NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
629794 | 5v2b | 30265 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 -11.226 -5.213 1.822 2 HA SER 1 HA SER 1 -9.576 -4.666 -0.700 3 HB2 SER 1 HB2 SER 1 -10.295 -7.102 -0.137 4 HB3 SER 1 HB3 SER 1 -11.968 -6.598 -0.437 5 HG SER 1 HG SER 1 -11.278 -5.901 -2.513 6 H ASP 2 H ASP 2 -10.962 -2.594 0.653 7 HA ASP 2 HA ASP 2 -12.355 -1.383 -1.552 8 HB2 ASP 2 HB2 ASP 2 -14.290 -2.933 -0.445 9 HB3 ASP 2 HB3 ASP 2 -14.281 -1.776 0.852 10 HD2 ASP 2 HD2 ASP 2 -15.051 -2.446 -2.292 11 H THR 3 H THR 3 -10.343 -0.239 -0.877 12 HA THR 3 HA THR 3 -10.968 2.058 0.873 13 HB THR 3 HB THR 3 -9.500 0.067 1.898 14 HG1 THR 3 HG1 THR 3 -10.128 2.012 2.824 15 HG21 THR 3 HG21 THR 3 -7.072 0.603 1.874 16 HG22 THR 3 HG22 THR 3 -7.651 0.047 0.262 17 HG23 THR 3 HG23 THR 3 -7.302 1.743 0.554 18 H ARG 4 H ARG 4 -11.681 2.468 -1.232 19 HA ARG 4 HA ARG 4 -9.907 3.266 -3.327 20 HB2 ARG 4 HB2 ARG 4 -12.728 4.454 -2.710 21 HB3 ARG 4 HB3 ARG 4 -11.807 4.874 -4.127 22 HG2 ARG 4 HG3 ARG 4 -13.266 3.285 -4.951 23 HG3 ARG 4 HG2 ARG 4 -11.756 2.399 -4.817 24 HD2 ARG 4 HD3 ARG 4 -12.633 1.339 -2.623 25 HD3 ARG 4 HD2 ARG 4 -14.108 2.268 -2.804 26 HH11 ARG 4 HH11 ARG 4 -14.917 -0.985 -5.614 27 HH12 ARG 4 HH12 ARG 4 -13.473 -2.117 -5.632 28 HH21 ARG 4 HH21 ARG 4 -11.533 -0.056 -3.681 29 HH22 ARG 4 HH22 ARG 4 -11.686 -1.629 -4.612 30 H TYR 5 H TYR 5 -11.058 5.244 -0.654 31 HA TYR 5 HA TYR 5 -9.342 7.523 -1.562 32 HB2 TYR 5 HB2 TYR 5 -11.748 7.896 -0.709 33 HB3 TYR 5 HB3 TYR 5 -11.196 7.451 0.888 34 HD1 TYR 5 HD1 TYR 5 -10.380 9.238 2.316 35 HD2 TYR 5 HD2 TYR 5 -10.513 9.901 -1.935 36 HE1 TYR 5 HE1 TYR 5 -9.814 11.602 2.659 37 HE2 TYR 5 HE2 TYR 5 -9.945 12.265 -1.576 38 HH TYR 5 HH TYR 5 -9.481 13.848 -0.090 39 H ASN 6 H ASN 6 -8.356 4.966 -0.535 40 HA ASN 6 HA ASN 6 -6.095 5.937 1.123 41 HB2 ASN 6 HB2 ASN 6 -7.881 4.889 2.440 42 HB3 ASN 6 HB3 ASN 6 -7.582 3.450 1.576 43 HD21 ASN 6 HD21 ASN 6 -4.645 4.490 4.319 44 HD22 ASN 6 HD22 ASN 6 -5.527 5.792 3.373 45 H LYS 7 H LYS 7 -7.080 3.449 -1.226 46 HA LYS 7 HA LYS 7 -5.918 2.517 -3.030 47 HB2 LYS 7 HB3 LYS 7 -3.672 4.461 -2.504 48 HB3 LYS 7 HB2 LYS 7 -3.846 3.407 -3.896 49 HG2 LYS 7 HG2 LYS 7 -5.782 5.666 -3.095 50 HG3 LYS 7 HG3 LYS 7 -4.544 5.794 -4.322 51 HD2 LYS 7 HD2 LYS 7 -7.002 3.929 -4.453 52 HD3 LYS 7 HD3 LYS 7 -6.872 5.505 -5.211 53 HE2 LYS 7 HE3 LYS 7 -4.939 4.677 -6.651 54 HE3 LYS 7 HE2 LYS 7 -5.089 3.073 -5.918 55 HZ2 LYS 7 HZ2 LYS 7 -6.267 3.175 -7.980 56 HZ3 LYS 7 HZ3 LYS 7 -7.335 2.928 -6.767 57 H SER 8 H SER 8 -6.079 0.690 -1.257 58 HA SER 8 HA SER 8 -5.190 -0.861 0.302 59 HB2 SER 8 HB3 SER 8 -5.055 -1.858 -1.738 60 HB3 SER 8 HB2 SER 8 -3.698 -0.859 -2.237 61 HG SER 8 HG SER 8 -3.113 -3.002 -1.678 62 H PHE 9 H PHE 9 -4.567 1.376 1.704 63 HA PHE 9 HA PHE 9 -3.162 2.402 3.154 64 HB2 PHE 9 HB2 PHE 9 -3.392 0.059 3.967 65 HB3 PHE 9 HB3 PHE 9 -1.795 -0.234 3.317 66 HD1 PHE 9 HD1 PHE 9 -0.327 -0.515 5.167 67 HD2 PHE 9 HD2 PHE 9 -3.281 2.612 5.421 68 HE1 PHE 9 HE1 PHE 9 0.518 0.124 7.382 69 HE2 PHE 9 HE2 PHE 9 -2.400 3.248 7.621 70 HZ PHE 9 HZ PHE 9 -0.505 2.008 8.610 71 H ILE 10 H ILE 10 -2.542 3.250 0.640 72 HA ILE 10 HA ILE 10 -0.960 4.548 -0.478 73 HB ILE 10 HB ILE 10 0.750 4.402 1.932 74 HG12 ILE 10 HG12 ILE 10 -1.049 6.745 1.034 75 HG13 ILE 10 HG13 ILE 10 -1.644 5.489 2.111 76 HG21 ILE 10 HG21 ILE 10 1.887 6.473 1.005 77 HG22 ILE 10 HG22 ILE 10 0.934 6.317 -0.489 78 HG23 ILE 10 HG23 ILE 10 2.139 5.090 -0.051 79 HD11 ILE 10 HD11 ILE 10 0.708 7.369 2.775 80 HD12 ILE 10 HD12 ILE 10 0.131 6.043 3.819 81 HD13 ILE 10 HD13 ILE 10 -0.935 7.417 3.449 82 H ASN 11 H ASN 11 -1.017 2.348 -1.919 83 HA ASN 11 HA ASN 11 -0.113 0.330 -2.742 84 HB2 ASN 11 HB2 ASN 11 0.472 2.149 -4.059 85 HB3 ASN 11 HB3 ASN 11 1.744 2.609 -2.983 86 HD21 ASN 11 HD21 ASN 11 2.468 -0.474 -5.682 87 HD22 ASN 11 HD22 ASN 11 0.784 -0.204 -5.004 88 H ASN 12 H ASN 12 -0.203 -0.408 -0.147 89 HA ASN 12 HA ASN 12 0.759 -1.645 1.553 90 HB2 ASN 12 HB2 ASN 12 0.835 -3.094 -0.458 91 HB3 ASN 12 HB3 ASN 12 2.536 -2.695 -0.593 92 HD21 ASN 12 HD21 ASN 12 1.374 -5.377 2.324 93 HD22 ASN 12 HD22 ASN 12 0.153 -4.311 1.464 94 H LYS 13 H LYS 13 1.549 0.953 1.894 95 HA LYS 13 HA LYS 13 3.161 2.325 2.901 96 HB2 LYS 13 HB3 LYS 13 4.244 -0.328 3.944 97 HB3 LYS 13 HB2 LYS 13 4.930 1.208 4.409 98 HG2 LYS 13 HG3 LYS 13 1.933 0.696 4.835 99 HG3 LYS 13 HG2 LYS 13 3.127 0.021 5.913 100 HD2 LYS 13 HD3 LYS 13 2.384 2.011 6.966 101 HD3 LYS 13 HD2 LYS 13 4.035 2.275 6.463 102 HE2 LYS 13 HE3 LYS 13 2.740 4.313 6.139 103 HE3 LYS 13 HE2 LYS 13 3.268 3.741 4.568 104 HZ2 LYS 13 HZ2 LYS 13 1.034 2.775 4.268 105 HZ3 LYS 13 HZ3 LYS 13 0.565 3.318 5.736 106 H HIS 14 H HIS 14 3.472 2.174 0.207 107 HA HIS 14 HA HIS 14 4.916 2.222 -1.630 108 HB2 HIS 14 HB2 HIS 14 5.537 4.178 -0.116 109 HB3 HIS 14 HB3 HIS 14 6.980 3.286 0.352 110 HD2 HIS 14 HD2 HIS 14 7.834 5.722 -0.812 111 HE1 HIS 14 HE2 HIS 14 7.838 4.214 -4.697 112 HE2 HIS 14 HE3 HIS 14 8.751 6.169 -3.291 113 H LEU 15 H LEU 15 4.556 -0.405 -0.847 114 HA LEU 15 HA LEU 15 5.482 -2.525 -0.938 115 HB2 LEU 15 HB3 LEU 15 7.523 -1.149 -2.735 116 HB3 LEU 15 HB2 LEU 15 7.701 -2.825 -2.312 117 HG LEU 15 HG LEU 15 6.740 -2.588 -4.490 118 HD11 LEU 15 HD21 LEU 15 6.017 -4.643 -3.006 119 HD12 LEU 15 HD22 LEU 15 4.554 -3.768 -2.545 120 HD13 LEU 15 HD23 LEU 15 4.789 -4.241 -4.226 121 HD21 LEU 15 HD11 LEU 15 5.482 -0.457 -4.206 122 HD22 LEU 15 HD12 LEU 15 4.233 -1.299 -3.254 123 HD23 LEU 15 HD13 LEU 15 4.485 -1.725 -4.962 124 H ASN 16 H ASN 16 5.764 -1.259 1.512 125 HA ASN 16 HA ASN 16 6.953 -1.196 3.487 126 HB2 ASN 16 HB3 ASN 16 6.559 -3.603 3.055 127 HB3 ASN 16 HB2 ASN 16 8.219 -3.718 2.497 128 HD21 ASN 16 HD21 ASN 16 7.527 -3.477 6.559 129 HD22 ASN 16 HD22 ASN 16 6.207 -3.118 5.335 130 H GLU 17 H GLU 17 7.880 0.645 1.650 131 HA GLU 17 HA GLU 17 9.611 2.076 1.167 132 HB2 GLU 17 HB3 GLU 17 11.013 0.896 3.526 133 HB3 GLU 17 HB2 GLU 17 11.556 2.332 2.681 134 HG2 GLU 17 HG2 GLU 17 9.462 3.557 3.244 135 HG3 GLU 17 HG3 GLU 17 8.757 2.115 3.961 136 HE2 GLU 17 HE2 GLU 17 11.490 4.360 5.936 137 H HIS 18 H HIS 18 9.398 0.005 -0.591 138 HA HIS 18 HA HIS 18 10.416 -1.174 -2.242 139 HB2 HIS 18 HB2 HIS 18 11.220 1.175 -2.564 140 HB3 HIS 18 HB3 HIS 18 12.793 0.720 -1.917 141 HD2 HIS 18 HD2 HIS 18 13.211 1.691 -4.544 142 HE1 HIS 18 HE2 HIS 18 12.577 -2.014 -6.343 143 HE2 HIS 18 HE3 HIS 18 13.590 0.308 -6.808 144 H ALA 19 H ALA 19 10.445 -3.129 -1.198 145 HA ALA 19 HA ALA 19 13.029 -4.406 -0.859 146 HB1 ALA 19 HB1 ALA 19 11.385 -4.140 1.758 147 HB2 ALA 19 HB2 ALA 19 12.805 -5.192 1.534 148 HB3 ALA 19 HB3 ALA 19 12.987 -3.430 1.445 149 H HIS 20 H HIS 20 12.344 -5.870 -2.312 150 HA HIS 20 HA HIS 20 9.769 -7.195 -2.277 151 HB2 HIS 20 HB3 HIS 20 11.204 -6.718 -4.326 152 HB3 HIS 20 HB2 HIS 20 12.230 -8.064 -3.878 153 HD2 HIS 20 HD2 HIS 20 11.257 -8.595 -6.472 154 HE1 HIS 20 HE2 HIS 20 7.718 -10.351 -5.153 155 HE2 HIS 20 HE3 HIS 20 9.216 -10.148 -7.237 156 HC HIS 20 HC HIS 20 12.000 -9.211 -1.329 Start of MODEL 2 1 H1 SER 1 H SER 1 -14.556 -2.440 1.456 2 HA SER 1 HA SER 1 -11.737 -3.556 1.839 3 HB2 SER 1 HB3 SER 1 -13.770 -4.830 2.777 4 HB3 SER 1 HB2 SER 1 -14.290 -5.107 1.103 5 HG SER 1 HG SER 1 -13.009 -6.776 1.944 6 H ASP 2 H ASP 2 -12.319 -1.587 -0.142 7 HA ASP 2 HA ASP 2 -10.957 -2.791 -2.408 8 HB2 ASP 2 HB3 ASP 2 -13.548 -3.410 -2.878 9 HB3 ASP 2 HB2 ASP 2 -13.783 -1.705 -3.137 10 HD2 ASP 2 HD2 ASP 2 -12.090 -4.475 -4.103 11 H THR 3 H THR 3 -9.728 -1.073 -1.159 12 HA THR 3 HA THR 3 -9.709 1.453 -2.685 13 HB THR 3 HB THR 3 -11.085 1.521 -0.493 14 HG1 THR 3 HG1 THR 3 -8.992 3.357 -1.026 15 HG21 THR 3 HG21 THR 3 -9.953 2.178 1.554 16 HG22 THR 3 HG22 THR 3 -9.351 0.555 1.088 17 HG23 THR 3 HG23 THR 3 -8.369 2.001 0.823 18 H ARG 4 H ARG 4 -8.185 -0.306 -3.593 19 HA ARG 4 HA ARG 4 -5.623 -0.679 -2.395 20 HB2 ARG 4 HB3 ARG 4 -5.981 -0.165 -5.452 21 HB3 ARG 4 HB2 ARG 4 -4.640 -1.014 -4.732 22 HG2 ARG 4 HG3 ARG 4 -7.551 -1.990 -4.890 23 HG3 ARG 4 HG2 ARG 4 -6.198 -2.538 -5.863 24 HD2 ARG 4 HD2 ARG 4 -5.090 -3.544 -3.829 25 HD3 ARG 4 HD3 ARG 4 -6.420 -2.953 -2.808 26 HH11 ARG 4 HH11 ARG 4 -8.214 -6.529 -4.655 27 HH12 ARG 4 HH12 ARG 4 -7.836 -7.418 -3.095 28 HH21 ARG 4 HH21 ARG 4 -6.616 -6.544 -1.603 29 HH22 ARG 4 HH22 ARG 4 -5.904 -4.868 -1.834 30 H TYR 5 H TYR 5 -6.663 2.252 -3.747 31 HA TYR 5 HA TYR 5 -3.946 3.435 -3.383 32 HB2 TYR 5 HB3 TYR 5 -5.508 3.919 -5.470 33 HB3 TYR 5 HB2 TYR 5 -6.421 4.950 -4.406 34 HD1 TYR 5 HD1 TYR 5 -5.590 7.245 -4.000 35 HD2 TYR 5 HD2 TYR 5 -3.022 4.381 -5.931 36 HE1 TYR 5 HE1 TYR 5 -4.005 9.034 -4.562 37 HE2 TYR 5 HE2 TYR 5 -1.447 6.181 -6.489 38 HH TYR 5 HH TYR 5 -0.992 8.349 -6.343 39 H ASN 6 H ASN 6 -5.965 2.701 -1.256 40 HA ASN 6 HA ASN 6 -4.950 4.515 0.827 41 HB2 ASN 6 HB2 ASN 6 -7.072 5.380 -0.333 42 HB3 ASN 6 HB3 ASN 6 -7.851 4.070 0.475 43 HD21 ASN 6 HD21 ASN 6 -6.749 7.401 2.690 44 HD22 ASN 6 HD22 ASN 6 -5.988 7.040 1.059 45 H LYS 7 H LYS 7 -5.851 1.199 0.170 46 HA LYS 7 HA LYS 7 -6.834 0.078 2.339 47 HB2 LYS 7 HB2 LYS 7 -4.396 -0.741 0.651 48 HB3 LYS 7 HB3 LYS 7 -4.874 -1.797 1.941 49 HG2 LYS 7 HG3 LYS 7 -6.479 -1.073 -0.523 50 HG3 LYS 7 HG2 LYS 7 -5.769 -2.616 -0.161 51 HD2 LYS 7 HD2 LYS 7 -8.135 -1.321 1.333 52 HD3 LYS 7 HD3 LYS 7 -8.269 -2.457 0.010 53 HE2 LYS 7 HE3 LYS 7 -7.063 -4.236 1.398 54 HE3 LYS 7 HE2 LYS 7 -6.956 -3.094 2.747 55 HZ2 LYS 7 HZ2 LYS 7 -9.387 -2.977 2.750 56 HZ3 LYS 7 HZ3 LYS 7 -9.485 -4.031 1.505 57 H SER 8 H SER 8 -3.558 0.396 2.188 58 HA SER 8 HA SER 8 -3.198 1.145 5.127 59 HB2 SER 8 HB3 SER 8 -2.642 -1.239 4.514 60 HB3 SER 8 HB2 SER 8 -1.317 -0.589 3.561 61 HG SER 8 HG SER 8 -1.719 -0.134 6.326 62 H PHE 9 H PHE 9 -3.540 3.426 3.717 63 HA PHE 9 HA PHE 9 -2.832 5.136 2.388 64 HB2 PHE 9 HB3 PHE 9 -1.683 5.395 4.546 65 HB3 PHE 9 HB2 PHE 9 -0.289 4.592 3.859 66 HD1 PHE 9 HD1 PHE 9 -2.155 7.198 1.825 67 HD2 PHE 9 HD2 PHE 9 1.147 6.453 4.496 68 HE1 PHE 9 HE1 PHE 9 -1.220 9.401 1.305 69 HE2 PHE 9 HE2 PHE 9 2.052 8.672 3.968 70 HZ PHE 9 HZ PHE 9 0.879 10.149 2.373 71 H ILE 10 H ILE 10 -3.142 3.169 0.634 72 HA ILE 10 HA ILE 10 -2.691 2.632 -1.494 73 HB ILE 10 HB ILE 10 -0.107 4.111 -1.496 74 HG12 ILE 10 HG12 ILE 10 -2.664 5.164 -2.775 75 HG13 ILE 10 HG13 ILE 10 -2.402 5.427 -1.060 76 HG21 ILE 10 HG21 ILE 10 -0.186 2.486 -3.386 77 HG22 ILE 10 HG22 ILE 10 -0.342 4.128 -4.016 78 HG23 ILE 10 HG23 ILE 10 -1.780 3.090 -3.879 79 HD11 ILE 10 HD11 ILE 10 -0.258 6.674 -1.556 80 HD12 ILE 10 HD12 ILE 10 -0.508 6.413 -3.304 81 HD13 ILE 10 HD13 ILE 10 -1.658 7.402 -2.376 82 H ASN 11 H ASN 11 -2.569 0.283 -0.364 83 HA ASN 11 HA ASN 11 -1.419 -1.609 0.457 84 HB2 ASN 11 HB2 ASN 11 -1.971 -1.833 -1.771 85 HB3 ASN 11 HB3 ASN 11 -0.611 -0.893 -2.278 86 HD21 ASN 11 HD21 ASN 11 0.080 -4.865 -1.216 87 HD22 ASN 11 HD22 ASN 11 -1.149 -3.860 -0.295 88 H ASN 12 H ASN 12 -0.348 0.111 2.177 89 HA ASN 12 HA ASN 12 1.418 0.638 3.506 90 HB2 ASN 12 HB3 ASN 12 1.330 -1.831 3.563 91 HB3 ASN 12 HB2 ASN 12 2.698 -1.838 2.464 92 HD21 ASN 12 HD21 ASN 12 3.363 -0.926 6.435 93 HD22 ASN 12 HD22 ASN 12 1.671 -0.951 5.726 94 H LYS 13 H LYS 13 1.387 2.402 1.401 95 HA LYS 13 HA LYS 13 2.755 3.893 0.177 96 HB2 LYS 13 HB3 LYS 13 4.721 3.098 2.363 97 HB3 LYS 13 HB2 LYS 13 5.233 4.155 1.082 98 HG2 LYS 13 HG3 LYS 13 2.654 4.886 2.573 99 HG3 LYS 13 HG2 LYS 13 4.197 5.085 3.369 100 HD2 LYS 13 HD2 LYS 13 3.604 7.201 2.369 101 HD3 LYS 13 HD3 LYS 13 5.055 6.574 1.622 102 HE2 LYS 13 HE2 LYS 13 3.716 7.627 -0.093 103 HE3 LYS 13 HE3 LYS 13 3.753 5.902 -0.433 104 HZ2 LYS 13 HZ2 LYS 13 1.556 6.784 -0.693 105 HZ3 LYS 13 HZ3 LYS 13 1.545 5.716 0.544 106 H HIS 14 H HIS 14 2.229 1.602 -1.186 107 HA HIS 14 HA HIS 14 2.906 0.061 -2.795 108 HB2 HIS 14 HB2 HIS 14 3.358 2.376 -3.746 109 HB3 HIS 14 HB3 HIS 14 5.075 2.097 -3.475 110 HD2 HIS 14 HD2 HIS 14 4.720 2.548 -6.249 111 HE1 HIS 14 HE2 HIS 14 3.942 -1.456 -7.103 112 HE2 HIS 14 HE3 HIS 14 4.611 0.756 -8.239 113 H LEU 15 H LEU 15 3.609 -0.890 -0.302 114 HA LEU 15 HA LEU 15 5.070 -2.294 0.824 115 HB2 LEU 15 HB3 LEU 15 5.914 -3.052 -2.007 116 HB3 LEU 15 HB2 LEU 15 6.717 -3.742 -0.630 117 HG LEU 15 HG LEU 15 5.092 -5.253 -1.522 118 HD11 LEU 15 HD11 LEU 15 3.928 -5.895 0.679 119 HD12 LEU 15 HD12 LEU 15 4.112 -4.259 1.307 120 HD13 LEU 15 HD13 LEU 15 5.542 -5.268 1.074 121 HD21 LEU 15 HD21 LEU 15 3.401 -3.637 -2.392 122 HD22 LEU 15 HD22 LEU 15 2.840 -3.313 -0.734 123 HD23 LEU 15 HD23 LEU 15 2.658 -4.938 -1.429 124 H ASN 16 H ASN 16 5.727 0.407 0.978 125 HA ASN 16 HA ASN 16 7.407 1.918 1.443 126 HB2 ASN 16 HB2 ASN 16 7.623 0.180 3.191 127 HB3 ASN 16 HB3 ASN 16 8.976 -0.481 2.290 128 HD21 ASN 16 HD21 ASN 16 9.574 2.970 4.472 129 HD22 ASN 16 HD22 ASN 16 7.890 2.317 4.145 130 H GLU 17 H GLU 17 7.109 1.470 -1.261 131 HA GLU 17 HA GLU 17 8.088 1.782 -3.314 132 HB2 GLU 17 HB3 GLU 17 10.463 2.823 -1.831 133 HB3 GLU 17 HB2 GLU 17 10.254 2.960 -3.566 134 HG2 GLU 17 HG3 GLU 17 8.196 4.335 -3.296 135 HG3 GLU 17 HG2 GLU 17 8.218 4.108 -1.552 136 HE2 GLU 17 HE2 GLU 17 10.659 6.769 -3.388 137 H HIS 18 H HIS 18 7.938 -0.840 -2.567 138 HA HIS 18 HA HIS 18 8.667 -2.953 -2.964 139 HB2 HIS 18 HB3 HIS 18 8.574 -1.885 -5.228 140 HB3 HIS 18 HB2 HIS 18 10.331 -1.783 -5.245 141 HD2 HIS 18 HD2 HIS 18 9.556 -3.340 -7.479 142 HE1 HIS 18 HE2 HIS 18 9.513 -6.924 -5.354 143 HE2 HIS 18 HE3 HIS 18 9.571 -6.005 -7.759 144 H ALA 19 H ALA 19 9.625 -3.295 -0.995 145 HA ALA 19 HA ALA 19 12.434 -4.017 -1.000 146 HB1 ALA 19 HB1 ALA 19 13.254 -2.560 0.896 147 HB2 ALA 19 HB2 ALA 19 12.856 -1.594 -0.537 148 HB3 ALA 19 HB3 ALA 19 11.738 -1.625 0.848 149 H HIS 20 H HIS 20 11.791 -5.988 -0.351 150 HA HIS 20 HA HIS 20 9.896 -6.522 1.774 151 HB2 HIS 20 HB3 HIS 20 10.369 -7.998 -0.246 152 HB3 HIS 20 HB2 HIS 20 11.841 -8.536 0.535 153 HD2 HIS 20 HD2 HIS 20 10.284 -10.835 0.036 154 HE1 HIS 20 HE2 HIS 20 8.075 -10.516 3.553 155 HE2 HIS 20 HE3 HIS 20 8.676 -12.190 1.691 156 HC HIS 20 HC HIS 20 12.812 -7.168 2.782 Start of MODEL 3 1 H1 SER 1 H SER 1 -10.993 -5.317 1.662 2 HA SER 1 HA SER 1 -9.485 -4.572 -0.899 3 HB2 SER 1 HB3 SER 1 -10.092 -7.059 -0.441 4 HB3 SER 1 HB2 SER 1 -11.794 -6.602 -0.633 5 HG SER 1 HG SER 1 -9.700 -6.181 -2.512 6 H ASP 2 H ASP 2 -10.866 -2.629 0.633 7 HA ASP 2 HA ASP 2 -12.417 -1.354 -1.447 8 HB2 ASP 2 HB3 ASP 2 -14.239 -3.001 -0.318 9 HB3 ASP 2 HB2 ASP 2 -14.122 -1.977 1.083 10 HD2 ASP 2 HD2 ASP 2 -14.709 -2.018 -2.274 11 H THR 3 H THR 3 -10.355 -0.213 -0.818 12 HA THR 3 HA THR 3 -10.960 2.052 0.974 13 HB THR 3 HB THR 3 -9.470 0.055 1.956 14 HG1 THR 3 HG1 THR 3 -10.087 1.988 2.914 15 HG21 THR 3 HG21 THR 3 -7.044 0.594 1.900 16 HG22 THR 3 HG22 THR 3 -7.297 1.749 0.597 17 HG23 THR 3 HG23 THR 3 -7.649 0.057 0.291 18 H ARG 4 H ARG 4 -11.708 2.485 -1.117 19 HA ARG 4 HA ARG 4 -9.964 3.292 -3.235 20 HB2 ARG 4 HB2 ARG 4 -12.766 4.489 -2.560 21 HB3 ARG 4 HB3 ARG 4 -11.875 4.903 -3.997 22 HG2 ARG 4 HG3 ARG 4 -13.419 3.313 -4.742 23 HG3 ARG 4 HG2 ARG 4 -11.879 2.489 -4.752 24 HD2 ARG 4 HD2 ARG 4 -13.596 0.940 -3.978 25 HD3 ARG 4 HD3 ARG 4 -12.508 1.235 -2.654 26 HH11 ARG 4 HH11 ARG 4 -15.454 1.465 -4.618 27 HH12 ARG 4 HH12 ARG 4 -17.171 1.817 -4.077 28 HH21 ARG 4 HH21 ARG 4 -16.214 2.823 -0.928 29 HH22 ARG 4 HH22 ARG 4 -17.570 2.533 -2.130 30 H TYR 5 H TYR 5 -11.070 5.252 -0.529 31 HA TYR 5 HA TYR 5 -9.372 7.538 -1.452 32 HB2 TYR 5 HB2 TYR 5 -11.765 7.906 -0.561 33 HB3 TYR 5 HB3 TYR 5 -11.189 7.452 1.025 34 HD1 TYR 5 HD1 TYR 5 -10.352 9.230 2.451 35 HD2 TYR 5 HD2 TYR 5 -10.549 9.919 -1.794 36 HE1 TYR 5 HE1 TYR 5 -9.781 11.592 2.800 37 HE2 TYR 5 HE2 TYR 5 -9.976 12.280 -1.429 38 HH TYR 5 HH TYR 