NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
574280 | 2mg9 | 19593 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -13.762 0.821 -1.886 2 H2 GLY 1 2HT GLY 1 -12.982 1.823 -2.995 3 H3 GLY 1 3HT GLY 1 -13.841 2.500 -1.731 4 HA2 GLY 1 1HA GLY 1 -12.306 1.597 -0.139 5 HA3 GLY 1 2HA GLY 1 -11.387 0.892 -1.465 6 H THR 2 H THR 2 -9.543 2.089 -0.906 7 HA THR 2 HA THR 2 -9.345 4.588 -2.156 8 HB THR 2 HB THR 2 -10.266 5.452 -0.074 9 HG1 THR 2 1HG THR 2 -7.660 6.054 0.519 10 HG21 THR 2 3HG2 THR 2 -9.811 3.584 1.424 11 HG22 THR 2 1HG2 THR 2 -9.177 5.077 2.116 12 HG23 THR 2 2HG2 THR 2 -8.081 3.920 1.356 13 H ASN 3 H ASN 3 -7.190 4.997 -2.658 14 HA ASN 3 HA ASN 3 -5.473 2.660 -2.294 15 HB2 ASN 3 2HB ASN 3 -5.979 3.615 -4.598 16 HB3 ASN 3 1HB ASN 3 -5.110 5.043 -4.112 17 HD21 ASN 3 1HD2 ASN 3 -4.588 3.129 -6.278 18 HD22 ASN 3 2HD2 ASN 3 -2.979 2.577 -6.029 19 H GLU 4 H GLU 4 -4.195 2.744 -0.545 20 HA GLU 4 HA GLU 4 -3.294 5.155 0.685 21 HB2 GLU 4 2HB GLU 4 -2.474 2.279 1.088 22 HB3 GLU 4 1HB GLU 4 -1.795 3.603 2.007 23 HG2 GLU 4 2HG GLU 4 -3.479 2.449 3.284 24 HG3 GLU 4 1HG GLU 4 -4.007 4.085 2.930 25 H CYS 5 H CYS 5 -2.004 3.021 -1.720 26 HA CYS 5 HA CYS 5 0.751 3.491 -1.419 27 HB2 CYS 5 2HB CYS 5 -0.776 2.811 -3.909 28 HB3 CYS 5 1HB CYS 5 0.936 2.546 -3.628 29 H LEU 6 H LEU 6 -1.737 5.176 -2.966 30 HA LEU 6 HA LEU 6 -0.350 6.975 -4.621 31 HB2 LEU 6 2HB LEU 6 -2.911 7.214 -3.105 32 HB3 LEU 6 1HB LEU 6 -2.355 8.481 -4.191 33 HG LEU 6 HG LEU 6 -3.157 5.648 -4.848 34 HD11 LEU 6 1HD1 LEU 6 -4.407 8.296 -5.554 35 HD12 LEU 6 2HD1 LEU 6 -4.995 7.192 -4.319 36 HD13 LEU 6 3HD1 LEU 6 -5.006 6.702 -6.015 37 HD21 LEU 6 3HD2 LEU 6 -2.880 6.310 -7.184 38 HD22 LEU 6 1HD2 LEU 6 -1.353 6.335 -6.308 39 HD23 LEU 6 2HD2 LEU 6 -2.191 7.846 -6.661 40 H ASP 7 H ASP 7 -0.961 7.026 -1.178 41 HA ASP 7 HA ASP 7 0.349 9.651 -0.978 42 HB2 ASP 7 2HB ASP 7 -1.923 9.566 -0.036 43 HB3 ASP 7 1HB ASP 7 -1.428 8.249 1.021 44 H ASN 8 H ASN 8 2.457 9.345 -0.710 45 HA ASN 8 HA ASN 8 4.444 8.862 0.243 46 HB2 ASN 8 2HB ASN 8 2.730 8.120 2.604 47 HB3 ASN 8 1HB ASN 8 4.489 8.066 2.598 48 HD21 ASN 8 1HD2 ASN 8 1.656 10.138 2.598 49 HD22 ASN 8 2HD2 ASN 8 2.522 11.582 2.941 50 H ASN 9 H ASN 9 3.025 6.921 -1.226 51 HA ASN 9 HA ASN 9 3.124 4.750 -1.958 52 HB2 ASN 9 2HB ASN 9 5.585 5.325 -1.985 53 HB3 ASN 9 1HB ASN 9 5.720 4.640 -0.373 54 HD21 ASN 9 1HD2 ASN 9 7.142 3.069 -0.943 55 HD22 ASN 9 2HD2 ASN 9 6.747 1.713 -1.918 56 H GLY 10 H GLY 10 1.711 5.340 0.472 57 HA2 GLY 10 2HA GLY 10 0.419 4.140 1.936 58 HA3 GLY 10 1HA GLY 10 1.189 2.675 1.351 59 H GLY 11 H GLY 11 3.633 4.676 2.236 60 HA2 GLY 11 2HA GLY 11 4.814 4.948 4.247 61 HA3 GLY 11 1HA GLY 11 3.624 3.929 5.053 62 H CYS 12 H CYS 12 4.442 2.530 2.170 63 HA CYS 12 HA CYS 12 5.813 0.390 3.467 64 HB2 CYS 12 2HB CYS 12 5.201 0.853 0.545 65 HB3 CYS 12 1HB CYS 12 5.722 -0.665 1.262 66 H SER 13 H SER 13 7.923 -0.160 3.261 67 HA SER 13 HA SER 13 9.739 1.863 2.367 68 HB2 SER 13 2HB SER 13 10.258 -0.864 3.576 69 HB3 SER 13 1HB SER 13 11.477 0.386 3.304 70 HG SER 13 HG SER 13 9.232 0.494 5.041 71 H HIS 14 H HIS 14 8.199 -0.725 0.976 72 HA HIS 14 HA HIS 14 9.940 -0.518 -1.335 73 HB2 HIS 14 2HB HIS 14 8.952 -3.134 -0.166 74 HB3 HIS 14 1HB HIS 14 9.492 -2.995 -1.829 75 HD1 HIS 14 1HD HIS 14 12.058 -2.350 -2.164 76 HD2 HIS 14 2HD HIS 14 10.970 -3.375 1.703 77 HE1 HIS 14 1HE HIS 14 14.205 -2.790 -0.960 78 HE2 HIS 14 2HE HIS 14 13.477 -2.918 1.424 79 H VAL 15 H VAL 15 8.399 -2.171 -3.059 80 HA VAL 15 HA VAL 15 6.536 -0.293 -3.917 81 HB VAL 15 HB VAL 15 6.470 -3.262 -4.515 82 HG11 VAL 15 1HG1 VAL 15 5.392 -0.916 -6.080 83 HG12 VAL 15 2HG1 VAL 15 4.439 -2.118 -5.214 84 HG13 VAL 15 3HG1 VAL 15 5.392 -2.593 -6.620 85 HG21 VAL 15 3HG2 VAL 15 7.851 -2.734 -6.475 86 HG22 VAL 15 1HG2 VAL 15 8.686 -2.320 -4.978 87 HG23 VAL 15 2HG2 VAL 15 7.948 -1.052 -5.954 88 H CYS 16 H CYS 16 4.543 0.204 -3.315 89 HA CYS 16 HA CYS 16 3.175 -1.365 -1.315 90 HB2 CYS 16 2HB CYS 16 3.220 1.107 -1.158 91 HB3 CYS 16 1HB CYS 16 2.421 1.201 -2.720 92 H ASN 17 H ASN 17 1.141 -2.265 -1.630 93 HA ASN 17 HA ASN 17 0.160 -2.556 -4.379 94 HB2 ASN 17 2HB ASN 17 1.372 -4.606 -3.798 95 HB3 ASN 17 1HB ASN 17 0.484 -4.737 -2.287 96 HD21 ASN 17 1HD2 ASN 17 -0.302 -6.798 -2.805 97 HD22 ASN 17 2HD2 ASN 17 -1.483 -7.055 -4.019 98 H ASP 18 H ASP 18 -1.747 -1.548 -4.298 99 HA ASP 18 HA ASP 18 -3.125 -1.252 -1.811 100 HB2 ASP 18 2HB ASP 18 -3.246 0.608 -3.339 101 HB3 ASP 18 1HB ASP 18 -3.933 -0.414 -4.596 102 H LEU 19 H LEU 19 -4.517 -2.482 -0.971 103 HA LEU 19 HA LEU 19 -5.716 -4.613 -2.559 104 HB2 LEU 19 2HB LEU 19 -5.726 -4.253 0.435 105 HB3 LEU 19 1HB LEU 19 -6.279 -5.643 -0.451 106 HG LEU 19 HG LEU 19 -3.416 -4.745 -0.221 107 HD11 LEU 19 1HD1 LEU 19 -4.241 -5.675 1.828 108 HD12 LEU 19 2HD1 LEU 19 -3.191 -6.865 1.043 109 HD13 LEU 19 3HD1 LEU 19 -4.941 -7.036 0.963 110 HD21 LEU 19 3HD2 LEU 19 -4.589 -7.173 -1.582 111 HD22 LEU 19 1HD2 LEU 19 -2.874 -6.827 -1.366 112 HD23 LEU 19 2HD2 LEU 19 -3.858 -5.788 -2.395 113 H LYS 20 H LYS 20 -8.051 -5.079 -1.893 114 HA LYS 20 HA LYS 20 -9.528 -2.691 -2.291 115 HB2 LYS 20 2HB LYS 20 -10.679 -5.309 -1.299 116 HB3 LYS 20 1HB LYS 20 -11.536 -4.026 -2.134 117 HG2 LYS 20 2HG LYS 20 -9.575 -6.010 -3.255 118 HG3 LYS 20 1HG LYS 20 -11.255 -5.757 -3.703 119 HD2 LYS 20 2HD LYS 20 -8.971 -3.853 -4.205 120 HD3 LYS 20 1HD LYS 20 -9.716 -4.891 -5.409 121 HE2 LYS 20 2HE LYS 20 -11.837 -3.679 -5.116 122 HE3 LYS 20 1HE LYS 20 -11.064 -2.641 -3.923 123 HZ1 LYS 20 3HZ LYS 20 -11.144 -1.606 -6.093 124 HZ2 LYS 20 1HZ LYS 20 -10.259 -2.870 -6.767 125 HZ3 LYS 20 2HZ LYS 20 -9.547 -1.858 -5.624 126 H ILE 21 H ILE 21 -9.035 -4.792 0.453 127 HA ILE 21 HA ILE 21 -9.975 -2.628 2.159 128 HB ILE 21 HB ILE 21 -11.339 -4.529 2.548 129 HG12 ILE 21 2HG1 ILE 21 -10.826 -5.155 4.932 130 HG13 ILE 21 1HG1 ILE 21 -9.293 -4.313 4.756 131 HG21 ILE 21 1HG2 ILE 21 -8.869 -6.207 2.804 132 HG22 ILE 21 2HG2 ILE 21 -10.112 -6.289 1.554 133 HG23 ILE 21 3HG2 ILE 21 -10.496 -6.752 3.211 134 HD11 ILE 21 3HD1 ILE 21 -12.020 -3.065 4.478 135 HD12 ILE 21 1HD1 ILE 21 -10.475 -2.226 4.340 136 HD13 ILE 21 2HD1 ILE 21 -10.959 -2.937 5.880 137 H GLY 22 H GLY 22 -8.384 -1.486 2.868 138 HA2 GLY 22 2HA GLY 22 -6.426 -0.991 4.013 139 HA3 GLY 22 1HA GLY 22 -6.102 -2.721 4.126 140 H TYR 23 H TYR 23 -3.981 -2.632 3.430 141 HA TYR 23 HA TYR 23 -3.619 -2.570 0.618 142 HB2 TYR 23 2HB TYR 23 -1.939 -0.833 0.493 143 HB3 TYR 23 1HB TYR 23 -3.371 -0.128 1.221 144 HD1 TYR 23 1HD TYR 23 -3.373 0.221 3.763 145 HD2 TYR 23 2HD TYR 23 0.124 -0.781 1.566 146 HE1 TYR 23 1HE TYR 23 -1.973 1.046 5.611 147 HE2 TYR 23 2HE TYR 23 1.519 0.028 3.401 148 HH TYR 23 HH TYR 23 1.358 1.562 5.203 149 H GLU 24 H GLU 24 -1.111 -2.934 0.264 150 HA GLU 24 HA GLU 24 -0.057 -4.630 2.377 151 HB2 GLU 24 2HB GLU 24 -1.351 -6.056 0.960 152 HB3 GLU 24 1HB GLU 24 -0.656 -5.352 -0.483 153 HG2 GLU 24 2HG GLU 24 1.458 -6.374 0.007 154 HG3 GLU 24 1HG GLU 24 0.852 -7.003 1.535 155 H CYS 25 H CYS 25 2.198 -4.744 2.295 156 HA CYS 25 HA CYS 25 3.484 -2.968 0.348 157 HB2 CYS 25 2HB CYS 25 4.463 -3.847 3.069 158 HB3 CYS 25 1HB CYS 25 5.286 -2.737 1.982 159 H LEU 26 H LEU 26 4.847 -3.908 -1.056 160 HA LEU 26 HA LEU 26 5.620 -6.696 -0.551 161 HB2 LEU 26 2HB LEU 26 5.190 -5.262 -3.180 162 HB3 LEU 26 1HB LEU 26 5.729 -6.921 -3.022 163 HG LEU 26 HG LEU 26 3.048 -5.832 -2.196 164 HD11 LEU 26 1HD1 LEU 26 2.193 -7.187 -4.057 165 HD12 LEU 26 2HD1 LEU 26 3.845 -7.629 -4.487 166 HD13 LEU 26 3HD1 LEU 26 3.319 -5.950 -4.616 167 HD21 LEU 26 3HD2 LEU 26 2.440 -8.184 -1.828 168 HD22 LEU 26 1HD2 LEU 26 3.737 -7.667 -0.753 169 HD23 LEU 26 2HD2 LEU 26 4.105 -8.660 -2.162 170 HN1 NH2 27 1H LEU 26 6.946 -4.952 -3.198 171 HN2 NH2 27 2H LEU 26 8.517 -4.696 -2.540 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -11.917 5.407 -4.926 2 H2 GLY 1 2HT GLY 1 -12.677 4.033 -5.558 3 H3 GLY 1 3HT GLY 1 -10.997 4.069 -5.406 4 HA2 GLY 1 1HA GLY 1 -12.964 4.108 -3.213 5 HA3 GLY 1 2HA GLY 1 -11.957 2.740 -3.680 6 H THR 2 H THR 2 -10.590 2.518 -1.970 7 HA THR 2 HA THR 2 -9.191 4.941 -1.181 8 HB THR 2 HB THR 2 -10.589 4.358 0.672 9 HG1 THR 2 1HG THR 2 -8.187 3.268 1.621 10 HG21 THR 2 3HG2 THR 2 -10.492 2.180 1.827 11 HG22 THR 2 1HG2 THR 2 -9.377 1.589 0.595 12 HG23 THR 2 2HG2 THR 2 -11.038 1.996 0.156 13 H ASN 3 H ASN 3 -7.440 4.790 -2.376 14 HA ASN 3 HA ASN 3 -5.764 2.423 -2.123 15 HB2 ASN 3 2HB ASN 3 -5.907 3.292 -4.418 16 HB3 ASN 3 1HB ASN 3 -5.448 4.893 -3.862 17 HD21 ASN 3 1HD2 ASN 3 -3.735 4.753 -5.442 18 HD22 ASN 3 2HD2 ASN 3 -2.301 3.884 -5.068 19 H GLU 4 H GLU 4 -4.666 2.378 -0.358 20 HA GLU 4 HA GLU 4 -3.995 4.678 1.138 21 HB2 GLU 4 2HB GLU 4 -3.152 1.797 1.399 22 HB3 GLU 4 1HB GLU 4 -2.711 3.039 2.548 23 HG2 GLU 4 2HG GLU 4 -4.547 1.761 3.427 24 HG3 GLU 4 1HG GLU 4 -5.099 3.383 3.061 25 H CYS 5 H CYS 5 -2.398 2.765 -1.265 26 HA CYS 5 HA CYS 5 0.300 3.433 -0.721 27 HB2 CYS 5 2HB CYS 5 -1.048 2.580 -3.265 28 HB3 CYS 5 1HB CYS 5 0.685 2.640 -3.003 29 H LEU 6 H LEU 6 -2.234 4.990 -2.220 30 HA LEU 6 HA LEU 6 -1.019 6.833 -3.976 31 HB2 LEU 6 2HB LEU 6 -3.521 6.222 -3.453 32 HB3 LEU 6 1HB LEU 6 -3.408 7.511 -2.296 33 HG LEU 6 HG LEU 6 -2.983 7.883 -5.270 34 HD11 LEU 6 1HD1 LEU 6 -5.205 8.904 -5.267 35 HD12 LEU 6 2HD1 LEU 6 -5.406 8.446 -3.575 36 HD13 LEU 6 3HD1 LEU 6 -5.259 7.201 -4.815 37 HD21 LEU 6 3HD2 LEU 6 -1.887 9.595 -3.883 38 HD22 LEU 6 1HD2 LEU 6 -3.418 9.909 -3.067 39 HD23 LEU 6 2HD2 LEU 6 -3.246 10.268 -4.787 40 H ASP 7 H ASP 7 -1.459 6.799 -0.528 41 HA ASP 7 HA ASP 7 -0.384 9.508 -0.256 42 HB2 ASP 7 2HB ASP 7 -2.398 9.074 1.042 43 HB3 ASP 7 1HB ASP 7 -1.643 7.673 1.789 44 H ASN 8 H ASN 8 1.684 9.397 -0.520 45 HA ASN 8 HA ASN 8 3.896 9.004 -0.228 46 HB2 ASN 8 2HB ASN 8 3.022 8.467 2.597 47 HB3 ASN 8 1HB ASN 8 4.685 8.652 2.042 48 HD21 ASN 8 1HD2 ASN 8 5.421 10.714 1.490 49 HD22 ASN 8 2HD2 ASN 8 4.539 12.154 1.822 50 H ASN 9 H ASN 9 2.546 6.921 -1.213 51 HA ASN 9 HA ASN 9 2.884 4.784 -1.968 52 HB2 ASN 9 2HB ASN 9 5.312 5.610 -2.050 53 HB3 ASN 9 1HB ASN 9 5.543 4.811 -0.501 54 HD21 ASN 9 1HD2 ASN 9 7.002 3.289 -1.187 55 HD22 ASN 9 2HD2 ASN 9 6.613 2.029 -2.283 56 H GLY 10 H GLY 10 1.689 5.367 0.645 57 HA2 GLY 10 2HA GLY 10 0.603 4.113 2.244 58 HA3 GLY 10 1HA GLY 10 1.297 2.673 1.516 59 H GLY 11 H GLY 11 3.756 4.813 2.152 60 HA2 GLY 11 2HA GLY 11 5.271 5.016 3.862 61 HA3 GLY 11 1HA GLY 11 4.192 4.087 4.898 62 H CYS 12 H CYS 12 4.730 2.623 1.885 63 HA CYS 12 HA CYS 12 6.266 0.545 3.144 64 HB2 CYS 12 2HB CYS 12 5.290 0.830 0.291 65 HB3 CYS 12 1HB CYS 12 5.966 -0.630 1.000 66 H SER 13 H SER 13 8.400 0.144 2.776 67 HA SER 13 HA SER 13 9.933 2.228 1.539 68 HB2 SER 13 2HB SER 13 11.850 0.800 2.422 69 HB3 SER 13 1HB SER 13 10.745 1.442 3.639 70 HG SER 13 HG SER 13 10.075 -0.502 4.084 71 H HIS 14 H HIS 14 8.415 -0.475 0.547 72 HA HIS 14 HA HIS 14 10.139 -0.760 -1.809 73 HB2 HIS 14 2HB HIS 14 8.683 -3.021 -0.391 74 HB3 HIS 14 1HB HIS 14 9.551 -3.192 -1.901 75 HD1 HIS 14 1HD HIS 14 12.165 -3.346 -1.756 76 HD2 HIS 14 2HD HIS 14 10.282 -2.840 1.914 77 HE1 HIS 14 1HE HIS 14 13.913 -3.764 -0.038 78 HE2 HIS 14 2HE HIS 14 12.826 -3.075 2.105 79 H VAL 15 H VAL 15 8.437 -2.413 -3.301 80 HA VAL 15 HA VAL 15 6.510 -0.660 -4.311 81 HB VAL 15 HB VAL 15 6.427 -3.698 -4.453 82 HG11 VAL 15 1HG1 VAL 15 5.208 -1.643 -6.290 83 HG12 VAL 15 2HG1 VAL 15 4.338 -2.681 -5.163 84 HG13 VAL 15 3HG1 VAL 15 5.187 -3.390 -6.538 85 HG21 VAL 15 3HG2 VAL 15 8.586 -2.866 -5.223 86 HG22 VAL 15 1HG2 VAL 15 7.779 -1.735 -6.308 87 HG23 VAL 15 2HG2 VAL 15 7.638 -3.473 -6.580 88 H CYS 16 H CYS 16 4.481 -0.144 -3.674 89 HA CYS 16 HA CYS 16 3.402 -1.453 -1.307 90 HB2 CYS 16 2HB CYS 16 3.526 1.071 -1.472 91 HB3 CYS 16 1HB CYS 16 2.394 0.966 -2.816 92 H ASN 17 H ASN 17 1.352 -2.454 -1.374 93 HA ASN 17 HA ASN 17 0.239 -2.802 -4.060 94 HB2 ASN 17 2HB ASN 17 1.423 -4.879 -3.393 95 HB3 ASN 17 1HB ASN 17 0.421 -4.964 -1.947 96 HD21 ASN 17 1HD2 ASN 17 -0.530 -6.987 -2.531 97 HD22 ASN 17 2HD2 ASN 17 -1.622 -7.087 -3.850 98 H ASP 18 H ASP 18 -1.538 -1.740 -4.031 99 HA ASP 18 HA ASP 18 -3.050 -1.334 -1.660 100 HB2 ASP 18 2HB ASP 18 -3.083 0.468 -3.139 101 HB3 ASP 18 1HB ASP 18 -3.462 -0.515 -4.536 102 H LEU 19 H LEU 19 -4.239 -2.801 -0.806 103 HA LEU 19 HA LEU 19 -5.555 -4.820 -2.454 104 HB2 LEU 19 2HB LEU 19 -5.502 -4.629 0.559 105 HB3 LEU 19 1HB LEU 19 -6.033 -5.955 -0.417 106 HG LEU 19 HG LEU 19 -3.163 -5.055 -0.412 107 HD11 LEU 19 1HD1 LEU 19 -4.500 -7.312 1.062 108 HD12 LEU 19 2HD1 LEU 19 -3.757 -5.881 1.780 109 HD13 LEU 19 3HD1 LEU 19 -2.759 -7.064 0.933 110 HD21 LEU 19 3HD2 LEU 19 -4.527 -7.527 -1.480 111 HD22 LEU 19 1HD2 LEU 19 -2.792 -7.215 -1.493 112 HD23 LEU 19 2HD2 LEU 19 -3.874 -6.202 -2.445 113 H LYS 20 H LYS 20 -7.830 -5.364 -1.669 114 HA LYS 20 HA LYS 20 -9.435 -3.153 -2.254 115 HB2 LYS 20 2HB LYS 20 -10.048 -5.570 -2.607 116 HB3 LYS 20 1HB LYS 20 -10.319 -5.693 -0.881 117 HG2 LYS 20 2HG LYS 20 -12.388 -5.421 -2.211 118 HG3 LYS 20 1HG LYS 20 -12.156 -4.164 -0.992 119 HD2 LYS 20 2HD LYS 20 -11.430 -2.592 -2.635 120 HD3 LYS 20 1HD LYS 20 -11.348 -3.837 -3.882 121 HE2 LYS 20 2HE LYS 20 -13.320 -2.325 -4.038 122 HE3 LYS 20 1HE LYS 20 -13.724 -4.033 -3.922 123 HZ1 LYS 20 3HZ LYS 20 -14.253 -3.729 -1.612 124 HZ2 LYS 20 1HZ LYS 20 -15.131 -2.640 -2.524 125 HZ3 LYS 20 2HZ LYS 20 -13.805 -2.112 -1.642 126 H ILE 21 H ILE 21 -8.896 -4.791 0.804 127 HA ILE 21 HA ILE 21 -9.713 -2.299 2.052 128 HB ILE 21 HB ILE 21 -10.219 -3.541 4.144 129 HG12 ILE 21 2HG1 ILE 21 -10.086 -6.048 2.465 130 HG13 ILE 21 1HG1 ILE 21 -8.830 -5.562 3.603 131 HG21 ILE 21 1HG2 ILE 21 -12.382 -4.472 3.436 132 HG22 ILE 21 2HG2 ILE 21 -11.849 -4.381 1.757 133 HG23 ILE 21 3HG2 ILE 21 -12.038 -2.905 2.703 134 HD11 ILE 21 3HD1 ILE 21 -10.430 -5.671 5.397 135 HD12 ILE 21 1HD1 ILE 21 -10.297 -7.226 4.569 136 HD13 ILE 21 2HD1 ILE 21 -11.690 -6.171 4.265 137 H GLY 22 H GLY 22 -8.346 -1.411 3.386 138 HA2 GLY 22 2HA GLY 22 -6.221 -0.844 4.107 139 HA3 GLY 22 1HA GLY 22 -5.980 -2.566 4.378 140 H TYR 23 H TYR 23 -3.899 -2.712 3.587 141 HA TYR 23 HA TYR 23 -3.469 -2.927 0.801 142 HB2 TYR 23 2HB TYR 23 -1.902 -1.116 0.477 143 HB3 TYR 23 1HB TYR 23 -3.366 -0.399 1.133 144 HD1 TYR 23 2HD TYR 23 -3.369 -0.115 3.782 145 HD2 TYR 23 1HD TYR 23 0.138 -0.556 1.417 146 HE1 TYR 23 2HE TYR 23 -2.035 0.887 5.581 147 HE2 TYR 23 1HE TYR 23 1.476 0.433 3.214 148 HH TYR 23 HH TYR 23 1.109 1.951 5.104 149 H GLU 24 H GLU 24 -0.988 -3.367 0.520 150 HA GLU 24 HA GLU 24 0.252 -4.208 3.000 151 HB2 GLU 24 2HB GLU 24 0.791 -6.402 2.185 152 HB3 GLU 24 1HB GLU 24 -0.945 -6.193 2.041 153 HG2 GLU 24 2HG GLU 24 -0.718 -5.761 -0.329 154 HG3 GLU 24 1HG GLU 24 1.037 -5.890 -0.190 155 H CYS 25 H CYS 25 2.563 -4.681 2.606 156 HA CYS 25 HA CYS 25 3.603 -3.092 0.366 157 HB2 CYS 25 2HB CYS 25 5.004 -3.859 2.949 158 HB3 CYS 25 1HB CYS 25 5.591 -2.767 1.703 159 H LEU 26 H LEU 26 4.940 -4.120 -1.076 160 HA LEU 26 HA LEU 26 5.579 -6.944 -0.534 161 HB2 LEU 26 2HB LEU 26 5.021 -5.615 -3.199 162 HB3 LEU 26 1HB LEU 26 5.541 -7.273 -2.999 163 HG LEU 26 HG LEU 26 2.928 -6.092 -2.094 164 HD11 LEU 26 1HD1 LEU 26 3.586 -8.022 -4.319 165 HD12 LEU 26 2HD1 LEU 26 3.080 -6.343 -4.510 166 HD13 LEU 26 3HD1 LEU 26 1.963 -7.530 -3.836 167 HD21 LEU 26 3HD2 LEU 26 2.297 -8.398 -1.558 168 HD22 LEU 26 1HD2 LEU 26 3.666 -7.867 -0.587 169 HD23 LEU 26 2HD2 LEU 26 3.927 -8.941 -1.962 170 HN1 NH2 27 1H LEU 26 6.700 -5.078 -3.244 171 HN2 NH2 27 2H LEU 26 8.356 -5.016 -2.762 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -13.415 3.465 -1.775 2 H2 GLY 1 2HT GLY 1 -13.426 4.070 -0.211 3 H3 GLY 1 3HT GLY 1 -14.196 2.591 -0.566 4 HA2 GLY 1 1HA GLY 1 -12.070 2.241 0.524 5 HA3 GLY 1 2HA GLY 1 -12.101 1.593 -1.113 6 H THR 2 H THR 2 -9.969 2.803 0.767 7 HA THR 2 HA THR 2 -9.126 5.161 -0.673 8 HB THR 2 HB THR 2 -7.346 4.913 1.234 9 HG1 THR 2 1HG THR 2 -7.739 3.095 2.206 10 HG21 THR 2 3HG2 THR 2 -9.022 6.700 1.099 11 HG22 THR 2 1HG2 THR 2 -8.847 6.104 2.750 12 HG23 THR 2 2HG2 THR 2 -10.239 5.609 1.777 13 H ASN 3 H ASN 3 -7.252 5.244 -1.892 14 HA ASN 3 HA ASN 3 -5.756 2.743 -2.213 15 HB2 ASN 3 2HB ASN 3 -6.559 3.888 -4.308 16 HB3 ASN 3 1HB ASN 3 -5.580 5.278 -3.876 17 HD21 ASN 3 1HD2 ASN 3 -5.524 3.410 -6.191 18 HD22 ASN 3 2HD2 ASN 3 -3.888 2.860 -6.274 19 H GLU 4 H GLU 4 -4.638 2.763 -0.384 20 HA GLU 4 HA GLU 4 -3.408 4.922 0.846 21 HB2 GLU 4 2HB GLU 4 -2.728 1.998 1.013 22 HB3 GLU 4 1HB GLU 4 -2.094 3.226 2.084 23 HG2 GLU 4 2HG GLU 4 -3.824 2.127 3.245 24 HG3 GLU 4 1HG GLU 4 -4.455 3.697 2.777 25 H CYS 5 H CYS 5 -2.215 2.757 -1.614 26 HA CYS 5 HA CYS 5 0.521 3.265 -1.222 27 HB2 CYS 5 2HB CYS 5 -0.924 2.273 -3.654 28 HB3 CYS 5 1HB CYS 5 0.814 2.261 -3.422 29 H LEU 6 H LEU 6 -1.868 4.922 -3.041 30 HA LEU 6 HA LEU 6 -0.145 6.589 -4.566 31 HB2 LEU 6 2HB LEU 6 -2.932 7.020 -3.566 32 HB3 LEU 6 1HB LEU 6 -2.097 8.190 -4.555 33 HG LEU 6 HG LEU 6 -2.896 5.373 -5.332 34 HD11 LEU 6 1HD1 LEU 6 -4.391 6.480 -6.912 35 HD12 LEU 6 2HD1 LEU 6 -3.890 8.051 -6.285 36 HD13 LEU 6 3HD1 LEU 6 -4.762 6.925 -5.245 37 HD21 LEU 6 3HD2 LEU 6 -1.464 7.479 -6.962 38 HD22 LEU 6 1HD2 LEU 6 -2.106 5.962 -7.592 39 HD23 LEU 6 2HD2 LEU 6 -0.794 5.937 -6.422 40 H ASP 7 H ASP 7 -1.214 6.715 -1.322 41 HA ASP 7 HA ASP 7 -0.099 9.398 -0.921 42 HB2 ASP 7 2HB ASP 7 -2.321 8.973 0.068 43 HB3 ASP 7 1HB ASP 7 -1.632 7.646 0.999 44 H ASN 8 H ASN 8 2.054 9.213 -0.822 45 HA ASN 8 HA ASN 8 4.114 8.905 0.117 46 HB2 ASN 8 2HB ASN 8 2.425 8.072 2.469 47 HB3 ASN 8 1HB ASN 8 4.183 8.150 2.494 48 HD21 ASN 8 1HD2 ASN 8 3.882 9.669 4.197 49 HD22 ASN 8 2HD2 ASN 8 3.536 11.333 3.876 50 H ASN 9 H ASN 9 2.817 6.821 -1.316 51 HA ASN 9 HA ASN 9 2.999 4.636 -1.979 52 HB2 ASN 9 2HB ASN 9 5.456 5.308 -1.995 53 HB3 ASN 9 1HB ASN 9 5.593 4.586 -0.396 54 HD21 ASN 9 1HD2 ASN 9 6.939 2.973 -0.896 55 HD22 ASN 9 2HD2 ASN 9 6.589 1.643 -1.925 56 H GLY 10 H GLY 10 1.530 5.209 0.403 57 HA2 GLY 10 2HA GLY 10 0.287 3.936 1.868 58 HA3 GLY 10 1HA GLY 10 1.256 2.537 1.428 59 H GLY 11 H GLY 11 3.286 5.010 2.180 60 HA2 GLY 11 2HA GLY 11 4.509 5.558 4.046 61 HA3 GLY 11 1HA GLY 11 3.422 4.573 5.025 62 H CYS 12 H CYS 12 4.641 3.099 2.160 63 HA CYS 12 HA CYS 12 6.389 1.458 3.821 64 HB2 CYS 12 2HB CYS 12 4.914 0.871 1.260 65 HB3 CYS 12 1HB CYS 12 6.029 -0.250 2.027 66 H SER 13 H SER 13 8.442 1.000 3.152 67 HA SER 13 HA SER 13 9.586 2.875 1.269 68 HB2 SER 13 2HB SER 13 10.612 2.536 3.506 69 HB3 SER 13 1HB SER 13 10.903 0.850 3.100 70 HG SER 13 HG SER 13 12.258 1.555 1.421 71 H HIS 14 H HIS 14 8.318 -0.192 1.171 72 HA HIS 14 HA HIS 14 9.987 -0.917 -1.125 73 HB2 HIS 14 2HB HIS 14 8.493 -2.737 0.772 74 HB3 HIS 14 1HB HIS 14 9.199 -3.286 -0.734 75 HD1 HIS 14 1HD HIS 14 9.967 -2.946 2.773 76 HD2 HIS 14 2HD HIS 14 12.122 -2.811 -0.781 77 HE1 HIS 14 1HE HIS 14 12.332 -3.375 3.405 78 HE2 HIS 14 2HE HIS 14 13.626 -2.975 1.299 79 H VAL 15 H VAL 15 8.339 -2.879 -2.236 80 HA VAL 15 HA VAL 15 6.658 -1.394 -3.884 81 HB VAL 15 HB VAL 15 6.515 -4.347 -3.270 82 HG11 VAL 15 1HG1 VAL 15 5.558 -4.572 -5.523 83 HG12 VAL 15 2HG1 VAL 15 5.552 -2.812 -5.674 84 HG13 VAL 15 3HG1 VAL 15 4.549 -3.595 -4.454 85 HG21 VAL 15 3HG2 VAL 15 7.971 -4.640 -5.251 86 HG22 VAL 15 1HG2 VAL 15 8.765 -3.760 -3.943 87 HG23 VAL 15 2HG2 VAL 15 8.145 -2.887 -5.341 88 H CYS 16 H CYS 16 4.766 -0.461 -3.355 89 HA CYS 16 HA CYS 16 3.123 -1.735 -1.303 90 HB2 CYS 16 2HB CYS 16 3.597 0.767 -1.117 91 HB3 CYS 16 1HB CYS 16 2.668 0.956 -2.596 92 H ASN 17 H ASN 17 1.379 -2.677 -1.784 93 HA ASN 17 HA ASN 17 0.385 -2.770 -4.556 94 HB2 ASN 17 2HB ASN 17 1.490 -4.857 -3.883 95 HB3 ASN 17 1HB ASN 17 0.497 -4.963 -2.442 96 HD21 ASN 17 1HD2 ASN 17 -0.340 -6.975 -3.008 97 HD22 ASN 17 2HD2 ASN 17 -1.462 -7.177 -4.296 98 H ASP 18 H ASP 18 -1.467 -1.674 -4.543 99 HA ASP 18 HA ASP 18 -2.941 -1.318 -2.106 100 HB2 ASP 18 2HB ASP 18 -2.871 0.621 -3.446 101 HB3 ASP 18 1HB ASP 18 -3.371 -0.262 -4.886 102 H LEU 19 H LEU 19 -4.354 -2.608 -1.376 103 HA LEU 19 HA LEU 19 -5.799 -4.404 -3.178 104 HB2 LEU 19 2HB LEU 19 -5.709 -4.429 -0.158 105 HB3 LEU 19 1HB LEU 19 -6.392 -5.644 -1.190 106 HG LEU 19 HG LEU 19 -3.449 -5.035 -0.960 107 HD11 LEU 19 1HD1 LEU 19 -5.096 -7.356 0.020 108 HD12 LEU 19 2HD1 LEU 19 -4.301 -6.133 1.014 109 HD13 LEU 19 3HD1 LEU 19 -3.338 -7.265 0.064 110 HD21 LEU 19 3HD2 LEU 19 -3.139 -7.019 -2.357 111 HD22 LEU 19 1HD2 LEU 19 -4.050 -5.776 -3.212 112 HD23 LEU 19 2HD2 LEU 19 -4.888 -7.172 -2.534 113 H LYS 20 H LYS 20 -8.171 -4.680 -2.502 114 HA LYS 20 HA LYS 20 -9.399 -2.121 -2.571 115 HB2 LYS 20 2HB LYS 20 -10.690 -4.792 -1.944 116 HB3 LYS 20 1HB LYS 20 -11.559 -3.305 -2.282 117 HG2 LYS 20 2HG LYS 20 -9.773 -4.790 -4.204 118 HG3 LYS 20 1HG LYS 20 -11.535 -4.744 -4.229 119 HD2 LYS 20 2HD LYS 20 -11.476 -2.347 -4.655 120 HD3 LYS 20 1HD LYS 20 -9.716 -2.360 -4.560 121 HE2 LYS 20 2HE LYS 20 -10.379 -2.345 -6.860 122 HE3 LYS 20 1HE LYS 20 -9.654 -3.901 -6.477 123 HZ1 LYS 20 3HZ LYS 20 -11.944 -4.803 -6.259 124 HZ2 LYS 20 1HZ LYS 20 -11.620 -4.210 -7.807 125 HZ3 LYS 20 2HZ LYS 20 -12.544 -3.309 -6.731 126 H ILE 21 H ILE 21 -9.056 -4.478 -0.026 127 HA ILE 21 HA ILE 21 -9.812 -2.377 1.861 128 HB ILE 21 HB ILE 21 -9.917 -5.388 2.253 129 HG12 ILE 21 2HG1 ILE 21 -11.763 -4.603 0.870 130 HG13 ILE 21 1HG1 ILE 21 -12.345 -5.048 2.471 131 HG21 ILE 21 1HG2 ILE 21 -10.652 -3.185 4.175 132 HG22 ILE 21 2HG2 ILE 21 -9.283 -4.288 4.327 133 HG23 ILE 21 3HG2 ILE 21 -10.935 -4.905 4.439 134 HD11 ILE 21 3HD1 ILE 21 -13.430 -3.023 1.684 135 HD12 ILE 21 1HD1 ILE 21 -11.863 -2.238 1.489 136 HD13 ILE 21 2HD1 ILE 21 -12.433 -2.684 3.096 137 H GLY 22 H GLY 22 -8.151 -1.451 2.564 138 HA2 GLY 22 2HA GLY 22 -6.141 -1.135 3.622 139 HA3 GLY 22 1HA GLY 22 -5.942 -2.886 3.698 140 H TYR 23 H TYR 23 -3.890 -2.919 2.998 141 HA TYR 23 HA TYR 23 -3.471 -2.920 0.212 142 HB2 TYR 23 2HB TYR 23 -1.598 -1.294 0.180 143 HB3 TYR 23 1HB TYR 23 -3.114 -0.511 0.585 144 HD1 TYR 23 2HD TYR 23 -3.542 -0.209 3.176 145 HD2 TYR 23 1HD TYR 23 0.284 -0.841 1.456 146 HE1 TYR 23 2HE TYR 23 -2.510 0.798 5.142 147 HE2 TYR 23 1HE TYR 23 1.340 0.176 3.427 148 HH TYR 23 HH TYR 23 0.751 1.742 5.152 149 H GLU 24 H GLU 24 -1.035 -3.453 -0.112 150 HA GLU 24 HA GLU 24 -0.104 -5.199 2.048 151 HB2 GLU 24 2HB GLU 24 -1.393 -6.541 0.509 152 HB3 GLU 24 1HB GLU 24 -0.575 -5.839 -0.869 153 HG2 GLU 24 2HG GLU 24 1.506 -6.897 -0.108 154 HG3 GLU 24 1HG GLU 24 0.604 -7.686 1.195 155 H CYS 25 H CYS 25 2.066 -4.758 2.371 156 HA CYS 25 HA CYS 25 3.433 -3.541 0.109 157 HB2 CYS 25 2HB CYS 25 4.040 -3.284 3.059 158 HB3 CYS 25 1HB CYS 25 5.044 -2.619 1.772 159 H LEU 26 H LEU 26 5.021 -4.501 -0.791 160 HA LEU 26 HA LEU 26 5.865 -7.077 0.314 161 HB2 LEU 26 2HB LEU 26 6.035 -6.085 -2.550 162 HB3 LEU 26 1HB LEU 26 6.580 -7.641 -1.989 163 HG LEU 26 HG LEU 26 4.151 -8.126 -1.398 164 HD11 LEU 26 1HD1 LEU 26 3.291 -5.858 -1.431 165 HD12 LEU 26 2HD1 LEU 26 2.443 -6.876 -2.595 166 HD13 LEU 26 3HD1 LEU 26 3.664 -5.729 -3.150 167 HD21 LEU 26 3HD2 LEU 26 5.241 -9.120 -3.301 168 HD22 LEU 26 1HD2 LEU 26 4.909 -7.687 -4.274 169 HD23 LEU 26 2HD2 LEU 26 3.579 -8.695 -3.710 170 HN1 NH2 27 1H LEU 26 7.538 -6.543 1.546 171 HN2 NH2 27 2H LEU 26 8.936 -5.675 1.022 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -13.082 4.036 -0.426 2 H2 GLY 1 2HT GLY 1 -13.985 2.785 -1.119 3 H3 GLY 1 3HT GLY 1 -13.139 3.865 -2.094 4 HA2 GLY 1 1HA GLY 1 -11.881 1.968 -0.230 5 HA3 GLY 1 2HA GLY 1 -11.998 1.779 -1.971 6 H THR 2 H THR 2 -10.454 3.405 0.647 7 HA THR 2 HA THR 2 -9.090 5.418 -0.710 8 HB THR 2 HB THR 2 -8.282 3.956 1.809 9 HG1 THR 2 1HG THR 2 -10.001 6.205 1.516 10 HG21 THR 2 3HG2 THR 2 -7.860 6.816 0.905 11 HG22 THR 2 1HG2 THR 2 -6.626 5.557 0.912 12 HG23 THR 2 2HG2 THR 2 -7.314 6.123 2.432 13 H ASN 3 H ASN 3 -7.144 5.398 -1.796 14 HA ASN 3 HA ASN 3 -5.717 2.847 -1.965 15 HB2 ASN 3 2HB ASN 3 -6.453 3.818 -4.144 16 HB3 ASN 3 1HB ASN 3 -5.517 5.263 -3.796 17 HD21 ASN 3 1HD2 ASN 3 -5.316 3.361 -6.012 18 HD22 ASN 3 2HD2 ASN 3 -3.689 2.795 -6.003 19 H GLU 4 H GLU 4 -4.511 2.896 -0.229 20 HA GLU 4 HA GLU 4 -3.333 5.133 0.931 21 HB2 GLU 4 2HB GLU 4 -2.654 2.208 1.181 22 HB3 GLU 4 1HB GLU 4 -1.987 3.469 2.196 23 HG2 GLU 4 2HG GLU 4 -3.723 2.352 3.397 24 HG3 GLU 4 1HG GLU 4 -4.277 3.970 3.004 25 H CYS 5 H CYS 5 -2.247 2.976 -1.573 26 HA CYS 5 HA CYS 5 0.520 3.425 -1.331 27 HB2 CYS 5 2HB CYS 5 -1.103 2.544 -3.693 28 HB3 CYS 5 1HB CYS 5 0.650 2.471 -3.584 29 H LEU 6 H LEU 6 -1.973 5.119 -2.957 30 HA LEU 6 HA LEU 6 -0.405 6.748 -4.635 31 HB2 LEU 6 2HB LEU 6 -3.065 7.207 -3.360 32 HB3 LEU 6 1HB LEU 6 -2.315 8.375 -4.421 33 HG LEU 6 HG LEU 6 -3.190 5.560 -5.141 34 HD11 LEU 6 1HD1 LEU 6 -4.834 6.660 -6.564 35 HD12 LEU 6 2HD1 LEU 6 -4.288 8.233 -5.986 36 HD13 LEU 6 3HD1 LEU 6 -5.050 7.100 -4.871 37 HD21 LEU 6 3HD2 LEU 6 -1.223 6.123 -6.432 38 HD22 LEU 6 1HD2 LEU 6 -1.919 7.688 -6.865 39 HD23 LEU 6 2HD2 LEU 6 -2.648 6.201 -7.460 40 H ASP 7 H ASP 7 -1.044 6.926 -1.290 41 HA ASP 7 HA ASP 7 0.212 9.585 -1.113 42 HB2 ASP 7 2HB ASP 7 -2.018 9.325 -0.030 43 HB3 ASP 7 1HB ASP 7 -1.321 8.112 1.039 44 H ASN 8 H ASN 8 2.317 9.341 -0.957 45 HA ASN 8 HA ASN 8 4.357 8.830 -0.199 46 HB2 ASN 8 2HB ASN 8 2.826 8.327 2.338 47 HB3 ASN 8 1HB ASN 8 4.582 8.216 2.195 48 HD21 ASN 8 1HD2 ASN 8 1.823 10.381 2.246 49 HD22 ASN 8 2HD2 ASN 8 2.768 11.823 2.347 50 H ASN 9 H ASN 9 3.014 6.852 -1.526 51 HA ASN 9 HA ASN 9 3.287 4.709 -2.252 52 HB2 ASN 9 2HB ASN 9 5.716 5.424 -2.142 53 HB3 ASN 9 1HB ASN 9 5.794 4.699 -0.542 54 HD21 ASN 9 1HD2 ASN 9 7.388 3.255 -1.181 55 HD22 ASN 9 2HD2 ASN 9 7.067 1.912 -2.201 56 H GLY 10 H GLY 10 1.690 5.177 0.043 57 HA2 GLY 10 2HA GLY 10 0.345 3.865 1.366 58 HA3 GLY 10 1HA GLY 10 1.204 2.470 0.750 59 H GLY 11 H GLY 11 3.290 4.745 2.104 60 HA2 GLY 11 2HA GLY 11 4.369 4.837 4.157 61 HA3 GLY 11 1HA GLY 11 3.144 3.747 4.809 62 H CYS 12 H CYS 12 4.387 2.626 1.929 63 HA CYS 12 HA CYS 12 5.878 0.595 3.307 64 HB2 CYS 12 2HB CYS 12 5.022 0.863 0.425 65 HB3 CYS 12 1HB CYS 12 5.853 -0.530 1.107 66 H SER 13 H SER 13 8.052 0.477 3.231 67 HA SER 13 HA SER 13 9.545 2.484 1.884 68 HB2 SER 13 2HB SER 13 11.437 0.986 2.875 69 HB3 SER 13 1HB SER 13 10.418 1.912 3.980 70 HG SER 13 HG SER 13 10.150 0.084 4.851 71 H HIS 14 H HIS 14 8.468 -0.715 1.385 72 HA HIS 14 HA HIS 14 10.093 -1.009 -1.042 73 HB2 HIS 14 2HB HIS 14 8.314 -2.984 0.410 74 HB3 HIS 14 1HB HIS 14 9.015 -3.314 -1.153 75 HD1 HIS 14 1HD HIS 14 11.300 -4.286 -1.188 76 HD2 HIS 14 2HD HIS 14 10.286 -2.714 2.509 77 HE1 HIS 14 1HE HIS 14 13.162 -4.965 0.353 78 HE2 HIS 14 2HE HIS 14 12.423 -4.159 2.632 79 H VAL 15 H VAL 15 8.423 -2.419 -2.657 80 HA VAL 15 HA VAL 15 6.722 -0.476 -3.782 81 HB VAL 15 HB VAL 15 6.522 -3.492 -4.145 82 HG11 VAL 15 1HG1 VAL 15 4.564 -2.334 -4.999 83 HG12 VAL 15 2HG1 VAL 15 5.529 -2.976 -6.328 84 HG13 VAL 15 3HG1 VAL 15 5.591 -1.256 -5.945 85 HG21 VAL 15 3HG2 VAL 15 7.942 -3.175 -6.142 86 HG22 VAL 15 1HG2 VAL 15 8.780 -2.761 -4.647 87 HG23 VAL 15 2HG2 VAL 15 8.161 -1.484 -5.692 88 H CYS 16 H CYS 16 4.662 0.095 -3.319 89 HA CYS 16 HA CYS 16 3.289 -1.266 -1.153 90 HB2 CYS 16 2HB CYS 16 3.380 1.251 -1.293 91 HB3 CYS 16 1HB CYS 16 2.440 1.127 -2.777 92 H ASN 17 H ASN 17 1.358 -2.325 -1.422 93 HA ASN 17 HA ASN 17 0.375 -2.576 -4.166 94 HB2 ASN 17 2HB ASN 17 1.539 -4.668 -3.490 95 HB3 ASN 17 1HB ASN 17 0.445 -4.798 -2.114 96 HD21 ASN 17 1HD2 ASN 17 -0.492 -6.734 -2.776 97 HD22 ASN 17 2HD2 ASN 17 -1.511 -6.837 -4.155 98 H ASP 18 H ASP 18 -1.496 -1.638 -4.203 99 HA ASP 18 HA ASP 18 -3.010 -1.291 -1.797 100 HB2 ASP 18 2HB ASP 18 -3.079 0.555 -3.336 101 HB3 ASP 18 1HB ASP 18 -3.616 -0.488 -4.648 102 H LEU 19 H LEU 19 -4.582 -2.436 -1.080 103 HA LEU 19 HA LEU 19 -5.609 -4.621 -2.739 104 HB2 LEU 19 2HB LEU 19 -5.792 -4.292 0.250 105 HB3 LEU 19 1HB LEU 19 -6.239 -5.686 -0.672 106 HG LEU 19 HG LEU 19 -3.407 -4.718 -0.326 107 HD11 LEU 19 1HD1 LEU 19 -3.146 -6.743 1.016 108 HD12 LEU 19 2HD1 LEU 19 -4.875 -7.063 0.848 109 HD13 LEU 19 3HD1 LEU 19 -4.322 -5.632 1.716 110 HD21 LEU 19 3HD2 LEU 19 -3.754 -5.804 -2.480 111 HD22 LEU 19 1HD2 LEU 19 -4.507 -7.179 -1.672 112 HD23 LEU 19 2HD2 LEU 19 -2.802 -6.821 -1.401 113 H LYS 20 H LYS 20 -7.965 -5.042 -2.297 114 HA LYS 20 HA LYS 20 -9.415 -2.596 -2.592 115 HB2 LYS 20 2HB LYS 20 -10.139 -4.816 -3.591 116 HB3 LYS 20 1HB LYS 20 -10.561 -5.336 -1.966 117 HG2 LYS 20 2HG LYS 20 -12.579 -4.629 -3.015 118 HG3 LYS 20 1HG LYS 20 -12.131 -3.384 -1.846 119 HD2 LYS 20 2HD LYS 20 -11.104 -2.077 -3.683 120 HD3 LYS 20 1HD LYS 20 -11.661 -3.295 -4.825 121 HE2 LYS 20 2HE LYS 20 -13.217 -1.478 -4.888 122 HE3 LYS 20 1HE LYS 20 -13.997 -2.825 -4.064 123 HZ1 LYS 20 3HZ LYS 20 -14.387 -0.702 -2.949 124 HZ2 LYS 20 1HZ LYS 20 -12.743 -0.484 -2.738 125 HZ3 LYS 20 2HZ LYS 20 -13.534 -1.729 -1.928 126 H ILE 21 H ILE 21 -9.041 -5.010 -0.114 127 HA ILE 21 HA ILE 21 -10.198 -3.149 1.791 128 HB ILE 21 HB ILE 21 -11.400 -5.248 1.789 129 HG12 ILE 21 2HG1 ILE 21 -11.111 -6.007 4.151 130 HG13 ILE 21 1HG1 ILE 21 -9.640 -5.047 4.237 131 HG21 ILE 21 1HG2 ILE 21 -9.808 -6.738 0.811 132 HG22 ILE 21 2HG2 ILE 21 -10.393 -7.417 2.330 133 HG23 ILE 21 3HG2 ILE 21 -8.798 -6.669 2.255 134 HD11 ILE 21 3HD1 ILE 21 -10.932 -3.018 3.842 135 HD12 ILE 21 1HD1 ILE 21 -11.520 -3.893 5.253 136 HD13 ILE 21 2HD1 ILE 21 -12.409 -3.976 3.732 137 H GLY 22 H GLY 22 -8.416 -1.891 2.042 138 HA2 GLY 22 2HA GLY 22 -6.688 -1.416 3.619 139 HA3 GLY 22 1HA GLY 22 -6.306 -3.129 3.634 140 H TYR 23 H TYR 23 -4.238 -3.129 3.099 141 HA TYR 23 HA TYR 23 -3.394 -2.750 0.430 142 HB2 TYR 23 2HB TYR 23 -1.694 -0.973 0.901 143 HB3 TYR 23 1HB TYR 23 -3.332 -0.359 1.096 144 HD1 TYR 23 2HD TYR 23 -4.244 -0.038 3.400 145 HD2 TYR 23 1HD TYR 23 -0.148 -0.973 2.756 146 HE1 TYR 23 2HE TYR 23 -3.728 0.698 5.670 147 HE2 TYR 23 1HE TYR 23 0.370 -0.241 5.053 148 HH TYR 23 HH TYR 23 -2.058 0.258 7.340 149 H GLU 24 H GLU 24 -0.818 -3.069 0.513 150 HA GLU 24 HA GLU 24 0.182 -4.172 2.950 151 HB2 GLU 24 2HB GLU 24 0.700 -6.379 2.112 152 HB3 GLU 24 1HB GLU 24 -1.027 -6.123 1.937 153 HG2 GLU 24 2HG GLU 24 -0.732 -5.678 -0.434 154 HG3 GLU 24 1HG GLU 24 1.012 -5.876 -0.260 155 H CYS 25 H CYS 25 2.469 -4.619 2.730 156 HA CYS 25 HA CYS 25 3.694 -3.039 0.589 157 HB2 CYS 25 2HB CYS 25 4.824 -3.966 3.240 158 HB3 CYS 25 1HB CYS 25 5.646 -2.944 2.067 159 H LEU 26 H LEU 26 5.105 -4.021 -0.798 160 HA LEU 26 HA LEU 26 5.597 -6.883 -0.348 161 HB2 LEU 26 2HB LEU 26 5.158 -5.449 -2.966 162 HB3 LEU 26 1HB LEU 26 5.647 -7.123 -2.807 163 HG LEU 26 HG LEU 26 3.027 -5.959 -1.891 164 HD11 LEU 26 1HD1 LEU 26 2.081 -7.257 -3.728 165 HD12 LEU 26 2HD1 LEU 26 3.698 -7.778 -4.201 166 HD13 LEU 26 3HD1 LEU 26 3.248 -6.077 -4.323 167 HD21 LEU 26 3HD2 LEU 26 4.020 -8.813 -1.917 168 HD22 LEU 26 1HD2 LEU 26 2.393 -8.287 -1.476 169 HD23 LEU 26 2HD2 LEU 26 3.769 -7.815 -0.484 170 HN1 NH2 27 1H LEU 26 6.917 -4.950 -2.927 171 HN2 NH2 27 2H LEU 26 8.553 -5.014 -2.374 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -10.839 1.588 -4.931 2 H2 GLY 1 2HT GLY 1 -12.045 2.754 -5.015 3 H3 GLY 1 3HT GLY 1 -12.453 1.120 -4.771 4 HA2 GLY 1 1HA GLY 1 -12.622 2.359 -2.727 5 HA3 GLY 1 2HA GLY 1 -11.354 1.132 -2.681 6 H THR 2 H THR 2 -10.530 2.486 -0.938 7 HA THR 2 HA THR 2 -9.243 4.929 -1.845 8 HB THR 2 HB THR 2 -9.291 3.694 0.927 9 HG1 THR 2 1HG THR 2 -11.068 5.288 -0.517 10 HG21 THR 2 3HG2 THR 2 -8.654 6.498 -0.030 11 HG22 THR 2 1HG2 THR 2 -7.480 5.321 0.555 12 HG23 THR 2 2HG2 THR 2 -8.697 5.974 1.653 13 H ASN 3 H ASN 3 -7.227 4.868 -2.523 14 HA ASN 3 HA ASN 3 -5.631 2.445 -2.173 15 HB2 ASN 3 2HB ASN 3 -5.981 3.403 -4.461 16 HB3 ASN 3 1HB ASN 3 -5.188 4.868 -3.933 17 HD21 ASN 3 1HD2 ASN 3 -4.496 3.081 -6.099 18 HD22 ASN 3 2HD2 ASN 3 -2.883 2.555 -5.802 19 H GLU 4 H GLU 4 -4.765 2.616 -0.154 20 HA GLU 4 HA GLU 4 -3.848 4.980 1.065 21 HB2 GLU 4 2HB GLU 4 -3.128 2.102 1.618 22 HB3 GLU 4 1HB GLU 4 -2.649 3.442 2.631 23 HG2 GLU 4 2HG GLU 4 -4.514 2.269 3.612 24 HG3 GLU 4 1HG GLU 4 -5.008 3.885 3.146 25 H CYS 5 H CYS 5 -2.384 2.818 -1.154 26 HA CYS 5 HA CYS 5 0.335 3.360 -0.548 27 HB2 CYS 5 2HB CYS 5 -0.978 2.208 -2.975 28 HB3 CYS 5 1HB CYS 5 0.752 2.281 -2.700 29 H LEU 6 H LEU 6 -2.012 4.946 -2.331 30 HA LEU 6 HA LEU 6 -0.437 6.431 -4.143 31 HB2 LEU 6 2HB LEU 6 -3.073 7.054 -2.889 32 HB3 LEU 6 1HB LEU 6 -2.295 8.178 -3.990 33 HG LEU 6 HG LEU 6 -3.246 5.384 -4.588 34 HD11 LEU 6 1HD1 LEU 6 -5.027 7.030 -4.325 35 HD12 LEU 6 2HD1 LEU 6 -4.868 6.514 -6.003 36 HD13 LEU 6 3HD1 LEU 6 -4.232 8.080 -5.498 37 HD21 LEU 6 3HD2 LEU 6 -1.929 7.416 -6.396 38 HD22 LEU 6 1HD2 LEU 6 -2.685 5.913 -6.922 39 HD23 LEU 6 2HD2 LEU 6 -1.258 5.857 -5.902 40 H ASP 7 H ASP 7 -1.135 7.053 -0.763 41 HA ASP 7 HA ASP 7 0.576 9.421 -1.024 42 HB2 ASP 7 2HB ASP 7 -1.573 10.023 -0.072 43 HB3 ASP 7 1HB ASP 7 -1.408 8.777 1.161 44 H ASN 8 H ASN 8 2.529 9.232 -0.492 45 HA ASN 8 HA ASN 8 4.451 8.774 0.571 46 HB2 ASN 8 2HB ASN 8 3.034 9.390 2.544 47 HB3 ASN 8 1HB ASN 8 2.818 7.679 2.853 48 HD21 ASN 8 1HD2 ASN 8 5.802 9.177 1.696 49 HD22 ASN 8 2HD2 ASN 8 6.725 8.821 3.103 50 H ASN 9 H ASN 9 2.861 6.841 -0.872 51 HA ASN 9 HA ASN 9 2.896 4.674 -1.663 52 HB2 ASN 9 2HB ASN 9 5.345 5.317 -1.926 53 HB3 ASN 9 1HB ASN 9 5.651 4.523 -0.388 54 HD21 ASN 9 1HD2 ASN 9 6.912 2.946 -1.103 55 HD22 ASN 9 2HD2 ASN 9 6.432 1.666 -2.150 56 H GLY 10 H GLY 10 1.653 5.132 0.818 57 HA2 GLY 10 2HA GLY 10 0.571 3.845 2.385 58 HA3 GLY 10 1HA GLY 10 1.473 2.449 1.813 59 H GLY 11 H GLY 11 3.701 4.750 2.403 60 HA2 GLY 11 2HA GLY 11 4.944 5.360 4.285 61 HA3 GLY 11 1HA GLY 11 4.012 4.215 5.249 62 H CYS 12 H CYS 12 4.936 2.885 2.305 63 HA CYS 12 HA CYS 12 7.006 1.345 3.671 64 HB2 CYS 12 2HB CYS 12 5.187 0.684 1.359 65 HB3 CYS 12 1HB CYS 12 6.426 -0.395 1.987 66 H SER 13 H SER 13 8.931 0.933 2.671 67 HA SER 13 HA SER 13 9.745 2.873 0.701 68 HB2 SER 13 2HB SER 13 11.154 2.403 2.718 69 HB3 SER 13 1HB SER 13 11.360 0.750 2.151 70 HG SER 13 HG SER 13 12.105 3.005 0.616 71 H HIS 14 H HIS 14 8.822 -0.439 0.877 72 HA HIS 14 HA HIS 14 10.020 -1.033 -1.721 73 HB2 HIS 14 2HB HIS 14 8.531 -2.825 0.211 74 HB3 HIS 14 1HB HIS 14 9.096 -3.353 -1.358 75 HD1 HIS 14 1HD HIS 14 11.694 -3.574 -1.656 76 HD2 HIS 14 2HD HIS 14 10.433 -2.781 2.210 77 HE1 HIS 14 1HE HIS 14 13.671 -4.058 -0.184 78 HE2 HIS 14 2HE HIS 14 12.933 -3.375 2.118 79 H VAL 15 H VAL 15 8.229 -2.721 -2.878 80 HA VAL 15 HA VAL 15 6.422 -0.966 -4.120 81 HB VAL 15 HB VAL 15 6.413 -4.003 -4.074 82 HG11 VAL 15 1HG1 VAL 15 4.260 -3.135 -4.829 83 HG12 VAL 15 2HG1 VAL 15 5.146 -3.871 -6.167 84 HG13 VAL 15 3HG1 VAL 15 5.083 -2.115 -6.010 85 HG21 VAL 15 3HG2 VAL 15 7.577 -3.835 -6.215 86 HG22 VAL 15 1HG2 VAL 15 8.505 -3.096 -4.910 87 HG23 VAL 15 2HG2 VAL 15 7.620 -2.081 -6.049 88 H CYS 16 H CYS 16 4.374 -0.379 -3.623 89 HA CYS 16 HA CYS 16 3.043 -1.829 -1.441 90 HB2 CYS 16 2HB CYS 16 3.676 0.624 -1.041 91 HB3 CYS 16 1HB CYS 16 2.537 1.019 -2.317 92 H ASN 17 H ASN 17 1.014 -2.521 -1.832 93 HA ASN 17 HA ASN 17 -0.178 -1.864 -4.414 94 HB2 ASN 17 2HB ASN 17 0.784 -4.062 -4.781 95 HB3 ASN 17 1HB ASN 17 0.068 -4.670 -3.293 96 HD21 ASN 17 1HD2 ASN 17 -1.984 -5.497 -3.364 97 HD22 ASN 17 2HD2 ASN 17 -2.980 -5.450 -4.769 98 H ASP 18 H ASP 18 -2.160 -1.296 -4.321 99 HA ASP 18 HA ASP 18 -3.439 -1.061 -1.796 100 HB2 ASP 18 2HB ASP 18 -3.749 0.742 -3.282 101 HB3 ASP 18 1HB ASP 18 -4.266 -0.325 -4.584 102 H LEU 19 H LEU 19 -4.895 -2.271 -0.915 103 HA LEU 19 HA LEU 19 -6.159 -4.355 -2.520 104 HB2 LEU 19 2HB LEU 19 -5.795 -4.235 0.467 105 HB3 LEU 19 1HB LEU 19 -6.565 -5.521 -0.407 106 HG LEU 19 HG LEU 19 -3.639 -4.816 -0.605 107 HD11 LEU 19 1HD1 LEU 19 -3.294 -6.972 0.493 108 HD12 LEU 19 2HD1 LEU 19 -5.038 -7.162 0.660 109 HD13 LEU 19 3HD1 LEU 19 -4.207 -5.860 1.512 110 HD21 LEU 19 3HD2 LEU 19 -4.472 -5.653 -2.720 111 HD22 LEU 19 1HD2 LEU 19 -5.239 -7.018 -1.905 112 HD23 LEU 19 2HD2 LEU 19 -3.482 -6.875 -1.930 113 H LYS 20 H LYS 20 -8.393 -4.816 -1.715 114 HA LYS 20 HA LYS 20 -9.822 -2.364 -1.817 115 HB2 LYS 20 2HB LYS 20 -10.709 -5.234 -1.600 116 HB3 LYS 20 1HB LYS 20 -11.875 -3.940 -1.382 117 HG2 LYS 20 2HG LYS 20 -11.875 -4.808 -3.692 118 HG3 LYS 20 1HG LYS 20 -11.438 -3.105 -3.626 119 HD2 LYS 20 2HD LYS 20 -9.031 -3.805 -3.772 120 HD3 LYS 20 1HD LYS 20 -9.584 -5.460 -4.014 121 HE2 LYS 20 2HE LYS 20 -10.717 -4.823 -6.055 122 HE3 LYS 20 1HE LYS 20 -10.327 -3.128 -5.773 123 HZ1 LYS 20 3HZ LYS 20 -8.359 -5.291 -6.332 124 HZ2 LYS 20 1HZ LYS 20 -7.977 -3.693 -5.971 125 HZ3 LYS 20 2HZ LYS 20 -8.819 -4.041 -7.369 126 H ILE 21 H ILE 21 -9.096 -4.608 0.717 127 HA ILE 21 HA ILE 21 -9.892 -2.516 2.598 128 HB ILE 21 HB ILE 21 -9.591 -5.496 3.083 129 HG12 ILE 21 2HG1 ILE 21 -11.676 -5.014 1.926 130 HG13 ILE 21 1HG1 ILE 21 -11.994 -5.464 3.599 131 HG21 ILE 21 1HG2 ILE 21 -10.375 -5.050 5.357 132 HG22 ILE 21 2HG2 ILE 21 -10.345 -3.317 5.017 133 HG23 ILE 21 3HG2 ILE 21 -8.843 -4.244 5.010 134 HD11 ILE 21 3HD1 ILE 21 -12.044 -2.675 2.456 135 HD12 ILE 21 1HD1 ILE 21 -12.299 -3.093 4.152 136 HD13 ILE 21 2HD1 ILE 21 -13.436 -3.651 2.927 137 H GLY 22 H GLY 22 -8.198 -1.456 3.300 138 HA2 GLY 22 2HA GLY 22 -6.087 -1.001 4.033 139 HA3 GLY 22 1HA GLY 22 -5.812 -2.736 4.119 140 H TYR 23 H TYR 23 -3.817 -2.681 3.281 141 HA TYR 23 HA TYR 23 -3.563 -2.682 0.444 142 HB2 TYR 23 2HB TYR 23 -1.812 -0.953 0.326 143 HB3 TYR 23 1HB TYR 23 -3.308 -0.247 0.915 144 HD1 TYR 23 2HD TYR 23 -3.511 0.201 3.431 145 HD2 TYR 23 1HD TYR 23 0.177 -0.792 1.572 146 HE1 TYR 23 2HE TYR 23 -2.295 1.128 5.357 147 HE2 TYR 23 1HE TYR 23 1.397 0.125 3.488 148 HH TYR 23 HH TYR 23 1.067 1.696 5.252 149 H GLU 24 H GLU 24 -1.119 -3.230 -0.004 150 HA GLU 24 HA GLU 24 0.006 -4.647 2.294 151 HB2 GLU 24 2HB GLU 24 0.475 -6.599 0.939 152 HB3 GLU 24 1HB GLU 24 -1.246 -6.263 0.882 153 HG2 GLU 24 2HG GLU 24 -0.910 -5.180 -1.332 154 HG3 GLU 24 1HG GLU 24 0.783 -5.641 -1.250 155 H CYS 25 H CYS 25 2.261 -4.785 2.262 156 HA CYS 25 HA CYS 25 3.551 -3.253 0.139 157 HB2 CYS 25 2HB CYS 25 4.350 -3.496 3.039 158 HB3 CYS 25 1HB CYS 25 5.261 -2.627 1.809 159 H LEU 26 H LEU 26 4.888 -4.311 -1.025 160 HA LEU 26 HA LEU 26 5.494 -7.086 -0.372 161 HB2 LEU 26 2HB LEU 26 5.814 -5.550 -2.945 162 HB3 LEU 26 1HB LEU 26 5.982 -7.281 -2.747 163 HG LEU 26 HG LEU 26 3.404 -5.742 -2.365 164 HD11 LEU 26 1HD1 LEU 26 2.697 -6.805 -4.438 165 HD12 LEU 26 2HD1 LEU 26 4.303 -7.509 -4.628 166 HD13 LEU 26 3HD1 LEU 26 4.095 -5.760 -4.691 167 HD21 LEU 26 3HD2 LEU 26 3.973 -8.702 -2.398 168 HD22 LEU 26 1HD2 LEU 26 2.379 -7.951 -2.288 169 HD23 LEU 26 2HD2 LEU 26 3.546 -7.739 -0.983 170 HN1 NH2 27 1H LEU 26 