NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
585573 | 2mih | 19679 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 HT1 HIS 1 -1.677 -3.314 -4.104 2 H2 HIS 1 HT2 HIS 1 -0.440 -4.462 -4.180 3 H3 HIS 1 HT3 HIS 1 -0.777 -3.498 -5.526 4 HA HIS 1 HA HIS 1 0.194 -2.511 -2.932 5 HB2 HIS 1 HB2 HIS 1 1.639 -3.216 -5.457 6 HB3 HIS 1 HB1 HIS 1 2.239 -1.901 -4.457 7 HD1 HIS 1 HD1 HIS 1 3.623 -2.520 -2.458 8 HD2 HIS 1 HD2 HIS 1 1.673 -5.794 -4.118 9 HE1 HIS 1 HE1 HIS 1 4.480 -4.518 -1.191 10 HE2 HIS 1 HE2 HIS 1 3.449 -6.499 -2.372 11 H GLN 2 HN GLN 2 -1.399 -0.886 -2.916 12 HA GLN 2 HA GLN 2 -1.822 0.779 -5.199 13 HB2 GLN 2 HB2 GLN 2 -2.681 1.398 -2.382 14 HB3 GLN 2 HB1 GLN 2 -3.397 1.982 -3.877 15 HG2 GLN 2 HG2 GLN 2 -3.492 -0.807 -2.765 16 HG3 GLN 2 HG1 GLN 2 -4.829 0.324 -2.955 17 HE21 GLN 2 HE21 GLN 2 -4.387 -2.403 -3.967 18 HE22 GLN 2 HE22 GLN 2 -4.596 -2.295 -5.685 19 H VAL 3 HN VAL 3 -1.203 2.218 -2.020 20 HA VAL 3 HA VAL 3 0.874 3.875 -3.292 21 HB VAL 3 HB VAL 3 -1.115 4.880 -1.252 22 HG11 VAL 3 HG11 VAL 3 0.983 6.098 -1.260 23 HG12 VAL 3 HG12 VAL 3 -0.304 7.095 -1.937 24 HG13 VAL 3 HG13 VAL 3 0.868 6.324 -3.005 25 HG21 VAL 3 HG21 VAL 3 -2.212 6.059 -3.088 26 HG22 VAL 3 HG22 VAL 3 -2.276 4.313 -3.323 27 HG23 VAL 3 HG23 VAL 3 -1.125 5.284 -4.241 28 HA PRO 4 HA PRO 4 2.699 2.343 0.671 29 HB2 PRO 4 HB2 PRO 4 4.597 0.833 -0.904 30 HB3 PRO 4 HB1 PRO 4 3.375 0.226 0.217 31 HG2 PRO 4 HG2 PRO 4 3.200 -0.228 -2.436 32 HG3 PRO 4 HG1 PRO 4 1.768 0.042 -1.417 33 HD2 PRO 4 HD2 PRO 4 3.265 2.075 -3.075 34 HD3 PRO 4 HD1 PRO 4 1.529 1.663 -3.133 35 H SER 5 HN SER 5 5.051 2.254 1.251 36 HA SER 5 HA SER 5 6.871 3.742 -0.471 37 HB2 SER 5 HB2 SER 5 7.764 4.880 1.630 38 HB3 SER 5 HB1 SER 5 6.193 5.454 1.072 39 HG SER 5 HG SER 5 6.872 4.080 3.374 40 H GLY 6 HN GLY 6 6.479 1.006 -0.076 41 HA2 GLY 6 HA2 GLY 6 8.966 -0.033 0.602 42 HA3 GLY 6 HA1 GLY 6 7.950 -0.144 2.036 43 HA PRO 7 HA PRO 7 7.119 -3.877 -0.521 44 HB2 PRO 7 HB2 PRO 7 7.327 -5.725 1.397 45 HB3 PRO 7 HB1 PRO 7 8.760 -4.961 0.698 46 HG2 PRO 7 HG2 PRO 7 7.392 -4.403 3.297 47 HG3 PRO 7 HG1 PRO 7 9.126 -4.482 2.939 48 HD2 PRO 7 HD2 PRO 7 7.656 -2.145 3.129 49 HD3 PRO 7 HD1 PRO 7 9.195 -2.304 2.261 50 H ASN 8 HN ASN 8 5.218 -2.177 1.513 51 HA ASN 8 HA ASN 8 2.941 -3.749 0.766 52 HB2 ASN 8 HB2 ASN 8 2.071 -4.110 3.011 53 HB3 ASN 8 HB1 ASN 8 3.645 -4.875 2.836 54 HD21 ASN 8 HD21 ASN 8 1.802 -2.471 4.470 55 HD22 ASN 8 HD22 ASN 8 3.028 -1.982 5.590 56 HA PRO 9 HA PRO 9 1.441 0.389 0.398 57 HB2 PRO 9 HB2 PRO 9 -1.229 -0.892 0.653 58 HB3 PRO 9 HB1 PRO 9 -0.604 0.168 -0.617 59 HG2 PRO 9 HG2 PRO 9 -0.821 -2.403 -1.120 60 HG3 PRO 9 HG1 PRO 9 0.653 -1.534 -1.590 61 HD2 PRO 9 HD2 PRO 9 0.202 -3.273 0.821 62 HD3 PRO 9 HD1 PRO 9 1.536 -3.317 -0.357 63 H LEU 10 HN LEU 10 1.517 1.774 1.951 64 HA LEU 10 HA LEU 10 0.644 1.030 4.596 65 HB2 LEU 10 HB2 LEU 10 1.993 3.521 3.570 66 HB3 LEU 10 HB1 LEU 10 1.493 3.331 5.236 67 HG LEU 10 HG LEU 10 3.771 2.851 5.257 68 HD11 LEU 10 HD11 LEU 10 2.435 0.170 4.990 69 HD12 LEU 10 HD12 LEU 10 2.453 1.172 6.439 70 HD13 LEU 10 HD13 LEU 10 3.959 0.508 5.809 71 HD21 LEU 10 HD21 LEU 10 4.142 2.733 2.868 72 HD22 LEU 10 HD22 LEU 10 3.376 1.146 2.808 73 HD23 LEU 10 HD23 LEU 10 4.895 1.362 3.680 74 H HIS 11 HN HIS 11 -0.968 1.993 2.073 75 HA HIS 11 HA HIS 11 -3.155 3.151 3.517 76 HB2 HIS 11 HB2 HIS 11 -1.569 5.103 3.026 77 HB3 HIS 11 HB1 HIS 11 -1.908 4.831 1.322 78 HD1 HIS 11 HD1 HIS 11 -3.478 6.091 4.483 79 HD2 HIS 11 HD2 HIS 11 -4.366 5.804 0.434 80 HE1 HIS 11 HE1 HIS 11 -5.512 7.528 4.131 81 HE2 HIS 11 HE2 HIS 11 -5.912 7.486 1.646 82 H ASN 12 HN ASN 12 -5.056 3.303 2.186 83 HA ASN 12 HA ASN 12 -6.529 2.503 0.664 84 HB2 ASN 12 HB2 ASN 12 -4.126 2.046 -1.119 85 HB3 ASN 12 HB1 ASN 12 -5.808 1.978 -1.626 86 HD21 ASN 12 HD21 ASN 12 -6.997 3.907 -1.744 87 HD22 ASN 12 HD22 ASN 12 -6.207 5.443 -1.851 88 H LYS 13 HN LYS 13 -4.885 0.892 2.576 89 HA LYS 13 HA LYS 13 -5.019 -1.207 3.411 90 HB2 LYS 13 HB2 LYS 13 -7.315 -1.299 2.546 91 HB3 LYS 13 HB1 LYS 13 -6.710 -1.856 0.992 92 HG2 LYS 13 HG2 LYS 13 -5.792 -3.862 2.127 93 HG3 LYS 13 HG1 LYS 13 -6.548 -3.314 3.621 94 HD2 LYS 13 HD2 LYS 13 -8.020 -3.897 1.059 95 HD3 LYS 13 HD1 LYS 13 -7.882 -5.007 2.421 96 HE2 LYS 13 HE2 LYS 13 -9.026 -3.398 3.857 97 HE3 LYS 13 HE1 LYS 13 -9.144 -2.269 2.509 98 HZ1 LYS 13 HZ1 LYS 13 -11.202 -3.509 2.850 99 HZ2 LYS 13 HZ2 LYS 13 -10.386 -4.964 2.592 100 HZ3 LYS 13 HZ3 LYS 13 -10.529 -3.842 1.334 101 H LYS 14 HN LYS 14 -5.039 -2.081 -0.057 102 HA LYS 14 HA LYS 14 -2.258 -2.748 -0.014 103 HB2 LYS 14 HB2 LYS 14 -2.489 -5.153 -0.364 104 HB3 LYS 14 HB1 LYS 14 -3.132 -4.680 1.201 105 HG2 LYS 14 HG2 LYS 14 -5.390 -4.839 0.363 106 HG3 LYS 14 HG1 LYS 14 -4.792 -5.207 -1.254 107 HD2 LYS 14 HD2 LYS 14 -3.691 -7.231 -0.303 108 HD3 LYS 14 HD1 LYS 14 -4.485 -6.874 1.231 109 HE2 LYS 14 HE2 LYS 14 -5.757 -8.530 0.009 110 HE3 LYS 14 HE1 LYS 14 -6.670 -7.026 0.117 111 HZ1 LYS 14 HZ1 LYS 14 -5.967 -6.491 -2.141 112 HZ2 LYS 14 HZ2 LYS 14 -6.795 -7.962 -2.099 113 HZ3 LYS 14 HZ3 LYS 14 -5.112 -7.943 -2.238 Start of MODEL 2 1 H1 HIS 1 HT1 HIS 1 1.963 -3.371 -6.377 2 H2 HIS 1 HT2 HIS 1 2.740 -4.060 -5.048 3 H3 HIS 1 HT3 HIS 1 3.135 -2.488 -5.538 4 HA HIS 1 HA HIS 1 0.540 -3.387 -4.416 5 HB2 HIS 1 HB2 HIS 1 2.426 -1.318 -3.287 6 HB3 HIS 1 HB1 HIS 1 1.050 -2.065 -2.499 7 HD1 HIS 1 HD1 HIS 1 1.538 -4.038 -1.035 8 HD2 HIS 1 HD2 HIS 1 4.702 -3.124 -3.565 9 HE1 HIS 1 HE1 HIS 1 3.517 -5.307 -0.133 10 HE2 HIS 1 HE2 HIS 1 5.431 -4.677 -1.632 11 H GLN 2 HN GLN 2 -0.589 -1.109 -3.677 12 HA GLN 2 HA GLN 2 -1.116 0.283 -6.092 13 HB2 GLN 2 HB2 GLN 2 -2.804 0.011 -4.313 14 HB3 GLN 2 HB1 GLN 2 -1.873 1.081 -3.281 15 HG2 GLN 2 HG2 GLN 2 -3.702 2.294 -4.239 16 HG3 GLN 2 HG1 GLN 2 -2.191 2.895 -4.916 17 HE21 GLN 2 HE21 GLN 2 -1.722 2.495 -7.093 18 HE22 GLN 2 HE22 GLN 2 -2.933 1.964 -8.205 19 H VAL 3 HN VAL 3 -0.465 2.266 -3.239 20 HA VAL 3 HA VAL 3 1.985 3.268 -4.483 21 HB VAL 3 HB VAL 3 -0.212 5.134 -3.555 22 HG11 VAL 3 HG11 VAL 3 1.211 6.904 -4.465 23 HG12 VAL 3 HG12 VAL 3 2.444 5.709 -4.867 24 HG13 VAL 3 HG13 VAL 3 2.032 6.018 -3.181 25 HG21 VAL 3 HG21 VAL 3 -0.409 5.788 -5.913 26 HG22 VAL 3 HG22 VAL 3 -0.821 4.092 -5.672 27 HG23 