5 -9.407 13.564 1.849 39 H ASN 6 H ASN 6 -8.371 4.976 -0.455 40 HA ASN 6 HA ASN 6 -6.085 5.937 1.175 41 HB2 ASN 6 HB2 ASN 6 -7.849 4.882 2.513 42 HB3 ASN 6 HB3 ASN 6 -7.570 3.449 1.634 43 HD21 ASN 6 HD21 ASN 6 -4.581 4.460 4.332 44 HD22 ASN 6 HD22 ASN 6 -5.470 5.771 3.406 45 H LYS 7 H LYS 7 -7.104 3.462 -1.173 46 HA LYS 7 HA LYS 7 -5.970 2.543 -3.001 47 HB2 LYS 7 HB2 LYS 7 -3.719 4.487 -2.499 48 HB3 LYS 7 HB3 LYS 7 -3.914 3.441 -3.894 49 HG2 LYS 7 HG2 LYS 7 -5.840 5.692 -3.051 50 HG3 LYS 7 HG3 LYS 7 -4.620 5.828 -4.295 51 HD2 LYS 7 HD2 LYS 7 -7.086 3.979 -4.379 52 HD3 LYS 7 HD3 LYS 7 -6.968 5.528 -5.168 53 HE2 LYS 7 HE3 LYS 7 -5.214 3.073 -5.874 54 HE3 LYS 7 HE2 LYS 7 -6.677 3.556 -6.723 55 HZ2 LYS 7 HZ2 LYS 7 -4.754 4.349 -7.864 56 HZ3 LYS 7 HZ3 LYS 7 -5.629 5.626 -7.340 57 H SER 8 H SER 8 -6.102 0.704 -1.242 58 HA SER 8 HA SER 8 -5.189 -0.860 0.288 59 HB2 SER 8 HB2 SER 8 -5.079 -1.839 -1.762 60 HB3 SER 8 HB3 SER 8 -3.732 -0.832 -2.270 61 HG SER 8 HG SER 8 -3.692 -2.839 -0.247 62 H PHE 9 H PHE 9 -4.554 1.360 1.708 63 HA PHE 9 HA PHE 9 -3.139 2.361 3.160 64 HB2 PHE 9 HB3 PHE 9 -3.337 0.004 3.929 65 HB3 PHE 9 HB2 PHE 9 -1.752 -0.272 3.239 66 HD1 PHE 9 HD1 PHE 9 -2.918 2.721 5.339 67 HD2 PHE 9 HD2 PHE 9 -0.543 -0.874 5.200 68 HE1 PHE 9 HE1 PHE 9 -2.046 3.196 7.578 69 HE2 PHE 9 HE2 PHE 9 0.296 -0.387 7.454 70 HZ PHE 9 HZ PHE 9 -0.450 1.643 8.650 71 H ILE 10 H ILE 10 -2.548 3.219 0.629 72 HA ILE 10 HA ILE 10 -0.989 4.545 -0.498 73 HB ILE 10 HB ILE 10 0.798 4.363 1.855 74 HG12 ILE 10 HG13 ILE 10 -1.015 6.754 1.148 75 HG13 ILE 10 HG12 ILE 10 -1.626 5.430 2.130 76 HG21 ILE 10 HG21 ILE 10 1.858 6.484 0.952 77 HG22 ILE 10 HG22 ILE 10 2.086 5.138 -0.159 78 HG23 ILE 10 HG23 ILE 10 0.845 6.359 -0.505 79 HD11 ILE 10 HD11 ILE 10 -0.845 7.235 3.607 80 HD12 ILE 10 HD12 ILE 10 0.183 5.803 3.853 81 HD13 ILE 10 HD13 ILE 10 0.788 7.189 2.906 82 H ASN 11 H ASN 11 -1.058 2.329 -1.941 83 HA ASN 11 HA ASN 11 -0.136 0.312 -2.780 84 HB2 ASN 11 HB2 ASN 11 0.419 2.118 -4.122 85 HB3 ASN 11 HB3 ASN 11 1.682 2.617 -3.054 86 HD21 ASN 11 HD21 ASN 11 2.460 -0.464 -5.738 87 HD22 ASN 11 HD22 ASN 11 0.762 -0.183 -5.101 88 H ASN 12 H ASN 12 -0.203 -0.410 -0.182 89 HA ASN 12 HA ASN 12 0.780 -1.609 1.527 90 HB2 ASN 12 HB3 ASN 12 0.890 -3.081 -0.468 91 HB3 ASN 12 HB2 ASN 12 2.581 -2.644 -0.613 92 HD21 ASN 12 HD21 ASN 12 1.492 -5.318 2.340 93 HD22 ASN 12 HD22 ASN 12 0.244 -4.281 1.484 94 H LYS 13 H LYS 13 1.540 1.033 1.719 95 HA LYS 13 HA LYS 13 3.112 2.492 2.672 96 HB2 LYS 13 HB3 LYS 13 4.236 -0.033 3.958 97 HB3 LYS 13 HB2 LYS 13 4.744 1.594 4.354 98 HG2 LYS 13 HG2 LYS 13 1.921 0.454 4.743 99 HG3 LYS 13 HG3 LYS 13 3.113 0.698 5.999 100 HD2 LYS 13 HD2 LYS 13 1.707 2.928 4.390 101 HD3 LYS 13 HD3 LYS 13 1.324 2.420 6.020 102 HE2 LYS 13 HE2 LYS 13 3.617 3.159 6.826 103 HE3 LYS 13 HE3 LYS 13 4.002 3.718 5.191 104 HZ2 LYS 13 HZ2 LYS 13 3.189 5.491 6.594 105 HZ3 LYS 13 HZ3 LYS 13 1.779 4.715 6.883 106 H HIS 14 H HIS 14 3.494 2.226 0.029 107 HA HIS 14 HA HIS 14 4.973 2.217 -1.765 108 HB2 HIS 14 HB2 HIS 14 5.598 4.201 -0.293 109 HB3 HIS 14 HB3 HIS 14 7.020 3.301 0.224 110 HD2 HIS 14 HD2 HIS 14 7.931 5.692 -0.988 111 HE1 HIS 14 HE2 HIS 14 7.977 4.083 -4.832 112 HE2 HIS 14 HE3 HIS 14 8.896 6.060 -3.462 113 H LEU 15 H LEU 15 4.551 -0.376 -0.894 114 HA LEU 15 HA LEU 15 5.442 -2.516 -0.899 115 HB2 LEU 15 HB3 LEU 15 7.499 -1.239 -2.751 116 HB3 LEU 15 HB2 LEU 15 7.642 -2.905 -2.278 117 HG LEU 15 HG LEU 15 6.671 -2.702 -4.460 118 HD11 LEU 15 HD11 LEU 15 4.695 -4.315 -4.136 119 HD12 LEU 15 HD12 LEU 15 4.487 -3.798 -2.465 120 HD13 LEU 15 HD13 LEU 15 5.930 -4.708 -2.922 121 HD21 LEU 15 HD21 LEU 15 4.430 -1.816 -4.941 122 HD22 LEU 15 HD22 LEU 15 4.191 -1.346 -3.244 123 HD23 LEU 15 HD23 LEU 15 5.446 -0.544 -4.220 124 H ASN 16 H ASN 16 5.766 -1.147 1.495 125 HA ASN 16 HA ASN 16 6.956 -1.047 3.466 126 HB2 ASN 16 HB3 ASN 16 6.513 -3.456 3.124 127 HB3 ASN 16 HB2 ASN 16 8.168 -3.628 2.566 128 HD21 ASN 16 HD21 ASN 16 7.496 -3.230 6.618 129 HD22 ASN 16 HD22 ASN 16 6.178 -2.894 5.386 130 H GLU 17 H GLU 17 7.908 0.713 1.569 131 HA GLU 17 HA GLU 17 9.664 2.093 1.029 132 HB2 GLU 17 HB3 GLU 17 11.056 0.964 3.419 133 HB3 GLU 17 HB2 GLU 17 11.622 2.361 2.523 134 HG2 GLU 17 HG3 GLU 17 9.557 3.645 3.056 135 HG3 GLU 17 HG2 GLU 17 8.827 2.241 3.824 136 HE2 GLU 17 HE2 GLU 17 11.616 4.496 5.709 137 H HIS 18 H HIS 18 9.401 -0.040 -0.654 138 HA HIS 18 HA HIS 18 10.388 -1.294 -2.267 139 HB2 HIS 18 HB2 HIS 18 11.226 1.029 -2.681 140 HB3 HIS 18 HB3 HIS 18 12.796 0.572 -2.029 141 HD2 HIS 18 HD2 HIS 18 13.210 1.441 -4.692 142 HE1 HIS 18 HE2 HIS 18 12.505 -2.316 -6.350 143 HE2 HIS 18 HE3 HIS 18 13.550 -0.030 -6.907 144 H ALA 19 H ALA 19 10.394 -3.210 -1.152 145 HA ALA 19 HA ALA 19 12.960 -4.515 -0.787 146 HB1 ALA 19 HB1 ALA 19 11.343 -4.128 1.831 147 HB2 ALA 19 HB2 ALA 19 12.953 -3.455 1.480 148 HB3 ALA 19 HB3 ALA 19 12.744 -5.210 1.634 149 H HIS 20 H HIS 20 12.238 -6.020 -2.181 150 HA HIS 20 HA HIS 20 9.644 -7.315 -2.062 151 HB2 HIS 20 HB3 HIS 20 11.084 -6.917 -4.145 152 HB3 HIS 20 HB2 HIS 20 12.087 -8.267 -3.654 153 HD2 HIS 20 HD2 HIS 20 11.096 -8.871 -6.224 154 HE1 HIS 20 HE2 HIS 20 7.505 -10.472 -4.850 155 HE2 HIS 20 HE3 HIS 20 9.010 -10.387 -6.937 156 HC HIS 20 HC HIS 20 10.192 -9.212 -0.549 Start of MODEL 4 1 H1 SER 1 H SER 1 -12.042 -4.709 2.929 2 HA SER 1 HA SER 1 -11.455 -5.582 0.050 3 HB2 SER 1 HB3 SER 1 -13.238 -6.854 1.440 4 HB3 SER 1 HB2 SER 1 -14.210 -5.371 1.413 5 HG SER 1 HG SER 1 -14.060 -5.438 -0.877 6 H ASP 2 H ASP 2 -10.637 -3.056 1.029 7 HA ASP 2 HA ASP 2 -11.718 -1.353 -1.065 8 HB2 ASP 2 HB3 ASP 2 -13.521 -1.036 0.903 9 HB3 ASP 2 HB2 ASP 2 -12.236 -0.317 1.829 10 HD2 ASP 2 HD2 ASP 2 -13.851 1.620 -1.368 11 H THR 3 H THR 3 -9.424 -1.955 -1.301 12 HA THR 3 HA THR 3 -7.465 -0.241 0.069 13 HB THR 3 HB THR 3 -7.033 -2.676 -0.648 14 HG1 THR 3 HG1 THR 3 -5.455 -1.243 0.059 15 HG21 THR 3 HG21 THR 3 -7.786 -2.480 -3.059 16 HG22 THR 3 HG22 THR 3 -6.442 -1.349 -3.370 17 HG23 THR 3 HG23 THR 3 -6.097 -3.033 -2.906 18 H ARG 4 H ARG 4 -9.211 0.685 -2.245 19 HA ARG 4 HA ARG 4 -8.813 2.478 -3.854 20 HB2 ARG 4 HB2 ARG 4 -7.620 3.832 -1.349 21 HB3 ARG 4 HB3 ARG 4 -8.247 4.709 -2.715 22 HG2 ARG 4 HG3 ARG 4 -9.909 3.046 -0.728 23 HG3 ARG 4 HG2 ARG 4 -9.738 4.793 -0.761 24 HD2 ARG 4 HD2 ARG 4 -10.869 4.852 -3.057 25 HD3 ARG 4 HD3 ARG 4 -11.093 3.095 -2.957 26 HH11 ARG 4 HH11 ARG 4 -15.446 4.266 -1.646 27 HH12 ARG 4 HH12 ARG 4 -14.268 4.588 -0.275 28 HH21 ARG 4 HH21 ARG 4 -14.760 3.773 -3.585 29 HH22 ARG 4 HH22 ARG 4 -12.965 3.654 -3.946 30 H TYR 5 H TYR 5 -6.879 0.579 -3.873 31 HA TYR 5 HA TYR 5 -4.954 0.096 -5.064 32 HB2 TYR 5 HB3 TYR 5 -6.302 0.564 -6.813 33 HB3 TYR 5 HB2 TYR 5 -6.334 2.265 -6.567 34 HD1 TYR 5 HD1 TYR 5 -4.164 -0.564 -7.803 35 HD2 TYR 5 HD2 TYR 5 -4.664 3.710 -7.740 36 HE1 TYR 5 HE1 TYR 5 -2.410 -0.326 -9.508 37 HE2 TYR 5 HE2 TYR 5 -2.909 3.934 -9.445 38 HH TYR 5 HH TYR 5 -1.447 2.879 -10.742 39 H ASN 6 H ASN 6 -4.934 1.351 -2.712 40 HA ASN 6 HA ASN 6 -4.016 1.542 -1.402 41 HB2 ASN 6 HB2 ASN 6 -1.985 1.562 -0.513 42 HB3 ASN 6 HB3 ASN 6 -2.976 0.299 -0.568 43 HD21 ASN 6 HD21 ASN 6 -1.621 -1.656 -3.221 44 HD22 ASN 6 HD22 ASN 6 -3.124 -1.081 -2.313 45 H LYS 7 H LYS 7 -5.070 3.549 -1.312 46 HA LYS 7 HA LYS 7 -3.772 5.685 0.086 47 HB2 LYS 7 HB2 LYS 7 -6.716 5.361 -0.152 48 HB3 LYS 7 HB3 LYS 7 -5.724 6.770 0.222 49 HG2 LYS 7 HG3 LYS 7 -6.121 5.512 -2.556 50 HG3 LYS 7 HG2 LYS 7 -6.853 6.999 -2.008 51 HD2 LYS 7 HD2 LYS 7 -3.834 6.534 -2.426 52 HD3 LYS 7 HD3 LYS 7 -4.893 7.297 -3.585 53 HE2 LYS 7 HE2 LYS 7 -4.268 8.439 -0.771 54 HE3 LYS 7 HE3 LYS 7 -3.461 8.914 -2.260 55 HZ2 LYS 7 HZ2 LYS 7 -6.349 9.267 -1.695 56 HZ3 LYS 7 HZ3 LYS 7 -5.210 10.440 -1.659 57 H SER 8 H SER 8 -5.860 2.756 0.373 58 HA SER 8 HA SER 8 -5.870 2.745 