NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633095 | 6e5i | 30497 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 HT1 ASN 1 -10.532 7.020 -0.928 2 H2 ASN 1 HT2 ASN 1 -9.451 7.713 -2.029 3 H3 ASN 1 HT3 ASN 1 -9.134 7.784 -0.371 4 HA ASN 1 HA ASN 1 -8.815 5.447 -0.241 5 HB2 ASN 1 HB2 ASN 1 -9.517 5.496 -3.181 6 HB3 ASN 1 HB1 ASN 1 -8.853 4.097 -2.345 7 HD21 ASN 1 HD21 ASN 1 -10.160 2.908 -0.981 8 HD22 ASN 1 HD22 ASN 1 -11.871 3.145 -0.885 9 H ASP 2 HN ASP 2 -7.351 7.918 -0.637 10 HA ASP 2 HA ASP 2 -5.206 7.227 -2.475 11 HB2 ASP 2 HB2 ASP 2 -5.705 9.692 -0.816 12 HB3 ASP 2 HB1 ASP 2 -4.272 9.459 -1.802 13 H LYS 3 HN LYS 3 -5.921 6.515 0.679 14 HA LYS 3 HA LYS 3 -3.461 6.836 1.980 15 HB2 LYS 3 HB2 LYS 3 -5.517 6.194 3.169 16 HB3 LYS 3 HB1 LYS 3 -5.508 4.640 2.351 17 HG2 LYS 3 HG2 LYS 3 -3.422 4.050 3.451 18 HG3 LYS 3 HG1 LYS 3 -3.391 5.620 4.252 19 HD2 LYS 3 HD2 LYS 3 -5.482 5.077 5.399 20 HD3 LYS 3 HD1 LYS 3 -5.520 3.510 4.589 21 HE2 LYS 3 HE2 LYS 3 -4.662 3.338 6.881 22 HE3 LYS 3 HE1 LYS 3 -3.460 2.859 5.689 23 HZ1 LYS 3 HZ1 LYS 3 -3.584 5.505 7.026 24 HZ2 LYS 3 HZ2 LYS 3 -2.407 5.005 5.920 25 HZ3 LYS 3 HZ3 LYS 3 -2.519 4.256 7.431 26 H CYS 4 HN CYS 4 -4.619 4.517 -0.322 27 HA CYS 4 HA CYS 4 -2.595 2.606 -0.236 28 HB2 CYS 4 HB2 CYS 4 -4.608 2.337 -1.590 29 HB3 CYS 4 HB1 CYS 4 -4.128 3.689 -2.608 30 H LYS 5 HN LYS 5 -2.769 5.676 -1.989 31 HA LYS 5 HA LYS 5 -0.236 5.447 -3.247 32 HB2 LYS 5 HB2 LYS 5 -1.851 7.925 -2.603 33 HB3 LYS 5 HB1 LYS 5 -0.465 7.871 -3.679 34 HG2 LYS 5 HG2 LYS 5 -1.727 6.322 -5.150 35 HG3 LYS 5 HG1 LYS 5 -3.129 6.531 -4.099 36 HD2 LYS 5 HD2 LYS 5 -3.028 8.968 -4.516 37 HD3 LYS 5 HD1 LYS 5 -1.708 8.691 -5.650 38 HE2 LYS 5 HE2 LYS 5 -3.697 8.899 -6.929 39 HE3 LYS 5 HE1 LYS 5 -3.256 7.193 -6.935 40 HZ1 LYS 5 HZ1 LYS 5 -4.908 6.765 -5.271 41 HZ2 LYS 5 HZ2 LYS 5 -5.640 7.574 -6.559 42 HZ3 LYS 5 HZ3 LYS 5 -5.278 8.411 -5.130 43 H GLU 6 HN GLU 6 -1.394 6.923 -0.271 44 HA GLU 6 HA GLU 6 0.960 8.228 0.507 45 HB2 GLU 6 HB2 GLU 6 -1.241 7.009 2.181 46 HB3 GLU 6 HB1 GLU 6 0.015 8.057 2.819 47 HG2 GLU 6 HG2 GLU 6 -0.763 9.882 1.430 48 HG3 GLU 6 HG1 GLU 6 -1.982 8.839 0.707 49 H LEU 7 HN LEU 7 -0.204 4.959 1.177 50 HA LEU 7 HA LEU 7 1.996 4.137 2.740 51 HB2 LEU 7 HB2 LEU 7 0.121 2.510 1.024 52 HB3 LEU 7 HB1 LEU 7 1.234 1.841 2.200 53 HG LEU 7 HG LEU 7 -1.012 3.733 2.904 54 HD11 LEU 7 HD11 LEU 7 -0.897 0.731 3.138 55 HD12 LEU 7 HD12 LEU 7 -1.890 1.637 1.999 56 HD13 LEU 7 HD13 LEU 7 -2.191 1.770 3.730 57 HD21 LEU 7 HD21 LEU 7 -0.589 2.965 5.185 58 HD22 LEU 7 HD22 LEU 7 0.848 3.721 4.495 59 HD23 LEU 7 HD23 LEU 7 0.740 1.963 4.607 60 H LYS 8 HN LYS 8 1.307 3.925 -0.725 61 HA LYS 8 HA LYS 8 3.593 2.442 -1.424 62 HB2 LYS 8 HB2 LYS 8 1.577 2.840 -2.878 63 HB3 LYS 8 HB1 LYS 8 2.185 4.465 -3.171 64 HG2 LYS 8 HG2 LYS 8 4.252 3.478 -4.098 65 HG3 LYS 8 HG1 LYS 8 3.540 1.878 -3.897 66 HD2 LYS 8 HD2 LYS 8 3.211 2.518 -6.163 67 HD3 LYS 8 HD1 LYS 8 1.649 2.642 -5.355 68 HE2 LYS 8 HE2 LYS 8 1.864 5.028 -5.184 69 HE3 LYS 8 HE1 LYS 8 3.515 4.966 -5.801 70 HZ1 LYS 8 HZ1 LYS 8 1.075 4.211 -7.318 71 HZ2 LYS 8 HZ2 LYS 8 2.658 4.163 -7.909 72 HZ3 LYS 8 HZ3 LYS 8 1.951 5.644 -7.510 73 H LYS 9 HN LYS 9 3.087 5.873 -0.911 74 HA LYS 9 HA LYS 9 5.664 6.646 -1.889 75 HB2 LYS 9 HB2 LYS 9 3.733 8.085 -0.056 76 HB3 LYS 9 HB1 LYS 9 5.181 8.804 -0.745 77 HG2 LYS 9 HG2 LYS 9 4.290 8.570 -2.975 78 HG3 LYS 9 HG1 LYS 9 2.878 7.715 -2.351 79 HD2 LYS 9 HD2 LYS 9 2.268 9.733 -1.060 80 HD3 LYS 9 HD1 LYS 9 3.642 10.577 -1.776 81 HE2 LYS 9 HE2 LYS 9 2.671 10.183 -4.016 82 HE3 LYS 9 HE1 LYS 9 1.272 9.434 -3.248 83 HZ1 LYS 9 HZ1 LYS 9 0.841 11.543 -2.114 84 HZ2 LYS 9 HZ2 LYS 9 0.805 11.723 -3.792 85 HZ3 LYS 9 HZ3 LYS 9 2.149 12.252 -2.915 86 H ARG 10 HN ARG 10 4.286 6.007 1.300 87 HA ARG 10 HA ARG 10 6.540 6.680 2.826 88 HB2 ARG 10 HB2 ARG 10 4.353 6.444 3.835 89 HB3 ARG 10 HB1 ARG 10 4.292 4.745 3.393 90 HG2 ARG 10 HG2 ARG 10 6.177 4.287 4.887 91 HG3 ARG 10 HG1 ARG 10 6.216 5.993 5.345 92 HD2 ARG 10 HD2 ARG 10 4.021 5.834 6.319 93 HD3 ARG 10 HD1 ARG 10 3.829 4.188 5.722 94 HE ARG 10 HE ARG 10 6.006 3.935 7.247 95 HH11 ARG 10 HH11 ARG 10 3.002 5.212 9.590 96 HH12 ARG 10 HH12 ARG 10 2.938 5.495 7.881 97 HH21 ARG 10 HH21 ARG 10 6.092 3.561 9.496 98 HH22 ARG 10 HH22 ARG 10 4.795 4.107 10.507 99 H TYR 11 HN TYR 11 5.430 3.513 1.642 100 HA TYR 11 HA TYR 11 7.790 2.234 2.733 101 HB2 TYR 11 HB2 TYR 11 5.368 1.180 1.288 102 HB3 TYR 11 HB1 TYR 11 6.713 0.155 1.770 103 HD1 TYR 11 HD1 TYR 11 7.166 -0.275 4.128 104 HD2 TYR 11 HD2 TYR 11 3.811 2.043 2.920 105 HE1 TYR 11 HE1 TYR 11 6.188 -0.533 6.370 106 HE2 TYR 11 HE2 TYR 11 2.828 1.795 5.156 107 HH TYR 11 HH TYR 11 2.941 0.393 7.083 108 H ORN 12 HT1 ORN 12 11.676 0.458 -4.257 109 HA ORN 12 HA ORN 12 10.420 1.530 -2.519 110 HB2 ORN 12 HB1 ORN 12 8.214 1.691 -4.584 111 HB3 ORN 12 HB2 ORN 12 9.195 3.062 -4.084 112 HG2 ORN 12 HG1 ORN 12 7.516 1.436 -2.194 113 HG3 ORN 12 HG2 ORN 12 6.959 2.909 -2.986 114 HD2 ORN 12 HD1 ORN 12 8.518 4.239 -1.857 115 HD3 ORN 12 HD2 ORN 12 9.488 2.852 -1.378 116 HE1 ORN 12 HE ORN 12 7.112 3.848 -0.072 117 H CYS 13 HN CYS 13 9.231 0.190 -1.158 118 HA CYS 13 HA CYS 13 9.060 -2.552 -1.886 119 HB2 CYS 13 HB2 CYS 13 7.911 -1.083 0.498 120 HB3 CYS 13 HB1 CYS 13 8.037 -2.831 0.346 121 H GLU 14 HN GLU 14 7.226 -3.826 -2.261 122 HA GLU 14 HA GLU 14 5.257 -2.309 -3.751 123 HB2 GLU 14 HB2 GLU 14 5.797 -5.260 -3.511 124 HB3 GLU 14 HB1 GLU 14 4.421 -4.626 -4.395 125 HG2 GLU 14 HG2 GLU 14 6.024 -3.326 -5.798 126 HG3 GLU 14 HG1 GLU 14 7.334 -4.188 -4.991 127 H VAL 15 HN VAL 15 3.732 -1.414 -2.581 128 HA VAL 15 HA VAL 15 2.403 -2.890 -0.463 129 HB VAL 15 HB VAL 15 1.851 -0.121 -1.548 130 HG11 VAL 15 HG11 VAL 15 0.534 0.188 0.511 131 HG12 VAL 15 HG12 VAL 15 0.781 -1.515 0.901 132 HG13 VAL 15 HG13 VAL 15 -0.136 -1.065 -0.536 133 HG21 VAL 15 HG21 VAL 15 2.915 0.667 0.522 134 HG22 VAL 15 HG22 VAL 15 4.032 -0.244 -0.494 135 HG23 VAL 15 HG23 VAL 15 3.321 -0.999 0.932 136 H ARG 16 HN ARG 16 0.948 -4.341 -1.054 137 HA ARG 16 HA ARG 16 -0.561 -4.009 -3.515 138 HB2 ARG 16 HB2 ARG 16 0.298 -6.222 -3.102 139 HB3 ARG 16 HB1 ARG 16 -0.435 -6.256 -1.506 140 HG2 ARG 16 HG2 ARG 16 -2.667 -6.098 -2.616 141 HG3 ARG 16 HG1 ARG 16 -1.837 -6.303 -4.159 142 HD2 ARG 16 HD2 ARG 16 -1.068 -8.467 -3.547 143 HD3 ARG 16 HD1 ARG 16 -1.591 -8.249 -1.878 144 HE ARG 16 HE ARG 16 -3.819 -7.988 -3.566 145 HH11 ARG 16 HH11 ARG 16 -1.568 -10.450 -2.509 146 HH12 ARG 16 HH12 ARG 16 -2.724 -11.736 -2.625 147 HH21 ARG 16 HH21 ARG 16 -4.880 -11.289 -3.307 148 HH22 ARG 16 HH22 ARG 16 -5.352 -9.661 -3.702 149 H CYS 17 HN CYS 17 -2.162 -2.610 -3.332 150 HA CYS 17 HA CYS 17 -3.821 -2.523 -0.959 151 HB2 CYS 17 HB2 CYS 17 -4.064 -0.999 -3.559 152 HB3 CYS 17 HB1 CYS 17 -4.913 -0.640 -2.059 153 H ASP 18 HN ASP 18 -4.937 -4.408 -0.904 154 HA ASP 18 HA ASP 18 -6.587 -5.092 -3.248 155 HB2 ASP 18 HB2 ASP 18 -4.908 -6.807 -2.432 156 HB3 ASP 18 HB1 ASP 18 -5.851 -6.918 -0.953 157 HA DPR 19 HA DPR 19 -10.338 -4.530 -0.877 158 HB2 DPR 19 HB1 DPR 19 -10.235 -1.749 -1.840 159 HB3 DPR 19 HB2 DPR 19 -11.498 -2.965 -2.042 160 HG2 DPR 19 HG1 DPR 19 -9.920 -2.228 -4.079 161 HG3 DPR 19 HG2 DPR 19 -10.491 -3.896 -3.897 162 HD2 DPR 19 HD1 DPR 19 -7.804 -2.733 -3.282 163 HD3 DPR 19 HD2 DPR 19 -8.226 -4.314 -3.975 164 HA PRO 20 HA PRO 20 -9.269 -1.808 2.549 165 HB2 PRO 20 HB2 PRO 20 -10.132 -3.385 4.508 166 HB3 PRO 20 HB1 PRO 20 -11.280 -2.595 3.420 167 HG2 PRO 20 HG2 PRO 20 -10.297 -5.419 3.408 168 HG3 PRO 20 HG1 PRO 20 -11.938 -4.805 3.141 169 HD2 PRO 20 HD2 PRO 20 -10.167 -5.513 1.130 170 HD3 PRO 20 HD1 PRO 20 -11.551 -4.424 0.931 171 H ARG 21 HN ARG 21 -7.746 -4.504 1.417 172 HA ARG 21 HA ARG 21 -6.019 -4.830 3.766 173 HB2 ARG 21 HB2 ARG 21 -6.192 -6.459 1.227 174 HB3 ARG 21 HB1 ARG 21 -5.098 -6.788 2.561 175 HG2 ARG 21 HG2 ARG 21 -7.044 -7.136 4.031 176 HG3 ARG 21 HG1 ARG 21 -8.107 -6.893 2.644 177 HD2 ARG 21 HD2 ARG 21 -6.001 -9.038 2.905 178 HD3 ARG 21 HD1 ARG 21 -7.735 -9.275 3.112 179 HE ARG 21 HE ARG 21 -7.419 -8.183 0.595 180 HH11 ARG 21 HH11 ARG 21 -6.298 -11.057 2.257 181 HH12 ARG 21 HH12 ARG 21 -6.253 -12.023 0.815 182 HH21 ARG 21 HH21 ARG 21 -7.353 -9.452 -1.301 183 HH22 ARG 21 HH22 ARG 21 -6.838 -11.115 -1.204 184 H TYR 22 HN TYR 22 -3.911 -4.314 3.749 185 HA TYR 22 HA TYR 22 -2.750 -3.317 1.245 186 HB2 TYR 22 HB2 TYR 22 -2.359 -2.068 3.975 187 HB3 TYR 22 HB1 TYR 22 -1.630 -1.530 2.466 188 HD1 TYR 22 HD1 TYR 22 -3.076 -0.578 0.677 189 HD2 TYR 22 HD2 TYR 22 -4.557 -1.417 4.572 190 HE1 TYR 22 HE1 TYR 22 -5.013 0.861 0.243 191 HE2 TYR 22 HE2 TYR 22 -6.499 0.022 4.152 192 HH TYR 22 HH TYR 22 -7.476 0.976 1.205 193 H GLU 23 HN GLU 23 -1.624 -5.155 0.889 194 HA GLU 23 HA GLU 23 -0.064 -6.351 3.036 195 HB2 GLU 23 HB2 GLU 23 -0.358 -7.226 0.160 196 HB3 GLU 23 HB1 GLU 23 0.355 -8.158 1.464 197 HG2 GLU 23 HG2 GLU 23 -2.525 -7.296 1.316 198 HG3 GLU 23 HG1 GLU 23 -1.912 -8.899 0.915 199 H VAL 24 HN VAL 24 1.864 -5.509 3.425 200 HA VAL 24 HA VAL 24 3.197 -4.011 1.320 201 HB VAL 24 HB VAL 24 3.900 -4.232 4.252 202 HG11 VAL 24 HG11 VAL 24 4.918 -2.369 2.107 203 HG12 VAL 24 HG12 VAL 24 5.827 -3.665 2.886 204 HG13 VAL 24 HG13 VAL 24 5.308 -2.265 3.824 205 HG21 VAL 24 HG21 VAL 24 2.447 -2.058 2.744 206 HG22 VAL 24 HG22 VAL 24 2.953 -1.968 4.430 207 HG23 VAL 24 HG23 VAL 24 1.741 -3.151 3.935 208 H HIS 25 HN HIS 25 4.455 -5.146 0.041 209 HA HIS 25 HA HIS 25 6.124 -7.298 1.100 210 HB2 HIS 25 HB2 HIS 25 4.900 -7.537 -1.092 211 HB3 HIS 25 HB1 HIS 25 5.914 -6.257 -1.733 212 HD1 HIS 25 HD1 HIS 25 5.694 -9.796 -1.648 213 HD2 HIS 25 HD2 HIS 25 8.822 -7.071 -1.480 214 HE1 HIS 25 HE1 HIS 25 7.750 -11.082 -2.303 215 HE2 HIS 25 HE2 HIS 25 9.600 -9.379 -2.341 216 H CYS 26 HN CYS 26 7.676 -6.291 2.299 217 HA CYS 26 HA CYS 26 9.438 -4.425 0.880 218 HB2 CYS 26 HB2 CYS 26 7.755 -3.266 2.421 219 HB3 CYS 26 HB1 CYS 26 8.617 -4.020 3.754 220 HN1 NH2 27 HN1 NH2 27 10.938 -6.053 0.653 221 HN2 NH2 27 HN2 NH2 27 11.809 -6.727 1.983 Start of MODEL 2 1 H1 ASN 1 HT1 ASN 1 -9.837 7.551 -2.207 2 H2 ASN 1 HT2 ASN 1 -9.402 8.290 -0.750 3 H3 ASN 1 HT3 ASN 1 -10.755 7.286 -0.813 4 HA ASN 1 HA ASN 1 -8.898 6.171 0.239 5 HB2 ASN 1 HB2 ASN 1 -9.616 5.080 -2.495 6 HB3 ASN 1 HB1 ASN 1 -8.875 4.147 -1.200 7 HD21 ASN 1 HD21 ASN 1 -10.117 3.548 0.576 8 HD22 ASN 1 HD22 ASN 1 -11.844 3.643 0.557 9 H ASP 2 HN ASP 2 -7.149 7.829 0.030 10 HA ASP 2 HA ASP 2 -5.332 7.408 -2.214 11 HB2 ASP 2 HB2 ASP 2 -5.232 9.355 0.092 12 HB3 ASP 2 HB1 ASP 2 -4.019 9.257 -1.175 13 H LYS 3 HN LYS 3 -5.872 5.602 0.294 14 HA LYS 3 HA LYS 3 -3.586 5.607 1.890 15 HB2 LYS 3 HB2 LYS 3 -5.469 3.338 1.267 16 HB3 LYS 3 HB1 LYS 3 -4.224 3.273 2.504 17 HG2 LYS 3 HG2 LYS 3 -5.341 5.304 3.528 18 HG3 LYS 3 HG1 LYS 3 -6.688 4.983 2.434 19 HD2 LYS 3 HD2 LYS 3 -6.831 2.689 3.365 20 HD3 LYS 3 HD1 LYS 3 -5.567 3.111 4.520 21 HE2 LYS 3 HE2 LYS 3 -8.290 4.385 4.285 22 HE3 LYS 3 HE1 LYS 3 -7.747 3.292 5.557 23 HZ1 LYS 3 HZ1 LYS 3 -6.067 4.954 6.164 24 HZ2 LYS 3 HZ2 LYS 3 -7.639 5.546 6.323 25 HZ3 LYS 3 HZ3 LYS 3 -6.694 6.010 5.003 26 H CYS 4 HN CYS 4 -4.222 3.919 -1.143 27 HA CYS 4 HA CYS 4 -1.992 2.204 -1.048 28 HB2 CYS 4 HB2 CYS 4 -3.425 3.363 -3.443 29 HB3 CYS 4 HB1 CYS 4 -2.249 2.060 -3.516 30 H LYS 5 HN LYS 5 -2.428 5.483 -2.223 31 HA LYS 5 HA LYS 5 0.204 5.738 -3.287 32 HB2 LYS 5 HB2 LYS 5 -1.879 7.783 -2.508 33 HB3 LYS 5 HB1 LYS 5 -0.337 8.206 -3.240 34 HG2 LYS 5 HG2 LYS 5 -0.908 6.924 -5.226 35 HG3 LYS 5 HG1 LYS 5 -2.439 6.448 -4.491 36 HD2 LYS 5 HD2 LYS 5 -3.164 8.757 -4.431 37 HD3 LYS 5 HD1 LYS 5 -1.604 9.286 -5.063 38 HE2 LYS 5 HE2 LYS 5 -3.574 7.511 -6.500 39 HE3 LYS 5 HE1 LYS 5 -3.332 9.230 -6.805 40 HZ1 LYS 