NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
4926 | 1g1z | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 HT1 ASP 1 5.610 14.120 -2.582 2 2H ASP 1 HT2 ASP 1 6.074 12.887 -3.522 3 3H ASP 1 HT3 ASP 1 7.078 13.427 -2.351 4 HA ASP 1 HA ASP 1 5.814 11.323 -1.858 5 1HB ASP 1 HB2 ASP 1 6.875 12.806 -0.029 6 2HB ASP 1 HB1 ASP 1 5.341 13.743 0.040 7 H ASP 2 HN ASP 2 3.422 10.598 -1.205 8 HA ASP 2 HA ASP 2 1.344 12.280 -1.399 9 1HB ASP 2 HB2 ASP 2 1.977 12.185 -4.002 10 2HB ASP 2 HB1 ASP 2 1.578 10.439 -3.903 11 H CYS 3 HN CYS 3 -0.437 10.031 -2.044 12 HA CYS 3 HA CYS 3 0.664 7.927 -0.316 13 1HB CYS 3 HB2 CYS 3 -1.591 7.242 0.252 14 2HB CYS 3 HB1 CYS 3 -1.414 8.965 0.676 15 H ILE 4 HN ILE 4 -0.356 5.759 -1.095 16 HA ILE 4 HA ILE 4 -0.318 5.752 -4.028 17 HB ILE 4 HB ILE 4 0.054 3.425 -2.100 18 1HG1 ILE 4 HG12 ILE 4 2.084 5.253 -3.539 19 2HG1 ILE 4 HG11 ILE 4 1.863 5.079 -1.767 20 1HG2 ILE 4 HG21 ILE 4 -0.772 2.807 -4.428 21 2HG2 ILE 4 HG22 ILE 4 0.890 2.264 -4.142 22 3HG2 ILE 4 HG23 ILE 4 0.606 3.730 -5.146 23 1HD1 ILE 4 HD11 ILE 4 3.866 3.865 -2.477 24 2HD1 ILE 4 HD12 ILE 4 2.939 2.909 -3.673 25 3HD1 ILE 4 HD13 ILE 4 2.627 2.689 -1.899 26 H LYS 5 HN LYS 5 -1.975 4.475 -5.071 27 HA LYS 5 HA LYS 5 -4.433 5.467 -4.099 28 1HB LYS 5 HB2 LYS 5 -3.655 5.789 -6.442 29 2HB LYS 5 HB1 LYS 5 -3.612 4.006 -6.689 30 1HG LYS 5 HG2 LYS 5 -6.067 3.877 -6.540 31 2HG LYS 5 HG1 LYS 5 -6.169 5.623 -6.097 32 1HD LYS 5 HD2 LYS 5 -5.263 6.264 -8.314 33 2HD LYS 5 HD1 LYS 5 -5.034 4.530 -8.749 34 1HE LYS 5 HE2 LYS 5 -7.502 4.144 -8.642 35 2HE LYS 5 HE1 LYS 5 -7.769 5.870 -8.159 36 1HZ LYS 5 HZ1 LYS 5 -6.526 4.999 -10.678 37 2HZ LYS 5 HZ2 LYS 5 -6.878 6.530 -10.243 38 3HZ LYS 5 HZ3 LYS 5 -8.076 5.464 -10.503 39 HA HYP 6 HA HYP 6 -5.690 1.514 -2.590 40 1HB HYP 6 HB1 HYP 6 -7.949 1.658 -1.777 41 2HB HYP 6 HB2 HYP 6 -8.550 2.269 -3.361 42 1HD HYP 6 HD1 HYP 6 -7.375 4.528 -4.249 43 2HD HYP 6 HD2 HYP 6 -6.217 5.293 -3.077 44 HOD HYP 6 HOD HYP 6 -6.698 3.030 -0.652 45 HG HYP 6 HG HYP 6 -8.511 4.338 -2.045 46 H TYR 7 HN TYR 7 -5.724 -0.581 -3.615 47 HA TYR 7 HA TYR 7 -5.629 -1.986 -5.160 48 1HB TYR 7 HB2 TYR 7 -8.179 -0.683 -6.217 49 2HB TYR 7 HB1 TYR 7 -7.433 -2.133 -6.985 50 HD1 TYR 7 HD1 TYR 7 -9.051 -0.900 -3.833 51 HD2 TYR 7 HD2 TYR 7 -7.337 -4.259 -5.890 52 HE1 TYR 7 HE1 TYR 7 -9.976 -2.423 -2.119 53 HE2 TYR 7 HE2 TYR 7 -8.265 -5.779 -4.203 54 HH TYR 7 HH TYR 7 -9.469 -5.981 -2.300 55 H GLY 8 HN GLY 8 -4.139 0.616 -5.436 56 1HA GLY 8 HA2 GLY 8 -3.232 0.092 -8.179 57 2HA GLY 8 HA1 GLY 8 -2.836 1.505 -7.099 58 H PHE 9 HN PHE 9 -0.594 0.112 -8.028 59 HA PHE 9 HA PHE 9 -0.042 -2.007 -6.115 60 1HB PHE 9 HB2 PHE 9 1.450 -1.006 -8.610 61 2HB PHE 9 HB1 PHE 9 2.235 -2.080 -7.398 62 HD1 PHE 9 HD1 PHE 9 -0.778 -1.872 -9.669 63 HD2 PHE 9 HD2 PHE 9 1.826 -4.378 -7.341 64 HE1 PHE 9 HE1 PHE 9 -1.860 -3.878 -10.617 65 HE2 PHE 9 HE2 PHE 9 0.764 -6.387 -8.320 66 HZ PHE 9 HZ PHE 9 -1.089 -6.139 -9.955 67 H CYS 10 HN CYS 10 1.531 -1.883 -4.552 68 HA CYS 10 HA CYS 10 2.806 0.744 -4.155 69 1HB CYS 10 HB2 CYS 10 2.973 0.125 -1.684 70 2HB CYS 10 HB1 CYS 10 1.356 0.577 -2.268 71 H SER 11 HN SER 11 4.060 -1.719 -2.087 72 HA SER 11 HA SER 11 5.359 -3.140 -4.117 73 1HB SER 11 HB2 SER 11 7.717 -2.523 -3.692 74 2HB SER 11 HB1 SER 11 6.809 -1.098 -4.291 75 HG SER 11 HG SER 11 6.535 -0.613 -1.916 76 H LEU 12 HN LEU 12 7.527 -3.962 -2.133 77 HA LEU 12 HA LEU 12 6.183 -4.696 0.202 78 1HB LEU 12 HB2 LEU 12 7.164 -6.748 -1.920 79 2HB LEU 12 HB1 LEU 12 6.978 -7.181 -0.192 80 HG LEU 12 HG LEU 12 4.686 -6.240 -2.013 81 1HD1 LEU 12 HD11 LEU 12 3.968 -8.627 -2.049 82 2HD1 LEU 12 HD12 LEU 12 5.431 -9.097 -1.107 83 3HD1 LEU 12 HD13 LEU 12 5.605 -8.426 -2.774 84 1HD2 LEU 12 HD21 LEU 12 3.216 -7.169 -0.175 85 2HD2 LEU 12 HD22 LEU 12 4.182 -5.745 0.349 86 3HD2 LEU 12 HD23 LEU 12 4.679 -7.409 0.848 87 HA PRO 13 HA PRO 13 7.787 -6.616 1.703 88 1HB PRO 13 HB2 PRO 13 9.692 -5.114 3.564 89 2HB PRO 13 HB1 PRO 13 9.456 -6.901 3.417 90 1HG PRO 13 HG1 PRO 13 11.695 -5.680 2.393 91 2HG PRO 13 HG2 PRO 13 10.862 -7.002 1.467 92 1HD PRO 13 HD1 PRO 13 10.574 -3.963 1.060 93 2HD PRO 13 HD2 PRO 13 10.813 -5.273 -0.184 94 H ILE 14 HN ILE 14 6.090 -6.117 3.355 95 HA ILE 14 HA ILE 14 5.636 -3.242 3.581 96 HB ILE 14 HB ILE 14 3.982 -4.246 2.229 97 1HG1 ILE 14 HG12 ILE 14 3.484 -2.331 3.816 98 2HG1 ILE 14 HG11 ILE 14 2.120 -3.270 3.153 99 1HG2 ILE 14 HG21 ILE 14 4.019 -6.597 2.994 100 2HG2 ILE 14 HG22 ILE 14 2.356 -5.914 3.057 101 3HG2 ILE 14 HG23 ILE 14 3.296 -6.125 4.574 102 1HD1 ILE 14 HD11 ILE 14 3.167 -3.531 6.042 103 2HD1 ILE 14 HD12 ILE 14 1.816 -4.480 5.312 104 3HD1 ILE 14 HD13 ILE 14 1.673 -2.698 5.497 105 H LEU 15 HN LEU 15 6.510 -2.599 5.398 106 HA LEU 15 HA LEU 15 5.258 -3.673 7.755 107 1HB LEU 15 HB2 LEU 15 8.306 -2.978 7.673 108 2HB LEU 15 HB1 LEU 15 7.305 -3.105 9.152 109 HG LEU 15 HG LEU 15 6.833 -5.568 8.342 110 1HD1 LEU 15 HD11 LEU 15 9.510 -5.025 6.886 111 2HD1 LEU 15 HD12 LEU 15 7.949 -5.462 6.105 112 3HD1 LEU 15 HD13 LEU 15 8.770 -6.643 7.180 113 1HD2 LEU 15 HD21 LEU 15 8.813 -6.349 9.643 114 2HD2 LEU 15 HD22 LEU 15 8.024 -4.937 10.431 115 3HD2 LEU 15 HD23 LEU 15 9.559 -4.715 9.509 116 H LYS 16 HN LYS 16 7.672 -1.401 6.442 117 HA LYS 16 HA LYS 16 5.733 0.750 6.622 118 1HB LYS 16 HB2 LYS 16 7.743 1.181 8.121 119 2HB LYS 16 HB1 LYS 16 8.845 0.831 6.758 120 1HG LYS 16 HG2 LYS 16 6.804 3.161 6.725 121 2HG LYS 16 HG1 LYS 16 8.426 3.259 7.488 122 1HD LYS 16 HD2 LYS 16 9.410 2.482 5.211 123 2HD LYS 16 HD1 LYS 16 7.824 2.937 4.507 124 1HE LYS 16 HE2 LYS 16 9.737 4.786 6.094 125 2HE LYS 16 HE1 LYS 16 9.460 4.805 4.304 126 1HZ LYS 16 HZ1 LYS 16 8.215 6.479 5.447 127 2HZ LYS 16 HZ2 LYS 16 7.435 5.381 6.359 128 3HZ LYS 16 HZ3 LYS 16 7.197 5.417 4.749 129 H ASN 17 HN ASN 17 5.753 1.682 4.309 130 HA ASN 17 HA ASN 17 7.453 0.623 2.429 131 1HB ASN 17 HB2 ASN 17 5.697 -1.378 2.673 132 2HB ASN 17 HB1 ASN 17 4.491 -0.228 1.997 133 1HD2 ASN 17 HD21 ASN 17 7.393 -2.243 1.341 134 2HD2 ASN 17 HD22 ASN 17 7.545 -1.831 -0.354 135 H GLY 18 HN GLY 18 5.630 1.458 0.298 136 1HA GLY 18 HA2 GLY 18 5.371 4.270 0.906 137 2HA GLY 18 HA1 GLY 18 4.964 3.367 -0.618 138 H LEU 19 HN LEU 19 3.388 5.268 1.462 139 HA LEU 19 HA LEU 19 1.724 3.323 2.743 140 1HB LEU 19 HB2 LEU 19 1.676 6.406 2.867 141 2HB LEU 19 HB1 LEU 19 0.697 5.297 3.880 142 HG LEU 19 HG LEU 19 2.430 6.114 5.229 143 1HD1 LEU 19 HD11 LEU 19 1.921 3.679 5.521 144 2HD1 LEU 19 HD12 LEU 19 3.599 4.102 6.019 145 3HD1 LEU 19 HD13 LEU 19 3.324 3.256 4.458 146 1HD2 LEU 19 HD21 LEU 19 4.056 6.893 3.475 147 2HD2 LEU 19 HD22 LEU 19 4.657 5.191 3.317 148 3HD2 LEU 19 HD23 LEU 19 4.819 6.059 4.876 149 H CYS 20 HN CYS 20 -0.402 2.873 2.231 150 HA CYS 20 HA CYS 20 -1.373 4.051 -0.248 151 1HB CYS 20 HB2 CYS 20 -2.556 1.840 1.520 152 2HB CYS 20 HB1 CYS 20 -3.183 2.359 -0.079 153 H CYS 21 HN CYS 21 -3.436 5.185 -0.324 154 HA CYS 21 HA CYS 21 -3.904 6.745 1.989 155 1HB CYS 21 HB2 CYS 21 -5.181 6.548 -0.737 156 2HB CYS 21 HB1 CYS 21 -6.231 7.168 0.562 157 H SER 22 HN SER 22 -5.420 3.693 0.893 158 HA SER 22 HA SER 22 -7.372 3.864 3.021 159 1HB SER 22 HB2 SER 22 -7.938 1.487 2.127 160 2HB SER 22 HB1 SER 22 -8.267 2.894 1.061 161 HG SER 22 HG SER 22 -6.418 0.852 0.820 162 H GLY 23 HN GLY 23 -4.091 3.388 3.069 163 1HA GLY 23 HA2 GLY 23 -3.041 2.943 4.951 164 2HA GLY 23 HA1 GLY 23 -4.430 1.965 5.566 165 H ALA 24 HN ALA 24 -4.764 0.004 3.673 166 HA ALA 24 HA ALA 24 -2.459 -1.534 4.526 167 1HB ALA 24 HB1 ALA 24 -4.718 -2.579 4.776 168 2HB ALA 24 HB2 ALA 24 -3.654 -3.546 3.698 169 3HB ALA 24 HB3 ALA 24 -4.936 -2.504 2.990 170 H CYS 25 HN CYS 25 -1.010 -2.748 3.128 171 HA CYS 25 HA CYS 25 -1.051 -2.190 0.323 172 1HB CYS 25 HB2 CYS 25 0.563 -0.416 1.146 173 2HB CYS 25 HB1 CYS 25 1.200 -1.545 2.348 174 H VAL 26 HN VAL 26 -0.475 -4.242 -0.511 175 HA VAL 26 HA VAL 26 1.242 -5.960 0.935 176 HB VAL 26 HB VAL 26 -0.722 -6.627 2.140 177 1HG1 VAL 26 HG11 VAL 26 -2.808 -7.400 1.114 178 2HG1 VAL 26 HG12 VAL 26 -2.173 -7.119 -0.542 179 3HG1 VAL 26 HG13 VAL 26 -2.467 -5.726 0.569 180 1HG2 VAL 26 HG21 VAL 26 -0.106 -8.753 -0.010 181 2HG2 VAL 26 HG22 VAL 26 -0.780 -9.028 1.632 182 3HG2 VAL 26 HG23 VAL 26 0.898 -8.401 1.447 183 H GLY 27 HN GLY 27 2.008 -4.652 -1.122 184 1HA GLY 27 HA2 GLY 27 2.873 -5.066 -3.139 185 2HA GLY 27 HA1 GLY 27 1.748 -6.458 -3.391 186 H VAL 28 HN VAL 28 -0.675 -5.561 -3.083 187 HA VAL 28 HA VAL 28 -1.001 -3.152 -4.750 188 HB VAL 28 HB VAL 28 -3.441 -3.839 -4.826 189 1HG1 VAL 28 HG11 VAL 28 -1.853 -4.068 -6.729 190 2HG1 VAL 28 HG12 VAL 28 -3.001 -5.455 -6.700 191 3HG1 VAL 28 HG13 VAL 28 -1.308 -5.671 -6.118 192 1HG2 VAL 28 HG21 VAL 28 -2.301 -6.556 -3.814 193 2HG2 VAL 28 HG22 VAL 28 -3.974 -6.230 -4.375 194 3HG2 VAL 28 HG23 VAL 28 -3.374 -5.453 -2.870 195 H CYS 29 HN CYS 29 -2.526 -1.585 -3.892 196 HA CYS 29 HA CYS 29 -2.452 -1.439 -0.975 197 1HB CYS 29 HB2 CYS 29 -3.670 0.330 -3.166 198 2HB CYS 29 HB1 CYS 29 -3.845 0.690 -1.414 199 H ALA 30 HN ALA 30 -4.395 -1.545 0.330 200 HA ALA 30 HA ALA 30 -6.852 -2.222 -1.047 201 1HB ALA 30 HB1 ALA 30 -5.520 -4.249 0.890 202 2HB ALA 30 HB2 ALA 30 -5.687 -4.490 -0.886 203 3HB ALA 30 HB3 ALA 30 -7.156 -4.419 0.129 204 H ASP 31 HN ASP 31 -7.790 -3.379 1.624 205 HA ASP 31 HA ASP 31 -7.218 -1.333 3.494 206 1HB ASP 31 HB2 ASP 31 -9.679 -1.192 4.157 207 2HB ASP 31 HB1 ASP 31 -9.331 -0.332 2.620 208 H LEU 32 HN LEU 32 -8.042 -2.554 5.651 209 HA LEU 32 HA LEU 32 -8.639 -5.255 5.371 210 1HB LEU 32 HB2 LEU 32 -5.954 -4.305 6.629 211 2HB LEU 32 HB1 LEU 32 -6.733 -5.864 7.059 212 HG LEU 32 HG LEU 32 -5.727 -5.132 4.244 213 1HD1 LEU 32 HD11 LEU 32 -4.374 -6.885 6.393 214 2HD1 LEU 32 HD12 LEU 32 -3.830 -5.259 5.838 215 3HD1 LEU 32 HD13 LEU 32 -3.812 -6.651 4.697 216 1HD2 LEU 32 HD21 LEU 32 -6.692 -7.830 5.405 217 2HD2 LEU 32 HD22 LEU 32 -5.934 -7.589 3.787 218 3HD2 LEU 32 HD23 LEU 32 -7.520 -6.834 4.145 219 1HN NH2 33 H1 NH2 33 -9.498 -4.262 8.827 220 2HN NH2 33 H2 NH2 33 -9.060 -5.671 7.923 Start of MODEL 2 1 1H ASP 1 HT1 ASP 1 -3.597 15.999 0.800 2 2H ASP 1 HT2 ASP 1 -3.947 14.591 0.048 3 3H ASP 1 HT3 ASP 1 -3.146 15.750 -0.760 4 HA ASP 1 HA ASP 1 -1.283 15.562 0.759 5 1HB ASP 1 HB2 ASP 1 -2.865 13.008 1.580 6 2HB ASP 1 HB1 ASP 1 -1.120 13.265 1.949 7 H ASP 2 HN ASP 2 -0.479 12.515 0.282 8 HA ASP 2 HA ASP 2 -1.009 12.179 -2.468 9 1HB ASP 2 HB2 ASP 2 1.861 12.415 -1.262 10 2HB ASP 2 HB1 ASP 2 1.497 11.639 -2.848 11 H CYS 3 HN CYS 3 -0.397 9.676 -2.625 12 HA CYS 3 HA CYS 3 0.431 8.284 -0.461 13 1HB CYS 3 HB2 CYS 3 -1.770 7.125 0.094 14 2HB CYS 3 HB1 CYS 3 -1.750 8.808 0.683 15 H ILE 4 HN ILE 4 -0.473 5.913 -1.315 16 HA ILE 4 HA ILE 4 -0.461 6.049 -4.232 17 HB ILE 4 HB ILE 4 -0.150 3.635 -2.391 18 1HG1 ILE 4 HG12 ILE 4 1.870 5.454 -3.822 19 2HG1 ILE 4 HG11 ILE 4 1.707 5.244 -2.058 20 1HG2 ILE 4 HG21 ILE 4 -1.003 3.027 -4.686 21 2HG2 ILE 4 HG22 ILE 4 0.667 2.489 -4.449 22 3HG2 ILE 4 HG23 ILE 4 0.360 3.959 -5.436 23 1HD1 ILE 4 HD11 ILE 4 2.681 3.087 -4.030 24 2HD1 ILE 4 HD12 ILE 4 2.362 2.829 -2.263 25 3HD1 ILE 4 HD13 ILE 4 3.628 3.988 -2.808 26 H LYS 5 HN LYS 5 -2.058 4.715 -5.302 27 HA LYS 5 HA LYS 5 -4.596 5.659 -4.515 28 1HB LYS 5 HB2 LYS 5 -3.681 5.675 -6.878 29 2HB LYS 5 HB1 LYS 5 -3.649 3.879 -6.856 30 1HG LYS 5 HG2 LYS 5 -6.134 3.825 -6.685 31 2HG LYS 5 HG1 LYS 5 -6.187 5.626 -6.717 32 1HD LYS 5 HD2 LYS 5 -5.074 5.599 -8.974 33 2HD LYS 5 HD1 LYS 5 -5.006 3.803 -8.918 34 1HE LYS 5 HE2 LYS 5 -7.575 5.539 -8.999 35 2HE LYS 5 HE1 LYS 5 -6.878 4.564 -10.354 36 1HZ LYS 5 HZ1 LYS 5 -7.274 2.609 -9.044 37 2HZ LYS 5 HZ2 LYS 5 -8.657 3.450 -9.239 38 3HZ LYS 5 HZ3 LYS 5 -7.881 3.477 -7.812 39 HA HYP 6 HA HYP 6 -5.675 1.717 -2.733 40 1HB HYP 6 HB1 HYP 6 -7.948 1.742 -1.965 41 2HB HYP 6 HB2 HYP 6 -8.533 2.462 -3.515 42 1HD HYP 6 HD1 HYP 6 -7.321 4.875 -4.195 43 2HD HYP 6 HD2 HYP 6 -6.075 5.382 -2.975 44 HOD HYP 6 HOD HYP 6 -6.662 2.980 -0.764 45 HG HYP 6 HG HYP 6 -8.468 4.445 -2.059 46 H TYR 7 HN TYR 7 -5.687 -0.357 -3.629 47 HA TYR 7 HA TYR 7 -5.377 -1.815 -5.047 48 1HB TYR 7 HB2 TYR 7 -7.895 -0.865 -6.490 49 2HB TYR 7 HB1 TYR 7 -7.063 -2.453 -6.741 50 HD1 TYR 7 HD1 TYR 7 -6.685 -3.963 -4.704 51 HD2 TYR 7 HD2 TYR 7 -9.349 -0.597 -4.604 52 HE1 TYR 7 HE1 TYR 7 -7.723 -4.851 -2.642 53 HE2 TYR 7 HE2 TYR 7 -10.397 -1.473 -2.558 54 HH TYR 7 HH TYR 7 -10.278 -3.062 -0.889 55 H GLY 8 HN GLY 8 -3.906 0.637 -5.421 56 1HA GLY 8 HA2 GLY 8 -3.003 0.055 -8.169 57 2HA GLY 8 HA1 GLY 8 -2.609 1.505 -7.144 58 H PHE 9 HN PHE 9 -0.361 0.138 -8.023 59 HA PHE 9 HA PHE 9 0.246 -2.038 -6.230 60 1HB PHE 9 HB2 PHE 9 2.186 -0.566 -8.140 61 2HB PHE 9 HB1 PHE 9 2.423 -2.178 -7.383 62 HD1 PHE 9 HD1 PHE 9 0.295 -3.885 -7.978 63 HD2 PHE 9 HD2 PHE 9 1.761 -0.622 -10.376 64 HE1 PHE 9 HE1 PHE 9 -0.537 -5.002 -10.031 65 HE2 PHE 9 HE2 PHE 9 0.921 -1.742 -12.409 66 HZ PHE 9 HZ PHE 9 -0.212 -3.940 -12.240 67 H CYS 10 HN CYS 10 1.479 -1.801 -4.329 68 HA CYS 10 HA CYS 10 2.647 0.894 -3.894 69 1HB CYS 10 HB2 CYS 10 2.335 0.382 -1.408 70 2HB CYS 10 HB1 CYS 10 0.868 0.720 -2.354 71 H SER 11 HN SER 11 3.262 -2.569 -4.122 72 HA SER 11 HA SER 11 5.520 -2.548 -2.429 73 1HB SER 11 HB2 SER 11 5.908 -4.787 -3.797 74 2HB SER 11 HB1 SER 11 4.485 -4.661 -2.716 75 HG SER 11 HG SER 11 4.027 -5.437 -4.851 76 H LEU 12 HN LEU 12 5.258 -2.986 -6.094 77 HA LEU 12 HA LEU 12 7.143 -1.063 -6.570 78 1HB LEU 12 HB2 LEU 12 8.926 -2.443 -7.563 79 2HB LEU 12 HB1 LEU 12 8.724 -2.921 -5.870 80 HG LEU 12 HG LEU 12 9.216 -4.847 -7.065 81 1HD1 LEU 12 HD11 LEU 12 6.175 -5.090 -6.669 82 2HD1 LEU 12 HD12 LEU 12 7.435 -5.249 -5.386 83 3HD1 LEU 12 HD13 LEU 12 7.378 -6.432 -6.744 84 1HD2 LEU 12 HD21 LEU 12 8.222 -5.774 -9.044 85 2HD2 LEU 12 HD22 LEU 12 8.699 -4.072 -9.388 86 3HD2 LEU 12 HD23 LEU 12 6.962 -4.498 -9.123 87 HA PRO 13 HA PRO 13 8.167 -1.454 -9.317 88 1HB PRO 13 HB2 PRO 13 6.479 0.160 -11.286 89 2HB PRO 13 HB1 PRO 13 7.964 -0.816 -11.612 90 1HG PRO 13 HG1 PRO 13 5.493 -1.760 -12.341 91 2HG PRO 13 HG2 PRO 13 6.710 -2.877 -11.592 92 1HD PRO 13 HD1 PRO 13 4.375 -1.452 -10.177 93 2HD PRO 13 HD2 PRO 13 4.884 -3.198 -10.086 94 H ILE 14 HN ILE 14 9.099 0.841 -9.472 95 HA ILE 14 HA ILE 14 7.926 2.436 -7.431 96 HB ILE 14 HB ILE 14 10.249 2.296 -7.337 97 1HG1 ILE 14 HG12 ILE 14 11.095 4.597 -7.613 98 2HG1 ILE 14 HG11 ILE 14 9.672 5.048 -8.599 99 1HG2 ILE 14 HG21 ILE 14 10.361 3.071 -10.324 100 2HG2 ILE 14 HG22 ILE 14 10.779 1.471 -9.599 101 3HG2 ILE 14 HG23 ILE 14 11.775 2.910 -9.226 102 1HD1 ILE 14 HD11 ILE 14 9.477 5.862 -6.252 103 2HD1 ILE 14 HD12 ILE 14 9.589 4.175 -5.625 104 3HD1 ILE 14 HD13 ILE 14 8.168 4.689 -6.616 105 H LEU 15 HN LEU 15 5.956 3.138 -8.093 106 HA LEU 15 HA LEU 15 6.122 5.336 -10.051 107 1HB LEU 15 HB2 LEU 15 3.572 3.934 -8.939 108 2HB LEU 15 HB1 LEU 15 3.588 5.440 -9.906 109 HG LEU 15 HG LEU 15 2.880 3.761 -11.351 110 1HD1 LEU 15 HD11 LEU 15 4.584 5.327 -12.343 111 2HD1 LEU 15 HD12 LEU 15 4.511 3.738 -13.181 112 3HD1 LEU 15 HD13 LEU 15 5.868 4.093 -12.052 113 1HD2 LEU 15 HD21 LEU 15 5.271 1.959 -10.629 114 2HD2 LEU 15 HD22 LEU 15 3.959 1.593 -11.813 115 3HD2 LEU 15 HD23 LEU 15 3.574 1.755 -10.060 116 H LYS 16 HN LYS 16 4.751 4.165 -6.929 117 HA LYS 16 HA LYS 16 6.428 6.060 -5.723 118 1HB LYS 16 HB2 LYS 16 3.437 5.723 -5.029 119 2HB LYS 16 HB1 LYS 16 4.650 6.321 -3.836 120 1HG LYS 16 HG2 LYS 16 5.072 8.321 -5.312 121 2HG LYS 16 HG1 LYS 16 3.904 7.664 -6.502 122 1HD LYS 16 HD2 LYS 16 2.747 9.386 -5.289 123 2HD LYS 16 HD1 LYS 16 2.064 7.807 -4.788 124 1HE LYS 16 HE2 LYS 16 2.275 9.266 -2.823 125 2HE LYS 16 HE1 LYS 16 3.461 7.914 -2.652 126 1HZ LYS 16 HZ1 LYS 16 5.139 9.437 -3.441 127 2HZ LYS 16 HZ2 LYS 16 4.404 10.026 -2.112 128 3HZ LYS 16 HZ3 LYS 16 4.056 10.645 -3.576 129 H ASN 17 HN ASN 17 6.742 4.879 -3.616 130 HA ASN 17 HA ASN 17 5.786 2.117 -3.536 131 1HB ASN 17 HB2 ASN 17 8.240 1.823 -4.010 132 2HB ASN 17 HB1 ASN 17 8.631 3.230 -2.968 133 1HD2 ASN 17 HD22 ASN 17 7.169 -0.155 -2.714 134 2HD2 ASN 17 HD21 ASN 17 7.644 -0.358 -1.062 135 H GLY 18 HN GLY 18 5.006 1.815 -1.321 136 1HA GLY 18 HA2 GLY 18 5.469 2.423 0.921 137 2HA GLY 18 HA1 GLY 18 5.476 4.158 0.442 138 H LEU 19 HN LEU 19 3.722 5.139 1.284 139 HA LEU 19 HA LEU 19 1.793 3.594 2.530 140 1HB LEU 19 HB2 LEU 19 2.758 5.769 3.404 141 2HB LEU 19 HB1 LEU 19 1.911 6.638 2.092 142 HG LEU 19 HG LEU 19 -0.306 5.878 3.069 143 1HD1 LEU 19 HD11 LEU 19 0.398 3.850 4.332 144 2HD1 LEU 19 HD12 LEU 19 -0.390 5.046 5.419 145 3HD1 LEU 19 HD13 LEU 19 1.402 4.860 5.439 146 1HD2 LEU 19 HD21 LEU 19 -0.293 7.483 4.954 147 2HD2 LEU 19 HD22 LEU 19 0.599 8.127 3.530 148 3HD2 LEU 19 HD23 LEU 19 1.506 7.502 4.966 149 H CYS 20 HN CYS 20 -0.236 2.993 1.993 150 HA CYS 20 HA CYS 20 -1.486 3.981 -0.438 151 1HB CYS 20 HB2 CYS 20 -2.337 1.900 1.684 152 2HB CYS 20 HB1 CYS 20 -3.219 2.228 0.166 153 H CYS 21 HN CYS 21 -3.531 5.153 -0.356 154 HA CYS 21 HA CYS 21 -3.948 6.654 2.002 155 1HB CYS 21 HB2 CYS 21 -5.395 6.387 -0.639 156 2HB CYS 21 HB1 CYS 21 -6.390 6.928 0.734 157 H SER 22 HN SER 22 -5.433 3.602 0.838 158 HA SER 22 HA SER 22 -7.210 3.570 3.103 159 1HB SER 22 HB2 SER 22 -7.854 1.324 2.042 160 2HB SER 22 HB1 SER 22 -8.143 2.800 1.053 161 HG SER 22 HG SER 22 -6.244 0.769 0.785 162 H GLY 23 HN GLY 23 -3.969 3.330 3.098 163 1HA GLY 23 HA2 GLY 23 -2.874 2.834 4.914 164 2HA GLY 23 HA1 GLY 23 -4.211 1.783 5.503 165 H ALA 24 HN ALA 24 -4.437 -0.278 3.835 166 HA ALA 24 HA ALA 24 -1.982 -1.551 4.686 167 1HB ALA 24 HB1 ALA 24 -3.104 -3.710 4.179 168 2HB ALA 24 HB2 ALA 24 -4.465 -2.825 3.400 169 3HB ALA 24 HB3 ALA 24 -4.177 -2.659 5.170 170 H CYS 25 HN CYS 25 -0.416 -2.603 3.351 171 HA CYS 25 HA CYS 25 -0.813 -2.326 0.461 172 1HB CYS 25 HB2 CYS 25 1.029 -0.744 1.253 173 2HB CYS 25 HB1 CYS 25 1.785 -2.093 2.144 174 H VAL 26 HN VAL 26 -0.840 -4.437 -0.371 175 HA VAL 26 HA VAL 26 0.814 -6.411 0.944 176 HB VAL 26 HB VAL 26 -1.224 -6.752 2.176 177 1HG1 VAL 26 HG11 VAL 26 -2.872 -5.654 0.723 178 2HG1 VAL 26 HG12 VAL 26 -3.386 -7.337 1.073 179 3HG1 VAL 26 HG13 VAL 26 -2.695 -6.941 -0.536 180 1HG2 VAL 26 HG21 VAL 26 -0.950 -8.974 0.058 181 2HG2 VAL 26 HG22 VAL 26 -1.563 -9.118 1.746 182 3HG2 VAL 26 HG23 VAL 26 0.165 -8.722 1.452 183 H GLY 27 HN GLY 27 1.583 -5.044 -1.049 184 1HA GLY 27 HA2 GLY 27 2.469 -5.531 -3.079 185 2HA GLY 27 HA1 GLY 27 1.127 -6.678 -3.440 186 H VAL 28 HN VAL 28 -1.087 -5.559 -3.137 187 HA VAL 28 HA VAL 28 -1.102 -3.041 -4.634 188 HB VAL 28 HB VAL 28 -3.539 -3.426 -4.911 189 1HG1 VAL 28 HG11 VAL 28 -1.893 -4.072 -6.659 190 2HG1 VAL 28 HG12 VAL 28 -3.281 -5.220 -6.637 191 3HG1 VAL 28 HG13 VAL 28 -1.701 -5.704 -5.912 192 1HG2 VAL 28 HG21 VAL 28 -4.485 -5.697 -4.381 193 2HG2 VAL 28 HG22 VAL 28 -3.983 -4.839 -2.893 194 3HG2 VAL 28 HG23 VAL 28 -2.957 -6.164 -3.566 195 H CYS 29 HN CYS 29 -2.528 -1.407 -3.774 196 HA CYS 29 HA CYS 29 -2.480 -1.241 -0.896 197 1HB CYS 29 HB2 CYS 29 -3.738 0.469 -3.126 198 2HB CYS 29 HB1 CYS 29 -3.957 0.865 -1.385 199 H ALA 30 HN ALA 30 -4.073 -1.874 0.466 200 HA ALA 30 HA ALA 30 -6.722 -2.443 -0.708 201 1HB ALA 30 HB1 ALA 30 -6.874 -4.525 0.674 202 2HB ALA 30 HB2 ALA 30 -5.196 -4.254 1.292 203 3HB ALA 30 HB3 ALA 30 -5.475 -4.660 -0.435 204 H ASP 31 HN ASP 31 -7.426 -3.379 2.116 205 HA ASP 31 HA ASP 31 -6.800 -1.190 3.777 206 1HB ASP 31 HB2 ASP 31 -9.282 -1.054 4.533 207 2HB ASP 31 HB1 ASP 31 -8.926 -0.230 2.985 208 H LEU 32 HN LEU 32 -7.821 -2.243 6.038 209 HA LEU 32 HA LEU 32 -8.190 -5.022 5.886 210 1HB LEU 32 HB2 LEU 32 -5.803 -3.656 7.334 211 2HB LEU 32 HB1 LEU 32 -6.522 -5.171 7.971 212 HG LEU 32 HG LEU 32 -5.313 -4.937 5.161 213 1HD1 LEU 32 HD11 LEU 32 -3.295 -6.129 6.128 214 2HD1 LEU 32 HD12 LEU 32 -3.977 -5.893 7.775 215 3HD1 LEU 32 HD13 LEU 32 -3.523 -4.463 6.778 216 1HD2 LEU 32 HD21 LEU 32 -6.930 -6.834 5.446 217 2HD2 LEU 32 HD22 LEU 32 -5.980 -7.430 6.859 218 3HD2 LEU 32 HD23 LEU 32 -5.247 -7.415 5.217 219 1HN NH2 33 H1 NH2 33 -9.300 -5.271 8.126 220 2HN NH2 33 H2 NH2 33 -9.963 -3.832 8.825 Start of MODEL 3 1 1H ASP 1 HT1 ASP 1 4.751 10.210 -2.581 2 2H ASP 1 HT2 ASP 1 5.353 11.720 -2.430 3 3H ASP 1 HT3 ASP 1 5.691 10.808 -3.756 4 HA ASP 1 HA ASP 1 4.084 12.472 -4.291 5 1HB ASP 1 HB2 ASP 1 3.846 10.038 -5.260 6 2HB ASP 1 HB1 ASP 1 2.574 9.769 -4.022 7 H ASP 2 HN ASP 2 1.170 11.422 -3.367 8 HA ASP 2 HA ASP 2 1.244 12.856 -0.807 9 1HB ASP 2 HB2 ASP 2 -0.376 13.611 -2.627 10 2HB ASP 2 HB1 ASP 2 -1.174 12.008 -2.540 11 H CYS 3 HN CYS 3 -0.579 10.067 -2.257 12 HA CYS 3 HA CYS 3 0.534 8.278 -0.368 13 1HB CYS 3 HB2 CYS 3 -1.675 7.314 0.318 14 2HB CYS 3 HB1 CYS 3 -1.497 8.975 0.953 15 H ILE 4 HN ILE 4 -0.440 6.083 -1.226 16 HA ILE 4 HA ILE 4 -0.469 6.263 -4.130 17 HB ILE 4 HB ILE 4 -0.353 3.809 -2.319 18 1HG1 ILE 4 HG12 ILE 4 1.971 5.366 -3.615 19 2HG1 ILE 4 HG11 ILE 4 1.604 5.288 -1.864 20 1HG2 ILE 4 HG21 ILE 4 0.317 4.207 -5.326 21 2HG2 ILE 4 HG22 ILE 4 -1.148 3.372 -4.675 22 3HG2 ILE 4 HG23 ILE 4 0.465 2.665 -4.413 23 1HD1 ILE 4 HD11 ILE 4 2.445 2.877 -3.597 24 2HD1 ILE 4 HD12 ILE 4 2.025 2.825 -1.839 25 3HD1 ILE 4 HD13 ILE 4 3.452 3.747 -2.397 26 H LYS 5 HN LYS 5 -2.276 5.310 -5.275 27 HA LYS 5 HA LYS 5 -4.732 5.923 -3.958 28 1HB LYS 5 HB2 LYS 5 -4.065 6.862 -6.169 29 2HB LYS 5 HB1 LYS 5 -4.107 5.227 -6.892 30 1HG LYS 5 HG2 LYS 5 -6.541 6.624 -5.573 31 2HG LYS 5 HG1 LYS 5 -6.062 6.913 -7.277 32 1HD LYS 5 HD2 LYS 5 -7.006 4.241 -6.106 33 2HD LYS 5 HD1 LYS 5 -7.917 5.341 -7.174 34 1HE LYS 5 HE2 LYS 5 -6.275 4.950 -9.035 35 2HE LYS 5 HE1 LYS 5 -5.335 3.818 -7.977 36 1HZ LYS 5 HZ1 LYS 5 -7.376 2.522 -7.806 37 2HZ LYS 5 HZ2 LYS 5 -6.783 2.597 -9.321 38 3HZ LYS 5 HZ3 LYS 5 -8.094 3.475 -8.915 39 HA HYP 6 HA HYP 6 -5.152 1.713 -3.180 40 1HB HYP 6 HB1 HYP 6 -7.234 1.201 -2.066 41 2HB HYP 6 HB2 HYP 6 -8.172 2.214 -3.234 42 1HD HYP 6 HD1 HYP 6 -7.431 4.741 -3.526 43 2HD HYP 6 HD2 HYP 6 -5.978 5.215 -2.547 44 HOD HYP 6 HOD HYP 6 -5.944 2.373 -0.601 45 HG HYP 6 HG HYP 6 -7.807 3.732 -1.249 46 H TYR 7 HN TYR 7 -5.580 -0.348 -3.990 47 HA TYR 7 HA TYR 7 -5.868 -1.877 -5.434 48 1HB TYR 7 HB2 TYR 7 -7.684 -0.120 -7.172 49 2HB TYR 7 HB1 TYR 7 -7.490 -1.915 -7.270 50 HD1 TYR 7 HD1 TYR 7 -7.768 -3.165 -4.906 51 HD2 TYR 7 HD2 TYR 7 -9.420 0.697 -5.815 52 HE1 TYR 7 HE1 TYR 7 -9.261 -3.365 -2.979 53 HE2 TYR 7 HE2 TYR 7 -10.961 0.495 -3.888 54 HH TYR 7 HH TYR 7 -10.744 -2.286 -1.635 55 H GLY 8 HN GLY 8 -4.162 0.851 -5.874 