7.218 -6.876 0.989 171 HN2 NH2 27 2H LEU 26 8.747 -6.205 0.537 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -10.437 5.773 -4.909 2 H2 GLY 1 2HT GLY 1 -11.528 6.684 -4.020 3 H3 GLY 1 3HT GLY 1 -12.081 5.753 -5.330 4 HA2 GLY 1 1HA GLY 1 -12.593 4.738 -3.202 5 HA3 GLY 1 2HA GLY 1 -11.470 3.752 -4.126 6 H THR 2 H THR 2 -11.064 2.987 -1.835 7 HA THR 2 HA THR 2 -9.536 4.804 -0.163 8 HB THR 2 HB THR 2 -10.186 1.878 0.260 9 HG1 THR 2 1HG THR 2 -11.671 4.233 0.802 10 HG21 THR 2 3HG2 THR 2 -9.947 2.459 2.649 11 HG22 THR 2 1HG2 THR 2 -9.541 4.114 2.197 12 HG23 THR 2 2HG2 THR 2 -8.463 2.791 1.757 13 H ASN 3 H ASN 3 -7.683 5.010 -1.636 14 HA ASN 3 HA ASN 3 -6.119 2.530 -1.872 15 HB2 ASN 3 2HB ASN 3 -6.719 3.607 -4.050 16 HB3 ASN 3 1HB ASN 3 -5.823 5.035 -3.555 17 HD21 ASN 3 1HD2 ASN 3 -5.434 3.227 -5.839 18 HD22 ASN 3 2HD2 ASN 3 -3.809 2.664 -5.707 19 H GLU 4 H GLU 4 -5.119 2.515 0.007 20 HA GLU 4 HA GLU 4 -3.984 4.713 1.294 21 HB2 GLU 4 2HB GLU 4 -3.377 1.768 1.665 22 HB3 GLU 4 1HB GLU 4 -2.975 3.048 2.790 23 HG2 GLU 4 2HG GLU 4 -4.852 2.109 3.769 24 HG3 GLU 4 1HG GLU 4 -5.546 3.452 2.878 25 H CYS 5 H CYS 5 -2.765 2.536 -1.149 26 HA CYS 5 HA CYS 5 -0.007 2.985 -0.616 27 HB2 CYS 5 2HB CYS 5 -1.400 1.873 -3.021 28 HB3 CYS 5 1HB CYS 5 0.342 2.031 -2.898 29 H LEU 6 H LEU 6 -2.329 4.682 -2.452 30 HA LEU 6 HA LEU 6 -0.461 6.182 -3.986 31 HB2 LEU 6 2HB LEU 6 -3.281 6.724 -3.206 32 HB3 LEU 6 1HB LEU 6 -2.347 7.859 -4.157 33 HG LEU 6 HG LEU 6 -3.173 5.045 -4.903 34 HD11 LEU 6 1HD1 LEU 6 -4.451 6.137 -6.670 35 HD12 LEU 6 2HD1 LEU 6 -3.957 7.712 -6.048 36 HD13 LEU 6 3HD1 LEU 6 -4.966 6.653 -5.064 37 HD21 LEU 6 3HD2 LEU 6 -0.963 5.437 -5.819 38 HD22 LEU 6 1HD2 LEU 6 -1.478 6.999 -6.462 39 HD23 LEU 6 2HD2 LEU 6 -2.161 5.507 -7.104 40 H ASP 7 H ASP 7 -1.628 6.492 -0.827 41 HA ASP 7 HA ASP 7 -0.447 9.137 -0.462 42 HB2 ASP 7 2HB ASP 7 -2.573 8.720 0.682 43 HB3 ASP 7 1HB ASP 7 -1.862 7.353 1.533 44 H ASN 8 H ASN 8 1.645 9.163 -0.303 45 HA ASN 8 HA ASN 8 3.789 8.791 0.354 46 HB2 ASN 8 2HB ASN 8 2.382 7.722 2.786 47 HB3 ASN 8 1HB ASN 8 4.133 7.835 2.630 48 HD21 ASN 8 1HD2 ASN 8 1.140 9.627 3.008 49 HD22 ASN 8 2HD2 ASN 8 1.903 11.135 3.358 50 H ASN 9 H ASN 9 2.421 6.732 -1.109 51 HA ASN 9 HA ASN 9 2.741 4.638 -1.989 52 HB2 ASN 9 2HB ASN 9 5.151 5.437 -2.111 53 HB3 ASN 9 1HB ASN 9 5.429 4.663 -0.556 54 HD21 ASN 9 1HD2 ASN 9 6.806 3.146 -1.155 55 HD22 ASN 9 2HD2 ASN 9 6.499 1.842 -2.232 56 H GLY 10 H GLY 10 1.361 4.934 0.442 57 HA2 GLY 10 2HA GLY 10 0.275 3.500 1.885 58 HA3 GLY 10 1HA GLY 10 1.316 2.200 1.322 59 H GLY 11 H GLY 11 3.148 4.834 2.159 60 HA2 GLY 11 2HA GLY 11 4.325 5.423 4.062 61 HA3 GLY 11 1HA GLY 11 3.449 4.186 4.968 62 H CYS 12 H CYS 12 4.389 2.773 2.195 63 HA CYS 12 HA CYS 12 6.523 1.393 3.560 64 HB2 CYS 12 2HB CYS 12 4.907 0.780 1.095 65 HB3 CYS 12 1HB CYS 12 6.159 -0.275 1.729 66 H SER 13 H SER 13 8.566 1.187 2.703 67 HA SER 13 HA SER 13 9.312 3.186 0.781 68 HB2 SER 13 2HB SER 13 11.608 2.337 1.439 69 HB3 SER 13 1HB SER 13 10.651 3.048 2.744 70 HG SER 13 HG SER 13 11.625 1.061 3.317 71 H HIS 14 H HIS 14 8.430 -0.066 0.858 72 HA HIS 14 HA HIS 14 9.861 -0.640 -1.620 73 HB2 HIS 14 2HB HIS 14 8.600 -2.545 0.362 74 HB3 HIS 14 1HB HIS 14 9.255 -3.043 -1.182 75 HD1 HIS 14 1HD HIS 14 11.794 -3.285 -1.379 76 HD2 HIS 14 2HD HIS 14 10.554 -1.750 2.283 77 HE1 HIS 14 1HE HIS 14 13.796 -3.370 0.102 78 HE2 HIS 14 2HE HIS 14 13.043 -2.399 2.298 79 H VAL 15 H VAL 15 8.263 -2.642 -2.658 80 HA VAL 15 HA VAL 15 6.360 -1.190 -4.099 81 HB VAL 15 HB VAL 15 6.449 -4.189 -3.692 82 HG11 VAL 15 1HG1 VAL 15 4.339 -3.475 -4.662 83 HG12 VAL 15 2HG1 VAL 15 5.309 -4.322 -5.867 84 HG13 VAL 15 3HG1 VAL 15 5.196 -2.562 -5.904 85 HG21 VAL 15 3HG2 VAL 15 7.774 -2.489 -5.797 86 HG22 VAL 15 1HG2 VAL 15 7.750 -4.250 -5.771 87 HG23 VAL 15 2HG2 VAL 15 8.583 -3.363 -4.497 88 H CYS 16 H CYS 16 4.453 -0.439 -3.426 89 HA CYS 16 HA CYS 16 3.068 -1.835 -1.268 90 HB2 CYS 16 2HB CYS 16 3.462 0.735 -1.198 91 HB3 CYS 16 1HB CYS 16 2.278 0.766 -2.507 92 H ASN 17 H ASN 17 1.517 -3.010 -1.751 93 HA ASN 17 HA ASN 17 0.286 -2.959 -4.418 94 HB2 ASN 17 2HB ASN 17 1.489 -5.031 -4.022 95 HB3 ASN 17 1HB ASN 17 0.688 -5.256 -2.479 96 HD21 ASN 17 1HD2 ASN 17 -0.115 -7.251 -3.064 97 HD22 ASN 17 2HD2 ASN 17 -1.360 -7.459 -4.234 98 H ASP 18 H ASP 18 -1.419 -1.821 -4.181 99 HA ASP 18 HA ASP 18 -2.848 -1.541 -1.764 100 HB2 ASP 18 2HB ASP 18 -2.848 0.361 -3.085 101 HB3 ASP 18 1HB ASP 18 -3.276 -0.526 -4.539 102 H LEU 19 H LEU 19 -4.027 -2.976 -0.941 103 HA LEU 19 HA LEU 19 -5.673 -4.849 -2.461 104 HB2 LEU 19 2HB LEU 19 -5.683 -4.330 0.514 105 HB3 LEU 19 1HB LEU 19 -6.191 -5.753 -0.314 106 HG LEU 19 HG LEU 19 -3.303 -4.911 -0.130 107 HD11 LEU 19 1HD1 LEU 19 -3.063 -6.776 1.403 108 HD12 LEU 19 2HD1 LEU 19 -4.797 -7.073 1.317 109 HD13 LEU 19 3HD1 LEU 19 -4.194 -5.575 2.029 110 HD21 LEU 19 3HD2 LEU 19 -3.786 -6.191 -2.144 111 HD22 LEU 19 1HD2 LEU 19 -4.577 -7.437 -1.177 112 HD23 LEU 19 2HD2 LEU 19 -2.846 -7.150 -1.001 113 H LYS 20 H LYS 20 -8.155 -4.778 -1.774 114 HA LYS 20 HA LYS 20 -9.075 -2.160 -2.276 115 HB2 LYS 20 2HB LYS 20 -10.494 -4.216 -2.662 116 HB3 LYS 20 1HB LYS 20 -10.701 -4.333 -0.919 117 HG2 LYS 20 2HG LYS 20 -11.765 -2.117 -0.896 118 HG3 LYS 20 1HG LYS 20 -11.586 -2.023 -2.643 119 HD2 LYS 20 2HD LYS 20 -13.849 -2.666 -2.114 120 HD3 LYS 20 1HD LYS 20 -13.023 -4.041 -2.847 121 HE2 LYS 20 2HE LYS 20 -12.705 -5.053 -0.675 122 HE3 LYS 20 1HE LYS 20 -13.375 -3.632 0.119 123 HZ1 LYS 20 3HZ LYS 20 -14.960 -5.438 -0.025 124 HZ2 LYS 20 1HZ LYS 20 -14.890 -5.446 -1.701 125 HZ3 LYS 20 2HZ LYS 20 -15.516 -4.113 -0.873 126 H ILE 21 H ILE 21 -9.060 -4.013 0.689 127 HA ILE 21 HA ILE 21 -9.214 -1.485 2.138 128 HB ILE 21 HB ILE 21 -11.182 -2.806 2.659 129 HG12 ILE 21 2HG1 ILE 21 -10.942 -3.125 5.130 130 HG13 ILE 21 1HG1 ILE 21 -9.209 -2.887 4.945 131 HG21 ILE 21 1HG2 ILE 21 -11.111 -5.031 3.681 132 HG22 ILE 21 2HG2 ILE 21 -9.371 -5.083 3.401 133 HG23 ILE 21 3HG2 ILE 21 -10.482 -5.007 2.033 134 HD11 ILE 21 3HD1 ILE 21 -9.604 -0.625 4.118 135 HD12 ILE 21 1HD1 ILE 21 -10.312 -0.864 5.713 136 HD13 ILE 21 2HD1 ILE 21 -11.343 -0.867 4.283 137 H GLY 22 H GLY 22 -7.359 -0.908 3.066 138 HA2 GLY 22 2HA GLY 22 -5.403 -1.219 4.210 139 HA3 GLY 22 1HA GLY 22 -5.621 -2.968 4.082 140 H TYR 23 H TYR 23 -3.371 -3.033 3.437 141 HA TYR 23 HA TYR 23 -3.093 -2.939 0.627 142 HB2 TYR 23 2HB TYR 23 -1.148 -1.360 0.648 143 HB3 TYR 23 1HB TYR 23 -2.660 -0.579 1.087 144 HD1 TYR 23 1HD TYR 23 -3.082 0.004 3.515 145 HD2 TYR 23 2HD TYR 23 0.687 -1.414 2.159 146 HE1 TYR 23 1HE TYR 23 -2.035 0.825 5.585 147 HE2 TYR 23 2HE TYR 23 1.736 -0.600 4.212 148 HH TYR 23 HH TYR 23 0.014 0.216 6.921 149 H GLU 24 H GLU 24 -0.898 -3.728 0.039 150 HA GLU 24 HA GLU 24 0.287 -5.475 2.080 151 HB2 GLU 24 2HB GLU 24 -0.967 -6.764 0.450 152 HB3 GLU 24 1HB GLU 24 -0.234 -5.896 -0.882 153 HG2 GLU 24 2HG GLU 24 0.822 -8.041 -0.769 154 HG3 GLU 24 1HG GLU 24 1.949 -6.846 -0.170 155 H CYS 25 H CYS 25 2.597 -5.472 2.013 156 HA CYS 25 HA CYS 25 3.777 -3.755 -0.014 157 HB2 CYS 25 2HB CYS 25 4.361 -3.545 2.941 158 HB3 CYS 25 1HB CYS 25 5.338 -2.785 1.685 159 H LEU 26 H LEU 26 5.343 -4.537 -0.998 160 HA LEU 26 HA LEU 26 6.584 -6.973 0.052 161 HB2 LEU 26 2HB LEU 26 6.156 -6.243 -2.861 162 HB3 LEU 26 1HB LEU 26 6.866 -7.718 -2.256 163 HG LEU 26 HG LEU 26 4.736 -8.331 -2.962 164 HD11 LEU 26 1HD1 LEU 26 4.514 -7.957 -0.018 165 HD12 LEU 26 2HD1 LEU 26 5.248 -9.312 -0.875 166 HD13 LEU 26 3HD1 LEU 26 3.513 -9.018 -1.012 167 HD21 LEU 26 3HD2 LEU 26 3.755 -6.132 -3.267 168 HD22 LEU 26 1HD2 LEU 26 3.584 -5.949 -1.522 169 HD23 LEU 26 2HD2 LEU 26 2.654 -7.183 -2.377 170 HN1 NH2 27 1H LEU 26 8.395 -6.157 0.889 171 HN2 NH2 27 2H LEU 26 9.567 -5.219 0.035 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -11.766 4.806 -4.697 2 H2 GLY 1 2HT GLY 1 -12.859 3.559 -4.924 3 H3 GLY 1 3HT GLY 1 -11.216 3.220 -4.669 4 HA2 GLY 1 1HA GLY 1 -13.045 4.438 -2.695 5 HA3 GLY 1 2HA GLY 1 -12.425 2.789 -2.665 6 H THR 2 H THR 2 -11.149 2.842 -0.872 7 HA THR 2 HA THR 2 -9.341 5.059 -0.529 8 HB THR 2 HB THR 2 -10.455 4.362 1.487 9 HG1 THR 2 1HG THR 2 -7.954 3.219 2.008 10 HG21 THR 2 3HG2 THR 2 -10.149 2.113 2.493 11 HG22 THR 2 1HG2 THR 2 -9.301 1.602 1.036 12 HG23 THR 2 2HG2 THR 2 -11.009 2.043 0.958 13 H ASN 3 H ASN 3 -7.577 5.037 -1.721 14 HA ASN 3 HA ASN 3 -6.063 2.539 -1.991 15 HB2 ASN 3 2HB ASN 3 -6.698 3.657 -4.133 16 HB3 ASN 3 1HB ASN 3 -5.844 5.098 -3.609 17 HD21 ASN 3 1HD2 ASN 3 -5.418 3.464 -5.971 18 HD22 ASN 3 2HD2 ASN 3 -3.779 2.914 -5.873 19 H GLU 4 H GLU 4 -4.817 2.442 -0.323 20 HA GLU 4 HA GLU 4 -3.853 4.631 1.154 21 HB2 GLU 4 2HB GLU 4 -3.095 1.715 1.169 22 HB3 GLU 4 1HB GLU 4 -2.558 2.879 2.358 23 HG2 GLU 4 2HG GLU 4 -4.352 1.587 3.294 24 HG3 GLU 4 1HG GLU 4 -4.918 3.224 3.030 25 H CYS 5 H CYS 5 -2.554 2.674 -1.409 26 HA CYS 5 HA CYS 5 0.184 3.274 -1.032 27 HB2 CYS 5 2HB CYS 5 -1.318 2.319 -3.437 28 HB3 CYS 5 1HB CYS 5 0.432 2.418 -3.327 29 H LEU 6 H LEU 6 -2.368 4.886 -2.560 30 HA LEU 6 HA LEU 6 -1.002 6.690 -4.233 31 HB2 LEU 6 2HB LEU 6 -3.541 6.967 -2.706 32 HB3 LEU 6 1HB LEU 6 -2.893 8.306 -3.619 33 HG LEU 6 HG LEU 6 -3.798 5.631 -4.708 34 HD11 LEU 6 1HD1 LEU 6 -4.959 8.402 -4.998 35 HD12 LEU 6 2HD1 LEU 6 -5.606 7.131 -3.969 36 HD13 LEU 6 3HD1 LEU 6 -5.591 6.923 -5.724 37 HD21 LEU 6 3HD2 LEU 6 -3.453 6.661 -6.918 38 HD22 LEU 6 1HD2 LEU 6 -1.941 6.502 -6.026 39 HD23 LEU 6 2HD2 LEU 6 -2.736 8.068 -6.136 40 H ASP 7 H ASP 7 -1.306 6.660 -0.790 41 HA ASP 7 HA ASP 7 -0.042 9.310 -0.746 42 HB2 ASP 7 2HB ASP 7 -2.229 9.176 0.406 43 HB3 ASP 7 1HB ASP 7 -1.537 7.996 1.512 44 H ASN 8 H ASN 8 2.028 9.232 -0.478 45 HA ASN 8 HA ASN 8 4.105 8.798 0.306 46 HB2 ASN 8 2HB ASN 8 2.526 7.938 2.715 47 HB3 ASN 8 1HB ASN 8 4.282 7.818 2.632 48 HD21 ASN 8 1HD2 ASN 8 1.541 10.018 2.753 49 HD22 ASN 8 2HD2 ASN 8 2.473 11.407 3.130 50 H ASN 9 H ASN 9 2.690 6.861 -1.187 51 HA ASN 9 HA ASN 9 2.921 4.757 -2.084 52 HB2 ASN 9 2HB ASN 9 5.367 5.483 -2.061 53 HB3 ASN 9 1HB ASN 9 5.523 4.637 -0.530 54 HD21 ASN 9 1HD2 ASN 9 7.045 3.266 -1.342 55 HD22 ASN 9 2HD2 ASN 9 6.666 1.969 -2.418 56 H GLY 10 H GLY 10 1.530 5.147 0.364 57 HA2 GLY 10 2HA GLY 10 0.304 3.806 1.758 58 HA3 GLY 10 1HA GLY 10 1.193 2.419 1.147 59 H GLY 11 H GLY 11 3.448 4.632 2.084 60 HA2 GLY 11 2HA GLY 11 4.601 4.949 4.082 61 HA3 GLY 11 1HA GLY 11 3.506 3.815 4.874 62 H CYS 12 H CYS 12 4.351 2.452 2.012 63 HA CYS 12 HA CYS 12 6.171 0.608 3.303 64 HB2 CYS 12 2HB CYS 12 5.092 0.636 0.465 65 HB3 CYS 12 1HB CYS 12 5.910 -0.705 1.249 66 H SER 13 H SER 13 8.353 0.659 2.967 67 HA SER 13 HA SER 13 9.397 2.750 1.275 68 HB2 SER 13 2HB SER 13 10.852 0.693 2.942 69 HB3 SER 13 1HB SER 13 11.552 2.154 2.238 70 HG SER 13 HG SER 13 9.884 1.844 4.442 71 H HIS 14 H HIS 14 8.646 -0.525 1.134 72 HA HIS 14 HA HIS 14 10.191 -0.945 -1.305 73 HB2 HIS 14 2HB HIS 14 8.525 -2.847 0.377 74 HB3 HIS 14 1HB HIS 14 9.184 -3.295 -1.181 75 HD1 HIS 14 1HD HIS 14 9.936 -3.562 2.320 76 HD2 HIS 14 2HD HIS 14 12.182 -3.025 -1.136 77 HE1 HIS 14 1HE HIS 14 12.248 -4.280 2.900 78 HE2 HIS 14 2HE HIS 14 13.619 -3.746 0.894 79 H VAL 15 H VAL 15 8.330 -2.586 -2.700 80 HA VAL 15 HA VAL 15 6.652 -0.601 -3.819 81 HB VAL 15 HB VAL 15 6.637 -3.631 -4.169 82 HG11 VAL 15 1HG1 VAL 15 4.440 -2.705 -4.788 83 HG12 VAL 15 2HG1 VAL 15 5.320 -3.280 -6.203 84 HG13 VAL 15 3HG1 VAL 15 5.233 -1.552 -5.863 85 HG21 VAL 15 3HG2 VAL 15 7.743 -1.441 -5.917 86 HG22 VAL 15 1HG2 VAL 15 7.777 -3.165 -6.277 87 HG23 VAL 15 2HG2 VAL 15 8.688 -2.528 -4.904 88 H CYS 16 H CYS 16 4.418 -0.319 -3.646 89 HA CYS 16 HA CYS 16 3.207 -1.499 -1.249 90 HB2 CYS 16 2HB CYS 16 3.396 1.048 -1.432 91 HB3 CYS 16 1HB CYS 16 2.312 0.885 -2.819 92 H ASN 17 H ASN 17 1.432 -2.682 -1.497 93 HA ASN 17 HA ASN 17 0.301 -2.930 -4.199 94 HB2 ASN 17 2HB ASN 17 1.516 -4.973 -3.496 95 HB3 ASN 17 1HB ASN 17 0.483 -5.077 -2.075 96 HD21 ASN 17 1HD2 ASN 17 -0.272 -7.109 -2.700 97 HD22 ASN 17 2HD2 ASN 17 -1.380 -7.316 -4.000 98 H ASP 18 H ASP 18 -1.538 -1.953 -4.225 99 HA ASP 18 HA ASP 18 -2.998 -1.489 -1.805 100 HB2 ASP 18 2HB ASP 18 -2.876 0.409 -3.169 101 HB3 ASP 18 1HB ASP 18 -3.295 -0.482 -4.619 102 H LEU 19 H LEU 19 -4.066 -3.090 -1.068 103 HA LEU 19 HA LEU 19 -5.753 -4.821 -2.686 104 HB2 LEU 19 2HB LEU 19 -5.748 -4.489 0.326 105 HB3 LEU 19 1HB LEU 19 -6.321 -5.845 -0.591 106 HG LEU 19 HG LEU 19 -3.408 -5.098 -0.349 107 HD11 LEU 19 1HD1 LEU 19 -4.976 -7.324 0.929 108 HD12 LEU 19 2HD1 LEU 19 -4.301 -5.913 1.748 109 HD13 LEU 19 3HD1 LEU 19 -3.228 -7.108 1.019 110 HD21 LEU 19 3HD2 LEU 19 -4.733 -7.505 -1.597 111 HD22 LEU 19 1HD2 LEU 19 -2.997 -7.255 -1.418 112 HD23 LEU 19 2HD2 LEU 19 -3.933 -6.198 -2.474 113 H LYS 20 H LYS 20 -8.215 -4.838 -1.881 114 HA LYS 20 HA LYS 20 -9.278 -2.284 -2.391 115 HB2 LYS 20 2HB LYS 20 -10.605 -4.319 -2.697 116 HB3 LYS 20 1HB LYS 20 -10.538 -4.625 -0.968 117 HG2 LYS 20 2HG LYS 20 -11.843 -2.557 -0.578 118 HG3 LYS 20 1HG LYS 20 -11.959 -2.328 -2.321 119 HD2 LYS 20 2HD LYS 20 -13.992 -3.360 -1.496 120 HD3 LYS 20 1HD LYS 20 -13.112 -4.507 -2.500 121 HE2 LYS 20 2HE LYS 20 -12.172 -5.527 -0.416 122 HE3 LYS 20 1HE LYS 20 -13.182 -4.431 0.521 123 HZ1 LYS 20 3HZ LYS 20 -14.130 -6.661 0.244 124 HZ2 LYS 20 1HZ LYS 20 -14.142 -6.451 -1.409 125 HZ3 LYS 20 2HZ LYS 20 -15.147 -5.510 -0.450 126 H ILE 21 H ILE 21 -9.088 -4.047 0.641 127 HA ILE 21 HA ILE 21 -9.223 -1.478 1.953 128 HB ILE 21 HB ILE 21 -10.007 -2.732 4.044 129 HG12 ILE 21 2HG1 ILE 21 -11.427 -4.805 3.526 130 HG13 ILE 21 1HG1 ILE 21 -10.547 -4.920 2.014 131 HG21 ILE 21 1HG2 ILE 21 -11.850 -2.554 1.689 132 HG22 ILE 21 2HG2 ILE 21 -11.464 -1.279 2.845 133 HG23 ILE 21 3HG2 ILE 21 -12.363 -2.704 3.368 134 HD11 ILE 21 3HD1 ILE 21 -8.469 -5.205 3.280 135 HD12 ILE 21 1HD1 ILE 21 -9.659 -6.445 3.674 136 HD13 ILE 21 2HD1 ILE 21 -9.387 -5.096 4.779 137 H GLY 22 H GLY 22 -7.703 -0.896 3.297 138 HA2 GLY 22 2HA GLY 22 -5.546 -0.824 3.996 139 HA3 GLY 22 1HA GLY 22 -5.645 -2.568 4.213 140 H TYR 23 H TYR 23 -3.616 -3.003 3.391 141 HA TYR 23 HA TYR 23 -3.224 -3.220 0.612 142 HB2 TYR 23 2HB TYR 23 -1.412 -1.552 0.367 143 HB3 TYR 23 1HB TYR 23 -2.905 -0.739 0.833 144 HD1 TYR 23 1HD TYR 23 -3.213 -0.179 3.315 145 HD2 TYR 23 2HD TYR 23 0.530 -1.275 1.654 146 HE1 TYR 23 1HE TYR 23 -2.089 0.773 5.262 147 HE2 TYR 23 2HE TYR 23 1.666 -0.330 3.586 148 HH TYR 23 HH TYR 23 -0.043 0.570 6.429 149 H GLU 24 H GLU 24 -0.727 -3.779 0.354 150 HA GLU 24 HA GLU 24 0.445 -4.723 2.832 151 HB2 GLU 24 2HB GLU 24 1.017 -6.899 1.810 152 HB3 GLU 24 1HB GLU 24 -0.718 -6.683 1.936 153 HG2 GLU 24 2HG GLU 24 -0.764 -6.078 -0.467 154 HG3 GLU 24 1HG GLU 24 0.968 -6.397 -0.527 155 H CYS 25 H CYS 25 2.740 -4.960 2.657 156 HA CYS 25 HA CYS 25 3.790 -3.221 0.549 157 HB2 CYS 25 2HB CYS 25 5.100 -4.089 3.143 158 HB3 CYS 25 1HB CYS 25 5.753 -2.942 1.982 159 H LEU 26 H LEU 26 5.111 -4.006 -0.965 160 HA LEU 26 HA LEU 26 5.840 -6.839 -0.793 161 HB2 LEU 26 2HB LEU 26 5.459 -5.067 -3.205 162 HB3 LEU 26 1HB LEU 26 5.985 -6.734 -3.271 163 HG LEU 26 HG LEU 26 3.279 -5.764 -2.338 164 HD11 LEU 26 1HD1 LEU 26 4.137 -7.227 -4.829 165 HD12 LEU 26 2HD1 LEU 26 3.599 -5.550 -4.738 166 HD13 LEU 26 3HD1 LEU 26 2.474 -6.860 -4.373 167 HD21 LEU 26 3HD2 LEU 26 4.360 -8.568 -2.662 168 HD22 LEU 26 1HD2 LEU 26 2.686 -8.146 -2.300 169 HD23 LEU 26 2HD2 LEU 26 3.954 -7.776 -1.137 170 HN1 NH2 27 1H LEU 26 7.792 -6.737 0.138 171 HN2 NH2 27 2H LEU 26 9.168 -5.918 -0.512 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -11.638 0.882 -5.242 2 H2 GLY 1 2HT GLY 1 -10.003 0.976 -4.834 3 H3 GLY 1 3HT GLY 1 -10.727 2.287 -5.562 4 HA2 GLY 1 1HA GLY 1 -12.114 2.577 -3.596 5 HA3 GLY 1 2HA GLY 1 -11.252 1.210 -2.880 6 H THR 2 H THR 2 -10.887 3.123 -1.308 7 HA THR 2 HA THR 2 -9.130 5.136 -2.030 8 HB THR 2 HB THR 2 -10.525 5.241 0.011 9 HG1 THR 2 1HG THR 2 -9.170 6.638 0.653 10 HG21 THR 2 3HG2 THR 2 -8.608 3.214 1.171 11 HG22 THR 2 1HG2 THR 2 -10.313 2.940 0.811 12 HG23 THR 2 2HG2 THR 2 -9.848 4.077 2.079 13 H ASN 3 H ASN 3 -7.052 5.212 -2.379 14 HA ASN 3 HA ASN 3 -5.600 2.657 -2.358 15 HB2 ASN 3 2HB ASN 3 -6.176 3.874 -4.502 16 HB3 ASN 3 1HB ASN 3 -5.060 5.127 -4.001 17 HD21 ASN 3 1HD2 ASN 3 -2.823 4.720 -4.169 18 HD22 ASN 3 2HD2 ASN 3 -2.256 3.329 -5.028 19 H GLU 4 H GLU 4 -4.637 2.726 -0.360 20 HA GLU 4 HA GLU 4 -3.534 4.865 1.019 21 HB2 GLU 4 2HB GLU 4 -2.770 1.955 1.055 22 HB3 GLU 4 1HB GLU 4 -2.120 3.128 2.178 23 HG2 GLU 4 2HG GLU 4 -3.907 1.829 3.188 24 HG3 GLU 4 1HG GLU 4 -4.339 3.526 3.076 25 H CYS 5 H CYS 5 -2.171 2.937 -1.475 26 HA CYS 5 HA CYS 5 0.542 3.486 -1.228 27 HB2 CYS 5 2HB CYS 5 -1.074 3.035 -3.693 28 HB3 CYS 5 1HB CYS 5 0.655 2.787 -3.519 29 H LEU 6 H LEU 6 -2.028 5.349 -2.510 30 HA LEU 6 HA LEU 6 -0.593 7.270 -4.063 31 HB2 LEU 6 2HB LEU 6 -3.246 7.340 -2.695 32 HB3 LEU 6 1HB LEU 6 -2.604 8.768 -3.473 33 HG LEU 6 HG LEU 6 -3.259 6.131 -4.829 34 HD11 LEU 6 1HD1 LEU 6 -4.683 8.774 -4.893 35 HD12 LEU 6 2HD1 LEU 6 -5.229 7.330 -4.046 36 HD13 LEU 6 3HD1 LEU 6 -5.110 7.327 -5.806 37 HD21 LEU 6 3HD2 LEU 6 -2.424 8.785 -5.978 38 HD22 LEU 6 1HD2 LEU 6 -2.916 7.366 -6.898 39 HD23 LEU 6 2HD2 LEU 6 -1.435 7.326 -5.945 40 H ASP 7 H ASP 7 -1.126 6.882 -0.727 41 HA ASP 7 HA ASP 7 -0.066 9.547 -0.126 42 HB2 ASP 7 2HB ASP 7 -2.125 8.844 1.047 43 HB3 ASP 7 1HB ASP 7 -1.244 7.478 1.723 44 H ASN 8 H ASN 8 2.064 9.278 -0.537 45 HA ASN 8 HA ASN 8 4.255 8.885 -0.077 46 HB2 ASN 8 2HB ASN 8 3.350 9.691 2.045 47 HB3 ASN 8 1HB ASN 8 3.277 8.040 2.642 48 HD21 ASN 8 1HD2 ASN 8 5.806 9.571 0.665 49 HD22 ASN 8 2HD2 ASN 8 7.077 9.345 1.790 50 H ASN 9 H ASN 9 2.852 6.890 -1.199 51 HA ASN 9 HA ASN 9 3.085 4.711 -2.007 52 HB2 ASN 9 2HB ASN 9 5.525 5.374 -2.073 53 HB3 ASN 9 1HB ASN 9 5.703 4.717 -0.460 54 HD21 ASN 9 1HD2 ASN 9 7.193 3.211 -1.031 55 HD22 ASN 9 2HD2 ASN 9 6.829 1.808 -1.956 56 H GLY 10 H GLY 10 1.781 5.272 0.582 57 HA2 GLY 10 2HA GLY 10 0.531 3.940 1.972 58 HA3 GLY 10 1HA GLY 10 1.359 2.537 1.325 59 H GLY 11 H GLY 11 3.676 4.710 2.240 60 HA2 GLY 11 2HA GLY 11 5.074 4.829 4.062 61 HA3 GLY 11 1HA GLY 11 3.835 4.016 5.021 62 H CYS 12 H CYS 12 4.817 2.659 2.031 63 HA CYS 12 HA CYS 12 5.990 0.369 3.379 64 HB2 CYS 12 2HB CYS 12 5.244 0.851 0.486 65 HB3 CYS 12 1HB CYS 12 5.769 -0.684 1.165 66 H SER 13 H SER 13 8.074 -0.283 2.990 67 HA SER 13 HA SER 13 9.958 1.717 2.214 68 HB2 SER 13 2HB SER 13 10.316 0.099 4.105 69 HB3 SER 13 1HB SER 13 10.382 -1.207 2.929 70 HG SER 13 HG SER 13 12.205 0.791 3.520 71 H HIS 14 H HIS 14 8.402 -1.013 0.784 72 HA HIS 14 HA HIS 14 9.882 -0.555 -1.681 73 HB2 HIS 14 2HB HIS 14 8.824 -3.166 -0.575 74 HB3 HIS 14 1HB HIS 14 9.219 -2.965 -2.265 75 HD1 HIS 14 1HD HIS 14 11.624 -3.267 -2.925 76 HD2 HIS 14 2HD HIS 14 11.109 -2.905 1.173 77 HE1 HIS 14 1HE HIS 14 13.850 -3.765 -1.936 78 HE2 HIS 14 2HE HIS 14 13.583 -3.136 0.465 79 H VAL 15 H VAL 15 8.145 -2.037 -3.377 80 HA VAL 15 HA VAL 15 6.255 -0.082 -3.992 81 HB VAL 15 HB VAL 15 6.275 -3.003 -4.846 82 HG11 VAL 15 1HG1 VAL 15 4.885 -2.302 -6.740 83 HG12 VAL 15 2HG1 VAL 15 4.792 -0.674 -6.071 84 HG13 VAL 15 3HG1 VAL 15 4.062 -2.025 -5.204 85 HG21 VAL 15 3HG2 VAL 15 8.292 -1.803 -5.490 86 HG22 VAL 15 1HG2 VAL 15 7.317 -0.533 -6.225 87 HG23 VAL 15 2HG2 VAL 15 7.303 -2.161 -6.903 88 H CYS 