HB3 DPR 6 HB1 DPR 6 1.963 -3.577 7.199 56 HG2 DPR 6 HG2 DPR 6 2.550 -5.689 5.196 57 HG3 DPR 6 HG1 DPR 6 1.146 -4.618 5.335 58 HD2 DPR 6 HD2 DPR 6 3.221 -4.225 3.547 59 HD3 DPR 6 HD1 DPR 6 2.155 -2.933 4.138 60 H ASP 7 HN ASP 7 6.035 -3.149 8.069 61 HA ASP 7 HA ASP 7 5.177 -0.486 8.891 62 HB2 ASP 7 HB2 ASP 7 4.111 -2.130 10.487 63 HB3 ASP 7 HB1 ASP 7 5.738 -2.595 10.981 64 H THR 8 HN THR 8 7.340 -1.283 7.295 65 HA THR 8 HA THR 8 9.637 -0.813 9.100 66 HB THR 8 HB THR 8 11.033 -1.927 7.412 67 HG1 THR 8 HG1 THR 8 9.566 -1.377 5.661 68 HG21 THR 8 HG21 THR 8 9.974 -3.245 9.235 69 HG22 THR 8 HG22 THR 8 10.206 -4.200 7.770 70 HG23 THR 8 HG23 THR 8 8.606 -3.576 8.172 71 H MET 9 HN MET 9 7.811 0.347 6.414 72 HA MET 9 HA MET 9 9.627 2.643 6.204 73 HB2 MET 9 HB2 MET 9 10.249 1.085 4.382 74 HB3 MET 9 HB1 MET 9 8.583 1.116 3.806 75 HG2 MET 9 HG2 MET 9 9.920 2.695 2.506 76 HG3 MET 9 HG1 MET 9 8.767 3.583 3.501 77 HE1 MET 9 HE1 MET 9 12.154 2.462 2.715 78 HE2 MET 9 HE2 MET 9 12.401 1.906 4.368 79 HE3 MET 9 HE3 MET 9 13.287 3.308 3.777 80 H TYR 10 HN TYR 10 6.656 1.338 4.711 81 HA TYR 10 HA TYR 10 4.586 2.273 4.373 82 HB2 TYR 10 HB2 TYR 10 5.299 2.804 7.036 83 HB3 TYR 10 HB1 TYR 10 4.662 4.324 6.408 84 HD1 TYR 10 HD1 TYR 10 2.355 4.648 6.441 85 HD2 TYR 10 HD2 TYR 10 3.911 0.647 6.303 86 HE1 TYR 10 HE1 TYR 10 0.049 3.747 6.593 87 HE2 TYR 10 HE2 TYR 10 1.605 -0.255 6.455 88 HH TYR 10 HH TYR 10 -0.941 1.379 7.496 Start of MODEL 2 1 H1 LEU 1 HN LEU 1 3.592 4.409 4.493 2 HA LEU 1 HA LEU 1 2.902 5.775 2.779 3 HB2 LEU 1 HB2 LEU 1 5.060 7.167 4.019 4 HB3 LEU 1 HB1 LEU 1 5.216 7.363 2.273 5 HG LEU 1 HG LEU 1 2.788 8.005 2.192 6 HD11 LEU 1 HD11 LEU 1 3.139 7.815 5.192 7 HD12 LEU 1 HD12 LEU 1 1.940 6.996 4.192 8 HD13 LEU 1 HD13 LEU 1 1.838 8.738 4.442 9 HD21 LEU 1 HD21 LEU 1 4.731 9.648 2.374 10 HD22 LEU 1 HD22 LEU 1 4.371 9.748 4.097 11 HD23 LEU 1 HD23 LEU 1 3.168 10.262 2.914 12 H DGL 2 HN DGL 2 3.714 6.601 0.509 13 HA DGL 2 HA DGL 2 5.822 5.371 -0.841 14 HB2 DGL 2 HB2 DGL 2 4.445 7.268 -1.709 15 HB3 DGL 2 HB1 DGL 2 4.678 5.974 -2.884 16 HG2 DGL 2 HG2 DGL 2 2.470 5.069 -2.388 17 HG3 DGL 2 HG1 DGL 2 2.236 6.260 -1.110 18 H DAR 3 HN DAR 3 2.594 4.187 -0.107 19 HA DAR 3 HA DAR 3 3.351 1.587 -1.302 20 HB2 DAR 3 HB2 DAR 3 0.526 1.764 -1.138 21 HB3 DAR 3 HB1 DAR 3 1.091 3.264 -1.873 22 HG2 DAR 3 HG2 DAR 3 0.934 1.891 -3.745 23 HG3 DAR 3 HG1 DAR 3 2.619 1.643 -3.289 24 HD2 DAR 3 HD2 DAR 3 0.506 -0.132 -2.111 25 HD3 DAR 3 HD1 DAR 3 1.060 -0.431 -3.756 26 HE DAR 3 HE DAR 3 3.343 -0.153 -2.182 27 HH11 DAR 3 HH21 DAR 3 4.420 -1.965 -1.368 28 HH12 DAR 3 HH22 DAR 3 3.576 -3.468 -1.189 29 HH21 DAR 3 HH11 DAR 3 0.566 -2.251 -2.390 30 HH22 DAR 3 HH12 DAR 3 1.409 -3.625 -1.765 31 H ARG 4 HN ARG 4 1.441 -0.035 -0.349 32 HA ARG 4 HA ARG 4 1.416 0.345 2.577 33 HB2 ARG 4 HB2 ARG 4 -0.436 -0.924 0.642 34 HB3 ARG 4 HB1 ARG 4 -0.237 -1.754 2.186 35 HG2 ARG 4 HG2 ARG 4 -2.028 -0.209 2.515 36 HG3 ARG 4 HG1 ARG 4 -0.623 0.514 3.298 37 HD2 ARG 4 HD2 ARG 4 -1.704 2.234 1.990 38 HD3 ARG 4 HD1 ARG 4 -0.197 1.808 1.185 39 HE ARG 4 HE ARG 4 -2.328 0.233 0.160 40 HH11 ARG 4 HH11 ARG 4 -1.033 3.471 0.132 41 HH12 ARG 4 HH12 ARG 4 -1.671 3.839 -1.432 42 HH21 ARG 4 HH21 ARG 4 -3.149 0.742 -1.882 43 HH22 ARG 4 HH22 ARG 4 -2.862 2.306 -2.567 44 H TYR 5 HN TYR 5 3.361 -0.475 3.223 45 HA TYR 5 HA TYR 5 3.795 -3.351 2.709 46 HB2 TYR 5 HB2 TYR 5 5.331 -1.927 1.322 47 HB3 TYR 5 HB1 TYR 5 6.001 -1.286 2.822 48 HD1 TYR 5 HD1 TYR 5 5.608 -4.316 0.737 49 HD2 TYR 5 HD2 TYR 5 7.424 -2.630 4.245 50 HE1 TYR 5 HE1 TYR 5 7.087 -6.298 0.924 51 HE2 TYR 5 HE2 TYR 5 8.903 -4.611 4.432 52 HH TYR 5 HH TYR 5 8.358 -7.466 2.857 53 HA DPR 6 HA DPR 6 4.366 -4.093 7.002 54 HB2 DPR 6 HB2 DPR 6 2.326 -4.453 8.027 55 HB3 DPR 6 HB1 DPR 6 1.672 -2.892 7.498 56 HG2 DPR 6 HG2 DPR 6 1.862 -5.463 6.023 57 HG3 DPR 6 HG1 DPR 6 0.588 -4.232 5.995 58 HD2 DPR 6 HD2 DPR 6 2.519 -4.501 4.033 59 HD3 DPR 6 HD1 DPR 6 1.649 -2.991 4.374 60 H ASP 7 HN ASP 7 5.760 -2.845 8.125 61 HA ASP 7 HA ASP 7 5.307 0.040 8.313 62 HB2 ASP 7 HB2 ASP 7 4.172 -0.998 10.287 63 HB3 ASP 7 HB1 ASP 7 5.729 -1.658 10.781 64 H THR 8 HN THR 8 7.220 -1.023 6.765 65 HA THR 8 HA THR 8 9.698 -0.722 8.356 66 HB THR 8 HB THR 8 10.817 -2.121 6.676 67 HG1 THR 8 HG1 THR 8 9.861 -2.350 4.842 68 HG21 THR 8 HG21 THR 8 9.751 -4.247 7.267 69 HG22 THR 8 HG22 THR 8 8.283 -3.395 7.745 70 HG23 THR 8 HG23 