5 HZ1 LYS 5 -1.345 7.065 -7.217 41 HZ2 LYS 5 HZ2 LYS 5 -1.015 8.710 -7.401 42 HZ3 LYS 5 HZ3 LYS 5 -2.132 7.955 -8.418 43 H GLU 6 HN GLU 6 -1.334 6.620 -0.222 44 HA GLU 6 HA GLU 6 0.857 8.008 0.863 45 HB2 GLU 6 HB2 GLU 6 -1.334 6.481 2.283 46 HB3 GLU 6 HB1 GLU 6 -0.216 7.587 3.067 47 HG2 GLU 6 HG2 GLU 6 -1.093 9.377 1.528 48 HG3 GLU 6 HG1 GLU 6 -2.349 8.240 1.055 49 H LEU 7 HN LEU 7 -0.095 4.625 1.025 50 HA LEU 7 HA LEU 7 2.018 3.812 2.737 51 HB2 LEU 7 HB2 LEU 7 0.251 2.254 0.854 52 HB3 LEU 7 HB1 LEU 7 1.369 1.516 1.983 53 HG LEU 7 HG LEU 7 -0.865 3.334 2.879 54 HD11 LEU 7 HD11 LEU 7 -2.134 1.322 3.424 55 HD12 LEU 7 HD12 LEU 7 -0.885 0.325 2.678 56 HD13 LEU 7 HD13 LEU 7 -1.837 1.432 1.689 57 HD21 LEU 7 HD21 LEU 7 0.971 3.007 4.458 58 HD22 LEU 7 HD22 LEU 7 0.780 1.258 4.321 59 HD23 LEU 7 HD23 LEU 7 -0.508 2.235 5.026 60 H LYS 8 HN LYS 8 1.550 3.695 -0.785 61 HA LYS 8 HA LYS 8 3.949 2.324 -1.349 62 HB2 LYS 8 HB2 LYS 8 2.045 2.528 -2.923 63 HB3 LYS 8 HB1 LYS 8 2.419 4.232 -3.125 64 HG2 LYS 8 HG2 LYS 8 4.541 3.692 -4.128 65 HG3 LYS 8 HG1 LYS 8 4.280 1.973 -3.827 66 HD2 LYS 8 HD2 LYS 8 2.310 2.030 -5.291 67 HD3 LYS 8 HD1 LYS 8 2.603 3.741 -5.605 68 HE2 LYS 8 HE2 LYS 8 3.454 2.386 -7.428 69 HE3 LYS 8 HE1 LYS 8 4.779 3.182 -6.581 70 HZ1 LYS 8 HZ1 LYS 8 5.275 1.140 -5.444 71 HZ2 LYS 8 HZ2 LYS 8 5.241 0.845 -7.106 72 HZ3 LYS 8 HZ3 LYS 8 3.942 0.368 -6.139 73 H LYS 9 HN LYS 9 3.210 5.716 -0.880 74 HA LYS 9 HA LYS 9 5.788 6.664 -1.654 75 HB2 LYS 9 HB2 LYS 9 3.550 7.856 -0.038 76 HB3 LYS 9 HB1 LYS 9 5.083 8.687 -0.237 77 HG2 LYS 9 HG2 LYS 9 3.228 7.859 -2.461 78 HG3 LYS 9 HG1 LYS 9 3.410 9.487 -1.814 79 HD2 LYS 9 HD2 LYS 9 5.510 7.866 -3.246 80 HD3 LYS 9 HD1 LYS 9 4.669 9.286 -3.864 81 HE2 LYS 9 HE2 LYS 9 6.566 9.203 -1.521 82 HE3 LYS 9 HE1 LYS 9 6.901 9.879 -3.112 83 HZ1 LYS 9 HZ1 LYS 9 4.877 10.877 -1.181 84 HZ2 LYS 9 HZ2 LYS 9 5.141 11.507 -2.726 85 HZ3 LYS 9 HZ3 LYS 9 6.354 11.615 -1.554 86 H ARG 10 HN ARG 10 4.273 5.891 1.450 87 HA ARG 10 HA ARG 10 6.388 6.643 3.108 88 HB2 ARG 10 HB2 ARG 10 4.219 6.231 4.038 89 HB3 ARG 10 HB1 ARG 10 4.231 4.567 3.473 90 HG2 ARG 10 HG2 ARG 10 6.061 4.050 4.998 91 HG3 ARG 10 HG1 ARG 10 6.059 5.721 5.566 92 HD2 ARG 10 HD2 ARG 10 3.919 5.478 6.551 93 HD3 ARG 10 HD1 ARG 10 3.636 3.942 5.736 94 HE ARG 10 HE ARG 10 5.764 3.325 7.189 95 HH11 ARG 10 HH11 ARG 10 2.960 4.615 9.759 96 HH12 ARG 10 HH12 ARG 10 2.939 5.169 8.116 97 HH21 ARG 10 HH21 ARG 10 5.804 2.605 9.359 98 HH22 ARG 10 HH22 ARG 10 4.595 3.166 10.467 99 H TYR 11 HN TYR 11 5.690 3.518 1.582 100 HA TYR 11 HA TYR 11 8.033 2.369 2.869 101 HB2 TYR 11 HB2 TYR 11 5.823 1.170 1.212 102 HB3 TYR 11 HB1 TYR 11 7.209 0.245 1.779 103 HD1 TYR 11 HD1 TYR 11 7.564 -0.096 4.198 104 HD2 TYR 11 HD2 TYR 11 4.046 1.771 2.703 105 HE1 TYR 11 HE1 TYR 11 6.455 -0.462 6.363 106 HE2 TYR 11 HE2 TYR 11 2.933 1.411 4.861 107 HH TYR 11 HH TYR 11 3.089 -0.018 6.806 108 H ORN 12 HT1 ORN 12 12.260 2.627 -4.053 109 HA ORN 12 HA ORN 12 11.101 1.950 -2.042 110 HB2 ORN 12 HB1 ORN 12 9.195 2.309 -4.360 111 HB3 ORN 12 HB2 ORN 12 10.133 3.619 -3.662 112 HG2 ORN 12 HG1 ORN 12 8.179 1.944 -2.103 113 HG3 ORN 12 HG2 ORN 12 7.777 3.483 -2.861 114 HD2 ORN 12 HD1 ORN 12 9.156 4.689 -1.434 115 HD3 ORN 12 HD2 ORN 12 10.096 3.274 -0.983 116 HE1 ORN 12 HE ORN 12 7.614 4.153 0.190 117 H CYS 13 HN CYS 13 9.461 0.640 -1.080 118 HA CYS 13 HA CYS 13 9.371 -2.047 -2.166 119 HB2 CYS 13 HB2 CYS 13 8.388 -0.877 0.441 120 HB3 CYS 13 HB1 CYS 13 8.321 -2.587 0.027 121 H GLU 14 HN GLU 14 7.317 -3.230 -2.283 122 HA GLU 14 HA GLU 14 5.428 -1.466 -3.668 123 HB2 GLU 14 HB2 GLU 14 5.980 -4.419 -3.893 124 HB3 GLU 14 HB1 GLU 14 4.627 -3.633 -4.698 125 HG2 GLU 14 HG2 GLU 14 7.542 -2.996 -5.113 126 HG3 GLU 14 HG1 GLU 14 6.515 -3.926 -6.202 127 H VAL 15 HN VAL 15 3.538 -1.042 -2.854 128 HA VAL 15 HA VAL 15 2.473 -2.757 -0.728 129 HB VAL 15 HB VAL 15 1.734 0.079 -1.471 130 HG11 VAL 15 HG11 VAL 15 0.782 -1.618 0.836 131 HG12 VAL 15 HG12 VAL 15 -0.173 -1.173 -0.579 132 HG13 VAL 15 HG13 VAL 15 0.368 0.071 0.546 133 HG21 VAL 15 HG21 VAL 15 3.221 -0.990 0.925 134 HG22 VAL 15 HG22 VAL 15 2.792 0.694 0.635 135 HG23 VAL 15 HG23 VAL 15 3.943 -0.118 -0.426 136 H ARG 16 HN ARG 16 0.742 -3.956 -1.103 137 HA ARG 16 HA ARG 16 -0.632 -3.624 -3.683 138 HB2 ARG 16 HB2 ARG 16 -0.458 -6.069 -1.919 139 HB3 ARG 16 HB1 ARG 16 -1.238 -5.984 -3.489 140 HG2 ARG 16 HG2 ARG 16 1.701 -5.568 -2.982 141 HG3 ARG 16 HG1 ARG 16 0.966 -7.046 -3.596 142 HD2 ARG 16 HD2 ARG 16 0.846 -4.350 -4.946 143 HD3 ARG 16 HD1 ARG 16 1.946 -5.656 -5.383 144 HE ARG 16 HE ARG 16 -0.789 -6.488 -5.416 145 HH11 ARG 16 HH11 ARG 16 1.641 -4.776 -7.260 146 HH12 ARG 16 HH12 ARG 16 0.928 -5.162 -8.793 147 HH21 ARG 16 HH21 ARG 16 -1.003 -6.407 -8.885 148 HH22 ARG 16 HH22 ARG 16 -1.735 -6.991 -7.423 149 H CYS 17 HN CYS 17 -2.833 -3.514 -3.768 150 HA CYS 17 HA CYS 17 -4.148 -3.061 -1.177 151 HB2 CYS 17 HB2 CYS 17 -4.774 -1.756 -3.828 152 HB3 CYS 17 HB1 CYS 17 -5.511 -1.375 -2.277 153 H ASP 18 HN ASP 18 -5.626 -4.548 -0.739 154 HA ASP 18 HA ASP 18 -7.326 -5.487 -2.950 155 HB2 ASP 18 HB2 ASP 18 -5.823 -7.299 -2.069 156 HB3 ASP 18 HB1 ASP 18 -6.605 -7.114 -0.503 157 HA DPR 19 HA DPR 19 -10.904 -4.228 -0.642 158 HB2 DPR 19 HB1 DPR 19 -10.310 -1.504 -1.602 159 HB3 DPR 19 HB2 DPR 19 -11.767 -2.478 -1.797 160 HG2 DPR 19 HG1 DPR 19 -10.074 -2.046 -3.832 161 HG3 DPR 19 HG2 DPR 19 -10.948 -3.574 -3.647 162 HD2 DPR 19 HD1 DPR 19 -8.089 -2.944 -3.079 163 HD3 DPR 19 HD2 DPR 19 -8.821 -4.438 -3.696 164 HA PRO 20 HA PRO 20 -9.693 -1.694 2.834 165 HB2 PRO 20 HB2 PRO 20 -10.440 -3.379 4.767 166 HB3 PRO 20 HB1 PRO 20 -11.632 -2.548 3.761 167 HG2 PRO 20 HG2 PRO 20 -10.603 -5.352 3.553 168 HG3 PRO 20 HG1 PRO 20 -12.268 -4.761 3.418 169 HD2 PRO 20 HD2 PRO 20 -10.674 -5.335 1.265 170 HD3 PRO 20 HD1 PRO 20 -12.006 -4.164 1.228 171 H ARG 21 HN ARG 21 -8.283 -4.644 1.853 172 HA ARG 21 HA ARG 21 -6.389 -4.639 4.092 173 HB2 ARG 21 HB2 ARG 21 -6.985 -6.684 1.966 174 HB3 ARG 21 HB1 ARG 21 -5.591 -6.804 3.027 175 HG2 ARG 21 HG2 ARG 21 -7.128 -6.791 4.970 176 HG3 ARG 21 HG1 ARG 21 -8.486 -6.822 3.842 177 HD2 ARG 21 HD2 ARG 21 -7.721 -8.937 2.935 178 HD3 ARG 21 HD1 ARG 21 -6.295 -8.889 3.968 179 HE ARG 21 HE ARG 21 -8.777 -8.785 5.418 180 HH11 ARG 21 HH11 ARG 21 -6.399 -10.891 3.948 181 HH12 ARG 21 HH12 ARG 21 -6.786 -12.245 4.960 182 HH21 ARG 21 HH21 ARG 21 -9.286 -10.571 6.753 183 HH22 ARG 21 HH22 ARG 21 -8.424 -12.062 6.553 184 H TYR 22 HN TYR 22 -4.222 -4.439 3.825 185 HA TYR 22 HA TYR 22 -3.216 -3.838 1.139 186 HB2 TYR 22 HB2 TYR 22 -2.674 -2.208 3.630 187 HB3 TYR 22 HB1 TYR 22 -1.864 -1.990 2.085 188 HD1 TYR 22 HD1 TYR 22 -2.948 -0.866 0.268 189 HD2 TYR 22 HD2 TYR 22 -5.047 -1.627 3.883 190 HE1 TYR 22 HE1 TYR 22 -4.709 0.689 -0.438 191 HE2 TYR 22 HE2 TYR 22 -6.817 -0.078 3.190 192 HH TYR 22 HH TYR 22 -7.078 1.863 1.686 193 H GLU 23 HN GLU 23 -1.295 -4.698 0.692 194 HA GLU 23 HA GLU 23 0.118 -6.110 2.854 195 HB2 GLU 23 HB2 GLU 23 0.042 -6.654 -0.112 196 HB3 GLU 23 HB1 GLU 23 1.114 -7.473 1.006 197 HG2 GLU 23 HG2 GLU 23 -0.817 -8.388 2.186 198 HG3 GLU 23 HG1 GLU 23 -1.892 -7.568 1.050 199 H VAL 24 HN VAL 24 2.245 -5.716 3.174 200 HA VAL 24 HA VAL 24 3.464 -3.679 1.450 201 HB VAL 24 HB VAL 24 4.111 -4.337 4.330 202 HG11 VAL 24 HG11 VAL 24 6.103 -3.667 3.079 203 HG12 VAL 24 HG12 VAL 24 5.627 -2.414 4.224 204 HG13 VAL 24 HG13 VAL 24 5.268 -2.222 2.509 205 HG21 VAL 24 HG21 VAL 24 2.804 -1.912 3.090 206 HG22 VAL 24 HG22 VAL 24 3.237 -2.085 4.790 207 HG23 VAL 24 HG23 VAL 24 2.004 -3.131 4.084 208 H HIS 25 HN HIS 25 4.491 -4.808 -0.051 209 HA HIS 25 HA HIS 25 6.135 -7.098 0.702 210 HB2 HIS 25 HB2 HIS 25 5.302 -5.948 -1.963 211 HB3 HIS 25 HB1 HIS 25 6.507 -7.218 -1.824 212 HD1 HIS 25 HD1 HIS 25 5.644 -9.551 -1.785 213 HD2 HIS 25 HD2 HIS 25 2.684 -6.774 -0.896 214 HE1 HIS 25 HE1 HIS 25 3.502 -10.861 -1.659 215 HE2 HIS 25 HE2 HIS 25 1.773 -9.200 -0.876 216 H CYS 26 HN CYS 26 7.845 -6.258 1.744 217 HA CYS 26 HA CYS 26 9.496 -4.309 0.297 218 HB2 CYS 26 HB2 CYS 26 8.092 -3.296 2.142 219 HB3 CYS 26 HB1 CYS 26 9.000 -4.284 3.278 220 HN1 NH2 27 HN1 NH2 27 10.807 -6.058 -0.343 221 HN2 NH2 27 HN2 NH2 27 11.872 -6.848 0.764 Start of MODEL 3 1 H1 ASN 1 HT1 ASN 1 -5.615 3.769 -6.023 2 H2 ASN 1 HT2 ASN 1 -6.377 5.165 -6.596 3 H3 ASN 1 HT3 ASN 1 -7.300 3.814 -6.176 4 HA ASN 1 HA ASN 1 -7.451 5.507 -4.484 5 HB2 ASN 1 HB2 ASN 1 -5.881 3.046 -3.695 6 HB3 ASN 1 HB1 ASN 1 -6.645 4.134 -2.541 7 HD21 ASN 1 HD21 ASN 1 -7.124 1.303 -3.066 8 HD22 ASN 1 HD22 ASN 1 -8.808 1.178 -3.446 9 H ASP 2 HN ASP 2 -6.536 7.202 -3.544 10 HA ASP 2 HA ASP 2 -3.805 7.850 -4.081 11 HB2 ASP 2 HB2 ASP 2 -5.595 9.554 -3.954 12 HB3 ASP 2 HB1 ASP 2 -5.767 9.225 -2.235 13 H LYS 3 HN LYS 3 -5.543 6.475 -1.406 14 HA LYS 3 HA LYS 3 -3.608 6.752 0.612 15 HB2 LYS 3 HB2 LYS 3 -5.770 4.715 0.127 16 HB3 LYS 3 HB1 LYS 3 -4.694 4.605 1.512 17 HG2 LYS 3 HG2 LYS 3 -5.467 6.733 2.340 18 HG3 LYS 3 HG1 LYS 3 -6.464 6.966 0.902 19 HD2 LYS 3 HD2 LYS 3 -7.874 5.136 1.493 20 HD3 LYS 3 HD1 LYS 3 -6.785 4.641 2.788 21 HE2 LYS 3 HE2 LYS 3 -8.369 7.203 2.684 22 HE3 LYS 3 HE1 LYS 3 -8.750 5.791 3.667 23 HZ1 LYS 3 HZ1 LYS 3 -6.567 6.101 4.766 24 HZ2 LYS 3 HZ2 LYS 3 -7.642 7.377 5.028 25 HZ3 LYS 3 HZ3 LYS 3 -6.377 7.554 3.919 26 H CYS 4 HN CYS 4 -3.967 4.481 -2.019 27 HA CYS 4 HA CYS 4 -1.976 2.653 -1.241 28 HB2 CYS 4 HB2 CYS 4 -2.984 3.419 -3.984 29 HB3 CYS 4 HB1 CYS 4 -1.922 2.052 -3.665 30 H LYS 5 HN LYS 5 -1.895 5.737 -2.862 31 HA LYS 5 HA LYS 5 0.859 5.533 -3.640 32 HB2 LYS 5 HB2 LYS 5 -0.971 7.934 -3.504 33 HB3 LYS 5 HB1 LYS 5 0.631 7.924 -4.230 34 HG2 LYS 5 HG2 LYS 5 -0.189 6.179 -5.822 35 HG3 LYS 5 HG1 LYS 5 -1.808 6.432 -5.166 36 HD2 LYS 5 HD2 LYS 5 -1.644 8.817 -5.779 37 HD3 LYS 5 HD1 LYS 5 -0.070 8.497 -6.509 38 HE2 LYS 5 HE2 LYS 5 -1.663 8.497 -8.268 39 HE3 LYS 5 HE1 LYS 5 -1.207 6.819 -7.986 40 HZ1 LYS 5 HZ1 LYS 5 -3.602 7.117 -8.282 41 HZ2 LYS 5 HZ2 LYS 5 -3.655 8.111 -6.917 42 HZ3 LYS 5 HZ3 LYS 5 -3.232 6.481 -6.763 43 H GLU 6 HN GLU 6 -0.955 6.907 -0.956 44 HA GLU 6 HA GLU 6 1.217 8.226 0.291 45 HB2 GLU 6 HB2 GLU 6 -1.308 7.051 1.467 46 HB3 GLU 6 HB1 GLU 6 -0.159 8.011 2.385 47 HG2 GLU 6 HG2 GLU 6 -0.557 9.868 0.752 48 HG3 GLU 6 HG1 GLU 6 -1.868 8.901 0.078 49 H LEU 7 HN LEU 7 -0.135 4.983 0.666 50 HA LEU 7 HA LEU 7 1.709 4.110 2.617 51 HB2 LEU 7 HB2 LEU 7 0.024 2.610 0.624 52 HB3 LEU 7 HB1 LEU 7 0.990 1.816 1.850 53 HG LEU 7 HG LEU 7 -1.169 3.817 2.507 54 HD11 LEU 7 HD11 LEU 7 -2.581 1.896 3.054 55 HD12 LEU 7 HD12 LEU 7 -1.348 0.809 2.413 56 HD13 LEU 7 HD13 LEU 7 -2.177 1.937 1.338 57 HD21 LEU 7 HD21 LEU 7 0.236 1.726 4.167 58 HD22 LEU 7 HD22 LEU 7 -1.040 2.806 4.723 59 HD23 LEU 7 HD23 LEU 7 0.519 3.464 4.240 60 H LYS 8 HN LYS 8 1.684 3.898 -0.914 61 HA LYS 8 HA LYS 8 4.082 2.495 -1.242 62 HB2 LYS 8 HB2 LYS 8 2.555 2.906 -3.101 63 HB3 LYS 8 HB1 LYS 8 2.843 4.636 -2.985 64 HG2 LYS 8 HG2 LYS 8 5.232 4.206 -3.547 65 HG3 LYS 8 HG1 LYS 8 4.805 2.518 -3.828 66 HD2 LYS 8 HD2 LYS 8 3.476 4.822 -5.242 67 HD3 LYS 8 HD1 LYS 8 4.887 3.979 -5.883 68 HE2 LYS 8 HE2 LYS 8 2.251 2.680 -5.205 69 HE3 LYS 8 HE1 LYS 8 2.750 3.166 -6.824 70 HZ1 LYS 8 HZ1 LYS 8 4.668 1.647 -6.587 71 HZ2 LYS 8 HZ2 LYS 8 3.180 0.846 -6.537 72 HZ3 LYS 8 HZ3 LYS 8 4.039 1.115 -5.109 73 H LYS 9 HN LYS 9 3.442 5.938 -0.798 74 HA LYS 9 HA LYS 9 6.077 6.869 -1.079 75 HB2 LYS 9 HB2 LYS 9 4.196 8.393 -1.095 76 HB3 LYS 9 HB1 LYS 9 3.758 7.938 0.543 77 HG2 LYS 9 HG2 LYS 9 5.972 8.867 1.279 78 HG3 LYS 9 HG1 LYS 9 6.156 9.511 -0.353 79 HD2 LYS 9 HD2 LYS 9 3.815 10.107 1.451 80 HD3 LYS 9 HD1 LYS 9 5.237 11.139 1.304 81 HE2 LYS 9 HE2 LYS 9 3.432 10.369 -0.983 82 HE3 LYS 9 HE1 LYS 9 3.312 