16 H CYS 16 4.257 0.336 -3.376 89 HA CYS 16 HA CYS 16 2.987 -1.299 -1.355 90 HB2 CYS 16 2HB CYS 16 3.009 1.145 -1.080 91 HB3 CYS 16 1HB CYS 16 2.225 1.310 -2.644 92 H ASN 17 H ASN 17 1.035 -2.253 -1.636 93 HA ASN 17 HA ASN 17 -0.063 -2.473 -4.357 94 HB2 ASN 17 2HB ASN 17 1.164 -4.537 -3.801 95 HB3 ASN 17 1HB ASN 17 0.279 -4.693 -2.297 96 HD21 ASN 17 1HD2 ASN 17 -0.531 -6.733 -2.859 97 HD22 ASN 17 2HD2 ASN 17 -1.730 -6.945 -4.072 98 H ASP 18 H ASP 18 -2.161 -1.884 -4.375 99 HA ASP 18 HA ASP 18 -3.397 -1.231 -1.859 100 HB2 ASP 18 2HB ASP 18 -3.737 0.416 -3.503 101 HB3 ASP 18 1HB ASP 18 -4.246 -0.757 -4.706 102 H LEU 19 H LEU 19 -4.801 -2.319 -0.806 103 HA LEU 19 HA LEU 19 -6.157 -4.588 -2.102 104 HB2 LEU 19 2HB LEU 19 -5.782 -4.083 0.847 105 HB3 LEU 19 1HB LEU 19 -6.417 -5.519 0.115 106 HG LEU 19 HG LEU 19 -3.537 -4.622 0.002 107 HD11 LEU 19 1HD1 LEU 19 -3.137 -6.636 1.329 108 HD12 LEU 19 2HD1 LEU 19 -4.876 -6.921 1.402 109 HD13 LEU 19 3HD1 LEU 19 -4.186 -5.486 2.157 110 HD21 LEU 19 3HD2 LEU 19 -3.101 -6.756 -1.111 111 HD22 LEU 19 1HD2 LEU 19 -4.175 -5.744 -2.077 112 HD23 LEU 19 2HD2 LEU 19 -4.831 -7.093 -1.147 113 H LYS 20 H LYS 20 -8.370 -4.837 -1.298 114 HA LYS 20 HA LYS 20 -9.718 -2.295 -1.237 115 HB2 LYS 20 2HB LYS 20 -10.637 -4.257 -2.486 116 HB3 LYS 20 1HB LYS 20 -10.909 -5.069 -0.949 117 HG2 LYS 20 2HG LYS 20 -12.451 -3.317 -0.279 118 HG3 LYS 20 1HG LYS 20 -12.169 -2.475 -1.800 119 HD2 LYS 20 2HD LYS 20 -13.085 -4.415 -3.007 120 HD3 LYS 20 1HD LYS 20 -13.400 -5.209 -1.461 121 HE2 LYS 20 2HE LYS 20 -14.573 -2.577 -2.364 122 HE3 LYS 20 1HE LYS 20 -15.415 -4.119 -2.353 123 HZ1 LYS 20 3HZ LYS 20 -14.344 -2.736 0.053 124 HZ2 LYS 20 1HZ LYS 20 -15.213 -4.182 0.054 125 HZ3 LYS 20 2HZ LYS 20 -15.946 -2.732 -0.427 126 H ILE 21 H ILE 21 -8.613 -4.579 0.989 127 HA ILE 21 HA ILE 21 -10.058 -3.237 3.133 128 HB ILE 21 HB ILE 21 -9.600 -5.385 4.485 129 HG12 ILE 21 2HG1 ILE 21 -9.575 -7.461 3.051 130 HG13 ILE 21 1HG1 ILE 21 -9.200 -6.455 1.670 131 HG21 ILE 21 1HG2 ILE 21 -11.628 -6.443 3.579 132 HG22 ILE 21 2HG2 ILE 21 -11.534 -5.367 2.184 133 HG23 ILE 21 3HG2 ILE 21 -11.804 -4.701 3.794 134 HD11 ILE 21 3HD1 ILE 21 -7.219 -7.577 2.503 135 HD12 ILE 21 1HD1 ILE 21 -7.468 -6.876 4.103 136 HD13 ILE 21 2HD1 ILE 21 -7.073 -5.835 2.737 137 H GLY 22 H GLY 22 -7.987 -2.204 2.180 138 HA2 GLY 22 2HA GLY 22 -6.423 -0.991 3.865 139 HA3 GLY 22 1HA GLY 22 -5.839 -2.623 4.159 140 H TYR 23 H TYR 23 -3.874 -2.629 3.429 141 HA TYR 23 HA TYR 23 -3.471 -2.542 0.597 142 HB2 TYR 23 2HB TYR 23 -1.760 -0.831 0.547 143 HB3 TYR 23 1HB TYR 23 -3.202 -0.139 1.271 144 HD1 TYR 23 1HD TYR 23 -3.251 0.023 3.865 145 HD2 TYR 23 2HD TYR 23 0.282 -0.720 1.625 146 HE1 TYR 23 1HE TYR 23 -1.885 0.779 5.768 147 HE2 TYR 23 2HE TYR 23 1.640 0.020 3.512 148 HH TYR 23 HH TYR 23 1.437 1.424 5.437 149 H GLU 24 H GLU 24 -0.958 -2.910 0.264 150 HA GLU 24 HA GLU 24 0.122 -4.633 2.354 151 HB2 GLU 24 2HB GLU 24 -1.126 -6.064 0.813 152 HB3 GLU 24 1HB GLU 24 -0.286 -5.369 -0.557 153 HG2 GLU 24 2HG GLU 24 0.668 -7.496 -0.096 154 HG3 GLU 24 1HG GLU 24 1.824 -6.258 0.366 155 H CYS 25 H CYS 25 2.387 -4.647 2.315 156 HA CYS 25 HA CYS 25 3.646 -2.838 0.382 157 HB2 CYS 25 2HB CYS 25 4.685 -3.767 3.071 158 HB3 CYS 25 1HB CYS 25 5.452 -2.610 2.001 159 H LEU 26 H LEU 26 4.786 -3.844 -1.131 160 HA LEU 26 HA LEU 26 5.243 -6.705 -0.860 161 HB2 LEU 26 2HB LEU 26 5.681 -4.872 -3.215 162 HB3 LEU 26 1HB LEU 26 5.755 -6.621 -3.242 163 HG LEU 26 HG LEU 26 3.275 -4.982 -2.715 164 HD11 LEU 26 1HD1 LEU 26 4.013 -4.821 -5.015 165 HD12 LEU 26 2HD1 LEU 26 2.561 -5.822 -4.905 166 HD13 LEU 26 3HD1 LEU 26 4.141 -6.576 -5.116 167 HD21 LEU 26 3HD2 LEU 26 3.631 -7.959 -3.038 168 HD22 LEU 26 1HD2 LEU 26 2.093 -7.112 -2.878 169 HD23 LEU 26 2HD2 LEU 26 3.238 -7.120 -1.536 170 HN1 NH2 27 1H LEU 26 6.879 -6.441 0.700 171 HN2 NH2 27 2H LEU 26 8.499 -6.037 0.249 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -11.237 3.012 -5.063 2 H2 GLY 1 2HT GLY 1 -11.867 4.555 -4.967 3 H3 GLY 1 3HT GLY 1 -12.925 3.217 -5.055 4 HA2 GLY 1 1HA GLY 1 -12.841 4.044 -2.831 5 HA3 GLY 1 2HA GLY 1 -12.082 2.463 -2.924 6 H THR 2 H THR 2 -10.938 3.053 -1.004 7 HA THR 2 HA THR 2 -9.151 5.301 -1.155 8 HB THR 2 HB THR 2 -10.228 5.130 0.931 9 HG1 THR 2 1HG THR 2 -7.715 3.993 1.551 10 HG21 THR 2 3HG2 THR 2 -10.136 3.129 2.383 11 HG22 THR 2 1HG2 THR 2 -9.267 2.279 1.107 12 HG23 THR 2 2HG2 THR 2 -10.933 2.793 0.847 13 H ASN 3 H ASN 3 -7.331 5.162 -2.131 14 HA ASN 3 HA ASN 3 -5.821 2.652 -2.179 15 HB2 ASN 3 2HB ASN 3 -6.332 3.739 -4.370 16 HB3 ASN 3 1HB ASN 3 -5.489 5.180 -3.828 17 HD21 ASN 3 1HD2 ASN 3 -4.947 3.588 -6.136 18 HD22 ASN 3 2HD2 ASN 3 -3.329 3.004 -5.990 19 H GLU 4 H GLU 4 -4.691 2.626 -0.333 20 HA GLU 4 HA GLU 4 -3.679 4.907 0.995 21 HB2 GLU 4 2HB GLU 4 -2.993 1.982 1.317 22 HB3 GLU 4 1HB GLU 4 -2.402 3.249 2.370 23 HG2 GLU 4 2HG GLU 4 -4.237 2.072 3.414 24 HG3 GLU 4 1HG GLU 4 -4.707 3.730 3.071 25 H CYS 5 H CYS 5 -2.427 2.853 -1.471 26 HA CYS 5 HA CYS 5 0.328 3.310 -1.033 27 HB2 CYS 5 2HB CYS 5 -1.149 2.453 -3.498 28 HB3 CYS 5 1HB CYS 5 0.598 2.415 -3.307 29 H LEU 6 H LEU 6 -2.107 5.010 -2.720 30 HA LEU 6 HA LEU 6 -0.475 6.770 -4.213 31 HB2 LEU 6 2HB LEU 6 -3.211 7.107 -3.072 32 HB3 LEU 6 1HB LEU 6 -2.424 8.367 -3.987 33 HG LEU 6 HG LEU 6 -3.239 5.618 -4.971 34 HD11 LEU 6 1HD1 LEU 6 -5.101 7.159 -4.697 35 HD12 LEU 6 2HD1 LEU 6 -4.787 6.843 -6.404 36 HD13 LEU 6 3HD1 LEU 6 -4.261 8.362 -5.677 37 HD21 LEU 6 3HD2 LEU 6 -1.174 6.273 -6.087 38 HD22 LEU 6 1HD2 LEU 6 -1.863 7.854 -6.468 39 HD23 LEU 6 2HD2 LEU 6 -2.532 6.400 -7.199 40 H ASP 7 H ASP 7 -1.318 6.719 -0.892 41 HA ASP 7 HA ASP 7 -0.077 9.352 -0.511 42 HB2 ASP 7 2HB ASP 7 -2.319 9.193 0.447 43 HB3 ASP 7 1HB ASP 7 -1.821 7.809 1.415 44 H ASN 8 H ASN 8 1.965 9.310 -0.055 45 HA ASN 8 HA ASN 8 3.988 8.903 0.905 46 HB2 ASN 8 2HB ASN 8 2.516 9.145 2.923 47 HB3 ASN 8 1HB ASN 8 2.468 7.398 3.053 48 HD21 ASN 8 1HD2 ASN 8 4.439 10.232 3.445 49 HD22 ASN 8 2HD2 ASN 8 5.753 9.468 4.263 50 H ASN 9 H ASN 9 2.686 7.109 -0.839 51 HA ASN 9 HA ASN 9 2.871 5.081 -1.932 52 HB2 ASN 9 2HB ASN 9 5.328 5.863 -1.977 53 HB3 ASN 9 1HB ASN 9 5.582 4.832 -0.572 54 HD21 ASN 9 1HD2 ASN 9 5.885 2.679 -0.876 55 HD22 ASN 9 2HD2 ASN 9 5.921 1.870 -2.390 56 H GLY 10 H GLY 10 1.537 5.180 0.499 57 HA2 GLY 10 2HA GLY 10 0.324 3.643 1.694 58 HA3 GLY 10 1HA GLY 10 1.379 2.372 1.097 59 H GLY 11 H GLY 11 3.548 4.466 2.126 60 HA2 GLY 11 2HA GLY 11 4.620 4.754 4.188 61 HA3 GLY 11 1HA GLY 11 3.504 3.588 4.908 62 H CYS 12 H CYS 12 4.474 2.547 1.926 63 HA CYS 12 HA CYS 12 6.205 0.533 3.112 64 HB2 CYS 12 2HB CYS 12 5.028 0.711 0.328 65 HB3 CYS 12 1HB CYS 12 5.803 -0.692 1.040 66 H SER 13 H SER 13 8.370 0.739 2.847 67 HA SER 13 HA SER 13 9.553 2.802 1.287 68 HB2 SER 13 2HB SER 13 10.896 0.348 2.404 69 HB3 SER 13 1HB SER 13 11.586 1.954 2.150 70 HG SER 13 HG SER 13 10.358 2.739 3.823 71 H HIS 14 H HIS 14 8.435 -0.319 0.669 72 HA HIS 14 HA HIS 14 9.970 -0.585 -1.817 73 HB2 HIS 14 2HB HIS 14 8.657 -2.757 -0.144 74 HB3 HIS 14 1HB HIS 14 9.481 -3.030 -1.661 75 HD1 HIS 14 1HD HIS 14 12.034 -3.219 -1.586 76 HD2 HIS 14 2HD HIS 14 10.368 -2.124 2.050 77 HE1 HIS 14 1HE HIS 14 13.892 -3.368 0.074 78 HE2 HIS 14 2HE HIS 14 12.917 -2.281 2.123 79 H VAL 15 H VAL 15 8.282 -2.447 -3.071 80 HA VAL 15 HA VAL 15 6.322 -0.781 -4.181 81 HB VAL 15 HB VAL 15 6.459 -3.818 -4.225 82 HG11 VAL 15 1HG1 VAL 15 4.214 -3.042 -4.820 83 HG12 VAL 15 2HG1 VAL 15 5.052 -3.696 -6.227 84 HG13 VAL 15 3HG1 VAL 15 4.905 -1.954 -6.022 85 HG21 VAL 15 3HG2 VAL 15 8.432 -2.761 -5.155 86 HG22 VAL 15 1HG2 VAL 15 7.420 -1.766 -6.194 87 HG23 VAL 15 2HG2 VAL 15 7.472 -3.514 -6.429 88 H CYS 16 H CYS 16 4.294 -0.299 -3.635 89 HA CYS 16 HA CYS 16 3.146 -1.579 -1.279 90 HB2 CYS 16 2HB CYS 16 3.348 0.961 -1.422 91 HB3 CYS 16 1HB CYS 16 2.263 0.834 -2.809 92 H ASN 17 H ASN 17 1.345 -2.738 -1.502 93 HA ASN 17 HA ASN 17 0.146 -2.974 -4.183 94 HB2 ASN 17 2HB ASN 17 1.314 -5.023 -3.515 95 HB3 ASN 17 1HB ASN 17 0.348 -5.113 -2.046 96 HD21 ASN 17 1HD2 ASN 17 -0.664 -7.104 -2.524 97 HD22 ASN 17 2HD2 ASN 17 -1.741 -7.285 -3.839 98 H ASP 18 H ASP 18 -1.550 -1.715 -4.044 99 HA ASP 18 HA ASP 18 -3.050 -1.364 -1.632 100 HB2 ASP 18 2HB ASP 18 -2.884 0.560 -3.015 101 HB3 ASP 18 1HB ASP 18 -3.459 -0.327 -4.421 102 H LEU 19 H LEU 19 -4.466 -2.615 -0.892 103 HA LEU 19 HA LEU 19 -5.895 -4.459 -2.652 104 HB2 LEU 19 2HB LEU 19 -5.628 -4.497 0.355 105 HB3 LEU 19 1HB LEU 19 -6.331 -5.728 -0.634 106 HG LEU 19 HG LEU 19 -3.403 -5.011 -0.744 107 HD11 LEU 19 1HD1 LEU 19 -4.791 -7.350 0.551 108 HD12 LEU 19 2HD1 LEU 19 -3.964 -6.030 1.383 109 HD13 LEU 19 3HD1 LEU 19 -3.049 -7.151 0.378 110 HD21 LEU 19 3HD2 LEU 19 -3.205 -7.062 -2.059 111 HD22 LEU 19 1HD2 LEU 19 -4.264 -5.898 -2.852 112 HD23 LEU 19 2HD2 LEU 19 -4.953 -7.279 -1.996 113 H LYS 20 H LYS 20 -8.211 -4.877 -1.839 114 HA LYS 20 HA LYS 20 -9.689 -2.488 -2.072 115 HB2 LYS 20 2HB LYS 20 -10.637 -5.137 -0.952 116 HB3 LYS 20 1HB LYS 20 -11.672 -3.825 -1.484 117 HG2 LYS 20 2HG LYS 20 -10.842 -4.068 -3.758 118 HG3 LYS 20 1HG LYS 20 -9.776 -5.371 -3.235 119 HD2 LYS 20 2HD LYS 20 -11.733 -6.671 -2.528 120 HD3 LYS 20 1HD LYS 20 -12.784 -5.369 -3.085 121 HE2 LYS 20 2HE LYS 20 -11.941 -5.659 -5.359 122 HE3 LYS 20 1HE LYS 20 -10.882 -6.950 -4.800 123 HZ1 LYS 20 3HZ LYS 20 -12.818 -8.215 -4.154 124 HZ2 LYS 20 1HZ LYS 20 -12.893 -7.821 -5.794 125 HZ3 LYS 20 2HZ LYS 20 -13.846 -6.989 -4.675 126 H ILE 21 H ILE 21 -8.982 -4.464 0.725 127 HA ILE 21 HA ILE 21 -9.471 -2.089 2.329 128 HB ILE 21 HB ILE 21 -9.855 -3.541 4.293 129 HG12 ILE 21 2HG1 ILE 21 -10.002 -5.858 2.357 130 HG13 ILE 21 1HG1 ILE 21 -8.608 -5.531 3.384 131 HG21 ILE 21 1HG2 ILE 21 -11.743 -4.078 2.009 132 HG22 ILE 21 2HG2 ILE 21 -11.778 -2.695 3.102 133 HG23 ILE 21 3HG2 ILE 21 -12.115 -4.314 3.718 134 HD11 ILE 21 3HD1 ILE 21 -11.397 -6.126 4.308 135 HD12 ILE 21 1HD1 ILE 21 -10.009 -5.762 5.334 136 HD13 ILE 21 2HD1 ILE 21 -10.010 -7.230 4.348 137 H GLY 22 H GLY 22 -7.841 -1.476 3.573 138 HA2 GLY 22 2HA GLY 22 -5.665 -1.242 4.200 139 HA3 GLY 22 1HA GLY 22 -5.587 -3.000 4.186 140 H TYR 23 H TYR 23 -3.570 -3.086 3.355 141 HA TYR 23 HA TYR 23 -3.190 -3.139 0.581 142 HB2 TYR 23 2HB TYR 23 -1.535 -1.310 0.373 143 HB3 TYR 23 1HB TYR 23 -3.067 -0.629 0.913 144 HD1 TYR 23 1HD TYR 23 -3.334 -0.054 3.372 145 HD2 TYR 23 2HD TYR 23 0.433 -1.077 1.685 146 HE1 TYR 23 1HE TYR 23 -2.206 0.900 5.327 147 HE2 TYR 23 2HE TYR 23 1.566 -0.125 3.638 148 HH TYR 23 HH TYR 23 1.091 1.548 5.393 149 H GLU 24 H GLU 24 -0.796 -3.767 0.276 150 HA GLU 24 HA GLU 24 0.424 -4.560 2.812 151 HB2 GLU 24 2HB GLU 24 1.094 -6.707 1.927 152 HB3 GLU 24 1HB GLU 24 -0.653 -6.557 1.804 153 HG2 GLU 24 2HG GLU 24 -0.455 -6.036 -0.538 154 HG3 GLU 24 1HG GLU 24 1.305 -6.129 -0.430 155 H CYS 25 H CYS 25 2.695 -4.669 2.761 156 HA CYS 25 HA CYS 25 3.874 -3.093 0.611 157 HB2 CYS 25 2HB CYS 25 4.991 -3.867 3.317 158 HB3 CYS 25 1HB CYS 25 5.734 -2.782 2.152 159 H LEU 26 H LEU 26 5.080 -4.121 -0.848 160 HA LEU 26 HA LEU 26 5.597 -6.953 -0.469 161 HB2 LEU 26 2HB LEU 26 5.957 -5.195 -2.885 162 HB3 LEU 26 1HB LEU 26 6.131 -6.936 -2.864 163 HG LEU 26 HG LEU 26 3.559 -5.415 -2.392 164 HD11 LEU 26 1HD1 LEU 26 4.481 -7.072 -4.727 165 HD12 LEU 26 2HD1 LEU 26 4.301 -5.319 -4.698 166 HD13 LEU 26 3HD1 LEU 26 2.882 -6.354 -4.536 167 HD21 LEU 26 3HD2 LEU 26 3.615 -7.497 -1.124 168 HD22 LEU 26 1HD2 LEU 26 4.078 -8.382 -2.580 169 HD23 LEU 26 2HD2 LEU 26 2.493 -7.614 -2.478 170 HN1 NH2 27 1H LEU 26 7.309 -7.013 0.868 171 HN2 NH2 27 2H LEU 26 8.879 -6.399 0.506 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -11.382 2.780 -5.951 2 H2 GLY 1 2HT GLY 1 -9.814 2.775 -5.295 3 H3 GLY 1 3HT GLY 1 -10.596 4.221 -5.538 4 HA2 GLY 1 1HA GLY 1 -12.218 3.686 -3.869 5 HA3 GLY 1 2HA GLY 1 -11.394 2.148 -3.604 6 H THR 2 H THR 2 -10.857 2.672 -1.431 7 HA THR 2 HA THR 2 -9.367 5.045 -0.855 8 HB THR 2 HB THR 2 -9.805 2.582 0.872 9 HG1 THR 2 1HG THR 2 -11.481 4.528 -0.034 10 HG21 THR 2 3HG2 THR 2 -9.551 4.182 2.733 11 HG22 THR 2 1HG2 THR 2 -9.288 5.488 1.577 12 HG23 THR 2 2HG2 THR 2 -8.112 4.181 1.714 13 H ASN 3 H ASN 3 -7.511 4.873 -2.150 14 HA ASN 3 HA ASN 3 -5.830 2.507 -1.910 15 HB2 ASN 3 2HB ASN 3 -6.079 3.324 -4.184 16 HB3 ASN 3 1HB ASN 3 -5.589 4.937 -3.694 17 HD21 ASN 3 1HD2 ASN 3 -3.989 4.810 -5.322 18 HD22 ASN 3 2HD2 ASN 3 -2.529 3.920 -5.083 19 H GLU 4 H GLU 4 -4.659 2.445 -0.167 20 HA GLU 4 HA GLU 4 -3.711 4.751 1.164 21 HB2 GLU 4 2HB GLU 4 -3.017 1.838 1.495 22 HB3 GLU 4 1HB GLU 4 -2.411 3.104 2.539 23 HG2 GLU 4 2HG GLU 4 -4.181 2.108 3.708 24 HG3 GLU 4 1HG GLU 4 -4.827 3.621 3.099 25 H CYS 5 H CYS 5 -2.478 2.901 -1.450 26 HA CYS 5 HA CYS 5 0.283 3.342 -0.936 27 HB2 CYS 5 2HB CYS 5 -1.168 2.503 -3.411 28 HB3 CYS 5 1HB CYS 5 0.580 2.569 -3.246 29 H LEU 6 H LEU 6 -2.130 5.172 -2.495 30 HA LEU 6 HA LEU 6 -0.381 6.870 -3.994 31 HB2 LEU 6 2HB LEU 6 -2.227 8.418 -4.212 32 HB3 LEU 6 1HB LEU 6 -2.676 6.729 -4.532 33 HG LEU 6 HG LEU 6 -3.788 6.780 -2.230 34 HD11 LEU 6 1HD1 LEU 6 -4.509 8.939 -1.368 35 HD12 LEU 6 2HD1 LEU 6 -3.534 9.762 -2.584 36 HD13 LEU 6 3HD1 LEU 6 -2.752 8.796 -1.334 37 HD21 LEU 6 3HD2 LEU 6 -4.896 8.577 -4.368 38 HD22 LEU 6 1HD2 LEU 6 -5.817 7.797 -3.086 39 HD23 LEU 6 2HD2 LEU 6 -5.028 6.821 -4.331 40 H ASP 7 H ASP 7 -1.446 6.766 -0.988 41 HA ASP 7 HA ASP 7 -0.380 9.349 -0.095 42 HB2 ASP 7 2HB ASP 7 -2.479 8.536 0.921 43 HB3 ASP 7 1HB ASP 7 -1.608 7.152 1.570 44 H ASN 8 H ASN 8 1.750 9.275 -0.297 45 HA ASN 8 HA ASN 8 3.937 8.906 0.157 46 HB2 ASN 8 2HB ASN 8 2.741 8.057 2.770 47 HB3 ASN 8 1HB ASN 8 4.476 8.171 2.461 48 HD21 ASN 8 1HD2 ASN 8 2.719 9.659 4.290 49 HD22 ASN 8 2HD2 ASN 8 2.952 11.331 3.921 50 H ASN 9 H ASN 9 2.589 6.855 -1.117 51 HA ASN 9 HA ASN 9 2.917 4.779 -2.002 52 HB2 ASN 9 2HB ASN 9 5.326 5.661 -2.099 53 HB3 ASN 9 1HB ASN 9 5.595 4.800 -0.587 54 HD21 ASN 9 1HD2 ASN 9 6.193 2.721 -0.687 55 HD22 ASN 9 2HD2 ASN 9 6.253 1.754 -2.092 56 H GLY 10 H GLY 10 1.597 5.114 0.492 57 HA2 GLY 10 2HA GLY 10 0.472 3.698 1.897 58 HA3 GLY 10 1HA GLY 10 1.405 2.362 1.247 59 H GLY 11 H GLY 11 3.480 4.772 2.152 60 HA2 GLY 11 2HA GLY 11 4.834 5.049 3.984 61 HA3 GLY 11 1HA GLY 11 3.765 3.984 4.896 62 H CYS 12 H CYS 12 4.511 2.553 1.973 63 HA CYS 12 HA CYS 12 6.251 0.641 3.276 64 HB2 CYS 12 2HB CYS 12 5.178 0.698 0.435 65 HB3 CYS 12 1HB CYS 12 5.952 -0.668 1.218 66 H SER 13 H SER 13 8.438 0.622 2.927 67 HA SER 13 HA SER 13 9.624 2.729 1.375 68 HB2 SER 13 2HB SER 13 10.933 0.354 2.716 69 HB3 SER 13 1HB SER 13 11.738 1.828 2.173 70 HG SER 13 HG SER 13 9.807 2.646 3.672 71 H HIS 14 H HIS 14 8.607 -0.448 0.853 72 HA HIS 14 HA HIS 14 10.142 -0.673 -1.623 73 HB2 HIS 14 2HB HIS 14 8.717 -2.815 0.000 74 HB3 HIS 14 1HB HIS 14 9.493 -3.099 -1.548 75 HD1 HIS 14 1HD HIS 14 10.293 -2.417 2.077 76 HD2 HIS 14 2HD HIS 14 12.263 -3.326 -1.473 77 HE1 HIS 14 1HE HIS 14 12.654 -2.919 2.722 78 HE2 HIS 14 2HE HIS 14 13.862 -3.251 0.549 79 H VAL 15 H VAL 15 8.420 -2.429 -2.956 80 HA VAL 15 HA VAL 15 6.604 -0.641 -4.109 81 HB VAL 15 HB VAL 15 6.608 -3.677 -4.226 82 HG11 VAL 15 1HG1 VAL 15 5.372 -3.441 -6.333 83 HG12 VAL 15 2HG1 VAL 15 5.331 -1.696 -6.116 84 HG13 VAL 15 3HG1 VAL 15 4.470 -2.743 -4.988 85 HG21 VAL 15 3HG2 VAL 15 8.725 -2.728 -4.950 86 HG22 VAL 15 1HG2 VAL 15 7.882 -1.654 -6.063 87 HG23 VAL 15 2HG2 VAL 15 7.849 -3.398 -6.324 88 H CYS 16 H CYS 16 4.392 -0.347 -3.854 89 HA CYS 16 HA CYS 16 3.242 -1.532 -1.427 90 HB2 CYS 16 2HB CYS 16 3.502 0.996 -1.511 91 HB3 CYS 16 1HB CYS 16 2.391 0.966 -2.877 92 H ASN 17 H ASN 17 1.277 -2.538 -1.598 93 HA ASN 17 HA ASN 17 0.060 -2.651 -4.260 94 HB2 ASN 17 2HB ASN 17 1.322 -4.730 -3.911 95 HB3 ASN 17 1HB ASN 17 0.447 -5.022 -2.413 96 HD21 ASN 17 1HD2 ASN 17 -1.651 -5.824 -2.524 97 HD22 ASN 17 2HD2 ASN 17 -2.370 -6.407 -3.970 98 H ASP 18 H ASP 18 -1.617 -1.480 -3.932 99 HA ASP 18 HA ASP 18 -3.101 -1.307 -1.553 100 HB2 ASP 18 2HB ASP 18 -3.181 0.527 -3.032 101 HB3 ASP 18 1HB ASP 18 -3.697 -0.449 -4.387 102 H LEU 19 H LEU 19 -4.857 -2.279 -0.848 103 HA LEU 19 HA LEU 19 -5.963 -4.464 -2.460 104 HB2 LEU 19 2HB LEU 19 -5.689 -4.371 0.544 105 HB3 LEU 19 1HB LEU 19 -6.382 -5.651 -0.407 106 HG LEU 19 HG LEU 19 -3.487 -4.885 -0.660 107 HD11 LEU 19 1HD1 LEU 19 -4.772 -7.063 0.969 108 HD12 LEU 19 2HD1 LEU 19 -3.957 -5.635 1.608 109 HD13 LEU 19 3HD1 LEU 19 -3.042 -6.848 0.712 110 HD21 LEU 19 3HD2 LEU 19 -3.332 -7.089 -1.708 111 HD22 LEU 19 1HD2 LEU 19 -4.449 -6.042 -2.580 112 HD23 LEU 19 2HD2 LEU 19 -5.072 -7.305 -1.521 113 H LYS 20 H LYS 20 -8.226 -5.002 -1.629 114 HA LYS 20 HA LYS 20 -9.881 -2.766 -1.967 115 HB2 LYS 20 2HB LYS 20 -10.444 -5.248 -2.297 116 HB3 LYS 20 1HB LYS 20 -10.692 -5.326 -0.564 117 HG2 LYS 20 2HG LYS 20 -12.243 -3.473 -2.363 118 HG3 LYS 20 1HG LYS 20 -12.755 -5.113 -2.002 119 HD2 LYS 20 2HD LYS 20 -12.956 -4.571 0.349 120 HD3 LYS 20 1HD LYS 20 -12.296 -2.959 0.063 121 HE2 LYS 20 2HE LYS 20 -14.843 -4.012 -1.163 122 HE3 LYS 20 1HE LYS 20 -14.785 -3.019 0.285 123 HZ1 LYS 20 3HZ LYS 20 -13.782 -2.193 -2.392 124 HZ2 LYS 20 1HZ LYS 20 -13.816 -1.227 -1.014 125 HZ3 LYS 20 2HZ LYS 20 -15.246 -1.727 -1.728 126 H ILE 21 H ILE 21 -9.026 -4.530 0.940 127 HA ILE 21 HA ILE 21 -9.689 -2.138 2.458 128 HB ILE 21 HB ILE 21 -9.893 -3.551 4.486 129 HG12 ILE 21 2HG1 ILE 21 -9.934 -5.951 2.657 130 HG13 ILE 21 1HG1 ILE 21 -8.491 -5.456 3.541 131 HG21 ILE 21 1HG2 ILE 21 -11.763 -4.341 2.265 132 HG22 ILE 21 2HG2 ILE 21 -11.901 -2.919 3.295 133 HG23 ILE 21 3HG2 ILE 21 -12.080 -4.531 3.989 134 HD11 ILE 21 3HD1 ILE 21 -11.130 -6.236 4.735 135 HD12 ILE 21 1HD1 ILE 21 -9.692 -5.700 5.606 136 HD13 ILE 21 2HD1 ILE 21 -9.649 -7.219 4.695 137 H GLY 22 H GLY 22 -8.120 -1.265 3.525 138 HA2 GLY 22 2HA GLY 22 -5.936 -0.714 4.025 139 HA3 GLY 22 1HA GLY 22 -5.722 -2.429 4.337 140 H TYR 23 H TYR 23 -3.813 -2.798 3.430 141 HA TYR 23 HA TYR 23 -3.492 -3.007 0.624 142 HB2 TYR 23 2HB TYR 23 -1.709 -1.360 0.333 143 HB3 TYR 23 1HB TYR 23 -3.138 -0.525 0.930 144 HD1 TYR 23 2HD TYR 23 -3.227 -0.045 3.480 145 HD2 TYR 23 1HD TYR 23 0.334 -1.136 1.436 146 HE1 TYR 23 2HE TYR 23 -1.895 0.869 5.325 147 HE2 TYR 23 1HE TYR 23 1.668 -0.230 3.275 148 HH TYR 23 HH TYR 23 1.392 1.435 4.985 149 H GLU 24 H GLU 24 -0.969 -3.543 0.325 150 HA GLU 24 HA GLU 24 0.208 -4.598 2.766 151 HB2 GLU 24 2HB GLU 24 0.704 -6.753 1.751 152 HB3 GLU 24 1HB GLU 24 -1.029 -6.492 1.701 153 HG2 GLU 24 2HG GLU 24 -0.802 -5.825 -0.695 154 HG3 GLU 24 1HG GLU 24 0.909 -6.177 -0.570 155 H CYS 25 H CYS 25 2.472 -4.628 2.648 156 HA CYS 25 HA CYS 25 3.578 -3.097 0.434 157 HB2 CYS 25 2HB CYS 25 4.939 -4.106 2.952 158 HB3 CYS 25 1HB CYS 25 5.622 -2.981 1.786 159 H LEU 26 H LEU 26 5.085 -3.952 -0.989 160 HA LEU 26 HA LEU 26 5.408 -6.872 -0.911 161 HB2 LEU 26 2HB LEU 26 5.537 -4.981 -3.259 162 HB3 LEU 26 1HB LEU 26 5.748 -6.715 -3.344 163 HG LEU 26 HG LEU 26 3.187 -5.250 -2.665 164 HD11 LEU 26 1HD1 LEU 26 4.060 -6.817 -5.080 165 HD12 LEU 26 2HD1 LEU 26 3.778 -5.077 -5.003 166 HD13 LEU 26 3HD1 LEU 26 2.434 -6.204 -4.808 167 HD21 LEU 26 3HD2 LEU 26 2.131 -7.426 -2.723 168 HD22 LEU 26 1HD2 LEU 26 3.371 -7.388 -1.470 169 HD23 LEU 26 2HD2 LEU 26 3.688 -8.201 -3.008 170 HN1 NH2 27 1H LEU 26 7.290 -7.040 0.191 171 HN2 NH2 27 