THR 8 9.770 -3.172 8.665 71 H MET 9 HN MET 9 7.806 0.402 5.692 72 HA MET 9 HA MET 9 9.994 2.243 4.931 73 HB2 MET 9 HB2 MET 9 7.835 0.994 3.226 74 HB3 MET 9 HB1 MET 9 8.837 2.342 2.690 75 HG2 MET 9 HG2 MET 9 10.865 0.935 3.209 76 HG3 MET 9 HG1 MET 9 9.776 -0.422 3.497 77 HE1 MET 9 HE1 MET 9 8.410 -1.576 1.960 78 HE2 MET 9 HE2 MET 9 8.222 -1.310 0.228 79 HE3 MET 9 HE3 MET 9 7.483 -0.190 1.369 80 H TYR 10 HN TYR 10 6.497 1.839 5.312 81 HA TYR 10 HA TYR 10 4.843 3.331 5.865 82 HB2 TYR 10 HB2 TYR 10 7.222 4.349 7.119 83 HB3 TYR 10 HB1 TYR 10 6.233 5.692 6.548 84 HD1 TYR 10 HD1 TYR 10 4.756 6.517 8.139 85 HD2 TYR 10 HD2 TYR 10 5.585 2.303 8.039 86 HE1 TYR 10 HE1 TYR 10 3.182 6.163 10.024 87 HE2 TYR 10 HE2 TYR 10 4.011 1.950 9.923 88 HH TYR 10 HH TYR 10 2.996 4.245 11.926 Start of MODEL 3 1 H1 LEU 1 HN LEU 1 6.559 2.895 3.553 2 HA LEU 1 HA LEU 1 7.781 4.720 1.888 3 HB2 LEU 1 HB2 LEU 1 7.929 2.326 1.497 4 HB3 LEU 1 HB1 LEU 1 6.209 2.244 1.130 5 HG LEU 1 HG LEU 1 6.560 3.739 -0.816 6 HD11 LEU 1 HD11 LEU 1 9.443 3.584 0.105 7 HD12 LEU 1 HD12 LEU 1 8.457 5.034 -0.095 8 HD13 LEU 1 HD13 LEU 1 8.973 4.116 -1.510 9 HD21 LEU 1 HD21 LEU 1 7.997 2.119 -2.147 10 HD22 LEU 1 HD22 LEU 1 6.654 1.382 -1.275 11 HD23 LEU 1 HD23 LEU 1 8.293 1.262 -0.636 12 H DGL 2 HN DGL 2 4.663 3.363 0.868 13 HA DGL 2 HA DGL 2 4.012 5.786 -0.550 14 HB2 DGL 2 HB2 DGL 2 1.997 5.047 1.538 15 HB3 DGL 2 HB1 DGL 2 3.371 6.053 1.997 16 HG2 DGL 2 HG2 DGL 2 1.572 7.525 1.339 17 HG3 DGL 2 HG1 DGL 2 2.802 7.579 0.079 18 H DAR 3 HN DAR 3 2.616 2.835 0.888 19 HA DAR 3 HA DAR 3 2.031 1.650 -1.616 20 HB2 DAR 3 HB2 DAR 3 0.323 3.488 -1.628 21 HB3 DAR 3 HB1 DAR 3 -0.371 1.870 -1.705 22 HG2 DAR 3 HG2 DAR 3 -0.835 1.924 0.702 23 HG3 DAR 3 HG1 DAR 3 -0.078 3.512 0.829 24 HD2 DAR 3 HD2 DAR 3 -1.766 4.442 -0.705 25 HD3 DAR 3 HD1 DAR 3 -2.516 2.855 -0.847 26 HE DAR 3 HE DAR 3 -2.391 3.527 1.881 27 HH11 DAR 3 HH21 DAR 3 -4.232 4.320 2.923 28 HH12 DAR 3 HH22 DAR 3 -5.516 5.026 2.000 29 HH21 DAR 3 HH11 DAR 3 -3.960 4.557 -1.058 30 HH22 DAR 3 HH12 DAR 3 -5.360 5.157 -0.240 31 H ARG 4 HN ARG 4 1.373 1.914 1.819 32 HA ARG 4 HA ARG 4 1.201 0.306 3.449 33 HB2 ARG 4 HB2 ARG 4 -1.011 0.121 2.040 34 HB3 ARG 4 HB1 ARG 4 -0.323 -1.420 1.530 35 HG2 ARG 4 HG2 ARG 4 -1.657 -1.898 3.457 36 HG3 ARG 4 HG1 ARG 4 0.020 -1.942 4.002 37 HD2 ARG 4 HD2 ARG 4 -0.151 0.229 4.996 38 HD3 ARG 4 HD1 ARG 4 -1.690 0.546 4.200 39 HE ARG 4 HE ARG 4 -2.025 -1.734 5.785 40 HH11 ARG 4 HH11 ARG 4 -1.288 1.653 6.171 41 HH12 ARG 4 HH12 ARG 4 -2.010 1.753 7.739 42 HH21 ARG 4 HH21 ARG 4 -2.960 -1.574 7.836 43 HH22 ARG 4 HH22 ARG 4 -2.952 -0.060 8.678 44 H TYR 5 HN TYR 5 3.393 -0.290 3.487 45 HA TYR 5 HA TYR 5 3.941 -2.911 2.235 46 HB2 TYR 5 HB2 TYR 5 5.119 -1.016 1.067 47 HB3 TYR 5 HB1 TYR 5 5.978 -0.703 2.575 48 HD1 TYR 5 HD1 TYR 5 7.743 -2.153 3.342 49 HD2 TYR 5 HD2 TYR 5 5.427 -3.177 -0.128 50 HE1 TYR 5 HE1 TYR 5 9.367 -3.943 2.786 51 HE2 TYR 5 HE2 TYR 5 7.051 -4.966 -0.684 52 HH TYR 5 HH TYR 5 8.896 -6.387 1.086 53 HA DPR 6 HA DPR 6 5.120 -4.612 6.103 54 HB2 DPR 6 HB2 DPR 6 3.262 -5.286 7.299 55 HB3 DPR 6 HB1 DPR 6 2.521 -3.674 7.250 56 HG2 DPR 6 HG2 DPR 6 2.526 -5.819 5.196 57 HG3 DPR 6 HG1 DPR 6 1.245 -4.678 5.639 58 HD2 DPR 6 HD2 DPR 6 2.875 -4.389 3.422 59 HD3 DPR 6 HD1 DPR 6 2.038 -3.045 4.227 60 H ASP 7 HN ASP 7 3.960 -1.324 6.026 61 HA ASP 7 HA ASP 7 4.702 0.563 7.114 62 HB2 ASP 7 HB2 ASP 7 3.130 -0.521 8.778 63 HB3 ASP 7 HB1 ASP 7 4.556 -1.181 9.575 64 H THR 8 HN THR 8 6.791 -0.968 6.006 65 HA THR 8 HA THR 8 8.892 -1.412 7.888 66 HB THR 8 HB THR 8 10.334 -1.570 5.889 67 HG1 THR 8 HG1 THR 8 7.981 -0.625 4.635 68 HG21 THR 8 HG21 THR 8 8.948 -3.360 4.708 69 HG22 THR 8 HG22 THR 8 7.642 -2.941 5.816 70 HG23 THR 8 HG23 THR 8 9.164 -3.571 6.445 71 H MET 9 HN MET 9 7.796 1.337 6.029 72 HA MET 9 HA MET 9 9.255 3.180 7.636 73 HB2 MET 9 HB2 MET 9 10.771 4.061 5.927 74 HB3 MET 9 HB1 MET 9 11.128 2.364 6.246 75 HG2 MET 9 HG2 MET 9 9.800 1.711 4.270 76 HG3 MET 9 HG1 MET 9 9.448 3.409 3.947 77 HE1 MET 9 HE1 MET 9 12.155 5.007 4.462 78 HE2 MET 9 HE2 MET 9 10.863 5.098 3.267 79 HE3 MET 9 HE3 MET 9 12.540 5.010 2.734 80 H TYR 10 HN TYR 10 6.572 2.587 6.420 81 HA TYR 10 HA TYR 10 4.810 3.707 5.451 82 HB2 TYR 10 HB2 TYR 10 6.400 6.070 6.482 83 HB3 TYR 10 HB1 TYR 10 4.714 6.128 5.969 84 HD1 TYR 10 HD1 TYR 10 2.963 4.939 7.247 85 HD2 TYR 10 HD2 TYR 10 7.048 5.039 8.574 86 