VAL 3 HG23 VAL 3 0.744 4.530 -6.354 28 HA PRO 4 HA PRO 4 2.680 3.207 0.049 29 HB2 PRO 4 HB2 PRO 4 4.352 1.002 0.021 30 HB3 PRO 4 HB1 PRO 4 2.634 0.963 0.411 31 HG2 PRO 4 HG2 PRO 4 3.922 -0.210 -1.832 32 HG3 PRO 4 HG1 PRO 4 2.185 -0.130 -1.501 33 HD2 PRO 4 HD2 PRO 4 3.860 1.593 -3.254 34 HD3 PRO 4 HD1 PRO 4 2.142 1.156 -3.401 35 H SER 5 HN SER 5 5.009 2.783 1.073 36 HA SER 5 HA SER 5 7.074 3.815 -0.751 37 HB2 SER 5 HB2 SER 5 6.851 4.346 2.225 38 HB3 SER 5 HB1 SER 5 8.062 5.012 1.128 39 HG SER 5 HG SER 5 5.344 5.419 0.558 40 H GLY 6 HN GLY 6 6.274 1.101 -0.181 41 HA2 GLY 6 HA2 GLY 6 8.601 -0.292 0.073 42 HA3 GLY 6 HA1 GLY 6 8.060 -0.065 1.728 43 HA PRO 7 HA PRO 7 5.720 -3.880 1.066 44 HB2 PRO 7 HB2 PRO 7 4.585 -3.048 3.678 45 HB3 PRO 7 HB1 PRO 7 5.366 -4.565 3.223 46 HG2 PRO 7 HG2 PRO 7 6.615 -2.813 4.782 47 HG3 PRO 7 HG1 PRO 7 7.501 -3.707 3.531 48 HD2 PRO 7 HD2 PRO 7 6.496 -0.883 3.486 49 HD3 PRO 7 HD1 PRO 7 8.056 -1.531 2.935 50 H ASN 8 HN ASN 8 3.201 -3.479 2.859 51 HA ASN 8 HA ASN 8 1.438 -3.299 0.724 52 HB2 ASN 8 HB2 ASN 8 -0.325 -3.384 2.327 53 HB3 ASN 8 HB1 ASN 8 1.001 -4.356 2.949 54 HD21 ASN 8 HD21 ASN 8 2.482 -1.873 3.771 55 HD22 ASN 8 HD22 ASN 8 1.686 -1.357 5.216 56 HA PRO 9 HA PRO 9 0.840 0.836 -0.418 57 HB2 PRO 9 HB2 PRO 9 -2.088 0.566 -0.139 58 HB3 PRO 9 HB1 PRO 9 -1.119 0.939 -1.563 59 HG2 PRO 9 HG2 PRO 9 -2.268 -1.447 -1.270 60 HG3 PRO 9 HG1 PRO 9 -0.662 -1.283 -1.999 61 HD2 PRO 9 HD2 PRO 9 -1.410 -2.151 0.763 62 HD3 PRO 9 HD1 PRO 9 -0.156 -2.790 -0.320 63 H LEU 10 HN LEU 10 1.681 1.305 1.812 64 HA LEU 10 HA LEU 10 1.743 2.531 3.700 65 HB2 LEU 10 HB2 LEU 10 1.254 4.231 1.904 66 HB3 LEU 10 HB1 LEU 10 -0.429 4.156 2.379 67 HG LEU 10 HG LEU 10 0.278 4.892 4.677 68 HD11 LEU 10 HD11 LEU 10 2.889 5.405 3.266 69 HD12 LEU 10 HD12 LEU 10 2.612 4.246 4.565 70 HD13 LEU 10 HD13 LEU 10 2.464 5.974 4.879 71 HD21 LEU 10 HD21 LEU 10 0.525 7.234 4.041 72 HD22 LEU 10 HD22 LEU 10 -0.705 6.434 3.063 73 HD23 LEU 10 HD23 LEU 10 0.892 6.750 2.386 74 H HIS 11 HN HIS 11 -0.275 0.360 3.481 75 HA HIS 11 HA HIS 11 -2.011 -0.588 4.557 76 HB2 HIS 11 HB2 HIS 11 -0.243 -0.245 6.372 77 HB3 HIS 11 HB1 HIS 11 -1.234 1.098 6.932 78 HD1 HIS 11 HD1 HIS 11 -1.521 -2.643 6.338 79 HD2 HIS 11 HD2 HIS 11 -3.244 0.367 8.634 80 HE1 HIS 11 HE1 HIS 11 -3.096 -3.808 7.918 81 HE2 HIS 11 HE2 HIS 11 -4.016 -1.984 9.386 82 H ASN 12 HN ASN 12 -2.633 1.910 3.147 83 HA ASN 12 HA ASN 12 -5.186 2.350 4.561 84 HB2 ASN 12 HB2 ASN 12 -5.498 4.383 3.251 85 HB3 ASN 12 HB1 ASN 12 -3.961 4.460 4.101 86 HD21 ASN 12 HD21 ASN 12 -2.080 4.488 2.950 87 HD22 ASN 12 HD22 ASN 12 -2.018 4.672 1.232 88 H LYS 13 HN LYS 13 -3.721 0.545 2.375 89 HA LYS 13 HA LYS 13 -6.132 -0.321 1.076 90 HB2 LYS 13 HB2 LYS 13 -3.977 1.121 -0.460 91 HB3 LYS 13 HB1 LYS 13 -4.946 -0.122 -1.231 92 HG2 LYS 13 HG2 LYS 13 -6.079 2.334 0.084 93 HG3 LYS 13 HG1 LYS 13 -5.737 2.190 -1.641 94 HD2 LYS 13 HD2 LYS 13 -7.312 0.350 -1.816 95 HD3 LYS 13 HD1 LYS 13 -7.603 0.417 -0.077 96 HE2 LYS 13 HE2 LYS 13 -8.524 2.648 -0.290 97 HE3 LYS 13 HE1 LYS 13 -8.173 2.651 -2.017 98 HZ1 LYS 13 HZ1 LYS 13 -10.019 0.751 -0.673 99 HZ2 LYS 13 HZ2 LYS 13 -9.737 0.872 -2.338 100 HZ3 LYS 13 HZ3 LYS 13 -10.504 2.135 -1.518 101 H LYS 14 HN LYS 14 -5.533 -2.190 -0.458 102 HA LYS 14 HA LYS 14 -2.926 -3.294 -0.323 103 HB2 LYS 14 HB2 LYS 14 -3.547 -5.412 0.854 104 HB3 LYS 14 HB1 LYS 14 -3.484 -4.000 1.892 105 HG2 LYS 14 HG2 LYS 14 -5.931 -3.852 1.824 106 HG3 LYS 14 HG1 LYS 14 -5.976 -5.289 0.799 107 HD2 LYS 14 HD2 LYS 14 -4.962 -6.612 2.551 108 HD3 LYS 14 HD1 LYS 14 -4.804 -5.185 3.576 109 HE2 LYS 14 HE2 LYS 14 -7.398 -6.377 2.601 110 HE3 LYS 14 HE1 LYS 14 -6.721 -6.576 4.216 111 HZ1 LYS 14 HZ1 LYS 14 -7.547 -3.999 2.994 112 HZ2 LYS 14 HZ2 LYS 14 -6.899 -4.188 4.543 113 HZ3 LYS 14 HZ3 LYS 14 -8.407 -4.851 4.173 Start of MODEL 3 1 H1 HIS 1 HT1 HIS 1 -0.086 -3.803 -4.795 2 H2 HIS 1 HT2 HIS 1 1.347 -4.574 -4.342 3 H3 HIS 1 HT3 HIS 1 1.268 -3.729 -5.805 4 HA HIS 1 HA HIS 1 1.075 -2.546 -3.098 5 HB2 HIS 1 HB2 HIS 1 3.264 -2.489 -5.183 6 HB3 HIS 1 HB1 HIS 1 3.205 -1.391 -3.811 7 HD1 HIS 1 HD1 HIS 1 3.741 -2.374 -1.474 8 HD2 HIS 1 HD2 HIS 1 4.015 -5.118 -4.583 9 HE1 HIS 1 HE1 HIS 1 4.814 -4.414 -0.474 10 HE2 HIS 1 HE2 HIS 1 4.789 -6.119 -2.334 11 H GLN 2 HN GLN 2 -0.824 -1.488 -3.560 12 HA GLN 2 HA GLN 2 -1.448 -0.062 -5.850 13 HB2 GLN 2 HB2 GLN 2 -3.048 -0.713 -4.093 14 HB3 GLN 2 HB1 GLN 2 -2.346 0.489 -3.019 15 HG2 GLN 2 HG2 GLN 2 -4.409 1.296 -3.992 16 HG3 GLN 2 HG1 GLN 2 -3.044 2.258 -4.546 17 HE21 GLN 2 HE21 GLN 2 -4.095 2.967 -6.371 18 HE22 GLN 2 HE22 GLN 2 -4.434 1.939 -7.720 19 H VAL 3 HN VAL 3 -1.007 1.794 -2.846 20 HA VAL 3 HA VAL 3 1.043 3.404 -4.196 21 HB VAL 3 HB VAL 3 -1.256 4.633 -2.652 22 HG11 VAL 3 HG11 VAL 3 0.835 5.879 -2.442 23 HG12 VAL 3 HG12 VAL 3 -0.337 6.768 -3.414 24 HG13 VAL 3 HG13 VAL 3 0.995 5.921 -4.198 25 HG21 VAL 3 HG21 VAL 3 -2.021 3.815 -4.818 26 HG22 VAL 3 HG22 VAL 3 -0.710 4.676 -5.619 27 HG23 VAL 3 HG23 VAL 3 -1.981 5.576 -4.792 28 HA PRO 4 HA PRO 4 2.312 2.608 0.131 29 HB2 PRO 4 HB2 PRO 4 4.342 0.842 -0.488 30 HB3 PRO 4 HB1 PRO 4 2.693 0.378 -0.076 31 HG2 PRO 4 HG2 PRO 4 4.011 0.066 -2.583 32 HG3 PRO 4 HG1 PRO 4 2.327 -0.315 -2.191 33 HD2 PRO 4 HD2 PRO 4 3.461 2.094 -3.511 34 HD3 PRO 4 HD1 PRO 4 1.854 1.354 -3.689 35 H SER 5 HN SER 5 4.492 2.798 1.133 36 HA SER 5 HA SER 5 6.402 4.309 -0.513 37 HB2 SER 5 HB2 SER 5 5.919 4.654 2.460 38 HB3 SER 5 HB1 SER 5 6.986 5.624 1.444 39 HG SER 5 HG SER 5 4.833 5.938 0.214 40 H GLY 6 HN GLY 6 6.417 1.586 -0.440 41 HA2 GLY 6 HA2 GLY 6 8.741 0.533 -0.106 42 HA3 GLY 6 HA1 GLY 6 8.384 0.799 1.595 43 HA PRO 7 HA PRO 7 7.047 -3.512 0.873 44 HB2 PRO 7 HB2 PRO 7 7.137 -3.530 3.824 45 HB3 PRO 7 HB1 PRO 7 7.931 -4.602 2.667 46 HG2 PRO 7 HG2 PRO 7 9.318 -2.786 4.060 47 HG3 PRO 7 HG1 PRO 7 9.730 -3.183 2.382 48 HD2 PRO 7 HD2 PRO 7 8.252 -0.816 3.459 49 HD3 PRO 7 HD1 PRO 7 9.472 -0.895 2.172 50 H ASN 8 HN ASN 8 5.129 -4.437 1.009 51 HA ASN 8 HA ASN 8 2.897 -4.671 1.080 52 HB2 ASN 8 HB2 ASN 8 3.362 -4.943 3.453 53 HB3 ASN 8 HB1 ASN 8 3.201 -3.211 3.707 54 HD21 ASN 8 HD21 ASN 8 1.167 -2.294 3.761 55 HD22 ASN 8 HD22 ASN 8 -0.286 -3.226 3.822 56 HA PRO 9 HA PRO 9 1.227 -0.835 -0.509 