2H LEU 26 8.787 -6.327 -0.299 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -9.313 8.432 0.083 2 H2 GLY 1 2HT GLY 1 -10.888 7.910 0.369 3 H3 GLY 1 3HT GLY 1 -10.586 9.022 -0.871 4 HA2 GLY 1 1HA GLY 1 -10.954 6.828 -1.762 5 HA3 GLY 1 2HA GLY 1 -9.301 7.359 -2.055 6 H THR 2 H THR 2 -10.170 4.632 -2.005 7 HA THR 2 HA THR 2 -9.050 3.755 0.522 8 HB THR 2 HB THR 2 -10.792 2.144 -1.380 9 HG1 THR 2 1HG THR 2 -11.692 3.115 1.094 10 HG21 THR 2 3HG2 THR 2 -9.406 0.818 0.161 11 HG22 THR 2 1HG2 THR 2 -11.115 0.684 0.591 12 HG23 THR 2 2HG2 THR 2 -10.024 1.737 1.514 13 H ASN 3 H ASN 3 -7.559 4.606 -1.663 14 HA ASN 3 HA ASN 3 -6.021 2.144 -2.148 15 HB2 ASN 3 2HB ASN 3 -6.758 3.239 -4.290 16 HB3 ASN 3 1HB ASN 3 -5.864 4.681 -3.824 17 HD21 ASN 3 1HD2 ASN 3 -5.549 2.873 -6.134 18 HD22 ASN 3 2HD2 ASN 3 -3.903 2.353 -6.075 19 H GLU 4 H GLU 4 -5.048 2.194 -0.281 20 HA GLU 4 HA GLU 4 -4.071 4.465 0.945 21 HB2 GLU 4 2HB GLU 4 -3.399 1.573 1.444 22 HB3 GLU 4 1HB GLU 4 -3.013 2.896 2.521 23 HG2 GLU 4 2HG GLU 4 -4.910 1.806 3.432 24 HG3 GLU 4 1HG GLU 4 -5.487 3.312 2.746 25 H CYS 5 H CYS 5 -2.743 2.417 -1.482 26 HA CYS 5 HA CYS 5 0.013 2.840 -0.854 27 HB2 CYS 5 2HB CYS 5 -1.327 1.714 -3.286 28 HB3 CYS 5 1HB CYS 5 0.413 1.798 -3.071 29 H LEU 6 H LEU 6 -2.320 4.412 -2.850 30 HA LEU 6 HA LEU 6 -0.476 5.988 -4.345 31 HB2 LEU 6 2HB LEU 6 -3.337 6.472 -3.604 32 HB3 LEU 6 1HB LEU 6 -2.419 7.594 -4.577 33 HG LEU 6 HG LEU 6 -3.159 4.745 -5.283 34 HD11 LEU 6 1HD1 LEU 6 -4.506 5.773 -7.037 35 HD12 LEU 6 2HD1 LEU 6 -4.062 7.372 -6.441 36 HD13 LEU 6 3HD1 LEU 6 -5.020 6.290 -5.431 37 HD21 LEU 6 3HD2 LEU 6 -2.179 5.232 -7.496 38 HD22 LEU 6 1HD2 LEU 6 -0.966 5.258 -6.215 39 HD23 LEU 6 2HD2 LEU 6 -1.584 6.771 -6.876 40 H ASP 7 H ASP 7 -1.783 6.226 -1.253 41 HA ASP 7 HA ASP 7 -0.813 8.929 -0.759 42 HB2 ASP 7 2HB ASP 7 -2.919 8.362 0.253 43 HB3 ASP 7 1HB ASP 7 -2.217 6.913 0.971 44 H ASN 8 H ASN 8 1.320 8.952 -0.718 45 HA ASN 8 HA ASN 8 3.479 8.853 0.128 46 HB2 ASN 8 2HB ASN 8 2.140 9.337 2.160 47 HB3 ASN 8 1HB ASN 8 2.186 7.635 2.574 48 HD21 ASN 8 1HD2 ASN 8 3.322 7.941 4.500 49 HD22 ASN 8 2HD2 ASN 8 4.967 8.429 4.568 50 H ASN 9 H ASN 9 2.209 6.625 -1.164 51 HA ASN 9 HA ASN 9 2.588 4.478 -1.921 52 HB2 ASN 9 2HB ASN 9 4.953 5.371 -2.183 53 HB3 ASN 9 1HB ASN 9 5.326 4.686 -0.606 54 HD21 ASN 9 1HD2 ASN 9 6.806 3.215 -1.295 55 HD22 ASN 9 2HD2 ASN 9 6.462 1.857 -2.285 56 H GLY 10 H GLY 10 1.249 4.832 0.491 57 HA2 GLY 10 2HA GLY 10 0.281 3.450 2.063 58 HA3 GLY 10 1HA GLY 10 1.358 2.167 1.537 59 H GLY 11 H GLY 11 3.134 4.883 2.207 60 HA2 GLY 11 2HA GLY 11 4.345 5.566 4.066 61 HA3 GLY 11 1HA GLY 11 3.503 4.352 5.029 62 H CYS 12 H CYS 12 4.659 3.155 2.064 63 HA CYS 12 HA CYS 12 6.789 1.855 3.529 64 HB2 CYS 12 2HB CYS 12 5.132 0.927 1.201 65 HB3 CYS 12 1HB CYS 12 6.500 0.034 1.860 66 H SER 13 H SER 13 8.771 1.698 2.736 67 HA SER 13 HA SER 13 9.622 3.389 0.575 68 HB2 SER 13 2HB SER 13 11.198 1.395 2.214 69 HB3 SER 13 1HB SER 13 11.809 2.797 1.324 70 HG SER 13 HG SER 13 10.464 4.060 2.712 71 H HIS 14 H HIS 14 8.778 0.134 1.235 72 HA HIS 14 HA HIS 14 9.972 -0.913 -1.215 73 HB2 HIS 14 2HB HIS 14 8.158 -2.323 0.764 74 HB3 HIS 14 1HB HIS 14 8.941 -3.075 -0.588 75 HD1 HIS 14 1HD HIS 14 11.485 -3.645 -0.381 76 HD2 HIS 14 2HD HIS 14 9.835 -1.892 2.998 77 HE1 HIS 14 1HE HIS 14 13.171 -3.926 1.421 78 HE2 HIS 14 2HE HIS 14 12.041 -3.091 3.488 79 H VAL 15 H VAL 15 8.310 -2.397 -2.396 80 HA VAL 15 HA VAL 15 6.463 -0.623 -3.632 81 HB VAL 15 HB VAL 15 6.742 -3.634 -3.931 82 HG11 VAL 15 1HG1 VAL 15 5.238 -1.663 -5.654 83 HG12 VAL 15 2HG1 VAL 15 4.519 -2.920 -4.646 84 HG13 VAL 15 3HG1 VAL 15 5.507 -3.361 -6.041 85 HG21 VAL 15 3HG2 VAL 15 7.929 -3.094 -5.992 86 HG22 VAL 15 1HG2 VAL 15 8.733 -2.379 -4.595 87 HG23 VAL 15 2HG2 VAL 15 7.746 -1.373 -5.653 88 H CYS 16 H CYS 16 4.351 -0.301 -3.297 89 HA CYS 16 HA CYS 16 3.108 -1.854 -1.168 90 HB2 CYS 16 2HB CYS 16 3.283 0.678 -0.926 91 HB3 CYS 16 1HB CYS 16 2.247 0.753 -2.345 92 H ASN 17 H ASN 17 1.594 -3.116 -1.690 93 HA ASN 17 HA ASN 17 0.464 -3.174 -4.406 94 HB2 ASN 17 2HB ASN 17 1.527 -5.288 -3.786 95 HB3 ASN 17 1HB ASN 17 0.656 -5.321 -2.262 96 HD21 ASN 17 1HD2 ASN 17 -0.230 -7.373 -2.705 97 HD22 ASN 17 2HD2 ASN 17 -1.462 -7.582 -3.889 98 H ASP 18 H ASP 18 -1.445 -2.288 -4.534 99 HA ASP 18 HA ASP 18 -2.871 -1.764 -2.104 100 HB2 ASP 18 2HB ASP 18 -2.862 0.072 -3.581 101 HB3 ASP 18 1HB ASP 18 -3.375 -0.919 -4.942 102 H LEU 19 H LEU 19 -3.818 -3.416 -1.282 103 HA LEU 19 HA LEU 19 -5.390 -5.282 -2.799 104 HB2 LEU 19 2HB LEU 19 -5.694 -4.711 0.148 105 HB3 LEU 19 1HB LEU 19 -6.107 -6.145 -0.711 106 HG LEU 19 HG LEU 19 -3.267 -5.277 -0.223 107 HD11 LEU 19 1HD1 LEU 19 -4.345 -5.980 1.819 108 HD12 LEU 19 2HD1 LEU 19 -3.215 -7.229 1.283 109 HD13 LEU 19 3HD1 LEU 19 -4.945 -7.432 1.026 110 HD21 LEU 19 3HD2 LEU 19 -2.694 -7.481 -1.085 111 HD22 LEU 19 1HD2 LEU 19 -3.529 -6.522 -2.304 112 HD23 LEU 19 2HD2 LEU 19 -4.394 -7.796 -1.440 113 H LYS 20 H LYS 20 -7.817 -5.363 -2.436 114 HA LYS 20 HA LYS 20 -8.980 -2.860 -3.076 115 HB2 LYS 20 2HB LYS 20 -9.928 -5.234 -3.490 116 HB3 LYS 20 1HB LYS 20 -10.452 -5.191 -1.821 117 HG2 LYS 20 2HG LYS 20 -12.385 -4.527 -2.822 118 HG3 LYS 20 1HG LYS 20 -11.621 -2.954 -2.621 119 HD2 LYS 20 2HD LYS 20 -11.440 -4.607 -5.151 120 HD3 LYS 20 1HD LYS 20 -12.654 -3.372 -4.887 121 HE2 LYS 20 2HE LYS 20 -9.664 -2.883 -4.914 122 HE3 LYS 20 1HE LYS 20 -10.735 -2.638 -6.279 123 HZ1 LYS 20 3HZ LYS 20 -10.346 -0.558 -5.166 124 HZ2 LYS 20 1HZ LYS 20 -10.911 -1.164 -3.695 125 HZ3 LYS 20 2HZ LYS 20 -11.954 -1.005 -4.994 126 H ILE 21 H ILE 21 -9.076 -4.787 -0.146 127 HA ILE 21 HA ILE 21 -9.661 -2.347 1.332 128 HB ILE 21 HB ILE 21 -10.292 -3.843 3.245 129 HG12 ILE 21 2HG1 ILE 21 -10.383 -6.032 1.163 130 HG13 ILE 21 1HG1 ILE 21 -9.093 -5.873 2.350 131 HG21 ILE 21 1HG2 ILE 21 -11.918 -4.089 0.729 132 HG22 ILE 21 2HG2 ILE 21 -11.990 -2.781 1.913 133 HG23 ILE 21 3HG2 ILE 21 -12.503 -4.410 2.360 134 HD11 ILE 21 3HD1 ILE 21 -10.707 -6.137 4.120 135 HD12 ILE 21 1HD1 ILE 21 -10.725 -7.529 3.032 136 HD13 ILE 21 2HD1 ILE 21 -12.003 -6.302 2.932 137 H GLY 22 H GLY 22 -8.338 -1.741 2.853 138 HA2 GLY 22 2HA GLY 22 -6.249 -1.393 3.758 139 HA3 GLY 22 1HA GLY 22 -6.089 -3.148 3.780 140 H TYR 23 H TYR 23 -3.910 -2.975 3.205 141 HA TYR 23 HA TYR 23 -3.446 -3.034 0.411 142 HB2 TYR 23 2HB TYR 23 -1.677 -1.335 0.351 143 HB3 TYR 23 1HB TYR 23 -3.198 -0.602 0.828 144 HD1 TYR 23 1HD TYR 23 -3.530 -0.054 3.307 145 HD2 TYR 23 2HD TYR 23 0.237 -1.151 1.693 146 HE1 TYR 23 1HE TYR 23 -2.408 0.968 5.241 147 HE2 TYR 23 2HE TYR 23 1.364 -0.143 3.615 148 HH TYR 23 HH TYR 23 0.895 1.599 5.241 149 H GLU 24 H GLU 24 -0.928 -3.456 0.140 150 HA GLU 24 HA GLU 24 0.074 -5.062 2.361 151 HB2 GLU 24 2HB GLU 24 -1.257 -6.582 1.084 152 HB3 GLU 24 1HB GLU 24 -0.578 -6.005 -0.424 153 HG2 GLU 24 2HG GLU 24 1.570 -6.976 0.176 154 HG3 GLU 24 1HG GLU 24 0.890 -7.528 1.707 155 H CYS 25 H CYS 25 2.086 -4.185 2.612 156 HA CYS 25 HA CYS 25 3.534 -3.276 0.281 157 HB2 CYS 25 2HB CYS 25 4.271 -3.257 3.204 158 HB3 CYS 25 1HB CYS 25 5.280 -2.594 1.920 159 H LEU 26 H LEU 26 5.232 -4.185 -0.625 160 HA LEU 26 HA LEU 26 5.990 -6.874 0.308 161 HB2 LEU 26 2HB LEU 26 5.712 -5.858 -2.518 162 HB3 LEU 26 1HB LEU 26 6.224 -7.472 -2.064 163 HG LEU 26 HG LEU 26 3.514 -6.286 -1.497 164 HD11 LEU 26 1HD1 LEU 26 3.892 -6.605 -3.877 165 HD12 LEU 26 2HD1 LEU 26 2.712 -7.755 -3.253 166 HD13 LEU 26 3HD1 LEU 26 4.369 -8.278 -3.581 167 HD21 LEU 26 3HD2 LEU 26 2.897 -8.595 -0.930 168 HD22 LEU 26 1HD2 LEU 26 4.169 -7.985 0.126 169 HD23 LEU 26 2HD2 LEU 26 4.570 -9.100 -1.178 170 HN1 NH2 27 1H LEU 26 7.377 -5.311 -2.476 171 HN2 NH2 27 2H LEU 26 8.920 -4.986 -1.789 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -12.778 2.260 -4.661 2 H2 GLY 1 2HT GLY 1 -11.275 2.973 -5.026 3 H3 GLY 1 3HT GLY 1 -12.462 3.856 -4.210 4 HA2 GLY 1 1HA GLY 1 -12.305 2.420 -2.323 5 HA3 GLY 1 2HA GLY 1 -11.095 1.463 -3.172 6 H THR 2 H THR 2 -10.369 2.417 -0.805 7 HA THR 2 HA THR 2 -9.092 4.984 -1.001 8 HB THR 2 HB THR 2 -8.693 2.842 1.093 9 HG1 THR 2 1HG THR 2 -10.954 4.182 0.376 10 HG21 THR 2 3HG2 THR 2 -7.262 4.855 1.206 11 HG22 THR 2 1HG2 THR 2 -8.381 4.757 2.566 12 HG23 THR 2 2HG2 THR 2 -8.718 5.859 1.239 13 H ASN 3 H ASN 3 -7.171 5.169 -2.056 14 HA ASN 3 HA ASN 3 -5.560 2.765 -2.537 15 HB2 ASN 3 2HB ASN 3 -6.336 4.262 -4.440 16 HB3 ASN 3 1HB ASN 3 -5.267 5.493 -3.813 17 HD21 ASN 3 1HD2 ASN 3 -4.572 2.102 -3.939 18 HD22 ASN 3 2HD2 ASN 3 -3.265 2.176 -5.071 19 H GLU 4 H GLU 4 -4.719 2.771 -0.401 20 HA GLU 4 HA GLU 4 -3.487 4.818 0.993 21 HB2 GLU 4 2HB GLU 4 -2.818 1.893 0.931 22 HB3 GLU 4 1HB GLU 4 -1.964 3.011 1.969 23 HG2 GLU 4 2HG GLU 4 -3.631 1.867 3.233 24 HG3 GLU 4 1HG GLU 4 -4.093 3.550 3.082 25 H CYS 5 H CYS 5 -2.146 2.863 -1.529 26 HA CYS 5 HA CYS 5 0.553 3.436 -1.310 27 HB2 CYS 5 2HB CYS 5 -1.061 2.873 -3.763 28 HB3 CYS 5 1HB CYS 5 0.686 2.799 -3.638 29 H LEU 6 H LEU 6 -1.952 5.378 -2.563 30 HA LEU 6 HA LEU 6 -0.430 7.218 -4.084 31 HB2 LEU 6 2HB LEU 6 -3.048 7.480 -2.655 32 HB3 LEU 6 1HB LEU 6 -2.350 8.823 -3.545 33 HG LEU 6 HG LEU 6 -3.294 6.154 -4.620 34 HD11 LEU 6 1HD1 LEU 6 -4.978 7.507 -5.751 35 HD12 LEU 6 2HD1 LEU 6 -4.336 8.962 -4.991 36 HD13 LEU 6 3HD1 LEU 6 -5.078 7.706 -4.001 37 HD21 LEU 6 3HD2 LEU 6 -1.350 6.899 -5.906 38 HD22 LEU 6 1HD2 LEU 6 -2.062 8.506 -6.082 39 HD23 LEU 6 2HD2 LEU 6 -2.823 7.113 -6.844 40 H ASP 7 H ASP 7 -1.129 7.022 -0.662 41 HA ASP 7 HA ASP 7 0.130 9.624 -0.220 42 HB2 ASP 7 2HB ASP 7 -2.034 9.276 0.897 43 HB3 ASP 7 1HB ASP 7 -1.378 7.865 1.722 44 H ASN 8 H ASN 8 2.223 9.405 -0.251 45 HA ASN 8 HA ASN 8 4.342 8.887 0.327 46 HB2 ASN 8 2HB ASN 8 3.064 7.956 2.899 47 HB3 ASN 8 1HB ASN 8 4.793 8.091 2.590 48 HD21 ASN 8 1HD2 ASN 8 1.833 9.825 3.212 49 HD22 ASN 8 2HD2 ASN 8 2.572 11.363 3.438 50 H ASN 9 H ASN 9 2.913 7.044 -1.096 51 HA ASN 9 HA ASN 9 3.091 4.955 -2.056 52 HB2 ASN 9 2HB ASN 9 5.581 5.526 -1.864 53 HB3 ASN 9 1HB ASN 9 5.597 4.582 -0.382 54 HD21 ASN 9 1HD2 ASN 9 6.945 3.038 -1.073 55 HD22 ASN 9 2HD2 ASN 9 6.607 1.872 -2.287 56 H GLY 10 H GLY 10 1.685 5.401 0.452 57 HA2 GLY 10 2HA GLY 10 0.312 4.070 1.723 58 HA3 GLY 10 1HA GLY 10 1.165 2.654 1.124 59 H GLY 11 H GLY 11 3.552 4.606 2.091 60 HA2 GLY 11 2HA GLY 11 4.635 4.864 4.149 61 HA3 GLY 11 1HA GLY 11 3.514 3.702 4.865 62 H CYS 12 H CYS 12 4.439 2.641 1.856 63 HA CYS 12 HA CYS 12 6.155 0.619 3.009 64 HB2 CYS 12 2HB CYS 12 5.129 0.942 0.178 65 HB3 CYS 12 1HB CYS 12 5.862 -0.500 0.866 66 H SER 13 H SER 13 8.330 0.482 2.574 67 HA SER 13 HA SER 13 9.597 2.641 1.136 68 HB2 SER 13 2HB SER 13 11.638 1.386 2.004 69 HB3 SER 13 1HB SER 13 10.584 2.101 3.233 70 HG SER 13 HG SER 13 11.332 -0.203 3.402 71 H HIS 14 H HIS 14 8.602 -0.550 0.789 72 HA HIS 14 HA HIS 14 10.119 -0.959 -1.691 73 HB2 HIS 14 2HB HIS 14 8.465 -2.924 -0.058 74 HB3 HIS 14 1HB HIS 14 9.313 -3.327 -1.536 75 HD1 HIS 14 1HD HIS 14 11.908 -3.684 -1.352 76 HD2 HIS 14 2HD HIS 14 10.052 -2.737 2.255 77 HE1 HIS 14 1HE HIS 14 13.554 -4.260 0.434 78 HE2 HIS 14 2HE HIS 14 12.363 -3.795 2.606 79 H VAL 15 H VAL 15 8.282 -2.628 -3.007 80 HA VAL 15 HA VAL 15 6.503 -0.795 -4.148 81 HB VAL 15 HB VAL 15 6.461 -3.829 -4.244 82 HG11 VAL 15 1HG1 VAL 15 4.255 -2.981 -4.827 83 HG12 VAL 15 2HG1 VAL 15 5.081 -3.562 -6.278 84 HG13 VAL 15 3HG1 VAL 15 4.978 -1.833 -5.951 85 HG21 VAL 15 3HG2 VAL 15 7.498 -1.786 -6.192 86 HG22 VAL 15 1HG2 VAL 15 7.484 -3.531 -6.440 87 HG23 VAL 15 2HG2 VAL 15 8.477 -2.828 -5.162 88 H CYS 16 H CYS 16 4.471 -0.224 -3.701 89 HA CYS 16 HA CYS 16 3.213 -1.342 -1.321 90 HB2 CYS 16 2HB CYS 16 3.346 1.149 -1.542 91 HB3 CYS 16 1HB CYS 16 2.396 1.022 -3.020 92 H ASN 17 H ASN 17 1.251 -2.320 -1.373 93 HA ASN 17 HA ASN 17 0.053 -2.893 -3.995 94 HB2 ASN 17 2HB ASN 17 1.296 -4.885 -3.278 95 HB3 ASN 17 1HB ASN 17 0.473 -4.859 -1.724 96 HD21 ASN 17 1HD2 ASN 17 -0.262 -6.974 -2.094 97 HD22 ASN 17 2HD2 ASN 17 -1.550 -7.339 -3.171 98 H ASP 18 H ASP 18 -1.736 -1.792 -3.917 99 HA ASP 18 HA ASP 18 -3.130 -1.418 -1.417 100 HB2 ASP 18 2HB ASP 18 -2.989 0.549 -2.706 101 HB3 ASP 18 1HB ASP 18 -3.520 -0.273 -4.164 102 H LEU 19 H LEU 19 -4.680 -2.590 -0.767 103 HA LEU 19 HA LEU 19 -5.991 -4.360 -2.674 104 HB2 LEU 19 2HB LEU 19 -5.912 -4.534 0.329 105 HB3 LEU 19 1HB LEU 19 -6.585 -5.713 -0.763 106 HG LEU 19 HG LEU 19 -3.654 -5.039 -0.531 107 HD11 LEU 19 1HD1 LEU 19 -3.452 -7.257 0.443 108 HD12 LEU 19 2HD1 LEU 19 -5.203 -7.457 0.359 109 HD13 LEU 19 3HD1 LEU 19 -4.506 -6.220 1.405 110 HD21 LEU 19 3HD2 LEU 19 -4.238 -5.714 -2.793 111 HD22 LEU 19 1HD2 LEU 19 -5.075 -7.135 -2.169 112 HD23 LEU 19 2HD2 LEU 19 -3.328 -6.989 -1.985 113 H LYS 20 H LYS 20 -8.288 -4.764 -2.109 114 HA LYS 20 HA LYS 20 -9.743 -2.345 -2.024 115 HB2 LYS 20 2HB LYS 20 -10.690 -5.211 -1.712 116 HB3 LYS 20 1HB LYS 20 -11.768 -3.833 -1.844 117 HG2 LYS 20 2HG LYS 20 -10.996 -3.352 -4.058 118 HG3 LYS 20 1HG LYS 20 -9.741 -4.582 -3.941 119 HD2 LYS 20 2HD LYS 20 -11.417 -6.324 -3.848 120 HD3 LYS 20 1HD LYS 20 -12.704 -5.118 -3.803 121 HE2 LYS 20 2HE LYS 20 -12.420 -6.119 -6.040 122 HE3 LYS 20 1HE LYS 20 -12.155 -4.380 -6.033 123 HZ1 LYS 20 3HZ LYS 20 -9.995 -6.429 -5.999 124 HZ2 LYS 20 1HZ LYS 20 -9.774 -4.763 -6.098 125 HZ3 LYS 20 2HZ LYS 20 -10.504 -5.593 -7.362 126 H ILE 21 H ILE 21 -9.105 -4.826 0.363 127 HA ILE 21 HA ILE 21 -9.926 -2.842 2.325 128 HB ILE 21 HB ILE 21 -10.035 -4.621 4.030 129 HG12 ILE 21 2HG1 ILE 21 -9.792 -6.625 1.783 130 HG13 ILE 21 1HG1 ILE 21 -8.441 -6.194 2.833 131 HG21 ILE 21 1HG2 ILE 21 -12.099 -5.681 3.253 132 HG22 ILE 21 2HG2 ILE 21 -11.756 -5.114 1.616 133 HG23 ILE 21 3HG2 ILE 21 -12.052 -3.951 2.910 134 HD11 ILE 21 3HD1 ILE 21 -9.486 -8.225 3.589 135 HD12 ILE 21 1HD1 ILE 21 -11.053 -7.392 3.689 136 HD13 ILE 21 2HD1 ILE 21 -9.725 -6.897 4.740 137 H GLY 22 H GLY 22 -8.514 -2.017 3.558 138 HA2 GLY 22 2HA GLY 22 -6.416 -1.255 4.199 139 HA3 GLY 22 1HA GLY 22 -6.030 -2.964 4.351 140 H TYR 23 H TYR 23 -4.057 -3.040 3.545 141 HA TYR 23 HA TYR 23 -3.589 -3.187 0.782 142 HB2 TYR 23 2HB TYR 23 -2.069 -1.326 0.456 143 HB3 TYR 23 1HB TYR 23 -3.551 -0.641 1.110 144 HD1 TYR 23 2HD TYR 23 -3.539 -0.409 3.778 145 HD2 TYR 23 1HD TYR 23 -0.066 -0.669 1.341 146 HE1 TYR 23 2HE TYR 23 -2.215 0.632 5.560 147 HE2 TYR 23 1HE TYR 23 1.260 0.362 3.115 148 HH TYR 23 HH TYR 23 0.852 1.853 5.017 149 H GLU 24 H GLU 24 -0.935 -3.341 0.643 150 HA GLU 24 HA GLU 24 0.271 -4.056 3.137 151 HB2 GLU 24 2HB GLU 24 0.898 -6.329 2.472 152 HB3 GLU 24 1HB GLU 24 -0.843 -6.161 2.570 153 HG2 GLU 24 2HG GLU 24 -0.952 -6.023 0.117 154 HG3 GLU 24 1HG GLU 24 0.801 -6.156 0.062 155 H CYS 25 H CYS 25 2.599 -4.638 2.756 156 HA CYS 25 HA CYS 25 3.564 -3.068 0.486 157 HB2 CYS 25 2HB CYS 25 4.950 -3.691 3.100 158 HB3 CYS 25 1HB CYS 25 5.578 -2.681 1.803 159 H LEU 26 H LEU 26 4.795 -4.031 -0.971 160 HA LEU 26 HA LEU 26 5.473 -6.845 -0.563 161 HB2 LEU 26 2HB LEU 26 5.130 -5.252 -3.102 162 HB3 LEU 26 1HB LEU 26 5.544 -6.948 -3.020 163 HG LEU 26 HG LEU 26 2.922 -5.748 -2.117 164 HD11 LEU 26 1HD1 LEU 26 2.014 -6.892 -4.076 165 HD12 LEU 26 2HD1 LEU 26 3.645 -7.379 -4.545 166 HD13 LEU 26 3HD1 LEU 26 3.204 -5.672 -4.526 167 HD21 LEU 26 3HD2 LEU 26 3.510 -7.743 -0.830 168 HD22 LEU 26 1HD2 LEU 26 3.822 -8.624 -2.327 169 HD23 LEU 26 2HD2 LEU 26 2.189 -8.082 -1.947 170 HN1 NH2 27 1H LEU 26 7.427 -6.610 0.385 171 HN2 NH2 27 2H LEU 26 8.803 -5.874 -0.354 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -12.960 3.007 -2.937 2 H2 GLY 1 2HT GLY 1 -13.304 1.366 -2.599 3 H3 GLY 1 3HT GLY 1 -11.846 1.807 -3.332 4 HA2 GLY 1 1HA GLY 1 -12.634 2.600 -0.620 5 HA3 GLY 1 2HA GLY 1 -11.537 1.281 -1.023 6 H THR 2 H THR 2 -10.398 3.015 0.512 7 HA THR 2 HA THR 2 -9.256 5.268 -0.807 8 HB THR 2 HB THR 2 -8.545 3.866 1.780 9 HG1 THR 2 1HG THR 2 -9.766 6.277 2.017 10 HG21 THR 2 3HG2 THR 2 -7.470 6.003 2.399 11 HG22 THR 2 1HG2 THR 2 -7.843 6.635 0.795 12 HG23 THR 2 2HG2 THR 2 -6.717 5.292 0.969 13 H ASN 3 H ASN 3 -7.447 5.214 -2.050 14 HA ASN 3 HA ASN 3 -5.785 2.822 -2.092 15 HB2 ASN 3 2HB ASN 3 -6.383 3.985 -4.251 16 HB3 ASN 3 1HB ASN 3 -5.529 5.402 -3.672 17 HD21 ASN 3 1HD2 ASN 3 -5.088 3.814 -6.029 18 HD22 ASN 3 2HD2 ASN 3 -3.448 3.268 -5.952 19 H GLU 4 H GLU 4 -4.615 2.799 -0.232 20 HA GLU 4 HA GLU 4 -3.511 5.220 0.801 21 HB2 GLU 4 2HB GLU 4 -2.911 2.415 1.731 22 HB3 GLU 4 1HB GLU 4 -2.659 3.905 2.618 23 HG2 GLU 4 2HG GLU 4 -4.563 3.197 3.628 24 HG3 GLU 4 1HG GLU 4 -5.282 4.104 2.303 25 H CYS 5 H CYS 5 -2.496 2.980 -1.508 26 HA CYS 5 HA CYS 5 0.311 3.171 -0.897 27 HB2 CYS 5 2HB CYS 5 -1.151 1.921 -3.184 28 HB3 CYS 5 1HB CYS 5 0.602 1.977 -3.072 29 H LEU 6 H LEU 6 -1.864 4.848 -2.939 30 HA LEU 6 HA LEU 6 0.194 6.090 -4.491 31 HB2 LEU 6 2HB LEU 6 -1.483 7.656 -5.250 32 HB3 LEU 6 1HB LEU 6 -2.030 5.967 -5.307 33 HG LEU 6 HG LEU 6 -3.467 6.512 -3.289 34 HD11 LEU 6 1HD1 LEU 6 -4.055 8.837 -2.888 35 HD12 LEU 6 2HD1 LEU 6 -2.843 9.361 -4.058 36 HD13 LEU 6 3HD1 LEU 6 -2.340 8.571 -2.562 37 HD21 LEU 6 3HD2 LEU 6 -3.984 7.992 -5.854 38 HD22 LEU 6 1HD2 LEU 6 -5.191 7.591 -4.635 39 HD23 LEU 6 2HD2 LEU 6 -4.371 6.305 -5.519 40 H ASP 7 H ASP 7 -1.238 6.574 -1.702 41 HA ASP 7 HA ASP 7 -0.163 9.244 -1.148 42 HB2 ASP 7 2HB ASP 7 -2.405 8.767 -0.321 43 HB3 ASP 7 1HB ASP 7 -1.778 7.418 0.622 44 H ASN 8 H ASN 8 1.951 9.192 -0.878 45 HA ASN 8 HA ASN 8 3.996 8.972 0.143 46 HB2 ASN 8 2HB ASN 8 2.554 9.599 2.038 47 HB3 ASN 8 1HB ASN 8 2.390 7.910 2.473 48 HD21 ASN 8 1HD2 ASN 8 3.365 8.067 4.443 49 HD22 ASN 8 2HD2 ASN 8 5.039 8.427 4.691 50 H ASN 9 H ASN 9 2.744 6.850 -1.249 51 HA ASN 9 HA ASN 9 3.050 4.663 -1.977 52 HB2 ASN 9 2HB ASN 9 5.475 5.599 -1.956 53 HB3 ASN 9 1HB ASN 9 5.649 4.709 -0.447 54 HD21 ASN 9 1HD2 ASN 9 5.927 2.510 -0.531 55 HD22 ASN 9 2HD2 ASN 9 6.180 1.613 -1.965 56 H GLY 10 H GLY 10 1.566 5.060 0.395 57 HA2 GLY 10 2HA GLY 10 0.491 3.729 1.929 58 HA3 GLY 10 1HA GLY 10 1.495 2.386 1.408 59 H GLY 11 H GLY 11 3.521 4.864 2.187 60 HA2 GLY 11 2HA GLY 11 4.733 5.420 4.064 61 HA3 GLY 11 1HA GLY 11 3.657 4.407 5.025 62 H CYS 12 H CYS 12 4.648 2.742 2.350 63 HA CYS 12 HA CYS 12 6.534 1.209 3.971 64 HB2 CYS 12 2HB CYS 12 4.962 0.482 1.489 65 HB3 CYS 12 1HB CYS 12 6.080 -0.598 2.311 66 H SER 13 H SER 13 8.628 0.918 3.296 67 HA SER 13 HA SER 13 9.632 2.803 1.446 68 HB2 SER 13 2HB SER 13 11.785 1.583 2.120 69 HB3 SER 13 1HB SER 13 10.898 2.448 3.379 70 HG SER 13 HG SER 13 11.613 0.248 3.827 71 H HIS 14 H HIS 14 8.486 -0.363 1.172 72 HA HIS 14 HA HIS 14 9.974 -0.711 -1.311 73 HB2 HIS 14 2HB HIS 14 8.732 -2.829 0.458 74 HB3 HIS 14 1HB HIS 14 9.476 -3.146 -1.101 75 HD1 HIS 14 1HD HIS 14 10.291 -2.426 2.447 76 HD2 HIS 14 2HD HIS 14 12.264 -2.917 -1.165 77 HE1 HIS 14 1HE HIS 14 12.718 -2.639 3.033 78 HE2 HIS 14 2HE HIS 14 13.907 -2.780 0.820 79 H VAL 15 H VAL 15 8.317 -2.666 -2.478 80 HA VAL 15 HA VAL 15 6.511 -1.048 -3.803 81 HB VAL 15 HB VAL 15 6.589 -4.068 -3.618 82 HG11 VAL 15 1HG1 VAL 15 5.253 -4.104 -5.665 83 HG12 VAL 15 2HG1 VAL 15 5.106 -2.346 -5.611 84 HG13 VAL 15 3HG1 VAL 15 4.364 -3.331 -4.352 85 HG21 VAL 15 3HG2 VAL 15 7.687 -3.900 -5.814 86 HG22 VAL 15 1HG2 VAL 15 8.599 -3.093 -4.537 87 HG23 VAL 15 2HG2 VAL 15 7.645 -2.143 -5.676 88 H CYS 16 H CYS 16 4.516 -0.409 -3.404 89 HA CYS 16 HA