NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
526250 | 2lmb | 18110 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 5.446 1.142 2.489 2 HA MET 1 HA MET 1 3.793 -1.207 2.834 3 HB3 MET 1 2HB MET 1 5.766 -2.074 4.098 4 HG3 MET 1 2HG MET 1 7.384 -2.089 2.236 5 HE1 MET 1 3HE MET 1 5.377 -5.327 2.102 6 HE2 MET 1 1HE MET 1 6.917 -4.537 2.441 7 HE3 MET 1 2HE MET 1 5.521 -4.222 3.469 8 H TRP 2 H TRP 2 5.284 1.233 4.952 9 HA TRP 2 HA TRP 2 3.205 0.631 6.945 10 HB3 TRP 2 2HB TRP 2 5.154 -0.362 7.863 11 HD1 TRP 2 HD TRP 2 6.524 3.259 7.476 12 HE1 TRP 2 1HE TRP 2 8.988 3.091 6.752 13 HE3 TRP 2 3HE TRP 2 6.925 -1.826 7.129 14 HZ2 TRP 2 2HZ TRP 2 10.855 1.071 6.117 15 HZ3 TRP 2 3HZ TRP 2 9.084 -2.796 6.456 16 HH2 TRP 2 HH TRP 2 11.006 -1.375 5.961 17 H GLN 3 H GLN 3 2.617 2.393 8.321 18 HA GLN 3 HA GLN 3 1.999 4.548 8.705 19 HB3 GLN 3 2HB GLN 3 3.758 6.284 8.422 20 HG3 GLN 3 2HG GLN 3 4.266 3.757 9.869 21 HE21 GLN 3 1HE2 GLN 3 6.093 3.653 11.331 22 HE22 GLN 3 2HE2 GLN 3 7.630 4.244 10.808 23 H ARG 4 H ARG 4 1.389 3.314 6.125 24 HA ARG 4 HA ARG 4 1.517 5.514 4.226 25 HB3 ARG 4 2HB ARG 4 -0.064 3.533 3.102 26 HG3 ARG 4 2HG ARG 4 2.884 3.282 2.840 27 HD3 ARG 4 2HD ARG 4 2.316 3.173 0.467 28 HE ARG 4 HE ARG 4 1.533 1.222 2.267 29 HH11 ARG 4 1HH1 ARG 4 0.648 2.269 -0.933 30 HH12 ARG 4 2HH1 ARG 4 0.148 0.693 -1.451 31 HH21 ARG 4 1HH2 ARG 4 0.878 -0.858 1.596 32 HH22 ARG 4 2HH2 ARG 4 0.279 -1.084 -0.012 33 H ARG 5 H ARG 5 -0.882 3.721 6.100 34 HA ARG 5 HA ARG 5 -3.024 5.430 5.105 35 HB3 ARG 5 2HB ARG 5 -4.142 3.825 7.039 36 HG3 ARG 5 2HG ARG 5 -3.944 3.715 4.112 37 HD3 ARG 5 2HD ARG 5 -5.041 1.546 3.957 38 HE ARG 5 HE ARG 5 -2.659 0.786 5.399 39 HH11 ARG 5 1HH1 ARG 5 -3.967 2.084 2.446 40 HH12 ARG 5 2HH1 ARG 5 -2.591 1.643 1.490 41 HH21 ARG 5 1HH2 ARG 5 -0.842 0.201 4.151 42 HH22 ARG 5 2HH2 ARG 5 -0.815 0.572 2.460 43 H GLN 6 H GLN 6 -0.740 5.575 7.492 44 HA GLN 6 HA GLN 6 -2.105 6.417 9.768 45 HB3 GLN 6 2HB GLN 6 0.179 7.943 9.804 46 HG3 GLN 6 2HG GLN 6 0.588 5.077 10.370 47 HE21 GLN 6 1HE2 GLN 6 0.168 8.292 11.818 48 HE22 GLN 6 2HE2 GLN 6 1.623 8.249 12.748 49 H ARG 7 H ARG 7 -1.604 8.012 6.753 50 HA ARG 7 HA ARG 7 -2.113 10.666 7.759 51 HB3 ARG 7 2HB ARG 7 -2.394 11.049 5.167 52 HG3 ARG 7 2HG ARG 7 0.041 10.658 6.777 53 HD3 ARG 7 2HD ARG 7 0.638 11.355 4.001 54 HE ARG 7 HE ARG 7 2.101 9.266 5.345 55 HH11 ARG 7 1HH1 ARG 7 1.669 12.700 4.961 56 HH12 ARG 7 2HH1 ARG 7 3.267 13.093 5.502 57 HH21 ARG 7 1HH2 ARG 7 4.207 9.772 6.060 58 HH22 ARG 7 2HH2 ARG 7 4.711 11.427 6.126 59 H ARG 8 H ARG 8 -3.982 7.990 6.718 60 HA ARG 8 HA ARG 8 -6.340 9.638 6.200 61 HB3 ARG 8 2HB ARG 8 -7.268 7.147 5.878 62 HG3 ARG 8 2HG ARG 8 -6.265 9.133 4.123 63 HD3 ARG 8 2HD ARG 8 -5.933 7.150 2.302 64 HE ARG 8 HE ARG 8 -3.445 7.967 3.461 65 HH11 ARG 8 1HH1 ARG 8 -6.207 9.039 1.632 66 HH12 ARG 8 2HH1 ARG 8 -5.360 10.345 0.872 67 HH21 ARG 8 1HH2 ARG 8 -2.320 9.683 2.467 68 HH22 ARG 8 2HH2 ARG 8 -3.149 10.711 1.347 69 H GLY 9 H GLY 9 -5.104 7.248 8.474 70 HA2 GLY 9 2HA GLY 9 -5.861 7.701 10.819 71 HA3 GLY 9 3HA GLY 9 -7.488 7.726 10.154 72 H GLU 10 H GLU 10 -5.452 5.433 8.693 73 HA GLU 10 HA GLU 10 -6.645 3.302 10.343 74 HB3 GLU 10 2HB GLU 10 -6.162 1.955 8.115 75 HG3 GLU 10 2HG GLU 10 -8.492 3.840 8.062 76 H GLU 11 H GLU 11 -3.766 4.634 8.989 77 HA GLU 11 HA GLU 11 -1.569 4.207 9.447 78 HB3 GLU 11 2HB GLU 11 -2.277 1.806 11.090 79 HG3 GLU 11 2HG GLU 11 -0.508 3.856 12.180 80 H ARG 12 H ARG 12 -3.200 1.032 9.387 81 HA ARG 12 HA ARG 12 -1.647 0.362 6.988 82 HB3 ARG 12 2HB ARG 12 -1.228 -1.896 7.877 83 HG3 ARG 12 2HG ARG 12 0.188 -1.153 9.955 84 HD3 ARG 12 2HD ARG 12 1.150 0.230 7.544 85 HE ARG 12 HE ARG 12 2.960 -0.434 8.789 86 HH11 ARG 12 1HH1 ARG 12 0.793 -3.126 8.365 87 HH12 ARG 12 2HH1 ARG 12 1.900 -4.287 9.023 88 HH21 ARG 12 1HH2 ARG 12 4.424 -1.951 9.657 89 HH22 ARG 12 2HH2 ARG 12 3.963 -3.618 9.758 90 H LYS 13 H LYS 13 -2.571 -1.324 5.687 91 HA LYS 13 HA LYS 13 -5.344 -1.111 5.355 92 HB3 LYS 13 2HB LYS 13 -3.414 -3.201 4.336 93 HG3 LYS 13 2HG LYS 13 -5.707 -4.043 4.176 94 HD3 LYS 13 2HD LYS 13 -6.161 -1.432 2.751 95 HE3 LYS 13 2HE LYS 13 -6.983 -3.592 1.545 96 HZ1 LYS 13 3HZ LYS 13 -9.396 -3.907 2.458 97 HZ2 LYS 13 1HZ LYS 13 -8.682 -3.477 3.930 98 HZ3 LYS 13 2HZ LYS 13 -8.114 -4.823 3.075 99 H ALA 14 H ALA 14 -6.931 -1.938 6.529 100 HA ALA 14 HA ALA 14 -6.618 -4.622 7.668 101 HB1 ALA 14 1HB ALA 14 -6.540 -2.269 9.199 102 HB2 ALA 14 2HB ALA 14 -8.119 -3.000 9.489 103 HB3 ALA 14 3HB ALA 14 -6.650 -3.933 9.776 104 HA PRO 15 HA PRO 15 -10.717 -5.365 6.292 105 HB3 PRO 15 2HB PRO 15 -10.507 -7.498 7.118 106 HG3 PRO 15 2HG PRO 15 -9.393 -7.905 9.119 107 HD3 PRO 15 2HD PRO 15 -7.826 -6.595 8.052 Start of MODEL 2 1 H1 MET 1 H MET 1 5.931 -0.918 2.663 2 HA MET 1 HA MET 1 3.652 0.302 2.795 3 HB3 MET 1 2HB MET 1 2.517 -1.922 3.549 4 HG3 MET 1 2HG MET 1 3.303 -3.098 1.439 5 HE1 MET 1 3HE MET 1 0.320 -2.222 -0.483 6 HE2 MET 1 1HE MET 1 1.949 -2.680 -0.976 7 HE3 MET 1 2HE MET 1 1.222 -3.415 0.452 8 H TRP 2 H TRP 2 5.221 1.092 5.140 9 HA TRP 2 HA TRP 2 3.162 0.729 7.220 10 HB3 TRP 2 2HB TRP 2 4.849 0.896 8.905 11 HD1 TRP 2 HD TRP 2 3.761 -1.608 7.078 12 HE1 TRP 2 1HE TRP 2 5.192 -3.746 7.026 13 HE3 TRP 2 3HE TRP 2 8.232 0.371 8.573 14 HZ2 TRP 2 2HZ TRP 2 7.863 -4.496 7.550 15 HZ3 TRP 2 3HZ TRP 2 10.176 -1.125 8.773 16 HH2 TRP 2 HH TRP 2 9.992 -3.508 8.272 17 H GLN 3 H GLN 3 2.718 2.540 8.585 18 HA GLN 3 HA GLN 3 2.186 4.722 8.948 19 HB3 GLN 3 2HB GLN 3 4.047 6.387 8.267 20 HG3 GLN 3 2HG GLN 3 4.711 4.123 10.136 21 HE21 GLN 3 1HE2 GLN 3 5.279 6.370 12.027 22 HE22 GLN 3 2HE2 GLN 3 6.881 6.880 11.631 23 H ARG 4 H ARG 4 1.451 3.428 6.397 24 HA ARG 4 HA ARG 4 1.488 5.618 4.481 25 HB3 ARG 4 2HB ARG 4 -0.103 3.660 3.389 26 HG3 ARG 4 2HG ARG 4 2.829 3.286 3.133 27 HD3 ARG 4 2HD ARG 4 0.707 2.401 1.717 28 HE ARG 4 HE ARG 4 0.740 4.995 0.883 29 HH11 ARG 4 1HH1 ARG 4 1.376 1.924 -0.630 30 HH12 ARG 4 2HH1 ARG 4 0.853 2.442 -2.199 31 HH21 ARG 4 1HH2 ARG 4 0.048 5.687 -1.178 32 HH22 ARG 4 2HH2 ARG 4 0.099 4.582 -2.509 33 H ARG 5 H ARG 5 -0.843 3.775 6.405 34 HA ARG 5 HA ARG 5 -3.014 5.511 5.526 35 HB3 ARG 5 2HB ARG 5 -4.084 3.846 7.430 36 HG3 ARG 5 2HG ARG 5 -3.974 3.862 4.508 37 HD3 ARG 5 2HD ARG 5 -4.966 1.659 4.246 38 HE ARG 5 HE ARG 5 -2.531 0.920 5.609 39 HH11 ARG 5 1HH1 ARG 5 -3.942 2.325 2.754 40 HH12 ARG 5 2HH1 ARG 5 -2.564 1.999 1.755 41 HH21 ARG 5 1HH2 ARG 5 -0.712 0.485 4.304 42 HH22 ARG 5 2HH2 ARG 5 -0.728 0.952 2.637 43 H GLN 6 H GLN 6 -0.667 5.561 7.864 44 HA GLN 6 HA GLN 6 -1.969 6.333 10.198 45 HB3 GLN 6 2HB GLN 6 0.414 5.839 10.137 46 HG3 GLN 6 2HG GLN 6 0.652 7.267 7.906 47 HE21 GLN 6 1HE2 GLN 6 2.833 8.897 7.890 48 HE22 GLN 6 2HE2 GLN 6 2.421 10.440 8.547 49 H ARG 7 H ARG 7 -1.531 8.033 7.231 50 HA ARG 7 HA ARG 7 -2.005 10.651 8.336 51 HB3 ARG 7 2HB ARG 7 -2.363 11.121 5.767 52 HG3 ARG 7 2HG ARG 7 0.122 10.659 7.282 53 HD3 ARG 7 2HD ARG 7 0.628 11.468 4.521 54 HE ARG 7 HE ARG 7 2.030 10.003 6.568 55 HH11 ARG 7 1HH1 ARG 7 1.944 10.896 3.204 56 HH12 ARG 7 2HH1 ARG 7 3.643 10.649 2.961 57 HH21 ARG 7 1HH2 ARG 7 4.267 9.674 6.261 58 HH22 ARG 7 2HH2 ARG 7 4.962 9.953 4.699 59 H ARG 8 H ARG 8 -3.918 8.021 7.243 60 HA ARG 8 HA ARG 8 -6.282 9.696 6.867 61 HB3 ARG 8 2HB ARG 8 -7.204 7.190 6.499 62 HG3 ARG 8 2HG ARG 8 -6.229 9.263 4.756 63 HD3 ARG 8 2HD ARG 8 -6.337 6.667 3.337 64 HE ARG 8 HE ARG 8 -5.518 9.274 2.689 65 HH11 ARG 8 1HH1 ARG 8 -4.563 5.961 2.201 66 HH12 ARG 8 2HH1 ARG 8 -3.786 6.272 0.684 67 HH21 ARG 8 1HH2 ARG 8 -4.498 9.695 0.693 68 HH22 ARG 8 2HH2 ARG 8 -3.749 8.397 -0.173 69 H GLY 9 H GLY 9 -4.985 7.217 9.007 70 HA2 GLY 9 2HA GLY 9 -5.670 7.576 11.389 71 HA3 GLY 9 3HA GLY 9 -7.317 7.633 10.775 72 H GLU 10 H GLU 10 -5.321 5.394 9.172 73 HA GLU 10 HA GLU 10 -6.485 3.202 10.761 74 HB3 GLU 10 2HB GLU 10 -6.139 1.908 8.525 75 HG3 GLU 10 2HG GLU 10 -8.288 3.979 8.364 76 H GLU 11 H GLU 11 -3.632 4.581 9.400 77 HA GLU 11 HA GLU 11 -1.428 4.130 9.792 78 HB3 GLU 11 2HB GLU 11 -2.091 1.661 11.345 79 HG3 GLU 11 2HG GLU 11 -0.176 3.890 11.978 80 H ARG 12 H ARG 12 -3.071 0.965 9.635 81 HA ARG 12 HA ARG 12 -1.550 0.385 7.189 82 HB3 ARG 12 2HB ARG 12 -1.122 -1.893 7.957 83 HG3 ARG 12 2HG ARG 12 0.139 -1.204 10.218 84 HD3 ARG 12 2HD ARG 12 1.293 -0.011 7.765 85 HE ARG 12 HE ARG 12 3.067 -0.520 9.104 86 HH11 ARG 12 1HH1 ARG 12 0.796 -3.155 9.219 87 HH12 ARG 12 2HH1 ARG 12 1.827 -4.173 10.171 88 HH21 ARG 12 1HH2 ARG 12 4.432 -1.849 10.356 89 HH22 ARG 12 2HH2 ARG 12 3.894 -3.429 10.818 90 H LYS 13 H LYS 13 -2.509 -1.221 5.815 91 HA LYS 13 HA LYS 13 -5.277 -0.942 5.499 92 HB3 LYS 13 2HB LYS 13 -3.864 -1.503 3.621 93 HG3 LYS 13 2HG LYS 13 -3.485 -4.262 4.743 94 HD3 LYS 13 2HD LYS 13 -1.590 -4.163 3.033 95 HE3 LYS 13 2HE LYS 13 -4.291 -3.921 1.752 96 HZ1 LYS 13 3HZ LYS 13 -2.470 -4.492 0.312 97 HZ2 LYS 13 1HZ LYS 13 -3.459 -5.851 0.513 98 HZ3 LYS 13 2HZ LYS 13 -1.986 -5.748 1.338 99 H ALA 14 H ALA 14 -6.937 -1.880 6.484 100 HA ALA 14 HA ALA 14 -6.640 -4.578 7.574 101 HB1 ALA 14 1HB ALA 14 -6.281 -3.591 9.589 102 HB2 ALA 14 2HB ALA 14 -7.143 -2.117 9.148 103 HB3 ALA 14 3HB ALA 14 -8.044 -3.567 9.591 104 HA PRO 15 HA PRO 15 -10.713 -5.249 6.088 105 HB3 PRO 15 2HB PRO 15 -10.528 -7.413 6.836 106 HG3 PRO 15 2HG PRO 15 -9.457 -7.901 8.842 107 HD3 PRO 15 2HD PRO 15 -7.862 -6.558 7.858 Start of MODEL 3 1 H1 MET 1 H MET 1 4.834 1.319 1.214 2 HA MET 1 HA MET 1 3.440 -0.157 2.334 3 HB3 MET 1 2HB MET 1 6.079 -0.808 3.651 4 HG3 MET 1 2HG MET 1 3.655 -2.433 2.976 5 HE1 MET 1 3HE MET 1 4.142 -5.682 3.033 6 HE2 MET 1 1HE MET 1 5.173 -5.707 4.463 7 HE3 MET 1 2HE MET 1 3.783 -4.625 4.398 8 H TRP 2 H TRP 2 5.786 0.955 4.785 9 HA TRP 2 HA TRP 2 3.695 0.863 6.810 10 HB3 TRP 2 2HB TRP 2 5.709 1.619 8.282 11 HD1 TRP 2 HD TRP 2 5.888 -1.489 5.940 12 HE1 TRP 2 1HE TRP 2 5.793 -3.590 7.423 13 HE3 TRP 2 3HE TRP 2 5.508 0.762 10.515 14 HZ2 TRP 2 2HZ TRP 2 5.584 -4.212 10.169 15 HZ3 TRP 2 3HZ TRP 2 5.364 -0.658 12.520 16 HH2 TRP 2 HH TRP 2 5.402 -3.093 12.348 17 H GLN 3 H GLN 3 3.110 2.645 8.102 18 HA GLN 3 HA GLN 3 2.481 4.800 8.467 19 HB3 GLN 3 2HB GLN 3 4.191 6.553 8.087 20 HG3 GLN 3 2HG GLN 3 4.844 4.043 9.505 21 HE21 GLN 3 1HE2 GLN 3 6.705 4.534 11.170 22 HE22 GLN 3 2HE2 GLN 3 8.213 4.953 10.436 23 H ARG 4 H ARG 4 1.873 3.468 5.887 24 HA ARG 4 HA ARG 4 1.809 5.672 3.987 25 HB3 ARG 4 2HB ARG 4 0.364 3.638 2.844 26 HG3 ARG 4 2HG ARG 4 3.318 3.419 2.671 27 HD3 ARG 4 2HD ARG 4 2.897 3.156 0.356 28 HE ARG 4 HE ARG 4 1.574 1.463 2.094 29 HH11 ARG 4 1HH1 ARG 4 1.248 2.498 -1.213 30 HH12 ARG 4 2HH1 ARG 4 0.529 1.013 -1.745 31 HH21 ARG 4 1HH2 ARG 4 0.629 -0.496 1.408 32 HH22 ARG 4 2HH2 ARG 4 0.178 -0.689 -0.252 33 H ARG 5 H ARG 5 -0.380 3.798 6.006 34 HA ARG 5 HA ARG 5 -2.668 5.341 5.039 35 HB3 ARG 5 2HB ARG 5 -3.770 3.708 6.850 36 HG3 ARG 5 2HG ARG 5 -2.923 2.405 4.305 37 HD3 ARG 5 2HD ARG 5 -4.639 1.607 6.180 38 HE ARG 5 HE ARG 5 -6.061 3.736 5.360 39 HH11 ARG 5 1HH1 ARG 5 -6.509 0.310 4.935 40 HH12 ARG 5 2HH1 ARG 5 -8.237 0.410 4.875 41 HH21 ARG 5 1HH2 ARG 5 -8.336 3.882 5.284 42 HH22 ARG 5 2HH2 ARG 5 -9.276 2.443 5.074 43 H GLN 6 H GLN 6 -0.346 5.549 7.409 44 HA GLN 6 HA GLN 6 -1.708 6.301 9.710 45 HB3 GLN 6 2HB GLN 6 0.570 7.972 9.486 46 HG3 GLN 6 2HG GLN 6 0.664 5.236 10.686 47 HE21 GLN 6 1HE2 GLN 6 0.927 8.608 11.744 48 HE22 GLN 6 2HE2 GLN 6 2.547 8.479 12.330 49 H ARG 7 H ARG 7 -1.023 8.117 6.790 50 HA ARG 7 HA ARG 7 -1.733 10.670 7.808 51 HB3 ARG 7 2HB ARG 7 -2.127 11.067 5.231 52 HG3 ARG 7 2HG ARG 7 0.394 10.721 6.727 53 HD3 ARG 7 2HD ARG 7 0.777 11.536 3.935 54 