57 HB2 PRO 9 HB2 PRO 9 -1.443 -1.939 -0.318 58 HB3 PRO 9 HB1 PRO 9 -0.511 -1.585 -1.770 59 HG2 PRO 9 HG2 PRO 9 -1.138 -4.113 -0.920 60 HG3 PRO 9 HG1 PRO 9 0.251 -3.727 -1.941 61 HD2 PRO 9 HD2 PRO 9 0.136 -4.312 0.972 62 HD3 PRO 9 HD1 PRO 9 1.404 -4.703 -0.211 63 H LEU 10 HN LEU 10 1.448 0.568 1.160 64 HA LEU 10 HA LEU 10 0.873 0.006 3.766 65 HB2 LEU 10 HB2 LEU 10 0.992 2.731 2.465 66 HB3 LEU 10 HB1 LEU 10 1.063 2.448 4.193 67 HG LEU 10 HG LEU 10 3.101 1.571 2.149 68 HD11 LEU 10 HD11 LEU 10 3.171 3.949 2.669 69 HD12 LEU 10 HD12 LEU 10 4.575 3.114 3.330 70 HD13 LEU 10 HD13 LEU 10 3.245 3.578 4.390 71 HD21 LEU 10 HD21 LEU 10 2.919 -0.115 3.873 72 HD22 LEU 10 HD22 LEU 10 3.020 1.121 5.127 73 HD23 LEU 10 HD23 LEU 10 4.408 0.804 4.088 74 H HIS 11 HN HIS 11 -0.827 0.362 5.155 75 HA HIS 11 HA HIS 11 -3.356 -0.071 4.169 76 HB2 HIS 11 HB2 HIS 11 -4.209 0.324 6.403 77 HB3 HIS 11 HB1 HIS 11 -2.682 -0.539 6.500 78 HD1 HIS 11 HD1 HIS 11 -0.749 0.618 7.705 79 HD2 HIS 11 HD2 HIS 11 -4.157 2.977 7.380 80 HE1 HIS 11 HE1 HIS 11 -0.355 2.588 9.215 81 HE2 HIS 11 HE2 HIS 11 -2.508 3.894 9.151 82 H ASN 12 HN ASN 12 -5.214 1.079 3.959 83 HA ASN 12 HA ASN 12 -6.549 2.791 3.335 84 HB2 ASN 12 HB2 ASN 12 -4.344 4.553 4.415 85 HB3 ASN 12 HB1 ASN 12 -5.836 5.177 3.722 86 HD21 ASN 12 HD21 ASN 12 -6.470 6.137 5.625 87 HD22 ASN 12 HD22 ASN 12 -7.027 5.228 6.988 88 H LYS 13 HN LYS 13 -3.643 1.975 2.073 89 HA LYS 13 HA LYS 13 -4.397 3.128 -0.505 90 HB2 LYS 13 HB2 LYS 13 -1.640 3.351 0.717 91 HB3 LYS 13 HB1 LYS 13 -1.973 3.615 -0.988 92 HG2 LYS 13 HG2 LYS 13 -3.483 5.462 -0.382 93 HG3 LYS 13 HG1 LYS 13 -3.074 5.212 1.316 94 HD2 LYS 13 HD2 LYS 13 -0.730 5.696 0.815 95 HD3 LYS 13 HD1 LYS 13 -1.144 5.938 -0.882 96 HE2 LYS 13 HE2 LYS 13 -0.949 8.075 0.248 97 HE3 LYS 13 HE1 LYS 13 -2.616 7.791 -0.250 98 HZ1 LYS 13 HZ1 LYS 13 -2.442 8.695 2.003 99 HZ2 LYS 13 HZ2 LYS 13 -1.568 7.333 2.490 100 HZ3 LYS 13 HZ3 LYS 13 -3.173 7.173 1.991 101 H LYS 14 HN LYS 14 -4.929 0.588 0.260 102 HA LYS 14 HA LYS 14 -2.881 -1.005 -1.118 103 HB2 LYS 14 HB2 LYS 14 -3.017 -2.756 0.420 104 HB3 LYS 14 HB1 LYS 14 -3.109 -1.335 1.448 105 HG2 LYS 14 HG2 LYS 14 -5.453 -3.002 0.553 106 HG3 LYS 14 HG1 LYS 14 -4.678 -3.066 2.135 107 HD2 LYS 14 HD2 LYS 14 -5.364 -0.841 2.640 108 HD3 LYS 14 HD1 LYS 14 -5.946 -0.589 0.994 109 HE2 LYS 14 HE2 LYS 14 -7.553 -2.493 1.409 110 HE3 LYS 14 HE1 LYS 14 -7.089 -2.396 3.108 111 HZ1 LYS 14 HZ1 LYS 14 -8.251 -0.176 1.520 112 HZ2 LYS 14 HZ2 LYS 14 -7.849 -0.115 3.161 113 HZ3 LYS 14 HZ3 LYS 14 -9.095 -1.127 2.635 Start of MODEL 4 1 H1 HIS 1 HT1 HIS 1 -0.871 -3.182 -4.614 2 H2 HIS 1 HT2 HIS 1 0.370 -4.281 -4.291 3 H3 HIS 1 HT3 HIS 1 0.334 -3.458 -5.767 4 HA HIS 1 HA HIS 1 0.757 -2.257 -3.100 5 HB2 HIS 1 HB2 HIS 1 2.595 -2.912 -5.386 6 HB3 HIS 1 HB1 HIS 1 2.981 -1.595 -4.288 7 HD1 HIS 1 HD1 HIS 1 4.171 -2.226 -2.176 8 HD2 HIS 1 HD2 HIS 1 2.408 -5.500 -4.027 9 HE1 HIS 1 HE1 HIS 1 4.827 -4.219 -0.781 10 HE2 HIS 1 HE2 HIS 1 3.648 -6.166 -1.862 11 H GLN 2 HN GLN 2 -0.942 -0.813 -3.408 12 HA GLN 2 HA GLN 2 -1.357 0.728 -5.717 13 HB2 GLN 2 HB2 GLN 2 -3.054 0.277 -3.965 14 HB3 GLN 2 HB1 GLN 2 -2.192 1.361 -2.886 15 HG2 GLN 2 HG2 GLN 2 -2.581 3.199 -4.497 16 HG3 GLN 2 HG1 GLN 2 -3.552 2.091 -5.468 17 HE21 GLN 2 HE21 GLN 2 -5.546 1.389 -4.674 18 HE22 GLN 2 HE22 GLN 2 -6.351 2.207 -3.378 19 H VAL 3 HN VAL 3 -0.683 2.349 -2.640 20 HA VAL 3 HA VAL 3 1.424 3.886 -3.992 21 HB VAL 3 HB VAL 3 0.673 5.874 -2.589 22 HG11 VAL 3 HG11 VAL 3 -1.164 4.834 -4.747 23 HG12 VAL 3 HG12 VAL 3 0.308 5.776 -4.988 24 HG13 VAL 3 HG13 VAL 3 -1.087 6.506 -4.192 25 HG21 VAL 3 HG21 VAL 3 -0.764 4.692 -1.019 26 HG22 VAL 3 HG22 VAL 3 -1.819 4.184 -2.337 27 HG23 VAL 3 HG23 VAL 3 -1.696 5.891 -1.916 28 HA PRO 4 HA PRO 4 2.878 2.115 0.039 29 HB2 PRO 4 HB2 PRO 4 4.933 0.726 -1.435 30 HB3 PRO 4 HB1 PRO 4 3.578 0.047 -0.535 31 HG2 PRO 4 HG2 PRO 4 3.758 -0.124 -3.232 32 HG3 PRO 4 HG1 PRO 4 2.206 -0.005 -2.372 33 HD2 PRO 4 HD2 PRO 4 3.796 2.196 -3.680 34 HD3 PRO 4 HD1 PRO 4 2.068 1.800 -3.870 35 H SER 5 HN SER 5 4.950 2.137 1.082 36 HA SER 5 HA SER 5 7.055 3.752 -0.142 37 HB2 SER 5 HB2 SER 5 5.550 5.151 1.410 38 HB3 SER 5 HB1 SER 5 6.183 4.171 2.729 39 HG SER 5 HG SER 5 7.270 6.258 2.185 40 H GLY 6 HN GLY 6 6.799 1.005 0.048 41 HA2 GLY 6 HA2 GLY 6 9.082 0.003 1.137 42 HA3 GLY 6 HA1 GLY 6 7.934 -0.038 2.470 43 HA PRO 7 HA PRO 7 7.443 -3.942 0.022 44 HB2 PRO 7 HB2 PRO 7 7.287 -5.287 2.595 45 HB3 PRO 7 HB1 PRO 7 8.457 -5.508 1.294 46 HG2 PRO 7 HG2 PRO 7 9.101 -4.386 3.680 47 HG3 PRO 7 HG1 PRO 7 9.913 -3.964 2.164 48 HD2 PRO 7 HD2 PRO 7 7.758 -2.489 3.629 49 HD3 PRO 7 HD1 PRO 7 9.207 -1.856 2.821 50 H ASN 8 HN ASN 8 5.367 -2.043 1.517 51 HA ASN 8 HA ASN 8 3.158 -3.739 0.804 52 HB2 ASN 8 HB2 ASN 8 2.016 -3.703 2.923 53 HB3 ASN 8 HB1 ASN 8 3.622 -4.374 3.167 54 HD21 ASN 8 HD21 ASN 8 1.770 -3.130 5.053 55 HD22 ASN 8 HD22 ASN 8 2.642 -1.823 5.778 56 HA PRO 9 HA PRO 9 1.569 0.135 -0.390 57 HB2 PRO 9 HB2 PRO 9 -1.179 -0.514 0.215 58 HB3 PRO 9 HB1 PRO 9 -0.382 -0.451 -1.353 59 HG2 PRO 9 HG2 PRO 9 -1.262 -2.760 -0.145 60 HG3 PRO 9 HG1 PRO 9 -0.005 -2.686 -1.386 61 HD2 PRO 9 HD2 PRO 9 0.250 -3.024 1.553 62 HD3 PRO 9 HD1 PRO 9 1.261 -3.671 0.246 63 H LEU 10 HN LEU 10 1.284 2.081 0.509 64 HA LEU 10 HA LEU 10 1.051 2.160 3.384 65 HB2 LEU 10 HB2 LEU 10 2.699 3.537 2.079 66 HB3 LEU 10 HB1 LEU 10 1.352 4.479 1.473 67 HG LEU 10 HG LEU 10 0.813 5.156 3.799 68 HD11 LEU 10 HD11 LEU 10 1.747 3.261 4.987 69 HD12 LEU 10 HD12 LEU 10 2.474 4.762 5.557 70 HD13 LEU 10 HD13 LEU 10 3.371 3.707 4.465 71 HD21 LEU 10 HD21 LEU 10 2.733 6.667 4.082 72 HD22 LEU 10 HD22 LEU 10 2.160 6.612 2.416 73 HD23 LEU 10 HD23 LEU 10 3.622 5.740 2.875 74 H HIS 11 HN HIS 11 -1.206 1.208 2.713 75 HA HIS 11 HA HIS 11 -3.236 3.154 3.306 76 HB2 HIS 11 HB2 HIS 11 -2.831 2.227 0.537 77 HB3 HIS 11 HB1 HIS 11 -4.477 2.066 1.140 78 HD1 HIS 11 HD1 HIS 11 -4.246 3.975 -1.090 79 HD2 HIS 11 HD2 HIS 11 -3.514 5.137 2.836 80 HE1 HIS 11 HE1 HIS 11 -4.548 6.469 -1.048 81 HE2 HIS 11 HE2 HIS 11 -3.974 7.163 1.301 82 H ASN 12 HN ASN 12 -4.693 2.237 4.512 83 HA ASN 12 HA ASN 12 -4.824 -0.550 4.989 84 HB2 ASN 12 HB2 ASN 12 -5.646 1.260 6.554 85 HB3 ASN 12 HB1 ASN 12 -7.006 1.502 