HE1 TYR 10 HE1 TYR 10 2.252 4.175 9.497 87 HE2 TYR 10 HE2 TYR 10 6.335 4.276 10.824 88 HH TYR 10 HH TYR 10 4.244 4.338 12.208 Start of MODEL 4 1 H1 LEU 1 HN LEU 1 5.578 4.522 3.712 2 HA LEU 1 HA LEU 1 4.649 7.113 3.060 3 HB2 LEU 1 HB2 LEU 1 7.397 7.037 3.043 4 HB3 LEU 1 HB1 LEU 1 7.004 6.686 1.360 5 HG LEU 1 HG LEU 1 5.629 8.946 2.798 6 HD11 LEU 1 HD11 LEU 1 7.366 10.474 2.078 7 HD12 LEU 1 HD12 LEU 1 8.242 9.169 1.277 8 HD13 LEU 1 HD13 LEU 1 8.123 9.201 3.036 9 HD21 LEU 1 HD21 LEU 1 4.715 8.294 0.645 10 HD22 LEU 1 HD22 LEU 1 6.319 8.310 -0.087 11 HD23 LEU 1 HD23 LEU 1 5.575 9.819 0.438 12 H DGL 2 HN DGL 2 6.480 4.543 1.383 13 HA DGL 2 HA DGL 2 5.940 3.182 -0.378 14 HB2 DGL 2 HB2 DGL 2 4.428 4.149 -2.123 15 HB3 DGL 2 HB1 DGL 2 4.146 5.521 -1.056 16 HG2 DGL 2 HG2 DGL 2 5.909 6.265 -2.423 17 HG3 DGL 2 HG1 DGL 2 6.731 5.715 -0.965 18 H DAR 3 HN DAR 3 4.347 3.173 2.194 19 HA DAR 3 HA DAR 3 1.657 2.639 1.826 20 HB2 DAR 3 HB2 DAR 3 2.521 0.741 3.694 21 HB3 DAR 3 HB1 DAR 3 3.665 2.075 3.840 22 HG2 DAR 3 HG2 DAR 3 2.013 2.863 5.243 23 HG3 DAR 3 HG1 DAR 3 1.415 3.517 3.718 24 HD2 DAR 3 HD2 DAR 3 -0.058 1.584 3.434 25 HD3 DAR 3 HD1 DAR 3 0.574 0.858 4.908 26 HE DAR 3 HE DAR 3 -1.342 3.028 4.724 27 HH11 DAR 3 HH21 DAR 3 -2.232 3.717 6.681 28 HH12 DAR 3 HH22 DAR 3 -1.501 3.246 8.180 29 HH21 DAR 3 HH11 DAR 3 1.026 1.399 6.704 30 HH22 DAR 3 HH12 DAR 3 0.329 1.943 8.190 31 H ARG 4 HN ARG 4 0.693 0.347 2.136 32 HA ARG 4 HA ARG 4 0.230 -1.710 1.228 33 HB2 ARG 4 HB2 ARG 4 0.456 -0.163 -0.853 34 HB3 ARG 4 HB1 ARG 4 1.983 -1.007 -1.107 35 HG2 ARG 4 HG2 ARG 4 0.849 -3.153 -1.185 36 HG3 ARG 4 HG1 ARG 4 -0.685 -2.401 -0.747 37 HD2 ARG 4 HD2 ARG 4 0.893 -1.789 -3.261 38 HD3 ARG 4 HD1 ARG 4 -0.521 -2.836 -3.187 39 HE ARG 4 HE ARG 4 -1.263 -0.388 -2.071 40 HH11 ARG 4 HH11 ARG 4 -0.159 -1.637 -5.134 41 HH12 ARG 4 HH12 ARG 4 -1.002 -0.443 -6.059 42 HH21 ARG 4 HH21 ARG 4 -2.354 1.159 -3.305 43 HH22 ARG 4 HH22 ARG 4 -2.237 1.130 -5.033 44 H TYR 5 HN TYR 5 2.915 -1.115 2.679 45 HA TYR 5 HA TYR 5 4.034 -3.777 2.180 46 HB2 TYR 5 HB2 TYR 5 5.309 -2.103 0.789 47 HB3 TYR 5 HB1 TYR 5 5.791 -1.321 2.295 48 HD1 TYR 5 HD1 TYR 5 7.403 -2.332 3.782 49 HD2 TYR 5 HD2 TYR 5 6.040 -4.418 0.285 50 HE1 TYR 5 HE1 TYR 5 9.221 -3.995 4.066 51 HE2 TYR 5 HE2 TYR 5 7.858 -6.081 0.568 52 HH TYR 5 HH TYR 5 10.057 -6.234 1.631 53 HA DPR 6 HA DPR 6 4.540 -4.166 6.522 54 HB2 DPR 6 HB2 DPR 6 2.599 -4.986 7.459 55 HB3 DPR 6 HB1 DPR 6 1.632 -3.609 6.899 56 HG2 DPR 6 HG2 DPR 6 2.423 -6.081 5.455 57 HG3 DPR 6 HG1 DPR 6 0.910 -5.163 5.383 58 HD2 DPR 6 HD2 DPR 6 2.864 -5.007 3.457 59 HD3 DPR 6 HD1 DPR 6 1.724 -3.690 3.805 60 H ASP 7 HN ASP 7 5.588 -2.547 7.559 61 HA ASP 7 HA ASP 7 4.475 0.148 7.596 62 HB2 ASP 7 HB2 ASP 7 3.470 -1.076 9.561 63 HB3 ASP 7 HB1 ASP 7 5.104 -1.254 10.198 64 H THR 8 HN THR 8 6.743 -0.724 6.289 65 HA THR 8 HA THR 8 8.921 0.349 7.985 66 HB THR 8 HB THR 8 10.477 -0.951 6.591 67 HG1 THR 8 HG1 THR 8 8.086 -1.902 5.397 68 HG21 THR 8 HG21 THR 8 9.676 -2.029 8.599 69 HG22 THR 8 HG22 THR 8 9.702 -3.237 7.314 70 HG23 THR 8 HG23 THR 8 8.175 -2.502 7.803 71 H MET 9 HN MET 9 7.207 0.521 4.960 72 HA MET 9 HA MET 9 9.034 2.191 3.558 73 HB2 MET 9 HB2 MET 9 6.060 1.737 3.260 74 HB3 MET 9 HB1 MET 9 7.000 2.749 2.165 75 HG2 MET 9 HG2 MET 9 7.634 -0.156 2.754 76 HG3 MET 9 HG1 MET 9 6.719 0.391 1.350 77 HE1 MET 9 HE1 MET 9 8.726 -0.706 -0.464 78 HE2 MET 9 HE2 MET 9 8.874 -1.388 1.154 79 HE3 MET 9 HE3 MET 9 10.313 -0.822 0.310 80 H TYR 10 HN TYR 10 6.304 2.829 5.706 81 HA TYR 10 HA TYR 10 5.522 4.764 6.665 82 HB2 TYR 10 HB2 TYR 10 8.452 5.482 6.420 83 HB3 TYR 10 HB1 TYR 10 7.275 6.389 7.369 84 HD1 TYR 10 HD1 TYR 10 9.560 3.639 7.366 85 HD2 TYR 10 HD2 TYR 10 5.919 5.061 9.144 86 HE1 TYR 10 HE1 TYR 10 9.867 2.062 9.255 87 HE2 TYR 10 HE2 TYR 10 6.227 3.486 11.035 88 HH TYR 10 HH TYR 10 9.152 1.854 11.608 Start of MODEL 5 1 H1 LEU 1 HN LEU 1 6.687 2.360 2.187 2 HA LEU 1 HA LEU 1 7.098 4.566 0.259 3 HB2 LEU 1 HB2 LEU 1 5.937 2.100 -0.224 4 HB3 LEU 1 HB1 LEU 1 4.548 3.152 0.052 5 HG LEU 1 HG LEU 1 6.799 4.023 -1.751 6 HD11 LEU 1 HD11 LEU 1 5.691 3.043 -3.647 7 HD12 LEU 1 HD12 LEU 1 4.327 2.525 -2.656 8 HD13 LEU 1 HD13 LEU 1 5.903 1.757 -2.458 9 HD21 LEU 1 HD21 LEU 1 5.029 5.413 -2.719 10 HD22 LEU 1 HD22 LEU 1 5.079 5.657 -0.973 11 HD23 LEU 1 HD23 LEU 1 3.827 4.640 -1.687 12 H DGL 2 HN DGL 2 4.408 3.203 2.179 13 HA DGL 