3.207 59 HB2 SER 8 HB3 SER 8 -7.501 1.355 1.962 60 HB3 SER 8 HB2 SER 8 -6.137 0.302 1.520 61 HG SER 8 HG SER 8 -6.997 0.905 4.149 62 H PHE 9 H PHE 9 -3.888 2.708 4.442 63 HA PHE 9 HA PHE 9 -2.088 2.220 5.093 64 HB2 PHE 9 HB3 PHE 9 -2.763 -0.041 4.647 65 HB3 PHE 9 HB2 PHE 9 -1.636 -0.066 3.326 66 HD1 PHE 9 HD1 PHE 9 -0.151 -1.820 4.096 67 HD2 PHE 9 HD2 PHE 9 -1.259 1.246 6.916 68 HE1 PHE 9 HE1 PHE 9 1.229 -2.883 5.813 69 HE2 PHE 9 HE2 PHE 9 0.118 0.154 8.620 70 HZ PHE 9 HZ PHE 9 1.350 -1.919 8.085 71 H ILE 10 H ILE 10 -2.355 4.021 2.695 72 HA ILE 10 HA ILE 10 -1.197 5.706 1.748 73 HB ILE 10 HB ILE 10 0.863 5.331 3.878 74 HG12 ILE 10 HG12 ILE 10 -1.277 7.545 3.690 75 HG13 ILE 10 HG13 ILE 10 -1.572 6.025 4.530 76 HG21 ILE 10 HG21 ILE 10 1.913 6.545 1.941 77 HG22 ILE 10 HG22 ILE 10 0.573 7.713 1.927 78 HG23 ILE 10 HG23 ILE 10 1.703 7.649 3.301 79 HD11 ILE 10 HD11 ILE 10 0.344 6.478 6.115 80 HD12 ILE 10 HD12 ILE 10 0.610 8.056 5.325 81 HD13 ILE 10 HD13 ILE 10 -0.919 7.730 6.170 82 H ASN 11 H ASN 11 -0.701 4.447 -0.389 83 HA ASN 11 HA ASN 11 -0.301 2.637 -1.594 84 HB2 ASN 11 HB2 ASN 11 0.905 4.674 -2.048 85 HB3 ASN 11 HB3 ASN 11 2.153 4.174 -0.956 86 HD21 ASN 11 HD21 ASN 11 1.958 2.358 -4.699 87 HD22 ASN 11 HD22 ASN 11 0.429 2.902 -3.844 88 H ASN 12 H ASN 12 -0.865 1.251 1.072 89 HA ASN 12 HA ASN 12 0.032 -0.599 2.308 90 HB2 ASN 12 HB2 ASN 12 -0.522 -1.442 0.057 91 HB3 ASN 12 HB3 ASN 12 1.197 -1.424 -0.285 92 HD21 ASN 12 HD21 ASN 12 -0.319 -4.436 2.086 93 HD22 ASN 12 HD22 ASN 12 -1.316 -2.960 1.645 94 H LYS 13 H LYS 13 1.437 1.632 2.965 95 HA LYS 13 HA LYS 13 3.328 2.383 4.069 96 HB2 LYS 13 HB3 LYS 13 3.855 -0.598 4.379 97 HB3 LYS 13 HB2 LYS 13 5.082 0.541 4.866 98 HG2 LYS 13 HG2 LYS 13 2.231 0.890 5.931 99 HG3 LYS 13 HG3 LYS 13 3.294 -0.343 6.576 100 HD2 LYS 13 HD2 LYS 13 3.404 1.510 8.027 101 HD3 LYS 13 HD3 LYS 13 4.979 1.320 7.299 102 HE2 LYS 13 HE3 LYS 13 2.931 3.413 6.272 103 HE3 LYS 13 HE2 LYS 13 3.963 3.725 7.664 104 HZ2 LYS 13 HZ2 LYS 13 4.943 3.098 4.944 105 HZ3 LYS 13 HZ3 LYS 13 4.924 4.573 5.647 106 H HIS 14 H HIS 14 3.254 2.913 1.388 107 HA HIS 14 HA HIS 14 4.465 3.096 -0.618 108 HB2 HIS 14 HB2 HIS 14 5.582 4.581 1.154 109 HB3 HIS 14 HB3 HIS 14 6.904 3.420 1.180 110 HD2 HIS 14 HD2 HIS 14 7.989 5.914 0.388 111 HE1 HIS 14 HE2 HIS 14 7.142 5.358 -3.655 112 HE2 HIS 14 HE3 HIS 14 8.579 6.797 -2.074 113 H LEU 15 H LEU 15 3.817 0.417 -0.250 114 HA LEU 15 HA LEU 15 4.330 -1.716 -0.930 115 HB2 LEU 15 HB3 LEU 15 6.308 -0.300 -2.748 116 HB3 LEU 15 HB2 LEU 15 6.318 -2.035 -2.635 117 HG LEU 15 HG LEU 15 5.113 -1.360 -4.567 118 HD11 LEU 15 HD11 LEU 15 4.261 -3.492 -3.252 119 HD12 LEU 15 HD12 LEU 15 2.990 -2.755 -4.252 120 HD13 LEU 15 HD13 LEU 15 3.008 -2.494 -2.511 121 HD21 LEU 15 HD21 LEU 15 3.060 0.095 -2.792 122 HD22 LEU 15 HD22 LEU 15 4.264 0.843 -3.875 123 HD23 LEU 15 HD23 LEU 15 2.952 -0.148 -4.552 124 H ASN 16 H ASN 16 5.026 -1.172 1.664 125 HA ASN 16 HA ASN 16 6.437 -1.684 3.410 126 HB2 ASN 16 HB2 ASN 16 5.669 -3.871 2.517 127 HB3 ASN 16 HB3 ASN 16 7.219 -4.017 1.711 128 HD21 ASN 16 HD21 ASN 16 7.056 -4.678 5.784 129 HD22 ASN 16 HD22 ASN 16 5.673 -3.870 4.888 130 H GLU 17 H GLU 17 7.414 0.410 1.871 131 HA GLU 17 HA GLU 17 9.268 1.712 1.486 132 HB2 GLU 17 HB3 GLU 17 10.714 -0.096 3.372 133 HB3 GLU 17 HB2 GLU 17 11.363 1.418 2.774 134 HG2 GLU 17 HG3 GLU 17 9.524 2.720 3.819 135 HG3 GLU 17 HG2 GLU 17 8.687 1.252 4.307 136 HE2 GLU 17 HE2 GLU 17 10.691 0.600 7.061 137 H HIS 18 H HIS 18 8.617 0.192 -0.633 138 HA HIS 18 HA HIS 18 9.304 -0.653 -2.623 139 HB2 HIS 18 HB2 HIS 18 10.527 1.514 -2.454 140 HB3 HIS 18 HB3 HIS 18 12.019 0.647 -2.100 141 HD2 HIS 18 HD2 HIS 18 12.461 2.167 -4.450 142 HE1 HIS 18 HE2 HIS 18 11.041 -0.808 -7.000 143 HE2 HIS 18 HE3 HIS 18 12.444 1.351 -7.004 144 H ALA 19 H ALA 19 8.953 -2.764 -1.897 145 HA ALA 19 HA ALA 19 11.263 -4.597 -2.071 146 HB1 ALA 19 HB1 ALA 19 11.241 -4.123 0.382 147 HB2 ALA 19 HB2 ALA 19 9.520 -4.576 0.464 148 HB3 ALA 19 HB3 ALA 19 10.750 -5.794 0.047 149 H HIS 20 H HIS 20 8.937 -6.197 -0.931 150 HA HIS 20 HA HIS 20 7.966 -7.317 -3.422 151 HB2 HIS 20 HB3 HIS 20 8.204 -8.558 -1.194 152 HB3 HIS 20 HB2 HIS 20 6.686 -7.851 -0.684 153 HD2 HIS 20 HD2 HIS 20 6.373 -10.650 -0.547 154 HE1 HIS 20 HE2 HIS 20 5.329 -11.084 -4.556 155 HE2 HIS 20 HE3 HIS 20 5.260 -12.332 -2.305 156 HC HIS 20 HC HIS 20 5.935 -5.940 -3.841 Start of MODEL 5 1 H1 SER 1 H SER 1 -14.393 -2.591 3.734 2 HA SER 1 HA SER 1 -12.399 -4.428 2.316 3 HB2 SER 1 HB3 SER 1 -14.339 -5.445 3.695 4 HB3 SER 1 HB2 SER 1 -15.459 -4.772 2.496 5 HG SER 1 HG SER 1 -13.274 -6.523 1.992 6 H ASP 2 H ASP 2 -12.696 -1.690 1.592 7 HA ASP 2 HA ASP 2 -12.836 -1.946 -1.274 8 HB2 ASP 2 HB3 ASP 2 -15.449 -1.694 -0.638 9 HB3 ASP 2 HB2 ASP 2 -15.065 -0.059 -0.190 10 HD2 ASP 2 HD2 ASP 2 -15.015 -2.353 -2.685 11 H THR 3 H THR 3 -10.593 -1.235 -0.303 12 HA THR 3 HA THR 3 -10.206 1.554 0.107 13 HB THR 3 HB THR 3 -8.645 -1.045 0.088 14 HG1 THR 3 HG1 THR 3 -10.352 -0.981 1.613 15 HG21 THR 3 HG21 THR 3 -8.037 1.589 1.423 16 HG22 THR 3 HG22 THR 3 -7.098 0.060 1.614 17 HG23 THR 3 HG23 THR 3 -7.150 0.866 0.023 18 H ARG 4 H ARG 4 -11.221 1.059 -2.292 19 HA ARG 4 HA ARG 4 -9.323 1.216 -4.443 20 HB2 ARG 4 HB3 ARG 4 -12.138 2.556 -4.480 21 HB3 ARG 4 HB2 ARG 4 -11.189 2.227 -5.906 22 HG2 ARG 4 HG3 ARG 4 -12.448 0.143 -4.032 23 HG3 ARG 4 HG2 ARG 4 -13.030 0.599 -5.614 24 HD2 ARG 4 HD2 ARG 4 -10.373 -0.886 -5.037 25 HD3 ARG 4 HD3 ARG 4 -11.869 -1.619 -5.559 26 HH11 ARG 4 HH11 ARG 4 -7.780 0.143 -7.369 27 HH12 ARG 4 HH12 ARG 4 -8.749 -0.190 -5.847 28 HH21 ARG 4 HH21 ARG 4 -10.505 -0.170 -9.446 29 HH22 ARG 4 HH22 ARG 4 -8.708 0.153 -9.265 30 H TYR 5 H TYR 5 -10.657 3.873 -2.579 31 HA TYR 5 HA TYR 5 -9.004 5.840 -4.139 32 HB2 TYR 5 HB2 TYR 5 -11.499 6.314 -3.692 33 HB3 TYR 5 HB3 TYR 5 -11.113 6.478 -1.998 34 HD1 TYR 5 HD1 TYR 5 -10.471 8.685 -1.202 35 HD2 TYR 5 HD2 TYR 5 -10.215 7.860 -5.419 36 HE1 TYR 5 HE1 TYR 5 -10.000 11.054 -1.644 37 HE2 TYR 5 HE2 TYR 5 -9.745 10.233 -5.846 38 HH TYR 5 HH TYR 5 -9.573 12.597 -3.182 39 H ASN 6 H ASN 6 -7.896 3.844 -2.401 40 HA ASN 6 HA ASN 6 -5.999 5.511 -0.843 41 HB2 ASN 6 HB2 ASN 6 -7.938 4.451 0.486 42 HB3 ASN 6 HB3 ASN 6 -7.088 2.985 0.157 43 HD21 ASN 6 HD21 ASN 6 -5.264 5.588 2.830 44 HD22 ASN 6 HD22 ASN 6 -6.229 6.242 1.412 45 H LYS 7 H LYS 7 -6.529 2.381 -2.443 46 HA LYS 7 HA LYS 7 -5.119 0.964 -3.637 47 HB2 LYS 7 HB2 LYS 7 -2.948 3.056 -3.440 48 HB3 LYS 7 HB3 LYS 7 -2.929 1.611 -4.433 49 HG2 LYS 7 HG3 LYS 7 -4.930 3.939 -4.689 50 HG3 LYS 7 HG2 LYS 7 -3.515 3.717 -5.691 51 HD2 LYS 7 HD3 LYS 7 -5.949 1.817 -5.600 52 HD3 LYS 7 HD2 LYS 7 -5.680 3.081 -6.786 53 HE2 LYS 7 HE3 LYS 7 -3.548 1.914 -7.568 54 HE3 LYS 7 HE2 LYS 7 -3.850 0.611 -6.409 55 HZ2 LYS 7 HZ2 LYS 7 -5.691 1.399 -8.598 56 HZ3 LYS 7 HZ3 LYS 7 -5.969 0.197 -7.525 57 H SER 8 H SER 8 -5.590 -0.159 -1.363 58 HA SER 8 HA SER 8 -4.949 -1.057 0.737 59 HB2 SER 8 HB3 SER 8 -4.661 -2.685 -0.842 60 HB3 SER 8 HB2 SER 8 -3.189 -1.946 -1.456 61 HG SER 8 HG SER 8 -3.562 -3.127 1.110 62 H PHE 9 H PHE 9 -4.335 1.522 1.324 63 HA PHE 9 HA PHE 9 -3.027 2.959 2.492 64 HB2 PHE 9 HB2 PHE 9 -3.484 1.056 4.029 65 HB3 PHE 9 HB3 PHE 9 -1.856 0.506 3.702 66 HD1 PHE 9 HD1 PHE 9 -0.745 0.733 5.791 67 HD2 PHE 9 HD2 PHE 9 -3.196 4.022 4.469 68 HE1 PHE 9 HE1 PHE 9 -0.098 2.031 7.771 69 HE2 PHE 9 HE2 PHE 9 -2.514 5.307 6.443 70 HZ PHE 9 HZ PHE 9 -0.973 4.318 8.102 71 H ILE 10 H ILE 10 -2.098 2.841 -0.071 72 HA ILE 10 HA ILE 10 -0.330 3.621 -1.381 73 HB ILE 10 HB ILE 10 1.132 4.282 1.106 74 HG12 ILE 10 HG13 ILE 10 -0.407 6.238 -0.717 75 HG13 ILE 10 HG12 ILE 10 -1.203 5.428 0.627 76 HG21 ILE 10 HG21 ILE 10 1.650 5.235 -1.790 77 HG22 ILE 10 HG22 ILE 10 2.735 4.207 -0.833 78 HG23 ILE 10 HG23 ILE 10 2.471 5.876 -0.348 79 HD11 ILE 10 