56 1HA GLY 8 HA2 GLY 8 -2.930 -0.006 -8.371 57 2HA GLY 8 HA1 GLY 8 -2.484 1.367 -7.262 58 H PHE 9 HN PHE 9 -0.361 -0.257 -8.019 59 HA PHE 9 HA PHE 9 -0.063 -2.363 -6.063 60 1HB PHE 9 HB2 PHE 9 2.008 -1.153 -8.013 61 2HB PHE 9 HB1 PHE 9 2.224 -2.653 -7.034 62 HD1 PHE 9 HD1 PHE 9 0.319 -4.479 -7.341 63 HD2 PHE 9 HD2 PHE 9 1.233 -1.418 -10.213 64 HE1 PHE 9 HE1 PHE 9 -0.701 -5.849 -9.132 65 HE2 PHE 9 HE2 PHE 9 0.229 -2.796 -12.001 66 HZ PHE 9 HZ PHE 9 -0.731 -5.019 -11.472 67 H CYS 10 HN CYS 10 1.494 -2.179 -4.254 68 HA CYS 10 HA CYS 10 1.897 0.651 -3.560 69 1HB CYS 10 HB2 CYS 10 2.349 -0.111 -1.264 70 2HB CYS 10 HB1 CYS 10 0.692 -0.408 -1.860 71 H SER 11 HN SER 11 3.757 1.153 -4.867 72 HA SER 11 HA SER 11 6.092 -0.428 -4.619 73 1HB SER 11 HB2 SER 11 6.853 1.905 -5.837 74 2HB SER 11 HB1 SER 11 5.903 0.649 -6.708 75 HG SER 11 HG SER 11 5.168 3.171 -6.098 76 H LEU 12 HN LEU 12 8.190 0.746 -3.833 77 HA LEU 12 HA LEU 12 7.812 2.814 -1.944 78 1HB LEU 12 HB2 LEU 12 9.360 0.186 -1.356 79 2HB LEU 12 HB1 LEU 12 9.520 1.690 -0.389 80 HG LEU 12 HG LEU 12 6.959 0.021 -0.686 81 1HD1 LEU 12 HD11 LEU 12 7.376 -0.822 1.579 82 2HD1 LEU 12 HD12 LEU 12 8.885 0.154 1.727 83 3HD1 LEU 12 HD13 LEU 12 8.792 -1.195 0.533 84 1HD2 LEU 12 HD21 LEU 12 6.063 1.316 1.228 85 2HD2 LEU 12 HD22 LEU 12 6.425 2.408 -0.151 86 3HD2 LEU 12 HD23 LEU 12 7.537 2.351 1.267 87 HA PRO 13 HA PRO 13 10.928 3.279 -0.988 88 1HB PRO 13 HB2 PRO 13 11.536 5.724 -2.768 89 2HB PRO 13 HB1 PRO 13 12.480 5.131 -1.333 90 1HG PRO 13 HG1 PRO 13 13.310 4.491 -3.854 91 2HG PRO 13 HG2 PRO 13 13.279 3.210 -2.565 92 1HD PRO 13 HD1 PRO 13 11.265 3.640 -4.835 93 2HD PRO 13 HD2 PRO 13 11.907 2.105 -4.104 94 H ILE 14 HN ILE 14 10.064 4.704 0.581 95 HA ILE 14 HA ILE 14 7.412 5.432 0.121 96 HB ILE 14 HB ILE 14 8.276 4.427 2.188 97 1HG1 ILE 14 HG12 ILE 14 6.934 7.160 2.629 98 2HG1 ILE 14 HG11 ILE 14 6.124 5.617 2.179 99 1HG2 ILE 14 HG21 ILE 14 10.503 5.618 2.274 100 2HG2 ILE 14 HG22 ILE 14 9.614 5.716 3.818 101 3HG2 ILE 14 HG23 ILE 14 9.655 7.143 2.731 102 1HD1 ILE 14 HD11 ILE 14 5.884 6.057 4.606 103 2HD1 ILE 14 HD12 ILE 14 7.666 6.138 4.813 104 3HD1 ILE 14 HD13 ILE 14 6.884 4.581 4.337 105 H LEU 15 HN LEU 15 10.423 7.216 -0.054 106 HA LEU 15 HA LEU 15 9.301 9.775 0.425 107 1HB LEU 15 HB2 LEU 15 11.853 9.050 -1.139 108 2HB LEU 15 HB1 LEU 15 11.458 10.667 -0.449 109 HG LEU 15 HG LEU 15 11.969 8.074 1.156 110 1HD1 LEU 15 HD11 LEU 15 13.762 10.550 0.759 111 2HD1 LEU 15 HD12 LEU 15 14.029 8.906 0.069 112 3HD1 LEU 15 HD13 LEU 15 14.096 9.156 1.851 113 1HD2 LEU 15 HD21 LEU 15 10.391 9.551 2.389 114 2HD2 LEU 15 HD22 LEU 15 11.497 10.959 2.160 115 3HD2 LEU 15 HD23 LEU 15 12.007 9.556 3.173 116 H LYS 16 HN LYS 16 9.741 7.714 -2.382 117 HA LYS 16 HA LYS 16 9.076 9.811 -4.268 118 1HB LYS 16 HB2 LYS 16 9.450 6.752 -4.561 119 2HB LYS 16 HB1 LYS 16 8.999 7.830 -5.923 120 1HG LYS 16 HG2 LYS 16 11.635 7.991 -4.323 121 2HG LYS 16 HG1 LYS 16 11.381 7.252 -5.940 122 1HD LYS 16 HD2 LYS 16 10.463 9.602 -6.677 123 2HD LYS 16 HD1 LYS 16 11.170 10.222 -5.152 124 1HE LYS 16 HE2 LYS 16 12.763 10.616 -6.965 125 2HE LYS 16 HE1 LYS 16 13.455 9.313 -5.912 126 1HZ LYS 16 HZ1 LYS 16 13.631 8.808 -8.228 127 2HZ LYS 16 HZ2 LYS 16 12.022 8.906 -8.448 128 3HZ LYS 16 HZ3 LYS 16 12.644 7.730 -7.508 129 H ASN 17 HN ASN 17 7.705 6.764 -2.965 130 HA ASN 17 HA ASN 17 5.225 7.241 -4.388 131 1HB ASN 17 HB2 ASN 17 6.065 4.839 -2.630 132 2HB ASN 17 HB1 ASN 17 4.574 4.982 -3.639 133 1HD2 ASN 17 HD21 ASN 17 8.156 4.677 -3.737 134 2HD2 ASN 17 HD22 ASN 17 8.214 4.074 -5.369 135 H GLY 18 HN GLY 18 4.752 5.525 -1.287 136 1HA GLY 18 HA2 GLY 18 4.780 7.426 0.517 137 2HA GLY 18 HA1 GLY 18 3.178 7.631 -0.367 138 H LEU 19 HN LEU 19 1.963 6.624 1.323 139 HA LEU 19 HA LEU 19 2.308 3.721 1.523 140 1HB LEU 19 HB2 LEU 19 0.981 5.720 3.482 141 2HB LEU 19 HB1 LEU 19 0.936 3.938 3.658 142 HG LEU 19 HG LEU 19 3.507 5.629 3.693 143 1HD1 LEU 19 HD11 LEU 19 1.841 4.535 6.042 144 2HD1 LEU 19 HD12 LEU 19 2.107 6.261 5.591 145 3HD1 LEU 19 HD13 LEU 19 3.488 5.267 6.172 146 1HD2 LEU 19 HD21 LEU 19 2.979 2.651 4.312 147 2HD2 LEU 19 HD22 LEU 19 4.503 3.521 4.723 148 3HD2 LEU 19 HD23 LEU 19 4.014 3.335 3.002 149 H CYS 20 HN CYS 20 -0.243 3.010 2.017 150 HA CYS 20 HA CYS 20 -1.585 4.021 -0.358 151 1HB CYS 20 HB2 CYS 20 -2.332 1.806 1.648 152 2HB CYS 20 HB1 CYS 20 -3.170 2.129 0.100 153 H CYS 21 HN CYS 21 -3.586 5.210 -0.242 154 HA CYS 21 HA CYS 21 -4.050 6.483 2.263 155 1HB CYS 21 HB2 CYS 21 -5.287 6.675 -0.479 156 2HB CYS 21 HB1 CYS 21 -6.357 7.102 0.885 157 H SER 22 HN SER 22 -5.312 3.509 0.863 158 HA SER 22 HA SER 22 -7.390 3.335 2.869 159 1HB SER 22 HB2 SER 22 -7.632 0.956 1.951 160 2HB SER 22 HB1 SER 22 -7.890 2.260 0.745 161 HG SER 22 HG SER 22 -5.801 0.431 1.042 162 H GLY 23 HN GLY 23 -4.023 3.218 3.146 163 1HA GLY 23 HA2 GLY 23 -3.122 2.725 5.134 164 2HA GLY 23 HA1 GLY 23 -4.359 1.462 5.462 165 H ALA 24 HN ALA 24 -4.249 -0.479 3.779 166 HA ALA 24 HA ALA 24 -1.655 -1.399 4.586 167 1HB ALA 24 HB1 ALA 24 -2.420 -3.671 4.122 168 2HB ALA 24 HB2 ALA 24 -3.861 -3.052 3.241 169 3HB ALA 24 HB3 ALA 24 -3.710 -2.802 5.022 170 H CYS 25 HN CYS 25 0.000 -2.198 3.381 171 HA CYS 25 HA CYS 25 -0.205 -2.096 0.459 172 1HB CYS 25 HB2 CYS 25 1.682 -0.712 1.310 173 2HB CYS 25 HB1 CYS 25 2.182 -2.017 2.423 174 H VAL 26 HN VAL 26 -0.620 -4.185 -0.313 175 HA VAL 26 HA VAL 26 0.542 -6.419 1.159 176 HB VAL 26 HB VAL 26 -1.626 -6.040 2.217 177 1HG1 VAL 26 HG11 VAL 26 -2.872 -6.154 -0.608 178 2HG1 VAL 26 HG12 VAL 26 -2.787 -4.722 0.479 179 3HG1 VAL 26 HG13 VAL 26 -3.761 -6.156 0.951 180 1HG2 VAL 26 HG21 VAL 26 -1.793 -8.496 0.361 181 2HG2 VAL 26 HG22 VAL 26 -2.608 -8.251 1.951 182 3HG2 VAL 26 HG23 VAL 26 -0.810 -8.386 1.871 183 H GLY 27 HN GLY 27 1.600 -5.221 -0.987 184 1HA GLY 27 HA2 GLY 27 2.375 -5.853 -3.012 185 2HA GLY 27 HA1 GLY 27 0.997 -7.019 -3.214 186 H VAL 28 HN VAL 28 -1.210 -5.751 -2.940 187 HA VAL 28 HA VAL 28 -1.103 -3.369 -4.666 188 HB VAL 28 HB VAL 28 -3.457 -3.549 -5.034 189 1HG1 VAL 28 HG11 VAL 28 -2.100 -6.298 -5.468 190 2HG1 VAL 28 HG12 VAL 28 -1.837 -4.839 -6.490 191 3HG1 VAL 28 HG13 VAL 28 -3.468 -5.599 -6.405 192 1HG2 VAL 28 HG21 VAL 28 -4.758 -5.554 -4.190 193 2HG2 VAL 28 HG22 VAL 28 -4.266 -4.431 -2.878 194 3HG2 VAL 28 HG23 VAL 28 -3.375 -5.983 -3.121 195 H CYS 29 HN CYS 29 -2.544 -1.581 -3.897 196 HA CYS 29 HA CYS 29 -2.300 -1.209 -1.022 197 1HB CYS 29 HB2 CYS 29 -3.357 0.487 -3.359 198 2HB CYS 29 HB1 CYS 29 -3.725 0.938 -1.662 199 H ALA 30 HN ALA 30 -3.849 -1.897 0.375 200 HA ALA 30 HA ALA 30 -6.599 -1.998 -0.538 201 1HB ALA 30 HB1 ALA 30 -5.728 -4.355 -1.049 202 2HB ALA 30 HB2 ALA 30 -6.987 -4.330 0.227 203 3HB ALA 30 HB3 ALA 30 -5.243 -4.498 0.676 204 H ASP 31 HN ASP 31 -6.762 -3.795 2.168 205 HA ASP 31 HA ASP 31 -6.133 -1.774 4.066 206 1HB ASP 31 HB2 ASP 31 -8.476 -1.892 5.050 207 2HB ASP 31 HB1 ASP 31 -8.441 -1.000 3.496 208 H LEU 32 HN LEU 32 -6.840 -3.146 6.265 209 HA LEU 32 HA LEU 32 -6.935 -5.908 5.892 210 1HB LEU 32 HB2 LEU 32 -4.570 -4.491 7.334 211 2HB LEU 32 HB1 LEU 32 -5.063 -6.172 7.722 212 HG LEU 32 HG LEU 32 -4.121 -5.284 4.934 213 1HD1 LEU 32 HD11 LEU 32 -2.269 -4.922 6.566 214 2HD1 LEU 32 HD12 LEU 32 -1.916 -6.294 5.451 215 3HD1 LEU 32 HD13 LEU 32 -2.436 -6.623 7.143 216 1HD2 LEU 32 HD21 LEU 32 -5.466 -7.362 4.887 217 2HD2 LEU 32 HD22 LEU 32 -4.449 -8.084 6.191 218 3HD2 LEU 32 HD23 LEU 32 -3.735 -7.739 4.574 219 1HN NH2 33 H1 NH2 33 -7.454 -6.442 8.389 220 2HN NH2 33 H2 NH2 33 -8.215 -5.164 9.282 Start of MODEL 4 1 1H ASP 1 HT1 ASP 1 2.728 11.210 1.547 2 2H ASP 1 HT2 ASP 1 3.871 11.731 2.597 3 3H ASP 1 HT3 ASP 1 4.185 11.646 0.996 4 HA ASP 1 HA ASP 1 2.418 13.518 2.392 5 1HB ASP 1 HB2 ASP 1 4.729 13.956 0.374 6 2HB ASP 1 HB1 ASP 1 3.656 15.269 0.977 7 H ASP 2 HN ASP 2 3.323 12.163 -0.826 8 HA ASP 2 HA ASP 2 0.534 12.446 -1.638 9 1HB ASP 2 HB2 ASP 2 2.641 12.474 -3.254 10 2HB ASP 2 HB1 ASP 2 2.737 10.714 -2.937 11 H CYS 3 HN CYS 3 0.140 9.588 -2.450 12 HA CYS 3 HA CYS 3 0.893 7.998 -0.233 13 1HB CYS 3 HB2 CYS 3 -1.380 7.246 0.388 14 2HB CYS 3 HB1 CYS 3 -1.205 8.980 0.756 15 H ILE 4 HN ILE 4 -0.756 5.845 -1.009 16 HA ILE 4 HA ILE 4 -0.300 5.745 -3.908 17 HB ILE 4 HB ILE 4 -0.140 3.361 -2.031 18 1HG1 ILE 4 HG12 ILE 4 2.100 5.142 -3.176 19 2HG1 ILE 4 HG11 ILE 4 1.686 4.905 -1.441 20 1HG2 ILE 4 HG21 ILE 4 0.913 2.306 -4.091 21 2HG2 ILE 4 HG22 ILE 4 0.603 3.818 -5.013 22 3HG2 ILE 4 HG23 ILE 4 -0.756 2.806 -4.397 23 1HD1 ILE 4 HD11 ILE 4 2.958 2.854 -3.341 24 2HD1 ILE 4 HD12 ILE 4 2.244 2.420 -1.735 25 3HD1 ILE 4 HD13 ILE 4 3.628 3.538 -1.825 26 H LYS 5 HN LYS 5 -1.842 4.337 -4.951 27 HA LYS 5 HA LYS 5 -4.321 5.560 -4.432 28 1HB LYS 5 HB2 LYS 5 -2.987 5.292 -6.634 29 2HB LYS 5 HB1 LYS 5 -3.501 3.578 -6.649 30 1HG LYS 5 HG2 LYS 5 -5.920 4.369 -6.778 31 2HG LYS 5 HG1 LYS 5 -5.312 6.071 -6.811 32 1HD LYS 5 HD2 LYS 5 -4.769 3.846 -8.880 33 2HD LYS 5 HD1 LYS 5 -5.850 5.263 -9.086 34 1HE LYS 5 HE2 LYS 5 -3.845 6.809 -8.975 35 2HE LYS 5 HE1 LYS 5 -2.761 5.376 -8.765 36 1HZ LYS 5 HZ1 LYS 5 -2.850 6.099 -11.006 37 2HZ LYS 5 HZ2 LYS 5 -4.458 5.881 -11.106 38 3HZ LYS 5 HZ3 LYS 5 -3.474 4.601 -10.889 39 HA HYP 6 HA HYP 6 -5.971 1.819 -2.699 40 1HB HYP 6 HB1 HYP 6 -8.308 2.091 -2.165 41 2HB HYP 6 HB2 HYP 6 -8.661 2.798 -3.790 42 1HD HYP 6 HD1 HYP 6 -7.179 5.035 -4.439 43 2HD HYP 6 HD2 HYP 6 -5.993 5.486 -3.145 44 HOD HYP 6 HOD HYP 6 -6.735 3.172 -1.058 45 HG HYP 6 HG HYP 6 -8.507 4.813 -2.348 46 H TYR 7 HN TYR 7 -5.888 -0.251 -3.546 47 HA TYR 7 HA TYR 7 -5.659 -1.803 -4.937 48 1HB TYR 7 HB2 TYR 7 -8.098 -0.670 -6.402 49 2HB TYR 7 HB1 TYR 7 -7.369 -2.293 -6.708 50 HD1 TYR 7 HD1 TYR 7 -9.578 -0.394 -4.503 51 HD2 TYR 7 HD2 TYR 7 -7.046 -3.864 -4.698 52 HE1 TYR 7 HE1 TYR 7 -10.578 -1.247 -2.410 53 HE2 TYR 7 HE2 TYR 7 -8.032 -4.713 -2.621 54 HH TYR 7 HH TYR 7 -9.450 -4.284 -0.896 55 H GLY 8 HN GLY 8 -4.163 0.702 -5.320 56 1HA GLY 8 HA2 GLY 8 -3.270 0.209 -8.075 57 2HA GLY 8 HA1 GLY 8 -2.767 1.506 -6.901 58 H PHE 9 HN PHE 9 -0.673 0.119 -7.992 59 HA PHE 9 HA PHE 9 -0.019 -2.165 -6.330 60 1HB PHE 9 HB2 PHE 9 0.493 -2.076 -8.860 61 2HB PHE 9 HB1 PHE 9 1.601 -0.701 -8.530 62 HD1 PHE 9 HD1 PHE 9 3.852 -1.154 -7.909 63 HD2 PHE 9 HD2 PHE 9 0.931 -4.292 -7.620 64 HE1 PHE 9 HE1 PHE 9 5.655 -2.785 -7.480 65 HE2 PHE 9 HE2 PHE 9 2.731 -5.926 -7.165 66 HZ PHE 9 HZ PHE 9 5.098 -5.177 -7.088 67 H CYS 10 HN CYS 10 1.764 -1.996 -4.726 68 HA CYS 10 HA CYS 10 2.566 0.809 -4.244 69 1HB CYS 10 HB2 CYS 10 2.764 0.210 -1.811 70 2HB CYS 10 HB1 CYS 10 1.108 0.396 -2.457 71 H SER 11 HN SER 11 4.732 1.189 -4.442 72 HA SER 11 HA SER 11 6.488 -0.698 -3.277 73 1HB SER 11 HB2 SER 11 8.279 0.168 -5.010 74 2HB SER 11 HB1 SER 11 7.199 -1.138 -5.621 75 HG SER 11 HG SER 11 7.518 0.729 -7.015 76 H LEU 12 HN LEU 12 8.307 1.111 -2.411 77 HA LEU 12 HA LEU 12 7.416 3.705 -2.844 78 1HB LEU 12 HB2 LEU 12 6.924 4.337 -0.493 79 2HB LEU 12 HB1 LEU 12 5.747 3.131 -1.081 80 HG LEU 12 HG LEU 12 7.346 1.363 0.117 81 1HD1 LEU 12 HD11 LEU 12 8.257 2.340 2.301 82 2HD1 LEU 12 HD12 LEU 12 8.021 3.987 1.618 83 3HD1 LEU 12 HD13 LEU 12 9.188 2.846 0.860 84 1HD2 LEU 12 HD21 LEU 12 4.957 1.840 0.679 85 2HD2 LEU 12 HD22 LEU 12 5.468 3.235 1.695 86 3HD2 LEU 12 HD23 LEU 12 5.946 1.563 2.157 87 HA PRO 13 HA PRO 13 8.226 5.646 -1.920 88 1HB PRO 13 HB2 PRO 13 10.310 7.430 -2.137 89 2HB PRO 13 HB1 PRO 13 9.794 6.776 -0.542 90 1HG PRO 13 HG1 PRO 13 12.109 5.839 -2.317 91 2HG PRO 13 HG2 PRO 13 12.133 6.139 -0.524 92 1HD PRO 13 HD1 PRO 13 11.766 3.599 -1.756 93 2HD PRO 13 HD2 PRO 13 11.126 3.998 -0.101 94 H ILE 14 HN ILE 14 8.302 7.182 -3.834 95 HA ILE 14 HA ILE 14 9.867 6.373 -6.081 96 HB ILE 14 HB ILE 14 8.273 4.774 -6.647 97 1HG1 ILE 14 HG12 ILE 14 7.280 7.323 -8.060 98 2HG1 ILE 14 HG11 ILE 14 8.782 6.424 -8.464 99 1HG2 ILE 14 HG21 ILE 14 6.033 6.664 -5.694 100 2HG2 ILE 14 HG22 ILE 14 6.612 5.140 -4.917 101 3HG2 ILE 14 HG23 ILE 14 5.790 5.077 -6.497 102 1HD1 ILE 14 HD11 ILE 14 7.406 4.396 -9.047 103 2HD1 ILE 14 HD12 ILE 14 6.938 5.840 -10.012 104 3HD1 ILE 14 HD13 ILE 14 5.899 5.301 -8.647 105 H LEU 15 HN LEU 15 7.134 8.217 -4.623 106 HA LEU 15 HA LEU 15 8.533 10.625 -5.568 107 1HB LEU 15 HB2 LEU 15 5.505 10.338 -4.973 108 2HB LEU 15 HB1 LEU 15 6.350 11.859 -5.435 109 HG LEU 15 HG LEU 15 6.074 9.385 -7.230 110 1HD1 LEU 15 HD11 LEU 15 4.473 10.805 -8.567 111 2HD1 LEU 15 HD12 LEU 15 4.522 12.051 -7.269 112 3HD1 LEU 15 HD13 LEU 15 3.866 10.412 -6.920 113 1HD2 LEU 15 HD21 LEU 15 8.134 10.710 -7.743 114 2HD2 LEU 15 HD22 LEU 15 7.143 12.209 -7.888 115 3HD2 LEU 15 HD23 LEU 15 6.924 10.856 -9.055 116 H LYS 16 HN LYS 16 6.822 12.098 -3.581 117 HA LYS 16 HA LYS 16 7.995 10.986 -1.125 118 1HB LYS 16 HB2 LYS 16 6.596 13.663 -1.730 119 2HB LYS 16 HB1 LYS 16 6.930 13.074 -0.066 120 1HG LYS 16 HG2 LYS 16 8.571 14.712 -0.722 121 2HG LYS 16 HG1 LYS 16 9.331 13.112 -0.383 122 1HD LYS 16 HD2 LYS 16 9.790 12.721 -2.713 123 2HD LYS 16 HD1 LYS 16 8.720 14.052 -3.252 124 1HE LYS 16 HE2 LYS 16 11.195 14.590 -3.419 125 2HE LYS 16 HE1 LYS 16 10.280 15.756 -2.379 126 1HZ LYS 16 HZ1 LYS 16 11.794 13.484 -1.300 127 2HZ LYS 16 HZ2 LYS 16 11.146 14.735 -0.490 128 3HZ LYS 16 HZ3 LYS 16 12.407 14.977 -1.489 129 H ASN 17 HN ASN 17 6.403 9.118 -1.948 130 HA ASN 17 HA ASN 17 3.650 9.630 -1.302 131 1HB ASN 17 HB2 ASN 17 3.258 7.216 -1.962 132 2HB ASN 17 HB1 ASN 17 3.791 8.344 -3.224 133 1HD2 ASN 17 HD21 ASN 17 4.268 5.190 -2.297 134 2HD2 ASN 17 HD22 ASN 17 5.819 4.968 -3.002 135 H GLY 18 HN GLY 18 4.241 6.384 -0.194 136 1HA GLY 18 HA2 GLY 18 5.216 6.395 2.176 137 2HA GLY 18 HA1 GLY 18 3.684 7.362 2.417 138 H LEU 19 HN LEU 19 2.376 5.706 3.279 139 HA LEU 19 HA LEU 19 2.200 3.180 1.903 140 1HB LEU 19 HB2 LEU 19 0.552 4.266 4.268 141 2HB LEU 19 HB1 LEU 19 0.611 2.557 3.720 142 HG LEU 19 HG LEU 19 2.973 4.137 4.915 143 1HD1 LEU 19 HD11 LEU 19 2.652 2.720 6.925 144 2HD1 LEU 19 HD12 LEU 19 1.216 1.934 6.164 145 3HD1 LEU 19 HD13 LEU 19 1.176 3.689 6.573 146 1HD2 LEU 19 HD21 LEU 19 2.786 1.142 4.172 147 2HD2 LEU 19 HD22 LEU 19 4.150 1.949 5.023 148 3HD2 LEU 19 HD23 LEU 19 3.781 2.393 3.326 149 H CYS 20 HN CYS 20 -0.621 2.700 2.249 150 HA CYS 20 HA CYS 20 -1.426 4.100 -0.160 151 1HB CYS 20 HB2 CYS 20 -2.685 1.775 1.394 152 2HB CYS 20 HB1 CYS 20 -3.250 2.408 -0.181 153 H CYS 21 HN CYS 21 -3.466 5.278 -0.266 154 HA CYS 21 HA CYS 21 -4.029 6.656 2.150 155 1HB CYS 21 HB2 CYS 21 -5.214 6.711 -0.652 156 2HB CYS 21 HB1 CYS 21 -6.177 7.393 0.682 157 H SER 22 HN SER 22 -5.419 3.686 0.770 158 HA SER 22 HA SER 22 -7.648 3.809 2.610 159 1HB SER 22 HB2 SER 22 -7.966 1.375 1.656 160 2HB SER 22 HB1 SER 22 -8.241 2.778 0.579 161 HG SER 22 HG SER 22 -6.163 0.920 0.625 162 H GLY 23 HN GLY 23 -4.304 3.053 2.849 163 1HA GLY 23 HA2 GLY 23 -3.709 2.777 5.103 164 2HA GLY 23 HA1 GLY 23 -4.879 1.412 5.236 165 H ALA 24 HN ALA 24 -4.489 -0.542 3.920 166 HA ALA 24 HA ALA 24 -1.743 -1.079 4.566 167 1HB ALA 24 HB1 ALA 24 -3.965 -2.983 3.612 168 2HB ALA 24 HB2 ALA 24 -3.474 -2.709 5.320 169 3HB ALA 24 HB3 ALA 24 -2.331 -3.503 4.186 170 H CYS 25 HN CYS 25 -0.312 -2.415 3.221 171 HA CYS 25 HA CYS 25 -0.670 -2.131 0.350 172 1HB CYS 25 HB2 CYS 25 1.046 -0.402 0.943 173 2HB CYS 25 HB1 CYS 25 1.778 -1.503 2.140 174 H VAL 26 HN VAL 26 -0.524 -4.242 -0.406 175 HA VAL 26 HA VAL 26 1.103 -6.139 1.044 176 HB VAL 26 HB VAL 26 -1.015 -6.304 2.217 177 1HG1 VAL 26 HG11 VAL 26 -3.170 -6.748 1.090 178 2HG1 VAL 26 HG12 VAL 26 -2.394 -6.669 -0.528 179 3HG1 VAL 26 HG13 VAL 26 -2.485 -5.200 0.512 180 1HG2 VAL 26 HG21 VAL 26 0.223 -8.418 1.780 181 2HG2 VAL 26 HG22 VAL 26 -0.736 -8.688 0.278 182 3HG2 VAL 26 HG23 VAL 26 -1.554 -8.675 1.879 183 H GLY 27 HN GLY 27 1.773 -4.739 -1.132 184 1HA GLY 27 HA2 GLY 27 2.717 -5.373 -3.107 185 2HA GLY 27 HA1 GLY 27 1.462 -6.662 -3.324 186 H VAL 28 HN VAL 28 -0.852 -5.566 -3.048 187 HA VAL 28 HA VAL 28 -0.926 -3.092 -4.648 188 HB VAL 28 HB VAL 28 -3.389 -3.568 -4.912 189 1HG1 VAL 28 HG11 VAL 28 -1.081 -4.473 -6.377 190 2HG1 VAL 28 HG12 VAL 28 -2.748 -4.197 -6.994 191 3HG1 VAL 28 HG13 VAL 28 -2.260 -5.834 -6.416 192 1HG2 VAL 28 HG21 VAL 28 -2.554 -6.423 -4.000 193 2HG2 VAL 28 HG22 VAL 28 -4.166 -5.918 -4.615 194 3HG2 VAL 28 HG23 VAL 28 -3.570 -5.283 -3.042 195 H CYS 29 HN CYS 29 -2.592 -1.606 -3.818 196 HA CYS 29 HA CYS 29 -2.347 -1.380 -0.939 197 1HB CYS 29 HB2 CYS 29 -3.854 0.231 -3.084 198 2HB CYS 29 HB1 CYS 29 -3.932 0.641 -1.334 199 H ALA 30 HN ALA 30 -3.958 -1.696 0.551 200 HA ALA 30 HA ALA 30 -6.544 -2.659 -0.481 201 1HB ALA 30 HB1 ALA 30 -6.603 -4.490 1.178 202 2HB ALA 30 HB2 ALA 30 -4.999 -3.987 1.850 203 3HB ALA 30 HB3 ALA 30 -5.115 -4.694 0.199 204 H ASP 31 HN ASP 31 -7.496 -3.099 2.185 205 HA ASP 31 HA ASP 31 -7.390 -0.392 3.269 206 1HB ASP 31 HB2 ASP 31 -9.664 -0.779 4.192 207 2HB ASP 31 HB1 ASP 31 -9.662 -0.840 2.402 208 H LEU 32 HN LEU 32 -8.264 -0.848 5.879 209 HA LEU 32 HA LEU 32 -7.111 -3.111 6.967 210 1HB LEU 32 HB2 LEU 32 -4.980 -1.749 6.498 211 2HB LEU 32 HB1 LEU 32 -5.736 -0.334 7.302 212 HG LEU 32 HG LEU 32 -5.634 -1.479 9.483 213 1HD1 LEU 32 HD11 LEU 32 -5.986 -3.864 8.864 214 2HD1 LEU 32 HD12 LEU 32 -4.425 -3.697 9.735 215 3HD1 LEU 32 HD13 LEU 32 -4.439 -3.881 7.947 216 1HD2 LEU 32 HD21 LEU 32 -3.194 -1.453 9.789 217 2HD2 LEU 32 HD22 LEU 32 -3.657 -0.178 8.605 218 3HD2 LEU 32 HD23 LEU 32 -2.929 -1.725 8.024 219 1HN NH2 33 H1 NH2 33 -9.062 -1.488 9.652 220 2HN NH2 33 H2 NH2 33 -7.707 -2.559 9.462 Start of MODEL 5 1 1H ASP 1 HT1 ASP 1 0.856 7.883 -6.648 2 2H ASP 1 HT2 ASP 1 0.450 8.072 -5.068 3 3H ASP 1 HT3 ASP 1 1.847 8.684 -5.615 4 HA ASP 1 HA ASP 1 0.800 10.284 -6.931 5 1HB ASP 1 HB2 ASP 1 -1.689 10.696 -6.737 6 2HB ASP 1 HB1 ASP 1 -1.279 9.196 -7.615 7 H ASP 2 HN ASP 2 -1.517 11.065 -4.611 8 HA ASP 2 HA ASP 2 0.349 12.441 -2.970 9 1HB ASP 2 HB2 ASP 2 -2.669 11.866 -2.571 10 2HB ASP 2 HB1 ASP 2 -1.690 13.024 -1.599 11 H CYS 3 HN CYS 3 -1.090 9.264 -3.021 12 HA CYS 3 HA CYS 3 0.323 8.514 -0.646 13 1HB CYS 3 HB2 CYS 3 -1.668 7.028 0.041 14 2HB CYS 3 HB1 CYS 3 -1.952 8.768 0.309 15 H ILE 4 HN ILE 4 -0.288 5.736 -1.045 16 HA ILE 4 HA ILE 4 0.045 5.421 -3.947 17 HB ILE 4 HB ILE 4 -0.020 3.255 -1.823 18 1HG1 ILE 4 HG12 ILE 4 1.927 4.775 -1.408 19 2HG1 ILE 4 HG11 ILE 4 2.379 3.121 -1.899 20 1HG2 ILE 4 HG21 ILE 4 0.861 3.299 -4.811 21 2HG2 ILE 4 HG22 ILE 4 -0.630 2.532 -4.164 22 3HG2 ILE 4 HG23 ILE 4 0.963 1.894 -3.700 23 1HD1 ILE 4 HD11 ILE 4 2.983 3.867 -4.176 24 2HD1 ILE 4 HD12 ILE 4 3.793 4.925 -2.973 25 3HD1 ILE 4 HD13 ILE 4 2.347 5.526 -3.849 26 H LYS 5 HN LYS 5 -1.701 4.418 -5.105 27 HA LYS 5 HA LYS 5 -4.125 5.539 -4.222 28 1HB LYS 5 HB2 LYS 5 -3.382 5.555 -6.636 29 2HB LYS 5 HB1 LYS 5 -3.450 3.757 -6.648 30 1HG LYS 5 HG2 LYS 5 -5.922 3.864 -6.257 31 2HG LYS 5 HG1 LYS 5 -5.856 5.658 -6.308 32 1HD LYS 5 HD2 LYS 5 -5.099 5.579 -8.668 33 2HD LYS 5 HD1 LYS 5 -4.983 3.782 -8.609 34 1HE LYS 5 HE2 LYS 5 -7.600 5.394 -8.234 35 2HE LYS 5 HE1 LYS 5 -7.093 4.561 -9.762 36 1HZ LYS 5 HZ1 LYS 5 -7.543 3.218 -7.181 37 2HZ LYS 5 HZ2 LYS 5 -7.184 2.503 -8.595 38 3HZ LYS 5 HZ3 LYS 5 -8.603 3.276 -8.413 39 HA HYP 6 HA HYP 6 -5.643 1.704 -2.520 40 1HB HYP 6 HB1 HYP 6 -7.961 1.936 -1.881 41 2HB HYP 6 HB2 HYP 6 -8.382 2.716 -3.455 42 1HD HYP 6 HD1 HYP 6 -6.989 4.935 -4.087 43 2HD HYP 6 HD2 HYP 6 -5.756 5.427 -2.844 44 HOD HYP 6 HOD HYP 6 -6.596 3.046 -0.616 45 HG HYP 6 HG HYP 6 -8.192 4.663 -1.922 46 H TYR 7 HN TYR 7 -5.647 -0.331 -3.477 47 HA TYR 7 HA TYR 7 -5.507 -1.821 -4.925 48 1HB TYR 7 HB2 TYR 7 -7.942 -0.589 -6.315 49 2HB TYR 7 HB1 TYR 7 -7.273 -2.243 -6.624 50 HD1 TYR 7 HD1 TYR 7 -7.001 -3.825 -4.613 51 HD2 TYR 7 HD2 TYR 7 -9.400 -0.265 -4.430 52 HE1 TYR 7 HE1 TYR 7 -8.097 -4.676 -2.577 53 HE2 TYR 7 HE2 TYR 7 -10.498 -1.100 -2.393 54 HH TYR 7 HH TYR 7 -10.522 -2.762 -0.775 55 H GLY 8 HN GLY 8 -3.915 0.638 -5.301 56 1HA GLY 8 HA2 GLY 8 -3.071 -0.004 -8.050 57 2HA GLY 8 HA1 GLY 8 -2.641 1.463 -7.060 58 H PHE 9 HN PHE 9 -0.508 -0.165 -8.012 59 HA PHE 9 HA PHE 9 0.126 -2.037 -5.896 60 1HB PHE 9 HB2 PHE 9 1.613 -1.247 -8.481 61 2HB PHE 9 HB1 PHE 9 2.343 -2.297 -7.219 62 HD1 PHE 9 HD1 PHE 9 1.761 -4.567 -6.980 63 HD2 PHE 9 HD2 PHE 9 -0.508 -2.081 -9.661 64 HE1 PHE 9 HE1 PHE 9 0.740 -6.583 -7.994 65 HE2 PHE 9 HE2 PHE 9 -1.582 -4.088 -10.610 66 HZ PHE 9 HZ PHE 9 -0.945 -6.344 -9.803 67 H CYS 10 HN CYS 10 2.021 -1.821 -4.559 68 HA CYS 10 HA CYS 10 3.018 0.954 -4.400 69 1HB CYS 10 HB2 CYS 10 3.550 0.591 -2.024 70 2HB CYS 10 HB1 CYS 10 1.791 0.454 -2.302 71 H SER 11 HN SER 11 5.344 1.163 -4.126 72 HA SER 11 HA SER 11 6.956 -1.101 -4.738 73 1HB SER 11 HB2 SER 11 8.596 1.057 -4.054 74 2HB SER 11 HB1 SER 11 7.905 0.837 -5.699 75 HG SER 11 HG SER 11 7.560 2.915 -4.348 76 H LEU 12 HN LEU 12 8.804 -1.592 -3.031 77 HA LEU 12 HA LEU 12 8.418 -0.802 -0.394 78 1HB LEU 12 HB2 LEU 12 7.730 -3.652 -1.393 79 2HB LEU 12 HB1 LEU 12 8.506 -3.454 0.204 80 HG LEU 12 HG LEU 12 5.822 -2.173 -0.560 81 1HD1 LEU 12 HD11 LEU 12 6.355 -4.737 1.075 82 2HD1 LEU 12 HD12 LEU 12 5.637 -4.648 -0.580 83 3HD1 LEU 12 HD13 LEU 12 4.752 -3.941 0.820 84 1HD2 LEU 12 HD21 LEU 12 7.228 -2.468 2.180 85 2HD2 LEU 12 HD22 LEU 12 5.566 -1.825 1.906 86 3HD2 LEU 12 HD23 LEU 12 6.988 -0.936 1.264 87 HA PRO 13 HA PRO 13 10.011 -2.489 1.389 88 1HB PRO 13 HB2 PRO 13 12.538 -1.865 2.431 89 2HB PRO 13 HB1 PRO 13 12.079 -3.471 1.780 90 1HG PRO 13 HG1 PRO 13 13.630 -1.275 0.320 91 2HG PRO 13 HG2 PRO 13 13.964 -3.047 0.385 92 1HD PRO 13 HD1 PRO 13 12.616 -1.838 -1.733 93 2HD PRO 13 HD2 PRO 13 12.213 -3.524 -1.182 94 H ILE 14 HN ILE 14 12.532 0.081 1.075 95 HA ILE 14 HA ILE 14 10.474 2.083 1.264 96 HB ILE 14 HB ILE 14 11.232 2.123 3.537 97 1HG1 ILE 14 HG12 ILE 14 12.439 4.284 3.727 98 2HG1 ILE 14 HG11 ILE 14 12.799 4.273 1.971 99 1HG2 ILE 14 HG21 ILE 14 14.132 1.962 2.490 100 2HG2 ILE 14 HG22 ILE 14 13.222 0.664 3.357 101 3HG2 ILE 14 HG23 ILE 14 13.627 2.196 4.196 102 1HD1 ILE 14 HD11 ILE 14 10.833 5.736 2.558 103 2HD1 ILE 14 HD12 ILE 14 9.956 4.303 3.209 104 3HD1 ILE 14 HD13 ILE 14 10.347 4.411 1.452 105 H LEU 15 HN LEU 15 10.740 3.143 -0.607 106 HA LEU 15 HA LEU 15 13.425 3.396 -1.739 107 1HB LEU 15 HB2 LEU 15 10.967 2.265 -3.257 108 2HB LEU 15 HB1 LEU 15 12.435 2.927 -4.075 109 HG LEU 15 HG LEU 15 12.399 0.525 -2.158 110 1HD1 LEU 15 HD11 LEU 15 12.591 -0.914 -4.171 111 2HD1 LEU 15 HD12 LEU 