NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
628600 | 6cix | 30415 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 139 HT1 GLY 139 -11.232 10.903 -1.908 2 H2 GLY 139 HT2 GLY 139 -11.978 9.567 -2.629 3 H3 GLY 139 HT3 GLY 139 -10.355 9.901 -2.950 4 HA2 GLY 139 HA1 GLY 139 -9.772 9.462 -0.657 5 HA3 GLY 139 HA2 GLY 139 -11.461 9.110 -0.319 6 H ARG 140 HN ARG 140 -10.538 7.023 0.408 7 HA ARG 140 HA ARG 140 -10.554 5.142 -1.823 8 HB2 ARG 140 HB2 ARG 140 -8.170 5.693 -1.323 9 HB3 ARG 140 HB1 ARG 140 -8.412 5.087 0.310 10 HG2 ARG 140 HG2 ARG 140 -8.799 2.872 -0.496 11 HG3 ARG 140 HG1 ARG 140 -8.821 3.433 -2.169 12 HD2 ARG 140 HD2 ARG 140 -6.447 3.571 -0.311 13 HD3 ARG 140 HD1 ARG 140 -6.687 2.358 -1.568 14 HE ARG 140 HE ARG 140 -6.772 4.450 -3.087 15 HH11 ARG 140 HH11 ARG 140 -4.698 4.003 -0.301 16 HH12 ARG 140 HH12 ARG 140 -3.458 5.060 -0.892 17 HH21 ARG 140 HH21 ARG 140 -5.136 5.836 -3.878 18 HH22 ARG 140 HH22 ARG 140 -3.714 6.116 -2.920 19 H LYS 141 HN LYS 141 -12.118 3.797 -1.392 20 HA LYS 141 HA LYS 141 -13.241 3.441 1.192 21 HB2 LYS 141 HB2 LYS 141 -14.611 3.247 -0.810 22 HB3 LYS 141 HB1 LYS 141 -13.640 1.898 -1.379 23 HG2 LYS 141 HG2 LYS 141 -14.381 0.587 0.583 24 HG3 LYS 141 HG1 LYS 141 -15.434 1.929 1.040 25 HD2 LYS 141 HD2 LYS 141 -16.642 1.719 -1.061 26 HD3 LYS 141 HD1 LYS 141 -15.560 0.424 -1.572 27 HE2 LYS 141 HE2 LYS 141 -17.411 0.346 0.807 28 HE3 LYS 141 HE1 LYS 141 -17.686 -0.456 -0.738 29 HZ1 LYS 141 HZ1 LYS 141 -15.492 -1.030 1.182 30 HZ2 LYS 141 HZ2 LYS 141 -15.644 -1.745 -0.341 31 HZ3 LYS 141 HZ3 LYS 141 -16.819 -2.019 0.842 32 H ARG 142 HN ARG 142 -11.511 1.189 -0.959 33 HA ARG 142 HA ARG 142 -11.002 -0.512 1.370 34 HB2 ARG 142 HB2 ARG 142 -10.327 -2.234 -0.267 35 HB3 ARG 142 HB1 ARG 142 -11.972 -1.676 -0.519 36 HG2 ARG 142 HG2 ARG 142 -11.259 -0.318 -2.391 37 HG3 ARG 142 HG1 ARG 142 -9.576 -0.771 -2.104 38 HD2 ARG 142 HD2 ARG 142 -10.186 -3.131 -2.506 39 HD3 ARG 142 HD1 ARG 142 -11.828 -2.615 -2.886 40 HE ARG 142 HE ARG 142 -10.066 -1.178 -4.513 41 HH11 ARG 142 HH11 ARG 142 -11.196 -4.462 -4.075 42 HH12 ARG 142 HH12 ARG 142 -10.916 -4.910 -5.731 43 HH21 ARG 142 HH21 ARG 142 -9.693 -1.766 -6.680 44 HH22 ARG 142 HH22 ARG 142 -10.049 -3.379 -7.209 45 H ARG 143 HN ARG 143 -9.157 -0.221 2.398 46 HA ARG 143 HA ARG 143 -6.842 0.737 0.871 47 HB2 ARG 143 HB2 ARG 143 -7.419 0.787 3.833 48 HB3 ARG 143 HB1 ARG 143 -5.851 1.192 3.151 49 HG2 ARG 143 HG2 ARG 143 -6.989 2.973 1.811 50 HG3 ARG 143 HG1 ARG 143 -8.458 2.632 2.729 51 HD2 ARG 143 HD2 ARG 143 -7.266 4.521 3.690 52 HD3 ARG 143 HD1 ARG 143 -7.276 3.157 4.807 53 HE ARG 143 HE ARG 143 -4.931 3.173 3.191 54 HH11 ARG 143 HH11 ARG 143 -6.400 4.682 5.983 55 HH12 ARG 143 HH12 ARG 143 -4.882 5.088 6.723 56 HH21 ARG 143 HH21 ARG 143 -2.928 3.687 4.166 57 HH22 ARG 143 HH22 ARG 143 -2.903 4.514 5.691 58 H GLN 144 HN GLN 144 -5.510 -0.749 0.222 59 HA GLN 144 HA GLN 144 -5.203 -3.202 1.805 60 HB2 GLN 144 HB2 GLN 144 -5.910 -3.615 -0.488 61 HB3 GLN 144 HB1 GLN 144 -4.575 -2.648 -1.101 62 HG2 GLN 144 HG2 GLN 144 -2.997 -4.274 -0.112 63 HG3 GLN 144 HG1 GLN 144 -4.373 -5.268 0.364 64 HE21 GLN 144 HE21 GLN 144 -5.546 -6.353 -1.213 65 HE22 GLN 144 HE22 GLN 144 -4.942 -6.576 -2.817 66 H LYS 145 HN LYS 145 -3.447 -3.262 3.038 67 HA LYS 145 HA LYS 145 -1.313 -1.453 2.867 68 HB2 LYS 145 HB2 LYS 145 -1.858 -2.711 4.920 69 HB3 LYS 145 HB1 LYS 145 -1.344 -4.199 4.133 70 HG2 LYS 145 HG2 LYS 145 0.440 -3.492 5.515 71 HG3 LYS 145 HG1 LYS 145 0.919 -3.162 3.854 72 HD2 LYS 145 HD2 LYS 145 0.257 -0.820 4.139 73 HD3 LYS 145 HD1 LYS 145 -0.205 -1.156 5.808 74 HE2 LYS 145 HE2 LYS 145 1.932 -0.233 5.987 75 HE3 LYS 145 HE1 LYS 145 2.196 -1.969 6.121 76 HZ1 LYS 145 HZ1 LYS 145 2.786 -1.813 3.652 77 H SER 146 HN SER 146 0.001 -1.314 1.216 78 HA SER 146 HA SER 146 0.669 -3.620 -0.395 79 HB2 SER 146 HB2 SER 146 1.687 -0.769 -0.577 80 HB3 SER 146 HB1 SER 146 1.835 -2.018 -1.816 81 HG SER 146 HG SER 146 -0.746 -1.650 -1.007 82 H MET 147 HN MET 147 2.435 -4.847 -0.086 83 HA MET 147 HA MET 147 4.150 -4.328 2.132 84 HB2 MET 147 HB2 MET 147 4.318 -6.386 -0.070 85 HB3 MET 147 HB1 MET 147 5.409 -6.330 1.308 86 HG2 MET 147 HG2 MET 147 2.432 -6.759 1.389 87 HG3 MET 147 HG1 MET 147 3.684 -7.964 1.688 88 HE1 MET 147 HE1 MET 147 1.215 -7.325 3.655 89 HE2 MET 147 HE2 MET 147 2.030 -7.394 5.217 90 HE3 MET 147 HE3 MET 147 2.413 -8.578 3.968 91 H THR 148 HN THR 148 4.218 -3.614 -1.228 92 HA THR 148 HA THR 148 6.999 -2.853 -1.271 93 HB THR 148 HB THR 148 6.334 -1.843 -3.509 94 HG1 THR 148 HG1 THR 148 4.272 -1.770 -3.938 95 HG21 THR 148 HG21 THR 148 7.370 -4.048 -3.330 96 HG22 THR 148 HG22 THR 148 6.150 -4.037 -4.602 97 HG23 THR 148 HG23 THR 148 5.793 -4.778 -3.042 98 H GLU 149 HN GLU 149 5.046 -1.578 0.670 99 HA GLU 149 HA GLU 149 4.623 1.106 -0.184 100 HB2 GLU 149 HB2 GLU 149 3.939 1.545 2.121 101 HB3 GLU 149 HB1 GLU 149 3.191 0.076 1.508 102 HG2 GLU 149 HG2 GLU 149 4.772 -1.283 2.723 103 HG3 GLU 149 HG1 GLU 149 5.632 0.156 3.265 104 H PHE 150 HN PHE 150 7.424 -0.331 0.407 105 HA PHE 150 HA PHE 150 8.636 1.767 2.007 106 HB2 PHE 150 HB2 PHE 150 9.839 -0.728 0.791 107 HB3 PHE 150 HB1 PHE 150 10.685 0.392 1.857 108 HD1 PHE 150 HD1 PHE 150 8.607 -2.493 1.678 109 HD2 PHE 150 HD2 PHE 150 9.704 0.768 4.184 110 HE1 PHE 150 HE1 PHE 150 7.745 -3.707 3.633 111 HE2 PHE 150 HE2 PHE 150 8.847 -0.446 6.143 112 HZ PHE 150 HZ PHE 150 7.864 -2.687 5.869 113 H TYR 151 HN TYR 151 8.521 3.541 0.718 114 HA TYR 151 HA TYR 151 9.354 3.464 -2.034 115 HB2 TYR 151 HB2 TYR 151 8.673 5.863 -0.323 116 HB3 TYR 151 HB1 TYR 151 8.730 5.804 -2.082 117 HD1 TYR 151 HD1 TYR 151 6.626 5.624 0.728 118 HD2 TYR 151 HD2 TYR 151 7.116 4.018 -3.179 119 HE1 TYR 151 HE1 TYR 151 4.255 5.004 0.691 120 HE2 TYR 151 HE2 TYR 151 4.745 3.393 -3.226 121 HH TYR 151 HH TYR 151 2.918 2.960 -1.735 122 H HIS 152 HN HIS 152 11.455 3.248 -2.412 123 HA HIS 152 HA HIS 152 13.415 4.501 -0.678 124 HB2 HIS 152 HB2 HIS 152 13.754 2.755 -3.130 125 HB3 HIS 152 HB1 HIS 152 15.079 3.359 -2.142 126 HD1 HIS 152 HD1 HIS 152 15.394 2.284 0.208 127 HD2 HIS 152 HD2 HIS 152 12.341 0.606 -2.058 128 HE1 HIS 152 HE1 HIS 152 14.792 0.138 1.369 129 HE2 HIS 152 HE2 HIS 152 13.042 -0.930 -0.098 Start of MODEL 2 1 H1 GLY 139 HT1 GLY 139 -10.077 4.080 -4.123 2 H2 GLY 139 HT2 GLY 139 -10.537 2.472 -4.371 3 H3 GLY 139 HT3 GLY 139 -9.728 2.910 -2.955 4 HA2 GLY 139 HA1 GLY 139 -12.430 3.834 -3.734 5 HA3 GLY 139 HA2 GLY 139 -12.092 2.579 -2.554 6 H ARG 140 HN ARG 140 -13.569 4.872 -1.950 7 HA ARG 140 HA ARG 140 -11.833 6.723 -0.564 8 HB2 ARG 140 HB2 ARG 140 -14.842 6.447 -0.518 9 HB3 ARG 140 HB1 ARG 140 -13.935 7.764 0.207 10 HG2 ARG 140 HG2 ARG 140 -13.083 8.356 -2.039 11 HG3 ARG 140 HG1 ARG 140 -14.119 7.101 -2.722 12 HD2 ARG 140 HD2 ARG 140 -15.233 9.219 -2.925 13 HD3 ARG 140 HD1 ARG 140 -16.078 8.244 -1.726 14 HE ARG 140 HE ARG 140 -14.132 9.941 -0.520 15 HH11 ARG 140 HH11 ARG 140 -17.361 9.912 -1.875 16 HH12 ARG 140 HH12 ARG 140 -17.893 11.286 -0.961 17 HH21 ARG 140 HH21 ARG 140 -14.834 11.755 0.679 18 HH22 ARG 140 HH22 ARG 140 -16.459 12.333 0.490 19 H LYS 141 HN LYS 141 -13.478 3.790 0.105 20 HA LYS 141 HA LYS 141 -12.610 4.001 2.911 21 HB2 LYS 141 HB2 LYS 141 -14.406 2.387 3.482 22 HB3 LYS 141 HB1 LYS 141 -15.026 3.916 2.878 23 HG2 LYS 141 HG2 LYS 141 -15.478 2.926 0.725 24 HG3 LYS 141 HG1 LYS 141 -14.749 1.405 1.241 25 HD2 LYS 141 HD2 LYS 141 -16.473 1.140 2.938 26 HD3 LYS 141 HD1 LYS 141 -17.180 2.689 2.481 27 HE2 LYS 141 HE2 LYS 141 -18.418 0.812 1.516 28 HE3 LYS 141 HE1 LYS 141 -17.693 1.824 0.269 29 HZ1 LYS 141 HZ1 LYS 141 -16.514 -0.712 1.259 30 HZ2 LYS 141 HZ2 LYS 141 -15.962 0.221 -0.040 31 HZ3 LYS 141 HZ3 LYS 141 -17.450 -0.575 -0.140 32 H ARG 142 HN ARG 142 -11.642 2.167 3.816 33 HA ARG 142 HA ARG 142 -10.337 0.320 3.895 34 HB2 ARG 142 HB2 ARG 142 -11.940 -0.430 1.451 35 HB3 ARG 142 HB1 ARG 142 -10.711 -1.479 2.144 36 HG2 ARG 142 HG2 ARG 142 -13.025 -0.435 3.743 37 HG3 ARG 142 HG1 ARG 142 -13.107 -1.931 2.810 38 HD2 ARG 142 HD2 ARG 142 -11.060 -1.349 4.948 39 HD3 ARG 142 HD1 ARG 142 -12.535 -2.280 5.201 40 HE ARG 142 HE ARG 142 -11.340 -3.540 3.114 41 HH11 ARG 142 HH11 ARG 142 -10.226 -2.619 6.307 42 HH12 ARG 142 HH12 ARG 142 -9.152 -3.972 6.457 43 HH21 ARG 142 HH21 ARG 142 -9.934 -5.319 3.318 44 HH22 ARG 142 HH22 ARG 142 -8.998 -5.517 4.766 45 H ARG 143 HN ARG 143 -8.443 -0.669 2.915 46 HA ARG 143 HA ARG 143 -7.499 0.403 0.402 47 HB2 ARG 143 HB2 ARG 143 -5.470 1.388 1.265 48 HB3 ARG 143 HB1 ARG 143 -6.844 2.139 2.063 49 HG2 ARG 143 HG2 ARG 143 -6.470 0.783 4.037 50 HG3 ARG 143 HG1 ARG 143 -5.136 -0.046 3.236 51 HD2 ARG 143 HD2 ARG 143 -4.038 2.211 2.997 52 HD3 ARG 143 HD1 ARG 143 -5.288 2.842 4.069 53 HE ARG 143 HE ARG 143 -4.152 0.621 5.311 54 HH11 ARG 143 HH11 ARG 143 -3.237 3.872 4.377 55 HH12 ARG 143 HH12 ARG 143 -1.977 3.986 5.565 56 HH21 ARG 143 HH21 ARG 143 -2.512 0.772 6.867 57 HH22 ARG 143 HH22 ARG 143 -1.574 2.229 6.992 58 H GLN 144 HN GLN 144 -5.955 -0.876 -0.547 59 HA GLN 144 HA GLN 144 -5.301 -3.371 0.832 60 HB2 GLN 144 HB2 GLN 144 -4.844 -2.556 -2.048 61 HB3 GLN 144 HB1 GLN 144 -4.544 -4.151 -1.373 62 HG2 GLN 144 HG2 GLN 144 -6.926 -4.393 -0.888 63 HG3 GLN 144 HG1 GLN 144 -7.225 -2.798 -1.568 64 HE21 GLN 144 HE21 GLN 144 -8.584 -3.563 -3.156 65 HE22 GLN 144 HE22 GLN 144 -8.018 -4.488 -4.505 66 H LYS 145 HN LYS 145 -3.713 -2.765 2.249 67 HA LYS 145 HA LYS 145 -1.705 -0.889 1.735 68 HB2 LYS 145 HB2 LYS 145 -2.408 -1.609 3.992 69 HB3 LYS 145 HB1 LYS 145 -1.663 -3.176 3.711 70 HG2 LYS 145 HG2 LYS 145 -0.167 -1.892 5.036 71 HG3 LYS 145 HG1 LYS 145 0.517 -1.999 3.413 72 HD2 LYS 145 HD2 LYS 145 -0.300 0.231 2.899 73 HD3 LYS 145 HD1 LYS 145 -1.057 0.340 4.489 74 HE2 LYS 145 HE2 LYS 145 0.963 1.534 4.675 75 HE3 LYS 145 HE1 LYS 145 1.255 -0.014 5.463 76 HZ1 LYS 145 HZ1 LYS 145 2.263 -0.591 3.131 77 H SER 146 HN SER 146 -0.026 -0.995 0.460 78 HA SER 146 HA SER 146 0.984 -3.538 -0.496 79 HB2 SER 146 HB2 SER 146 2.046 -0.753 -1.040 80 HB3 SER 146 HB1 SER 146 2.342 -2.210 -1.986 81 HG SER 146 HG SER 146 -0.178 -2.101 -2.042 82 H MET 147 HN MET 147 2.540 -4.615 0.595 83 HA MET 147 HA MET 147 3.951 -3.452 2.770 84 HB2 MET 147 HB2 MET 147 5.219 -5.516 2.866 85 HB3 MET 147 HB1 MET 147 3.524 -5.889 2.595 86 HG2 MET 147 HG2 MET 147 4.002 -6.209 0.204 87 HG3 MET 147 HG1 MET 147 5.706 -5.898 0.521 88 HE1 MET 147 HE1 MET 147 5.546 -9.763 -0.209 89 HE2 MET 147 HE2 MET 147 6.281 -8.231 -0.677 90 HE3 MET 147 HE3 MET 147 4.559 -8.503 -0.945 91 H THR 148 HN THR 148 4.422 -3.549 -0.612 92 HA THR 148 HA THR 148 7.218 -2.880 -0.565 93 HB THR 148 HB THR 148 6.802 -2.435 -3.031 94 HG1 THR 148 HG1 THR 148 4.824 -2.608 -3.779 95 HG21 THR 148 HG21 THR 148 6.077 -5.146 -1.922 96 HG22 THR 148 HG22 THR 148 7.709 -4.549 -2.217 97 HG23 THR 148 HG23 THR 148 6.610 -4.820 -3.570 98 H GLU 149 HN GLU 149 5.038 -1.114 0.728 99 HA GLU 149 HA GLU 149 5.019 1.302 -0.778 100 HB2 GLU 149 HB2 GLU 149 4.012 2.322 1.216 101 HB3 GLU 149 HB1 GLU 149 3.215 0.816 0.784 102 HG2 GLU 149 HG2 GLU 149 4.423 -0.349 2.540 103 HG3 GLU 149 HG1 GLU 149 5.280 1.135 2.953 104 H PHE 150 HN PHE 150 7.394 -0.164 0.908 105 HA PHE 150 HA PHE 150 8.697 2.278 1.810 106 HB2 PHE 150 HB2 PHE 150 9.560 -0.614 2.008 107 HB3 PHE 150 HB1 PHE 150 10.447 0.749 2.683 108 HD1 PHE 150 HD1 PHE 150 7.649 -1.506 3.097 109 HD2 PHE 150 HD2 PHE 150 9.481 2.050 4.544 110 HE1 PHE 150 HE1 PHE 150 6.313 -1.661 5.157 111 HE2 PHE 150 HE2 PHE 150 8.147 1.903 6.607 112 HZ PHE 150 HZ PHE 150 6.561 0.045 6.915 113 H TYR 151 HN TYR 151 8.894 3.184 -0.287 114 HA TYR 151 HA TYR 151 10.390 1.792 -2.327 115 HB2 TYR 151 HB2 TYR 151 9.306 4.616 -2.258 116 HB3 TYR 151 HB1 TYR 151 10.012 3.833 -3.667 117 HD1 TYR 151 HD1 TYR 151 8.836 1.866 -4.686 118 HD2 TYR 151 HD2 TYR 151 7.040 4.253 -1.661 119 HE1 TYR 151 HE1 TYR 151 6.636 0.980 -5.305 120 HE2 TYR 151 HE2 TYR 151 4.835 3.373 -2.268 121 HH TYR 151 HH TYR 151 4.417 0.677 -4.305 122 H HIS 152 HN HIS 152 11.990 2.088 -0.079 123 HA HIS 152 HA HIS 152 13.786 4.305 -0.624 124 HB2 HIS 152 HB2 HIS 152 13.347 3.616 1.725 125 HB3 HIS 152 HB1 HIS 152 14.094 2.059 1.383 126 HD1 HIS 152 HD1 HIS 152 16.348 2.023 2.405 127 HD2 HIS 152 HD2 HIS 152 15.448 5.743 0.787 128 HE1 HIS 152 HE1 HIS 152 18.400 3.429 2.756 129 HE2 HIS 152 HE2 HIS 152 17.899 5.612 1.608 Start of MODEL 3 1 H1 GLY 139 HT1 GLY 139 -18.432 -2.802 -2.692 2 H2 GLY 139 HT2 GLY 139 -19.731 -3.709 -2.101 3 H3 GLY 139 HT3 GLY 139 -18.294 -3.612 -1.217 4 HA2 GLY 139 HA1 GLY 139 -20.139 -1.364 -1.784 5 HA3 GLY 139 HA2 GLY 139 -19.989 -2.204 -0.246 6 H ARG 140 HN ARG 140 -18.821 -1.149 1.200 7 HA ARG 140 HA ARG 140 -16.939 0.884 0.305 8 HB2 ARG 140 HB2 ARG 140 -18.482 1.577 2.022 9 HB3 ARG 140 HB1 ARG 140 -18.049 0.208 3.033 10 HG2 ARG 140 HG2 ARG 140 -17.050 2.259 3.863 11 HG3 ARG 140 HG1 ARG 140 -15.810 1.122 3.338 12 HD2 ARG 140 HD2 ARG 140 -15.568 2.342 1.239 13 HD3 ARG 140 HD1 ARG 140 -16.829 3.469 1.740 14 HE ARG 140 HE ARG 140 -15.001 3.603 3.749 15 HH11 ARG 140 HH11 ARG 140 -14.811 4.016 0.278 16 HH12 ARG 140 HH12 ARG 140 -13.500 5.147 0.360 17 HH21 ARG 140 HH21 ARG 140 -13.277 5.094 3.856 18 HH22 ARG 140 HH22 ARG 140 -12.627 5.759 2.390 19 H LYS 141 HN LYS 141 -15.000 0.162 -0.178 20 HA LYS 141 HA LYS 141 -13.666 -1.655 1.710 21 HB2 LYS 141 HB2 LYS 141 -13.933 -2.700 -0.482 22 HB3 LYS 141 HB1 LYS 141 -13.192 -1.309 -1.258 23 HG2 LYS 141 HG2 LYS 141 -11.080 -1.795 -0.169 24 HG3 LYS 141 HG1 LYS 141 -11.814 -3.155 0.680 25 HD2 LYS 141 HD2 LYS 141 -12.217 -4.297 -1.410 26 HD3 LYS 141 HD1 LYS 141 -11.635 -2.904 -2.321 27 HE2 LYS 141 HE2 LYS 141 -9.932 -4.637 -2.214 28 HE3 LYS 141 HE1 LYS 141 -9.410 -3.196 -1.349 29 HZ1 LYS 141 HZ1 LYS 141 -8.893 -5.203 -0.119 30 HZ2 LYS 141 HZ2 LYS 141 -10.522 -5.649 -0.103 31 HZ3 LYS 141 HZ3 LYS 141 -10.018 -4.271 0.729 32 H ARG 142 HN ARG 142 -12.067 -0.772 2.815 33 HA ARG 142 HA ARG 142 -11.162 1.885 2.271 34 HB2 ARG 142 HB2 ARG 142 -11.333 1.027 4.567 35 HB3 ARG 142 HB1 ARG 142 -10.112 -0.185 4.212 36 HG2 ARG 142 HG2 ARG 142 -8.492 1.631 3.782 37 HG3 ARG 142 HG1 ARG 142 -9.723 2.798 4.265 38 HD2 ARG 142 HD2 ARG 142 -8.237 2.350 6.118 39 HD3 ARG 142 HD1 ARG 142 -9.846 1.723 6.472 40 HE ARG 142 HE ARG 142 -8.543 -0.417 5.411 41 HH11 ARG 142 HH11 ARG 142 -7.855 1.792 8.024 42 HH12 ARG 142 HH12 ARG 142 -6.975 0.626 8.955 43 HH21 ARG 142 HH21 ARG 142 -7.398 -1.973 6.633 44 HH22 ARG 142 HH22 ARG 142 -6.700 -1.519 8.157 45 H ARG 143 HN ARG 143 -9.308 2.544 1.291 46 HA ARG 143 HA ARG 143 -7.900 0.695 -0.358 47 HB2 ARG 143 HB2 ARG 143 -8.243 3.065 -0.995 48 HB3 ARG 143 HB1 ARG 143 -7.206 3.552 0.335 49 HG2 ARG 143 HG2 ARG 143 -5.975 3.634 -1.732 50 HG3 ARG 143 HG1 ARG 143 -5.329 2.355 -0.703 51 HD2 ARG 143 HD2 ARG 143 -5.486 1.585 -2.994 52 HD3 ARG 143 HD1 ARG 143 -6.622 0.701 -1.980 53 HE ARG 143 HE ARG 143 -7.865 2.954 -3.180 54 HH11 ARG 143 HH11 ARG 143 -6.758 -0.287 -3.887 55 HH12 ARG 143 HH12 ARG 143 -7.891 -0.529 -5.179 56 HH21 ARG 143 HH21 ARG 143 -9.355 2.645 -4.881 57 HH22 ARG 143 HH22 ARG 143 -9.362 1.143 -5.754 58 H GLN 144 HN GLN 144 -6.463 -0.679 0.380 59 HA GLN 144 HA GLN 144 -5.111 -0.238 2.895 60 HB2 GLN 144 HB2 GLN 144 -4.962 -2.539 0.935 61 HB3 GLN 144 HB1 GLN 144 -4.180 -2.508 2.511 62 HG2 GLN 144 HG2 GLN 144 -7.140 -2.420 1.973 63 HG3 GLN 144 HG1 GLN 144 -6.225 -3.782 2.616 64 HE21 GLN 144 HE21 GLN 144 -4.557 -2.091 4.310 65 HE22 GLN 144 HE22 GLN 144 -5.558 -1.592 5.627 66 H LYS 145 HN LYS 145 -2.859 -0.162 3.171 67 HA LYS 145 HA LYS 145 -1.601 1.455 1.182 68 HB2 LYS 145 HB2 LYS 145 -1.454 1.810 3.642 69 HB3 LYS 145 HB1 LYS 145 -0.503 0.338 3.756 70 HG2 LYS 145 HG2 LYS 145 1.156 1.380 2.226 71 HG3 LYS 145 HG1 LYS 145 0.237 2.885 2.355 72 HD2 LYS 145 HD2 LYS 145 0.565 2.926 4.741 73 HD3 LYS 145 HD1 LYS 145 1.373 1.357 4.679 74 HE2 LYS 145 HE2 LYS 145 2.324 3.960 3.485 75 HE3 LYS 145 HE1 LYS 145 3.041 3.091 4.841 76 HZ1 LYS 145 HZ1 LYS 145 2.937 1.801 2.212 77 H SER 146 HN SER 146 0.152 0.964 -0.072 78 HA SER 146 HA SER 146 0.556 -1.806 -0.695 79 HB2 SER 146 HB2 SER 146 2.188 -0.733 -2.377 80 HB3 SER 146 HB1 SER 146 0.471 -0.384 -2.567 81 HG SER 146 HG SER 146 2.541 1.293 -2.024 82 H MET 147 HN MET 147 2.155 -3.093 -0.022 83 HA MET 147 HA MET 147 4.110 -2.113 1.843 84 HB2 MET 147 HB2 MET 147 4.858 -4.408 2.022 85 HB3 MET 147 HB1 MET 147 3.102 -4.363 2.068 86 HG2 MET 147 HG2 MET 147 2.952 -5.144 -0.181 87 HG3 MET 147 HG1 MET 147 4.691 -4.979 -0.408 88 HE1 MET 147 HE1 MET 147 1.866 -6.904 1.544 89 HE2 MET 147 HE2 MET 147 2.938 -6.375 2.839 90 HE3 MET 147 HE3 MET 147 2.811 -8.088 2.445 91 H THR 148 HN THR 148 3.954 -1.881 -1.397 92 HA THR 148 HA THR 148 6.638 -2.505 -2.113 93 HB THR 148 HB THR 148 6.073 -1.019 -4.135 94 HG1 THR 148 HG1 THR 148 4.112 -0.172 -4.226 95 HG21 THR 148 HG21 THR 148 5.992 -3.447 -4.248 96 HG22 THR 148 HG22 THR 148 4.630 -2.757 -5.128 97 HG23 THR 148 HG23 THR 148 4.385 -3.447 -3.526 98 H GLU 149 HN GLU 149 5.320 -0.136 -0.251 99 HA GLU 149 HA GLU 149 6.936 2.091 -0.974 100 HB2 GLU 149 HB2 GLU 149 6.178 3.093 1.119 101 HB3 GLU 149 HB1 GLU 149 4.828 2.354 0.262 102 HG2 GLU 149 HG2 GLU 149 4.763 0.518 1.744 103 HG3 GLU 149 HG1 GLU 149 6.316 0.948 2.460 104 H PHE 150 HN PHE 150 7.620 -0.769 0.512 105 HA PHE 150 HA PHE 150 9.685 0.244 2.280 106 HB2 PHE 150 HB2 PHE 150 8.735 -2.561 1.688 107 HB3 PHE 150 HB1 PHE 150 10.050 -2.188 2.796 108 HD1 PHE 150 HD1 PHE 150 6.442 -2.105 2.270 109 HD2 PHE 150 HD2 PHE 150 9.612 -1.136 4.933 110 HE1 PHE 150 HE1 PHE 150 4.818 -1.820 4.094 111 HE2 PHE 150 HE2 PHE 150 7.994 -0.851 6.761 112 HZ PHE 150 HZ PHE 150 5.592 -1.191 6.344 113 H TYR 151 HN TYR 151 10.925 1.203 0.556 114 HA TYR 151 HA TYR 151 12.305 -0.541 -1.277 115 HB2 TYR 151 HB2 TYR 151 12.790 2.360 -0.559 116 HB3 TYR 151 HB1 TYR 151 13.604 1.492 -1.855 117 HD1 TYR 151 HD1 TYR 151 10.618 3.263 -0.858 118 HD2 TYR 151 HD2 TYR 151 12.280 0.713 -3.828 119 HE1 TYR 151 HE1 TYR 151 8.806 3.875 -2.388 120 HE2 TYR 151 HE2 TYR 151 10.469 1.314 -5.367 121 HH TYR 151 HH TYR 151 8.201 2.176 -5.295 122 H HIS 152 HN HIS 152 13.898 -1.810 -0.661 123 HA HIS 152 HA HIS 152 15.129 -1.445 1.920 124 HB2 HIS 152 HB2 HIS 152 15.567 -3.569 -0.191 125 HB3 HIS 152 HB1 HIS 152 16.249 -3.598 1.434 126 HD1 HIS 152 HD1 HIS 152 13.290 -4.562 -0.478 127 HD2 HIS 152 HD2 HIS 152 14.217 -3.835 3.508 128 HE1 HIS 152 HE1 HIS 152 11.412 -5.575 0.851 129 HE2 HIS 152 HE2 HIS 152 11.922 -4.991 3.248 Start of MODEL 4 1 H1 GLY 139 HT1 GLY 139 -12.678 5.920 -0.993 2 H2 GLY 139 HT2 GLY 139 -12.557 6.015 0.691 3 H3 GLY 139 HT3 GLY 139 -12.240 4.555 -0.098 4 HA2 GLY 139 HA1 GLY 139 -10.642 7.041 -0.310 5 HA3 GLY 139 HA2 GLY 139 -10.180 5.589 0.565 6 H ARG 140 HN ARG 140 -8.336 6.252 -1.096 7 HA ARG 140 HA ARG 140 -8.833 5.127 -3.737 8 HB2 ARG 140 HB2 ARG 140 -6.382 6.473 -2.590 9 HB3 ARG 140 HB1 ARG 140 -6.547 5.929 -4.253 10 HG2 ARG 140 HG2 ARG 140 -8.386 7.499 -4.588 11 HG3 ARG 140 HG1 ARG 140 -8.219 8.046 -2.917 12 HD2 ARG 140 HD2 ARG 140 -6.122 8.247 -5.076 13 HD3 ARG 140 HD1 ARG 140 -7.102 9.576 -4.457 14 HE ARG 140 HE ARG 140 -5.854 8.545 -2.249 15 HH11 ARG 140 HH11 ARG 140 -4.801 9.872 -5.311 16 HH12 ARG 140 HH12 ARG 140 -3.280 10.424 -4.692 17 HH21 ARG 140 HH21 ARG 140 -3.860 9.279 -1.426 18 HH22 ARG 140 HH22 ARG 140 -2.742 10.091 -2.473 19 H LYS 141 HN LYS 141 -9.170 3.038 -2.377 20 HA LYS 141 HA LYS 141 -8.507 0.915 -1.895 21 HB2 LYS 141 HB2 LYS 141 -6.060 1.527 -3.554 22 HB3 LYS 141 HB1 LYS 141 -6.749 -0.054 -3.221 23 HG2 LYS 141 HG2 LYS 141 -8.741 0.552 -4.515 24 HG3 LYS 141 HG1 LYS 141 -8.020 2.122 -4.869 25 HD2 LYS 141 HD2 LYS 141 -6.968 -0.583 -5.696 26 HD3 LYS 141 HD1 LYS 141 -7.689 0.635 -6.746 27 HE2 LYS 141 HE2 LYS 141 -5.120 0.932 -5.195 28 HE3 LYS 141 HE1 LYS 141 -5.250 0.620 -6.921 29 HZ1 LYS 141 HZ1 LYS 141 -4.837 2.958 -6.448 30 HZ2 LYS 141 HZ2 LYS 141 -6.263 3.049 -5.545 31 HZ3 LYS 141 HZ3 LYS 141 -6.335 2.744 -7.205 32 H ARG 142 HN ARG 142 -7.943 2.735 0.064 33 HA ARG 142 HA ARG 142 -5.145 2.541 0.796 34 HB2 ARG 142 HB2 ARG 142 -5.704 4.054 2.625 35 HB3 ARG 142 HB1 ARG 142 -6.307 4.677 1.097 36 HG2 ARG 142 HG2 ARG 142 -8.546 4.015 1.644 37 HG3 ARG 142 HG1 ARG 142 -7.989 3.198 3.106 38 HD2 ARG 142 HD2 ARG 142 -7.822 6.155 2.539 39 HD3 ARG 142 HD1 ARG 142 -8.947 5.370 3.646 40 HE ARG 142 HE ARG 142 -6.602 4.584 4.649 41 HH11 ARG 142 HH11 ARG 142 -7.738 7.745 3.656 42 HH12 ARG 142 HH12 ARG 142 -6.695 8.600 4.745 43 HH21 ARG 142 HH21 ARG 142 -5.239 5.705 6.092 44 HH22 ARG 142 HH22 ARG 142 -5.270 7.440 6.127 45 H ARG 143 HN ARG 143 -8.034 0.851 1.437 46 HA ARG 143 HA ARG 143 -7.443 -0.042 4.060 47 HB2 ARG 143 HB2 ARG 143 -9.705 -0.180 3.093 48 HB3 ARG 143 HB1 ARG 143 -9.131 -1.371 1.932 49 HG2 ARG 143 HG2 ARG 143 -8.582 -2.884 3.796 50 HG3 ARG 143 HG1 ARG 143 -9.237 -1.697 4.923 51 HD2 ARG 143 HD2 ARG 143 -10.775 -3.023 2.697 52 HD3 ARG 143 HD1 ARG 143 -10.837 -3.496 4.393 53 HE ARG 143 HE ARG 143 -11.501 -0.863 4.438 54 HH11 ARG 143 HH11 ARG 143 -12.698 -3.635 2.679 55 HH12 ARG 143 HH12 ARG 143 -14.327 -3.042 2.593 56 HH21 ARG 143 HH21 ARG 143 -13.642 -0.073 4.340 57 HH22 ARG 143 HH22 ARG 143 -14.863 -1.005 3.534 58 H GLN 144 HN GLN 144 -6.937 -1.481 0.861 59 HA GLN 144 HA GLN 144 -5.668 -3.830 1.798 60 HB2 GLN 144 HB2 GLN 144 -6.684 -3.689 -0.417 61 HB3 GLN 144 HB1 GLN 144 -5.521 -2.463 -0.894 62 HG2 GLN 144 HG2 GLN 144 -4.977 -4.648 -1.827 63 HG3 GLN 144 HG1 GLN 144 -3.716 -4.073 -0.738 64 HE21 GLN 144 HE21 GLN 144 -3.274 -5.198 1.107 65 HE22 GLN 144 HE22 GLN 144 -3.995 -6.720 1.495 66 H LYS 145 HN LYS 145 -3.852 -3.800 2.935 67 HA LYS 145 HA LYS 145 -1.894 -1.806 2.928 68 HB2 LYS 145 HB2 LYS 145 -2.179 -3.493 4.722 69 HB3 LYS 145 HB1 LYS 145 -1.591 -4.735 3.628 70 HG2 LYS 145 HG2 LYS 145 0.205 -4.144 5.047 71 HG3 LYS 145 HG1 LYS 145 0.549 -3.447 3.462 72 HD2 LYS 145 HD2 LYS 145 -0.242 -1.282 4.223 73 HD3 LYS 145 HD1 LYS 145 -0.662 -1.966 5.793 74 HE2 LYS 145 HE2 LYS 145 1.413 -0.896 6.107 75 HE3 LYS 145 HE1 LYS 145 1.773 -2.617 6.017 76 HZ1 LYS 145 HZ1 LYS 145 2.163 -1.836 3.476 77 H SER 146 HN SER 146 -0.302 -1.358 1.555 78 HA SER 146 HA SER 146 0.204 -3.239 -0.633 79 HB2 SER 146 HB2 SER 146 -0.489 -0.939 -1.241 80 HB3 SER 146 HB1 SER 146 0.917 -0.304 -0.389 81 HG SER 146 HG SER 146 0.861 -1.916 -2.721 82 H MET 147 HN MET 147 2.141 -4.203 -0.863 83 HA MET 147 HA MET 147 4.099 -3.978 1.216 84 HB2 MET 147 HB2 MET 147 4.170 -5.443 -1.431 85 HB3 MET 147 HB1 MET 147 5.405 -5.576 -0.189 86 HG2 MET 147 HG2 MET 147 2.515 -6.361 0.105 87 HG3 MET 147 HG1 MET 147 3.872 -7.461 -0.137 88 HE1 MET 147 HE1 MET 147 3.122 -8.859 1.978 89 HE2 MET 147 HE2 MET 147 1.766 -7.766 2.253 90 HE3 MET 147 HE3 MET 147 2.861 -8.166 3.577 91 H THR 148 HN THR 148 3.395 -2.162 -1.461 92 HA THR 148 HA THR 148 6.051 -1.373 -2.187 93 HB THR 148 HB THR 148 3.527 0.162 -2.786 94 HG1 THR 148 HG1 THR 148 3.091 -1.258 -4.419 95 HG21 THR 148 HG21 THR 148 6.087 -0.245 -4.341 96 HG22 THR 148 HG22 THR 148 5.641 1.209 -3.451 97 HG23 THR 148 HG23 THR 148 4.705 0.720 -4.863 98 H GLU 149 HN GLU 149 4.432 -0.928 0.569 99 HA GLU 149 HA GLU 149 4.740 1.876 0.985 100 HB2 GLU 149 HB2 GLU 149 4.176 1.444 3.312 101 HB3 GLU 149 HB1 GLU 149 3.072 0.595 2.239 102 HG2 GLU 149 HG2 GLU 149 4.222 -1.486 2.640 103 HG3 GLU 149 HG1 GLU 149 5.433 -0.659 3.622 104 H PHE 150 HN PHE 150 6.965 -0.434 0.641 105 HA PHE 150 HA PHE 150 8.890 0.701 2.515 106 HB2 PHE 150 HB2 PHE 150 9.121 -1.589 0.554 107 HB3 PHE 150 HB1 PHE 150 10.432 -1.042 1.593 108 HD1 PHE 150 HD1 PHE 150 7.363 -2.951 1.392 109 HD2 PHE 150 HD2 PHE 150 10.255 -1.303 4.042 110 HE1 PHE 150 HE1 PHE 150 6.554 -4.428 3.185 111 HE2 PHE 150 HE2 PHE 150 9.450 -2.776 5.841 112 HZ PHE 150 HZ PHE 150 7.598 -4.342 5.414 113 H TYR 151 HN TYR 151 7.666 1.425 -0.440 114 HA TYR 151 HA TYR 151 9.823 3.227 -1.043 115 HB2 TYR 151 HB2 TYR 151 10.572 1.112 -2.134 116 HB3 TYR 151 HB1 TYR 151 9.091 1.112 -3.085 117 HD1 TYR 151 HD1 TYR 151 9.317 1.854 -5.259 118 HD2 TYR 151 HD2 TYR 151 11.836 3.524 -2.270 119 HE1 TYR 151 HE1 TYR 151 10.410 3.237 -6.961 120 HE2 TYR 151 HE2 TYR 151 12.935 4.912 -3.965 121 HH TYR 151 HH TYR 151 13.313 4.874 -6.423 122 H HIS 152 HN HIS 152 8.008 4.543 -0.475 123 HA HIS 152 HA HIS 152 6.429 6.076 -0.978 124 HB2 HIS 152 HB2 HIS 152 6.851 5.179 -3.836 125 HB3 HIS 152 HB1 HIS 152 5.924 6.594 -3.347 126 HD1 HIS 152 HD1 HIS 152 8.624 6.478 -5.115 127 HD2 HIS 152 HD2 HIS 152 8.254 7.659 -1.147 128 HE1 HIS 152 HE1 HIS 152 10.610 7.947 -4.660 129 HE2 HIS 152 HE2 HIS 152 10.473 8.470 -2.200 Start of MODEL 5 1 H1 GLY 139 HT1 GLY 139 -14.474 6.484 -0.122 2 H2 GLY 139 HT2 GLY 139 -15.084 6.182 1.424 3 H3 GLY 139 HT3 GLY 139 -15.520 5.179 0.136 4 HA2 GLY 139 HA1 GLY 139 -12.793 5.457 1.272 5 HA3 GLY 139 HA2 GLY 139 -13.881 4.102 1.546 6 H ARG 140 HN ARG 140 -12.069 5.854 -0.919 7 HA ARG 140 HA ARG 140 -12.553 3.924 -2.977 8 HB2 ARG 140 HB2 ARG 140 -10.426 6.065 -2.811 9 HB3 ARG 140 HB1 ARG 140 -10.872 5.170 -4.256 10 HG2 ARG 140 HG2 ARG 140 -13.104 6.151 -4.180 11 HG3 ARG 140 HG1 ARG 140 -12.661 7.043 -2.726 12 HD2 ARG 140 HD2 ARG 140 -11.419 7.330 -5.458 13 HD3 ARG 140 HD1 ARG 140 -12.499 8.478 -4.671 14 HE ARG 140 HE ARG 140 -10.000 7.843 -3.303 15 HH11 ARG 140 HH11 ARG 140 -11.827 10.071 -5.279 16 HH12 ARG 140 HH12 ARG 140 -10.779 11.416 -4.962 17 HH21 ARG 140 HH21 ARG 140 -8.594 9.605 -2.901 18 HH22 ARG 140 HH22 ARG 140 -8.933 11.149 -3.622 19 H LYS 141 HN LYS 141 -10.156 4.381 -0.505 20 HA LYS 141 HA LYS 141 -8.887 1.871 -1.332 21 HB2 LYS 141 HB2 LYS 141 -7.518 3.760 -2.152 22 HB3 LYS 141 HB1 LYS 141 -7.390 4.362 -0.507 23 HG2 LYS 141 HG2 LYS 141 -6.235 2.292 0.141 24 HG3 LYS 141 HG1 LYS 141 -6.317 1.742 -1.533 25 HD2 LYS 141 HD2 LYS 141 -4.921 4.233 -0.556 26 HD3 LYS 141 HD1 LYS 141 -4.134 2.721 -1.010 27 HE2 LYS 141 HE2 LYS 141 -5.055 2.971 -3.291 28 HE3 LYS 141 HE1 LYS 141 -5.737 4.527 -2.817 29 HZ1 LYS 141 HZ1 LYS 141 -3.652 4.828 -3.959 30 HZ2 LYS 141 HZ2 LYS 141 -2.853 3.826 -2.859 31 HZ3 LYS 141 HZ3 LYS 141 -3.486 5.306 -2.348 32 H ARG 142 HN ARG 142 -9.960 0.828 0.354 33 HA ARG 142 HA ARG 142 -8.628 1.231 2.926 34 HB2 ARG 142 HB2 ARG 142 -10.742 0.854 4.150 35 HB3 ARG 142 HB1 ARG 142 -10.768 2.338 3.210 36 HG2 ARG 142 HG2 ARG 142 -12.137 1.294 1.521 37 HG3 ARG 142 HG1 ARG 142 -12.030 -0.259 2.355 38 HD2 ARG 142 HD2 ARG 142 -13.164 0.709 4.294 39 HD3 ARG 142 HD1 ARG 142 -13.270 2.258 3.462 40 HE ARG 142 HE ARG 142 -14.534 0.663 1.737 41 HH11 ARG 142 HH11 ARG 142 -14.799 0.880 5.223 42 HH12 ARG 142 HH12 ARG 142 -16.489 0.492 5.248 43 HH21 ARG 142 HH21 ARG 142 -16.768 0.146 1.769 44 HH22 ARG 142 HH22 ARG 142 -17.604 0.065 3.288 45 H ARG 143 HN ARG 143 -8.401 -0.623 0.671 46 HA ARG 143 HA ARG 143 -9.325 -3.153 1.778 47 HB2 ARG 143 HB2 ARG 143 -9.549 -2.776 -0.637 48 HB3 ARG 143 HB1 ARG 143 -7.816 -2.546 -0.767 49 HG2 ARG 143 HG2 ARG 143 -7.546 -4.891 0.101 50 HG3 ARG 143 HG1 ARG 143 -9.289 -5.076 -0.101 51 HD2 ARG 143 HD2 ARG 143 -8.126 -5.954 -2.034 52 HD3 ARG 143 HD1 ARG 143 -9.051 -4.523 -2.486 53 HE ARG 143 HE ARG 143 -6.691 -3.422 -2.039 54 HH11 ARG 143 HH11 ARG 143 -7.465 -6.384 -3.734 55 HH12 ARG 143 HH12 ARG 143 -6.086 -6.294 -4.783 56 HH21 ARG 143 HH21 ARG 143 -4.875 -3.295 -3.415 57 HH22 ARG 143 HH22 ARG 143 -4.615 -4.530 -4.604 58 H GLN 144 HN GLN 144 -6.226 -1.992 0.446 59 HA GLN 144 HA GLN 144 -4.812 -2.846 2.804 60 HB2 GLN 144 HB2 GLN 144 -4.968 -4.969 1.598 61 HB3 GLN 144 HB1 GLN 144 -4.314 -4.212 0.152 62 HG2 GLN 144 HG2 GLN 144 -2.196 -3.867 1.218 63 HG3 GLN 144 HG1 GLN 144 -2.833 -4.434 2.760 64 HE21 GLN 144 HE21 GLN 144 -1.716 -5.354 -0.394 65 HE22 GLN 144 HE22 GLN 144 -1.606 -7.051 -0.079 66 H LYS 145 HN LYS 145 -3.088 -1.575 3.116 67 HA LYS 145 HA LYS 145 -2.469 0.515 1.288 68 HB2 LYS 145 HB2 LYS 145 -2.308 0.808 3.701 69 HB3 LYS 145 HB1 LYS 145 -1.106 -0.469 3.801 70 HG2 LYS 145 HG2 LYS 145 0.369 0.944 2.352 71 HG3 LYS 145 HG1 LYS 145 -0.809 2.245 2.555 72 HD2 LYS 145 HD2 LYS 145 -0.490 2.237 4.935 73 HD3 LYS 145 HD1 LYS 145 0.538 0.805 4.828 74 HE2 LYS 145 HE2 LYS 145 1.133 3.530 3.669 75 HE3 LYS 145 HE1 LYS 145 1.878 2.830 5.106 76 HZ1 LYS 145 HZ1 LYS 145 2.162 1.421 2.554 77 H SER 146 HN SER 146 -0.639 0.773 0.020 78 HA SER 146 HA SER 146 0.466 -1.448 -1.228 79 HB2 SER 146 HB2 SER 146 1.645 1.331 -1.019 80 HB3 SER 146 HB1 SER 146 2.064 0.117 -2.228 81 HG SER 146 HG SER 146 0.558 1.517 -3.113 82 H MET 147 HN MET 147 1.622 -2.960 -0.262 83 HA MET 147 HA MET 147 3.178 -2.600 2.071 84 HB2 MET 147 HB2 MET 147 2.189 -4.759 1.445 85 HB3 MET 147 HB1 MET 147 3.220 -4.829 0.024 86 HG2 MET 147 HG2 MET 147 5.193 -4.911 1.484 87 HG3 MET 147 HG1 MET 147 4.130 -4.903 2.890 88 HE1 MET 147 HE1 MET 147 5.339 -7.111 3.770 89 HE2 MET 147 HE2 MET 147 6.378 -7.117 2.346 90 HE3 MET 147 HE3 MET 147 5.509 -8.579 2.807 91 H THR 148 HN THR 148 3.819 -2.160 -1.268 92 HA THR 148 HA THR 148 6.661 -2.482 -1.108 93 HB THR 148 HB THR 148 5.243 -2.878 -3.167 94 HG1 THR 148 HG1 THR 148 7.397 -1.056 -3.577 95 HG21 THR 148 HG21 THR 148 5.355 0.135 -3.316 96 HG22 THR 148 HG22 THR 148 3.907 -0.843 -3.093 97 HG23 THR 148 HG23 THR 148 4.805 -0.932 -4.606 98 H GLU 149 HN GLU 149 4.920 -0.242 0.334 99 HA GLU 149 HA GLU 149 6.133 2.182 -0.528 100 HB2 GLU 149 HB2 GLU 149 5.203 3.186 1.501 101 HB3 GLU 149 HB1 GLU 149 3.998 2.210 0.672 102 HG2 GLU 149 HG2 GLU 149 4.208 0.455 2.259 103 HG3 GLU 149 HG1 GLU 149 5.622 1.208 2.995 104 H PHE 150 HN PHE 150 7.212 -0.389 1.259 105 HA PHE 150 HA PHE 150 9.223 1.139 2.717 106 HB2 PHE 150 HB2 PHE 150 8.683 -1.837 2.713 107 HB3 PHE 150 HB1 PHE 150 9.814 -1.000 3.767 108 HD1 PHE 150 HD1 PHE 150 6.452 -2.098 3.326 109 HD2 PHE 150 HD2 PHE 150 8.876 0.746 5.357 110 HE1 PHE 150 HE1 PHE 150 4.657 -1.747 4.969 111 HE2 PHE 150 HE2 PHE 150 7.085 1.101 7.006 112 HZ PHE 150 HZ PHE 150 4.975 -0.148 6.814 113 H TYR 151 HN TYR 151 9.174 0.926 -0.211 114 HA TYR 151 HA TYR 151 11.931 0.201 -0.618 115 HB2 TYR 151 HB2 TYR 151 10.670 -1.959 -0.861 116 HB3 TYR 151 HB1 TYR 151 9.795 -1.239 -2.206 117 HD1 TYR 151 HD1 TYR 151 10.614 -1.533 -4.355 118 HD2 TYR 151 HD2 TYR 151 13.286 -1.920 -1.069 119 HE1 TYR 151 HE1 TYR 151 12.387 -2.249 -5.886 120 HE2 TYR 151 HE2 TYR 151 15.067 -2.633 -2.592 121 HH TYR 151 HH TYR 151 15.281 -3.667 -4.822 122 H HIS 152 HN HIS 152 12.733 1.749 -1.862 123 HA HIS 152 HA HIS 152 10.937 3.470 -3.359 124 HB2 HIS 152 HB2 HIS 152 13.912 3.661 -2.832 125 HB3 HIS 152 HB1 HIS 152 12.983 4.856 -3.733 126 HD1 HIS 152 HD1 HIS 152 14.329 4.417 -0.525 127 HD2 HIS 152 HD2 HIS 152 10.632 5.709 -1.922 128 HE1 HIS 