HD11 ILE 10 0.422 6.446 2.267 80 HD12 ILE 10 HD12 ILE 10 -0.491 7.664 1.348 81 HD13 ILE 10 HD13 ILE 10 1.204 7.333 0.932 82 H ASN 11 H ASN 11 -0.390 1.043 -1.942 83 HA ASN 11 HA ASN 11 0.466 -1.162 -1.880 84 HB2 ASN 11 HB3 ASN 11 1.287 0.029 -3.687 85 HB3 ASN 11 HB2 ASN 11 2.468 0.838 -2.719 86 HD21 ASN 11 HD21 ASN 11 3.281 -3.031 -4.014 87 HD22 ASN 11 HD22 ASN 11 1.556 -2.500 -3.687 88 H ASN 12 H ASN 12 0.073 -0.898 0.777 89 HA ASN 12 HA ASN 12 0.780 -1.442 2.909 90 HB2 ASN 12 HB3 ASN 12 0.974 -3.531 1.585 91 HB3 ASN 12 HB2 ASN 12 2.702 -3.241 1.512 92 HD21 ASN 12 HD21 ASN 12 1.093 -4.639 5.049 93 HD22 ASN 12 HD22 ASN 12 0.031 -3.939 3.726 94 H LYS 13 H LYS 13 1.697 1.079 2.332 95 HA LYS 13 HA LYS 13 3.282 2.704 2.928 96 HB2 LYS 13 HB3 LYS 13 4.154 0.666 5.016 97 HB3 LYS 13 HB2 LYS 13 4.732 2.315 4.958 98 HG2 LYS 13 HG2 LYS 13 1.746 1.625 5.314 99 HG3 LYS 13 HG3 LYS 13 2.889 1.737 6.625 100 HD2 LYS 13 HD2 LYS 13 1.920 3.801 6.736 101 HD3 LYS 13 HD3 LYS 13 3.417 4.174 5.906 102 HE2 LYS 13 HE2 LYS 13 2.180 4.356 3.709 103 HE3 LYS 13 HE3 LYS 13 0.695 3.770 4.467 104 HZ2 LYS 13 HZ2 LYS 13 0.689 5.724 5.868 105 HZ3 LYS 13 HZ3 LYS 13 0.694 6.139 4.287 106 H HIS 14 H HIS 14 3.868 1.540 0.560 107 HA HIS 14 HA HIS 14 5.498 0.872 -0.966 108 HB2 HIS 14 HB2 HIS 14 6.103 3.235 -0.173 109 HB3 HIS 14 HB3 HIS 14 7.432 2.515 0.728 110 HD2 HIS 14 HD2 HIS 14 8.574 4.332 -1.110 111 HE1 HIS 14 HE2 HIS 14 8.712 1.590 -4.243 112 HE2 HIS 14 HE3 HIS 14 9.687 3.855 -3.501 113 H LEU 15 H LEU 15 4.866 -1.256 0.687 114 HA LEU 15 HA LEU 15 5.640 -3.298 1.487 115 HB2 LEU 15 HB2 LEU 15 7.955 -2.734 -0.400 116 HB3 LEU 15 HB3 LEU 15 7.950 -4.151 0.608 117 HG LEU 15 HG LEU 15 7.264 -4.675 -1.624 118 HD11 LEU 15 HD21 LEU 15 5.164 -6.049 -1.060 119 HD12 LEU 15 HD22 LEU 15 6.215 -6.037 0.372 120 HD13 LEU 15 HD23 LEU 15 4.788 -4.999 0.304 121 HD21 LEU 15 HD11 LEU 15 6.159 -2.536 -2.271 122 HD22 LEU 15 HD12 LEU 15 4.746 -2.943 -1.266 123 HD23 LEU 15 HD13 LEU 15 5.158 -3.955 -2.667 124 H ASN 16 H ASN 16 5.772 -1.196 3.322 125 HA ASN 16 HA ASN 16 6.774 -0.431 5.264 126 HB2 ASN 16 HB2 ASN 16 6.260 -2.800 5.716 127 HB3 ASN 16 HB3 ASN 16 7.939 -3.184 5.384 128 HD21 ASN 16 HD21 ASN 16 7.026 -1.431 9.007 129 HD22 ASN 16 HD22 ASN 16 5.822 -1.448 7.623 130 H GLU 17 H GLU 17 8.002 0.554 2.982 131 HA GLU 17 HA GLU 17 9.873 1.630 2.189 132 HB2 GLU 17 HB3 GLU 17 10.944 1.431 4.971 133 HB3 GLU 17 HB2 GLU 17 11.660 2.419 3.714 134 HG2 GLU 17 HG3 GLU 17 9.596 3.801 3.511 135 HG3 GLU 17 HG2 GLU 17 8.741 2.768 4.649 136 HE2 GLU 17 HE2 GLU 17 11.225 5.008 4.204 137 H HIS 18 H HIS 18 9.702 -1.106 1.555 138 HA HIS 18 HA HIS 18 12.582 -1.888 1.202 139 HB2 HIS 18 HB2 HIS 18 10.225 -3.767 1.343 140 HB3 HIS 18 HB3 HIS 18 11.883 -4.232 1.113 141 HD2 HIS 18 HD2 HIS 18 10.523 -5.718 3.171 142 HE1 HIS 18 HE2 HIS 18 12.118 -3.298 6.160 143 HE2 HIS 18 HE3 HIS 18 10.976 -5.577 5.804 144 H ALA 19 H ALA 19 10.342 -3.403 -0.409 145 HA ALA 19 HA ALA 19 9.628 -3.649 -2.711 146 HB1 ALA 19 HB1 ALA 19 9.213 -1.671 -4.122 147 HB2 ALA 19 HB2 ALA 19 10.120 -0.633 -2.998 148 HB3 ALA 19 HB3 ALA 19 8.613 -1.423 -2.471 149 H HIS 20 H HIS 20 11.175 -5.055 -3.386 150 HA HIS 20 HA HIS 20 13.805 -4.274 -4.345 151 HB2 HIS 20 HB3 HIS 20 13.143 -6.523 -3.309 152 HB3 HIS 20 HB2 HIS 20 12.397 -6.955 -4.834 153 HD2 HIS 20 HD2 HIS 20 14.347 -8.917 -4.290 154 HE1 HIS 20 HE2 HIS 20 17.499 -6.751 -5.940 155 HE2 HIS 20 HE3 HIS 20 16.856 -9.130 -5.196 156 HC HIS 20 HC HIS 20 13.245 -3.820 -6.725 Start of MODEL 6 1 H1 SER 1 H SER 1 -13.658 -2.688 2.330 2 HA SER 1 HA SER 1 -10.671 -2.903 2.959 3 HB2 SER 1 HB2 SER 1 -12.398 -4.032 4.512 4 HB3 SER 1 HB3 SER 1 -12.787 -5.125 3.170 5 HG SER 1 HG SER 1 -11.181 -5.926 4.553 6 H ASP 2 H ASP 2 -11.598 -2.139 0.386 7 HA ASP 2 HA ASP 2 -10.042 -4.029 -1.227 8 HB2 ASP 2 HB2 ASP 2 -12.563 -5.005 -1.261 9 HB3 ASP 2 HB3 ASP 2 -12.963 -3.591 -2.200 10 HD2 ASP 2 HD2 ASP 2 -10.779 -6.642 -3.743 11 H THR 3 H THR 3 -9.050 -1.791 -0.775 12 HA THR 3 HA THR 3 -9.093 -0.232 -3.271 13 HB THR 3 HB THR 3 -10.692 0.661 -1.461 14 HG1 THR 3 HG1 THR 3 -8.663 2.289 -2.595 15 HG21 THR 3 HG21 THR 3 -9.844 2.290 0.142 16 HG22 THR 3 HG22 THR 3 -9.139 0.688 0.523 17 HG23 THR 3 HG23 THR 3 -8.178 1.935 -0.279 18 H ARG 4 H ARG 4 -7.360 -1.999 -3.222 19 HA ARG 4 HA ARG 4 -4.963 -1.629 -1.736 20 HB2 ARG 4 HB3 ARG 4 -4.955 -2.451 -4.747 21 HB3 ARG 4 HB2 ARG 4 -3.684 -2.814 -3.611 22 HG2 ARG 4 HG2 ARG 4 -6.519 -4.005 -3.621 23 HG3 ARG 4 HG3 ARG 4 -5.042 -4.789 -4.150 24 HD2 ARG 4 HD3 ARG 4 -4.142 -4.769 -1.789 25 HD3 ARG 4 HD2 ARG 4 -5.613 -3.941 -1.233 26 HH11 ARG 4 HH11 ARG 4 -6.685 -8.298 0.201 27 HH12 ARG 4 HH12 ARG 4 -7.009 -8.103 -1.595 28 HH21 ARG 4 HH21 ARG 4 -5.624 -6.826 1.289 29 HH22 ARG 4 HH22 ARG 4 -4.999 -5.312 0.461 30 H TYR 5 H TYR 5 -5.904 0.381 -4.298 31 HA TYR 5 HA TYR 5 -3.285 1.815 -4.188 32 HB2 TYR 5 HB3 TYR 5 -4.575 1.266 -6.438 33 HB3 TYR 5 HB2 TYR 5 -5.639 2.577 -6.015 34 HD1 TYR 5 HD1 TYR 5 -4.913 4.888 -6.526 35 HD2 TYR 5 HD2 TYR 5 -2.060 1.674 -6.776 36 HE1 TYR 5 HE1 TYR 5 -3.301 6.392 -7.609 37 HE2 TYR 5 HE2 TYR 5 -0.460 3.189 -7.861 38 HH TYR 5 HH TYR 5 -0.069 5.249 -8.589 39 H ASN 6 H ASN 6 -5.538 1.881 -2.179 40 HA ASN 6 HA ASN 6 -4.854 4.476 -0.968 41 HB2 ASN 6 HB2 ASN 6 -6.834 4.602 -2.602 42 HB3 ASN 6 HB3 ASN 6 -7.672 3.685 -1.409 43 HD21 ASN 6 HD21 ASN 6 -6.963 7.709 -0.678 44 HD22 ASN 6 HD22 ASN 6 -5.974 6.771 -1.907 45 H LYS 7 H LYS 7 -5.605 1.128 -0.254 46 HA LYS 7 HA LYS 7 -6.804 0.955 2.077 47 HB2 LYS 7 HB2 LYS 7 -4.177 -0.345 1.154 48 HB3 LYS 7 HB3 LYS 7 -4.790 -0.789 2.714 49 HG2 LYS 7 HG3 LYS 7 -6.097 -1.278 0.027 50 HG3 LYS 7 HG2 LYS 7 -5.419 -2.472 1.087 51 HD2 LYS 7 HD2 LYS 7 -7.948 -0.807 1.641 52 HD3 LYS 7 HD3 LYS 7 -7.955 -2.386 0.916 53 HE2 LYS 7 HE3 LYS 7 -6.889 -1.814 3.775 54 HE3 LYS 7 HE2 LYS 7 -8.539 -2.312 3.414 55 HZ2 LYS 7 HZ2 LYS 7 -7.712 -4.361 2.479 56 HZ3 LYS 7 HZ3 LYS 7 -7.222 -4.187 4.029 57 H SER 8 H SER 8 -3.551 1.458 2.111 58 HA SER 8 HA SER 8 -3.556 3.303 4.536 59 HB2 SER 8 HB2 SER 8 -2.889 0.919 4.995 60 HB3 SER 8 HB3 SER 8 -1.479 1.211 3.994 61 HG SER 8 HG SER 8 -2.194 2.715 6.283 62 H PHE 9 H PHE 9 -3.700 4.898 2.391 63 HA PHE 9 HA PHE 9 -2.982 5.812 0.382 64 HB2 PHE 9 HB3 PHE 9 -1.033 6.181 2.580 65 HB3 PHE 9 HB2 PHE 9 -0.571 6.881 1.043 66 HD1 PHE 9 HD1 PHE 9 -2.769 7.222 3.989 67 HD2 PHE 9 HD2 PHE 9 -2.023 8.712 0.016 68 HE1 PHE 9 HE1 PHE 9 -4.150 9.198 4.457 69 HE2 PHE 9 HE2 PHE 9 -3.410 10.679 0.507 70 HZ PHE 9 HZ PHE 9 -4.476 10.929 2.723 71 H ILE 10 H ILE 10 -2.987 3.277 -0.364 72 HA ILE 10 HA ILE 10 -2.255 1.949 -1.996 73 HB ILE 10 HB ILE 10 0.275 3.472 -2.361 74 HG12 ILE 10 HG13 ILE 10 -2.118 3.716 -4.226 75 HG13 ILE 10 HG12 ILE 10 -2.086 4.682 -2.762 76 HG21 ILE 10 HG21 ILE 10 -1.073 1.435 -4.246 77 HG22 ILE 10 HG22 ILE 10 0.351 2.417 -4.660 78 HG23 ILE 10 HG23 ILE 10 0.460 1.204 -3.381 79 HD11 ILE 10 HD11 ILE 10 0.101 5.746 -3.485 80 HD12 ILE 10 HD12 ILE 10 -1.199 5.995 -4.677 81 HD13 ILE 10 HD13 ILE 10 0.065 4.785 -4.989 82 H ASN 11 H ASN 11 -2.202 0.294 0.029 83 HA ASN 11 HA ASN 11 -1.086 -1.043 1.626 84 HB2 ASN 11 HB2 ASN 11 -1.328 -2.177 -0.354 85 HB3 ASN 11 HB3 ASN 11 0.024 -1.374 -1.072 86 HD21 ASN 11 HD21 ASN 11 0.816 -4.524 1.542 87 HD22 ASN 11 HD22 ASN 11 -0.579 -3.377 1.869 88 H ASN 12 H ASN 12 -0.343 1.293 2.629 89 HA ASN 12 HA ASN 12 1.180 2.436 3.854 90 HB2 ASN 12 HB2 ASN 12 1.231 0.170 4.829 91 HB3 ASN 12 HB3 ASN 12 2.741 -0.094 3.973 92 HD21 ASN 12 HD21 ASN 12 2.779 2.283 7.350 93 HD22 ASN 12 HD22 ASN 12 1.210 1.820 6.520 94 H LYS 13 H LYS 13 1.339 3.254 1.235 95 HA LYS 13 HA LYS 13 2.734 4.341 -0.308 96 HB2 LYS 13 HB3 LYS 13 4.687 4.581 2.025 97 HB3 LYS 13 HB2 LYS 13 4.842 5.419 0.500 98 HG2 LYS 13 HG2 LYS 13 2.534 5.797 2.498 99 HG3 LYS 13 HG3 