NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11063 | 1qvl | 6041 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 1 H ARG 1 -0.323 0.796 3.057 2 HA ARG 1 HA ARG 1 1.995 0.451 4.721 3 1HB ARG 1 HB2 ARG 1 -0.912 -0.346 5.148 4 2HB ARG 1 HB3 ARG 1 0.353 -0.167 6.381 5 1HG ARG 1 HG2 ARG 1 0.593 2.263 5.636 6 2HG ARG 1 HG3 ARG 1 -0.849 2.047 4.632 7 1HD ARG 1 HD2 ARG 1 -0.695 1.691 7.622 8 2HD ARG 1 HD3 ARG 1 -1.339 3.106 6.757 9 HE ARG 1 HE ARG 1 -2.608 0.482 7.133 10 1HH1 ARG 1 1HH1 ARG 1 -2.787 3.593 5.390 11 2HH1 ARG 1 2HH1 ARG 1 -4.486 3.397 5.021 12 1HH2 ARG 1 1HH2 ARG 1 -4.795 0.282 6.636 13 2HH2 ARG 1 2HH2 ARG 1 -5.619 1.527 5.723 14 H ARG 2 H ARG 2 -0.485 -1.835 3.427 15 HA ARG 2 HA ARG 2 0.834 -4.123 4.482 16 1HB ARG 2 HB2 ARG 2 -1.310 -4.075 2.330 17 2HB ARG 2 HB3 ARG 2 -0.974 -5.332 3.518 18 1HG ARG 2 HG2 ARG 2 -1.695 -3.701 5.328 19 2HG ARG 2 HG3 ARG 2 -2.130 -2.552 4.050 20 1HD ARG 2 HD2 ARG 2 -4.137 -3.639 4.720 21 2HD ARG 2 HD3 ARG 2 -3.716 -4.212 3.103 22 HE ARG 2 HE ARG 2 -3.275 -6.325 3.928 23 1HH1 ARG 2 1HH1 ARG 2 -3.817 -4.150 6.706 24 2HH1 ARG 2 2HH1 ARG 2 -3.944 -5.471 7.847 25 1HH2 ARG 2 1HH2 ARG 2 -3.480 -8.002 5.442 26 2HH2 ARG 2 2HH2 ARG 2 -3.752 -7.642 7.133 27 H TRP 3 H TRP 3 1.099 -2.419 1.401 28 HA TRP 3 HA TRP 3 3.133 -4.001 0.257 29 1HB TRP 3 HB2 TRP 3 1.726 -4.735 -1.681 30 2HB TRP 3 HB3 TRP 3 1.544 -5.607 -0.197 31 HD1 TRP 3 HD1 TRP 3 -0.456 -6.563 -1.609 32 HE1 TRP 3 HE1 TRP 3 -2.933 -6.099 -1.420 33 HE3 TRP 3 HE3 TRP 3 -0.308 -1.775 0.397 34 HZ2 TRP 3 HZ2 TRP 3 -4.648 -4.003 -0.473 35 HZ3 TRP 3 HZ3 TRP 3 -2.381 -0.654 0.971 36 HH2 TRP 3 HH2 TRP 3 -4.572 -1.735 0.554 37 H TRP 4 H TRP 4 3.202 -3.244 -2.207 38 HA TRP 4 HA TRP 4 3.757 -1.596 -3.591 39 1HB TRP 4 HB2 TRP 4 1.318 -2.237 -3.848 40 2HB TRP 4 HB3 TRP 4 0.889 -0.760 -3.022 41 HD1 TRP 4 HD1 TRP 4 3.281 -1.514 -5.995 42 HE1 TRP 4 HE1 TRP 4 2.833 0.128 -7.884 43 HE3 TRP 4 HE3 TRP 4 -0.546 1.137 -3.858 44 HZ2 TRP 4 HZ2 TRP 4 1.055 2.357 -8.411 45 HZ3 TRP 4 HZ3 TRP 4 -1.592 3.018 -5.081 46 HH2 TRP 4 HH2 TRP 4 -0.800 3.640 -7.349 47 H ARG 5 H ARG 5 1.950 1.152 -3.231 48 HA ARG 5 HA ARG 5 4.108 2.694 -2.072 49 1HB ARG 5 HB2 ARG 5 1.354 3.409 -3.161 50 2HB ARG 5 HB3 ARG 5 2.557 4.584 -2.610 51 1HG ARG 5 HG2 ARG 5 4.174 3.730 -4.297 52 2HG ARG 5 HG3 ARG 5 2.942 2.607 -4.898 53 1HD ARG 5 HD2 ARG 5 1.464 4.554 -5.420 54 2HD ARG 5 HD3 ARG 5 2.760 5.642 -4.886 55 HE ARG 5 HE ARG 5 3.510 3.676 -6.926 56 1HH1 ARG 5 1HH2 ARG 5 2.396 7.023 -6.390 57 2HH1 ARG 5 2HH2 ARG 5 2.941 7.561 -7.963 58 1HH2 ARG 5 1HH1 ARG 5 4.184 4.418 -8.953 59 2HH2 ARG 5 2HH1 ARG 5 3.950 6.091 -9.409 60 H PHE 6 H PHE 6 1.342 1.068 -0.746 61 HA PHE 6 HA PHE 6 1.098 2.916 1.506 62 1HB PHE 6 HB2 PHE 6 -0.832 0.988 0.235 63 2HB PHE 6 HB3 PHE 6 -1.149 1.823 1.760 64 HD1 PHE 6 HD1 PHE 6 -0.974 2.233 -1.885 65 HD2 PHE 6 HD2 PHE 6 -1.249 4.315 1.882 66 HE1 PHE 6 HE1 PHE 6 -1.630 4.312 -3.072 67 HE2 PHE 6 HE2 PHE 6 -1.908 6.383 0.688 68 HZ PHE 6 HZ PHE 6 -2.091 6.389 -1.791 Start of MODEL 2 1 H ARG 1 H ARG 1 -0.170 1.115 3.339 2 HA ARG 1 HA ARG 1 1.974 0.238 4.916 3 1HB ARG 1 HB2 ARG 1 -0.970 -0.545 5.075 4 2HB ARG 1 HB3 ARG 1 0.214 -0.755 6.364 5 1HG ARG 1 HG2 ARG 1 -0.754 1.884 5.192 6 2HG ARG 1 HG3 ARG 1 -1.310 1.127 6.687 7 1HD ARG 1 HD2 ARG 1 1.025 1.251 7.589 8 2HD ARG 1 HD3 ARG 1 1.507 2.159 6.143 9 HE ARG 1 HE ARG 1 -0.414 3.747 6.846 10 1HH1 ARG 1 1HH1 ARG 1 1.672 2.071 9.214 11 2HH1 ARG 1 2HH1 ARG 1 1.453 3.311 10.427 12 1HH2 ARG 1 1HH2 ARG 1 -0.639 5.329 8.444 13 2HH2 ARG 1 2HH2 ARG 1 0.153 5.144 9.993 14 H ARG 2 H ARG 2 -0.534 -1.908 3.471 15 HA ARG 2 HA ARG 2 0.793 -4.258 4.332 16 1HB