11.877 -0.079 83 HZ1 LYS 9 HZ1 LYS 9 4.552 12.220 -2.093 84 HZ2 LYS 9 HZ2 LYS 9 5.632 10.982 -1.702 85 HZ3 LYS 9 HZ3 LYS 9 5.593 12.394 -0.771 86 H ARG 10 HN ARG 10 4.257 5.790 1.757 87 HA ARG 10 HA ARG 10 6.210 6.339 3.688 88 HB2 ARG 10 HB2 ARG 10 3.927 5.910 4.334 89 HB3 ARG 10 HB1 ARG 10 3.995 4.287 3.661 90 HG2 ARG 10 HG2 ARG 10 5.699 3.686 5.329 91 HG3 ARG 10 HG1 ARG 10 5.556 5.303 6.024 92 HD2 ARG 10 HD2 ARG 10 3.298 4.898 6.684 93 HD3 ARG 10 HD1 ARG 10 3.242 3.389 5.772 94 HE ARG 10 HE ARG 10 5.260 2.953 7.507 95 HH11 ARG 10 HH11 ARG 10 1.830 3.384 9.549 96 HH12 ARG 10 HH12 ARG 10 1.962 4.058 7.955 97 HH21 ARG 10 HH21 ARG 10 5.078 2.066 9.580 98 HH22 ARG 10 HH22 ARG 10 3.596 2.246 10.469 99 H TYR 11 HN TYR 11 5.520 3.355 1.887 100 HA TYR 11 HA TYR 11 7.689 2.016 3.272 101 HB2 TYR 11 HB2 TYR 11 5.611 1.050 1.323 102 HB3 TYR 11 HB1 TYR 11 6.909 0.029 1.925 103 HD1 TYR 11 HD1 TYR 11 6.985 -0.621 4.309 104 HD2 TYR 11 HD2 TYR 11 3.754 1.631 2.698 105 HE1 TYR 11 HE1 TYR 11 5.632 -1.153 6.290 106 HE2 TYR 11 HE2 TYR 11 2.394 1.108 4.677 107 HH TYR 11 HH TYR 11 3.680 -0.146 7.516 108 H ORN 12 HT1 ORN 12 11.381 1.292 -4.438 109 HA ORN 12 HA ORN 12 10.888 1.611 -1.544 110 HB2 ORN 12 HB1 ORN 12 9.302 2.666 -3.894 111 HB3 ORN 12 HB2 ORN 12 10.422 3.636 -2.946 112 HG2 ORN 12 HG1 ORN 12 8.022 2.231 -1.798 113 HG3 ORN 12 HG2 ORN 12 8.034 3.917 -2.317 114 HD2 ORN 12 HD1 ORN 12 9.445 4.569 -0.615 115 HD3 ORN 12 HD2 ORN 12 10.091 2.951 -0.384 116 HE1 ORN 12 HE ORN 12 7.604 4.006 0.705 117 H CYS 13 HN CYS 13 9.095 0.460 -0.752 118 HA CYS 13 HA CYS 13 8.673 -2.032 -2.097 119 HB2 CYS 13 HB2 CYS 13 7.365 -0.942 0.391 120 HB3 CYS 13 HB1 CYS 13 7.294 -2.608 -0.157 121 H GLU 14 HN GLU 14 6.771 -2.877 -2.853 122 HA GLU 14 HA GLU 14 4.802 -0.929 -3.781 123 HB2 GLU 14 HB2 GLU 14 5.693 -2.300 -5.529 124 HB3 GLU 14 HB1 GLU 14 5.489 -3.761 -4.573 125 HG2 GLU 14 HG2 GLU 14 3.017 -3.381 -4.697 126 HG3 GLU 14 HG1 GLU 14 3.346 -2.093 -5.856 127 H VAL 15 HN VAL 15 3.161 -0.670 -2.370 128 HA VAL 15 HA VAL 15 2.353 -2.849 -0.669 129 HB VAL 15 HB VAL 15 0.711 -1.359 0.289 130 HG11 VAL 15 HG11 VAL 15 2.174 0.396 1.135 131 HG12 VAL 15 HG12 VAL 15 3.326 0.075 -0.159 132 HG13 VAL 15 HG13 VAL 15 3.011 -1.153 1.066 133 HG21 VAL 15 HG21 VAL 15 0.377 0.915 -0.504 134 HG22 VAL 15 HG22 VAL 15 -0.035 -0.256 -1.758 135 HG23 VAL 15 HG23 VAL 15 1.490 0.626 -1.841 136 H ARG 16 HN ARG 16 0.541 -4.054 -0.834 137 HA ARG 16 HA ARG 16 -0.791 -3.975 -3.444 138 HB2 ARG 16 HB2 ARG 16 -0.916 -6.206 -1.419 139 HB3 ARG 16 HB1 ARG 16 -1.391 -6.263 -3.105 140 HG2 ARG 16 HG2 ARG 16 0.994 -5.919 -3.721 141 HG3 ARG 16 HG1 ARG 16 1.401 -6.070 -2.010 142 HD2 ARG 16 HD2 ARG 16 1.726 -8.212 -2.978 143 HD3 ARG 16 HD1 ARG 16 0.236 -8.298 -2.040 144 HE ARG 16 HE ARG 16 0.345 -8.033 -4.980 145 HH11 ARG 16 HH11 ARG 16 -1.283 -9.145 -2.063 146 HH12 ARG 16 HH12 ARG 16 -2.506 -10.000 -2.945 147 HH21 ARG 16 HH21 ARG 16 -2.496 -10.019 -5.237 148 HH22 ARG 16 HH22 ARG 16 -1.257 -9.169 -6.110 149 H CYS 17 HN CYS 17 -2.615 -2.877 -3.416 150 HA CYS 17 HA CYS 17 -4.161 -2.660 -0.977 151 HB2 CYS 17 HB2 CYS 17 -4.627 -1.462 -3.715 152 HB3 CYS 17 HB1 CYS 17 -5.511 -1.050 -2.248 153 H ASP 18 HN ASP 18 -5.310 -4.392 -0.534 154 HA ASP 18 HA ASP 18 -6.834 -5.685 -2.701 155 HB2 ASP 18 HB2 ASP 18 -5.046 -7.110 -1.783 156 HB3 ASP 18 HB1 ASP 18 -5.709 -6.904 -0.169 157 HA DPR 19 HA DPR 19 -10.608 -5.014 -0.463 158 HB2 DPR 19 HB1 DPR 19 -11.187 -2.462 -1.299 159 HB3 DPR 19 HB2 DPR 19 -11.551 -3.927 -2.212 160 HG2 DPR 19 HG1 DPR 19 -9.286 -2.010 -2.518 161 HG3 DPR 19 HG2 DPR 19 -10.211 -2.865 -3.766 162 HD2 DPR 19 HD1 DPR 19 -7.736 -3.641 -3.006 163 HD3 DPR 19 HD2 DPR 19 -8.976 -4.802 -3.527 164 HA PRO 20 HA PRO 20 -9.852 -2.092 2.866 165 HB2 PRO 20 HB2 PRO 20 -10.579 -3.697 4.870 166 HB3 PRO 20 HB1 PRO 20 -11.781 -3.023 3.764 167 HG2 PRO 20 HG2 PRO 20 -10.577 -5.759 3.816 168 HG3 PRO 20 HG1 PRO 20 -12.259 -5.283 3.527 169 HD2 PRO 20 HD2 PRO 20 -10.437 -5.901 1.541 170 HD3 PRO 20 HD1 PRO 20 -11.885 -4.903 1.310 171 H ARG 21 HN ARG 21 -8.089 -4.735 1.897 172 HA ARG 21 HA ARG 21 -6.331 -4.690 4.255 173 HB2 ARG 21 HB2 ARG 21 -6.597 -6.726 2.039 174 HB3 ARG 21 HB1 ARG 21 -5.417 -6.818 3.339 175 HG2 ARG 21 HG2 ARG 21 -7.188 -7.006 4.978 176 HG3 ARG 21 HG1 ARG 21 -8.404 -6.815 3.715 177 HD2 ARG 21 HD2 ARG 21 -6.405 -9.067 3.886 178 HD3 ARG 21 HD1 ARG 21 -8.088 -9.165 4.390 179 HE ARG 21 HE ARG 21 -7.223 -8.708 1.598 180 HH11 ARG 21 HH11 ARG 21 -9.478 -10.051 3.931 181 HH12 ARG 21 HH12 ARG 21 -10.444 -10.832 2.724 182 HH21 ARG 21 HH21 ARG 21 -8.473 -9.733 0.033 183 HH22 ARG 21 HH22 ARG 21 -9.872 -10.661 0.505 184 H TYR 22 HN TYR 22 -4.114 -4.455 4.004 185 HA TYR 22 HA TYR 22 -3.127 -3.719 1.344 186 HB2 TYR 22 HB2 TYR 22 -2.602 -2.166 3.889 187 HB3 TYR 22 HB1 TYR 22 -1.808 -1.878 2.347 188 HD1 TYR 22 HD1 TYR 22 -2.992 -0.817 0.516 189 HD2 TYR 22 HD2 TYR 22 -4.902 -1.506 4.252 190 HE1 TYR 22 HE1 TYR 22 -4.792 0.724 -0.129 191 HE2 TYR 22 HE2 TYR 22 -6.711 0.029 3.619 192 HH TYR 22 HH TYR 22 -7.032 1.958 2.062 193 H GLU 23 HN GLU 23 -1.314 -4.747 0.856 194 HA GLU 23 HA GLU 23 0.198 -6.016 3.051 195 HB2 GLU 23 HB2 GLU 23 -0.030 -6.919 0.174 196 HB3 GLU 23 HB1 GLU 23 0.843 -7.750 1.451 197 HG2 GLU 23 HG2 GLU 23 -1.250 -8.121 2.649 198 HG3 GLU 23 HG1 GLU 23 -2.130 -7.295 1.364 199 H VAL 24 HN VAL 24 2.556 -6.295 2.581 200 HA VAL 24 HA VAL 24 3.537 -3.977 1.051 201 HB VAL 24 HB VAL 24 4.772 -5.201 3.524 202 HG11 VAL 24 HG11 VAL 24 6.311 -3.301 3.450 203 HG12 VAL 24 HG12 VAL 24 5.572 -2.755 1.945 204 HG13 VAL 24 HG13 VAL 24 6.448 -4.286 1.993 205 HG21 VAL 24 HG21 VAL 24 2.720 -3.971 4.020 206 HG22 VAL 24 HG22 VAL 24 3.337 -2.573 3.141 207 HG23 VAL 24 HG23 VAL 24 4.133 -3.104 4.623 208 H HIS 25 HN HIS 25 4.305 -4.702 -0.792 209 HA HIS 25 HA HIS 25 5.861 -7.195 -0.839 210 HB2 HIS 25 HB2 HIS 25 3.894 -7.270 -2.257 211 HB3 HIS 25 HB1 HIS 25 4.329 -5.748 -3.012 212 HD1 HIS 25 HD1 HIS 25 4.754 -6.354 -5.376 213 HD2 HIS 25 HD2 HIS 25 6.601 -8.989 -2.731 214 HE1 HIS 25 HE1 HIS 25 6.114 -7.916 -6.800 215 HE2 HIS 25 HE2 HIS 25 7.027 -9.628 -5.195 216 H CYS 26 HN CYS 26 7.842 -6.345 -0.244 217 HA CYS 26 HA CYS 26 8.949 -4.070 -1.640 218 HB2 CYS 26 HB2 CYS 26 10.211 -5.943 0.371 219 HB3 CYS 26 HB1 CYS 26 10.923 -4.445 -0.217 220 HN1 NH2 27 HN1 NH2 27 9.021 -4.806 -3.770 221 HN2 NH2 27 HN2 NH2 27 10.171 -5.981 -4.300 Start of MODEL 4 1 H1 ASN 1 HT1 ASN 1 -7.786 6.253 -4.713 2 H2 ASN 1 HT2 ASN 1 -8.694 4.835 -4.575 3 H3 ASN 1 HT3 ASN 1 -7.011 4.751 -4.705 4 HA ASN 1 HA ASN 1 -8.520 5.922 -2.448 5 HB2 ASN 1 HB2 ASN 1 -6.918 3.369 -2.697 6 HB3 ASN 1 HB1 ASN 1 -7.444 4.043 -1.162 7 HD21 ASN 1 HD21 ASN 1 -10.019 4.936 -2.142 8 HD22 ASN 1 HD22 ASN 1 -10.973 3.510 -2.362 9 H ASP 2 HN ASP 2 -7.440 7.566 -1.598 10 HA ASP 2 HA ASP 2 -4.790 8.228 -2.282 11 HB2 ASP 2 HB2 ASP 2 -4.958 10.002 -0.659 12 HB3 ASP 2 HB1 ASP 2 -6.495 9.868 -1.500 13 H LYS 3 HN LYS 3 -6.123 6.271 0.247 14 HA LYS 3 HA LYS 3 -3.973 6.199 2.023 15 HB2 LYS 3 HB2 LYS 3 -6.244 5.219 2.414 16 HB3 LYS 3 HB1 LYS 3 -5.820 3.912 1.317 17 HG2 LYS 3 HG2 LYS 3 -5.558 3.196 3.598 18 HG3 LYS 3 HG1 LYS 3 -3.982 3.277 2.813 19 HD2 LYS 3 HD2 LYS 3 -3.500 5.376 3.885 20 HD3 LYS 3 HD1 LYS 3 -5.126 5.449 4.564 21 HE2 LYS 3 HE2 LYS 3 -3.026 3.383 5.201 22 HE3 LYS 3 HE1 LYS 3 -3.491 4.733 6.230 23 HZ1 LYS 3 HZ1 LYS 3 -5.750 3.781 6.302 24 HZ2 LYS 3 HZ2 LYS 3 -4.582 2.766 6.979 25 HZ3 LYS 3 HZ3 LYS 3 -5.195 2.435 5.442 26 H CYS 4 HN CYS 4 -4.599 4.458 -0.959 27 HA CYS 4 HA CYS 4 -2.426 2.655 -0.808 28 HB2 CYS 4 HB2 CYS 4 -4.335 2.352 -2.354 29 HB3 CYS 4 HB1 CYS 4 -3.818 3.769 -3.259 30 H LYS 5 HN LYS 5 -2.828 5.866 -2.191 31 HA LYS 5 HA LYS 5 -0.293 6.104 -3.372 32 HB2 LYS 5 HB2 LYS 5 -2.094 7.628 -3.929 33 HB3 LYS 5 HB1 LYS 5 -2.175 8.200 -2.270 34 HG2 LYS 5 HG2 LYS 5 0.134 9.087 -2.526 35 HG3 LYS 5 HG1 LYS 5 0.066 8.633 -4.230 36 HD2 LYS 5 HD2 LYS 5 -1.823 10.106 -4.582 37 HD3 LYS 5 HD1 LYS 5 -1.864 10.501 -2.864 38 HE2 LYS 5 HE2 LYS 5 -0.786 12.289 -4.049 39 HE3 LYS 5 HE1 LYS 5 0.413 11.447 -3.074 40 HZ1 LYS 5 HZ1 LYS 5 1.268 11.926 -5.264 41 HZ2 LYS 5 HZ2 LYS 5 -0.012 11.096 -5.989 42 HZ3 LYS 5 HZ3 LYS 5 1.122 10.254 -5.059 43 H GLU 6 HN GLU 6 -1.487 7.047 -0.167 44 HA GLU 6 HA GLU 6 0.901 8.233 0.728 45 HB2 GLU 6 HB2 GLU 6 -1.328 6.946 2.310 46 HB3 GLU 6 HB1 GLU 6 -0.059 7.950 2.998 47 HG2 GLU 6 HG2 GLU 6 -2.102 8.830 0.972 48 HG3 GLU 6 HG1 GLU 6 -2.128 9.190 2.696 49 H LEU 7 HN LEU 7 -0.365 4.940 1.083 50 HA LEU 7 HA LEU 7 1.760 4.004 2.694 51 HB2 LEU 7 HB2 LEU 7 -0.156 2.521 0.903 52 HB3 LEU 7 HB1 LEU 7 0.947 1.743 2.020 53 HG LEU 7 HG LEU 7 -1.191 3.695 2.886 54 HD11 LEU 7 HD11 LEU 7 -2.454 1.725 3.611 55 HD12 LEU 7 HD12 LEU 7 -1.253 0.683 2.850 56 HD13 LEU 7 HD13 LEU 7 -2.241 1.760 1.862 57 HD21 LEU 7 HD21 LEU 7 0.702 3.421 4.431 58 HD22 LEU 7 HD22 LEU 7 0.428 1.678 4.437 59 HD23 LEU 7 HD23 LEU 7 -0.794 2.765 5.093 60 H LYS 8 HN LYS 8 1.213 3.927 -0.807 61 HA LYS 8 HA LYS 8 3.518 2.418 -1.437 62 HB2 LYS 8 HB2 LYS 8 1.666 2.672 -3.002 63 HB3 LYS 8 HB1 LYS 8 1.960 4.401 -3.104 64 HG2 LYS 8 HG2 LYS 8 4.167 3.938 -4.086 65 HG3 LYS 8 HG1 LYS 8 3.800 2.213 -4.042 66 HD2 LYS 8 HD2 LYS 8 1.903 2.563 -5.524 67 HD3 LYS 8 HD1 LYS 8 2.214 4.300 -5.534 68 HE2 LYS 8 HE2 LYS 8 3.087 3.269 -7.551 69 HE3 LYS 8 HE1 LYS 8 4.401 3.896 -6.559 70 HZ1 LYS 8 HZ1 LYS 8 3.533 1.060 -6.607 71 HZ2 LYS 8 HZ2 LYS 8 4.871 1.690 -5.787 72 HZ3 LYS 8 HZ3 LYS 8 4.847 1.677 -7.475 73 H LYS 9 HN LYS 9 2.933 5.853 -1.044 74 HA LYS 9 HA LYS 9 5.512 6.702 -1.903 75 HB2 LYS 9 HB2 LYS 9 3.671 8.240 -1.962 76 HB3 LYS 9 HB1 LYS 9 3.341 7.999 -0.256 77 HG2 LYS 9 HG2 LYS 9 5.436 9.110 0.310 78 HG3 LYS 9 HG1 LYS 9 5.772 9.348 -1.407 79 HD2 LYS 9 HD2 LYS 9 3.898 10.789 -1.658 80 HD3 LYS 9 HD1 LYS 9 3.283 10.372 -0.057 81 HE2 LYS 9 HE2 LYS 9 5.859 11.836 -0.616 82 HE3 LYS 9 HE1 LYS 9 4.348 12.588 -0.108 83 HZ1 LYS 9 HZ1 LYS 9 4.447 11.262 1.930 84 HZ2 LYS 9 HZ2 LYS 9 5.789 12.278 1.776 85 HZ3 LYS 9 HZ3 LYS 9 5.940 10.627 1.452 86 H ARG 10 HN ARG 10 4.102 5.718 1.119 87 HA ARG 10 HA ARG 10 6.175 6.639 2.832 88 HB2 ARG 10 HB2 ARG 10 3.892 6.295 3.597 89 HB3 ARG 10 HB1 ARG 10 3.997 4.587 3.217 90 HG2 ARG 10 HG2 ARG 10 5.696 4.300 4.944 91 HG3 ARG 10 HG1 ARG 10 5.587 6.026 5.327 92 HD2 ARG 10 HD2 ARG 10 3.269 5.782 5.954 93 HD3 ARG 10 HD1 ARG 10 3.275 4.094 5.457 94 HE ARG 10 HE ARG 10 5.211 4.213 7.365 95 HH11 ARG 10 HH11 ARG 10 1.562 4.876 8.914 96 HH12 ARG 10 HH12 ARG 10 1.853 5.188 7.233 97 HH21 ARG 10 HH21 ARG 10 4.839 3.808 9.584 98 HH22 ARG 10 HH22 ARG 10 3.263 4.086 10.254 99 H TYR 11 HN TYR 11 5.310 3.434 1.554 100 HA TYR 11 HA TYR 11 7.625 2.275 2.863 101 HB2 TYR 11 HB2 TYR 11 5.359 1.067 1.288 102 HB3 TYR 11 HB1 TYR 11 6.704 0.129 1.923 103 HD1 TYR 11 HD1 TYR 11 7.044 -0.024 4.398 104 HD2 TYR 11 HD2 TYR 11 3.584 1.755 2.682 105 HE1 TYR 11 HE1 TYR 11 5.872 -0.236 6.546 106 HE2 TYR 11 HE2 TYR 11 2.405 1.551 4.827 107 HH TYR 11 HH TYR 11 2.516 0.180 6.863 108 H ORN 12 HT1 ORN 12 10.866 0.205 -4.690 109 HA ORN 12 HA ORN 12 10.419 1.150 -1.922 110 HB2 ORN 12 HB1 ORN 12 8.570 1.311 -4.313 111 HB3 ORN 12 HB2 ORN 12 9.592 2.643 -3.791 112 HG2 ORN 12 HG1 ORN 12 7.538 1.338 -2.028 113 HG3 ORN 12 HG2 ORN 12 7.220 2.761 -3.019 114 HD2 ORN 12 HD1 ORN 12 8.596 4.111 -1.757 115 HD3 ORN 12 HD2 ORN 12 9.556 2.760 -1.165 116 HE1 ORN 12 HE ORN 12 7.072 3.750 -0.058 117 H CYS 13 HN CYS 13 8.904 -0.042 -0.733 118 HA CYS 13 HA CYS 13 8.821 -2.812 -1.251 119 HB2 CYS 13 HB2 CYS 13 7.075 -1.186 0.595 120 HB3 CYS 13 HB1 CYS 13 7.276 -2.930 0.645 121 H GLU 14 HN GLU 14 7.270 -4.123 -2.075 122 HA GLU 14 HA GLU 14 5.311 -2.915 -3.811 123 HB2 GLU 14 HB2 GLU 14 6.034 -5.780 -3.195 124 HB3 GLU 14 HB1 GLU 14 4.732 -5.338 -4.288 125 HG2 GLU 14 HG2 GLU 14 6.292 -4.230 -5.760 126 HG3 GLU 14 HG1 GLU 14 7.615 -4.551 -4.639 127 H VAL 15 HN VAL 15 3.959 -1.882 -2.310 128 HA VAL 15 HA VAL 15 2.482 -3.556 -0.460 129 HB VAL 15 HB VAL 15 3.037 -1.481 0.509 130 HG11 VAL 15 HG11 VAL 15 3.610 -0.231 -1.463 131 HG12 VAL 15 HG12 VAL 15 2.469 0.690 -0.480 132 HG13 VAL 15 HG13 VAL 15 1.913 -0.139 -1.936 133 HG21 VAL 15 HG21 VAL 15 0.739 -2.202 0.965 134 HG22 VAL 15 HG22 VAL 15 0.172 -1.235 -0.398 135 HG23 VAL 15 HG23 VAL 15 0.896 -0.445 1.003 136 H ARG 16 HN ARG 16 0.890 -4.692 -1.181 137 HA ARG 16 HA ARG 16 -0.504 -4.049 -3.614 138 HB2 ARG 16 HB2 ARG 16 -0.796 -6.265 -1.600 139 HB3 ARG 16 HB1 ARG 16 -1.902 -6.074 -2.945 140 HG2 ARG 16 HG2 ARG 16 -0.021 -6.317 -4.501 141 HG3 ARG 16 HG1 ARG 16 1.058 -6.567 -3.126 142 HD2 ARG 16 HD2 ARG 16 0.315 -8.680 -4.188 143 HD3 ARG 16 HD1 ARG 16 -0.121 -8.555 -2.485 144 HE ARG 16 HE ARG 16 -2.278 -7.610 -4.007 145 HH11 ARG 16 HH11 ARG 16 -0.592 -10.606 -3.339 146 HH12 ARG 16 HH12 ARG 16 -1.976 -11.603 -3.656 147 HH21 ARG 16 HH21 ARG 16 -3.977 -10.641 -4.283 148 HH22 ARG 16 HH22 ARG 16 -4.104 -8.917 -4.426 149 H CYS 17 HN CYS 17 -2.166 -2.768 -3.736 150 HA CYS 17 HA CYS 17 -3.684 -2.115 -1.333 151 HB2 CYS 17 HB2 CYS 17 -3.747 -0.868 -4.089 152 HB3 CYS 17 HB1 CYS 17 -4.563 -0.248 -2.656 153 H ASP 18 HN ASP 18 -4.908 -3.986 -1.141 154 HA ASP 18 HA ASP 18 -6.844 -4.472 -3.311 155 HB2 ASP 18 HB2 ASP 18 -5.537 -6.423 -1.415 156 HB3 ASP 18 HB1 ASP 18 -6.955 -6.826 -2.372 157 HA DPR 19 HA DPR 19 -10.272 -3.933 -0.613 158 HB2 DPR 19 HB1 DPR 19 -10.443 -1.188 -0.584 159 HB3 DPR 19 HB2 DPR 19 -11.096 -2.229 -1.852 160 HG2 DPR 19 HG1 DPR 19 -8.535 -0.694 -1.787 161 HG3 DPR 19 HG2 DPR 19 -9.660 -0.944 -3.133 162 HD2 DPR 19 HD1 DPR 19 -7.357 -2.315 -2.942 163 HD3 DPR 19 HD2 DPR 19 -8.834 -3.059 -3.595 164 HA PRO 20 HA PRO 20 -9.162 -2.307 3.392 165 HB2 PRO 20 HB2 PRO 20 -9.705 -4.528 4.803 166 HB3 PRO 20 HB1 PRO 20 -10.985 -3.508 4.138 167 HG2 PRO 20 HG2 PRO 20 -9.866 -6.073 3.081 168 HG3 PRO 20 HG1 PRO 20 -11.555 -5.549 3.187 169 HD2 PRO 20 HD2 PRO 20 -10.080 -5.414 0.897 170 HD3 PRO 20 HD1 PRO 20 -11.422 -4.312 1.262 171 H ARG 21 HN ARG 21 -7.605 -4.788 1.624 172 HA ARG 21 HA ARG 21 -5.595 -5.142 3.739 173 HB2 ARG 21 HB2 ARG 21 -6.176 -6.788 1.281 174 HB3 ARG 21 HB1 ARG 21 -4.771 -7.038 2.306 175 HG2 ARG 21 HG2 ARG 21 -6.381 -7.368 4.221 176 HG3 ARG 21 HG1 ARG 21 -7.663 -7.408 3.009 177 HD2 ARG 21 HD2 ARG 21 -6.963 -9.667 3.552 178 HD3 ARG 21 HD1 ARG 21 -6.530 -9.276 1.888 179 HE ARG 21 HE ARG 21 -4.279 -8.667 3.329 180 HH11 ARG 21 HH11 ARG 21 -6.252 -11.537 2.926 181 HH12 ARG 21 HH12 ARG 21 -4.939 -12.631 3.224 182 HH21 ARG 21 HH21 ARG 21 -2.558 -10.102 3.705 183 HH22 ARG 21 HH22 ARG 21 -2.835 -11.819 3.665 184 H TYR 22 HN TYR 22 -3.804 -4.069 3.606 185 HA TYR 22 HA TYR 22 -2.735 -3.429 0.946 186 HB2 TYR 22 HB2 TYR 22 -2.386 -1.876 3.519 187 HB3 TYR 22 HB1 TYR 22 -1.585 -1.508 1.995 188 HD1 TYR 22 HD1 TYR 22 -2.869 -0.630 0.098 189 HD2 TYR 22 HD2 TYR 22 -4.697 -1.339 3.867 190 HE1 TYR 22 HE1 TYR 22 -4.783 0.752 -0.580 191 HE2 TYR 22 HE2 TYR 22 -6.614 0.040 3.204 192 HH TYR 22 HH TYR 22 -7.030 1.949 1.562 193 H GLU 23 HN GLU 23 -1.376 -5.038 0.599 194 HA GLU 23 HA GLU 23 0.086 -6.215 2.830 195 HB2 GLU 23 HB2 GLU 23 -0.094 -7.096 -0.052 196 HB3 GLU 23 HB1 GLU 23 0.681 -7.989 1.243 197 HG2 GLU 23 HG2 GLU 23 -2.247 -7.324 1.067 198 HG3 GLU 23 HG1 GLU 23 -1.512 -8.890 0.723 199 H VAL 24 HN VAL 24 1.827 -5.045 3.322 200 HA VAL 24 HA VAL 24 3.453 -3.804 1.294 201 HB VAL 24 HB VAL 24 3.935 -4.050 4.268 202 HG11 VAL 24 HG11 VAL 24 5.985 -3.627 3.001 203 HG12 VAL 24 HG12 VAL 24 5.522 -2.224 3.965 204 HG13 VAL 24 HG13 VAL 24 5.220 -2.239 2.227 205 HG21 VAL 24 HG21 VAL 24 2.770 -1.772 2.667 206 HG22 VAL 24 HG22 VAL 24 3.122 -1.745 4.394 207 HG23 VAL 24 HG23 VAL 24 1.878 -2.824 3.764 208 H HIS 25 HN HIS 25 4.619 -5.139 0.072 209 HA HIS 25 HA HIS 25 6.140 -7.269 1.414 210 HB2 HIS 25 HB2 HIS 25 5.034 -7.024 -1.364 211 HB3 HIS 25 HB1 HIS 25 6.359 -8.124 -1.022 212 HD1 HIS 25 HD1 HIS 25 5.703 -10.394 -0.294 213 HD2 HIS 25 HD2 HIS 25 2.658 -7.633 0.305 214 HE1 HIS 25 HE1 HIS 25 3.729 -11.728 0.497 215 HE2 HIS 25 HE2 HIS 25 1.947 -10.024 0.997 216 H CYS 26 HN CYS 26 7.921 -6.120 2.022 217 HA CYS 26 HA CYS 26 9.389 -4.514 0.128 218 HB2 CYS 26 HB2 CYS 26 10.123 -5.408 2.923 219 HB3 CYS 26 HB1 CYS 26 10.985 -4.202 1.975 220 HN1 NH2 27 HN1 NH2 27 9.933 -5.993 -1.488 221 HN2 NH2 27 HN2 NH2 27 11.121 -7.230 -1.249 Start of MODEL 5 1 H1 ASN 1 HT1 ASN 1 -9.719 5.342 -2.990 2 H2 ASN 1 HT2 ASN 1 -8.755 6.630 -3.508 3 H3 ASN 1 HT3 ASN 1 -9.028 6.389 -1.859 4 HA ASN 1 HA ASN 1 -7.817 4.365 -1.866 5 HB2 ASN 1 HB2 ASN 1 -7.469 4.900 -4.822 6 HB3 ASN 1 HB1 ASN 1 -6.609 3.654 -3.927 7 HD21 ASN 1 HD21 ASN 1 -7.449 1.941 -5.051 8 HD22 ASN 1 HD22 ASN 1 -9.115 1.476 -4.962 9 H ASP 2 HN ASP 2 -7.455 7.228 -1.415 10 HA ASP 2 HA ASP 2 -4.899 8.014 -2.408 11 HB2 ASP 2 HB2 ASP 2 -5.079 9.900 -0.863 12 HB3 ASP 2 HB1 ASP 2 -6.582 9.679 -1.747 13 H LYS 3 HN LYS 3 -5.993 6.274 0.414 14 HA LYS 3 HA LYS 3 -3.658 6.594 1.966 15 HB2 LYS 3 HB2 LYS 3 -5.688 5.815 3.010 16 HB3 LYS 3 HB1 LYS 3 -5.742 4.407 1.963 17 HG2 LYS 3 HG2 LYS 3 -3.811 3.469 3.011 18 HG3 LYS 3 HG1 LYS 3 -3.546 4.938 3.948 19 HD2 LYS 3 HD2 LYS 3 -6.037 3.264 4.169 20 HD3 LYS 3 HD1 LYS 3 -4.621 3.029 5.193 21 HE2 LYS 3 HE2 LYS 3 -6.247 5.562 4.966 22 HE3 LYS 3 HE1 LYS 3 -6.301 4.412 6.300 23 HZ1 LYS 3 HZ1 LYS 3 -3.928 6.000 5.486 24 HZ2 LYS 3 HZ2 LYS 3 -3.981 4.896 6.763 25 HZ3 LYS 3 HZ3 LYS 3 -4.907 6.306 6.829 26 H CYS 4 HN CYS 4 -4.588 4.327 -0.535 27 HA CYS 4 HA CYS 4 -2.429 2.553 -0.335 28 HB2 CYS 4 HB2 CYS 4 -4.408 2.104 -1.721 29 HB3 CYS 4 HB1 CYS 4 -3.960 3.422 -2.797 30 H LYS 5 HN LYS 5 -2.811 5.623 -1.979 31 HA LYS 5 HA LYS 5 -0.314 5.633 -3.302 32 HB2 LYS 5 HB2 LYS 5 -2.155 7.071 -4.008 33 HB3 LYS 5 HB1 LYS 5 -2.113 7.914 -2.466 34 HG2 LYS 5 HG2 LYS 5 0.183 8.676 -3.006 35 HG3 LYS 5 HG1 LYS 5 0.011 7.935 -4.598 36 HD2 LYS 5 HD2 LYS 5 -1.903 9.367 -5.071 37 HD3 LYS 5 HD1 LYS 5 -1.764 10.095 -3.469 38 HE2 LYS 5 HE2 LYS 5 0.518 10.854 -4.071 39 HE3 LYS 5 HE1 LYS 5 0.261 10.232 -5.700 40 HZ1 LYS 5 HZ1 LYS 5 -0.177 12.588 -5.608 41 HZ2 LYS 5 HZ2 LYS 5 -1.315 12.371 -4.378 42 HZ3 LYS 5 HZ3 LYS 5 -1.615 11.755 -5.923 43 H GLU 6 HN GLU 6 -1.417 6.853 -0.165 44 HA GLU 6 HA GLU 6 1.047 8.130 0.474 45 HB2 GLU 6 HB2 GLU 6 -1.182 7.199 2.288 46 HB3 GLU 6 HB1 GLU 6 0.167 8.205 2.794 47 HG2 GLU 6 HG2 GLU 6 -0.595 9.841 1.000 48 HG3 GLU 6 HG1 GLU 6 -2.076 8.890 0.928 49 H LEU 7 HN LEU 7 -0.254 4.919 1.048 50 HA LEU 7 HA LEU 7 1.854 4.020 2.717 51 HB2 LEU 7 HB2 LEU 7 -0.056 2.531 0.920 52 HB3 LEU 7 HB1 LEU 7 1.080 1.738 1.993 53 HG LEU 7 HG LEU 7 -1.043 3.650 2.969 54 HD11 LEU 7 HD11 LEU 7 -1.131 0.636 2.845 55 HD12 LEU 7 HD12 LEU 7 -2.115 1.741 1.886 56 HD13 LEU 7 HD13 LEU 7 -2.317 1.674 3.635 57 HD21 LEU 7 HD21 LEU 7 0.866 3.332 4.461 58 HD22 LEU 7 HD22 LEU 7 0.640 1.584 4.383 59 HD23 LEU 7 HD23 LEU 7 -0.593 2.602 5.126 60 H LYS 8 HN LYS 8 1.279 3.877 -0.759 61 HA LYS 8 HA LYS 8 3.599 2.462 -1.464 62 HB2 LYS 8 HB2 LYS 8 1.593 2.878 -2.914 63 HB3 LYS 8 HB1 LYS 8 2.127 4.539 -3.100 64 HG2 LYS 8 HG2 LYS 8 3.891 2.247 -3.877 65 HG3 LYS 8 HG1 LYS 8 2.648 2.860 -4.965 66 HD2 LYS 8 HD2 LYS 8 3.666 5.104 -4.809 67 HD3 LYS 8 HD1 LYS 8 4.935 4.433 -3.785 68 HE2 LYS 8 HE2 LYS 8 5.693 4.638 -6.090 69 HE3 LYS 8 HE1 LYS 8 5.615 2.947 -5.601 70 HZ1 LYS 8 HZ1 LYS 8 4.707 3.325 -7.823 71 HZ2 LYS 8 HZ2 LYS 8 3.534 4.358 -7.176 72 HZ3 LYS 8 HZ3 LYS 8 3.536 2.721 -6.766 73 H LYS 9 HN LYS 9 2.965 5.920 -1.089 74 HA LYS 9 HA LYS 9 5.515 6.814 -1.887 75 HB2 LYS 9 HB2 LYS 9 3.582 8.310 -1.737 76 HB3 LYS 9 HB1 LYS 9 3.520 8.078 0.002 77 HG2 LYS 9 HG2 LYS 9 5.740 9.122 0.201 78 HG3 LYS 9 HG1 LYS 9 5.737 9.402 -1.541 79 HD2 LYS 9 HD2 LYS 9 3.786 10.824 -1.341 80 HD3 LYS 9 HD1 LYS 9 3.688 10.486 0.387 81 HE2 LYS 9 HE2 LYS 9 4.712 12.659 -0.019 82 HE3 LYS 9 HE1 LYS 9 5.864 11.551 0.719 83 HZ1 LYS 9 HZ1 LYS 9 6.863 12.817 -1.079 84 HZ2 LYS 9 HZ2 LYS 9 5.726 12.212 -2.171 85 HZ3 LYS 9 HZ3 LYS 9 6.841 11.169 -1.451 86 H ARG 10 HN ARG 10 4.161 5.989 1.268 87 HA ARG 10 HA ARG 10 6.384 6.764 2.814 88 HB2 ARG 10 HB2 ARG 10 4.223 6.502 3.830 89 HB3 ARG 10 HB1 ARG 10 4.148 4.813 3.352 90 HG2 ARG 10 HG2 ARG 10 5.997 4.294 4.856 91 HG3 ARG 10 HG1 ARG 10 6.087 5.994 5.329 92 HD2 ARG 10 HD2 ARG 10 3.981 5.919 6.381 93 HD3 ARG 10 HD1 ARG 10 3.569 4.384 5.624 94 HE ARG 10 HE ARG 10 5.834 3.942 7.177 95 HH11 ARG 10 HH11 ARG 10 2.386 4.203 9.217 96 HH12 ARG 10 HH12 ARG 10 2.523 4.943 7.657 97 HH21 ARG 10 HH21 ARG 10 5.665 2.962 9.234 98 HH22 ARG 10 HH22 ARG 10 4.178 3.073 10.119 99 H TYR 11 HN TYR 11 5.385 3.563 1.617 100 HA TYR 11 HA TYR 11 7.739 2.372 2.818 101 HB2 TYR 11 HB2 TYR 11 5.394 1.204 1.342 102 HB3 TYR 11 HB1 TYR 11 6.752 0.241 1.910 103 HD1 TYR 11 HD1 TYR 11 7.193 0.037 4.334 104 HD2 TYR 11 HD2 TYR 11 3.699 1.953 2.851 105 HE1 TYR 11 HE1 TYR 11 6.143 -0.184 6.543 106 HE2 TYR 11 HE2 TYR 11 2.641 1.737 5.058 107 HH TYR 11 HH TYR 11 4.371 0.890 7.859 108 H ORN 12 HT1 ORN 12 10.782 0.404 -4.922 109 HA ORN 12 HA ORN 12 10.470 1.346 -2.135 110 HB2 ORN 12 HB1 ORN 12 8.449 1.370 -4.388 111 HB3 ORN 12 HB2 ORN 12 9.419 2.768 -3.947 112 HG2 ORN 12 HG1 ORN 12 7.563 1.354 -2.050 113 HG3 ORN 12 HG2 ORN 12 7.112 2.762 -3.008 114 HD2 ORN 12 HD1 ORN 12 8.552 4.167 -1.854 115 HD3 ORN 12 HD2 ORN 12 9.539 2.837 -1.264 116 HE1 ORN 12 HE ORN 12 7.095 3.842 -0.094 117 H CYS 13 HN CYS 13 8.910 0.127 -0.908 118 HA CYS 13 HA CYS 13 8.911 -2.669 -1.436 119 HB2 CYS 13 HB2 CYS 13 7.249 -1.065 0.511 120 HB3 CYS 13 HB1 CYS 13 7.391 -2.816 0.505 121 H GLU 14 HN GLU 14 7.129 -4.006 -1.914 122 HA GLU 14 HA GLU 14 5.338 -2.823 -3.851 123 HB2 GLU 14 HB2 GLU 14 5.513 -5.680 -2.889 124 HB3 GLU 14 HB1 GLU 14 4.653 -5.116 -4.312 125 HG2 GLU 14 HG2 GLU 14 6.750 -4.508 -5.361 126 HG3 GLU 14 HG1 GLU 14 7.635 -5.003 -3.916 127 H VAL 15 HN VAL 15 3.861 -1.607 -2.730 128 HA VAL 15 HA VAL 15 2.378 -2.820 -0.554 129 HB VAL 15 HB VAL 15 1.976 -0.125 -1.867 130 HG11 VAL 15 HG11 VAL 15 0.868 -1.245 0.705 131 HG12 VAL 15 HG12 VAL 15 -0.043 -0.946 -0.776 132 HG13 VAL 15 HG13 VAL 15 0.649 0.405 0.123 133 HG21 VAL 15 HG21 VAL 15 3.450 -0.903 0.642 134 HG22 VAL 15 HG22 VAL 15 3.044 0.753 0.199 135 HG23 VAL 15 HG23 VAL 15 4.137 -0.190 -0.817 136 H ARG 16 HN ARG 16 1.132 -4.411 -1.303 137 HA ARG 16 HA ARG 16 -0.383 -4.073 -3.756 138 HB2 ARG 16 HB2 ARG 16 -0.357 -6.397 -1.828 139 HB3 ARG 16 HB1 ARG 16 -1.071 -6.388 -3.431 140 HG2 ARG 16 HG2 ARG 16 1.861 -6.107 -2.803 141 HG3 ARG 16 HG1 ARG 16 1.064 -7.554 -3.414 142 HD2 ARG 16 HD2 ARG 16 1.265 -4.899 -4.836 143 HD3 ARG 16 HD1 ARG 16 2.208 -6.341 -5.199 144 HE ARG 16 HE ARG 16 -0.731 -6.336 -5.454 145 HH11 ARG 16 HH11 ARG 16 2.459 -6.867 -6.813 146 HH12 ARG 16 HH12 ARG 16 1.847 -7.545 -8.288 147 HH21 ARG 16 HH21 ARG 16 -0.414 -7.735 -8.623 148 HH22 ARG 16 HH22 ARG 16 -1.525 -7.207 -7.398 149 H CYS 17 HN CYS 17 -2.147 -2.912 -3.640 150 HA CYS 17 HA CYS 17 -3.650 -2.796 -1.144 151 HB2 CYS 17 HB2 CYS 17 -3.881 -1.130 -3.656 152 HB3 CYS 17 HB1 CYS 17 -4.753 -0.843 -2.155 153 H ASP 18 HN ASP 18 -5.138 -4.326 -0.961 154 HA ASP 18 HA ASP 18 -6.930 -4.771 -3.260 155 HB2 ASP 18 HB2 ASP 18 -5.523 -6.771 -2.660 156 HB3 ASP 18 HB1 ASP 18 -6.315 -6.786 -1.089 157 HA DPR 19 HA DPR 19 -10.414 -3.694 -0.791 158 HB2 DPR 19 HB1 DPR 19 -10.339 -0.964 -1.014 159 HB3 DPR 19 HB2 DPR 19 -10.997 -2.052 -2.239 160 HG2 DPR 19 HG1 DPR 19 -8.320 -0.734 -2.109 