HE ARG 7 HE ARG 7 2.474 9.546 5.146 55 HH11 ARG 7 1HH1 ARG 7 1.766 12.942 4.853 56 HH12 ARG 7 2HH1 ARG 7 3.362 13.446 5.299 57 HH21 ARG 7 1HH2 ARG 7 4.579 10.198 5.734 58 HH22 ARG 7 2HH2 ARG 7 4.962 11.885 5.799 59 H ARG 8 H ARG 8 -3.559 7.951 6.793 60 HA ARG 8 HA ARG 8 -5.983 9.531 6.391 61 HB3 ARG 8 2HB ARG 8 -6.833 7.001 6.087 62 HG3 ARG 8 2HG ARG 8 -5.766 8.994 4.252 63 HD3 ARG 8 2HD ARG 8 -5.985 6.160 3.262 64 HE ARG 8 HE ARG 8 -4.590 8.060 1.659 65 HH11 ARG 8 1HH1 ARG 8 -7.761 6.912 2.524 66 HH12 ARG 8 2HH1 ARG 8 -8.491 7.411 1.035 67 HH21 ARG 8 1HH2 ARG 8 -5.541 8.723 -0.307 68 HH22 ARG 8 2HH2 ARG 8 -7.227 8.441 -0.576 69 H GLY 9 H GLY 9 -4.546 7.238 8.625 70 HA2 GLY 9 2HA GLY 9 -5.237 7.608 10.986 71 HA3 GLY 9 3HA GLY 9 -6.889 7.601 10.389 72 H GLU 10 H GLU 10 -4.820 5.376 8.849 73 HA GLU 10 HA GLU 10 -5.894 3.199 10.521 74 HB3 GLU 10 2HB GLU 10 -5.469 1.906 8.229 75 HG3 GLU 10 2HG GLU 10 -7.914 3.421 7.891 76 H GLU 11 H GLU 11 -3.128 4.753 9.402 77 HA GLU 11 HA GLU 11 -0.916 4.363 9.822 78 HB3 GLU 11 2HB GLU 11 -1.510 1.650 10.939 79 HG3 GLU 11 2HG GLU 11 0.765 3.201 10.878 80 H ARG 12 H ARG 12 -2.385 1.197 9.074 81 HA ARG 12 HA ARG 12 -0.901 1.128 6.564 82 HB3 ARG 12 2HB ARG 12 -0.415 -1.391 7.262 83 HG3 ARG 12 2HG ARG 12 1.178 1.058 7.799 84 HD3 ARG 12 2HD ARG 12 1.856 -0.209 9.675 85 HE ARG 12 HE ARG 12 1.388 -2.440 9.600 86 HH11 ARG 12 1HH1 ARG 12 3.045 -1.548 6.671 87 HH12 ARG 12 2HH1 ARG 12 3.173 -3.177 6.093 88 HH21 ARG 12 1HH2 ARG 12 1.551 -4.588 8.850 89 HH22 ARG 12 2HH2 ARG 12 2.322 -4.906 7.333 90 H LYS 13 H LYS 13 -1.694 -0.453 5.063 91 HA LYS 13 HA LYS 13 -4.485 -0.658 4.991 92 HB3 LYS 13 2HB LYS 13 -2.564 -2.437 3.489 93 HG3 LYS 13 2HG LYS 13 -5.075 -2.803 3.289 94 HD3 LYS 13 2HD LYS 13 -4.804 -0.170 1.842 95 HE3 LYS 13 2HE LYS 13 -6.087 -1.771 0.503 96 HZ1 LYS 13 3HZ LYS 13 -7.538 -2.159 3.038 97 HZ2 LYS 13 1HZ LYS 13 -6.987 -3.318 1.935 98 HZ3 LYS 13 2HZ LYS 13 -8.339 -2.372 1.563 99 H ALA 14 H ALA 14 -5.771 -1.882 6.188 100 HA ALA 14 HA ALA 14 -5.046 -4.666 6.688 101 HB1 ALA 14 1HB ALA 14 -4.353 -4.091 8.754 102 HB2 ALA 14 2HB ALA 14 -5.254 -2.574 8.751 103 HB3 ALA 14 3HB ALA 14 -6.082 -4.089 9.107 104 HA PRO 15 HA PRO 15 -9.294 -5.503 5.980 105 HB3 PRO 15 2HB PRO 15 -8.803 -7.731 6.250 106 HG3 PRO 15 2HG PRO 15 -7.281 -8.437 7.860 107 HD3 PRO 15 2HD PRO 15 -6.040 -6.785 6.839 Start of MODEL 4 1 H1 MET 1 H MET 1 2.700 0.021 1.626 2 HA MET 1 HA MET 1 1.142 -0.554 3.271 3 HB3 MET 1 2HB MET 1 2.391 -2.576 2.470 4 HG3 MET 1 2HG MET 1 3.884 -2.242 5.060 5 HE1 MET 1 3HE MET 1 2.754 -4.026 6.053 6 HE2 MET 1 1HE MET 1 1.999 -5.218 4.994 7 HE3 MET 1 2HE MET 1 3.377 -5.676 5.996 8 H TRP 2 H TRP 2 4.295 0.309 4.441 9 HA TRP 2 HA TRP 2 3.327 0.437 7.201 10 HB3 TRP 2 2HB TRP 2 5.746 1.003 7.699 11 HD1 TRP 2 HD TRP 2 4.028 -1.357 8.589 12 HE1 TRP 2 1HE TRP 2 4.897 -3.779 8.540 13 HE3 TRP 2 3HE TRP 2 7.771 -0.808 5.148 14 HZ2 TRP 2 2HZ TRP 2 6.903 -5.261 7.218 15 HZ3 TRP 2 3HZ TRP 2 9.118 -2.777 4.548 16 HH2 TRP 2 HH TRP 2 8.693 -4.957 5.562 17 H GLN 3 H GLN 3 2.675 2.287 8.079 18 HA GLN 3 HA GLN 3 2.268 4.499 8.414 19 HB3 GLN 3 2HB GLN 3 4.232 5.958 7.202 20 HG3 GLN 3 2HG GLN 3 5.476 4.955 9.495 21 HE21 GLN 3 1HE2 GLN 3 2.809 7.096 8.561 22 HE22 GLN 3 2HE2 GLN 3 3.524 8.541 9.179 23 H ARG 4 H ARG 4 1.540 3.055 5.837 24 HA ARG 4 HA ARG 4 1.371 5.238 3.928 25 HB3 ARG 4 2HB ARG 4 -0.137 3.211 2.873 26 HG3 ARG 4 2HG ARG 4 2.815 2.969 2.610 27 HD3 ARG 4 2HD ARG 4 1.130 1.676 1.244 28 HE ARG 4 HE ARG 4 -0.516 3.031 0.398 29 HH11 ARG 4 1HH1 ARG 4 2.597 4.461 -0.222 30 HH12 ARG 4 2HH1 ARG 4 1.968 5.694 -1.263 31 HH21 ARG 4 1HH2 ARG 4 -1.355 4.650 -0.972 32 HH22 ARG 4 2HH2 ARG 4 -0.280 5.801 -1.690 33 H ARG 5 H ARG 5 -0.640 3.579 6.238 34 HA ARG 5 HA ARG 5 -3.023 4.989 5.285 35 HB3 ARG 5 2HB ARG 5 -4.301 3.511 6.666 36 HG3 ARG 5 2HG ARG 5 -3.683 1.297 5.928 37 HD3 ARG 5 2HD ARG 5 -3.447 1.696 3.518 38 HE ARG 5 HE ARG 5 -5.434 3.079 5.057 39 HH11 ARG 5 1HH1 ARG 5 -4.261 2.428 1.844 40 HH12 ARG 5 2HH1 ARG 5 -5.791 2.720 1.085 41 HH21 ARG 5 1HH2 ARG 5 -7.454 3.466 4.070 42 HH22 ARG 5 2HH2 ARG 5 -7.607 3.311 2.352 43 H GLN 6 H GLN 6 -0.529 5.442 7.434 44 HA GLN 6 HA GLN 6 -1.716 6.411 9.750 45 HB3 GLN 6 2HB GLN 6 0.538 8.051 9.079 46 HG3 GLN 6 2HG GLN 6 0.979 5.666 10.736 47 HE21 GLN 6 1HE2 GLN 6 2.621 6.057 12.061 48 HE22 GLN 6 2HE2 GLN 6 3.305 7.612 12.378 49 H ARG 7 H ARG 7 -1.399 7.879 6.601 50 HA ARG 7 HA ARG 7 -2.012 10.540 7.405 51 HB3 ARG 7 2HB ARG 7 -2.677 10.645 4.854 52 HG3 ARG 7 2HG ARG 7 -0.039 10.542 6.140 53 HD3 ARG 7 2HD ARG 7 0.271 10.928 3.291 54 HE ARG 7 HE ARG 7 1.763 8.863 4.635 55 HH11 ARG 7 1HH1 ARG 7 1.440 12.281 4.065 56 HH12 ARG 7 2HH1 ARG 7 3.096 12.632 4.434 57 HH21 ARG 7 1HH2 ARG 7 3.945 9.311 5.125 58 HH22 ARG 7 2HH2 ARG 7 4.521 10.941 5.036 59 H ARG 8 H ARG 8 -3.898 7.719 6.793 60 HA ARG 8 HA ARG 8 -6.370 9.261 6.561 61 HB3 ARG 8 2HB ARG 8 -7.277 6.779 6.425 62 HG3 ARG 8 2HG ARG 8 -6.178 8.566 4.411 63 HD3 ARG 8 2HD ARG 8 -6.476 5.646 3.719 64 HE ARG 8 HE ARG 8 -6.690 6.549 1.640 65 HH11 ARG 8 1HH1 ARG 8 -4.455 8.497 3.464 66 HH12 ARG 8 2HH1 ARG 8 -4.059 9.528 2.129 67 HH21 ARG 8 1HH2 ARG 8 -6.178 7.899 -0.127 68 HH22 ARG 8 2HH2 ARG 8 -5.041 9.186 0.087 69 H GLY 9 H GLY 9 -4.649 7.155 8.764 70 HA2 GLY 9 2HA GLY 9 -5.115 7.650 11.155 71 HA3 GLY 9 3HA GLY 9 -6.818 7.554 10.732 72 H GLU 10 H GLU 10 -4.759 5.308 9.170 73 HA GLU 10 HA GLU 10 -5.665 3.200 11.020 74 HB3 GLU 10 2HB GLU 10 -5.176 1.846 8.720 75 HG3 GLU 10 2HG GLU 10 -7.798 2.735 8.363 76 H GLU 11 H GLU 11 -3.007 4.714 9.504 77 HA GLU 11 HA GLU 11 -0.759 4.452 9.819 78 HB3 GLU 11 2HB GLU 11 -1.194 1.960 11.425 79 HG3 GLU 11 2HG GLU 11 1.020 3.564 10.935 80 H ARG 12 H ARG 12 -2.153 1.166 9.737 81 HA ARG 12 HA ARG 12 -0.550 0.655 7.320 82 HB3 ARG 12 2HB ARG 12 -0.237 -1.660 8.080 83 HG3 ARG 12 2HG ARG 12 0.794 0.602 9.662 84 HD3 ARG 12 2HD ARG 12 0.175 -1.109 11.379 85 HE ARG 12 HE ARG 12 1.629 -2.890 9.660 86 HH11 ARG 12 1HH1 ARG 12 0.677 -2.236 12.944 87 HH12 ARG 12 2HH1 ARG 12 0.819 -3.887 13.452 88 HH21 ARG 12 1HH2 ARG 12 1.820 -5.066 10.316 89 HH22 ARG 12 2HH2 ARG 12 1.470 -5.496 11.956 90 H LYS 13 H LYS 13 -1.433 -0.874 5.831 91 HA LYS 13 HA LYS 13 -4.193 -0.584 5.390 92 HB3 LYS 13 2HB LYS 13 -3.860 -2.339 3.636 93 HG3 LYS 13 2HG LYS 13 -2.121 0.060 3.820 94 HD3 LYS 13 2HD LYS 13 -0.872 -1.942 2.709 95 HE3 LYS 13 2HE LYS 13 -1.387 -1.965 0.235 96 HZ1 LYS 13 3HZ LYS 13 -2.795 -3.750 0.445 97 HZ2 LYS 13 1HZ LYS 13 -3.692 -3.057 1.701 98 HZ3 LYS 13 2HZ LYS 13 -2.147 -3.675 2.005 99 H ALA 14 H ALA 14 -5.906 -1.683 6.100 100 HA ALA 14 HA ALA 14 -5.488 -4.345 7.281 101 HB1 ALA 14 1HB ALA 14 -6.505 -1.930 8.578 102 HB2 ALA 14 2HB ALA 14 -7.538 -3.345 8.782 103 HB3 ALA 14 3HB ALA 14 -5.848 -3.408 9.282 104 HA PRO 15 HA PRO 15 -8.964 -5.696 4.969 105 HB3 PRO 15 2HB PRO 15 -8.626 -7.784 5.865 106 HG3 PRO 15 2HG PRO 15 -7.975 -8.046 8.082 107 HD3 PRO 15 2HD PRO 15 -6.423 -6.487 7.395 Start of MODEL 5 1 H1 MET 1 H MET 1 4.804 -1.649 2.828 2 HA MET 1 HA MET 1 2.013 -1.161 3.388 3 HB3 MET 1 2HB MET 1 1.915 -3.456 4.070 4 HG3 MET 1 2HG MET 1 3.986 -3.654 1.940 5 HE1 MET 1 3HE MET 1 3.381 -6.213 0.174 6 HE2 MET 1 1HE MET 1 4.481 -5.576 1.397 7 HE3 MET 1 2HE MET 1 3.639 -7.100 1.677 8 H TRP 2 H TRP 2 4.075 0.439 4.770 9 HA TRP 2 HA TRP 2 3.081 0.014 7.481 10 HB3 TRP 2 2HB TRP 2 5.267 -1.174 7.321 11 HD1 TRP 2 HD TRP 2 6.080 0.012 4.689 12 HE1 TRP 2 1HE TRP 2 8.306 1.251 4.324 13 HE3 TRP 2 3HE TRP 2 7.105 1.286 9.533 14 HZ2 TRP 2 2HZ TRP 2 10.241 2.591 5.882 15 HZ3 TRP 2 3HZ TRP 2 9.163 2.545 10.011 16 HH2 TRP 2 HH TRP 2 10.698 3.183 8.223 17 H GLN 3 H GLN 3 2.552 1.875 8.451 18 HA GLN 3 HA GLN 3 2.228 4.098 8.800 19 HB3 GLN 3 2HB GLN 3 4.328 5.528 7.981 20 HG3 GLN 3 2HG GLN 3 4.430 3.602 10.291 21 HE21 GLN 3 1HE2 GLN 3 6.407 3.390 11.031 22 HE22 GLN 3 2HE2 GLN 3 7.622 4.618 11.070 23 H ARG 4 H ARG 4 1.615 2.802 6.145 24 HA ARG 4 HA ARG 4 1.807 5.040 4.298 25 HB3 ARG 4 2HB ARG 4 0.245 3.097 3.089 26 HG3 ARG 4 2HG ARG 4 3.187 2.794 2.891 27 HD3 ARG 4 2HD ARG 4 0.851 2.933 1.011 28 HE ARG 4 HE ARG 4 3.366 3.840 0.306 29 HH11 ARG 4 1HH1 ARG 4 1.165 1.339 -0.705 30 HH12 ARG 4 2HH1 ARG 4 1.711 1.341 -2.349 31 HH21 ARG 4 1HH2 ARG 4 4.093 3.853 -1.856 32 HH22 ARG 4 2HH2 ARG 4 3.377 2.771 -3.002 33 H ARG 5 H ARG 5 -0.539 3.437 6.319 34 HA ARG 5 HA ARG 5 -2.709 5.055 5.202 35 HB3 ARG 5 2HB ARG 5 -4.056 3.628 6.918 36 HG3 ARG 5 2HG ARG 5 -3.104 1.664 5.024 37 HD3 ARG 5 2HD ARG 5 -5.359 1.790 6.083 38 HE ARG 5 HE ARG 5 -5.507 4.361 5.318 39 HH11 ARG 5 1HH1 ARG 5 -7.325 1.537 4.398 40 HH12 ARG 5 2HH1 ARG 5 -8.781 2.419 4.077 41 HH21 ARG 5 1HH2 ARG 5 -7.418 5.533 4.898 42 HH22 ARG 5 2HH2 ARG 5 -8.832 4.692 4.361 43 H GLN 6 H GLN 6 -0.422 5.256 7.596 44 HA GLN 6 HA GLN 6 -1.779 6.206 9.831 45 HB3 GLN 6 2HB GLN 6 0.646 7.698 9.461 46 HG3 GLN 6 2HG GLN 6 0.433 5.197 11.084 47 HE21 GLN 6 1HE2 GLN 6 1.268 8.648 11.104 48 HE22 GLN 6 2HE2 GLN 6 2.760 8.456 11.953 49 H ARG 7 H ARG 7 -1.046 7.766 6.800 50 HA ARG 7 HA ARG 7 -1.554 10.431 7.667 51 HB3 ARG 7 2HB ARG 7 -1.931 10.689 5.068 52 HG3 ARG 7 2HG ARG 7 0.542 10.339 6.615 53 HD3 ARG 7 2HD ARG 7 1.155 10.838 3.826 54 HE ARG 7 HE ARG 7 2.407 8.644 5.213 55 HH11 ARG 7 1HH1 ARG 7 2.311 12.095 4.764 56 HH12 ARG 7 2HH1 ARG 7 3.939 12.342 5.303 57 HH21 ARG 7 1HH2 ARG 7 4.552 8.956 5.924 58 HH22 ARG 7 2HH2 ARG 7 5.213 10.555 5.962 59 H ARG 8 H ARG 8 -3.554 7.776 6.844 60 HA ARG 8 HA ARG 8 -5.873 9.476 6.326 61 HB3 ARG 8 2HB ARG 8 -6.900 7.010 6.186 62 HG3 ARG 8 2HG ARG 8 -5.786 8.819 4.260 63 HD3 ARG 8 2HD ARG 8 -5.872 6.028 3.217 64 HE ARG 8 HE ARG 8 -3.991 7.904 2.148 65 HH11 ARG 8 1HH1 ARG 8 -7.324 6.900 2.119 66 HH12 ARG 8 2HH1 ARG 8 -7.636 7.531 0.536 67 HH21 ARG 8 1HH2 ARG 8 -4.389 8.739 0.063 68 HH22 ARG 8 2HH2 ARG 8 -5.966 8.576 -0.633 69 H GLY 9 H GLY 9 -4.588 7.244 8.713 70 HA2 GLY 9 2HA GLY 9 -5.244 7.839 11.044 71 HA3 GLY 9 3HA GLY 9 -6.896 7.886 10.445 72 H GLU 10 H GLU 10 -4.934 5.436 9.100 73 HA GLU 10 HA GLU 10 -6.133 3.455 10.924 74 HB3 GLU 10 2HB GLU 10 -5.874 1.951 8.773 75 HG3 GLU 10 2HG GLU 10 -8.091 3.978 8.806 76 H GLU 11 H GLU 11 -3.298 4.791 9.779 77 HA GLU 11 HA GLU 11 -1.111 4.293 10.203 78 HB3 GLU 11 2HB GLU 11 -0.524 2.663 11.797 79 HG3 GLU 11 2HG GLU 11 -1.954 2.949 13.630 80 H ARG 12 H ARG 12 -2.726 1.167 9.597 81 HA ARG 12 HA ARG 12 -1.099 0.885 7.167 82 HB3 ARG 12 2HB ARG 12 -0.442 -1.314 7.677 83 HG3 ARG 12 2HG ARG 12 -0.253 -0.586 10.495 84 HD3 ARG 12 2HD ARG 12 2.249 -0.500 9.446 85 HE ARG 12 HE ARG 12 0.991 -2.252 11.052 86 HH11 ARG 12 1HH1 ARG 12 3.043 -2.663 8.271 87 HH12 ARG 12 2HH1 ARG 12 3.683 -4.183 8.804 88 HH21 ARG 12 1HH2 ARG 12 1.825 -4.251 11.766 89 HH22 ARG 12 2HH2 ARG 12 2.988 -5.086 10.792 90 H LYS 13 H LYS 13 -1.982 -0.572 5.584 91 HA LYS 13 HA LYS 13 -4.731 -0.267 5.172 92 HB3 LYS 13 2HB LYS 13 -2.854 -2.298 3.948 93 HG3 LYS 13 2HG LYS 13 -4.595 -1.655 1.987 94 HD3 LYS 13 2HD LYS 13 -5.823 -3.841 2.991 95 HE3 LYS 13 2HE LYS 13 -3.177 -3.581 1.591 96 HZ1 LYS 13 3HZ LYS 13 -4.290 -5.924 2.748 97 HZ2 LYS 13 1HZ LYS 13 -2.815 -5.726 1.945 98 HZ3 LYS 13 2HZ LYS 13 -4.216 -6.072 1.064 99 H ALA 14 H ALA 14 -6.351 -1.184 6.231 100 HA ALA 14 HA ALA 14 -6.111 -4.011 7.003 101 HB1 ALA 14 1HB ALA 14 -6.503 -1.711 8.745 102 HB2 ALA 14 2HB ALA 14 -7.741 -2.952 8.949 103 HB3 ALA 14 3HB ALA 14 -6.037 -3.366 9.139 104 HA PRO 15 HA PRO 15 -10.085 -4.623 5.246 105 HB3 PRO 15 2HB PRO 15 -9.918 -6.830 5.864 106 HG3 PRO 15 2HG PRO 15 -8.961 -7.438 7.895 107 