2 HA DGL 2 3.648 5.965 2.891 14 HB2 DGL 2 HB2 DGL 2 3.061 5.100 5.176 15 HB3 DGL 2 HB1 DGL 2 3.886 3.598 4.756 16 HG2 DGL 2 HG2 DGL 2 5.960 4.876 4.304 17 HG3 DGL 2 HG1 DGL 2 5.135 6.359 4.777 18 H DAR 3 HN DAR 3 2.610 2.548 2.875 19 HA DAR 3 HA DAR 3 0.158 3.184 1.554 20 HB2 DAR 3 HB2 DAR 3 -0.579 2.053 4.151 21 HB3 DAR 3 HB1 DAR 3 0.072 3.688 4.262 22 HG2 DAR 3 HG2 DAR 3 -2.259 3.986 3.906 23 HG3 DAR 3 HG1 DAR 3 -1.521 4.274 2.330 24 HD2 DAR 3 HD2 DAR 3 -2.400 1.498 3.051 25 HD3 DAR 3 HD1 DAR 3 -3.603 2.674 2.533 26 HE DAR 3 HE DAR 3 -1.532 2.779 0.673 27 HH11 DAR 3 HH21 DAR 3 -1.652 1.628 -1.268 28 HH12 DAR 3 HH22 DAR 3 -2.693 0.247 -1.394 29 HH21 DAR 3 HH11 DAR 3 -3.846 0.459 1.864 30 HH22 DAR 3 HH12 DAR 3 -3.925 -0.408 0.369 31 H ARG 4 HN ARG 4 2.516 1.214 1.730 32 HA ARG 4 HA ARG 4 1.107 -1.321 2.090 33 HB2 ARG 4 HB2 ARG 4 1.630 -2.093 -0.180 34 HB3 ARG 4 HB1 ARG 4 0.582 -0.676 -0.227 35 HG2 ARG 4 HG2 ARG 4 2.507 0.772 -0.662 36 HG3 ARG 4 HG1 ARG 4 3.598 -0.609 -0.536 37 HD2 ARG 4 HD2 ARG 4 1.355 -0.391 -2.560 38 HD3 ARG 4 HD1 ARG 4 3.037 0.001 -2.902 39 HE ARG 4 HE ARG 4 3.009 -2.579 -1.841 40 HH11 ARG 4 HH11 ARG 4 1.746 -0.883 -4.614 41 HH12 ARG 4 HH12 ARG 4 1.786 -2.279 -5.635 42 HH21 ARG 4 HH21 ARG 4 3.052 -4.385 -3.197 43 HH22 ARG 4 HH22 ARG 4 2.520 -4.250 -4.840 44 H TYR 5 HN TYR 5 2.596 -3.194 1.680 45 HA TYR 5 HA TYR 5 4.537 -4.324 2.155 46 HB2 TYR 5 HB2 TYR 5 5.316 -2.811 0.234 47 HB3 TYR 5 HB1 TYR 5 6.038 -1.798 1.483 48 HD1 TYR 5 HD1 TYR 5 7.985 -2.512 2.717 49 HD2 TYR 5 HD2 TYR 5 6.071 -5.157 -0.075 50 HE1 TYR 5 HE1 TYR 5 9.926 -4.051 2.843 51 HE2 TYR 5 HE2 TYR 5 8.012 -6.695 0.051 52 HH TYR 5 HH TYR 5 10.289 -6.587 2.442 53 HA DPR 6 HA DPR 6 5.637 -3.121 6.249 54 HB2 DPR 6 HB2 DPR 6 4.493 -5.025 6.881 55 HB3 DPR 6 HB1 DPR 6 3.482 -3.835 7.724 56 HG2 DPR 6 HG2 DPR 6 2.491 -5.573 5.920 57 HG3 DPR 6 HG1 DPR 6 1.810 -3.960 6.182 58 HD2 DPR 6 HD2 DPR 6 3.266 -4.981 3.845 59 HD3 DPR 6 HD1 DPR 6 2.298 -3.499 4.002 60 H ASP 7 HN ASP 7 4.344 -0.902 4.683 61 HA ASP 7 HA ASP 7 3.734 1.278 5.080 62 HB2 ASP 7 HB2 ASP 7 1.556 0.029 5.433 63 HB3 ASP 7 HB1 ASP 7 1.889 0.098 7.162 64 H THR 8 HN THR 8 6.027 0.409 6.464 65 HA THR 8 HA THR 8 5.791 1.915 9.000 66 HB THR 8 HB THR 8 7.762 -0.285 8.339 67 HG1 THR 8 HG1 THR 8 5.397 -0.233 9.897 68 HG21 THR 8 HG21 THR 8 7.224 1.398 10.789 69 HG22 THR 8 HG22 THR 8 8.752 1.163 9.941 70 HG23 THR 8 HG23 THR 8 8.057 -0.153 10.885 71 H MET 9 HN MET 9 8.355 0.876 6.741 72 HA MET 9 HA MET 9 9.170 3.669 6.398 73 HB2 MET 9 HB2 MET 9 10.955 1.495 7.503 74 HB3 MET 9 HB1 MET 9 11.576 2.987 6.799 75 HG2 MET 9 HG2 MET 9 10.380 4.320 8.446 76 HG3 MET 9 HG1 MET 9 9.603 2.880 9.098 77 HE1 MET 9 HE1 MET 9 13.564 3.406 8.044 78 HE2 MET 9 HE2 MET 9 13.862 4.370 9.489 79 HE3 MET 9 HE3 MET 9 12.591 4.847 8.366 80 H TYR 10 HN TYR 10 8.134 2.986 4.310 81 HA TYR 10 HA TYR 10 10.225 2.109 2.476 82 HB2 TYR 10 HB2 TYR 10 7.556 0.688 2.661 83 HB3 TYR 10 HB1 TYR 10 8.745 0.452 1.380 84 HD1 TYR 10 HD1 TYR 10 10.949 -0.569 1.878 85 HD2 TYR 10 HD2 TYR 10 7.889 -0.226 4.873 86 HE1 TYR 10 HE1 TYR 10 12.150 -2.212 3.294 87 HE2 TYR 10 HE2 TYR 10 9.091 -1.868 6.289 88 HH TYR 10 HH TYR 10 11.509 -3.853 5.150 Start of MODEL 6 1 H1 LEU 1 HN LEU 1 7.168 5.341 2.520 2 HA LEU 1 HA LEU 1 4.442 4.711 3.286 3 HB2 LEU 1 HB2 LEU 1 5.555 6.934 4.470 4 HB3 LEU 1 HB1 LEU 1 4.768 7.615 3.046 5 HG LEU 1 HG LEU 1 2.701 6.277 3.701 6 HD11 LEU 1 HD11 LEU 1 3.613 4.660 5.207 7 HD12 LEU 1 HD12 LEU 1 2.651 5.750 6.203 8 HD13 LEU 1 HD13 LEU 1 4.409 5.903 6.171 9 HD21 LEU 1 HD21 LEU 1 3.661 8.340 5.710 10 HD22 LEU 1 HD22 LEU 1 1.985 7.949 5.324 11 HD23 LEU 1 HD23 LEU 1 3.007 8.732 4.119 12 H DGL 2 HN DGL 2 3.164 4.663 1.529 13 HA DGL 2 HA DGL 2 4.293 5.684 -0.995 14 HB2 DGL 2 HB2 DGL 2 1.809 6.230 -1.578 15 HB3 DGL 2 HB1 DGL 2 1.590 6.278 0.171 16 HG2 DGL 2 HG2 DGL 2 3.870 7.782 -1.082 17 HG3 DGL 2 HG1 DGL 2 2.250 8.474 -1.114 18 H DAR 3 HN DAR 3 2.377 3.335 0.714 19 HA DAR 3 HA DAR 3 2.788 1.319 -1.222 20 HB2 DAR 3 HB2 DAR 3 1.138 2.616 -2.519 21 HB3 DAR 3 HB1 DAR 3 0.492 1.044 -2.051 22 HG2 DAR 3 HG2 DAR 3 -0.654 2.098 -0.125 23 HG3 DAR 3 HG1 DAR 3 -0.033 3.669 -0.628 24 HD2 DAR 3 HD2 DAR 3 -1.199 3.414 -2.803 25 HD3 DAR 3 HD1 DAR 3 -1.860 1.877 -2.250 26 HE DAR 3 HE DAR 3 -2.512 3.860 -0.360 27 HH11 DAR 3 HH21 DAR 3 -4.589 4.750 -0.354 28 HH12 DAR 3 HH22 DAR 3 -5.578 