LYS 13 3.931 6.838 2.360 100 HD2 LYS 13 HD3 LYS 13 1.813 6.440 0.152 101 HD3 LYS 13 HD2 LYS 13 1.851 7.759 1.310 102 HE2 LYS 13 HE2 LYS 13 4.098 8.525 0.390 103 HE3 LYS 13 HE3 LYS 13 4.044 7.224 -0.808 104 HZ2 LYS 13 HZ2 LYS 13 2.019 9.377 -0.547 105 HZ3 LYS 13 HZ3 LYS 13 1.970 8.172 -1.650 106 H HIS 14 H HIS 14 2.602 1.673 -0.755 107 HA HIS 14 HA HIS 14 3.615 -0.248 -1.580 108 HB2 HIS 14 HB2 HIS 14 4.082 1.606 -3.260 109 HB3 HIS 14 HB3 HIS 14 5.745 1.643 -2.681 110 HD2 HIS 14 HD2 HIS 14 5.843 1.027 -5.438 111 HE1 HIS 14 HE2 HIS 14 5.432 -3.077 -4.845 112 HE2 HIS 14 HE3 HIS 14 6.173 -1.359 -6.615 113 H LEU 15 H LEU 15 3.961 -0.136 1.162 114 HA LEU 15 HA LEU 15 5.321 -0.862 2.914 115 HB2 LEU 15 HB2 LEU 15 6.599 -2.495 0.700 116 HB3 LEU 15 HB3 LEU 15 7.243 -2.547 2.313 117 HG LEU 15 HG LEU 15 5.859 -4.445 1.885 118 HD11 LEU 15 HD11 LEU 15 5.908 -3.452 4.326 119 HD12 LEU 15 HD12 LEU 15 4.401 -2.597 3.985 120 HD13 LEU 15 HD13 LEU 15 4.413 -4.358 4.009 121 HD21 LEU 15 HD21 LEU 15 4.227 -3.462 0.271 122 HD22 LEU 15 HD22 LEU 15 3.405 -2.614 1.603 123 HD23 LEU 15 HD23 LEU 15 3.424 -4.391 1.562 124 H ASN 16 H ASN 16 5.790 1.766 2.080 125 HA ASN 16 HA ASN 16 7.292 3.521 2.133 126 HB2 ASN 16 HB3 ASN 16 7.338 2.591 4.421 127 HB3 ASN 16 HB2 ASN 16 8.851 1.800 4.014 128 HD21 ASN 16 HD21 ASN 16 8.899 5.857 4.763 129 HD22 ASN 16 HD22 ASN 16 7.328 4.940 4.520 130 H GLU 17 H GLU 17 7.438 2.118 -0.227 131 HA GLU 17 HA GLU 17 8.700 1.759 -2.101 132 HB2 GLU 17 HB3 GLU 17 10.778 3.489 -0.829 133 HB3 GLU 17 HB2 GLU 17 10.823 2.980 -2.505 134 HG2 GLU 17 HG3 GLU 17 8.683 4.152 -3.007 135 HG3 GLU 17 HG2 GLU 17 8.464 4.570 -1.313 136 HE2 GLU 17 HE2 GLU 17 11.019 6.613 -3.701 137 H HIS 18 H HIS 18 8.695 -0.342 -0.210 138 HA HIS 18 HA HIS 18 11.178 -1.817 -0.995 139 HB2 HIS 18 HB3 HIS 18 10.935 -1.065 1.437 140 HB3 HIS 18 HB2 HIS 18 9.647 -2.238 1.581 141 HD2 HIS 18 HD2 HIS 18 11.654 -2.960 3.442 142 HE1 HIS 18 HE2 HIS 18 13.488 -5.537 0.728 143 HE2 HIS 18 HE3 HIS 18 13.330 -5.041 3.250 144 H ALA 19 H ALA 19 8.926 -3.444 0.438 145 HA ALA 19 HA ALA 19 7.371 -5.227 -0.093 146 HB1 ALA 19 HB1 ALA 19 6.082 -3.587 -1.424 147 HB2 ALA 19 HB2 ALA 19 7.041 -3.968 -2.874 148 HB3 ALA 19 HB3 ALA 19 6.008 -5.212 -2.135 149 H HIS 20 H HIS 20 9.128 -6.636 0.235 150 HA HIS 20 HA HIS 20 10.732 -7.669 -1.969 151 HB2 HIS 20 HB3 HIS 20 11.434 -7.498 0.487 152 HB3 HIS 20 HB2 HIS 20 10.426 -8.890 0.827 153 HD2 HIS 20 HD2 HIS 20 13.046 -9.560 1.626 154 HE1 HIS 20 HE2 HIS 20 14.256 -10.816 -2.157 155 HE2 HIS 20 HE3 HIS 20 14.923 -10.955 0.326 156 HC HIS 20 HC HIS 20 9.219 -9.508 -2.687 Start of MODEL 7 1 H1 SER 1 H SER 1 -13.063 -3.561 -3.276 2 HA SER 1 HA SER 1 -13.705 -1.276 -1.338 3 HB2 SER 1 HB2 SER 1 -15.625 -2.387 -2.694 4 HB3 SER 1 HB3 SER 1 -15.335 -3.863 -1.757 5 HG SER 1 HG SER 1 -15.649 -2.602 0.136 6 H ASP 2 H ASP 2 -11.260 -2.697 -1.201 7 HA ASP 2 HA ASP 2 -11.207 -3.342 1.613 8 HB2 ASP 2 HB3 ASP 2 -12.063 -5.664 0.521 9 HB3 ASP 2 HB2 ASP 2 -10.465 -5.796 -0.151 10 HD2 ASP 2 HD2 ASP 2 -12.366 -5.793 2.592 11 H THR 3 H THR 3 -9.932 -1.465 1.015 12 HA THR 3 HA THR 3 -7.062 -2.185 0.527 13 HB THR 3 HB THR 3 -8.397 -0.896 -1.322 14 HG1 THR 3 HG1 THR 3 -5.945 0.065 -0.329 15 HG21 THR 3 HG21 THR 3 -8.400 1.521 -1.267 16 HG22 THR 3 HG22 THR 3 -7.593 1.590 0.304 17 HG23 THR 3 HG23 THR 3 -9.270 0.999 0.213 18 H ARG 4 H ARG 4 -8.170 -2.248 3.121 19 HA ARG 4 HA ARG 4 -7.477 0.250 4.422 20 HB2 ARG 4 HB2 ARG 4 -8.083 -2.540 5.739 21 HB3 ARG 4 HB3 ARG 4 -7.793 -1.093 6.664 22 HG2 ARG 4 HG3 ARG 4 -10.063 -1.104 6.710 23 HG3 ARG 4 HG2 ARG 4 -9.785 0.022 5.390 24 HD2 ARG 4 HD3 ARG 4 -10.282 -1.880 3.726 25 HD3 ARG 4 HD2 ARG 4 -10.524 -2.976 5.097 26 HH11 ARG 4 HH11 ARG 4 -13.899 -3.756 3.563 27 HH12 ARG 4 HH12 ARG 4 -12.074 -3.743 3.756 28 HH21 ARG 4 HH21 ARG 4 -14.301 -0.665 5.023 29 HH22 ARG 4 HH22 ARG 4 -15.072 -2.130 4.233 30 H TYR 5 H TYR 5 -5.314 -2.216 3.580 31 HA TYR 5 HA TYR 5 -3.319 -1.404 5.691 32 HB2 TYR 5 HB3 TYR 5 -3.542 -3.852 5.174 33 HB3 TYR 5 HB2 TYR 5 -3.201 -3.568 3.492 34 HD1 TYR 5 HD1 TYR 5 -1.579 -3.000 6.901 35 HD2 TYR 5 HD2 TYR 5 -0.948 -3.753 2.710 36 HE1 TYR 5 HE1 TYR 5 0.849 -3.112 7.275 37 HE2 TYR 5 HE2 TYR 5 1.470 -3.863 3.099 38 HH TYR 5 HH TYR 5 2.851 -3.343 6.340 39 H ASN 6 H ASN 6 -4.312 0.504 4.224 40 HA ASN 6 HA ASN 6 -4.408 2.082 2.842 41 HB2 ASN 6 HB2 ASN 6 -3.010 2.867 4.720 42 HB3 ASN 6 HB3 ASN 6 -1.671 2.502 3.679 43 HD21 ASN 6 HD21 ASN 6 -4.043 5.783 2.639 44 HD22 ASN 6 HD22 ASN 6 -4.752 4.096 2.780 45 H LYS 7 H LYS 7 -4.260 -0.091 1.208 46 HA LYS 7 HA LYS 7 -2.327 0.671 -0.806 47 HB2 LYS 7 HB2 LYS 7 -4.314 -0.346 -2.582 48 HB3 LYS 7 HB3 LYS 7 -2.635 -0.423 -2.509 49 HG2 LYS 7 HG3 LYS 7 -4.564 -2.159 -0.761 50 HG3 LYS 7 HG2 LYS 7 -3.764 -2.721 -2.213 51 HD2 LYS 7 HD2 LYS 7 -2.339 -1.927 0.409 52 HD3 LYS 7 HD3 LYS 7 -2.753 -3.563 -0.077 53 HE2 LYS 7 HE3 LYS 7 -1.234 -3.355 -2.116 54 HE3 LYS 7 HE2 LYS 7 -0.786 -1.721 -1.603 55 HZ2 LYS 7 HZ2 LYS 7 0.808 -3.315 -0.845 56 HZ3 LYS 7 HZ3 LYS 7 0.074 -2.634 0.448 57 H SER 8 H SER 8 -5.003 2.428 0.160 58 HA SER 8 HA SER 8 -5.380 4.029 -2.212 59 HB2 SER 8 HB2 SER 8 -6.932 4.321 -0.306 60 HB3 SER 8 HB3 SER 8 -5.586 4.998 0.629 61 HG SER 8 HG SER 8 -6.883 6.591 -0.341 62 H PHE 9 H PHE 9 -3.437 5.462 0.480 63 HA PHE 9 HA PHE 9 -1.496 6.642 0.434 64 HB2 PHE 9 HB3 PHE 9 -1.044 4.262 1.166 65 HB3 PHE 9 HB2 PHE 9 0.110 4.266 -0.119 66 HD1 PHE 9 HD1 PHE 9 0.531 7.608 0.847 67 HD2 PHE 9 HD2 PHE 9 0.951 3.653 2.527 68 HE1 PHE 9 HE1 PHE 9 2.023 8.481 2.574 69 HE2 PHE 9 HE2 PHE 9 2.453 4.555 4.227 70 HZ PHE 9 HZ PHE 9 2.984 6.967 4.274 71 H ILE 10 H ILE 10 -1.516 4.740 -2.306 72 HA ILE 10 HA ILE 10 -1.207 4.637 -4.303 73 HB ILE 10 HB ILE 10 1.222 6.391 -4.105 74 HG12 ILE 10 HG12 ILE 10 -1.234 6.783 -5.933 75 HG13 ILE 10 HG13 ILE 10 -1.352 7.097 -4.201 76 HG21 ILE 10 HG21 ILE 10 1.905 4.740 -5.846 77 HG22 ILE 10 HG22 ILE 10 1.569 6.297 -6.621 78 HG23 ILE 10 HG23 ILE 10 0.373 4.980 -6.721 79 HD11 ILE 10 HD11 ILE 10 -0.867 9.211 -5.444 80 HD12 ILE 10 HD12 ILE 10 0.504 8.829 -4.375 81 HD13 ILE 10 HD13 ILE 10 0.624 8.523 -6.129 82 H ASN 11 H ASN 11 -1.039 2.307 -4.668 83 HA ASN 11 HA ASN 11 -0.916 0.356 -3.572 84 HB2 ASN 11 HB3 ASN 11 0.083 0.604 -5.771 85 HB3 ASN 11 HB2 ASN 11 1.565 1.134 -5.033 86 HD21 ASN 11 HD21 ASN 11 0.687 -2.933 -4.892 87 HD22 ASN 11 HD22 ASN 11 -0.660 -1.689 -4.818 88 H ASN 12 H ASN 12 -0.721 2.172 -1.333 89 HA ASN 12 HA ASN 12 0.351 2.256 0.856 90 HB2 ASN 12 HB2 ASN 12 -0.582 0.072 0.817 91 HB3 ASN 12 HB3 ASN 12 0.945 -0.587 0.272 92 HD21 ASN 12 HD21 ASN 12 0.897 0.618 4.241 93 HD22 ASN 12 HD22 ASN 12 -0.157 1.486 3.015 94 H LYS 13 H LYS 13 1.799 3.697 -0.946 95 HA LYS 13 HA LYS 13 3.891 4.581 -1.453 96 HB2 LYS 13 HB3 LYS 13 4.220 3.716 1.416 97 HB3 LYS 13 HB2 LYS 13 5.715 3.981 0.583 98 HG2 LYS 13 HG2 LYS 13 3.430 6.016 0.609 99 HG3 LYS 13 HG3 LYS 13 4.718 5.987 1.799 100 HD2 LYS 13 HD2 LYS 13 4.981 6.570 -1.212 101 HD3 LYS 13 HD3 LYS 13 5.107 7.733 0.082 102 HE2 LYS 13 HE2 LYS 13 7.130 5.453 -0.467 103 HE3 LYS 13 HE3 LYS 13 7.314 7.131 -0.952 104 HZ2 LYS 13 HZ2 LYS 13 7.342 7.790 1.358 105 HZ3 LYS 13 HZ3 LYS 13 8.524 6.705 1.045 106 H HIS 14 H HIS 14 3.274 2.375 -2.938 107 HA HIS 14 HA HIS 14 4.099 0.502 -4.081 108 HB2 HIS 14 HB2 HIS 14 5.437 2.541 -4.844 109 HB3 HIS 14 HB3 HIS 14 6.799 1.913 -3.924 110 HD2 HIS 14 HD2 HIS 14 7.617 2.085 -6.631 111 HE1 HIS 14 HE2 HIS 14 6.168 -1.692 -7.631 112 HE2 HIS 14 HE3 HIS 14 7.765 0.144 -8.474 113 H LEU 15 H LEU 15 3.588 -0.265 -1.475 114 HA LEU 15 HA LEU 15 4.075 -1.873 0.093 115 HB2 LEU 15 HB2 LEU 15 5.814 -3.032 -2.126 116 HB3 LEU 15 HB3 LEU 15 5.814 -3.741 -0.540 117 HG LEU 15 HG LEU 15 4.396 -4.956 -2.061 118 HD11 LEU 15 HD21 LEU 15 2.686 -3.563 0.193 119 HD12 LEU 15 