HD3 PRO 15 2HD PRO 15 -7.329 -6.019 7.096 Start of MODEL 6 1 H1 MET 1 H MET 1 5.225 -1.181 2.494 2 HA MET 1 HA MET 1 3.395 0.495 3.047 3 HB3 MET 1 2HB MET 1 1.824 -1.290 3.957 4 HG3 MET 1 2HG MET 1 3.338 -2.393 1.634 5 HE1 MET 1 3HE MET 1 1.131 -5.122 2.146 6 HE2 MET 1 1HE MET 1 2.408 -4.251 2.994 7 HE3 MET 1 2HE MET 1 0.764 -4.248 3.632 8 H TRP 2 H TRP 2 5.208 1.362 4.851 9 HA TRP 2 HA TRP 2 3.834 1.071 7.442 10 HB3 TRP 2 2HB TRP 2 6.055 1.872 8.408 11 HD1 TRP 2 HD TRP 2 4.512 -0.559 9.176 12 HE1 TRP 2 1HE TRP 2 5.522 -2.925 9.266 13 HE3 TRP 2 3HE TRP 2 8.510 0.148 6.070 14 HZ2 TRP 2 2HZ TRP 2 7.724 -4.308 8.165 15 HZ3 TRP 2 3HZ TRP 2 10.020 -1.747 5.640 16 HH2 TRP 2 HH TRP 2 9.634 -3.927 6.668 17 H GLN 3 H GLN 3 3.070 2.858 8.429 18 HA GLN 3 HA GLN 3 2.409 5.011 8.737 19 HB3 GLN 3 2HB GLN 3 4.045 6.743 8.522 20 HG3 GLN 3 2HG GLN 3 5.445 4.153 9.143 21 HE21 GLN 3 1HE2 GLN 3 7.118 4.580 10.886 22 HE22 GLN 3 2HE2 GLN 3 8.193 5.904 10.606 23 H ARG 4 H ARG 4 1.845 3.571 6.193 24 HA ARG 4 HA ARG 4 1.708 5.709 4.226 25 HB3 ARG 4 2HB ARG 4 0.299 3.577 3.186 26 HG3 ARG 4 2HG ARG 4 3.248 3.477 2.914 27 HD3 ARG 4 2HD ARG 4 1.455 2.227 1.537 28 HE ARG 4 HE ARG 4 0.628 4.799 0.894 29 HH11 ARG 4 1HH1 ARG 4 1.583 1.888 -0.760 30 HH12 ARG 4 2HH1 ARG 4 0.594 2.197 -2.149 31 HH21 ARG 4 1HH2 ARG 4 -0.678 5.218 -0.929 32 HH22 ARG 4 2HH2 ARG 4 -0.690 4.092 -2.244 33 H ARG 5 H ARG 5 -0.411 3.886 6.350 34 HA ARG 5 HA ARG 5 -2.758 5.286 5.315 35 HB3 ARG 5 2HB ARG 5 -4.079 3.712 6.470 36 HG3 ARG 5 2HG ARG 5 -3.269 1.533 5.881 37 HD3 ARG 5 2HD ARG 5 -2.679 1.862 3.557 38 HE ARG 5 HE ARG 5 -4.785 3.480 4.676 39 HH11 ARG 5 1HH1 ARG 5 -3.206 2.409 1.764 40 HH12 ARG 5 2HH1 ARG 5 -4.584 2.701 0.755 41 HH21 ARG 5 1HH2 ARG 5 -6.605 3.869 3.358 42 HH22 ARG 5 2HH2 ARG 5 -6.516 3.532 1.662 43 H GLN 6 H GLN 6 -0.412 5.760 7.618 44 HA GLN 6 HA GLN 6 -1.762 6.636 9.881 45 HB3 GLN 6 2HB GLN 6 0.574 8.257 9.117 46 HG3 GLN 6 2HG GLN 6 -0.025 6.443 11.440 47 HE21 GLN 6 1HE2 GLN 6 2.205 5.618 10.685 48 HE22 GLN 6 2HE2 GLN 6 3.564 6.399 11.412 49 H ARG 7 H ARG 7 -1.260 8.214 6.801 50 HA ARG 7 HA ARG 7 -2.018 10.824 7.627 51 HB3 ARG 7 2HB ARG 7 -2.511 11.001 5.051 52 HG3 ARG 7 2HG ARG 7 0.027 10.906 6.505 53 HD3 ARG 7 2HD ARG 7 0.667 11.319 3.754 54 HE ARG 7 HE ARG 7 1.746 9.774 5.934 55 HH11 ARG 7 1HH1 ARG 7 1.973 10.525 2.542 56 HH12 ARG 7 2HH1 ARG 7 3.635 10.053 2.415 57 HH21 ARG 7 1HH2 ARG 7 3.934 9.149 5.779 58 HH22 ARG 7 2HH2 ARG 7 4.749 9.269 4.258 59 H ARG 8 H ARG 8 -3.776 7.967 6.888 60 HA ARG 8 HA ARG 8 -6.273 9.432 6.484 61 HB3 ARG 8 2HB ARG 8 -7.063 6.886 6.343 62 HG3 ARG 8 2HG ARG 8 -6.103 8.781 4.383 63 HD3 ARG 8 2HD ARG 8 -6.127 5.925 3.468 64 HE ARG 8 HE ARG 8 -4.606 7.817 1.984 65 HH11 ARG 8 1HH1 ARG 8 -7.851 6.718 2.598 66 HH12 ARG 8 2HH1 ARG 8 -8.456 7.229 1.058 67 HH21 ARG 8 1HH2 ARG 8 -5.390 8.496 -0.048 68 HH22 ARG 8 2HH2 ARG 8 -7.055 8.241 -0.447 69 H GLY 9 H GLY 9 -4.667 7.326 8.789 70 HA2 GLY 9 2HA GLY 9 -5.288 7.834 11.151 71 HA3 GLY 9 3HA GLY 9 -6.958 7.705 10.619 72 H GLU 10 H GLU 10 -4.787 5.493 9.176 73 HA GLU 10 HA GLU 10 -5.731 3.376 10.997 74 HB3 GLU 10 2HB GLU 10 -5.707 1.842 9.092 75 HG3 GLU 10 2HG GLU 10 -7.499 4.037 9.318 76 H GLU 11 H GLU 11 -3.049 4.902 9.510 77 HA GLU 11 HA GLU 11 -0.807 4.674 9.887 78 HB3 GLU 11 2HB GLU 11 -0.885 2.211 11.463 79 HG3 GLU 11 2HG GLU 11 0.639 4.561 11.370 80 H ARG 12 H ARG 12 -2.164 1.372 9.851 81 HA ARG 12 HA ARG 12 -0.479 0.815 7.499 82 HB3 ARG 12 2HB ARG 12 0.478 -0.330 9.399 83 HG3 ARG 12 2HG ARG 12 -1.799 -2.130 9.849 84 HD3 ARG 12 2HD ARG 12 -0.254 -0.710 11.962 85 HE ARG 12 HE ARG 12 -1.284 -2.403 13.081 86 HH11 ARG 12 1HH1 ARG 12 -0.291 -3.592 9.963 87 HH12 ARG 12 2HH1 ARG 12 -0.801 -5.217 10.275 88 HH21 ARG 12 1HH2 ARG 12 -1.960 -4.540 13.504 89 HH22 ARG 12 2HH2 ARG 12 -1.751 -5.755 12.289 90 H LYS 13 H LYS 13 -1.321 -0.647 5.961 91 HA LYS 13 HA LYS 13 -4.186 -0.528 5.713 92 HB3 LYS 13 2HB LYS 13 -2.114 -1.852 3.953 93 HG3 LYS 13 2HG LYS 13 -4.571 -0.918 2.703 94 HD3 LYS 13 2HD LYS 13 -2.636 -3.135 2.511 95 HE3 LYS 13 2HE LYS 13 -5.545 -3.453 1.809 96 HZ1 LYS 13 3HZ LYS 13 -3.435 -4.189 0.199 97 HZ2 LYS 13 1HZ LYS 13 -5.033 -4.739 0.096 98 HZ3 LYS 13 2HZ LYS 13 -3.894 -5.611 0.993 99 H ALA 14 H ALA 14 -5.487 -1.932 6.675 100 HA ALA 14 HA ALA 14 -4.847 -4.778 6.568 101 HB1 ALA 14 1HB ALA 14 -5.896 -4.519 9.115 102 HB2 ALA 14 2HB ALA 14 -4.211 -4.838 8.701 103 HB3 ALA 14 3HB ALA 14 -4.752 -3.183 8.987 104 HA PRO 15 HA PRO 15 -9.136 -5.311 5.808 105 HB3 PRO 15 2HB PRO 15 -8.720 -7.560 5.585 106 HG3 PRO 15 2HG PRO 15 -7.194 -8.641 6.968 107 HD3 PRO 15 2HD PRO 15 -5.915 -6.848 6.291 Start of MODEL 7 1 H1 MET 1 H MET 1 5.136 -1.669 2.576 2 HA MET 1 HA MET 1 3.225 0.105 2.893 3 HB3 MET 1 2HB MET 1 1.655 -1.773 3.656 4 HG3 MET 1 2HG MET 1 3.357 -1.876 1.219 5 HE1 MET 1 3HE MET 1 1.901 -4.165 -1.009 6 HE2 MET 1 1HE MET 1 0.338 -4.266 -0.197 7 HE3 MET 1 2HE MET 1 1.104 -2.696 -0.442 8 H TRP 2 H TRP 2 5.031 0.719 4.969 9 HA TRP 2 HA TRP 2 3.308 0.496 7.349 10 HB3 TRP 2 2HB TRP 2 5.458 -0.578 7.706 11 HD1 TRP 2 HD TRP 2 7.073 2.822 8.167 12 HE1 TRP 2 1HE TRP 2 9.174 2.965 6.686 13 HE3 TRP 2 3HE TRP 2 6.437 -1.456 5.440 14 HZ2 TRP 2 2HZ TRP 2 10.398 1.463 4.634 15 HZ3 TRP 2 3HZ TRP 2 8.117 -2.030 3.738 16 HH2 TRP 2 HH TRP 2 10.057 -0.599 3.344 17 H GLN 3 H GLN 3 2.822 2.327 8.522 18 HA GLN 3 HA GLN 3 2.345 4.524 8.864 19 HB3 GLN 3 2HB GLN 3 4.312 6.104 8.086 20 HG3 GLN 3 2HG GLN 3 3.944 5.692 10.412 21 HE21 GLN 3 1HE2 GLN 3 6.599 3.657 10.680 22 HE22 GLN 3 2HE2 GLN 3 5.780 2.238 11.229 23 H ARG 4 H ARG 4 1.699 3.214 6.260 24 HA ARG 4 HA ARG 4 1.783 5.427 4.372 25 HB3 ARG 4 2HB ARG 4 0.231 3.445 3.231 26 HG3 ARG 4 2HG ARG 4 3.182 3.190 3.000 27 HD3 ARG 4 2HD ARG 4 1.380 2.013 1.583 28 HE ARG 4 HE ARG 4 0.657 4.636 0.948 29 HH11 ARG 4 1HH1 ARG 4 1.408 1.638 -0.656 30 HH12 ARG 4 2HH1 ARG 4 0.404 1.969 -2.027 31 HH21 ARG 4 1HH2 ARG 4 -0.669 5.083 -0.854 32 HH22 ARG 4 2HH2 ARG 4 -0.777 3.929 -2.140 33 H ARG 5 H ARG 5 -0.602 3.544 6.189 34 HA ARG 5 HA ARG 5 -2.767 5.237 5.236 35 HB3 ARG 5 2HB ARG 5 -3.906 3.640 7.119 36 HG3 ARG 5 2HG ARG 5 -3.612 3.523 4.235 37 HD3 ARG 5 2HD ARG 5 -4.323 1.233 3.949 38 HE ARG 5 HE ARG 5 -1.974 0.752 5.557 39 HH11 ARG 5 1HH1 ARG 5 -3.225 1.974 2.547 40 HH12 ARG 5 2HH1 ARG 5 -1.731 1.770 1.693 41 HH21 ARG 5 1HH2 ARG 5 -0.003 0.477 4.445 42 HH22 ARG 5 2HH2 ARG 5 0.101 0.917 2.773 43 H GLN 6 H GLN 6 -0.472 5.429 7.605 44 HA GLN 6 HA GLN 6 -1.834 6.238 9.894 45 HB3 GLN 6 2HB GLN 6 0.410 7.822 9.907 46 HG3 GLN 6 2HG GLN 6 0.951 4.990 10.474 47 HE21 GLN 6 1HE2 GLN 6 0.265 8.150 11.943 48 HE22 GLN 6 2HE2 GLN 6 1.696 8.202 12.909 49 H ARG 7 H ARG 7 -1.375 7.860 6.881 50 HA ARG 7 HA ARG 7 -1.918 10.501 7.874 51 HB3 ARG 7 2HB ARG 7 -2.330 10.830 5.281 52 HG3 ARG 7 2HG ARG 7 0.165 10.580 6.816 53 HD3 ARG 7 2HD ARG 7 0.689 11.196 4.016 54 HE ARG 7 HE ARG 7 2.195 9.148 5.373 55 HH11 ARG 7 1HH1 ARG 7 1.726 12.569 4.930 56 HH12 ARG 7 2HH1 ARG 7 3.329 12.987 5.434 57 HH21 ARG 7 1HH2 ARG 7 4.310 9.685 6.039 58 HH22 ARG 7 2HH2 ARG 7 4.798 11.345 6.064 59 H ARG 8 H ARG 8 -3.794 7.790 6.925 60 HA ARG 8 HA ARG 8 -6.195 9.403 6.506 61 HB3 ARG 8 2HB ARG 8 -7.106 6.907 6.227 62 HG3 ARG 8 2HG ARG 8 -6.019 8.847 4.393 63 HD3 ARG 8 2HD ARG 8 -6.121 6.078 3.269 64 HE ARG 8 HE ARG 8 -5.342 8.654 2.258 65 HH11 ARG 8 1HH1 ARG 8 -4.981 5.209 1.909 66 HH12 ARG 8 2HH1 ARG 8 -4.526 5.294 0.239 67 HH21 ARG 8 1HH2 ARG 8 -4.745 8.779 0.061 68 HH22 ARG 8 2HH2 ARG 8 -4.391 7.326 -0.811 69 H GLY 9 H GLY 9 -4.823 7.048 8.736 70 HA2 GLY 9 2HA GLY 9 -5.483 7.494 11.109 71 HA3 GLY 9 3HA GLY 9 -7.137 7.503 10.518 72 H GLU 10 H GLU 10 -5.116 5.225 8.994 73 HA GLU 10 HA GLU 10 -6.226 3.088 10.694 74 HB3 GLU 10 2HB GLU 10 -5.951 1.691 8.532 75 HG3 GLU 10 2HG GLU 10 -8.064 3.789 8.877 76 H GLU 11 H GLU 11 -3.427 4.432 9.183 77 HA GLU 11 HA GLU 11 -1.206 4.026 9.528 78 HB3 GLU 11 2HB GLU 11 -0.476 2.726 11.344 79 HG3 GLU 11 2HG GLU 11 -3.228 3.216 12.369 80 H ARG 12 H ARG 12 -2.811 0.839 9.628 81 HA ARG 12 HA ARG 12 -1.182 0.062 7.298 82 HB3 ARG 12 2HB ARG 12 -1.507 -2.315 8.269 83 HG3 ARG 12 2HG ARG 12 0.615 -0.786 8.364 84 HD3 ARG 12 2HD ARG 12 -0.561 0.101 10.648 85 HE ARG 12 HE ARG 12 -0.153 -1.487 12.243 86 HH11 ARG 12 1HH1 ARG 12 2.634 -1.214 10.173 87 HH12 ARG 12 2HH1 ARG 12 3.621 -2.253 11.147 88 HH21 ARG 12 1HH2 ARG 12 1.137 -2.856 13.532 89 HH22 ARG 12 2HH2 ARG 12 2.768 -3.187 13.057 90 H LYS 13 H LYS 13 -2.144 -1.525 5.873 91 HA LYS 13 HA LYS 13 -4.754 -0.899 5.107 92 HB3 LYS 13 2HB LYS 13 -3.217 -1.830 3.511 93 HG3 LYS 13 2HG LYS 13 -3.361 -4.524 4.802 94 HD3 LYS 13 2HD LYS 13 -1.160 -4.710 3.550 95 HE3 LYS 13 2HE LYS 13 -2.392 -4.731 1.257 96 HZ1 LYS 13 3HZ LYS 13 -3.888 -6.483 2.965 97 HZ2 LYS 13 1HZ LYS 13 -2.228 -6.531 3.283 98 HZ3 LYS 13 2HZ LYS 13 -2.800 -6.855 1.725 99 H ALA 14 H ALA 14 -6.571 -1.314 6.163 100 HA ALA 14 HA ALA 14 -7.043 -4.004 7.189 101 HB1 ALA 14 1HB ALA 14 -6.405 -1.834 8.891 102 HB2 ALA 14 2HB ALA 14 -8.114 -2.207 9.117 103 HB3 ALA 14 3HB ALA 14 -6.901 -3.468 9.335 104 HA PRO 15 HA PRO 15 -11.138 -3.447 5.716 105 HB3 PRO 15 2HB PRO 15 -11.603 -5.572 6.456 106 HG3 PRO 15 2HG PRO 15 -10.735 -6.359 8.464 107 HD3 PRO 15 2HD PRO 15 -8.810 -5.543 7.493 Start of MODEL 8 1 H1 MET 1 H MET 1 4.501 0.593 2.281 2 HA MET 1 HA MET 1 2.954 -1.576 3.239 3 HB3 MET 1 2HB MET 1 5.213 -2.255 4.285 4 HG3 MET 1 2HG MET 1 6.295 -2.484 1.943 5 HE1 MET 1 3HE MET 1 6.348 -4.503 3.775 6 HE2 MET 1 1HE MET 1 5.651 -5.986 3.122 7 HE3 MET 1 2HE MET 1 6.712 -4.996 2.121 8 H TRP 2 H TRP 2 4.912 0.852 4.967 9 HA TRP 2 HA TRP 2 3.195 0.410 7.319 10 HB3 TRP 2 2HB TRP 2 5.322 -0.609 7.807 11 HD1 TRP 2 HD TRP 2 6.564 3.059 7.588 12 HE1 TRP 2 1HE TRP 2 8.852 3.050 6.408 13 HE3 TRP 2 3HE TRP 2 6.877 -1.918 6.462 14 HZ2 TRP 2 2HZ TRP 2 10.562 1.182 5.164 15 HZ3 TRP 2 3HZ TRP 2 8.872 -2.735 5.275 16 HH2 TRP 2 HH TRP 2 10.675 -1.215 4.640 17 H GLN 3 H GLN 3 2.708 2.218 8.576 18 HA GLN 3 HA GLN 3 2.141 4.397 8.915 19 HB3 GLN 3 2HB GLN 3 4.060 6.049 8.248 20 HG3 GLN 3 2HG GLN 3 4.424 3.888 10.307 21 HE21 GLN 3 1HE2 GLN 3 5.788 4.580 12.114 22 HE22 GLN 3 2HE2 GLN 3 7.218 5.487 11.771 23 H ARG 4 H ARG 4 1.544 3.115 6.302 24 HA ARG 4 HA ARG 4 1.634 5.337 4.427 25 HB3 ARG 4 2HB ARG 4 0.122 3.372 3.235 26 HG3 ARG 4 2HG ARG 4 3.066 3.049 3.092 27 HD3 ARG 4 2HD ARG 4 1.083 3.557 0.895 28 HE ARG 4 HE ARG 4 3.805 3.048 0.829 29 HH11 ARG 4 1HH1 ARG 4 0.897 1.701 -0.531 30 HH12 ARG 4 2HH1 ARG 4 1.681 1.120 -1.963 31 HH21 ARG 4 1HH2 ARG 4 4.848 2.287 -1.051 32 HH22 ARG 4 2HH2 ARG 4 3.928 1.452 -2.257 33 H ARG 5 H ARG 5 -0.701 3.536 6.348 34 HA ARG 5 HA ARG 5 -2.879 5.212 5.347 35 HB3 ARG 5 2HB ARG 5 -3.997 3.527 7.206 36 HG3 ARG 5 2HG ARG 5 -3.526 2.916 4.296 37 HD3 ARG 5 2HD ARG 5 -4.765 1.389 6.365 38 HE ARG 5 HE ARG 5 -6.933 2.055 6.001 39 HH11 ARG 5 1HH1 ARG 5 -5.298 1.669 2.952 40 HH12 ARG 5 2HH1 ARG 5 -6.743 1.824 2.008 41 HH21 ARG 5 1HH2 ARG 5 -8.842 2.260 4.770 42 HH22 ARG 5 2HH2 ARG 5 -8.758 2.161 3.043 43 H GLN 6 H GLN 6 -0.626 5.257 7.785 44 HA GLN 6 HA GLN 6 -2.037 6.023 10.060 45 HB3 GLN 6 2HB GLN 6 0.342 5.516 10.118 46 HG3 GLN 6 2HG GLN 6 0.705 6.930 7.900 47 HE21 GLN 6 1HE2 GLN 6 2.698 8.611 7.749 48 HE22 GLN 6 2HE2 GLN 6 2.328 10.140 8.463 49 H ARG 7 H ARG 7 -1.422 7.740 7.129 50 HA ARG 7 HA ARG 7 -1.882 10.364 8.184 51 HB3 ARG 7 2HB ARG 7 -2.290 10.754 5.587 52 HG3 ARG 7 2HG ARG 7 0.211 10.402 7.115 53 HD3 ARG 7 2HD ARG 7 0.667 11.174 4.331 54 HE ARG 7 HE ARG 7 2.255 9.104 5.547 55 