152 HE1 HIS 152 13.307 5.718 1.367 129 HE2 HIS 152 HE2 HIS 152 11.013 6.366 0.552 Start of MODEL 6 1 H1 GLY 139 HT1 GLY 139 -12.910 -0.697 1.794 2 H2 GLY 139 HT2 GLY 139 -13.644 0.490 2.742 3 H3 GLY 139 HT3 GLY 139 -12.007 0.620 2.343 4 HA2 GLY 139 HA1 GLY 139 -14.252 0.726 0.414 5 HA3 GLY 139 HA2 GLY 139 -13.372 2.123 1.018 6 H ARG 140 HN ARG 140 -12.712 2.661 -1.119 7 HA ARG 140 HA ARG 140 -11.019 0.745 -2.523 8 HB2 ARG 140 HB2 ARG 140 -11.109 2.212 -4.389 9 HB3 ARG 140 HB1 ARG 140 -12.726 2.217 -3.701 10 HG2 ARG 140 HG2 ARG 140 -12.186 4.330 -2.541 11 HG3 ARG 140 HG1 ARG 140 -10.620 4.339 -3.348 12 HD2 ARG 140 HD2 ARG 140 -11.823 4.317 -5.529 13 HD3 ARG 140 HD1 ARG 140 -13.337 4.486 -4.642 14 HE ARG 140 HE ARG 140 -11.211 6.492 -4.332 15 HH11 ARG 140 HH11 ARG 140 -14.468 5.657 -5.302 16 HH12 ARG 140 HH12 ARG 140 -14.957 7.305 -5.517 17 HH21 ARG 140 HH21 ARG 140 -11.840 8.648 -4.614 18 HH22 ARG 140 HH22 ARG 140 -13.456 9.018 -5.124 19 H LYS 141 HN LYS 141 -10.752 3.474 -0.450 20 HA LYS 141 HA LYS 141 -8.060 4.135 -1.342 21 HB2 LYS 141 HB2 LYS 141 -9.768 5.393 0.812 22 HB3 LYS 141 HB1 LYS 141 -8.227 6.006 0.235 23 HG2 LYS 141 HG2 LYS 141 -9.158 6.469 -1.930 24 HG3 LYS 141 HG1 LYS 141 -10.682 5.703 -1.479 25 HD2 LYS 141 HD2 LYS 141 -10.885 8.120 -1.356 26 HD3 LYS 141 HD1 LYS 141 -11.008 7.413 0.255 27 HE2 LYS 141 HE2 LYS 141 -8.619 7.942 0.623 28 HE3 LYS 141 HE1 LYS 141 -8.585 8.739 -0.948 29 HZ1 LYS 141 HZ1 LYS 141 -8.889 10.325 0.837 30 HZ2 LYS 141 HZ2 LYS 141 -10.285 9.525 1.354 31 HZ3 LYS 141 HZ3 LYS 141 -10.259 10.288 -0.152 32 H ARG 142 HN ARG 142 -6.562 2.791 -0.619 33 HA ARG 142 HA ARG 142 -5.144 1.730 0.780 34 HB2 ARG 142 HB2 ARG 142 -6.330 3.602 2.832 35 HB3 ARG 142 HB1 ARG 142 -4.853 2.671 3.044 36 HG2 ARG 142 HG2 ARG 142 -3.776 3.867 1.268 37 HG3 ARG 142 HG1 ARG 142 -5.272 4.712 0.875 38 HD2 ARG 142 HD2 ARG 142 -5.227 5.754 3.109 39 HD3 ARG 142 HD1 ARG 142 -3.685 4.957 3.425 40 HE ARG 142 HE ARG 142 -3.140 6.261 1.169 41 HH11 ARG 142 HH11 ARG 142 -4.709 7.342 4.103 42 HH12 ARG 142 HH12 ARG 142 -4.212 8.990 3.903 43 HH21 ARG 142 HH21 ARG 142 -2.500 8.419 0.899 44 HH22 ARG 142 HH22 ARG 142 -2.950 9.608 2.080 45 H ARG 143 HN ARG 143 -7.554 0.427 0.292 46 HA ARG 143 HA ARG 143 -8.573 -0.762 2.673 47 HB2 ARG 143 HB2 ARG 143 -9.823 -0.851 0.565 48 HB3 ARG 143 HB1 ARG 143 -8.533 -1.782 -0.179 49 HG2 ARG 143 HG2 ARG 143 -8.962 -3.626 1.360 50 HG3 ARG 143 HG1 ARG 143 -10.241 -2.686 2.129 51 HD2 ARG 143 HD2 ARG 143 -11.153 -4.301 0.536 52 HD3 ARG 143 HD1 ARG 143 -11.490 -2.643 0.042 53 HE ARG 143 HE ARG 143 -9.217 -3.216 -1.299 54 HH11 ARG 143 HH11 ARG 143 -12.276 -4.896 -1.006 55 HH12 ARG 143 HH12 ARG 143 -12.193 -5.582 -2.596 56 HH21 ARG 143 HH21 ARG 143 -9.108 -4.119 -3.394 57 HH22 ARG 143 HH22 ARG 143 -10.394 -5.135 -3.956 58 H GLN 144 HN GLN 144 -6.557 -2.166 0.116 59 HA GLN 144 HA GLN 144 -5.108 -3.722 2.129 60 HB2 GLN 144 HB2 GLN 144 -5.088 -3.867 -0.896 61 HB3 GLN 144 HB1 GLN 144 -4.115 -4.882 0.157 62 HG2 GLN 144 HG2 GLN 144 -7.124 -4.802 0.130 63 HG3 GLN 144 HG1 GLN 144 -6.132 -6.009 -0.684 64 HE21 GLN 144 HE21 GLN 144 -4.999 -7.512 0.549 65 HE22 GLN 144 HE22 GLN 144 -5.403 -7.839 2.197 66 H LYS 145 HN LYS 145 -3.261 -2.902 2.879 67 HA LYS 145 HA LYS 145 -2.324 -0.417 1.875 68 HB2 LYS 145 HB2 LYS 145 -2.272 -1.034 4.275 69 HB3 LYS 145 HB1 LYS 145 -1.031 -2.228 3.917 70 HG2 LYS 145 HG2 LYS 145 -0.062 -0.191 4.828 71 HG3 LYS 145 HG1 LYS 145 0.464 -0.459 3.165 72 HD2 LYS 145 HD2 LYS 145 -1.222 1.135 2.379 73 HD3 LYS 145 HD1 LYS 145 -1.737 1.409 4.044 74 HE2 LYS 145 HE2 LYS 145 -0.216 3.164 3.167 75 HE3 LYS 145 HE1 LYS 145 0.392 2.352 4.609 76 HZ1 LYS 145 HZ1 LYS 145 1.306 1.456 1.973 77 H SER 146 HN SER 146 -1.036 -0.115 0.223 78 HA SER 146 HA SER 146 0.386 -2.164 -1.096 79 HB2 SER 146 HB2 SER 146 0.776 0.836 -1.261 80 HB3 SER 146 HB1 SER 146 1.333 -0.349 -2.442 81 HG SER 146 HG SER 146 -0.963 -0.946 -2.621 82 H MET 147 HN MET 147 2.178 -3.141 -0.434 83 HA MET 147 HA MET 147 3.701 -2.190 1.781 84 HB2 MET 147 HB2 MET 147 5.089 -4.161 1.455 85 HB3 MET 147 HB1 MET 147 3.390 -4.594 1.328 86 HG2 MET 147 HG2 MET 147 3.545 -4.677 -1.074 87 HG3 MET 147 HG1 MET 147 5.214 -4.114 -1.017 88 HE1 MET 147 HE1 MET 147 5.966 -6.150 -2.559 89 HE2 MET 147 HE2 MET 147 4.287 -6.680 -2.628 90 HE3 MET 147 HE3 MET 147 5.557 -7.830 -2.214 91 H THR 148 HN THR 148 3.752 -1.364 -1.451 92 HA THR 148 HA THR 148 6.556 -1.056 -1.819 93 HB THR 148 HB THR 148 5.804 0.440 -3.757 94 HG1 THR 148 HG1 THR 148 3.765 1.023 -3.318 95 HG21 THR 148 HG21 THR 148 5.056 -1.494 -5.092 96 HG22 THR 148 HG22 THR 148 4.845 -2.420 -3.606 97 HG23 THR 148 HG23 THR 148 6.452 -1.879 -4.088 98 H GLU 149 HN GLU 149 4.467 0.556 0.128 99 HA GLU 149 HA GLU 149 5.563 3.195 -0.135 100 HB2 GLU 149 HB2 GLU 149 4.365 3.696 1.959 101 HB3 GLU 149 HB1 GLU 149 3.320 2.945 0.764 102 HG2 GLU 149 HG2 GLU 149 3.483 0.822 1.909 103 HG3 GLU 149 HG1 GLU 149 4.617 1.510 3.071 104 H PHE 150 HN PHE 150 6.841 0.426 0.852 105 HA PHE 150 HA PHE 150 8.951 1.774 2.350 106 HB2 PHE 150 HB2 PHE 150 7.553 -0.743 3.295 107 HB3 PHE 150 HB1 PHE 150 9.087 -0.173 3.936 108 HD1 PHE 150 HD1 PHE 150 9.053 2.319 4.797 109 HD2 PHE 150 HD2 PHE 150 5.620 -0.160 4.387 110 HE1 PHE 150 HE1 PHE 150 7.856 3.712 6.434 111 HE2 PHE 150 HE2 PHE 150 4.416 1.231 6.017 112 HZ PHE 150 HZ PHE 150 5.532 3.170 7.044 113 H TYR 151 HN TYR 151 7.904 -1.413 1.150 114 HA TYR 151 HA TYR 151 10.576 -2.081 0.304 115 HB2 TYR 151 HB2 TYR 151 9.069 -3.834 1.140 116 HB3 TYR 151 HB1 TYR 151 7.946 -3.504 -0.174 117 HD1 TYR 151 HD1 TYR 151 7.941 -5.199 -1.732 118 HD2 TYR 151 HD2 TYR 151 11.644 -4.065 0.024 119 HE1 TYR 151 HE1 TYR 151 9.107 -6.828 -3.148 120 HE2 TYR 151 HE2 TYR 151 12.815 -5.688 -1.383 121 HH TYR 151 HH TYR 151 11.407 -7.178 -4.056 122 H HIS 152 HN HIS 152 11.179 -0.606 -1.220 123 HA HIS 152 HA HIS 152 9.451 -0.023 -3.466 124 HB2 HIS 152 HB2 HIS 152 12.274 0.884 -2.860 125 HB3 HIS 152 HB1 HIS 152 11.277 1.477 -4.185 126 HD1 HIS 152 HD1 HIS 152 12.247 2.347 -0.879 127 HD2 HIS 152 HD2 HIS 152 8.717 2.628 -3.052 128 HE1 HIS 152 HE1 HIS 152 10.853 4.071 0.310 129 HE2 HIS 152 HE2 HIS 152 8.777 4.311 -1.095 Start of MODEL 7 1 H1 GLY 139 HT1 GLY 139 -10.342 10.401 -1.270 2 H2 GLY 139 HT2 GLY 139 -9.844 8.947 -1.968 3 H3 GLY 139 HT3 GLY 139 -10.024 9.060 -0.292 4 HA2 GLY 139 HA1 GLY 139 -12.410 9.432 -0.564 5 HA3 GLY 139 HA2 GLY 139 -12.201 9.235 -2.297 6 H ARG 140 HN ARG 140 -10.370 7.128 -2.307 7 HA ARG 140 HA ARG 140 -12.078 4.898 -1.951 8 HB2 ARG 140 HB2 ARG 140 -10.266 5.047 -3.659 9 HB3 ARG 140 HB1 ARG 140 -9.080 4.940 -2.368 10 HG2 ARG 140 HG2 ARG 140 -9.972 2.718 -1.775 11 HG3 ARG 140 HG1 ARG 140 -11.075 2.828 -3.148 12 HD2 ARG 140 HD2 ARG 140 -8.063 2.883 -3.279 13 HD3 ARG 140 HD1 ARG 140 -9.091 1.518 -3.709 14 HE ARG 140 HE ARG 140 -9.882 3.733 -5.232 15 HH11 ARG 140 HH11 ARG 140 -7.134 1.597 -4.897 16 HH12 ARG 140 HH12 ARG 140 -6.648 1.754 -6.556 17 HH21 ARG 140 HH21 ARG 140 -9.234 3.944 -7.421 18 HH22 ARG 140 HH22 ARG 140 -7.825 3.098 -7.979 19 H LYS 141 HN LYS 141 -12.563 3.953 -0.078 20 HA LYS 141 HA LYS 141 -10.785 4.334 2.206 21 HB2 LYS 141 HB2 LYS 141 -12.662 3.462 3.556 22 HB3 LYS 141 HB1 LYS 141 -13.115 4.863 2.597 23 HG2 LYS 141 HG2 LYS 141 -14.214 3.417 0.977 24 HG3 LYS 141 HG1 LYS 141 -13.728 1.998 1.906 25 HD2 LYS 141 HD2 LYS 141 -15.035 2.790 3.811 26 HD3 LYS 141 HD1 LYS 141 -15.504 4.225 2.899 27 HE2 LYS 141 HE2 LYS 141 -17.291 2.593 2.857 28 HE3 LYS 141 HE1 LYS 141 -16.612 2.787 1.242 29 HZ1 LYS 141 HZ1 LYS 141 -16.985 0.468 1.750 30 HZ2 LYS 141 HZ2 LYS 141 -16.008 0.573 3.127 31 HZ3 LYS 141 HZ3 LYS 141 -15.328 0.760 1.591 32 H ARG 142 HN ARG 142 -11.438 2.031 -0.152 33 HA ARG 142 HA ARG 142 -10.994 -0.365 1.278 34 HB2 ARG 142 HB2 ARG 142 -11.906 -0.378 -0.992 35 HB3 ARG 142 HB1 ARG 142 -10.412 0.307 -1.617 36 HG2 ARG 142 HG2 ARG 142 -9.219 -1.730 -0.877 37 HG3 ARG 142 HG1 ARG 142 -10.767 -2.418 -0.386 38 HD2 ARG 142 HD2 ARG 142 -10.032 -1.545 -3.179 39 HD3 ARG 142 HD1 ARG 142 -10.076 -3.210 -2.602 40 HE ARG 142 HE ARG 142 -12.566 -2.397 -2.074 41 HH11 ARG 142 HH11 ARG 142 -10.606 -2.108 -4.962 42 HH12 ARG 142 HH12 ARG 142 -11.968 -2.099 -6.033 43 HH21 ARG 142 HH21 ARG 142 -14.354 -2.400 -3.485 44 HH22 ARG 142 HH22 ARG 142 -14.099 -2.262 -5.195 45 H ARG 143 HN ARG 143 -9.252 -0.573 2.554 46 HA ARG 143 HA ARG 143 -6.727 0.621 1.796 47 HB2 ARG 143 HB2 ARG 143 -7.353 0.823 4.098 48 HB3 ARG 143 HB1 ARG 143 -7.595 -0.912 4.245 49 HG2 ARG 143 HG2 ARG 143 -5.225 -1.301 3.973 50 HG3 ARG 143 HG1 ARG 143 -4.948 0.422 3.708 51 HD2 ARG 143 HD2 ARG 143 -6.107 -0.756 6.225 52 HD3 ARG 143 HD1 ARG 143 -4.407 -0.347 6.010 53 HE ARG 143 HE ARG 143 -5.308 1.991 5.552 54 HH11 ARG 143 HH11 ARG 143 -6.801 -0.283 7.756 55 HH12 ARG 143 HH12 ARG 143 -7.532 0.952 8.729 56 HH21 ARG 143 HH21 ARG 143 -6.260 3.614 6.838 57 HH22 ARG 143 HH22 ARG 143 -7.220 3.169 8.213 58 H GLN 144 HN GLN 144 -5.439 -0.381 0.474 59 HA GLN 144 HA GLN 144 -5.116 -3.294 0.737 60 HB2 GLN 144 HB2 GLN 144 -5.985 -2.640 -1.474 61 HB3 GLN 144 HB1 GLN 144 -4.622 -1.552 -1.690 62 HG2 GLN 144 HG2 GLN 144 -3.093 -3.464 -1.625 63 HG3 GLN 144 HG1 GLN 144 -4.468 -4.548 -1.434 64 HE21 GLN 144 HE21 GLN 144 -2.447 -4.418 -3.532 65 HE22 GLN 144 HE22 GLN 144 -3.315 -4.221 -5.014 66 H LYS 145 HN LYS 145 -3.556 -3.167 2.331 67 HA LYS 145 HA LYS 145 -1.371 -1.382 2.276 68 HB2 LYS 145 HB2 LYS 145 -2.227 -2.518 4.324 69 HB3 LYS 145 HB1 LYS 145 -1.563 -4.030 3.721 70 HG2 LYS 145 HG2 LYS 145 0.019 -3.228 5.246 71 HG3 LYS 145 HG1 LYS 145 0.678 -2.846 3.656 72 HD2 LYS 145 HD2 LYS 145 -0.174 -0.555 3.862 73 HD3 LYS 145 HD1 LYS 145 -0.806 -0.940 5.462 74 HE2 LYS 145 HE2 LYS 145 1.250 0.162 5.823 75 HE3 LYS 145 HE1 LYS 145 1.553 -1.550 6.115 76 HZ1 LYS 145 HZ1 LYS 145 2.513 -1.583 3.808 77 H SER 146 HN SER 146 0.162 -1.398 0.803 78 HA SER 146 HA SER 146 0.967 -3.845 -0.516 79 HB2 SER 146 HB2 SER 146 1.957 -0.994 -0.795 80 HB3 SER 146 HB1 SER 146 2.440 -2.340 -1.825 81 HG SER 146 HG SER 146 0.183 -2.559 -2.373 82 H MET 147 HN MET 147 2.739 -4.999 -0.052 83 HA MET 147 HA MET 147 4.107 -4.647 2.378 84 HB2 MET 147 HB2 MET 147 4.942 -6.254 -0.043 85 HB3 MET 147 HB1 MET 147 5.617 -6.419 1.571 86 HG2 MET 147 HG2 MET 147 3.437 -7.130 2.411 87 HG3 MET 147 HG1 MET 147 2.761 -6.965 0.792 88 HE1 MET 147 HE1 MET 147 2.400 -9.620 2.410 89 HE2 MET 147 HE2 MET 147 2.792 -10.826 1.184 90 HE3 MET 147 HE3 MET 147 1.842 -9.404 0.752 91 H THR 148 HN THR 148 5.003 -3.940 -0.963 92 HA THR 148 HA THR 148 7.435 -2.614 -0.159 93 HB THR 148 HB THR 148 6.221 -2.361 -2.894 94 HG1 THR 148 HG1 THR 148 7.860 -4.566 -2.206 95 HG21 THR 148 HG21 THR 148 9.057 -2.637 -1.888 96 HG22 THR 148 HG22 THR 148 8.282 -1.138 -2.404 97 HG23 THR 148 HG23 THR 148 8.579 -2.423 -3.572 98 H GLU 149 HN GLU 149 5.129 -1.496 1.101 99 HA GLU 149 HA GLU 149 4.409 0.915 -0.235 100 HB2 GLU 149 HB2 GLU 149 3.441 1.618 1.907 101 HB3 GLU 149 HB1 GLU 149 2.944 -0.012 1.476 102 HG2 GLU 149 HG2 GLU 149 4.528 -0.949 3.039 103 HG3 GLU 149 HG1 GLU 149 5.143 0.659 3.421 104 H PHE 150 HN PHE 150 7.176 -0.088 1.190 105 HA PHE 150 HA PHE 150 8.103 2.544 2.000 106 HB2 PHE 150 HB2 PHE 150 9.556 -0.115 1.892 107 HB3 PHE 150 HB1 PHE 150 10.207 1.376 2.569 108 HD1 PHE 150 HD1 PHE 150 8.186 -1.530 3.174 109 HD2 PHE 150 HD2 PHE 150 9.070 2.391 4.571 110 HE1 PHE 150 HE1 PHE 150 7.170 -2.078 5.348 111 HE2 PHE 150 HE2 PHE 150 8.055 1.849 6.745 112 HZ PHE 150 HZ PHE 150 7.104 -0.389 7.135 113 H TYR 151 HN TYR 151 8.559 3.879 0.395 114 HA TYR 151 HA TYR 151 9.108 2.865 -2.242 115 HB2 TYR 151 HB2 TYR 151 8.876 5.702 -1.228 116 HB3 TYR 151 HB1 TYR 151 8.971 5.228 -2.919 117 HD1 TYR 151 HD1 TYR 151 7.120 3.674 -3.812 118 HD2 TYR 151 HD2 TYR 151 6.804 5.833 -0.157 119 HE1 TYR 151 HE1 TYR 151 4.682 3.427 -3.882 120 HE2 TYR 151 HE2 TYR 151 4.366 5.588 -0.216 121 HH TYR 151 HH TYR 151 2.593 5.228 -2.005 122 H HIS 152 HN HIS 152 10.819 4.025 -3.569 123 HA HIS 152 HA HIS 152 13.233 4.713 -2.137 124 HB2 HIS 152 HB2 HIS 152 13.285 2.244 -2.114 125 HB3 HIS 152 HB1 HIS 152 13.129 2.228 -3.867 126 HD1 HIS 152 HD1 HIS 152 15.262 2.118 -5.113 127 HD2 HIS 152 HD2 HIS 152 15.784 3.596 -1.268 128 HE1 HIS 152 HE1 HIS 152 17.741 2.401 -4.830 129 HE2 HIS 152 HE2 HIS 152 18.012 3.477 -2.571 Start of MODEL 8 1 H1 GLY 139 HT1 GLY 139 -19.247 6.789 4.811 2 H2 GLY 139 HT2 GLY 139 -19.438 5.114 4.896 3 H3 GLY 139 HT3 GLY 139 -20.445 6.029 3.896 4 HA2 GLY 139 HA1 GLY 139 -18.753 4.867 2.612 5 HA3 GLY 139 HA2 GLY 139 -18.607 6.614 2.481 6 H ARG 140 HN ARG 140 -16.607 4.436 2.160 7 HA ARG 140 HA ARG 140 -14.491 5.744 3.576 8 HB2 ARG 140 HB2 ARG 140 -13.659 3.703 4.720 9 HB3 ARG 140 HB1 ARG 140 -15.181 4.291 5.371 10 HG2 ARG 140 HG2 ARG 140 -16.370 2.573 4.061 11 HG3 ARG 140 HG1 ARG 140 -14.812 1.961 3.499 12 HD2 ARG 140 HD2 ARG 140 -15.675 0.652 5.382 13 HD3 ARG 140 HD1 ARG 140 -14.163 1.461 5.788 14 HE ARG 140 HE ARG 140 -16.278 3.119 6.565 15 HH11 ARG 140 HH11 ARG 140 -14.876 0.032 7.432 16 HH12 ARG 140 HH12 ARG 140 -15.386 0.124 9.087 17 HH21 ARG 140 HH21 ARG 140 -16.934 3.254 8.742 18 HH22 ARG 140 HH22 ARG 140 -16.556 1.961 9.836 19 H LYS 141 HN LYS 141 -12.523 5.416 2.637 20 HA LYS 141 HA LYS 141 -12.522 3.751 0.216 21 HB2 LYS 141 HB2 LYS 141 -10.611 5.160 -0.507 22 HB3 LYS 141 HB1 LYS 141 -12.075 6.094 -0.231 23 HG2 LYS 141 HG2 LYS 141 -11.232 6.846 1.906 24 HG3 LYS 141 HG1 LYS 141 -9.796 5.841 1.721 25 HD2 LYS 141 HD2 LYS 141 -9.147 7.134 -0.250 26 HD3 LYS 141 HD1 LYS 141 -10.591 8.132 -0.075 27 HE2 LYS 141 HE2 LYS 141 -8.596 9.233 0.832 28 HE3 LYS 141 HE1 LYS 141 -9.809 8.934 2.073 29 HZ1 LYS 141 HZ1 LYS 141 -7.514 8.400 2.762 30 HZ2 LYS 141 HZ2 LYS 141 -7.460 7.187 1.591 31 HZ3 LYS 141 HZ3 LYS 141 -8.562 7.080 2.870 32 H ARG 142 HN ARG 142 -10.570 2.550 -0.281 33 HA ARG 142 HA ARG 142 -8.879 1.976 2.045 34 HB2 ARG 142 HB2 ARG 142 -9.058 -0.448 1.614 35 HB3 ARG 142 HB1 ARG 142 -10.598 0.261 2.076 36 HG2 ARG 142 HG2 ARG 142 -11.302 0.284 -0.253 37 HG3 ARG 142 HG1 ARG 142 -9.747 -0.392 -0.737 38 HD2 ARG 142 HD2 ARG 142 -10.216 -2.402 0.577 39 HD3 ARG 142 HD1 ARG 142 -11.767 -1.722 1.069 40 HE ARG 142 HE ARG 142 -11.549 -1.770 -1.755 41 HH11 ARG 142 HH11 ARG 142 -12.078 -3.900 0.975 42 HH12 ARG 142 HH12 ARG 142 -13.020 -5.033 0.059 43 HH21 ARG 142 HH21 ARG 142 -12.760 -3.257 -2.953 44 HH22 ARG 142 HH22 ARG 142 -13.395 -4.676 -2.181 45 H ARG 143 HN ARG 143 -6.865 1.032 1.547 46 HA ARG 143 HA ARG 143 -6.102 0.712 -1.235 47 HB2 ARG 143 HB2 ARG 143 -5.695 3.118 -0.691 48 HB3 ARG 143 HB1 ARG 143 -4.616 2.590 0.592 49 HG2 ARG 143 HG2 ARG 143 -3.154 1.534 -1.043 50 HG3 ARG 143 HG1 ARG 143 -4.240 2.039 -2.340 51 HD2 ARG 143 HD2 ARG 143 -3.803 4.357 -1.873 52 HD3 ARG 143 HD1 ARG 143 -2.852 3.931 -0.448 53 HE ARG 143 HE ARG 143 -1.821 2.716 -2.808 54 HH11 ARG 143 HH11 ARG 143 -1.962 5.769 -1.109 55 HH12 ARG 143 HH12 ARG 143 -0.419 6.310 -1.687 56 HH21 ARG 143 HH21 ARG 143 0.208 3.418 -3.570 57 HH22 ARG 143 HH22 ARG 143 0.818 4.970 -3.092 58 H GLN 144 HN GLN 144 -6.249 -1.405 -0.118 59 HA GLN 144 HA GLN 144 -4.069 -2.029 1.700 60 HB2 GLN 144 HB2 GLN 144 -6.328 -2.867 2.209 61 HB3 GLN 144 HB1 GLN 144 -6.332 -3.764 0.696 62 HG2 GLN 144 HG2 GLN 144 -4.392 -5.058 1.503 63 HG3 GLN 144 HG1 