161 HG3 DPR 19 HG2 DPR 19 -9.373 -0.994 -3.509 162 HD2 DPR 19 HD1 DPR 19 -7.221 -2.537 -3.038 163 HD3 DPR 19 HD2 DPR 19 -8.703 -3.191 -3.766 164 HA PRO 20 HA PRO 20 -9.236 -1.850 3.112 165 HB2 PRO 20 HB2 PRO 20 -10.130 -3.829 4.681 166 HB3 PRO 20 HB1 PRO 20 -11.241 -2.732 3.851 167 HG2 PRO 20 HG2 PRO 20 -10.409 -5.507 3.102 168 HG3 PRO 20 HG1 PRO 20 -12.024 -4.780 3.076 169 HD2 PRO 20 HD2 PRO 20 -10.448 -5.038 0.857 170 HD3 PRO 20 HD1 PRO 20 -11.669 -3.766 1.053 171 H ARG 21 HN ARG 21 -7.859 -4.467 1.525 172 HA ARG 21 HA ARG 21 -6.076 -5.097 3.775 173 HB2 ARG 21 HB2 ARG 21 -6.576 -6.595 1.200 174 HB3 ARG 21 HB1 ARG 21 -5.409 -7.073 2.423 175 HG2 ARG 21 HG2 ARG 21 -7.230 -7.315 4.048 176 HG3 ARG 21 HG1 ARG 21 -8.391 -6.886 2.792 177 HD2 ARG 21 HD2 ARG 21 -6.523 -9.255 2.729 178 HD3 ARG 21 HD1 ARG 21 -8.238 -9.316 3.129 179 HE ARG 21 HE ARG 21 -7.842 -8.129 0.576 180 HH11 ARG 21 HH11 ARG 21 -7.825 -11.221 2.222 181 HH12 ARG 21 HH12 ARG 21 -8.234 -12.123 0.801 182 HH21 ARG 21 HH21 ARG 21 -8.394 -9.308 -1.299 183 HH22 ARG 21 HH22 ARG 21 -8.567 -11.039 -1.198 184 H TYR 22 HN TYR 22 -3.955 -4.674 3.685 185 HA TYR 22 HA TYR 22 -2.813 -3.723 1.155 186 HB2 TYR 22 HB2 TYR 22 -2.384 -2.404 3.846 187 HB3 TYR 22 HB1 TYR 22 -1.638 -1.928 2.325 188 HD1 TYR 22 HD1 TYR 22 -2.978 -0.848 0.572 189 HD2 TYR 22 HD2 TYR 22 -4.643 -1.803 4.364 190 HE1 TYR 22 HE1 TYR 22 -4.874 0.644 0.109 191 HE2 TYR 22 HE2 TYR 22 -6.539 -0.314 3.913 192 HH TYR 22 HH TYR 22 -7.276 0.857 0.877 193 H GLU 23 HN GLU 23 -1.204 -5.024 0.663 194 HA GLU 23 HA GLU 23 0.279 -6.333 2.840 195 HB2 GLU 23 HB2 GLU 23 0.029 -7.078 -0.075 196 HB3 GLU 23 HB1 GLU 23 1.023 -7.932 1.091 197 HG2 GLU 23 HG2 GLU 23 -1.963 -7.624 1.279 198 HG3 GLU 23 HG1 GLU 23 -1.127 -9.040 0.645 199 H VAL 24 HN VAL 24 2.010 -5.167 3.350 200 HA VAL 24 HA VAL 24 3.486 -3.749 1.286 201 HB VAL 24 HB VAL 24 3.965 -3.887 4.271 202 HG11 VAL 24 HG11 VAL 24 6.022 -3.423 3.044 203 HG12 VAL 24 HG12 VAL 24 5.477 -1.993 3.919 204 HG13 VAL 24 HG13 VAL 24 5.221 -2.111 2.179 205 HG21 VAL 24 HG21 VAL 24 1.875 -2.763 3.715 206 HG22 VAL 24 HG22 VAL 24 2.723 -1.727 2.568 207 HG23 VAL 24 HG23 VAL 24 3.068 -1.599 4.293 208 H HIS 25 HN HIS 25 4.466 -5.293 0.080 209 HA HIS 25 HA HIS 25 6.165 -7.254 1.449 210 HB2 HIS 25 HB2 HIS 25 4.527 -8.109 -0.207 211 HB3 HIS 25 HB1 HIS 25 5.307 -7.146 -1.449 212 HD1 HIS 25 HD1 HIS 25 7.172 -8.234 -2.704 213 HD2 HIS 25 HD2 HIS 25 6.280 -10.207 0.854 214 HE1 HIS 25 HE1 HIS 25 8.584 -10.319 -2.702 215 HE2 HIS 25 HE2 HIS 25 7.857 -11.589 -0.655 216 H CYS 26 HN CYS 26 8.005 -6.150 1.923 217 HA CYS 26 HA CYS 26 9.331 -4.540 -0.071 218 HB2 CYS 26 HB2 CYS 26 10.256 -5.422 2.672 219 HB3 CYS 26 HB1 CYS 26 11.066 -4.238 1.652 220 HN1 NH2 27 HN1 NH2 27 9.662 -6.072 -1.701 221 HN2 NH2 27 HN2 NH2 27 10.854 -7.318 -1.574 Start of MODEL 6 1 H1 ASN 1 HT1 ASN 1 -8.505 4.593 -4.107 2 H2 ASN 1 HT2 ASN 1 -8.572 5.884 -5.192 3 H3 ASN 1 HT3 ASN 1 -9.886 5.565 -4.180 4 HA ASN 1 HA ASN 1 -8.629 7.457 -3.397 5 HB2 ASN 1 HB2 ASN 1 -8.578 4.942 -1.734 6 HB3 ASN 1 HB1 ASN 1 -8.057 6.489 -1.082 7 HD21 ASN 1 HD21 ASN 1 -10.006 8.080 -2.483 8 HD22 ASN 1 HD22 ASN 1 -11.538 7.744 -1.755 9 H ASP 2 HN ASP 2 -6.668 8.283 -2.498 10 HA ASP 2 HA ASP 2 -4.362 7.163 -3.853 11 HB2 ASP 2 HB2 ASP 2 -3.264 9.264 -3.351 12 HB3 ASP 2 HB1 ASP 2 -4.863 9.583 -4.002 13 H LYS 3 HN LYS 3 -5.649 6.166 -1.216 14 HA LYS 3 HA LYS 3 -3.782 6.426 0.861 15 HB2 LYS 3 HB2 LYS 3 -5.744 4.224 0.213 16 HB3 LYS 3 HB1 LYS 3 -4.753 4.217 1.662 17 HG2 LYS 3 HG2 LYS 3 -5.790 6.308 2.384 18 HG3 LYS 3 HG1 LYS 3 -6.781 6.318 0.925 19 HD2 LYS 3 HD2 LYS 3 -7.854 4.253 1.604 20 HD3 LYS 3 HD1 LYS 3 -6.804 4.147 3.020 21 HE2 LYS 3 HE2 LYS 3 -7.755 6.229 3.878 22 HE3 LYS 3 HE1 LYS 3 -8.796 6.341 2.462 23 HZ1 LYS 3 HZ1 LYS 3 -9.949 5.432 4.396 24 HZ2 LYS 3 HZ2 LYS 3 -8.862 4.138 4.454 25 HZ3 LYS 3 HZ3 LYS 3 -9.897 4.315 3.129 26 H CYS 4 HN CYS 4 -4.019 4.158 -1.812 27 HA CYS 4 HA CYS 4 -1.940 2.434 -1.055 28 HB2 CYS 4 HB2 CYS 4 -2.891 3.139 -3.836 29 HB3 CYS 4 HB1 CYS 4 -1.924 1.732 -3.408 30 H LYS 5 HN LYS 5 -1.967 5.484 -2.777 31 HA LYS 5 HA LYS 5 0.769 5.341 -3.595 32 HB2 LYS 5 HB2 LYS 5 -1.230 7.598 -3.523 33 HB3 LYS 5 HB1 LYS 5 0.423 7.809 -4.084 34 HG2 LYS 5 HG2 LYS 5 0.060 6.207 -5.859 35 HG3 LYS 5 HG1 LYS 5 -1.573 5.892 -5.272 36 HD2 LYS 5 HD2 LYS 5 -2.200 8.200 -5.736 37 HD3 LYS 5 HD1 LYS 5 -0.555 8.551 -6.274 38 HE2 LYS 5 HE2 LYS 5 -2.051 8.180 -8.169 39 HE3 LYS 5 HE1 LYS 5 -0.796 6.945 -8.092 40 HZ1 LYS 5 HZ1 LYS 5 -2.966 5.995 -8.572 41 HZ2 LYS 5 HZ2 LYS 5 -3.585 6.622 -7.131 42 HZ3 LYS 5 HZ3 LYS 5 -2.383 5.437 -7.086 43 H GLU 6 HN GLU 6 -0.989 6.810 -0.910 44 HA GLU 6 HA GLU 6 1.218 8.176 0.210 45 HB2 GLU 6 HB2 GLU 6 -1.316 7.111 1.461 46 HB3 GLU 6 HB1 GLU 6 -0.133 8.066 2.345 47 HG2 GLU 6 HG2 GLU 6 -1.648 8.965 -0.095 48 HG3 GLU 6 HG1 GLU 6 -1.997 9.426 1.569 49 H LEU 7 HN LEU 7 -0.140 4.960 0.788 50 HA LEU 7 HA LEU 7 1.761 4.167 2.720 51 HB2 LEU 7 HB2 LEU 7 0.036 2.568 0.836 52 HB3 LEU 7 HB1 LEU 7 1.022 1.847 2.091 53 HG LEU 7 HG LEU 7 -1.127 3.879 2.689 54 HD11 LEU 7 HD11 LEU 7 -2.566 2.007 3.298 55 HD12 LEU 7 HD12 LEU 7 -1.344 0.870 2.732 56 HD13 LEU 7 HD13 LEU 7 -2.145 1.945 1.587 57 HD21 LEU 7 HD21 LEU 7 -0.969 2.966 4.939 58 HD22 LEU 7 HD22 LEU 7 0.603 3.552 4.401 59 HD23 LEU 7 HD23 LEU 7 0.262 1.823 4.406 60 H LYS 8 HN LYS 8 1.643 3.864 -0.796 61 HA LYS 8 HA LYS 8 3.926 2.298 -1.160 62 HB2 LYS 8 HB2 LYS 8 2.261 2.849 -2.925 63 HB3 LYS 8 HB1 LYS 8 2.893 4.488 -2.969 64 HG2 LYS 8 HG2 LYS 8 5.075 3.610 -3.670 65 HG3 LYS 8 HG1 LYS 8 4.400 1.980 -3.672 66 HD2 LYS 8 HD2 LYS 8 2.712 2.749 -5.330 67 HD3 LYS 8 HD1 LYS 8 3.547 4.301 -5.395 68 HE2 LYS 8 HE2 LYS 8 4.726 1.615 -6.098 69 HE3 LYS 8 HE1 LYS 8 4.219 2.856 -7.243 70 HZ1 LYS 8 HZ1 LYS 8 6.597 2.910 -6.903 71 HZ2 LYS 8 HZ2 LYS 8 6.394 3.125 -5.240 72 HZ3 LYS 8 HZ3 LYS 8 5.900 4.331 -6.313 73 H LYS 9 HN LYS 9 3.555 5.821 -1.061 74 HA LYS 9 HA LYS 9 6.278 6.435 -1.410 75 HB2 LYS 9 HB2 LYS 9 4.541 8.108 -1.722 76 HB3 LYS 9 HB1 LYS 9 4.080 7.986 -0.031 77 HG2 LYS 9 HG2 LYS 9 5.378 9.980 -0.395 78 HG3 LYS 9 HG1 LYS 9 6.279 8.853 0.617 79 HD2 LYS 9 HD2 LYS 9 7.515 8.108 -1.404 80 HD3 LYS 9 HD1 LYS 9 6.676 9.354 -2.330 81 HE2 LYS 9 HE2 LYS 9 8.861 10.157 -1.691 82 HE3 LYS 9 HE1 LYS 9 7.623 11.065 -0.827 83 HZ1 LYS 9 HZ1 LYS 9 9.450 10.443 0.625 84 HZ2 LYS 9 HZ2 LYS 9 9.189 8.808 0.289 85 HZ3 LYS 9 HZ3 LYS 9 8.016 9.697 1.117 86 H ARG 10 HN ARG 10 4.311 5.907 1.465 87 HA ARG 10 HA ARG 10 6.212 6.590 3.401 88 HB2 ARG 10 HB2 ARG 10 3.855 6.349 3.915 89 HB3 ARG 10 HB1 ARG 10 3.911 4.640 3.515 90 HG2 ARG 10 HG2 ARG 10 5.411 4.239 5.397 91 HG3 ARG 10 HG1 ARG 10 5.351 5.961 5.803 92 HD2 ARG 10 HD2 ARG 10 2.991 5.831 6.236 93 HD3 ARG 10 HD1 ARG 10 2.932 4.168 5.664 94 HE ARG 10 HE ARG 10 4.738 4.268 7.788 95 HH11 ARG 10 HH11 ARG 10 0.847 4.242 8.791 96 HH12 ARG 10 HH12 ARG 10 1.330 4.782 7.214 97 HH21 ARG 10 HH21 ARG 10 4.113 3.562 9.880 98 HH22 ARG 10 HH22 ARG 10 2.434 3.553 10.309 99 H TYR 11 HN TYR 11 5.466 3.468 1.887 100 HA TYR 11 HA TYR 11 7.565 2.178 3.420 101 HB2 TYR 11 HB2 TYR 11 5.512 1.180 1.470 102 HB3 TYR 11 HB1 TYR 11 6.821 0.155 2.040 103 HD1 TYR 11 HD1 TYR 11 6.835 -0.735 4.251 104 HD2 TYR 11 HD2 TYR 11 3.782 1.979 3.055 105 HE1 TYR 11 HE1 TYR 11 5.550 -1.300 6.267 106 HE2 TYR 11 HE2 TYR 11 2.491 1.419 5.067 107 HH TYR 11 HH TYR 11 2.281 -0.362 6.687 108 H ORN 12 HT1 ORN 12 12.424 0.382 -2.665 109 HA ORN 12 HA ORN 12 10.954 1.527 -1.174 110 HB2 ORN 12 HB1 ORN 12 9.488 2.405 -3.674 111 HB3 ORN 12 HB2 ORN 12 10.552 3.451 -2.744 112 HG2 ORN 12 HG1 ORN 12 8.115 2.104 -1.610 113 HG3 ORN 12 HG2 ORN 12 8.129 3.742 -2.258 114 HD2 ORN 12 HD1 ORN 12 9.432 4.554 -0.543 115 HD3 ORN 12 HD2 ORN 12 10.114 2.978 -0.173 116 HE1 ORN 12 HE ORN 12 7.571 4.035 0.752 117 H CYS 13 HN CYS 13 9.125 0.398 -0.423 118 HA CYS 13 HA CYS 13 8.707 -2.133 -1.749 119 HB2 CYS 13 HB2 CYS 13 7.385 -1.070 0.745 120 HB3 CYS 13 HB1 CYS 13 7.435 -2.744 0.215 121 H GLU 14 HN GLU 14 6.869 -2.843 -2.695 122 HA GLU 14 HA GLU 14 5.011 -0.781 -3.570 123 HB2 GLU 14 HB2 GLU 14 5.355 -3.667 -4.399 124 HB3 GLU 14 HB1 GLU 14 4.199 -2.553 -5.116 125 HG2 GLU 14 HG2 GLU 14 7.193 -2.236 -5.154 126 HG3 GLU 14 HG1 GLU 14 6.200 -2.813 -6.489 127 H VAL 15 HN VAL 15 2.971 -0.615 -2.842 128 HA VAL 15 HA VAL 15 2.140 -2.557 -0.813 129 HB VAL 15 HB VAL 15 1.053 0.208 -1.356 130 HG11 VAL 15 HG11 VAL 15 -0.057 -0.049 0.821 131 HG12 VAL 15 HG12 VAL 15 0.520 -1.714 0.907 132 HG13 VAL 15 HG13 VAL 15 -0.620 -1.239 -0.353 133 HG21 VAL 15 HG21 VAL 15 3.318 0.343 -0.542 134 HG22 VAL 15 HG22 VAL 15 2.956 -0.789 0.755 135 HG23 VAL 15 HG23 VAL 15 2.211 0.808 0.749 136 H ARG 16 HN ARG 16 0.756 -4.041 -1.382 137 HA ARG 16 HA ARG 16 -0.852 -3.698 -3.791 138 HB2 ARG 16 HB2 ARG 16 -0.404 -6.132 -2.054 139 HB3 ARG 16 HB1 ARG 16 -1.304 -6.110 -3.562 140 HG2 ARG 16 HG2 ARG 16 0.717 -5.509 -4.778 141 HG3 ARG 16 HG1 ARG 16 1.628 -5.487 -3.268 142 HD2 ARG 16 HD2 ARG 16 1.997 -7.578 -4.439 143 HD3 ARG 16 HD1 ARG 16 1.116 -7.865 -2.939 144 HE ARG 16 HE ARG 16 -0.551 -7.554 -5.278 145 HH11 ARG 16 HH11 ARG 16 1.204 -9.797 -3.247 146 HH12 ARG 16 HH12 ARG 16 0.255 -11.168 -3.723 147 HH21 ARG 16 HH21 ARG 16 -1.454 -10.920 -5.239 148 HH22 ARG 16 HH22 ARG 16 -1.812 -9.357 -5.899 149 H CYS 17 HN CYS 17 -2.763 -2.801 -3.528 150 HA CYS 17 HA CYS 17 -4.135 -3.006 -0.975 151 HB2 CYS 17 HB2 CYS 17 -4.825 -1.426 -3.457 152 HB3 CYS 17 HB1 CYS 17 -5.644 -1.301 -1.903 153 H ASP 18 HN ASP 18 -5.515 -4.570 -0.631 154 HA ASP 18 HA ASP 18 -7.246 -5.457 -2.844 155 HB2 ASP 18 HB2 ASP 18 -5.555 -7.201 -2.180 156 HB3 ASP 18 HB1 ASP 18 -6.272 -7.210 -0.575 157 HA DPR 19 HA DPR 19 -10.706 -4.752 -0.157 158 HB2 DPR 19 HB1 DPR 19 -11.235 -2.152 -0.826 159 HB3 DPR 19 HB2 DPR 19 -11.754 -3.549 -1.773 160 HG2 DPR 19 HG1 DPR 19 -9.440 -1.714 -2.199 161 HG3 DPR 19 HG2 DPR 19 -10.517 -2.456 -3.393 162 HD2 DPR 19 HD1 DPR 19 -8.014 -3.375 -2.898 163 HD3 DPR 19 HD2 DPR 19 -9.344 -4.440 -3.402 164 HA PRO 20 HA PRO 20 -9.404 -1.987 3.149 165 HB2 PRO 20 HB2 PRO 20 -10.002 -3.622 5.179 166 HB3 PRO 20 HB1 PRO 20 -11.268 -2.803 4.256 167 HG2 PRO 20 HG2 PRO 20 -10.302 -5.624 4.059 168 HG3 PRO 20 HG1 PRO 20 -11.959 -5.004 3.997 169 HD2 PRO 20 HD2 PRO 20 -10.464 -5.681 1.782 170 HD3 PRO 20 HD1 PRO 20 -11.822 -4.541 1.768 171 H ARG 21 HN ARG 21 -7.984 -4.757 1.943 172 HA ARG 21 HA ARG 21 -6.020 -4.987 4.105 173 HB2 ARG 21 HB2 ARG 21 -6.327 -6.664 1.611 174 HB3 ARG 21 HB1 ARG 21 -5.244 -6.992 2.953 175 HG2 ARG 21 HG2 ARG 21 -7.181 -7.303 4.423 176 HG3 ARG 21 HG1 ARG 21 -8.253 -7.005 3.054 177 HD2 ARG 21 HD2 ARG 21 -8.061 -9.375 3.356 178 HD3 ARG 21 HD1 ARG 21 -7.201 -8.929 1.885 179 HE ARG 21 HE ARG 21 -5.959 -9.704 4.443 180 HH11 ARG 21 HH11 ARG 21 -5.702 -9.107 0.997 181 HH12 ARG 21 HH12 ARG 21 -4.110 -9.797 0.862 182 HH21 ARG 21 HH21 ARG 21 -3.888 -10.641 4.264 183 HH22 ARG 21 HH22 ARG 21 -3.096 -10.693 2.721 184 H TYR 22 HN TYR 22 -3.899 -4.501 3.855 185 HA TYR 22 HA TYR 22 -2.995 -3.566 1.221 186 HB2 TYR 22 HB2 TYR 22 -2.344 -2.230 3.858 187 HB3 TYR 22 HB1 TYR 22 -1.744 -1.753 2.276 188 HD1 TYR 22 HD1 TYR 22 -3.257 -0.724 0.634 189 HD2 TYR 22 HD2 TYR 22 -4.540 -1.624 4.585 190 HE1 TYR 22 HE1 TYR 22 -5.184 0.763 0.338 191 HE2 TYR 22 HE2 TYR 22 -6.473 -0.139 4.303 192 HH TYR 22 HH TYR 22 -7.449 1.058 1.293 193 H GLU 23 HN GLU 23 -1.551 -5.025 0.629 194 HA GLU 23 HA GLU 23 0.150 -6.257 2.671 195 HB2 GLU 23 HB2 GLU 23 -0.447 -7.066 -0.170 196 HB3 GLU 23 HB1 GLU 23 0.692 -7.899 0.874 197 HG2 GLU 23 HG2 GLU 23 -1.134 -8.379 2.449 198 HG3 GLU 23 HG1 GLU 23 -2.267 -7.608 1.338 199 H VAL 24 HN VAL 24 