5.464 86 HD21 ASN 12 HD21 ASN 12 -8.644 -0.016 5.392 87 HD22 ASN 12 HD22 ASN 12 -8.793 -1.280 6.564 88 H LYS 13 HN LYS 13 -5.923 1.540 2.568 89 HA LYS 13 HA LYS 13 -7.862 -0.389 1.503 90 HB2 LYS 13 HB2 LYS 13 -6.954 2.305 0.465 91 HB3 LYS 13 HB1 LYS 13 -8.141 1.284 -0.334 92 HG2 LYS 13 HG2 LYS 13 -9.574 1.445 1.675 93 HG3 LYS 13 HG1 LYS 13 -8.402 2.560 2.380 94 HD2 LYS 13 HD2 LYS 13 -8.739 4.075 0.467 95 HD3 LYS 13 HD1 LYS 13 -9.943 2.960 -0.180 96 HE2 LYS 13 HE2 LYS 13 -11.034 4.780 0.987 97 HE3 LYS 13 HE1 LYS 13 -11.290 3.261 1.845 98 HZ1 LYS 13 HZ1 LYS 13 -10.748 5.075 3.352 99 HZ2 LYS 13 HZ2 LYS 13 -9.273 5.319 2.564 100 HZ3 LYS 13 HZ3 LYS 13 -9.559 3.875 3.397 101 H LYS 14 HN LYS 14 -6.200 -2.030 1.314 102 HA LYS 14 HA LYS 14 -4.270 -1.573 -0.846 103 HB2 LYS 14 HB2 LYS 14 -3.221 -3.708 0.087 104 HB3 LYS 14 HB1 LYS 14 -3.113 -2.263 1.080 105 HG2 LYS 14 HG2 LYS 14 -5.013 -3.060 2.420 106 HG3 LYS 14 HG1 LYS 14 -5.072 -4.525 1.442 107 HD2 LYS 14 HD2 LYS 14 -3.896 -4.998 3.479 108 HD3 LYS 14 HD1 LYS 14 -2.747 -5.026 2.141 109 HE2 LYS 14 HE2 LYS 14 -1.988 -2.792 2.711 110 HE3 LYS 14 HE1 LYS 14 -3.188 -2.692 3.999 111 HZ1 LYS 14 HZ1 LYS 14 -1.013 -3.244 4.869 112 HZ2 LYS 14 HZ2 LYS 14 -0.926 -4.611 3.883 113 HZ3 LYS 14 HZ3 LYS 14 -2.080 -4.531 5.112 Start of MODEL 5 1 H1 HIS 1 HT1 HIS 1 2.200 -2.234 -5.848 2 H2 HIS 1 HT2 HIS 1 0.850 -3.029 -6.467 3 H3 HIS 1 HT3 HIS 1 1.814 -3.788 -5.310 4 HA HIS 1 HA HIS 1 -0.223 -2.979 -4.308 5 HB2 HIS 1 HB2 HIS 1 1.927 -1.073 -3.428 6 HB3 HIS 1 HB1 HIS 1 0.704 -1.854 -2.449 7 HD1 HIS 1 HD1 HIS 1 1.402 -3.961 -1.243 8 HD2 HIS 1 HD2 HIS 1 4.129 -2.806 -4.160 9 HE1 HIS 1 HE1 HIS 1 3.515 -5.225 -0.732 10 HE2 HIS 1 HE2 HIS 1 5.033 -4.733 -2.692 11 H GLN 2 HN GLN 2 -0.999 -0.641 -3.319 12 HA GLN 2 HA GLN 2 -1.621 0.984 -5.591 13 HB2 GLN 2 HB2 GLN 2 -3.133 0.699 -3.610 14 HB3 GLN 2 HB1 GLN 2 -2.037 1.722 -2.694 15 HG2 GLN 2 HG2 GLN 2 -2.404 3.491 -4.446 16 HG3 GLN 2 HG1 GLN 2 -3.689 2.472 -5.088 17 HE21 GLN 2 HE21 GLN 2 -5.296 3.945 -4.660 18 HE22 GLN 2 HE22 GLN 2 -5.829 4.313 -3.057 19 H VAL 3 HN VAL 3 -0.553 2.603 -2.649 20 HA VAL 3 HA VAL 3 1.741 3.739 -4.088 21 HB VAL 3 HB VAL 3 1.173 5.975 -2.991 22 HG11 VAL 3 HG11 VAL 3 0.949 5.593 -5.385 23 HG12 VAL 3 HG12 VAL 3 -0.363 6.613 -4.793 24 HG13 VAL 3 HG13 VAL 3 -0.657 4.909 -5.140 25 HG21 VAL 3 HG21 VAL 3 -1.532 4.656 -2.738 26 HG22 VAL 3 HG22 VAL 3 -1.205 6.373 -2.509 27 HG23 VAL 3 HG23 VAL 3 -0.503 5.188 -1.408 28 HA PRO 4 HA PRO 4 2.858 2.377 0.181 29 HB2 PRO 4 HB2 PRO 4 4.909 0.752 -1.028 30 HB3 PRO 4 HB1 PRO 4 3.452 0.235 -0.174 31 HG2 PRO 4 HG2 PRO 4 3.781 -0.185 -2.818 32 HG3 PRO 4 HG1 PRO 4 2.196 0.153 -2.086 33 HD2 PRO 4 HD2 PRO 4 4.073 2.095 -3.426 34 HD3 PRO 4 HD1 PRO 4 2.344 1.801 -3.763 35 H SER 5 HN SER 5 4.913 2.214 1.318 36 HA SER 5 HA SER 5 7.186 3.614 0.091 37 HB2 SER 5 HB2 SER 5 6.220 5.089 1.793 38 HB3 SER 5 HB1 SER 5 6.243 3.783 2.973 39 HG SER 5 HG SER 5 8.626 3.786 2.488 40 H GLY 6 HN GLY 6 6.199 0.825 0.382 41 HA2 GLY 6 HA2 GLY 6 8.549 -0.573 0.871 42 HA3 GLY 6 HA1 GLY 6 7.611 -0.590 2.362 43 HA PRO 7 HA PRO 7 6.067 -4.093 -0.254 44 HB2 PRO 7 HB2 PRO 7 6.094 -5.671 2.175 45 HB3 PRO 7 HB1 PRO 7 7.025 -5.904 0.695 46 HG2 PRO 7 HG2 PRO 7 8.142 -5.157 3.063 47 HG3 PRO 7 HG1 PRO 7 8.820 -4.719 1.486 48 HD2 PRO 7 HD2 PRO 7 7.147 -3.080 3.355 49 HD3 PRO 7 HD1 PRO 7 8.568 -2.600 2.401 50 H ASN 8 HN ASN 8 4.479 -1.983 1.094 51 HA ASN 8 HA ASN 8 2.015 -3.350 0.861 52 HB2 ASN 8 HB2 ASN 8 1.137 -3.003 3.116 53 HB3 ASN 8 HB1 ASN 8 2.550 -4.054 3.142 54 HD21 ASN 8 HD21 ASN 8 1.298 -2.322 5.206 55 HD22 ASN 8 HD22 ASN 8 2.578 -1.312 5.783 56 HA PRO 9 HA PRO 9 1.149 0.701 -0.504 57 HB2 PRO 9 HB2 PRO 9 -1.554 0.607 -0.620 58 HB3 PRO 9 HB1 PRO 9 -0.515 -0.214 -1.785 59 HG2 PRO 9 HG2 PRO 9 -1.930 -1.331 0.603 60 HG3 PRO 9 HG1 PRO 9 -1.758 -2.021 -1.021 61 HD2 PRO 9 HD2 PRO 9 -0.235 -2.814 1.074 62 HD3 PRO 9 HD1 PRO 9 0.364 -2.808 -0.597 63 H LEU 10 HN LEU 10 1.126 2.557 0.516 64 HA LEU 10 HA LEU 10 0.876 2.697 3.272 65 HB2 LEU 10 HB2 LEU 10 0.844 4.882 1.203 66 HB3 LEU 10 HB1 LEU 10 0.836 5.209 2.924 67 HG LEU 10 HG LEU 10 3.015 3.792 1.395 68 HD11 LEU 10 HD11 LEU 10 4.345 5.763 1.987 69 HD12 LEU 10 HD12 LEU 10 2.916 6.501 2.705 70 HD13 LEU 10 HD13 LEU 10 2.964 6.175 0.973 71 HD21 LEU 10 HD21 LEU 10 4.251 3.917 3.542 72 HD22 LEU 10 HD22 LEU 10 2.859 2.838 3.596 73 HD23 LEU 10 HD23 LEU 10 2.762 4.440 4.328 74 H HIS 11 HN HIS 11 -0.956 2.209 4.278 75 HA HIS 11 HA HIS 11 -3.020 2.425 5.152 76 HB2 HIS 11 HB2 HIS 11 -2.938 5.158 3.861 77 HB3 HIS 11 HB1 HIS 11 -4.140 4.634 5.035 78 HD1 HIS 11 HD1 HIS 11 -3.301 4.297 7.509 79 HD2 HIS 11 HD2 HIS 11 -0.508 5.942 4.909 80 HE1 HIS 11 HE1 HIS 11 -1.496 5.250 8.973 81 HE2 HIS 11 HE2 HIS 11 0.257 6.096 7.372 82 H ASN 12 HN ASN 12 -2.703 1.285 2.494 83 HA ASN 12 HA ASN 12 -5.571 1.444 1.809 84 HB2 ASN 12 HB2 ASN 12 -4.057 2.127 -0.069 85 HB3 ASN 12 HB1 ASN 12 -3.327 0.530 -0.007 86 HD21 ASN 12 HD21 ASN 12 -4.330 -1.156 -1.011 87 HD22 ASN 12 HD22 ASN 12 -5.813 -1.008 -1.884 88 H LYS 13 HN LYS 13 -3.479 -0.106 3.581 89 HA LYS 13 HA LYS 13 -3.189 -2.174 4.457 90 HB2 LYS 13 HB2 LYS 13 -5.733 -2.975 3.037 91 HB3 LYS 13 HB1 LYS 13 -5.003 -3.756 4.434 92 HG2 LYS 13 HG2 LYS 13 -6.146 -0.972 4.395 93 HG3 LYS 13 HG1 LYS 13 -6.956 -2.403 5.030 94 HD2 LYS 13 HD2 LYS 13 -5.212 -2.658 6.708 95 HD3 LYS 13 HD1 LYS 13 -4.352 -1.271 6.035 96 HE2 LYS 13 HE2 LYS 13 -5.629 -0.649 8.027 97 HE3 LYS 13 HE1 LYS 13 -6.221 0.183 6.591 98 HZ1 LYS 13 HZ1 LYS 13 -8.022 -0.670 7.977 99 HZ2 LYS 13 HZ2 LYS 13 -7.443 -2.248 7.780 100 HZ3 LYS 13 HZ3 LYS 13 -8.028 -1.387 6.447 101 H LYS 14 HN LYS 14 -4.729 -2.989 1.363 102 HA LYS 14 HA LYS 14 -2.418 -3.753 -0.024 103 HB2 LYS 14 HB2 LYS 14 -2.314 -5.524 1.715 104 HB3 LYS 14 HB1 LYS 14 -3.929 -6.050 1.265 105 HG2 LYS 14 HG2 LYS 14 -3.134 -6.711 -0.925 106 HG3 LYS 14 HG1 LYS 14 -1.521 -6.107 -0.538 107 HD2 LYS 14 HD2 LYS 14 -1.340 -7.717 1.276 108 HD3 LYS 14 HD1 LYS 14 -2.958 -8.323 0.916 109 HE2 LYS 14 HE2 LYS 14 -2.211 -9.051 -1.279 110 HE3 LYS 14 HE1 LYS 14 -0.606 -8.390 -0.970 111 HZ1 LYS 14 HZ1 LYS 14 -1.900 -10.604 0.524 112 HZ2 LYS 14 HZ2 LYS 14 -0.381 -9.954 0.874 113 HZ3 LYS 14 HZ3 