CYS 16 3.035 -1.718 -1.235 90 HB2 CYS 16 2HB CYS 16 3.632 0.808 -1.068 91 HB3 CYS 16 1HB CYS 16 2.502 0.987 -2.410 92 H ASN 17 H ASN 17 1.184 -2.627 -1.821 93 HA ASN 17 HA ASN 17 0.185 -2.072 -4.511 94 HB2 ASN 17 2HB ASN 17 1.284 -4.277 -4.546 95 HB3 ASN 17 1HB ASN 17 0.298 -4.804 -3.190 96 HD21 ASN 17 1HD2 ASN 17 -1.820 -5.419 -3.563 97 HD22 ASN 17 2HD2 ASN 17 -2.469 -5.600 -5.146 98 H ASP 18 H ASP 18 -1.628 -1.129 -4.329 99 HA ASP 18 HA ASP 18 -3.075 -1.034 -1.898 100 HB2 ASP 18 2HB ASP 18 -3.134 0.926 -3.228 101 HB3 ASP 18 1HB ASP 18 -3.689 0.035 -4.640 102 H LEU 19 H LEU 19 -4.675 -2.140 -1.185 103 HA LEU 19 HA LEU 19 -5.895 -4.113 -2.966 104 HB2 LEU 19 2HB LEU 19 -5.767 -4.183 0.041 105 HB3 LEU 19 1HB LEU 19 -6.367 -5.421 -1.021 106 HG LEU 19 HG LEU 19 -3.479 -4.583 -0.857 107 HD11 LEU 19 1HD1 LEU 19 -3.187 -6.799 0.172 108 HD12 LEU 19 2HD1 LEU 19 -4.946 -6.968 0.221 109 HD13 LEU 19 3HD1 LEU 19 -4.155 -5.697 1.148 110 HD21 LEU 19 3HD2 LEU 19 -4.082 -5.384 -3.074 111 HD22 LEU 19 1HD2 LEU 19 -4.824 -6.821 -2.370 112 HD23 LEU 19 2HD2 LEU 19 -3.085 -6.569 -2.235 113 H LYS 20 H LYS 20 -8.169 -4.586 -2.332 114 HA LYS 20 HA LYS 20 -9.657 -2.208 -2.312 115 HB2 LYS 20 2HB LYS 20 -10.509 -5.079 -1.908 116 HB3 LYS 20 1HB LYS 20 -11.653 -3.744 -2.021 117 HG2 LYS 20 2HG LYS 20 -10.883 -3.201 -4.234 118 HG3 LYS 20 1HG LYS 20 -9.629 -4.433 -4.123 119 HD2 LYS 20 2HD LYS 20 -11.289 -6.172 -4.100 120 HD3 LYS 20 1HD LYS 20 -12.583 -4.976 -4.021 121 HE2 LYS 20 2HE LYS 20 -12.312 -5.856 -6.297 122 HE3 LYS 20 1HE LYS 20 -11.980 -4.131 -6.222 123 HZ1 LYS 20 3HZ LYS 20 -9.968 -6.326 -6.413 124 HZ2 LYS 20 1HZ LYS 20 -9.559 -4.698 -6.227 125 HZ3 LYS 20 2HZ LYS 20 -10.359 -5.198 -7.590 126 H ILE 21 H ILE 21 -9.100 -4.576 0.219 127 HA ILE 21 HA ILE 21 -9.692 -2.393 2.009 128 HB ILE 21 HB ILE 21 -9.975 -4.107 3.880 129 HG12 ILE 21 2HG1 ILE 21 -10.963 -6.334 3.078 130 HG13 ILE 21 1HG1 ILE 21 -10.156 -6.035 1.549 131 HG21 ILE 21 1HG2 ILE 21 -12.035 -4.018 1.713 132 HG22 ILE 21 2HG2 ILE 21 -11.830 -2.886 3.051 133 HG23 ILE 21 3HG2 ILE 21 -12.327 -4.547 3.370 134 HD11 ILE 21 3HD1 ILE 21 -7.998 -6.047 2.731 135 HD12 ILE 21 1HD1 ILE 21 -8.881 -7.557 2.947 136 HD13 ILE 21 2HD1 ILE 21 -8.844 -6.365 4.245 137 H GLY 22 H GLY 22 -8.187 -1.545 3.135 138 HA2 GLY 22 2HA GLY 22 -6.084 -1.103 3.876 139 HA3 GLY 22 1HA GLY 22 -5.814 -2.842 3.927 140 H TYR 23 H TYR 23 -3.828 -2.891 3.075 141 HA TYR 23 HA TYR 23 -3.520 -2.857 0.289 142 HB2 TYR 23 2HB TYR 23 -1.726 -1.142 0.180 143 HB3 TYR 23 1HB TYR 23 -3.265 -0.430 0.623 144 HD1 TYR 23 1HD TYR 23 -3.634 0.252 3.034 145 HD2 TYR 23 2HD TYR 23 0.167 -0.948 1.577 146 HE1 TYR 23 1HE TYR 23 -2.560 1.353 4.948 147 HE2 TYR 23 2HE TYR 23 1.248 0.139 3.489 148 HH TYR 23 HH TYR 23 0.783 1.898 5.007 149 H GLU 24 H GLU 24 -1.218 -3.602 -0.200 150 HA GLU 24 HA GLU 24 -0.097 -4.939 2.153 151 HB2 GLU 24 2HB GLU 24 0.501 -6.861 0.808 152 HB3 GLU 24 1HB GLU 24 -1.219 -6.579 0.635 153 HG2 GLU 24 2HG GLU 24 -0.834 -5.567 -1.560 154 HG3 GLU 24 1HG GLU 24 0.899 -5.776 -1.343 155 H CYS 25 H CYS 25 2.177 -5.227 2.084 156 HA CYS 25 HA CYS 25 3.489 -3.496 0.148 157 HB2 CYS 25 2HB CYS 25 4.086 -3.614 3.112 158 HB3 CYS 25 1HB CYS 25 5.049 -2.732 1.927 159 H LEU 26 H LEU 26 5.050 -4.347 -0.869 160 HA LEU 26 HA LEU 26 6.110 -6.948 0.003 161 HB2 LEU 26 2HB LEU 26 5.636 -5.916 -2.793 162 HB3 LEU 26 1HB LEU 26 6.367 -7.455 -2.392 163 HG LEU 26 HG LEU 26 3.505 -6.675 -1.784 164 HD11 LEU 26 1HD1 LEU 26 3.914 -6.947 -4.161 165 HD12 LEU 26 2HD1 LEU 26 2.945 -8.280 -3.528 166 HD13 LEU 26 3HD1 LEU 26 4.662 -8.515 -3.863 167 HD21 LEU 26 3HD2 LEU 26 4.978 -9.292 -1.460 168 HD22 LEU 26 1HD2 LEU 26 3.250 -9.040 -1.200 169 HD23 LEU 26 2HD2 LEU 26 4.424 -8.246 -0.153 170 HN1 NH2 27 1H LEU 26 7.823 -5.974 1.030 171 HN2 NH2 27 2H LEU 26 9.113 -5.198 0.197 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -11.427 5.358 -4.307 2 H2 GLY 1 2HT GLY 1 -12.377 5.094 -2.950 3 H3 GLY 1 3HT GLY 1 -12.714 4.256 -4.409 4 HA2 GLY 1 1HA GLY 1 -11.596 2.831 -2.831 5 HA3 GLY 1 2HA GLY 1 -10.586 3.160 -4.241 6 H THR 2 H THR 2 -10.533 2.952 -0.983 7 HA THR 2 HA THR 2 -8.933 5.237 -0.393 8 HB THR 2 HB THR 2 -9.239 2.744 1.300 9 HG1 THR 2 1HG THR 2 -11.292 3.224 1.406 10 HG21 THR 2 3HG2 THR 2 -7.619 4.442 2.053 11 HG22 THR 2 1HG2 THR 2 -9.008 4.369 3.138 12 HG23 THR 2 2HG2 THR 2 -8.874 5.678 1.965 13 H ASN 3 H ASN 3 -7.244 5.102 -1.749 14 HA ASN 3 HA ASN 3 -5.612 2.718 -1.943 15 HB2 ASN 3 2HB ASN 3 -6.241 4.077 -3.946 16 HB3 ASN 3 1HB ASN 3 -5.317 5.413 -3.282 17 HD21 ASN 3 1HD2 ASN 3 -4.941 4.096 -5.778 18 HD22 ASN 3 2HD2 ASN 3 -3.341 3.450 -5.752 19 H GLU 4 H GLU 4 -4.267 2.450 -0.330 20 HA GLU 4 HA GLU 4 -3.215 4.542 1.276 21 HB2 GLU 4 2HB GLU 4 -2.486 1.636 1.020 22 HB3 GLU 4 1HB GLU 4 -1.665 2.721 2.122 23 HG2 GLU 4 2HG GLU 4 -3.325 1.403 3.286 24 HG3 GLU 4 1HG GLU 4 -3.741 3.107 3.312 25 H CYS 5 H CYS 5 -2.061 2.781 -1.480 26 HA CYS 5 HA CYS 5 0.687 3.428 -1.304 27 HB2 CYS 5 2HB CYS 5 -0.968 2.642 -3.672 28 HB3 CYS 5 1HB CYS 5 0.786 2.578 -3.564 29 H LEU 6 H LEU 6 -2.022 4.965 -2.691 30 HA LEU 6 HA LEU 6 -0.673 6.838 -4.372 31 HB2 LEU 6 2HB LEU 6 -3.202 6.030 -4.094 32 HB3 LEU 6 1HB LEU 6 -3.288 7.445 -3.088 33 HG LEU 6 HG LEU 6 -4.133 7.864 -5.364 34 HD11 LEU 6 1HD1 LEU 6 -2.908 9.897 -5.871 35 HD12 LEU 6 2HD1 LEU 6 -1.635 9.405 -4.750 36 HD13 LEU 6 3HD1 LEU 6 -3.257 9.749 -4.148 37 HD21 LEU 6 3HD2 LEU 6 -1.309 7.320 -6.256 38 HD22 LEU 6 1HD2 LEU 6 -2.620 7.921 -7.264 39 HD23 LEU 6 2HD2 LEU 6 -2.714 6.304 -6.566 40 H ASP 7 H ASP 7 -1.311 6.581 -1.053 41 HA ASP 7 HA ASP 7 -0.648 9.369 -0.457 42 HB2 ASP 7 2HB ASP 7 -2.656 8.415 0.610 43 HB3 ASP 7 1HB ASP 7 -1.657 7.139 1.292 44 H ASN 8 H ASN 8 1.521 9.279 -0.891 45 HA ASN 8 HA ASN 8 3.753 8.998 -0.586 46 HB2 ASN 8 2HB ASN 8 2.796 8.667 2.226 47 HB3 ASN 8 1HB ASN 8 4.506 8.676 1.788 48 HD21 ASN 8 1HD2 ASN 8 2.938 10.577 3.425 49 HD22 ASN 8 2HD2 ASN 8 3.140 12.122 2.681 50 H ASN 9 H ASN 9 2.672 6.883 -1.582 51 HA ASN 9 HA ASN 9 3.052 4.716 -2.210 52 HB2 ASN 9 2HB ASN 9 5.449 5.628 -2.238 53 HB3 ASN 9 1HB ASN 9 5.629 4.923 -0.635 54 HD21 ASN 9 1HD2 ASN 9 6.163 2.819 -0.469 55 HD22 ASN 9 2HD2 ASN 9 6.374 1.730 -1.773 56 H GLY 10 H GLY 10 1.648 5.285 0.263 57 HA2 GLY 10 2HA GLY 10 0.463 3.991 1.737 58 HA3 GLY 10 1HA GLY 10 1.332 2.587 1.141 59 H GLY 11 H GLY 11 3.550 4.867 2.003 60 HA2 GLY 11 2HA GLY 11 4.915 5.104 3.852 61 HA3 GLY 11 1HA GLY 11 3.744 4.174 4.788 62 H CYS 12 H CYS 12 4.530 2.654 1.905 63 HA CYS 12 HA CYS 12 5.944 0.598 3.352 64 HB2 CYS 12 2HB CYS 12 5.169 0.735 0.423 65 HB3 CYS 12 1HB CYS 12 5.702 -0.698 1.287 66 H SER 13 H SER 13 8.089 0.194 3.130 67 HA SER 13 HA SER 13 9.750 2.233 2.004 68 HB2 SER 13 2HB SER 13 10.308 1.073 4.128 69 HB3 SER 13 1HB SER 13 10.482 -0.433 3.232 70 HG SER 13 HG SER 13 12.055 1.089 1.963 71 H HIS 14 H HIS 14 8.389 -0.651 0.866 72 HA HIS 14 HA HIS 14 10.072 -0.567 -1.513 73 HB2 HIS 14 2HB HIS 14 8.923 -3.031 -0.154 74 HB3 HIS 14 1HB HIS 14 9.535 -3.047 -1.795 75 HD1 HIS 14 1HD HIS 14 12.056 -3.200 -2.111 76 HD2 HIS 14 2HD HIS 14 10.903 -2.711 1.847 77 HE1 HIS 14 1HE HIS 14 14.116 -3.589 -0.771 78 HE2 HIS 14 2HE HIS 14 13.460 -3.027 1.583 79 H VAL 15 H VAL 15 8.479 -2.345 -3.025 80 HA VAL 15 HA VAL 15 6.616 -0.637 -4.163 81 HB VAL 15 HB VAL 15 6.497 -3.666 -4.188 82 HG11 VAL 15 1HG1 VAL 15 4.518 -2.648 -5.145 83 HG12 VAL 15 2HG1 VAL 15 5.487 -3.412 -6.407 84 HG13 VAL 15 3HG1 VAL 15 5.519 -1.659 -6.208 85 HG21 VAL 15 3HG2 VAL 15 7.894 -3.557 -6.209 86 HG22 VAL 15 1HG2 VAL 15 8.733 -2.982 -4.768 87 HG23 VAL 15 2HG2 VAL 15 8.106 -1.825 -5.940 88 H CYS 16 H CYS 16 4.500 -0.272 -3.824 89 HA CYS 16 HA CYS 16 3.294 -1.463 -1.450 90 HB2 CYS 16 2HB CYS 16 3.553 1.029 -1.532 91 HB3 CYS 16 1HB CYS 16 2.543 1.034 -2.971 92 H ASN 17 H ASN 17 1.241 -2.335 -1.606 93 HA ASN 17 HA ASN 17 0.115 -2.697 -4.282 94 HB2 ASN 17 2HB ASN 17 1.324 -4.743 -3.629 95 HB3 ASN 17 1HB ASN 17 0.401 -4.827 -2.132 96 HD21 ASN 17 1HD2 ASN 17 -0.460 -6.869 -2.646 97 HD22 ASN 17 2HD2 ASN 17 -1.642 -7.061 -3.881 98 H ASP 18 H ASP 18 -1.631 -1.519 -4.124 99 HA ASP 18 HA ASP 18 -3.014 -1.220 -1.618 100 HB2 ASP 18 2HB ASP 18 -2.915 0.779 -2.891 101 HB3 ASP 18 1HB ASP 18 -3.511 -0.027 -4.336 102 H LEU 19 H LEU 19 -4.449 -2.470 -0.922 103 HA LEU 19 HA LEU 19 -5.898 -4.265 -2.735 104 HB2 LEU 19 2HB LEU 19 -5.544 -4.359 0.245 105 HB3 LEU 19 1HB LEU 19 -6.316 -5.573 -0.719 106 HG LEU 19 HG LEU 19 -3.382 -4.886 -0.840 107 HD11 LEU 19 1HD1 LEU 19 -3.994 -6.034 1.203 108 HD12 LEU 19 2HD1 LEU 19 -3.082 -7.106 0.135 109 HD13 LEU 19 3HD1 LEU 19 -4.832 -7.274 0.272 110 HD21 LEU 19 3HD2 LEU 19 -4.957 -7.034 -2.257 111 HD22 LEU 19 1HD2 LEU 19 -3.204 -6.848 -2.287 112 HD23 LEU 19 2HD2 LEU 19 -4.229 -5.612 -3.008 113 H LYS 20 H LYS 20 -8.103 -4.717 -2.030 114 HA LYS 20 HA LYS 20 -9.569 -2.286 -1.520 115 HB2 LYS 20 2HB LYS 20 -10.480 -5.112 -2.132 116 HB3 LYS 20 1HB LYS 20 -11.617 -3.869 -1.650 117 HG2 LYS 20 2HG LYS 20 -11.626 -4.103 -4.058 118 HG3 LYS 20 1HG LYS 20 -10.966 -2.531 -3.623 119 HD2 LYS 20 2HD LYS 20 -8.683 -3.508 -3.896 120 HD3 LYS 20 1HD LYS 20 -9.439 -4.979 -4.491 121 HE2 LYS 20 2HE LYS 20 -10.405 -3.793 -6.359 122 HE3 LYS 20 1HE LYS 20 -9.813 -2.256 -5.731 123 HZ1 LYS 20 3HZ LYS 20 -8.120 -4.511 -6.686 124 HZ2 LYS 20 1HZ LYS 20 -7.563 -3.103 -5.969 125 HZ3 LYS 20 2HZ LYS 20 -8.330 -3.012 -7.445 126 H ILE 21 H ILE 21 -8.717 -5.186 0.153 127 HA ILE 21 HA ILE 21 -9.977 -4.104 2.544 128 HB ILE 21 HB ILE 21 -10.604 -6.416 2.219 129 HG12 ILE 21 2HG1 ILE 21 -9.707 -7.566 4.252 130 HG13 ILE 21 1HG1 ILE 21 -8.517 -6.281 4.404 131 HG21 ILE 21 1HG2 ILE 21 -7.705 -7.106 1.942 132 HG22 ILE 21 2HG2 ILE 21 -8.981 -7.224 0.721 133 HG23 ILE 21 3HG2 ILE 21 -9.003 -8.284 2.127 134 HD11 ILE 21 3HD1 ILE 21 -10.287 -4.665 4.739 135 HD12 ILE 21 1HD1 ILE 21 -10.398 -5.969 5.917 136 HD13 ILE 21 2HD1 ILE 21 -11.505 -5.927 4.540 137 H GLY 22 H GLY 22 -8.547 -2.448 2.849 138 HA2 GLY 22 2HA GLY 22 -6.734 -1.561 4.060 139 HA3 GLY 22 1HA GLY 22 -6.127 -3.198 4.240 140 H TYR 23 H TYR 23 -4.156 -3.145 3.537 141 HA TYR 23 HA TYR 23 -3.610 -2.681 0.758 142 HB2 TYR 23 2HB TYR 23 -1.884 -1.005 1.031 143 HB3 TYR 23 1HB TYR 23 -3.354 -0.383 1.763 144 HD1 TYR 23 2HD TYR 23 -3.542 -0.562 4.349 145 HD2 TYR 23 1HD TYR 23 0.127 -1.068 2.255 146 HE1 TYR 23 2HE TYR 23 -2.294 -0.129 6.426 147 HE2 TYR 23 1HE TYR 23 1.373 -0.640 4.329 148 HH TYR 23 HH TYR 23 1.006 0.505 6.486 149 H GLU 24 H GLU 24 -1.077 -3.006 0.507 150 HA GLU 24 HA GLU 24 0.003 -4.816 2.486 151 HB2 GLU 24 2HB GLU 24 -1.193 -6.320 1.080 152 HB3 GLU 24 1HB GLU 24 -0.641 -5.514 -0.374 153 HG2 GLU 24 2HG GLU 24 1.602 -6.328 0.002 154 HG3 GLU 24 1HG GLU 24 1.111 -7.076 1.516 155 H CYS 25 H CYS 25 2.172 -4.556 2.627 156 HA CYS 25 HA CYS 25 3.485 -2.941 0.577 157 HB2 CYS 25 2HB CYS 25 4.447 -3.725 3.338 158 HB3 CYS 25 1HB CYS 25 5.302 -2.683 2.215 159 H LEU 26 H LEU 26 4.877 -3.870 -0.779 160 HA LEU 26 HA LEU 26 5.486 -6.704 -0.394 161 HB2 LEU 26 2HB LEU 26 5.518 -4.937 -2.829 162 HB3 LEU 26 1HB LEU 26 5.982 -6.625 -2.829 163 HG LEU 26 HG LEU 26 3.227 -5.608 -2.139 164 HD11 LEU 26 1HD1 LEU 26 3.771 -5.192 -4.476 165 HD12 LEU 26 2HD1 LEU 26 2.605 -6.512 -4.336 166 HD13 LEU 26 3HD1 LEU 26 4.302 -6.861 -4.663 167 HD21 LEU 26 3HD2 LEU 26 3.788 -7.726 -1.079 168 HD22 LEU 26 1HD2 LEU 26 4.292 -8.385 -2.635 169 HD23 LEU 26 2HD2 LEU 26 2.602 -7.958 -2.360 170 HN1 NH2 27 1H LEU 26 7.133 -6.072 1.114 171 HN2 NH2 27 2H LEU 26 8.677 -5.556 0.542 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -9.609 3.142 -5.587 2 H2 GLY 1 2HT GLY 1 -10.273 4.659 -5.887 3 H3 GLY 1 3HT GLY 1 -11.072 3.264 -6.438 4 HA2 GLY 1 1HA GLY 1 -12.104 4.220 -4.466 5 HA3 GLY 1 2HA GLY 1 -11.463 2.607 -4.159 6 H THR 2 H THR 2 -10.957 2.846 -2.009 7 HA THR 2 HA THR 2 -9.407 5.121 -1.230 8 HB THR 2 HB THR 2 -11.094 4.283 0.359 9 HG1 THR 2 1HG THR 2 -8.505 3.822 1.451 10 HG21 THR 2 3HG2 THR 2 -9.416 1.781 0.593 11 HG22 THR 2 1HG2 THR 2 -11.009 1.869 -0.166 12 HG23 THR 2 2HG2 THR 2 -10.832 2.166 1.566 13 H ASN 3 H ASN 3 -7.579 5.060 -2.294 14 HA ASN 3 HA ASN 3 -5.945 2.669 -2.391 15 HB2 ASN 3 2HB ASN 3 -6.255 4.184 -4.378 16 HB3 ASN 3 1HB ASN 3 -5.395 5.435 -3.496 17 HD21 ASN 3 1HD2 ASN 3 -4.613 4.428 -5.980 18 HD22 ASN 3 2HD2 ASN 3 -3.102 3.633 -5.785 19 H GLU 4 H GLU 4 -4.776 2.290 -0.665 20 HA GLU 4 HA GLU 4 -4.000 4.437 1.118 21 HB2 GLU 4 2HB GLU 4 -3.751 1.460 1.254 22 HB3 GLU 4 1HB GLU 4 -2.840 2.470 2.363 23 HG2 GLU 4 2HG GLU 4 -4.907 1.631 3.375 24 HG3 GLU 4 1HG GLU 4 -4.923 3.385 3.249 25 H CYS 5 H CYS 5 -2.582 2.662 -1.426 26 HA CYS 5 HA CYS 5 0.148 3.137 -0.627 27 HB2 CYS 5 2HB CYS 5 -1.039 2.146 -3.190 28 HB3 CYS 5 1HB CYS 5 0.674 2.181 -2.807 29 H LEU 6 H LEU 6 -2.220 4.652 -2.406 30 HA LEU 6 HA LEU 6 -0.789 6.432 -4.055 31 HB2 LEU 6 2HB LEU 6 -3.316 5.986 -3.846 32 HB3 LEU 6 1HB LEU 6 -3.298 7.131 -2.540 33 HG LEU 6 HG LEU 6 -2.564 7.807 -5.403 34 HD11 LEU 6 1HD1 LEU 6 -4.743 8.904 -5.476 35 HD12 LEU 6 2HD1 LEU 6 -5.105 8.285 -3.867 36 HD13 LEU 6 3HD1 LEU 6 -4.894 7.166 -5.216 37 HD21 LEU 6 3HD2 LEU 6 -2.794 10.114 -4.695 38 HD22 LEU 6 1HD2 LEU 6 -1.563 9.295 -3.732 39 HD23 LEU 6 2HD2 LEU 6 -3.164 9.592 -3.045 40 H ASP 7 H ASP 7 -1.685 6.562 -0.678 41 HA ASP 7 HA ASP 7 -0.469 9.196 -0.362 42 HB2 ASP 7 2HB ASP 7 -2.688 8.875 0.594 43 HB3 ASP 7 1HB ASP 7 -2.091 7.527 1.554 44 H ASN 8 H ASN 8 1.627 9.111 -0.147 45 HA ASN 8 HA ASN 8 3.706 8.722 0.631 46 HB2 ASN 8 2HB ASN 8 2.193 7.769 3.047 47 HB3 ASN 8 1HB ASN 8 3.953 7.839 2.949 48 HD21 ASN 8 1HD2 ASN 8 4.942 9.846 2.846 49 HD22 ASN 8 2HD2 ASN 8 4.131 11.294 3.313 50 H ASN 9 H ASN 9 2.332 6.727 -0.814 51 HA ASN 9 HA ASN 9 2.475 4.591 -1.615 52 HB2 ASN 9 2HB ASN 9 4.894 5.402 -1.880 53 HB3 ASN 9 1HB ASN 9 5.260 4.510 -0.407 54 HD21 ASN 9 1HD2 ASN 9 6.608 3.048 -1.315 55 HD22 ASN 9 2HD2 ASN 9 6.146 1.835 -2.435 56 H GLY 10 H GLY 10 1.328 4.967 0.966 57 HA2 GLY 10 2HA GLY 10 0.374 3.642 2.563 58 HA3 GLY 10 1HA GLY 10 1.178 2.262 1.835 59 H GLY 11 H GLY 11 3.582 4.412 2.448 60 HA2 GLY 11 2HA GLY 11 5.018 4.665 4.271 61 HA3 GLY 11 1HA GLY 11 4.007 3.557 5.200 62 H CYS 12 H CYS 12 4.745 2.601 2.025 63 HA CYS 12 HA CYS 12 6.597 0.579 3.024 64 HB2 CYS 12 2HB CYS 12 5.162 0.735 0.358 65 HB3 CYS 12 1HB CYS 12 5.996 -0.661 1.023 66 H SER 13 H SER 13 8.712 0.610 2.320 67 HA SER 13 HA SER 13 9.522 2.836 0.668 68 HB2 SER 13 2HB SER 13 11.154 0.736 2.109 69 HB3 SER 13 1HB SER 13 11.801 2.179 1.320 70 HG SER 13 HG SER 13 10.014 3.164 2.805 71 H HIS 14 H HIS 14 8.735 -0.405 0.311 72 HA HIS 14 HA HIS 14 10.015 -0.495 -2.312 73 HB2 HIS 14 2HB HIS 14 8.980 -2.777 -0.583 74 HB3 HIS 14 1HB HIS 14 9.517 -2.969 -2.246 75 HD1 HIS 14 1HD HIS 14 10.768 -3.148 1.147 76 HD2 HIS 14 2HD HIS 14 12.334 -2.157 -2.566 77 HE1 HIS 14 1HE HIS 14 13.234 -3.277 1.406 78 HE2 HIS 14 2HE HIS 14 14.093 -2.257 -0.721 79 H VAL 15 H VAL 15 8.232 -2.354 -3.495 80 HA VAL 15 HA VAL 15 6.219 -0.570 -4.294 81 HB VAL 15 HB VAL 15 6.321 -3.582 -4.659 82 HG11 VAL 15 1HG1 VAL 15 4.800 -1.514 -6.247 83 HG12 VAL 15 2HG1 VAL 15 4.091 -2.618 -5.076 84 HG13 VAL 15 3HG1 VAL 15 4.831 -3.255 -6.544 85 HG21 VAL 15 3HG2 VAL 15 7.305 -1.364 -6.444 86 HG22 VAL 15 1HG2 VAL 15 7.306 -3.081 -6.842 87 HG23 VAL 15 2HG2 VAL 15 8.315 -2.476 -5.525 88 H CYS 16 H CYS 16 4.127 -0.333 -3.699 89 HA CYS 16 HA CYS 16 3.215 -1.833 -1.354 90 HB2 CYS 16 2HB CYS 16 3.402 0.681 -1.165 91 HB3 CYS 16 1HB CYS 16 2.261 0.783 -2.501 92 H ASN 17 H ASN 17 1.201 -2.811 -1.517 93 HA ASN 17 HA ASN 17 -0.045 -2.701 -4.178 94 HB2 ASN 17 2HB ASN 17 0.888 -4.935 -3.815 95 HB3 ASN 17 1HB ASN 17 0.012 -5.080 -2.301 96 HD21 ASN 17 1HD2 ASN 17 -1.208 -6.858 -2.882 97 HD22 ASN 17 2HD2 ASN 17 -2.397 -6.805 -4.130 98 H ASP 18 H ASP 18 -1.833 -1.637 -4.105 99 HA ASP 18 HA ASP 18 -3.147 -1.173 -1.608 100 HB2 ASP 18 2HB ASP 18 -3.044 0.718 -3.063 101 HB3 ASP 18 1HB ASP 18 -3.737 -0.189 -4.398 102 H LEU 19 H LEU 19 -3.906 -3.005 -0.934 103 HA LEU 19 HA LEU 19 -5.720 -4.683 -2.342 104 HB2 LEU 19 2HB LEU 19 -5.623 -4.237 0.645 105 HB3 LEU 19 1HB LEU 19 -6.229 -5.619 -0.194 106 HG LEU 19 HG LEU 19 -3.308 -4.879 -0.133 107 HD11 LEU 19 1HD1 LEU 19 -4.112 -5.549 2.061 108 HD12 LEU 19 2HD1 LEU 19 -3.079 -6.794 1.358 109 HD13 LEU 19 3HD1 LEU 19 -4.831 -7.000 1.362 110 HD21 LEU 19 3HD2 LEU 19 -3.974 -6.108 -2.140 111 HD22 LEU 19 1HD2 LEU 19 -4.726 -7.346 -1.133 112 HD23 LEU 19 2HD2 LEU 19 -2.979 -7.100 -1.076 113 H LYS 20 H LYS 20 -8.119 -4.765 -1.597 114 HA LYS 20 HA LYS 20 -9.213 -2.177 -1.951 115 HB2 LYS 20 2HB LYS 20 -10.433 -4.344 -2.455 116 HB3 LYS 20 1HB LYS 20 -10.651 -4.544 -0.723 117 HG2 LYS 20 2HG LYS 20 -11.923 -2.452 -0.639 118 HG3 LYS 20 1HG LYS 20 -11.722 -2.270 -2.381 119 HD2 LYS 20 2HD LYS 20 -12.869 -4.455 -2.678 120 HD3 LYS 20 1HD LYS 20 -13.167 -4.483 -0.942 121 HE2 LYS 20 2HE LYS 20 -14.149 -2.382 -2.871 122 HE3 LYS 20 1HE LYS 20 -15.117 -3.678 -2.183 123 HZ1 LYS 20 3HZ LYS 20 -13.843 -1.475 -0.643 124 HZ2 LYS 20 1HZ LYS 20 -14.785 -2.713 0.011 125 HZ3 LYS 20 2HZ LYS 20 -15.454 -1.582 -1.061 126 H ILE 21 H ILE 21 -9.001 -4.301 0.819 127 HA ILE 21 HA ILE 21 -9.508 -2.036 2.568 128 HB ILE 21 HB ILE 21 -10.923 -3.928 3.098 129 HG12 ILE 21 2HG1 ILE 21 -10.285 -4.411 5.463 130 HG13 ILE 21 1HG1 ILE 21 -8.719 -3.678 5.151 131 HG21 ILE 21 1HG2 ILE 21 -9.715 -5.743 2.104 132 HG22 ILE 21 2HG2 ILE 21 -10.076 -6.128 3.788 133 HG23 ILE 21 3HG2 ILE 21 -8.451 -5.620 3.329 134 HD11 ILE 21 3HD1 ILE 21 -11.378 -2.270 4.976 135 HD12 ILE 21 1HD1 ILE 21 -9.797 -1.539 4.700 136 HD13 ILE 21 2HD1 ILE 21 -10.221 -2.142 6.301 137 H GLY 22 H GLY 22 -7.834 -1.000 3.253 138 HA2 GLY 22 2HA GLY 22 -5.727 -0.541 4.010 139 HA3 GLY 22 1HA GLY 22 -5.526 -2.267 4.292 140 H TYR 23 H TYR 23 -3.604 -2.627 3.452 141 HA TYR 23 HA TYR 23 -3.213 -2.747 0.650 142 HB2 TYR 23 2HB TYR 23 -1.310 -1.174 0.546 143 HB3 TYR 23 1HB TYR 23 -2.766 -0.313 1.024 144 HD1 TYR 23 1HD TYR 23 -3.059 0.333 3.439 145 HD2 TYR 23 2HD TYR 23 0.603 -1.255 1.984 146 HE1 TYR 23 1HE TYR 23 -1.919 1.147 5.441 147 HE2 TYR 23 2HE TYR 23 1.753 -0.443 3.991 148 HH TYR 23 HH TYR 23 1.416 1.315 5.658 149 H GLU 24 H GLU 24 -0.635 -3.230 0.470 150 HA GLU 24 HA GLU 24 0.421 -4.442 2.874 151 HB2 GLU 24 2HB GLU 24 0.931 -6.566 1.780 152 HB3 GLU 24 1HB GLU 24 -0.802 -6.286 1.754 153 HG2 GLU 24 2HG GLU 24 -0.678 -5.577 -0.546 154 HG3 GLU 24 1HG GLU 24 1.074 -5.779 -0.535 155 H CYS 25 H CYS 25 2.638 -4.358 2.920 156 HA CYS 25 HA CYS 25 3.942 -2.932 0.756 157 HB2 CYS 25 2HB CYS 25 5.036 -3.929 3.401 158 HB3 CYS 25 1HB CYS 25 5.916 -2.936 2.253 159 H LEU 26 H LEU 26 5.013 -3.984 -0.786 160 HA LEU 26 HA LEU 26 5.207 -6.868 -0.582 161 HB2 LEU 26 2HB LEU 26 5.783 -5.008 -2.887 162 HB3 LEU 26 1HB LEU 26 5.787 -6.756 -2.970 163 HG LEU 26 HG LEU 26 3.355 -5.047 -2.397 164 HD11 LEU 26 1HD1 LEU 26 4.126 -4.792 -4.677 165 HD12 LEU 26 2HD1 LEU 26 2.645 -5.756 -4.642 166 HD13 LEU 26 3HD1 LEU 26 4.210 -6.538 -4.862 167 HD21 LEU 26 3HD2 LEU 26 3.223 -7.244 -1.335 168 HD22 LEU 26 1HD2 LEU 26 3.633 -8.012 -2.870 169 HD23 LEU 26 2HD2 LEU 26 2.113 -7.134 -2.701 170 HN1 NH2 27 1H LEU 26 6.846 -7.119 0.801 171 HN2 NH2 27 2H LEU 26 8.491 -6.706 0.484 