ARG 2 HB2 ARG 2 -1.230 -4.337 2.099 17 2HB ARG 2 HB3 ARG 2 -1.003 -5.427 3.461 18 1HG ARG 2 HG2 ARG 2 -1.883 -3.498 4.948 19 2HG ARG 2 HG3 ARG 2 -2.299 -2.676 3.431 20 1HD ARG 2 HD2 ARG 2 -4.288 -3.718 4.055 21 2HD ARG 2 HD3 ARG 2 -3.627 -4.776 2.809 22 HE ARG 2 HE ARG 2 -2.919 -6.332 4.520 23 1HH1 ARG 2 1HH1 ARG 2 -5.111 -3.797 5.760 24 2HH1 ARG 2 2HH1 ARG 2 -5.525 -4.723 7.186 25 1HH2 ARG 2 1HH2 ARG 2 -3.486 -7.474 6.382 26 2HH2 ARG 2 2HH2 ARG 2 -4.611 -6.790 7.534 27 H TRP 3 H TRP 3 1.040 -2.374 1.369 28 HA TRP 3 HA TRP 3 3.088 -3.924 0.147 29 1HB TRP 3 HB2 TRP 3 1.727 -4.555 -1.835 30 2HB TRP 3 HB3 TRP 3 1.406 -5.464 -0.396 31 HD1 TRP 3 HD1 TRP 3 -0.505 -6.125 -2.225 32 HE1 TRP 3 HE1 TRP 3 -2.963 -5.562 -2.163 33 HE3 TRP 3 HE3 TRP 3 -0.324 -1.734 0.520 34 HZ2 TRP 3 HZ2 TRP 3 -4.671 -3.539 -1.024 35 HZ3 TRP 3 HZ3 TRP 3 -2.384 -0.594 1.110 36 HH2 TRP 3 HH2 TRP 3 -4.580 -1.466 0.356 37 H TRP 4 H TRP 4 3.321 -3.089 -2.149 38 HA TRP 4 HA TRP 4 3.943 -1.378 -3.492 39 1HB TRP 4 HB2 TRP 4 1.568 -2.221 -3.864 40 2HB TRP 4 HB3 TRP 4 0.993 -0.750 -3.138 41 HD1 TRP 4 HD1 TRP 4 3.506 -1.570 -5.999 42 HE1 TRP 4 HE1 TRP 4 2.970 -0.117 -8.016 43 HE3 TRP 4 HE3 TRP 4 -0.332 1.148 -3.993 44 HZ2 TRP 4 HZ2 TRP 4 0.989 1.886 -8.747 45 HZ3 TRP 4 HZ3 TRP 4 -1.576 2.776 -5.402 46 HH2 TRP 4 HH2 TRP 4 -0.922 3.151 -7.769 47 H ARG 5 H ARG 5 1.797 1.146 -3.104 48 HA ARG 5 HA ARG 5 3.829 2.928 -2.072 49 1HB ARG 5 HB2 ARG 5 0.982 3.320 -3.083 50 2HB ARG 5 HB3 ARG 5 2.013 4.649 -2.518 51 1HG ARG 5 HG2 ARG 5 3.745 4.044 -4.153 52 2HG ARG 5 HG3 ARG 5 2.732 2.710 -4.740 53 1HD ARG 5 HD2 ARG 5 1.004 4.434 -5.391 54 2HD ARG 5 HD3 ARG 5 2.206 5.681 -5.002 55 HE ARG 5 HE ARG 5 2.750 3.454 -6.918 56 1HH1 ARG 5 1HH2 ARG 5 2.779 6.976 -6.338 57 2HH1 ARG 5 2HH2 ARG 5 3.644 7.303 -7.824 58 1HH2 ARG 5 1HH1 ARG 5 3.836 3.930 -8.816 59 2HH2 ARG 5 2HH1 ARG 5 4.240 5.582 -9.224 60 H PHE 6 H PHE 6 1.201 1.166 -0.594 61 HA PHE 6 HA PHE 6 1.231 2.914 1.781 62 1HB PHE 6 HB2 PHE 6 -0.941 1.229 0.521 63 2HB PHE 6 HB3 PHE 6 -1.094 1.978 2.106 64 HD1 PHE 6 HD1 PHE 6 -1.109 4.420 2.416 65 HD2 PHE 6 HD2 PHE 6 -1.042 2.657 -1.523 66 HE1 PHE 6 HE1 PHE 6 -1.725 6.604 1.425 67 HE2 PHE 6 HE2 PHE 6 -1.647 4.851 -2.506 68 HZ PHE 6 HZ PHE 6 -1.985 6.831 -1.035 Start of MODEL 3 1 H ARG 1 H ARG 1 0.069 1.314 3.169 2 HA ARG 1 HA ARG 1 2.131 0.610 4.903 3 1HB ARG 1 HB2 ARG 1 -0.831 -0.086 4.970 4 2HB ARG 1 HB3 ARG 1 0.265 -0.205 6.352 5 1HG ARG 1 HG2 ARG 1 0.634 2.196 6.366 6 2HG ARG 1 HG3 ARG 1 -0.273 2.417 4.865 7 1HD ARG 1 HD2 ARG 1 -1.462 1.362 7.456 8 2HD ARG 1 HD3 ARG 1 -1.578 3.033 6.891 9 HE ARG 1 HE ARG 1 -3.007 0.680 5.867 10 1HH1 ARG 1 1HH2 ARG 1 -2.246 4.115 5.266 11 2HH1 ARG 1 2HH2 ARG 1 -3.534 4.294 4.096 12 1HH2 ARG 1 1HH1 ARG 1 -4.638 0.958 4.336 13 2HH2 ARG 1 2HH1 ARG 1 -4.883 2.512 3.573 14 H ARG 2 H ARG 2 -0.383 -1.718 3.756 15 HA ARG 2 HA ARG 2 1.100 -3.980 4.672 16 1HB ARG 2 HB2 ARG 2 -1.286 -3.973 2.806 17 2HB ARG 2 HB3 ARG 2 -0.694 -5.287 3.826 18 1HG ARG 2 HG2 ARG 2 -1.083 -3.629 5.806 19 2HG ARG 2 HG3 ARG 2 -2.072 -2.711 4.649 20 1HD ARG 2 HD2 ARG 2 -2.453 -5.613 5.464 21 2HD ARG 2 HD3 ARG 2 -3.410 -4.243 6.039 22 HE ARG 2 HE ARG 2 -3.364 -5.397 3.303 23 1HH1 ARG 2 1HH1 ARG 2 -4.918 -3.120 5.566 24 2HH1 ARG 2 2HH1 ARG 2 -6.412 -3.058 4.657 25 1HH2 ARG 2 1HH2 ARG 2 -5.378 -5.350 2.198 26 2HH2 ARG 2 2HH2 ARG 2 -6.669 -4.313 2.764 27 H TRP 3 H TRP 3 0.835 -2.354 1.506 28 HA TRP 3 HA TRP 3 2.824 -3.916 0.227 29 1HB TRP 3 HB2 TRP 3 1.274 -4.842 -1.500 30 2HB TRP 3 HB3 TRP 3 1.305 -5.625 0.047 31 HD1 TRP 3 HD1 TRP 3 -0.761 -6.803 -1.066 32 HE1 TRP 3 HE1 TRP 3 -3.222 -6.488 -0.576 33 HE3 TRP 3 