LYS 14 -0.639 -10.758 -0.590 Start of MODEL 6 1 H1 HIS 1 HT1 HIS 1 -0.666 -3.331 -5.096 2 H2 HIS 1 HT2 HIS 1 0.669 -4.356 -4.992 3 H3 HIS 1 HT3 HIS 1 0.557 -3.239 -6.257 4 HA HIS 1 HA HIS 1 0.874 -2.615 -3.383 5 HB2 HIS 1 HB2 HIS 1 2.746 -2.546 -5.734 6 HB3 HIS 1 HB1 HIS 1 3.003 -1.486 -4.357 7 HD1 HIS 1 HD1 HIS 1 4.515 -2.406 -2.667 8 HD2 HIS 1 HD2 HIS 1 2.590 -5.416 -4.787 9 HE1 HIS 1 HE1 HIS 1 5.415 -4.557 -1.738 10 HE2 HIS 1 HE2 HIS 1 4.157 -6.369 -2.962 11 H GLN 2 HN GLN 2 -1.095 -1.337 -3.606 12 HA GLN 2 HA GLN 2 -0.902 1.013 -5.315 13 HB2 GLN 2 HB2 GLN 2 -3.076 -0.033 -3.505 14 HB3 GLN 2 HB1 GLN 2 -3.201 1.481 -4.398 15 HG2 GLN 2 HG2 GLN 2 -3.032 0.305 -6.497 16 HG3 GLN 2 HG1 GLN 2 -2.767 -1.219 -5.655 17 HE21 GLN 2 HE21 GLN 2 -4.834 -0.472 -7.558 18 HE22 GLN 2 HE22 GLN 2 -6.343 -0.735 -6.756 19 H VAL 3 HN VAL 3 0.070 2.752 -4.636 20 HA VAL 3 HA VAL 3 1.021 4.351 -3.329 21 HB VAL 3 HB VAL 3 -1.474 4.148 -1.650 22 HG11 VAL 3 HG11 VAL 3 0.228 5.707 -0.858 23 HG12 VAL 3 HG12 VAL 3 -1.197 6.567 -1.438 24 HG13 VAL 3 HG13 VAL 3 0.255 6.492 -2.437 25 HG21 VAL 3 HG21 VAL 3 -2.570 5.615 -3.267 26 HG22 VAL 3 HG22 VAL 3 -2.119 4.079 -4.006 27 HG23 VAL 3 HG23 VAL 3 -1.156 5.523 -4.317 28 HA PRO 4 HA PRO 4 2.240 1.377 0.111 29 HB2 PRO 4 HB2 PRO 4 4.799 1.368 -1.376 30 HB3 PRO 4 HB1 PRO 4 3.894 0.015 -0.683 31 HG2 PRO 4 HG2 PRO 4 3.897 0.311 -3.289 32 HG3 PRO 4 HG1 PRO 4 2.360 -0.013 -2.439 33 HD2 PRO 4 HD2 PRO 4 3.467 2.666 -3.297 34 HD3 PRO 4 HD1 PRO 4 1.895 1.938 -3.721 35 H SER 5 HN SER 5 3.611 1.759 1.804 36 HA SER 5 HA SER 5 5.295 4.169 1.698 37 HB2 SER 5 HB2 SER 5 4.165 2.844 4.181 38 HB3 SER 5 HB1 SER 5 4.980 4.405 4.080 39 HG SER 5 HG SER 5 2.389 3.898 3.840 40 H GLY 6 HN GLY 6 5.665 1.336 0.890 41 HA2 GLY 6 HA2 GLY 6 8.278 0.806 1.549 42 HA3 GLY 6 HA1 GLY 6 7.310 -0.023 2.766 43 HA PRO 7 HA PRO 7 7.413 -2.897 -0.833 44 HB2 PRO 7 HB2 PRO 7 7.976 -5.142 0.515 45 HB3 PRO 7 HB1 PRO 7 9.235 -3.971 0.106 46 HG2 PRO 7 HG2 PRO 7 7.820 -4.403 2.703 47 HG3 PRO 7 HG1 PRO 7 9.533 -4.063 2.403 48 HD2 PRO 7 HD2 PRO 7 7.676 -2.177 3.178 49 HD3 PRO 7 HD1 PRO 7 9.187 -1.807 2.326 50 H ASN 8 HN ASN 8 5.059 -1.912 0.313 51 HA ASN 8 HA ASN 8 3.200 -3.982 -0.142 52 HB2 ASN 8 HB2 ASN 8 3.988 -4.781 2.049 53 HB3 ASN 8 HB1 ASN 8 3.642 -3.211 2.764 54 HD21 ASN 8 HD21 ASN 8 2.327 -6.195 1.617 55 HD22 ASN 8 HD22 ASN 8 0.728 -5.960 2.232 56 HA PRO 9 HA PRO 9 0.825 -0.248 -0.763 57 HB2 PRO 9 HB2 PRO 9 -1.716 -1.278 -0.369 58 HB3 PRO 9 HB1 PRO 9 -0.826 -1.332 -1.892 59 HG2 PRO 9 HG2 PRO 9 -1.222 -3.449 0.152 60 HG3 PRO 9 HG1 PRO 9 -1.070 -3.596 -1.603 61 HD2 PRO 9 HD2 PRO 9 0.924 -4.227 0.133 62 HD3 PRO 9 HD1 PRO 9 1.221 -3.655 -1.521 63 H LEU 10 HN LEU 10 1.782 0.441 1.294 64 HA LEU 10 HA LEU 10 0.183 0.054 3.694 65 HB2 LEU 10 HB2 LEU 10 2.901 1.270 3.258 66 HB3 LEU 10 HB1 LEU 10 2.121 1.168 4.822 67 HG LEU 10 HG LEU 10 2.771 -1.242 3.129 68 HD11 LEU 10 HD11 LEU 10 4.829 -0.087 3.733 69 HD12 LEU 10 HD12 LEU 10 4.663 -1.590 4.640 70 HD13 LEU 10 HD13 LEU 10 4.322 -0.046 5.421 71 HD21 LEU 10 HD21 LEU 10 2.009 -0.940 6.033 72 HD22 LEU 10 HD22 LEU 10 2.440 -2.451 5.234 73 HD23 LEU 10 HD23 LEU 10 0.984 -1.585 4.750 74 H HIS 11 HN HIS 11 -1.043 1.739 1.803 75 HA HIS 11 HA HIS 11 -1.675 3.851 3.601 76 HB2 HIS 11 HB2 HIS 11 0.281 4.877 2.454 77 HB3 HIS 11 HB1 HIS 11 -0.552 4.684 0.915 78 HD1 HIS 11 HD1 HIS 11 -0.508 6.775 4.007 79 HD2 HIS 11 HD2 HIS 11 -2.646 6.509 0.454 80 HE1 HIS 11 HE1 HIS 11 -1.859 8.889 3.872 81 HE2 HIS 11 HE2 HIS 11 -3.259 8.634 1.793 82 H ASN 12 HN ASN 12 -2.080 2.294 0.522 83 HA ASN 12 HA ASN 12 -4.760 3.243 0.161 84 HB2 ASN 12 HB2 ASN 12 -3.315 2.389 -1.697 85 HB3 ASN 12 HB1 ASN 12 -3.432 0.780 -1.001 86 HD21 ASN 12 HD21 ASN 12 -5.103 3.295 -2.713 87 HD22 ASN 12 HD22 ASN 12 -6.451 2.335 -3.210 88 H LYS 13 HN LYS 13 -3.474 1.587 2.565 89 HA LYS 13 HA LYS 13 -4.108 0.051 4.106 90 HB2 LYS 13 HB2 LYS 13 -6.840 0.818 3.074 91 HB3 LYS 13 HB1 LYS 13 -6.571 -0.163 4.507 92 HG2 LYS 13 HG2 LYS 13 -5.416 1.667 5.585 93 HG3 LYS 13 HG1 LYS 13 -5.569 2.651 4.129 94 HD2 LYS 13 HD2 LYS 13 -7.987 2.634 4.350 95 HD3 LYS 13 HD1 LYS 13 -7.866 1.572 5.753 96 HE2 LYS 13 HE2 LYS 13 -6.684 3.292 6.985 97 HE3 LYS 13 HE1 LYS 13 -6.712 4.350 5.577 98 HZ1 LYS 13 HZ1 LYS 13 -9.098 4.451 5.708 99 HZ2 LYS 13 HZ2 LYS 13 -8.442 4.898 7.199 100 HZ3 LYS 13 HZ3 LYS 13 -9.123 3.363 7.002 101 H LYS 14 HN LYS 14 -3.268 -0.982 1.695 102 HA LYS 14 HA LYS 14 -3.457 -2.673 0.157 103 HB2 LYS 14 HB2 LYS 14 -3.241 -4.893 1.293 104 HB3 LYS 14 HB1 LYS 14 -2.113 -3.667 1.834 105 HG2 LYS 14 HG2 LYS 14 -4.637 -4.190 3.352 106 HG3 LYS 14 HG1 LYS 14 -3.230 -5.228 3.558 107 HD2 LYS 14 HD2 LYS 14 -3.261 -2.235 3.955 108 HD3 LYS 14 HD1 LYS 14 -3.373 -3.431 5.245 109 HE2 LYS 14 HE2 LYS 14 -1.060 -3.068 3.345 110 HE3 LYS 14 HE1 LYS 14 -1.101 -2.583 5.036 111 HZ1 LYS 14 HZ1 LYS 14 -1.326 -5.375 4.054 112 HZ2 LYS 14 HZ2 LYS 14 -1.316 -4.890 5.673 113 HZ3 LYS 14 HZ3 LYS 14 0.063 -4.680 4.719 Start of MODEL 7 1 H1 HIS 1 HT1 HIS 1 -0.796 -3.410 -4.941 2 H2 HIS 1 HT2 HIS 1 0.540 -4.436 -4.847 3 H3 HIS 1 HT3 HIS 1 0.505 -3.196 -5.998 4 HA HIS 1 HA HIS 1 0.588 -2.844 -3.066 5 HB2 HIS 1 HB2 HIS 1 2.672 -2.735 -5.206 6 HB3 HIS 1 HB1 HIS 1 2.813 -1.649 -3.832 7 HD1 HIS 1 HD1 HIS 1 3.936 -2.573 -1.821 8 HD2 HIS 1 HD2 HIS 1 2.657 -5.571 -4.392 9 HE1 HIS 1 HE1 HIS 1 4.778 -4.714 -0.815 10 HE2 HIS 1 HE2 HIS 1 4.159 -6.492 -2.501 11 H GLN 2 HN GLN 2 -1.076 -1.358 -2.935 12 HA GLN 2 HA GLN 2 -1.124 0.912 -4.716 13 HB2 GLN 2 HB2 GLN 2 -2.876 -0.019 -2.470 14 HB3 GLN 2 HB1 GLN 2 -3.050 1.601 -3.133 15 HG2 GLN 2 HG2 GLN 2 -3.291 -0.971 -4.678 16 HG3 GLN 2 HG1 GLN 2 -4.628 0.046 -4.140 17 HE21 GLN 2 HE21 GLN 2 -2.019 -0.302 -6.401 18 HE22 GLN 2 HE22 GLN 2 -2.471 1.006 -7.443 19 H VAL 3 HN VAL 3 0.101 2.581 -4.455 20 HA VAL 3 HA VAL 3 1.362 4.249 -3.558 21 HB VAL 3 HB VAL 3 -0.831 4.467 -1.505 22 HG11 VAL 3 HG11 VAL 3 0.844 6.531 -2.931 23 HG12 VAL 3 HG12 VAL 3 1.020 6.027 -1.252 24 HG13 VAL 3 HG13 VAL 3 -0.436 6.875 -1.770 25 HG21 VAL 3 HG21 VAL 3 -0.916 5.353 -4.388 26 HG22 VAL 3 HG22 VAL 3 -2.114 5.750 -3.157 27 HG23 VAL 3 HG23 VAL 3 -1.889 4.075 -3.660 28 HA PRO 4 HA PRO 4 2.888 1.913 0.201 29 HB2 PRO 