15 12.441 0.529 -5.243 112 3HD1 LEU 15 HD13 LEU 15 11.063 0.032 -4.187 113 1HD2 LEU 15 HD21 LEU 15 14.642 1.594 -2.257 114 2HD2 LEU 15 HD22 LEU 15 14.616 1.540 -4.063 115 3HD2 LEU 15 HD23 LEU 15 14.661 0.012 -3.109 116 H LYS 16 HN LYS 16 10.394 4.048 -3.483 117 HA LYS 16 HA LYS 16 9.906 6.385 -1.911 118 1HB LYS 16 HB2 LYS 16 9.701 6.310 -5.007 119 2HB LYS 16 HB1 LYS 16 9.020 7.587 -3.932 120 1HG LYS 16 HG2 LYS 16 11.372 8.101 -3.136 121 2HG LYS 16 HG1 LYS 16 12.004 6.924 -4.334 122 1HD LYS 16 HD2 LYS 16 10.953 8.273 -6.195 123 2HD LYS 16 HD1 LYS 16 10.386 9.477 -4.988 124 1HE LYS 16 HE2 LYS 16 13.344 8.754 -5.579 125 2HE LYS 16 HE1 LYS 16 12.476 10.239 -6.141 126 1HZ LYS 16 HZ1 LYS 16 12.977 9.503 -3.342 127 2HZ LYS 16 HZ2 LYS 16 12.201 10.841 -3.845 128 3HZ LYS 16 HZ3 LYS 16 13.777 10.636 -4.193 129 H ASN 17 HN ASN 17 7.717 6.054 -1.299 130 HA ASN 17 HA ASN 17 5.852 4.559 -2.461 131 1HB ASN 17 HB2 ASN 17 5.803 2.561 -0.896 132 2HB ASN 17 HB1 ASN 17 7.068 2.442 -2.132 133 1HD2 ASN 17 HD22 ASN 17 6.661 1.329 0.738 134 2HD2 ASN 17 HD21 ASN 17 8.292 1.339 1.299 135 H GLY 18 HN GLY 18 4.557 3.963 0.118 136 1HA GLY 18 HA2 GLY 18 5.154 5.671 2.105 137 2HA GLY 18 HA1 GLY 18 4.019 6.502 0.912 138 H LEU 19 HN LEU 19 2.429 5.915 2.895 139 HA LEU 19 HA LEU 19 1.621 3.131 2.848 140 1HB LEU 19 HB2 LEU 19 0.440 5.599 4.271 141 2HB LEU 19 HB1 LEU 19 -0.317 3.982 4.302 142 HG LEU 19 HG LEU 19 1.693 3.004 5.384 143 1HD1 LEU 19 HD11 LEU 19 3.292 4.506 6.620 144 2HD1 LEU 19 HD12 LEU 19 2.658 5.927 5.709 145 3HD1 LEU 19 HD13 LEU 19 3.505 4.586 4.845 146 1HD2 LEU 19 HD21 LEU 19 1.137 3.887 7.650 147 2HD2 LEU 19 HD22 LEU 19 -0.343 3.648 6.651 148 3HD2 LEU 19 HD23 LEU 19 0.311 5.308 6.904 149 H CYS 20 HN CYS 20 -0.954 2.881 2.529 150 HA CYS 20 HA CYS 20 -1.515 4.170 -0.038 151 1HB CYS 20 HB2 CYS 20 -3.105 2.021 1.465 152 2HB CYS 20 HB1 CYS 20 -3.390 2.591 -0.208 153 H CYS 21 HN CYS 21 -3.797 5.183 -0.219 154 HA CYS 21 HA CYS 21 -4.239 6.878 2.022 155 1HB CYS 21 HB2 CYS 21 -5.894 6.335 -0.498 156 2HB CYS 21 HB1 CYS 21 -6.550 7.319 0.838 157 H SER 22 HN SER 22 -5.663 3.798 0.963 158 HA SER 22 HA SER 22 -7.534 3.758 3.150 159 1HB SER 22 HB2 SER 22 -7.961 1.398 2.128 160 2HB SER 22 HB1 SER 22 -8.337 2.824 1.104 161 HG SER 22 HG SER 22 -6.324 0.916 0.898 162 H GLY 23 HN GLY 23 -4.253 3.592 3.236 163 1HA GLY 23 HA2 GLY 23 -3.204 3.046 5.120 164 2HA GLY 23 HA1 GLY 23 -4.430 1.791 5.522 165 H ALA 24 HN ALA 24 -4.417 -0.185 3.945 166 HA ALA 24 HA ALA 24 -1.687 -1.023 4.523 167 1HB ALA 24 HB1 ALA 24 -4.141 -2.753 3.821 168 2HB ALA 24 HB2 ALA 24 -3.606 -2.346 5.491 169 3HB ALA 24 HB3 ALA 24 -2.556 -3.354 4.440 170 H CYS 25 HN CYS 25 -0.505 -2.600 3.039 171 HA CYS 25 HA CYS 25 -1.457 -2.568 0.333 172 1HB CYS 25 HB2 CYS 25 0.436 -0.697 0.621 173 2HB CYS 25 HB1 CYS 25 1.515 -2.050 1.016 174 H VAL 26 HN VAL 26 -0.984 -4.580 -0.574 175 HA VAL 26 HA VAL 26 0.909 -6.305 0.785 176 HB VAL 26 HB VAL 26 -1.131 -6.944 1.890 177 1HG1 VAL 26 HG11 VAL 26 -2.479 -7.092 -0.884 178 2HG1 VAL 26 HG12 VAL 26 -2.821 -5.899 0.423 179 3HG1 VAL 26 HG13 VAL 26 -3.197 -7.638 0.671 180 1HG2 VAL 26 HG21 VAL 26 0.407 -8.769 1.174 181 2HG2 VAL 26 HG22 VAL 26 -0.533 -8.982 -0.352 182 3HG2 VAL 26 HG23 VAL 26 -1.309 -9.310 1.237 183 H GLY 27 HN GLY 27 1.723 -4.878 -1.171 184 1HA GLY 27 HA2 GLY 27 2.659 -5.196 -3.197 185 2HA GLY 27 HA1 GLY 27 1.491 -6.532 -3.574 186 H VAL 28 HN VAL 28 -0.899 -5.636 -3.280 187 HA VAL 28 HA VAL 28 -1.156 -3.088 -4.717 188 HB VAL 28 HB VAL 28 -3.592 -3.722 -4.946 189 1HG1 VAL 28 HG11 VAL 28 -1.465 -5.514 -6.299 190 2HG1 VAL 28 HG12 VAL 28 -1.953 -3.857 -6.813 191 3HG1 VAL 28 HG13 VAL 28 -3.136 -5.214 -6.912 192 1HG2 VAL 28 HG21 VAL 28 -3.641 -5.499 -3.135 193 2HG2 VAL 28 HG22 VAL 28 -2.554 -6.538 -4.128 194 3HG2 VAL 28 HG23 VAL 28 -4.196 -6.125 -4.723 195 H CYS 29 HN CYS 29 -2.449 -1.486 -3.766 196 HA CYS 29 HA CYS 29 -2.454 -1.446 -0.922 197 1HB CYS 29 HB2 CYS 29 -3.736 0.310 -3.047 198 2HB CYS 29 HB1 CYS 29 -3.973 0.633 -1.297 199 H ALA 30 HN ALA 30 -4.137 -1.654 0.539 200 HA ALA 30 HA ALA 30 -6.763 -2.357 -0.487 201 1HB ALA 30 HB1 ALA 30 -5.543 -4.599 -0.260 202 2HB ALA 30 HB2 ALA 30 -6.914 -4.432 0.879 203 3HB ALA 30 HB3 ALA 30 -5.211 -4.206 1.462 204 H ASP 31 HN ASP 31 -7.023 -3.323 2.534 205 HA ASP 31 HA ASP 31 -6.637 -0.874 3.908 206 1HB ASP 31 HB2 ASP 31 -9.051 -0.929 4.805 207 2HB ASP 31 HB1 ASP 31 -8.902 -0.351 3.116 208 H LEU 32 HN LEU 32 -7.453 -1.655 6.279 209 HA LEU 32 HA LEU 32 -5.920 -4.067 6.680 210 1HB LEU 32 HB2 LEU 32 -7.314 -2.137 8.627 211 2HB LEU 32 HB1 LEU 32 -6.450 -3.614 9.142 212 HG LEU 32 HG LEU 32 -5.099 -1.661 9.537 213 1HD1 LEU 32 HD11 LEU 32 -3.881 -3.405 7.303 214 2HD1 LEU 32 HD12 LEU 32 -3.946 -3.783 9.061 215 3HD1 LEU 32 HD13 LEU 32 -2.972 -2.385 8.472 216 1HD2 LEU 32 HD21 LEU 32 -5.907 -0.109 7.775 217 2HD2 LEU 32 HD22 LEU 32 -5.009 -1.043 6.517 218 3HD2 LEU 32 HD23 LEU 32 -4.112 -0.211 7.835 219 1HN NH2 33 H1 NH2 33 -7.670 -5.232 5.336 220 2HN NH2 33 H2 NH2 33 -8.966 -5.970 6.261 Start of MODEL 6 1 1H ASP 1 HT1 ASP 1 4.229 11.399 2.726 2 2H ASP 1 HT2 ASP 1 3.858 10.985 1.205 3 3H ASP 1 HT3 ASP 1 2.670 11.112 2.298 4 HA ASP 1 HA ASP 1 2.933 13.457 2.450 5 1HB ASP 1 HB2 ASP 1 5.120 12.992 0.287 6 2HB ASP 1 HB1 ASP 1 4.401 14.601 0.658 7 H ASP 2 HN ASP 2 3.488 11.607 -0.627 8 HA ASP 2 HA ASP 2 0.701 12.150 -1.362 9 1HB ASP 2 HB2 ASP 2 2.897 10.523 -2.811 10 2HB ASP 2 HB1 ASP 2 1.228 10.826 -3.435 11 H CYS 3 HN CYS 3 0.307 9.367 -2.395 12 HA CYS 3 HA CYS 3 0.945 7.625 -0.303 13 1HB CYS 3 HB2 CYS 3 -1.361 6.946 0.263 14 2HB CYS 3 HB1 CYS 3 -1.135 8.651 0.739 15 H ILE 4 HN ILE 4 -0.529 5.567 -1.228 16 HA ILE 4 HA ILE 4 -0.358 5.713 -4.159 17 HB ILE 4 HB ILE 4 -0.320 3.283 -2.321 18 1HG1 ILE 4 HG12 ILE 4 1.775 4.638 -2.074 19 2HG1 ILE 4 HG11 ILE 4 2.007 3.001 -2.734 20 1HG2 ILE 4 HG21 ILE 4 0.370 2.072 -4.438 21 2HG2 ILE 4 HG22 ILE 4 0.054 3.563 -5.393 22 3HG2 ILE 4 HG23 ILE 4 -1.287 2.715 -4.537 23 1HD1 ILE 4 HD11 ILE 4 2.238 3.936 -5.065 24 2HD1 ILE 4 HD12 ILE 4 3.439 4.626 -3.937 25 3HD1 ILE 4 HD13 ILE 4 2.001 5.603 -4.411 26 H LYS 5 HN LYS 5 -2.171 4.640 -5.218 27 HA LYS 5 HA LYS 5 -4.609 5.638 -4.182 28 1HB LYS 5 HB2 LYS 5 -3.811 5.870 -6.616 29 2HB LYS 5 HB1 LYS 5 -3.918 4.089 -6.769 30 1HG LYS 5 HG2 LYS 5 -5.809 5.029 -7.872 31 2HG LYS 5 HG1 LYS 5 -6.429 4.253 -6.389 32 1HD LYS 5 HD2 LYS 5 -6.471 6.574 -5.290 33 2HD LYS 5 HD1 LYS 5 -5.928 7.267 -6.857 34 1HE LYS 5 HE2 LYS 5 -8.013 6.381 -7.973 35 2HE LYS 5 HE1 LYS 5 -8.559 5.687 -6.390 36 1HZ LYS 5 HZ1 LYS 5 -8.568 7.930 -5.534 37 2HZ LYS 5 HZ2 LYS 5 -9.553 7.786 -6.820 38 3HZ LYS 5 HZ3 LYS 5 -8.117 8.535 -6.975 39 HA HYP 6 HA HYP 6 -5.735 1.642 -2.700 40 1HB HYP 6 HB1 HYP 6 -7.996 1.661 -1.890 41 2HB HYP 6 HB2 HYP 6 -8.614 2.312 -3.455 42 1HD HYP 6 HD1 HYP 6 -7.541 4.623 -4.256 43 2HD HYP 6 HD2 HYP 6 -6.363 5.375 -3.096 44 HOD HYP 6 HOD HYP 6 -6.699 3.019 -0.755 45 HG HYP 6 HG HYP 6 -8.608 4.332 -2.030 46 H TYR 7 HN TYR 7 -5.781 -0.454 -3.663 47 HA TYR 7 HA TYR 7 -5.727 -1.937 -5.115 48 1HB TYR 7 HB2 TYR 7 -8.020 -0.557 -6.598 49 2HB TYR 7 HB1 TYR 7 -7.441 -2.252 -6.872 50 HD1 TYR 7 HD1 TYR 7 -9.398 -0.060 -4.681 51 HD2 TYR 7 HD2 TYR 7 -7.466 -3.891 -4.927 52 HE1 TYR 7 HE1 TYR 7 -10.607 -0.789 -2.663 53 HE2 TYR 7 HE2 TYR 7 -8.689 -4.639 -2.924 54 HH TYR 7 HH TYR 7 -10.836 -2.457 -1.072 55 H GLY 8 HN GLY 8 -4.143 0.657 -5.482 56 1HA GLY 8 HA2 GLY 8 -3.178 0.014 -8.185 57 2HA GLY 8 HA1 GLY 8 -2.773 1.448 -7.140 58 H PHE 9 HN PHE 9 -0.572 -0.024 -8.083 59 HA PHE 9 HA PHE 9 0.015 -2.079 -6.137 60 1HB PHE 9 HB2 PHE 9 0.636 -2.185 -8.697 61 2HB PHE 9 HB1 PHE 9 1.953 -1.029 -8.289 62 HD1 PHE 9 HD1 PHE 9 3.839 -1.791 -6.877 63 HD2 PHE 9 HD2 PHE 9 0.598 -4.455 -7.824 64 HE1 PHE 9 HE1 PHE 9 5.177 -3.703 -6.077 65 HE2 PHE 9 HE2 PHE 9 1.955 -6.375 -7.052 66 HZ PHE 9 HZ PHE 9 4.241 -6.001 -6.158 67 H CYS 10 HN CYS 10 1.526 -1.778 -4.413 68 HA CYS 10 HA CYS 10 2.221 1.064 -3.981 69 1HB CYS 10 HB2 CYS 10 2.285 0.545 -1.535 70 2HB CYS 10 HB1 CYS 10 0.677 0.453 -2.280 71 H SER 11 HN SER 11 4.269 1.279 -2.457 72 HA SER 11 HA SER 11 6.238 -0.658 -3.031 73 1HB SER 11 HB2 SER 11 7.536 0.850 -4.709 74 2HB SER 11 HB1 SER 11 6.091 0.029 -5.361 75 HG SER 11 HG SER 11 4.998 1.818 -5.424 76 H LEU 12 HN LEU 12 7.510 2.511 -3.445 77 HA LEU 12 HA LEU 12 8.093 2.933 -0.709 78 1HB LEU 12 HB2 LEU 12 10.173 1.896 -2.786 79 2HB LEU 12 HB1 LEU 12 10.623 2.564 -1.189 80 HG LEU 12 HG LEU 12 9.060 -0.041 -1.684 81 1HD1 LEU 12 HD11 LEU 12 11.139 -1.207 -1.017 82 2HD1 LEU 12 HD12 LEU 12 12.002 0.366 -0.856 83 3HD1 LEU 12 HD13 LEU 12 11.415 -0.182 -2.470 84 1HD2 LEU 12 HD21 LEU 12 9.494 -0.538 0.735 85 2HD2 LEU 12 HD22 LEU 12 8.429 0.886 0.515 86 3HD2 LEU 12 HD23 LEU 12 10.167 1.118 0.959 87 HA PRO 13 HA PRO 13 10.367 4.460 -0.320 88 1HB PRO 13 HB2 PRO 13 10.015 7.478 -0.594 89 2HB PRO 13 HB1 PRO 13 11.490 6.572 -0.071 90 1HG PRO 13 HG1 PRO 13 11.333 7.662 -2.589 91 2HG PRO 13 HG2 PRO 13 12.001 5.990 -2.381 92 1HD PRO 13 HD1 PRO 13 9.139 6.783 -3.196 93 2HD PRO 13 HD2 PRO 13 10.230 5.533 -3.940 94 H ILE 14 HN ILE 14 9.343 4.367 1.726 95 HA ILE 14 HA ILE 14 6.579 5.038 1.798 96 HB ILE 14 HB ILE 14 6.703 4.268 4.173 97 1HG1 ILE 14 HG12 ILE 14 9.662 3.641 3.488 98 2HG1 ILE 14 HG11 ILE 14 9.111 4.940 4.598 99 1HG2 ILE 14 HG21 ILE 14 6.981 1.889 3.532 100 2HG2 ILE 14 HG22 ILE 14 7.905 2.356 2.060 101 3HG2 ILE 14 HG23 ILE 14 6.162 2.779 2.211 102 1HD1 ILE 14 HD11 ILE 14 8.696 1.904 4.985 103 2HD1 ILE 14 HD12 ILE 14 8.019 3.183 6.066 104 3HD1 ILE 14 HD13 ILE 14 9.801 2.985 5.898 105 H LEU 15 HN LEU 15 5.645 6.547 3.305 106 HA LEU 15 HA LEU 15 5.448 8.337 4.523 107 1HB LEU 15 HB2 LEU 15 8.477 8.701 4.659 108 2HB LEU 15 HB1 LEU 15 7.267 9.687 5.534 109 HG LEU 15 HG LEU 15 7.626 6.645 5.885 110 1HD1 LEU 15 HD11 LEU 15 8.776 7.165 8.026 111 2HD1 LEU 15 HD12 LEU 15 8.674 8.931 7.676 112 3HD1 LEU 15 HD13 LEU 15 9.665 7.855 6.620 113 1HD2 LEU 15 HD21 LEU 15 6.012 8.691 7.554 114 2HD2 LEU 15 HD22 LEU 15 6.272 6.960 7.974 115 3HD2 LEU 15 HD23 LEU 15 5.328 7.388 6.509 116 H LYS 16 HN LYS 16 7.716 8.432 1.838 117 HA LYS 16 HA LYS 16 6.910 11.072 1.004 118 1HB LYS 16 HB2 LYS 16 8.235 8.852 -0.679 119 2HB LYS 16 HB1 LYS 16 8.116 10.588 -1.096 120 1HG LYS 16 HG2 LYS 16 9.715 9.351 1.253 121 2HG LYS 16 HG1 LYS 16 10.381 9.905 -0.318 122 1HD LYS 16 HD2 LYS 16 9.659 12.250 0.192 123 2HD LYS 16 HD1 LYS 16 9.037 11.704 1.794 124 1HE LYS 16 HE2 LYS 16 11.344 10.959 2.451 125 2HE LYS 16 HE1 LYS 16 11.979 11.496 0.842 126 1HZ LYS 16 HZ1 LYS 16 11.323 13.709 1.408 127 2HZ LYS 16 HZ2 LYS 16 12.301 13.114 2.563 128 3HZ LYS 16 HZ3 LYS 16 10.703 13.241 2.838 129 H ASN 17 HN ASN 17 6.510 7.727 -0.298 130 HA ASN 17 HA ASN 17 3.673 8.234 -0.686 131 1HB ASN 17 HB2 ASN 17 3.734 6.945 -2.896 132 2HB ASN 17 HB1 ASN 17 4.449 8.577 -2.967 133 1HD2 ASN 17 HD22 ASN 17 5.118 5.348 -3.998 134 2HD2 ASN 17 HD21 ASN 17 6.832 5.329 -3.810 135 H GLY 18 HN GLY 18 4.349 5.268 -1.921 136 1HA GLY 18 HA2 GLY 18 4.944 3.289 -1.221 137 2HA GLY 18 HA1 GLY 18 5.501 3.982 0.343 138 H LEU 19 HN LEU 19 3.388 5.064 1.451 139 HA LEU 19 HA LEU 19 1.830 2.718 2.130 140 1HB LEU 19 HB2 LEU 19 1.624 5.571 3.259 141 2HB LEU 19 HB1 LEU 19 0.815 4.111 3.922 142 HG LEU 19 HG LEU 19 3.861 4.583 3.776 143 1HD1 LEU 19 HD11 LEU 19 1.927 4.661 6.178 144 2HD1 LEU 19 HD12 LEU 19 2.732 6.081 5.412 145 3HD1 LEU 19 HD13 LEU 19 3.720 4.831 6.259 146 1HD2 LEU 19 HD21 LEU 19 4.016 2.560 5.285 147 2HD2 LEU 19 HD22 LEU 19 3.419 2.155 3.640 148 3HD2 LEU 19 HD23 LEU 19 2.261 2.253 5.025 149 H CYS 20 HN CYS 20 -0.472 2.654 2.092 150 HA CYS 20 HA CYS 20 -1.475 3.912 -0.311 151 1HB CYS 20 HB2 CYS 20 -2.644 1.783 1.582 152 2HB CYS 20 HB1 CYS 20 -3.364 2.286 0.018 153 H CYS 21 HN CYS 21 -3.483 5.157 -0.308 154 HA CYS 21 HA CYS 21 -3.865 6.637 2.091 155 1HB CYS 21 HB2 CYS 21 -5.223 6.601 -0.625 156 2HB CYS 21 HB1 CYS 21 -6.102 7.322 0.751 157 H SER 22 HN SER 22 -5.412 3.679 0.821 158 HA SER 22 HA SER 22 -7.326 3.718 2.986 159 1HB SER 22 HB2 SER 22 -7.902 1.404 1.966 160 2HB SER 22 HB1 SER 22 -8.204 2.860 0.956 161 HG SER 22 HG SER 22 -6.325 0.832 0.711 162 H GLY 23 HN GLY 23 -4.072 3.411 3.147 163 1HA GLY 23 HA2 GLY 23 -3.061 2.832 4.998 164 2HA GLY 23 HA1 GLY 23 -4.447 1.797 5.503 165 H ALA 24 HN ALA 24 -4.695 -0.161 3.705 166 HA ALA 24 HA ALA 24 -2.340 -1.594 4.570 167 1HB ALA 24 HB1 ALA 24 -4.781 -2.691 3.054 168 2HB ALA 24 HB2 ALA 24 -4.599 -2.668 4.846 169 3HB ALA 24 HB3 ALA 24 -3.490 -3.665 3.841 170 H CYS 25 HN CYS 25 -0.704 -2.478 3.264 171 HA CYS 25 HA CYS 25 -0.859 -2.091 0.388 172 1HB CYS 25 HB2 CYS 25 0.651 -0.258 1.253 173 2HB CYS 25 HB1 CYS 25 1.381 -1.390 2.418 174 H VAL 26 HN VAL 26 -0.577 -4.194 -0.393 175 HA VAL 26 HA VAL 26 1.222 -5.964 1.014 176 HB VAL 26 HB VAL 26 -0.811 -6.406 2.229 177 1HG1 VAL 26 HG11 VAL 26 -2.942 -7.077 1.163 178 2HG1 VAL 26 HG12 VAL 26 -2.248 -6.821 -0.477 179 3HG1 VAL 26 HG13 VAL 26 -2.470 -5.429 0.645 180 1HG2 VAL 26 HG21 VAL 26 -1.057 -8.819 1.818 181 2HG2 VAL 26 HG22 VAL 26 0.666 -8.327 1.648 182 3HG2 VAL 26 HG23 VAL 26 -0.326 -8.662 0.181 183 H GLY 27 HN GLY 27 1.939 -4.647 -1.080 184 1HA GLY 27 HA2 GLY 27 2.780 -5.119 -3.125 185 2HA GLY 27 HA1 GLY 27 1.583 -6.460 -3.351 186 H VAL 28 HN VAL 28 -0.793 -5.570 -3.095 187 HA VAL 28 HA VAL 28 -1.027 -3.088 -4.665 188 HB VAL 28 HB VAL 28 -3.436 -3.607 -4.882 189 1HG1 VAL 28 HG11 VAL 28 -1.460 -5.721 -5.978 190 2HG1 VAL 28 HG12 VAL 28 -1.803 -4.098 -6.686 191 3HG1 VAL 28 HG13 VAL 28 -3.096 -5.353 -6.642 192 1HG2 VAL 28 HG21 VAL 28 -4.245 -5.909 -4.388 193 2HG2 VAL 28 HG22 VAL 28 -3.699 -5.113 -2.878 194 3HG2 VAL 28 HG23 VAL 28 -2.660 -6.360 -3.673 195 H CYS 29 HN CYS 29 -2.578 -1.533 -3.837 196 HA CYS 29 HA CYS 29 -2.631 -1.395 -0.935 197 1HB CYS 29 HB2 CYS 29 -3.916 0.313 -3.157 198 2HB CYS 29 HB1 CYS 29 -4.119 0.664 -1.404 199 H ALA 30 HN ALA 30 -4.460 -1.727 0.356 200 HA ALA 30 HA ALA 30 -6.981 -2.211 -0.980 201 1HB ALA 30 HB1 ALA 30 -7.399 -4.391 0.193 202 2HB ALA 30 HB2 ALA 30 -5.732 -4.334 0.901 203 3HB ALA 30 HB3 ALA 30 -5.965 -4.549 -0.867 204 H ASP 31 HN ASP 31 -7.900 -3.286 1.693 205 HA ASP 31 HA ASP 31 -7.388 -0.970 3.388 206 1HB ASP 31 HB2 ASP 31 -9.785 -1.264 4.278 207 2HB ASP 31 HB1 ASP 31 -9.650 -0.534 2.649 208 H LEU 32 HN LEU 32 -8.132 -1.868 5.723 209 HA LEU 32 HA LEU 32 -6.366 -4.114 6.057 210 1HB LEU 32 HB2 LEU 32 -7.910 -2.392 8.088 211 2HB LEU 32 HB1 LEU 32 -6.830 -3.757 8.512 212 HG LEU 32 HG LEU 32 -4.899 -2.564 7.417 213 1HD1 LEU 32 HD11 LEU 32 -5.011 -0.057 7.199 214 2HD1 LEU 32 HD12 LEU 32 -6.802 -0.124 7.364 215 3HD1 LEU 32 HD13 LEU 32 -5.982 -0.891 5.948 216 1HD2 LEU 32 HD21 LEU 32 -5.209 -2.636 9.867 217 2HD2 LEU 32 HD22 LEU 32 -6.280 -1.187 9.809 218 3HD2 LEU 32 HD23 LEU 32 -4.537 -1.039 9.376 219 1HN NH2 33 H1 NH2 33 -8.103 -5.395 4.721 220 2HN NH2 33 H2 NH2 33 -9.283 -6.275 5.685 Start of MODEL 7 1 1H ASP 1 HT1 ASP 1 4.256 15.211 -1.203 2 2H ASP 1 HT2 ASP 1 5.341 14.456 -2.134 3 3H ASP 1 HT3 ASP 1 5.770 14.942 -0.632 4 HA ASP 1 HA ASP 1 5.260 12.505 -0.908 5 1HB ASP 1 HB2 ASP 1 3.542 14.142 1.100 6 2HB ASP 1 HB1 ASP 1 3.811 12.363 1.207 7 H ASP 2 HN ASP 2 3.034 11.053 -0.717 8 HA ASP 2 HA ASP 2 0.758 12.146 -1.855 9 1HB ASP 2 HB2 ASP 2 2.526 10.152 -3.482 10 2HB ASP 2 HB1 ASP 2 0.764 10.389 -3.781 11 H CYS 3 HN CYS 3 -0.429 9.620 -2.166 12 HA CYS 3 HA CYS 3 0.785 7.798 -0.347 13 1HB CYS 3 HB2 CYS 3 -1.464 7.122 0.584 14 2HB CYS 3 HB1 CYS 3 -0.883 8.678 1.224 15 H ILE 4 HN ILE 4 -0.166 5.666 -1.086 16 HA ILE 4 HA ILE 4 -0.381 5.879 -3.972 17 HB ILE 4 HB ILE 4 0.125 3.449 -2.205 18 1HG1 ILE 4 HG12 ILE 4 2.077 5.333 -3.683 19 2HG1 ILE 4 HG11 ILE 4 1.881 5.221 -1.906 20 1HG2 ILE 4 HG21 ILE 4 -0.749 2.877 -4.510 21 2HG2 ILE 4 HG22 ILE 4 0.956 2.419 -4.331 22 3HG2 ILE 4 HG23 ILE 4 0.538 3.906 -5.249 23 1HD1 ILE 4 HD11 ILE 4 3.881 3.991 -2.574 24 2HD1 ILE 4 HD12 ILE 4 2.965 3.002 -3.751 25 3HD1 ILE 4 HD13 ILE 4 2.649 2.817 -1.976 26 H LYS 5 HN LYS 5 -1.948 4.738 -5.141 27 HA LYS 5 HA LYS 5 -4.470 5.498 -4.369 28 1HB LYS 5 HB2 LYS 5 -3.582 5.493 -6.731 29 2HB LYS 5 HB1 LYS 5 -3.477 3.699 -6.663 30 1HG LYS 5 HG2 LYS 5 -6.040 3.657 -6.406 31 2HG LYS 5 HG1 LYS 5 -6.029 5.423 -6.752 32 1HD LYS 5 HD2 LYS 5 -4.977 4.943 -8.981 33 2HD LYS 5 HD1 LYS 5 -4.860 3.197 -8.544 34 1HE LYS 5 HE2 LYS 5 -7.380 3.070 -8.380 35 2HE LYS 5 HE1 LYS 5 -7.484 4.792 -8.927 36 1HZ LYS 5 HZ1 LYS 5 -6.314 2.558 -10.441 37 2HZ LYS 5 HZ2 LYS 5 -6.379 4.105 -10.944 38 3HZ LYS 5 HZ3 LYS 5 -7.753 3.263 -10.716 39 HA HYP 6 HA HYP 6 -5.790 1.627 -2.539 40 1HB HYP 6 HB1 HYP 6 -8.112 1.838 -1.904 41 2HB HYP 6 HB2 HYP 6 -8.580 2.391 -3.552 42 1HD HYP 6 HD1 HYP 6 -7.263 4.651 -4.415 43 2HD HYP 6 HD2 HYP 6 -6.172 5.371 -3.156 44 HOD HYP 6 HOD HYP 6 -6.870 3.180 -0.789 45 HG HYP 6 HG HYP 6 -8.607 4.511 -2.338 46 H TYR 7 HN TYR 7 -5.657 -0.469 -3.524 47 HA TYR 7 HA TYR 7 -5.569 -1.955 -4.993 48 1HB TYR 7 HB2 TYR 7 -8.033 -0.713 -6.321 49 2HB TYR 7 HB1 TYR 7 -7.352 -2.348 -6.688 50 HD1 TYR 7 HD1 TYR 7 -9.274 -0.362 -4.277 51 HD2 TYR 7 HD2 TYR 7 -7.175 -4.066 -4.853 52 HE1 TYR 7 HE1 TYR 7 -10.296 -1.245 -2.221 53 HE2 TYR 7 HE2 TYR 7 -8.208 -4.972 -2.806 54 HH TYR 7 HH TYR 7 -10.233 -2.968 -0.659 55 H GLY 8 HN GLY 8 -4.150 0.704 -5.432 56 1HA GLY 8 HA2 GLY 8 -3.273 0.088 -8.169 57 2HA GLY 8 HA1 GLY 8 -2.808 1.489 -7.101 58 H PHE 9 HN PHE 9 -0.641 0.003 -8.098 59 HA PHE 9 HA PHE 9 -0.057 -2.054 -6.132 60 1HB PHE 9 HB2 PHE 9 1.348 -1.128 -8.695 61 2HB PHE 9 HB1 PHE 9 2.262 -2.027 -7.433 62 HD1 PHE 9 HD1 PHE 9 -0.786 -2.275 -9.640 63 HD2 PHE 9 HD2 PHE 9 2.028 -4.330 -7.115 64 HE1 PHE 9 HE1 PHE 9 -1.684 -4.446 -10.397 65 HE2 PHE 9 HE2 PHE 9 1.145 -6.503 -7.905 66 HZ PHE 9 HZ PHE 9 -0.715 -6.562 -9.550 67 H CYS 10 HN CYS 10 1.519 -1.884 -4.585 68 HA CYS 10 HA CYS 10 2.785 0.760 -4.286 69 1HB CYS 10 HB2 CYS 10 3.080 0.120 -1.814 70 2HB CYS 10 HB1 CYS 10 1.457 0.641 -2.336 71 H SER 11 HN SER 11 3.966 -1.926 -2.333 72 HA SER 11 HA SER 11 5.426 -3.224 -4.219 73 1HB SER 11 HB2 SER 11 7.786 -2.402 -3.475 74 2HB SER 11 HB1 SER 11 6.902 -1.310 -4.588 75 HG SER 11 HG SER 11 7.624 -0.021 -3.070 76 H LEU 12 HN LEU 12 7.501 -3.886 -2.051 77 HA LEU 12 HA LEU 12 6.053 -4.204 0.314 78 1HB LEU 12 HB2 LEU 12 6.870 -6.539 -1.584 79 2HB LEU 12 HB1 LEU 12 6.870 -6.804 0.180 80 HG LEU 12 HG LEU 12 4.373 -5.944 -1.384 81 1HD1 LEU 12 HD11 LEU 12 5.277 -8.783 -0.578 82 2HD1 LEU 12 HD12 LEU 12 5.107 -8.135 -2.252 83 3HD1 LEU 12 HD13 LEU 12 3.649 -8.344 -1.215 84 1HD2 LEU 12 HD21 LEU 12 3.194 -6.863 0.678 85 2HD2 LEU 12 HD22 LEU 12 4.204 -5.409 1.022 86 3HD2 LEU 12 HD23 LEU 12 4.795 -7.054 1.471 87 HA PRO 13 HA PRO 13 7.362 -5.971 2.067 88 1HB PRO 13 HB2 PRO 13 9.474 -4.577 3.788 89 2HB PRO 13 HB1 PRO 13 8.930 -6.303 3.871 90 1HG PRO 13 HG1 PRO 13 11.344 -5.677 2.745 91 2HG PRO 13 HG2 PRO 13 10.260 -6.870 1.912 92 1HD PRO 13 HD1 PRO 13 10.529 -3.854 1.304 93 2HD PRO 13 HD2 PRO 13 10.591 -5.260 0.145 94 H ILE 14 HN ILE 14 5.903 -5.104 3.841 95 HA ILE 14 HA ILE 14 5.555 -2.225 3.456 96 HB ILE 14 HB ILE 14 3.612 -3.227 2.749 97 1HG1 ILE 14 HG12 ILE 14 1.887 -2.545 4.349 98 2HG1 ILE 14 HG11 ILE 14 3.065 -2.486 5.691 99 1HG2 ILE 14 HG21 ILE 14 2.337 -4.945 4.029 100 2HG2 ILE 14 HG22 ILE 14 3.657 -5.043 5.244 101 3HG2 ILE 14 HG23 ILE 14 3.949 -5.552 3.537 102 1HD1 ILE 14 HD11 ILE 14 2.467 -0.208 4.745 103 2HD1 ILE 14 HD12 ILE 14 3.228 -0.678 3.179 104 3HD1 ILE 14 HD13 ILE 14 4.226 -0.542 4.670 105 H LEU 15 HN LEU 15 6.875 -1.297 4.870 106 HA LEU 15 HA LEU 15 6.116 -1.696 7.661 107 1HB LEU 15 HB2 LEU 15 8.952 -0.974 6.630 108 2HB LEU 15 HB1 LEU 15 8.416 -0.804 8.339 109 HG LEU 15 HG LEU 15 8.561 -3.430 6.733 110 1HD1 LEU 15 HD11 LEU 15 10.823 -2.440 7.116 111 2HD1 LEU 15 HD12 LEU 15 10.595 -3.959 8.056 112 3HD1 LEU 15 HD13 LEU 15 10.501 -2.364 8.889 113 1HD2 LEU 15 HD21 LEU 15 8.060 -2.992 9.752 114 2HD2 LEU 15 HD22 LEU 15 8.325 -4.581 8.948 115 3HD2 LEU 15 HD23 LEU 15 6.871 -3.610 8.541 116 H LYS 16 HN LYS 16 8.212 0.587 5.796 117 HA LYS 16 HA LYS 16 5.878 2.033 5.081 118 1HB LYS 16 HB2 LYS 16 8.463 3.354 6.197 119 2HB LYS 16 HB1 LYS 16 7.278 4.194 5.133 120 1HG LYS 16 HG2 LYS 16 5.483 3.862 6.825 121 2HG LYS 16 HG1 LYS 16 6.646 3.049 7.925 122 1HD LYS 16 HD2 LYS 16 7.951 5.142 8.165 123 2HD LYS 16 HD1 LYS 16 6.975 5.938 6.882 124 1HE LYS 16 HE2 LYS 16 6.260 6.712 9.142 125 2HE LYS 16 HE1 LYS 16 4.925 5.828 8.297 126 1HZ LYS 16 HZ1 LYS 16 5.467 3.920 9.611 127 2HZ LYS 16 HZ2 LYS 16 5.156 5.190 10.576 128 3HZ LYS 16 HZ3 LYS 16 6.689 4.691 10.359 129 H ASN 17 HN ASN 17 6.367 2.500 2.876 130 HA ASN 17 HA ASN 17 8.942 2.010 1.772 131 1HB ASN 17 HB2 ASN 17 8.237 0.217 0.160 132 2HB ASN 17 HB1 ASN 17 8.325 -0.395 1.836 133 1HD2 ASN 17 HD21 ASN 17 6.476 -0.784 -0.931 134 2HD2 ASN 17 HD22 ASN 17 5.050 -1.335 -0.116 135 H GLY 18 HN GLY 18 5.379 2.032 1.414 136 1HA GLY 18 HA2 GLY 18 5.566 4.712 0.422 137 2HA GLY 18 HA1 GLY 18 4.601 3.466 -0.526 138 H LEU 19 HN LEU 19 2.718 5.066 0.573 139 HA LEU 19 HA LEU 19 1.860 3.539 2.879 140 1HB LEU 19 HB2 LEU 19 2.712 5.725 3.845 141 2HB LEU 19 HB1 LEU 19 1.827 6.622 2.573 142 HG LEU 19 HG LEU 19 -0.356 5.805 3.526 143 1HD1 LEU 19 HD11 LEU 19 -0.423 4.792 5.814 144 2HD1 LEU 19 HD12 LEU 19 1.371 4.602 5.789 145 3HD1 LEU 19 HD13 LEU 19 0.343 3.683 4.629 146 1HD2 LEU 19 HD21 LEU 19 -0.337 7.291 5.508 147 2HD2 LEU 19 HD22 LEU 19 0.592 8.013 4.145 148 3HD2 LEU 19 HD23 LEU 19 1.467 7.267 5.537 149 H CYS 20 HN CYS 20 -0.266 2.944 2.330 150 HA CYS 20 HA CYS 20 -1.228 3.930 -0.243 151 1HB CYS 20 HB2 CYS 20 -2.214 1.700 1.609 152 2HB CYS 20 HB1 CYS 20 -3.034 2.188 0.094 153 H CYS 21 HN CYS 21 -3.321 4.945 -0.420 154 HA CYS 21 HA CYS 21 -3.747 6.699 1.728 155 1HB CYS 21 HB2 CYS 21 -5.695 6.148 -0.572 156 2HB CYS 21 HB1 CYS 21 -5.653 7.604 0.467 157 H SER 22 HN SER 22 -5.434 3.656 0.788 158 HA SER 22 HA SER 22 -7.371 3.987 2.890 159 1HB SER 22 HB2 SER 22 -8.020 1.604 1.959 160 2HB SER 22 HB1 SER 22 -8.308 3.055 0.945 161 HG SER 22 HG SER 22 -6.461 0.993 0.673 162 H GLY 23 HN GLY 23 -4.176 3.434 3.166 163 1HA GLY 23 HA2 GLY 23 -3.335 2.918 5.162 164 2HA GLY 23 HA1 GLY 23 -4.732 1.850 5.549 165 H ALA 24 HN ALA 24 -4.795 -0.059 3.630 166 HA ALA 24 HA ALA 24 -2.418 -1.444 4.579 167 1HB ALA 24 HB1 