HE3 TRP 3 -0.699 -1.919 0.661 34 HZ2 TRP 3 HZ2 TRP 3 -4.987 -4.367 0.209 35 HZ3 TRP 3 HZ3 TRP 3 -2.771 -0.899 1.438 36 HH2 TRP 3 HH2 TRP 3 -4.940 -2.067 1.168 37 H TRP 4 H TRP 4 2.754 -3.337 -2.186 38 HA TRP 4 HA TRP 4 3.303 -1.784 -3.647 39 1HB TRP 4 HB2 TRP 4 0.764 -2.017 -3.765 40 2HB TRP 4 HB3 TRP 4 0.639 -0.504 -2.912 41 HD1 TRP 4 HD1 TRP 4 2.804 -1.504 -5.986 42 HE1 TRP 4 HE1 TRP 4 2.566 0.267 -7.792 43 HE3 TRP 4 HE3 TRP 4 -0.579 1.557 -3.661 44 HZ2 TRP 4 HZ2 TRP 4 1.119 2.754 -8.185 45 HZ3 TRP 4 HZ3 TRP 4 -1.359 3.628 -4.778 46 HH2 TRP 4 HH2 TRP 4 -0.516 4.237 -7.029 47 H ARG 5 H ARG 5 2.062 1.234 -3.229 48 HA ARG 5 HA ARG 5 4.436 2.338 -2.015 49 1HB ARG 5 HB2 ARG 5 1.813 3.540 -3.002 50 2HB ARG 5 HB3 ARG 5 3.219 4.471 -2.468 51 1HG ARG 5 HG2 ARG 5 4.599 3.456 -4.262 52 2HG ARG 5 HG3 ARG 5 3.198 2.525 -4.819 53 1HD ARG 5 HD2 ARG 5 1.972 4.676 -5.216 54 2HD ARG 5 HD3 ARG 5 3.452 5.555 -4.782 55 HE ARG 5 HE ARG 5 3.956 3.583 -6.815 56 1HH1 ARG 5 2HH2 ARG 5 2.587 6.849 -6.411 57 2HH1 ARG 5 1HH2 ARG 5 2.906 7.299 -8.070 58 1HH2 ARG 5 1HH1 ARG 5 4.346 4.208 -8.956 59 2HH2 ARG 5 2HH1 ARG 5 3.900 5.806 -9.508 60 H PHE 6 H PHE 6 1.311 1.240 -0.818 61 HA PHE 6 HA PHE 6 1.294 2.938 1.518 62 1HB PHE 6 HB2 PHE 6 -0.605 0.774 0.568 63 2HB PHE 6 HB3 PHE 6 -0.924 1.966 1.824 64 HD1 PHE 6 HD1 PHE 6 -2.037 1.217 -1.244 65 HD2 PHE 6 HD2 PHE 6 -0.129 4.540 0.752 66 HE1 PHE 6 HE1 PHE 6 -3.029 2.785 -2.882 67 HE2 PHE 6 HE2 PHE 6 -1.106 6.090 -0.904 68 HZ PHE 6 HZ PHE 6 -2.561 5.221 -2.725 Start of MODEL 4 1 H ARG 1 H ARG 1 -0.303 0.899 3.124 2 HA ARG 1 HA ARG 1 1.728 0.481 4.990 3 1HB ARG 1 HB2 ARG 1 -1.139 -0.519 4.936 4 2HB ARG 1 HB3 ARG 1 -0.064 -0.424 6.344 5 1HG ARG 1 HG2 ARG 1 0.143 2.088 5.838 6 2HG ARG 1 HG3 ARG 1 -1.188 1.888 4.688 7 1HD ARG 1 HD2 ARG 1 -1.260 1.252 7.647 8 2HD ARG 1 HD3 ARG 1 -1.920 2.707 6.868 9 HE ARG 1 HE ARG 1 -3.497 1.261 5.654 10 1HH1 ARG 1 1HH2 ARG 1 -2.198 -0.013 8.723 11 2HH1 ARG 1 2HH2 ARG 1 -3.585 -1.049 8.980 12 1HH2 ARG 1 1HH1 ARG 1 -5.237 -0.101 6.020 13 2HH2 ARG 1 2HH1 ARG 1 -5.298 -1.097 7.456 14 H ARG 2 H ARG 2 -0.461 -1.974 3.547 15 HA ARG 2 HA ARG 2 1.094 -4.138 4.557 16 1HB ARG 2 HB2 ARG 2 -1.245 -4.171 2.607 17 2HB ARG 2 HB3 ARG 2 -0.706 -5.474 3.672 18 1HG ARG 2 HG2 ARG 2 -1.260 -3.959 5.648 19 2HG ARG 2 HG3 ARG 2 -1.941 -2.799 4.497 20 1HD ARG 2 HD2 ARG 2 -3.760 -4.042 5.392 21 2HD ARG 2 HD3 ARG 2 -3.543 -4.521 3.705 22 HE ARG 2 HE ARG 2 -2.887 -6.632 4.356 23 1HH1 ARG 2 1HH1 ARG 2 -3.027 -4.596 7.282 24 2HH1 ARG 2 2HH1 ARG 2 -2.879 -5.959 8.367 25 1HH2 ARG 2 1HH2 ARG 2 -2.739 -8.375 5.807 26 2HH2 ARG 2 2HH2 ARG 2 -2.715 -8.093 7.533 27 H TRP 3 H TRP 3 1.024 -2.429 1.477 28 HA TRP 3 HA TRP 3 3.092 -3.940 0.249 29 1HB TRP 3 HB2 TRP 3 1.625 -4.716 -1.665 30 2HB TRP 3 HB3 TRP 3 1.647 -5.626 -0.191 31 HD1 TRP 3 HD1 TRP 3 -0.379 -6.822 -1.226 32 HE1 TRP 3 HE1 TRP 3 -2.867 -6.515 -0.890 33 HE3 TRP 3 HE3 TRP 3 -0.457 -1.867 0.284 34 HZ2 TRP 3 HZ2 TRP 3 -4.668 -4.473 0.013 35 HZ3 TRP 3 HZ3 TRP 3 -2.569 -0.829 0.901 36 HH2 TRP 3 HH2 TRP 3 -4.694 -2.106 0.788 37 H TRP 4 H TRP 4 3.089 -3.223 -2.213 38 HA TRP 4 HA TRP 4 3.615 -1.584 -3.601 39 1HB TRP 4 HB2 TRP 4 1.129 -2.123 -3.788 40 2HB TRP 4 HB3 TRP 4 0.799 -0.619 -2.972 41 HD1 TRP 4 HD1 TRP 4 3.172 -1.446 -5.944 42 HE1 TRP 4 HE1 TRP 4 2.770 0.197 -7.838 43 HE3 TRP 4 HE3 TRP 4 -0.632 1.283 -3.847 44 HZ2 TRP 4 HZ2 TRP 4 1.020 2.437 -8.402 45 HZ3 TRP 4 HZ3 TRP 4 -1.648 3.161 -5.110 46 HH2 TRP 4 HH2 TRP 4 -0.832 3.748 -7.371 47 H ARG 5 H ARG 5 1.913 1.215 -3.151 48 HA ARG 5 HA ARG 5 4.141 2.672 -2.017 49 1HB ARG 5 HB2 ARG 5 1.360 3.473 -2.982 50 2HB ARG 5 HB3 ARG 5 2.615 4.607 -2.463 51 1HG ARG 5 HG2 ARG 5 4.129 3.761 -4.247 52 2HG ARG 5 HG3 ARG 5 2.851 2.670 -4.809 53 1HD ARG 5 HD2 ARG 5 1.384 4.639 -5.241 54 2HD ARG 5 HD3 ARG 5 2.705 5.709 -4.730 55 HE ARG 5 HE ARG 5 3.510 3.852 -6.800 56 1HH1 ARG 5 1HH2 ARG 5 1.884 6.989 -6.317 57 2HH1 ARG 5 2HH2 ARG 5 2.279 7.553 -7.925 58 1HH2 ARG 5 1HH1 ARG 5 3.997 4.626 -8.866 59 2HH2 ARG 5 2HH1 ARG 5 3.472 6.217 -9.365 60 H PHE 6 H PHE 6 1.311 1.131 -0.700 61 HA PHE 6 HA PHE 6 1.183 2.889 1.620 62 1HB PHE 6 HB2 PHE 6 -0.797 0.927 0.457 63 2HB PHE 6 HB3 PHE 6 -1.092 1.982 1.839 64 HD1 PHE 6 HD1 PHE 6 -1.805 1.721 -1.542 65 HD2 PHE 6 HD2 PHE 6 -0.277 4.594 1.300 66 HE1 PHE 6 HE1 PHE 6 -2.473 3.579 -3.036 67 HE2 PHE 6 HE2 PHE 6 -0.910 6.434 -0.223 68 HZ PHE 6 HZ PHE 6 -2.004 5.933 -2.398 Start of MODEL 5 1 H ARG 1 H ARG 1 -0.403 1.121 2.990 2 HA ARG 1 HA ARG 1 1.325 0.411 4.980 3 1HB ARG 1 HB2 ARG 1 -1.569 -0.275 4.439 4 2HB ARG 1 HB3 ARG 1 -0.724 -0.896 5.850 5 1HG ARG 1 HG2 ARG 1 -1.810 1.057 6.587 6 2HG ARG 1 HG3 ARG 1 -0.088 1.391 6.520 7 1HD ARG 1 HD2 ARG 1 -0.796 3.328 5.628 8 2HD ARG 1 HD3 ARG 1 -0.769 2.462 4.111 9 HE ARG 1 HE ARG 1 -3.007 3.457 5.611 10 1HH1 ARG 1 1HH2 ARG 1 -2.250 1.017 3.120 11 2HH1 ARG 1 2HH2 ARG 1 -3.858 1.084 2.432 12 1HH2 ARG 1 1HH1 ARG 1 -5.050 3.535 4.651 13 2HH2 ARG 1 2HH1 ARG 1 -5.431 2.499 3.294 14 H ARG 2 H ARG 2 -0.665 -2.023 3.236 15 HA ARG 2 HA ARG 2 0.703 -4.266 4.343 16 1HB ARG 2 HB2 ARG 2 -1.104 -4.047 1.898 17 2HB ARG 2 HB3 ARG 2 -0.702 -5.538 2.742 18 1HG ARG 2 HG2 ARG 2 -1.952 -4.856 4.681 19 2HG ARG 2 HG3 ARG 2 -2.159 -3.209 4.052 20 1HD ARG 2 HD2 ARG 2 -4.221 -4.528 3.772 21 2HD ARG 2 HD3 ARG 2 -3.549 -3.967 2.234 22 HE ARG 2 HE ARG 2 -2.611 -6.610 2.859 23 1HH1 ARG 2 1HH2 ARG 2 -5.480 -4.900 1.615 24 2HH1 ARG 2 2HH2 ARG 2 -6.035 -6.282 0.697 25 1HH2 ARG 2 1HH1 ARG 2 -3.365 -8.376 1.646 26 2HH2 ARG 2 2HH1 ARG 2 -4.840 -8.242 0.715 27 H TRP 3 H TRP 3 1.055 -2.446 1.383 28 HA TRP 3 HA TRP 3 3.371 -3.830 0.368 29 1HB TRP 3 HB2 TRP 3 2.257 -4.741 -1.666 30 2HB TRP 3 HB3 TRP 3 1.929 -5.567 -0.184 31 HD1 TRP 3 HD1 TRP 3 0.220 -6.663 -1.907 32 HE1 TRP 3 HE1 TRP 3 -2.286 -6.351 -2.081 33 HE3 TRP 3 HE3 TRP 3 -0.232 -1.898 0.103 34 HZ2 TRP 3 HZ2 TRP 3 -4.253 -4.403 -1.355 35 HZ3 TRP 3 HZ3 TRP 3 -2.436 -0.923 0.393 36 HH2 TRP 3 HH2 TRP 3 -4.473 -2.146 -0.324 37 H TRP 4 H TRP 4 3.470 -3.163 -2.155 38 HA TRP 4 HA TRP 4 3.907 -1.529 -3.626 39 1HB TRP 4 HB2 TRP 4 1.501 -2.245 -3.832 40 2HB TRP 4 HB3 TRP 4 1.026 -0.808 -2.959 41 HD1 TRP 4 HD1 TRP 4 3.213 -1.493 -6.104 42 HE1 TRP 4 HE1 TRP 4 2.516 0.086 -7.972 43 HE3 TRP 4 HE3 TRP 4 -0.405 1.144 -3.611 44 HZ2 TRP 4 HZ2 TRP 4 0.564 2.197 -8.381 45 HZ3 TRP 4 HZ3 TRP 4 -1.667 2.926 -4.776 46 HH2 TRP 4 HH2 TRP 4 -1.199 3.458 -7.152 47 H ARG 5 H ARG 5 2.037 1.170 -3.174 48 HA ARG 5 HA ARG 5 4.193 2.752 -2.062 49 1HB ARG 5 HB2 ARG 5 1.369 3.457 -2.952 50 2HB ARG 5 HB3 ARG 5 2.640 4.618 -2.536 51 1HG ARG 5 HG2 ARG 5 4.067 3.735 -4.371 52 2HG ARG 5 HG3 ARG 5 2.796 2.579 -4.797 53 1HD ARG 5 HD2 ARG 5 1.247 4.596 -5.112 54 2HD ARG 5 HD3 ARG 5 2.714 5.597 -5.037 55 HE ARG 5 HE ARG 5 2.913 3.344 -6.855 56 1HH1 ARG 5 1HH1 ARG 5 1.817 6.732 -6.674 57 2HH1 ARG 5 2HH1 ARG 5 1.810 6.930 -8.412 58 1HH2 ARG 5 1HH2 ARG 5 2.860 3.635 -9.092 59 2HH2 ARG 5 2HH2 ARG 5 2.404 5.177 -9.784 60 H PHE 6 H PHE 6 1.394 1.134 -0.744 61 HA PHE 6 HA PHE 6 1.218 2.875 1.599 62 1HB PHE 6 HB2 PHE 6 -0.766 1.059 0.204 63 2HB PHE 6 HB3 PHE 6 -1.104 1.958 1.670 64 HD1 PHE 6 HD1 PHE 6 -1.653 2.107 -1.746 65 HD2 PHE 6 HD2 PHE 6 -0.379 4.582 1.555 66 HE1 PHE 6 HE1 PHE 6 -2.410 4.136 -2.955 67 HE2 PHE 6 HE2 PHE 6 -1.118 6.597 0.326 68 HZ PHE 