4 HB2 PRO 4 4.951 0.623 -1.323 30 HB3 PRO 4 HB1 PRO 4 3.549 -0.116 -0.543 31 HG2 PRO 4 HG2 PRO 4 3.880 -0.026 -3.251 32 HG3 PRO 4 HG1 PRO 4 2.294 -0.063 -2.452 33 HD2 PRO 4 HD2 PRO 4 3.824 2.318 -3.484 34 HD3 PRO 4 HD1 PRO 4 2.116 1.880 -3.752 35 H SER 5 HN SER 5 4.666 2.410 1.445 36 HA SER 5 HA SER 5 6.697 4.151 0.234 37 HB2 SER 5 HB2 SER 5 6.051 3.708 3.162 38 HB3 SER 5 HB1 SER 5 7.216 4.866 2.522 39 HG SER 5 HG SER 5 4.832 5.226 1.331 40 H GLY 6 HN GLY 6 6.352 1.152 0.263 41 HA2 GLY 6 HA2 GLY 6 8.997 0.340 0.315 42 HA3 GLY 6 HA1 GLY 6 8.340 0.001 1.911 43 HA PRO 7 HA PRO 7 7.285 -3.645 -0.649 44 HB2 PRO 7 HB2 PRO 7 7.831 -5.529 1.173 45 HB3 PRO 7 HB1 PRO 7 9.115 -4.712 0.274 46 HG2 PRO 7 HG2 PRO 7 8.157 -4.236 3.065 47 HG3 PRO 7 HG1 PRO 7 9.816 -4.261 2.442 48 HD2 PRO 7 HD2 PRO 7 8.362 -1.968 2.915 49 HD3 PRO 7 HD1 PRO 7 9.720 -2.077 1.779 50 H ASN 8 HN ASN 8 5.370 -1.978 0.913 51 HA ASN 8 HA ASN 8 3.277 -3.929 1.043 52 HB2 ASN 8 HB2 ASN 8 4.297 -4.261 3.239 53 HB3 ASN 8 HB1 ASN 8 4.154 -2.540 3.587 54 HD21 ASN 8 HD21 ASN 8 2.467 -5.556 3.265 55 HD22 ASN 8 HD22 ASN 8 0.991 -5.041 4.006 56 HA PRO 9 HA PRO 9 1.225 -0.291 -0.390 57 HB2 PRO 9 HB2 PRO 9 -1.311 -1.388 0.581 58 HB3 PRO 9 HB1 PRO 9 -0.793 -1.065 -1.072 59 HG2 PRO 9 HG2 PRO 9 -1.066 -3.572 -0.067 60 HG3 PRO 9 HG1 PRO 9 0.079 -3.158 -1.347 61 HD2 PRO 9 HD2 PRO 9 0.567 -3.675 1.536 62 HD3 PRO 9 HD1 PRO 9 1.593 -4.021 0.132 63 H LEU 10 HN LEU 10 1.195 1.597 0.617 64 HA LEU 10 HA LEU 10 0.896 1.678 3.475 65 HB2 LEU 10 HB2 LEU 10 2.573 3.076 2.354 66 HB3 LEU 10 HB1 LEU 10 1.302 3.922 1.495 67 HG LEU 10 HG LEU 10 0.423 4.682 3.730 68 HD11 LEU 10 HD11 LEU 10 1.957 4.604 5.630 69 HD12 LEU 10 HD12 LEU 10 3.070 3.609 4.690 70 HD13 LEU 10 HD13 LEU 10 1.478 2.986 5.119 71 HD21 LEU 10 HD21 LEU 10 1.717 6.156 2.300 72 HD22 LEU 10 HD22 LEU 10 3.217 5.517 2.971 73 HD23 LEU 10 HD23 LEU 10 2.113 6.432 3.996 74 H HIS 11 HN HIS 11 -1.165 1.341 4.116 75 HA HIS 11 HA HIS 11 -3.363 1.719 4.522 76 HB2 HIS 11 HB2 HIS 11 -2.623 4.433 3.422 77 HB3 HIS 11 HB1 HIS 11 -4.237 4.064 4.015 78 HD1 HIS 11 HD1 HIS 11 -4.602 4.645 6.380 79 HD2 HIS 11 HD2 HIS 11 -0.592 3.882 5.588 80 HE1 HIS 11 HE1 HIS 11 -3.390 5.079 8.540 81 HE2 HIS 11 HE2 HIS 11 -1.000 4.445 8.080 82 H ASN 12 HN ASN 12 -5.183 3.327 2.915 83 HA ASN 12 HA ASN 12 -6.546 3.186 1.112 84 HB2 ASN 12 HB2 ASN 12 -4.426 3.416 -0.223 85 HB3 ASN 12 HB1 ASN 12 -4.329 1.663 -0.284 86 HD21 ASN 12 HD21 ASN 12 -5.684 0.529 -1.668 87 HD22 ASN 12 HD22 ASN 12 -6.682 1.317 -2.843 88 H LYS 13 HN LYS 13 -5.656 0.769 3.028 89 HA LYS 13 HA LYS 13 -6.329 -1.353 3.481 90 HB2 LYS 13 HB2 LYS 13 -8.573 -0.223 3.292 91 HB3 LYS 13 HB1 LYS 13 -8.640 -0.754 1.619 92 HG2 LYS 13 HG2 LYS 13 -8.533 -3.095 2.388 93 HG3 LYS 13 HG1 LYS 13 -8.560 -2.518 4.056 94 HD2 LYS 13 HD2 LYS 13 -10.727 -1.492 3.690 95 HD3 LYS 13 HD1 LYS 13 -10.704 -2.005 2.001 96 HE2 LYS 13 HE2 LYS 13 -10.687 -4.338 2.703 97 HE3 LYS 13 HE1 LYS 13 -10.656 -3.839 4.392 98 HZ1 LYS 13 HZ1 LYS 13 -12.846 -3.270 2.471 99 HZ2 LYS 13 HZ2 LYS 13 -12.819 -2.815 4.097 100 HZ3 LYS 13 HZ3 LYS 13 -12.885 -4.452 3.679 101 H LYS 14 HN LYS 14 -4.421 -1.026 1.564 102 HA LYS 14 HA LYS 14 -3.435 -1.740 -0.345 103 HB2 LYS 14 HB2 LYS 14 -3.271 -4.220 -0.500 104 HB3 LYS 14 HB1 LYS 14 -2.912 -3.576 1.091 105 HG2 LYS 14 HG2 LYS 14 -5.101 -4.273 1.885 106 HG3 LYS 14 HG1 LYS 14 -5.512 -4.866 0.277 107 HD2 LYS 14 HD2 LYS 14 -4.847 -6.722 1.656 108 HD3 LYS 14 HD1 LYS 14 -3.619 -6.450 0.419 109 HE2 LYS 14 HE2 LYS 14 -2.269 -5.212 2.072 110 HE3 LYS 14 HE1 LYS 14 -3.483 -5.565 3.300 111 HZ1 LYS 14 HZ1 LYS 14 -1.929 -7.605 1.803 112 HZ2 LYS 14 HZ2 LYS 14 -3.037 -7.907 3.044 113 HZ3 LYS 14 HZ3 LYS 14 -1.594 -7.094 3.380 Start of MODEL 8 1 H1 HIS 1 HT1 HIS 1 -1.503 -3.010 -4.282 2 H2 HIS 1 HT2 HIS 1 -0.334 -4.224 -4.172 3 H3 HIS 1 HT3 HIS 1 -0.413 -3.251 -5.551 4 HA HIS 1 HA HIS 1 0.248 -2.300 -2.827 5 HB2 HIS 1 HB2 HIS 1 1.949 -3.079 -5.175 6 HB3 HIS 1 HB1 HIS 1 2.498 -1.809 -4.088 7 HD1 HIS 1 HD1 HIS 1 4.117 -2.741 -2.477 8 HD2 HIS 1 HD2 HIS 1 1.099 -5.461 -3.354 9 HE1 HIS 1 HE1 HIS 1 4.535 -4.720 -0.976 10 HE2 HIS 1 HE2 HIS 1 2.860 -6.447 -1.740 11 H GLN 2 HN GLN 2 -1.290 -0.677 -3.042 12 HA GLN 2 HA GLN 2 -1.659 0.950 -5.290 13 HB2 GLN 2 HB2 GLN 2 -3.317 0.603 -3.502 14 HB3 GLN 2 HB1 GLN 2 -2.308 1.521 -2.396 15 HG2 GLN 2 HG2 GLN 2 -4.122 2.889 -3.203 16 HG3 GLN 2 HG1 GLN 2 -2.588 3.504 -3.817 17 HE21 GLN 2 HE21 GLN 2 -5.534 1.838 -4.615 18 HE22 GLN 2 HE22 GLN 2 -5.412 2.027 -6.331 19 H VAL 3 HN VAL 3 -0.636 2.327 -2.184 20 HA VAL 3 HA VAL 3 1.388 3.901 -3.610 21 HB VAL 3 HB VAL 3 0.674 5.838 -2.053 22 HG11 VAL 3 HG11 VAL 3 -1.086 4.973 -4.348 23 HG12 VAL 3 HG12 VAL 3 0.411 5.895 -4.472 24 HG13 VAL 3 HG13 VAL 3 -0.998 6.605 -3.686 25 HG21 VAL 3 HG21 VAL 3 -1.840 4.164 -2.028 26 HG22 VAL 3 HG22 VAL 3 -1.725 5.836 -1.482 27 HG23 VAL 3 HG23 VAL 3 -0.841 4.568 -0.632 28 HA PRO 4 HA PRO 4 3.029 2.220 0.390 29 HB2 PRO 4 HB2 PRO 4 4.879 0.569 -1.028 30 HB3 PRO 4 HB1 PRO 4 3.465 0.060 -0.105 31 HG2 PRO 4 HG2 PRO 4 3.710 -0.205 -2.831 32 HG3 PRO 4 HG1 PRO 4 2.164 -0.123 -1.971 33 HD2 PRO 4 HD2 PRO 4 3.649 2.056 -3.402 34 HD3 PRO 4 HD1 PRO 4 1.910 1.671 -3.427 35 H SER 5 HN SER 5 4.955 2.661 1.416 36 HA SER 5 HA SER 5 7.073 3.958 -0.165 37 HB2 SER 5 HB2 SER 5 5.995 5.363 1.638 38 HB3 SER 5 HB1 SER 5 6.574 4.195 2.822 39 HG SER 5 HG SER 5 8.156 5.796 1.084 40 H GLY 6 HN GLY 6 6.307 1.127 0.491 41 HA2 GLY 6 HA2 GLY 6 8.902 0.037 0.923 42 HA3 GLY 6 HA1 GLY 6 7.881 -0.139 2.344 43 HA PRO 7 HA PRO 7 7.010 -3.698 -0.517 44 HB2 PRO 7 HB2 PRO 7 7.350 -5.678 1.263 45 HB3 PRO 7 HB1 PRO 7 8.719 -4.921 0.439 46 HG2 PRO 7 HG2 PRO 7 7.644 -4.396 3.191 47 HG3 PRO 7 HG1 PRO 7 9.328 -4.615 2.677 48 HD2 PRO 7 HD2 PRO 7 8.224 -2.168 3.085 49 HD3 PRO 7 HD1 PRO 7 9.497 -2.458 1.886 50 H ASN 8 HN ASN 8 5.078 -2.001 0.951 51 HA ASN 8 HA ASN 8 2.862 -3.767 0.840 52 HB2 ASN 8 HB2 ASN 8 3.611 -4.530 2.996 53 HB3 ASN 8 HB1 ASN 8 3.788 -2.878 3.581 54 HD21 ASN 8 HD21 ASN 8 1.997 -1.767 4.280 55 HD22 ASN 8 HD22 ASN 8 0.449 -2.505 4.487 56 HA PRO 9 HA PRO 9 1.121 0.127 -0.288 57 HB2 PRO 9 HB2 PRO 9 -1.520 -0.520 0.346 58 HB3 PRO 9 HB1 PRO 9 -0.732 -0.791 -1.210 