ALA 24 -4.765 -2.625 2.993 168 2HB ALA 24 HB2 ALA 24 -4.654 -2.590 4.782 169 3HB ALA 24 HB3 ALA 24 -3.464 -3.544 3.829 170 H CYS 25 HN CYS 25 -0.947 -2.721 3.169 171 HA CYS 25 HA CYS 25 -1.020 -2.162 0.361 172 1HB CYS 25 HB2 CYS 25 0.607 -0.392 1.220 173 2HB CYS 25 HB1 CYS 25 1.284 -1.580 2.341 174 H VAL 26 HN VAL 26 -0.479 -4.204 -0.496 175 HA VAL 26 HA VAL 26 1.219 -5.968 0.940 176 HB VAL 26 HB VAL 26 -0.798 -6.557 2.119 177 1HG1 VAL 26 HG11 VAL 26 -2.165 -6.994 -0.621 178 2HG1 VAL 26 HG12 VAL 26 -2.502 -5.662 0.548 179 3HG1 VAL 26 HG13 VAL 26 -2.850 -7.366 0.997 180 1HG2 VAL 26 HG21 VAL 26 0.835 -8.347 1.483 181 2HG2 VAL 26 HG22 VAL 26 -0.163 -8.734 0.025 182 3HG2 VAL 26 HG23 VAL 26 -0.849 -8.960 1.672 183 H GLY 27 HN GLY 27 1.988 -4.680 -1.134 184 1HA GLY 27 HA2 GLY 27 2.851 -5.107 -3.167 185 2HA GLY 27 HA1 GLY 27 1.687 -6.472 -3.418 186 H VAL 28 HN VAL 28 -0.708 -5.522 -3.084 187 HA VAL 28 HA VAL 28 -1.007 -3.107 -4.736 188 HB VAL 28 HB VAL 28 -3.463 -3.760 -4.767 189 1HG1 VAL 28 HG11 VAL 28 -3.086 -5.410 -6.627 190 2HG1 VAL 28 HG12 VAL 28 -1.374 -5.618 -6.100 191 3HG1 VAL 28 HG13 VAL 28 -1.941 -4.022 -6.712 192 1HG2 VAL 28 HG21 VAL 28 -2.347 -6.497 -3.798 193 2HG2 VAL 28 HG22 VAL 28 -4.032 -6.124 -4.291 194 3HG2 VAL 28 HG23 VAL 28 -3.360 -5.377 -2.805 195 H CYS 29 HN CYS 29 -2.492 -1.503 -3.849 196 HA CYS 29 HA CYS 29 -2.370 -1.353 -0.945 197 1HB CYS 29 HB2 CYS 29 -3.727 0.370 -3.076 198 2HB CYS 29 HB1 CYS 29 -3.811 0.738 -1.323 199 H ALA 30 HN ALA 30 -4.204 -1.536 0.443 200 HA ALA 30 HA ALA 30 -6.698 -2.393 -0.829 201 1HB ALA 30 HB1 ALA 30 -5.270 -4.107 1.318 202 2HB ALA 30 HB2 ALA 30 -5.447 -4.563 -0.411 203 3HB ALA 30 HB3 ALA 30 -6.909 -4.422 0.609 204 H ASP 31 HN ASP 31 -7.466 -3.251 2.085 205 HA ASP 31 HA ASP 31 -7.231 -0.813 3.502 206 1HB ASP 31 HB2 ASP 31 -9.818 -0.859 3.933 207 2HB ASP 31 HB1 ASP 31 -9.277 -0.122 2.392 208 H LEU 32 HN LEU 32 -8.173 -1.530 5.744 209 HA LEU 32 HA LEU 32 -7.034 -4.148 6.187 210 1HB LEU 32 HB2 LEU 32 -8.168 -2.045 8.130 211 2HB LEU 32 HB1 LEU 32 -7.478 -3.619 8.626 212 HG LEU 32 HG LEU 32 -5.900 -1.896 9.060 213 1HD1 LEU 32 HD11 LEU 32 -4.990 -4.101 8.385 214 2HD1 LEU 32 HD12 LEU 32 -3.880 -2.756 7.940 215 3HD1 LEU 32 HD13 LEU 32 -4.875 -3.558 6.673 216 1HD2 LEU 32 HD21 LEU 32 -6.602 -0.164 7.415 217 2HD2 LEU 32 HD22 LEU 32 -5.785 -1.085 6.091 218 3HD2 LEU 32 HD23 LEU 32 -4.824 -0.423 7.458 219 1HN NH2 33 H1 NH2 33 -8.998 -4.931 4.774 220 2HN NH2 33 H2 NH2 33 -10.396 -5.463 5.692 Start of MODEL 8 1 1H ASP 1 HT1 ASP 1 5.022 9.187 -2.537 2 2H ASP 1 HT2 ASP 1 5.546 10.413 -1.607 3 3H ASP 1 HT3 ASP 1 6.289 10.074 -3.029 4 HA ASP 1 HA ASP 1 4.987 11.932 -3.505 5 1HB ASP 1 HB2 ASP 1 3.216 9.434 -4.084 6 2HB ASP 1 HB1 ASP 1 2.959 11.054 -4.839 7 H ASP 2 HN ASP 2 1.799 11.230 -3.193 8 HA ASP 2 HA ASP 2 1.744 12.283 -0.481 9 1HB ASP 2 HB2 ASP 2 -0.530 11.761 -2.514 10 2HB ASP 2 HB1 ASP 2 -0.743 12.432 -0.856 11 H CYS 3 HN CYS 3 -0.263 9.792 -2.191 12 HA CYS 3 HA CYS 3 0.567 7.842 -0.280 13 1HB CYS 3 HB2 CYS 3 -1.700 7.074 0.250 14 2HB CYS 3 HB1 CYS 3 -1.524 8.758 0.809 15 H ILE 4 HN ILE 4 -0.438 5.758 -1.197 16 HA ILE 4 HA ILE 4 -0.182 5.844 -4.103 17 HB ILE 4 HB ILE 4 -0.042 3.478 -2.170 18 1HG1 ILE 4 HG12 ILE 4 2.286 5.107 -3.379 19 2HG1 ILE 4 HG11 ILE 4 1.754 5.161 -1.671 20 1HG2 ILE 4 HG21 ILE 4 1.036 2.330 -4.147 21 2HG2 ILE 4 HG22 ILE 4 0.778 3.790 -5.154 22 3HG2 ILE 4 HG23 ILE 4 -0.618 2.837 -4.531 23 1HD1 ILE 4 HD11 ILE 4 3.699 3.733 -1.791 24 2HD1 ILE 4 HD12 ILE 4 2.967 2.723 -3.086 25 3HD1 ILE 4 HD13 ILE 4 2.270 2.716 -1.415 26 H LYS 5 HN LYS 5 -1.823 4.491 -5.245 27 HA LYS 5 HA LYS 5 -4.298 5.620 -4.472 28 1HB LYS 5 HB2 LYS 5 -3.376 5.669 -6.824 29 2HB LYS 5 HB1 LYS 5 -3.461 3.875 -6.865 30 1HG LYS 5 HG2 LYS 5 -6.020 4.088 -6.596 31 2HG LYS 5 HG1 LYS 5 -5.812 5.865 -6.715 32 1HD LYS 5 HD2 LYS 5 -6.507 4.984 -8.867 33 2HD LYS 5 HD1 LYS 5 -4.824 5.585 -9.013 34 1HE LYS 5 HE2 LYS 5 -5.220 3.419 -10.247 35 2HE LYS 5 HE1 LYS 5 -3.951 3.242 -8.976 36 1HZ LYS 5 HZ1 LYS 5 -5.582 2.233 -7.581 37 2HZ LYS 5 HZ2 LYS 5 -5.525 1.442 -8.997 38 3HZ LYS 5 HZ3 LYS 5 -6.769 2.439 -8.670 39 HA HYP 6 HA HYP 6 -5.750 1.733 -2.798 40 1HB HYP 6 HB1 HYP 6 -8.063 1.967 -2.124 41 2HB HYP 6 HB2 HYP 6 -8.499 2.734 -3.700 42 1HD HYP 6 HD1 HYP 6 -7.037 5.057 -4.279 43 2HD HYP 6 HD2 HYP 6 -5.824 5.425 -2.980 44 HOD HYP 6 HOD HYP 6 -6.713 3.083 -0.882 45 HG HYP 6 HG HYP 6 -8.366 4.698 -2.264 46 H TYR 7 HN TYR 7 -5.806 -0.298 -3.764 47 HA TYR 7 HA TYR 7 -5.803 -1.819 -5.176 48 1HB TYR 7 HB2 TYR 7 -8.029 -0.373 -6.711 49 2HB TYR 7 HB1 TYR 7 -7.499 -2.075 -7.007 50 HD1 TYR 7 HD1 TYR 7 -9.705 -0.017 -5.076 51 HD2 TYR 7 HD2 TYR 7 -7.399 -3.641 -4.916 52 HE1 TYR 7 HE1 TYR 7 -11.121 -0.824 -3.233 53 HE2 TYR 7 HE2 TYR 7 -8.811 -4.459 -3.067 54 HH TYR 7 HH TYR 7 -11.563 -2.546 -1.797 55 H GLY 8 HN GLY 8 -4.112 0.693 -5.588 56 1HA GLY 8 HA2 GLY 8 -3.176 -0.037 -8.279 57 2HA GLY 8 HA1 GLY 8 -2.679 1.379 -7.239 58 H PHE 9 HN PHE 9 -0.639 -0.296 -8.212 59 HA PHE 9 HA PHE 9 -0.061 -2.313 -6.261 60 1HB PHE 9 HB2 PHE 9 1.829 -1.054 -8.350 61 2HB PHE 9 HB1 PHE 9 2.136 -2.548 -7.385 62 HD1 PHE 9 HD1 PHE 9 0.445 -4.493 -7.632 63 HD2 PHE 9 HD2 PHE 9 0.719 -1.242 -10.433 64 HE1 PHE 9 HE1 PHE 9 -0.739 -5.849 -9.327 65 HE2 PHE 9 HE2 PHE 9 -0.449 -2.608 -12.129 66 HZ PHE 9 HZ PHE 9 -1.184 -4.910 -11.581 67 H CYS 10 HN CYS 10 1.937 -2.100 -4.740 68 HA CYS 10 HA CYS 10 2.666 0.688 -4.333 69 1HB CYS 10 HB2 CYS 10 2.370 0.541 -1.850 70 2HB CYS 10 HB1 CYS 10 0.833 0.543 -2.755 71 H SER 11 HN SER 11 4.544 0.659 -2.465 72 HA SER 11 HA SER 11 6.326 -1.445 -2.693 73 1HB SER 11 HB2 SER 11 7.915 0.199 -4.142 74 2HB SER 11 HB1 SER 11 6.741 -0.838 -5.024 75 HG SER 11 HG SER 11 6.711 1.944 -4.634 76 H LEU 12 HN LEU 12 8.540 0.105 -1.916 77 HA LEU 12 HA LEU 12 7.674 2.180 -0.205 78 1HB LEU 12 HB2 LEU 12 9.027 -0.427 0.794 79 2HB LEU 12 HB1 LEU 12 8.851 1.062 1.777 80 HG LEU 12 HG LEU 12 6.498 -0.604 0.701 81 1HD1 LEU 12 HD11 LEU 12 7.827 -1.953 2.286 82 2HD1 LEU 12 HD12 LEU 12 6.236 -1.494 2.995 83 3HD1 LEU 12 HD13 LEU 12 7.741 -0.641 3.523 84 1HD2 LEU 12 HD21 LEU 12 5.874 1.772 1.157 85 2HD2 LEU 12 HD22 LEU 12 6.528 1.629 2.830 86 3HD2 LEU 12 HD23 LEU 12 5.105 0.645 2.324 87 HA PRO 13 HA PRO 13 10.468 2.550 1.581 88 1HB PRO 13 HB2 PRO 13 11.328 5.150 0.149 89 2HB PRO 13 HB1 PRO 13 11.964 4.511 1.721 90 1HG PRO 13 HG1 PRO 13 13.361 4.091 -0.592 91 2HG PRO 13 HG2 PRO 13 13.144 2.722 0.579 92 1HD PRO 13 HD1 PRO 13 11.659 3.219 -2.046 93 2HD PRO 13 HD2 PRO 13 12.191 1.660 -1.282 94 H ILE 14 HN ILE 14 9.243 3.759 3.043 95 HA ILE 14 HA ILE 14 6.707 4.437 2.077 96 HB ILE 14 HB ILE 14 7.185 3.244 4.201 97 1HG1 ILE 14 HG12 ILE 14 5.587 5.826 4.684 98 2HG1 ILE 14 HG11 ILE 14 5.006 4.407 3.743 99 1HG2 ILE 14 HG21 ILE 14 8.145 5.976 5.277 100 2HG2 ILE 14 HG22 ILE 14 9.220 4.591 4.882 101 3HG2 ILE 14 HG23 ILE 14 8.010 4.438 6.195 102 1HD1 ILE 14 HD11 ILE 14 5.777 4.423 6.734 103 2HD1 ILE 14 HD12 ILE 14 5.348 2.947 5.795 104 3HD1 ILE 14 HD13 ILE 14 4.130 4.253 6.031 105 H LEU 15 HN LEU 15 5.658 6.487 2.180 106 HA LEU 15 HA LEU 15 5.346 8.642 2.117 107 1HB LEU 15 HB2 LEU 15 8.119 9.184 3.277 108 2HB LEU 15 HB1 LEU 15 6.796 10.376 3.066 109 HG LEU 15 HG LEU 15 6.743 7.908 4.911 110 1HD1 LEU 15 HD11 LEU 15 7.004 10.906 5.595 111 2HD1 LEU 15 HD12 LEU 15 8.305 9.662 5.708 112 3HD1 LEU 15 HD13 LEU 15 6.862 9.554 6.779 113 1HD2 LEU 15 HD21 LEU 15 4.437 8.390 4.147 114 2HD2 LEU 15 HD22 LEU 15 4.629 10.136 4.562 115 3HD2 LEU 15 HD23 LEU 15 4.635 8.886 5.859 116 H LYS 16 HN LYS 16 8.637 7.802 1.148 117 HA LYS 16 HA LYS 16 8.866 9.724 -0.917 118 1HB LYS 16 HB2 LYS 16 10.315 7.033 -0.517 119 2HB LYS 16 HB1 LYS 16 10.659 8.171 -1.861 120 1HG LYS 16 HG2 LYS 16 12.347 8.587 -0.284 121 2HG LYS 16 HG1 LYS 16 11.213 9.974 -0.192 122 1HD LYS 16 HD2 LYS 16 10.232 8.958 1.924 123 2HD LYS 16 HD1 LYS 16 11.418 7.612 1.793 124 1HE LYS 16 HE2 LYS 16 13.303 9.306 2.018 125 2HE LYS 16 HE1 LYS 16 12.065 10.621 2.171 126 1HZ LYS 16 HZ1 LYS 16 12.428 8.345 3.996 127 2HZ LYS 16 HZ2 LYS 16 11.247 9.459 4.120 128 3HZ LYS 16 HZ3 LYS 16 12.807 9.896 4.283 129 H ASN 17 HN ASN 17 7.858 6.263 -0.834 130 HA ASN 17 HA ASN 17 6.696 6.484 -3.506 131 1HB ASN 17 HB2 ASN 17 6.522 4.243 -1.374 132 2HB ASN 17 HB1 ASN 17 5.531 4.269 -2.877 133 1HD2 ASN 17 HD22 ASN 17 9.011 4.589 -1.875 134 2HD2 ASN 17 HD21 ASN 17 9.641 3.824 -3.319 135 H GLY 18 HN GLY 18 5.304 5.614 -0.235 136 1HA GLY 18 HA2 GLY 18 4.035 7.843 0.293 137 2HA GLY 18 HA1 GLY 18 2.907 6.949 -0.844 138 H LEU 19 HN LEU 19 1.456 6.070 0.744 139 HA LEU 19 HA LEU 19 2.298 3.583 1.498 140 1HB LEU 19 HB2 LEU 19 1.257 3.514 3.738 141 2HB LEU 19 HB1 LEU 19 2.740 4.505 3.800 142 HG LEU 19 HG LEU 19 -0.046 5.783 3.511 143 1HD1 LEU 19 HD11 LEU 19 -0.122 4.267 5.472 144 2HD1 LEU 19 HD12 LEU 19 -0.153 5.995 5.969 145 3HD1 LEU 19 HD13 LEU 19 1.366 5.035 6.143 146 1HD2 LEU 19 HD21 LEU 19 2.625 6.836 4.660 147 2HD2 LEU 19 HD22 LEU 19 1.058 7.725 4.676 148 3HD2 LEU 19 HD23 LEU 19 1.855 7.357 3.112 149 H CYS 20 HN CYS 20 -0.387 2.894 2.281 150 HA CYS 20 HA CYS 20 -1.632 3.874 -0.179 151 1HB CYS 20 HB2 CYS 20 -2.437 1.689 1.811 152 2HB CYS 20 HB1 CYS 20 -3.331 2.090 0.312 153 H CYS 21 HN CYS 21 -3.611 5.075 -0.175 154 HA CYS 21 HA CYS 21 -4.021 6.615 2.169 155 1HB CYS 21 HB2 CYS 21 -5.313 6.469 -0.571 156 2HB CYS 21 HB1 CYS 21 -6.334 7.098 0.746 157 H SER 22 HN SER 22 -5.543 3.653 0.894 158 HA SER 22 HA SER 22 -7.533 3.677 2.958 159 1HB SER 22 HB2 SER 22 -8.024 1.366 1.870 160 2HB SER 22 HB1 SER 22 -8.261 2.830 0.861 161 HG SER 22 HG SER 22 -6.287 0.857 0.755 162 H GLY 23 HN GLY 23 -4.245 3.305 3.189 163 1HA GLY 23 HA2 GLY 23 -3.439 2.848 5.225 164 2HA GLY 23 HA1 GLY 23 -4.699 1.598 5.516 165 H ALA 24 HN ALA 24 -4.553 -0.352 3.903 166 HA ALA 24 HA ALA 24 -1.944 -1.277 4.743 167 1HB ALA 24 HB1 ALA 24 -2.817 -3.571 4.366 168 2HB ALA 24 HB2 ALA 24 -4.308 -2.886 3.615 169 3HB ALA 24 HB3 ALA 24 -3.970 -2.620 5.361 170 H CYS 25 HN CYS 25 -0.356 -2.244 3.425 171 HA CYS 25 HA CYS 25 -0.748 -2.047 0.536 172 1HB CYS 25 HB2 CYS 25 0.820 -0.221 1.240 173 2HB CYS 25 HB1 CYS 25 1.691 -1.358 2.305 174 H VAL 26 HN VAL 26 -0.646 -4.081 -0.209 175 HA VAL 26 HA VAL 26 1.162 -5.976 1.091 176 HB VAL 26 HB VAL 26 -1.094 -6.784 1.516 177 1HG1 VAL 26 HG11 VAL 26 -2.711 -7.352 -0.241 178 2HG1 VAL 26 HG12 VAL 26 -1.654 -6.671 -1.522 179 3HG1 VAL 26 HG13 VAL 26 -2.352 -5.595 -0.262 180 1HG2 VAL 26 HG21 VAL 26 0.721 -8.413 1.090 181 2HG2 VAL 26 HG22 VAL 26 0.274 -8.505 -0.652 182 3HG2 VAL 26 HG23 VAL 26 -0.893 -9.039 0.602 183 H GLY 27 HN GLY 27 0.320 -7.175 -2.000 184 1HA GLY 27 HA2 GLY 27 2.498 -5.674 -3.149 185 2HA GLY 27 HA1 GLY 27 1.419 -6.878 -3.951 186 H VAL 28 HN VAL 28 -0.536 -4.746 -2.430 187 HA VAL 28 HA VAL 28 -0.826 -2.853 -4.502 188 HB VAL 28 HB VAL 28 -3.282 -3.292 -4.871 189 1HG1 VAL 28 HG11 VAL 28 -2.996 -5.093 -6.582 190 2HG1 VAL 28 HG12 VAL 28 -1.376 -5.497 -5.896 191 3HG1 VAL 28 HG13 VAL 28 -1.677 -3.874 -6.630 192 1HG2 VAL 28 HG21 VAL 28 -3.726 -4.735 -2.875 193 2HG2 VAL 28 HG22 VAL 28 -2.695 -6.042 -3.573 194 3HG2 VAL 28 HG23 VAL 28 -4.221 -5.555 -4.393 195 H CYS 29 HN CYS 29 -2.546 -1.375 -3.760 196 HA CYS 29 HA CYS 29 -2.519 -1.175 -0.860 197 1HB CYS 29 HB2 CYS 29 -3.740 0.515 -3.135 198 2HB CYS 29 HB1 CYS 29 -4.016 0.901 -1.404 199 H ALA 30 HN ALA 30 -4.169 -1.787 0.448 200 HA ALA 30 HA ALA 30 -6.777 -2.240 -0.802 201 1HB ALA 30 HB1 ALA 30 -7.104 -4.365 0.454 202 2HB ALA 30 HB2 ALA 30 -5.432 -4.240 1.142 203 3HB ALA 30 HB3 ALA 30 -5.683 -4.532 -0.616 204 H ASP 31 HN ASP 31 -7.622 -3.231 1.879 205 HA ASP 31 HA ASP 31 -7.179 -0.898 3.552 206 1HB ASP 31 HB2 ASP 31 -9.645 -1.092 4.291 207 2HB ASP 31 HB1 ASP 31 -9.384 -0.422 2.657 208 H LEU 32 HN LEU 32 -8.808 -2.193 5.705 209 HA LEU 32 HA LEU 32 -7.681 -4.804 5.918 210 1HB LEU 32 HB2 LEU 32 -6.115 -3.259 7.332 211 2HB LEU 32 HB1 LEU 32 -7.587 -2.601 8.113 212 HG LEU 32 HG LEU 32 -8.115 -4.935 8.975 213 1HD1 LEU 32 HD11 LEU 32 -6.298 -6.667 9.000 214 2HD1 LEU 32 HD12 LEU 32 -5.291 -5.631 7.923 215 3HD1 LEU 32 HD13 LEU 32 -6.838 -6.323 7.320 216 1HD2 LEU 32 HD21 LEU 32 -6.992 -3.237 10.408 217 2HD2 LEU 32 HD22 LEU 32 -5.377 -3.805 9.839 218 3HD2 LEU 32 HD23 LEU 32 -6.436 -4.905 10.801 219 1HN NH2 33 H1 NH2 33 -11.073 -5.030 7.155 220 2HN NH2 33 H2 NH2 33 -9.580 -5.890 6.970 Start of MODEL 9 1 1H ASP 1 HT1 ASP 1 1.128 15.016 2.334 2 2H ASP 1 HT2 ASP 1 2.677 15.297 1.972 3 3H ASP 1 HT3 ASP 1 2.251 15.008 3.527 4 HA ASP 1 HA ASP 1 3.307 13.087 2.412 5 1HB ASP 1 HB2 ASP 1 0.326 12.770 3.226 6 2HB ASP 1 HB1 ASP 1 1.437 11.376 2.968 7 H ASP 2 HN ASP 2 2.200 11.047 0.912 8 HA ASP 2 HA ASP 2 0.463 11.977 -1.073 9 1HB ASP 2 HB2 ASP 2 3.327 10.929 -1.750 10 2HB ASP 2 HB1 ASP 2 1.958 10.958 -2.923 11 H CYS 3 HN CYS 3 -0.127 9.546 -2.045 12 HA CYS 3 HA CYS 3 0.878 7.496 -0.404 13 1HB CYS 3 HB2 CYS 3 -1.428 6.761 0.390 14 2HB CYS 3 HB1 CYS 3 -0.753 8.157 1.262 15 H ILE 4 HN ILE 4 -0.163 5.503 -1.234 16 HA ILE 4 HA ILE 4 -0.451 5.786 -4.112 17 HB ILE 4 HB ILE 4 -0.171 3.323 -2.342 18 1HG1 ILE 4 HG12 ILE 4 1.840 4.810 -2.145 19 2HG1 ILE 4 HG11 ILE 4 2.142 3.187 -2.823 20 1HG2 ILE 4 HG21 ILE 4 0.554 2.204 -4.508 21 2HG2 ILE 4 HG22 ILE 4 0.075 3.679 -5.418 22 3HG2 ILE 4 HG23 ILE 4 -1.156 2.705 -4.529 23 1HD1 ILE 4 HD11 ILE 4 2.296 4.131 -5.142 24 2HD1 ILE 4 HD12 ILE 4 3.441 4.954 -4.033 25 3HD1 ILE 4 HD13 ILE 4 1.909 5.774 -4.499 26 H LYS 5 HN LYS 5 -2.203 4.712 -5.220 27 HA LYS 5 HA LYS 5 -4.659 5.509 -4.088 28 1HB LYS 5 HB2 LYS 5 -3.994 5.870 -6.512 29 2HB LYS 5 HB1 LYS 5 -3.981 4.091 -6.752 30 1HG LYS 5 HG2 LYS 5 -6.462 4.034 -6.300 31 2HG LYS 5 HG1 LYS 5 -6.437 5.819 -6.053 32 1HD LYS 5 HD2 LYS 5 -5.688 6.116 -8.430 33 2HD LYS 5 HD1 LYS 5 -5.667 4.324 -8.636 34 1HE LYS 5 HE2 LYS 5 -8.144 4.231 -8.164 35 2HE LYS 5 HE1 LYS 5 -8.168 6.034 -7.988 36 1HZ LYS 5 HZ1 LYS 5 -7.432 6.170 -10.261 37 2HZ LYS 5 HZ2 LYS 5 -8.818 5.325 -10.159 38 3HZ LYS 5 HZ3 LYS 5 -7.411 4.549 -10.412 39 HA HYP 6 HA HYP 6 -5.690 1.450 -2.673 40 1HB HYP 6 HB1 HYP 6 -7.940 1.404 -1.869 41 2HB HYP 6 HB2 HYP 6 -8.583 2.027 -3.434 42 1HD HYP 6 HD1 HYP 6 -7.552 4.422 -4.208 43 2HD HYP 6 HD2 HYP 6 -6.424 5.181 -3.006 44 HOD HYP 6 HOD HYP 6 -6.808 2.828 -0.652 45 HG HYP 6 HG HYP 6 -8.676 4.053 -2.030 46 H TYR 7 HN TYR 7 -5.582 -0.594 -3.742 47 HA TYR 7 HA TYR 7 -5.423 -1.991 -5.270 48 1HB TYR 7 HB2 TYR 7 -7.916 -0.766 -6.564 49 2HB TYR 7 HB1 TYR 7 -7.203 -2.375 -6.978 50 HD1 TYR 7 HD1 TYR 7 -9.352 -0.607 -4.649 51 HD2 TYR 7 HD2 TYR 7 -6.800 -4.040 -5.067 52 HE1 TYR 7 HE1 TYR 7 -10.332 -1.584 -2.603 53 HE2 TYR 7 HE2 TYR 7 -7.749 -5.011 -3.025 54 HH TYR 7 HH TYR 7 -9.141 -4.669 -1.241 55 H GLY 8 HN GLY 8 -4.027 0.643 -5.588 56 1HA GLY 8 HA2 GLY 8 -3.053 0.062 -8.307 57 2HA GLY 8 HA1 GLY 8 -2.657 1.483 -7.239 58 H PHE 9 HN PHE 9 -0.474 -0.186 -8.183 59 HA PHE 9 HA PHE 9 0.037 -2.067 -6.030 60 1HB PHE 9 HB2 PHE 9 1.583 -1.381 -8.590 61 2HB PHE 9 HB1 PHE 9 2.386 -2.215 -7.215 62 HD1 PHE 9 HD1 PHE 9 2.010 -4.477 -6.714 63 HD2 PHE 9 HD2 PHE 9 -0.481 -2.533 -9.634 64 HE1 PHE 9 HE1 PHE 9 1.116 -6.675 -7.418 65 HE2 PHE 9 HE2 PHE 9 -1.387 -4.728 -10.316 66 HZ PHE 9 HZ PHE 9 -0.581 -6.802 -9.226 67 H CYS 10 HN CYS 10 1.599 -1.780 -4.450 68 HA CYS 10 HA CYS 10 2.470 1.033 -4.133 69 1HB CYS 10 HB2 CYS 10 2.665 0.475 -1.637 70 2HB CYS 10 HB1 CYS 10 1.028 0.637 -2.304 71 H SER 11 HN SER 11 4.630 0.842 -2.442 72 HA SER 11 HA SER 11 6.341 -1.179 -3.398 73 1HB SER 11 HB2 SER 11 8.014 0.662 -4.214 74 2HB SER 11 HB1 SER 11 6.644 0.330 -5.337 75 HG SER 11 HG SER 11 6.886 2.504 -5.109 76 H LEU 12 HN LEU 12 8.541 -0.456 -2.101 77 HA LEU 12 HA LEU 12 8.073 1.199 0.084 78 1HB LEU 12 HB2 LEU 12 8.855 -1.794 0.368 79 2HB LEU 12 HB1 LEU 12 9.071 -0.580 1.667 80 HG LEU 12 HG LEU 12 6.361 -1.410 0.460 81 1HD1 LEU 12 HD11 LEU 12 5.970 -2.679 2.567 82 2HD1 LEU 12 HD12 LEU 12 7.651 -2.317 3.114 83 3HD1 LEU 12 HD13 LEU 12 7.370 -3.331 1.645 84 1HD2 LEU 12 HD21 LEU 12 5.325 -0.259 2.392 85 2HD2 LEU 12 HD22 LEU 12 6.306 0.892 1.427 86 3HD2 LEU 12 HD23 LEU 12 6.946 0.261 2.994 87 HA PRO 13 HA PRO 13 10.519 1.106 1.750 88 1HB PRO 13 HB2 PRO 13 12.319 3.262 1.709 89 2HB PRO 13 HB1 PRO 13 12.855 1.540 1.643 90 1HG PRO 13 HG1 PRO 13 12.405 3.443 -0.725 91 2HG PRO 13 HG2 PRO 13 13.866 2.427 -0.372 92 1HD PRO 13 HD1 PRO 13 11.873 1.582 -2.101 93 2HD PRO 13 HD2 PRO 13 12.667 0.390 -0.979 94 H ILE 14 HN ILE 14 9.923 3.115 2.982 95 HA ILE 14 HA ILE 14 7.873 4.541 1.537 96 HB ILE 14 HB ILE 14 7.214 3.499 3.569 97 1HG1 ILE 14 HG12 ILE 14 6.225 5.760 3.039 98 2HG1 ILE 14 HG11 ILE 14 6.081 5.164 4.712 99 1HG2 ILE 14 HG21 ILE 14 9.507 4.968 5.018 100 2HG2 ILE 14 HG22 ILE 14 9.340 3.196 4.747 101 3HG2 ILE 14 HG23 ILE 14 8.181 4.050 5.810 102 1HD1 ILE 14 HD11 ILE 14 7.924 6.713 5.449 103 2HD1 ILE 14 HD12 ILE 14 6.523 7.572 4.725 104 3HD1 ILE 14 HD13 ILE 14 8.030 7.375 3.777 105 H LEU 15 HN LEU 15 8.392 6.426 0.592 106 HA LEU 15 HA LEU 15 10.254 8.195 1.973 107 1HB LEU 15 HB2 LEU 15 10.370 7.452 -1.026 108 2HB LEU 15 HB1 LEU 15 11.099 8.954 -0.358 109 HG LEU 15 HG LEU 15 11.863 6.089 0.468 110 1HD1 LEU 15 HD11 LEU 15 13.912 6.406 -0.898 111 2HD1 LEU 15 HD12 LEU 15 13.329 8.026 -1.438 112 3HD1 LEU 15 HD13 LEU 15 12.436 6.532 -1.922 113 1HD2 LEU 15 HD21 LEU 15 12.389 7.668 2.285 114 2HD2 LEU 15 HD22 LEU 15 13.185 8.807 1.134 115 3HD2 LEU 15 HD23 LEU 15 13.909 7.190 1.465 116 H LYS 16 HN LYS 16 8.436 8.079 -1.145 117 HA LYS 16 HA LYS 16 6.595 10.120 -0.112 118 1HB LYS 16 HB2 LYS 16 8.129 10.240 -2.800 119 2HB LYS 16 HB1 LYS 16 6.704 11.259 -2.389 120 1HG LYS 16 HG2 LYS 16 7.967 12.351 -0.550 121 2HG LYS 16 HG1 LYS 16 9.376 11.280 -0.850 122 1HD LYS 16 HD2 LYS 16 9.831 13.443 -1.809 123 2HD LYS 16 HD1 LYS 16 9.634 12.260 -3.149 124 1HE LYS 16 HE2 LYS 16 7.326 13.145 -3.615 125 2HE LYS 16 HE1 LYS 16 7.455 14.253 -2.189 126 1HZ LYS 16 HZ1 LYS 16 7.961 15.433 -4.117 127 2HZ LYS 16 HZ2 LYS 16 9.035 14.342 -4.664 128 3HZ LYS 16 HZ3 LYS 16 9.378 15.232 -3.345 129 H ASN 17 HN ASN 17 6.150 7.443 -0.012 130 HA ASN 17 HA ASN 17 4.259 6.687 -1.815 131 1HB ASN 17 HB2 ASN 17 5.534 4.875 -3.036 132 2HB ASN 17 HB1 ASN 17 6.182 6.469 -3.522 133 1HD2 ASN 17 HD22 ASN 17 7.192 3.366 -2.711 134 2HD2 ASN 17 HD21 ASN 17 8.553 3.695 -1.662 135 H GLY 18 HN GLY 18 4.265 4.059 -1.089 136 1HA GLY 18 HA2 GLY 18 5.121 2.539 0.424 137 2HA GLY 18 HA1 GLY 18 5.543 3.874 1.563 138 H LEU 19 HN LEU 19 3.327 5.415 1.545 139 HA LEU 19 HA LEU 19 1.534 3.815 3.136 140 1HB LEU 19 HB2 LEU 19 1.480 6.780 2.291 141 2HB LEU 19 HB1 LEU 19 0.265 6.037 3.386 142 HG LEU 19 HG LEU 19 3.260 5.994 4.051 143 1HD1 LEU 19 HD11 LEU 19 2.947 8.063 5.389 144 2HD1 LEU 19 HD12 LEU 19 1.259 8.232 4.776 145 3HD1 LEU 19 HD13 LEU 19 2.652 8.368 3.642 146 1HD2 LEU 19 HD21 LEU 19 2.427 5.800 6.407 147 2HD2 LEU 19 HD22 LEU 19 1.792 4.460 5.385 148 3HD2 LEU 19 HD23 LEU 19 0.724 5.841 5.820 149 H CYS 20 HN CYS 20 -0.394 2.970 2.398 150 HA CYS 20 HA CYS 20 -1.346 3.782 -0.250 151 1HB CYS 20 HB2 CYS 20 -2.242 1.626 1.752 152 2HB CYS 20 HB1 CYS 20 -3.151 2.034 0.267 153 H CYS 21 HN CYS 21 -3.375 4.907 -0.414 154 HA CYS 21 HA CYS 21 -3.764 6.631 1.757 155 1HB CYS 21 HB2 CYS 21 -5.720 6.142 -0.545 156 2HB CYS 21 HB1 CYS 21 -5.666 7.578 0.531 157 H SER 22 HN SER 22 -5.431 3.579 0.882 158 HA SER 22 HA SER 22 -7.316 3.888 3.036 159 1HB SER 22 HB2 SER 22 -7.954 1.490 2.222 160 2HB SER 22 HB1 SER 22 -8.248 2.865 1.111 161 HG SER 22 HG SER 22 -6.390 0.786 0.985 162 H GLY 23 HN GLY 23 -4.073 3.395 3.202 163 1HA GLY 23 HA2 GLY 23 -3.142 2.918 5.170 164 2HA GLY 23 HA1 GLY 23 -4.477 1.785 5.607 165 H ALA 24 HN ALA 24 -4.604 -0.169 3.898 166 HA ALA 24 HA ALA 24 -2.129 -1.437 4.606 167 1HB ALA 24 HB1 ALA 24 -3.193 -3.569 3.902 168 2HB ALA 24 HB2 ALA 24 -4.564 -2.650 3.179 169 3HB ALA 24 HB3 ALA 24 -4.310 -2.641 4.966 170 H CYS 25 HN CYS 25 -0.538 -2.282 3.273 171 HA CYS 25 HA CYS 25 -0.756 -1.935 0.388 172 1HB CYS 25 HB2 CYS 25 0.961 -0.277 1.249 173 2HB CYS 25 HB1 CYS 25 1.625 -1.522 2.332 174 H VAL 26 HN VAL 26 -0.722 -4.026 -0.438 175 HA VAL 26 HA VAL 26 0.666 -6.087 1.074 176 HB VAL 26 HB VAL 26 -1.622 -6.033 1.972 177 1HG1 VAL 26 HG11 VAL 26 -2.601 -6.368 -0.941 178 2HG1 VAL 26 HG12 VAL 26 -2.822 -4.925 0.114 179 3HG1 VAL 26 HG13 VAL 26 -3.610 -6.479 0.546 180 1HG2 VAL 26 HG21 VAL 26 -0.453 -8.206 1.792 181 2HG2 VAL 26 HG22 VAL 26 -1.165 -8.478 0.154 182 3HG2 VAL 26 HG23 VAL 26 -2.233 -8.392 1.596 183 H GLY 27 HN GLY 27 1.586 -4.610 -1.047 184 1HA GLY 27 HA2 GLY 27 2.624 -5.180 -3.001 185 2HA GLY 27 HA1 GLY 27 1.410 -6.489 -3.299 186 H VAL 28 HN VAL 28 -0.949 -5.539 -3.203 187 HA VAL 28 HA VAL 28 -1.073 -3.064 -4.773 188 HB VAL 28 HB VAL 28 -3.517 -3.512 -4.932 189 1HG1 VAL 28 HG11 VAL 28 -1.629 -5.694 -6.046 190 2HG1 VAL 28 HG12 VAL 28 -1.898 -4.064 -6.754 191 3HG1 VAL 28 HG13 VAL 28 -3.249 -5.254 -6.703 192 1HG2 VAL 28 HG21 VAL 28 -2.767 -6.279 -3.731 193 2HG2 VAL 28 HG22 VAL 28 -4.365 -5.788 -4.386 194 3HG2 VAL 28 HG23 VAL 28 -3.741 -5.001 -2.899 195 H CYS 29 HN CYS 29 -2.581 -1.414 -3.875 196 HA CYS 29 HA CYS 29 -2.498 -1.360 -0.954 197 1HB CYS 29 HB2 CYS 29 -3.780 0.459 -3.068 198 2HB CYS 29 HB1 CYS 29 -3.931 0.761 -1.306 199 H ALA 30 HN ALA 30 -4.364 -1.555 0.406 200 HA ALA 30 HA ALA 30 -6.903 -2.062 -0.847 201 1HB ALA 30 HB1 ALA 30 -5.823 -4.390 -0.913 202 2HB ALA 30 HB2 ALA 30 -7.243 -4.324 0.180 203 3HB ALA 30 HB3 ALA 30 -5.570 -4.287 0.862 204 H ASP 31 HN ASP 31 -7.713 -3.355 1.867 205 HA ASP 31 HA ASP 31 -6.749 -1.551 3.798 206 1HB ASP 31 HB2 ASP 31 -9.145 -1.179 4.695 207 2HB ASP 31 HB1 ASP 31 -8.717 -0.162 3.287 208 H LEU 32 HN LEU 32 -7.352 -2.836 5.890 209 HA LEU 32 HA LEU 32 -8.472 -5.359 5.611 210 1HB LEU 32 HB2 LEU 32 -5.457 -4.970 6.290 211 2HB LEU 32 HB1 LEU 32 -6.395 -6.388 6.864 212 HG LEU 32 HG LEU 32 -5.906 -5.704 3.904 213 1HD1 LEU 32 HD11 LEU 32 -3.757 -6.244 5.007 214 2HD1 LEU 32 HD12 LEU 32 -4.261 -7.574 3.904 215 3HD1 LEU 32 HD13 LEU 32 -4.453 -7.765 5.687 216 1HD2 LEU 32 HD21 LEU 32 -7.960 -7.060 4.197 217 2HD2 LEU 32 HD22 LEU 32 -7.076 -8.236 5.241 218 3HD2 LEU 32 HD23 LEU 32 -6.657 -8.073 3.494 219 1HN NH2 33 H1 NH2 33 -8.557 -5.865 8.152 220 2HN NH2 33 H2 NH2 33 -8.504 -4.481 9.190 Start of MODEL 10 1 1H ASP 1 