2.048 -5.336 2.961 200 HA VAL 24 HA VAL 24 3.224 -3.751 0.849 201 HB VAL 24 HB VAL 24 4.957 -3.147 2.484 202 HG11 VAL 24 HG11 VAL 24 3.520 -1.930 4.036 203 HG12 VAL 24 HG12 VAL 24 2.160 -2.964 3.600 204 HG13 VAL 24 HG13 VAL 24 2.865 -1.885 2.400 205 HG21 VAL 24 HG21 VAL 24 5.069 -5.271 3.707 206 HG22 VAL 24 HG22 VAL 24 3.476 -4.955 4.394 207 HG23 VAL 24 HG23 VAL 24 4.833 -3.902 4.793 208 H HIS 25 HN HIS 25 4.625 -4.463 -0.570 209 HA HIS 25 HA HIS 25 6.106 -6.929 0.036 210 HB2 HIS 25 HB2 HIS 25 4.279 -7.355 -1.573 211 HB3 HIS 25 HB1 HIS 25 4.947 -6.126 -2.638 212 HD1 HIS 25 HD1 HIS 25 6.839 -6.810 -4.171 213 HD2 HIS 25 HD2 HIS 25 5.875 -9.734 -1.381 214 HE1 HIS 25 HE1 HIS 25 8.139 -8.849 -4.850 215 HE2 HIS 25 HE2 HIS 25 7.436 -10.641 -3.231 216 H CYS 26 HN CYS 26 8.157 -6.399 0.272 217 HA CYS 26 HA CYS 26 9.276 -4.168 -1.228 218 HB2 CYS 26 HB2 CYS 26 10.555 -5.879 0.915 219 HB3 CYS 26 HB1 CYS 26 11.177 -4.360 0.276 220 HN1 NH2 27 HN1 NH2 27 9.369 -5.067 -3.273 221 HN2 NH2 27 HN2 NH2 27 10.477 -6.326 -3.699 Start of MODEL 7 1 H1 ASN 1 HT1 ASN 1 -7.888 5.786 -5.359 2 H2 ASN 1 HT2 ASN 1 -8.795 4.372 -5.191 3 H3 ASN 1 HT3 ASN 1 -7.127 4.280 -5.436 4 HA ASN 1 HA ASN 1 -8.455 5.440 -3.065 5 HB2 ASN 1 HB2 ASN 1 -8.687 3.021 -3.095 6 HB3 ASN 1 HB1 ASN 1 -6.974 2.831 -3.451 7 HD21 ASN 1 HD21 ASN 1 -9.334 3.568 -1.011 8 HD22 ASN 1 HD22 ASN 1 -8.253 3.452 0.338 9 H ASP 2 HN ASP 2 -7.239 6.929 -2.090 10 HA ASP 2 HA ASP 2 -4.587 7.450 -3.050 11 HB2 ASP 2 HB2 ASP 2 -4.607 9.394 -1.606 12 HB3 ASP 2 HB1 ASP 2 -6.133 9.283 -2.467 13 H LYS 3 HN LYS 3 -5.868 5.672 -0.383 14 HA LYS 3 HA LYS 3 -3.729 5.834 1.412 15 HB2 LYS 3 HB2 LYS 3 -5.814 3.766 0.877 16 HB3 LYS 3 HB1 LYS 3 -4.450 3.336 1.894 17 HG2 LYS 3 HG2 LYS 3 -6.226 4.013 3.305 18 HG3 LYS 3 HG1 LYS 3 -5.005 5.281 3.341 19 HD2 LYS 3 HD2 LYS 3 -6.320 6.603 1.768 20 HD3 LYS 3 HD1 LYS 3 -7.532 5.321 1.697 21 HE2 LYS 3 HE2 LYS 3 -8.219 7.123 3.210 22 HE3 LYS 3 HE1 LYS 3 -7.995 5.601 4.072 23 HZ1 LYS 3 HZ1 LYS 3 -7.036 7.471 5.271 24 HZ2 LYS 3 HZ2 LYS 3 -6.021 7.818 3.964 25 HZ3 LYS 3 HZ3 LYS 3 -5.837 6.369 4.815 26 H CYS 4 HN CYS 4 -4.237 3.803 -1.414 27 HA CYS 4 HA CYS 4 -2.004 2.163 -1.228 28 HB2 CYS 4 HB2 CYS 4 -3.321 3.320 -3.692 29 HB3 CYS 4 HB1 CYS 4 -2.169 1.988 -3.705 30 H LYS 5 HN LYS 5 -2.341 5.387 -2.604 31 HA LYS 5 HA LYS 5 0.298 5.544 -3.635 32 HB2 LYS 5 HB2 LYS 5 -1.613 6.890 -4.474 33 HB3 LYS 5 HB1 LYS 5 -1.635 7.770 -2.953 34 HG2 LYS 5 HG2 LYS 5 0.674 8.533 -3.422 35 HG3 LYS 5 HG1 LYS 5 0.569 7.751 -5.000 36 HD2 LYS 5 HD2 LYS 5 -1.361 9.164 -5.558 37 HD3 LYS 5 HD1 LYS 5 -1.222 9.960 -3.989 38 HE2 LYS 5 HE2 LYS 5 1.036 10.718 -4.592 39 HE3 LYS 5 HE1 LYS 5 0.866 9.948 -6.166 40 HZ1 LYS 5 HZ1 LYS 5 0.409 12.300 -6.303 41 HZ2 LYS 5 HZ2 LYS 5 -0.797 12.176 -5.128 42 HZ3 LYS 5 HZ3 LYS 5 -1.001 11.425 -6.628 43 H GLU 6 HN GLU 6 -1.241 6.535 -0.635 44 HA GLU 6 HA GLU 6 1.000 8.021 0.323 45 HB2 GLU 6 HB2 GLU 6 -1.473 6.963 1.680 46 HB3 GLU 6 HB1 GLU 6 -0.259 7.930 2.508 47 HG2 GLU 6 HG2 GLU 6 -1.804 8.811 0.080 48 HG3 GLU 6 HG1 GLU 6 -2.187 9.251 1.741 49 H LEU 7 HN LEU 7 -0.152 4.728 0.760 50 HA LEU 7 HA LEU 7 1.808 4.011 2.699 51 HB2 LEU 7 HB2 LEU 7 0.152 2.341 0.809 52 HB3 LEU 7 HB1 LEU 7 1.176 1.669 2.061 53 HG LEU 7 HG LEU 7 -1.122 3.548 2.620 54 HD11 LEU 7 HD11 LEU 7 -2.379 1.576 3.307 55 HD12 LEU 7 HD12 LEU 7 -1.052 0.538 2.786 56 HD13 LEU 7 HD13 LEU 7 -1.950 1.485 1.599 57 HD21 LEU 7 HD21 LEU 7 0.619 3.461 4.351 58 HD22 LEU 7 HD22 LEU 7 0.443 1.708 4.427 59 HD23 LEU 7 HD23 LEU 7 -0.894 2.750 4.906 60 H LYS 8 HN LYS 8 1.580 3.805 -0.810 61 HA LYS 8 HA LYS 8 4.060 2.555 -1.282 62 HB2 LYS 8 HB2 LYS 8 2.205 2.908 -2.948 63 HB3 LYS 8 HB1 LYS 8 2.669 4.599 -3.023 64 HG2 LYS 8 HG2 LYS 8 4.895 3.923 -3.835 65 HG3 LYS 8 HG1 LYS 8 4.358 2.242 -3.828 66 HD2 LYS 8 HD2 LYS 8 4.142 3.089 -6.065 67 HD3 LYS 8 HD1 LYS 8 2.525 2.890 -5.389 68 HE2 LYS 8 HE2 LYS 8 2.450 5.283 -4.874 69 HE3 LYS 8 HE1 LYS 8 4.063 5.480 -5.555 70 HZ1 LYS 8 HZ1 LYS 8 3.190 4.756 -7.698 71 HZ2 LYS 8 HZ2 LYS 8 2.377 6.126 -7.138 72 HZ3 LYS 8 HZ3 LYS 8 1.641 4.608 -7.034 73 H LYS 9 HN LYS 9 3.114 5.869 -0.694 74 HA LYS 9 HA LYS 9 5.601 7.101 -1.220 75 HB2 LYS 9 HB2 LYS 9 3.367 8.238 -1.022 76 HB3 LYS 9 HB1 LYS 9 3.457 7.992 0.713 77 HG2 LYS 9 HG2 LYS 9 4.099 10.233 0.203 78 HG3 LYS 9 HG1 LYS 9 5.522 9.349 0.756 79 HD2 LYS 9 HD2 LYS 9 6.330 9.117 -1.483 80 HD3 LYS 9 HD1 LYS 9 4.827 9.758 -2.147 81 HE2 LYS 9 HE2 LYS 9 6.759 11.289 -0.410 82 HE3 LYS 9 HE1 LYS 9 6.658 11.409 -2.165 83 HZ1 LYS 9 HZ1 LYS 9 4.389 12.212 -1.940 84 HZ2 LYS 9 HZ2 LYS 9 5.459 13.204 -1.089 85 HZ3 LYS 9 HZ3 LYS 9 4.487 12.101 -0.256 86 H ARG 10 HN ARG 10 4.116 5.803 1.709 87 HA ARG 10 HA ARG 10 6.157 6.616 3.491 88 HB2 ARG 10 HB2 ARG 10 3.923 6.101 4.287 89 HB3 ARG 10 HB1 ARG 10 4.074 4.441 3.738 90 HG2 ARG 10 HG2 ARG 10 5.908 4.095 5.344 91 HG3 ARG 10 HG1 ARG 10 5.681 5.748 5.924 92 HD2 ARG 10 HD2 ARG 10 3.490 5.239 6.730 93 HD3 ARG 10 HD1 ARG 10 3.506 3.660 5.948 94 HE ARG 10 HE ARG 10 5.642 3.581 7.639 95 HH11 ARG 10 HH11 ARG 10 2.191 3.662 9.688 96 HH12 ARG 10 HH12 ARG 10 2.241 4.292 8.072 97 HH21 ARG 10 HH21 ARG 10 5.573 2.758 9.768 98 HH22 ARG 10 HH22 ARG 10 4.074 2.789 10.649 99 H TYR 11 HN TYR 11 5.446 3.470 1.982 100 HA TYR 11 HA TYR 11 7.748 2.306 3.285 101 HB2 TYR 11 HB2 TYR 11 5.648 1.153 1.460 102 HB3 TYR 11 HB1 TYR 11 6.989 0.217 2.110 103 HD1 TYR 11 HD1 TYR 11 7.144 -0.205 4.551 104 HD2 TYR 11 HD2 TYR 11 3.773 1.727 2.817 105 HE1 TYR 11 HE1 TYR 11 5.846 -0.645 6.589 106 HE2 TYR 11 HE2 TYR 11 2.469 1.296 4.858 107 HH TYR 11 HH TYR 11 2.446 -0.164 6.769 108 H ORN 12 HT1 ORN 12 12.589 0.648 -2.527 109 HA ORN 12 HA ORN 12 10.904 1.697 -1.185 110 HB2 ORN 12 HB1 ORN 12 9.416 2.156 -3.778 111 HB3 ORN 12 HB2 ORN 12 10.363 3.410 -2.992 112 HG2 ORN 12 HG1 ORN 12 8.100 1.955 -1.646 113 HG3 ORN 12 HG2 ORN 12 7.902 3.472 -2.525 114 HD2 ORN 12 HD1 ORN 12 9.051 4.684 -0.964 115 HD3 ORN 12 HD2 ORN 12 10.011 3.310 -0.440 116 HE1 ORN 12 HE ORN 12 7.444 4.119 0.580 117 H CYS 13 HN CYS 13 9.134 0.424 -0.488 118 HA CYS 13 HA CYS 13 9.027 -2.232 -1.568 119 HB2 CYS 13 HB2 CYS 13 7.237 -0.947 0.502 120 HB3 CYS 13 HB1 CYS 13 7.426 -2.671 0.210 121 H GLU 14 HN GLU 14 7.020 -3.266 -2.233 122 HA GLU 14 HA GLU 14 5.289 -1.405 -3.708 123 HB2 GLU 14 HB2 GLU 14 5.821 -4.344 -4.174 124 HB3 GLU 14 HB1 GLU 14 4.699 -3.364 -5.110 125 HG2 GLU 14 HG2 GLU 14 6.664 -1.894 -5.689 126 HG3 GLU 14 HG1 GLU 14 7.688 -3.143 -4.985 127 H VAL 15 HN VAL 15 3.412 -1.042 -2.768 128 HA VAL 15 HA VAL 15 2.359 -3.044 -0.931 129 HB VAL 15 HB VAL 15 0.855 -1.391 -0.078 130 HG11 VAL 15 HG11 VAL 15 2.383 0.279 0.775 131 HG12 VAL 15 HG12 VAL 15 3.534 -0.081 -0.513 132 HG13 VAL 15 HG13 VAL 15 3.177 -1.294 0.714 133 HG21 VAL 15 HG21 VAL 15 0.198 -0.312 -2.148 134 HG22 VAL 15 HG22 VAL 15 1.793 0.430 -2.288 135 HG23 VAL 15 HG23 VAL 15 0.722 0.886 -0.962 136 H ARG 16 HN ARG 16 0.613 -4.211 -1.307 137 HA ARG 16 HA ARG 16 -0.762 -3.828 -3.875 138 HB2 ARG 16 HB2 ARG 16 0.226 -5.980 -3.825 139 HB3 ARG 16 HB1 ARG 16 -0.284 -6.261 -2.167 140 HG2 ARG 16 HG2 ARG 16 -2.621 -6.316 -2.921 141 HG3 ARG 16 HG1 ARG 16 -2.065 -6.119 -4.583 142 HD2 ARG 16 HD2 ARG 16 -1.062 -8.222 -4.623 143 HD3 ARG 16 HD1 ARG 16 -1.059 -8.356 -2.863 144 HE ARG 16 HE ARG 16 -3.598 -8.405 -3.133 145 HH11 ARG 16 HH11 ARG 16 -1.373 -9.710 -5.512 146 HH12 ARG 16 HH12 ARG 16 -2.501 -10.892 -6.092 147 HH21 ARG 16 HH21 ARG 16 -4.611 -11.024 -5.170 148 HH22 ARG 16 HH22 ARG 16 -5.068 -9.934 -3.900 149 H CYS 17 HN CYS 17 -2.864 -3.342 -3.891 150 HA CYS 17 HA CYS 17 -4.130 -3.011 -1.278 151 HB2 CYS 17 HB2 CYS 17 -4.914 -1.814 -3.936 152 HB3 CYS 17 HB1 CYS 17 -5.534 -1.356 -2.353 153 H ASP 18 HN ASP 18 -5.497 -4.512 -0.683 154 HA ASP 18 HA ASP 18 -7.373 -5.585 -2.682 155 HB2 ASP 18 HB2 ASP 18 -6.165 -6.978 -0.285 156 HB3 ASP 18 HB1 ASP 18 -7.574 -7.588 -1.139 157 HA DPR 19 HA DPR 19 -10.725 -4.114 -0.152 158 HB2 DPR 19 HB1 DPR 19 -10.173 -1.454 -1.312 159 HB3 DPR 19 HB2 DPR 19 -11.662 -2.402 -1.323 160 HG2 DPR 19 HG1 DPR 19 -10.178 -2.142 -3.527 161 HG3 DPR 19 HG2 DPR 19 -11.001 -3.664 -3.146 162 HD2 DPR 19 HD1 DPR 19 -8.115 -2.937 -2.835 163 HD3 DPR 19 HD2 DPR 19 -8.846 -4.467 -3.362 164 HA PRO 20 HA PRO 20 -9.168 -1.392 3.054 165 HB2 PRO 20 HB2 PRO 20 -9.903 -2.882 5.148 166 HB3 PRO 20 HB1 PRO 20 -11.098 -2.031 4.163 167 HG2 PRO 20 HG2 PRO 20 -10.295 -4.913 4.094 168 HG3 PRO 20 HG1 PRO 20 -11.918 -4.204 4.017 169 HD2 PRO 20 HD2 PRO 20 -10.513 -5.046 1.816 170 HD3 PRO 20 HD1 PRO 20 -11.759 -3.783 1.776 171 H ARG 21 HN ARG 21 -7.887 -4.281 1.994 172 HA ARG 21 HA ARG 21 -5.892 -4.382 4.157 173 HB2 ARG 21 HB2 ARG 21 -6.687 -6.449 2.107 174 HB3 ARG 21 HB1 ARG 21 -5.318 -6.629 3.196 175 HG2 ARG 21 HG2 ARG 21 -6.799 -6.546 5.113 176 HG3 ARG 21 HG1 ARG 21 -8.186 -6.296 4.048 177 HD2 ARG 21 HD2 ARG 21 -7.816 -8.461 3.022 178 HD3 ARG 21 HD1 ARG 21 -6.375 -8.705 4.005 179 HE ARG 21 HE ARG 21 -8.386 -8.294 5.813 180 HH11 ARG 21 HH11 ARG 21 -7.864 -10.501 3.155 181 HH12 ARG 21 HH12 ARG 21 -8.731 -11.809 3.895 182 HH21 ARG 21 HH21 ARG 21 -9.541 -10.019 6.801 183 HH22 ARG 21 HH22 ARG 21 -9.671 -11.538 5.974 184 H TYR 22 HN TYR 22 -3.713 -4.341 3.687 185 HA TYR 22 HA TYR 22 -2.934 -3.768 0.921 186 HB2 TYR 22 HB2 TYR 22 -2.117 -2.078 3.297 187 HB3 TYR 22 HB1 TYR 22 -1.569 -1.865 1.637 188 HD1 TYR 22 HD1 TYR 22 -3.032 -0.901 -0.041 189 HD2 TYR 22 HD2 TYR 22 -4.350 -1.421 3.967 190 HE1 TYR 22 HE1 TYR 22 -4.917 0.608 -0.477 191 HE2 TYR 22 HE2 TYR 22 -6.240 0.089 3.547 192 HH TYR 22 HH TYR 22 -6.816 1.929 1.993 193 H GLU 23 HN GLU 23 -1.492 -5.256 0.443 194 HA GLU 23 HA GLU 23 0.144 -6.447 2.540 195 HB2 GLU 23 HB2 GLU 23 -0.216 -7.191 -0.366 196 HB3 GLU 23 HB1 GLU 23 0.793 -8.070 0.770 197 HG2 GLU 23 HG2 GLU 23 -2.189 -7.705 0.975 198 HG3 GLU 23 HG1 GLU 23 -1.355 -9.164 0.446 199 H VAL 24 HN VAL 24 2.020 -5.534 2.980 200 HA VAL 24 HA VAL 24 3.302 -3.819 1.018 201 HB VAL 24 HB VAL 24 4.058 -4.354 3.896 202 HG11 VAL 24 HG11 VAL 24 5.018 -2.240 1.971 203 HG12 VAL 24 HG12 VAL 24 5.959 -3.597 2.588 204 HG13 VAL 24 HG13 VAL 24 5.424 -2.323 3.684 205 HG21 VAL 24 HG21 VAL 24 2.532 -2.062 2.666 206 HG22 VAL 24 HG22 VAL 24 3.075 -2.141 4.341 207 HG23 VAL 24 HG23 VAL 24 1.878 -3.293 3.746 208 H HIS 25 HN HIS 25 4.485 -4.870 -0.430 209 HA HIS 25 HA HIS 25 6.114 -7.151 0.416 210 HB2 HIS 25 HB2 HIS 25 5.070 -6.207 -2.228 211 HB3 HIS 25 HB1 HIS 25 6.469 -7.267 -2.172 212 HD1 HIS 25 HD1 HIS 25 5.901 -9.667 -2.321 213 HD2 HIS 25 HD2 HIS 25 2.809 -7.453 -0.642 214 HE1 HIS 25 HE1 HIS 25 4.033 -11.302 -1.931 215 HE2 HIS 25 HE2 HIS 25 2.258 -9.979 -0.737 216 H CYS 26 HN CYS 26 7.943 -6.407 1.278 217 HA CYS 26 HA CYS 26 9.448 -4.327 -0.130 218 HB2 CYS 26 HB2 CYS 26 9.795 -5.531 2.623 219 HB3 CYS 26 HB1 CYS 26 10.865 -4.318 1.931 220 HN1 NH2 27 HN1 NH2 27 9.987 -5.803 -1.844 221 HN2 NH2 27 HN2 NH2 27 11.255 -6.960 -1.633 Start of MODEL 8 1 H1 ASN 1 HT1 ASN 1 -8.239 4.488 -4.394 2 H2 ASN 1 HT2 ASN 1 -8.178 5.813 -5.436 3 H3 ASN 1 HT3 ASN 1 -9.623 5.423 -4.657 4 HA ASN 1 HA ASN 1 -8.595 7.318 -3.621 5 HB2 ASN 1 HB2 ASN 1 -9.891 5.623 -2.282 6 HB3 ASN 1 HB1 ASN 1 -8.361 4.863 -1.866 7 HD21 ASN 1 HD21 ASN 1 -10.407 7.631 -1.403 8 HD22 ASN 1 HD22 ASN 1 -9.560 8.280 -0.040 9 H ASP 2 HN ASP 2 -6.803 8.097 -2.266 10 HA ASP 2 HA ASP 2 -4.322 7.271 -3.532 11 HB2 ASP 2 HB2 ASP 2 -5.060 9.687 -1.896 12 HB3 ASP 2 HB1 ASP 2 -3.418 9.365 -2.432 13 H LYS 3 HN LYS 3 -5.789 6.126 -0.933 14 HA LYS 3 HA LYS 3 -3.928 6.283 1.150 15 HB2 LYS 3 HB2 LYS 3 -6.194 5.399 1.453 16 HB3 LYS 3 HB1 LYS 3 -5.808 4.025 0.430 17 HG2 LYS 3 HG2 LYS 3 -5.740 3.340 2.719 18 HG3 LYS 3 