4.651 -1.772 29 HH21 DAR 3 HH11 DAR 3 -3.220 2.952 -3.652 30 HH22 DAR 3 HH12 DAR 3 -4.806 3.639 -3.626 31 H ARG 4 HN ARG 4 0.724 -0.399 -0.776 32 HA ARG 4 HA ARG 4 0.303 -0.507 2.129 33 HB2 ARG 4 HB2 ARG 4 -0.868 -2.175 -0.111 34 HB3 ARG 4 HB1 ARG 4 -1.274 -2.343 1.598 35 HG2 ARG 4 HG2 ARG 4 -2.170 -0.099 1.673 36 HG3 ARG 4 HG1 ARG 4 -1.593 0.236 0.041 37 HD2 ARG 4 HD2 ARG 4 -3.619 -1.907 0.733 38 HD3 ARG 4 HD1 ARG 4 -4.032 -0.309 0.120 39 HE ARG 4 HE ARG 4 -2.191 -1.429 -1.662 40 HH11 ARG 4 HH11 ARG 4 -5.412 -2.047 -0.477 41 HH12 ARG 4 HH12 ARG 4 -5.933 -2.806 -1.940 42 HH21 ARG 4 HH21 ARG 4 -2.899 -2.423 -3.563 43 HH22 ARG 4 HH22 ARG 4 -4.523 -3.019 -3.678 44 H TYR 5 HN TYR 5 2.379 -1.111 2.806 45 HA TYR 5 HA TYR 5 2.955 -3.959 2.445 46 HB2 TYR 5 HB2 TYR 5 4.309 -2.649 0.751 47 HB3 TYR 5 HB1 TYR 5 5.126 -1.882 2.112 48 HD1 TYR 5 HD1 TYR 5 4.512 -5.098 0.381 49 HD2 TYR 5 HD2 TYR 5 6.721 -3.081 3.465 50 HE1 TYR 5 HE1 TYR 5 6.016 -7.060 0.588 51 HE2 TYR 5 HE2 TYR 5 8.225 -5.043 3.671 52 HH TYR 5 HH TYR 5 7.510 -8.046 2.400 53 HA DPR 6 HA DPR 6 3.753 -4.099 6.750 54 HB2 DPR 6 HB2 DPR 6 1.783 -4.099 7.961 55 HB3 DPR 6 HB1 DPR 6 1.226 -2.574 7.245 56 HG2 DPR 6 HG2 DPR 6 1.054 -5.339 6.180 57 HG3 DPR 6 HG1 DPR 6 -0.092 -3.997 6.038 58 HD2 DPR 6 HD2 DPR 6 1.657 -4.772 4.031 59 HD3 DPR 6 HD1 DPR 6 0.935 -3.154 4.164 60 H ASP 7 HN ASP 7 5.160 -2.880 7.875 61 HA ASP 7 HA ASP 7 5.184 0.022 7.467 62 HB2 ASP 7 HB2 ASP 7 3.822 -0.368 9.506 63 HB3 ASP 7 HB1 ASP 7 5.178 -1.235 10.222 64 H THR 8 HN THR 8 7.164 0.124 6.526 65 HA THR 8 HA THR 8 9.436 -0.876 8.118 66 HB THR 8 HB THR 8 9.201 -2.491 6.361 67 HG1 THR 8 HG1 THR 8 11.129 -0.652 5.421 68 HG21 THR 8 HG21 THR 8 9.104 -0.132 4.461 69 HG22 THR 8 HG22 THR 8 7.737 -1.157 4.892 70 HG23 THR 8 HG23 THR 8 9.094 -1.831 3.992 71 H MET 9 HN MET 9 8.874 1.609 8.549 72 HA MET 9 HA MET 9 9.535 3.807 8.355 73 HB2 MET 9 HB2 MET 9 12.023 2.506 7.227 74 HB3 MET 9 HB1 MET 9 11.916 4.116 7.935 75 HG2 MET 9 HG2 MET 9 11.310 1.530 9.398 76 HG3 MET 9 HG1 MET 9 12.800 2.458 9.556 77 HE1 MET 9 HE1 MET 9 10.755 1.603 11.950 78 HE2 MET 9 HE2 MET 9 11.004 3.042 12.936 79 HE3 MET 9 HE3 MET 9 12.366 2.324 12.079 80 H TYR 10 HN TYR 10 7.898 3.108 6.241 81 HA TYR 10 HA TYR 10 8.895 4.920 4.187 82 HB2 TYR 10 HB2 TYR 10 9.067 3.447 2.461 83 HB3 TYR 10 HB1 TYR 10 9.384 2.291 3.757 84 HD1 TYR 10 HD1 TYR 10 7.123 3.270 1.114 85 HD2 TYR 10 HD2 TYR 10 7.437 0.980 4.735 86 HE1 TYR 10 HE1 TYR 10 5.072 2.019 0.500 87 HE2 TYR 10 HE2 TYR 10 5.386 -0.272 4.120 88 HH TYR 10 HH TYR 10 4.072 -0.243 1.039 Start of MODEL 7 1 H1 LEU 1 HN LEU 1 5.017 3.947 3.195 2 HA LEU 1 HA LEU 1 3.845 6.484 2.747 3 HB2 LEU 1 HB2 LEU 1 5.840 7.339 3.872 4 HB3 LEU 1 HB1 LEU 1 6.873 6.424 2.776 5 HG LEU 1 HG LEU 1 5.969 7.712 0.860 6 HD11 LEU 1 HD11 LEU 1 4.408 9.093 3.057 7 HD12 LEU 1 HD12 LEU 1 3.766 8.276 1.631 8 HD13 LEU 1 HD13 LEU 1 4.640 9.798 1.456 9 HD21 LEU 1 HD21 LEU 1 7.058 9.847 1.411 10 HD22 LEU 1 HD22 LEU 1 7.995 8.499 2.054 11 HD23 LEU 1 HD23 LEU 1 6.976 9.458 3.128 12 H DGL 2 HN DGL 2 3.026 6.208 0.791 13 HA DGL 2 HA DGL 2 4.388 5.952 -1.577 14 HB2 DGL 2 HB2 DGL 2 1.755 4.562 -1.367 15 HB3 DGL 2 HB1 DGL 2 1.816 6.289 -1.012 16 HG2 DGL 2 HG2 DGL 2 3.126 5.198 -3.493 17 HG3 DGL 2 HG1 DGL 2 1.397 5.536 -3.474 18 H DAR 3 HN DAR 3 3.174 3.333 0.484 19 HA DAR 3 HA DAR 3 5.180 1.513 -0.314 20 HB2 DAR 3 HB2 DAR 3 2.571 0.558 -1.388 21 HB3 DAR 3 HB1 DAR 3 3.470 1.728 -2.353 22 HG2 DAR 3 HG2 DAR 3 5.012 -0.552 -1.213 23 HG3 DAR 3 HG1 DAR 3 3.914 -0.912 -2.546 24 HD2 DAR 3 HD2 DAR 3 4.973 0.967 -3.835 25 HD3 DAR 3 HD1 DAR 3 6.153 1.128 -2.538 26 HE DAR 3 HE DAR 3 6.114 -1.560 -3.383 27 HH11 DAR 3 HH21 DAR 3 7.739 -2.313 -4.760 28 HH12 DAR 3 HH22 DAR 3 8.658 -1.196 -5.712 29 HH21 DAR 3 HH11 DAR 3 7.002 1.609 -4.538 30 HH22 DAR 3 HH12 DAR 3 8.241 1.011 -5.586 31 H ARG 4 HN ARG 4 4.228 2.290 2.126 32 HA ARG 4 HA ARG 4 3.482 1.501 4.142 33 HB2 ARG 4 HB2 ARG 4 1.426 0.687 2.237 34 HB3 ARG 4 HB1 ARG 4 1.538 -0.410 3.612 35 HG2 ARG 4 HG2 ARG 4 0.013 1.321 4.253 36 HG3 ARG 4 HG1 ARG 4 1.522 1.642 5.108 37 HD2 ARG 4 HD2 ARG 4 0.771 3.733 4.180 38 HD3 ARG 4 HD1 ARG 4 2.155 3.203 3.228 39 HE ARG 4 HE ARG 4 -0.260 2.254 2.064 40 HH11 ARG 4 HH11 ARG 4 1.634 5.146 2.528 41 HH12 ARG 4 HH12 ARG 4 1.042 5.905 1.090 42 HH21 ARG 4 HH21 ARG 4 -1.015 3.270 0.193 43 HH22 ARG 4 HH22 ARG 4 -0.447 4.852 -0.225 44 H TYR 5 HN TYR 5 2.782 -1.485 2.360 45 HA TYR 5 HA TYR 5 3.539 -3.634 2.712 46 HB2 TYR 5 HB2 TYR 5 5.426 -2.467 1.437 47 HB3 TYR 5 HB1 TYR 5 6.259 -2.359 2.989 48 HD1 TYR 5 HD1 TYR 5 4.917 -4.667 0.429 49 HD2 TYR 5 HD2 TYR 5 7.151 -4.327 4.083 50 HE1 TYR 5 HE1 TYR 5 5.667 -7.020 0.191 51 HE2 TYR 5 HE2 TYR 5 7.899 -6.678 3.845 52 HH TYR 5 HH TYR 5 6.688 -8.856 2.428 53 HA DPR 6 HA DPR 6 4.060 -4.438 7.002 54 HB2 DPR 6 HB2 DPR 6 1.881 -5.169 7.102 55 HB3 DPR 6 HB1 DPR 6 1.663 -3.732 8.120 56 HG2 DPR 6 HG2 DPR 6 0.233 -4.126 5.892 57 HG3 DPR 6 HG1 DPR 6 0.719 -2.511 6.434 58 HD2 DPR 6 HD2 DPR 6 1.744 -4.108 4.149 59 HD3 DPR 6 HD1 DPR 6 1.733 -2.347 4.383 60 H ASP 7 HN ASP 7 5.695 -2.851 7.443 61 HA ASP 7 HA ASP 7 4.948 -0.190 8.285 62 HB2 ASP 7 HB2 ASP 7 4.437 -1.771 10.247 63 HB3 ASP 7 HB1 ASP 7 6.184 -1.955 10.389 64 H THR 8 HN THR 8 6.702 -1.239 6.298 65 HA THR 8 HA THR 8 9.347 -0.507 7.403 66 HB THR 8 HB THR 8 10.314 -1.773 5.529 67 HG1 THR 8 HG1 THR 8 8.889 -1.769 3.936 68 HG21 THR 8 HG21 THR 8 8.224 -3.375 7.029 69 HG22 THR 8 HG22 THR 8 9.787 -2.897 7.692 70 HG23 THR 8 HG23 THR 8 9.712 -3.998 6.318 71 H MET 9 HN MET 9 6.878 0.324 5.131 72 HA MET 9 HA MET 9 8.677 2.300 3.865 73 HB2 MET 9 HB2 MET 9 6.047 1.162 2.890 74 HB3 MET 9 HB1 MET 9 7.000 2.385 2.048 75 HG2 MET 9 HG2 MET 9 8.886 0.825 1.871 76 HG3 MET 9 HG1 MET 9 7.978 -0.396 2.763 77 HE1 MET 9 HE1 MET 9 9.241 -1.029 -0.120 78 HE2 MET 9 HE2 MET 9 7.904 -2.051 -0.638 79 HE3 MET 9 HE3 MET 9 8.415 -2.069 1.047 80 H TYR 10 HN TYR 10 5.368 1.866 5.094 81 HA TYR 10 HA TYR 10 3.810 3.385 5.848 82 HB2 TYR 10 HB2 TYR 10 6.175 3.569 7.359 83 HB3 TYR 10 HB1 TYR 10 5.643 5.230 7.096 84 HD1 TYR 10 HD1 TYR 10 4.117 1.881 7.854 85 HD2 TYR 10 HD2 TYR 10 4.140 6.104 8.642 86 HE1 TYR 10 HE1 TYR 10 2.330 1.575 9.546 87 HE2 TYR 10 HE2 TYR 10 2.353 5.798 10.334 88 HH TYR 10 HH TYR 10 0.397 3.744 10.588 Start of MODEL 8 1 H1 LEU 1 HN LEU 1 6.129 3.983 4.659 2 HA LEU 1 HA LEU 1 4.426 5.524 4.478 3 HB2 LEU 1 HB2 LEU 1 6.967 6.913 4.134 4 HB3 LEU 1 HB1 LEU 1 5.630 7.763 3.361 5 HG LEU 1 HG LEU 1 4.333 7.633 5.457 6 HD11 LEU 1 HD11 LEU 1 5.646 6.930 7.529 7 HD12 LEU 1 HD12 LEU 1 6.828 6.221 6.429 8 HD13 LEU 1 HD13 LEU 1 5.171 5.621 6.449 9 HD21 LEU 1 HD21 LEU 1 5.791 9.587 5.044 10 HD22 LEU 1 HD22 LEU 1 7.133 8.751 5.822 11 HD23 LEU 1 HD23 LEU 1 5.715 9.211 6.765 12 H DGL 2 HN DGL 2 3.315 4.340 2.842 13 HA DGL 2 HA DGL 2 3.782 4.609 0.072 14 HB2 DGL 2 HB2 DGL 2 1.406 6.254 0.851 15 HB3 DGL 2 HB1 DGL 2 3.005 6.998 0.881 16 HG2 DGL 2 HG2 DGL 2 3.368 6.290 -1.462 17 HG3 DGL 2 HG1 DGL 2 1.753 5.585 -1.491 18 H DAR 3 HN DAR 3 3.235 2.424 1.506 19 HA DAR 3 HA DAR 3 0.566 1.666 0.536 20 HB2 DAR 3 HB2 DAR 3 0.090 0.486 2.657 21 HB3 DAR 3 HB1 DAR 3 1.562 1.167 3.351 22 HG2 DAR 3 HG2 DAR 3 0.673 3.450 2.937 23 HG3 DAR 3 HG1 DAR 3 -0.817 2.738 2.319 24 HD2 DAR 3 HD2 DAR 3 -1.214 1.653 4.488 25 HD3 DAR 3 HD1 DAR 3 0.295 2.315 5.107 26 HE DAR 3 HE DAR 3 -0.749 4.382 5.342 27 HH11 DAR 3 HH21 DAR 3 -2.564 5.722 5.368 28 HH12 DAR 3 HH22 DAR 3 -4.012 5.239 4.549 29 HH21 DAR 3 HH11 DAR 3 -2.722 2.229 3.431 30 HH22 DAR 3 HH12 DAR 3 -4.098 3.274 3.462 31 H ARG 4 HN ARG 4 3.744 0.731 1.740 32 HA ARG 4 HA ARG 4 3.514 -1.774 0.191 33 HB2 ARG 4 HB2 ARG 4 5.765 0.097 0.787 34 HB3 ARG 4 HB1 ARG 4 6.137 -1.614 0.579 35 HG2 ARG 4 HG2 ARG 4 6.308 -0.506 -1.582 36 HG3 ARG 4 HG1 ARG 4 4.899 -1.568 -1.596 37 HD2 ARG 4 HD2 ARG 4 3.397 0.260 -1.286 38 HD3 ARG 4 HD1 ARG 4 4.710 1.361 -0.878 39 HE ARG 4 HE ARG 4 5.209 0.416 -3.456 40 HH11 ARG 4 HH11 ARG 4 2.778 2.263 -1.770 41 HH12 ARG 4 HH12 ARG 4 2.341 3.186 -3.166 42 HH21 ARG 4 HH21 ARG 4 4.620 1.639 -5.263 43 HH22 ARG 4 HH22 ARG 4 3.375 2.837 -5.132 44 H TYR 5 HN TYR 5 2.994 -3.435 1.477 45 HA TYR 5 HA TYR 5 2.892 -4.819 3.318 46 HB2 TYR 5 HB2 TYR 5 5.265 -5.108 2.396 47 HB3 TYR 5 HB1 TYR 5 5.786 -4.072 3.725 48 HD1 TYR 5 HD1 TYR 5 4.162 -7.290 2.862 49 HD2 TYR 5 HD2 TYR 5 5.799 -4.857 6.002 50 HE1 TYR 5 HE1 TYR 5 4.091 -9.232 4.403 51 HE2 TYR 5 HE2 TYR 5 5.727 -6.798 7.543 52 HH TYR 5 HH TYR 5 5.684 -9.712 6.826 53 HA DPR 6 HA DPR 6 2.330 -2.444 6.978 54 HB2 DPR 6 HB2 DPR 6 0.053 -2.538 6.688 55 HB3 DPR 6 HB1 DPR 6 0.215 -0.791 6.433 56 HG2 DPR 6 HG2 DPR 6 -0.861 -2.428 4.596 57 HG3 DPR 6 HG1 DPR 6 0.040 -0.966 4.170 58 HD2 DPR 6 HD2 DPR 6 0.831 -3.801 3.856 59 HD3 DPR 6 HD1 DPR 6 1.428 -2.360 