HT1 ASP 1 5.435 9.026 -4.813 2 2H ASP 1 HT2 ASP 1 3.843 9.065 -4.394 3 3H ASP 1 HT3 ASP 1 4.919 8.178 -3.523 4 HA ASP 1 HA ASP 1 5.592 9.862 -2.314 5 1HB ASP 1 HB2 ASP 1 5.030 11.654 -4.780 6 2HB ASP 1 HB1 ASP 1 5.568 12.300 -3.188 7 H ASP 2 HN ASP 2 4.240 11.295 -0.911 8 HA ASP 2 HA ASP 2 2.473 11.842 0.094 9 1HB ASP 2 HB2 ASP 2 1.774 13.104 -2.015 10 2HB ASP 2 HB1 ASP 2 0.704 11.725 -2.409 11 H CYS 3 HN CYS 3 0.237 9.883 -1.949 12 HA CYS 3 HA CYS 3 0.763 7.638 -0.237 13 1HB CYS 3 HB2 CYS 3 -1.481 7.161 0.367 14 2HB CYS 3 HB1 CYS 3 -1.193 8.847 0.873 15 H ILE 4 HN ILE 4 -0.407 5.754 -1.218 16 HA ILE 4 HA ILE 4 -0.309 5.960 -4.138 17 HB ILE 4 HB ILE 4 0.011 3.499 -2.353 18 1HG1 ILE 4 HG12 ILE 4 2.226 5.218 -3.642 19 2HG1 ILE 4 HG11 ILE 4 1.829 5.185 -1.893 20 1HG2 ILE 4 HG21 ILE 4 1.022 2.536 -4.486 21 2HG2 ILE 4 HG22 ILE 4 0.562 4.027 -5.362 22 3HG2 ILE 4 HG23 ILE 4 -0.700 2.931 -4.668 23 1HD1 ILE 4 HD11 ILE 4 3.722 3.729 -2.226 24 2HD1 ILE 4 HD12 ILE 4 2.891 2.807 -3.523 25 3HD1 ILE 4 HD13 ILE 4 2.287 2.729 -1.812 26 H LYS 5 HN LYS 5 -1.967 4.477 -5.132 27 HA LYS 5 HA LYS 5 -4.382 5.612 -4.157 28 1HB LYS 5 HB2 LYS 5 -3.517 6.011 -6.446 29 2HB LYS 5 HB1 LYS 5 -3.585 4.251 -6.801 30 1HG LYS 5 HG2 LYS 5 -6.010 4.242 -6.752 31 2HG LYS 5 HG1 LYS 5 -6.083 5.916 -6.095 32 1HD LYS 5 HD2 LYS 5 -4.876 5.191 -8.841 33 2HD LYS 5 HD1 LYS 5 -6.606 5.602 -8.612 34 1HE LYS 5 HE2 LYS 5 -4.239 7.488 -7.951 35 2HE LYS 5 HE1 LYS 5 -5.275 7.566 -9.429 36 1HZ LYS 5 HZ1 LYS 5 -6.227 7.906 -6.666 37 2HZ LYS 5 HZ2 LYS 5 -7.132 7.999 -8.011 38 3HZ LYS 5 HZ3 LYS 5 -5.961 9.092 -7.746 39 HA HYP 6 HA HYP 6 -5.803 1.735 -2.702 40 1HB HYP 6 HB1 HYP 6 -8.052 1.946 -1.933 41 2HB HYP 6 HB2 HYP 6 -8.628 2.506 -3.542 42 1HD HYP 6 HD1 HYP 6 -7.374 4.741 -4.486 43 2HD HYP 6 HD2 HYP 6 -6.235 5.512 -3.294 44 HOD HYP 6 HOD HYP 6 -6.659 3.321 -0.944 45 HG HYP 6 HG HYP 6 -8.575 4.645 -2.324 46 H TYR 7 HN TYR 7 -5.809 -0.339 -3.615 47 HA TYR 7 HA TYR 7 -5.651 -1.843 -5.026 48 1HB TYR 7 HB2 TYR 7 -8.181 -0.729 -6.323 49 2HB TYR 7 HB1 TYR 7 -7.440 -2.335 -6.724 50 HD1 TYR 7 HD1 TYR 7 -9.588 -0.592 -4.377 51 HD2 TYR 7 HD2 TYR 7 -6.925 -3.940 -4.778 52 HE1 TYR 7 HE1 TYR 7 -10.576 -1.609 -2.365 53 HE2 TYR 7 HE2 TYR 7 -7.904 -4.962 -2.758 54 HH TYR 7 HH TYR 7 -10.481 -3.338 -0.866 55 H GLY 8 HN GLY 8 -4.195 0.649 -5.507 56 1HA GLY 8 HA2 GLY 8 -3.315 -0.049 -8.222 57 2HA GLY 8 HA1 GLY 8 -2.827 1.376 -7.191 58 H PHE 9 HN PHE 9 -0.751 -0.208 -8.169 59 HA PHE 9 HA PHE 9 -0.129 -2.316 -6.329 60 1HB PHE 9 HB2 PHE 9 1.615 -0.888 -8.451 61 2HB PHE 9 HB1 PHE 9 2.165 -2.277 -7.442 62 HD1 PHE 9 HD1 PHE 9 1.185 -4.519 -7.724 63 HD2 PHE 9 HD2 PHE 9 0.089 -1.266 -10.313 64 HE1 PHE 9 HE1 PHE 9 0.307 -6.131 -9.376 65 HE2 PHE 9 HE2 PHE 9 -0.792 -2.878 -11.966 66 HZ PHE 9 HZ PHE 9 -0.671 -5.313 -11.514 67 H CYS 10 HN CYS 10 1.759 -2.166 -4.724 68 HA CYS 10 HA CYS 10 2.883 0.403 -4.392 69 1HB CYS 10 HB2 CYS 10 2.465 0.593 -1.960 70 2HB CYS 10 HB1 CYS 10 0.922 0.726 -2.853 71 H SER 11 HN SER 11 4.433 -0.299 -2.108 72 HA SER 11 HA SER 11 5.130 -2.952 -2.141 73 1HB SER 11 HB2 SER 11 7.508 -2.528 -3.176 74 2HB SER 11 HB1 SER 11 6.166 -2.668 -4.366 75 HG SER 11 HG SER 11 7.611 -0.902 -4.717 76 H LEU 12 HN LEU 12 7.489 -2.774 -0.950 77 HA LEU 12 HA LEU 12 8.110 -0.318 0.182 78 1HB LEU 12 HB2 LEU 12 7.811 -2.952 1.831 79 2HB LEU 12 HB1 LEU 12 8.841 -1.579 2.320 80 HG LEU 12 HG LEU 12 6.979 -1.450 3.691 81 1HD1 LEU 12 HD11 LEU 12 5.890 0.705 3.185 82 2HD1 LEU 12 HD12 LEU 12 6.371 0.597 1.457 83 3HD1 LEU 12 HD13 LEU 12 7.632 0.765 2.743 84 1HD2 LEU 12 HD21 LEU 12 5.471 -3.016 2.456 85 2HD2 LEU 12 HD22 LEU 12 4.992 -1.674 1.352 86 3HD2 LEU 12 HD23 LEU 12 4.627 -1.573 3.111 87 HA PRO 13 HA PRO 13 10.508 -0.349 1.375 88 1HB PRO 13 HB2 PRO 13 13.060 0.211 0.364 89 2HB PRO 13 HB1 PRO 13 12.714 -1.177 1.466 90 1HG PRO 13 HG1 PRO 13 12.921 -1.196 -1.589 91 2HG PRO 13 HG2 PRO 13 13.704 -2.331 -0.402 92 1HD PRO 13 HD1 PRO 13 11.303 -2.927 -1.719 93 2HD PRO 13 HD2 PRO 13 11.625 -3.491 -0.024 94 H ILE 14 HN ILE 14 11.370 1.967 0.874 95 HA ILE 14 HA ILE 14 9.443 2.989 -0.911 96 HB ILE 14 HB ILE 14 10.385 5.220 -0.039 97 1HG1 ILE 14 HG12 ILE 14 12.615 3.994 0.782 98 2HG1 ILE 14 HG11 ILE 14 11.892 5.362 1.669 99 1HG2 ILE 14 HG21 ILE 14 9.111 3.143 1.869 100 2HG2 ILE 14 HG22 ILE 14 8.254 4.242 0.741 101 3HG2 ILE 14 HG23 ILE 14 9.143 4.921 2.134 102 1HD1 ILE 14 HD11 ILE 14 12.700 3.555 3.190 103 2HD1 ILE 14 HD12 ILE 14 11.450 2.430 2.559 104 3HD1 ILE 14 HD13 ILE 14 10.969 3.939 3.408 105 H LEU 15 HN LEU 15 9.737 3.417 -3.028 106 HA LEU 15 HA LEU 15 12.441 4.200 -3.962 107 1HB LEU 15 HB2 LEU 15 9.959 2.960 -5.305 108 2HB LEU 15 HB1 LEU 15 11.132 3.921 -6.273 109 HG LEU 15 HG LEU 15 12.935 2.378 -5.832 110 1HD1 LEU 15 HD11 LEU 15 12.551 1.571 -3.567 111 2HD1 LEU 15 HD12 LEU 15 12.516 0.149 -4.662 112 3HD1 LEU 15 HD13 LEU 15 10.975 0.830 -4.020 113 1HD2 LEU 15 HD21 LEU 15 11.404 1.909 -7.748 114 2HD2 LEU 15 HD22 LEU 15 10.355 0.903 -6.675 115 3HD2 LEU 15 HD23 LEU 15 12.038 0.379 -7.043 116 H LYS 16 HN LYS 16 8.912 4.740 -4.518 117 HA LYS 16 HA LYS 16 9.253 7.580 -4.137 118 1HB LYS 16 HB2 LYS 16 8.105 8.044 -6.431 119 2HB LYS 16 HB1 LYS 16 9.857 7.700 -6.415 120 1HG LYS 16 HG2 LYS 16 9.379 5.283 -7.060 121 2HG LYS 16 HG1 LYS 16 7.640 5.709 -7.187 122 1HD LYS 16 HD2 LYS 16 8.730 5.650 -9.399 123 2HD LYS 16 HD1 LYS 16 8.116 7.294 -9.017 124 1HE LYS 16 HE2 LYS 16 10.357 7.335 -10.165 125 2HE LYS 16 HE1 LYS 16 10.471 8.069 -8.520 126 1HZ LYS 16 HZ1 LYS 16 12.251 6.539 -9.001 127 2HZ LYS 16 HZ2 LYS 16 11.208 5.307 -9.191 128 3HZ LYS 16 HZ3 LYS 16 11.370 6.011 -7.739 129 H ASN 17 HN ASN 17 8.189 5.625 -2.651 130 HA ASN 17 HA ASN 17 5.526 4.938 -3.469 131 1HB ASN 17 HB2 ASN 17 7.247 4.183 -1.020 132 2HB ASN 17 HB1 ASN 17 5.608 3.510 -1.316 133 1HD2 ASN 17 HD22 ASN 17 5.886 1.400 -1.929 134 2HD2 ASN 17 HD21 ASN 17 6.825 0.857 -3.254 135 H GLY 18 HN GLY 18 4.699 4.801 -0.364 136 1HA GLY 18 HA2 GLY 18 4.829 7.113 0.830 137 2HA GLY 18 HA1 GLY 18 3.415 7.230 -0.354 138 H LEU 19 HN LEU 19 2.075 6.880 1.825 139 HA LEU 19 HA LEU 19 2.030 4.044 2.565 140 1HB LEU 19 HB2 LEU 19 0.124 6.364 3.309 141 2HB LEU 19 HB1 LEU 19 0.058 4.712 3.990 142 HG LEU 19 HG LEU 19 2.340 6.747 4.366 143 1HD1 LEU 19 HD11 LEU 19 0.177 7.323 5.524 144 2HD1 LEU 19 HD12 LEU 19 1.497 6.937 6.694 145 3HD1 LEU 19 HD13 LEU 19 0.204 5.723 6.351 146 1HD2 LEU 19 HD21 LEU 19 3.212 5.131 6.090 147 2HD2 LEU 19 HD22 LEU 19 3.275 4.448 4.434 148 3HD2 LEU 19 HD23 LEU 19 1.972 3.928 5.572 149 H CYS 20 HN CYS 20 -0.443 3.178 2.419 150 HA CYS 20 HA CYS 20 -1.478 3.956 -0.229 151 1HB CYS 20 HB2 CYS 20 -2.230 1.708 1.738 152 2HB CYS 20 HB1 CYS 20 -3.195 2.122 0.285 153 H CYS 21 HN CYS 21 -3.449 5.223 -0.246 154 HA CYS 21 HA CYS 21 -3.890 6.634 2.178 155 1HB CYS 21 HB2 CYS 21 -5.149 6.707 -0.591 156 2HB CYS 21 HB1 CYS 21 -6.132 7.326 0.760 157 H SER 22 HN SER 22 -5.335 3.713 0.830 158 HA SER 22 HA SER 22 -7.564 3.853 2.653 159 1HB SER 22 HB2 SER 22 -7.962 1.494 1.577 160 2HB SER 22 HB1 SER 22 -8.149 2.953 0.554 161 HG SER 22 HG SER 22 -6.172 0.997 0.601 162 H GLY 23 HN GLY 23 -4.271 3.119 2.980 163 1HA GLY 23 HA2 GLY 23 -3.574 2.726 5.102 164 2HA GLY 23 HA1 GLY 23 -4.921 1.566 5.390 165 H ALA 24 HN ALA 24 -4.838 -0.360 3.612 166 HA ALA 24 HA ALA 24 -2.445 -1.596 4.616 167 1HB ALA 24 HB1 ALA 24 -3.362 -3.733 3.691 168 2HB ALA 24 HB2 ALA 24 -4.673 -2.812 2.866 169 3HB ALA 24 HB3 ALA 24 -4.602 -2.856 4.659 170 H CYS 25 HN CYS 25 -0.652 -2.476 3.431 171 HA CYS 25 HA CYS 25 -0.711 -2.044 0.567 172 1HB CYS 25 HB2 CYS 25 0.674 -0.131 1.521 173 2HB CYS 25 HB1 CYS 25 1.621 -1.322 2.460 174 H VAL 26 HN VAL 26 -0.243 -3.981 -0.283 175 HA VAL 26 HA VAL 26 1.673 -5.702 1.030 176 HB VAL 26 HB VAL 26 -0.438 -6.811 1.561 177 1HG1 VAL 26 HG11 VAL 26 -2.097 -7.486 -0.120 178 2HG1 VAL 26 HG12 VAL 26 -1.223 -6.603 -1.415 179 3HG1 VAL 26 HG13 VAL 26 -1.942 -5.700 -0.036 180 1HG2 VAL 26 HG21 VAL 26 -0.046 -8.884 -0.253 181 2HG2 VAL 26 HG22 VAL 26 0.879 -8.608 1.264 182 3HG2 VAL 26 HG23 VAL 26 1.554 -8.056 -0.298 183 H GLY 27 HN GLY 27 0.879 -7.067 -1.951 184 1HA GLY 27 HA2 GLY 27 2.717 -5.346 -3.318 185 2HA GLY 27 HA1 GLY 27 1.711 -6.689 -3.993 186 H VAL 28 HN VAL 28 -0.384 -4.740 -2.412 187 HA VAL 28 HA VAL 28 -0.967 -2.948 -4.550 188 HB VAL 28 HB VAL 28 -3.387 -3.685 -4.698 189 1HG1 VAL 28 HG11 VAL 28 -1.290 -5.689 -5.777 190 2HG1 VAL 28 HG12 VAL 28 -1.772 -4.127 -6.544 191 3HG1 VAL 28 HG13 VAL 28 -2.969 -5.471 -6.393 192 1HG2 VAL 28 HG21 VAL 28 -2.309 -6.286 -3.387 193 2HG2 VAL 28 HG22 VAL 28 -3.946 -6.053 -4.095 194 3HG2 VAL 28 HG23 VAL 28 -3.468 -5.121 -2.639 195 H CYS 29 HN CYS 29 -2.575 -1.461 -3.743 196 HA CYS 29 HA CYS 29 -2.515 -1.230 -0.849 197 1HB CYS 29 HB2 CYS 29 -3.799 0.474 -3.086 198 2HB CYS 29 HB1 CYS 29 -3.969 0.867 -1.350 199 H ALA 30 HN ALA 30 -4.285 -1.665 0.487 200 HA ALA 30 HA ALA 30 -6.852 -2.116 -0.861 201 1HB ALA 30 HB1 ALA 30 -5.860 -4.429 -0.528 202 2HB ALA 30 HB2 ALA 30 -7.363 -4.174 0.408 203 3HB ALA 30 HB3 ALA 30 -5.752 -4.089 1.236 204 H ASP 31 HN ASP 31 -8.111 -2.873 1.673 205 HA ASP 31 HA ASP 31 -7.800 -0.386 3.155 206 1HB ASP 31 HB2 ASP 31 -10.453 -0.524 3.386 207 2HB ASP 31 HB1 ASP 31 -9.706 0.277 1.975 208 H LEU 32 HN LEU 32 -9.342 -0.707 5.255 209 HA LEU 32 HA LEU 32 -9.321 -3.262 6.374 210 1HB LEU 32 HB2 LEU 32 -7.408 -0.958 7.211 211 2HB LEU 32 HB1 LEU 32 -7.988 -2.145 8.418 212 HG LEU 32 HG LEU 32 -6.436 -2.960 5.900 213 1HD1 LEU 32 HD11 LEU 32 -5.294 -2.311 8.688 214 2HD1 LEU 32 HD12 LEU 32 -5.022 -1.371 7.169 215 3HD1 LEU 32 HD13 LEU 32 -4.379 -3.054 7.318 216 1HD2 LEU 32 HD21 LEU 32 -7.697 -4.809 6.992 217 2HD2 LEU 32 HD22 LEU 32 -6.920 -4.423 8.576 218 3HD2 LEU 32 HD23 LEU 32 -5.924 -5.031 7.206 219 1HN NH2 33 H1 NH2 33 -11.438 -1.065 8.506 220 2HN NH2 33 H2 NH2 33 -10.519 -2.535 8.599 Start of MODEL 11 1 1H ASP 1 HT1 ASP 1 0.410 16.570 1.466 2 2H ASP 1 HT2 ASP 1 -0.769 16.071 0.445 3 3H ASP 1 HT3 ASP 1 0.678 16.480 -0.148 4 HA ASP 1 HA ASP 1 1.741 14.628 0.783 5 1HB ASP 1 HB2 ASP 1 -1.045 14.034 2.020 6 2HB ASP 1 HB1 ASP 1 0.309 12.852 1.988 7 H ASP 2 HN ASP 2 0.809 12.067 0.110 8 HA ASP 2 HA ASP 2 -0.945 12.065 -2.029 9 1HB ASP 2 HB2 ASP 2 2.090 11.502 -2.502 10 2HB ASP 2 HB1 ASP 2 0.776 10.906 -3.587 11 H CYS 3 HN CYS 3 -0.283 9.314 -2.604 12 HA CYS 3 HA CYS 3 0.676 7.978 -0.389 13 1HB CYS 3 HB2 CYS 3 -1.503 6.750 0.113 14 2HB CYS 3 HB1 CYS 3 -1.562 8.450 0.657 15 H ILE 4 HN ILE 4 -0.190 5.516 -1.272 16 HA ILE 4 HA ILE 4 -0.214 5.758 -4.212 17 HB ILE 4 HB ILE 4 0.396 3.311 -2.526 18 1HG1 ILE 4 HG12 ILE 4 2.007 5.363 -4.160 19 2HG1 ILE 4 HG11 ILE 4 2.273 4.800 -2.476 20 1HG2 ILE 4 HG21 ILE 4 -0.889 2.702 -4.604 21 2HG2 ILE 4 HG22 ILE 4 0.813 2.224 -4.731 22 3HG2 ILE 4 HG23 ILE 4 0.248 3.691 -5.604 23 1HD1 ILE 4 HD11 ILE 4 2.826 3.200 -5.074 24 2HD1 ILE 4 HD12 ILE 4 3.007 2.549 -3.397 25 3HD1 ILE 4 HD13 ILE 4 4.026 3.919 -3.948 26 H LYS 5 HN LYS 5 -1.897 4.609 -5.268 27 HA LYS 5 HA LYS 5 -4.294 5.645 -4.231 28 1HB LYS 5 HB2 LYS 5 -3.484 5.836 -6.617 29 2HB LYS 5 HB1 LYS 5 -3.662 4.056 -6.801 30 1HG LYS 5 HG2 LYS 5 -6.147 4.284 -6.528 31 2HG LYS 5 HG1 LYS 5 -5.952 6.059 -6.283 32 1HD LYS 5 HD2 LYS 5 -4.867 6.214 -8.562 33 2HD LYS 5 HD1 LYS 5 -5.187 4.456 -8.808 34 1HE LYS 5 HE2 LYS 5 -7.662 4.879 -8.640 35 2HE LYS 5 HE1 LYS 5 -7.343 6.640 -8.351 36 1HZ LYS 5 HZ1 LYS 5 -7.835 6.184 -10.629 37 2HZ LYS 5 HZ2 LYS 5 -6.598 5.135 -10.763 38 3HZ LYS 5 HZ3 LYS 5 -6.300 6.709 -10.495 39 HA HYP 6 HA HYP 6 -5.686 1.702 -2.766 40 1HB HYP 6 HB1 HYP 6 -7.954 1.841 -1.979 41 2HB HYP 6 HB2 HYP 6 -8.481 2.714 -3.474 42 1HD HYP 6 HD1 HYP 6 -7.177 4.979 -4.055 43 2HD HYP 6 HD2 HYP 6 -5.873 5.425 -2.866 44 HOD HYP 6 HOD HYP 6 -6.488 2.894 -0.746 45 HG HYP 6 HG HYP 6 -8.214 4.557 -1.822 46 H TYR 7 HN TYR 7 -5.781 -0.296 -3.750 47 HA TYR 7 HA TYR 7 -5.760 -1.775 -5.201 48 1HB TYR 7 HB2 TYR 7 -8.019 -0.353 -6.701 49 2HB TYR 7 HB1 TYR 7 -7.461 -2.046 -6.992 50 HD1 TYR 7 HD1 TYR 7 -9.628 0.017 -5.005 51 HD2 TYR 7 HD2 TYR 7 -7.331 -3.614 -4.865 52 HE1 TYR 7 HE1 TYR 7 -10.937 -0.721 -3.057 53 HE2 TYR 7 HE2 TYR 7 -8.628 -4.360 -2.906 54 HH TYR 7 HH TYR 7 -11.020 -2.261 -1.307 55 H GLY 8 HN GLY 8 -4.107 0.757 -5.512 56 1HA GLY 8 HA2 GLY 8 -3.166 0.171 -8.237 57 2HA GLY 8 HA1 GLY 8 -2.697 1.542 -7.136 58 H PHE 9 HN PHE 9 -0.684 -0.269 -8.260 59 HA PHE 9 HA PHE 9 -0.175 -2.244 -6.246 60 1HB PHE 9 HB2 PHE 9 2.129 -2.404 -7.596 61 2HB PHE 9 HB1 PHE 9 0.621 -3.198 -8.125 62 HD1 PHE 9 HD1 PHE 9 0.037 -2.996 -10.326 63 HD2 PHE 9 HD2 PHE 9 2.341 0.185 -8.567 64 HE1 PHE 9 HE1 PHE 9 0.200 -1.893 -12.529 65 HE2 PHE 9 HE2 PHE 9 2.467 1.302 -10.762 66 HZ PHE 9 HZ PHE 9 1.418 0.260 -12.755 67 H CYS 10 HN CYS 10 1.605 -2.192 -4.710 68 HA CYS 10 HA CYS 10 2.989 0.338 -4.525 69 1HB CYS 10 HB2 CYS 10 2.584 0.661 -2.110 70 2HB CYS 10 HB1 CYS 10 1.060 0.792 -3.025 71 H SER 11 HN SER 11 4.485 -0.286 -2.183 72 HA SER 11 HA SER 11 5.233 -2.952 -2.150 73 1HB SER 11 HB2 SER 11 7.752 -2.129 -2.727 74 2HB SER 11 HB1 SER 11 6.679 -2.677 -4.067 75 HG SER 11 HG SER 11 6.168 -0.609 -4.534 76 H LEU 12 HN LEU 12 7.156 -2.753 -0.279 77 HA LEU 12 HA LEU 12 7.166 -0.465 1.224 78 1HB LEU 12 HB2 LEU 12 5.766 -1.143 3.090 79 2HB LEU 12 HB1 LEU 12 4.708 -1.196 1.669 80 HG LEU 12 HG LEU 12 6.042 -3.676 2.942 81 1HD1 LEU 12 HD11 LEU 12 4.514 -2.612 4.551 82 2HD1 LEU 12 HD12 LEU 12 3.817 -4.160 3.939 83 3HD1 LEU 12 HD13 LEU 12 3.191 -2.590 3.322 84 1HD2 LEU 12 HD21 LEU 12 3.802 -3.492 0.821 85 2HD2 LEU 12 HD22 LEU 12 4.287 -4.985 1.702 86 3HD2 LEU 12 HD23 LEU 12 5.458 -4.181 0.603 87 HA PRO 13 HA PRO 13 7.488 -1.483 4.206 88 1HB PRO 13 HB2 PRO 13 10.347 -1.282 5.099 89 2HB PRO 13 HB1 PRO 13 8.957 -2.063 5.911 90 1HG PRO 13 HG1 PRO 13 11.082 -3.461 4.665 91 2HG PRO 13 HG2 PRO 13 9.439 -4.145 4.997 92 1HD PRO 13 HD1 PRO 13 10.579 -3.140 2.366 93 2HD PRO 13 HD2 PRO 13 9.311 -4.404 2.680 94 H ILE 14 HN ILE 14 10.735 -0.684 3.057 95 HA ILE 14 HA ILE 14 11.763 1.133 2.671 96 HB ILE 14 HB ILE 14 9.698 1.727 0.580 97 1HG1 ILE 14 HG12 ILE 14 11.796 -0.515 0.740 98 2HG1 ILE 14 HG11 ILE 14 10.017 -0.671 0.518 99 1HG2 ILE 14 HG21 ILE 14 12.792 2.002 0.662 100 2HG2 ILE 14 HG22 ILE 14 11.639 3.366 0.883 101 3HG2 ILE 14 HG23 ILE 14 11.708 2.519 -0.683 102 1HD1 ILE 14 HD11 ILE 14 12.044 0.426 -1.527 103 2HD1 ILE 14 HD12 ILE 14 10.251 0.501 -1.739 104 3HD1 ILE 14 HD13 ILE 14 11.091 -1.089 -1.617 105 H LEU 15 HN LEU 15 9.181 3.348 1.645 106 HA LEU 15 HA LEU 15 9.287 4.632 4.269 107 1HB LEU 15 HB2 LEU 15 9.763 6.042 1.565 108 2HB LEU 15 HB1 LEU 15 9.635 6.871 3.167 109 HG LEU 15 HG LEU 15 11.836 4.875 2.417 110 1HD1 LEU 15 HD11 LEU 15 11.949 6.911 0.978 111 2HD1 LEU 15 HD12 LEU 15 13.337 6.809 2.120 112 3HD1 LEU 15 HD13 LEU 15 11.987 7.956 2.449 113 1HD2 LEU 15 HD21 LEU 15 11.431 5.048 4.892 114 2HD2 LEU 15 HD22 LEU 15 11.658 6.836 4.801 115 3HD2 LEU 15 HD23 LEU 15 13.021 5.723 4.416 116 H LYS 16 HN LYS 16 7.836 6.896 2.756 117 HA LYS 16 HA LYS 16 5.271 5.848 3.256 118 1HB LYS 16 HB2 LYS 16 6.095 8.536 2.015 119 2HB LYS 16 HB1 LYS 16 4.437 8.118 2.569 120 1HG LYS 16 HG2 LYS 16 5.250 7.778 4.885 121 2HG LYS 16 HG1 LYS 16 6.911 8.259 4.411 122 1HD LYS 16 HD2 LYS 16 4.392 10.033 4.127 123 2HD LYS 16 HD1 LYS 16 5.506 10.072 5.531 124 1HE LYS 16 HE2 LYS 16 6.305 10.770 2.616 125 2HE LYS 16 HE1 LYS 16 5.982 11.946 3.951 126 1HZ LYS 16 HZ1 LYS 16 8.099 9.907 3.957 127 2HZ LYS 16 HZ2 LYS 16 7.804 10.988 5.137 128 3HZ LYS 16 HZ3 LYS 16 8.304 11.498 3.676 129 H ASN 17 HN ASN 17 7.021 5.055 0.646 130 HA ASN 17 HA ASN 17 4.969 5.276 -1.362 131 1HB ASN 17 HB2 ASN 17 6.270 3.526 -2.587 132 2HB ASN 17 HB1 ASN 17 7.300 4.927 -2.137 133 1HD2 ASN 17 HD21 ASN 17 7.155 1.486 -2.077 134 2HD2 ASN 17 HD22 ASN 17 8.371 1.211 -0.887 135 H GLY 18 HN GLY 18 5.752 3.299 1.476 136 1HA GLY 18 HA2 GLY 18 3.794 1.270 0.701 137 2HA GLY 18 HA1 GLY 18 4.897 1.331 2.130 138 H LEU 19 HN LEU 19 3.004 4.145 1.150 139 HA LEU 19 HA LEU 19 1.209 3.699 3.425 140 1HB LEU 19 HB2 LEU 19 2.907 5.611 3.706 141 2HB LEU 19 HB1 LEU 19 2.099 6.443 2.346 142 HG LEU 19 HG LEU 19 1.502 7.256 4.623 143 1HD1 LEU 19 HD11 LEU 19 -0.891 7.559 4.300 144 2HD1 LEU 19 HD12 LEU 19 -0.997 6.116 3.241 145 3HD1 LEU 19 HD13 LEU 19 -0.084 7.566 2.688 146 1HD2 LEU 19 HD21 LEU 19 0.015 4.590 5.080 147 2HD2 LEU 19 HD22 LEU 19 0.066 6.012 6.181 148 3HD2 LEU 19 HD23 LEU 19 1.570 5.070 5.859 149 H CYS 20 HN CYS 20 -0.565 2.923 2.456 150 HA CYS 20 HA CYS 20 -1.477 4.024 -0.087 151 1HB CYS 20 HB2 CYS 20 -2.543 1.795 1.757 152 2HB CYS 20 HB1 CYS 20 -3.321 2.291 0.220 153 H CYS 21 HN CYS 21 -3.559 5.144 -0.158 154 HA CYS 21 HA CYS 21 -4.085 6.628 2.204 155 1HB CYS 21 HB2 CYS 21 -5.555 6.362 -0.461 156 2HB CYS 21 HB1 CYS 21 -6.327 7.204 0.919 157 H SER 22 HN SER 22 -5.479 3.626 0.893 158 HA SER 22 HA SER 22 -7.462 3.508 2.984 159 1HB SER 22 HB2 SER 22 -7.966 1.243 1.852 160 2HB SER 22 HB1 SER 22 -8.191 2.702 0.835 161 HG SER 22 HG SER 22 -6.267 0.685 0.750 162 H GLY 23 HN GLY 23 -4.191 3.250 3.177 163 1HA GLY 23 HA2 GLY 23 -3.207 2.680 5.046 164 2HA GLY 23 HA1 GLY 23 -4.571 1.601 5.510 165 H ALA 24 HN ALA 24 -4.743 -0.401 3.873 166 HA ALA 24 HA ALA 24 -2.324 -1.691 4.711 167 1HB ALA 24 HB1 ALA 24 -3.452 -3.825 4.222 168 2HB ALA 24 HB2 ALA 24 -4.772 -2.954 3.359 169 3HB ALA 24 HB3 ALA 24 -4.562 -2.745 5.134 170 H CYS 25 HN CYS 25 -0.627 -1.179 3.344 171 HA CYS 25 HA CYS 25 -0.762 -1.799 0.539 172 1HB CYS 25 HB2 CYS 25 0.729 0.079 1.421 173 2HB CYS 25 HB1 CYS 25 1.624 -1.123 2.376 174 H VAL 26 HN VAL 26 -0.647 -3.872 -0.139 175 HA VAL 26 HA VAL 26 1.322 -5.606 1.161 176 HB VAL 26 HB VAL 26 -0.901 -6.526 1.611 177 1HG1 VAL 26 HG11 VAL 26 -1.436 -6.547 -1.434 178 2HG1 VAL 26 HG12 VAL 26 -2.211 -5.494 -0.197 179 3HG1 VAL 26 HG13 VAL 26 -2.447 -7.272 -0.142 180 1HG2 VAL 26 HG21 VAL 26 0.707 -8.211 -0.420 181 2HG2 VAL 26 HG22 VAL 26 -0.567 -8.804 0.702 182 3HG2 VAL 26 HG23 VAL 26 0.944 -8.085 1.360 183 H GLY 27 HN GLY 27 0.598 -6.964 -1.844 184 1HA GLY 27 HA2 GLY 27 2.573 -5.292 -3.128 185 2HA GLY 27 HA1 GLY 27 1.659 -6.689 -3.812 186 H VAL 28 HN VAL 28 -0.486 -4.564 -2.371 187 HA VAL 28 HA VAL 28 -0.866 -2.796 -4.496 188 HB VAL 28 HB VAL 28 -3.317 -3.307 -4.818 189 1HG1 VAL 28 HG11 VAL 28 -1.425 -5.513 -5.863 190 2HG1 VAL 28 HG12 VAL 28 -1.635 -3.868 -6.570 191 3HG1 VAL 28 HG13 VAL 28 -3.014 -5.025 -6.563 192 1HG2 VAL 28 HG21 VAL 28 -3.673 -4.776 -2.807 193 2HG2 VAL 28 HG22 VAL 28 -2.616 -6.043 -3.542 194 3HG2 VAL 28 HG23 VAL 28 -4.177 -5.597 -4.321 195 H CYS 29 HN CYS 29 -2.556 -1.297 -3.712 196 HA CYS 29 HA CYS 29 -2.600 -1.180 -0.794 197 1HB CYS 29 HB2 CYS 29 -3.787 0.559 -3.053 198 2HB CYS 29 HB1 CYS 29 -4.025 0.929 -1.317 199 H ALA 30 HN ALA 30 -4.241 -2.139 0.342 200 HA ALA 30 HA ALA 30 -6.878 -2.216 -0.969 201 1HB ALA 30 HB1 ALA 30 -7.323 -4.451 0.092 202 2HB ALA 30 HB2 ALA 30 -5.637 -4.468 0.761 203 3HB ALA 30 HB3 ALA 30 -5.923 -4.578 -1.012 204 H ASP 31 HN ASP 31 -7.791 -3.466 1.705 205 HA ASP 31 HA ASP 31 -6.821 -1.808 3.721 206 1HB ASP 31 HB2 ASP 31 -9.249 -1.270 4.496 207 2HB ASP 31 HB1 ASP 31 -8.604 -0.195 3.226 208 H LEU 32 HN LEU 32 -7.591 -3.139 5.721 209 HA LEU 32 HA LEU 32 -9.282 -5.220 5.453 210 1HB LEU 32 HB2 LEU 32 -7.538 -7.056 6.125 211 2HB LEU 32 HB1 LEU 32 -7.702 -6.671 4.388 212 HG LEU 32 HG LEU 32 -5.668 -5.215 4.494 213 1HD1 LEU 32 HD11 LEU 32 -5.397 -4.678 6.885 214 2HD1 LEU 32 HD12 LEU 32 -3.992 -5.655 6.353 215 3HD1 LEU 32 HD13 LEU 32 -5.303 -6.431 7.315 216 1HD2 LEU 32 HD21 LEU 32 -4.073 -7.103 4.396 217 2HD2 LEU 32 HD22 LEU 32 -5.630 -7.536 3.612 218 3HD2 LEU 32 HD23 LEU 32 -5.245 -8.171 5.259 219 1HN NH2 33 H1 NH2 33 -8.845 -6.191 7.928 220 2HN NH2 33 H2 NH2 33 -8.386 -4.949 9.049 Start of MODEL 12 1 1H ASP 1 HT1 ASP 1 -3.402 15.092 1.185 2 2H ASP 1 HT2 ASP 1 -2.339 15.962 0.323 3 3H ASP 1 HT3 ASP 1 -2.495 16.226 1.937 4 HA ASP 1 HA ASP 1 -0.536 15.024 1.724 5 1HB ASP 1 HB2 ASP 1 -2.812 12.936 2.117 6 2HB ASP 1 HB1 ASP 1 -1.080 12.620 2.495 7 H ASP 2 HN ASP 2 -0.423 12.134 0.682 8 HA ASP 2 HA ASP 2 -1.399 12.165 -1.910 9 1HB ASP 2 HB2 ASP 2 0.859 13.540 -2.158 10 2HB ASP 2 HB1 ASP 2 1.689 12.104 -1.472 11 H CYS 3 HN CYS 3 -0.570 9.608 -2.496 12 HA CYS 3 HA CYS 3 0.350 8.152 -0.349 13 1HB CYS 3 HB2 CYS 3 -1.789 6.800 -0.005 14 2HB CYS 3 HB1 CYS 3 -1.925 8.444 0.679 15 H ILE 4 HN ILE 4 -0.198 5.756 -1.252 16 HA ILE 4 HA ILE 4 -0.239 5.888 -4.174 17 HB ILE 4 HB ILE 4 0.262 3.497 -2.349 18 1HG1 ILE 4 HG12 ILE 4 2.207 5.392 -3.809 19 2HG1 ILE 4 HG11 ILE 4 2.037 5.169 -2.036 20 1HG2 ILE 4 HG21 ILE 4 1.062 2.448 -4.507 21 2HG2 ILE 4 HG22 ILE 4 0.593 3.932 -5.411 22 3HG2 ILE 4 HG23 ILE 4 -0.656 2.893 -4.618 23 1HD1 ILE 4 HD11 ILE 4 3.084 3.038 -4.009 24 2HD1 ILE 4 HD12 ILE 4 2.821 2.798 -2.239 25 3HD1 ILE 4 HD13 ILE 4 4.025 4.005 -2.823 26 H LYS 5 HN LYS 5 -1.957 4.625 -5.211 27 HA LYS 5 HA LYS 5 -4.305 5.617 -3.935 28 1HB LYS 5 HB2 LYS 5 -3.603 6.184 -6.304 29 2HB LYS 5 HB1 LYS 5 -3.872 4.470 -6.768 30 1HG LYS 5 HG2 LYS 5 -6.285 4.682 -6.256 31 2HG LYS 5 HG1 LYS 5 -6.049 6.364 -5.670 32 1HD LYS 5 HD2 LYS 5 -5.498 5.363 -8.540 33 2HD LYS 5 HD1 LYS 5 -7.024 6.138 -8.013 34 1HE LYS 5 HE2 LYS 5 -4.237 7.505 -7.984 35 2HE LYS 5 HE1 LYS 5 -5.536 7.753 -9.213 36 1HZ LYS 5 HZ1 LYS 5 -5.747 8.378 -6.348 37 2HZ LYS 5 HZ2 LYS 5 -6.921 8.586 -7.454 38 3HZ LYS 5 HZ3 LYS 5 -5.543 9.443 -7.557 39 HA HYP 6 HA HYP 6 -5.546 1.593 -2.794 40 1HB HYP 6 HB1 HYP 6 -7.806 1.595 -1.961 41 2HB HYP 6 HB2 HYP 6 -8.421 2.403 -3.451 42 1HD HYP 6 HD1 HYP 6 -7.298 4.735 -4.075 43 2HD HYP 6 HD2 HYP 6 -6.068 5.347 -2.888 44 HOD HYP 6 HOD HYP 6 -6.518 2.799 -0.696 45 HG HYP 6 HG HYP 6 -8.315 4.289 -1.845 46 H TYR 7 HN TYR 7 -5.594 -0.380 -3.825 47 HA TYR 7 HA TYR 7 -5.720 -1.866 -5.283 48 1HB TYR 7 HB2 TYR 7 -7.816 -0.372 -6.917 49 2HB TYR 7 HB1 TYR 7 -7.472 -2.145 -6.927 50 HD1 TYR 7 HD1 TYR 7 -9.903 -0.047 -5.977 51 HD2 TYR 7 HD2 TYR 7 -7.284 -2.870 -4.051 52 HE1 TYR 7 HE1 TYR 7 -11.493 -0.252 -4.105 53 HE2 TYR 7 HE2 TYR 7 -8.844 -3.049 -2.177 54 HH TYR 7 HH TYR 7 -10.732 -2.134 -1.173 55 H GLY 8 HN GLY 8 -4.142 0.828 -5.678 56 1HA GLY 8 HA2 GLY 8 -3.104 0.146 -8.331 57 2HA GLY 8 HA1 GLY 8 -2.659 1.527 -7.233 58 H PHE 9 HN PHE 9 -0.554 -0.111 -8.233 59 HA PHE 9 HA PHE 