HH11 ARG 7 1HH1 ARG 7 1.683 12.531 5.331 56 HH12 ARG 7 2HH1 ARG 7 3.285 12.963 5.829 57 HH21 ARG 7 1HH2 ARG 7 4.367 9.659 6.204 58 HH22 ARG 7 2HH2 ARG 7 4.811 11.328 6.325 59 H ARG 8 H ARG 8 -3.869 7.765 7.136 60 HA ARG 8 HA ARG 8 -6.198 9.494 6.780 61 HB3 ARG 8 2HB ARG 8 -7.264 7.133 6.339 62 HG3 ARG 8 2HG ARG 8 -5.935 8.991 4.643 63 HD3 ARG 8 2HD ARG 8 -5.933 6.363 3.297 64 HE ARG 8 HE ARG 8 -4.964 8.875 2.672 65 HH11 ARG 8 1HH1 ARG 8 -3.762 5.607 2.728 66 HH12 ARG 8 2HH1 ARG 8 -2.634 5.862 1.438 67 HH21 ARG 8 1HH2 ARG 8 -3.482 9.222 0.973 68 HH22 ARG 8 2HH2 ARG 8 -2.475 7.919 0.441 69 H GLY 9 H GLY 9 -4.889 7.068 8.953 70 HA2 GLY 9 2HA GLY 9 -5.555 7.437 11.327 71 HA3 GLY 9 3HA GLY 9 -7.206 7.517 10.733 72 H GLU 10 H GLU 10 -5.305 5.228 9.106 73 HA GLU 10 HA GLU 10 -6.470 3.072 10.745 74 HB3 GLU 10 2HB GLU 10 -6.630 1.722 8.742 75 HG3 GLU 10 2HG GLU 10 -8.250 3.839 9.188 76 H GLU 11 H GLU 11 -3.615 4.432 9.434 77 HA GLU 11 HA GLU 11 -1.417 3.939 9.818 78 HB3 GLU 11 2HB GLU 11 -2.141 1.400 11.232 79 HG3 GLU 11 2HG GLU 11 0.024 3.442 11.459 80 H ARG 12 H ARG 12 -3.113 0.818 9.453 81 HA ARG 12 HA ARG 12 -1.576 0.358 6.994 82 HB3 ARG 12 2HB ARG 12 -1.682 -2.156 7.908 83 HG3 ARG 12 2HG ARG 12 0.357 -0.674 7.329 84 HD3 ARG 12 2HD ARG 12 -0.136 0.397 9.788 85 HE ARG 12 HE ARG 12 0.837 -0.963 11.332 86 HH11 ARG 12 1HH1 ARG 12 2.686 -1.139 8.387 87 HH12 ARG 12 2HH1 ARG 12 3.914 -2.155 9.067 88 HH21 ARG 12 1HH2 ARG 12 2.447 -2.300 12.237 89 HH22 ARG 12 2HH2 ARG 12 3.778 -2.815 11.256 90 H LYS 13 H LYS 13 -2.545 -1.152 5.523 91 HA LYS 13 HA LYS 13 -5.308 -0.825 5.211 92 HB3 LYS 13 2HB LYS 13 -3.542 -2.961 3.998 93 HG3 LYS 13 2HG LYS 13 -5.227 -2.415 2.042 94 HD3 LYS 13 2HD LYS 13 -6.335 -4.197 4.159 95 HE3 LYS 13 2HE LYS 13 -7.234 -4.070 1.818 96 HZ1 LYS 13 3HZ LYS 13 -5.552 -5.721 0.473 97 HZ2 LYS 13 1HZ LYS 13 -4.487 -4.639 1.220 98 HZ3 LYS 13 2HZ LYS 13 -5.712 -4.057 0.210 99 H ALA 14 H ALA 14 -6.884 -1.675 6.385 100 HA ALA 14 HA ALA 14 -6.758 -4.505 7.112 101 HB1 ALA 14 1HB ALA 14 -6.753 -4.229 9.332 102 HB2 ALA 14 2HB ALA 14 -6.136 -2.614 8.982 103 HB3 ALA 14 3HB ALA 14 -7.860 -2.858 9.261 104 HA PRO 15 HA PRO 15 -11.013 -4.599 6.047 105 HB3 PRO 15 2HB PRO 15 -10.982 -6.849 6.508 106 HG3 PRO 15 2HG PRO 15 -9.765 -7.688 8.303 107 HD3 PRO 15 2HD PRO 15 -8.149 -6.384 7.304 Start of MODEL 9 1 H1 MET 1 H MET 1 2.725 -1.024 1.685 2 HA MET 1 HA MET 1 1.359 -1.081 3.594 3 HB3 MET 1 2HB MET 1 1.677 -3.362 2.819 4 HG3 MET 1 2HG MET 1 4.114 -3.341 4.572 5 HE1 MET 1 3HE MET 1 4.721 -6.002 6.028 6 HE2 MET 1 1HE MET 1 5.269 -6.832 4.570 7 HE3 MET 1 2HE MET 1 5.567 -5.104 4.768 8 H TRP 2 H TRP 2 3.544 0.651 4.152 9 HA TRP 2 HA TRP 2 3.652 0.313 7.041 10 HB3 TRP 2 2HB TRP 2 6.118 0.581 5.314 11 HD1 TRP 2 HD TRP 2 5.401 0.160 9.118 12 HE1 TRP 2 1HE TRP 2 7.087 1.624 10.398 13 HE3 TRP 2 3HE TRP 2 7.883 2.205 5.143 14 HZ2 TRP 2 2HZ TRP 2 9.190 3.410 9.802 15 HZ3 TRP 2 3HZ TRP 2 9.719 3.783 5.584 16 HH2 TRP 2 HH TRP 2 10.357 4.371 7.867 17 H GLN 3 H GLN 3 2.929 2.162 7.846 18 HA GLN 3 HA GLN 3 2.503 4.375 8.153 19 HB3 GLN 3 2HB GLN 3 4.399 5.914 7.155 20 HG3 GLN 3 2HG GLN 3 5.979 4.755 9.013 21 HE21 GLN 3 1HE2 GLN 3 5.990 5.903 11.025 22 HE22 GLN 3 2HE2 GLN 3 5.159 7.410 11.164 23 H ARG 4 H ARG 4 1.659 2.965 5.644 24 HA ARG 4 HA ARG 4 1.562 5.126 3.697 25 HB3 ARG 4 2HB ARG 4 -0.031 3.108 2.712 26 HG3 ARG 4 2HG ARG 4 2.910 2.869 2.331 27 HD3 ARG 4 2HD ARG 4 0.467 2.767 0.580 28 HE ARG 4 HE ARG 4 3.099 3.407 -0.273 29 HH11 ARG 4 1HH1 ARG 4 0.302 1.505 -1.096 30 HH12 ARG 4 2HH1 ARG 4 0.645 1.497 -2.794 31 HH21 ARG 4 1HH2 ARG 4 3.562 3.405 -2.507 32 HH22 ARG 4 2HH2 ARG 4 2.500 2.578 -3.595 33 H ARG 5 H ARG 5 -0.596 3.329 5.832 34 HA ARG 5 HA ARG 5 -2.868 4.958 4.988 35 HB3 ARG 5 2HB ARG 5 -4.018 3.431 6.778 36 HG3 ARG 5 2HG ARG 5 -3.177 1.637 4.643 37 HD3 ARG 5 2HD ARG 5 -5.227 1.318 5.907 38 HE ARG 5 HE ARG 5 -5.658 3.962 5.876 39 HH11 ARG 5 1HH1 ARG 5 -7.461 1.302 4.537 40 HH12 ARG 5 2HH1 ARG 5 -8.995 2.093 4.694 41 HH21 ARG 5 1HH2 ARG 5 -7.671 5.012 6.090 42 HH22 ARG 5 2HH2 ARG 5 -9.113 4.203 5.577 43 H GLN 6 H GLN 6 -0.400 5.165 7.185 44 HA GLN 6 HA GLN 6 -1.592 5.990 9.560 45 HB3 GLN 6 2HB GLN 6 0.690 7.598 9.219 46 HG3 GLN 6 2HG GLN 6 1.139 4.885 10.253 47 HE21 GLN 6 1HE2 GLN 6 2.689 4.933 11.769 48 HE22 GLN 6 2HE2 GLN 6 3.408 6.373 12.395 49 H ARG 7 H ARG 7 -1.193 7.666 6.533 50 HA ARG 7 HA ARG 7 -1.684 10.290 7.514 51 HB3 ARG 7 2HB ARG 7 -2.380 10.570 4.973 52 HG3 ARG 7 2HG ARG 7 0.273 10.312 6.222 53 HD3 ARG 7 2HD ARG 7 0.442 10.901 3.366 54 HE ARG 7 HE ARG 7 2.137 8.899 4.559 55 HH11 ARG 7 1HH1 ARG 7 1.566 12.305 4.114 56 HH12 ARG 7 2HH1 ARG 7 3.214 12.752 4.403 57 HH21 ARG 7 1HH2 ARG 7 4.311 9.476 4.940 58 HH22 ARG 7 2HH2 ARG 7 4.775 11.142 4.872 59 H ARG 8 H ARG 8 -3.697 7.597 6.858 60 HA ARG 8 HA ARG 8 -6.104 9.245 6.660 61 HB3 ARG 8 2HB ARG 8 -7.134 6.827 6.505 62 HG3 ARG 8 2HG ARG 8 -6.014 8.585 4.530 63 HD3 ARG 8 2HD ARG 8 -6.243 5.756 3.580 64 HE ARG 8 HE ARG 8 -5.895 6.921 1.654 65 HH11 ARG 8 1HH1 ARG 8 -3.974 8.359 4.175 66 HH12 ARG 8 2HH1 ARG 8 -3.197 9.492 3.116 67 HH21 ARG 8 1HH2 ARG 8 -4.881 8.405 0.251 68 HH22 ARG 8 2HH2 ARG 8 -3.715 9.517 0.885 69 H GLY 9 H GLY 9 -4.517 6.945 8.799 70 HA2 GLY 9 2HA GLY 9 -4.907 7.471 11.214 71 HA3 GLY 9 3HA GLY 9 -6.618 7.482 10.809 72 H GLU 10 H GLU 10 -4.800 5.134 9.145 73 HA GLU 10 HA GLU 10 -5.722 3.064 11.030 74 HB3 GLU 10 2HB GLU 10 -6.210 1.616 9.215 75 HG3 GLU 10 2HG GLU 10 -7.952 2.637 8.119 76 H GLU 11 H GLU 11 -3.075 4.444 9.407 77 HA GLU 11 HA GLU 11 -0.837 4.020 9.570 78 HB3 GLU 11 2HB GLU 11 -1.348 1.474 11.068 79 HG3 GLU 11 2HG GLU 11 0.636 3.613 11.730 80 H ARG 12 H ARG 12 -2.462 0.845 9.398 81 HA ARG 12 HA ARG 12 -1.004 0.351 6.885 82 HB3 ARG 12 2HB ARG 12 -1.491 -2.159 7.833 83 HG3 ARG 12 2HG ARG 12 0.869 -0.383 7.912 84 HD3 ARG 12 2HD ARG 12 1.017 -1.420 10.102 85 HE ARG 12 HE ARG 12 -0.242 -3.593 9.147 86 HH11 ARG 12 1HH1 ARG 12 2.930 -3.131 10.506 87 HH12 ARG 12 2HH1 ARG 12 3.021 -4.730 11.169 88 HH21 ARG 12 1HH2 ARG 12 -0.133 -5.699 10.014 89 HH22 ARG 12 2HH2 ARG 12 1.279 -6.190 10.887 90 H LYS 13 H LYS 13 -2.063 -1.098 5.383 91 HA LYS 13 HA LYS 13 -4.738 -0.454 4.915 92 HB3 LYS 13 2HB LYS 13 -3.333 -1.171 3.102 93 HG3 LYS 13 2HG LYS 13 -3.301 -3.959 4.216 94 HD3 LYS 13 2HD LYS 13 -1.250 -3.908 2.579 95 HE3 LYS 13 2HE LYS 13 -3.591 -5.089 2.429 96 HZ1 LYS 13 3HZ LYS 13 -5.118 -4.135 1.159 97 HZ2 LYS 13 1HZ LYS 13 -4.012 -3.842 -0.088 98 HZ3 LYS 13 2HZ LYS 13 -4.189 -2.721 1.165 99 H ALA 14 H ALA 14 -6.476 -1.048 6.017 100 HA ALA 14 HA ALA 14 -6.564 -3.769 7.146 101 HB1 ALA 14 1HB ALA 14 -8.305 -2.381 8.715 102 HB2 ALA 14 2HB ALA 14 -6.626 -2.728 9.131 103 HB3 ALA 14 3HB ALA 14 -7.054 -1.174 8.414 104 HA PRO 15 HA PRO 15 -10.361 -4.473 5.064 105 HB3 PRO 15 2HB PRO 15 -10.428 -6.537 6.069 106 HG3 PRO 15 2HG PRO 15 -9.750 -6.820 8.275 107 HD3 PRO 15 2HD PRO 15 -7.937 -5.661 7.448 Start of MODEL 10 1 H1 MET 1 H MET 1 4.554 -1.535 2.435 2 HA MET 1 HA MET 1 2.477 0.260 2.938 3 HB3 MET 1 2HB MET 1 1.988 -2.044 2.467 4 HG3 MET 1 2HG MET 1 4.061 -2.650 4.234 5 HE1 MET 1 3HE MET 1 1.480 -5.736 5.174 6 HE2 MET 1 1HE MET 1 0.199 -4.582 5.546 7 HE3 MET 1 2HE MET 1 0.966 -4.568 3.957 8 H TRP 2 H TRP 2 4.807 1.119 4.336 9 HA TRP 2 HA TRP 2 3.962 0.851 7.144 10 HB3 TRP 2 2HB TRP 2 6.230 1.525 7.758 11 HD1 TRP 2 HD TRP 2 5.233 -1.208 8.170 12 HE1 TRP 2 1HE TRP 2 6.467 -3.346 7.441 13 HE3 TRP 2 3HE TRP 2 8.267 0.793 4.574 14 HZ2 TRP 2 2HZ TRP 2 8.463 -4.086 5.587 15 HZ3 TRP 2 3HZ TRP 2 9.810 -0.698 3.370 16 HH2 TRP 2 HH TRP 2 9.905 -3.087 3.868 17 H GLN 3 H GLN 3 3.052 2.547 8.094 18 HA GLN 3 HA GLN 3 2.271 4.651 8.471 19 HB3 GLN 3 2HB GLN 3 3.989 6.504 7.739 20 HG3 GLN 3 2HG GLN 3 3.611 5.314 10.070 21 HE21 GLN 3 1HE2 GLN 3 5.016 4.540 11.797 22 HE22 GLN 3 2HE2 GLN 3 6.212 3.348 11.429 23 H ARG 4 H ARG 4 1.753 3.316 5.870 24 HA ARG 4 HA ARG 4 1.552 5.538 4.001 25 HB3 ARG 4 2HB ARG 4 0.229 3.398 2.861 26 HG3 ARG 4 2HG ARG 4 3.187 3.500 2.597 27 HD3 ARG 4 2HD ARG 4 1.524 2.114 1.196 28 HE ARG 4 HE ARG 4 0.498 4.637 0.565 29 HH11 ARG 4 1HH1 ARG 4 1.559 1.730 -1.030 30 HH12 ARG 4 2HH1 ARG 4 0.503 1.935 -2.389 31 HH21 ARG 4 1HH2 ARG 4 -0.898 4.917 -1.218 32 HH22 ARG 4 2HH2 ARG 4 -0.892 3.748 -2.495 33 H ARG 5 H ARG 5 -0.463 3.640 6.126 34 HA ARG 5 HA ARG 5 -2.887 4.906 5.091 35 HB3 ARG 5 2HB ARG 5 -4.120 3.283 6.279 36 HG3 ARG 5 2HG ARG 5 -3.207 1.137 5.702 37 HD3 ARG 5 2HD ARG 5 -2.681 1.473 3.362 38 HE ARG 5 HE ARG 5 -4.860 2.969 4.512 39 HH11 ARG 5 1HH1 ARG 5 -3.278 1.971 1.575 40 HH12 ARG 5 2HH1 ARG 5 -4.692 2.167 0.592 41 HH21 ARG 5 1HH2 ARG 5 -6.727 3.232 3.229 42 HH22 ARG 5 2HH2 ARG 5 -6.653 2.885 1.534 43 H GLN 6 H GLN 6 -0.545 5.522 7.361 44 HA GLN 6 HA GLN 6 -1.912 6.350 9.633 45 HB3 GLN 6 2HB GLN 6 0.251 8.162 9.038 46 HG3 GLN 6 2HG GLN 6 0.642 5.835 10.825 47 HE21 GLN 6 1HE2 GLN 6 0.279 8.027 12.936 48 HE22 GLN 6 2HE2 GLN 6 1.782 8.879 12.891 49 H ARG 7 H ARG 7 -1.543 7.908 6.528 50 HA ARG 7 HA ARG 7 -2.420 10.489 7.343 51 HB3 ARG 7 2HB ARG 7 -2.946 10.606 4.764 52 HG3 ARG 7 2HG ARG 7 -0.390 10.679 6.199 53 HD3 ARG 7 2HD ARG 7 0.106 11.124 3.396 54 HE ARG 7 HE ARG 7 1.578 9.082 4.800 55 HH11 ARG 7 1HH1 ARG 7 1.152 12.500 4.294 56 HH12 ARG 7 2HH1 ARG 7 2.758 12.908 4.803 57 HH21 ARG 7 1HH2 ARG 7 3.695 9.606 5.472 58 HH22 ARG 7 2HH2 ARG 7 4.203 11.260 5.471 59 H ARG 8 H ARG 8 -4.030 7.536 6.631 60 HA ARG 8 HA ARG 8 -6.604 8.866 6.238 61 HB3 ARG 8 2HB ARG 8 -7.242 6.265 6.135 62 HG3 ARG 8 2HG ARG 8 -6.529 8.231 4.166 63 HD3 ARG 8 2HD ARG 8 -6.321 5.492 3.043 64 HE ARG 8 HE ARG 8 -6.022 6.933 1.294 65 HH11 ARG 8 1HH1 ARG 8 -4.160 8.054 4.014 66 HH12 ARG 8 2HH1 ARG 8 -3.364 9.306 3.118 67 HH21 ARG 8 1HH2 ARG 8 -4.980 8.577 0.105 68 HH22 ARG 8 2HH2 ARG 8 -3.832 9.603 0.895 69 H GLY 9 H GLY 9 -4.868 6.874 8.547 70 HA2 GLY 9 2HA GLY 9 -5.500 7.361 10.909 71 HA3 GLY 9 3HA GLY 9 -7.165 7.138 10.391 72 H GLU 10 H GLU 10 -4.893 5.035 8.944 73 HA GLU 10 HA GLU 10 -5.708 2.883 10.786 74 HB3 GLU 10 2HB GLU 10 -5.783 1.354 8.963 75 HG3 GLU 10 2HG GLU 10 -7.326 2.390 7.320 76 H GLU 11 H GLU 11 -3.122 4.552 9.300 77 HA GLU 11 HA GLU 11 -0.869 4.448 9.674 78 HB3 GLU 11 2HB GLU 11 -1.133 1.950 11.295 79 HG3 GLU 11 2HG GLU 11 0.332 4.362 12.194 80 H ARG 12 H ARG 12 -2.049 1.079 9.601 81 HA ARG 12 HA ARG 12 -0.390 0.651 7.207 82 HB3 ARG 12 2HB ARG 12 0.836 -0.438 8.897 83 HG3 ARG 12 2HG ARG 12 -0.796 -2.341 10.090 84 HD3 ARG 12 2HD ARG 12 -0.001 0.285 11.322 85 HE ARG 12 HE ARG 12 -0.709 -0.877 13.149 86 HH11 ARG 12 1HH1 ARG 12 0.892 -3.084 10.985 87 HH12 ARG 12 2HH1 ARG 12 0.797 -4.428 12.075 88 HH21 ARG 12 1HH2 ARG 12 -0.840 -2.638 14.593 89 HH22 ARG 12 2HH2 ARG 12 -0.190 -4.173 14.126 90 H LYS 13 H LYS 13 -1.128 -1.022 5.780 91 HA LYS 13 HA LYS 13 -3.886 -0.976 5.300 92 HB3 LYS 13 2HB LYS 13 -3.299 -3.009 3.793 93 HG3 LYS 13 2HG LYS 13 -1.546 -0.706 3.117 94 HD3 LYS 13 2HD LYS 13 -2.302 -2.795 1.673 95 HE3 LYS 13 2HE LYS 13 -4.594 -0.867 1.536 96 HZ1 LYS 13 3HZ LYS 13 -5.176 -2.392 -0.478 97 HZ2 LYS 13 1HZ LYS 13 -3.496 -2.522 -0.622 98 HZ3 LYS 13 2HZ LYS 13 -4.237 -1.004 -0.701 99 H ALA 14 H ALA 14 -5.441 -1.899 6.448 100 HA ALA 14 HA ALA 14 -5.123 -4.668 7.320 101 HB1 ALA 14 1HB ALA 14 -4.575 -3.857 9.371 102 HB2 ALA 14 2HB ALA 14 -5.429 -2.334 9.121 103 HB3 ALA 14 3HB ALA 14 -6.331 -3.796 9.519 104 HA PRO 15 HA PRO 15 -9.322 -5.126 6.128 105 HB3 PRO 15 2HB PRO 15 -9.139 -7.347 6.686 106 HG3 PRO 15 2HG PRO 15 -7.925 -8.019 8.552 107 HD3 PRO 15 2HD PRO 15 -6.377 -6.637 7.548 Start of MODEL 11 1 H1 MET 1 H MET 1 5.019 -1.260 3.404 2 HA MET 1 HA MET 1 2.290 -0.260 2.913 3 HB3 MET 1 2HB MET 1 2.456 -2.564 2.160 4 HG3 MET 1 2HG MET 1 3.343 -3.219 4.961 5 HE1 MET 1 3HE MET 1 4.191 -6.534 2.442 6 HE2 MET 1 1HE MET 1 3.064 -5.711 1.364 7 HE3 MET 1 2HE MET 1 4.448 -4.840 2.023 8 H TRP 2 H TRP 2 4.139 0.899 4.721 9 HA TRP 2 HA TRP 2 2.693 0.439 7.231 10 HB3 TRP 2 2HB TRP 2 4.742 -0.791 7.524 11 HD1 TRP 2 HD TRP 2 6.455 2.664 7.491 12 HE1 TRP 2 1HE TRP 2 8.576 2.498 6.042 13 HE3 TRP 2 3HE TRP 2 5.859 -2.097 5.728 14 HZ2 TRP 2 2HZ TRP 2 9.829 0.598 4.371 15 HZ3 TRP 2 3HZ TRP 2 7.564 -3.014 4.208 16 HH2 TRP 2 HH TRP 2 9.507 -1.693 3.545 17 H GLN 3 H GLN 3 2.226 2.259 8.365 18 HA GLN 3 HA GLN 3 1.900 4.470 8.785 19 HB3 GLN 3 2HB GLN 3 4.022 5.922 8.155 20 HG3 GLN 3 2HG GLN 3 3.863 3.859 10.321 21 HE21 GLN 3 1HE2 GLN 3 5.530 6.951 9.890 22 HE22 GLN 3 2HE2 GLN 3 7.062 6.404 10.470 23 H ARG 4 H ARG 4 1.334 3.304 6.078 24 HA ARG 4 HA ARG 4 1.651 5.597 4.314 25 HB3 ARG 4 2HB ARG 4 0.075 3.765 2.979 26 HG3 ARG 4 2HG ARG 4 3.016 3.351 2.927 27 HD3 ARG 4 2HD ARG 4 1.003 3.846 0.740 28 HE ARG 4 HE ARG 4 3.426 2.393 0.182 29 HH11 ARG 4 1HH1 ARG 4 1.909 5.524 0.293 30 HH12 ARG 4 2HH1 ARG 4 3.008 6.241 -0.837 31 HH21 ARG 4 1HH2 ARG 4 4.879 3.325 -1.308 32 HH22 ARG 4 2HH2 ARG 4 4.697 4.989 -1.749 33 H ARG 5 H ARG 5 -0.880 3.861 6.037 34 HA ARG 5 HA ARG 5 -2.925 5.654 4.984 35 HB3 ARG 5 2HB ARG 5 -4.509 4.212 6.197 36 HG3 ARG 5 2HG ARG 5 -3.663 1.930 5.155 37 HD3 ARG 5 2HD ARG 5 -4.466 2.784 2.917 38 HE ARG 5 HE ARG 5 -6.460 3.645 4.826 39 HH11 ARG 5 1HH1 ARG 5 -4.899 0.956 3.257 40 HH12 ARG 5 2HH1 ARG 5 -6.207 -0.141 3.548 41 HH21 ARG 5 1HH2 ARG 5 -8.189 2.208 5.215 42 HH22 ARG 5 2HH2 ARG 5 -8.078 0.572 4.661 43 H GLN 6 H GLN 6 -0.739 5.657 7.474 44 HA GLN 6 HA GLN 6 -2.152 6.504 9.710 45 HB3 GLN 6 2HB GLN 6 0.247 7.994 9.638 46 HG3 GLN 6 2HG GLN 6 0.448 5.298 10.754 47 HE21 GLN 6 1HE2 GLN 6 1.899 5.354 12.330 48 HE22 GLN 6 2HE2 GLN 6 2.493 6.782 13.099 49 H ARG 7 H ARG 7 -1.232 8.256 6.826 50 HA ARG 7 HA ARG 7 -1.758 10.862 7.826 51 HB3 ARG 7 2HB ARG 7 -2.043 11.284 5.237 52 HG3 ARG 7 2HG ARG 7 0.370 10.794 6.839 53 HD3 ARG 7 2HD ARG 7 1.067 11.423 4.089 54 HE ARG 7 HE ARG 7 2.282 9.176 5.424 55 HH11 ARG 7 1HH1 ARG 7 2.200 12.642 5.101 56 HH12 ARG 7 2HH1 ARG 7 3.814 12.866 5.689 57 HH21 ARG 7 1HH2 ARG 7 4.409 9.458 6.199 58 HH22 ARG 7 2HH2 ARG 7 5.070 11.054 6.313 59 H ARG 8 H ARG 8 -3.764 8.301 6.715 60 HA ARG 8 HA ARG 8 -6.043 10.081 6.286 61 HB3 ARG 8 2HB ARG 8 -7.104 7.673 5.853 62 HG3 ARG 8 2HG ARG 8 -5.756 9.581 4.145 63 HD3 ARG 8 2HD ARG 8 -6.096 6.850 2.961 64 HE ARG 8 HE ARG 8 -5.528 9.275 1.805 65 HH11 ARG 8 1HH1 ARG 8 -3.971 6.168 2.021 66 HH12 ARG 8 2HH1 ARG 8 -3.173 6.316 0.490 67 HH21 ARG 8 1HH2 ARG 8 -4.483 9.481 -0.212 68 HH22 ARG 8 2HH2 ARG 8 -3.464 8.201 -0.779 69 H GLY 9 H GLY 9 -4.853 7.628 8.493 70 HA2 GLY 9 2HA GLY 9 -5.594 8.001 10.843 71 HA3 GLY 9 3HA GLY 9 -7.224 8.108 10.193 72 H GLU 10 H GLU 10 -5.188 5.790 8.714 73 HA GLU 10 HA GLU 10 -6.503 3.651 10.258 74 HB3 GLU 10 2HB GLU 10 -5.929 2.402 7.946 75 HG3 GLU 10 2HG GLU 10 -8.328 3.781 7.372 76 H GLU 11 H GLU 11 -3.558 4.974 9.109 77 HA GLU 11 HA GLU 11 -1.392 4.463 9.625 78 HB3 GLU 11 2HB GLU 11 -2.230 1.955 11.034 79 HG3 GLU 11 2HG GLU 11 -0.403 3.926 12.247 80 H ARG 12 H ARG 12 -3.082 1.343 9.229 81 HA ARG 12 HA ARG 12 -1.598 0.871 6.763 82 HB3 ARG 12 2HB ARG 12 -0.189 -0.087 8.535 83 HG3 ARG 12 2HG ARG 12 -2.211 -2.198 9.082 84 HD3 ARG 12 2HD ARG 12 -0.983 -2.353 11.184 85 HE ARG 12 HE ARG 12 0.308 -2.811 8.695 86 HH11 ARG 12 1HH1 ARG 12 0.857 -2.738 12.133 87 HH12 ARG 12 2HH1 ARG 12 2.171 -3.866 12.078 88 HH21 ARG 12 1HH2 ARG 12 2.036 -4.298 8.611 89 HH22 ARG 12 2HH2 ARG 12 2.842 -4.752 10.075 90 H LYS 13 H LYS 13 -2.484 -0.837 5.466 91 HA LYS 13 HA LYS 13 -5.288 -0.888 5.420 92 HB3 LYS 13 2HB LYS 13 -4.031 -1.241 3.395 93 HG3 LYS 13 2HG LYS 13 -3.186 -3.970 4.261 94 HD3 LYS 13 2HD LYS 13 -1.364 -3.396 2.580 95 HE3 LYS 13 2HE LYS 13 -2.777 -3.865 0.648 96 HZ1 LYS 13 3HZ LYS 13 -2.379 -5.576 2.496 97 HZ2 LYS 13 1HZ LYS 13 -3.575 -5.904 1.345 98 HZ3 LYS 13 2HZ LYS 13 -4.010 -5.344 2.880 99 H ALA 14 H ALA 14 -6.614 -1.898 6.765 100 HA ALA 14 HA ALA 14 -6.043 -4.653 7.543 101 HB1 ALA 14 1HB ALA 14 -7.085 -3.460 9.865 102 HB2 ALA 14 2HB ALA 14 -5.477 -4.144 9.626 103 HB3 ALA 14 3HB ALA 14 -5.761 -2.430 9.323 104 HA PRO 15 HA PRO 15 -10.351 -5.290 7.006 105 HB3 PRO 15 2HB PRO 15 -9.989 -7.505 7.498 106 HG3 PRO 15 2HG PRO 15 -8.473 -8.135 9.146 107 HD3 PRO 15 2HD PRO 15 -7.160 -6.678 7.935 Start of MODEL 12 1 H1 MET 1 H MET 1 6.301 -0.762 2.955 2 HA MET 1 HA MET 1 3.794 0.465 2.029 3 HB3 MET 1 2HB MET 1 3.608 -1.728 1.193 4 HG3 MET 1 2HG MET 1 4.807 -2.628 3.787 5 HE1 MET 1 3HE MET 1 4.534 -6.360 1.807 6 HE2 MET 1 1HE MET 1 4.101 -5.189 0.560 7 HE3 MET 1 2HE MET 1 5.556 -4.950 1.528 8 H TRP 2 H TRP 2 5.684 1.048 4.247 9 HA TRP 2 HA TRP 2 3.953 0.494 6.558 10 HB3 TRP 2 2HB TRP 2 6.767 1.582 6.652 11 HD1 TRP 2 HD TRP 2 4.017 -0.273 8.650 12 HE1 TRP 2 1HE TRP 2 4.432 0.149 11.155 13 HE3 TRP 2 3HE TRP 2 8.399 2.339 8.316 14 HZ2 TRP 2 2HZ TRP 2 6.362 1.423 12.774 15 HZ3 TRP 2 3HZ TRP 2 9.464 3.124 10.390 16 HH2 TRP 2 HH TRP 2 8.466 2.675 12.571 17 H GLN 3 H GLN 3 3.200 2.146 7.861 18 HA GLN 3 HA GLN 3 2.384 4.212 8.350 19 HB3 GLN 3 2HB GLN 3 3.937 6.140 7.983 20 HG3 GLN 3 2HG GLN 3 5.613 3.926 9.059 21 HE21 GLN 3 1HE2 GLN 3 6.499 6.350 8.140 22 HE22 GLN 3 2HE2 GLN 3 6.934 7.353 9.476 23 H ARG 4 H ARG 4 1.563 3.028 5.898 24 HA ARG 4 HA ARG 4 1.465 5.195 3.959 25 HB3 ARG 4 2HB ARG 4 -0.186 3.197 3.011 26 HG3 ARG 4 2HG ARG 4 2.755 2.987 2.556 27 HD3 ARG 4 2HD ARG 4 0.821 1.657 1.394 28 HE ARG 4 HE ARG 4 -0.545 3.031 0.198 29 HH11 ARG 4 1HH1 ARG 4 2.706 4.260 -0.001 30 HH12 ARG 4 2HH1 ARG 4 2.300 5.520 -1.118 31 HH21 ARG 4 1HH2 ARG 4 -1.093 4.688 -1.272 32 HH22 ARG 4 2HH2 ARG 4 0.139 5.764 -1.840 33 H ARG 5 H ARG 5 -0.688 3.424 6.122 34 HA ARG 5 HA ARG 5 -2.960 5.060 5.313 35 HB3 ARG 5 2HB ARG 5 -3.852 3.525 7.396 36 HG3 ARG 5 2HG ARG 5 -3.967 3.354 4.497 37 HD3 ARG 5 2HD ARG 5 -4.776 1.076 4.382 38 HE ARG 5 HE ARG 5 -2.224 0.568 5.628 39 HH11 ARG 5 1HH1 ARG 5 -3.881 1.771 2.813 40 HH12 ARG 5 2HH1 ARG 5 -2.537 1.513 1.751 41 HH21 ARG 5 1HH2 ARG 5 -0.447 0.223 4.241 42 HH22 ARG 5 2HH2 ARG 5 -0.585 0.632 2.563 43 H GLN 6 H GLN 6 -0.431 5.334 7.427 44 HA GLN 6 HA GLN 6 -1.549 6.237 9.809 45 HB3 GLN 6 2HB GLN 6 0.658 7.786 9.646 46 HG3 GLN 6 2HG GLN 6 1.454 5.003 9.930 47 HE21 GLN 6 1HE2 GLN 6 2.920 4.827 11.543 48 HE22 GLN 6 2HE2 GLN 6 3.412 6.141 12.551 49 H ARG 7 H ARG 7 -1.398 7.743 6.705 50 HA ARG 7 HA ARG 7 -1.844 10.419 7.648 51 HB3 ARG 7 2HB ARG 7 -2.500 10.670 5.105 52 HG3 ARG 7 2HG ARG 7 0.128 10.437 6.392 53 HD3 ARG 7 2HD ARG 7 0.450 10.926 3.555 54 HE ARG 7 HE ARG 7 1.915 8.798 4.832 55 HH11 ARG 7 1HH1 ARG 7 1.639 12.237 4.368 56 HH12 ARG 7 2HH1 ARG 7 3.300 12.553 4.747 57 HH21 ARG 7 1HH2 ARG 7 4.103 9.201 5.334 58 HH22 ARG 7 2HH2 ARG 7 4.701 10.825 5.295 59 H ARG 8 H ARG 8 -3.799 7.680 6.981 60 HA ARG 8 HA ARG 8 -6.232 9.282 6.750 61 HB3 ARG 8 2HB ARG 8 -7.163 6.779 6.640 62 HG3 ARG 8 2HG ARG 8 -6.200 8.633 4.625 63 HD3 ARG 8 2HD ARG 8 -6.544 5.776 3.761 64 HE ARG 8 HE ARG 8 -6.408 8.129 2.298 65 HH11 ARG 8 1HH1 ARG 8 -4.788 5.050 2.414 66 HH12 ARG 8 2HH1 ARG 8 -4.399 5.044 0.725 67 HH21 ARG 8 1HH2 ARG 8 -5.902 8.133 0.073 68 HH22 ARG 8 2HH2 ARG 8 -5.034 6.798 -0.605 69 H GLY 9 H GLY 9 -4.649 6.988 8.903 70 HA2 GLY 9 2HA GLY 9 -5.063 7.499 11.314 71 HA3 GLY 9 3HA GLY 9 -6.769 7.515 10.894 72 H GLU 10 H GLU 10 -4.924 5.172 9.245 73 HA GLU 10 HA GLU 10 -5.890 3.094 11.099 74 HB3 GLU 10 2HB GLU 10 -5.748 1.667 8.893 75 HG3 GLU 10 2HG GLU 10 -7.978 3.649 9.284 76 H GLU 11 H GLU 11 -3.233 4.354 9.282 77 HA GLU 11 HA GLU 11 -0.994 3.934 9.431 78 HB3 GLU 11 2HB GLU 11 -1.507 1.649 11.310 79 HG3 GLU 11 2HG GLU 11 0.779 3.235 10.552 80 H ARG 12 H ARG 12 -2.615 0.772 9.784 81 HA ARG 12 HA ARG 12 -1.217 -0.100 7.340 82 HB3 ARG 12 2HB ARG 12 -1.290 -2.403 8.315 83 HG3 ARG 12 2HG ARG 12 0.477 -2.118 9.982 84 HD3 ARG 12 2HD ARG 12 2.098 -1.025 8.585 85 HE ARG 12 HE ARG 12 0.486 -2.058 6.446 86 HH11 ARG 12 1HH1 ARG 12 2.367 -2.887 9.257 87 HH12 ARG 12 2HH1 ARG 12 2.702 -4.499 8.718 88 HH21 ARG 12 1HH2 ARG 12 0.920 -4.179 5.726 89 HH22 ARG 12 2HH2 ARG 12 1.879 -5.232 6.710 90 H LYS 13 H LYS 13 -2.325 -1.712 6.057 91 HA LYS 13 HA LYS 13 -4.984 -1.065 5.508 92 HB3 LYS 13 2HB LYS 13 -3.799 -3.740 4.817 93 HG3 LYS 13 2HG LYS 13 -5.696 -1.851 3.475 94 HD3 LYS 13 2HD LYS 13 -4.088 -4.072 2.222 95 HE3 LYS 13 2HE LYS 13 -6.382 -2.559 0.987 96 HZ1 LYS 13 3HZ LYS 13 -4.390 -3.846 -0.240 97 HZ2 LYS 13 1HZ LYS 13 -5.950 -3.701 -0.880 98 HZ3 LYS 13 2HZ LYS 13 -5.499 -5.111 -0.061 99 H ALA 14 H ALA 14 -6.705 -1.418 6.734 100 HA ALA 14 HA ALA 14 -7.119 -4.069 7.883 101 HB1 ALA 14 1HB ALA 14 -6.238 -1.934 9.462 102 HB2 ALA 14 2HB ALA 14 -7.959 -2.106 9.808 103 HB3 ALA 14 3HB ALA 14 -6.877 -3.483 10.011 104 HA PRO 15 HA PRO 15 -11.320 -3.492 6.758 105 HB3 PRO 15 2HB PRO 15 -11.743 -5.589 7.598 106 HG3 PRO 15 2HG PRO 15 -10.711 -6.333 9.543 107 HD3 PRO 15 2HD PRO 15 -8.870 -5.572 8.384 Start of MODEL 13 1 H1 MET 1 H MET 1 5.810 -0.861 4.407 2 HA MET 1 HA MET 1 2.992 -0.617 3.683 3 HB3 MET 1 2HB MET 1 2.430 -2.812 4.558 4 HG3 MET 1 2HG MET 1 4.687 -3.049 2.583 5 HE1 MET 1 3HE MET 1 4.385 -5.203 0.716 6 HE2 MET 1 1HE MET 1 5.585 -5.141 2.006 7 HE3 MET 1 2HE MET 1 4.683 -6.628 1.712 8 H TRP 2 H TRP 2 4.903 0.826 5.416 9 HA TRP 2 HA TRP 2 3.392 0.581 7.929 10 HB3 TRP 2 2HB TRP 2 5.606 -0.386 8.281 11 HD1 TRP 2 HD TRP 2 6.836 3.255 8.255 12 HE1 TRP 2 1HE TRP 2 8.983 3.377 6.841 13 HE3 TRP 2 3HE TRP 2 6.884 -1.523 6.437 14 HZ2 TRP 2 2HZ TRP 2 10.496 1.674 5.175 15 HZ3 TRP 2 3HZ TRP 2 8.715 -2.196 4.938 16 HH2 TRP 2 HH TRP 2 10.483 -0.629 4.321 17 H GLN 3 H GLN 3 2.719 2.461 8.840 18 HA GLN 3 HA GLN 3 2.150 4.658 8.989 19 HB3 GLN 3 2HB GLN 3 3.966 6.313 8.575 20 HG3 GLN 3 2HG GLN 3 5.040 3.927 10.054 21 HE21 GLN 3 1HE2 GLN 3 5.567 5.266 12.361 22 HE22 GLN 3 2HE2 GLN 3 6.792 6.454 12.090 23 H ARG 4 H ARG 4 1.715 3.143 6.458 24 HA ARG 4 HA ARG 4 1.855 5.212 4.417 25 HB3 ARG 4 2HB ARG 4 0.455 3.122 3.307 26 HG3 ARG 4 2HG ARG 4 3.409 2.858 3.356 27 HD3 ARG 4 2HD ARG 4 1.661 1.663 1.837 28 HE ARG 4 HE ARG 4 1.054 4.188 1.015 29 HH11 ARG 4 1HH1 ARG 4 2.396 1.367 -0.520 30 HH12 ARG 4 2HH1 ARG 4 1.743 1.744 -2.080 31 HH21 ARG 4 1HH2 ARG 4 0.188 4.697 -1.034 32 HH22 ARG 4 2HH2 ARG 4 0.489 3.639 -2.371 33 H ARG 5 H ARG 5 -0.545 3.487 6.335 34 HA ARG 5 HA ARG 5 -2.706 5.011 5.092 35 HB3 ARG 5 2HB ARG 5 -4.003 3.526 6.891 36 HG3 ARG 5 2HG ARG 5 -2.981 1.906 4.635 37 HD3 ARG 5 2HD ARG 5 -4.983 1.449 6.219 38 HE ARG 5 HE ARG 5 -5.969 3.792 5.350 39 HH11 ARG 5 1HH1 ARG 5 -6.959 0.496 4.827 40 HH12 ARG 5 2HH1 ARG 5 -8.637 0.889 4.658 41 HH21 ARG 5 1HH2 ARG 5 -8.176 4.323 5.129 42 HH22 ARG 5 2HH2 ARG 5 -9.329 3.067 4.828 43 H GLN 6 H GLN 6 -0.582 5.351 7.623 44 HA GLN 6 HA GLN 6 -2.113 6.276 9.750 45 HB3 GLN 6 2HB GLN 6 0.202 7.897 9.616 46 HG3 GLN 6 2HG GLN 6 0.236 5.242 10.964 47 HE21 GLN 6 1HE2 GLN 6 1.648 5.197 12.620 48 HE22 GLN 6 2HE2 GLN 6 2.640 6.530 13.094 49 H ARG 7 H ARG 7 -1.172 7.871 6.777 50 HA ARG 7 HA ARG 7 -1.898 10.502 7.555 51 HB3 ARG 7 2HB ARG 7 -2.099 10.720 4.935 52 HG3 ARG 7 2HG ARG 7 0.287 10.460 6.642 53 HD3 ARG 7 2HD ARG 7 0.997 11.016 3.873 54 HE ARG 7 HE ARG 7 2.213 9.694 6.127 55 HH11 ARG 7 1HH1 ARG 7 2.401 10.331 2.710 