3.008 60 H ASP 7 HN ASP 7 4.476 -1.386 6.444 61 HA ASP 7 HA ASP 7 4.428 1.318 5.431 62 HB2 ASP 7 HB2 ASP 7 3.575 1.392 7.871 63 HB3 ASP 7 HB1 ASP 7 5.238 1.009 8.315 64 H THR 8 HN THR 8 6.378 -0.512 7.797 65 HA THR 8 HA THR 8 8.638 -0.952 7.858 66 HB THR 8 HB THR 8 8.569 -1.308 4.885 67 HG1 THR 8 HG1 THR 8 7.188 -2.819 6.838 68 HG21 THR 8 HG21 THR 8 9.965 -3.206 5.400 69 HG22 THR 8 HG22 THR 8 9.603 -3.069 7.120 70 HG23 THR 8 HG23 THR 8 10.575 -1.833 6.323 71 H MET 9 HN MET 9 8.142 1.770 7.777 72 HA MET 9 HA MET 9 9.140 3.795 7.316 73 HB2 MET 9 HB2 MET 9 11.501 2.036 6.606 74 HB3 MET 9 HB1 MET 9 11.562 3.751 7.011 75 HG2 MET 9 HG2 MET 9 10.636 1.528 8.857 76 HG3 MET 9 HG1 MET 9 12.174 2.383 8.964 77 HE1 MET 9 HE1 MET 9 11.466 5.844 10.072 78 HE2 MET 9 HE2 MET 9 11.316 5.513 8.348 79 HE3 MET 9 HE3 MET 9 12.535 4.666 9.296 80 H TYR 10 HN TYR 10 7.568 2.766 5.240 81 HA TYR 10 HA TYR 10 9.107 3.550 2.839 82 HB2 TYR 10 HB2 TYR 10 8.081 1.185 3.023 83 HB3 TYR 10 HB1 TYR 10 6.535 1.996 2.772 84 HD1 TYR 10 HD1 TYR 10 5.839 2.611 0.612 85 HD2 TYR 10 HD2 TYR 10 9.963 1.650 1.334 86 HE1 TYR 10 HE1 TYR 10 6.291 2.725 -1.825 87 HE2 TYR 10 HE2 TYR 10 10.415 1.761 -1.104 88 HH TYR 10 HH TYR 10 7.951 1.812 -3.429 Start of MODEL 9 1 H1 LEU 1 HN LEU 1 5.841 2.300 2.157 2 HA LEU 1 HA LEU 1 7.207 4.483 0.784 3 HB2 LEU 1 HB2 LEU 1 7.630 1.975 0.379 4 HB3 LEU 1 HB1 LEU 1 6.098 1.986 -0.492 5 HG LEU 1 HG LEU 1 7.014 3.893 -1.886 6 HD11 LEU 1 HD11 LEU 1 8.781 4.758 -0.551 7 HD12 LEU 1 HD12 LEU 1 9.589 3.945 -1.890 8 HD13 LEU 1 HD13 LEU 1 9.490 3.160 -0.314 9 HD21 LEU 1 HD21 LEU 1 6.980 1.532 -2.663 10 HD22 LEU 1 HD22 LEU 1 8.577 1.293 -1.955 11 HD23 LEU 1 HD23 LEU 1 8.367 2.413 -3.301 12 H DGL 2 HN DGL 2 4.764 5.280 1.821 13 HA DGL 2 HA DGL 2 3.528 6.512 -0.336 14 HB2 DGL 2 HB2 DGL 2 3.286 7.186 2.057 15 HB3 DGL 2 HB1 DGL 2 1.753 7.117 1.189 16 HG2 DGL 2 HG2 DGL 2 1.257 4.933 2.142 17 HG3 DGL 2 HG1 DGL 2 2.840 4.876 2.915 18 H DAR 3 HN DAR 3 2.833 3.396 1.161 19 HA DAR 3 HA DAR 3 1.724 2.200 -1.083 20 HB2 DAR 3 HB2 DAR 3 -0.726 2.345 0.274 21 HB3 DAR 3 HB1 DAR 3 -0.129 4.004 0.216 22 HG2 DAR 3 HG2 DAR 3 0.388 3.497 -2.282 23 HG3 DAR 3 HG1 DAR 3 -0.707 2.132 -2.074 24 HD2 DAR 3 HD2 DAR 3 -2.034 3.966 -2.871 25 HD3 DAR 3 HD1 DAR 3 -2.413 3.762 -1.163 26 HE DAR 3 HE DAR 3 -0.293 5.646 -1.554 27 HH11 DAR 3 HH21 DAR 3 -0.763 7.826 -1.192 28 HH12 DAR 3 HH22 DAR 3 -2.410 8.362 -1.143 29 HH21 DAR 3 HH11 DAR 3 -3.750 5.222 -1.719 30 HH22 DAR 3 HH12 DAR 3 -4.088 6.895 -1.440 31 H ARG 4 HN ARG 4 1.905 2.469 2.382 32 HA ARG 4 HA ARG 4 2.069 0.878 4.034 33 HB2 ARG 4 HB2 ARG 4 -0.361 0.659 3.431 34 HB3 ARG 4 HB1 ARG 4 0.083 -0.663 2.351 35 HG2 ARG 4 HG2 ARG 4 1.033 -1.915 4.232 36 HG3 ARG 4 HG1 ARG 4 0.665 -0.582 5.327 37 HD2 ARG 4 HD2 ARG 4 -1.087 -2.237 5.546 38 HD3 ARG 4 HD1 ARG 4 -1.757 -0.833 4.718 39 HE ARG 4 HE ARG 4 -0.768 -2.705 2.823 40 HH11 ARG 4 HH11 ARG 4 -3.372 -2.188 5.085 41 HH12 ARG 4 HH12 ARG 4 -4.496 -3.152 4.193 42 HH21 ARG 4 HH21 ARG 4 -2.258 -3.959 1.678 43 HH22 ARG 4 HH22 ARG 4 -3.873 -4.150 2.276 44 H TYR 5 HN TYR 5 4.138 0.123 3.874 45 HA TYR 5 HA TYR 5 4.514 -2.340 2.279 46 HB2 TYR 5 HB2 TYR 5 5.646 -0.359 1.247 47 HB3 TYR 5 HB1 TYR 5 6.609 -0.202 2.716 48 HD1 TYR 5 HD1 TYR 5 5.884 -2.347 -0.210 49 HD2 TYR 5 HD2 TYR 5 8.375 -1.770 3.242 50 HE1 TYR 5 HE1 TYR 5 7.452 -4.076 -1.051 51 HE2 TYR 5 HE2 TYR 5 9.941 -3.498 2.401 52 HH TYR 5 HH TYR 5 9.911 -4.628 -0.747 53 HA DPR 6 HA DPR 6 6.397 -4.121 5.857 54 HB2 DPR 6 HB2 DPR 6 5.005 -5.927 5.552 55 HB3 DPR 6 HB1 DPR 6 4.279 -5.346 7.063 56 HG2 DPR 6 HG2 DPR 6 2.838 -5.650 4.838 57 HG3 DPR 6 HG1 DPR 6 2.519 -4.347 5.994 58 HD2 DPR 6 HD2 DPR 6 3.730 -4.191 3.286 59 HD3 DPR 6 HD1 DPR 6 2.856 -2.948 4.206 60 H ASP 7 HN ASP 7 3.965 -1.728 6.220 61 HA ASP 7 HA ASP 7 3.594 -0.158 7.857 62 HB2 ASP 7 HB2 ASP 7 2.442 -2.223 8.773 63 HB3 ASP 7 HB1 ASP 7 3.880 -2.490 9.758 64 H THR 8 HN THR 8 6.282 -0.368 7.033 65 HA THR 8 HA THR 8 7.602 0.628 9.452 66 HB THR 8 HB THR 8 8.808 -1.504 7.670 67 HG1 THR 8 HG1 THR 8 8.094 -1.547 10.413 68 HG21 THR 8 HG21 THR 8 10.467 0.133 8.435 69 HG22 THR 8 HG22 THR 8 10.687 -1.400 9.277 70 HG23 THR 8 HG23 THR 8 9.900 -0.050 10.095 71 H MET 9 HN MET 9 8.468 -0.204 6.091 72 HA MET 9 HA MET 9 10.126 2.054 5.707 73 HB2 MET 9 HB2 MET 9 8.740 0.212 3.752 74 HB3 MET 9 HB1 MET 9 9.864 1.479 3.261 75 HG2 MET 