GLN 144 -4.503 -4.206 3.040 64 HE21 GLN 144 HE21 GLN 144 -5.921 -6.589 0.975 65 HE22 GLN 144 HE22 GLN 144 -7.023 -7.244 2.140 66 H LYS 145 HN LYS 145 -2.182 -2.297 0.677 67 HA LYS 145 HA LYS 145 -1.962 -4.650 -0.978 68 HB2 LYS 145 HB2 LYS 145 -0.889 -3.685 -2.832 69 HB3 LYS 145 HB1 LYS 145 -2.267 -2.645 -2.531 70 HG2 LYS 145 HG2 LYS 145 0.547 -2.045 -1.649 71 HG3 LYS 145 HG1 LYS 145 -0.197 -1.431 -3.122 72 HD2 LYS 145 HD2 LYS 145 -1.984 -0.420 -1.645 73 HD3 LYS 145 HD1 LYS 145 -0.956 -0.838 -0.269 74 HE2 LYS 145 HE2 LYS 145 -0.264 0.979 -2.573 75 HE3 LYS 145 HE1 LYS 145 -0.546 1.452 -0.898 76 HZ1 LYS 145 HZ1 LYS 145 1.706 -0.279 -1.673 77 H SER 146 HN SER 146 0.711 -4.542 -1.613 78 HA SER 146 HA SER 146 1.977 -5.259 0.739 79 HB2 SER 146 HB2 SER 146 3.242 -4.159 -1.780 80 HB3 SER 146 HB1 SER 146 4.093 -5.049 -0.517 81 HG SER 146 HG SER 146 1.846 -6.312 -1.496 82 H MET 147 HN MET 147 2.405 -4.076 2.480 83 HA MET 147 HA MET 147 2.540 -1.242 2.478 84 HB2 MET 147 HB2 MET 147 3.358 -3.263 4.567 85 HB3 MET 147 HB1 MET 147 3.357 -1.525 4.834 86 HG2 MET 147 HG2 MET 147 0.961 -3.216 4.158 87 HG3 MET 147 HG1 MET 147 1.357 -2.555 5.743 88 HE1 MET 147 HE1 MET 147 -1.472 -2.166 4.275 89 HE2 MET 147 HE2 MET 147 -1.782 -0.469 4.644 90 HE3 MET 147 HE3 MET 147 -1.096 -1.527 5.876 91 H THR 148 HN THR 148 4.747 -3.596 1.600 92 HA THR 148 HA THR 148 7.178 -2.222 2.216 93 HB THR 148 HB THR 148 6.968 -4.223 -0.004 94 HG1 THR 148 HG1 THR 148 6.821 -5.893 1.516 95 HG21 THR 148 HG21 THR 148 9.153 -3.256 0.658 96 HG22 THR 148 HG22 THR 148 9.080 -5.001 0.898 97 HG23 THR 148 HG23 THR 148 8.924 -3.915 2.277 98 H GLU 149 HN GLU 149 4.824 -1.119 0.458 99 HA GLU 149 HA GLU 149 5.932 -0.583 -2.092 100 HB2 GLU 149 HB2 GLU 149 4.061 1.041 -2.290 101 HB3 GLU 149 HB1 GLU 149 3.541 -0.555 -1.760 102 HG2 GLU 149 HG2 GLU 149 3.508 0.256 0.566 103 HG3 GLU 149 HG1 GLU 149 3.959 1.858 -0.005 104 H PHE 150 HN PHE 150 6.712 0.582 0.871 105 HA PHE 150 HA PHE 150 7.508 3.229 -0.043 106 HB2 PHE 150 HB2 PHE 150 7.743 1.926 2.678 107 HB3 PHE 150 HB1 PHE 150 8.204 3.585 2.312 108 HD1 PHE 150 HD1 PHE 150 6.393 5.152 1.446 109 HD2 PHE 150 HD2 PHE 150 5.558 1.404 3.280 110 HE1 PHE 150 HE1 PHE 150 4.092 5.891 1.897 111 HE2 PHE 150 HE2 PHE 150 3.253 2.136 3.735 112 HZ PHE 150 HZ PHE 150 2.518 4.381 3.042 113 H TYR 151 HN TYR 151 9.155 2.852 -1.464 114 HA TYR 151 HA TYR 151 11.283 1.014 -0.889 115 HB2 TYR 151 HB2 TYR 151 10.988 3.088 -3.069 116 HB3 TYR 151 HB1 TYR 151 12.281 1.901 -2.989 117 HD1 TYR 151 HD1 TYR 151 8.687 2.400 -3.587 118 HD2 TYR 151 HD2 TYR 151 11.891 -0.402 -3.596 119 HE1 TYR 151 HE1 TYR 151 7.289 0.811 -4.824 120 HE2 TYR 151 HE2 TYR 151 10.500 -1.996 -4.832 121 HH TYR 151 HH TYR 151 8.036 -2.437 -5.134 122 H HIS 152 HN HIS 152 13.581 1.742 -1.052 123 HA HIS 152 HA HIS 152 15.369 2.851 -0.223 124 HB2 HIS 152 HB2 HIS 152 14.507 4.672 -1.716 125 HB3 HIS 152 HB1 HIS 152 13.633 5.328 -0.339 126 HD1 HIS 152 HD1 HIS 152 14.939 6.743 1.309 127 HD2 HIS 152 HD2 HIS 152 17.345 4.940 -1.560 128 HE1 HIS 152 HE1 HIS 152 17.194 7.832 1.535 129 HE2 HIS 152 HE2 HIS 152 18.598 6.813 -0.286 Start of MODEL 9 1 H1 GLY 139 HT1 GLY 139 -15.518 6.649 1.959 2 H2 GLY 139 HT2 GLY 139 -16.181 7.072 3.456 3 H3 GLY 139 HT3 GLY 139 -16.832 7.710 2.032 4 HA2 GLY 139 HA1 GLY 139 -18.248 5.969 2.894 5 HA3 GLY 139 HA2 GLY 139 -17.568 5.535 1.335 6 H ARG 140 HN ARG 140 -17.612 3.333 1.569 7 HA ARG 140 HA ARG 140 -16.051 2.228 3.808 8 HB2 ARG 140 HB2 ARG 140 -18.173 0.900 2.111 9 HB3 ARG 140 HB1 ARG 140 -17.230 0.094 3.353 10 HG2 ARG 140 HG2 ARG 140 -18.176 1.694 5.013 11 HG3 ARG 140 HG1 ARG 140 -19.232 2.307 3.735 12 HD2 ARG 140 HD2 ARG 140 -19.125 -0.534 4.743 13 HD3 ARG 140 HD1 ARG 140 -20.377 0.647 5.117 14 HE ARG 140 HE ARG 140 -20.738 0.644 2.586 15 HH11 ARG 140 HH11 ARG 140 -19.687 -2.163 4.403 16 HH12 ARG 140 HH12 ARG 140 -20.394 -3.297 3.299 17 HH21 ARG 140 HH21 ARG 140 -21.676 -0.859 1.139 18 HH22 ARG 140 HH22 ARG 140 -21.516 -2.559 1.447 19 H LYS 141 HN LYS 141 -14.968 3.325 1.324 20 HA LYS 141 HA LYS 141 -14.082 1.015 -0.186 21 HB2 LYS 141 HB2 LYS 141 -14.573 3.129 -1.350 22 HB3 LYS 141 HB1 LYS 141 -13.313 3.930 -0.423 23 HG2 LYS 141 HG2 LYS 141 -11.651 2.407 -1.430 24 HG3 LYS 141 HG1 LYS 141 -12.936 1.712 -2.420 25 HD2 LYS 141 HD2 LYS 141 -13.340 3.893 -3.437 26 HD3 LYS 141 HD1 LYS 141 -12.076 4.603 -2.432 27 HE2 LYS 141 HE2 LYS 141 -10.427 3.123 -3.472 28 HE3 LYS 141 HE1 LYS 141 -11.691 2.426 -4.483 29 HZ1 LYS 141 HZ1 LYS 141 -10.427 4.105 -5.665 30 HZ2 LYS 141 HZ2 LYS 141 -10.832 5.266 -4.508 31 HZ3 LYS 141 HZ3 LYS 141 -12.036 4.593 -5.485 32 H ARG 142 HN ARG 142 -12.713 -0.224 0.957 33 HA ARG 142 HA ARG 142 -10.455 1.091 2.302 34 HB2 ARG 142 HB2 ARG 142 -11.902 -0.360 3.715 35 HB3 ARG 142 HB1 ARG 142 -11.501 -1.723 2.679 36 HG2 ARG 142 HG2 ARG 142 -10.171 -1.808 4.679 37 HG3 ARG 142 HG1 ARG 142 -9.129 -1.458 3.298 38 HD2 ARG 142 HD2 ARG 142 -9.229 0.940 3.879 39 HD3 ARG 142 HD1 ARG 142 -10.186 0.534 5.301 40 HE ARG 142 HE ARG 142 -7.930 -0.990 5.520 41 HH11 ARG 142 HH11 ARG 142 -8.581 2.430 5.189 42 HH12 ARG 142 HH12 ARG 142 -7.160 2.913 6.058 43 HH21 ARG 142 HH21 ARG 142 -6.068 -0.361 6.679 44 HH22 ARG 142 HH22 ARG 142 -5.734 1.325 6.914 45 H ARG 143 HN ARG 143 -8.757 1.203 0.990 46 HA ARG 143 HA ARG 143 -8.160 -1.140 -0.686 47 HB2 ARG 143 HB2 ARG 143 -8.687 0.821 -2.026 48 HB3 ARG 143 HB1 ARG 143 -7.477 1.763 -1.168 49 HG2 ARG 143 HG2 ARG 143 -6.713 1.044 -3.384 50 HG3 ARG 143 HG1 ARG 143 -5.707 0.399 -2.084 51 HD2 ARG 143 HD2 ARG 143 -6.864 -1.737 -2.233 52 HD3 ARG 143 HD1 ARG 143 -7.913 -1.099 -3.498 53 HE ARG 143 HE ARG 143 -5.485 -0.721 -4.562 54 HH11 ARG 143 HH11 ARG 143 -6.891 -3.520 -2.996 55 HH12 ARG 143 HH12 ARG 143 -5.998 -4.659 -3.948 56 HH21 ARG 143 HH21 ARG 143 -4.302 -2.222 -5.804 57 HH22 ARG 143 HH22 ARG 143 -4.514 -3.923 -5.535 58 H GLN 144 HN GLN 144 -6.484 -2.257 -0.107 59 HA GLN 144 HA GLN 144 -4.709 -1.392 1.958 60 HB2 GLN 144 HB2 GLN 144 -5.450 -3.729 1.746 61 HB3 GLN 144 HB1 GLN 144 -4.634 -3.848 0.194 62 HG2 GLN 144 HG2 GLN 144 -2.485 -3.410 1.348 63 HG3 GLN 144 HG1 GLN 144 -3.349 -3.450 2.885 64 HE21 GLN 144 HE21 GLN 144 -1.209 -5.164 1.890 65 HE22 GLN 144 HE22 GLN 144 -1.825 -6.778 1.934 66 H LYS 145 HN LYS 145 -2.884 -0.300 1.726 67 HA LYS 145 HA LYS 145 -1.724 0.128 -0.884 68 HB2 LYS 145 HB2 LYS 145 -1.962 1.941 0.775 69 HB3 LYS 145 HB1 LYS 145 -0.908 1.064 1.871 70 HG2 LYS 145 HG2 LYS 145 0.904 1.255 0.186 71 HG3 LYS 145 HG1 LYS 145 -0.168 2.288 -0.769 72 HD2 LYS 145 HD2 LYS 145 -0.333 3.861 1.057 73 HD3 LYS 145 HD1 LYS 145 0.632 2.802 2.084 74 HE2 LYS 145 HE2 LYS 145 1.549 4.203 -0.428 75 HE3 LYS 145 HE1 LYS 145 1.991 4.629 1.224 76 HZ1 LYS 145 HZ1 LYS 145 2.858 2.213 -0.214 77 H SER 146 HN SER 146 0.334 -0.559 -1.502 78 HA SER 146 HA SER 146 1.216 -3.058 -0.573 79 HB2 SER 146 HB2 SER 146 2.836 -1.043 -2.141 80 HB3 SER 146 HB1 SER 146 3.022 -2.798 -2.139 81 HG SER 146 HG SER 146 1.863 -2.157 -3.966 82 H MET 147 HN MET 147 2.132 -3.445 1.325 83 HA MET 147 HA MET 147 3.275 -1.471 2.983 84 HB2 MET 147 HB2 MET 147 2.247 -3.576 3.805 85 HB3 MET 147 HB1 MET 147 3.602 -4.473 3.137 86 HG2 MET 147 HG2 MET 147 5.124 -3.312 4.643 87 HG3 MET 147 HG1 MET 147 3.773 -2.395 5.305 88 HE1 MET 147 HE1 MET 147 4.479 -3.148 7.758 89 HE2 MET 147 HE2 MET 147 5.824 -4.075 7.094 90 HE3 MET 147 HE3 MET 147 4.713 -4.830 8.234 91 H THR 148 HN THR 148 4.578 -3.478 0.489 92 HA THR 148 HA THR 148 7.330 -3.124 1.271 93 HB THR 148 HB THR 148 6.414 -4.003 -1.461 94 HG1 THR 148 HG1 THR 148 6.129 -5.284 1.022 95 HG21 THR 148 HG21 THR 148 8.827 -3.713 -1.108 96 HG22 THR 148 HG22 THR 148 8.421 -5.413 -1.332 97 HG23 THR 148 HG23 THR 148 8.756 -4.795 0.285 98 H GLU 149 HN GLU 149 5.466 -0.777 0.661 99 HA GLU 149 HA GLU 149 6.579 0.517 -1.619 100 HB2 GLU 149 HB2 GLU 149 5.404 2.509 -0.854 101 HB3 GLU 149 HB1 GLU 149 4.351 1.105 -0.732 102 HG2 GLU 149 HG2 GLU 149 4.710 0.981 1.641 103 HG3 GLU 149 HG1 GLU 149 5.902 2.276 1.566 104 H PHE 150 HN PHE 150 7.672 -0.096 1.433 105 HA PHE 150 HA PHE 150 9.455 2.191 1.606 106 HB2 PHE 150 HB2 PHE 150 9.287 -0.214 3.437 107 HB3 PHE 150 HB1 PHE 150 10.101 1.311 3.771 108 HD1 PHE 150 HD1 PHE 150 8.521 3.433 3.605 109 HD2 PHE 150 HD2 PHE 150 7.198 -0.543 4.326 110 HE1 PHE 150 HE1 PHE 150 6.457 4.307 4.620 111 HE2 PHE 150 HE2 PHE 150 5.135 0.320 5.343 112 HZ PHE 150 HZ PHE 150 4.761 2.749 5.491 113 H TYR 151 HN TYR 151 10.282 1.411 -0.544 114 HA TYR 151 HA TYR 151 12.744 -0.032 -0.169 115 HB2 TYR 151 HB2 TYR 151 10.896 -1.779 -0.565 116 HB3 TYR 151 HB1 TYR 151 10.810 -1.143 -2.203 117 HD1 TYR 151 HD1 TYR 151 12.609 -1.560 -3.791 118 HD2 TYR 151 HD2 TYR 151 12.828 -3.031 0.190 119 HE1 TYR 151 HE1 TYR 151 14.437 -3.054 -4.450 120 HE2 TYR 151 HE2 TYR 151 14.662 -4.518 -0.453 121 HH TYR 151 HH TYR 151 16.350 -4.230 -3.355 122 H HIS 152 HN HIS 152 13.555 1.981 -0.795 123 HA HIS 152 HA HIS 152 14.375 3.557 -2.196 124 HB2 HIS 152 HB2 HIS 152 13.705 1.514 -4.325 125 HB3 HIS 152 HB1 HIS 152 14.654 2.969 -4.600 126 HD1 HIS 152 HD1 HIS 152 15.285 -0.381 -4.409 127 HD2 HIS 152 HD2 HIS 152 16.841 2.844 -2.301 128 HE1 HIS 152 HE1 HIS 152 17.504 -1.158 -3.522 129 HE2 HIS 152 HE2 HIS 152 18.498 0.863 -2.399 Start of MODEL 10 1 H1 GLY 139 HT1 GLY 139 -17.338 5.463 -3.276 2 H2 GLY 139 HT2 GLY 139 -18.564 6.552 -2.881 3 H3 GLY 139 HT3 GLY 139 -18.896 4.895 -2.950 4 HA2 GLY 139 HA1 GLY 139 -17.120 6.242 -0.996 5 HA3 GLY 139 HA2 GLY 139 -18.728 5.619 -0.662 6 H ARG 140 HN ARG 140 -15.572 4.569 -1.927 7 HA ARG 140 HA ARG 140 -15.982 2.015 -0.517 8 HB2 ARG 140 HB2 ARG 140 -14.502 2.565 -3.088 9 HB3 ARG 140 HB1 ARG 140 -14.375 1.058 -2.199 10 HG2 ARG 140 HG2 ARG 140 -16.734 0.629 -2.529 11 HG3 ARG 140 HG1 ARG 140 -16.916 2.179 -3.355 12 HD2 ARG 140 HD2 ARG 140 -15.381 1.454 -5.088 13 HD3 ARG 140 HD1 ARG 140 -15.133 -0.078 -4.258 14 HE ARG 140 HE ARG 140 -17.766 -0.122 -4.640 15 HH11 ARG 140 HH11 ARG 140 -15.156 0.733 -6.809 16 HH12 ARG 140 HH12 ARG 140 -15.987 0.190 -8.231 17 HH21 ARG 140 HH21 ARG 140 -18.870 -0.840 -6.514 18 HH22 ARG 140 HH22 ARG 140 -18.108 -0.698 -8.065 19 H LYS 141 HN LYS 141 -14.203 1.131 0.571 20 HA LYS 141 HA LYS 141 -12.037 3.060 1.078 21 HB2 LYS 141 HB2 LYS 141 -13.131 0.888 2.874 22 HB3 LYS 141 HB1 LYS 141 -11.757 1.913 3.260 23 HG2 LYS 141 HG2 LYS 141 -13.251 3.887 3.086 24 HG3 LYS 141 HG1 LYS 141 -14.609 2.781 2.867 25 HD2 LYS 141 HD2 LYS 141 -14.136 1.771 5.046 26 HD3 LYS 141 HD1 LYS 141 -12.777 2.875 5.262 27 HE2 LYS 141 HE2 LYS 141 -14.351 4.776 5.098 28 HE3 LYS 141 HE1 LYS 141 -15.685 3.628 5.002 29 HZ1 LYS 141 HZ1 LYS 141 -14.981 2.771 7.189 30 HZ2 LYS 141 HZ2 LYS 141 -15.464 4.387 7.240 31 HZ3 LYS 141 HZ3 LYS 141 -13.819 3.997 7.279 32 H ARG 142 HN ARG 142 -10.022 2.504 0.584 33 HA ARG 142 HA ARG 142 -9.559 -0.188 -0.465 34 HB2 ARG 142 HB2 ARG 142 -8.984 1.728 -1.897 35 HB3 ARG 142 HB1 ARG 142 -7.885 2.323 -0.663 36 HG2 ARG 142 HG2 ARG 142 -6.516 0.309 -0.923 37 HG3 ARG 142 HG1 ARG 142 -7.610 -0.258 -2.187 38 HD2 ARG 142 HD2 ARG 142 -5.633 0.790 -3.153 39 HD3 ARG 142 HD1 ARG 142 -7.085 1.715 -3.531 40 HE ARG 142 HE ARG 142 -6.015 2.823 -1.228 41 HH11 ARG 142 HH11 ARG 142 -5.072 2.402 -4.569 42 HH12 ARG 142 HH12 ARG 142 -4.037 3.794 -4.583 43 HH21 ARG 142 HH21 ARG 142 -4.661 4.665 -1.257 44 HH22 ARG 142 HH22 ARG 142 -3.813 5.084 -2.713 45 H ARG 143 HN ARG 143 -9.237 -1.417 1.352 46 HA ARG 143 HA ARG 143 -7.429 -0.567 3.433 47 HB2 ARG 143 HB2 ARG 143 -7.942 -2.671 4.499 48 HB3 ARG 143 HB1 ARG 143 -9.435 -1.966 3.897 49 HG2 ARG 143 HG2 ARG 143 -9.301 -3.451 1.932 50 HG3 ARG 143 HG1 ARG 143 -7.864 -4.197 2.632 51 HD2 ARG 143 HD2 ARG 143 -9.796 -5.555 3.112 52 HD3 ARG 143 HD1 ARG 143 -9.196 -4.834 4.605 53 HE ARG 143 HE ARG 143 -11.069 -3.080 3.949 54 HH11 ARG 143 HH11 ARG 143 -11.155 -6.576 3.923 55 HH12 ARG 143 HH12 ARG 143 -12.867 -6.664 4.184 56 HH21 ARG 143 HH21 ARG 143 -13.324 -3.185 4.296 57 HH22 ARG 143 HH22 ARG 143 -14.102 -4.732 4.393 58 H GLN 144 HN GLN 144 -5.664 -2.094 4.125 59 HA GLN 144 HA GLN 144 -3.617 -2.968 3.759 60 HB2 GLN 144 HB2 GLN 144 -4.842 -4.915 2.919 61 HB3 GLN 144 HB1 GLN 144 -4.916 -4.194 1.317 62 HG2 GLN 144 HG2 GLN 144 -2.499 -4.314 1.125 63 HG3 GLN 144 HG1 GLN 144 -2.386 -4.978 2.753 64 HE21 GLN 144 HE21 GLN 144 -1.362 -6.816 1.995 65 HE22 GLN 144 HE22 GLN 144 -2.204 -8.060 1.139 66 H LYS 145 HN LYS 145 -2.682 -0.968 3.478 67 HA LYS 145 HA LYS 145 -2.527 0.457 1.064 68 HB2 LYS 145 HB2 LYS 145 -2.078 1.455 3.236 69 HB3 LYS 145 HB1 LYS 145 -0.708 0.381 3.475 70 HG2 LYS 145 HG2 LYS 145 0.372 1.435 1.498 71 HG3 LYS 145 HG1 LYS 145 -0.956 2.598 1.469 72 HD2 LYS 145 HD2 LYS 145 -0.387 3.426 3.618 73 HD3 LYS 145 HD1 LYS 145 0.763 2.111 3.883 74 HE2 LYS 145 HE2 LYS 145 0.993 4.284 1.804 75 HE3 LYS 145 HE1 LYS 145 1.904 4.200 3.309 76 HZ1 LYS 145 HZ1 LYS 145 2.141 2.173 1.181 77 H SER 146 HN SER 146 -0.884 0.585 -0.472 78 HA SER 146 HA SER 146 0.301 -1.761 -1.355 79 HB2 SER 146 HB2 SER 146 1.294 1.041 -1.915 80 HB3 SER 146 HB1 SER 146 1.520 -0.385 -2.927 81 HG SER 146 HG SER 146 -1.054 -0.208 -2.572 82 H MET 147 HN MET 147 1.711 -2.922 -0.254 83 HA MET 147 HA MET 147 3.415 -1.811 1.755 84 HB2 MET 147 HB2 MET 147 3.277 -4.595 0.593 85 HB3 MET 147 HB1 MET 147 4.187 -4.144 2.027 86 HG2 MET 147 HG2 MET 147 2.262 -3.743 3.274 87 HG3 MET 147 HG1 MET 147 1.244 -3.641 1.840 88 HE1 MET 147 HE1 MET 147 3.995 -6.357 2.436 89 HE2 MET 147 HE2 MET 147 3.095 -7.601 3.302 90 HE3 MET 147 HE3 MET 147 3.411 -6.047 4.071 91 H THR 148 HN THR 148 3.706 -2.007 -1.549 92 HA THR 148 HA THR 148 6.509 -2.537 -1.722 93 HB THR 148 HB THR 148 6.120 -1.503 -4.089 94 HG1 THR 148 HG1 THR 148 4.147 -0.807 -4.391 95 HG21 THR 148 HG21 THR 148 6.459 -3.890 -3.666 96 HG22 THR 148 HG22 THR 148 5.211 -3.640 -4.886 97 HG23 THR 148 HG23 THR 148 4.758 -4.062 -3.234 98 H GLU 149 HN GLU 149 4.920 0.012 -0.474 99 HA GLU 149 HA GLU 149 6.423 2.176 -1.581 100 HB2 GLU 149 HB2 GLU 149 5.460 3.529 0.230 101 HB3 GLU 149 HB1 GLU 149 4.230 2.590 -0.604 102 HG2 GLU 149 HG2 GLU 149 4.106 1.021 1.179 103 HG3 GLU 149 HG1 GLU 149 5.515 1.726 1.970 104 H PHE 150 HN PHE 150 7.187 -0.242 0.516 105 HA PHE 150 HA PHE 150 9.038 1.298 2.140 106 HB2 PHE 150 HB2 PHE 150 8.342 -1.643 2.127 107 HB3 PHE 150 HB1 PHE 150 9.526 -0.919 3.210 108 HD1 PHE 150 HD1 PHE 150 6.006 -1.426 2.524 109 HD2 PHE 150 HD2 PHE 150 8.805 0.697 4.927 110 HE1 PHE 150 HE1 PHE 150 4.213 -0.863 4.113 111 HE2 PHE 150 HE2 PHE 150 7.018 1.260 6.518 112 HZ PHE 150 HZ PHE 150 4.717 0.479 6.112 113 H TYR 151 HN TYR 151 10.694 1.960 0.921 114 HA TYR 151 HA TYR 151 11.970 0.227 -0.999 115 HB2 TYR 151 HB2 TYR 151 11.739 2.667 -1.389 116 HB3 TYR 151 HB1 TYR 151 12.791 2.969 -0.013 117 HD1 TYR 151 HD1 TYR 151 15.175 2.682 -0.187 118 HD2 TYR 151 HD2 TYR 151 12.649 1.707 -3.468 119 HE1 TYR 151 HE1 TYR 151 17.135 2.567 -1.654 120 HE2 TYR 151 HE2 TYR 151 14.602 1.591 -4.942 121 HH TYR 151 HH TYR 151 17.766 1.457 -3.802 122 H HIS 152 HN HIS 152 13.394 -1.250 -0.430 123 HA HIS 152 HA HIS 152 14.732 -1.134 2.135 124 HB2 HIS 152 HB2 HIS 152 13.760 -3.244 1.088 125 HB3 HIS 152 HB1 HIS 152 15.115 -3.202 -0.034 126 HD1 HIS 152 HD1 HIS 152 14.140 -4.757 2.979 127 HD2 HIS 152 HD2 HIS 152 17.701 -3.112 1.608 128 HE1 HIS 152 