9 -0.050 -2.178 -6.292 60 1HB PHE 9 HB2 PHE 9 1.698 -1.081 -8.588 61 2HB PHE 9 HB1 PHE 9 2.180 -2.423 -7.487 62 HD1 PHE 9 HD1 PHE 9 0.191 -1.555 -10.434 63 HD2 PHE 9 HD2 PHE 9 0.809 -4.504 -7.363 64 HE1 PHE 9 HE1 PHE 9 -1.039 -3.226 -11.785 65 HE2 PHE 9 HE2 PHE 9 -0.405 -6.172 -8.724 66 HZ PHE 9 HZ PHE 9 -1.338 -5.537 -10.932 67 H CYS 10 HN CYS 10 1.648 -2.159 -4.746 68 HA CYS 10 HA CYS 10 3.138 0.315 -4.416 69 1HB CYS 10 HB2 CYS 10 2.835 0.206 -1.896 70 2HB CYS 10 HB1 CYS 10 1.345 0.638 -2.770 71 H SER 11 HN SER 11 4.434 -0.968 -1.958 72 HA SER 11 HA SER 11 5.210 -3.522 -2.490 73 1HB SER 11 HB2 SER 11 7.679 -2.899 -3.124 74 2HB SER 11 HB1 SER 11 6.493 -2.722 -4.469 75 HG SER 11 HG SER 11 6.311 -0.460 -3.346 76 H LEU 12 HN LEU 12 7.600 -3.355 -0.870 77 HA LEU 12 HA LEU 12 7.459 -1.261 0.910 78 1HB LEU 12 HB2 LEU 12 7.064 -2.727 2.944 79 2HB LEU 12 HB1 LEU 12 5.577 -2.452 2.007 80 HG LEU 12 HG LEU 12 7.234 -4.994 1.542 81 1HD1 LEU 12 HD11 LEU 12 6.950 -4.817 4.006 82 2HD1 LEU 12 HD12 LEU 12 5.961 -6.154 3.318 83 3HD1 LEU 12 HD13 LEU 12 5.168 -4.604 3.796 84 1HD2 LEU 12 HD21 LEU 12 4.969 -5.998 1.073 85 2HD2 LEU 12 HD22 LEU 12 5.337 -4.645 -0.041 86 3HD2 LEU 12 HD23 LEU 12 4.207 -4.386 1.337 87 HA PRO 13 HA PRO 13 8.973 -2.133 3.471 88 1HB PRO 13 HB2 PRO 13 11.893 -1.277 3.114 89 2HB PRO 13 HB1 PRO 13 11.071 -1.924 4.583 90 1HG PRO 13 HG1 PRO 13 12.660 -3.549 3.064 91 2HG PRO 13 HG2 PRO 13 11.057 -4.167 3.652 92 1HD PRO 13 HD1 PRO 13 11.713 -3.010 0.871 93 2HD PRO 13 HD2 PRO 13 10.793 -4.520 1.300 94 H ILE 14 HN ILE 14 11.285 -0.191 1.427 95 HA ILE 14 HA ILE 14 9.217 1.734 0.985 96 HB ILE 14 HB ILE 14 11.111 3.518 1.013 97 1HG1 ILE 14 HG12 ILE 14 12.299 1.569 3.106 98 2HG1 ILE 14 HG11 ILE 14 12.997 1.877 1.481 99 1HG2 ILE 14 HG21 ILE 14 9.076 3.516 2.469 100 2HG2 ILE 14 HG22 ILE 14 10.506 4.159 3.346 101 3HG2 ILE 14 HG23 ILE 14 9.927 2.482 3.673 102 1HD1 ILE 14 HD11 ILE 14 12.701 3.956 3.745 103 2HD1 ILE 14 HD12 ILE 14 13.305 4.309 2.078 104 3HD1 ILE 14 HD13 ILE 14 14.217 3.189 3.154 105 H LEU 15 HN LEU 15 9.323 2.066 -1.201 106 HA LEU 15 HA LEU 15 11.495 1.674 -2.854 107 1HB LEU 15 HB2 LEU 15 9.370 -0.583 -2.727 108 2HB LEU 15 HB1 LEU 15 10.183 -0.155 -4.279 109 HG LEU 15 HG LEU 15 11.562 -1.221 -1.750 110 1HD1 LEU 15 HD11 LEU 15 10.857 -2.660 -4.372 111 2HD1 LEU 15 HD12 LEU 15 10.122 -2.930 -2.744 112 3HD1 LEU 15 HD13 LEU 15 11.855 -3.325 -3.023 113 1HD2 LEU 15 HD21 LEU 15 13.551 -1.554 -3.275 114 2HD2 LEU 15 HD22 LEU 15 13.156 0.175 -2.995 115 3HD2 LEU 15 HD23 LEU 15 12.701 -0.613 -4.557 116 H LYS 16 HN LYS 16 8.160 0.670 -3.655 117 HA LYS 16 HA LYS 16 7.352 3.506 -3.833 118 1HB LYS 16 HB2 LYS 16 5.972 1.034 -5.078 119 2HB LYS 16 HB1 LYS 16 5.498 2.758 -5.251 120 1HG LYS 16 HG2 LYS 16 7.686 3.148 -6.504 121 2HG LYS 16 HG1 LYS 16 8.081 1.411 -6.278 122 1HD LYS 16 HD2 LYS 16 7.229 1.657 -8.522 123 2HD LYS 16 HD1 LYS 16 6.027 0.754 -7.547 124 1HE LYS 16 HE2 LYS 16 4.859 2.363 -9.010 125 2HE LYS 16 HE1 LYS 16 4.667 2.920 -7.304 126 1HZ LYS 16 HZ1 LYS 16 6.625 3.945 -9.246 127 2HZ LYS 16 HZ2 LYS 16 6.465 4.454 -7.711 128 3HZ LYS 16 HZ3 LYS 16 5.259 4.689 -8.776 129 H ASN 17 HN ASN 17 6.631 3.837 -1.577 130 HA ASN 17 HA ASN 17 4.497 2.275 -0.725 131 1HB ASN 17 HB2 ASN 17 6.571 0.862 0.129 132 2HB ASN 17 HB1 ASN 17 7.024 2.314 1.094 133 1HD2 ASN 17 HD22 ASN 17 6.740 0.449 2.812 134 2HD2 ASN 17 HD21 ASN 17 5.150 0.294 3.506 135 H GLY 18 HN GLY 18 4.187 3.577 1.622 136 1HA GLY 18 HA2 GLY 18 5.493 5.793 2.284 137 2HA GLY 18 HA1 GLY 18 4.403 6.355 0.927 138 H LEU 19 HN LEU 19 2.090 5.873 1.054 139 HA LEU 19 HA LEU 19 1.146 4.615 3.434 140 1HB LEU 19 HB2 LEU 19 0.021 7.275 2.267 141 2HB LEU 19 HB1 LEU 19 -0.836 6.237 3.457 142 HG LEU 19 HG LEU 19 1.803 7.747 3.944 143 1HD1 LEU 19 HD11 LEU 19 -1.042 8.436 4.925 144 2HD1 LEU 19 HD12 LEU 19 -0.153 9.280 3.597 145 3HD1 LEU 19 HD13 LEU 19 0.478 9.341 5.285 146 1HD2 LEU 19 HD21 LEU 19 1.422 7.241 6.369 147 2HD2 LEU 19 HD22 LEU 19 1.651 5.744 5.407 148 3HD2 LEU 19 HD23 LEU 19 -0.003 6.223 5.939 149 H CYS 20 HN CYS 20 -0.634 3.392 2.581 150 HA CYS 20 HA CYS 20 -1.433 3.934 -0.187 151 1HB CYS 20 HB2 CYS 20 -2.120 1.692 1.823 152 2HB CYS 20 HB1 CYS 20 -3.058 1.981 0.334 153 H CYS 21 HN CYS 21 -3.587 4.986 -0.281 154 HA CYS 21 HA CYS 21 -4.074 6.555 2.006 155 1HB CYS 21 HB2 CYS 21 -5.561 6.150 -0.610 156 2HB CYS 21 HB1 CYS 21 -6.491 6.842 0.746 157 H SER 22 HN SER 22 -5.503 3.495 0.938 158 HA SER 22 HA SER 22 -7.458 3.516 3.042 159 1HB SER 22 HB2 SER 22 -7.913 1.172 1.986 160 2HB SER 22 HB1 SER 22 -8.206 2.616 0.957 161 HG SER 22 HG SER 22 -6.221 0.664 0.847 162 H GLY 23 HN GLY 23 -4.217 3.292 3.293 163 1HA GLY 23 HA2 GLY 23 -3.344 2.844 5.284 164 2HA GLY 23 HA1 GLY 23 -4.580 1.576 5.617 165 H ALA 24 HN ALA 24 -4.446 -0.330 3.900 166 HA ALA 24 HA ALA 24 -1.836 -1.309 4.669 167 1HB ALA 24 HB1 ALA 24 -2.704 -3.568 4.022 168 2HB ALA 24 HB2 ALA 24 -4.205 -2.795 3.382 169 3HB ALA 24 HB3 ALA 24 -3.829 -2.723 5.144 170 H CYS 25 HN CYS 25 -0.237 -2.134 3.328 171 HA CYS 25 HA CYS 25 -0.664 -1.960 0.436 172 1HB CYS 25 HB2 CYS 25 1.303 -0.489 1.150 173 2HB CYS 25 HB1 CYS 25 1.956 -1.858 2.095 174 H VAL 26 HN VAL 26 -0.719 -4.070 -0.390 175 HA VAL 26 HA VAL 26 0.605 -6.165 1.144 176 HB VAL 26 HB VAL 26 -1.731 -6.079 1.949 177 1HG1 VAL 26 HG11 VAL 26 -3.649 -6.530 0.485 178 2HG1 VAL 26 HG12 VAL 26 -2.593 -6.601 -0.972 179 3HG1 VAL 26 HG13 VAL 26 -2.803 -5.048 -0.078 180 1HG2 VAL 26 HG21 VAL 26 -1.131 -8.557 0.212 181 2HG2 VAL 26 HG22 VAL 26 -2.267 -8.471 1.604 182 3HG2 VAL 26 HG23 VAL 26 -0.501 -8.232 1.870 183 H GLY 27 HN GLY 27 1.433 -4.556 -1.039 184 1HA GLY 27 HA2 GLY 27 2.569 -5.152 -2.939 185 2HA GLY 27 HA1 GLY 27 1.444 -6.545 -3.215 186 H VAL 28 HN VAL 28 -1.016 -5.381 -2.921 187 HA VAL 28 HA VAL 28 -1.031 -3.036 -4.704 188 HB VAL 28 HB VAL 28 -3.459 -3.319 -4.946 189 1HG1 VAL 28 HG11 VAL 28 -1.793 -5.757 -5.865 190 2HG1 VAL 28 HG12 VAL 28 -1.875 -4.146 -6.675 191 3HG1 VAL 28 HG13 VAL 28 -3.343 -5.180 -6.584 192 1HG2 VAL 28 HG21 VAL 28 -4.502 -5.540 -4.332 193 2HG2 VAL 28 HG22 VAL 28 -4.011 -4.588 -2.891 194 3HG2 VAL 28 HG23 VAL 28 -3.014 -5.993 -3.432 195 H CYS 29 HN CYS 29 -2.455 -1.307 -3.863 196 HA CYS 29 HA CYS 29 -2.306 -1.130 -0.953 197 1HB CYS 29 HB2 CYS 29 -3.430 0.662 -3.179 198 2HB CYS 29 HB1 CYS 29 -3.717 1.032 -1.452 199 H ALA 30 HN ALA 30 -3.974 -1.724 0.406 200 HA ALA 30 HA ALA 30 -6.566 -2.314 -0.866 201 1HB ALA 30 HB1 ALA 30 -5.241 -4.506 -0.755 202 2HB ALA 30 HB2 ALA 30 -6.716 -4.522 0.257 203 3HB ALA 30 HB3 ALA 30 -5.096 -4.271 1.023 204 H ASP 31 HN ASP 31 -7.505 -3.500 1.706 205 HA ASP 31 HA ASP 31 -7.138 -1.501 3.663 206 1HB ASP 31 HB2 ASP 31 -9.715 -1.392 3.967 207 2HB ASP 31 HB1 ASP 31 -9.108 -0.400 2.608 208 H LEU 32 HN LEU 32 -7.967 -2.746 5.691 209 HA LEU 32 HA LEU 32 -9.055 -5.210 5.520 210 1HB LEU 32 HB2 LEU 32 -7.030 -6.459 6.610 211 2HB LEU 32 HB1 LEU 32 -7.032 -6.292 4.828 212 HG LEU 32 HG LEU 32 -5.470 -4.324 5.021 213 1HD1 LEU 32 HD11 LEU 32 -5.691 -3.626 7.384 214 2HD1 LEU 32 HD12 LEU 32 -4.010 -4.158 7.071 215 3HD1 LEU 32 HD13 LEU 32 -5.141 -5.248 7.951 216 1HD2 LEU 32 HD21 LEU 32 -3.448 -5.763 5.325 217 2HD2 LEU 32 HD22 LEU 32 -4.710 -6.528 4.299 218 3HD2 LEU 32 HD23 LEU 32 -4.491 -7.068 6.008 219 1HN NH2 33 H1 NH2 33 -8.720 -4.382 9.131 220 2HN NH2 33 H2 NH2 33 -8.654 -5.809 8.151 Start of MODEL 13 1 1H ASP 1 HT1 ASP 1 -0.293 8.872 -4.758 2 2H ASP 1 HT2 ASP 1 0.938 9.368 -5.700 3 3H ASP 1 HT3 ASP 1 -0.537 9.094 -6.367 4 HA ASP 1 HA ASP 1 -0.152 11.434 -6.157 5 1HB ASP 1 HB2 ASP 1 -2.065 10.436 -3.900 6 2HB ASP 1 HB1 ASP 1 -2.085 12.092 -4.634 7 H ASP 2 HN ASP 2 -0.761 12.141 -3.013 8 HA ASP 2 HA ASP 2 1.932 12.021 -2.051 9 1HB ASP 2 HB2 ASP 2 -0.757 12.368 -0.543 10 2HB ASP 2 HB1 ASP 2 0.868 12.539 0.213 11 H CYS 3 HN CYS 3 -1.127 10.180 -1.531 12 HA CYS 3 HA CYS 3 0.421 8.003 -0.346 13 1HB CYS 3 HB2 CYS 3 -1.843 6.999 0.132 14 2HB CYS 3 HB1 CYS 3 -1.474 8.509 0.999 15 H ILE 4 HN ILE 4 -0.327 5.780 -1.135 16 HA ILE 4 HA ILE 4 -0.321 5.817 -4.058 17 HB ILE 4 HB ILE 4 0.072 3.436 -2.213 18 1HG1 ILE 4 HG12 ILE 4 2.204 5.247 -3.522 19 2HG1 ILE 4 HG11 ILE 4 1.824 5.203 -1.774 20 1HG2 ILE 4 HG21 ILE 4 1.080 2.449 -4.312 21 2HG2 ILE 4 HG22 ILE 4 0.700 3.949 -5.215 22 3HG2 ILE 4 HG23 ILE 4 -0.625 2.893 -4.573 23 1HD1 ILE 4 HD11 ILE 4 3.009 2.890 -3.428 24 2HD1 ILE 4 HD12 ILE 4 2.477 2.765 -1.702 25 3HD1 ILE 4 HD13 ILE 4 3.822 3.871 -2.160 26 H LYS 5 HN LYS 5 -1.944 4.602 -5.195 27 HA LYS 5 HA LYS 5 -4.416 5.518 -4.333 28 1HB LYS 5 HB2 LYS 5 -3.531 5.499 -6.710 29 2HB LYS 5 HB1 LYS 5 -3.589 3.701 -6.687 30 1HG LYS 5 HG2 LYS 5 -6.105 3.832 -6.479 31 2HG LYS 5 HG1 LYS 5 -6.000 5.621 -6.624 32 1HD LYS 5 HD2 LYS 5 -4.914 5.357 -8.879 33 2HD LYS 5 HD1 LYS 5 -4.943 3.575 -8.684 34 1HE LYS 5 HE2 LYS 5 -7.468 5.366 -8.830 35 2HE LYS 5 HE1 LYS 5 -6.783 4.375 -10.184 36 1HZ LYS 5 HZ1 LYS 5 -8.523 3.244 -9.062 37 2HZ LYS 5 HZ2 LYS 5 -7.773 3.337 -7.617 38 3HZ LYS 5 HZ3 LYS 5 -7.131 2.442 -8.811 39 HA HYP 6 HA HYP 6 -5.885 1.629 -2.657 40 1HB HYP 6 HB1 HYP 6 -8.206 1.834 -2.052 41 2HB HYP 6 HB2 HYP 6 -8.629 2.549 -3.652 42 1HD HYP 6 HD1 HYP 6 -7.224 4.852 -4.277 43 2HD HYP 6 HD2 HYP 6 -6.090 5.371 -2.962 44 HOD HYP 6 HOD HYP 6 -7.021 3.015 -0.747 45 HG HYP 6 HG HYP 6 -8.572 4.554 -2.211 46 H TYR 7 HN TYR 7 -5.771 -0.376 -3.721 47 HA TYR 7 HA TYR 7 -5.530 -1.757 -5.268 48 1HB TYR 7 HB2 TYR 7 -7.932 -0.473 -6.681 49 2HB TYR 7 HB1 TYR 7 -7.196 -2.063 -7.122 50 HD1 TYR 7 HD1 TYR 7 -6.959 -3.828 -5.302 51 HD2 TYR 7 HD2 TYR 7 -9.474 -0.377 -4.811 52 HE1 TYR 7 HE1 TYR 7 -8.065 -4.913 -3.392 53 HE2 TYR 7 HE2 TYR 7 -10.579 -1.449 -2.888 54 HH TYR 7 HH TYR 7 -10.612 -3.284 -1.491 55 H GLY 8 HN GLY 8 -4.069 0.820 -5.373 56 1HA GLY 8 HA2 GLY 8 -3.025 0.470 -8.097 57 2HA GLY 8 HA1 GLY 8 -2.503 1.634 -6.791 58 H PHE 9 HN PHE 9 -0.510 0.016 -7.980 59 HA PHE 9 HA PHE 9 -0.062 -2.187 -6.128 60 1HB PHE 9 HB2 PHE 9 1.484 -1.149 -8.587 61 2HB PHE 9 HB1 PHE 9 2.204 -2.314 -7.424 62 HD1 PHE 9 HD1 PHE 9 1.698 -4.588 -7.479 63 HD2 PHE 9 HD2 PHE 9 -0.718 -1.868 -9.781 64 HE1 PHE 9 HE1 PHE 9 0.672 -6.497 -8.665 65 HE2 PHE 9 HE2 PHE 9 -1.781 -3.781 -10.918 66 HZ PHE 9 HZ PHE 9 -1.081 -6.100 -10.374 67 H CYS 10 HN CYS 10 1.837 -2.142 -4.700 68 HA CYS 10 HA CYS 10 3.075 0.461 -4.339 69 1HB CYS 10 HB2 CYS 10 2.617 0.358 -1.839 70 2HB CYS 10 HB1 CYS 10 1.162 0.689 -2.817 71 H SER 11 HN SER 11 5.219 0.120 -3.261 72 HA SER 11 HA SER 11 6.065 -2.311 -2.352 73 1HB SER 11 HB2 SER 11 7.750 -2.648 -4.416 74 2HB SER 11 HB1 SER 11 6.087 -3.304 -4.573 75 HG SER 11 HG SER 11 7.228 -1.026 -5.821 76 H LEU 12 HN LEU 12 8.878 -1.644 -2.908 77 HA LEU 12 HA LEU 12 8.917 1.145 -3.356 78 1HB LEU 12 HB2 LEU 12 10.990 1.407 -1.891 79 2HB LEU 12 HB1 LEU 12 9.443 1.349 -1.019 80 HG LEU 12 HG LEU 12 9.997 -1.239 -0.696 81 1HD1 LEU 12 HD11 LEU 12 12.123 -1.323 -2.032 82 2HD1 LEU 12 HD12 LEU 12 12.423 -1.661 -0.297 83 3HD1 LEU 12 HD13 LEU 12 12.841 -0.047 -0.985 84 1HD2 LEU 12 HD21 LEU 12 9.635 0.412 1.093 85 2HD2 LEU 12 HD22 LEU 12 11.321 1.028 0.915 86 3HD2 LEU 12 HD23 LEU 12 11.030 -0.655 1.499 87 HA PRO 13 HA PRO 13 10.282 2.206 -4.899 88 1HB PRO 13 HB2 PRO 13 10.832 1.093 -7.704 89 2HB PRO 13 HB1 PRO 13 11.428 2.649 -7.000 90 1HG PRO 13 HG1 PRO 13 13.130 0.532 -7.251 91 2HG PRO 13 HG2 PRO 13 13.116 1.460 -5.693 92 1HD PRO 13 HD1 PRO 13 11.612 -1.171 -6.306 93 2HD PRO 13 HD2 PRO 13 12.683 -0.774 -4.882 94 H ILE 14 HN ILE 14 8.677 3.233 -6.535 95 HA ILE 14 HA ILE 14 6.857 1.750 -7.882 96 HB ILE 14 HB ILE 14 5.811 1.072 -5.806 97 1HG1 ILE 14 HG12 ILE 14 3.648 2.249 -5.699 98 2HG1 ILE 14 HG11 ILE 14 4.239 3.545 -6.758 99 1HG2 ILE 14 HG21 ILE 14 6.158 3.971 -4.843 100 2HG2 ILE 14 HG22 ILE 14 7.051 2.518 -4.265 101 3HG2 ILE 14 HG23 ILE 14 5.288 2.657 -3.970 102 1HD1 ILE 14 HD11 ILE 14 4.508 1.857 -8.637 103 2HD1 ILE 14 HD12 ILE 14 2.836 1.812 -7.960 104 3HD1 ILE 14 HD13 ILE 14 4.024 0.542 -7.496 105 H LEU 15 HN LEU 15 5.292 3.914 -8.427 106 HA LEU 15 HA LEU 15 7.281 5.530 -9.587 107 1HB LEU 15 HB2 LEU 15 4.240 5.894 -9.553 108 2HB LEU 15 HB1 LEU 15 5.350 6.914 -10.529 109 HG LEU 15 HG LEU 15 5.165 3.858 -10.823 110 1HD1 LEU 15 HD11 LEU 15 2.960 4.826 -11.382 111 2HD1 LEU 15 HD12 LEU 15 3.808 4.275 -12.876 112 3HD1 LEU 15 HD13 LEU 15 3.740 6.032 -12.483 113 1HD2 LEU 15 HD21 LEU 15 6.259 4.250 -13.037 114 2HD2 LEU 15 HD22 LEU 15 7.308 4.779 -11.680 115 3HD2 LEU 15 HD23 LEU 15 6.417 6.004 -12.657 116 H LYS 16 HN LYS 16 5.148 6.083 -6.734 117 HA LYS 16 HA LYS 16 7.056 8.001 -5.934 118 1HB LYS 16 HB2 LYS 16 5.381 9.649 -6.795 119 2HB LYS 16 HB1 LYS 16 4.036 8.685 -6.111 120 1HG LYS 16 HG2 LYS 16 4.438 10.721 -4.785 121 2HG LYS 16 HG1 LYS 16 4.738 9.259 -3.796 122 1HD LYS 16 HD2 LYS 16 7.218 9.543 -4.144 123 2HD LYS 16 HD1 LYS 16 6.899 11.001 -5.147 124 1HE LYS 16 HE2 LYS 16 5.913 12.166 -3.155 125 2HE LYS 16 HE1 LYS 16 6.114 10.666 -2.162 126 1HZ LYS 16 HZ1 LYS 16 7.891 12.175 -1.811 127 2HZ LYS 16 HZ2 LYS 16 8.290 12.219 -3.387 128 3HZ LYS 16 HZ3 LYS 16 8.474 10.845 -2.541 129 H ASN 17 HN ASN 17 7.167 7.569 -3.642 130 HA ASN 17 HA ASN 17 5.717 5.148 -2.876 131 1HB ASN 17 HB2 ASN 17 8.272 4.982 -2.976 132 2HB ASN 17 HB1 ASN 17 8.362 6.336 -1.788 133 1HD2 ASN 17 HD22 ASN 17 6.761 3.032 -2.169 134 2HD2 ASN 17 HD21 ASN 17 6.936 2.609 -0.508 135 H GLY 18 HN GLY 18 4.918 5.128 -0.533 136 1HA GLY 18 HA2 GLY 18 4.888 7.177 1.144 137 2HA GLY 18 HA1 GLY 18 3.510 7.431 -0.052 138 H LEU 19 HN LEU 19 2.243 6.603 2.045 139 HA LEU 19 HA LEU 19 2.292 3.692 2.215 140 1HB LEU 19 HB2 LEU 19 2.336 5.104 4.341 141 2HB LEU 19 HB1 LEU 19 0.765 5.820 3.857 142 HG LEU 19 HG LEU 19 -0.371 3.665 4.168 143 1HD1 LEU 19 HD11 LEU 19 0.772 1.652 5.093 144 2HD1 LEU 19 HD12 LEU 19 2.376 2.463 4.931 145 3HD1 LEU 19 HD13 LEU 19 1.415 2.046 3.463 146 1HD2 LEU 19 HD21 LEU 19 1.444 4.293 6.573 147 2HD2 LEU 19 HD22 LEU 19 -0.145 3.439 6.608 148 3HD2 LEU 19 HD23 LEU 19 -0.065 5.174 6.128 149 H CYS 20 HN CYS 20 -0.250 2.929 2.277 150 HA CYS 20 HA CYS 20 -1.311 3.888 -0.251 151 1HB CYS 20 HB2 CYS 20 -2.195 1.675 1.680 152 2HB CYS 20 HB1 CYS 20 -3.083 2.101 0.194 153 H CYS 21 HN CYS 21 -3.443 4.877 -0.440 154 HA CYS 21 HA CYS 21 -3.887 6.663 1.655 155 1HB CYS 21 HB2 CYS 21 -6.034 5.985 -0.416 156 2HB CYS 21 HB1 CYS 21 -5.848 7.498 0.501 157 H SER 22 HN SER 22 -5.627 3.616 0.806 158 HA SER 22 HA SER 22 -7.277 3.846 3.151 159 1HB SER 22 HB2 SER 22 -8.120 1.565 2.229 160 2HB SER 22 HB1 SER 22 -8.403 3.033 1.235 161 HG SER 22 HG SER 22 -6.582 0.918 0.874 162 H GLY 23 HN GLY 23 -4.105 3.459 3.160 163 1HA GLY 23 HA2 GLY 23 -3.048 2.924 4.989 164 2HA GLY 23 HA1 GLY 23 -4.389 1.841 5.532 165 H ALA 24 HN ALA 24 -4.606 -0.179 3.887 166 HA ALA 24 HA ALA 24 -2.103 -1.421 4.596 167 1HB ALA 24 HB1 ALA 24 -4.278 -2.614 5.000 168 2HB ALA 24 HB2 ALA 24 -3.138 -3.578 4.001 169 3HB ALA 24 HB3 ALA 24 -4.521 -2.722 3.221 170 H CYS 25 HN CYS 25 -0.558 -2.453 3.204 171 HA CYS 25 HA CYS 25 -0.887 -2.083 0.346 172 1HB CYS 25 HB2 CYS 25 0.918 -0.421 1.113 173 2HB CYS 25 HB1 CYS 25 1.651 -1.704 2.112 174 H VAL 26 HN VAL 26 -0.625 -4.211 -0.480 175 HA VAL 26 HA VAL 26 1.084 -6.011 1.003 176 HB VAL 26 HB VAL 26 -1.084 -6.412 2.051 177 1HG1 VAL 26 HG11 VAL 26 -2.597 -5.534 0.279 178 2HG1 VAL 26 HG12 VAL 26 -3.056 -7.201 0.765 179 3HG1 VAL 26 HG13 VAL 26 -2.197 -6.929 -0.793 180 1HG2 VAL 26 HG21 VAL 26 0.481 -8.329 1.669 181 2HG2 VAL 26 HG22 VAL 26 -0.386 -8.726 0.135 182 3HG2 VAL 26 HG23 VAL 26 -1.250 -8.823 1.711 183 H GLY 27 HN GLY 27 1.707 -4.494 -1.185 184 1HA GLY 27 HA2 GLY 27 2.709 -4.990 -3.142 185 2HA GLY 27 HA1 GLY 27 1.682 -6.464 -3.353 186 H VAL 28 HN VAL 28 -0.847 -5.460 -2.900 187 HA VAL 28 HA VAL 28 -1.148 -3.151 -4.689 188 HB VAL 28 HB VAL 28 -3.560 -3.748 -4.853 189 1HG1 VAL 28 HG11 VAL 28 -1.938 -4.293 -6.664 190 2HG1 VAL 28 HG12 VAL 28 -3.203 -5.573 -6.541 191 3HG1 VAL 28 HG13 VAL 28 -1.548 -5.865 -5.881 192 1HG2 VAL 28 HG21 VAL 28 -4.299 -6.052 -4.236 193 2HG2 VAL 28 HG22 VAL 28 -3.731 -5.183 -2.771 194 3HG2 VAL 28 HG23 VAL 28 -2.681 -6.433 -3.549 195 H CYS 29 HN CYS 29 -2.585 -1.513 -3.787 196 HA CYS 29 HA CYS 29 -2.504 -1.449 -0.876 197 1HB CYS 29 HB2 CYS 29 -3.820 0.398 -2.946 198 2HB CYS 29 HB1 CYS 29 -3.836 0.706 -1.180 199 H ALA 30 HN ALA 30 -4.342 -1.698 0.476 200 HA ALA 30 HA ALA 30 -6.929 -1.995 -0.799 201 1HB ALA 30 HB1 ALA 30 -6.068 -4.393 -0.797 202 2HB ALA 30 HB2 ALA 30 -7.474 -4.171 0.292 203 3HB ALA 30 HB3 ALA 30 -5.795 -4.267 0.977 204 H ASP 31 HN ASP 31 -7.516 -3.305 2.097 205 HA ASP 31 HA ASP 31 -6.739 -1.203 3.806 206 1HB ASP 31 HB2 ASP 31 -9.078 -0.924 4.770 207 2HB ASP 31 HB1 ASP 31 -8.919 -0.176 3.153 208 H LEU 32 HN LEU 32 -7.656 -2.266 6.071 209 HA LEU 32 HA LEU 32 -8.278 -4.979 5.863 210 1HB LEU 32 HB2 LEU 32 -5.856 -3.923 7.508 211 2HB LEU 32 HB1 LEU 32 -6.642 -5.509 7.798 212 HG LEU 32 HG LEU 32 -5.157 -4.704 5.226 213 1HD1 LEU 32 HD11 LEU 32 -3.594 -4.831 7.137 214 2HD1 LEU 32 HD12 LEU 32 -3.334 -6.232 6.036 215 3HD1 LEU 32 HD13 LEU 32 -4.226 -6.458 7.584 216 1HD2 LEU 32 HD21 LEU 32 -6.853 -6.427 4.727 217 2HD2 LEU 32 HD22 LEU 32 -6.244 -7.460 6.080 218 3HD2 LEU 32 HD23 LEU 32 -5.205 -7.125 4.643 219 1HN NH2 33 H1 NH2 33 -9.760 -3.724 8.983 220 2HN NH2 33 H2 NH2 33 -9.174 -5.199 8.299 Start of MODEL 14 1 1H ASP 1 HT1 ASP 1 -1.569 10.489 -5.190 2 2H ASP 1 HT2 ASP 1 -0.593 9.311 -4.659 3 3H ASP 1 HT3 ASP 1 -0.589 9.721 -6.253 4 HA ASP 1 HA ASP 1 1.340 10.610 -5.064 5 1HB ASP 1 HB2 ASP 1 -0.757 12.721 -5.976 6 2HB ASP 1 HB1 ASP 1 0.950 13.134 -5.578 7 H ASP 2 HN ASP 2 2.019 11.798 -3.115 8 HA ASP 2 HA ASP 2 1.943 12.208 -0.996 9 1HB ASP 2 HB2 ASP 2 -1.134 12.321 -0.993 10 2HB ASP 2 HB1 ASP 2 -0.051 12.735 0.376 11 H CYS 3 HN CYS 3 -0.944 10.173 -1.661 12 HA CYS 3 HA CYS 3 0.453 7.958 -0.313 13 1HB CYS 3 HB2 CYS 3 -1.824 6.954 0.110 14 2HB CYS 3 HB1 CYS 3 -1.431 8.389 1.083 15 H ILE 4 HN ILE 4 -0.317 5.846 -1.177 16 HA ILE 4 HA ILE 4 -0.226 5.929 -4.082 17 HB ILE 4 HB ILE 4 0.136 3.570 -2.168 18 1HG1 ILE 4 HG12 ILE 4 2.308 5.320 -3.492 19 2HG1 ILE 4 HG11 ILE 4 1.873 5.356 -1.753 20 1HG2 ILE 4 HG21 ILE 4 -0.485 2.878 -4.489 21 2HG2 ILE 4 HG22 ILE 4 1.239 2.534 -4.221 22 3HG2 ILE 4 HG23 ILE 4 0.775 3.970 -5.185 23 1HD1 ILE 4 HD11 ILE 4 3.115 2.959 -3.236 24 2HD1 ILE 4 HD12 ILE 4 2.515 2.930 -1.528 25 3HD1 ILE 4 HD13 ILE 4 3.871 4.019 -1.996 26 H LYS 5 HN LYS 5 -1.847 4.533 -5.231 27 HA LYS 5 HA LYS 5 -4.334 5.505 -4.322 28 1HB LYS 5 HB2 LYS 5 -3.493 5.562 -6.738 29 2HB LYS 5 HB1 LYS 5 -3.630 3.774 -6.776 30 1HG LYS 5 HG2 LYS 5 -6.171 4.089 -6.325 31 2HG LYS 5 HG1 LYS 5 -5.882 5.853 -6.491 32 1HD LYS 5 HD2 LYS 5 -6.741 5.072 -8.591 33 2HD LYS 5 HD1 LYS 5 -5.002 5.408 -8.853 34 1HE LYS 5 HE2 LYS 5 -5.599 3.320 -10.008 35 2HE LYS 5 HE1 LYS 5 -4.564 2.870 -8.596 36 1HZ LYS 5 HZ1 LYS 5 -7.503 2.763 -8.680 37 2HZ LYS 5 HZ2 LYS 5 -6.577 2.313 -7.422 38 3HZ LYS 5 HZ3 LYS 5 -6.501 1.489 -8.824 39 HA HYP 6 HA HYP 6 -5.672 1.518 -2.768 40 1HB HYP 6 HB1 HYP 6 -7.948 1.684 -1.986 41 2HB HYP 6 HB2 HYP 6 -8.472 2.524 -3.494 42 1HD HYP 6 HD1 HYP 6 -7.162 4.789 -4.106 43 2HD HYP 6 HD2 HYP 6 -5.910 5.287 -2.887 44 HOD HYP 6 HOD HYP 6 -6.613 2.813 -0.681 45 HG HYP 6 HG HYP 6 -8.271 4.405 -1.895 46 H TYR 7 HN TYR 7 -5.747 -0.428 -3.862 47 HA TYR 7 HA TYR 7 -5.787 -1.835 -5.423 48 1HB TYR 7 HB2 TYR 7 -7.960 -0.249 -6.898 49 2HB TYR 7 HB1 TYR 7 -7.471 -1.954 -7.230 50 HD1 TYR 7 HD1 TYR 7 -7.585 -3.622 -5.241 51 HD2 TYR 7 HD2 TYR 7 -9.608 0.168 -5.254 52 HE1 TYR 7 HE1 TYR 7 -9.059 -4.410 -3.422 53 HE2 TYR 7 HE2 TYR 7 -11.098 -0.616 -3.445 54 HH TYR 7 HH TYR 7 -10.694 -3.835 -1.940 55 H GLY 8 HN GLY 8 -4.051 0.613 -5.521 56 1HA GLY 8 HA2 GLY 8 -3.092 0.199 -8.273 57 2HA GLY 8 HA1 GLY 8 -2.660 1.544 -7.112 58 H PHE 9 HN PHE 9 -0.576 -0.091 -8.172 59 HA PHE 9 HA PHE 9 -0.046 -2.266 -6.397 60 1HB PHE 9 HB2 PHE 9 1.892 -0.733 -8.267 61 2HB PHE 9 HB1 PHE 9 2.240 -2.291 -7.434 62 HD1 PHE 9 HD1 PHE 9 0.442 -4.212 -7.865 63 HD2 PHE 9 HD2 PHE 9 1.226 -0.907 -10.509 64 HE1 PHE 9 HE1 PHE 9 -0.437 -5.520 -9.764 65 HE2 PHE 9 HE2 PHE 9 0.387 -2.240 -12.415 66 HZ PHE 9 HZ PHE 9 -0.457 -4.545 -12.044 67 H CYS 10 HN CYS 10 1.794 -2.255 -4.748 68 HA CYS 10 HA CYS 10 3.115 0.204 -4.410 69 1HB CYS 10 HB2 CYS 10 2.698 0.478 -1.973 70 2HB CYS 10 HB1 CYS 10 1.189 0.742 -2.896 71 H SER 11 HN SER 11 4.821 -0.414 -2.512 72 HA SER 11 HA SER 11 5.161 -3.012 -1.836 73 1HB SER 11 HB2 SER 11 7.442 -3.305 -3.053 74 2HB SER 11 HB1 SER 11 6.022 -3.462 -4.145 75 HG SER 11 HG SER 11 7.979 -1.456 -4.025 76 H LEU 12 HN LEU 12 7.693 -2.647 -0.801 77 HA LEU 12 HA LEU 12 8.394 0.078 -0.811 78 1HB LEU 12 HB2 LEU 12 9.393 -0.283 1.559 79 2HB LEU 12 HB1 LEU 12 7.693 0.255 1.489 80 HG LEU 12 HG LEU 12 8.292 -2.732 1.743 81 1HD1 LEU 12 HD11 LEU 12 8.364 -2.522 4.221 82 2HD1 LEU 12 HD12 LEU 12 8.363 -0.722 4.076 83 3HD1 LEU 12 HD13 LEU 12 9.754 -1.684 3.444 84 1HD2 LEU 12 HD21 LEU 12 6.165 -2.734 3.033 85 2HD2 LEU 12 HD22 LEU 12 5.887 -1.968 1.429 86 3HD2 LEU 12 HD23 LEU 12 6.050 -0.939 2.896 87 HA PRO 13 HA PRO 13 10.616 0.770 -1.073 88 1HB PRO 13 HB2 PRO 13 12.465 -0.242 -3.280 89 2HB PRO 13 HB1 PRO 13 12.850 0.927 -1.960 90 1HG PRO 13 HG1 PRO 13 13.824 -1.656 -1.952 91 2HG PRO 13 HG2 PRO 13 13.265 -0.876 -0.411 92 1HD PRO 13 HD1 PRO 13 11.667 -2.778 -2.242 93 2HD PRO 13 HD2 PRO 13 11.878 -2.863 -0.434 94 H ILE 14 HN ILE 14 10.270 2.246 -3.041 95 HA ILE 14 HA ILE 14 9.802 1.222 -5.496 96 HB ILE 14 HB ILE 14 7.560 0.620 -4.777 97 1HG1 ILE 14 HG12 ILE 14 7.260 3.293 -6.242 98 2HG1 ILE 14 HG11 ILE 14 7.874 1.769 -6.993 99 1HG2 ILE 14 HG21 ILE 14 7.457 3.398 -3.467 100 2HG2 ILE 14 HG22 ILE 14 7.414 1.769 -2.682 101 3HG2 ILE 14 HG23 ILE 14 6.026 2.321 -3.675 102 1HD1 ILE 14 HD11 ILE 14 5.759 0.582 -6.287 103 2HD1 ILE 14 HD12 ILE 14 5.472 1.924 -7.451 104 3HD1 ILE 14 HD13 ILE 14 5.092 2.150 -5.708 105 H LEU 15 HN LEU 15 9.630 3.492 -6.704 106 HA LEU 15 HA LEU 15 11.848 4.796 -5.547 107 1HB LEU 15 HB2 LEU 15 10.260 5.333 -8.126 108 2HB LEU 15 HB1 LEU 15 11.645 6.343 -7.609 109 HG LEU 15 HG LEU 15 13.162 4.396 -7.621 110 1HD1 LEU 15 HD11 LEU 15 11.691 2.448 -7.338 111 2HD1 LEU 15 HD12 LEU 15 12.567 2.316 -8.894 112 3HD1 LEU 15 HD13 LEU 15 10.833 2.807 -8.894 113 1HD2 LEU 15 HD21 LEU 15 