HD22 LEU 15 2.334 -5.142 -0.507 120 HD13 LEU 15 HD23 LEU 15 3.793 -4.905 0.481 121 HD21 LEU 15 HD11 LEU 15 3.568 -3.132 -3.522 122 HD22 LEU 15 HD12 LEU 15 2.233 -4.144 -2.924 123 HD23 LEU 15 HD13 LEU 15 2.502 -2.531 -2.227 124 H ASN 16 H ASN 16 5.106 0.631 0.643 125 HA ASN 16 HA ASN 16 6.722 1.784 1.794 126 HB2 ASN 16 HB2 ASN 16 5.876 0.103 3.407 127 HB3 ASN 16 HB3 ASN 16 7.294 -0.867 3.061 128 HD21 ASN 16 HD21 ASN 16 7.748 2.446 5.481 129 HD22 ASN 16 HD22 ASN 16 6.255 2.227 4.437 130 H GLU 17 H GLU 17 7.436 1.155 -0.835 131 HA GLU 17 HA GLU 17 9.200 1.160 -2.326 132 HB2 GLU 17 HB2 GLU 17 10.871 2.083 -0.026 133 HB3 GLU 17 HB3 GLU 17 11.414 2.080 -1.694 134 HG2 GLU 17 HG3 GLU 17 9.627 3.684 -2.364 135 HG3 GLU 17 HG2 GLU 17 8.897 3.613 -0.766 136 HE2 GLU 17 HE2 GLU 17 11.598 4.555 -2.572 137 H HIS 18 H HIS 18 8.388 -1.312 -1.732 138 HA HIS 18 HA HIS 18 8.900 -3.531 -1.760 139 HB2 HIS 18 HB3 HIS 18 10.141 -2.622 -3.727 140 HB3 HIS 18 HB2 HIS 18 11.655 -2.763 -2.837 141 HD2 HIS 18 HD2 HIS 18 11.892 -4.354 -5.170 142 HE1 HIS 18 HE2 HIS 18 10.248 -7.742 -3.386 143 HE2 HIS 18 HE3 HIS 18 11.650 -7.012 -5.419 144 H ALA 19 H ALA 19 8.611 -3.309 0.531 145 HA ALA 19 HA ALA 19 10.619 -4.710 2.130 146 HB1 ALA 19 HB1 ALA 19 11.601 -2.426 2.368 147 HB2 ALA 19 HB2 ALA 19 10.034 -1.806 2.946 148 HB3 ALA 19 HB3 ALA 19 10.932 -3.006 3.906 149 H HIS 20 H HIS 20 8.789 -3.139 4.054 150 HA HIS 20 HA HIS 20 6.928 -5.229 4.684 151 HB2 HIS 20 HB2 HIS 20 7.763 -3.384 6.265 152 HB3 HIS 20 HB3 HIS 20 6.562 -2.315 5.568 153 HD2 HIS 20 HD2 HIS 20 6.000 -2.404 8.314 154 HE1 HIS 20 HE2 HIS 20 3.777 -5.923 8.146 155 HE2 HIS 20 HE3 HIS 20 4.238 -3.898 9.668 156 HC HIS 20 HC HIS 20 4.984 -4.771 3.202 Start of MODEL 8 1 H1 SER 1 H SER 1 -13.130 -1.782 2.436 2 HA SER 1 HA SER 1 -15.941 -0.984 1.501 3 HB2 SER 1 HB2 SER 1 -15.204 -0.452 3.920 4 HB3 SER 1 HB3 SER 1 -14.006 0.667 3.246 5 HG SER 1 HG SER 1 -15.738 1.713 2.164 6 H ASP 2 H ASP 2 -13.929 -1.663 -0.334 7 HA ASP 2 HA ASP 2 -13.038 -1.048 -2.380 8 HB2 ASP 2 HB3 ASP 2 -15.499 -0.107 -2.638 9 HB3 ASP 2 HB2 ASP 2 -14.861 1.406 -2.090 10 HD2 ASP 2 HD2 ASP 2 -14.066 -0.037 -5.819 11 H THR 3 H THR 3 -11.232 -0.828 -0.733 12 HA THR 3 HA THR 3 -9.693 1.638 -1.434 13 HB THR 3 HB THR 3 -10.662 1.489 0.925 14 HG1 THR 3 HG1 THR 3 -7.865 1.712 0.602 15 HG21 THR 3 HG21 THR 3 -10.038 -0.920 1.471 16 HG22 THR 3 HG22 THR 3 -9.469 0.285 2.668 17 HG23 THR 3 HG23 THR 3 -8.326 -0.426 1.514 18 H ARG 4 H ARG 4 -9.541 -0.696 -3.020 19 HA ARG 4 HA ARG 4 -7.150 -2.135 -2.256 20 HB2 ARG 4 HB3 ARG 4 -8.321 -2.070 -5.165 21 HB3 ARG 4 HB2 ARG 4 -7.321 -3.339 -4.510 22 HG2 ARG 4 HG2 ARG 4 -10.243 -2.719 -3.789 23 HG3 ARG 4 HG3 ARG 4 -9.650 -4.062 -4.750 24 HD2 ARG 4 HD3 ARG 4 -8.531 -5.069 -2.754 25 HD3 ARG 4 HD2 ARG 4 -8.977 -3.699 -1.748 26 HH11 ARG 4 HH11 ARG 4 -12.231 -3.169 -0.164 27 HH12 ARG 4 HH12 ARG 4 -10.586 -2.853 -0.914 28 HH21 ARG 4 HH21 ARG 4 -12.691 -6.128 -1.858 29 HH22 ARG 4 HH22 ARG 4 -13.338 -4.895 -0.663 30 H TYR 5 H TYR 5 -7.207 0.871 -3.726 31 HA TYR 5 HA TYR 5 -4.494 0.505 -4.988 32 HB2 TYR 5 HB2 TYR 5 -6.364 1.712 -6.319 33 HB3 TYR 5 HB3 TYR 5 -6.303 2.995 -5.143 34 HD1 TYR 5 HD1 TYR 5 -4.192 1.123 -7.663 35 HD2 TYR 5 HD2 TYR 5 -4.617 4.757 -5.396 36 HE1 TYR 5 HE1 TYR 5 -2.382 2.156 -8.964 37 HE2 TYR 5 HE2 TYR 5 -2.806 5.775 -6.703 38 HH TYR 5 HH TYR 5 -1.144 3.970 -9.290 39 H ASN 6 H ASN 6 -4.786 0.027 -2.244 40 HA ASN 6 HA ASN 6 -4.828 0.246 -0.498 41 HB2 ASN 6 HB2 ASN 6 -2.099 0.693 -0.352 42 HB3 ASN 6 HB3 ASN 6 -3.141 -0.320 0.489 43 HD21 ASN 6 HD21 ASN 6 -2.780 -3.083 -1.845 44 HD22 ASN 6 HD22 ASN 6 -3.778 -2.352 -0.489 45 H LYS 7 H LYS 7 -6.071 2.460 -0.631 46 HA LYS 7 HA LYS 7 -4.813 4.381 1.070 47 HB2 LYS 7 HB3 LYS 7 -7.566 4.099 1.997 48 HB3 LYS 7 HB2 LYS 7 -6.461 5.458 1.913 49 HG2 LYS 7 HG3 LYS 7 -7.859 4.179 -0.525 50 HG3 LYS 7 HG2 LYS 7 -8.380 5.648 0.269 51 HD2 LYS 7 HD3 LYS 7 -5.683 5.288 -1.195 52 HD3 LYS 7 HD2 LYS 7 -7.132 6.003 -1.885 53 HE2 LYS 7 HE3 LYS 7 -7.069 7.858 -0.142 54 HE3 LYS 7 HE2 LYS 7 -5.585 7.167 0.530 55 HZ2 LYS 7 HZ2 LYS 7 -5.142 8.939 -1.029 56 HZ3 LYS 7 HZ3 LYS 7 -5.927 8.170 -2.239 57 H SER 8 H SER 8 -5.531 1.019 1.728 58 HA SER 8 HA SER 8 -5.217 0.858 4.591 59 HB2 SER 8 HB2 SER 8 -6.598 -0.763 3.430 60 HB3 SER 8 HB3 SER 8 -5.166 -1.266 2.510 61 HG SER 8 HG SER 8 -5.579 -2.580 4.313 62 H PHE 9 H PHE 9 -3.102 1.892 5.142 63 HA PHE 9 HA PHE 9 -1.298 2.303 5.274 64 HB2 PHE 9 HB3 PHE 9 -1.162 -0.405 5.058 65 HB3 PHE 9 HB2 PHE 9 0.308 0.109 4.248 66 HD1 PHE 9 HD1 PHE 9 0.580 2.629 6.478 67 HD2 PHE 9 HD2 PHE 9 0.197 -1.664 6.627 68 HE1 PHE 9 HE1 PHE 9 1.662 2.596 8.671 69 HE2 PHE 9 HE2 PHE 9 1.306 -1.668 8.814 70 HZ PHE 9 HZ PHE 9 2.035 0.455 9.846 71 H ILE 10 H ILE 10 -2.229 3.289 2.884 72 HA ILE 10 HA ILE 10 -1.686 4.906 1.399 73 HB ILE 10 HB ILE 10 0.859 5.306 2.903 74 HG12 ILE 10 HG12 ILE 10 -1.671 7.069 2.946 75 HG13 ILE 10 HG13 ILE 10 -1.431 5.738 4.076 76 HG21 ILE 10 HG21 ILE 10 1.151 6.222 0.581 77 HG22 ILE 10 HG22 ILE 10 -0.358 7.148 0.739 78 HG23 ILE 10 HG23 ILE 10 1.056 7.546 1.744 79 HD11 ILE 10 HD11 ILE 10 0.404 8.211 3.887 80 HD12 ILE 10 HD12 ILE 10 0.672 6.818 4.969 81 HD13 ILE 10 HD13 ILE 10 -0.773 7.837 5.165 82 H ASN 11 H ASN 11 -1.472 3.386 -0.587 83 HA ASN 11 HA ASN 11 -0.888 1.587 -1.772 84 HB2 ASN 11 HB2 ASN 11 -0.109 3.603 -2.695 85 HB3 ASN 11 HB3 ASN 11 1.312 3.546 -1.723 86 HD21 ASN 11 HD21 ASN 11 1.068 1.130 -5.114 87 HD22 ASN 11 HD22 ASN 11 -0.432 1.563 -4.150 88 H ASN 12 H ASN 12 -0.831 0.486 1.136 89 HA ASN 12 HA ASN 12 0.356 -1.095 2.358 90 HB2 ASN 12 HB2 ASN 12 -0.407 -2.253 0.309 91 HB3 ASN 12 HB3 ASN 12 1.236 -2.128 -0.283 92 HD21 ASN 12 HD21 ASN 12 0.392 -4.935 2.620 93 HD22 ASN 12 HD22 ASN 12 -0.792 -3.597 2.204 94 H LYS 13 H LYS 13 1.621 1.294 2.571 95 HA LYS 13 HA LYS 13 3.565 2.274 3.375 96 HB2 LYS 13 HB2 LYS 13 4.562 -0.607 3.618 97 HB3 LYS 13 HB3 LYS 13 5.587 0.750 4.009 98 HG2 LYS 13 HG3 LYS 13 2.855 0.516 5.366 99 HG3 LYS 13 HG2 LYS 13 4.179 -0.503 5.868 100 HD2 LYS 13 HD3 LYS 13 4.157 1.336 7.354 101 HD3 LYS 13 HD2 LYS 13 5.616 1.475 6.383 102 HE2 LYS 13 HE3 LYS 13 4.617 3.328 5.041 103 HE3 LYS 13 HE2 LYS 13 3.045 3.111 5.825 104 HZ2 LYS 13 HZ2 LYS 13 5.563 3.936 7.162 105 HZ3 LYS 13 HZ3 LYS 13 4.313 4.918 6.778 106 H HIS 14 H HIS 14 2.989 2.549 0.686 107 HA HIS 14 HA HIS 14 3.847 2.670 -1.507 108 HB2 HIS 14 HB2 HIS 14 5.006 4.448 -0.064 109 HB3 HIS 14 HB3 HIS 14 6.460 3.462 -0.153 110 HD2 HIS 14 HD2 HIS 14 7.074 5.974 -1.308 111 HE1 HIS 14 HE2 HIS 14 5.732 4.908 -5.108 112 HE2 HIS 14 HE3 HIS 14 7.177 6.664 -3.897 113 H LEU 15 H LEU 15 3.605 -0.021 -0.865 114 HA LEU 15 HA LEU 15 4.304 -2.138 -1.456 115 HB2 LEU 15 HB2 LEU 15 5.835 -0.650 -3.620 116 HB3 LEU 15 HB3 LEU 15 6.097 -2.352 -3.384 117 HG LEU 15 HG LEU 15 4.589 -2.019 -5.182 118 HD11 LEU 15 HD21 LEU 15 2.725 -3.629 -4.484 119 HD12 LEU 15 HD22 LEU 15 4.194 -4.107 -3.603 120 HD13 LEU 15 HD23 LEU 15 2.916 -3.204 -2.786 121 HD21 LEU 15 HD11 LEU 15 2.592 -0.669 -3.268 122 HD22 LEU 15 HD12 LEU 15 2.303 -1.087 -4.974 123 HD23 LEU 15 HD13 LEU 15 3.543 0.118 -4.556 124 H ASN 16 H ASN 16 5.243 -1.268 0.971 125 HA ASN 16 HA ASN 16 6.928 -1.417 2.540 126 HB2 ASN 16 HB3 ASN 16 6.315 -3.765 1.951 127 HB3 ASN 16 HB2 ASN 16 7.774 -3.824 0.981 128 HD21 ASN 16 HD21 ASN 16 8.135 -4.009 5.096 129 HD22 ASN 16 HD22 ASN 16 6.589 -3.423 4.301 130 H GLU 17 H GLU 17 7.452 0.606 0.725 131 HA GLU 17 HA GLU 17 9.080 2.041 -0.031 132 HB2 GLU 17 HB2 GLU 17 10.974 0.554 1.737 133 HB3 GLU 17 HB3 GLU 17 11.357 2.069 0.942 134 HG2 GLU 17 HG2 GLU 17 9.555 3.266 2.161 135 HG3 GLU 17 HG3 GLU 17 8.966 1.770 2.873 136 HE2 GLU 17 HE2 GLU 17 11.408 1.559 5.327 137 H HIS 18 H HIS 18 8.311 0.204 -1.879 138 HA HIS 18 HA HIS 18 8.809 -0.839 -3.842 