9 HG2 MET 9 11.628 0.478 4.648 76 HG3 MET 9 HG1 MET 9 10.508 -0.772 5.188 77 HE1 MET 9 HE1 MET 9 13.339 -1.187 3.921 78 HE2 MET 9 HE2 MET 9 13.087 -2.540 2.821 79 HE3 MET 9 HE3 MET 9 12.336 -2.559 4.414 80 H TYR 10 HN TYR 10 6.713 1.446 4.989 81 HA TYR 10 HA TYR 10 5.003 2.853 4.381 82 HB2 TYR 10 HB2 TYR 10 6.834 4.627 5.949 83 HB3 TYR 10 HB1 TYR 10 5.463 5.343 5.101 84 HD1 TYR 10 HD1 TYR 10 6.441 2.814 7.645 85 HD2 TYR 10 HD2 TYR 10 3.220 5.028 5.864 86 HE1 TYR 10 HE1 TYR 10 4.922 2.054 9.450 87 HE2 TYR 10 HE2 TYR 10 1.699 4.266 7.670 88 HH TYR 10 HH TYR 10 1.527 2.452 9.282 Start of MODEL 10 1 H1 LEU 1 HN LEU 1 6.291 2.226 2.180 2 HA LEU 1 HA LEU 1 7.818 4.331 1.027 3 HB2 LEU 1 HB2 LEU 1 7.126 1.790 0.259 4 HB3 LEU 1 HB1 LEU 1 6.130 2.776 -0.811 5 HG LEU 1 HG LEU 1 9.041 3.433 -0.417 6 HD11 LEU 1 HD11 LEU 1 8.957 1.055 -1.052 7 HD12 LEU 1 HD12 LEU 1 9.547 2.034 -2.395 8 HD13 LEU 1 HD13 LEU 1 7.884 1.445 -2.396 9 HD21 LEU 1 HD21 LEU 1 8.668 4.227 -2.812 10 HD22 LEU 1 HD22 LEU 1 7.768 5.105 -1.577 11 HD23 LEU 1 HD23 LEU 1 6.954 3.891 -2.565 12 H DGL 2 HN DGL 2 4.364 3.489 0.837 13 HA DGL 2 HA DGL 2 3.533 5.565 -0.834 14 HB2 DGL 2 HB2 DGL 2 4.251 7.211 0.701 15 HB3 DGL 2 HB1 DGL 2 2.520 7.062 0.989 16 HG2 DGL 2 HG2 DGL 2 3.003 5.488 2.867 17 HG3 DGL 2 HG1 DGL 2 4.724 5.752 2.608 18 H DAR 3 HN DAR 3 2.311 3.636 -1.368 19 HA DAR 3 HA DAR 3 0.372 2.410 -1.403 20 HB2 DAR 3 HB2 DAR 3 -1.616 3.434 -0.683 21 HB3 DAR 3 HB1 DAR 3 -0.807 4.294 0.626 22 HG2 DAR 3 HG2 DAR 3 -1.373 5.813 -1.246 23 HG3 DAR 3 HG1 DAR 3 0.369 5.710 -1.014 24 HD2 DAR 3 HD2 DAR 3 -0.584 3.639 -2.818 25 HD3 DAR 3 HD1 DAR 3 -1.023 5.243 -3.395 26 HE DAR 3 HE DAR 3 1.663 5.339 -2.605 27 HH11 DAR 3 HH21 DAR 3 3.307 5.169 -4.144 28 HH12 DAR 3 HH22 DAR 3 2.988 4.431 -5.678 29 HH21 DAR 3 HH11 DAR 3 -0.337 3.758 -4.986 30 HH22 DAR 3 HH12 DAR 3 0.937 3.639 -6.150 31 H ARG 4 HN ARG 4 1.298 0.601 -0.418 32 HA ARG 4 HA ARG 4 0.961 0.373 2.503 33 HB2 ARG 4 HB2 ARG 4 -0.032 -1.585 0.419 34 HB3 ARG 4 HB1 ARG 4 0.089 -1.953 2.140 35 HG2 ARG 4 HG2 ARG 4 -1.423 -0.075 2.657 36 HG3 ARG 4 HG1 ARG 4 -1.541 0.305 0.938 37 HD2 ARG 4 HD2 ARG 4 -2.496 -1.931 0.510 38 HD3 ARG 4 HD1 ARG 4 -2.382 -2.308 2.226 39 HE ARG 4 HE ARG 4 -3.856 0.073 1.933 40 HH11 ARG 4 HH11 ARG 4 -4.088 -3.334 1.223 41 HH12 ARG 4 HH12 ARG 4 -5.813 -3.361 1.333 42 HH21 ARG 4 HH21 ARG 4 -6.111 0.009 2.071 43 HH22 ARG 4 HH22 ARG 4 -6.954 -1.482 1.810 44 H TYR 5 HN TYR 5 2.731 -0.418 3.457 45 HA TYR 5 HA TYR 5 4.423 -2.350 2.080 46 HB2 TYR 5 HB2 TYR 5 5.237 -0.035 1.425 47 HB3 TYR 5 HB1 TYR 5 5.645 0.210 3.124 48 HD1 TYR 5 HD1 TYR 5 6.373 -1.799 0.101 49 HD2 TYR 5 HD2 TYR 5 7.515 -0.926 4.148 50 HE1 TYR 5 HE1 TYR 5 8.498 -3.034 -0.232 51 HE2 TYR 5 HE2 TYR 5 9.639 -2.162 3.816 52 HH TYR 5 HH TYR 5 11.112 -2.764 1.768 53 HA DPR 6 HA DPR 6 4.947 -4.255 5.988 54 HB2 DPR 6 HB2 DPR 6 3.016 -5.327 6.685 55 HB3 DPR 6 HB1 DPR 6 2.031 -3.858 6.543 56 HG2 DPR 6 HG2 DPR 6 2.860 -5.790 4.449 57 HG3 DPR 6 HG1 DPR 6 1.349 -4.882 4.620 58 HD2 DPR 6 HD2 DPR 6 3.424 -4.191 2.896 59 HD3 DPR 6 HD1 DPR 6 2.166 -3.075 3.469 60 H ASP 7 HN ASP 7 5.864 -3.321 7.721 61 HA ASP 7 HA ASP 7 4.941 -0.690 8.601 62 HB2 ASP 7 HB2 ASP 7 3.671 -2.253 10.007 63 HB3 ASP 7 HB1 ASP 7 5.170 -3.049 10.484 64 H THR 8 HN THR 8 6.892 0.183 7.911 65 HA THR 8 HA THR 8 9.096 -0.145 9.735 66 HB THR 8 HB THR 8 9.555 -0.883 6.835 67 HG1 THR 8 HG1 THR 8 9.393 -2.437 9.196 68 HG21 THR 8 HG21 THR 8 11.805 -1.318 7.493 69 HG22 THR 8 HG22 THR 8 11.406 -1.177 9.205 70 HG23 THR 8 HG23 THR 8 11.409 0.257 8.179 71 H MET 9 HN MET 9 9.024 0.873 6.313 72 HA MET 9 HA MET 9 9.708 3.599 7.230 73 HB2 MET 9 HB2 MET 9 10.491 2.109 4.721 74 HB3 MET 9 HB1 MET 9 10.756 3.838 4.949 75 HG2 MET 9 HG2 MET 9 12.012 3.283 7.065 76 HG3 MET 9 HG1 MET 9 11.889 1.581 6.621 77 HE1 MET 9 HE1 MET 9 14.015 0.983 3.694 78 HE2 MET 9 HE2 MET 9 12.352 1.487 3.401 79 HE3 MET 9 HE3 MET 9 12.728 0.487 4.802 80 H TYR 10 HN TYR 10 7.445 1.687 5.473 81 HA TYR 10 HA TYR 10 5.556 2.213 4.275 82 HB2 TYR 10 HB2 TYR 10 5.888 4.697 5.958 83 HB3 TYR 10 HB1 TYR 10 4.512 4.456 4.882 84 HD1 TYR 10 HD1 TYR 10 6.192 3.311 7.951 85 HD2 TYR 10 HD2 TYR 10 2.858 2.708 5.311 86 HE1 TYR 10 HE1 TYR 10 5.088 1.900 9.666 87 HE2 TYR 10 HE2 TYR 10 1.754 1.298 7.025 88 HH TYR 10 HH TYR 10 2.512 -0.118 9.004
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