59 HG2 PRO 9 HG2 PRO 9 -1.225 -2.688 1.030 60 HG3 PRO 9 HG1 PRO 9 -1.212 -2.987 -0.716 61 HD2 PRO 9 HD2 PRO 9 0.820 -3.742 0.878 62 HD3 PRO 9 HD1 PRO 9 1.091 -3.195 -0.789 63 H LEU 10 HN LEU 10 1.581 1.737 1.040 64 HA LEU 10 HA LEU 10 0.909 1.704 3.819 65 HB2 LEU 10 HB2 LEU 10 2.957 2.785 2.995 66 HB3 LEU 10 HB1 LEU 10 1.993 3.932 2.089 67 HG LEU 10 HG LEU 10 1.082 4.816 4.212 68 HD11 LEU 10 HD11 LEU 10 2.156 4.184 6.324 69 HD12 LEU 10 HD12 LEU 10 3.056 2.924 5.481 70 HD13 LEU 10 HD13 LEU 10 1.299 2.830 5.590 71 HD21 LEU 10 HD21 LEU 10 3.123 5.956 4.928 72 HD22 LEU 10 HD22 LEU 10 3.015 5.873 3.169 73 HD23 LEU 10 HD23 LEU 10 4.092 4.780 4.039 74 H HIS 11 HN HIS 11 -1.222 1.786 4.219 75 HA HIS 11 HA HIS 11 -3.321 2.586 4.449 76 HB2 HIS 11 HB2 HIS 11 -2.235 5.066 3.102 77 HB3 HIS 11 HB1 HIS 11 -3.866 4.925 3.750 78 HD1 HIS 11 HD1 HIS 11 -0.753 6.279 4.654 79 HD2 HIS 11 HD2 HIS 11 -3.594 4.028 6.683 80 HE1 HIS 11 HE1 HIS 11 -0.299 6.664 7.097 81 HE2 HIS 11 HE2 HIS 11 -2.036 5.303 8.308 82 H ASN 12 HN ASN 12 -5.275 3.046 3.222 83 HA ASN 12 HA ASN 12 -6.730 2.584 1.551 84 HB2 ASN 12 HB2 ASN 12 -5.166 4.019 0.147 85 HB3 ASN 12 HB1 ASN 12 -4.423 2.523 -0.402 86 HD21 ASN 12 HD21 ASN 12 -7.851 2.960 0.245 87 HD22 ASN 12 HD22 ASN 12 -8.369 2.763 -1.392 88 H LYS 13 HN LYS 13 -4.200 0.678 2.474 89 HA LYS 13 HA LYS 13 -3.963 -1.548 2.783 90 HB2 LYS 13 HB2 LYS 13 -6.829 -1.773 1.860 91 HB3 LYS 13 HB1 LYS 13 -5.936 -2.932 2.831 92 HG2 LYS 13 HG2 LYS 13 -6.725 -0.154 3.674 93 HG3 LYS 13 HG1 LYS 13 -7.480 -1.658 4.195 94 HD2 LYS 13 HD2 LYS 13 -5.351 -2.347 5.211 95 HD3 LYS 13 HD1 LYS 13 -4.636 -0.815 4.708 96 HE2 LYS 13 HE2 LYS 13 -5.297 -0.694 7.035 97 HE3 LYS 13 HE1 LYS 13 -6.292 0.387 6.060 98 HZ1 LYS 13 HZ1 LYS 13 -8.038 -1.305 6.068 99 HZ2 LYS 13 HZ2 LYS 13 -7.642 -0.813 7.636 100 HZ3 LYS 13 HZ3 LYS 13 -7.082 -2.295 7.052 101 H LYS 14 HN LYS 14 -4.981 -3.765 1.445 102 HA LYS 14 HA LYS 14 -3.846 -3.370 -1.227 103 HB2 LYS 14 HB2 LYS 14 -3.167 -5.743 -1.194 104 HB3 LYS 14 HB1 LYS 14 -2.393 -4.805 0.068 105 HG2 LYS 14 HG2 LYS 14 -4.852 -6.405 0.653 106 HG3 LYS 14 HG1 LYS 14 -3.265 -7.168 0.596 107 HD2 LYS 14 HD2 LYS 14 -2.466 -5.586 2.296 108 HD3 LYS 14 HD1 LYS 14 -4.080 -4.880 2.383 109 HE2 LYS 14 HE2 LYS 14 -4.981 -7.046 3.091 110 HE3 LYS 14 HE1 LYS 14 -3.365 -7.742 3.009 111 HZ1 LYS 14 HZ1 LYS 14 -3.937 -7.157 5.268 112 HZ2 LYS 14 HZ2 LYS 14 -4.224 -5.553 4.818 113 HZ3 LYS 14 HZ3 LYS 14 -2.660 -6.186 4.730 Start of MODEL 9 1 H1 HIS 1 HT1 HIS 1 -1.131 -2.762 -4.859 2 H2 HIS 1 HT2 HIS 1 0.117 -3.894 -4.810 3 H3 HIS 1 HT3 HIS 1 0.146 -2.654 -5.958 4 HA HIS 1 HA HIS 1 0.343 -2.302 -3.025 5 HB2 HIS 1 HB2 HIS 1 2.383 -2.310 -5.235 6 HB3 HIS 1 HB1 HIS 1 2.648 -1.332 -3.801 7 HD1 HIS 1 HD1 HIS 1 4.085 -2.466 -2.171 8 HD2 HIS 1 HD2 HIS 1 1.797 -5.186 -4.327 9 HE1 HIS 1 HE1 HIS 1 4.701 -4.726 -1.263 10 HE2 HIS 1 HE2 HIS 1 3.453 -6.362 -2.723 11 H GLN 2 HN GLN 2 -1.409 -0.775 -3.175 12 HA GLN 2 HA GLN 2 -1.141 1.500 -4.910 13 HB2 GLN 2 HB2 GLN 2 -3.049 0.932 -2.643 14 HB3 GLN 2 HB1 GLN 2 -3.133 2.357 -3.672 15 HG2 GLN 2 HG2 GLN 2 -3.366 0.819 -5.629 16 HG3 GLN 2 HG1 GLN 2 -3.514 -0.510 -4.482 17 HE21 GLN 2 HE21 GLN 2 -5.006 2.344 -5.769 18 HE22 GLN 2 HE22 GLN 2 -6.583 2.064 -5.112 19 H VAL 3 HN VAL 3 0.127 3.112 -4.590 20 HA VAL 3 HA VAL 3 1.581 4.587 -3.625 21 HB VAL 3 HB VAL 3 -0.667 5.153 -1.711 22 HG11 VAL 3 HG11 VAL 3 1.369 6.467 -1.443 23 HG12 VAL 3 HG12 VAL 3 0.047 7.474 -2.032 24 HG13 VAL 3 HG13 VAL 3 1.305 6.933 -3.143 25 HG21 VAL 3 HG21 VAL 3 -1.676 4.800 -3.901 26 HG22 VAL 3 HG22 VAL 3 -0.524 5.923 -4.624 27 HG23 VAL 3 HG23 VAL 3 -1.715 6.508 -3.463 28 HA PRO 4 HA PRO 4 2.818 2.465 0.266 29 HB2 PRO 4 HB2 PRO 4 4.758 0.830 -0.962 30 HB3 PRO 4 HB1 PRO 4 3.179 0.318 -0.363 31 HG2 PRO 4 HG2 PRO 4 3.972 0.315 -3.037 32 HG3 PRO 4 HG1 PRO 4 2.301 0.231 -2.452 33 HD2 PRO 4 HD2 PRO 4 3.853 2.613 -3.411 34 HD3 PRO 4 HD1 PRO 4 2.154 2.173 -3.717 35 H SER 5 HN SER 5 4.993 2.419 1.254 36 HA SER 5 HA SER 5 7.007 4.013 -0.171 37 HB2 SER 5 HB2 SER 5 5.813 5.342 1.629 38 HB3 SER 5 HB1 SER 5 6.466 4.204 2.807 39 HG SER 5 HG SER 5 8.275 5.244 2.733 40 H GLY 6 HN GLY 6 6.572 1.200 0.029 41 HA2 GLY 6 HA2 GLY 6 8.931 0.007 0.363 42 HA3 GLY 6 HA1 GLY 6 8.381 0.149 2.029 43 HA PRO 7 HA PRO 7 6.796 -3.905 0.410 44 HB2 PRO 7 HB2 PRO 7 6.842 -5.079 2.895 45 HB3 PRO 7 HB1 PRO 7 8.198 -5.097 1.764 46 HG2 PRO 7 HG2 PRO 7 7.719 -3.312 4.115 47 HG3 PRO 7 HG1 PRO 7 9.223 -4.084 3.581 48 HD2 PRO 7 HD2 PRO 7 8.722 -1.492 3.093 49 HD3 PRO 7 HD1 PRO 7 9.593 -2.507 1.925 50 H ASN 8 HN ASN 8 4.754 -3.571 -0.010 51 HA ASN 8 HA ASN 8 2.563 -4.166 0.300 52 HB2 ASN 8 HB2 ASN 8 3.031 -5.333 2.381 53 HB3 ASN 8 HB1 ASN 8 3.134 -3.809 3.253 54 HD21 ASN 8 HD21 ASN 8 1.023 -6.136 1.781 55 HD22 ASN 8 HD22 ASN 8 -0.446 -5.531 2.464 56 HA PRO 9 HA PRO 9 1.116 -0.114 -0.512 57 HB2 PRO 9 HB2 PRO 9 -1.540 -0.614 0.342 58 HB3 PRO 9 HB1 PRO 9 -0.919 -0.708 -1.308 59 HG2 PRO 9 HG2 PRO 9 -1.367 -2.870 0.674 60 HG3 PRO 9 HG1 PRO 9 -1.470 -2.926 -1.093 61 HD2 PRO 9 HD2 PRO 9 0.590 -4.023 0.218 62 HD3 PRO 9 HD1 PRO 9 0.831 -3.196 -1.336 63 H LEU 10 HN LEU 10 1.372 1.625 0.739 64 HA LEU 10 HA LEU 10 1.731 1.140 3.500 65 HB2 LEU 10 HB2 LEU 10 3.180 2.673 2.235 66 HB3 LEU 10 HB1 LEU 10 1.823 3.762 2.012 67 HG LEU 10 HG LEU 10 1.731 4.033 4.505 68 HD11 LEU 10 HD11 LEU 10 2.869 1.986 5.141 69 HD12 LEU 10 HD12 LEU 10 3.707 3.394 5.796 70 HD13 LEU 10 HD13 LEU 10 4.356 2.559 4.385 71 HD21 LEU 10 HD21 LEU 10 2.780 5.704 3.085 72 HD22 LEU 10 HD22 LEU 10 4.300 4.813 3.136 73 HD23 LEU 10 HD23 LEU 10 3.656 5.542 4.607 74 H HIS 11 HN HIS 11 -0.828 2.103 1.641 75 HA HIS 11 HA HIS 11 -2.645 2.271 3.798 76 HB2 HIS 11 HB2 HIS 11 -3.441 4.619 3.351 77 HB3 HIS 11 HB1 HIS 11 -1.880 4.509 4.149 78 HD1 HIS 11 HD1 HIS 11 -0.099 5.905 3.179 79 HD2 HIS 11 HD2 HIS 11 -3.129 5.155 0.438 80 HE1 HIS 11 HE1 HIS 11 0.478 7.267 1.146 81 HE2 HIS 11 HE2 HIS 11 -1.481 6.961 -0.404 82 H ASN 12 HN ASN 12 -4.830 3.292 2.828 83 HA ASN 12 HA ASN 12 -6.586 2.891 1.464 84 HB2 ASN 12 HB2 ASN 12 -4.971 3.964 -0.257 85 HB3 ASN 12 HB1 ASN 12 -4.721 2.321 -0.835 86 HD21 ASN 12 HD21 ASN 12 -6.347 1.304 -1.977 87 HD22 ASN 12 HD22 ASN 12 -7.765 