11.759 4.897 -10.322 114 2HD2 LEU 15 HD22 LEU 15 13.444 4.314 -10.066 115 3HD2 LEU 15 HD23 LEU 15 12.982 5.973 -9.551 116 H LYS 16 HN LYS 16 8.388 5.614 -5.792 117 HA LYS 16 HA LYS 16 8.952 7.869 -4.063 118 1HB LYS 16 HB2 LYS 16 8.105 8.777 -6.348 119 2HB LYS 16 HB1 LYS 16 6.670 7.715 -6.163 120 1HG LYS 16 HG2 LYS 16 6.047 9.960 -5.519 121 2HG LYS 16 HG1 LYS 16 6.097 8.984 -4.010 122 1HD LYS 16 HD2 LYS 16 8.280 9.955 -3.394 123 2HD LYS 16 HD1 LYS 16 8.404 10.778 -4.988 124 1HE LYS 16 HE2 LYS 16 6.380 12.174 -4.422 125 2HE LYS 16 HE1 LYS 16 6.291 11.373 -2.799 126 1HZ LYS 16 HZ1 LYS 16 7.451 13.490 -2.822 127 2HZ LYS 16 HZ2 LYS 16 8.611 12.890 -3.790 128 3HZ LYS 16 HZ3 LYS 16 8.406 12.283 -2.297 129 H ASN 17 HN ASN 17 7.646 7.449 -2.189 130 HA ASN 17 HA ASN 17 6.068 5.018 -2.238 131 1HB ASN 17 HB2 ASN 17 8.478 4.458 -1.450 132 2HB ASN 17 HB1 ASN 17 8.314 5.757 -0.222 133 1HD2 ASN 17 HD22 ASN 17 6.532 2.740 -1.363 134 2HD2 ASN 17 HD21 ASN 17 6.011 2.284 0.221 135 H GLY 18 HN GLY 18 4.805 5.180 0.137 136 1HA GLY 18 HA2 GLY 18 4.619 7.473 1.479 137 2HA GLY 18 HA1 GLY 18 3.425 7.525 0.073 138 H LEU 19 HN LEU 19 1.919 7.031 2.198 139 HA LEU 19 HA LEU 19 1.909 4.183 2.805 140 1HB LEU 19 HB2 LEU 19 -0.161 6.397 3.394 141 2HB LEU 19 HB1 LEU 19 -0.221 4.736 4.059 142 HG LEU 19 HG LEU 19 1.995 6.789 4.652 143 1HD1 LEU 19 HD11 LEU 19 -0.462 5.979 6.332 144 2HD1 LEU 19 HD12 LEU 19 -0.194 7.560 5.510 145 3HD1 LEU 19 HD13 LEU 19 0.874 7.065 6.870 146 1HD2 LEU 19 HD21 LEU 19 2.795 4.441 4.942 147 2HD2 LEU 19 HD22 LEU 19 1.373 4.072 5.990 148 3HD2 LEU 19 HD23 LEU 19 2.615 5.260 6.531 149 H CYS 20 HN CYS 20 -0.542 3.278 2.511 150 HA CYS 20 HA CYS 20 -1.420 3.892 -0.230 151 1HB CYS 20 HB2 CYS 20 -2.234 1.771 1.857 152 2HB CYS 20 HB1 CYS 20 -3.166 2.061 0.359 153 H CYS 21 HN CYS 21 -3.583 4.910 -0.399 154 HA CYS 21 HA CYS 21 -3.986 6.697 1.722 155 1HB CYS 21 HB2 CYS 21 -6.126 6.062 -0.363 156 2HB CYS 21 HB1 CYS 21 -5.931 7.564 0.583 157 H SER 22 HN SER 22 -5.594 3.639 0.857 158 HA SER 22 HA SER 22 -7.360 3.721 3.119 159 1HB SER 22 HB2 SER 22 -7.998 1.420 2.133 160 2HB SER 22 HB1 SER 22 -8.271 2.835 1.073 161 HG SER 22 HG SER 22 -6.403 0.760 0.904 162 H GLY 23 HN GLY 23 -4.163 3.429 3.218 163 1HA GLY 23 HA2 GLY 23 -3.113 2.888 5.071 164 2HA GLY 23 HA1 GLY 23 -4.437 1.775 5.569 165 H ALA 24 HN ALA 24 -4.619 -0.182 3.885 166 HA ALA 24 HA ALA 24 -2.193 -1.453 4.774 167 1HB ALA 24 HB1 ALA 24 -4.427 -2.476 5.222 168 2HB ALA 24 HB2 ALA 24 -3.335 -3.597 4.338 169 3HB ALA 24 HB3 ALA 24 -4.654 -2.747 3.458 170 H CYS 25 HN CYS 25 -0.422 -1.790 3.517 171 HA CYS 25 HA CYS 25 -0.747 -1.984 0.619 172 1HB CYS 25 HB2 CYS 25 0.868 -0.218 1.517 173 2HB CYS 25 HB1 CYS 25 1.739 -1.505 2.394 174 H VAL 26 HN VAL 26 -0.585 -4.011 -0.203 175 HA VAL 26 HA VAL 26 1.327 -5.802 1.027 176 HB VAL 26 HB VAL 26 -0.859 -6.766 1.567 177 1HG1 VAL 26 HG11 VAL 26 -2.473 -7.508 -0.108 178 2HG1 VAL 26 HG12 VAL 26 -1.477 -6.877 -1.465 179 3HG1 VAL 26 HG13 VAL 26 -2.211 -5.736 -0.276 180 1HG2 VAL 26 HG21 VAL 26 -0.420 -9.016 0.791 181 2HG2 VAL 26 HG22 VAL 26 1.147 -8.193 1.101 182 3HG2 VAL 26 HG23 VAL 26 0.579 -8.453 -0.589 183 H GLY 27 HN GLY 27 0.592 -7.170 -1.943 184 1HA GLY 27 HA2 GLY 27 2.497 -5.494 -3.235 185 2HA GLY 27 HA1 GLY 27 1.516 -6.829 -3.951 186 H VAL 28 HN VAL 28 -0.626 -4.750 -2.502 187 HA VAL 28 HA VAL 28 -0.887 -2.868 -4.575 188 HB VAL 28 HB VAL 28 -3.312 -3.274 -4.989 189 1HG1 VAL 28 HG11 VAL 28 -1.487 -5.606 -5.873 190 2HG1 VAL 28 HG12 VAL 28 -1.649 -4.001 -6.680 191 3HG1 VAL 28 HG13 VAL 28 -3.049 -5.138 -6.641 192 1HG2 VAL 28 HG21 VAL 28 -2.819 -5.941 -3.495 193 2HG2 VAL 28 HG22 VAL 28 -4.264 -5.591 -4.504 194 3HG2 VAL 28 HG23 VAL 28 -3.955 -4.613 -3.033 195 H CYS 29 HN CYS 29 -2.535 -1.327 -3.729 196 HA CYS 29 HA CYS 29 -2.491 -1.253 -0.817 197 1HB CYS 29 HB2 CYS 29 -3.669 0.559 -2.998 198 2HB CYS 29 HB1 CYS 29 -3.873 0.907 -1.258 199 H ALA 30 HN ALA 30 -4.136 -2.011 0.426 200 HA ALA 30 HA ALA 30 -6.806 -2.209 -0.777 201 1HB ALA 30 HB1 ALA 30 -5.833 -4.551 -0.778 202 2HB ALA 30 HB2 ALA 30 -7.200 -4.405 0.367 203 3HB ALA 30 HB3 ALA 30 -5.494 -4.395 0.981 204 H ASP 31 HN ASP 31 -7.400 -3.470 2.103 205 HA ASP 31 HA ASP 31 -6.841 -1.354 3.826 206 1HB ASP 31 HB2 ASP 31 -9.202 -0.782 4.400 207 2HB ASP 31 HB1 ASP 31 -8.799 -0.219 2.766 208 H LEU 32 HN LEU 32 -8.778 -2.265 5.736 209 HA LEU 32 HA LEU 32 -9.086 -5.050 5.444 210 1HB LEU 32 HB2 LEU 32 -8.027 -3.704 8.050 211 2HB LEU 32 HB1 LEU 32 -8.849 -5.294 7.998 212 HG LEU 32 HG LEU 32 -6.578 -5.775 8.279 213 1HD1 LEU 32 HD11 LEU 32 -7.022 -6.161 5.246 214 2HD1 LEU 32 HD12 LEU 32 -7.690 -7.216 6.549 215 3HD1 LEU 32 HD13 LEU 32 -5.909 -7.085 6.315 216 1HD2 LEU 32 HD21 LEU 32 -5.625 -3.540 7.692 217 2HD2 LEU 32 HD22 LEU 32 -5.796 -3.948 5.941 218 3HD2 LEU 32 HD23 LEU 32 -4.681 -4.907 6.981 219 1HN NH2 33 H1 NH2 33 -12.103 -3.787 7.121 220 2HN NH2 33 H2 NH2 33 -11.186 -5.243 6.895 Start of MODEL 15 1 1H ASP 1 HT1 ASP 1 2.437 11.711 -0.745 2 2H ASP 1 HT2 ASP 1 2.651 13.080 0.103 3 3H ASP 1 HT3 ASP 1 3.957 12.247 -0.427 4 HA ASP 1 HA ASP 1 3.374 14.304 -1.722 5 1HB ASP 1 HB2 ASP 1 3.333 11.531 -3.163 6 2HB ASP 1 HB1 ASP 1 3.430 13.105 -4.042 7 H ASP 2 HN ASP 2 1.474 11.869 -3.444 8 HA ASP 2 HA ASP 2 -0.957 12.648 -2.005 9 1HB ASP 2 HB2 ASP 2 -1.031 12.436 -4.596 10 2HB ASP 2 HB1 ASP 2 -0.645 10.696 -4.389 11 H CYS 3 HN CYS 3 -1.758 9.723 -2.327 12 HA CYS 3 HA CYS 3 0.147 8.462 -0.468 13 1HB CYS 3 HB2 CYS 3 -1.782 6.896 0.032 14 2HB CYS 3 HB1 CYS 3 -2.117 8.579 0.518 15 H ILE 4 HN ILE 4 -0.274 5.835 -1.116 16 HA ILE 4 HA ILE 4 -0.033 5.728 -4.032 17 HB ILE 4 HB ILE 4 0.173 3.473 -2.006 18 1HG1 ILE 4 HG12 ILE 4 2.349 5.207 -3.342 19 2HG1 ILE 4 HG11 ILE 4 1.946 5.157 -1.597 20 1HG2 ILE 4 HG21 ILE 4 1.154 2.248 -3.978 21 2HG2 ILE 4 HG22 ILE 4 0.926 3.696 -5.017 22 3HG2 ILE 4 HG23 ILE 4 -0.492 2.798 -4.364 23 1HD1 ILE 4 HD11 ILE 4 3.196 2.873 -3.249 24 2HD1 ILE 4 HD12 ILE 4 2.616 2.707 -1.549 25 3HD1 ILE 4 HD13 ILE 4 3.967 3.841 -1.945 26 H LYS 5 HN LYS 5 -1.701 4.666 -5.218 27 HA LYS 5 HA LYS 5 -4.149 5.645 -4.232 28 1HB LYS 5 HB2 LYS 5 -3.331 5.867 -6.643 29 2HB LYS 5 HB1 LYS 5 -3.552 4.094 -6.828 30 1HG LYS 5 HG2 LYS 5 -5.415 5.182 -7.859 31 2HG LYS 5 HG1 LYS 5 -6.041 4.418 -6.364 32 1HD LYS 5 HD2 LYS 5 -5.885 6.696 -5.211 33 2HD LYS 5 HD1 LYS 5 -5.353 7.407 -6.766 34 1HE LYS 5 HE2 LYS 5 -8.065 5.986 -6.250 35 2HE LYS 5 HE1 LYS 5 -7.805 7.775 -6.346 36 1HZ LYS 5 HZ1 LYS 5 -7.102 7.461 -8.606 37 2HZ LYS 5 HZ2 LYS 5 -8.600 6.866 -8.389 38 3HZ LYS 5 HZ3 LYS 5 -7.334 5.853 -8.519 39 HA HYP 6 HA HYP 6 -5.437 1.645 -2.832 40 1HB HYP 6 HB1 HYP 6 -7.699 1.729 -1.976 41 2HB HYP 6 HB2 HYP 6 -8.242 2.749 -3.367 42 1HD HYP 6 HD1 HYP 6 -6.911 5.041 -3.771 43 2HD HYP 6 HD2 HYP 6 -5.513 5.297 -2.638 44 HOD HYP 6 HOD HYP 6 -6.265 2.657 -0.609 45 HG HYP 6 HG HYP 6 -7.840 4.425 -1.547 46 H TYR 7 HN TYR 7 -5.655 -0.315 -3.822 47 HA TYR 7 HA TYR 7 -5.740 -1.772 -5.295 48 1HB TYR 7 HB2 TYR 7 -7.868 -0.249 -6.874 49 2HB TYR 7 HB1 TYR 7 -7.476 -2.012 -6.992 50 HD1 TYR 7 HD1 TYR 7 -9.807 0.164 -5.655 51 HD2 TYR 7 HD2 TYR 7 -7.302 -3.095 -4.378 52 HE1 TYR 7 HE1 TYR 7 -11.282 -0.216 -3.713 53 HE2 TYR 7 HE2 TYR 7 -8.744 -3.455 -2.435 54 HH TYR 7 HH TYR 7 -10.516 -2.656 -1.210 55 H GLY 8 HN GLY 8 -4.095 0.832 -5.615 56 1HA GLY 8 HA2 GLY 8 -3.064 0.223 -8.287 57 2HA GLY 8 HA1 GLY 8 -2.594 1.557 -7.133 58 H PHE 9 HN PHE 9 -0.466 0.007 -8.084 59 HA PHE 9 HA PHE 9 -0.094 -2.176 -6.214 60 1HB PHE 9 HB2 PHE 9 0.594 -2.300 -8.732 61 2HB PHE 9 HB1 PHE 9 1.930 -1.171 -8.314 62 HD1 PHE 9 HD1 PHE 9 3.855 -2.009 -7.054 63 HD2 PHE 9 HD2 PHE 9 0.436 -4.541 -7.698 64 HE1 PHE 9 HE1 PHE 9 5.154 -3.964 -6.290 65 HE2 PHE 9 HE2 PHE 9 1.741 -6.493 -6.927 66 HZ PHE 9 HZ PHE 9 4.101 -6.212 -6.228 67 H CYS 10 HN CYS 10 1.561 -2.055 -4.516 68 HA CYS 10 HA CYS 10 2.717 0.655 -4.216 69 1HB CYS 10 HB2 CYS 10 3.065 0.031 -1.779 70 2HB CYS 10 HB1 CYS 10 1.417 0.480 -2.289 71 H SER 11 HN SER 11 3.671 -2.468 -2.619 72 HA SER 11 HA SER 11 5.985 -2.780 -4.126 73 1HB SER 11 HB2 SER 11 7.501 -1.971 -2.082 74 2HB SER 11 HB1 SER 11 6.876 -0.717 -3.205 75 HG SER 11 HG SER 11 6.546 -0.106 -1.093 76 H LEU 12 HN LEU 12 7.431 -4.078 -2.038 77 HA LEU 12 HA LEU 12 5.613 -5.498 -0.434 78 1HB LEU 12 HB2 LEU 12 7.801 -6.807 -2.229 79 2HB LEU 12 HB1 LEU 12 7.128 -7.567 -0.758 80 HG LEU 12 HG LEU 12 6.168 -8.663 -2.595 81 1HD1 LEU 12 HD11 LEU 12 4.603 -8.195 -0.701 82 2HD1 LEU 12 HD12 LEU 12 3.747 -8.386 -2.273 83 3HD1 LEU 12 HD13 LEU 12 3.981 -6.742 -1.572 84 1HD2 LEU 12 HD21 LEU 12 5.158 -6.028 -3.816 85 2HD2 LEU 12 HD22 LEU 12 4.937 -7.690 -4.460 86 3HD2 LEU 12 HD23 LEU 12 6.587 -6.972 -4.387 87 HA PRO 13 HA PRO 13 6.964 -7.041 1.470 88 1HB PRO 13 HB2 PRO 13 7.729 -5.267 3.864 89 2HB PRO 13 HB1 PRO 13 7.794 -7.072 3.762 90 1HG PRO 13 HG1 PRO 13 10.089 -5.610 3.529 91 2HG PRO 13 HG2 PRO 13 9.791 -6.977 2.372 92 1HD PRO 13 HD1 PRO 13 9.325 -3.974 1.906 93 2HD PRO 13 HD2 PRO 13 10.091 -5.201 0.799 94 H ILE 14 HN ILE 14 5.180 -7.143 3.065 95 HA ILE 14 HA ILE 14 3.244 -5.144 2.328 96 HB ILE 14 HB ILE 14 1.587 -6.750 3.120 97 1HG1 ILE 14 HG12 ILE 14 3.951 -8.566 3.960 98 2HG1 ILE 14 HG11 ILE 14 2.856 -7.697 5.086 99 1HG2 ILE 14 HG21 ILE 14 3.733 -8.223 1.447 100 2HG2 ILE 14 HG22 ILE 14 2.705 -6.888 0.805 101 3HG2 ILE 14 HG23 ILE 14 1.947 -8.417 1.373 102 1HD1 ILE 14 HD11 ILE 14 2.129 -10.031 4.894 103 2HD1 ILE 14 HD12 ILE 14 2.013 -9.908 3.104 104 3HD1 ILE 14 HD13 ILE 14 0.886 -8.962 4.149 105 H LEU 15 HN LEU 15 1.633 -4.671 4.032 106 HA LEU 15 HA LEU 15 0.883 -4.544 6.163 107 1HB LEU 15 HB2 LEU 15 3.739 -4.018 7.153 108 2HB LEU 15 HB1 LEU 15 2.247 -3.782 8.133 109 HG LEU 15 HG LEU 15 3.296 -6.433 6.992 110 1HD1 LEU 15 HD11 LEU 15 4.664 -5.533 8.870 111 2HD1 LEU 15 HD12 LEU 15 3.782 -7.028 9.354 112 3HD1 LEU 15 HD13 LEU 15 3.192 -5.416 9.908 113 1HD2 LEU 15 HD21 LEU 15 0.817 -5.935 8.765 114 2HD2 LEU 15 HD22 LEU 15 1.540 -7.544 8.400 115 3HD2 LEU 15 HD23 LEU 15 0.831 -6.567 7.070 116 H LYS 16 HN LYS 16 3.360 -2.128 6.769 117 HA LYS 16 HA LYS 16 1.925 -0.217 5.110 118 1HB LYS 16 HB2 LYS 16 3.198 0.351 7.877 119 2HB LYS 16 HB1 LYS 16 2.419 1.552 6.792 120 1HG LYS 16 HG2 LYS 16 1.024 -0.796 8.232 121 2HG LYS 16 HG1 LYS 16 1.028 0.905 8.800 122 1HD LYS 16 HD2 LYS 16 -0.231 1.656 6.832 123 2HD LYS 16 HD1 LYS 16 -0.152 0.031 6.079 124 1HE LYS 16 HE2 LYS 16 -1.586 0.633 8.758 125 2HE LYS 16 HE1 LYS 16 -2.390 0.506 7.141 126 1HZ LYS 16 HZ1 LYS 16 -2.499 -1.528 8.339 127 2HZ LYS 16 HZ2 LYS 16 -0.880 -1.632 8.476 128 3HZ LYS 16 HZ3 LYS 16 -1.581 -1.737 7.012 129 H ASN 17 HN ASN 17 3.562 0.688 3.818 130 HA ASN 17 HA ASN 17 6.299 0.602 4.380 131 1HB ASN 17 HB2 ASN 17 6.198 -1.898 4.111 132 2HB ASN 17 HB1 ASN 17 5.174 -1.726 2.648 133 1HD2 ASN 17 HD21 ASN 17 6.664 -2.828 1.314 134 2HD2 ASN 17 HD22 ASN 17 8.154 -2.099 0.769 135 H GLY 18 HN GLY 18 3.915 -0.245 1.807 136 1HA GLY 18 HA2 GLY 18 4.361 2.298 0.471 137 2HA GLY 18 HA1 GLY 18 3.096 1.025 0.153 138 H LEU 19 HN LEU 19 2.928 4.084 0.836 139 HA LEU 19 HA LEU 19 1.245 3.818 3.235 140 1HB LEU 19 HB2 LEU 19 2.425 6.339 1.909 141 2HB LEU 19 HB1 LEU 19 1.181 6.341 3.197 142 HG LEU 19 HG LEU 19 3.250 6.882 4.199 143 1HD1 LEU 19 HD11 LEU 19 3.484 5.210 5.982 144 2HD1 LEU 19 HD12 LEU 19 2.686 3.950 4.977 145 3HD1 LEU 19 HD13 LEU 19 1.746 5.385 5.537 146 1HD2 LEU 19 HD21 LEU 19 4.845 5.959 2.512 147 2HD2 LEU 19 HD22 LEU 19 4.556 4.295 3.145 148 3HD2 LEU 19 HD23 LEU 19 5.304 5.539 4.199 149 H CYS 20 HN CYS 20 -0.539 2.947 2.312 150 HA CYS 20 HA CYS 20 -1.554 4.042 -0.177 151 1HB CYS 20 HB2 CYS 20 -2.674 1.884 1.708 152 2HB CYS 20 HB1 CYS 20 -3.289 2.269 0.076 153 H CYS 21 HN CYS 21 -3.783 5.045 -0.214 154 HA CYS 21 HA CYS 21 -4.244 6.656 2.096 155 1HB CYS 21 HB2 CYS 21 -5.916 6.140 -0.415 156 2HB CYS 21 HB1 CYS 21 -6.611 7.023 0.970 157 H SER 22 HN SER 22 -5.573 3.562 0.966 158 HA SER 22 HA SER 22 -7.401 3.404 3.199 159 1HB SER 22 HB2 SER 22 -7.884 1.102 2.144 160 2HB SER 22 HB1 SER 22 -8.244 2.538 1.121 161 HG SER 22 HG SER 22 -6.233 0.610 0.929 162 H GLY 23 HN GLY 23 -4.192 3.417 3.271 163 1HA GLY 23 HA2 GLY 23 -3.025 2.901 5.050 164 2HA GLY 23 HA1 GLY 23 -4.263 1.701 5.578 165 H ALA 24 HN ALA 24 -4.392 -0.267 3.954 166 HA ALA 24 HA ALA 24 -1.835 -1.357 4.675 167 1HB ALA 24 HB1 ALA 24 -4.256 -2.819 3.483 168 2HB ALA 24 HB2 ALA 24 -3.932 -2.603 5.247 169 3HB ALA 24 HB3 ALA 24 -2.812 -3.584 4.239 170 H CYS 25 HN CYS 25 -0.197 -2.091 3.434 171 HA CYS 25 HA CYS 25 -0.536 -2.033 0.505 172 1HB CYS 25 HB2 CYS 25 1.272 -0.512 1.282 173 2HB CYS 25 HB1 CYS 25 1.924 -1.798 2.342 174 H VAL 26 HN VAL 26 -0.741 -4.102 -0.336 175 HA VAL 26 HA VAL 26 0.440 -6.321 1.136 176 HB VAL 26 HB VAL 26 -1.817 -6.018 2.025 177 1HG1 VAL 26 HG11 VAL 26 -2.903 -4.812 0.156 178 2HG1 VAL 26 HG12 VAL 26 -3.829 -6.290 0.590 179 3HG1 VAL 26 HG13 VAL 26 -2.812 -6.276 -0.892 180 1HG2 VAL 26 HG21 VAL 26 -1.643 -8.504 0.213 181 2HG2 VAL 26 HG22 VAL 26 -2.629 -8.303 1.705 182 3HG2 VAL 26 HG23 VAL 26 -0.831 -8.307 1.811 183 H GLY 27 HN GLY 27 1.515 -4.917 -0.994 184 1HA GLY 27 HA2 GLY 27 2.479 -5.581 -2.959 185 2HA GLY 27 HA1 GLY 27 1.133 -6.758 -3.255 186 H VAL 28 HN VAL 28 -1.114 -5.626 -3.231 187 HA VAL 28 HA VAL 28 -0.989 -3.101 -4.698 188 HB VAL 28 HB VAL 28 -3.431 -3.335 -4.990 189 1HG1 VAL 28 HG11 VAL 28 -1.808 -4.079 -6.725 190 2HG1 VAL 28 HG12 VAL 28 -3.267 -5.134 -6.710 191 3HG1 VAL 28 HG13 VAL 28 -1.724 -5.720 -5.982 192 1HG2 VAL 28 HG21 VAL 28 -3.046 -6.141 -3.709 193 2HG2 VAL 28 HG22 VAL 28 -4.541 -5.494 -4.463 194 3HG2 VAL 28 HG23 VAL 28 -3.920 -4.751 -2.954 195 H CYS 29 HN CYS 29 -2.495 -1.399 -3.872 196 HA CYS 29 HA CYS 29 -2.385 -1.257 -0.958 197 1HB CYS 29 HB2 CYS 29 -3.372 0.571 -3.210 198 2HB CYS 29 HB1 CYS 29 -3.759 0.937 -1.501 199 H ALA 30 HN ALA 30 -4.053 -1.839 0.363 200 HA ALA 30 HA ALA 30 -6.721 -2.082 -0.793 201 1HB ALA 30 HB1 ALA 30 -5.677 -4.413 -1.033 202 2HB ALA 30 HB2 ALA 30 -7.044 -4.389 0.125 203 3HB ALA 30 HB3 ALA 30 -5.339 -4.401 0.732 204 H ASP 31 HN ASP 31 -7.221 -3.624 1.938 205 HA ASP 31 HA ASP 31 -6.455 -1.694 3.848 206 1HB ASP 31 HB2 ASP 31 -8.812 -1.657 4.856 207 2HB ASP 31 HB1 ASP 31 -8.647 -0.672 3.368 208 H LEU 32 HN LEU 32 -7.023 -3.064 6.013 209 HA LEU 32 HA LEU 32 -7.493 -5.784 5.589 210 1HB LEU 32 HB2 LEU 32 -4.838 -4.726 6.830 211 2HB LEU 32 HB1 LEU 32 -5.468 -6.381 7.107 212 HG LEU 32 HG LEU 32 -4.616 -5.254 4.372 213 1HD1 LEU 32 HD11 LEU 32 -3.052 -7.141 6.248 214 2HD1 LEU 32 HD12 LEU 32 -2.672 -5.407 5.932 215 3HD1 LEU 32 HD13 LEU 32 -2.554 -6.611 4.597 216 1HD2 LEU 32 HD21 LEU 32 -5.323 -8.142 5.205 217 2HD2 LEU 32 HD22 LEU 32 -4.611 -7.644 3.624 218 3HD2 LEU 32 HD23 LEU 32 -6.249 -7.070 4.082 219 1HN NH2 33 H1 NH2 33 -7.877 -6.360 8.074 220 2HN NH2 33 H2 NH2 33 -8.349 -5.037 9.091 Start of MODEL 16 1 1H ASP 1 HT1 ASP 1 6.141 9.955 -4.164 2 2H ASP 1 HT2 ASP 1 6.226 8.423 -4.754 3 3H ASP 1 HT3 ASP 1 5.767 8.707 -3.200 4 HA ASP 1 HA ASP 1 4.256 9.546 -5.552 5 1HB ASP 1 HB2 ASP 1 3.569 7.479 -3.324 6 2HB ASP 1 HB1 ASP 1 2.402 8.064 -4.562 7 H ASP 2 HN ASP 2 1.984 9.388 -3.336 8 HA ASP 2 HA ASP 2 2.843 11.665 -1.689 9 1HB ASP 2 HB2 ASP 2 1.269 12.517 -3.509 10 2HB ASP 2 HB1 ASP 2 0.083 11.254 -3.081 11 H CYS 3 HN CYS 3 -0.052 9.587 -2.210 12 HA CYS 3 HA CYS 3 0.831 7.752 -0.210 13 1HB CYS 3 HB2 CYS 3 -1.461 7.262 0.520 14 2HB CYS 3 HB1 CYS 3 -1.154 8.982 0.868 15 H ILE 4 HN ILE 4 -0.547 5.702 -1.094 16 HA ILE 4 HA ILE 4 -0.431 5.897 -4.031 17 HB ILE 4 HB ILE 4 -0.124 3.416 -2.303 18 1HG1 ILE 4 HG12 ILE 4 1.912 5.438 -3.422 19 2HG1 ILE 4 HG11 ILE 4 1.683 4.910 -1.714 20 1HG2 ILE 4 HG21 ILE 4 -0.856 2.983 -4.703 21 2HG2 ILE 4 HG22 ILE 4 0.781 2.398 -4.370 22 3HG2 ILE 4 HG23 ILE 4 0.570 3.923 -5.288 23 1HD1 ILE 4 HD11 ILE 4 3.574 3.684 -2.258 24 2HD1 ILE 4 HD12 ILE 4 3.132 3.517 -3.996 25 3HD1 ILE 4 HD13 ILE 4 2.312 2.506 -2.744 26 H LYS 5 HN LYS 5 -2.010 4.597 -5.127 27 HA LYS 5 HA LYS 5 -4.567 5.491 -4.413 28 1HB LYS 5 HB2 LYS 5 -3.663 5.418 -6.785 29 2HB LYS 5 HB1 LYS 5 -3.534 3.628 -6.644 30 1HG LYS 5 HG2 LYS 5 -5.999 3.457 -6.474 31 2HG LYS 5 HG1 LYS 5 -6.169 5.235 -6.629 32 1HD LYS 5 HD2 LYS 5 -5.289 5.194 -8.902 33 2HD LYS 5 HD1 LYS 5 -4.713 3.502 -8.732 34 1HE LYS 5 HE2 LYS 5 -7.676 4.389 -8.782 35 2HE LYS 5 HE1 LYS 5 -6.775 3.570 -10.124 36 1HZ LYS 5 HZ1 LYS 5 -6.529 1.675 -8.709 37 2HZ LYS 5 HZ2 LYS 5 -8.101 2.077 -8.810 38 3HZ LYS 5 HZ3 LYS 5 -7.261 2.414 -7.460 39 HA HYP 6 HA HYP 6 -5.734 1.566 -2.557 40 1HB HYP 6 HB1 HYP 6 -8.055 1.698 -1.889 41 2HB HYP 6 HB2 HYP 6 -8.549 2.264 -3.526 42 1HD HYP 6 HD1 HYP 6 -7.353 4.520 -4.401 43 2HD HYP 6 HD2 HYP 6 -6.259 5.310 -3.181 44 HOD HYP 6 HOD HYP 6 -6.728 3.097 -0.814 45 HG HYP 6 HG HYP 6 -8.623 4.356 -2.254 46 H TYR 7 HN TYR 7 -5.642 -0.530 -3.522 47 HA TYR 7 HA TYR 7 -5.333 -1.941 -5.026 48 1HB TYR 7 HB2 TYR 7 -7.842 -0.851 -6.419 49 2HB TYR 7 HB1 TYR 7 -7.028 -2.418 -6.801 50 HD1 TYR 7 HD1 TYR 7 -6.559 -4.021 -4.837 51 HD2 TYR 7 HD2 TYR 7 -9.451 -0.847 -4.637 52 HE1 TYR 7 HE1 TYR 7 -7.592 -5.095 -2.873 53 HE2 TYR 7 HE2 TYR 7 -10.502 -1.924 -2.689 54 HH TYR 7 HH TYR 7 -10.400 -3.657 -1.189 55 H GLY 8 HN GLY 8 -3.924 0.642 -5.353 56 1HA GLY 8 HA2 GLY 8 -3.068 0.145 -8.131 57 2HA GLY 8 HA1 GLY 8 -2.593 1.503 -7.015 58 H PHE 9 HN PHE 9 -0.561 -0.138 -8.194 59 HA PHE 9 HA PHE 9 0.175 -2.169 -6.294 60 1HB PHE 9 HB2 PHE 9 1.896 -0.727 -8.430 61 2HB PHE 9 HB1 PHE 9 2.389 -2.199 -7.517 62 HD1 PHE 9 HD1 PHE 9 1.969 -1.471 -10.611 63 HD2 PHE 9 HD2 PHE 9 -0.126 -3.897 -7.738 64 HE1 PHE 9 HE1 PHE 9 1.197 -2.957 -12.423 65 HE2 PHE 9 HE2 PHE 9 -0.909 -5.364 -9.562 66 HZ PHE 9 HZ PHE 9 -0.244 -4.906 -11.904 67 H CYS 10 HN CYS 10 1.797 -1.932 -4.657 68 HA CYS 10 HA CYS 10 2.642 0.865 -4.202 69 1HB CYS 10 HB2 CYS 10 2.504 0.306 -1.691 70 2HB CYS 10 HB1 CYS 10 0.979 0.578 -2.563 71 H SER 11 HN SER 11 4.641 0.835 -2.583 72 HA SER 11 HA SER 11 6.440 -1.266 -3.348 73 1HB SER 11 HB2 SER 11 7.965 0.674 -4.286 74 2HB SER 11 HB1 SER 11 6.601 0.160 -5.350 75 HG SER 11 HG SER 11 6.710 2.403 -5.170 76 H LEU 12 HN LEU 12 8.577 -0.712 -2.126 77 HA LEU 12 HA LEU 12 8.399 1.081 0.017 78 1HB LEU 12 HB2 LEU 12 8.943 -1.968 0.309 79 2HB LEU 12 HB1 LEU 12 9.235 -0.766 1.610 80 HG LEU 12 HG LEU 12 6.473 -1.435 0.416 81 1HD1 LEU 12 HD11 LEU 12 7.393 -3.456 1.513 82 2HD1 LEU 12 HD12 LEU 12 6.028 -2.760 2.463 83 3HD1 LEU 12 HD13 LEU 12 7.732 -2.518 3.017 84 1HD2 LEU 12 HD21 LEU 12 6.594 0.821 1.469 85 2HD2 LEU 12 HD22 LEU 12 7.214 0.090 2.999 86 3HD2 LEU 12 HD23 LEU 12 5.551 -0.291 2.426 87 HA PRO 13 HA PRO 13 10.872 0.810 1.610 88 1HB PRO 13 HB2 PRO 13 12.975 2.690 0.377 89 2HB PRO 13 HB1 PRO 13 13.072 1.793 1.942 90 1HG PRO 13 HG1 PRO 13 14.440 0.897 -0.246 91 2HG PRO 13 HG2 PRO 13 13.522 -0.291 0.773 92 1HD PRO 13 HD1 PRO 13 12.615 1.002 -1.867 93 2HD PRO 13 HD2 PRO 13 12.523 -0.740 -1.357 94 H ILE 14 HN ILE 14 10.439 2.987 2.689 95 HA ILE 14 HA ILE 14 8.630 4.442 0.986 96 HB ILE 14 HB ILE 14 7.755 5.431 2.994 97 1HG1 ILE 14 HG12 ILE 14 9.907 3.862 4.572 98 2HG1 ILE 14 HG11 ILE 14 9.904 5.637 4.319 99 1HG2 ILE 14 HG21 ILE 14 8.196 2.386 3.414 100 2HG2 ILE 14 HG22 ILE 14 7.118 3.092 2.158 101 3HG2 ILE 14 HG23 ILE 14 6.777 3.374 3.901 102 1HD1 ILE 14 HD11 ILE 14 7.715 5.831 5.525 103 2HD1 ILE 14 HD12 ILE 14 9.012 5.108 6.542 104 3HD1 ILE 14 HD13 ILE 14 7.735 4.056 5.840 105 H LEU 15 HN LEU 15 9.028 6.462 0.180 106 HA LEU 15 HA LEU 15 10.852 8.174 1.774 107 1HB LEU 15 HB2 LEU 15 10.035 8.352 -1.205 108 2HB LEU 15 HB1 LEU 15 10.851 9.686 -0.318 109 HG LEU 15 HG LEU 15 11.998 6.857 -0.724 110 1HD1 LEU 15 HD11 LEU 15 12.710 9.439 -2.264 111 2HD1 LEU 15 HD12 LEU 15 11.725 8.065 -2.903 112 3HD1 LEU 15 HD13 LEU 15 13.454 7.805 -2.461 113 1HD2 LEU 15 HD21 LEU 15 13.011 7.878 1.254 114 2HD2 LEU 15 HD22 LEU 15 13.283 9.438 0.390 115 3HD2 LEU 15 HD23 LEU 15 14.200 7.967 -0.087 116 H LYS 16 HN LYS 16 8.133 8.317 -0.571 117 HA LYS 16 HA LYS 16 6.276 8.944 1.519 118 1HB LYS 16 HB2 LYS 16 6.568 10.765 -0.981 119 2HB LYS 16 HB1 LYS 16 5.111 10.681 0.064 120 1HG LYS 16 HG2 LYS 16 6.518 11.469 2.026 121 2HG LYS 16 HG1 LYS 16 7.922 11.612 0.916 122 1HD LYS 16 HD2 LYS 16 7.020 13.806 1.191 123 2HD LYS 16 HD1 LYS 16 6.586 13.285 -0.474 124 1HE LYS 16 HE2 LYS 16 4.222 12.838 0.266 125 2HE LYS 16 HE1 LYS 16 4.687 13.183 1.979 126 1HZ LYS 16 HZ1 LYS 16 3.696 15.068 1.054 127 2HZ LYS 16 HZ2 LYS 16 4.659 15.089 -0.254 128 3HZ LYS 16 HZ3 LYS 16 5.277 15.413 1.217 129 H ASN 17 HN ASN 17 5.732 6.683 1.056 130 HA ASN 17 HA ASN 17 4.116 6.130 -0.973 131 1HB ASN 17 HB2 ASN 17 5.454 4.500 -2.384 132 2HB ASN 17 HB1 ASN 17 5.959 6.176 -2.669 133 1HD2 ASN 17 HD21 ASN 17 7.153 3.023 -1.962 134 2HD2 ASN 17 HD22 ASN 17 8.706 3.483 -1.309 135 H GLY 18 HN GLY 18 4.683 3.268 -0.808 136 1HA GLY 18 HA2 GLY 18 4.561 1.624 0.640 137 2HA GLY 18 HA1 GLY 18 5.016 2.731 1.997 138 H LEU 19 HN LEU 19 3.400 4.598 2.118 139 HA LEU 19 HA LEU 19 1.154 3.454 3.323 140 1HB LEU 19 HB2 LEU 19 1.608 6.423 2.700 141 2HB LEU 19 HB1 LEU 19 0.540 5.751 3.971 142 HG LEU 19 HG LEU 19 3.627 5.627 3.850 143 1HD1 LEU 19 HD11 LEU 19 3.590 7.177 5.759 144 2HD1 LEU 19 HD12 LEU 19 1.781 7.193 5.753 145 3HD1 LEU 19 HD13 LEU 19 2.701 7.879 4.361 146 1HD2 LEU 19 HD21 LEU 19 3.533 4.706 6.193 147 2HD2 LEU 19 HD22 LEU 19 2.887 3.572 4.960 148 3HD2 LEU 19 HD23 LEU 19 1.749 4.492 6.021 149 H CYS 20 HN CYS 20 -0.778 2.874 2.409 150 HA CYS 20 HA CYS 20 -1.503 4.059 -0.163 151 1HB CYS 20 HB2 CYS 20 -2.805 1.787 1.432 152 2HB CYS 20 HB1 CYS 20 -3.290 2.361 -0.198 153 H CYS 21 HN CYS 21 -3.674 5.186 -0.257 154 HA CYS 21 HA CYS 21 -4.036 6.645 2.179 155 1HB CYS 21 HB2 CYS 21 -5.237 6.800 -0.596 156 2HB CYS 21 HB1 CYS 21 -6.219 7.437 0.747 157 H SER 22 HN SER 22 -5.463 3.704 0.939 158 HA SER 22 HA SER 22 -7.652 3.829 2.822 159 1HB SER 22 HB2 SER 22 -7.983 1.422 1.840 160 2HB SER 22 HB1 SER 22 -8.259 2.833 0.768 161 HG SER 22 HG SER 22 -6.175 0.963 0.812 162 H GLY 23 HN GLY 23 -4.300 3.255 3.002 163 1HA GLY 23 HA2 GLY 23 -3.620 2.947 5.187 164 2HA GLY 23 HA1 GLY 23 -4.733 1.545 5.362 165 H ALA 24 HN ALA 24 -4.304 -0.379 3.924 166 HA ALA 24 HA ALA 24 -1.481 -0.788 4.463 167 1HB ALA 24 HB1 ALA 24 -3.700 -2.852 3.951 168 2HB ALA 24 HB2 ALA 24 -3.117 -2.313 5.576 169 3HB