6 HZ PHE 6 -2.136 6.379 -1.931 Start of MODEL 6 1 H ARG 1 H ARG 1 -0.128 1.345 3.141 2 HA ARG 1 HA ARG 1 1.726 0.650 5.054 3 1HB ARG 1 HB2 ARG 1 -1.210 -0.084 4.749 4 2HB ARG 1 HB3 ARG 1 -0.311 -0.327 6.247 5 1HG ARG 1 HG2 ARG 1 -0.192 1.940 6.733 6 2HG ARG 1 HG3 ARG 1 -0.227 2.435 5.044 7 1HD ARG 1 HD2 ARG 1 -2.277 3.130 6.034 8 2HD ARG 1 HD3 ARG 1 -2.618 1.844 4.882 9 HE ARG 1 HE ARG 1 -2.918 0.288 6.720 10 1HH1 ARG 1 1HH1 ARG 1 -2.934 3.722 7.705 11 2HH1 ARG 1 2HH1 ARG 1 -3.883 3.401 9.139 12 1HH2 ARG 1 1HH2 ARG 1 -4.150 -0.061 8.574 13 2HH2 ARG 1 2HH2 ARG 1 -4.565 1.273 9.628 14 H ARG 2 H ARG 2 -0.428 -1.704 3.398 15 HA ARG 2 HA ARG 2 0.858 -3.995 4.547 16 1HB ARG 2 HB2 ARG 2 -1.244 -3.663 2.366 17 2HB ARG 2 HB3 ARG 2 -0.881 -5.178 3.194 18 1HG ARG 2 HG2 ARG 2 -1.828 -4.435 5.225 19 2HG ARG 2 HG3 ARG 2 -1.714 -2.730 4.786 20 1HD ARG 2 HD2 ARG 2 -3.993 -3.246 4.664 21 2HD ARG 2 HD3 ARG 2 -3.414 -3.054 3.005 22 HE ARG 2 HE ARG 2 -3.276 -5.805 3.705 23 1HH1 ARG 2 1HH2 ARG 2 -5.732 -3.300 3.093 24 2HH1 ARG 2 2HH2 ARG 2 -6.959 -4.455 2.627 25 1HH2 ARG 2 1HH1 ARG 2 -4.908 -7.283 3.097 26 2HH2 ARG 2 2HH1 ARG 2 -6.491 -6.703 2.630 27 H TRP 3 H TRP 3 0.707 -2.499 1.289 28 HA TRP 3 HA TRP 3 3.004 -3.933 0.270 29 1HB TRP 3 HB2 TRP 3 1.603 -4.808 -1.630 30 2HB TRP 3 HB3 TRP 3 1.508 -5.616 -0.095 31 HD1 TRP 3 HD1 TRP 3 -0.485 -6.802 -1.225 32 HE1 TRP 3 HE1 TRP 3 -2.979 -6.414 -1.051 33 HE3 TRP 3 HE3 TRP 3 -0.517 -1.788 0.092 34 HZ2 TRP 3 HZ2 TRP 3 -4.768 -4.301 -0.318 35 HZ3 TRP 3 HZ3 TRP 3 -2.628 -0.677 0.549 36 HH2 TRP 3 HH2 TRP 3 -4.778 -1.905 0.363 37 H TRP 4 H TRP 4 3.105 -3.317 -2.216 38 HA TRP 4 HA TRP 4 3.668 -1.714 -3.656 39 1HB TRP 4 HB2 TRP 4 1.208 -2.148 -3.934 40 2HB TRP 4 HB3 TRP 4 0.870 -0.726 -2.982 41 HD1 TRP 4 HD1 TRP 4 3.392 -1.042 -5.917 42 HE1 TRP 4 HE1 TRP 4 2.844 0.707 -7.678 43 HE3 TRP 4 HE3 TRP 4 -0.846 0.903 -3.808 44 HZ2 TRP 4 HZ2 TRP 4 0.817 2.739 -8.128 45 HZ3 TRP 4 HZ3 TRP 4 -2.072 2.738 -4.935 46 HH2 TRP 4 HH2 TRP 4 -1.245 3.670 -7.082 47 H ARG 5 H ARG 5 2.090 1.157 -3.176 48 HA ARG 5 HA ARG 5 4.346 2.522 -1.989 49 1HB ARG 5 HB2 ARG 5 1.568 3.404 -2.881 50 2HB ARG 5 HB3 ARG 5 2.845 4.503 -2.342 51 1HG ARG 5 HG2 ARG 5 4.288 3.823 -4.207 52 2HG ARG 5 HG3 ARG 5 3.088 2.632 -4.739 53 1HD ARG 5 HD2 ARG 5 1.436 4.487 -5.059 54 2HD ARG 5 HD3 ARG 5 2.718 5.651 -4.665 55 HE ARG 5 HE ARG 5 3.655 3.928 -6.710 56 1HH1 ARG 5 1HH2 ARG 5 1.242 6.527 -6.333 57 2HH1 ARG 5 2HH2 ARG 5 1.286 6.949 -8.030 58 1HH2 ARG 5 1HH1 ARG 5 3.670 4.503 -8.895 59 2HH2 ARG 5 2HH1 ARG 5 2.660 5.807 -9.477 60 H PHE 6 H PHE 6 1.293 1.158 -0.785 61 HA PHE 6 HA PHE 6 1.227 2.836 1.555 62 1HB PHE 6 HB2 PHE 6 -0.713 0.925 0.235 63 2HB PHE 6 HB3 PHE 6 -1.068 1.793 1.724 64 HD1 PHE 6 HD1 PHE 6 -1.270 4.257 1.797 65 HD2 PHE 6 HD2 PHE 6 -0.683 2.144 -1.914 66 HE1 PHE 6 HE1 PHE 6 -1.927 6.287 0.536 67 HE2 PHE 6 HE2 PHE 6 -1.332 4.188 -3.171 68 HZ PHE 6 HZ PHE 6 -1.954 6.256 -1.949 Start of MODEL 7 1 H ARG 1 H ARG 1 -0.171 0.954 3.080 2 HA ARG 1 HA ARG 1 2.080 0.387 4.775 3 1HB ARG 1 HB2 ARG 1 -0.856 -0.238 5.267 4 2HB ARG 1 HB3 ARG 1 0.447 -0.023 6.451 5 1HG ARG 1 HG2 ARG 1 0.708 2.357 5.348 6 2HG ARG 1 HG3 ARG 1 -0.914 2.069 4.703 7 1HD ARG 1 HD2 ARG 1 -0.090 2.052 7.613 8 2HD ARG 1 HD3 ARG 1 -0.888 3.387 6.744 9 HE ARG 1 HE ARG 1 -2.472 1.030 6.515 10 1HH1 ARG 1 1HH2 ARG 1 -1.562 3.476 8.943 11 2HH1 ARG 1 2HH2 ARG 1 -3.045 3.283 9.852 12 1HH2 ARG 1 1HH1 ARG 1 -4.391 0.816 7.729 13 2HH2 ARG 1 2HH1 ARG 1 -4.638 1.783 9.166 14 H ARG 2 H ARG 2 -0.493 -1.689 3.347 15 HA ARG 2 HA ARG 2 0.596 -4.099 4.466 16 1HB ARG 2 HB2 ARG 2 -1.360 -4.168 2.185 17 2HB ARG 2 HB3 ARG 2 -1.292 -5.144 3.645 18 1HG ARG 2 HG2 ARG 2 -2.118 -3.109 4.939 19 2HG ARG 2 HG3 ARG 2 -2.262 -2.265 3.385 20 1HD ARG 2 HD2 ARG 2 -4.413 -2.991 3.732 21 2HD ARG 2 HD3 ARG 2 -3.762 -4.217 2.632 22 HE ARG 2 HE ARG 2 -3.487 -4.867 5.468 23 1HH1 ARG 2 1HH1 ARG 2 -5.700 -5.062 2.684 24 2HH1 ARG 2 2HH1 ARG 2 -6.705 -6.284 3.431 25 1HH2 ARG 2 1HH2 ARG 2 -4.831 -6.438 6.411 26 2HH2 ARG 2 2HH2 ARG 2 -6.210 -7.062 5.537 27 H TRP 3 H TRP 3 1.001 -2.382 1.424 28 HA TRP 3 HA TRP 3 2.985 -4.056 0.265 29 1HB TRP 3 HB2 TRP 3 1.590 -4.670 -1.697 30 2HB TRP 3 HB3 TRP 3 1.179 -5.496 -0.231 31 HD1 TRP 3 HD1 TRP 3 -0.734 -6.014 -2.140 32 HE1 TRP 3 HE1 TRP 3 -3.145 -5.251 -2.143 33 HE3 TRP 3 HE3 TRP 3 -0.301 -1.649 0.656 34 HZ2 TRP 3 HZ2 TRP 3 -4.717 -3.126 -1.034 35 HZ3 TRP 3 HZ3 TRP 3 -2.295 -0.392 1.215 36 HH2 TRP 3 HH2 TRP 3 -4.513 -1.075 0.375 37 H TRP 4 H TRP 4 3.063 -3.253 -2.191 38 HA TRP 4 HA TRP 4 3.697 -1.623 -3.572 39 1HB TRP 4 HB2 TRP 4 1.242 -2.133 -3.810 40 2HB TRP 4 HB3 TRP 4 0.879 -0.689 -2.894 41 HD1 TRP 4 HD1 TRP 4 3.252 -1.231 -5.925 42 HE1 TRP 4 HE1 TRP 4 2.698 0.456 -7.743 43 HE3 TRP 4 HE3 TRP 4 -0.696 1.126 -3.652 44 HZ2 TRP 4 HZ2 TRP 4 0.763 2.572 -8.190 45 HZ3 TRP 4 HZ3 TRP 4 -1.871 2.971 -4.812 46 HH2 TRP 4 HH2 TRP 4 -1.155 3.701 -7.069 47 H ARG 5 H ARG 5 2.066 1.220 -3.179 48 HA ARG 5 HA ARG 5 4.281 2.706 -2.095 49 1HB ARG 5 HB2 ARG 5 1.412 3.419 -2.849 50 2HB ARG 5 HB3 ARG 5 2.652 4.591 -2.390 51 1HG ARG 5 HG2 ARG 5 4.035 3.943 -4.326 52 2HG ARG 5 HG3 ARG 5 2.820 2.744 -4.808 53 1HD ARG 5 HD2 ARG 5 1.122 4.568 -4.980 54 2HD ARG 5 HD3 ARG 5 2.385 5.752 -4.590 55 HE ARG 5 HE ARG 5 3.329 4.232 -6.748 56 1HH1 ARG 5 1HH2 ARG 5 0.643 6.499 -6.146 57 2HH1 ARG 5 2HH2 ARG 5 0.562 7.015 -7.816 58 1HH2 ARG 5 1HH1 ARG 5 3.183 4.928 -8.910 59 2HH2 ARG 5 2HH1 ARG 5 1.997 6.127 -9.376 60 H PHE 6 H PHE 6 1.475 1.123 -0.725 61 HA PHE 6 HA PHE 6 1.316 2.924 1.567 62 1HB PHE 6 HB2 PHE 6 -0.618 0.910 0.447 63 2HB PHE 6 HB3 PHE 6 -0.952 2.018 1.781 64 HD1 PHE 6 HD1 PHE 6 -2.206 1.584 -1.181 65 HD2 PHE 6 HD2 PHE 6 0.243 4.598 0.719 66 HE1 PHE 6 HE1 PHE 6 -3.054 3.293 -2.756 67 HE2 PHE 6 HE2 PHE 6 -0.581 6.273 -0.883 68 HZ PHE 6 HZ PHE 6 -2.231 5.634 -2.628 Start of MODEL 8 1 H ARG 1 H ARG 1 -0.086 1.207 3.247 2 HA ARG 1 HA ARG 1 1.975 0.433 4.955 3 1HB ARG 1 HB2 ARG 1 -0.915 -0.468 5.178 4 2HB ARG 1 HB3 ARG 1 0.268 -0.286 6.471 5 1HG ARG 1 HG2 ARG 1 -1.067 1.878 4.814 6 2HG ARG 1 HG3 ARG 1 -1.340 1.495 6.513 7 1HD ARG 1 HD2 ARG 1 0.998 2.196 7.053 8 2HD ARG 1 HD3 ARG 1 1.268 2.595 5.349 9 HE ARG 1 HE ARG 1 -1.001 4.036 6.370 10 1HH1 ARG 1 1HH1 ARG 1 2.558 4.094 6.448 11 2HH1 ARG 1 2HH1 ARG 1 2.604 5.815 6.764 12 1HH2 ARG 1 1HH2 ARG 1 -0.896 6.221 6.767 13 2HH2 ARG 1 2HH2 ARG 1 0.650 7.017 6.943 14 H ARG 2 H ARG 2 -0.479 -1.933 3.726 15 HA ARG 2 HA ARG 2 1.236 -4.124 4.510 16 1HB ARG 2 HB2 ARG 2 -0.721 -5.298 2.967 17 2HB ARG 2 HB3 ARG 2 -0.745 -5.076 4.703 18 1HG ARG 2 HG2 ARG 2 -2.220 -3.220 4.580 19 2HG ARG 2 HG3 ARG 2 -1.928 -2.994 2.850 20 1HD ARG 2 HD2 ARG 2 -4.117 -3.986 3.233 21 2HD ARG 2 HD3 ARG 2 -3.070 -5.065 2.304 22 HE ARG 2 HE ARG 2 -2.602 -6.061 4.701 23 1HH1 ARG 2 1HH2 ARG 2 -5.784 -5.075 3.420 24 2HH1 ARG 2 2HH2 ARG 2 -6.641 -6.262 4.377 25 1HH2 ARG 2 1HH1 ARG 2 -3.752 -7.576 5.904 26 2HH2 ARG 2 2HH1 ARG 2 -5.495 -7.673 5.780 27 H TRP 3 H TRP 3 0.879 -2.323 1.477 28 HA TRP 3 HA TRP 3 2.726 -4.064 0.105 29 1HB TRP 3 HB2 TRP 3 1.131 -4.496 -1.737 30 2HB TRP 3 HB3 TRP 3 0.806 -5.346 -0.262 31 HD1 TRP 3 HD1 TRP 3 -1.299 -5.711 -1.983 32 HE1 TRP 3 HE1 TRP 3 -3.654 -4.830 -1.711 33 HE3 TRP 3 HE3 TRP 3 -0.333 -1.413 0.775 34 HZ2 TRP 3 HZ2 TRP 3 -4.996 -2.717 -0.321 