HE1 HIS 152 15.950 -5.794 4.383 129 HE2 HIS 152 HE2 HIS 152 18.102 -4.860 3.474 Start of MODEL 11 1 H1 GLY 139 HT1 GLY 139 -2.845 2.068 -5.276 2 H2 GLY 139 HT2 GLY 139 -3.543 3.357 -6.121 3 H3 GLY 139 HT3 GLY 139 -3.820 1.764 -6.625 4 HA2 GLY 139 HA1 GLY 139 -5.748 2.639 -5.469 5 HA3 GLY 139 HA2 GLY 139 -5.029 1.284 -4.607 6 H ARG 140 HN ARG 140 -6.007 2.038 -2.670 7 HA ARG 140 HA ARG 140 -4.797 4.470 -1.545 8 HB2 ARG 140 HB2 ARG 140 -7.191 2.843 -0.671 9 HB3 ARG 140 HB1 ARG 140 -6.537 4.192 0.245 10 HG2 ARG 140 HG2 ARG 140 -7.619 4.368 -2.560 11 HG3 ARG 140 HG1 ARG 140 -8.498 4.812 -1.095 12 HD2 ARG 140 HD2 ARG 140 -6.757 6.479 -0.591 13 HD3 ARG 140 HD1 ARG 140 -5.945 6.065 -2.100 14 HE ARG 140 HE ARG 140 -8.653 6.802 -2.551 15 HH11 ARG 140 HH11 ARG 140 -5.502 8.135 -1.815 16 HH12 ARG 140 HH12 ARG 140 -5.826 9.665 -2.564 17 HH21 ARG 140 HH21 ARG 140 -9.089 8.825 -3.548 18 HH22 ARG 140 HH22 ARG 140 -7.866 10.058 -3.541 19 H LYS 141 HN LYS 141 -3.318 4.340 0.041 20 HA LYS 141 HA LYS 141 -2.294 1.758 0.770 21 HB2 LYS 141 HB2 LYS 141 -1.500 4.558 1.573 22 HB3 LYS 141 HB1 LYS 141 -0.660 3.116 2.130 23 HG2 LYS 141 HG2 LYS 141 -0.074 2.546 -0.153 24 HG3 LYS 141 HG1 LYS 141 -0.977 3.940 -0.750 25 HD2 LYS 141 HD2 LYS 141 0.531 5.451 0.367 26 HD3 LYS 141 HD1 LYS 141 1.380 4.101 1.125 27 HE2 LYS 141 HE2 LYS 141 2.165 3.327 -1.009 28 HE3 LYS 141 HE1 LYS 141 1.191 4.531 -1.851 29 HZ1 LYS 141 HZ1 LYS 141 2.517 6.270 -0.815 30 HZ2 LYS 141 HZ2 LYS 141 3.493 5.221 -1.714 31 HZ3 LYS 141 HZ3 LYS 141 3.461 5.108 -0.027 32 H ARG 142 HN ARG 142 -4.705 1.566 1.658 33 HA ARG 142 HA ARG 142 -4.405 1.168 4.464 34 HB2 ARG 142 HB2 ARG 142 -4.999 3.537 4.548 35 HB3 ARG 142 HB1 ARG 142 -6.404 3.243 3.535 36 HG2 ARG 142 HG2 ARG 142 -7.384 1.856 5.292 37 HG3 ARG 142 HG1 ARG 142 -5.973 2.154 6.309 38 HD2 ARG 142 HD2 ARG 142 -6.471 4.545 6.301 39 HD3 ARG 142 HD1 ARG 142 -7.873 4.253 5.272 40 HE ARG 142 HE ARG 142 -8.215 2.655 7.494 41 HH11 ARG 142 HH11 ARG 142 -7.881 6.083 6.869 42 HH12 ARG 142 HH12 ARG 142 -8.850 6.553 8.231 43 HH21 ARG 142 HH21 ARG 142 -9.498 3.268 9.270 44 HH22 ARG 142 HH22 ARG 142 -9.772 4.952 9.590 45 H ARG 143 HN ARG 143 -7.122 1.772 2.234 46 HA ARG 143 HA ARG 143 -8.539 -0.563 2.889 47 HB2 ARG 143 HB2 ARG 143 -9.641 1.288 1.786 48 HB3 ARG 143 HB1 ARG 143 -8.577 1.143 0.396 49 HG2 ARG 143 HG2 ARG 143 -10.711 0.225 -0.161 50 HG3 ARG 143 HG1 ARG 143 -9.542 -1.090 -0.052 51 HD2 ARG 143 HD2 ARG 143 -10.351 -1.581 2.227 52 HD3 ARG 143 HD1 ARG 143 -11.556 -0.306 2.051 53 HE ARG 143 HE ARG 143 -11.538 -2.899 0.709 54 HH11 ARG 143 HH11 ARG 143 -13.077 0.215 1.178 55 HH12 ARG 143 HH12 ARG 143 -14.551 -0.259 0.395 56 HH21 ARG 143 HH21 ARG 143 -13.478 -3.511 -0.336 57 HH22 ARG 143 HH22 ARG 143 -14.779 -2.369 -0.463 58 H GLN 144 HN GLN 144 -6.355 0.184 0.200 59 HA GLN 144 HA GLN 144 -6.080 -2.695 -0.313 60 HB2 GLN 144 HB2 GLN 144 -6.757 -1.156 -2.212 61 HB3 GLN 144 HB1 GLN 144 -5.169 -0.415 -2.080 62 HG2 GLN 144 HG2 GLN 144 -4.167 -2.653 -2.508 63 HG3 GLN 144 HG1 GLN 144 -5.791 -3.264 -2.810 64 HE21 GLN 144 HE21 GLN 144 -6.618 -0.730 -4.081 65 HE22 GLN 144 HE22 GLN 144 -5.890 -0.746 -5.651 66 H LYS 145 HN LYS 145 -4.845 -2.373 1.835 67 HA LYS 145 HA LYS 145 -2.346 -1.001 1.743 68 HB2 LYS 145 HB2 LYS 145 -3.681 -1.378 3.824 69 HB3 LYS 145 HB1 LYS 145 -3.258 -3.083 3.731 70 HG2 LYS 145 HG2 LYS 145 -1.726 -2.216 5.242 71 HG3 LYS 145 HG1 LYS 145 -0.825 -2.274 3.728 72 HD2 LYS 145 HD2 LYS 145 -1.422 0.128 3.377 73 HD3 LYS 145 HD1 LYS 145 -2.118 0.135 4.998 74 HE2 LYS 145 HE2 LYS 145 0.031 0.968 5.323 75 HE3 LYS 145 HE1 LYS 145 0.177 -0.733 5.761 76 HZ1 LYS 145 HZ1 LYS 145 1.056 -1.021 3.404 77 H SER 146 HN SER 146 -0.646 -1.681 0.680 78 HA SER 146 HA SER 146 -0.099 -4.572 0.540 79 HB2 SER 146 HB2 SER 146 -0.488 -3.613 -1.672 80 HB3 SER 146 HB1 SER 146 0.699 -2.348 -1.359 81 HG SER 146 HG SER 146 1.521 -4.119 -2.610 82 H MET 147 HN MET 147 2.105 -5.231 0.800 83 HA MET 147 HA MET 147 3.600 -3.664 2.669 84 HB2 MET 147 HB2 MET 147 4.292 -6.190 1.164 85 HB3 MET 147 HB1 MET 147 5.364 -5.437 2.335 86 HG2 MET 147 HG2 MET 147 3.572 -5.695 4.041 87 HG3 MET 147 HG1 MET 147 2.638 -6.599 2.852 88 HE1 MET 147 HE1 MET 147 5.855 -6.483 5.055 89 HE2 MET 147 HE2 MET 147 6.560 -6.661 3.449 90 HE3 MET 147 HE3 MET 147 6.676 -7.979 4.614 91 H THR 148 HN THR 148 3.321 -3.661 -0.685 92 HA THR 148 HA THR 148 5.955 -2.672 -1.266 93 HB THR 148 HB THR 148 3.558 -2.362 -3.064 94 HG1 THR 148 HG1 THR 148 4.735 -4.604 -3.707 95 HG21 THR 148 HG21 THR 148 5.686 -1.357 -3.785 96 HG22 THR 148 HG22 THR 148 5.213 -2.693 -4.835 97 HG23 THR 148 HG23 THR 148 6.477 -2.926 -3.628 98 H GLU 149 HN GLU 149 3.703 -1.336 0.554 99 HA GLU 149 HA GLU 149 3.349 1.230 -0.635 100 HB2 GLU 149 HB2 GLU 149 2.352 1.921 1.452 101 HB3 GLU 149 HB1 GLU 149 1.755 0.326 1.017 102 HG2 GLU 149 HG2 GLU 149 3.155 -0.722 2.635 103 HG3 GLU 149 HG1 GLU 149 3.996 0.794 2.966 104 H PHE 150 HN PHE 150 5.922 -0.211 0.813 105 HA PHE 150 HA PHE 150 7.039 2.183 2.008 106 HB2 PHE 150 HB2 PHE 150 8.211 -0.589 1.680 107 HB3 PHE 150 HB1 PHE 150 8.962 0.730 2.573 108 HD1 PHE 150 HD1 PHE 150 6.802 -2.061 2.770 109 HD2 PHE 150 HD2 PHE 150 7.581 1.744 4.505 110 HE1 PHE 150 HE1 PHE 150 5.562 -2.732 4.784 111 HE2 PHE 150 HE2 PHE 150 6.341 1.080 6.524 112 HZ PHE 150 HZ PHE 150 5.330 -1.160 6.666 113 H TYR 151 HN TYR 151 7.630 3.643 0.561 114 HA TYR 151 HA TYR 151 9.657 3.044 -1.394 115 HB2 TYR 151 HB2 TYR 151 7.520 2.340 -2.501 116 HB3 TYR 151 HB1 TYR 151 6.941 3.992 -2.334 117 HD1 TYR 151 HD1 TYR 151 7.700 5.722 -3.818 118 HD2 TYR 151 HD2 TYR 151 9.354 1.816 -4.055 119 HE1 TYR 151 HE1 TYR 151 8.698 6.283 -5.984 120 HE2 TYR 151 HE2 TYR 151 10.363 2.363 -6.220 121 HH TYR 151 HH TYR 151 10.601 5.519 -7.386 122 H HIS 152 HN HIS 152 10.969 4.660 -0.848 123 HA HIS 152 HA HIS 152 9.917 7.250 -0.079 124 HB2 HIS 152 HB2 HIS 152 12.725 6.142 -0.205 125 HB3 HIS 152 HB1 HIS 152 12.375 7.817 0.207 126 HD1 HIS 152 HD1 HIS 152 11.735 8.304 2.588 127 HD2 HIS 152 HD2 HIS 152 11.713 4.238 1.725 128 HE1 HIS 152 HE1 HIS 152 11.420 7.142 4.796 129 HE2 HIS 152 HE2 HIS 152 11.239 4.698 4.221 Start of MODEL 12 1 H1 GLY 139 HT1 GLY 139 -12.892 0.124 -4.166 2 H2 GLY 139 HT2 GLY 139 -14.418 0.823 -3.970 3 H3 GLY 139 HT3 GLY 139 -13.503 0.391 -2.614 4 HA2 GLY 139 HA1 GLY 139 -11.855 2.046 -3.124 5 HA3 GLY 139 HA2 GLY 139 -12.728 2.459 -4.589 6 H ARG 140 HN ARG 140 -13.962 1.827 -1.310 7 HA ARG 140 HA ARG 140 -15.525 4.256 -1.464 8 HB2 ARG 140 HB2 ARG 140 -15.322 2.137 0.679 9 HB3 ARG 140 HB1 ARG 140 -16.388 3.530 0.768 10 HG2 ARG 140 HG2 ARG 140 -16.493 1.427 -1.384 11 HG3 ARG 140 HG1 ARG 140 -17.529 1.467 0.044 12 HD2 ARG 140 HD2 ARG 140 -17.364 3.593 -2.089 13 HD3 ARG 140 HD1 ARG 140 -18.653 2.404 -1.915 14 HE ARG 140 HE ARG 140 -18.782 3.567 0.452 15 HH11 ARG 140 HH11 ARG 140 -18.422 5.003 -2.717 16 HH12 ARG 140 HH12 ARG 140 -19.208 6.484 -2.274 17 HH21 ARG 140 HH21 ARG 140 -19.816 5.517 1.044 18 HH22 ARG 140 HH22 ARG 140 -20.007 6.776 -0.137 19 H LYS 141 HN LYS 141 -13.586 2.996 1.254 20 HA LYS 141 HA LYS 141 -12.123 5.483 1.432 21 HB2 LYS 141 HB2 LYS 141 -12.884 6.000 3.720 22 HB3 LYS 141 HB1 LYS 141 -14.183 6.114 2.541 23 HG2 LYS 141 HG2 LYS 141 -15.063 3.977 3.246 24 HG3 LYS 141 HG1 LYS 141 -13.709 3.759 4.358 25 HD2 LYS 141 HD2 LYS 141 -14.428 5.791 5.572 26 HD3 LYS 141 HD1 LYS 141 -15.823 5.907 4.499 27 HE2 LYS 141 HE2 LYS 141 -16.639 3.767 5.276 28 HE3 LYS 141 HE1 LYS 141 -15.207 3.553 6.279 29 HZ1 LYS 141 HZ1 LYS 141 -17.267 5.667 6.606 30 HZ2 LYS 141 HZ2 LYS 141 -15.871 5.516 7.547 31 HZ3 LYS 141 HZ3 LYS 141 -17.059 4.313 7.598 32 H ARG 142 HN ARG 142 -11.586 2.558 1.195 33 HA ARG 142 HA ARG 142 -9.697 2.440 3.435 34 HB2 ARG 142 HB2 ARG 142 -10.006 0.040 3.672 35 HB3 ARG 142 HB1 ARG 142 -11.522 0.882 3.947 36 HG2 ARG 142 HG2 ARG 142 -12.308 0.264 1.750 37 HG3 ARG 142 HG1 ARG 142 -10.758 -0.499 1.383 38 HD2 ARG 142 HD2 ARG 142 -12.643 -1.329 3.585 39 HD3 ARG 142 HD1 ARG 142 -12.482 -2.132 2.027 40 HE ARG 142 HE ARG 142 -10.014 -1.925 3.504 41 HH11 ARG 142 HH11 ARG 142 -12.897 -3.833 2.971 42 HH12 ARG 142 HH12 ARG 142 -12.179 -5.309 3.530 43 HH21 ARG 142 HH21 ARG 142 -9.062 -3.855 4.253 44 HH22 ARG 142 HH22 ARG 142 -9.995 -5.320 4.274 45 H ARG 143 HN ARG 143 -7.946 0.754 2.957 46 HA ARG 143 HA ARG 143 -7.331 0.444 0.145 47 HB2 ARG 143 HB2 ARG 143 -6.605 2.726 0.527 48 HB3 ARG 143 HB1 ARG 143 -5.706 2.242 1.956 49 HG2 ARG 143 HG2 ARG 143 -4.275 0.829 0.457 50 HG3 ARG 143 HG1 ARG 143 -5.092 1.587 -0.914 51 HD2 ARG 143 HD2 ARG 143 -2.984 2.715 -0.421 52 HD3 ARG 143 HD1 ARG 143 -4.357 3.785 -0.139 53 HE ARG 143 HE ARG 143 -3.748 2.528 2.275 54 HH11 ARG 143 HH11 ARG 143 -2.274 4.836 0.080 55 HH12 ARG 143 HH12 ARG 143 -1.365 5.622 1.330 56 HH21 ARG 143 HH21 ARG 143 -2.571 3.569 3.906 57 HH22 ARG 143 HH22 ARG 143 -1.532 4.901 3.512 58 H GLN 144 HN GLN 144 -6.401 -1.490 -0.063 59 HA GLN 144 HA GLN 144 -5.256 -2.868 2.177 60 HB2 GLN 144 HB2 GLN 144 -5.328 -3.508 -0.773 61 HB3 GLN 144 HB1 GLN 144 -4.573 -4.556 0.420 62 HG2 GLN 144 HG2 GLN 144 -6.750 -4.724 1.581 63 HG3 GLN 144 HG1 GLN 144 -7.476 -3.779 0.283 64 HE21 GLN 144 HE21 GLN 144 -7.747 -4.707 -1.739 65 HE22 GLN 144 HE22 GLN 144 -7.617 -6.411 -1.996 66 H LYS 145 HN LYS 145 -3.266 -2.593 2.922 67 HA LYS 145 HA LYS 145 -1.498 -0.822 1.521 68 HB2 LYS 145 HB2 LYS 145 -1.899 -0.915 4.052 69 HB3 LYS 145 HB1 LYS 145 -0.848 -2.327 4.044 70 HG2 LYS 145 HG2 LYS 145 0.521 -0.482 4.589 71 HG3 LYS 145 HG1 LYS 145 0.877 -0.894 2.916 72 HD2 LYS 145 HD2 LYS 145 -0.568 0.901 2.147 73 HD3 LYS 145 HD1 LYS 145 -0.987 1.299 3.815 74 HE2 LYS 145 HE2 LYS 145 0.741 2.789 2.859 75 HE3 LYS 145 HE1 LYS 145 1.291 1.913 4.289 76 HZ1 LYS 145 HZ1 LYS 145 1.952 1.039 1.561 77 H SER 146 HN SER 146 0.140 -1.360 0.254 78 HA SER 146 HA SER 146 0.790 -4.187 -0.055 79 HB2 SER 146 HB2 SER 146 0.236 -2.625 -2.018 80 HB3 SER 146 HB1 SER 146 1.823 -1.906 -1.747 81 HG SER 146 HG SER 146 1.332 -4.660 -2.251 82 H MET 147 HN MET 147 2.818 -5.015 0.306 83 HA MET 147 HA MET 147 4.369 -3.629 2.272 84 HB2 MET 147 HB2 MET 147 4.869 -6.257 0.870 85 HB3 MET 147 HB1 MET 147 5.777 -5.662 2.251 86 HG2 MET 147 HG2 MET 147 3.776 -5.720 3.620 87 HG3 MET 147 HG1 MET 147 2.829 -6.257 2.235 88 HE1 MET 147 HE1 MET 147 2.690 -7.816 4.934 89 HE2 MET 147 HE2 MET 147 2.840 -9.483 4.377 90 HE3 MET 147 HE3 MET 147 1.867 -8.333 3.460 91 H THR 148 HN THR 148 4.399 -3.650 -1.088 92 HA THR 148 HA THR 148 7.210 -3.139 -1.414 93 HB THR 148 HB THR 148 6.234 -2.328 -3.753 94 HG1 THR 148 HG1 THR 148 4.272 -4.237 -3.029 95 HG21 THR 148 HG21 THR 148 6.343 -5.219 -2.885 96 HG22 THR 148 HG22 THR 148 7.715 -4.251 -3.422 97 HG23 THR 148 HG23 THR 148 6.415 -4.640 -4.549 98 H GLU 149 HN GLU 149 5.003 -1.366 0.062 99 HA GLU 149 HA GLU 149 5.243 1.161 -1.241 100 HB2 GLU 149 HB2 GLU 149 4.038 2.081 0.625 101 HB3 GLU 149 HB1 GLU 149 3.311 0.534 0.211 102 HG2 GLU 149 HG2 GLU 149 4.320 -0.541 2.070 103 HG3 GLU 149 HG1 GLU 149 5.350 0.851 2.397 104 H PHE 150 HN PHE 150 7.386 -0.584 0.484 105 HA PHE 150 HA PHE 150 8.560 1.634 1.946 106 HB2 PHE 150 HB2 PHE 150 9.336 -1.286 1.806 107 HB3 PHE 150 HB1 PHE 150 10.144 -0.081 2.806 108 HD1 PHE 150 HD1 PHE 150 8.824 1.079 4.604 109 HD2 PHE 150 HD2 PHE 150 7.377 -2.347 2.541 110 HE1 PHE 150 HE1 PHE 150 7.191 0.687 6.403 111 HE2 PHE 150 HE2 PHE 150 5.742 -2.744 4.334 112 HZ PHE 150 HZ PHE 150 5.647 -1.224 6.269 113 H TYR 151 HN TYR 151 9.418 2.984 0.476 114 HA TYR 151 HA TYR 151 11.981 2.225 -0.553 115 HB2 TYR 151 HB2 TYR 151 11.495 3.074 -2.882 116 HB3 TYR 151 HB1 TYR 151 10.786 1.517 -2.488 117 HD1 TYR 151 HD1 TYR 151 10.134 4.922 -3.528 118 HD2 TYR 151 HD2 TYR 151 8.323 1.379 -2.029 119 HE1 TYR 151 HE1 TYR 151 7.943 5.728 -4.277 120 HE2 TYR 151 HE2 TYR 151 6.133 2.178 -2.773 121 HH TYR 151 HH TYR 151 5.739 4.754 -4.905 122 H HIS 152 HN HIS 152 13.054 3.736 0.468 123 HA HIS 152 HA HIS 152 12.622 6.514 -0.134 124 HB2 HIS 152 HB2 HIS 152 10.958 6.103 1.663 125 HB3 HIS 152 HB1 HIS 152 12.255 5.545 2.711 126 HD1 HIS 152 HD1 HIS 152 10.750 8.645 1.263 127 HD2 HIS 152 HD2 HIS 152 13.838 7.570 3.829 128 HE1 HIS 152 HE1 HIS 152 11.485 10.776 2.368 129 HE2 HIS 152 HE2 HIS 152 13.238 10.078 4.030 Start of MODEL 13 1 H1 GLY 139 HT1 GLY 139 -14.038 5.933 5.400 2 H2 GLY 139 HT2 GLY 139 -13.103 4.982 4.361 3 H3 GLY 139 HT3 GLY 139 -12.891 4.866 6.034 4 HA2 GLY 139 HA1 GLY 139 -15.135 3.991 6.276 5 HA3 GLY 139 HA2 GLY 139 -15.316 4.075 4.531 6 H ARG 140 HN ARG 140 -15.782 1.701 4.980 7 HA ARG 140 HA ARG 140 -13.442 0.063 5.473 8 HB2 ARG 140 HB2 ARG 140 -16.265 -0.683 4.700 9 HB3 ARG 140 HB1 ARG 140 -14.994 -1.841 5.056 10 HG2 ARG 140 HG2 ARG 140 -14.826 -0.832 7.338 11 HG3 ARG 140 HG1 ARG 140 -16.254 0.127 6.948 12 HD2 ARG 140 HD2 ARG 140 -16.854 -1.889 8.197 13 HD3 ARG 140 HD1 ARG 140 -17.533 -1.917 6.572 14 HE ARG 140 HE ARG 140 -14.985 -3.274 6.950 15 HH11 ARG 140 HH11 ARG 140 -18.462 -3.560 6.688 16 HH12 ARG 140 HH12 ARG 140 -18.420 -5.248 6.285 17 HH21 ARG 140 HH21 ARG 140 -14.925 -5.486 6.408 18 HH22 ARG 140 HH22 ARG 140 -16.408 -6.343 6.129 19 H LYS 141 HN LYS 141 -15.107 1.417 2.816 20 HA LYS 141 HA LYS 141 -14.156 -0.455 0.847 21 HB2 LYS 141 HB2 LYS 141 -16.302 0.813 0.645 22 HB3 LYS 141 HB1 LYS 141 -15.367 2.287 0.464 23 HG2 LYS 141 HG2 LYS 141 -14.369 1.416 -1.584 24 HG3 LYS 141 HG1 LYS 141 -15.295 -0.075 -1.401 25 HD2 LYS 141 HD2 LYS 141 -16.364 1.436 -2.996 26 HD3 LYS 141 HD1 LYS 141 -17.380 1.198 -1.572 27 HE2 LYS 141 HE2 LYS 141 -16.589 3.330 -0.659 28 HE3 LYS 141 HE1 LYS 141 -15.577 3.564 -2.081 29 HZ1 LYS 141 HZ1 LYS 141 -18.537 3.349 -2.109 30 HZ2 LYS 141 HZ2 LYS 141 -17.547 3.634 -3.448 31 HZ3 LYS 141 HZ3 LYS 141 -17.660 4.790 -2.221 32 H ARG 142 HN ARG 142 -11.890 -0.208 1.633 33 HA ARG 142 HA ARG 142 -10.571 2.078 0.313 34 HB2 ARG 142 HB2 ARG 142 -9.854 0.682 2.888 35 HB3 ARG 142 HB1 ARG 142 -8.724 1.707 2.016 36 HG2 ARG 142 HG2 ARG 142 -10.233 3.600 2.273 37 HG3 ARG 142 HG1 ARG 142 -11.380 2.572 3.137 38 HD2 ARG 142 HD2 ARG 142 -9.790 2.195 4.898 39 HD3 ARG 142 HD1 ARG 142 -8.539 3.063 4.011 40 HE ARG 142 HE ARG 142 -10.373 4.961 4.248 41 HH11 ARG 142 HH11 ARG 142 -9.207 2.670 6.622 42 HH12 ARG 142 HH12 ARG 142 -9.450 3.740 7.966 43 HH21 ARG 142 HH21 ARG 142 -10.679 6.385 6.013 44 HH22 ARG 142 HH22 ARG 142 -10.281 5.857 7.616 45 H ARG 143 HN ARG 143 -8.714 1.668 -0.843 46 HA ARG 143 HA ARG 143 -8.102 -1.158 -1.337 47 HB2 ARG 143 HB2 ARG 143 -7.358 1.339 -2.876 48 HB3 ARG 143 HB1 ARG 143 -6.847 -0.289 -3.309 49 HG2 ARG 143 HG2 ARG 143 -9.121 -0.958 -3.694 50 HG3 ARG 143 HG1 ARG 143 -9.717 0.595 -3.109 51 HD2 ARG 143 HD2 ARG 143 -8.610 1.723 -4.963 52 HD3 ARG 143 HD1 ARG 143 -7.987 0.178 -5.539 53 HE ARG 143 HE ARG 143 -10.306 -0.489 -5.936 54 HH11 ARG 143 HH11 ARG 143 -9.643 2.931 -5.571 55 HH12 ARG 143 HH12 ARG 143 -11.042 3.425 -6.465 56 HH21 ARG 143 HH21 ARG 143 -12.154 0.154 -7.094 57 HH22 ARG 143 HH22 ARG 143 -12.474 1.842 -7.339 58 H GLN 144 HN GLN 144 -6.821 -1.721 0.325 59 HA GLN 144 HA GLN 144 -5.017 0.035 1.601 60 HB2 GLN 144 HB2 GLN 144 -6.078 -1.897 2.713 61 HB3 GLN 144 HB1 GLN 144 -5.129 -2.984 1.709 62 HG2 GLN 144 HG2 GLN 144 -3.080 -2.141 2.702 63 HG3 GLN 144 HG1 GLN 144 -4.011 -1.010 3.686 64 HE21 GLN 144 HE21 