56 HH12 ARG 7 2HH1 ARG 7 4.108 10.048 2.618 57 HH21 ARG 7 1HH2 ARG 7 4.461 9.320 6.020 58 HH22 ARG 7 2HH2 ARG 7 5.278 9.472 4.501 59 H ARG 8 H ARG 8 -3.710 7.746 6.630 60 HA ARG 8 HA ARG 8 -6.063 9.330 5.925 61 HB3 ARG 8 2HB ARG 8 -6.945 6.796 5.772 62 HG3 ARG 8 2HG ARG 8 -5.834 8.659 3.882 63 HD3 ARG 8 2HD ARG 8 -5.822 5.899 2.794 64 HE ARG 8 HE ARG 8 -3.856 7.835 1.973 65 HH11 ARG 8 1HH1 ARG 8 -7.117 6.691 1.550 66 HH12 ARG 8 2HH1 ARG 8 -7.275 7.337 -0.049 67 HH21 ARG 8 1HH2 ARG 8 -4.052 8.691 -0.133 68 HH22 ARG 8 2HH2 ARG 8 -5.531 8.474 -1.006 69 H GLY 9 H GLY 9 -4.847 7.190 8.431 70 HA2 GLY 9 2HA GLY 9 -5.689 7.771 10.701 71 HA3 GLY 9 3HA GLY 9 -7.296 7.748 9.990 72 H GLU 10 H GLU 10 -5.188 5.362 8.780 73 HA GLU 10 HA GLU 10 -6.420 3.352 10.548 74 HB3 GLU 10 2HB GLU 10 -5.912 1.861 8.407 75 HG3 GLU 10 2HG GLU 10 -8.263 3.434 7.777 76 H GLU 11 H GLU 11 -3.554 4.754 9.488 77 HA GLU 11 HA GLU 11 -1.382 4.350 10.071 78 HB3 GLU 11 2HB GLU 11 -2.110 1.742 11.350 79 HG3 GLU 11 2HG GLU 11 -0.396 3.890 12.519 80 H ARG 12 H ARG 12 -2.883 1.165 9.476 81 HA ARG 12 HA ARG 12 -1.161 0.856 7.127 82 HB3 ARG 12 2HB ARG 12 -0.587 -1.438 7.773 83 HG3 ARG 12 2HG ARG 12 0.132 0.722 9.714 84 HD3 ARG 12 2HD ARG 12 0.199 -1.984 10.359 85 HE ARG 12 HE ARG 12 2.690 -1.301 9.088 86 HH11 ARG 12 1HH1 ARG 12 1.145 -3.231 11.540 87 HH12 ARG 12 2HH1 ARG 12 2.389 -4.435 11.562 88 HH21 ARG 12 1HH2 ARG 12 4.336 -2.881 9.107 89 HH22 ARG 12 2HH2 ARG 12 4.205 -4.235 10.179 90 H LYS 13 H LYS 13 -1.914 -0.721 5.602 91 HA LYS 13 HA LYS 13 -4.680 -0.663 5.174 92 HB3 LYS 13 2HB LYS 13 -2.697 -2.631 4.017 93 HG3 LYS 13 2HG LYS 13 -5.189 -2.988 3.587 94 HD3 LYS 13 2HD LYS 13 -5.564 -0.486 3.232 95 HE3 LYS 13 2HE LYS 13 -3.586 -0.431 1.561 96 HZ1 LYS 13 3HZ LYS 13 -5.476 -1.987 0.119 97 HZ2 LYS 13 1HZ LYS 13 -3.873 -1.616 -0.275 98 HZ3 LYS 13 2HZ LYS 13 -5.119 -0.562 -0.720 99 H ALA 14 H ALA 14 -6.204 -1.668 6.294 100 HA ALA 14 HA ALA 14 -5.869 -4.493 6.949 101 HB1 ALA 14 1HB ALA 14 -7.127 -3.247 9.190 102 HB2 ALA 14 2HB ALA 14 -5.654 -4.216 9.140 103 HB3 ALA 14 3HB ALA 14 -5.571 -2.472 8.891 104 HA PRO 15 HA PRO 15 -10.106 -4.846 5.867 105 HB3 PRO 15 2HB PRO 15 -9.918 -7.103 6.247 106 HG3 PRO 15 2HG PRO 15 -8.647 -7.920 8.015 107 HD3 PRO 15 2HD PRO 15 -7.126 -6.471 7.070 Start of MODEL 14 1 H1 MET 1 H MET 1 5.957 0.349 3.202 2 HA MET 1 HA MET 1 3.205 -0.204 2.310 3 HB3 MET 1 2HB MET 1 5.049 -2.096 3.773 4 HG3 MET 1 2HG MET 1 2.812 -2.970 2.031 5 HE1 MET 1 3HE MET 1 3.181 -6.429 2.507 6 HE2 MET 1 1HE MET 1 1.728 -5.758 3.248 7 HE3 MET 1 2HE MET 1 2.389 -5.028 1.784 8 H TRP 2 H TRP 2 5.246 0.600 4.990 9 HA TRP 2 HA TRP 2 3.013 0.290 6.868 10 HB3 TRP 2 2HB TRP 2 5.006 -0.746 7.676 11 HD1 TRP 2 HD TRP 2 6.233 2.935 7.338 12 HE1 TRP 2 1HE TRP 2 8.714 2.871 6.657 13 HE3 TRP 2 3HE TRP 2 6.875 -2.131 7.082 14 HZ2 TRP 2 2HZ TRP 2 10.683 0.931 6.086 15 HZ3 TRP 2 3HZ TRP 2 9.088 -3.008 6.461 16 HH2 TRP 2 HH TRP 2 10.952 -1.508 5.972 17 H GLN 3 H GLN 3 2.422 2.011 8.270 18 HA GLN 3 HA GLN 3 1.816 4.158 8.715 19 HB3 GLN 3 2HB GLN 3 3.728 5.881 8.186 20 HG3 GLN 3 2HG GLN 3 3.116 4.643 10.424 21 HE21 GLN 3 1HE2 GLN 3 3.232 2.417 10.538 22 HE22 GLN 3 2HE2 GLN 3 4.716 1.574 10.803 23 H ARG 4 H ARG 4 1.305 3.006 6.045 24 HA ARG 4 HA ARG 4 1.457 5.285 4.250 25 HB3 ARG 4 2HB ARG 4 -0.086 3.370 2.992 26 HG3 ARG 4 2HG ARG 4 2.888 3.147 2.884 27 HD3 ARG 4 2HD ARG 4 0.684 3.156 0.825 28 HE ARG 4 HE ARG 4 3.282 2.327 -0.036 29 HH11 ARG 4 1HH1 ARG 4 1.197 5.080 0.407 30 HH12 ARG 4 2HH1 ARG 4 1.988 6.037 -0.801 31 HH21 ARG 4 1HH2 ARG 4 4.331 3.578 -1.629 32 HH22 ARG 4 2HH2 ARG 4 3.769 5.182 -1.960 33 H ARG 5 H ARG 5 -0.876 3.627 6.243 34 HA ARG 5 HA ARG 5 -3.066 5.230 5.152 35 HB3 ARG 5 2HB ARG 5 -4.555 3.760 6.252 36 HG3 ARG 5 2HG ARG 5 -2.575 1.639 5.850 37 HD3 ARG 5 2HD ARG 5 -4.960 1.188 5.907 38 HE ARG 5 HE ARG 5 -6.212 2.881 4.979 39 HH11 ARG 5 1HH1 ARG 5 -3.873 1.738 2.667 40 HH12 ARG 5 2HH1 ARG 5 -4.566 2.611 1.339 41 HH21 ARG 5 1HH2 ARG 5 -7.133 4.034 3.240 42 HH22 ARG 5 2HH2 ARG 5 -6.419 3.918 1.667 43 H GLN 6 H GLN 6 -0.763 5.463 7.529 44 HA GLN 6 HA GLN 6 -2.111 6.407 9.770 45 HB3 GLN 6 2HB GLN 6 0.382 7.832 9.129 46 HG3 GLN 6 2HG GLN 6 -0.441 6.006 11.374 47 HE21 GLN 6 1HE2 GLN 6 1.086 5.350 12.718 48 HE22 GLN 6 2HE2 GLN 6 2.730 5.883 12.717 49 H ARG 7 H ARG 7 -1.555 7.909 6.701 50 HA ARG 7 HA ARG 7 -2.034 10.596 7.560 51 HB3 ARG 7 2HB ARG 7 -2.485 10.811 4.965 52 HG3 ARG 7 2HG ARG 7 0.013 10.581 6.477 53 HD3 ARG 7 2HD ARG 7 0.688 10.969 3.715 54 HE ARG 7 HE ARG 7 1.775 8.707 5.131 55 HH11 ARG 7 1HH1 ARG 7 1.879 12.159 4.692 56 HH12 ARG 7 2HH1 ARG 7 3.500 12.317 5.283 57 HH21 ARG 7 1HH2 ARG 7 3.909 8.902 5.911 58 HH22 ARG 7 2HH2 ARG 7 4.655 10.463 5.976 59 H ARG 8 H ARG 8 -4.014 7.907 6.734 60 HA ARG 8 HA ARG 8 -6.371 9.589 6.328 61 HB3 ARG 8 2HB ARG 8 -7.399 7.163 6.077 62 HG3 ARG 8 2HG ARG 8 -6.123 8.948 4.207 63 HD3 ARG 8 2HD ARG 8 -6.363 6.118 3.244 64 HE ARG 8 HE ARG 8 -5.990 8.416 1.849 65 HH11 ARG 8 1HH1 ARG 8 -4.041 5.590 2.425 66 HH12 ARG 8 2HH1 ARG 8 -3.214 5.689 0.905 67 HH21 ARG 8 1HH2 ARG 8 -4.909 8.559 -0.155 68 HH22 ARG 8 2HH2 ARG 8 -3.708 7.379 -0.561 69 H GLY 9 H GLY 9 -4.982 7.315 8.610 70 HA2 GLY 9 2HA GLY 9 -5.607 7.822 10.971 71 HA3 GLY 9 3HA GLY 9 -7.272 7.829 10.408 72 H GLU 10 H GLU 10 -5.242 5.490 8.960 73 HA GLU 10 HA GLU 10 -6.387 3.413 10.710 74 HB3 GLU 10 2HB GLU 10 -6.401 1.918 8.768 75 HG3 GLU 10 2HG GLU 10 -8.141 4.052 9.119 76 H GLU 11 H GLU 11 -3.557 4.726 9.257 77 HA GLU 11 HA GLU 11 -1.347 4.327 9.676 78 HB3 GLU 11 2HB GLU 11 -1.998 1.947 11.371 79 HG3 GLU 11 2HG GLU 11 0.116 4.047 11.332 80 H ARG 12 H ARG 12 -2.963 1.144 9.688 81 HA ARG 12 HA ARG 12 -1.377 0.429 7.316 82 HB3 ARG 12 2HB ARG 12 -1.000 -1.796 8.194 83 HG3 ARG 12 2HG ARG 12 0.294 -1.316 10.289 84 HD3 ARG 12 2HD ARG 12 1.845 0.342 9.144 85 HE ARG 12 HE ARG 12 1.443 -1.721 7.190 86 HH11 ARG 12 1HH1 ARG 12 2.550 -1.024 10.417 87 HH12 ARG 12 2HH1 ARG 12 3.591 -2.407 10.499 88 HH21 ARG 12 1HH2 ARG 12 2.809 -3.546 7.286 89 HH22 ARG 12 2HH2 ARG 12 3.738 -3.840 8.717 90 H LYS 13 H LYS 13 -2.313 -1.231 5.980 91 HA LYS 13 HA LYS 13 -5.043 -0.882 5.491 92 HB3 LYS 13 2HB LYS 13 -3.577 -1.616 3.729 93 HG3 LYS 13 2HG LYS 13 -3.287 -4.282 5.082 94 HD3 LYS 13 2HD LYS 13 -1.296 -4.280 3.431 95 HE3 LYS 13 2HE LYS 13 -3.584 -5.522 3.310 96 HZ1 LYS 13 3HZ LYS 13 -4.248 -4.569 0.810 97 HZ2 LYS 13 1HZ LYS 13 -4.125 -3.194 1.788 98 HZ3 LYS 13 2HZ LYS 13 -5.170 -4.449 2.224 99 H ALA 14 H ALA 14 -6.689 -1.517 6.706 100 HA ALA 14 HA ALA 14 -6.515 -4.137 8.047 101 HB1 ALA 14 1HB ALA 14 -6.949 -3.188 10.004 102 HB2 ALA 14 2HB ALA 14 -6.854 -1.604 9.230 103 HB3 ALA 14 3HB ALA 14 -8.406 -2.437 9.352 104 HA PRO 15 HA PRO 15 -10.256 -5.348 6.102 105 HB3 PRO 15 2HB PRO 15 -10.104 -7.332 7.251 106 HG3 PRO 15 2HG PRO 15 -9.361 -7.388 9.454 107 HD3 PRO 15 2HD PRO 15 -7.685 -6.123 8.502 Start of MODEL 15 1 H1 MET 1 H MET 1 4.811 -3.008 3.078 2 HA MET 1 HA MET 1 4.378 -0.637 3.479 3 HB3 MET 1 2HB MET 1 1.717 -0.840 3.399 4 HG3 MET 1 2HG MET 1 3.598 -1.692 1.216 5 HE1 MET 1 3HE MET 1 3.003 -3.151 -0.118 6 HE2 MET 1 1HE MET 1 1.397 -3.668 -0.630 7 HE3 MET 1 2HE MET 1 2.249 -2.415 -1.533 8 H TRP 2 H TRP 2 4.595 0.578 5.236 9 HA TRP 2 HA TRP 2 2.679 0.234 7.423 10 HB3 TRP 2 2HB TRP 2 4.565 -0.932 8.283 11 HD1 TRP 2 HD TRP 2 6.343 2.491 7.870 12 HE1 TRP 2 1HE TRP 2 8.710 2.047 6.962 13 HE3 TRP 2 3HE TRP 2 6.041 -2.575 7.256 14 HZ2 TRP 2 2HZ TRP 2 10.246 -0.159 6.099 15 HZ3 TRP 2 3HZ TRP 2 8.003 -3.776 6.384 16 HH2 TRP 2 HH TRP 2 10.061 -2.591 5.817 17 H GLN 3 H GLN 3 2.394 2.125 8.734 18 HA GLN 3 HA GLN 3 2.024 4.354 8.998 19 HB3 GLN 3 2HB GLN 3 4.012 5.844 8.392 20 HG3 GLN 3 2HG GLN 3 4.866 3.527 10.083 21 HE21 GLN 3 1HE2 GLN 3 4.408 7.051 10.106 22 HE22 GLN 3 2HE2 GLN 3 5.988 7.421 10.697 23 H ARG 4 H ARG 4 1.302 3.019 6.437 24 HA ARG 4 HA ARG 4 1.537 5.165 4.484 25 HB3 ARG 4 2HB ARG 4 -0.112 3.278 3.359 26 HG3 ARG 4 2HG ARG 4 2.789 2.703 3.231 27 HD3 ARG 4 2HD ARG 4 0.599 3.145 1.207 28 HE ARG 4 HE ARG 4 3.053 1.996 0.272 29 HH11 ARG 4 1HH1 ARG 4 1.335 4.974 0.817 30 HH12 ARG 4 2HH1 ARG 4 2.223 5.858 -0.379 31 HH21 ARG 4 1HH2 ARG 4 4.230 3.149 -1.306 32 HH22 ARG 4 2HH2 ARG 4 3.869 4.818 -1.587 33 H ARG 5 H ARG 5 -0.942 3.532 6.400 34 HA ARG 5 HA ARG 5 -2.994 5.335 5.376 35 HB3 ARG 5 2HB ARG 5 -4.205 3.800 7.308 36 HG3 ARG 5 2HG ARG 5 -4.015 3.702 4.390 37 HD3 ARG 5 2HD ARG 5 -5.131 1.554 4.182 38 HE ARG 5 HE ARG 5 -2.789 0.724 5.652 39 HH11 ARG 5 1HH1 ARG 5 -4.025 2.092 2.698 40 HH12 ARG 5 2HH1 ARG 5 -2.642 1.641 1.757 41 HH21 ARG 5 1HH2 ARG 5 -0.962 0.126 4.424 42 HH22 ARG 5 2HH2 ARG 5 -0.900 0.522 2.739 43 H GLN 6 H GLN 6 -0.721 5.357 7.784 44 HA GLN 6 HA GLN 6 -2.051 6.283 10.045 45 HB3 GLN 6 2HB GLN 6 0.308 5.664 10.070 46 HG3 GLN 6 2HG GLN 6 0.702 6.977 7.810 47 HE21 GLN 6 1HE2 GLN 6 2.787 8.593 7.633 48 HE22 GLN 6 2HE2 GLN 6 2.431 10.166 8.252 49 H ARG 7 H ARG 7 -1.431 7.844 7.033 50 HA ARG 7 HA ARG 7 -1.789 10.525 8.016 51 HB3 ARG 7 2HB ARG 7 -2.086 10.888 5.415 52 HG3 ARG 7 2HG ARG 7 0.350 10.397 7.004 53 HD3 ARG 7 2HD ARG 7 0.894 11.067 4.201 54 HE ARG 7 HE ARG 7 2.376 8.992 5.545 55 HH11 ARG 7 1HH1 ARG 7 1.965 12.421 5.105 56 HH12 ARG 7 2HH1 ARG 7 3.581 12.810 5.591 57 HH21 ARG 7 1HH2 ARG 7 4.507 9.491 6.188 58 HH22 ARG 7 2HH2 ARG 7 5.027 11.142 6.207 59 H ARG 8 H ARG 8 -3.827 7.960 6.994 60 HA ARG 8 HA ARG 8 -6.087 9.747 6.507 61 HB3 ARG 8 2HB ARG 8 -7.161 7.310 6.197 62 HG3 ARG 8 2HG ARG 8 -5.904 9.189 4.396 63 HD3 ARG 8 2HD ARG 8 -6.222 6.438 3.265 64 HE ARG 8 HE ARG 8 -5.291 8.948 2.239 65 HH11 ARG 8 1HH1 ARG 8 -5.067 5.488 1.928 66 HH12 ARG 8 2HH1 ARG 8 -4.583 5.538 0.264 67 HH21 ARG 8 1HH2 ARG 8 -4.656 9.027 0.049 68 HH22 ARG 8 2HH2 ARG 8 -4.349 7.551 -0.803 69 H GLY 9 H GLY 9 -4.967 7.289 8.766 70 HA2 GLY 9 2HA GLY 9 -5.670 7.776 11.119 71 HA3 GLY 9 3HA GLY 9 -7.299 7.905 10.474 72 H GLU 10 H GLU 10 -5.417 5.494 8.991 73 HA GLU 10 HA GLU 10 -6.735 3.436 10.641 74 HB3 GLU 10 2HB GLU 10 -6.593 2.011 8.551 75 HG3 GLU 10 2HG GLU 10 -8.365 4.350 8.877 76 H GLU 11 H GLU 11 -3.785 4.582 9.264 77 HA GLU 11 HA GLU 11 -1.617 4.018 9.710 78 HB3 GLU 11 2HB GLU 11 -2.459 1.670 11.364 79 HG3 GLU 11 2HG GLU 11 -0.521 3.701 12.291 80 H ARG 12 H ARG 12 -3.452 0.957 9.666 81 HA ARG 12 HA ARG 12 -1.911 0.165 7.290 82 HB3 ARG 12 2HB ARG 12 -1.780 -2.137 8.183 83 HG3 ARG 12 2HG ARG 12 -0.317 -1.545 10.275 84 HD3 ARG 12 2HD ARG 12 0.771 -0.301 7.823 85 HE ARG 12 HE ARG 12 2.528 -0.994 9.129 86 HH11 ARG 12 1HH1 ARG 12 0.234 -3.590 8.784 87 HH12 ARG 12 2HH1 ARG 12 1.274 -4.778 9.498 88 HH21 ARG 12 1HH2 ARG 12 3.907 -2.550 10.070 89 HH22 ARG 12 2HH2 ARG 12 3.362 -4.186 10.229 90 H LYS 13 H LYS 13 -2.948 -1.414 5.941 91 HA LYS 13 HA LYS 13 -5.696 -0.935 5.561 92 HB3 LYS 13 2HB LYS 13 -3.886 -1.746 3.884 93 HG3 LYS 13 2HG LYS 13 -4.038 -4.149 3.376 94 HD3 LYS 13 2HD LYS 13 -2.599 -4.947 5.217 95 HE3 LYS 13 2HE LYS 13 -2.002 -2.103 4.404 96 HZ1 LYS 13 3HZ LYS 13 -0.148 -4.312 5.109 97 HZ2 LYS 13 1HZ LYS 13 -0.532 -3.017 6.128 98 HZ3 LYS 13 2HZ LYS 13 0.283 -2.736 4.672 99 H ALA 14 H ALA 14 -7.500 -2.031 6.146 100 HA ALA 14 HA ALA 14 -7.250 -4.624 7.461 101 HB1 ALA 14 1HB ALA 14 -8.050 -2.107 8.806 102 HB2 ALA 14 2HB ALA 14 -8.952 -3.569 9.209 103 HB3 ALA 14 3HB ALA 14 -7.204 -3.518 9.446 104 HA PRO 15 HA PRO 15 -11.055 -5.548 5.480 105 HB3 PRO 15 2HB PRO 15 -10.885 -7.666 6.356 106 HG3 PRO 15 2HG PRO 15 -10.073 -8.012 8.508 107 HD3 PRO 15 2HD PRO 15 -8.417 -6.643 7.675 Start of MODEL 16 1 