HG1 LYS 3 -4.099 3.330 2.071 19 HD2 LYS 3 HD2 LYS 3 -3.690 5.512 3.118 20 HD3 LYS 3 HD1 LYS 3 -5.327 5.493 3.779 21 HE2 LYS 3 HE2 LYS 3 -4.777 3.432 5.009 22 HE3 LYS 3 HE1 LYS 3 -3.130 3.519 4.387 23 HZ1 LYS 3 HZ1 LYS 3 -2.903 5.680 5.498 24 HZ2 LYS 3 HZ2 LYS 3 -3.219 4.428 6.589 25 HZ3 LYS 3 HZ3 LYS 3 -4.452 5.501 6.155 26 H CYS 4 HN CYS 4 -4.246 4.001 -1.528 27 HA CYS 4 HA CYS 4 -2.101 2.325 -0.916 28 HB2 CYS 4 HB2 CYS 4 -3.239 3.127 -3.593 29 HB3 CYS 4 HB1 CYS 4 -2.073 1.830 -3.371 30 H LYS 5 HN LYS 5 -2.228 5.361 -2.676 31 HA LYS 5 HA LYS 5 0.430 5.351 -3.608 32 HB2 LYS 5 HB2 LYS 5 -1.288 6.772 -4.595 33 HB3 LYS 5 HB1 LYS 5 -1.465 7.647 -3.082 34 HG2 LYS 5 HG2 LYS 5 0.854 8.442 -3.300 35 HG3 LYS 5 HG1 LYS 5 0.967 7.614 -4.854 36 HD2 LYS 5 HD2 LYS 5 -0.857 8.981 -5.723 37 HD3 LYS 5 HD1 LYS 5 -0.995 9.799 -4.166 38 HE2 LYS 5 HE2 LYS 5 0.262 11.162 -5.742 39 HE3 LYS 5 HE1 LYS 5 1.291 10.640 -4.411 40 HZ1 LYS 5 HZ1 LYS 5 2.358 10.453 -6.605 41 HZ2 LYS 5 HZ2 LYS 5 1.188 9.323 -7.068 42 HZ3 LYS 5 HZ3 LYS 5 2.254 8.965 -5.807 43 H GLU 6 HN GLU 6 -1.087 6.787 -0.739 44 HA GLU 6 HA GLU 6 1.241 8.070 0.208 45 HB2 GLU 6 HB2 GLU 6 -1.271 7.174 1.613 46 HB3 GLU 6 HB1 GLU 6 0.008 8.070 2.421 47 HG2 GLU 6 HG2 GLU 6 -1.519 9.030 0.010 48 HG3 GLU 6 HG1 GLU 6 -1.843 9.501 1.675 49 H LEU 7 HN LEU 7 -0.149 4.884 0.852 50 HA LEU 7 HA LEU 7 1.774 4.050 2.742 51 HB2 LEU 7 HB2 LEU 7 0.056 2.507 0.809 52 HB3 LEU 7 HB1 LEU 7 1.089 1.733 1.993 53 HG LEU 7 HG LEU 7 -1.092 3.672 2.756 54 HD11 LEU 7 HD11 LEU 7 -2.444 1.702 3.309 55 HD12 LEU 7 HD12 LEU 7 -1.211 0.662 2.598 56 HD13 LEU 7 HD13 LEU 7 -2.104 1.794 1.582 57 HD21 LEU 7 HD21 LEU 7 0.683 3.300 4.414 58 HD22 LEU 7 HD22 LEU 7 0.392 1.564 4.322 59 HD23 LEU 7 HD23 LEU 7 -0.862 2.634 4.947 60 H LYS 8 HN LYS 8 1.619 3.774 -0.771 61 HA LYS 8 HA LYS 8 3.970 2.312 -1.176 62 HB2 LYS 8 HB2 LYS 8 2.364 2.591 -2.943 63 HB3 LYS 8 HB1 LYS 8 2.545 4.337 -2.901 64 HG2 LYS 8 HG2 LYS 8 4.841 4.110 -3.712 65 HG3 LYS 8 HG1 LYS 8 4.634 2.358 -3.773 66 HD2 LYS 8 HD2 LYS 8 2.888 2.576 -5.422 67 HD3 LYS 8 HD1 LYS 8 2.936 4.334 -5.290 68 HE2 LYS 8 HE2 LYS 8 5.204 2.591 -6.244 69 HE3 LYS 8 HE1 LYS 8 4.110 3.500 -7.286 70 HZ1 LYS 8 HZ1 LYS 8 4.900 5.542 -6.311 71 HZ2 LYS 8 HZ2 LYS 8 6.213 4.658 -6.902 72 HZ3 LYS 8 HZ3 LYS 8 5.903 4.697 -5.243 73 H LYS 9 HN LYS 9 3.400 5.769 -0.848 74 HA LYS 9 HA LYS 9 6.066 6.565 -1.405 75 HB2 LYS 9 HB2 LYS 9 3.798 7.941 0.031 76 HB3 LYS 9 HB1 LYS 9 5.341 8.716 -0.303 77 HG2 LYS 9 HG2 LYS 9 4.983 8.676 -2.624 78 HG3 LYS 9 HG1 LYS 9 3.667 7.509 -2.484 79 HD2 LYS 9 HD2 LYS 9 2.835 9.758 -2.955 80 HD3 LYS 9 HD1 LYS 9 2.284 9.178 -1.384 81 HE2 LYS 9 HE2 LYS 9 4.107 10.468 -0.317 82 HE3 LYS 9 HE1 LYS 9 4.543 11.108 -1.902 83 HZ1 LYS 9 HZ1 LYS 9 3.102 12.595 -0.583 84 HZ2 LYS 9 HZ2 LYS 9 1.869 11.431 -0.653 85 HZ3 LYS 9 HZ3 LYS 9 2.430 12.163 -2.075 86 H ARG 10 HN ARG 10 4.331 5.777 1.559 87 HA ARG 10 HA ARG 10 6.326 6.560 3.382 88 HB2 ARG 10 HB2 ARG 10 4.074 6.086 4.143 89 HB3 ARG 10 HB1 ARG 10 4.202 4.420 3.601 90 HG2 ARG 10 HG2 ARG 10 6.038 4.081 5.240 91 HG3 ARG 10 HG1 ARG 10 5.729 5.711 5.848 92 HD2 ARG 10 HD2 ARG 10 3.539 5.108 6.565 93 HD3 ARG 10 HD1 ARG 10 3.626 3.559 5.731 94 HE ARG 10 HE ARG 10 5.698 3.806 7.668 95 HH11 ARG 10 HH11 ARG 10 2.190 2.206 8.795 96 HH12 ARG 10 HH12 ARG 10 2.264 3.176 7.357 97 HH21 ARG 10 HH21 ARG 10 5.590 2.533 9.563 98 HH22 ARG 10 HH22 ARG 10 4.071 1.842 10.040 99 H TYR 11 HN TYR 11 5.622 3.411 1.909 100 HA TYR 11 HA TYR 11 7.860 2.203 3.260 101 HB2 TYR 11 HB2 TYR 11 5.826 1.142 1.310 102 HB3 TYR 11 HB1 TYR 11 7.152 0.170 1.934 103 HD1 TYR 11 HD1 TYR 11 7.216 -0.526 4.240 104 HD2 TYR 11 HD2 TYR 11 3.974 1.800 2.767 105 HE1 TYR 11 HE1 TYR 11 5.925 -1.059 6.259 106 HE2 TYR 11 HE2 TYR 11 2.676 1.275 4.786 107 HH TYR 11 HH TYR 11 2.568 -0.327 6.551 108 H ORN 12 HT1 ORN 12 11.738 1.370 -4.258 109 HA ORN 12 HA ORN 12 11.119 1.831 -1.404 110 HB2 ORN 12 HB1 ORN 12 9.581 2.660 -3.875 111 HB3 ORN 12 HB2 ORN 12 10.600 3.741 -2.935 112 HG2 ORN 12 HG1 ORN 12 8.240 2.262 -1.805 113 HG3 ORN 12 HG2 ORN 12 8.168 3.909 -2.434 114 HD2 ORN 12 HD1 ORN 12 9.429 4.763 -0.720 115 HD3 ORN 12 HD2 ORN 12 10.227 3.231 -0.392 116 HE1 ORN 12 HE ORN 12 7.629 4.089 0.590 117 H CYS 13 HN CYS 13 9.549 0.511 -0.542 118 HA CYS 13 HA CYS 13 9.014 -1.948 -1.918 119 HB2 CYS 13 HB2 CYS 13 7.688 -0.999 0.613 120 HB3 CYS 13 HB1 CYS 13 7.960 -2.653 0.095 121 H GLU 14 HN GLU 14 6.921 -2.732 -2.496 122 HA GLU 14 HA GLU 14 5.102 -0.543 -3.243 123 HB2 GLU 14 HB2 GLU 14 6.176 -1.669 -5.141 124 HB3 GLU 14 HB1 GLU 14 5.569 -3.216 -4.573 125 HG2 GLU 14 HG2 GLU 14 3.309 -2.555 -5.007 126 HG3 GLU 14 HG1 GLU 14 3.820 -0.918 -5.417 127 H VAL 15 HN VAL 15 3.162 -0.556 -2.298 128 HA VAL 15 HA VAL 15 2.390 -2.920 -0.798 129 HB VAL 15 HB VAL 15 0.693 -1.594 0.257 130 HG11 VAL 15 HG11 VAL 15 2.040 0.094 1.349 131 HG12 VAL 15 HG12 VAL 15 3.221 0.037 0.040 132 HG13 VAL 15 HG13 VAL 15 2.993 -1.365 1.084 133 HG21 VAL 15 HG21 VAL 15 -0.083 -0.319 -1.652 134 HG22 VAL 15 HG22 VAL 15 1.420 0.603 -1.674 135 HG23 VAL 15 HG23 VAL 15 0.312 0.756 -0.311 136 H ARG 16 HN ARG 16 0.594 -4.101 -1.145 137 HA ARG 16 HA ARG 16 -0.749 -3.719 -3.724 138 HB2 ARG 16 HB2 ARG 16 -0.544 -6.166 -1.962 139 HB3 ARG 16 HB1 ARG 16 -1.433 -6.090 -3.473 140 HG2 ARG 16 HG2 ARG 16 1.532 -5.639 -3.216 141 HG3 ARG 16 HG1 ARG 16 0.785 -7.172 -3.658 142 HD2 ARG 16 HD2 ARG 16 1.452 -6.128 -5.681 143 HD3 ARG 16 HD1 ARG 16 -0.298 -5.976 -5.584 144 HE ARG 16 HE ARG 16 0.957 -3.676 -4.501 145 HH11 ARG 16 HH11 ARG 16 0.247 -5.241 -7.543 146 HH12 ARG 16 HH12 ARG 16 0.229 -3.763 -8.447 147 HH21 ARG 16 HH21 ARG 16 0.632 -1.760 -7.394 148 HH22 ARG 16 HH22 ARG 16 0.930 -1.722 -5.685 149 H CYS 17 HN CYS 17 -2.988 -3.687 -3.824 150 HA CYS 17 HA CYS 17 -4.222 -3.033 -1.236 151 HB2 CYS 17 HB2 CYS 17 -4.965 -1.926 -3.942 152 HB3 CYS 17 HB1 CYS 17 -5.544 -1.374 -2.374 153 H ASP 18 HN ASP 18 -5.537 -4.590 -0.637 154 HA ASP 18 HA ASP 18 -7.266 -5.821 -2.679 155 HB2 ASP 18 HB2 ASP 18 -5.506 -7.331 -1.567 156 HB3 ASP 18 HB1 ASP 18 -6.463 -7.162 -0.100 157 HA DPR 19 HA DPR 19 -10.824 -4.533 -0.321 158 HB2 DPR 19 HB1 DPR 19 -10.409 -1.875 -1.538 159 HB3 DPR 19 HB2 DPR 19 -11.827 -2.926 -1.580 160 HG2 DPR 19 HG1 DPR 19 -10.263 -2.606 -3.728 161 HG3 DPR 19 HG2 DPR 19 -11.018 -4.165 -3.352 162 HD2 DPR 19 HD1 DPR 19 -8.192 -3.282 -2.958 163 HD3 DPR 19 HD2 DPR 19 -8.827 -4.865 -3.452 164 HA PRO 20 HA PRO 20 -9.549 -1.627 2.850 165 HB2 PRO 20 HB2 PRO 20 -10.214 -3.128 4.961 166 HB3 PRO 20 HB1 PRO 20 -11.441 -2.361 3.948 167 HG2 PRO 20 HG2 PRO 20 -10.485 -5.195 3.949 168 HG3 PRO 20 HG1 PRO 20 -12.139 -4.573 3.814 169 HD2 PRO 20 HD2 PRO 20 -10.629 -5.386 1.673 170 HD3 PRO 20 HD1 PRO 20 -11.943 -4.200 1.569 171 H ARG 21 HN ARG 21 -8.068 -4.492 1.935 172 HA ARG 21 HA ARG 21 -6.175 -4.422 4.181 173 HB2 ARG 21 HB2 ARG 21 -6.596 -6.566 2.096 174 HB3 ARG 21 HB1 ARG 21 -5.458 -6.650 3.431 175 HG2 ARG 21 HG2 ARG 21 -7.313 -6.571 5.018 176 HG3 ARG 21 HG1 ARG 21 -8.453 -6.504 3.672 177 HD2 ARG 21 HD2 ARG 21 -7.554 -8.677 2.874 178 HD3 ARG 21 HD1 ARG 21 -6.549 -8.748 4.322 179 HE ARG 21 HE ARG 21 -9.301 -8.373 4.962 180 HH11 ARG 21 HH11 ARG 21 -6.945 -10.790 4.034 181 HH12 ARG 21 HH12 ARG 21 -7.830 -12.103 4.736 182 HH21 ARG 21 HH21 ARG 21 -10.470 -10.108 5.884 183 HH22 ARG 21 HH22 ARG 21 -9.829 -11.718 5.787 184 H TYR 22 HN TYR 22 -3.989 -4.236 3.847 185 HA TYR 22 HA TYR 22 -3.083 -3.748 1.100 186 HB2 TYR 22 HB2 TYR 22 -2.327 -2.060 3.498 187 HB3 TYR 22 HB1 TYR 22 -1.687 -1.885 1.868 188 HD1 TYR 22 HD1 TYR 22 -3.032 -0.911 0.097 189 HD2 TYR 22 HD2 TYR 22 -4.581 -1.330 4.035 190 HE1 TYR 22 HE1 TYR 22 -4.868 0.617 -0.469 191 HE2 TYR 22 HE2 TYR 22 -6.420 0.197 3.480 192 HH TYR 22 HH TYR 22 -7.178 1.091 0.314 193 H GLU 23 HN GLU 23 -1.317 -4.836 0.588 194 HA GLU 23 HA GLU 23 0.120 -6.219 2.761 195 HB2 GLU 23 HB2 GLU 23 -0.213 -7.086 -0.118 196 HB3 GLU 23 HB1 GLU 23 0.593 -7.994 1.151 197 HG2 GLU 23 HG2 GLU 23 -1.475 -8.294 2.328 198 HG3 GLU 23 HG1 GLU 23 -2.320 -7.252 1.186 199 H VAL 24 HN VAL 24 2.191 -5.652 3.033 200 HA VAL 24 HA VAL 24 3.390 -3.820 1.160 201 HB VAL 24 HB VAL 24 4.530 -4.998 3.698 202 HG11 VAL 24 HG11 VAL 24 6.179 -3.212 3.581 203 HG12 VAL 24 HG12 VAL 24 5.478 -2.644 2.064 204 HG13 VAL 24 HG13 VAL 24 6.264 -4.223 2.136 205 HG21 VAL 24 HG21 VAL 24 2.545 -3.658 4.124 206 HG22 VAL 24 HG22 VAL 24 3.215 -2.336 3.169 207 HG23 VAL 24 HG23 VAL 24 3.989 -2.809 4.681 208 H HIS 25 HN HIS 25 4.339 -4.514 -0.595 209 HA HIS 25 HA HIS 25 5.761 -7.091 -0.555 210 HB2 HIS 25 HB2 HIS 25 3.774 -6.844 -2.103 211 HB3 HIS 25 HB1 HIS 25 4.681 -5.610 -2.962 212 HD1 HIS 25 HD1 HIS 25 3.862 -9.020 -3.222 213 HD2 HIS 25 HD2 HIS 25 7.357 -6.852 -3.819 214 HE1 HIS 25 HE1 HIS 25 5.304 -10.450 -4.701 215 HE2 HIS 25 HE2 HIS 25 7.360 -9.068 -5.146 216 H CYS 26 HN CYS 26 7.783 -6.412 0.050 217 HA CYS 26 HA CYS 26 8.979 -4.217 -1.482 218 HB2 CYS 26 HB2 CYS 26 8.942 -4.336 1.121 219 HB3 CYS 26 HB1 CYS 26 10.243 -5.504 0.917 220 HN1 NH2 27 HN1 NH2 27 9.183 -5.643 -3.325 221 HN2 NH2 27 HN2 NH2 27 10.491 -6.771 -3.396 Start of MODEL 9 1 H1 ASN 1 HT1 ASN 1 -6.203 6.343 -6.650 2 H2 ASN 1 HT2 ASN 1 -7.301 5.068 -6.493 3 H3 ASN 1 HT3 ASN 1 -5.666 4.822 -6.151 4 HA ASN 1 HA ASN 1 -7.458 6.631 -4.653 5 HB2 ASN 1 HB2 ASN 1 -6.426 3.868 -3.992 6 HB3 ASN 1 HB1 ASN 1 -7.171 4.941 -2.813 7 HD21 ASN 1 HD21 ASN 1 -9.376 5.348 -2.928 8 HD22 ASN 1 HD22 ASN 1 -10.440 4.370 -3.880 9 H ASP 2 HN ASP 2 -6.394 8.134 -3.567 10 HA ASP 2 HA ASP 2 -3.567 8.331 -3.745 11 HB2 ASP 2 HB2 ASP 2 -3.765 10.404 -2.607 12 HB3 ASP 2 HB1 ASP 2 -5.195 10.269 -3.618 13 H LYS 3 HN LYS 3 -5.674 6.891 -1.438 14 HA LYS 3 HA LYS 3 -4.006 6.954 0.827 15 HB2 LYS 3 HB2 LYS 3 -6.445 6.303 0.743 16 HB3 LYS 3 HB1 LYS 3 -5.936 4.752 0.094 17 HG2 LYS 3 HG2 LYS 3 -4.714 4.261 2.106 18 HG3 LYS 3 HG1 LYS 3 -5.081 5.861 2.753 19 HD2 LYS 3 HD2 LYS 3 -7.484 5.299 2.675 20 HD3 LYS 3 HD1 LYS 3 -7.065 3.679 2.122 21 HE2 LYS 3 HE2 LYS 3 -6.224 4.915 4.742 22 HE3 LYS 3 HE1 LYS 3 -7.525 3.745 4.531 23 HZ1 LYS 3 HZ1 LYS 3 -4.635 3.308 4.055 24 HZ2 LYS 3 HZ2 LYS 3 -5.841 2.201 3.618 25 HZ3 LYS 3 HZ3 LYS 3 -5.599 2.591 5.248 26 H CYS 4 HN CYS 4 -4.292 4.667 -1.845 27 HA CYS 4 HA CYS 4 -2.328 2.844 -0.931 28 HB2 CYS 4 HB2 CYS 4 -3.399 3.432 -3.695 29 HB3 CYS 4 HB1 CYS 4 -2.265 2.128 -3.351 30 H LYS 5 HN LYS 5 -2.233 5.801 -2.772 31 HA LYS 5 HA LYS 5 0.464 5.627 -3.622 32 HB2 LYS 5 HB2 LYS 5 -1.204 7.108 -4.671 33 HB3 LYS 5 HB1 LYS 5 -1.296 8.052 -3.192 34 HG2 LYS 5 HG2 LYS 5 1.079 8.648 -3.465 35 HG3 LYS 5 HG1 LYS 5 1.100 7.768 -4.994 36 HD2 LYS 5 HD2 LYS 5 -0.693 10.109 -4.354 37 HD3 LYS 5 HD1 LYS 5 0.791 10.194 -5.303 38 HE2 LYS 5 HE2 LYS 5 -1.681 8.608 -5.994 39 HE3 LYS 5 HE1 LYS 5 -1.168 10.114 -6.750 40 HZ1 LYS 5 HZ1 LYS 5 0.358 7.569 -6.808 41 HZ2 LYS 5 HZ2 LYS 5 0.802 9.009 -7.571 42 HZ3 LYS 5 HZ3 LYS 5 -0.575 8.175 -8.077 43 H GLU 6 HN GLU 6 -1.157 7.030 -0.832 44 HA GLU 6 HA GLU 6 1.041 8.257 0.390 45 HB2 GLU 6 HB2 GLU 6 -1.518 7.092 1.465 46 HB3 GLU 6 HB1 GLU 6 -0.323 7.819 2.529 47 HG2 GLU 6 HG2 GLU 6 -1.539 9.265 0.196 48 HG3 GLU 6 HG1 GLU 6 -2.215 9.303 1.821 49 H LEU 7 HN LEU 7 -0.341 5.021 0.838 50 HA LEU 7 HA LEU 7 1.612 4.121 2.661 51 HB2 LEU 7 HB2 LEU 7 -0.179 2.620 0.762 52 HB3 LEU 7 HB1 LEU 7 0.830 1.837 1.961 53 HG LEU 7 HG LEU 7 -1.299 3.858 2.668 54 HD11 LEU 7 HD11 LEU 7 -2.339 1.939 1.581 55 HD12 LEU 7 HD12 LEU 7 -2.688 1.952 3.309 56 HD13 LEU 7 HD13 LEU 7 -1.475 0.846 2.663 57 HD21 LEU 7 HD21 LEU 7 -1.070 2.919 4.898 58 HD22 LEU 7 HD22 LEU 7 0.481 3.530 4.329 59 HD23 LEU 7 HD23 LEU 7 0.158 1.796 4.320 60 H LYS 8 HN LYS 