ALA 24 HB3 ALA 24 -2.010 -3.216 4.487 170 H CYS 25 HN CYS 25 -0.151 -2.188 3.161 171 HA CYS 25 HA CYS 25 -0.700 -2.070 0.292 172 1HB CYS 25 HB2 CYS 25 1.198 -0.509 0.880 173 2HB CYS 25 HB1 CYS 25 1.917 -1.763 1.933 174 H VAL 26 HN VAL 26 -0.756 -4.223 -0.487 175 HA VAL 26 HA VAL 26 0.772 -6.226 0.955 176 HB VAL 26 HB VAL 26 -1.453 -6.300 1.986 177 1HG1 VAL 26 HG11 VAL 26 -2.790 -5.272 0.139 178 2HG1 VAL 26 HG12 VAL 26 -3.503 -6.816 0.716 179 3HG1 VAL 26 HG13 VAL 26 -2.607 -6.776 -0.841 180 1HG2 VAL 26 HG21 VAL 26 -1.883 -8.690 1.701 181 2HG2 VAL 26 HG22 VAL 26 -0.107 -8.385 1.661 182 3HG2 VAL 26 HG23 VAL 26 -1.006 -8.719 0.131 183 H GLY 27 HN GLY 27 1.520 -4.695 -1.172 184 1HA GLY 27 HA2 GLY 27 2.557 -5.223 -3.125 185 2HA GLY 27 HA1 GLY 27 1.421 -6.605 -3.395 186 H VAL 28 HN VAL 28 -0.995 -5.674 -3.222 187 HA VAL 28 HA VAL 28 -1.238 -3.260 -4.881 188 HB VAL 28 HB VAL 28 -3.731 -3.759 -4.766 189 1HG1 VAL 28 HG11 VAL 28 -2.357 -4.215 -6.780 190 2HG1 VAL 28 HG12 VAL 28 -3.621 -5.481 -6.579 191 3HG1 VAL 28 HG13 VAL 28 -1.908 -5.843 -6.142 192 1HG2 VAL 28 HG21 VAL 28 -3.659 -5.292 -2.745 193 2HG2 VAL 28 HG22 VAL 28 -2.778 -6.528 -3.721 194 3HG2 VAL 28 HG23 VAL 28 -4.452 -6.049 -4.157 195 H CYS 29 HN CYS 29 -2.534 -1.542 -3.885 196 HA CYS 29 HA CYS 29 -2.322 -1.438 -1.001 197 1HB CYS 29 HB2 CYS 29 -3.674 0.295 -3.139 198 2HB CYS 29 HB1 CYS 29 -3.863 0.655 -1.397 199 H ALA 30 HN ALA 30 -4.010 -1.693 0.499 200 HA ALA 30 HA ALA 30 -6.648 -2.344 -0.607 201 1HB ALA 30 HB1 ALA 30 -5.221 -4.070 1.516 202 2HB ALA 30 HB2 ALA 30 -5.467 -4.570 -0.192 203 3HB ALA 30 HB3 ALA 30 -6.892 -4.333 0.860 204 H ASP 31 HN ASP 31 -7.515 -3.019 2.157 205 HA ASP 31 HA ASP 31 -6.873 -0.737 3.725 206 1HB ASP 31 HB2 ASP 31 -9.279 -0.537 4.480 207 2HB ASP 31 HB1 ASP 31 -9.104 0.037 2.800 208 H LEU 32 HN LEU 32 -7.708 -1.590 6.025 209 HA LEU 32 HA LEU 32 -8.398 -4.262 6.189 210 1HB LEU 32 HB2 LEU 32 -5.672 -3.257 7.312 211 2HB LEU 32 HB1 LEU 32 -6.545 -4.655 8.011 212 HG LEU 32 HG LEU 32 -5.455 -4.524 5.137 213 1HD1 LEU 32 HD11 LEU 32 -4.350 -5.999 7.609 214 2HD1 LEU 32 HD12 LEU 32 -3.611 -4.577 6.786 215 3HD1 LEU 32 HD13 LEU 32 -3.734 -6.156 5.927 216 1HD2 LEU 32 HD21 LEU 32 -7.409 -6.020 5.225 217 2HD2 LEU 32 HD22 LEU 32 -6.759 -6.858 6.688 218 3HD2 LEU 32 HD23 LEU 32 -5.914 -6.999 5.102 219 1HN NH2 33 H1 NH2 33 -8.824 -4.209 8.814 220 2HN NH2 33 H2 NH2 33 -9.255 -2.645 9.424 Start of MODEL 17 1 1H ASP 1 HT1 ASP 1 -4.684 15.708 -2.349 2 2H ASP 1 HT2 ASP 1 -4.794 16.723 -1.062 3 3H ASP 1 HT3 ASP 1 -5.584 15.293 -1.054 4 HA ASP 1 HA ASP 1 -2.754 15.825 -0.739 5 1HB ASP 1 HB2 ASP 1 -4.510 13.533 0.453 6 2HB ASP 1 HB1 ASP 1 -2.824 13.941 0.936 7 H ASP 2 HN ASP 2 -2.099 12.778 -0.645 8 HA ASP 2 HA ASP 2 -3.049 11.678 -2.936 9 1HB ASP 2 HB2 ASP 2 -1.014 11.458 -4.291 10 2HB ASP 2 HB1 ASP 2 -1.462 13.193 -4.202 11 H CYS 3 HN CYS 3 -1.154 9.628 -3.032 12 HA CYS 3 HA CYS 3 -0.056 8.759 -0.734 13 1HB CYS 3 HB2 CYS 3 -1.924 7.092 -0.106 14 2HB CYS 3 HB1 CYS 3 -2.323 8.764 0.365 15 H ILE 4 HN ILE 4 -0.304 6.109 -1.392 16 HA ILE 4 HA ILE 4 -0.329 6.026 -4.311 17 HB ILE 4 HB ILE 4 -0.069 3.747 -2.302 18 1HG1 ILE 4 HG12 ILE 4 2.063 5.356 -3.857 19 2HG1 ILE 4 HG11 ILE 4 1.802 5.326 -2.088 20 1HG2 ILE 4 HG21 ILE 4 0.730 2.443 -4.309 21 2HG2 ILE 4 HG22 ILE 4 0.385 3.848 -5.382 22 3HG2 ILE 4 HG23 ILE 4 -0.943 2.971 -4.534 23 1HD1 ILE 4 HD11 ILE 4 3.724 3.909 -2.621 24 2HD1 ILE 4 HD12 ILE 4 2.781 2.972 -3.831 25 3HD1 ILE 4 HD13 ILE 4 2.365 2.843 -2.075 26 H LYS 5 HN LYS 5 -2.003 5.045 -5.468 27 HA LYS 5 HA LYS 5 -4.509 5.758 -4.478 28 1HB LYS 5 HB2 LYS 5 -3.614 5.807 -6.949 29 2HB LYS 5 HB1 LYS 5 -3.952 4.050 -6.983 30 1HG LYS 5 HG2 LYS 5 -5.800 5.111 -8.025 31 2HG LYS 5 HG1 LYS 5 -6.422 4.695 -6.396 32 1HD LYS 5 HD2 LYS 5 -6.089 7.082 -5.670 33 2HD LYS 5 HD1 LYS 5 -5.259 7.445 -7.218 34 1HE LYS 5 HE2 LYS 5 -7.574 8.337 -7.259 35 2HE LYS 5 HE1 LYS 5 -7.361 7.039 -8.503 36 1HZ LYS 5 HZ1 LYS 5 -9.379 6.805 -7.287 37 2HZ LYS 5 HZ2 LYS 5 -8.608 6.701 -5.859 38 3HZ LYS 5 HZ3 LYS 5 -8.415 5.531 -6.972 39 HA HYP 6 HA HYP 6 -5.280 1.761 -2.750 40 1HB HYP 6 HB1 HYP 6 -7.565 1.580 -1.896 41 2HB HYP 6 HB2 HYP 6 -8.193 2.536 -3.292 42 1HD HYP 6 HD1 HYP 6 -7.084 4.974 -3.723 43 2HD HYP 6 HD2 HYP 6 -5.638 5.267 -2.656 44 HOD HYP 6 HOD HYP 6 -6.183 2.677 -0.514 45 HG HYP 6 HG HYP 6 -7.914 4.263 -1.502 46 H TYR 7 HN TYR 7 -5.501 -0.389 -3.478 47 HA TYR 7 HA TYR 7 -5.224 -1.883 -4.882 48 1HB TYR 7 HB2 TYR 7 -7.750 -0.807 -6.255 49 2HB TYR 7 HB1 TYR 7 -6.985 -2.404 -6.626 50 HD1 TYR 7 HD1 TYR 7 -6.448 -3.910 -4.433 51 HD2 TYR 7 HD2 TYR 7 -9.428 -0.819 -4.643 52 HE1 TYR 7 HE1 TYR 7 -7.592 -4.881 -2.486 53 HE2 TYR 7 HE2 TYR 7 -10.578 -1.786 -2.706 54 HH TYR 7 HH TYR 7 -10.664 -3.531 -1.214 55 H GLY 8 HN GLY 8 -3.730 0.583 -5.353 56 1HA GLY 8 HA2 GLY 8 -2.883 -0.120 -8.071 57 2HA GLY 8 HA1 GLY 8 -2.597 1.474 -7.226 58 H PHE 9 HN PHE 9 -0.227 0.117 -7.921 59 HA PHE 9 HA PHE 9 0.317 -1.924 -6.009 60 1HB PHE 9 HB2 PHE 9 2.693 -1.818 -7.260 61 2HB PHE 9 HB1 PHE 9 1.245 -2.585 -7.996 62 HD1 PHE 9 HD1 PHE 9 0.245 -1.723 -9.948 63 HD2 PHE 9 HD2 PHE 9 3.246 0.599 -7.916 64 HE1 PHE 9 HE1 PHE 9 0.260 -0.106 -11.829 65 HE2 PHE 9 HE2 PHE 9 3.292 2.186 -9.812 66 HZ PHE 9 HZ PHE 9 1.803 1.848 -11.769 67 H CYS 10 HN CYS 10 1.525 -1.887 -4.240 68 HA CYS 10 HA CYS 10 3.067 0.542 -3.572 69 1HB CYS 10 HB2 CYS 10 2.533 -0.051 -1.133 70 2HB CYS 10 HB1 CYS 10 1.147 0.519 -2.092 71 H SER 11 HN SER 11 3.387 -2.394 -4.849 72 HA SER 11 HA SER 11 5.067 -3.748 -3.009 73 1HB SER 11 HB2 SER 11 5.453 -4.888 -5.547 74 2HB SER 11 HB1 SER 11 4.139 -5.354 -4.418 75 HG SER 11 HG SER 11 2.729 -4.103 -5.457 76 H LEU 12 HN LEU 12 5.376 -1.100 -5.195 77 HA LEU 12 HA LEU 12 8.127 -0.909 -4.596 78 1HB LEU 12 HB2 LEU 12 6.827 -0.503 -7.396 79 2HB LEU 12 HB1 LEU 12 8.457 0.126 -6.965 80 HG LEU 12 HG LEU 12 7.706 -2.864 -6.928 81 1HD1 LEU 12 HD11 LEU 12 8.961 -1.271 -9.256 82 2HD1 LEU 12 HD12 LEU 12 7.325 -2.020 -9.202 83 3HD1 LEU 12 HD13 LEU 12 8.786 -3.062 -9.164 84 1HD2 LEU 12 HD21 LEU 12 10.459 -1.458 -6.982 85 2HD2 LEU 12 HD22 LEU 12 10.163 -3.236 -7.046 86 3HD2 LEU 12 HD23 LEU 12 9.716 -2.313 -5.578 87 HA PRO 13 HA PRO 13 9.178 1.519 -4.682 88 1HB PRO 13 HB2 PRO 13 8.301 3.437 -2.462 89 2HB PRO 13 HB1 PRO 13 9.514 3.734 -3.773 90 1HG PRO 13 HG1 PRO 13 6.996 4.875 -3.820 91 2HG PRO 13 HG2 PRO 13 7.756 4.273 -5.346 92 1HD PRO 13 HD1 PRO 13 5.667 2.834 -3.597 93 2HD PRO 13 HD2 PRO 13 5.755 2.993 -5.406 94 H ILE 14 HN ILE 14 10.666 0.733 -2.913 95 HA ILE 14 HA ILE 14 9.408 0.105 -0.421 96 HB ILE 14 HB ILE 14 10.990 -2.007 -0.467 97 1HG1 ILE 14 HG12 ILE 14 10.278 -1.806 -3.478 98 2HG1 ILE 14 HG11 ILE 14 11.910 -1.480 -2.810 99 1HG2 ILE 14 HG21 ILE 14 8.260 -1.992 -1.931 100 2HG2 ILE 14 HG22 ILE 14 8.507 -1.975 -0.145 101 3HG2 ILE 14 HG23 ILE 14 9.018 -3.401 -1.101 102 1HD1 ILE 14 HD11 ILE 14 12.080 -3.832 -1.982 103 2HD1 ILE 14 HD12 ILE 14 11.732 -3.793 -3.756 104 3HD1 ILE 14 HD13 ILE 14 10.412 -4.178 -2.604 105 H LEU 15 HN LEU 15 10.945 0.666 1.120 106 HA LEU 15 HA LEU 15 13.612 1.351 0.674 107 1HB LEU 15 HB2 LEU 15 11.487 3.658 0.683 108 2HB LEU 15 HB1 LEU 15 13.142 3.882 1.344 109 HG LEU 15 HG LEU 15 12.489 3.175 -1.570 110 1HD1 LEU 15 HD11 LEU 15 11.596 5.388 -1.063 111 2HD1 LEU 15 HD12 LEU 15 13.092 5.561 -2.045 112 3HD1 LEU 15 HD13 LEU 15 13.140 5.885 -0.272 113 1HD2 LEU 15 HD21 LEU 15 15.133 3.957 -0.171 114 2HD2 LEU 15 HD22 LEU 15 14.905 3.849 -1.957 115 3HD2 LEU 15 HD23 LEU 15 14.738 2.378 -0.951 116 H LYS 16 HN LYS 16 10.674 2.641 1.980 117 HA LYS 16 HA LYS 16 10.827 1.097 4.437 118 1HB LYS 16 HB2 LYS 16 9.074 3.105 5.144 119 2HB LYS 16 HB1 LYS 16 10.813 3.183 5.525 120 1HG LYS 16 HG2 LYS 16 11.288 4.493 3.453 121 2HG LYS 16 HG1 LYS 16 9.526 4.577 3.108 122 1HD LYS 16 HD2 LYS 16 11.110 5.785 5.462 123 2HD LYS 16 HD1 LYS 16 10.341 6.648 4.097 124 1HE LYS 16 HE2 LYS 16 8.902 5.191 6.419 125 2HE LYS 16 HE1 LYS 16 8.961 6.968 6.096 126 1HZ LYS 16 HZ1 LYS 16 6.939 5.869 5.387 127 2HZ LYS 16 HZ2 LYS 16 7.759 5.006 4.275 128 3HZ LYS 16 HZ3 LYS 16 7.700 6.625 4.163 129 H ASN 17 HN ASN 17 8.046 3.047 3.158 130 HA ASN 17 HA ASN 17 7.691 1.422 0.949 131 1HB ASN 17 HB2 ASN 17 6.610 -0.050 2.892 132 2HB ASN 17 HB1 ASN 17 5.459 1.298 3.125 133 1HD2 ASN 17 HD21 ASN 17 6.711 0.066 -0.139 134 2HD2 ASN 17 HD22 ASN 17 5.229 -0.631 -0.614 135 H GLY 18 HN GLY 18 5.450 2.539 -0.023 136 1HA GLY 18 HA2 GLY 18 5.381 5.303 1.001 137 2HA GLY 18 HA1 GLY 18 5.099 4.759 -0.722 138 H LEU 19 HN LEU 19 3.176 6.095 1.351 139 HA LEU 19 HA LEU 19 1.687 3.812 2.279 140 1HB LEU 19 HB2 LEU 19 1.578 6.801 2.917 141 2HB LEU 19 HB1 LEU 19 0.419 5.629 3.618 142 HG LEU 19 HG LEU 19 3.440 5.191 3.842 143 1HD1 LEU 19 HD11 LEU 19 1.739 6.810 5.840 144 2HD1 LEU 19 HD12 LEU 19 3.064 7.444 4.786 145 3HD1 LEU 19 HD13 LEU 19 3.440 6.245 6.074 146 1HD2 LEU 19 HD21 LEU 19 1.116 4.235 5.637 147 2HD2 LEU 19 HD22 LEU 19 2.865 3.817 5.801 148 3HD2 LEU 19 HD23 LEU 19 1.937 3.245 4.372 149 H CYS 20 HN CYS 20 -0.362 3.350 1.945 150 HA CYS 20 HA CYS 20 -1.629 4.377 -0.431 151 1HB CYS 20 HB2 CYS 20 -2.489 2.186 1.582 152 2HB CYS 20 HB1 CYS 20 -3.202 2.474 -0.034 153 H CYS 21 HN CYS 21 -3.860 5.252 -0.283 154 HA CYS 21 HA CYS 21 -4.250 6.847 2.058 155 1HB CYS 21 HB2 CYS 21 -6.056 6.197 -0.341 156 2HB CYS 21 HB1 CYS 21 -6.696 7.111 1.065 157 H SER 22 HN SER 22 -5.507 3.697 1.010 158 HA SER 22 HA SER 22 -7.344 3.512 3.189 159 1HB SER 22 HB2 SER 22 -7.572 1.101 2.237 160 2HB SER 22 HB1 SER 22 -7.999 2.441 1.118 161 HG SER 22 HG SER 22 -5.807 0.720 1.171 162 H GLY 23 HN GLY 23 -3.964 3.231 3.025 163 1HA GLY 23 HA2 GLY 23 -2.846 2.942 4.980 164 2HA GLY 23 HA1 GLY 23 -4.049 1.729 5.541 165 H ALA 24 HN ALA 24 -4.103 -0.317 4.009 166 HA ALA 24 HA ALA 24 -1.429 -1.232 4.687 167 1HB ALA 24 HB1 ALA 24 -3.929 -2.918 4.086 168 2HB ALA 24 HB2 ALA 24 -3.416 -2.374 5.726 169 3HB ALA 24 HB3 ALA 24 -2.379 -3.509 4.790 170 H CYS 25 HN CYS 25 -0.274 -2.844 3.438 171 HA CYS 25 HA CYS 25 -0.760 -2.536 0.550 172 1HB CYS 25 HB2 CYS 25 1.351 -1.393 1.420 173 2HB CYS 25 HB1 CYS 25 1.891 -2.958 2.090 174 H VAL 26 HN VAL 26 -1.101 -4.488 -0.561 175 HA VAL 26 HA VAL 26 0.033 -6.878 0.683 176 HB VAL 26 HB VAL 26 -2.297 -6.805 1.376 177 1HG1 VAL 26 HG11 VAL 26 -4.158 -6.957 -0.276 178 2HG1 VAL 26 HG12 VAL 26 -2.995 -6.724 -1.624 179 3HG1 VAL 26 HG13 VAL 26 -3.270 -5.403 -0.431 180 1HG2 VAL 26 HG21 VAL 26 -2.839 -9.102 0.724 181 2HG2 VAL 26 HG22 VAL 26 -1.045 -8.942 0.876 182 3HG2 VAL 26 HG23 VAL 26 -1.815 -8.976 -0.755 183 H GLY 27 HN GLY 27 1.043 -4.987 -1.175 184 1HA GLY 27 HA2 GLY 27 2.418 -5.424 -2.959 185 2HA GLY 27 HA1 GLY 27 1.264 -6.677 -3.578 186 H VAL 28 HN VAL 28 -1.088 -5.430 -3.245 187 HA VAL 28 HA VAL 28 -1.077 -2.954 -4.786 188 HB VAL 28 HB VAL 28 -3.564 -3.435 -5.089 189 1HG1 VAL 28 HG11 VAL 28 -1.947 -3.623 -6.944 190 2HG1 VAL 28 HG12 VAL 28 -3.180 -4.930 -7.057 191 3HG1 VAL 28 HG13 VAL 28 -1.521 -5.309 -6.452 192 1HG2 VAL 28 HG21 VAL 28 -2.720 -6.313 -4.276 193 2HG2 VAL 28 HG22 VAL 28 -4.313 -5.815 -4.928 194 3HG2 VAL 28 HG23 VAL 28 -3.789 -5.226 -3.315 195 H CYS 29 HN CYS 29 -2.429 -1.330 -3.791 196 HA CYS 29 HA CYS 29 -2.223 -1.320 -0.935 197 1HB CYS 29 HB2 CYS 29 -3.521 0.500 -3.053 198 2HB CYS 29 HB1 CYS 29 -3.716 0.856 -1.307 199 H ALA 30 HN ALA 30 -3.885 -1.708 0.644 200 HA ALA 30 HA ALA 30 -6.621 -1.836 -0.325 201 1HB ALA 30 HB1 ALA 30 -5.248 -4.282 0.993 202 2HB ALA 30 HB2 ALA 30 -5.789 -4.190 -0.719 203 3HB ALA 30 HB3 ALA 30 -7.012 -4.149 0.592 204 H ASP 31 HN ASP 31 -7.102 -3.388 2.437 205 HA ASP 31 HA ASP 31 -6.106 -1.561 4.330 206 1HB ASP 31 HB2 ASP 31 -8.389 -1.189 5.371 207 2HB ASP 31 HB1 ASP 31 -8.201 -0.251 3.855 208 H LEU 32 HN LEU 32 -6.556 -2.852 6.463 209 HA LEU 32 HA LEU 32 -7.788 -5.322 6.267 210 1HB LEU 32 HB2 LEU 32 -4.763 -5.126 7.016 211 2HB LEU 32 HB1 LEU 32 -5.797 -6.562 7.329 212 HG LEU 32 HG LEU 32 -5.143 -5.488 4.525 213 1HD1 LEU 32 HD11 LEU 32 -3.418 -7.162 4.281 214 2HD1 LEU 32 HD12 LEU 32 -3.760 -7.854 5.916 215 3HD1 LEU 32 HD13 LEU 32 -3.050 -6.206 5.771 216 1HD2 LEU 32 HD21 LEU 32 -5.858 -7.711 3.706 217 2HD2 LEU 32 HD22 LEU 32 -7.197 -6.926 4.616 218 3HD2 LEU 32 HD23 LEU 32 -6.235 -8.253 5.377 219 1HN NH2 33 H1 NH2 33 -7.649 -4.354 9.838 220 2HN NH2 33 H2 NH2 33 -7.932 -5.723 8.809 Start of MODEL 18 1 1H ASP 1 HT1 ASP 1 5.956 12.506 0.419 2 2H ASP 1 HT2 ASP 1 5.124 12.499 -0.976 3 3H ASP 1 HT3 ASP 1 4.677 11.526 0.247 4 HA ASP 1 HA ASP 1 3.920 13.307 1.565 5 1HB ASP 1 HB2 ASP 1 5.021 15.053 -0.764 6 2HB ASP 1 HB1 ASP 1 4.036 15.700 0.596 7 H ASP 2 HN ASP 2 2.455 11.393 0.274 8 HA ASP 2 HA ASP 2 0.460 12.492 -1.248 9 1HB ASP 2 HB2 ASP 2 2.652 10.788 -2.683 10 2HB ASP 2 HB1 ASP 2 0.967 10.945 -3.307 11 H CYS 3 HN CYS 3 -0.083 9.667 -2.238 12 HA CYS 3 HA CYS 3 0.600 7.972 -0.076 13 1HB CYS 3 HB2 CYS 3 -1.729 7.189 0.319 14 2HB CYS 3 HB1 CYS 3 -1.597 8.895 0.817 15 H ILE 4 HN ILE 4 -0.317 5.765 -0.934 16 HA ILE 4 HA ILE 4 -0.129 5.800 -3.854 17 HB ILE 4 HB ILE 4 0.077 3.391 -2.000 18 1HG1 ILE 4 HG12 ILE 4 2.345 5.140 -3.149 19 2HG1 ILE 4 HG11 ILE 4 1.846 5.110 -1.426 20 1HG2 ILE 4 HG21 ILE 4 1.276 2.475 -4.101 21 2HG2 ILE 4 HG22 ILE 4 0.797 3.968 -4.962 22 3HG2 ILE 4 HG23 ILE 4 -0.457 2.815 -4.363 23 1HD1 ILE 4 HD11 ILE 4 2.412 2.670 -1.278 24 2HD1 ILE 4 HD12 ILE 4 3.818 3.740 -1.620 25 3HD1 ILE 4 HD13 ILE 4 3.113 2.755 -2.947 26 H LYS 5 HN LYS 5 -1.743 4.406 -5.007 27 HA LYS 5 HA LYS 5 -4.168 5.647 -4.251 28 1HB LYS 5 HB2 LYS 5 -3.044 5.569 -6.580 29 2HB LYS 5 HB1 LYS 5 -3.602 3.869 -6.704 30 1HG LYS 5 HG2 LYS 5 -6.018 4.753 -6.532 31 2HG LYS 5 HG1 LYS 5 -5.337 6.409 -6.425 32 1HD LYS 5 HD2 LYS 5 -5.594 6.443 -8.689 33 2HD LYS 5 HD1 LYS 5 -4.048 5.544 -8.694 34 1HE LYS 5 HE2 LYS 5 -6.917 4.516 -9.144 35 2HE LYS 5 HE1 LYS 5 -5.453 4.317 -10.183 36 1HZ LYS 5 HZ1 LYS 5 -4.655 2.975 -8.154 37 2HZ LYS 5 HZ2 LYS 5 -5.684 2.302 -9.224 38 3HZ LYS 5 HZ3 LYS 5 -6.236 2.851 -7.796 39 HA HYP 6 HA HYP 6 -5.997 1.946 -2.679 40 1HB HYP 6 HB1 HYP 6 -8.358 2.242 -2.300 41 2HB HYP 6 HB2 HYP 6 -8.609 2.918 -3.958 42 1HD HYP 6 HD1 HYP 6 -7.029 5.182 -4.513 43 2HD HYP 6 HD2 HYP 6 -5.955 5.592 -3.110 44 HOD HYP 6 HOD HYP 6 -7.582 4.821 -0.793 45 HG HYP 6 HG HYP 6 -8.580 4.959 -2.599 46 H TYR 7 HN TYR 7 -5.898 -0.138 -3.514 47 HA TYR 7 HA TYR 7 -5.406 -1.619 -4.888 48 1HB TYR 7 HB2 TYR 7 -8.048 -0.946 -6.267 49 2HB TYR 7 HB1 TYR 7 -7.069 -2.444 -6.548 50 HD1 TYR 7 HD1 TYR 7 -6.688 -4.065 -4.731 51 HD2 TYR 7 HD2 TYR 7 -9.244 -0.664 -4.119 52 HE1 TYR 7 HE1 TYR 7 -7.490 -5.053 -2.625 53 HE2 TYR 7 HE2 TYR 7 -10.048 -1.640 -2.010 54 HH TYR 7 HH TYR 7 -9.771 -3.320 -0.479 55 H GLY 8 HN GLY 8 -4.138 0.898 -5.389 56 1HA GLY 8 HA2 GLY 8 -3.259 0.346 -8.131 57 2HA GLY 8 HA1 GLY 8 -2.665 1.604 -6.952 58 H PHE 9 HN PHE 9 -0.706 -0.034 -8.089 59 HA PHE 9 HA PHE 9 -0.285 -2.288 -6.316 60 1HB PHE 9 HB2 PHE 9 1.335 -1.099 -8.667 61 2HB PHE 9 HB1 PHE 9 2.000 -2.374 -7.577 62 HD1 PHE 9 HD1 PHE 9 -0.782 -1.656 -10.013 63 HD2 PHE 9 HD2 PHE 9 1.288 -4.613 -7.680 64 HE1 PHE 9 HE1 PHE 9 -2.075 -3.443 -11.128 65 HE2 PHE 9 HE2 PHE 9 0.007 -6.396 -8.795 66 HZ PHE 9 HZ PHE 9 -1.701 -5.816 -10.510 67 H CYS 10 HN CYS 10 1.588 -2.314 -4.761 68 HA CYS 10 HA CYS 10 2.874 0.207 -4.434 69 1HB CYS 10 HB2 CYS 10 2.413 0.539 -2.053 70 2HB CYS 10 HB1 CYS 10 0.900 0.673 -2.984 71 H SER 11 HN SER 11 4.496 -0.125 -2.606 72 HA SER 11 HA SER 11 5.247 -2.409 -1.500 73 1HB SER 11 HB2 SER 11 7.572 -2.378 -3.020 74 2HB SER 11 HB1 SER 11 6.237 -3.560 -3.294 75 HG SER 11 HG SER 11 5.395 -2.279 -4.826 76 H LEU 12 HN LEU 12 7.933 -1.334 -0.946 77 HA LEU 12 HA LEU 12 7.574 1.479 -0.717 78 1HB LEU 12 HB2 LEU 12 7.655 -0.465 1.727 79 2HB LEU 12 HB1 LEU 12 7.939 1.293 1.862 80 HG LEU 12 HG LEU 12 5.286 -0.013 1.033 81 1HD1 LEU 12 HD11 LEU 12 4.479 0.709 3.279 82 2HD1 LEU 12 HD12 LEU 12 6.134 1.280 3.708 83 3HD1 LEU 12 HD13 LEU 12 5.825 -0.473 3.405 84 1HD2 LEU 12 HD21 LEU 12 5.515 2.267 0.032 85 2HD2 LEU 12 HD22 LEU 12 5.967 2.952 1.634 86 3HD2 LEU 12 HD23 LEU 12 4.318 2.285 1.368 87 HA PRO 13 HA PRO 13 9.171 2.713 1.003 88 1HB PRO 13 HB2 PRO 13 11.613 4.040 0.521 89 2HB PRO 13 HB1 PRO 13 11.275 3.020 1.957 90 1HG PRO 13 HG1 PRO 13 12.895 2.269 -0.490 91 2HG PRO 13 HG2 PRO 13 13.134 1.806 1.237 92 1HD PRO 13 HD1 PRO 13 11.899 0.158 -0.716 93 2HD PRO 13 HD2 PRO 13 11.607 0.012 1.072 94 H ILE 14 HN ILE 14 11.319 2.507 -1.726 95 HA ILE 14 HA ILE 14 11.251 3.088 -3.813 96 HB ILE 14 HB ILE 14 8.492 4.313 -3.530 97 1HG1 ILE 14 HG12 ILE 14 9.380 1.616 -4.741 98 2HG1 ILE 14 HG11 ILE 14 8.577 1.814 -3.148 99 1HG2 ILE 14 HG21 ILE 14 9.833 5.350 -5.384 100 2HG2 ILE 14 HG22 ILE 14 8.577 4.279 -6.072 101 3HG2 ILE 14 HG23 ILE 14 10.285 3.713 -5.995 102 1HD1 ILE 14 HD11 ILE 14 6.559 2.809 -4.274 103 2HD1 ILE 14 HD12 ILE 14 6.915 1.129 -4.814 104 3HD1 ILE 14 HD13 ILE 14 7.325 2.512 -5.883 105 H LEU 15 HN LEU 15 9.450 5.958 -2.496 106 HA LEU 15 HA LEU 15 11.817 7.354 -1.957 107 1HB LEU 15 HB2 LEU 15 9.868 8.364 -4.175 108 2HB LEU 15 HB1 LEU 15 10.853 9.469 -3.171 109 HG LEU 15 HG LEU 15 11.924 9.384 -5.215 110 1HD1 LEU 15 HD11 LEU 15 13.576 7.460 -3.454 111 2HD1 LEU 15 HD12 LEU 15 13.466 9.250 -3.243 112 3HD1 LEU 15 HD13 LEU 15 14.179 8.556 -4.741 113 1HD2 LEU 15 HD21 LEU 15 12.026 6.308 -5.264 114 2HD2 LEU 15 HD22 LEU 15 12.660 7.448 -6.488 115 3HD2 LEU 15 HD23 LEU 15 10.889 7.350 -6.205 116 H LYS 16 HN LYS 16 10.539 9.566 -0.991 117 HA LYS 16 HA LYS 16 8.843 8.270 0.890 118 1HB LYS 16 HB2 LYS 16 9.653 11.215 0.639 119 2HB LYS 16 HB1 LYS 16 8.794 10.476 2.037 120 1HG LYS 16 HG2 LYS 16 10.708 8.875 2.348 121 2HG LYS 16 HG1 LYS 16 11.635 9.720 1.064 122 1HD LYS 16 HD2 LYS 16 10.567 11.067 3.634 123 2HD LYS 16 HD1 LYS 16 12.202 10.351 3.485 124 1HE LYS 16 HE2 LYS 16 11.162 12.648 1.684 125 2HE LYS 16 HE1 LYS 16 12.179 12.864 3.165 126 1HZ LYS 16 HZ1 LYS 16 13.503 12.822 1.218 127 2HZ LYS 16 HZ2 LYS 16 12.942 11.365 0.759 128 3HZ LYS 16 HZ3 LYS 16 13.841 11.504 2.108 129 H ASN 17 HN ASN 17 7.250 7.668 -0.769 130 HA ASN 17 HA ASN 17 5.392 9.629 -1.718 131 1HB ASN 17 HB2 ASN 17 5.083 6.551 -1.521 132 2HB ASN 17 HB1 ASN 17 3.917 7.673 -2.318 133 1HD2 ASN 17 HD21 ASN 17 6.615 5.673 -2.924 134 2HD2 ASN 17 HD22 ASN 17 7.188 6.439 -4.379 135 H GLY 18 HN GLY 18 4.300 6.751 0.231 136 1HA GLY 18 HA2 GLY 18 4.083 7.818 2.597 137 2HA GLY 18 HA1 GLY 18 2.524 8.264 1.713 138 H LEU 19 HN LEU 19 1.511 6.453 3.102 139 HA LEU 19 HA LEU 19 2.251 3.762 2.236 140 1HB LEU 19 HB2 LEU 19 0.083 4.742 4.203 141 2HB LEU 19 HB1 LEU 19 0.549 3.028 3.946 142 HG LEU 19 HG LEU 19 2.469 5.172 5.043 143 1HD1 LEU 19 HD11 LEU 19 0.748 3.132 6.589 144 2HD1 LEU 19 HD12 LEU 19 0.528 4.923 6.566 145 3HD1 LEU 19 HD13 LEU 19 2.013 4.210 7.294 146 1HD2 LEU 19 HD21 LEU 19 2.647 2.086 5.057 147 2HD2 LEU 19 HD22 LEU 19 3.807 3.222 5.830 148 3HD2 LEU 19 HD23 LEU 19 3.644 3.197 4.043 149 H CYS 20 HN CYS 20 -0.707 2.959 2.453 150 HA CYS 20 HA CYS 20 -1.443 4.014 -0.178 151 1HB CYS 20 HB2 CYS 20 -2.641 1.797 1.572 152 2HB CYS 20 HB1 CYS 20 -3.327 2.338 0.008 153 H CYS 21 HN CYS 21 -3.497 5.096 -0.432 154 HA CYS 21 HA CYS 21 -4.208 6.635 1.862 155 1HB CYS 21 HB2 CYS 21 -5.194 6.491 -0.987 156 2HB CYS 21 HB1 CYS 21 -6.380 7.048 0.229 157 H SER 22 HN SER 22 -5.304 3.475 0.662 158 HA SER 22 HA SER 22 -7.603 3.483 2.380 159 1HB SER 22 HB2 SER 22 -7.737 1.085 1.494 160 2HB SER 22 HB1 SER 22 -7.749 2.340 0.215 161 HG SER 22 HG SER 22 -5.863 0.434 0.889 162 H GLY 23 HN GLY 23 -4.308 3.334 2.984 163 1HA GLY 23 HA2 GLY 23 -3.513 3.021 5.051 164 2HA GLY 23 HA1 GLY 23 -4.778 1.787 5.412 165 H ALA 24 HN ALA 24 -4.635 -0.243 4.065 166 HA ALA 24 HA ALA 24 -2.058 -1.231 4.785 167 1HB ALA 24 HB1 ALA 24 -4.485 -2.714 3.591 168 2HB ALA 24 HB2 ALA 24 -4.155 -2.510 5.353 169 3HB ALA 24 HB3 ALA 24 -3.046 -3.499 4.346 170 H CYS 25 HN CYS 25 -0.641 -2.630 3.379 171 HA CYS 25 HA CYS 25 -0.868 -2.100 0.572 172 1HB CYS 25 HB2 CYS 25 0.538 -0.157 1.484 173 2HB CYS 25 HB1 CYS 25 1.523 -1.328 2.404 174 H VAL 26 HN VAL 26 0.394 -3.811 -0.413 175 HA VAL 26 HA VAL 26 1.940 -5.645 0.885 176 HB VAL 26 HB VAL 26 -0.100 -6.689 1.721 177 1HG1 VAL 26 HG11 VAL 26 -1.226 -6.560 -1.160 178 2HG1 VAL 26 HG12 VAL 26 -1.789 -5.625 0.275 179 3HG1 VAL 26 HG13 VAL 26 -1.969 -7.411 0.241 180 1HG2 VAL 26 HG21 VAL 26 1.757 -8.154 0.756 181 2HG2 VAL 26 HG22 VAL 26 0.736 -8.381 -0.714 182 3HG2 VAL 26 HG23 VAL 26 0.135 -8.912 0.884 183 H GLY 27 HN GLY 27 1.016 -7.156 -1.952 184 1HA GLY 27 HA2 GLY 27 2.607 -5.348 -3.479 185 2HA GLY 27 HA1 GLY 27 1.701 -6.796 -4.056 186 H VAL 28 HN VAL 28 -0.506 -4.913 -2.459 187 HA VAL 28 HA VAL 28 -1.240 -3.266 -4.687 188 HB VAL 28 HB VAL 28 -3.671 -4.000 -4.495 189 1HG1 VAL 28 HG11 VAL 28 -2.272 -4.549 -6.493 190 2HG1 VAL 28 HG12 VAL 28 -3.441 -5.873 -6.127 191 3HG1 VAL 28 HG13 VAL 28 -1.707 -6.069 -5.701 192 1HG2 VAL 28 HG21 VAL 28 -2.468 -6.566 -3.222 193 2HG2 VAL 28 HG22 VAL 28 -4.171 -6.311 -3.731 194 3HG2 VAL 28 HG23 VAL 28 -3.508 -5.354 -2.370 195 H CYS 29 HN CYS 29 -2.524 -1.546 -3.774 196 HA CYS 29 HA CYS 29 -2.417 -1.271 -0.894 197 1HB CYS 29 HB2 CYS 29 -3.834 0.302 -3.137 198 2HB CYS 29 HB1 CYS 29 -4.040 0.717 -1.407 199 H ALA 30 HN ALA 30 -4.090 -1.738 0.546 200 HA ALA 30 HA ALA 30 -6.580 -2.726 -0.654 201 1HB ALA 30 HB1 ALA 30 -6.508 -4.781 0.783 202 2HB ALA 30 HB2 ALA 30 -4.896 -4.279 1.436 203 3HB ALA 30 HB3 ALA 30 -5.075 -4.763 -0.293 204 H ASP 31 HN ASP 31 -7.869 -3.487 1.657 205 HA ASP 31 HA ASP 31 -7.330 -1.856 3.828 206 1HB ASP 31 HB2 ASP 31 -9.724 -0.926 3.953 207 2HB ASP 31 HB1 ASP 31 -8.726 -0.071 2.755 208 H LEU 32 HN LEU 32 -9.416 -2.711 5.326 209 HA LEU 32 HA LEU 32 -10.546 -5.097 4.345 210 1HB LEU 32 HB2 LEU 32 -8.980 -4.834 7.028 211 2HB LEU 32 HB1 LEU 32 -10.160 -6.142 6.684 212 HG LEU 32 HG LEU 32 -7.490 -5.680 5.213 213 1HD1 LEU 32 HD11 LEU 32 -8.226 -7.833 7.300 214 2HD1 LEU 32 HD12 LEU 32 -7.133 -6.423 7.561 215 3HD1 LEU 32 HD13 LEU 32 -6.676 -7.708 6.390 216 1HD2 LEU 32 HD21 LEU 32 -7.825 -7.952 4.234 217 2HD2 LEU 32 HD22 LEU 32 -9.084 -6.798 3.688 218 3HD2 LEU 32 HD23 LEU 32 -9.479 -8.033 4.951 219 1HN NH2 33 H1 NH2 33 -12.700 -4.831 5.510 220 2HN NH2 33 H2 NH2 33 -13.027 -3.369 6.381
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