H1 MET 1 H MET 1 4.262 -0.067 1.966 2 HA MET 1 HA MET 1 1.773 -0.652 2.906 3 HB3 MET 1 2HB MET 1 4.349 -1.901 3.877 4 HG3 MET 1 2HG MET 1 1.625 -3.150 3.645 5 HE1 MET 1 3HE MET 1 4.559 -5.123 6.368 6 HE2 MET 1 1HE MET 1 5.412 -3.893 5.433 7 HE3 MET 1 2HE MET 1 3.992 -3.452 6.382 8 H TRP 2 H TRP 2 4.582 -0.074 5.031 9 HA TRP 2 HA TRP 2 2.801 0.357 7.286 10 HB3 TRP 2 2HB TRP 2 4.901 -0.963 7.525 11 HD1 TRP 2 HD TRP 2 6.506 2.426 8.265 12 HE1 TRP 2 1HE TRP 2 8.721 2.591 6.965 13 HE3 TRP 2 3HE TRP 2 6.101 -1.810 5.431 14 HZ2 TRP 2 2HZ TRP 2 10.113 1.119 4.999 15 HZ3 TRP 2 3HZ TRP 2 7.917 -2.360 3.865 16 HH2 TRP 2 HH TRP 2 9.881 -0.924 3.655 17 H GLN 3 H GLN 3 2.579 2.271 8.417 18 HA GLN 3 HA GLN 3 2.414 4.520 8.713 19 HB3 GLN 3 2HB GLN 3 4.537 5.780 7.663 20 HG3 GLN 3 2HG GLN 3 5.817 4.663 9.757 21 HE21 GLN 3 1HE2 GLN 3 6.103 6.135 11.398 22 HE22 GLN 3 2HE2 GLN 3 5.349 7.690 11.406 23 H ARG 4 H ARG 4 1.558 3.171 6.141 24 HA ARG 4 HA ARG 4 1.725 5.350 4.220 25 HB3 ARG 4 2HB ARG 4 0.037 3.503 3.108 26 HG3 ARG 4 2HG ARG 4 2.955 2.945 2.948 27 HD3 ARG 4 2HD ARG 4 1.001 1.936 1.535 28 HE ARG 4 HE ARG 4 0.761 4.587 0.708 29 HH11 ARG 4 1HH1 ARG 4 1.143 1.423 -0.695 30 HH12 ARG 4 2HH1 ARG 4 0.306 1.828 -2.158 31 HH21 ARG 4 1HH2 ARG 4 -0.343 5.131 -1.213 32 HH22 ARG 4 2HH2 ARG 4 -0.537 3.938 -2.452 33 H ARG 5 H ARG 5 -0.719 3.645 6.134 34 HA ARG 5 HA ARG 5 -2.784 5.497 5.244 35 HB3 ARG 5 2HB ARG 5 -3.949 3.919 7.164 36 HG3 ARG 5 2HG ARG 5 -3.840 3.904 4.246 37 HD3 ARG 5 2HD ARG 5 -4.926 1.743 3.995 38 HE ARG 5 HE ARG 5 -2.519 0.906 5.351 39 HH11 ARG 5 1HH1 ARG 5 -3.881 2.363 2.497 40 HH12 ARG 5 2HH1 ARG 5 -2.522 1.977 1.494 41 HH21 ARG 5 1HH2 ARG 5 -0.724 0.394 4.040 42 HH22 ARG 5 2HH2 ARG 5 -0.728 0.857 2.372 43 H GLN 6 H GLN 6 -0.435 5.454 7.574 44 HA GLN 6 HA GLN 6 -1.686 6.316 9.904 45 HB3 GLN 6 2HB GLN 6 0.642 7.696 10.002 46 HG3 GLN 6 2HG GLN 6 1.152 4.833 10.229 47 HE21 GLN 6 1HE2 GLN 6 0.194 7.574 12.274 48 HE22 GLN 6 2HE2 GLN 6 1.640 7.592 13.220 49 H ARG 7 H ARG 7 -1.149 7.969 6.919 50 HA ARG 7 HA ARG 7 -1.494 10.616 7.993 51 HB3 ARG 7 2HB ARG 7 -1.855 11.060 5.415 52 HG3 ARG 7 2HG ARG 7 0.624 10.513 6.919 53 HD3 ARG 7 2HD ARG 7 1.051 11.276 4.109 54 HE ARG 7 HE ARG 7 2.657 9.237 5.360 55 HH11 ARG 7 1HH1 ARG 7 2.112 12.655 4.988 56 HH12 ARG 7 2HH1 ARG 7 3.732 13.092 5.414 57 HH21 ARG 7 1HH2 ARG 7 4.795 9.800 5.922 58 HH22 ARG 7 2HH2 ARG 7 5.258 11.468 5.945 59 H ARG 8 H ARG 8 -3.548 8.076 6.938 60 HA ARG 8 HA ARG 8 -5.827 9.868 6.567 61 HB3 ARG 8 2HB ARG 8 -6.883 7.417 6.218 62 HG3 ARG 8 2HG ARG 8 -5.828 9.425 4.465 63 HD3 ARG 8 2HD ARG 8 -5.989 6.857 3.020 64 HE ARG 8 HE ARG 8 -3.875 8.688 2.416 65 HH11 ARG 8 1HH1 ARG 8 -7.285 8.087 2.055 66 HH12 ARG 8 2HH1 ARG 8 -7.432 9.038 0.614 67 HH21 ARG 8 1HH2 ARG 8 -4.056 9.943 0.520 68 HH22 ARG 8 2HH2 ARG 8 -5.596 10.091 -0.259 69 H GLY 9 H GLY 9 -4.642 7.340 8.713 70 HA2 GLY 9 2HA GLY 9 -5.282 7.735 11.098 71 HA3 GLY 9 3HA GLY 9 -6.929 7.897 10.502 72 H GLU 10 H GLU 10 -5.074 5.532 8.899 73 HA GLU 10 HA GLU 10 -6.372 3.422 10.495 74 HB3 GLU 10 2HB GLU 10 -6.149 2.092 8.284 75 HG3 GLU 10 2HG GLU 10 -8.108 4.339 8.628 76 H GLU 11 H GLU 11 -3.442 4.617 9.131 77 HA GLU 11 HA GLU 11 -1.269 4.032 9.517 78 HB3 GLU 11 2HB GLU 11 -2.154 1.639 11.101 79 HG3 GLU 11 2HG GLU 11 0.299 3.119 10.779 80 H ARG 12 H ARG 12 -3.101 0.969 9.381 81 HA ARG 12 HA ARG 12 -1.607 0.281 6.945 82 HB3 ARG 12 2HB ARG 12 -2.138 -2.131 8.304 83 HG3 ARG 12 2HG ARG 12 0.231 -0.635 7.430 84 HD3 ARG 12 2HD ARG 12 0.303 -1.758 9.991 85 HE ARG 12 HE ARG 12 0.730 -3.890 8.376 86 HH11 ARG 12 1HH1 ARG 12 2.780 -2.018 10.478 87 HH12 ARG 12 2HH1 ARG 12 3.829 -3.346 10.851 88 HH21 ARG 12 1HH2 ARG 12 2.105 -5.644 8.860 89 HH22 ARG 12 2HH2 ARG 12 3.445 -5.407 9.930 90 H LYS 13 H LYS 13 -2.664 -1.255 5.559 91 HA LYS 13 HA LYS 13 -5.393 -0.758 5.188 92 HB3 LYS 13 2HB LYS 13 -3.814 -1.510 3.416 93 HG3 LYS 13 2HG LYS 13 -3.181 -3.588 5.076 94 HD3 LYS 13 2HD LYS 13 -5.295 -4.444 3.174 95 HE3 LYS 13 2HE LYS 13 -3.252 -5.504 2.282 96 HZ1 LYS 13 3HZ LYS 13 -1.736 -5.880 3.901 97 HZ2 LYS 13 1HZ LYS 13 -2.495 -7.393 3.948 98 HZ3 LYS 13 2HZ LYS 13 -2.894 -6.210 5.091 99 H ALA 14 H ALA 14 -7.221 -1.764 5.827 100 HA ALA 14 HA ALA 14 -7.042 -4.345 7.190 101 HB1 ALA 14 1HB ALA 14 -7.083 -3.298 9.177 102 HB2 ALA 14 2HB ALA 14 -7.661 -1.783 8.482 103 HB3 ALA 14 3HB ALA 14 -8.799 -3.085 8.831 104 HA PRO 15 HA PRO 15 -10.848 -5.252 5.205 105 HB3 PRO 15 2HB PRO 15 -10.744 -7.337 6.167 106 HG3 PRO 15 2HG PRO 15 -9.971 -7.617 8.341 107 HD3 PRO 15 2HD PRO 15 -8.268 -6.324 7.479 Start of MODEL 17 1 H1 MET 1 H MET 1 4.430 -1.517 2.362 2 HA MET 1 HA MET 1 1.637 -0.789 2.949 3 HB3 MET 1 2HB MET 1 1.793 -3.090 2.107 4 HG3 MET 1 2HG MET 1 3.661 -3.502 4.423 5 HE1 MET 1 3HE MET 1 4.061 -7.324 4.378 6 HE2 MET 1 1HE MET 1 4.988 -5.845 4.127 7 HE3 MET 1 2HE MET 1 3.992 -6.026 5.570 8 H TRP 2 H TRP 2 3.941 0.540 3.970 9 HA TRP 2 HA TRP 2 3.641 -0.108 6.825 10 HB3 TRP 2 2HB TRP 2 6.196 0.618 5.378 11 HD1 TRP 2 HD TRP 2 4.578 0.678 8.831 12 HE1 TRP 2 1HE TRP 2 6.276 1.608 10.528 13 HE3 TRP 2 3HE TRP 2 8.723 0.810 5.842 14 HZ2 TRP 2 2HZ TRP 2 9.010 2.305 10.590 15 HZ3 TRP 2 3HZ TRP 2 10.839 1.622 6.797 16 HH2 TRP 2 HH TRP 2 10.979 2.354 9.122 17 H GLN 3 H GLN 3 2.684 1.535 7.811 18 HA GLN 3 HA GLN 3 2.027 3.635 8.386 19 HB3 GLN 3 2HB GLN 3 3.825 5.456 7.909 20 HG3 GLN 3 2HG GLN 3 4.043 3.153 9.764 21 HE21 GLN 3 1HE2 GLN 3 5.577 3.933 11.684 22 HE22 GLN 3 2HE2 GLN 3 7.214 4.178 11.192 23 H ARG 4 H ARG 4 1.238 2.629 5.817 24 HA ARG 4 HA ARG 4 1.334 4.921 4.027 25 HB3 ARG 4 2HB ARG 4 -0.388 3.062 2.905 26 HG3 ARG 4 2HG ARG 4 2.533 2.731 2.458 27 HD3 ARG 4 2HD ARG 4 1.612 3.028 0.062 28 HE ARG 4 HE ARG 4 1.977 0.763 1.466 29 HH11 ARG 4 1HH1 ARG 4 -0.495 1.769 -0.769 30 HH12 ARG 4 2HH1 ARG 4 -0.819 0.165 -1.336 31 HH21 ARG 4 1HH2 ARG 4 1.561 -1.354 0.727 32 HH22 ARG 4 2HH2 ARG 4 0.351 -1.612 -0.485 33 H ARG 5 H ARG 5 -0.857 3.341 6.224 34 HA ARG 5 HA ARG 5 -3.089 5.009 5.334 35 HB3 ARG 5 2HB ARG 5 -4.484 3.623 6.746 36 HG3 ARG 5 2HG ARG 5 -4.145 1.405 5.823 37 HD3 ARG 5 2HD ARG 5 -4.105 1.964 3.444 38 HE ARG 5 HE ARG 5 -5.748 3.493 5.250 39 HH11 ARG 5 1HH1 ARG 5 -5.027 2.769 1.921 40 HH12 ARG 5 2HH1 ARG 5 -6.591 3.241 1.345 41 HH21 ARG 5 1HH2 ARG 5 -7.810 4.117 4.502 42 HH22 ARG 5 2HH2 ARG 5 -8.173 4.008 2.814 43 H GLN 6 H GLN 6 -0.567 5.170 7.488 44 HA GLN 6 HA GLN 6 -1.669 6.163 9.839 45 HB3 GLN 6 2HB GLN 6 0.779 7.543 9.033 46 HG3 GLN 6 2HG GLN 6 0.448 5.433 11.140 47 HE21 GLN 6 1HE2 GLN 6 2.171 5.219 12.414 48 HE22 GLN 6 2HE2 GLN 6 3.593 6.195 12.336 49 H ARG 7 H ARG 7 -1.269 7.672 6.732 50 HA ARG 7 HA ARG 7 -1.625 10.360 7.631 51 HB3 ARG 7 2HB ARG 7 -2.246 10.618 5.081 52 HG3 ARG 7 2HG ARG 7 0.344 10.260 6.398 53 HD3 ARG 7 2HD ARG 7 0.861 10.637 3.611 54 HE ARG 7 HE ARG 7 1.869 8.272 4.912 55 HH11 ARG 7 1HH1 ARG 7 2.187 11.719 4.544 56 HH12 ARG 7 2HH1 ARG 7 3.845 11.750 5.040 57 HH21 ARG 7 1HH2 ARG 7 4.054 8.300 5.566 58 HH22 ARG 7 2HH2 ARG 7 4.907 9.805 5.621 59 H ARG 8 H ARG 8 -3.739 7.735 6.924 60 HA ARG 8 HA ARG 8 -6.068 9.489 6.705 61 HB3 ARG 8 2HB ARG 8 -7.150 7.050 6.547 62 HG3 ARG 8 2HG ARG 8 -6.134 8.909 4.597 63 HD3 ARG 8 2HD ARG 8 -6.480 6.157 3.494 64 HE ARG 8 HE ARG 8 -4.663 7.964 2.231 65 HH11 ARG 8 1HH1 ARG 8 -8.030 7.177 2.633 66 HH12 ARG 8 2HH1 ARG 8 -8.509 7.881 1.124 67 HH21 ARG 8 1HH2 ARG 8 -5.281 8.894 0.242 68 HH22 ARG 8 2HH2 ARG 8 -6.944 8.857 -0.235 69 H GLY 9 H GLY 9 -4.574 7.171 8.870 70 HA2 GLY 9 2HA GLY 9 -5.016 7.667 11.272 71 HA3 GLY 9 3HA GLY 9 -6.716 7.727 10.831 72 H GLU 10 H GLU 10 -4.821 5.345 9.251 73 HA GLU 10 HA GLU 10 -5.908 3.285 11.058 74 HB3 GLU 10 2HB GLU 10 -5.600 1.919 8.753 75 HG3 GLU 10 2HG GLU 10 -8.088 3.472 8.738 76 H GLU 11 H GLU 11 -3.138 4.666 9.729 77 HA GLU 11 HA GLU 11 -0.925 4.194 10.033 78 HB3 GLU 11 2HB GLU 11 -0.230 2.605 11.627 79 HG3 GLU 11 2HG GLU 11 -1.547 2.931 13.538 80 H ARG 12 H ARG 12 -2.548 1.042 9.606 81 HA ARG 12 HA ARG 12 -1.036 0.696 7.110 82 HB3 ARG 12 2HB ARG 12 -0.563 -1.605 7.639 83 HG3 ARG 12 2HG ARG 12 0.343 -1.020 10.209 84 HD3 ARG 12 2HD ARG 12 1.873 -0.328 7.728 85 HE ARG 12 HE ARG 12 2.738 -0.575 10.264 86 HH11 ARG 12 1HH1 ARG 12 3.234 -2.504 7.409 87 HH12 ARG 12 2HH1 ARG 12 4.808 -3.046 7.890 88 HH21 ARG 12 1HH2 ARG 12 4.808 -1.280 10.909 89 HH22 ARG 12 2HH2 ARG 12 5.702 -2.350 9.882 90 H LYS 13 H LYS 13 -2.005 -0.761 5.580 91 HA LYS 13 HA LYS 13 -4.763 -0.404 5.265 92 HB3 LYS 13 2HB LYS 13 -4.593 -1.824 3.352 93 HG3 LYS 13 2HG LYS 13 -1.775 -0.947 3.315 94 HD3 LYS 13 2HD LYS 13 -2.532 0.085 1.199 95 HE3 LYS 13 2HE LYS 13 -3.348 -2.800 1.551 96 HZ1 LYS 13 3HZ LYS 13 -3.086 -1.093 -0.797 97 HZ2 LYS 13 1HZ LYS 13 -4.074 -2.443 -0.544 98 HZ3 LYS 13 2HZ LYS 13 -2.437 -2.650 -0.917 99 H ALA 14 H ALA 14 -6.347 -1.274 6.412 100 HA ALA 14 HA ALA 14 -6.284 -4.132 7.006 101 HB1 ALA 14 1HB ALA 14 -7.323 -2.754 9.303 102 HB2 ALA 14 2HB ALA 14 -6.025 -3.944 9.203 103 HB3 ALA 14 3HB ALA 14 -5.672 -2.232 8.968 104 HA PRO 15 HA PRO 15 -10.567 -4.025 6.063 105 HB3 PRO 15 2HB PRO 15 -10.600 -6.298 6.395 106 HG3 PRO 15 2HG PRO 15 -9.363 -7.280 8.103 107 HD3 PRO 15 2HD PRO 15 -7.732 -5.972 7.132 Start of MODEL 18 1 H1 MET 1 H MET 1 3.656 -2.513 3.715 2 HA MET 1 HA MET 1 2.401 0.050 3.043 3 HB3 MET 1 2HB MET 1 0.295 -0.857 4.198 4 HG3 MET 1 2HG MET 1 0.698 -0.573 1.652 5 HE1 MET 1 3HE MET 1 1.731 -2.725 -1.017 6 HE2 MET 1 1HE MET 1 1.325 -1.147 -0.341 7 HE3 MET 1 2HE MET 1 2.828 -1.944 0.122 8 H TRP 2 H TRP 2 4.129 0.783 4.480 9 HA TRP 2 HA TRP 2 3.426 0.394 7.316 10 HB3 TRP 2 2HB TRP 2 5.874 1.028 7.733 11 HD1 TRP 2 HD TRP 2 5.214 -1.879 5.233 12 HE1 TRP 2 1HE TRP 2 5.703 -4.090 6.457 13 HE3 TRP 2 3HE TRP 2 6.382 -0.012 9.848 14 HZ2 TRP 2 2HZ TRP 2 6.481 -4.932 9.037 15 HZ3 TRP 2 3HZ TRP 2 6.987 -1.589 11.638 16 HH2 TRP 2 HH TRP 2 7.033 -3.997 11.240 17 H GLN 3 H GLN 3 2.599 2.148 8.223 18 HA GLN 3 HA GLN 3 2.066 4.315 8.663 19 HB3 GLN 3 2HB GLN 3 4.053 5.961 8.127 20 HG3 GLN 3 2HG GLN 3 3.734 3.975 10.260 21 HE21 GLN 3 1HE2 GLN 3 5.249 3.993 12.077 22 HE22 GLN 3 2HE2 GLN 3 6.944 3.985 11.742 23 H ARG 4 H ARG 4 1.579 3.172 5.960 24 HA ARG 4 HA ARG 4 1.774 5.489 4.211 25 HB3 ARG 4 2HB ARG 4 0.288 3.569 2.878 26 HG3 ARG 4 2HG ARG 4 3.258 3.388 2.790 27 HD3 ARG 4 2HD ARG 4 1.167 3.651 0.635 28 HE ARG 4 HE ARG 4 3.685 2.450 -0.013 29 HH11 ARG 4 1HH1 ARG 4 1.971 5.465 0.279 30 HH12 ARG 4 2HH1 ARG 4 2.991 6.304 -0.843 31 HH21 ARG 4 1HH2 ARG 4 5.036 3.542 -1.492 32 HH22 ARG 4 2HH2 ARG 4 4.734 5.208 -1.851 33 H ARG 5 H ARG 5 -0.567 3.810 6.155 34 HA ARG 5 HA ARG 5 -2.762 5.374 5.011 35 HB3 ARG 5 2HB ARG 5 -4.252 3.882 6.097 36 HG3 ARG 5 2HG ARG 5 -2.108 1.899 5.566 37 HD3 ARG 5 2HD ARG 5 -4.392 1.159 5.984 38 HE ARG 5 HE ARG 5 -5.976 2.619 5.183 39 HH11 ARG 5 1HH1 ARG 5 -3.796 1.733 2.617 40 HH12 ARG 5 2HH1 ARG 5 -4.756 2.461 1.373 41 HH21 ARG 5 1HH2 ARG 5 -7.249 3.582 3.554 42 HH22 ARG 5 2HH2 ARG 5 -6.720 3.514 1.907 43 H GLN 6 H GLN 6 -0.519 5.611 7.453 44 HA GLN 6 HA GLN 6 -1.929 6.527 9.663 45 HB3 GLN 6 2HB GLN 6 0.557 7.991 9.092 46 HG3 GLN 6 2HG GLN 6 -0.459 6.257 11.311 47 HE21 GLN 6 1HE2 GLN 6 2.011 8.642 11.629 48 HE22 GLN 6 2HE2 GLN 6 3.291 7.569 12.066 49 H ARG 7 H ARG 7 -1.187 8.118 6.650 50 HA ARG 7 HA ARG 7 -1.784 10.765 7.519 51 HB3 ARG 7 2HB ARG 7 -2.110 11.033 4.918 52 HG3 ARG 7 2HG ARG 7 0.327 10.747 6.521 53 HD3 ARG 7 2HD ARG 7 1.086 11.225 3.789 54 HE ARG 7 HE ARG 7 2.163 8.946 5.185 55 HH11 ARG 7 1HH1 ARG 7 2.232 12.407 4.827 56 HH12 ARG 7 2HH1 ARG 7 