35 HZ3 TRP 3 HZ3 TRP 3 -2.211 -0.121 1.649 36 HH2 TRP 3 HH2 TRP 3 -4.541 -0.729 1.109 37 H TRP 4 H TRP 4 2.827 -3.261 -2.200 38 HA TRP 4 HA TRP 4 3.595 -1.667 -3.596 39 1HB TRP 4 HB2 TRP 4 1.104 -2.086 -3.799 40 2HB TRP 4 HB3 TRP 4 0.822 -0.601 -2.942 41 HD1 TRP 4 HD1 TRP 4 3.223 -1.281 -5.930 42 HE1 TRP 4 HE1 TRP 4 2.755 0.407 -7.772 43 HE3 TRP 4 HE3 TRP 4 -0.670 1.220 -3.737 44 HZ2 TRP 4 HZ2 TRP 4 0.879 2.566 -8.279 45 HZ3 TRP 4 HZ3 TRP 4 -1.812 3.057 -4.957 46 HH2 TRP 4 HH2 TRP 4 -1.048 3.736 -7.214 47 H ARG 5 H ARG 5 1.958 1.174 -3.093 48 HA ARG 5 HA ARG 5 4.248 2.612 -2.070 49 1HB ARG 5 HB2 ARG 5 1.477 3.347 -3.079 50 2HB ARG 5 HB3 ARG 5 2.612 4.544 -2.429 51 1HG ARG 5 HG2 ARG 5 4.334 3.841 -4.040 52 2HG ARG 5 HG3 ARG 5 3.223 2.660 -4.753 53 1HD ARG 5 HD2 ARG 5 1.756 4.392 -5.545 54 2HD ARG 5 HD3 ARG 5 2.607 5.630 -4.607 55 HE ARG 5 HE ARG 5 3.817 4.069 -6.849 56 1HH1 ARG 5 1HH2 ARG 5 3.633 7.141 -5.042 57 2HH1 ARG 5 2HH2 ARG 5 4.867 7.908 -6.017 58 1HH2 ARG 5 1HH1 ARG 5 5.378 5.128 -8.115 59 2HH2 ARG 5 2HH1 ARG 5 5.846 6.771 -7.746 60 H PHE 6 H PHE 6 1.381 1.190 -0.640 61 HA PHE 6 HA PHE 6 1.426 2.968 1.684 62 1HB PHE 6 HB2 PHE 6 -0.672 1.089 0.620 63 2HB PHE 6 HB3 PHE 6 -0.889 2.216 1.963 64 HD1 PHE 6 HD1 PHE 6 0.042 4.766 1.217 65 HD2 PHE 6 HD2 PHE 6 -1.819 1.801 -1.312 66 HE1 PHE 6 HE1 PHE 6 -0.672 6.543 -0.347 67 HE2 PHE 6 HE2 PHE 6 -2.556 3.594 -2.851 68 HZ PHE 6 HZ PHE 6 -1.970 5.964 -2.387 Start of MODEL 9 1 H ARG 1 H ARG 1 -0.021 1.295 3.321 2 HA ARG 1 HA ARG 1 2.046 0.705 5.032 3 1HB ARG 1 HB2 ARG 1 -0.636 -0.693 5.300 4 2HB ARG 1 HB3 ARG 1 0.453 -0.144 6.559 5 1HG ARG 1 HG2 ARG 1 -1.258 1.567 4.709 6 2HG ARG 1 HG3 ARG 1 -1.599 1.139 6.382 7 1HD ARG 1 HD2 ARG 1 0.559 2.322 7.045 8 2HD ARG 1 HD3 ARG 1 0.655 2.916 5.374 9 HE ARG 1 HE ARG 1 -1.795 3.339 7.004 10 1HH1 ARG 1 1HH1 ARG 1 1.002 4.851 5.370 11 2HH1 ARG 1 2HH1 ARG 1 0.320 6.459 5.471 12 1HH2 ARG 1 1HH2 ARG 1 -2.639 5.443 7.084 13 2HH2 ARG 1 2HH2 ARG 1 -1.733 6.792 6.438 14 H ARG 2 H ARG 2 -0.120 -1.872 3.826 15 HA ARG 2 HA ARG 2 1.704 -3.933 4.682 16 1HB ARG 2 HB2 ARG 2 -0.883 -4.299 3.130 17 2HB ARG 2 HB3 ARG 2 -0.108 -5.405 4.264 18 1HG ARG 2 HG2 ARG 2 -0.605 -3.650 6.093 19 2HG ARG 2 HG3 ARG 2 -1.573 -2.805 4.870 20 1HD ARG 2 HD2 ARG 2 -3.134 -4.071 6.056 21 2HD ARG 2 HD3 ARG 2 -2.883 -4.960 4.553 22 HE ARG 2 HE ARG 2 -1.582 -6.592 5.724 23 1HH1 ARG 2 1HH2 ARG 2 -3.109 -4.264 7.964 24 2HH1 ARG 2 2HH2 ARG 2 -2.873 -5.301 9.352 25 1HH2 ARG 2 1HH1 ARG 2 -1.303 -7.885 7.551 26 2HH2 ARG 2 2HH1 ARG 2 -1.857 -7.341 9.118 27 H TRP 3 H TRP 3 0.921 -2.348 1.574 28 HA TRP 3 HA TRP 3 2.725 -3.947 0.075 29 1HB TRP 3 HB2 TRP 3 0.951 -4.772 -1.471 30 2HB TRP 3 HB3 TRP 3 1.118 -5.579 0.056 31 HD1 TRP 3 HD1 TRP 3 -1.112 -6.640 -0.861 32 HE1 TRP 3 HE1 TRP 3 -3.513 -6.194 -0.209 33 HE3 TRP 3 HE3 TRP 3 -0.654 -1.784 0.880 34 HZ2 TRP 3 HZ2 TRP 3 -5.064 -4.052 0.912 35 HZ3 TRP 3 HZ3 TRP 3 -2.610 -0.622 1.744 36 HH2 TRP 3 HH2 TRP 3 -4.834 -1.727 1.775 37 H TRP 4 H TRP 4 2.474 -3.321 -2.260 38 HA TRP 4 HA TRP 4 3.078 -1.770 -3.696 39 1HB TRP 4 HB2 TRP 4 0.495 -1.894 -3.693 40 2HB TRP 4 HB3 TRP 4 0.505 -0.325 -2.944 41 HD1 TRP 4 HD1 TRP 4 2.386 -1.812 -5.987 42 HE1 TRP 4 HE1 TRP 4 2.412 -0.148 -7.905 43 HE3 TRP 4 HE3 TRP 4 -0.361 1.957 -3.835 44 HZ2 TRP 4 HZ2 TRP 4 1.433 2.512 -8.446 45 HZ3 TRP 4 HZ3 TRP 4 -0.808 4.047 -5.113 46 HH2 TRP 4 HH2 TRP 4 0.105 4.337 -7.393 47 H ARG 5 H ARG 5 1.875 1.245 -3.088 48 HA ARG 5 HA ARG 5 4.322 2.232 -1.868 49 1HB ARG 5 HB2 ARG 5 1.846 3.646 -2.948 50 2HB ARG 5 HB3 ARG 5 3.330 4.436 -2.374 51 1HG ARG 5 HG2 ARG 5 4.610 2.984 -4.026 52 2HG ARG 5 HG3 ARG 5 3.047 