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 -12.754 4.906 -3.497 2 H2 GLY 1 2HT GLY 1 -13.392 3.347 -3.604 3 H3 GLY 1 3HT GLY 1 -11.722 3.608 -3.758 4 HA2 GLY 1 1HA GLY 1 -13.297 4.150 -1.338 5 HA3 GLY 1 2HA GLY 1 -12.282 2.737 -1.588 6 H THR 2 H THR 2 -10.309 2.923 -0.735 7 HA THR 2 HA THR 2 -9.046 5.522 -0.697 8 HB THR 2 HB THR 2 -9.889 5.430 1.509 9 HG1 THR 2 1HG THR 2 -7.319 4.367 1.937 10 HG21 THR 2 3HG2 THR 2 -9.595 3.532 3.048 11 HG22 THR 2 1HG2 THR 2 -8.817 2.615 1.757 12 HG23 THR 2 2HG2 THR 2 -10.516 3.068 1.616 13 H ASN 3 H ASN 3 -7.250 5.401 -1.752 14 HA ASN 3 HA ASN 3 -5.829 2.857 -1.965 15 HB2 ASN 3 2HB ASN 3 -6.475 4.033 -4.052 16 HB3 ASN 3 1HB ASN 3 -5.515 5.417 -3.557 17 HD21 ASN 3 1HD2 ASN 3 -5.400 3.629 -5.876 18 HD22 ASN 3 2HD2 ASN 3 -3.786 3.045 -5.959 19 H GLU 4 H GLU 4 -4.365 2.585 -0.474 20 HA GLU 4 HA GLU 4 -3.188 4.788 0.947 21 HB2 GLU 4 2HB GLU 4 -2.735 1.816 1.155 22 HB3 GLU 4 1HB GLU 4 -1.939 2.996 2.172 23 HG2 GLU 4 2HG GLU 4 -3.769 1.955 3.345 24 HG3 GLU 4 1HG GLU 4 -4.105 3.660 3.088 25 H CYS 5 H CYS 5 -2.192 2.630 -1.562 26 HA CYS 5 HA CYS 5 0.597 3.001 -1.097 27 HB2 CYS 5 2HB CYS 5 -0.894 1.794 -3.363 28 HB3 CYS 5 1HB CYS 5 0.857 1.755 -3.179 29 H LEU 6 H LEU 6 -1.694 4.587 -2.970 30 HA LEU 6 HA LEU 6 0.346 6.069 -4.401 31 HB2 LEU 6 2HB LEU 6 -2.602 6.016 -4.466 32 HB3 LEU 6 1HB LEU 6 -1.812 7.508 -4.932 33 HG LEU 6 HG LEU 6 -2.372 6.078 -6.893 34 HD11 LEU 6 1HD1 LEU 6 -0.461 7.575 -7.050 35 HD12 LEU 6 2HD1 LEU 6 -0.208 6.108 -7.990 36 HD13 LEU 6 3HD1 LEU 6 0.602 6.305 -6.439 37 HD21 LEU 6 3HD2 LEU 6 -2.173 3.881 -5.824 38 HD22 LEU 6 1HD2 LEU 6 -0.429 4.101 -5.692 39 HD23 LEU 6 2HD2 LEU 6 -1.183 3.972 -7.282 40 H ASP 7 H ASP 7 -1.242 6.275 -1.517 41 HA ASP 7 HA ASP 7 -0.560 9.101 -1.087 42 HB2 ASP 7 2HB ASP 7 -2.796 8.346 -0.344 43 HB3 ASP 7 1HB ASP 7 -2.017 7.160 0.695 44 H ASN 8 H ASN 8 1.626 9.011 -0.962 45 HA ASN 8 HA ASN 8 3.682 8.947 0.029 46 HB2 ASN 8 2HB ASN 8 2.273 9.710 1.916 47 HB3 ASN 8 1HB ASN 8 2.197 8.068 2.518 48 HD21 ASN 8 1HD2 ASN 8 4.156 10.899 2.226 49 HD22 ASN 8 2HD2 ASN 8 5.473 10.401 3.197 50 H ASN 9 H ASN 9 2.491 6.743 -1.180 51 HA ASN 9 HA ASN 9 2.849 4.552 -1.817 52 HB2 ASN 9 2HB ASN 9 5.219 5.474 -1.995 53 HB3 ASN 9 1HB ASN 9 5.525 4.802 -0.401 54 HD21 ASN 9 1HD2 ASN 9 7.038 3.336 -1.004 55 HD22 ASN 9 2HD2 ASN 9 6.734 1.950 -1.974 56 H GLY 10 H GLY 10 1.383 4.888 0.540 57 HA2 GLY 10 2HA GLY 10 0.429 3.538 2.137 58 HA3 GLY 10 1HA GLY 10 1.484 2.249 1.593 59 H GLY 11 H GLY 11 3.285 4.958 2.353 60 HA2 GLY 11 2HA GLY 11 4.549 5.569 4.178 61 HA3 GLY 11 1HA GLY 11 3.630 4.428 5.163 62 H CYS 12 H CYS 12 4.766 3.123 2.253 63 HA CYS 12 HA CYS 12 6.721 1.580 3.742 64 HB2 CYS 12 2HB CYS 12 5.093 1.035 1.298 65 HB3 CYS 12 1HB CYS 12 6.334 -0.063 1.863 66 H SER 13 H SER 13 8.742 1.173 2.876 67 HA SER 13 HA SER 13 9.725 3.052 0.935 68 HB2 SER 13 2HB SER 13 11.886 1.937 1.610 69 HB3 SER 13 1HB SER 13 11.018 2.771 2.908 70 HG SER 13 HG SER 13 11.106 0.940 3.888 71 H HIS 14 H HIS 14 8.657 -0.183 1.103 72 HA HIS 14 HA HIS 14 10.087 -1.046 -1.294 73 HB2 HIS 14 2HB HIS 14 8.144 -2.524 0.500 74 HB3 HIS 14 1HB HIS 14 8.884 -3.227 -0.904 75 HD1 HIS 14 1HD HIS 14 9.399 -2.822 2.673 76 HD2 HIS 14 2HD HIS 14 11.813 -3.427 -0.648 77 HE1 HIS 14 1HE HIS 14 11.543 -3.716 3.564 78 HE2 HIS 14 2HE HIS 14 13.048 -3.910 1.559 79 H VAL 15 H VAL 15 8.352 -2.584 -2.613 80 HA VAL 15 HA VAL 15 6.605 -0.751 -3.926 81 HB VAL 15 HB VAL 15 6.753 -3.785 -4.123 82 HG11 VAL 15 1HG1 VAL 15 5.391 -1.813 -5.957 83 HG12 VAL 15 2HG1 VAL 15 4.589 -2.968 -4.893 84 HG13 VAL 15 3HG1 VAL 15 5.556 -3.545 -6.250 85 HG21 VAL 15 3HG2 VAL 15 7.906 -1.663 -5.924 86 HG22 VAL 15 1HG2 VAL 15 8.000 -3.401 -6.189 87 HG23 VAL 15 2HG2 VAL 15 8.825 -2.672 -4.809 88 H CYS 16 H CYS 16 4.563 -0.258 -3.387 89 HA CYS 16 HA CYS 16 3.331 -1.779 -1.227 90 HB2 CYS 16 2HB CYS 16 3.655 0.704 -0.980 91 HB3 CYS 16 1HB CYS 16 2.592 0.933 -2.352 92 H ASN 17 H ASN 17 1.285 -2.622 -1.469 93 HA ASN 17 HA ASN 17 0.194 -2.761 -4.209 94 HB2 ASN 17 2HB ASN 17 1.238 -4.887 -3.503 95 HB3 ASN 17 1HB ASN 17 0.171 -4.937 -2.098 96 HD21 ASN 17 1HD2 ASN 17 -1.076 -6.638 -2.545 97 HD22 ASN 17 2HD2 ASN 17 -2.038 -6.831 -3.969 98 H ASP 18 H ASP 18 -1.520 -1.487 -4.062 99 HA ASP 18 HA ASP 18 -3.005 -1.227 -1.613 100 HB2 ASP 18 2HB ASP 18 -2.857 0.790 -2.842 101 HB3 ASP 18 1HB ASP 18 -3.392 0.012 -4.327 102 H LEU 19 H LEU 19 -4.366 -2.622 -0.958 103 HA LEU 19 HA LEU 19 -5.884 -4.217 -2.859 104 HB2 LEU 19 2HB LEU 19 -5.891 -4.317 0.161 105 HB3 LEU 19 1HB LEU 19 -6.691 -5.426 -0.905 106 HG LEU 19 HG LEU 19 -3.691 -5.146 -0.734 107 HD11 LEU 19 1HD1 LEU 19 -3.776 -7.309 0.393 108 HD12 LEU 19 2HD1 LEU 19 -5.539 -7.259 0.365 109 HD13 LEU 19 3HD1 LEU 19 -4.639 -6.076 1.314 110 HD21 LEU 19 3HD2 LEU 19 -4.467 -5.885 -2.924 111 HD22 LEU 19 1HD2 LEU 19 -5.448 -7.137 -2.160 112 HD23 LEU 19 2HD2 LEU 19 -3.690 -7.201 -2.048 113 H LYS 20 H LYS 20 -8.224 -4.452 -2.341 114 HA LYS 20 HA LYS 20 -9.449 -1.872 -2.329 115 HB2 LYS 20 2HB LYS 20 -10.273 -3.821 -3.642 116 HB3 LYS 20 1HB LYS 20 -10.753 -4.593 -2.137 117 HG2 LYS 20 2HG LYS 20 -12.304 -2.714 -1.724 118 HG3 LYS 20 1HG LYS 20 -11.858 -2.041 -3.292 119 HD2 LYS 20 2HD LYS 20 -13.128 -4.741 -2.816 120 HD3 LYS 20 1HD LYS 20 -13.954 -3.312 -3.424 121 HE2 LYS 20 2HE LYS 20 -11.697 -4.794 -4.800 122 HE3 LYS 20 1HE LYS 20 -13.398 -4.875 -5.224 123 HZ1 LYS 20 3HZ LYS 20 -13.363 -2.571 -5.848 124 HZ2 LYS 20 1HZ LYS 20 -12.155 -3.394 -6.667 125 HZ3 LYS 20 2HZ LYS 20 -11.755 -2.387 -5.378 126 H ILE 21 H ILE 21 -9.216 -4.563 -0.115 127 HA ILE 21 HA ILE 21 -10.090 -2.749 1.983 128 HB ILE 21 HB ILE 21 -11.777 -4.450 1.845 129 HG12 ILE 21 2HG1 ILE 21 -11.638 -5.612 4.053 130 HG13 ILE 21 1HG1 ILE 21 -9.967 -5.078 4.183 131 HG21 ILE 21 1HG2 ILE 21 -9.628 -6.520 1.920 132 HG22 ILE 21 2HG2 ILE 21 -10.706 -6.126 0.581 133 HG23 ILE 21 3HG2 ILE 21 -11.354 -6.855 2.050 134 HD11 ILE 21 3HD1 ILE 21 -12.384 -3.297 4.014 135 HD12 ILE 21 1HD1 ILE 21 -10.712 -2.754 4.156 136 HD13 ILE 21 2HD1 ILE 21 -11.459 -3.664 5.470 137 H GLY 22 H GLY 22 -8.121 -1.961 2.332 138 HA2 GLY 22 2HA GLY 22 -6.354 -2.042 3.959 139 HA3 GLY 22 1HA GLY 22 -6.254 -3.778 3.661 140 H TYR 23 H TYR 23 -4.051 -3.681 3.202 141 HA TYR 23 HA TYR 23 -3.324 -3.629 0.534 142 HB2 TYR 23 2HB TYR 23 -1.955 -1.671 0.289 143 HB3 TYR 23 1HB TYR 23 -3.508 -1.095 0.864 144 HD1 TYR 23 2HD TYR 23 -3.665 -0.565 3.428 145 HD2 TYR 23 1HD TYR 23 0.013 -1.090 1.360 146 HE1 TYR 23 2HE TYR 23 -2.478 0.645 5.219 147 HE2 TYR 23 1HE TYR 23 1.199 0.110 3.134 148 HH TYR 23 HH TYR 23 0.821 1.657 4.859 149 H GLU 24 H GLU 24 -0.917 -4.023 0.378 150 HA GLU 24 HA GLU 24 0.438 -4.169 2.907 151 HB2 GLU 24 2HB GLU 24 1.353 -6.390 2.662 152 HB3 GLU 24 1HB GLU 24 -0.391 -6.506 2.640 153 HG2 GLU 24 2HG GLU 24 1.041 -6.385 0.042 154 HG3 GLU 24 1HG GLU 24 1.152 -7.866 0.980 155 H CYS 25 H CYS 25 2.802 -4.711 2.503 156 HA CYS 25 HA CYS 25 3.560 -3.424 0.005 157 HB2 CYS 25 2HB CYS 25 4.848 -3.149 2.729 158 HB3 CYS 25 1HB CYS 25 5.386 -2.357 1.243 159 H LEU 26 H LEU 26 4.961 -4.433 -1.169 160 HA LEU 26 HA LEU 26 5.839 -7.077 -0.278 161 HB2 LEU 26 2HB LEU 26 5.622 -5.951 -3.078 162 HB3 LEU 26 1HB LEU 26 6.003 -7.611 -2.661 163 HG LEU 26 HG LEU 26 3.368 -6.202 -2.235 164 HD11 LEU 26 1HD1 LEU 26 2.526 -7.771 -3.902 165 HD12 LEU 26 2HD1 LEU 26 4.156 -8.404 -4.127 166 HD13 LEU 26 3HD1 LEU 26 3.792 -6.733 -4.556 167 HD21 LEU 26 3HD2 LEU 26 4.166 -9.048 -1.607 168 HD22 LEU 26 1HD2 LEU 26 2.522 -8.408 -1.549 169 HD23 LEU 26 2HD2 LEU 26 3.743 -7.789 -0.444 170 HN1 NH2 27 1H LEU 26 7.286 -5.461 -2.998 171 HN2 NH2 27 2H LEU 26 8.808 -5.168 -2.243 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -13.811 5.508 -1.795 2 H2 GLY 1 2HT GLY 1 -13.776 3.874 -1.448 3 H3 GLY 1 3HT GLY 1 -14.461 4.402 -2.892 4 HA2 GLY 1 1HA GLY 1 -12.237 3.488 -3.249 5 HA3 GLY 1 2HA GLY 1 -12.292 5.205 -3.629 6 H THR 2 H THR 2 -10.298 3.089 -2.376 7 HA THR 2 HA THR 2 -9.088 5.046 -0.692 8 HB THR 2 HB THR 2 -10.477 4.040 0.988 9 HG1 THR 2 1HG THR 2 -8.221 2.595 1.661 10 HG21 THR 2 3HG2 THR 2 -10.447 1.625 1.534 11 HG22 THR 2 1HG2 THR 2 -9.397 1.345 0.145 12 HG23 THR 2 2HG2 THR 2 -11.047 1.916 -0.101 13 H ASN 3 H ASN 3 -7.393 5.055 -2.153 14 HA ASN 3 HA ASN 3 -5.871 2.562 -2.433 15 HB2 ASN 3 2HB ASN 3 -6.205 4.135 -4.431 16 HB3 ASN 3 1HB ASN 3 -5.209 5.288 -3.565 17 HD21 ASN 3 1HD2 ASN 3 -4.371 4.551 -5.983 18 HD22 ASN 3 2HD2 ASN 3 -3.035 3.455 -5.909 19 H GLU 4 H GLU 4 -4.945 2.281 -0.465 20 HA GLU 4 HA GLU 4 -4.035 4.378 1.155 21 HB2 GLU 4 2HB GLU 4 -3.447 1.427 1.280 22 HB3 GLU 4 1HB GLU 4 -3.022 2.575 2.530 23 HG2 GLU 4 2HG GLU 4 -4.955 1.514 3.309 24 HG3 GLU 4 1HG GLU 4 -5.509 3.068 2.720 25 H CYS 5 H CYS 5 -2.534 2.532 -1.349 26 HA CYS 5 HA CYS 5 0.186 3.123 -0.570 27 HB2 CYS 5 2HB CYS 5 -0.997 1.920 -3.041 28 HB3 CYS 5 1HB CYS 5 0.721 2.120 -2.757 29 H LEU 6 H LEU 6 -2.223 4.549 -2.334 30 HA LEU 6 HA LEU 6 -0.759 6.123 -4.223 31 HB2 LEU 6 2HB LEU 6 -3.248 5.519 -4.003 32 HB3 LEU 6 1HB LEU 6 -3.353 6.933 -3.003 33 HG LEU 6 HG LEU 6 -2.629 8.340 -4.875 34 HD11 LEU 6 1HD1 LEU 6 -2.546 7.428 -7.142 35 HD12 LEU 6 2HD1 LEU 6 -2.692 5.800 -6.480 36 HD13 LEU 6 3HD1 LEU 6 -1.270 6.778 -6.119 37 HD21 LEU 6 3HD2 LEU 6 -4.663 8.146 -6.216 38 HD22 LEU 6 1HD2 LEU 6 -4.998 8.010 -4.488 39 HD23 LEU 6 2HD2 LEU 6 -4.972 6.566 -5.500 40 H ASP 7 H ASP 7 -1.449 6.366 -0.935 41 HA ASP 7 HA ASP 7 -0.366 9.104 -0.797 42 HB2 ASP 7 2HB ASP 7 -2.580 8.911 0.227 43 HB3 ASP 7 1HB ASP 7 -2.005 7.603 1.255 44 H ASN 8 H ASN 8 1.741 9.045 -0.502 45 HA ASN 8 HA ASN 8 3.768 8.746 0.397 46 HB2 ASN 8 2HB ASN 8 2.184 7.870 2.801 47 HB3 ASN 8 1HB ASN 8 3.941 7.999 2.757 48 HD21 ASN 8 1HD2 ASN 8 0.922 9.753 2.847 49 HD22 ASN 8 2HD2 ASN 8 1.644 11.300 3.080 50 H ASN 9 H ASN 9 2.550 6.664 -1.036 51 HA ASN 9 HA ASN 9 2.789 4.484 -1.726 52 HB2 ASN 9 2HB ASN 9 5.177 5.361 -1.908 53 HB3 ASN 9 1HB ASN 9 5.495 4.600 -0.354 54 HD21 ASN 9 1HD2 ASN 9 6.891 3.125 -1.004 55 HD22 ASN 9 2HD2 ASN 9 6.586 1.786 -2.047 56 H GLY 10 H GLY 10 1.492 4.911 0.767 57 HA2 GLY 10 2HA GLY 10 0.478 3.571 2.336 58 HA3 GLY 10 1HA GLY 10 1.405 2.217 1.710 59 H GLY 11 H GLY 11 3.458 4.743 2.468 60 HA2 GLY 11 2HA GLY 11 4.659 5.287 4.387 61 HA3 GLY 11 1HA GLY 11 3.795 4.032 5.265 62 H CYS 12 H CYS 12 4.768 2.819 2.345 63 HA CYS 12 HA CYS 12 6.975 1.421 3.628 64 HB2 CYS 12 2HB CYS 12 5.150 0.723 1.349 65 HB3 CYS 12 1HB CYS 12 6.471 -0.300 1.886 66 H SER 13 H SER 13 8.898 1.182 2.509 67 HA SER 13 HA SER 13 9.371 3.202 0.500 68 HB2 SER 13 2HB SER 13 10.966 3.016 2.339 69 HB3 SER 13 1HB SER 13 11.287 1.333 1.922 70 HG SER 13 HG SER 13 11.642 2.838 -0.249 71 H HIS 14 H HIS 14 8.762 -0.168 0.667 72 HA HIS 14 HA HIS 14 9.974 -0.568 -1.949 73 HB2 HIS 14 2HB HIS 14 8.891 -2.600 0.010 74 HB3 HIS 14 1HB HIS 14 9.416 -3.020 -1.611 75 HD1 HIS 14 1HD HIS 14 11.938 -3.155 -2.031 76 HD2 HIS 14 2HD HIS 14 10.896 -1.950 1.777 77 HE1 HIS 14 1HE HIS 14 14.074 -3.194 -0.728 78 HE2 HIS 14 2HE HIS 14 13.421 -2.502 1.608 79 H VAL 15 H VAL 15 8.370 -2.598 -2.975 80 HA VAL 15 HA VAL 15 6.372 -1.085 -4.198 81 HB VAL 15 HB VAL 15 6.553 -4.102 -4.043 82 HG11 VAL 15 1HG1 VAL 15 5.133 -2.326 -6.028 83 HG12 VAL 15 2HG1 VAL 15 4.369 -3.344 -4.809 84 HG13 VAL 15 3HG1 VAL 15 5.268 -4.081 -6.135 85 HG21 VAL 15 3HG2 VAL 15 8.612 -3.141 -4.917 86 HG22 VAL 15 1HG2 VAL 15 7.688 -2.201 -6.087 87 HG23 VAL 15 2HG2 VAL 15 7.718 -3.962 -6.198 88 H CYS 16 H CYS 16 4.664 -0.354 -3.242 89 HA CYS 16 HA CYS 16 3.355 -1.841 -1.114 90 HB2 CYS 16 2HB CYS 16 3.721 0.687 -0.986 91 HB3 CYS 16 1HB CYS 16 2.596 0.811 -2.332 92 H ASN 17 H ASN 17 1.465 -2.814 -1.448 93 HA ASN 17 HA ASN 17 0.387 -2.721 -4.170 94 HB2 ASN 17 2HB ASN 17 1.405 -4.890 -3.886 95 HB3 ASN 17 1HB ASN 17 0.579 -5.130 -2.354 96 HD21 ASN 17 1HD2 ASN 17 -1.551 -5.796 -2.364 97 HD22 ASN 17 2HD2 ASN 17 -2.390 -6.266 -3.789 98 H ASP 18 H ASP 18 -1.375 -1.747 -4.215 99 HA ASP 18 HA ASP 18 -2.986 -1.277 -1.943 100 HB2 ASP 18 2HB ASP 18 -2.869 0.451 -3.556 101 HB3 ASP 18 1HB ASP 18 -3.263 -0.647 -4.867 102 H LEU 19 H LEU 19 -4.149 -2.785 -1.070 103 HA LEU 19 HA LEU 19 -5.508 -4.863 -2.598 104 HB2 LEU 19 2HB LEU 19 -5.801 -4.183 0.346 105 HB3 LEU 19 1HB LEU 19 -6.258 -5.649 -0.446 106 HG LEU 19 HG LEU 19 -3.373 -4.814 -0.172 107 HD11 LEU 19 1HD1 LEU 19 -4.968 -6.799 1.420 108 HD12 LEU 19 2HD1 LEU 19 -4.356 -5.254 2.011 109 HD13 LEU 19 3HD1 LEU 19 -3.231 -6.532 1.545 110 HD21 LEU 19 3HD2 LEU 19 -4.662 -7.405 -0.993 111 HD22 LEU 19 1HD2 LEU 19 -2.932 -7.118 -0.812 112 HD23 LEU 19 2HD2 LEU 19 -3.837 -6.271 -2.065 113 H LYS 20 H LYS 20 -8.028 -4.993 -1.710 114 HA LYS 20 HA LYS 20 -9.088 -2.532 -2.698 115 HB2 LYS 20 2HB LYS 20 -10.384 -5.016 -1.593 116 HB3 LYS 20 1HB LYS 20 -11.348 -3.572 -1.850 117 HG2 LYS 20 2HG LYS 20 -11.541 -5.100 -3.740 118 HG3 LYS 20 1HG LYS 20 -10.775 -3.593 -4.228 119 HD2 LYS 20 2HD LYS 20 -8.570 -4.748 -4.058 120 HD3 LYS 20 1HD LYS 20 -9.440 -6.245 -3.711 121 HE2 LYS 20 2HE LYS 20 -10.560 -6.120 -5.868 122 HE3 LYS 20 1HE LYS 20 -9.760 -4.588 -6.211 123 HZ1 LYS 20 3HZ LYS 20 -8.575 -6.347 -7.325 124 HZ2 LYS 20 1HZ LYS 20 -8.420 -7.234 -5.907 125 HZ3 LYS 20 2HZ LYS 20 -7.616 -5.796 -6.082 126 H ILE 21 H ILE 21 -9.198 -4.034 0.457 127 HA ILE 21 HA ILE 21 -9.423 -1.341 1.500 128 HB ILE 21 HB ILE 21 -11.515 -2.453 2.050 129 HG12 ILE 21 2HG1 ILE 21 -11.472 -2.412 4.550 130 HG13 ILE 21 1HG1 ILE 21 -9.719 -2.322 4.478 131 HG21 ILE 21 1HG2 ILE 21 -10.945 -4.752 1.792 132 HG22 ILE 21 2HG2 ILE 21 -11.664 -4.509 3.385 133 HG23 ILE 21 3HG2 ILE 21 -9.918 -4.704 3.222 134 HD11 ILE 21 3HD1 ILE 21 -9.872 -0.182 3.320 135 HD12 ILE 21 1HD1 ILE 21 -10.719 -0.139 4.864 136 HD13 ILE 21 2HD1 ILE 21 -11.632 -0.279 3.363 137 H GLY 22 H GLY 22 -7.605 -0.748 2.327 138 HA2 GLY 22 2HA GLY 22 -5.741 -0.994 3.678 139 HA3 GLY 22 1HA GLY 22 -5.992 -2.743 3.684 140 H TYR 23 H TYR 23 -3.689 -2.751 3.209 141 HA TYR 23 HA TYR 23 -3.123 -2.959 0.416 142 HB2 TYR 23 2HB TYR 23 -1.353 -1.286 0.379 143 HB3 TYR 23 1HB TYR 23 -2.872 -0.515 0.814 144 HD1 TYR 23 2HD TYR 23 -3.283 -0.096 3.355 145 HD2 TYR 23 1HD TYR 23 0.529 -1.016 1.725 146 HE1 TYR 23 2HE TYR 23 -2.209 0.828 5.359 147 HE2 TYR 23 1HE TYR 23 1.603 -0.101 3.716 148 HH TYR 23 HH TYR 23 1.072 1.513 5.423 149 H GLU 24 H GLU 24 -0.766 -3.691 0.228 150 HA GLU 24 HA GLU 24 0.322 -4.635 2.754 151 HB2 GLU 24 2HB GLU 24 0.805 -6.832 1.928 152 HB3 GLU 24 1HB GLU 24 -0.890 -6.541 1.590 153 HG2 GLU 24 2HG GLU 24 -0.269 -6.020 -0.774 154 HG3 GLU 24 1HG GLU 24 1.391 -6.399 -0.356 155 H CYS 25 H CYS 25 2.674 -5.125 2.483 156 HA CYS 25 HA CYS 25 3.753 -3.574 0.258 157 HB2 CYS 25 2HB CYS 25 4.725 -3.539 3.119 158 HB3 CYS 25 1HB CYS 25 5.507 -2.717 1.768 159 H LEU 26 H LEU 26 5.256 -4.489 -0.874 160 HA LEU 26 HA LEU 26 6.064 -7.183 -0.148 161 HB2 LEU 26 2HB LEU 26 6.393 -5.626 -2.699 162 HB3 LEU 26 1HB LEU 26 6.756 -7.325 -2.479 163 HG LEU 26 HG LEU 26 3.981 -6.115 -2.284 164 HD11 LEU 26 1HD1 LEU 26 3.593 -7.256 -4.396 165 HD12 LEU 26 2HD1 LEU 26 5.291 -7.747 -4.442 166 HD13 LEU 26 3HD1 LEU 26 4.864 -6.039 -4.535 167 HD21 LEU 26 3HD2 LEU 26 4.258 -8.079 -0.882 168 HD22 LEU 26 1HD2 LEU 26 4.939 -8.976 -2.239 169 HD23 LEU 26 2HD2 LEU 26 3.252 -8.452 -2.284 170 HN1 NH2 27 1H LEU 26 7.627 -6.746 1.374 171 HN2 NH2 27 2H LEU 26 9.142 -6.005 0.991 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -12.927 4.511 -1.900 2 H2 GLY 1 2HT GLY 1 -13.462 4.160 -3.465 3 H3 GLY 1 3HT GLY 1 -12.473 5.507 -3.168 4 HA2 GLY 1 1HA GLY 1 -11.635 2.725 -2.770 5 HA3 GLY 1 2HA GLY 1 -11.251 3.707 -4.179 6 H THR 2 H THR 2 -10.382 2.893 -1.018 7 HA THR 2 HA THR 2 -8.678 5.210 -0.728 8 HB THR 2 HB THR 2 -8.977 2.818 1.114 9 HG1 THR 2 1HG THR 2 -10.584 4.923 0.588 10 HG21 THR 2 3HG2 THR 2 -6.908 4.109 1.458 11 HG22 THR 2 1HG2 THR 2 -8.023 4.335 2.806 12 HG23 THR 2 2HG2 THR 2 -7.852 5.591 1.579 13 H ASN 3 H ASN 3 -7.164 4.968 -2.274 14 HA ASN 3 HA ASN 3 -5.595 2.537 -2.489 15 HB2 ASN 3 2HB ASN 3 -6.212 3.880 -4.499 16 HB3 ASN 3 1HB ASN 3 -5.350 5.244 -3.833 17 HD21 ASN 3 1HD2 ASN 3 -4.138 1.981 -3.733 18 HD22 ASN 3 2HD2 ASN 3 -2.827 2.243 -4.840 19 H GLU 4 H GLU 4 -4.643 2.436 -0.448 20 HA GLU 4 HA GLU 4 -3.581 4.538 0.994 21 HB2 GLU 4 2HB GLU 4 -2.802 1.630 1.024 22 HB3 GLU 4 1HB GLU 4 -2.081 2.798 2.109 23 HG2 GLU 4 2HG GLU 4 -3.762 1.687 3.336 24 HG3 GLU 4 1HG GLU 4 -4.398 3.280 2.969 25 H CYS 5 H CYS 5 -2.107 2.751 -1.569 26 HA CYS 5 HA CYS 5 0.556 3.504 -1.200 27 HB2 CYS 5 2HB CYS 5 -0.829 2.907 -3.793 28 HB3 CYS 5 1HB CYS 5 0.883 2.882 -3.465 29 H LEU 6 H LEU 6 -2.056 5.232 -2.479 30 HA LEU 6 HA LEU 6 -0.696 7.283 -3.889 31 HB2 LEU 6 2HB LEU 6 -3.316 7.304 -2.451 32 HB3 LEU 6 1HB LEU 6 -2.701 8.742 -3.246 33 HG LEU 6 HG LEU 6 -3.496 6.110 -4.482 34 HD11 LEU 6 1HD1 LEU 6 -4.647 8.882 -4.709 35 HD12 LEU 6 2HD1 LEU 6 -5.314 7.564 -3.757 36 HD13 LEU 6 3HD1 LEU 6 -5.251 7.434 -5.520 37 HD21 LEU 6 3HD2 LEU 6 -1.611 6.989 -5.727 38 HD22 LEU 6 1HD2 LEU 6 -2.365 8.587 -5.786 39 HD23 LEU 6 2HD2 LEU 6 -3.096 7.233 -6.641 40 H ASP 7 H ASP 7 -1.314 6.854 -0.491 41 HA ASP 7 HA ASP 7 -0.160 9.481 0.072 42 HB2 ASP 7 2HB ASP 7 -2.268 8.949 1.243 43 HB3 ASP 7 1HB ASP 7 -1.508 7.517 1.932 44 H ASN 8 H ASN 8 1.921 9.248 -0.201 45 HA ASN 8 HA ASN 8 4.094 8.784 0.205 46 HB2 ASN 8 2HB ASN 8 2.973 7.923 2.862 47 HB3 ASN 8 1HB ASN 8 4.685 7.852 2.456 48 HD21 ASN 8 1HD2 ASN 8 5.108 9.311 4.132 49 HD22 ASN 8 2HD2 ASN 8 4.799 10.997 4.009 50 H ASN 9 H ASN 9 2.657 6.917 -1.163 51 HA ASN 9 HA ASN 9 2.715 4.809 -2.058 52 HB2 ASN 9 2HB ASN 9 5.190 5.461 -2.227 53 HB3 ASN 9 1HB ASN 9 5.448 4.525 -0.760 54 HD21 ASN 9 1HD2 ASN 9 6.693 2.961 -1.590 55 HD22 ASN 9 2HD2 ASN 9 6.246 1.813 -2.774 56 H GLY 10 H GLY 10 1.438 5.108 0.425 57 HA2 GLY 10 2HA GLY 10 0.332 3.700 1.890 58 HA3 GLY 10 1HA GLY 10 1.294 2.358 1.280 59 H GLY 11 H GLY 11 3.256 4.896 2.067 60 HA2 GLY 11 2HA GLY 11 4.587 5.390 3.860 61 HA3 GLY 11 1HA GLY 11 3.639 4.274 4.850 62 H CYS 12 H CYS 12 4.723 3.167 1.764 63 HA CYS 12 HA CYS 12 6.605 1.424 3.139 64 HB2 CYS 12 2HB CYS 12 4.882 1.019 0.718 65 HB3 CYS 12 1HB CYS 12 6.003 -0.183 1.339 66 H SER 13 H SER 13 8.623 1.313 2.409 67 HA SER 13 HA SER 13 9.461 3.147 0.348 68 HB2 SER 13 2HB SER 13 11.086 1.282 2.075 69 HB3 SER 13 1HB SER 13 11.671 2.684 1.176 70 HG SER 13 HG SER 13 11.379 3.445 3.175 71 H HIS 14 H HIS 14 8.499 -0.068 0.545 72 HA HIS 14 HA HIS 14 10.019 -0.781 -1.864 73 HB2 HIS 14 2HB HIS 14 8.619 -2.651 0.099 74 HB3 HIS 14 1HB HIS 14 9.481 -3.161 -1.334 75 HD1 HIS 14 1HD HIS 14 12.049 -3.423 -1.131 76 HD2 HIS 14 2HD HIS 14 10.245 -1.795 2.237 77 HE1 HIS 14 1HE HIS 14 13.810 -3.412 0.637 78 HE2 HIS 14 2HE HIS 14 12.770 -2.230 2.593 79 H VAL 15 H VAL 15 8.298 -2.772 -2.844 80 HA VAL 15 HA VAL 15 6.393 -1.208 -4.175 81 HB VAL 15 HB VAL 15 6.440 -4.228 -3.884 82 HG11 VAL 15 1HG1 VAL 15 4.961 -2.520 -5.892 83 HG12 VAL 15 2HG1 VAL 15 4.230 -3.446 -4.583 84 HG13 VAL 15 3HG1 VAL 15 5.045 -4.282 -5.906 85 HG21 VAL 15 3HG2 VAL 15 7.462 -4.199 -6.123 86 HG22 VAL 15 1HG2 VAL 15 8.462 -3.387 -4.920 87 HG23 VAL 15 2HG2 VAL 15 7.510 -2.436 -6.060 88 H CYS 16 H CYS 16 4.627 -0.380 -3.418 89 HA CYS 16 HA CYS 16 3.250 -1.507 -1.137 90 HB2 