GLN 144 -5.208 -1.777 5.413 65 HE22 GLN 144 HE22 GLN 144 -4.975 -3.360 6.065 66 H LYS 145 HN LYS 145 -3.309 0.826 0.601 67 HA LYS 145 HA LYS 145 -1.884 -0.572 -1.435 68 HB2 LYS 145 HB2 LYS 145 -2.130 1.881 -1.440 69 HB3 LYS 145 HB1 LYS 145 -1.202 1.975 0.047 70 HG2 LYS 145 HG2 LYS 145 0.139 2.552 -1.909 71 HG3 LYS 145 HG1 LYS 145 0.760 1.115 -1.089 72 HD2 LYS 145 HD2 LYS 145 -0.359 -0.305 -2.736 73 HD3 LYS 145 HD1 LYS 145 -0.978 1.130 -3.555 74 HE2 LYS 145 HE2 LYS 145 1.039 0.147 -4.628 75 HE3 LYS 145 HE1 LYS 145 1.228 1.832 -4.147 76 HZ1 LYS 145 HZ1 LYS 145 2.215 -0.291 -2.382 77 H SER 146 HN SER 146 -0.295 -1.973 -1.172 78 HA SER 146 HA SER 146 0.646 -2.811 1.329 79 HB2 SER 146 HB2 SER 146 1.950 -3.195 -1.373 80 HB3 SER 146 HB1 SER 146 2.226 -4.172 0.069 81 HG SER 146 HG SER 146 0.733 -5.171 -1.332 82 H MET 147 HN MET 147 2.001 -1.860 2.663 83 HA MET 147 HA MET 147 3.386 0.533 1.969 84 HB2 MET 147 HB2 MET 147 3.799 -1.129 4.457 85 HB3 MET 147 HB1 MET 147 4.089 0.592 4.259 86 HG2 MET 147 HG2 MET 147 1.401 -0.760 4.214 87 HG3 MET 147 HG1 MET 147 2.078 0.155 5.557 88 HE1 MET 147 HE1 MET 147 -0.823 0.690 4.224 89 HE2 MET 147 HE2 MET 147 -0.814 2.452 4.309 90 HE3 MET 147 HE3 MET 147 -0.159 1.502 5.642 91 H THR 148 HN THR 148 4.126 -2.710 1.595 92 HA THR 148 HA THR 148 6.926 -2.603 2.119 93 HB THR 148 HB THR 148 6.854 -4.861 0.868 94 HG1 THR 148 HG1 THR 148 4.982 -5.022 -0.155 95 HG21 THR 148 HG21 THR 148 5.221 -4.460 3.379 96 HG22 THR 148 HG22 THR 148 6.971 -4.667 3.306 97 HG23 THR 148 HG23 THR 148 5.905 -5.988 2.828 98 H GLU 149 HN GLU 149 5.144 -1.356 -0.354 99 HA GLU 149 HA GLU 149 6.967 -1.904 -2.501 100 HB2 GLU 149 HB2 GLU 149 5.711 -0.252 -3.788 101 HB3 GLU 149 HB1 GLU 149 4.629 -1.389 -3.001 102 HG2 GLU 149 HG2 GLU 149 4.129 0.243 -1.277 103 HG3 GLU 149 HG1 GLU 149 5.256 1.383 -2.014 104 H PHE 150 HN PHE 150 7.030 0.023 0.150 105 HA PHE 150 HA PHE 150 8.868 1.990 -0.989 106 HB2 PHE 150 HB2 PHE 150 7.739 1.742 1.813 107 HB3 PHE 150 HB1 PHE 150 8.778 3.045 1.249 108 HD1 PHE 150 HD1 PHE 150 7.932 4.705 -0.348 109 HD2 PHE 150 HD2 PHE 150 5.415 1.674 1.260 110 HE1 PHE 150 HE1 PHE 150 5.951 5.968 -1.075 111 HE2 PHE 150 HE2 PHE 150 3.428 2.932 0.531 112 HZ PHE 150 HZ PHE 150 3.697 5.082 -0.638 113 H TYR 151 HN TYR 151 11.039 2.047 -0.438 114 HA TYR 151 HA TYR 151 12.106 0.257 1.545 115 HB2 TYR 151 HB2 TYR 151 11.770 -1.232 -0.435 116 HB3 TYR 151 HB1 TYR 151 12.862 -0.196 -1.348 117 HD1 TYR 151 HD1 TYR 151 12.657 -2.433 1.596 118 HD2 TYR 151 HD2 TYR 151 15.206 -0.490 -1.198 119 HE1 TYR 151 HE1 TYR 151 14.554 -3.741 2.427 120 HE2 TYR 151 HE2 TYR 151 17.111 -1.791 -0.373 121 HH TYR 151 HH TYR 151 16.746 -4.487 1.693 122 H HIS 152 HN HIS 152 13.084 1.977 2.482 123 HA HIS 152 HA HIS 152 14.819 3.710 0.927 124 HB2 HIS 152 HB2 HIS 152 13.441 4.674 2.733 125 HB3 HIS 152 HB1 HIS 152 14.272 3.656 3.905 126 HD1 HIS 152 HD1 HIS 152 14.816 6.645 1.691 127 HD2 HIS 152 HD2 HIS 152 16.756 4.581 4.732 128 HE1 HIS 152 HE1 HIS 152 16.760 8.094 2.359 129 HE2 HIS 152 HE2 HIS 152 17.980 6.775 4.127 Start of MODEL 14 1 H1 GLY 139 HT1 GLY 139 -12.716 7.789 0.939 2 H2 GLY 139 HT2 GLY 139 -11.542 8.369 -0.128 3 H3 GLY 139 HT3 GLY 139 -11.906 9.233 1.279 4 HA2 GLY 139 HA1 GLY 139 -9.837 8.071 1.568 5 HA3 GLY 139 HA2 GLY 139 -11.069 7.412 2.634 6 H ARG 140 HN ARG 140 -11.048 5.269 2.727 7 HA ARG 140 HA ARG 140 -10.425 3.774 0.281 8 HB2 ARG 140 HB2 ARG 140 -9.101 2.170 1.660 9 HB3 ARG 140 HB1 ARG 140 -8.375 3.764 1.527 10 HG2 ARG 140 HG2 ARG 140 -9.205 4.331 3.758 11 HG3 ARG 140 HG1 ARG 140 -9.931 2.729 3.890 12 HD2 ARG 140 HD2 ARG 140 -7.771 2.871 5.053 13 HD3 ARG 140 HD1 ARG 140 -7.749 1.691 3.743 14 HE ARG 140 HE ARG 140 -6.848 4.129 2.724 15 HH11 ARG 140 HH11 ARG 140 -5.827 1.706 5.034 16 HH12 ARG 140 HH12 ARG 140 -4.136 2.001 4.787 17 HH21 ARG 140 HH21 ARG 140 -4.635 4.517 2.385 18 HH22 ARG 140 HH22 ARG 140 -3.456 3.619 3.289 19 H LYS 141 HN LYS 141 -11.995 2.396 -0.178 20 HA LYS 141 HA LYS 141 -13.878 1.542 1.841 21 HB2 LYS 141 HB2 LYS 141 -13.616 1.008 -1.114 22 HB3 LYS 141 HB1 LYS 141 -14.822 0.197 -0.124 23 HG2 LYS 141 HG2 LYS 141 -14.584 3.186 -0.350 24 HG3 LYS 141 HG1 LYS 141 -15.646 2.201 -1.359 25 HD2 LYS 141 HD2 LYS 141 -16.876 1.457 0.562 26 HD3 LYS 141 HD1 LYS 141 -15.735 2.238 1.654 27 HE2 LYS 141 HE2 LYS 141 -17.506 3.651 -0.334 28 HE3 LYS 141 HE1 LYS 141 -17.813 3.523 1.397 29 HZ1 LYS 141 HZ1 LYS 141 -15.788 4.746 1.827 30 HZ2 LYS 141 HZ2 LYS 141 -16.794 5.642 0.803 31 HZ3 LYS 141 HZ3 LYS 141 -15.451 4.839 0.172 32 H ARG 142 HN ARG 142 -12.130 0.554 3.122 33 HA ARG 142 HA ARG 142 -11.057 -1.249 3.982 34 HB2 ARG 142 HB2 ARG 142 -12.963 -2.721 2.157 35 HB3 ARG 142 HB1 ARG 142 -11.964 -3.497 3.380 36 HG2 ARG 142 HG2 ARG 142 -13.114 -2.379 5.140 37 HG3 ARG 142 HG1 ARG 142 -13.974 -1.347 3.996 38 HD2 ARG 142 HD2 ARG 142 -14.239 -4.344 4.145 39 HD3 ARG 142 HD1 ARG 142 -15.357 -3.200 4.885 40 HE ARG 142 HE ARG 142 -15.527 -2.359 2.428 41 HH11 ARG 142 HH11 ARG 142 -15.240 -5.680 3.487 42 HH12 ARG 142 HH12 ARG 142 -16.150 -6.323 2.159 43 HH21 ARG 142 HH21 ARG 142 -16.724 -3.192 0.667 44 HH22 ARG 142 HH22 ARG 142 -16.988 -4.903 0.540 45 H ARG 143 HN ARG 143 -9.885 0.059 1.747 46 HA ARG 143 HA ARG 143 -8.656 -2.068 0.176 47 HB2 ARG 143 HB2 ARG 143 -8.364 0.936 0.007 48 HB3 ARG 143 HB1 ARG 143 -7.589 -0.210 -1.073 49 HG2 ARG 143 HG2 ARG 143 -9.803 -0.974 -1.820 50 HG3 ARG 143 HG1 ARG 143 -10.552 0.234 -0.772 51 HD2 ARG 143 HD2 ARG 143 -9.388 2.008 -1.996 52 HD3 ARG 143 HD1 ARG 143 -8.650 0.800 -3.044 53 HE ARG 143 HE ARG 143 -11.510 0.656 -3.031 54 HH11 ARG 143 HH11 ARG 143 -8.747 2.279 -4.440 55 HH12 ARG 143 HH12 ARG 143 -9.601 2.764 -5.868 56 HH21 ARG 143 HH21 ARG 143 -12.640 1.305 -4.907 57 HH22 ARG 143 HH22 ARG 143 -11.812 2.205 -6.137 58 H GLN 144 HN GLN 144 -6.395 -2.379 0.102 59 HA GLN 144 HA GLN 144 -4.832 -1.056 2.199 60 HB2 GLN 144 HB2 GLN 144 -5.585 -3.247 3.077 61 HB3 GLN 144 HB1 GLN 144 -4.837 -4.042 1.699 62 HG2 GLN 144 HG2 GLN 144 -2.644 -3.228 2.423 63 HG3 GLN 144 HG1 GLN 144 -3.401 -2.448 3.812 64 HE21 GLN 144 HE21 GLN 144 -2.444 -5.452 2.380 65 HE22 GLN 144 HE22 GLN 144 -2.650 -6.428 3.792 66 H LYS 145 HN LYS 145 -3.362 0.022 1.043 67 HA LYS 145 HA LYS 145 -2.409 -0.909 -1.489 68 HB2 LYS 145 HB2 LYS 145 -2.710 1.472 -1.033 69 HB3 LYS 145 HB1 LYS 145 -1.537 1.384 0.273 70 HG2 LYS 145 HG2 LYS 145 0.176 0.723 -1.402 71 HG3 LYS 145 HG1 LYS 145 -1.022 1.032 -2.663 72 HD2 LYS 145 HD2 LYS 145 -1.192 3.332 -2.025 73 HD3 LYS 145 HD1 LYS 145 -0.173 3.053 -0.609 74 HE2 LYS 145 HE2 LYS 145 0.683 2.767 -3.491 75 HE3 LYS 145 HE1 LYS 145 1.069 4.128 -2.439 76 HZ1 LYS 145 HZ1 LYS 145 1.980 1.387 -1.842 77 H SER 146 HN SER 146 -0.347 -1.641 -1.980 78 HA SER 146 HA SER 146 0.988 -3.192 -0.045 79 HB2 SER 146 HB2 SER 146 2.001 -2.228 -2.731 80 HB3 SER 146 HB1 SER 146 2.648 -3.577 -1.801 81 HG SER 146 HG SER 146 1.072 -4.801 -2.484 82 H MET 147 HN MET 147 1.879 -2.226 1.662 83 HA MET 147 HA MET 147 3.007 0.402 1.542 84 HB2 MET 147 HB2 MET 147 3.046 -1.647 3.762 85 HB3 MET 147 HB1 MET 147 3.525 0.037 3.925 86 HG2 MET 147 HG2 MET 147 0.779 -0.971 3.221 87 HG3 MET 147 HG1 MET 147 1.284 -0.314 4.775 88 HE1 MET 147 HE1 MET 147 -0.915 1.274 4.516 89 HE2 MET 147 HE2 MET 147 -1.222 0.634 2.903 90 HE3 MET 147 HE3 MET 147 -1.147 2.377 3.160 91 H THR 148 HN THR 148 4.171 -2.477 0.546 92 HA THR 148 HA THR 148 6.900 -2.229 1.354 93 HB THR 148 HB THR 148 7.192 -3.894 -0.622 94 HG1 THR 148 HG1 THR 148 5.406 -4.100 -1.743 95 HG21 THR 148 HG21 THR 148 5.486 -4.607 1.768 96 HG22 THR 148 HG22 THR 148 7.249 -4.552 1.734 97 HG23 THR 148 HG23 THR 148 6.386 -5.749 0.770 98 H GLU 149 HN GLU 149 5.103 -0.315 -0.509 99 HA GLU 149 HA GLU 149 6.841 0.173 -2.727 100 HB2 GLU 149 HB2 GLU 149 5.462 2.213 -3.048 101 HB3 GLU 149 HB1 GLU 149 4.504 0.745 -2.911 102 HG2 GLU 149 HG2 GLU 149 3.910 1.269 -0.650 103 HG3 GLU 149 HG1 GLU 149 5.004 2.651 -0.640 104 H PHE 150 HN PHE 150 7.650 0.448 0.274 105 HA PHE 150 HA PHE 150 9.360 2.776 -0.155 106 HB2 PHE 150 HB2 PHE 150 7.575 2.340 2.242 107 HB3 PHE 150 HB1 PHE 150 8.992 3.378 2.302 108 HD1 PHE 150 HD1 PHE 150 9.097 5.351 0.719 109 HD2 PHE 150 HD2 PHE 150 5.534 3.139 1.431 110 HE1 PHE 150 HE1 PHE 150 7.763 7.238 -0.124 111 HE2 PHE 150 HE2 PHE 150 4.195 5.022 0.585 112 HZ PHE 150 HZ PHE 150 5.309 7.074 -0.192 113 H TYR 151 HN TYR 151 11.323 2.672 0.915 114 HA TYR 151 HA TYR 151 13.190 1.688 1.716 115 HB2 TYR 151 HB2 TYR 151 11.837 1.747 3.811 116 HB3 TYR 151 HB1 TYR 151 11.293 0.112 3.465 117 HD1 TYR 151 HD1 TYR 151 12.318 -1.501 4.745 118 HD2 TYR 151 HD2 TYR 151 14.587 1.897 3.552 119 HE1 TYR 151 HE1 TYR 151 14.268 -2.396 5.925 120 HE2 TYR 151 HE2 TYR 151 16.545 1.008 4.726 121 HH TYR 151 HH TYR 151 17.109 -0.527 6.469 122 H HIS 152 HN HIS 152 13.110 0.773 -0.530 123 HA HIS 152 HA HIS 152 12.511 -2.048 -0.755 124 HB2 HIS 152 HB2 HIS 152 13.737 -0.103 -2.717 125 HB3 HIS 152 HB1 HIS 152 13.359 -1.781 -3.084 126 HD1 HIS 152 HD1 HIS 152 11.947 1.551 -3.142 127 HD2 HIS 152 HD2 HIS 152 10.479 -2.330 -2.901 128 HE1 HIS 152 HE1 HIS 152 9.519 1.706 -3.769 129 HE2 HIS 152 HE2 HIS 152 8.723 -0.683 -3.838 Start of MODEL 15 1 H1 GLY 139 HT1 GLY 139 -14.964 3.595 -1.449 2 H2 GLY 139 HT2 GLY 139 -15.311 2.395 -2.583 3 H3 GLY 139 HT3 GLY 139 -15.537 4.022 -2.980 4 HA2 GLY 139 HA1 GLY 139 -13.534 3.205 -4.012 5 HA3 GLY 139 HA2 GLY 139 -13.168 4.425 -2.800 6 H ARG 140 HN ARG 140 -11.039 3.107 -3.234 7 HA ARG 140 HA ARG 140 -10.908 1.040 -1.135 8 HB2 ARG 140 HB2 ARG 140 -9.472 0.992 -3.795 9 HB3 ARG 140 HB1 ARG 140 -9.227 -0.161 -2.490 10 HG2 ARG 140 HG2 ARG 140 -11.545 -0.891 -2.693 11 HG3 ARG 140 HG1 ARG 140 -11.795 0.271 -3.998 12 HD2 ARG 140 HD2 ARG 140 -11.403 -1.934 -4.913 13 HD3 ARG 140 HD1 ARG 140 -10.065 -0.863 -5.318 14 HE ARG 140 HE ARG 140 -9.409 -2.215 -2.963 15 HH11 ARG 140 HH11 ARG 140 -9.988 -2.934 -6.332 16 HH12 ARG 140 HH12 ARG 140 -8.905 -4.289 -6.363 17 HH21 ARG 140 HH21 ARG 140 -7.975 -4.000 -3.002 18 HH22 ARG 140 HH22 ARG 140 -7.756 -4.892 -4.475 19 H LYS 141 HN LYS 141 -10.246 3.990 -1.459 20 HA LYS 141 HA LYS 141 -7.518 4.471 -1.458 21 HB2 LYS 141 HB2 LYS 141 -9.142 6.268 -1.557 22 HB3 LYS 141 HB1 LYS 141 -9.717 5.885 0.059 23 HG2 LYS 141 HG2 LYS 141 -7.502 6.497 0.961 24 HG3 LYS 141 HG1 LYS 141 -6.997 6.958 -0.667 25 HD2 LYS 141 HD2 LYS 141 -9.351 8.159 0.789 26 HD3 LYS 141 HD1 LYS 141 -7.738 8.871 0.754 27 HE2 LYS 141 HE2 LYS 141 -9.432 8.292 -1.674 28 HE3 LYS 141 HE1 LYS 141 -9.275 9.868 -0.904 29 HZ1 LYS 141 HZ1 LYS 141 -7.101 8.313 -2.191 30 HZ2 LYS 141 HZ2 LYS 141 -6.878 9.768 -1.361 31 HZ3 LYS 141 HZ3 LYS 141 -7.805 9.736 -2.775 32 H ARG 142 HN ARG 142 -6.067 3.447 -0.278 33 HA ARG 142 HA ARG 142 -4.850 2.734 1.489 34 HB2 ARG 142 HB2 ARG 142 -6.594 4.692 2.984 35 HB3 ARG 142 HB1 ARG 142 -5.181 3.899 3.669 36 HG2 ARG 142 HG2 ARG 142 -3.770 4.946 1.978 37 HG3 ARG 142 HG1 ARG 142 -5.185 5.733 1.283 38 HD2 ARG 142 HD2 ARG 142 -5.548 6.956 3.346 39 HD3 ARG 142 HD1 ARG 142 -4.184 6.129 4.100 40 HE ARG 142 HE ARG 142 -2.940 7.225 2.068 41 HH11 ARG 142 HH11 ARG 142 -5.412 8.642 4.102 42 HH12 ARG 142 HH12 ARG 142 -4.850 10.265 3.868 43 HH21 ARG 142 HH21 ARG 142 -2.193 9.355 1.769 44 HH22 ARG 142 HH22 ARG 142 -3.013 10.671 2.553 45 H ARG 143 HN ARG 143 -7.332 1.319 0.774 46 HA ARG 143 HA ARG 143 -8.207 0.229 3.330 47 HB2 ARG 143 HB2 ARG 143 -9.894 0.596 1.596 48 HB3 ARG 143 HB1 ARG 143 -9.020 -0.466 0.500 49 HG2 ARG 143 HG2 ARG 143 -9.516 -2.379 1.821 50 HG3 ARG 143 HG1 ARG 143 -10.142 -1.383 3.136 51 HD2 ARG 143 HD2 ARG 143 -11.343 -1.583 0.377 52 HD3 ARG 143 HD1 ARG 143 -11.936 -2.422 1.811 53 HE ARG 143 HE ARG 143 -11.906 0.191 2.550 54 HH11 ARG 143 HH11 ARG 143 -13.344 -1.558 -0.118 55 HH12 ARG 143 HH12 ARG 143 -14.678 -0.467 -0.277 56 HH21 ARG 143 HH21 ARG 143 -13.652 1.620 2.352 57 HH22 ARG 143 HH22 ARG 143 -14.856 1.351 1.133 58 H GLN 144 HN GLN 144 -6.096 -0.512 0.695 59 HA GLN 144 HA GLN 144 -5.538 -3.155 1.862 60 HB2 GLN 144 HB2 GLN 144 -4.983 -2.140 -0.934 61 HB3 GLN 144 HB1 GLN 144 -4.595 -3.746 -0.337 62 HG2 GLN 144 HG2 GLN 144 -7.369 -2.601 -0.577 63 HG3 GLN 144 HG1 GLN 144 -6.618 -3.714 -1.717 64 HE21 GLN 144 HE21 GLN 144 -6.276 -5.853 -1.108 65 HE22 GLN 144 HE22 GLN 144 -7.104 -6.566 0.235 66 H LYS 145 HN LYS 145 -3.455 -3.652 2.452 67 HA LYS 145 HA LYS 145 -1.639 -1.424 2.735 68 HB2 LYS 145 HB2 LYS 145 -2.034 -3.119 4.546 69 HB3 LYS 145 HB1 LYS 145 -1.234 -4.312 3.532 70 HG2 LYS 145 HG2 LYS 145 0.336 -3.499 5.139 71 HG3 LYS 145 HG1 LYS 145 0.796 -2.888 3.549 72 HD2 LYS 145 HD2 LYS 145 -0.277 -0.750 4.064 73 HD3 LYS 145 HD1 LYS 145 -0.733 -1.361 5.653 74 HE2 LYS 145 HE2 LYS 145 1.230 -0.000 5.888 75 HE3 LYS 145 HE1 LYS 145 1.665 -1.682 6.173 76 HZ1 LYS 145 HZ1 LYS 145 2.482 -1.632 3.778 77 H SER 146 HN SER 146 -0.260 -0.912 1.164 78 HA SER 146 HA SER 146 0.206 -2.574 -1.074 79 HB2 SER 146 HB2 SER 146 1.705 -0.120 -0.124 80 HB3 SER 146 HB1 SER 146 1.897 -0.870 -1.707 81 HG SER 146 HG SER 146 -0.635 -0.545 -1.550 82 H MET 147 HN MET 147 1.620 -4.148 -1.388 83 HA MET 147 HA MET 147 3.196 -5.077 0.818 84 HB2 MET 147 HB2 MET 147 3.750 -6.969 -0.640 85 HB3 MET 147 HB1 MET 147 2.021 -6.659 -0.613 86 HG2 MET 147 HG2 MET 147 2.194 -5.514 -2.768 87 HG3 MET 147 HG1 MET 147 3.926 -5.838 -2.797 88 HE1 MET 147 HE1 MET 147 4.022 -9.742 -3.074 89 HE2 MET 147 HE2 MET 147 4.036 -8.806 -1.581 90 HE3 MET 147 HE3 MET 147 4.973 -8.261 -2.969 91 H THR 148 HN THR 148 3.900 -2.556 -0.659 92 HA THR 148 HA THR 148 6.713 -2.843 -0.395 93 HB THR 148 HB THR 148 6.382 -3.727 -2.683 94 HG1 THR 148 HG1 THR 148 8.346 -2.715 -2.216 95 HG21 THR 148 HG21 THR 148 5.766 -2.199 -4.507 96 HG22 THR 148 HG22 THR 148 5.401 -0.947 -3.320 97 HG23 THR 148 HG23 THR 148 4.441 -2.425 -3.365 98 H GLU 149 HN GLU 149 4.744 -1.434 0.872 99 HA GLU 149 HA GLU 149 4.326 1.178 -0.135 100 HB2 GLU 149 HB2 GLU 149 3.398 1.709 2.044 101 HB3 GLU 149 HB1 GLU 149 2.834 0.128 1.525 102 HG2 GLU 149 HG2 GLU 149 4.442 -0.955 2.968 103 HG3 GLU 149 HG1 GLU 149 5.101 0.608 3.444 104 H PHE 150 HN PHE 150 6.985 -0.237 1.217 105 HA PHE 150 HA PHE 150 8.108 2.214 2.304 106 HB2 PHE 150 HB2 PHE 150 9.256 -0.577 2.066 107 HB3 PHE 150 HB1 PHE 150 10.090 0.783 2.811 108 HD1 PHE 150 HD1 PHE 150 9.345 1.686 4.937 109 HD2 PHE 150 HD2 PHE 150 7.434 -1.678 3.177 110 HE1 PHE 150 HE1 PHE 150 8.254 1.188 7.083 111 HE2 PHE 150 HE2 PHE 150 6.340 -2.184 5.321 112 HZ PHE 150 HZ PHE 150 6.747 -0.748 7.275 113 H TYR 151 HN TYR 151 7.927 3.296 0.242 114 HA TYR 151 HA TYR 151 9.589 2.421 -1.939 115 HB2 TYR 151 HB2 TYR 151 8.135 5.044 -1.569 116 HB3 TYR 151 HB1 TYR 151 8.838 4.453 -3.068 117 HD1 TYR 151 HD1 TYR 151 5.976 4.364 -0.871 118 HD2 TYR 151 HD2 TYR 151 7.824 2.454 -4.190 119 HE1 TYR 151 HE1 TYR 151 3.846 3.289 -1.429 120 HE2 TYR 151 HE2 TYR 151 5.699 1.370 -4.757 121 HH TYR 151 HH TYR 151 3.610 0.763 -3.758 122 H HIS 152 HN HIS 152 11.060 4.150 -2.947 123 HA HIS 152 HA HIS 152 12.989 5.334 -2.879 124 HB2 HIS 152 HB2 HIS 152 11.974 6.364 -0.218 125 HB3 HIS 152 HB1 HIS 152 13.277 7.068 -1.170 126 HD1 HIS 152 HD1 HIS 152 9.769 7.408 -0.540 127 HD2 HIS 152 HD2 HIS 152 12.240 7.983 -3.832 128 HE1 HIS 152 HE1 HIS 152 8.480 8.897 -2.098 129 HE2 HIS 152 HE2 HIS 152 9.907 9.058 -4.163 Start of