2.529 -4.726 53 1HD ARG 5 HD2 ARG 5 2.622 4.840 -5.364 54 2HD ARG 5 HD3 ARG 5 4.113 5.365 -4.550 55 HE ARG 5 HE ARG 5 4.138 3.342 -6.741 56 1HH1 ARG 5 1HH2 ARG 5 5.441 6.421 -5.480 57 2HH1 ARG 5 2HH2 ARG 5 6.698 6.489 -6.694 58 1HH2 ARG 5 1HH1 ARG 5 5.768 3.496 -8.288 59 2HH2 ARG 5 2HH1 ARG 5 6.882 4.843 -8.273 60 H PHE 6 H PHE 6 1.170 1.248 -0.679 61 HA PHE 6 HA PHE 6 1.216 2.966 1.639 62 1HB PHE 6 HB2 PHE 6 -0.763 0.907 0.623 63 2HB PHE 6 HB3 PHE 6 -1.027 2.007 1.976 64 HD1 PHE 6 HD1 PHE 6 -0.524 4.606 1.404 65 HD2 PHE 6 HD2 PHE 6 -1.695 1.593 -1.458 66 HE1 PHE 6 HE1 PHE 6 -1.317 6.372 -0.137 67 HE2 PHE 6 HE2 PHE 6 -2.498 3.371 -2.985 68 HZ PHE 6 HZ PHE 6 -2.298 5.768 -2.337 Start of MODEL 10 1 H ARG 1 H ARG 1 0.003 1.125 3.262 2 HA ARG 1 HA ARG 1 2.227 0.310 4.824 3 1HB ARG 1 HB2 ARG 1 -0.782 -0.033 5.185 4 2HB ARG 1 HB3 ARG 1 0.424 -0.231 6.449 5 1HG ARG 1 HG2 ARG 1 0.721 2.389 5.098 6 2HG ARG 1 HG3 ARG 1 -0.926 2.160 5.661 7 1HD ARG 1 HD2 ARG 1 1.521 1.745 7.411 8 2HD ARG 1 HD3 ARG 1 0.698 3.308 7.214 9 HE ARG 1 HE ARG 1 -1.175 1.252 7.886 10 1HH1 ARG 1 1HH1 ARG 1 1.239 3.424 9.364 11 2HH1 ARG 1 2HH1 ARG 1 0.457 3.410 10.928 12 1HH2 ARG 1 1HH2 ARG 1 -2.145 1.243 9.955 13 2HH2 ARG 1 2HH2 ARG 1 -1.453 2.179 11.260 14 H ARG 2 H ARG 2 -0.526 -1.572 3.490 15 HA ARG 2 HA ARG 2 0.301 -4.106 4.357 16 1HB ARG 2 HB2 ARG 2 -1.917 -2.954 2.966 17 2HB ARG 2 HB3 ARG 2 -1.245 -4.160 1.851 18 1HG ARG 2 HG2 ARG 2 -1.175 -5.726 3.817 19 2HG ARG 2 HG3 ARG 2 -2.215 -4.543 4.656 20 1HD ARG 2 HD2 ARG 2 -2.826 -5.888 1.977 21 2HD ARG 2 HD3 ARG 2 -3.434 -6.480 3.528 22 HE ARG 2 HE ARG 2 -4.462 -4.041 3.624 23 1HH1 ARG 2 1HH1 ARG 2 -4.498 -6.412 0.967 24 2HH1 ARG 2 2HH1 ARG 2 -5.991 -5.788 0.302 25 1HH2 ARG 2 1HH2 ARG 2 -6.328 -3.200 2.667 26 2HH2 ARG 2 2HH2 ARG 2 -7.021 -3.981 1.262 27 H TRP 3 H TRP 3 0.737 -2.429 1.357 28 HA TRP 3 HA TRP 3 2.993 -3.963 0.324 29 1HB TRP 3 HB2 TRP 3 1.771 -4.662 -1.706 30 2HB TRP 3 HB3 TRP 3 1.269 -5.462 -0.252 31 HD1 TRP 3 HD1 TRP 3 -0.460 -6.067 -2.323 32 HE1 TRP 3 HE1 TRP 3 -2.902 -5.424 -2.459 33 HE3 TRP 3 HE3 TRP 3 -0.390 -1.595 0.363 34 HZ2 TRP 3 HZ2 TRP 3 -4.661 -3.493 -1.289 35 HZ3 TRP 3 HZ3 TRP 3 -2.479 -0.585 1.007 36 HH2 TRP 3 HH2 TRP 3 -4.646 -1.476 0.174 37 H TRP 4 H TRP 4 3.181 -3.200 -2.144 38 HA TRP 4 HA TRP 4 3.797 -1.559 -3.543 39 1HB TRP 4 HB2 TRP 4 1.372 -2.180 -3.853 40 2HB TRP 4 HB3 TRP 4 0.922 -0.735 -2.988 41 HD1 TRP 4 HD1 TRP 4 3.387 -1.280 -5.950 42 HE1 TRP 4 HE1 TRP 4 2.836 0.363 -7.812 43 HE3 TRP 4 HE3 TRP 4 -0.632 1.055 -3.791 44 HZ2 TRP 4 HZ2 TRP 4 0.877 2.441 -8.330 45 HZ3 TRP 4 HZ3 TRP 4 -1.821 2.858 -5.001 46 HH2 TRP 4 HH2 TRP 4 -1.078 3.560 -7.263 47 H ARG 5 H ARG 5 1.972 1.182 -3.163 48 HA ARG 5 HA ARG 5 4.136 2.780 -2.121 49 1HB ARG 5 HB2 ARG 5 1.262 3.384 -2.942 50 2HB ARG 5 HB3 ARG 5 2.445 4.610 -2.470 51 1HG ARG 5 HG2 ARG 5 3.922 3.939 -4.340 52 2HG ARG 5 HG3 ARG 5 2.738 2.721 -4.847 53 1HD ARG 5 HD2 ARG 5 1.042 4.514 -5.167 54 2HD ARG 5 HD3 ARG 5 2.247 5.723 -4.684 55 HE ARG 5 HE ARG 5 3.266 4.123 -6.821 56 1HH1 ARG 5 1HH2 ARG 5 0.904 6.731 -6.253 57 2HH1 ARG 5 2HH2 ARG 5 1.068 7.373 -7.872 58 1HH2 ARG 5 1HH1 ARG 5 3.449 4.993 -8.909 59 2HH2 ARG 5 2HH1 ARG 5 2.505 6.390 -9.371 60 H PHE 6 H PHE 6 1.376 1.156 -0.682 61 HA PHE 6 HA PHE 6 1.348 2.887 1.657 62 1HB PHE 6 HB2 PHE 6 -0.687 0.995 0.468 63 2HB PHE 6 HB3 PHE 6 -0.929 1.926 1.947 64 HD1 PHE 6 HD1 PHE 6 -0.645 4.499 1.845 65 HD2 PHE 6 HD2 PHE 6 -1.234 2.024 -1.640 66 HE1 PHE 6 HE1 PHE 6 -1.362 6.486 0.553 67 HE2 PHE 6 HE2 PHE 6 -1.954 4.021 -2.924 68 HZ PHE 6 HZ PHE 6 -2.015 6.251 -1.834
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