CYS 16 2HB CYS 16 3.406 0.980 -1.334 91 HB3 CYS 16 1HB CYS 16 2.545 0.901 -2.859 92 H ASN 17 H ASN 17 1.324 -2.484 -1.235 93 HA ASN 17 HA ASN 17 0.263 -3.192 -3.884 94 HB2 ASN 17 2HB ASN 17 1.550 -5.100 -3.068 95 HB3 ASN 17 1HB ASN 17 0.678 -5.066 -1.538 96 HD21 ASN 17 1HD2 ASN 17 -0.110 -7.135 -1.729 97 HD22 ASN 17 2HD2 ASN 17 -1.307 -7.614 -2.852 98 H ASP 18 H ASP 18 -1.309 -1.813 -3.717 99 HA ASP 18 HA ASP 18 -3.014 -1.552 -1.440 100 HB2 ASP 18 2HB ASP 18 -2.784 0.385 -2.742 101 HB3 ASP 18 1HB ASP 18 -3.148 -0.477 -4.230 102 H LEU 19 H LEU 19 -4.518 -2.837 -0.889 103 HA LEU 19 HA LEU 19 -5.782 -4.504 -2.916 104 HB2 LEU 19 2HB LEU 19 -5.803 -4.813 0.093 105 HB3 LEU 19 1HB LEU 19 -6.486 -5.916 -1.078 106 HG LEU 19 HG LEU 19 -3.537 -5.327 -0.849 107 HD11 LEU 19 1HD1 LEU 19 -4.340 -6.511 1.110 108 HD12 LEU 19 2HD1 LEU 19 -3.362 -7.569 0.098 109 HD13 LEU 19 3HD1 LEU 19 -5.120 -7.715 0.085 110 HD21 LEU 19 3HD2 LEU 19 -5.047 -7.394 -2.453 111 HD22 LEU 19 1HD2 LEU 19 -3.293 -7.243 -2.346 112 HD23 LEU 19 2HD2 LEU 19 -4.238 -5.966 -3.103 113 H LYS 20 H LYS 20 -8.215 -4.897 -2.296 114 HA LYS 20 HA LYS 20 -9.437 -2.332 -2.361 115 HB2 LYS 20 2HB LYS 20 -10.673 -5.058 -1.945 116 HB3 LYS 20 1HB LYS 20 -11.591 -3.587 -2.233 117 HG2 LYS 20 2HG LYS 20 -9.592 -4.773 -4.161 118 HG3 LYS 20 1HG LYS 20 -11.339 -4.995 -4.250 119 HD2 LYS 20 2HD LYS 20 -11.649 -2.604 -4.573 120 HD3 LYS 20 1HD LYS 20 -9.918 -2.328 -4.377 121 HE2 LYS 20 2HE LYS 20 -11.153 -4.006 -6.561 122 HE3 LYS 20 1HE LYS 20 -10.663 -2.325 -6.745 123 HZ1 LYS 20 3HZ LYS 20 -8.972 -3.857 -7.559 124 HZ2 LYS 20 1HZ LYS 20 -8.831 -4.566 -6.041 125 HZ3 LYS 20 2HZ LYS 20 -8.394 -2.949 -6.283 126 H ILE 21 H ILE 21 -9.153 -4.808 0.085 127 HA ILE 21 HA ILE 21 -10.117 -2.896 2.074 128 HB ILE 21 HB ILE 21 -9.661 -5.885 2.310 129 HG12 ILE 21 2HG1 ILE 21 -11.603 -5.438 0.924 130 HG13 ILE 21 1HG1 ILE 21 -12.092 -6.035 2.508 131 HG21 ILE 21 1HG2 ILE 21 -10.843 -3.956 4.295 132 HG22 ILE 21 2HG2 ILE 21 -9.280 -4.762 4.427 133 HG23 ILE 21 3HG2 ILE 21 -10.769 -5.708 4.486 134 HD11 ILE 21 3HD1 ILE 21 -13.532 -4.245 1.705 135 HD12 ILE 21 1HD1 ILE 21 -12.152 -3.155 1.647 136 HD13 ILE 21 2HD1 ILE 21 -12.700 -3.797 3.196 137 H GLY 22 H GLY 22 -8.550 -1.764 2.833 138 HA2 GLY 22 2HA GLY 22 -6.527 -1.180 3.783 139 HA3 GLY 22 1HA GLY 22 -6.275 -2.897 4.081 140 H TYR 23 H TYR 23 -4.226 -3.125 3.453 141 HA TYR 23 HA TYR 23 -3.599 -3.444 0.717 142 HB2 TYR 23 2HB TYR 23 -1.994 -1.680 0.392 143 HB3 TYR 23 1HB TYR 23 -3.452 -0.890 0.977 144 HD1 TYR 23 1HD TYR 23 -3.440 -0.703 3.730 145 HD2 TYR 23 2HD TYR 23 -0.015 -0.929 1.219 146 HE1 TYR 23 1HE TYR 23 -2.087 0.366 5.480 147 HE2 TYR 23 2HE TYR 23 1.338 0.131 2.961 148 HH TYR 23 HH TYR 23 0.967 1.619 4.841 149 H GLU 24 H GLU 24 -0.985 -3.705 0.699 150 HA GLU 24 HA GLU 24 0.213 -4.266 3.229 151 HB2 GLU 24 2HB GLU 24 0.785 -6.554 2.822 152 HB3 GLU 24 1HB GLU 24 -0.946 -6.441 2.567 153 HG2 GLU 24 2HG GLU 24 -0.556 -6.401 0.115 154 HG3 GLU 24 1HG GLU 24 1.166 -6.519 0.434 155 H CYS 25 H CYS 25 2.606 -4.885 2.666 156 HA CYS 25 HA CYS 25 3.219 -3.780 0.056 157 HB2 CYS 25 2HB CYS 25 4.561 -2.953 2.627 158 HB3 CYS 25 1HB CYS 25 5.106 -2.498 1.012 159 H LEU 26 H LEU 26 5.171 -4.392 -0.831 160 HA LEU 26 HA LEU 26 6.089 -6.982 0.189 161 HB2 LEU 26 2HB LEU 26 5.780 -6.062 -2.667 162 HB3 LEU 26 1HB LEU 26 6.342 -7.638 -2.149 163 HG LEU 26 HG LEU 26 3.545 -6.551 -1.712 164 HD11 LEU 26 1HD1 LEU 26 2.880 -8.227 -3.341 165 HD12 LEU 26 2HD1 LEU 26 4.575 -8.659 -3.591 166 HD13 LEU 26 3HD1 LEU 26 3.999 -7.053 -4.038 167 HD21 LEU 26 3HD2 LEU 26 3.029 -8.811 -0.947 168 HD22 LEU 26 1HD2 LEU 26 4.258 -8.053 0.066 169 HD23 LEU 26 2HD2 LEU 26 4.728 -9.262 -1.127 170 HN1 NH2 27 1H LEU 26 7.973 -6.473 1.058 171 HN2 NH2 27 2H LEU 26 9.256 -5.590 0.311 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -11.881 4.786 -3.700 2 H2 GLY 1 2HT GLY 1 -12.527 3.295 -4.167 3 H3 GLY 1 3HT GLY 1 -10.869 3.606 -4.323 4 HA2 GLY 1 1HA GLY 1 -12.290 3.487 -1.754 5 HA3 GLY 1 2HA GLY 1 -11.276 2.211 -2.427 6 H THR 2 H THR 2 -10.441 2.977 -0.104 7 HA THR 2 HA THR 2 -8.731 5.235 -0.064 8 HB THR 2 HB THR 2 -8.696 2.755 1.684 9 HG1 THR 2 1HG THR 2 -9.941 4.638 2.945 10 HG21 THR 2 3HG2 THR 2 -7.764 4.271 3.383 11 HG22 THR 2 1HG2 THR 2 -7.828 5.606 2.230 12 HG23 THR 2 2HG2 THR 2 -6.747 4.243 1.945 13 H ASN 3 H ASN 3 -7.228 5.113 -1.698 14 HA ASN 3 HA ASN 3 -5.725 2.646 -2.131 15 HB2 ASN 3 2HB ASN 3 -6.725 4.012 -3.994 16 HB3 ASN 3 1HB ASN 3 -5.556 5.271 -3.635 17 HD21 ASN 3 1HD2 ASN 3 -3.341 3.501 -3.198 18 HD22 ASN 3 2HD2 ASN 3 -2.940 2.772 -4.727 19 H GLU 4 H GLU 4 -4.679 2.719 -0.104 20 HA GLU 4 HA GLU 4 -3.292 4.825 1.011 21 HB2 GLU 4 2HB GLU 4 -2.635 1.892 1.278 22 HB3 GLU 4 1HB GLU 4 -2.006 3.156 2.311 23 HG2 GLU 4 2HG GLU 4 -3.696 2.354 3.613 24 HG3 GLU 4 1HG GLU 4 -4.551 3.624 2.753 25 H CYS 5 H CYS 5 -2.131 2.509 -1.337 26 HA CYS 5 HA CYS 5 0.610 3.020 -1.148 27 HB2 CYS 5 2HB CYS 5 -0.999 2.154 -3.492 28 HB3 CYS 5 1HB CYS 5 0.753 2.096 -3.396 29 H LEU 6 H LEU 6 -1.782 4.890 -2.629 30 HA LEU 6 HA LEU 6 0.028 6.436 -4.270 31 HB2 LEU 6 2HB LEU 6 -2.872 6.425 -3.780 32 HB3 LEU 6 1HB LEU 6 -2.160 7.957 -4.228 33 HG LEU 6 HG LEU 6 -3.184 6.544 -6.101 34 HD11 LEU 6 1HD1 LEU 6 -1.688 8.404 -6.569 35 HD12 LEU 6 2HD1 LEU 6 -1.385 7.082 -7.696 36 HD13 LEU 6 3HD1 LEU 6 -0.287 7.359 -6.343 37 HD21 LEU 6 3HD2 LEU 6 -1.767 4.789 -7.070 38 HD22 LEU 6 1HD2 LEU 6 -2.311 4.366 -5.448 39 HD23 LEU 6 2HD2 LEU 6 -0.661 4.931 -5.705 40 H ASP 7 H ASP 7 -0.980 6.519 -1.082 41 HA ASP 7 HA ASP 7 0.005 9.277 -0.777 42 HB2 ASP 7 2HB ASP 7 -2.260 8.906 0.114 43 HB3 ASP 7 1HB ASP 7 -1.641 7.621 1.148 44 H ASN 8 H ASN 8 2.125 9.224 -0.412 45 HA ASN 8 HA ASN 8 4.164 8.777 0.487 46 HB2 ASN 8 2HB ASN 8 2.476 7.847 2.817 47 HB3 ASN 8 1HB ASN 8 4.238 7.881 2.822 48 HD21 ASN 8 1HD2 ASN 8 1.323 9.814 2.808 49 HD22 ASN 8 2HD2 ASN 8 2.069 11.308 3.199 50 H ASN 9 H ASN 9 2.915 6.941 -1.110 51 HA ASN 9 HA ASN 9 2.927 4.853 -1.967 52 HB2 ASN 9 2HB ASN 9 5.374 5.593 -2.060 53 HB3 ASN 9 1HB ASN 9 5.620 4.577 -0.641 54 HD21 ASN 9 1HD2 ASN 9 5.726 2.442 -0.899 55 HD22 ASN 9 2HD2 ASN 9 5.761 1.581 -2.387 56 H GLY 10 H GLY 10 1.507 5.000 0.373 57 HA2 GLY 10 2HA GLY 10 0.311 3.460 1.598 58 HA3 GLY 10 1HA GLY 10 1.419 2.207 1.061 59 H GLY 11 H GLY 11 3.260 4.658 2.180 60 HA2 GLY 11 2HA GLY 11 4.158 5.161 4.267 61 HA3 GLY 11 1HA GLY 11 3.148 3.906 4.987 62 H CYS 12 H CYS 12 4.526 2.826 2.175 63 HA CYS 12 HA CYS 12 6.704 1.474 3.596 64 HB2 CYS 12 2HB CYS 12 4.987 0.546 1.270 65 HB3 CYS 12 1HB CYS 12 6.296 -0.382 1.972 66 H SER 13 H SER 13 8.673 1.856 2.739 67 HA SER 13 HA SER 13 8.885 3.693 0.571 68 HB2 SER 13 2HB SER 13 11.046 2.165 2.024 69 HB3 SER 13 1HB SER 13 11.272 3.599 1.018 70 HG SER 13 HG SER 13 9.531 4.423 2.623 71 H HIS 14 H HIS 14 9.158 0.257 0.992 72 HA HIS 14 HA HIS 14 10.063 -0.081 -1.740 73 HB2 HIS 14 2HB HIS 14 9.722 -2.554 -1.385 74 HB3 HIS 14 1HB HIS 14 10.968 -1.840 -0.425 75 HD1 HIS 14 1HD HIS 14 7.197 -2.495 0.137 76 HD2 HIS 14 2HD HIS 14 10.880 -3.088 1.980 77 HE1 HIS 14 1HE HIS 14 6.714 -3.613 2.339 78 HE2 HIS 14 2HE HIS 14 8.898 -3.639 3.518 79 H VAL 15 H VAL 15 8.664 -2.223 -2.620 80 HA VAL 15 HA VAL 15 6.565 -0.918 -3.896 81 HB VAL 15 HB VAL 15 6.964 -3.906 -3.604 82 HG11 VAL 15 1HG1 VAL 15 5.657 -4.077 -5.672 83 HG12 VAL 15 2HG1 VAL 15 5.355 -2.341 -5.621 84 HG13 VAL 15 3HG1 VAL 15 4.708 -3.385 -4.357 85 HG21 VAL 15 3HG2 VAL 15 8.898 -2.711 -4.558 86 HG22 VAL 15 1HG2 VAL 15 7.848 -2.020 -5.787 87 HG23 VAL 15 2HG2 VAL 15 8.123 -3.764 -5.740 88 H CYS 16 H CYS 16 4.491 -0.682 -3.538 89 HA CYS 16 HA CYS 16 3.267 -1.886 -1.176 90 HB2 CYS 16 2HB CYS 16 3.529 0.611 -1.110 91 HB3 CYS 16 1HB CYS 16 2.591 0.740 -2.582 92 H ASN 17 H ASN 17 1.136 -2.654 -1.486 93 HA ASN 17 HA ASN 17 0.222 -2.976 -4.246 94 HB2 ASN 17 2HB ASN 17 1.348 -5.043 -3.574 95 HB3 ASN 17 1HB ASN 17 0.353 -5.140 -2.125 96 HD21 ASN 17 1HD2 ASN 17 -0.479 -7.172 -2.723 97 HD22 ASN 17 2HD2 ASN 17 -1.596 -7.351 -4.008 98 H ASP 18 H ASP 18 -1.506 -1.738 -4.170 99 HA ASP 18 HA ASP 18 -3.036 -1.440 -1.771 100 HB2 ASP 18 2HB ASP 18 -2.901 0.536 -3.062 101 HB3 ASP 18 1HB ASP 18 -3.431 -0.286 -4.522 102 H LEU 19 H LEU 19 -4.482 -2.647 -1.078 103 HA LEU 19 HA LEU 19 -5.954 -4.426 -2.873 104 HB2 LEU 19 2HB LEU 19 -5.870 -4.413 0.134 105 HB3 LEU 19 1HB LEU 19 -6.506 -5.663 -0.894 106 HG LEU 19 HG LEU 19 -3.594 -4.944 -0.629 107 HD11 LEU 19 1HD1 LEU 19 -4.459 -6.019 1.340 108 HD12 LEU 19 2HD1 LEU 19 -3.431 -7.136 0.435 109 HD13 LEU 19 3HD1 LEU 19 -5.186 -7.288 0.355 110 HD21 LEU 19 3HD2 LEU 19 -3.171 -6.906 -1.985 111 HD22 LEU 19 1HD2 LEU 19 -4.164 -5.756 -2.874 112 HD23 LEU 19 2HD2 LEU 19 -4.901 -7.195 -2.160 113 H LYS 20 H LYS 20 -8.331 -4.630 -2.205 114 HA LYS 20 HA LYS 20 -9.491 -2.038 -2.110 115 HB2 LYS 20 2HB LYS 20 -10.621 -3.940 -3.210 116 HB3 LYS 20 1HB LYS 20 -10.800 -4.733 -1.650 117 HG2 LYS 20 2HG LYS 20 -12.206 -2.891 -0.882 118 HG3 LYS 20 1HG LYS 20 -12.040 -2.114 -2.456 119 HD2 LYS 20 2HD LYS 20 -13.098 -4.063 -3.507 120 HD3 LYS 20 1HD LYS 20 -13.284 -4.808 -1.917 121 HE2 LYS 20 2HE LYS 20 -14.669 -2.931 -1.197 122 HE3 LYS 20 1HE LYS 20 -14.491 -2.178 -2.775 123 HZ1 LYS 20 3HZ LYS 20 -15.595 -4.138 -3.738 124 HZ2 LYS 20 1HZ LYS 20 -16.565 -3.316 -2.609 125 HZ3 LYS 20 2HZ LYS 20 -15.805 -4.752 -2.173 126 H ILE 21 H ILE 21 -9.202 -4.661 0.174 127 HA ILE 21 HA ILE 21 -10.046 -2.874 2.315 128 HB ILE 21 HB ILE 21 -9.632 -5.879 2.350 129 HG12 ILE 21 2HG1 ILE 21 -11.588 -5.321 1.032 130 HG13 ILE 21 1HG1 ILE 21 -12.075 -5.980 2.592 131 HG21 ILE 21 1HG2 ILE 21 -9.197 -4.905 4.539 132 HG22 ILE 21 2HG2 ILE 21 -10.712 -5.812 4.562 133 HG23 ILE 21 3HG2 ILE 21 -10.739 -4.054 4.483 134 HD11 ILE 21 3HD1 ILE 21 -13.506 -4.132 1.967 135 HD12 ILE 21 1HD1 ILE 21 -12.106 -3.068 1.820 136 HD13 ILE 21 2HD1 ILE 21 -12.554 -3.718 3.393 137 H GLY 22 H GLY 22 -8.480 -1.765 2.987 138 HA2 GLY 22 2HA GLY 22 -6.491 -1.195 3.975 139 HA3 GLY 22 1HA GLY 22 -6.150 -2.914 4.151 140 H TYR 23 H TYR 23 -4.104 -2.945 3.436 141 HA TYR 23 HA TYR 23 -3.726 -2.851 0.625 142 HB2 TYR 23 2HB TYR 23 -1.889 -1.230 0.615 143 HB3 TYR 23 1HB TYR 23 -3.332 -0.453 1.243 144 HD1 TYR 23 2HD TYR 23 -3.511 -0.217 3.814 145 HD2 TYR 23 1HD TYR 23 0.109 -1.185 1.814 146 HE1 TYR 23 2HE TYR 23 -2.233 0.497 5.790 147 HE2 TYR 23 1HE TYR 23 1.388 -0.477 3.779 148 HH TYR 23 HH TYR 23 -0.012 -0.027 6.759 149 H GLU 24 H GLU 24 -1.208 -3.280 0.350 150 HA GLU 24 HA GLU 24 -0.220 -5.042 2.419 151 HB2 GLU 24 2HB GLU 24 -1.570 -6.427 0.941 152 HB3 GLU 24 1HB GLU 24 -0.799 -5.749 -0.475 153 HG2 GLU 24 2HG GLU 24 1.280 -6.860 0.128 154 HG3 GLU 24 1HG GLU 24 0.526 -7.487 1.595 155 H CYS 25 H CYS 25 2.101 -5.227 2.187 156 HA CYS 25 HA CYS 25 3.258 -3.524 0.107 157 HB2 CYS 25 2HB CYS 25 4.114 -3.620 3.015 158 HB3 CYS 25 1HB CYS 25 5.034 -2.863 1.717 159 H LEU 26 H LEU 26 5.000 -4.328 -0.930 160 HA LEU 26 HA LEU 26 5.725 -7.069 -0.148 161 HB2 LEU 26 2HB LEU 26 5.278 -5.994 -2.930 162 HB3 LEU 26 1HB LEU 26 5.761 -7.633 -2.524 163 HG LEU 26 HG LEU 26 3.150 -6.335 -1.816 164 HD11 LEU 26 1HD1 LEU 26 2.199 -7.852 -3.492 165 HD12 LEU 26 2HD1 LEU 26 3.830 -8.394 -3.903 166 HD13 LEU 26 3HD1 LEU 26 3.355 -6.722 -4.199 167 HD21 LEU 26 3HD2 LEU 26 2.469 -8.620 -1.168 168 HD22 LEU 26 1HD2 LEU 26 3.800 -8.005 -0.185 169 HD23 LEU 26 2HD2 LEU 26 4.124 -9.168 -1.468 170 HN1 NH2 27 1H LEU 26 7.006 -5.818 -3.034 171 HN2 NH2 27 2H LEU 26 8.552 -5.379 -2.418 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -12.292 4.471 -4.746 2 H2 GLY 1 2HT GLY 1 -13.017 2.979 -5.048 3 H3 GLY 1 3HT GLY 1 -11.327 3.130 -5.095 4 HA2 GLY 1 1HA GLY 1 -13.036 3.445 -2.717 5 HA3 GLY 1 2HA GLY 1 -11.975 2.086 -3.072 6 H THR 2 H THR 2 -10.829 2.558 -1.112 7 HA THR 2 HA THR 2 -9.460 5.098 -1.125 8 HB THR 2 HB THR 2 -10.609 4.768 0.917 9 HG1 THR 2 1HG THR 2 -7.979 4.042 1.632 10 HG21 THR 2 3HG2 THR 2 -9.232 2.108 1.125 11 HG22 THR 2 1HG2 THR 2 -10.955 2.372 0.864 12 HG23 THR 2 2HG2 THR 2 -10.210 2.832 2.402 13 H ASN 3 H ASN 3 -7.544 5.227 -1.834 14 HA ASN 3 HA ASN 3 -5.882 2.820 -2.158 15 HB2 ASN 3 2HB ASN 3 -6.672 4.333 -4.119 16 HB3 ASN 3 1HB ASN 3 -5.529 5.488 -3.485 17 HD21 ASN 3 1HD2 ASN 3 -3.684 3.038 -2.792 18 HD22 ASN 3 2HD2 ASN 3 -2.993 2.736 -4.341 19 H GLU 4 H GLU 4 -4.580 2.734 -0.428 20 HA GLU 4 HA GLU 4 -3.782 5.032 1.086 21 HB2 GLU 4 2HB GLU 4 -3.044 2.105 1.271 22 HB3 GLU 4 1HB GLU 4 -2.476 3.325 2.390 23 HG2 GLU 4 2HG GLU 4 -4.300 2.049 3.359 24 HG3 GLU 4 1HG GLU 4 -4.774 3.722 3.132 25 H CYS 5 H CYS 5 -2.343 2.783 -1.183 26 HA CYS 5 HA CYS 5 0.356 3.410 -0.943 27 HB2 CYS 5 2HB CYS 5 -1.172 2.542 -3.365 28 HB3 CYS 5 1HB CYS 5 0.576 2.602 -3.267 29 H LEU 6 H LEU 6 -2.081 5.226 -2.516 30 HA LEU 6 HA LEU 6 -0.545 6.702 -4.337 31 HB2 LEU 6 2HB LEU 6 -3.071 7.446 -2.919 32 HB3 LEU 6 1HB LEU 6 -2.313 8.501 -4.095 33 HG LEU 6 HG LEU 6 -3.434 5.743 -4.582 34 HD11 LEU 6 1HD1 LEU 6 -5.076 6.922 -5.937 35 HD12 LEU 6 2HD1 LEU 6 -4.343 8.460 -5.482 36 HD13 LEU 6 3HD1 LEU 6 -5.120 7.460 -4.258 37 HD21 LEU 6 3HD2 LEU 6 -1.503 6.095 -6.032 38 HD22 LEU 6 1HD2 LEU 6 -2.139 7.670 -6.517 39 HD23 LEU 6 2HD2 LEU 6 -2.993 6.196 -6.960 40 H ASP 7 H ASP 7 -1.054 7.354 -0.913 41 HA ASP 7 HA ASP 7 0.769 9.635 -1.244 42 HB2 ASP 7 2HB ASP 7 -1.410 10.326 -0.421 43 HB3 ASP 7 1HB ASP 7 -1.311 9.152 0.884 44 H ASN 8 H ASN 8 2.701 9.515 -0.419 45 HA ASN 8 HA ASN 8 4.562 8.855 0.685 46 HB2 ASN 8 2HB ASN 8 3.186 9.488 2.621 47 HB3 ASN 8 1HB ASN 8 2.649 7.830 2.791 48 HD21 ASN 8 1HD2 ASN 8 6.002 8.729 2.005 49 HD22 ASN 8 2HD2 ASN 8 6.674 8.148 3.468 50 H ASN 9 H ASN 9 2.970 7.129 -0.961 51 HA ASN 9 HA ASN 9 2.944 5.027 -1.917 52 HB2 ASN 9 2HB ASN 9 5.467 5.487 -1.885 53 HB3 ASN 9 1HB ASN 9 5.534 4.526 -0.414 54 HD21 ASN 9 1HD2 ASN 9 6.764 2.899 -1.203 55 HD22 ASN 9 2HD2 ASN 9 6.268 1.801 -2.422 56 H GLY 10 H GLY 10 1.612 5.475 0.568 57 HA2 GLY 10 2HA GLY 10 0.328 4.243 2.016 58 HA3 GLY 10 1HA GLY 10 0.990 2.785 1.290 59 H GLY 11 H GLY 11 3.468 4.798 2.264 60 HA2 GLY 11 2HA GLY 11 4.726 4.913 4.215 61 HA3 GLY 11 1HA GLY 11 3.616 3.775 4.975 62 H CYS 12 H CYS 12 4.346 2.596 1.966 63 HA CYS 12 HA CYS 12 6.046 0.571 3.112 64 HB2 CYS 12 2HB CYS 12 4.982 0.874 0.296 65 HB3 CYS 12 1HB CYS 12 5.739 -0.562 0.970 66 H SER 13 H SER 13 8.188 0.562 2.919 67 HA SER 13 HA SER 13 9.530 2.598 1.424 68 HB2 SER 13 2HB SER 13 10.617 0.216 2.941 69 HB3 SER 13 1HB SER 13 11.570 1.583 2.359 70 HG SER 13 HG SER 13 9.660 2.672 3.712 71 H HIS 14 H HIS 14 8.495 -0.596 0.957 72 HA HIS 14 HA HIS 14 10.109 -0.906 -1.471 73 HB2 HIS 14 2HB HIS 14 8.479 -2.885 0.107 74 HB3 HIS 14 1HB HIS 14 9.210 -3.290 -1.422 75 HD1 HIS 14 1HD HIS 14 11.814 -3.629 -1.427 76 HD2 HIS 14 2HD HIS 14 10.191 -2.821 2.311 77 HE1 HIS 14 1HE HIS 14 13.579 -4.234 0.215 78 HE2 HIS 14 2HE HIS 14 12.687 -3.423 2.409 79 H VAL 15 H VAL 15 8.428 -2.538 -2.966 80 HA VAL 15 HA VAL 15 6.613 -0.782 -4.121 81 HB VAL 15 HB VAL 15 6.640 -3.826 -4.234 82 HG11 VAL 15 1HG1 VAL 15 5.154 -1.892 -6.019 83 HG12 VAL 15 2HG1 VAL 15 4.422 -2.994 -4.854 84 HG13 VAL 15 3HG1 VAL 15 5.272 -3.636 -6.260 85 HG21 VAL 15 3HG2 VAL 15 7.632 -1.776 -6.206 86 HG22 VAL 15 1HG2 VAL 15 7.744 -3.522 -6.379 87 HG23 VAL 15 2HG2 VAL 15 8.661 -2.689 -5.115 88 H CYS 16 H CYS 16 4.545 -0.248 -3.688 89 HA CYS 16 HA CYS 16 3.274 -1.500 -1.372 90 HB2 CYS 16 2HB CYS 16 3.528 1.056 -1.555 91 HB3 CYS 16 1HB CYS 16 2.405 0.930 -2.908 92 H ASN 17 H ASN 17 1.418 -2.614 -1.641 93 HA ASN 17 HA ASN 17 0.202 -2.697 -4.316 94 HB2 ASN 17 2HB ASN 17 1.430 -4.815 -3.859 95 HB3 ASN 17 1HB ASN 17 0.507 -5.004 -2.372 96 HD21 ASN 17 1HD2 ASN 17 -0.427 -6.967 -3.004 97 HD22 ASN 17 2HD2 ASN 17 -1.595 -7.048 -4.263 98 H ASP 18 H ASP 18 -1.757 -1.877 -4.158 99 HA ASP 18 HA ASP 18 -2.870 -1.552 -1.495 100 HB2 ASP 18 2HB ASP 18 -2.669 0.219 -3.434 101 HB3 ASP 18 1HB ASP 18 -4.191 -0.506 -3.944 102 H LEU 19 H LEU 19 -4.646 -2.589 -0.804 103 HA LEU 19 HA LEU 19 -5.963 -4.391 -2.713 104 HB2 LEU 19 2HB LEU 19 -5.747 -4.756 0.274 105 HB3 LEU 19 1HB LEU 19 -6.431 -5.872 -0.865 106 HG LEU 19 HG LEU 19 -3.499 -5.165 -0.709 107 HD11 LEU 19 1HD1 LEU 19 -4.225 -6.485 1.191 108 HD12 LEU 19 2HD1 LEU 19 -3.218 -7.447 0.110 109 HD13 LEU 19 3HD1 LEU 19 -4.969 -7.663 0.109 110 HD21 LEU 19 3HD2 LEU 19 -4.948 -7.191 -2.422 111 HD22 LEU 19 1HD2 LEU 19 -3.197 -7.015 -2.299 112 HD23 LEU 19 2HD2 LEU 19 -4.166 -5.715 -2.989 113 H LYS 20 H LYS 20 -8.263 -4.856 -2.036 114 HA LYS 20 HA LYS 20 -9.796 -2.522 -1.930 115 HB2 LYS 20 2HB LYS 20 -10.683 -4.705 -2.684 116 HB3 LYS 20 1HB LYS 20 -10.606 -5.283 -1.025 117 HG2 LYS 20 2HG LYS 20 -12.237 -3.530 -0.380 118 HG3 LYS 20 1HG LYS 20 -12.368 -3.069 -2.075 119 HD2 LYS 20 2HD LYS 20 -14.214 -4.521 -1.479 120 HD3 LYS 20 1HD LYS 20 -13.139 -5.356 -2.600 121 HE2 LYS 20 2HE LYS 20 -12.092 -6.526 -0.694 122 HE3 LYS 20 1HE LYS 20 -13.200 -5.698 0.399 123 HZ1 LYS 20 3HZ LYS 20 -13.980 -7.553 -1.769 124 HZ2 LYS 20 1HZ LYS 20 -15.033 -6.838 -0.659 125 HZ3 LYS 20 2HZ LYS 20 -13.872 -7.953 -0.147 126 H ILE 21 H ILE 21 -9.075 -4.813 0.614 127 HA ILE 21 HA ILE 21 -9.705 -2.722 2.524 128 HB ILE 21 HB ILE 21 -9.775 -4.503 4.259 129 HG12 ILE 21 2HG1 ILE 21 -9.721 -6.463 1.964 130 HG13 ILE 21 1HG1 ILE 21 -8.319 -6.110 2.971 131 HG21 ILE 21 1HG2 ILE 21 -11.943 -5.466 3.603 132 HG22 ILE 21 2HG2 ILE 21 -11.668 -4.921 1.948 133 HG23 ILE 21 3HG2 ILE 21 -11.845 -3.741 3.245 134 HD11 ILE 21 3HD1 ILE 21 -10.935 -7.216 3.914 135 HD12 ILE 21 1HD1 ILE 21 -9.524 -6.852 4.903 136 HD13 ILE 21 2HD1 ILE 21 -9.433 -8.137 3.681 137 H GLY 22 H GLY 22 -8.157 -2.009 3.768 138 HA2 GLY 22 2HA GLY 22 -5.983 -1.355 4.252 139 HA3 GLY 22 1HA GLY 22 -5.663 -3.080 4.339 140 H TYR 23 H TYR 23 -3.742 -3.210 3.393 141 HA TYR 23 HA TYR 23 -3.449 -3.286 0.628 142 HB2 TYR 23 2HB TYR 23 -1.773 -1.481 0.340 143 HB3 TYR 23 1HB TYR 23 -3.312 -0.790 0.839 144 HD1 TYR 23 2HD TYR 23 -3.573 -0.104 3.270 145 HD2 TYR 23 1HD TYR 23 0.186 -1.131 1.581 146 HE1 TYR 23 2HE TYR 23 -2.441 1.031 5.123 147 HE2 TYR 23 1HE TYR 23 1.327 -0.004 3.423 148 HH TYR 23 HH TYR 23 0.868 1.739 5.020 149 H GLU 24 H GLU 24 -0.871 -3.585 0.286 150 HA GLU 24 HA GLU 24 0.362 -4.622 2.688 151 HB2 GLU 24 2HB GLU 24 0.960 -6.753 1.529 152 HB3 GLU 24 1HB GLU 24 -0.752 -6.589 1.882 153 HG2 GLU 24 2HG GLU 24 -1.173 -5.975 -0.451 154 HG3 GLU 24 1HG GLU 24 0.558 -6.102 -0.767 155 H CYS 25 H CYS 25 2.534 -4.397 2.694 156 HA CYS 25 HA CYS 25 3.743 -3.059 0.422 157 HB2 CYS 25 2HB CYS 25 4.945 -3.792 3.110 158 HB3 CYS 25 1HB CYS 25 5.610 -2.683 1.919 159 H LEU 26 H LEU 26 4.955 -4.173 -1.014 160 HA LEU 26 HA LEU 26 5.684 -6.934 -0.301 161 HB2 LEU 26 2HB LEU 26 5.086 -5.819 -3.050 162 HB3 LEU 26 1HB LEU 26 5.490 -7.485 -2.682 163 HG LEU 26 HG LEU 26 2.999 -6.010 -1.872 164 HD11 LEU 26 1HD1 LEU 26 1.866 -7.567 -3.378 165 HD12 LEU 26 2HD1 LEU 26 3.422 -8.261 -3.825 166 HD13 LEU 26 3HD1 LEU 26 3.056 -6.583 -4.230 167 HD21 LEU 26 3HD2 LEU 26 2.201 -8.183 -1.030 168 HD22 LEU 26 1HD2 LEU 26 3.617 -7.617 -0.145 169 HD23 LEU 26 2HD2 LEU 26 3.783 -8.883 -1.360 170 HN1 NH2 27 1H LEU 26 6.805 -5.524 -3.248 171 HN2 NH2 27 2H LEU 26 8.429 -5.247 -2.750
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