2.126 -2.521 88 H LYS 13 HN LYS 13 -5.001 0.836 2.878 89 HA LYS 13 HA LYS 13 -5.164 -1.366 3.351 90 HB2 LYS 13 HB2 LYS 13 -7.520 -1.228 1.469 91 HB3 LYS 13 HB1 LYS 13 -7.160 -2.586 2.524 92 HG2 LYS 13 HG2 LYS 13 -7.371 -1.067 4.469 93 HG3 LYS 13 HG1 LYS 13 -7.867 0.217 3.364 94 HD2 LYS 13 HD2 LYS 13 -9.758 -1.176 2.638 95 HD3 LYS 13 HD1 LYS 13 -9.264 -2.419 3.788 96 HE2 LYS 13 HE2 LYS 13 -9.538 -0.748 5.611 97 HE3 LYS 13 HE1 LYS 13 -10.181 0.380 4.421 98 HZ1 LYS 13 HZ1 LYS 13 -11.940 -1.251 3.943 99 HZ2 LYS 13 HZ2 LYS 13 -11.974 -0.715 5.546 100 HZ3 LYS 13 HZ3 LYS 13 -11.348 -2.243 5.180 101 H LYS 14 HN LYS 14 -5.746 -3.617 1.925 102 HA LYS 14 HA LYS 14 -4.068 -3.473 -0.476 103 HB2 LYS 14 HB2 LYS 14 -3.181 -5.781 0.208 104 HB3 LYS 14 HB1 LYS 14 -2.538 -4.383 1.048 105 HG2 LYS 14 HG2 LYS 14 -2.873 -5.958 2.722 106 HG3 LYS 14 HG1 LYS 14 -4.267 -4.889 2.857 107 HD2 LYS 14 HD2 LYS 14 -5.609 -6.506 1.591 108 HD3 LYS 14 HD1 LYS 14 -4.207 -7.569 1.480 109 HE2 LYS 14 HE2 LYS 14 -5.697 -8.291 3.265 110 HE3 LYS 14 HE1 LYS 14 -4.149 -7.754 3.917 111 HZ1 LYS 14 HZ1 LYS 14 -6.644 -6.142 3.853 112 HZ2 LYS 14 HZ2 LYS 14 -5.164 -5.642 4.498 113 HZ3 LYS 14 HZ3 LYS 14 -6.010 -6.916 5.216 Start of MODEL 10 1 H1 HIS 1 HT1 HIS 1 0.598 -3.793 -5.388 2 H2 HIS 1 HT2 HIS 1 0.812 -2.439 -6.375 3 H3 HIS 1 HT3 HIS 1 -0.654 -2.667 -5.558 4 HA HIS 1 HA HIS 1 0.402 -2.367 -3.448 5 HB2 HIS 1 HB2 HIS 1 2.834 -2.519 -5.132 6 HB3 HIS 1 HB1 HIS 1 2.875 -1.344 -3.829 7 HD1 HIS 1 HD1 HIS 1 4.568 -2.597 -2.400 8 HD2 HIS 1 HD2 HIS 1 1.225 -4.878 -3.353 9 HE1 HIS 1 HE1 HIS 1 4.669 -4.603 -0.880 10 HE2 HIS 1 HE2 HIS 1 2.579 -5.918 -1.414 11 H GLN 2 HN GLN 2 -1.023 -0.703 -3.374 12 HA GLN 2 HA GLN 2 -0.816 1.580 -5.081 13 HB2 GLN 2 HB2 GLN 2 -2.979 0.753 -4.328 14 HB3 GLN 2 HB1 GLN 2 -2.537 1.068 -2.655 15 HG2 GLN 2 HG2 GLN 2 -2.427 3.454 -3.134 16 HG3 GLN 2 HG1 GLN 2 -2.863 3.142 -4.811 17 HE21 GLN 2 HE21 GLN 2 -4.194 4.713 -2.718 18 HE22 GLN 2 HE22 GLN 2 -5.795 4.070 -2.593 19 H VAL 3 HN VAL 3 0.708 3.013 -4.846 20 HA VAL 3 HA VAL 3 2.418 4.221 -3.919 21 HB VAL 3 HB VAL 3 1.536 6.205 -2.759 22 HG11 VAL 3 HG11 VAL 3 0.108 6.959 -4.599 23 HG12 VAL 3 HG12 VAL 3 -0.062 5.289 -5.141 24 HG13 VAL 3 HG13 VAL 3 1.518 6.073 -5.182 25 HG21 VAL 3 HG21 VAL 3 -0.849 6.470 -2.377 26 HG22 VAL 3 HG22 VAL 3 -0.228 5.122 -1.424 27 HG23 VAL 3 HG23 VAL 3 -1.134 4.813 -2.903 28 HA PRO 4 HA PRO 4 2.762 2.265 0.282 29 HB2 PRO 4 HB2 PRO 4 4.888 0.606 -0.778 30 HB3 PRO 4 HB1 PRO 4 3.343 0.112 -0.083 31 HG2 PRO 4 HG2 PRO 4 3.912 -0.223 -2.698 32 HG3 PRO 4 HG1 PRO 4 2.270 0.124 -2.111 33 HD2 PRO 4 HD2 PRO 4 4.304 2.045 -3.233 34 HD3 PRO 4 HD1 PRO 4 2.591 1.845 -3.682 35 H SER 5 HN SER 5 5.616 2.584 -1.866 36 HA SER 5 HA SER 5 7.774 3.117 -1.412 37 HB2 SER 5 HB2 SER 5 6.595 4.811 0.813 38 HB3 SER 5 HB1 SER 5 8.234 4.939 0.175 39 HG SER 5 HG SER 5 7.397 5.629 -1.780 40 H GLY 6 HN GLY 6 6.858 0.754 -0.531 41 HA2 GLY 6 HA2 GLY 6 8.648 -0.078 1.444 42 HA3 GLY 6 HA1 GLY 6 7.091 0.198 2.216 43 HA PRO 7 HA PRO 7 7.141 -4.046 0.311 44 HB2 PRO 7 HB2 PRO 7 6.944 -5.546 2.512 45 HB3 PRO 7 HB1 PRO 7 8.488 -4.840 2.019 46 HG2 PRO 7 HG2 PRO 7 6.583 -3.940 4.138 47 HG3 PRO 7 HG1 PRO 7 8.354 -3.977 4.167 48 HD2 PRO 7 HD2 PRO 7 6.815 -1.730 3.643 49 HD3 PRO 7 HD1 PRO 7 8.515 -1.929 3.183 50 H ASN 8 HN ASN 8 4.876 -2.111 1.508 51 HA ASN 8 HA ASN 8 2.740 -3.760 0.599 52 HB2 ASN 8 HB2 ASN 8 1.457 -3.859 2.695 53 HB3 ASN 8 HB1 ASN 8 2.985 -4.724 2.837 54 HD21 ASN 8 HD21 ASN 8 4.560 -3.950 4.218 55 HD22 ASN 8 HD22 ASN 8 4.263 -2.693 5.368 56 HA PRO 9 HA PRO 9 1.214 0.239 -0.352 57 HB2 PRO 9 HB2 PRO 9 -1.485 -0.218 -0.344 58 HB3 PRO 9 HB1 PRO 9 -0.408 -0.691 -1.663 59 HG2 PRO 9 HG2 PRO 9 -1.487 -2.335 0.586 60 HG3 PRO 9 HG1 PRO 9 -1.312 -2.761 -1.125 61 HD2 PRO 9 HD2 PRO 9 0.426 -3.625 0.729 62 HD3 PRO 9 HD1 PRO 9 0.951 -3.202 -0.916 63 H LEU 10 HN LEU 10 1.287 1.860 1.006 64 HA LEU 10 HA LEU 10 0.487 1.584 3.733 65 HB2 LEU 10 HB2 LEU 10 1.811 3.673 2.104 66 HB3 LEU 10 HB1 LEU 10 0.974 4.220 3.543 67 HG LEU 10 HG LEU 10 3.338 3.866 3.999 68 HD11 LEU 10 HD11 LEU 10 3.147 2.454 5.949 69 HD12 LEU 10 HD12 LEU 10 1.660 1.745 5.325 70 HD13 LEU 10 HD13 LEU 10 1.700 3.448 5.783 71 HD21 LEU 10 HD21 LEU 10 2.831 1.005 3.197 72 HD22 LEU 10 HD22 LEU 10 4.312 1.618 3.932 73 HD23 LEU 10 HD23 LEU 10 3.829 2.174 2.330 74 H HIS 11 HN HIS 11 -1.522 1.683 4.383 75 HA HIS 11 HA HIS 11 -3.608 2.410 4.821 76 HB2 HIS 11 HB2 HIS 11 -2.725 4.867 3.308 77 HB3 HIS 11 HB1 HIS 11 -4.297 4.714 4.086 78 HD1 HIS 11 HD1 HIS 11 -4.349 4.773 6.678 79 HD2 HIS 11 HD2 HIS 11 -0.570 5.294 5.028 80 HE1 HIS 11 HE1 HIS 11 -2.898 5.608 8.556 81 HE2 HIS 11 HE2 HIS 11 -0.603 5.869 7.553 82 H ASN 12 HN ASN 12 -5.712 2.736 3.887 83 HA ASN 12 HA ASN 12 -7.372 2.243 2.426 84 HB2 ASN 12 HB2 ASN 12 -6.142 3.808 0.878 85 HB3 ASN 12 HB1 ASN 12 -5.315 2.408 0.210 86 HD21 ASN 12 HD21 ASN 12 -8.681 2.411 1.212 87 HD22 ASN 12 HD22 ASN 12 -9.336 2.227 -0.376 88 H LYS 13 HN LYS 13 -5.179 0.379 3.477 89 HA LYS 13 HA LYS 13 -4.811 -1.846 3.636 90 HB2 LYS 13 HB2 LYS 13 -7.394 -2.054 2.080 91 HB3 LYS 13 HB1 LYS 13 -6.598 -3.388 2.903 92 HG2 LYS 13 HG2 LYS 13 -7.672 -0.910 4.234 93 HG3 LYS 13 HG1 LYS 13 -8.465 -2.486 4.203 94 HD2 LYS 13 HD2 LYS 13 -6.595 -3.460 5.428 95 HD3 LYS 13 HD1 LYS 13 -5.765 -1.902 5.418 96 HE2 LYS 13 HE2 LYS 13 -7.585 -0.921 6.720 97 HE3 LYS 13 HE1 LYS 13 -8.425 -2.469 6.721 98 HZ1 LYS 13 HZ1 LYS 13 -5.768 -1.949 7.941 99 HZ2 LYS 13 HZ2 LYS 13 -6.583 -3.428 7.955 100 HZ3 LYS 13 HZ3 LYS 13 -7.223 -2.102 8.784 101 H LYS 14 HN LYS 14 -4.981 -3.993 2.048 102 HA LYS 14 HA LYS 14 -3.248 -3.213 -0.185 103 HB2 LYS 14 HB2 LYS 14 -3.631 -5.978 0.982 104 HB3 LYS 14 HB1 LYS 14 -2.406 -5.480 -0.172 105 HG2 LYS 14 HG2 LYS 14 -1.147 -5.456 1.707 106 HG3 LYS 14 HG1 LYS 14 -1.770 -3.810 1.783 107 HD2 LYS 14 HD2 LYS 14 -1.995 -4.772 3.949 108 HD3 LYS 14 HD1 LYS 14 -3.608 -4.655 3.247 109 HE2 LYS 14 HE2 LYS 14 -3.223 -6.809 4.391 110 HE3 LYS 14 HE1 LYS 14 -3.574 -7.004 2.675 111 HZ1 LYS 14 HZ1 LYS 14 -0.856 -7.041 3.870 112 HZ2 LYS 14 HZ2 LYS 14 -1.234 -7.311 2.245 113 HZ3 LYS 14 HZ3 LYS 14 -1.736 -8.411 3.425
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