MODEL 16 1 H1 GLY 139 HT1 GLY 139 -11.880 -4.194 0.294 2 H2 GLY 139 HT2 GLY 139 -11.995 -4.766 1.879 3 H3 GLY 139 HT3 GLY 139 -10.784 -3.664 1.463 4 HA2 GLY 139 HA1 GLY 139 -13.694 -3.115 1.456 5 HA3 GLY 139 HA2 GLY 139 -12.554 -2.569 2.679 6 H ARG 140 HN ARG 140 -14.325 -1.294 0.462 7 HA ARG 140 HA ARG 140 -12.462 0.012 -1.268 8 HB2 ARG 140 HB2 ARG 140 -14.823 -0.429 -1.885 9 HB3 ARG 140 HB1 ARG 140 -15.338 0.727 -0.667 10 HG2 ARG 140 HG2 ARG 140 -15.400 1.725 -2.868 11 HG3 ARG 140 HG1 ARG 140 -14.177 2.511 -1.872 12 HD2 ARG 140 HD2 ARG 140 -13.374 2.117 -4.152 13 HD3 ARG 140 HD1 ARG 140 -12.429 1.228 -2.962 14 HE ARG 140 HE ARG 140 -14.482 -0.431 -3.936 15 HH11 ARG 140 HH11 ARG 140 -11.516 1.083 -5.022 16 HH12 ARG 140 HH12 ARG 140 -11.126 -0.187 -6.142 17 HH21 ARG 140 HH21 ARG 140 -13.968 -2.108 -5.413 18 HH22 ARG 140 HH22 ARG 140 -12.532 -1.987 -6.379 19 H LYS 141 HN LYS 141 -13.859 0.731 1.848 20 HA LYS 141 HA LYS 141 -12.954 3.473 1.846 21 HB2 LYS 141 HB2 LYS 141 -14.080 1.690 4.002 22 HB3 LYS 141 HB1 LYS 141 -13.460 3.292 4.353 23 HG2 LYS 141 HG2 LYS 141 -15.823 3.438 4.154 24 HG3 LYS 141 HG1 LYS 141 -15.114 4.216 2.741 25 HD2 LYS 141 HD2 LYS 141 -15.570 2.248 1.394 26 HD3 LYS 141 HD1 LYS 141 -16.194 1.399 2.812 27 HE2 LYS 141 HE2 LYS 141 -17.993 3.017 3.013 28 HE3 LYS 141 HE1 LYS 141 -17.353 3.924 1.644 29 HZ1 LYS 141 HZ1 LYS 141 -19.222 2.469 1.053 30 HZ2 LYS 141 HZ2 LYS 141 -18.310 1.120 1.503 31 HZ3 LYS 141 HZ3 LYS 141 -17.811 2.083 0.205 32 H ARG 142 HN ARG 142 -12.000 0.476 3.494 33 HA ARG 142 HA ARG 142 -9.526 1.663 4.396 34 HB2 ARG 142 HB2 ARG 142 -9.047 -0.596 5.321 35 HB3 ARG 142 HB1 ARG 142 -10.574 0.073 5.875 36 HG2 ARG 142 HG2 ARG 142 -11.809 -1.353 4.404 37 HG3 ARG 142 HG1 ARG 142 -10.325 -1.922 3.636 38 HD2 ARG 142 HD2 ARG 142 -11.125 -3.580 5.202 39 HD3 ARG 142 HD1 ARG 142 -9.613 -2.887 5.783 40 HE ARG 142 HE ARG 142 -11.674 -1.426 6.938 41 HH11 ARG 142 HH11 ARG 142 -10.423 -4.690 7.012 42 HH12 ARG 142 HH12 ARG 142 -11.015 -5.016 8.608 43 HH21 ARG 142 HH21 ARG 142 -12.436 -1.844 9.041 44 HH22 ARG 142 HH22 ARG 142 -12.143 -3.392 9.770 45 H ARG 143 HN ARG 143 -8.965 2.217 2.138 46 HA ARG 143 HA ARG 143 -8.363 0.321 0.173 47 HB2 ARG 143 HB2 ARG 143 -7.124 3.037 0.638 48 HB3 ARG 143 HB1 ARG 143 -6.988 2.101 -0.843 49 HG2 ARG 143 HG2 ARG 143 -9.388 2.244 -1.180 50 HG3 ARG 143 HG1 ARG 143 -9.558 3.136 0.332 51 HD2 ARG 143 HD2 ARG 143 -9.596 4.651 -1.566 52 HD3 ARG 143 HD1 ARG 143 -8.167 4.933 -0.576 53 HE ARG 143 HE ARG 143 -7.192 3.270 -2.418 54 HH11 ARG 143 HH11 ARG 143 -9.229 6.095 -2.754 55 HH12 ARG 143 HH12 ARG 143 -8.597 6.521 -4.310 56 HH21 ARG 143 HH21 ARG 143 -6.363 3.826 -4.474 57 HH22 ARG 143 HH22 ARG 143 -6.971 5.229 -5.291 58 H GLN 144 HN GLN 144 -6.828 -1.150 0.031 59 HA GLN 144 HA GLN 144 -4.614 -1.047 1.950 60 HB2 GLN 144 HB2 GLN 144 -6.047 -3.051 1.974 61 HB3 GLN 144 HB1 GLN 144 -5.651 -3.353 0.291 62 HG2 GLN 144 HG2 GLN 144 -4.387 -4.801 1.774 63 HG3 GLN 144 HG1 GLN 144 -3.326 -3.716 0.882 64 HE21 GLN 144 HE21 GLN 144 -2.141 -2.192 1.976 65 HE22 GLN 144 HE22 GLN 144 -2.038 -2.143 3.700 66 H LYS 145 HN LYS 145 -3.083 0.189 1.015 67 HA LYS 145 HA LYS 145 -2.289 -0.224 -1.740 68 HB2 LYS 145 HB2 LYS 145 -2.361 2.038 -0.861 69 HB3 LYS 145 HB1 LYS 145 -1.287 1.595 0.457 70 HG2 LYS 145 HG2 LYS 145 0.483 1.132 -1.227 71 HG3 LYS 145 HG1 LYS 145 -0.604 1.773 -2.464 72 HD2 LYS 145 HD2 LYS 145 -0.666 3.912 -1.385 73 HD3 LYS 145 HD1 LYS 145 0.244 3.286 -0.007 74 HE2 LYS 145 HE2 LYS 145 1.261 3.507 -2.840 75 HE3 LYS 145 HE1 LYS 145 1.645 4.618 -1.528 76 HZ1 LYS 145 HZ1 LYS 145 2.440 1.775 -1.562 77 H SER 146 HN SER 146 -0.222 -0.941 -2.362 78 HA SER 146 HA SER 146 0.919 -3.016 -0.842 79 HB2 SER 146 HB2 SER 146 2.790 -2.717 -2.627 80 HB3 SER 146 HB1 SER 146 1.185 -3.222 -3.154 81 HG SER 146 HG SER 146 2.422 -0.692 -3.379 82 H MET 147 HN MET 147 1.797 -2.536 1.090 83 HA MET 147 HA MET 147 3.174 -0.068 1.564 84 HB2 MET 147 HB2 MET 147 2.799 -2.506 3.302 85 HB3 MET 147 HB1 MET 147 3.570 -1.019 3.839 86 HG2 MET 147 HG2 MET 147 1.465 0.189 3.284 87 HG3 MET 147 HG1 MET 147 0.718 -1.373 2.953 88 HE1 MET 147 HE1 MET 147 -0.447 0.743 4.961 89 HE2 MET 147 HE2 MET 147 -0.874 -0.244 6.358 90 HE3 MET 147 HE3 MET 147 -1.215 -0.828 4.728 91 H THR 148 HN THR 148 4.177 -2.581 -0.134 92 HA THR 148 HA THR 148 6.817 -2.918 0.903 93 HB THR 148 HB THR 148 6.011 -3.470 -1.946 94 HG1 THR 148 HG1 THR 148 5.330 -4.892 0.428 95 HG21 THR 148 HG21 THR 148 8.368 -3.807 -1.322 96 HG22 THR 148 HG22 THR 148 7.581 -5.335 -1.713 97 HG23 THR 148 HG23 THR 148 7.868 -4.895 -0.029 98 H GLU 149 HN GLU 149 5.274 -0.397 -0.490 99 HA GLU 149 HA GLU 149 7.318 0.698 -2.127 100 HB2 GLU 149 HB2 GLU 149 6.060 2.833 -1.882 101 HB3 GLU 149 HB1 GLU 149 5.065 1.488 -2.416 102 HG2 GLU 149 HG2 GLU 149 4.166 1.222 -0.185 103 HG3 GLU 149 HG1 GLU 149 5.228 2.493 0.418 104 H PHE 150 HN PHE 150 6.918 0.373 1.164 105 HA PHE 150 HA PHE 150 8.727 2.542 1.872 106 HB2 PHE 150 HB2 PHE 150 7.459 0.466 3.677 107 HB3 PHE 150 HB1 PHE 150 8.290 1.931 4.187 108 HD1 PHE 150 HD1 PHE 150 5.183 0.523 3.832 109 HD2 PHE 150 HD2 PHE 150 7.255 4.130 2.934 110 HE1 PHE 150 HE1 PHE 150 3.042 1.731 3.765 111 HE2 PHE 150 HE2 PHE 150 5.116 5.344 2.868 112 HZ PHE 150 HZ PHE 150 3.007 4.145 3.283 113 H TYR 151 HN TYR 151 9.265 -0.067 0.357 114 HA TYR 151 HA TYR 151 11.914 -0.444 1.392 115 HB2 TYR 151 HB2 TYR 151 10.481 -2.019 2.766 116 HB3 TYR 151 HB1 TYR 151 10.077 -2.852 1.269 117 HD1 TYR 151 HD1 TYR 151 11.295 -4.761 0.796 118 HD2 TYR 151 HD2 TYR 151 13.129 -1.669 3.068 119 HE1 TYR 151 HE1 TYR 151 13.312 -6.135 1.027 120 HE2 TYR 151 HE2 TYR 151 15.145 -3.033 3.306 121 HH TYR 151 HH TYR 151 15.841 -5.335 3.210 122 H HIS 152 HN HIS 152 11.478 0.697 -0.847 123 HA HIS 152 HA HIS 152 12.143 -1.221 -2.908 124 HB2 HIS 152 HB2 HIS 152 9.652 -1.168 -2.920 125 HB3 HIS 152 HB1 HIS 152 9.713 0.566 -3.206 126 HD1 HIS 152 HD1 HIS 152 10.920 -2.626 -4.902 127 HD2 HIS 152 HD2 HIS 152 9.649 1.221 -5.833 128 HE1 HIS 152 HE1 HIS 152 10.799 -2.543 -7.409 129 HE2 HIS 152 HE2 HIS 152 10.227 -0.150 -7.950 Start of MODEL 17 1 H1 GLY 139 HT1 GLY 139 -12.683 3.396 5.547 2 H2 GLY 139 HT2 GLY 139 -13.464 2.911 6.959 3 H3 GLY 139 HT3 GLY 139 -13.055 4.533 6.738 4 HA2 GLY 139 HA1 GLY 139 -15.399 4.256 6.368 5 HA3 GLY 139 HA2 GLY 139 -14.588 4.683 4.868 6 H ARG 140 HN ARG 140 -16.236 3.752 3.615 7 HA ARG 140 HA ARG 140 -16.814 0.934 3.903 8 HB2 ARG 140 HB2 ARG 140 -18.598 2.431 3.177 9 HB3 ARG 140 HB1 ARG 140 -17.645 2.935 1.788 10 HG2 ARG 140 HG2 ARG 140 -17.819 0.767 0.795 11 HG3 ARG 140 HG1 ARG 140 -18.576 0.110 2.247 12 HD2 ARG 140 HD2 ARG 140 -19.741 2.269 0.493 13 HD3 ARG 140 HD1 ARG 140 -20.206 0.568 0.456 14 HE ARG 140 HE ARG 140 -20.491 1.476 3.080 15 HH11 ARG 140 HH11 ARG 140 -21.930 2.043 -0.060 16 HH12 ARG 140 HH12 ARG 140 -23.484 2.460 0.591 17 HH21 ARG 140 HH21 ARG 140 -22.546 2.020 3.930 18 HH22 ARG 140 HH22 ARG 140 -23.834 2.453 2.850 19 H LYS 141 HN LYS 141 -15.185 3.011 1.525 20 HA LYS 141 HA LYS 141 -14.211 0.730 0.054 21 HB2 LYS 141 HB2 LYS 141 -13.064 2.354 -1.352 22 HB3 LYS 141 HB1 LYS 141 -14.736 2.832 -1.109 23 HG2 LYS 141 HG2 LYS 141 -13.948 4.411 0.658 24 HG3 LYS 141 HG1 LYS 141 -12.294 4.012 0.193 25 HD2 LYS 141 HD2 LYS 141 -12.826 4.744 -2.121 26 HD3 LYS 141 HD1 LYS 141 -14.417 5.255 -1.556 27 HE2 LYS 141 HE2 LYS 141 -13.023 7.181 -1.613 28 HE3 LYS 141 HE1 LYS 141 -13.261 6.750 0.079 29 HZ1 LYS 141 HZ1 LYS 141 -10.963 7.303 -0.362 30 HZ2 LYS 141 HZ2 LYS 141 -10.867 6.113 -1.556 31 HZ3 LYS 141 HZ3 LYS 141 -11.094 5.672 0.059 32 H ARG 142 HN ARG 142 -12.233 -0.185 0.182 33 HA ARG 142 HA ARG 142 -10.297 0.956 2.062 34 HB2 ARG 142 HB2 ARG 142 -11.353 -1.877 2.142 35 HB3 ARG 142 HB1 ARG 142 -9.939 -1.324 3.030 36 HG2 ARG 142 HG2 ARG 142 -11.317 0.259 4.261 37 HG3 ARG 142 HG1 ARG 142 -12.737 -0.266 3.359 38 HD2 ARG 142 HD2 ARG 142 -11.057 -2.036 5.129 39 HD3 ARG 142 HD1 ARG 142 -12.574 -1.278 5.608 40 HE ARG 142 HE ARG 142 -12.498 -3.115 3.311 41 HH11 ARG 142 HH11 ARG 142 -13.659 -2.291 6.512 42 HH12 ARG 142 HH12 ARG 142 -14.867 -3.534 6.531 43 HH21 ARG 142 HH21 ARG 142 -14.071 -4.765 3.344 44 HH22 ARG 142 HH22 ARG 142 -15.097 -4.951 4.732 45 H ARG 143 HN ARG 143 -8.828 1.440 0.498 46 HA ARG 143 HA ARG 143 -7.973 -0.649 -1.347 47 HB2 ARG 143 HB2 ARG 143 -8.243 1.786 -2.040 48 HB3 ARG 143 HB1 ARG 143 -6.816 2.129 -1.068 49 HG2 ARG 143 HG2 ARG 143 -5.567 0.475 -2.447 50 HG3 ARG 143 HG1 ARG 143 -6.989 0.340 -3.480 51 HD2 ARG 143 HD2 ARG 143 -5.573 1.884 -4.551 52 HD3 ARG 143 HD1 ARG 143 -6.832 2.850 -3.784 53 HE ARG 143 HE ARG 143 -4.982 2.952 -1.905 54 HH11 ARG 143 HH11 ARG 143 -4.641 3.268 -5.374 55 HH12 ARG 143 HH12 ARG 143 -3.233 4.274 -5.273 56 HH21 ARG 143 HH21 ARG 143 -3.121 4.281 -1.766 57 HH22 ARG 143 HH22 ARG 143 -2.369 4.854 -3.222 58 H GLN 144 HN GLN 144 -6.299 -1.934 -0.943 59 HA GLN 144 HA GLN 144 -4.630 -1.340 1.387 60 HB2 GLN 144 HB2 GLN 144 -5.782 -3.549 1.263 61 HB3 GLN 144 HB1 GLN 144 -4.857 -3.911 -0.189 62 HG2 GLN 144 HG2 GLN 144 -2.777 -3.666 1.143 63 HG3 GLN 144 HG1 GLN 144 -3.774 -3.474 2.585 64 HE21 GLN 144 HE21 GLN 144 -1.808 -5.515 1.941 65 HE22 GLN 144 HE22 GLN 144 -2.637 -7.030 2.034 66 H LYS 145 HN LYS 145 -3.281 0.213 0.407 67 HA LYS 145 HA LYS 145 -1.803 -0.280 -1.966 68 HB2 LYS 145 HB2 LYS 145 -2.180 1.976 -1.141 69 HB3 LYS 145 HB1 LYS 145 -1.347 1.597 0.357 70 HG2 LYS 145 HG2 LYS 145 0.719 1.204 -1.011 71 HG3 LYS 145 HG1 LYS 145 -0.165 1.870 -2.388 72 HD2 LYS 145 HD2 LYS 145 -0.480 3.958 -1.243 73 HD3 LYS 145 HD1 LYS 145 0.227 3.296 0.233 74 HE2 LYS 145 HE2 LYS 145 1.656 3.693 -2.400 75 HE3 LYS 145 HE1 LYS 145 1.816 4.722 -0.977 76 HZ1 LYS 145 HZ1 LYS 145 2.493 1.889 -0.707 77 H SER 146 HN SER 146 0.390 -0.895 -2.168 78 HA SER 146 HA SER 146 1.335 -2.913 -0.475 79 HB2 SER 146 HB2 SER 146 2.986 -1.180 -2.331 80 HB3 SER 146 HB1 SER 146 3.375 -2.808 -1.776 81 HG SER 146 HG SER 146 2.370 -3.420 -3.514 82 H MET 147 HN MET 147 1.576 -2.422 1.638 83 HA MET 147 HA MET 147 2.427 0.065 2.635 84 HB2 MET 147 HB2 MET 147 2.406 -2.644 3.977 85 HB3 MET 147 HB1 MET 147 2.616 -1.107 4.807 86 HG2 MET 147 HG2 MET 147 0.394 -0.410 4.115 87 HG3 MET 147 HG1 MET 147 0.181 -1.923 3.235 88 HE1 MET 147 HE1 MET 147 -1.870 -0.788 5.411 89 HE2 MET 147 HE2 MET 147 -2.266 -2.265 6.292 90 HE3 MET 147 HE3 MET 147 -2.124 -2.297 4.535 91 H THR 148 HN THR 148 4.159 -2.828 1.735 92 HA THR 148 HA THR 148 6.658 -1.909 2.848 93 HB THR 148 HB THR 148 6.434 -4.121 0.826 94 HG1 THR 148 HG1 THR 148 5.464 -4.046 3.475 95 HG21 THR 148 HG21 THR 148 8.134 -3.754 3.299 96 HG22 THR 148 HG22 THR 148 8.662 -3.458 1.643 97 HG23 THR 148 HG23 THR 148 8.240 -5.092 2.155 98 H GLU 149 HN GLU 149 5.322 -0.138 0.902 99 HA GLU 149 HA GLU 149 6.853 -0.214 -1.513 100 HB2 GLU 149 HB2 GLU 149 5.969 2.124 -1.839 101 HB3 GLU 149 HB1 GLU 149 4.752 0.870 -1.654 102 HG2 GLU 149 HG2 GLU 149 4.349 1.528 0.626 103 HG3 GLU 149 HG1 GLU 149 5.668 2.697 0.555 104 H PHE 150 HN PHE 150 7.997 0.170 1.385 105 HA PHE 150 HA PHE 150 9.775 2.413 0.845 106 HB2 PHE 150 HB2 PHE 150 9.561 0.627 3.279 107 HB3 PHE 150 HB1 PHE 150 10.577 2.057 3.144 108 HD1 PHE 150 HD1 PHE 150 9.512 4.297 2.919 109 HD2 PHE 150 HD2 PHE 150 7.272 0.794 3.825 110 HE1 PHE 150 HE1 PHE 150 7.655 5.696 3.717 111 HE2 PHE 150 HE2 PHE 150 5.409 2.189 4.620 112 HZ PHE 150 HZ PHE 150 5.598 4.643 4.565 113 H TYR 151 HN TYR 151 11.769 2.155 0.107 114 HA TYR 151 HA TYR 151 13.656 1.235 -0.723 115 HB2 TYR 151 HB2 TYR 151 13.850 0.385 1.663 116 HB3 TYR 151 HB1 TYR 151 13.176 -1.134 1.089 117 HD1 TYR 151 HD1 TYR 151 16.044 1.172 0.746 118 HD2 TYR 151 HD2 TYR 151 14.549 -2.732 -0.021 119 HE1 TYR 151 HE1 TYR 151 18.295 0.444 0.118 120 HE2 TYR 151 HE2 TYR 151 16.800 -3.474 -0.655 121 HH TYR 151 HH TYR 151 18.898 -2.565 -1.423 122 H HIS 152 HN HIS 152 12.647 1.041 -2.723 123 HA HIS 152 HA HIS 152 12.007 0.006 -4.634 124 HB2 HIS 152 HB2 HIS 152 13.013 -2.441 -3.179 125 HB3 HIS 152 HB1 HIS 152 12.419 -2.485 -4.833 126 HD1 HIS 152 HD1 HIS 152 13.937 -1.522 -6.661 127 HD2 HIS 152 HD2 HIS 152 15.526 -1.228 -2.833 128 HE1 HIS 152 HE1 HIS 152 16.358 -0.926 -6.979 129 HE2 HIS 152 HE2 HIS 152 17.254 -0.597 -4.650 Start of MODEL 18 1 H1 GLY 139 HT1 GLY 139 -7.585 4.144 5.089 2 H2 GLY 139 HT2 GLY 139 -5.988 4.089 4.536 3 H3 GLY 139 HT3 GLY 139 -6.981 2.730 4.392 4 HA2 GLY 139 HA1 GLY 139 -7.426 5.312 3.006 5 HA3 GLY 139 HA2 GLY 139 -6.711 3.883 2.269 6 H ARG 140 HN ARG 140 -9.157 5.309 1.527 7 HA ARG 140 HA ARG 140 -11.309 3.530 2.299 8 HB2 ARG 140 HB2 ARG 140 -11.229 5.841 0.358 9 HB3 ARG 140 HB1 ARG 140 -12.675 4.926 0.750 10 HG2 ARG 140 HG2 ARG 140 -12.503 5.630 3.078 11 HG3 ARG 140 HG1 ARG 140 -11.042 6.543 2.694 12 HD2 ARG 140 HD2 ARG 140 -12.298 7.951 1.165 13 HD3 ARG 140 HD1 ARG 140 -13.762 7.019 1.479 14 HE ARG 140 HE ARG 140 -12.730 8.024 3.903 15 HH11 ARG 140 HH11 ARG 140 -14.340 9.093 0.989 16 HH12 ARG 140 HH12 ARG 140 -15.123 10.438 1.761 17 HH21 ARG 140 HH21 ARG 140 -13.741 9.810 4.919 18 HH22 ARG 140 HH22 ARG 140 -14.777 10.847 3.992 19 H LYS 141 HN LYS 141 -9.947 4.531 -0.842 20 HA LYS 141 HA LYS 141 -11.044 2.353 -2.270 21 HB2 LYS 141 HB2 LYS 141 -10.371 4.390 -3.412 22 HB3 LYS 141 HB1 LYS 141 -8.701 4.153 -2.920 23 HG2 LYS 141 HG2 LYS 141 -8.597 2.118 -4.277 24 HG3 LYS 141 HG1 LYS 141 -10.267 2.376 -4.777 25 HD2 LYS 141 HD2 LYS 141 -7.985 4.285 -5.290 26 HD3 LYS 141 HD1 LYS 141 -8.635 3.142 -6.466 27 HE2 LYS 141 HE2 LYS 141 -10.846 4.250 -6.233 28 HE3 LYS 141 HE1 LYS 141 -10.091 5.453 -5.189 29 HZ1 LYS 141 HZ1 LYS 141 -9.428 4.925 -8.032 30 HZ2 LYS 141 HZ2 LYS 141 -8.609 6.024 -7.040 31 HZ3 LYS 141 HZ3 LYS 141 -10.237 6.280 -7.423 32 H ARG 142 HN ARG 142 -7.846 2.941 -0.883 33 HA ARG 142 HA ARG 142 -7.091 0.171 -1.493 34 HB2 ARG 142 HB2 ARG 142 -5.347 2.427 -0.478 35 HB3 ARG 142 HB1 ARG 142 -4.802 0.853 -1.039 36 HG2 ARG 142 HG2 ARG 142 -6.117 2.973 -2.727 37 HG3 ARG 142 HG1 ARG 142 -4.399 2.583 -2.698 38 HD2 ARG 142 HD2 ARG 142 -4.979 0.277 -3.439 39 HD3 ARG 142 HD1 ARG 142 -6.653 0.804 -3.611 40 HE ARG 142 HE ARG 142 -4.851 2.484 -5.049 41 HH11 ARG 142 HH11 ARG 142 -6.546 -0.578 -5.198 42 HH12 ARG 142 HH12 ARG 142 -6.528 -0.645 -6.933 43 HH21 ARG 142 HH21 ARG 142 -4.840 2.401 -7.329 44 HH22 ARG 142 HH22 ARG 142 -5.555 1.044 -8.142 45 H ARG 143 HN ARG 143 -8.681 -0.412 0.268 46 HA ARG 143 HA ARG 143 -8.009 0.220 2.979 47 HB2 ARG 143 HB2 ARG 143 -10.304 -0.443 2.162 48 HB3 ARG 143 HB1 ARG 143 -9.701 -2.089 2.015 49 HG2 ARG 143 HG2 ARG 143 -9.207 -2.127 4.405 50 HG3 ARG 143 HG1 ARG 143 -9.807 -0.478 4.557 51 HD2 ARG 143 HD2 ARG 143 -11.396 -2.888 3.697 52 HD3 ARG 143 HD1 ARG 143 -11.488 -2.086 5.264 53 HE ARG 143 HE ARG 143 -12.167 -0.647 2.789 54 HH11 ARG 143 HH11 ARG 143 -13.050 -1.827 5.963 55 HH12 ARG 143 HH12 ARG 143 -14.560 -0.979 5.996 56 HH21 ARG 143 HH21 ARG 143 -14.155 0.451 2.817 57 HH22 ARG 143 HH22 ARG 143 -15.194 0.317 4.200 58 H GLN 144 HN GLN 144 -7.082 -2.168 0.682 59 HA GLN 144 HA GLN 144 -5.245 -3.327 2.666 60 HB2 GLN 144 HB2 GLN 144 -6.722 -4.957 1.498 61 HB3 GLN 144 HB1 GLN 144 -6.046 -4.436 -0.037 62 HG2 GLN 144 HG2 GLN 144 -3.837 -5.201 0.681 63 HG3 GLN 144 HG1 GLN 144 -4.526 -5.740 2.211 64 HE21 GLN 144 HE21 GLN 144 -6.988 -6.681 0.977 65 