139 HB2 HIS 18 HB3 HIS 18 9.514 1.569 -4.144 140 HB3 HIS 18 HB2 HIS 18 11.194 1.067 -4.021 141 HD2 HIS 18 HD2 HIS 18 10.873 2.313 -6.540 142 HE1 HIS 18 HE2 HIS 18 9.645 -1.173 -8.464 143 HE2 HIS 18 HE3 HIS 18 10.547 1.190 -8.950 144 H ALA 19 H ALA 19 9.194 -2.717 -2.452 145 HA ALA 19 HA ALA 19 10.218 -4.753 -2.009 146 HB1 ALA 19 HB1 ALA 19 11.938 -4.207 -4.494 147 HB2 ALA 19 HB2 ALA 19 11.689 -5.780 -3.702 148 HB3 ALA 19 HB3 ALA 19 10.318 -4.947 -4.462 149 H HIS 20 H HIS 20 11.043 -4.240 0.015 150 HA HIS 20 HA HIS 20 13.715 -3.169 0.427 151 HB2 HIS 20 HB2 HIS 20 11.719 -2.971 2.020 152 HB3 HIS 20 HB3 HIS 20 12.009 -4.630 2.510 153 HD2 HIS 20 HD2 HIS 20 12.180 -3.045 4.836 154 HE1 HIS 20 HE2 HIS 20 16.188 -2.050 4.286 155 HE2 HIS 20 HE3 HIS 20 14.339 -2.065 6.078 156 HC HIS 20 HC HIS 20 15.012 -5.290 0.371 Start of MODEL 9 1 H1 SER 1 H SER 1 -10.081 -5.359 1.223 2 HA SER 1 HA SER 1 -9.103 -4.275 -1.463 3 HB2 SER 1 HB3 SER 1 -9.303 -6.818 -1.086 4 HB3 SER 1 HB2 SER 1 -11.060 -6.598 -0.963 5 HG SER 1 HG SER 1 -10.973 -5.620 -3.038 6 H ASP 2 H ASP 2 -10.538 -2.646 0.396 7 HA ASP 2 HA ASP 2 -12.419 -1.407 -1.427 8 HB2 ASP 2 HB2 ASP 2 -13.920 -3.347 -0.288 9 HB3 ASP 2 HB3 ASP 2 -13.788 -2.420 1.180 10 HD2 ASP 2 HD2 ASP 2 -16.091 -1.188 -1.922 11 H THR 3 H THR 3 -10.394 -0.100 -0.836 12 HA THR 3 HA THR 3 -11.127 1.982 1.098 13 HB THR 3 HB THR 3 -9.592 0.055 2.025 14 HG1 THR 3 HG1 THR 3 -10.240 1.973 3.016 15 HG21 THR 3 HG21 THR 3 -7.172 0.629 2.021 16 HG22 THR 3 HG22 THR 3 -7.750 0.099 0.399 17 HG23 THR 3 HG23 THR 3 -7.426 1.794 0.730 18 H ARG 4 H ARG 4 -11.849 2.558 -0.981 19 HA ARG 4 HA ARG 4 -10.018 3.548 -2.947 20 HB2 ARG 4 HB2 ARG 4 -12.025 4.879 -3.968 21 HB3 ARG 4 HB3 ARG 4 -12.586 3.309 -3.514 22 HG2 ARG 4 HG3 ARG 4 -13.039 5.866 -1.866 23 HG3 ARG 4 HG2 ARG 4 -14.112 5.209 -3.084 24 HD2 ARG 4 HD3 ARG 4 -14.335 3.054 -1.710 25 HD3 ARG 4 HD2 ARG 4 -13.392 3.826 -0.422 26 HH11 ARG 4 HH11 ARG 4 -17.829 4.379 1.192 27 HH12 ARG 4 HH12 ARG 4 -17.296 5.765 0.114 28 HH21 ARG 4 HH21 ARG 4 -16.704 2.590 1.311 29 HH22 ARG 4 HH22 ARG 4 -15.163 2.381 0.337 30 H TYR 5 H TYR 5 -11.190 5.267 -0.126 31 HA TYR 5 HA TYR 5 -9.528 7.637 -0.862 32 HB2 TYR 5 HB2 TYR 5 -11.920 7.859 0.092 33 HB3 TYR 5 HB3 TYR 5 -11.303 7.292 1.624 34 HD1 TYR 5 HD1 TYR 5 -10.784 10.004 -0.987 35 HD2 TYR 5 HD2 TYR 5 -10.492 8.970 3.181 36 HE1 TYR 5 HE1 TYR 5 -10.273 12.342 -0.435 37 HE2 TYR 5 HE2 TYR 5 -9.983 11.310 3.718 38 HH TYR 5 HH TYR 5 -9.806 13.801 1.172 39 H ASN 6 H ASN 6 -8.472 5.009 -0.053 40 HA ASN 6 HA ASN 6 -6.159 5.936 1.555 41 HB2 ASN 6 HB2 ASN 6 -7.911 4.756 2.888 42 HB3 ASN 6 HB3 ASN 6 -7.491 3.357 1.999 43 HD21 ASN 6 HD21 ASN 6 -4.674 4.599 4.763 44 HD22 ASN 6 HD22 ASN 6 -5.717 5.832 3.891 45 H LYS 7 H LYS 7 -7.211 3.553 -0.862 46 HA LYS 7 HA LYS 7 -6.103 2.713 -2.746 47 HB2 LYS 7 HB2 LYS 7 -3.838 4.624 -2.185 48 HB3 LYS 7 HB3 LYS 7 -4.058 3.647 -3.625 49 HG2 LYS 7 HG2 LYS 7 -5.957 5.866 -2.646 50 HG3 LYS 7 HG3 LYS 7 -4.758 6.052 -3.905 51 HD2 LYS 7 HD3 LYS 7 -7.235 4.213 -4.049 52 HD3 LYS 7 HD2 LYS 7 -7.112 5.823 -4.734 53 HE2 LYS 7 HE3 LYS 7 -5.234 5.047 -6.273 54 HE3 LYS 7 HE2 LYS 7 -5.378 3.411 -5.613 55 HZ2 LYS 7 HZ2 LYS 7 -7.651 3.329 -6.396 56 HZ3 LYS 7 HZ3 LYS 7 -6.619 3.624 -7.630 57 H SER 8 H SER 8 -6.220 0.805 -1.049 58 HA SER 8 HA SER 8 -5.289 -0.814 0.411 59 HB2 SER 8 HB3 SER 8 -5.279 -1.711 -1.686 60 HB3 SER 8 HB2 SER 8 -3.906 -0.734 -2.188 61 HG SER 8 HG SER 8 -3.377 -2.920 -1.746 62 H PHE 9 H PHE 9 -4.552 1.353 1.865 63 HA PHE 9 HA PHE 9 -3.058 2.287 3.289 64 HB2 PHE 9 HB2 PHE 9 -3.300 -0.084 4.013 65 HB3 PHE 9 HB3 PHE 9 -1.747 -0.383 3.265 66 HD1 PHE 9 HD1 PHE 9 -2.913 2.498 5.520 67 HD2 PHE 9 HD2 PHE 9 -0.332 -0.928 5.096 68 HE1 PHE 9 HE1 PHE 9 -1.923 2.957 7.716 69 HE2 PHE 9 HE2 PHE 9 0.623 -0.461 7.309 70 HZ PHE 9 HZ PHE 9 -0.162 1.479 8.621 71 H ILE 10 H ILE 10 -2.537 3.210 0.775 72 HA ILE 10 HA ILE 10 -0.981 4.520 -0.372 73 HB ILE 10 HB ILE 10 0.854 4.237 1.934 74 HG12 ILE 10 HG13 ILE 10 -0.921 6.670 1.263 75 HG13 ILE 10 HG12 ILE 10 -1.512 5.367 2.286 76 HG21 ILE 10 HG21 ILE 10 2.139 4.993 -0.093 77 HG22 ILE 10 HG22 ILE 10 0.934 6.259 -0.405 78 HG23 ILE 10 HG23 ILE 10 1.975 6.331 1.036 79 HD11 ILE 10 HD11 ILE 10 0.938 7.118 2.953 80 HD12 ILE 10 HD12 ILE 10 -0.669 7.181 3.709 81 HD13 ILE 10 HD13 ILE 10 0.359 5.747 3.936 82 H ASN 11 H ASN 11 -1.164 2.361 -1.876 83 HA ASN 11 HA ASN 11 -0.340 0.350 -2.807 84 HB2 ASN 11 HB3 ASN 11 0.213 2.183 -4.107 85 HB3 ASN 11 HB2 ASN 11 1.538 2.610 -3.084 86 HD21 ASN 11 HD21 ASN 11 2.093 -0.407 -5.894 87 HD22 ASN 11 HD22 ASN 11 0.442 -0.117 -5.147 88 H ASN 12 H ASN 12 -0.316 -0.459 -0.232 89 HA ASN 12 HA ASN 12 0.703 -1.753 1.389 90 HB2 ASN 12 HB2 ASN 12 0.665 -3.152 -0.660 91 HB3 ASN 12 HB3 ASN 12 2.363 -2.771 -0.865 92 HD21 ASN 12 HD21 ASN 12 1.302 -5.511 2.037 93 HD22 ASN 12 HD22 ASN 12 0.057 -4.404 1.267 94 H LYS 13 H LYS 13 1.555 0.836 1.715 95 HA LYS 13 HA LYS 13 3.235 2.176 2.660 96 HB2 LYS 13 HB3 LYS 13 4.384 -0.469 3.638 97 HB3 LYS 13 HB2 LYS 13 4.972 1.098 4.142 98 HG2 LYS 13 HG2 LYS 13 2.064 0.190 4.634 99 HG3 LYS 13 HG3 LYS 13 3.394 -0.163 5.702 100 HD2 LYS 13 HD3 LYS 13 2.487 1.651 6.750 101 HD3 LYS 13 HD2 LYS 13 3.846 2.383 5.920 102 HE2 LYS 13 HE3 LYS 13 2.291 3.346 4.175 103 HE3 LYS 13 HE2 LYS 13 0.929 2.447 4.854 104 HZ2 LYS 13 HZ2 LYS 13 1.231 3.696 6.916 105 HZ3 LYS 13 HZ3 LYS 13 2.493 4.521 6.285 106 H HIS 14 H HIS 14 3.436 2.049 -0.033 107 HA HIS 14 HA HIS 14 4.807 2.097 -1.919 108 HB2 HIS 14 HB2 HIS 14 5.544 4.005 -0.397 109 HB3 HIS 14 HB3 HIS 14 6.979 3.065 -0.006 110 HD2 HIS 14 HD2 HIS 14 7.854 5.499 -1.160 111 HE1 HIS 14 HE2 HIS 14 7.656 4.066 -5.068 112 HE2 HIS 14 HE3 HIS 14 8.680 5.967 -3.666 113 H LEU 15 H LEU 15 4.399 -0.532 -1.165 114 HA LEU 15 HA LEU 15 5.260 -2.674 -1.328 115 HB2 LEU 15 HB3 LEU 15 7.255 -1.325 -3.196 116 HB3 LEU 15 HB2 LEU 15 7.401 -3.014 -2.814 117 HG LEU 15 HG LEU 15 6.345 -2.699 -4.939 118 HD11 LEU 15 HD11 LEU 15 5.637 -4.767 -3.468 119 HD12 LEU 15 HD12 LEU 15 4.362 -4.302 -4.615 120 HD13 LEU 15 HD13 LEU 15 4.225 -3.863 -2.914 121 HD21 LEU 15 HD21 LEU 15 3.936 -1.371 -3.559 122 HD22 LEU 15 HD22 LEU 15 4.097 -1.764 -5.285 123 HD23 LEU 15 HD23 LEU 15 5.162 -0.541 -4.549 124 H ASN 16 H ASN 16 5.702 -1.443 1.119 125 HA ASN 16 HA ASN 16 6.981 -1.431 3.034 126 HB2 ASN 16 HB2 ASN 16 6.491 -3.841 2.580 127 HB3 ASN 16 HB3 ASN 16 8.148 -3.986 2.020 128 HD21 ASN 16 HD21 ASN 16 7.454 -3.746 6.077 129 HD22 ASN 16 HD22 ASN 16 6.138 -3.406 4.844 130 H GLU 17 H GLU 17 7.901 0.387 1.179 131 HA GLU 17 HA GLU 17 9.666 1.750 0.639 132 HB2 GLU 17 HB3 GLU 17 11.172 0.430 2.854 133 HB3 GLU 17 HB2 GLU 17 11.720 1.867 2.014 134 HG2 GLU 17 HG2 GLU 17 9.749 3.171 2.765 135 HG3 GLU 17 HG3 GLU 17 9.001 1.745 3.471 136 HE2 GLU 17 HE2 GLU 17 10.917 1.734 6.362 137 H HIS 18 H HIS 18 9.226 -0.182 -1.194 138 HA HIS 18 HA HIS 18 10.040 -1.190 -3.015 139 HB2 HIS 18 HB2 HIS 18 11.161 1.022 -3.089 140 HB3 HIS 18 HB3 HIS 18 12.679 0.282 -2.584 141 HD2 HIS 18 HD2 HIS 18 13.135 1.511 -5.094 142 HE1 HIS 18 HE2 HIS 18 11.954 -1.835 -7.280 143 HE2 HIS 18 HE3 HIS 18 13.256 0.374 -7.519 144 H ALA 19 H ALA 19 9.981 -3.251 -2.721 145 HA ALA 19 HA ALA 19 10.663 -5.456 -2.676 146 HB1 ALA 19 HB1 ALA 19 12.702 -4.848 -3.928 147 HB2 ALA 19 HB2 ALA 19 12.988 -6.204 -2.818 148 HB3 ALA 19 HB3 ALA 19 13.595 -4.585 -2.409 149 H HIS 20 H HIS 20 9.703 -6.256 -0.939 150 HA HIS 20 HA HIS 20 10.548 -5.802 1.810 151 HB2 HIS 20 HB2 HIS 20 8.170 -6.190 0.987 152 HB3 HIS 20 HB3 HIS 20 8.540 -7.893 0.795 153 HD2 HIS 20 HD2 HIS 20 6.329 -7.659 2.560 154 HE1 HIS 20 HE2 HIS 20 8.709 -7.288 5.959 155 HE2 HIS 20 HE3 HIS 20 6.294 -7.807 5.231 156 HC HIS 20 HC HIS 20 12.116 -7.725 2.032
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