3.832 12.572 5.469 57 HH21 ARG 7 1HH2 ARG 7 4.271 9.150 6.031 58 HH22 ARG 7 2HH2 ARG 7 4.993 10.719 6.153 59 H ARG 8 H ARG 8 -3.683 8.065 6.533 60 HA ARG 8 HA ARG 8 -6.045 9.722 6.064 61 HB3 ARG 8 2HB ARG 8 -6.989 7.242 5.744 62 HG3 ARG 8 2HG ARG 8 -5.900 9.205 3.966 63 HD3 ARG 8 2HD ARG 8 -5.880 6.563 2.639 64 HE ARG 8 HE ARG 8 -3.828 8.456 2.027 65 HH11 ARG 8 1HH1 ARG 8 -7.198 7.706 1.573 66 HH12 ARG 8 2HH1 ARG 8 -7.326 8.584 0.084 67 HH21 ARG 8 1HH2 ARG 8 -3.985 9.615 0.068 68 HH22 ARG 8 2HH2 ARG 8 -5.499 9.668 -0.771 69 H GLY 9 H GLY 9 -4.714 7.431 8.358 70 HA2 GLY 9 2HA GLY 9 -5.459 7.857 10.696 71 HA3 GLY 9 3HA GLY 9 -7.096 7.857 10.058 72 H GLU 10 H GLU 10 -4.951 5.585 8.658 73 HA GLU 10 HA GLU 10 -6.160 3.446 10.287 74 HB3 GLU 10 2HB GLU 10 -5.507 2.134 8.032 75 HG3 GLU 10 2HG GLU 10 -8.026 3.722 7.918 76 H GLU 11 H GLU 11 -3.282 4.900 9.171 77 HA GLU 11 HA GLU 11 -1.102 4.519 9.735 78 HB3 GLU 11 2HB GLU 11 -1.585 1.948 11.110 79 HG3 GLU 11 2HG GLU 11 0.360 3.916 11.203 80 H ARG 12 H ARG 12 -2.609 1.310 9.313 81 HA ARG 12 HA ARG 12 -1.007 0.908 6.905 82 HB3 ARG 12 2HB ARG 12 -0.138 -1.216 7.623 83 HG3 ARG 12 2HG ARG 12 0.281 0.810 9.809 84 HD3 ARG 12 2HD ARG 12 0.996 -1.323 10.617 85 HE ARG 12 HE ARG 12 1.845 -1.850 7.924 86 HH11 ARG 12 1HH1 ARG 12 2.279 -2.690 11.274 87 HH12 ARG 12 2HH1 ARG 12 2.885 -4.277 10.933 88 HH21 ARG 12 1HH2 ARG 12 2.640 -3.937 7.462 89 HH22 ARG 12 2HH2 ARG 12 3.091 -4.985 8.764 90 H LYS 13 H LYS 13 -1.770 -0.827 5.562 91 HA LYS 13 HA LYS 13 -4.556 -0.953 5.341 92 HB3 LYS 13 2HB LYS 13 -2.514 -2.868 4.194 93 HG3 LYS 13 2HG LYS 13 -4.331 -2.712 2.278 94 HD3 LYS 13 2HD LYS 13 -4.992 -4.525 4.564 95 HE3 LYS 13 2HE LYS 13 -4.739 -4.851 1.577 96 HZ1 LYS 13 3HZ LYS 13 -4.060 -6.843 2.944 97 HZ2 LYS 13 1HZ LYS 13 -5.314 -7.094 1.836 98 HZ3 LYS 13 2HZ LYS 13 -5.663 -6.920 3.481 99 H ALA 14 H ALA 14 -5.935 -1.936 6.652 100 HA ALA 14 HA ALA 14 -5.330 -4.653 7.569 101 HB1 ALA 14 1HB ALA 14 -6.718 -3.304 9.662 102 HB2 ALA 14 2HB ALA 14 -5.138 -4.087 9.704 103 HB3 ALA 14 3HB ALA 14 -5.268 -2.387 9.253 104 HA PRO 15 HA PRO 15 -9.505 -5.582 6.589 105 HB3 PRO 15 2HB PRO 15 -9.084 -7.740 7.253 106 HG3 PRO 15 2HG PRO 15 -7.741 -8.188 9.098 107 HD3 PRO 15 2HD PRO 15 -6.376 -6.721 7.960 Start of MODEL 19 1 H1 MET 1 H MET 1 3.579 -0.166 1.228 2 HA MET 1 HA MET 1 1.863 -0.277 2.715 3 HB3 MET 1 2HB MET 1 1.562 -2.541 2.098 4 HG3 MET 1 2HG MET 1 3.984 -3.141 3.762 5 HE1 MET 1 3HE MET 1 4.831 -5.411 4.275 6 HE2 MET 1 1HE MET 1 3.661 -5.045 5.543 7 HE3 MET 1 2HE MET 1 3.705 -6.654 4.823 8 H TRP 2 H TRP 2 3.507 1.317 3.771 9 HA TRP 2 HA TRP 2 3.562 0.649 6.590 10 HB3 TRP 2 2HB TRP 2 6.126 1.750 5.536 11 HD1 TRP 2 HD TRP 2 4.640 1.836 8.485 12 HE1 TRP 2 1HE TRP 2 5.975 0.939 10.496 13 HE3 TRP 2 3HE TRP 2 8.047 -1.038 5.981 14 HZ2 TRP 2 2HZ TRP 2 8.180 -0.760 10.959 15 HZ3 TRP 2 3HZ TRP 2 9.737 -2.266 7.282 16 HH2 TRP 2 HH TRP 2 9.801 -2.129 9.719 17 H GLN 3 H GLN 3 2.738 2.338 7.615 18 HA GLN 3 HA GLN 3 2.139 4.462 8.164 19 HB3 GLN 3 2HB GLN 3 3.756 6.233 7.815 20 HG3 GLN 3 2HG GLN 3 5.449 3.793 8.176 21 HE21 GLN 3 1HE2 GLN 3 7.390 4.718 8.098 22 HE22 GLN 3 2HE2 GLN 3 7.878 6.093 9.022 23 H ARG 4 H ARG 4 1.313 3.221 5.572 24 HA ARG 4 HA ARG 4 0.952 5.526 3.832 25 HB3 ARG 4 2HB ARG 4 -0.462 3.601 2.606 26 HG3 ARG 4 2HG ARG 4 2.461 3.175 2.424 27 HD3 ARG 4 2HD ARG 4 0.591 3.999 0.241 28 HE ARG 4 HE ARG 4 3.196 3.222 0.170 29 HH11 ARG 4 1HH1 ARG 4 0.227 1.918 -1.099 30 HH12 ARG 4 2HH1 ARG 4 0.984 1.182 -2.472 31 HH21 ARG 4 1HH2 ARG 4 4.205 2.255 -1.634 32 HH22 ARG 4 2HH2 ARG 4 3.248 1.373 -2.775 33 H ARG 5 H ARG 5 -0.761 3.765 6.244 34 HA ARG 5 HA ARG 5 -3.257 5.157 5.531 35 HB3 ARG 5 2HB ARG 5 -4.177 3.374 7.247 36 HG3 ARG 5 2HG ARG 5 -4.755 3.473 4.832 37 HD3 ARG 5 2HD ARG 5 -2.538 3.199 3.876 38 HE ARG 5 HE ARG 5 -2.187 1.078 5.610 39 HH11 ARG 5 1HH1 ARG 5 -1.794 1.686 2.204 40 HH12 ARG 5 2HH1 ARG 5 -0.501 0.548 2.018 41 HH21 ARG 5 1HH2 ARG 5 -0.486 -0.424 5.377 42 HH22 ARG 5 2HH2 ARG 5 0.241 -0.652 3.822 43 H GLN 6 H GLN 6 -0.684 5.221 7.643 44 HA GLN 6 HA GLN 6 -1.823 5.771 10.126 45 HB3 GLN 6 2HB GLN 6 0.575 5.398 9.813 46 HG3 GLN 6 2HG GLN 6 0.552 7.030 7.715 47 HE21 GLN 6 1HE2 GLN 6 2.609 8.791 7.654 48 HE22 GLN 6 2HE2 GLN 6 2.183 10.241 8.492 49 H ARG 7 H ARG 7 -1.314 7.843 7.332 50 HA ARG 7 HA ARG 7 -1.885 10.304 8.587 51 HB3 ARG 7 2HB ARG 7 -2.560 10.912 6.122 52 HG3 ARG 7 2HG ARG 7 0.121 10.313 7.222 53 HD3 ARG 7 2HD ARG 7 0.027 11.376 4.458 54 HE ARG 7 HE ARG 7 2.037 9.479 5.271 55 HH11 ARG 7 1HH1 ARG 7 1.061 12.821 5.261 56 HH12 ARG 7 2HH1 ARG 7 2.671 13.428 5.453 57 HH21 ARG 7 1HH2 ARG 7 4.164 10.267 5.524 58 HH22 ARG 7 2HH2 ARG 7 4.436 11.974 5.602 59 H ARG 8 H ARG 8 -3.885 7.689 7.650 60 HA ARG 8 HA ARG 8 -6.302 9.333 7.631 61 HB3 ARG 8 2HB ARG 8 -7.304 6.916 7.242 62 HG3 ARG 8 2HG ARG 8 -6.182 8.876 5.424 63 HD3 ARG 8 2HD ARG 8 -6.582 6.105 4.326 64 HE ARG 8 HE ARG 8 -6.104 8.638 3.096 65 HH11 ARG 8 1HH1 ARG 8 -5.504 5.220 2.831 66 HH12 ARG 8 2HH1 ARG 8 -5.299 5.257 1.110 67 HH21 ARG 8 1HH2 ARG 8 -5.838 8.700 0.831 68 HH22 ARG 8 2HH2 ARG 8 -5.489 7.237 -0.025 69 H GLY 9 H GLY 9 -4.679 6.861 9.529 70 HA2 GLY 9 2HA GLY 9 -5.070 7.125 11.981 71 HA3 GLY 9 3HA GLY 9 -6.783 7.164 11.584 72 H GLU 10 H GLU 10 -4.950 5.010 9.687 73 HA GLU 10 HA GLU 10 -5.851 2.753 11.355 74 HB3 GLU 10 2HB GLU 10 -5.767 1.556 9.005 75 HG3 GLU 10 2HG GLU 10 -8.062 3.437 9.402 76 H GLU 11 H GLU 11 -3.247 4.258 9.702 77 HA GLU 11 HA GLU 11 -1.002 3.840 9.760 78 HB3 GLU 11 2HB GLU 11 -1.389 1.259 11.216 79 HG3 GLU 11 2HG GLU 11 0.586 3.515 11.416 80 H ARG 12 H ARG 12 -2.579 0.640 9.631 81 HA ARG 12 HA ARG 12 -1.237 0.198 7.044 82 HB3 ARG 12 2HB ARG 12 -1.546 -2.319 7.860 83 HG3 ARG 12 2HG ARG 12 0.617 -0.866 7.447 84 HD3 ARG 12 2HD ARG 12 0.319 -1.012 10.410 85 HE ARG 12 HE ARG 12 2.776 -1.664 9.057 86 HH11 ARG 12 1HH1 ARG 12 1.341 -0.264 11.902 87 HH12 ARG 12 2HH1 ARG 12 2.733 -0.537 12.897 88 HH21 ARG 12 1HH2 ARG 12 4.615 -2.028 10.356 89 HH22 ARG 12 2HH2 ARG 12 4.595 -1.540 12.017 90 H LYS 13 H LYS 13 -2.352 -1.175 5.540 91 HA LYS 13 HA LYS 13 -5.080 -0.585 5.274 92 HB3 LYS 13 2HB LYS 13 -3.820 -2.960 3.939 93 HG3 LYS 13 2HG LYS 13 -5.771 -0.847 3.069 94 HD3 LYS 13 2HD LYS 13 -4.707 -3.052 1.326 95 HE3 LYS 13 2HE LYS 13 -5.502 -1.270 -0.396 96 HZ1 LYS 13 3HZ LYS 13 -7.092 -2.759 -0.699 97 HZ2 LYS 13 1HZ LYS 13 -7.934 -2.212 0.663 98 HZ3 LYS 13 2HZ LYS 13 -6.768 -3.428 0.820 99 H ALA 14 H ALA 14 -6.783 -1.400 6.283 100 HA ALA 14 HA ALA 14 -6.776 -4.225 7.064 101 HB1 ALA 14 1HB ALA 14 -6.524 -2.075 8.892 102 HB2 ALA 14 2HB ALA 14 -8.130 -2.776 9.100 103 HB3 ALA 14 3HB ALA 14 -6.698 -3.797 9.238 104 HA PRO 15 HA PRO 15 -10.910 -4.322 5.599 105 HB3 PRO 15 2HB PRO 15 -10.946 -6.556 6.132 106 HG3 PRO 15 2HG PRO 15 -9.915 -7.346 8.061 107 HD3 PRO 15 2HD PRO 15 -8.198 -6.086 7.180 Start of MODEL 20 1 H1 MET 1 H MET 1 5.870 0.842 2.456 2 HA MET 1 HA MET 1 3.196 -0.278 2.161 3 HB3 MET 1 2HB MET 1 4.301 -2.193 3.505 4 HG3 MET 1 2HG MET 1 5.359 -1.494 0.777 5 HE1 MET 1 3HE MET 1 7.577 -4.214 -0.075 6 HE2 MET 1 1HE MET 1 6.001 -4.039 -0.849 7 HE3 MET 1 2HE MET 1 6.899 -2.607 -0.342 8 H TRP 2 H TRP 2 5.458 0.394 4.838 9 HA TRP 2 HA TRP 2 3.302 0.223 6.766 10 HB3 TRP 2 2HB TRP 2 5.054 0.613 8.440 11 HD1 TRP 2 HD TRP 2 3.752 -1.996 6.962 12 HE1 TRP 2 1HE TRP 2 5.095 -4.191 7.005 13 HE3 TRP 2 3HE TRP 2 8.400 -0.085 7.898 14 HZ2 TRP 2 2HZ TRP 2 7.771 -5.005 7.386 15 HZ3 TRP 2 3HZ TRP 2 10.298 -1.639 8.088 16 HH2 TRP 2 HH TRP 2 9.988 -4.048 7.838 17 H GLN 3 H GLN 3 2.604 1.916 8.103 18 HA GLN 3 HA GLN 3 1.905 4.033 8.555 19 HB3 GLN 3 2HB GLN 3 3.569 5.815 8.471 20 HG3 GLN 3 2HG GLN 3 5.126 3.365 9.200 21 HE21 GLN 3 1HE2 GLN 3 6.553 5.393 8.530 22 HE22 GLN 3 2HE2 GLN 3 7.064 6.349 9.876 23 H ARG 4 H ARG 4 1.223 2.899 6.012 24 HA ARG 4 HA ARG 4 1.371 5.099 4.115 25 HB3 ARG 4 2HB ARG 4 -0.246 3.253 2.934 26 HG3 ARG 4 2HG ARG 4 2.633 2.587 2.853 27 HD3 ARG 4 2HD ARG 4 0.404 3.038 0.897 28 HE ARG 4 HE ARG 4 2.924 3.778 0.234 29 HH11 ARG 4 1HH1 ARG 4 0.865 1.137 -0.713 30 HH12 ARG 4 2HH1 ARG 4 1.547 1.003 -2.300 31 HH21 ARG 4 1HH2 ARG 4 3.831 3.613 -1.852 32 HH22 ARG 4 2HH2 ARG 4 3.234 2.411 -2.947 33 H ARG 5 H ARG 5 -0.934 3.542 6.236 34 HA ARG 5 HA ARG 5 -3.091 5.248 5.232 35 HB3 ARG 5 2HB ARG 5 -4.327 3.786 7.094 36 HG3 ARG 5 2HG ARG 5 -3.622 2.284 4.620 37 HD3 ARG 5 2HD ARG 5 -5.477 1.886 6.542 38 HE ARG 5 HE ARG 5 -7.110 3.460 6.176 39 HH11 ARG 5 1HH1 ARG 5 -6.075 2.119 3.134 40 HH12 ARG 5 2HH1 ARG 5 -7.348 2.863 2.224 41 HH21 ARG 5 1HH2 ARG 5 -8.792 4.443 4.990 42 HH22 ARG 5 2HH2 ARG 5 -8.892 4.185 3.281 43 H GLN 6 H GLN 6 -0.716 5.319 7.545 44 HA GLN 6 HA GLN 6 -1.971 6.266 9.843 45 HB3 GLN 6 2HB GLN 6 0.493 7.669 9.471 46 HG3 GLN 6 2HG GLN 6 0.095 5.107 10.985 47 HE21 GLN 6 1HE2 GLN 6 2.094 4.488 11.423 48 HE22 GLN 6 2HE2 GLN 6 3.361 5.506 12.007 49 H ARG 7 H ARG 7 -1.372 7.820 6.805 50 HA ARG 7 HA ARG 7 -1.733 10.500 7.766 51 HB3 ARG 7 2HB ARG 7 -2.096 10.852 5.180 52 HG3 ARG 7 2HG ARG 7 0.376 10.335 6.696 53 HD3 ARG 7 2HD ARG 7 0.931 10.968 3.909 54 HE ARG 7 HE ARG 7 2.227 8.732 5.187 55 HH11 ARG 7 1HH1 ARG 7 2.113 12.196 4.855 56 HH12 ARG 7 2HH1 ARG 7 3.755 12.429 5.353 57 HH21 ARG 7 1HH2 ARG 7 4.390 9.027 5.846 58 HH22 ARG 7 2HH2 ARG 7 5.051 10.625 5.917 59 H ARG 8 H ARG 8 -3.806 7.924 6.895 60 HA ARG 8 HA ARG 8 -6.076 9.695 6.400 61 HB3 ARG 8 2HB ARG 8 -7.138 7.213 6.272 62 HG3 ARG 8 2HG ARG 8 -6.063 9.064 4.327 63 HD3 ARG 8 2HD ARG 8 -6.407 6.285 3.287 64 HE ARG 8 HE ARG 8 -5.911 8.674 2.036 65 HH11 ARG 8 1HH1 ARG 8 -4.306 5.593 2.268 66 HH12 ARG 8 2HH1 ARG 8 -3.580 5.706 0.698 67 HH21 ARG 8 1HH2 ARG 8 -4.962 8.834 -0.032 68 HH22 ARG 8 2HH2 ARG 8 -3.954 7.550 -0.609 69 H GLY 9 H GLY 9 -4.857 7.396 8.760 70 HA2 GLY 9 2HA GLY 9 -5.492 7.980 11.098 71 HA3 GLY 9 3HA GLY 9 -7.142 8.086 10.502 72 H GLU 10 H GLU 10 -5.303 5.593 9.092 73 HA GLU 10 HA GLU 10 -6.533 3.628 10.912 74 HB3 GLU 10 2HB GLU 10 -6.509 2.113 8.841 75 HG3 GLU 10 2HG GLU 10 -8.328 4.503 8.673 76 H GLU 11 H GLU 11 -3.672 4.875 9.719 77 HA GLU 11 HA GLU 11 -1.496 4.295 10.096 78 HB3 GLU 11 2HB GLU 11 -0.938 2.633 11.666 79 HG3 GLU 11 2HG GLU 11 -2.310 2.967 13.532 80 H ARG 12 H ARG 12 -3.237 1.235 9.502 81 HA ARG 12 HA ARG 12 -1.821 0.955 6.964 82 HB3 ARG 12 2HB ARG 12 -1.446 -1.525 7.640 83 HG3 ARG 12 2HG ARG 12 0.292 0.451 7.477 84 HD3 ARG 12 2HD ARG 12 -0.166 0.074 10.365 85 HE ARG 12 HE ARG 12 2.554 0.765 9.980 86 HH11 ARG 12 1HH1 ARG 12 0.409 -1.973 10.139 87 HH12 ARG 12 2HH1 ARG 12 1.637 -3.068 10.684 88 HH21 ARG 12 1HH2 ARG 12 4.178 -0.667 10.697 89 HH22 ARG 12 2HH2 ARG 12 3.779 -2.324 11.001 90 H LYS 13 H LYS 13 -2.780 -0.595 5.531 91 HA LYS 13 HA LYS 13 -5.580 -0.546 5.508 92 HB3 LYS 13 2HB LYS 13 -4.276 -0.801 3.467 93 HG3 LYS 13 2HG LYS 13 -3.761 -3.677 3.993 94 HD3 LYS 13 2HD LYS 13 -2.732 -1.510 2.222 95 HE3 LYS 13 2HE LYS 13 -0.755 -2.488 3.404 96 HZ1 LYS 13 3HZ LYS 13 -1.711 -4.972 2.094 97 HZ2 LYS 13 1HZ LYS 13 -1.459 -4.720 3.748 98 HZ3 LYS 13 2HZ LYS 13 -0.141 -4.765 2.688 99 H ALA 14 H ALA 14 -7.034 -1.708 6.572 100 HA ALA 14 HA ALA 14 -6.451 -4.478 7.286 101 HB1 ALA 14 1HB ALA 14 -6.642 -2.268 9.199 102 HB2 ALA 14 2HB ALA 14 -7.654 -3.659 9.585 103 HB3 ALA 14 3HB ALA 14 -5.916 -3.865 9.375 104 HA PRO 15 HA PRO 15 -10.674 -5.202 6.337 105 HB3 PRO 15 2HB PRO 15 -10.291 -7.427 6.768 106 HG3 PRO 15 2HG PRO 15 -8.909 -8.089 8.517 107 HD3 PRO 15 2HD PRO 15 -7.538 -6.547 7.491
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