HE22 GLN 144 HE22 GLN 144 -6.590 -8.142 0.143 66 H LYS 145 HN LYS 145 -3.986 -1.389 2.466 67 HA LYS 145 HA LYS 145 -3.063 -0.417 -0.020 68 HB2 LYS 145 HB2 LYS 145 -3.283 0.953 1.996 69 HB3 LYS 145 HB1 LYS 145 -2.031 0.005 2.782 70 HG2 LYS 145 HG2 LYS 145 -0.450 0.752 1.019 71 HG3 LYS 145 HG1 LYS 145 -1.719 1.826 0.415 72 HD2 LYS 145 HD2 LYS 145 -1.797 2.999 2.502 73 HD3 LYS 145 HD1 LYS 145 -0.687 1.841 3.240 74 HE2 LYS 145 HE2 LYS 145 -0.076 3.770 1.002 75 HE3 LYS 145 HE1 LYS 145 0.507 3.867 2.663 76 HZ1 LYS 145 HZ1 LYS 145 1.218 1.590 0.940 77 H SER 146 HN SER 146 -1.216 -0.781 -1.115 78 HA SER 146 HA SER 146 0.145 -3.205 -0.821 79 HB2 SER 146 HB2 SER 146 1.028 -0.723 -2.310 80 HB3 SER 146 HB1 SER 146 1.649 -2.356 -2.560 81 HG SER 146 HG SER 146 -0.889 -2.659 -2.795 82 H MET 147 HN MET 147 1.397 -3.734 0.794 83 HA MET 147 HA MET 147 2.591 -1.821 2.535 84 HB2 MET 147 HB2 MET 147 2.936 -4.822 2.384 85 HB3 MET 147 HB1 MET 147 3.477 -3.802 3.713 86 HG2 MET 147 HG2 MET 147 1.205 -3.198 4.233 87 HG3 MET 147 HG1 MET 147 0.614 -4.080 2.829 88 HE1 MET 147 HE1 MET 147 -0.532 -4.454 5.779 89 HE2 MET 147 HE2 MET 147 -0.707 -6.210 5.826 90 HE3 MET 147 HE3 MET 147 -1.133 -5.318 4.365 91 H THR 148 HN THR 148 3.529 -2.959 -0.423 92 HA THR 148 HA THR 148 6.364 -3.051 0.020 93 HB THR 148 HB THR 148 6.421 -3.055 -2.522 94 HG1 THR 148 HG1 THR 148 4.603 -2.457 -3.421 95 HG21 THR 148 HG21 THR 148 6.510 -5.132 -1.233 96 HG22 THR 148 HG22 THR 148 5.546 -5.350 -2.693 97 HG23 THR 148 HG23 THR 148 4.750 -5.157 -1.133 98 H GLU 149 HN GLU 149 4.430 -0.540 0.318 99 HA GLU 149 HA GLU 149 5.563 1.365 -1.472 100 HB2 GLU 149 HB2 GLU 149 4.390 3.049 -0.048 101 HB3 GLU 149 HB1 GLU 149 3.356 1.778 -0.683 102 HG2 GLU 149 HG2 GLU 149 3.276 0.681 1.428 103 HG3 GLU 149 HG1 GLU 149 4.524 1.739 2.088 104 H PHE 150 HN PHE 150 7.160 -0.146 0.805 105 HA PHE 150 HA PHE 150 8.486 2.172 1.971 106 HB2 PHE 150 HB2 PHE 150 8.910 -0.789 2.424 107 HB3 PHE 150 HB1 PHE 150 9.791 0.488 3.258 108 HD1 PHE 150 HD1 PHE 150 8.244 2.292 4.419 109 HD2 PHE 150 HD2 PHE 150 7.059 -1.677 3.453 110 HE1 PHE 150 HE1 PHE 150 6.473 2.413 6.119 111 HE2 PHE 150 HE2 PHE 150 5.283 -1.563 5.150 112 HZ PHE 150 HZ PHE 150 4.989 0.483 6.487 113 H TYR 151 HN TYR 151 8.787 2.257 -0.655 114 HA TYR 151 HA TYR 151 11.183 0.907 -1.533 115 HB2 TYR 151 HB2 TYR 151 9.256 1.414 -3.048 116 HB3 TYR 151 HB1 TYR 151 9.628 3.125 -2.881 117 HD1 TYR 151 HD1 TYR 151 11.403 4.124 -4.127 118 HD2 TYR 151 HD2 TYR 151 10.838 -0.088 -4.233 119 HE1 TYR 151 HE1 TYR 151 12.947 3.973 -6.024 120 HE2 TYR 151 HE2 TYR 151 12.383 -0.252 -6.127 121 HH TYR 151 HH TYR 151 14.399 2.318 -7.096 122 H HIS 152 HN HIS 152 13.130 1.589 -0.890 123 HA HIS 152 HA HIS 152 13.813 4.379 -1.118 124 HB2 HIS 152 HB2 HIS 152 14.693 4.592 1.185 125 HB3 HIS 152 HB1 HIS 152 12.950 4.400 1.144 126 HD1 HIS 152 HD1 HIS 152 12.061 1.958 1.846 127 HD2 HIS 152 HD2 HIS 152 16.017 2.815 2.778 128 HE1 HIS 152 HE1 HIS 152 12.732 0.260 3.567 129 HE2 HIS 152 HE2 HIS 152 15.181 0.685 3.977 Start of MODEL 19 1 H1 GLY 139 HT1 GLY 139 -14.401 9.208 1.467 2 H2 GLY 139 HT2 GLY 139 -13.277 8.829 0.261 3 H3 GLY 139 HT3 GLY 139 -12.754 9.129 1.838 4 HA2 GLY 139 HA1 GLY 139 -13.936 7.165 2.619 5 HA3 GLY 139 HA2 GLY 139 -14.427 6.844 0.963 6 H ARG 140 HN ARG 140 -12.892 5.118 2.678 7 HA ARG 140 HA ARG 140 -10.148 5.318 1.783 8 HB2 ARG 140 HB2 ARG 140 -11.573 3.291 3.502 9 HB3 ARG 140 HB1 ARG 140 -9.889 3.131 3.036 10 HG2 ARG 140 HG2 ARG 140 -9.875 4.045 5.199 11 HG3 ARG 140 HG1 ARG 140 -9.513 5.388 4.116 12 HD2 ARG 140 HD2 ARG 140 -11.870 6.080 4.222 13 HD3 ARG 140 HD1 ARG 140 -12.191 4.761 5.346 14 HE ARG 140 HE ARG 140 -10.095 6.540 6.199 15 HH11 ARG 140 HH11 ARG 140 -13.545 5.970 6.155 16 HH12 ARG 140 HH12 ARG 140 -13.849 6.890 7.592 17 HH21 ARG 140 HH21 ARG 140 -10.483 7.774 8.084 18 HH22 ARG 140 HH22 ARG 140 -12.102 7.927 8.690 19 H LYS 141 HN LYS 141 -9.918 4.906 -0.326 20 HA LYS 141 HA LYS 141 -11.230 2.563 -1.468 21 HB2 LYS 141 HB2 LYS 141 -10.374 3.412 -3.637 22 HB3 LYS 141 HB1 LYS 141 -11.413 4.555 -2.799 23 HG2 LYS 141 HG2 LYS 141 -9.363 5.723 -1.996 24 HG3 LYS 141 HG1 LYS 141 -8.415 4.643 -3.022 25 HD2 LYS 141 HD2 LYS 141 -9.688 5.428 -4.982 26 HD3 LYS 141 HD1 LYS 141 -10.569 6.548 -3.942 27 HE2 LYS 141 HE2 LYS 141 -8.406 7.600 -3.338 28 HE3 LYS 141 HE1 LYS 141 -7.608 6.547 -4.503 29 HZ1 LYS 141 HZ1 LYS 141 -9.683 8.582 -5.109 30 HZ2 LYS 141 HZ2 LYS 141 -9.010 7.526 -6.241 31 HZ3 LYS 141 HZ3 LYS 141 -8.038 8.684 -5.487 32 H ARG 142 HN ARG 142 -8.378 3.393 0.027 33 HA ARG 142 HA ARG 142 -6.880 1.225 -1.258 34 HB2 ARG 142 HB2 ARG 142 -5.719 3.395 -0.902 35 HB3 ARG 142 HB1 ARG 142 -5.970 3.226 0.827 36 HG2 ARG 142 HG2 ARG 142 -3.741 2.573 0.388 37 HG3 ARG 142 HG1 ARG 142 -4.646 1.095 0.716 38 HD2 ARG 142 HD2 ARG 142 -3.223 0.687 -1.159 39 HD3 ARG 142 HD1 ARG 142 -4.882 0.781 -1.747 40 HE ARG 142 HE ARG 142 -3.670 3.322 -1.918 41 HH11 ARG 142 HH11 ARG 142 -3.616 0.172 -3.447 42 HH12 ARG 142 HH12 ARG 142 -3.053 0.777 -4.972 43 HH21 ARG 142 HH21 ARG 142 -2.924 4.123 -3.930 44 HH22 ARG 142 HH22 ARG 142 -2.664 3.024 -5.244 45 H ARG 143 HN ARG 143 -8.470 -0.293 -0.312 46 HA ARG 143 HA ARG 143 -8.713 -0.652 2.483 47 HB2 ARG 143 HB2 ARG 143 -10.320 -1.608 0.886 48 HB3 ARG 143 HB1 ARG 143 -9.070 -2.676 0.259 49 HG2 ARG 143 HG2 ARG 143 -8.903 -3.746 2.464 50 HG3 ARG 143 HG1 ARG 143 -10.202 -2.703 3.048 51 HD2 ARG 143 HD2 ARG 143 -11.065 -4.894 2.436 52 HD3 ARG 143 HD1 ARG 143 -11.713 -3.647 1.373 53 HE ARG 143 HE ARG 143 -9.634 -4.502 -0.056 54 HH11 ARG 143 HH11 ARG 143 -12.085 -6.312 1.663 55 HH12 ARG 143 HH12 ARG 143 -12.042 -7.655 0.567 56 HH21 ARG 143 HH21 ARG 143 -9.584 -6.255 -1.507 57 HH22 ARG 143 HH22 ARG 143 -10.617 -7.624 -1.239 58 H GLN 144 HN GLN 144 -6.762 -2.382 0.067 59 HA GLN 144 HA GLN 144 -5.083 -3.405 2.245 60 HB2 GLN 144 HB2 GLN 144 -6.000 -5.066 0.647 61 HB3 GLN 144 HB1 GLN 144 -5.163 -4.241 -0.660 62 HG2 GLN 144 HG2 GLN 144 -3.914 -6.185 0.002 63 HG3 GLN 144 HG1 GLN 144 -3.014 -4.731 0.434 64 HE21 GLN 144 HE21 GLN 144 -1.819 -5.764 2.014 65 HE22 GLN 144 HE22 GLN 144 -2.509 -6.275 3.519 66 H LYS 145 HN LYS 145 -3.311 -2.267 2.667 67 HA LYS 145 HA LYS 145 -2.222 -0.455 0.701 68 HB2 LYS 145 HB2 LYS 145 -2.436 0.146 3.091 69 HB3 LYS 145 HB1 LYS 145 -1.326 -1.150 3.503 70 HG2 LYS 145 HG2 LYS 145 0.389 0.006 2.084 71 HG3 LYS 145 HG1 LYS 145 -0.733 1.370 1.984 72 HD2 LYS 145 HD2 LYS 145 -0.766 1.535 4.405 73 HD3 LYS 145 HD1 LYS 145 0.320 0.151 4.521 74 HE2 LYS 145 HE2 LYS 145 0.919 2.850 3.313 75 HE3 LYS 145 HE1 LYS 145 1.576 2.200 4.810 76 HZ1 LYS 145 HZ1 LYS 145 2.218 1.201 2.111 77 H SER 146 HN SER 146 -0.274 -0.716 -0.337 78 HA SER 146 HA SER 146 0.677 -3.376 -0.678 79 HB2 SER 146 HB2 SER 146 0.745 -1.648 -2.474 80 HB3 SER 146 HB1 SER 146 1.978 -0.782 -1.559 81 HG SER 146 HG SER 146 2.208 -3.459 -2.490 82 H MET 147 HN MET 147 1.931 -4.426 0.700 83 HA MET 147 HA MET 147 3.282 -3.149 2.848 84 HB2 MET 147 HB2 MET 147 3.501 -5.964 1.768 85 HB3 MET 147 HB1 MET 147 4.276 -5.412 3.247 86 HG2 MET 147 HG2 MET 147 1.313 -5.460 2.716 87 HG3 MET 147 HG1 MET 147 2.209 -6.603 3.715 88 HE1 MET 147 HE1 MET 147 -0.382 -4.973 4.674 89 HE2 MET 147 HE2 MET 147 0.102 -4.509 6.305 90 HE3 MET 147 HE3 MET 147 0.464 -6.127 5.703 91 H THR 148 HN THR 148 4.059 -3.670 -0.387 92 HA THR 148 HA THR 148 6.924 -3.591 -0.131 93 HB THR 148 HB THR 148 5.346 -2.995 -2.632 94 HG1 THR 148 HG1 THR 148 5.688 -5.432 -1.234 95 HG21 THR 148 HG21 THR 148 7.239 -4.101 -3.731 96 HG22 THR 148 HG22 THR 148 7.983 -4.399 -2.162 97 HG23 THR 148 HG23 THR 148 7.791 -2.746 -2.745 98 H GLU 149 HN GLU 149 5.040 -1.405 0.927 99 HA GLU 149 HA GLU 149 5.544 0.956 -0.582 100 HB2 GLU 149 HB2 GLU 149 4.597 2.120 1.367 101 HB3 GLU 149 HB1 GLU 149 3.600 0.770 0.840 102 HG2 GLU 149 HG2 GLU 149 4.423 -0.601 2.646 103 HG3 GLU 149 HG1 GLU 149 5.549 0.664 3.134 104 H PHE 150 HN PHE 150 7.958 -0.531 0.208 105 HA PHE 150 HA PHE 150 9.283 1.147 2.158 106 HB2 PHE 150 HB2 PHE 150 10.329 -1.080 0.399 107 HB3 PHE 150 HB1 PHE 150 11.282 -0.241 1.618 108 HD1 PHE 150 HD1 PHE 150 9.290 -3.050 0.974 109 HD2 PHE 150 HD2 PHE 150 10.220 -0.227 4.020 110 HE1 PHE 150 HE1 PHE 150 8.507 -4.638 2.682 111 HE2 PHE 150 HE2 PHE 150 9.443 -1.812 5.729 112 HZ PHE 150 HZ PHE 150 8.586 -4.023 5.064 113 H TYR 151 HN TYR 151 8.783 1.039 -1.209 114 HA TYR 151 HA TYR 151 10.995 2.758 -1.891 115 HB2 TYR 151 HB2 TYR 151 8.542 2.014 -3.499 116 HB3 TYR 151 HB1 TYR 151 9.974 2.825 -4.121 117 HD1 TYR 151 HD1 TYR 151 8.446 -0.336 -3.344 118 HD2 TYR 151 HD2 TYR 151 12.166 1.562 -4.142 119 HE1 TYR 151 HE1 TYR 151 9.444 -2.517 -3.853 120 HE2 TYR 151 HE2 TYR 151 13.171 -0.613 -4.655 121 HH TYR 151 HH TYR 151 12.767 -3.007 -4.096 122 H HIS 152 HN HIS 152 10.748 4.916 -2.647 123 HA HIS 152 HA HIS 152 10.104 7.073 -2.436 124 HB2 HIS 152 HB2 HIS 152 8.129 6.305 -3.729 125 HB3 HIS 152 HB1 HIS 152 7.303 5.942 -2.219 126 HD1 HIS 152 HD1 HIS 152 6.109 7.829 -1.076 127 HD2 HIS 152 HD2 HIS 152 8.565 9.120 -4.168 128 HE1 HIS 152 HE1 HIS 152 5.580 10.269 -1.387 129 HE2 HIS 152 HE2 HIS 152 6.989 10.995 -3.344 Start of MODEL 20 1 H1 GLY 139 HT1 GLY 139 -13.676 7.703 -1.656 2 H2 GLY 139 HT2 GLY 139 -13.362 8.334 -3.191 3 H3 GLY 139 HT3 GLY 139 -13.676 9.377 -1.900 4 HA2 GLY 139 HA1 GLY 139 -11.323 9.346 -2.395 5 HA3 GLY 139 HA2 GLY 139 -11.649 8.677 -0.802 6 H ARG 140 HN ARG 140 -9.755 7.457 -0.785 7 HA ARG 140 HA ARG 140 -9.928 5.007 -2.354 8 HB2 ARG 140 HB2 ARG 140 -7.434 5.084 -2.766 9 HB3 ARG 140 HB1 ARG 140 -8.397 6.204 -3.714 10 HG2 ARG 140 HG2 ARG 140 -7.095 7.102 -1.173 11 HG3 ARG 140 HG1 ARG 140 -6.175 7.005 -2.674 12 HD2 ARG 140 HD2 ARG 140 -7.684 8.534 -3.755 13 HD3 ARG 140 HD1 ARG 140 -8.749 8.538 -2.352 14 HE ARG 140 HE ARG 140 -6.132 9.389 -1.645 15 HH11 ARG 140 HH11 ARG 140 -9.025 10.446 -3.294 16 HH12 ARG 140 HH12 ARG 140 -8.785 12.121 -2.918 17 HH21 ARG 140 HH21 ARG 140 -5.803 11.604 -1.152 18 HH22 ARG 140 HH22 ARG 140 -6.950 12.783 -1.705 19 H LYS 141 HN LYS 141 -10.686 4.291 -0.260 20 HA LYS 141 HA LYS 141 -8.817 4.158 1.924 21 HB2 LYS 141 HB2 LYS 141 -11.423 2.688 1.470 22 HB3 LYS 141 HB1 LYS 141 -10.500 2.661 2.964 23 HG2 LYS 141 HG2 LYS 141 -10.826 5.085 3.193 24 HG3 LYS 141 HG1 LYS 141 -11.800 5.073 1.722 25 HD2 LYS 141 HD2 LYS 141 -13.349 3.480 2.803 26 HD3 LYS 141 HD1 LYS 141 -12.401 3.601 4.285 27 HE2 LYS 141 HE2 LYS 141 -13.806 5.890 2.915 28 HE3 LYS 141 HE1 LYS 141 -14.405 5.026 4.328 29 HZ1 LYS 141 HZ1 LYS 141 -12.412 5.750 5.531 30 HZ2 LYS 141 HZ2 LYS 141 -13.339 7.057 4.994 31 HZ3 LYS 141 HZ3 LYS 141 -11.918 6.641 4.180 32 H ARG 142 HN ARG 142 -7.043 2.968 1.681 33 HA ARG 142 HA ARG 142 -7.010 0.723 -0.131 34 HB2 ARG 142 HB2 ARG 142 -4.777 1.677 1.666 35 HB3 ARG 142 HB1 ARG 142 -4.632 0.675 0.230 36 HG2 ARG 142 HG2 ARG 142 -5.470 3.567 0.309 37 HG3 ARG 142 HG1 ARG 142 -3.911 2.942 -0.221 38 HD2 ARG 142 HD2 ARG 142 -6.550 2.278 -1.513 39 HD3 ARG 142 HD1 ARG 142 -5.451 3.530 -2.081 40 HE ARG 142 HE ARG 142 -4.347 0.849 -1.854 41 HH11 ARG 142 HH11 ARG 142 -5.759 3.292 -3.924 42 HH12 ARG 142 HH12 ARG 142 -5.176 2.575 -5.389 43 HH21 ARG 142 HH21 ARG 142 -3.565 -0.094 -3.788 44 HH22 ARG 142 HH22 ARG 142 -3.928 0.651 -5.311 45 H ARG 143 HN ARG 143 -8.399 -0.737 0.890 46 HA ARG 143 HA ARG 143 -8.149 -1.648 3.535 47 HB2 ARG 143 HB2 ARG 143 -9.423 -3.654 2.710 48 HB3 ARG 143 HB1 ARG 143 -10.172 -2.105 2.361 49 HG2 ARG 143 HG2 ARG 143 -9.348 -2.210 0.067 50 HG3 ARG 143 HG1 ARG 143 -8.575 -3.757 0.415 51 HD2 ARG 143 HD2 ARG 143 -11.535 -3.204 0.598 52 HD3 ARG 143 HD1 ARG 143 -10.733 -4.019 -0.744 53 HE ARG 143 HE ARG 143 -10.051 -5.382 1.580 54 HH11 ARG 143 HH11 ARG 143 -12.943 -4.708 -0.281 55 HH12 ARG 143 HH12 ARG 143 -13.738 -6.173 0.193 56 HH21 ARG 143 HH21 ARG 143 -11.092 -7.319 2.186 57 HH22 ARG 143 HH22 ARG 143 -12.684 -7.656 1.590 58 H GLN 144 HN GLN 144 -6.501 -2.526 0.601 59 HA GLN 144 HA GLN 144 -4.848 -4.422 2.132 60 HB2 GLN 144 HB2 GLN 144 -5.463 -4.362 -0.828 61 HB3 GLN 144 HB1 GLN 144 -4.273 -5.423 -0.089 62 HG2 GLN 144 HG2 GLN 144 -6.035 -6.470 1.242 63 HG3 GLN 144 HG1 GLN 144 -7.227 -5.410 0.490 64 HE21 GLN 144 HE21 GLN 144 -5.084 -8.104 0.022 65 HE22 GLN 144 HE22 GLN 144 -5.782 -8.655 -1.462 66 H LYS 145 HN LYS 145 -3.555 -2.675 2.878 67 HA LYS 145 HA LYS 145 -2.435 -0.700 1.248 68 HB2 LYS 145 HB2 LYS 145 -2.570 -0.597 3.725 69 HB3 LYS 145 HB1 LYS 145 -1.316 -1.827 3.821 70 HG2 LYS 145 HG2 LYS 145 -0.312 0.324 4.166 71 HG3 LYS 145 HG1 LYS 145 0.205 -0.300 2.602 72 HD2 LYS 145 HD2 LYS 145 -1.386 1.097 1.467 73 HD3 LYS 145 HD1 LYS 145 -2.060 1.642 3.001 74 HE2 LYS 145 HE2 LYS 145 -0.513 3.280 1.970 75 HE3 LYS 145 HE1 LYS 145 -0.015 2.755 3.577 76 HZ1 LYS 145 HZ1 LYS 145 1.173 1.690 1.103 77 H SER 146 HN SER 146 -0.776 -0.698 -0.115 78 HA SER 146 HA SER 146 0.569 -3.091 -0.804 79 HB2 SER 146 HB2 SER 146 1.927 -1.478 -2.245 80 HB3 SER 146 HB1 SER 146 0.193 -1.517 -2.542 81 HG SER 146 HG SER 146 1.508 0.606 -2.159 82 H MET 147 HN MET 147 2.250 -3.966 0.201 83 HA MET 147 HA MET 147 3.642 -2.671 2.307 84 HB2 MET 147 HB2 MET 147 4.238 -5.204 0.776 85 HB3 MET 147 HB1 MET 147 5.174 -4.665 2.163 86 HG2 MET 147 HG2 MET 147 2.257 -5.402 2.136 87 HG3 MET 147 HG1 MET 147 3.579 -6.334 2.838 88 HE1 MET 147 HE1 MET 147 5.044 -5.457 4.918 89 HE2 MET 147 HE2 MET 147 4.714 -3.949 5.772 90 HE3 MET 147 HE3 MET 147 5.324 -3.910 4.119 91 H THR 148 HN THR 148 4.030 -2.762 -1.078 92 HA THR 148 HA THR 148 6.808 -2.097 -1.122 93 HB THR 148 HB THR 148 6.256 -1.535 -3.568 94 HG1 THR 148 HG1 THR 148 4.246 -1.856 -4.226 95 HG21 THR 148 HG21 THR 148 5.727 -4.313 -2.503 96 HG22 THR 148 HG22 THR 148 7.309 -3.630 -2.881 97 HG23 THR 148 HG23 THR 148 6.141 -3.914 -4.171 98 H GLU 149 HN GLU 149 4.371 -0.367 0.029 99 HA GLU 149 HA GLU 149 4.932 2.179 -1.151 100 HB2 GLU 149 HB2 GLU 149 3.455 3.127 0.453 101 HB3 GLU 149 HB1 GLU 149 2.760 1.574 0.014 102 HG2 GLU 149 HG2 GLU 149 3.624 0.580 2.050 103 HG3 GLU 149 HG1 GLU 149 4.404 2.099 2.480 104 H PHE 150 HN PHE 150 6.290 0.210 1.176 105 HA PHE 150 HA PHE 150 7.885 2.314 2.418 106 HB2 PHE 150 HB2 PHE 150 7.930 -0.672 2.922 107 HB3 PHE 150 HB1 PHE 150 8.714 0.563 3.897 108 HD1 PHE 150 HD1 PHE 150 7.160 2.321 4.990 109 HD2 PHE 150 HD2 PHE 150 5.820 -1.422 3.475 110 HE1 PHE 150 HE1 PHE 150 5.156 2.470 6.408 111 HE2 PHE 150 HE2 PHE 150 3.811 -1.279 4.889 112 HZ PHE 150 HZ PHE 150 3.476 0.670 6.356 113 H TYR 151 HN TYR 151 9.876 2.801 1.707 114 HA TYR 151 HA TYR 151 11.737 2.823 0.395 115 HB2 TYR 151 HB2 TYR 151 12.226 0.899 1.988 116 HB3 TYR 151 HB1 TYR 151 11.716 -0.188 0.703 117 HD1 TYR 151 HD1 TYR 151 14.128 2.580 1.374 118 HD2 TYR 151 HD2 TYR 151 13.319 -0.983 -0.801 119 HE1 TYR 151 HE1 TYR 151 16.413 2.610 0.492 120 HE2 TYR 151 HE2 TYR 151 15.605 -0.963 -1.691 121 HH TYR 151 HH TYR 151 18.056 1.001 -0.431 122 H HIS 152 HN HIS 152 9.873 3.322 -1.185 123 HA HIS 152 HA HIS 152 9.332 1.283 -3.154 124 HB2 HIS 152 HB2 HIS 152 7.653 3.016 -2.388 125 HB3 HIS 152 HB1 HIS 152 8.591 4.209 -3.280 126 HD1 HIS 152 HD1 HIS 152 6.348 1.247 -3.768 127 HD2 HIS 152 HD2 HIS 152 8.241 4.167 -6.046 128 HE1 HIS 152 HE1 HIS 152 5.351 1.062 -6.072 129 HE2 HIS 152 HE2 HIS 152 6.572 2.779 -7.454
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