8 1.428 4.030 -0.850 61 HA LYS 8 HA LYS 8 3.628 2.377 -1.341 62 HB2 LYS 8 HB2 LYS 8 1.919 3.157 -3.015 63 HB3 LYS 8 HB1 LYS 8 2.748 4.707 -3.044 64 HG2 LYS 8 HG2 LYS 8 4.818 3.484 -3.737 65 HG3 LYS 8 HG1 LYS 8 3.822 2.039 -3.906 66 HD2 LYS 8 HD2 LYS 8 2.402 3.239 -5.523 67 HD3 LYS 8 HD1 LYS 8 3.467 4.639 -5.390 68 HE2 LYS 8 HE2 LYS 8 4.190 1.899 -6.410 69 HE3 LYS 8 HE1 LYS 8 4.047 3.375 -7.359 70 HZ1 LYS 8 HZ1 LYS 8 6.054 2.861 -5.231 71 HZ2 LYS 8 HZ2 LYS 8 5.917 4.295 -6.116 72 HZ3 LYS 8 HZ3 LYS 8 6.349 2.859 -6.895 73 H LYS 9 HN LYS 9 3.434 5.906 -1.002 74 HA LYS 9 HA LYS 9 6.223 6.319 -1.402 75 HB2 LYS 9 HB2 LYS 9 4.462 8.060 -1.738 76 HB3 LYS 9 HB1 LYS 9 4.256 8.128 0.005 77 HG2 LYS 9 HG2 LYS 9 5.647 9.950 -0.694 78 HG3 LYS 9 HG1 LYS 9 6.624 8.801 0.221 79 HD2 LYS 9 HD2 LYS 9 7.420 7.837 -1.912 80 HD3 LYS 9 HD1 LYS 9 6.498 9.063 -2.782 81 HE2 LYS 9 HE2 LYS 9 8.780 9.775 -2.658 82 HE3 LYS 9 HE1 LYS 9 7.814 10.806 -1.608 83 HZ1 LYS 9 HZ1 LYS 9 9.941 10.080 -0.618 84 HZ2 LYS 9 HZ2 LYS 9 9.393 8.483 -0.656 85 HZ3 LYS 9 HZ3 LYS 9 8.595 9.623 0.299 86 H ARG 10 HN ARG 10 4.176 5.817 1.388 87 HA ARG 10 HA ARG 10 5.963 6.529 3.416 88 HB2 ARG 10 HB2 ARG 10 3.588 6.203 3.807 89 HB3 ARG 10 HB1 ARG 10 3.725 4.502 3.400 90 HG2 ARG 10 HG2 ARG 10 5.074 4.095 5.358 91 HG3 ARG 10 HG1 ARG 10 5.066 5.818 5.749 92 HD2 ARG 10 HD2 ARG 10 2.730 5.794 6.187 93 HD3 ARG 10 HD1 ARG 10 2.551 4.174 5.518 94 HE ARG 10 HE ARG 10 4.320 3.910 7.605 95 HH11 ARG 10 HH11 ARG 10 0.549 4.591 8.827 96 HH12 ARG 10 HH12 ARG 10 1.047 5.109 7.246 97 HH21 ARG 10 HH21 ARG 10 3.673 3.237 9.685 98 HH22 ARG 10 HH22 ARG 10 2.047 3.528 10.217 99 H TYR 11 HN TYR 11 5.444 3.447 1.769 100 HA TYR 11 HA TYR 11 7.584 2.244 3.355 101 HB2 TYR 11 HB2 TYR 11 5.533 1.043 1.503 102 HB3 TYR 11 HB1 TYR 11 6.819 0.117 2.267 103 HD1 TYR 11 HD1 TYR 11 6.840 -0.186 4.730 104 HD2 TYR 11 HD2 TYR 11 3.618 1.740 2.731 105 HE1 TYR 11 HE1 TYR 11 5.429 -0.486 6.716 106 HE2 TYR 11 HE2 TYR 11 2.199 1.448 4.716 107 HH TYR 11 HH TYR 11 3.440 0.537 7.741 108 H ORN 12 HT1 ORN 12 11.476 0.935 -4.216 109 HA ORN 12 HA ORN 12 10.941 1.570 -1.378 110 HB2 ORN 12 HB1 ORN 12 9.190 2.066 -3.798 111 HB3 ORN 12 HB2 ORN 12 10.174 3.305 -3.032 112 HG2 ORN 12 HG1 ORN 12 8.034 1.756 -1.596 113 HG3 ORN 12 HG2 ORN 12 7.769 3.313 -2.377 114 HD2 ORN 12 HD1 ORN 12 9.131 4.443 -0.875 115 HD3 ORN 12 HD2 ORN 12 9.957 2.975 -0.368 116 HE1 ORN 12 HE ORN 12 7.444 3.987 0.629 117 H CYS 13 HN CYS 13 9.233 0.308 -0.459 118 HA CYS 13 HA CYS 13 9.178 -2.401 -1.340 119 HB2 CYS 13 HB2 CYS 13 7.351 -1.034 0.640 120 HB3 CYS 13 HB1 CYS 13 7.610 -2.765 0.486 121 H GLU 14 HN GLU 14 7.405 -3.595 -2.125 122 HA GLU 14 HA GLU 14 5.658 -2.070 -3.869 123 HB2 GLU 14 HB2 GLU 14 6.045 -5.040 -3.479 124 HB3 GLU 14 HB1 GLU 14 4.912 -4.343 -4.628 125 HG2 GLU 14 HG2 GLU 14 6.761 -3.272 -5.801 126 HG3 GLU 14 HG1 GLU 14 7.898 -3.965 -4.645 127 H VAL 15 HN VAL 15 3.782 -1.358 -3.186 128 HA VAL 15 HA VAL 15 2.445 -2.803 -1.006 129 HB VAL 15 HB VAL 15 2.093 0.084 -1.827 130 HG11 VAL 15 HG11 VAL 15 0.768 0.291 0.223 131 HG12 VAL 15 HG12 VAL 15 0.941 -1.441 0.506 132 HG13 VAL 15 HG13 VAL 15 0.050 -0.861 -0.900 133 HG21 VAL 15 HG21 VAL 15 3.186 0.597 0.322 134 HG22 VAL 15 HG22 VAL 15 4.254 -0.248 -0.800 135 HG23 VAL 15 HG23 VAL 15 3.514 -1.122 0.540 136 H ARG 16 HN ARG 16 0.754 -3.945 -1.580 137 HA ARG 16 HA ARG 16 -0.798 -3.135 -3.952 138 HB2 ARG 16 HB2 ARG 16 -0.760 -5.797 -2.528 139 HB3 ARG 16 HB1 ARG 16 -1.699 -5.417 -3.955 140 HG2 ARG 16 HG2 ARG 16 0.356 -5.119 -5.234 141 HG3 ARG 16 HG1 ARG 16 1.304 -5.499 -3.791 142 HD2 ARG 16 HD2 ARG 16 0.146 -7.691 -3.678 143 HD3 ARG 16 HD1 ARG 16 -0.647 -7.310 -5.204 144 HE ARG 16 HE ARG 16 1.961 -7.043 -5.820 145 HH11 ARG 16 HH11 ARG 16 0.152 -9.572 -4.219 146 HH12 ARG 16 HH12 ARG 16 1.208 -10.844 -4.749 147 HH21 ARG 16 HH21 ARG 16 3.021 -10.357 -6.070 148 HH22 ARG 16 HH22 ARG 16 3.357 -8.716 -6.528 149 H CYS 17 HN CYS 17 -3.080 -3.106 -3.801 150 HA CYS 17 HA CYS 17 -4.080 -2.875 -1.045 151 HB2 CYS 17 HB2 CYS 17 -4.984 -1.353 -3.499 152 HB3 CYS 17 HB1 CYS 17 -5.661 -1.181 -1.883 153 H ASP 18 HN ASP 18 -5.544 -4.339 -0.528 154 HA ASP 18 HA ASP 18 -7.223 -5.480 -2.660 155 HB2 ASP 18 HB2 ASP 18 -5.404 -7.032 -1.759 156 HB3 ASP 18 HB1 ASP 18 -6.286 -7.016 -0.237 157 HA DPR 19 HA DPR 19 -10.774 -4.569 -0.116 158 HB2 DPR 19 HB1 DPR 19 -10.472 -1.798 -1.093 159 HB3 DPR 19 HB2 DPR 19 -11.862 -2.881 -1.187 160 HG2 DPR 19 HG1 DPR 19 -10.380 -2.325 -3.344 161 HG3 DPR 19 HG2 DPR 19 -11.080 -3.934 -3.088 162 HD2 DPR 19 HD1 DPR 19 -8.264 -3.008 -2.712 163 HD3 DPR 19 HD2 DPR 19 -8.877 -4.564 -3.310 164 HA PRO 20 HA PRO 20 -9.523 -1.886 3.270 165 HB2 PRO 20 HB2 PRO 20 -10.136 -3.570 5.261 166 HB3 PRO 20 HB1 PRO 20 -11.387 -2.736 4.334 167 HG2 PRO 20 HG2 PRO 20 -10.391 -5.546 4.066 168 HG3 PRO 20 HG1 PRO 20 -12.057 -4.942 4.030 169 HD2 PRO 20 HD2 PRO 20 -10.615 -5.536 1.783 170 HD3 PRO 20 HD1 PRO 20 -11.921 -4.336 1.830 171 H ARG 21 HN ARG 21 -8.014 -4.666 2.118 172 HA ARG 21 HA ARG 21 -6.041 -4.656 4.307 173 HB2 ARG 21 HB2 ARG 21 -6.516 -6.771 2.202 174 HB3 ARG 21 HB1 ARG 21 -5.352 -6.870 3.516 175 HG2 ARG 21 HG2 ARG 21 -8.342 -6.741 3.814 176 HG3 ARG 21 HG1 ARG 21 -7.342 -8.182 3.983 177 HD2 ARG 21 HD2 ARG 21 -6.193 -7.156 5.885 178 HD3 ARG 21 HD1 ARG 21 -7.190 -5.712 5.710 179 HE ARG 21 HE ARG 21 -8.621 -8.210 6.083 180 HH11 ARG 21 HH11 ARG 21 -7.261 -5.363 7.614 181 HH12 ARG 21 HH12 ARG 21 -8.298 -5.465 9.002 182 HH21 ARG 21 HH21 ARG 21 -9.968 -8.349 7.915 183 HH22 ARG 21 HH22 ARG 21 -9.827 -7.166 9.176 184 H TYR 22 HN TYR 22 -3.795 -4.805 3.746 185 HA TYR 22 HA TYR 22 -3.126 -3.958 1.020 186 HB2 TYR 22 HB2 TYR 22 -2.050 -2.652 3.532 187 HB3 TYR 22 HB1 TYR 22 -1.552 -2.282 1.888 188 HD1 TYR 22 HD1 TYR 22 -2.962 -0.983 0.425 189 HD2 TYR 22 HD2 TYR 22 -4.199 -1.911 4.384 190 HE1 TYR 22 HE1 TYR 22 -4.723 0.717 0.264 191 HE2 TYR 22 HE2 TYR 22 -5.964 -0.212 4.239 192 HH TYR 22 HH TYR 22 -6.447 1.840 2.950 193 H GLU 23 HN GLU 23 -1.192 -4.705 0.280 194 HA GLU 23 HA GLU 23 0.261 -6.562 2.051 195 HB2 GLU 23 HB2 GLU 23 -0.146 -6.537 -0.929 196 HB3 GLU 23 HB1 GLU 23 1.127 -7.478 -0.182 197 HG2 GLU 23 HG2 GLU 23 -1.771 -7.773 0.533 198 HG3 GLU 23 HG1 GLU 23 -0.975 -8.720 -0.724 199 H VAL 24 HN VAL 24 2.080 -5.698 2.799 200 HA VAL 24 HA VAL 24 3.554 -3.828 1.081 201 HB VAL 24 HB VAL 24 3.800 -4.290 4.062 202 HG11 VAL 24 HG11 VAL 24 5.228 -2.312 2.285 203 HG12 VAL 24 HG12 VAL 24 5.954 -3.717 3.065 204 HG13 VAL 24 HG13 VAL 24 5.338 -2.384 4.043 205 HG21 VAL 24 HG21 VAL 24 2.725 -1.940 2.506 206 HG22 VAL 24 HG22 VAL 24 2.891 -2.028 4.260 207 HG23 VAL 24 HG23 VAL 24 1.764 -3.098 3.425 208 H HIS 25 HN HIS 25 4.926 -4.903 -0.141 209 HA HIS 25 HA HIS 25 6.447 -7.121 1.052 210 HB2 HIS 25 HB2 HIS 25 5.582 -6.595 -1.784 211 HB3 HIS 25 HB1 HIS 25 6.824 -7.772 -1.389 212 HD1 HIS 25 HD1 HIS 25 5.922 -10.063 -1.245 213 HD2 HIS 25 HD2 HIS 25 3.105 -7.228 -0.122 214 HE1 HIS 25 HE1 HIS 25 3.841 -11.361 -0.693 215 HE2 HIS 25 HE2 HIS 25 2.209 -9.639 0.172 216 H CYS 26 HN CYS 26 8.289 -6.290 1.773 217 HA CYS 26 HA CYS 26 9.731 -4.340 0.153 218 HB2 CYS 26 HB2 CYS 26 10.233 -5.354 2.959 219 HB3 CYS 26 HB1 CYS 26 11.188 -4.116 2.148 220 HN1 NH2 27 HN1 NH2 27 10.290 -5.836 -1.485 221 HN2 NH2 27 HN2 NH2 27 11.564 -6.980 -1.252 Start of MODEL 10 1 H1 ASN 1 HT1 ASN 1 -8.881 6.429 -4.966 2 H2 ASN 1 HT2 ASN 1 -7.960 7.842 -4.841 3 H3 ASN 1 HT3 ASN 1 -8.094 6.795 -3.517 4 HA ASN 1 HA ASN 1 -6.907 5.084 -4.663 5 HB2 ASN 1 HB2 ASN 1 -5.951 5.458 -6.864 6 HB3 ASN 1 HB1 ASN 1 -7.692 5.703 -6.936 7 HD21 ASN 1 HD21 ASN 1 -5.556 6.690 -8.673 8 HD22 ASN 1 HD22 ASN 1 -5.719 8.413 -8.685 9 H ASP 2 HN ASP 2 -6.561 8.009 -3.330 10 HA ASP 2 HA ASP 2 -3.762 8.444 -3.880 11 HB2 ASP 2 HB2 ASP 2 -3.908 10.339 -2.383 12 HB3 ASP 2 HB1 ASP 2 -5.280 10.357 -3.485 13 H LYS 3 HN LYS 3 -5.630 6.783 -1.468 14 HA LYS 3 HA LYS 3 -3.752 6.836 0.631 15 HB2 LYS 3 HB2 LYS 3 -6.082 6.188 0.997 16 HB3 LYS 3 HB1 LYS 3 -5.857 4.762 -0.001 17 HG2 LYS 3 HG2 LYS 3 -5.808 4.127 2.306 18 HG3 LYS 3 HG1 LYS 3 -4.199 3.922 1.616 19 HD2 LYS 3 HD2 LYS 3 -3.910 4.915 3.756 20 HD3 LYS 3 HD1 LYS 3 -3.622 6.182 2.567 21 HE2 LYS 3 HE2 LYS 3 -6.004 6.896 2.886 22 HE3 LYS 3 HE1 LYS 3 -6.103 5.748 4.216 23 HZ1 LYS 3 HZ1 LYS 3 -4.282 6.947 5.304 24 HZ2 LYS 3 HZ2 LYS 3 -5.623 7.940 5.044 25 HZ3 LYS 3 HZ3 LYS 3 -4.269 8.073 4.044 26 H CYS 4 HN CYS 4 -4.258 4.604 -2.046 27 HA CYS 4 HA CYS 4 -2.349 2.686 -1.355 28 HB2 CYS 4 HB2 CYS 4 -3.415 3.585 -4.027 29 HB3 CYS 4 HB1 CYS 4 -2.283 2.247 -3.864 30 H LYS 5 HN LYS 5 -2.036 5.749 -3.037 31 HA LYS 5 HA LYS 5 0.712 5.347 -3.735 32 HB2 LYS 5 HB2 LYS 5 -1.026 7.819 -3.735 33 HB3 LYS 5 HB1 LYS 5 0.631 7.784 -4.328 34 HG2 LYS 5 HG2 LYS 5 -0.006 6.137 -6.016 35 HG3 LYS 5 HG1 LYS 5 -1.666 6.168 -5.420 36 HD2 LYS 5 HD2 LYS 5 -1.825 8.540 -5.990 37 HD3 LYS 5 HD1 LYS 5 -0.162 8.512 -6.577 38 HE2 LYS 5 HE2 LYS 5 -2.447 6.885 -7.685 39 HE3 LYS 5 HE1 LYS 5 -1.786 8.349 -8.409 40 HZ1 LYS 5 HZ1 LYS 5 -0.350 5.777 -8.018 41 HZ2 LYS 5 HZ2 LYS 5 0.351 7.194 -8.621 42 HZ3 LYS 5 HZ3 LYS 5 -0.877 6.428 -9.490 43 H GLU 6 HN GLU 6 -1.029 6.957 -1.138 44 HA GLU 6 HA GLU 6 1.160 8.231 0.075 45 HB2 GLU 6 HB2 GLU 6 -1.444 7.192 1.183 46 HB3 GLU 6 HB1 GLU 6 -0.258 8.005 2.192 47 HG2 GLU 6 HG2 GLU 6 -1.574 9.192 -0.239 48 HG3 GLU 6 HG1 GLU 6 -2.036 9.503 1.432 49 H LEU 7 HN LEU 7 -0.276 5.041 0.583 50 HA LEU 7 HA LEU 7 1.590 4.182 2.523 51 HB2 LEU 7 HB2 LEU 7 -0.206 2.663 0.646 52 HB3 LEU 7 HB1 LEU 7 0.750 1.897 1.899 53 HG LEU 7 HG LEU 7 -1.244 4.057 2.547 54 HD11 LEU 7 HD11 LEU 7 -1.747 1.087 2.415 55 HD12 LEU 7 HD12 LEU 7 -2.453 2.309 1.359 56 HD13 LEU 7 HD13 LEU 7 -2.850 2.295 3.076 57 HD21 LEU 7 HD21 LEU 7 0.430 3.481 4.246 58 HD22 LEU 7 HD22 LEU 7 -0.081 1.795 4.166 59 HD23 LEU 7 HD23 LEU 7 -1.197 3.029 4.748 60 H LYS 8 HN LYS 8 1.473 3.954 -0.986 61 HA LYS 8 HA LYS 8 3.655 2.289 -1.430 62 HB2 LYS 8 HB2 LYS 8 2.131 2.972 -3.200 63 HB3 LYS 8 HB1 LYS 8 2.661 4.641 -3.049 64 HG2 LYS 8 HG2 LYS 8 4.895 3.993 -3.799 65 HG3 LYS 8 HG1 LYS 8 4.349 2.324 -3.965 66 HD2 LYS 8 HD2 LYS 8 2.708 3.018 -5.632 67 HD3 LYS 8 HD1 LYS 8 3.226 4.695 -5.452 68 HE2 LYS 8 HE2 LYS 8 4.215 3.640 -7.430 69 HE3 LYS 8 HE1 LYS 8 5.442 4.123 -6.262 70 HZ1 LYS 8 HZ1 LYS 8 4.372 1.371 -6.569 71 HZ2 LYS 8 HZ2 LYS 8 5.601 1.850 -5.513 72 HZ3 LYS 8 HZ3 LYS 8 5.852 1.911 -7.183 73 H LYS 9 HN LYS 9 3.566 5.815 -1.010 74 HA LYS 9 HA LYS 9 6.411 6.092 -1.234 75 HB2 LYS 9 HB2 LYS 9 4.160 7.909 -0.474 76 HB3 LYS 9 HB1 LYS 9 5.806 8.391 -0.104 77 HG2 LYS 9 HG2 LYS 9 5.114 9.381 -2.182 78 HG3 LYS 9 HG1 LYS 9 6.377 8.198 -2.493 79 HD2 LYS 9 HD2 LYS 9 4.764 6.605 -3.288 80 HD3 LYS 9 HD1 LYS 9 3.430 7.657 -2.810 81 HE2 LYS 9 HE2 LYS 9 3.750 7.834 -5.186 82 HE3 LYS 9 HE1 LYS 9 4.241 9.346 -4.428 83 HZ1 LYS 9 HZ1 LYS 9 6.554 8.603 -4.586 84 HZ2 LYS 9 HZ2 LYS 9 5.821 8.691 -6.105 85 HZ3 LYS 9 HZ3 LYS 9 6.054 7.190 -5.366 86 H ARG 10 HN ARG 10 4.119 5.769 1.391 87 HA ARG 10 HA ARG 10 5.796 6.407 3.546 88 HB2 ARG 10 HB2 ARG 10 3.390 6.308 3.768 89 HB3 ARG 10 HB1 ARG 10 3.388 4.601 3.362 90 HG2 ARG 10 HG2 ARG 10 4.536 4.073 5.427 91 HG3 ARG 10 HG1 ARG 10 4.628 5.793 5.830 92 HD2 ARG 10 HD2 ARG 10 2.260 5.957 6.028 93 HD3 ARG 10 HD1 ARG 10 2.027 4.355 5.338 94 HE ARG 10 HE ARG 10 3.551 4.067 7.661 95 HH11 ARG 10 HH11 ARG 10 -0.402 4.570 8.196 96 HH12 ARG 10 HH12 ARG 10 0.343 5.082 6.716 97 HH21 ARG 10 HH21 ARG 10 2.581 3.376 9.619 98 HH22 ARG 10 HH22 ARG 10 0.877 3.593 9.853 99 H TYR 11 HN TYR 11 5.244 3.388 1.822 100 HA TYR 11 HA TYR 11 6.963 1.971 3.693 101 HB2 TYR 11 HB2 TYR 11 5.107 1.105 1.516 102 HB3 TYR 11 HB1 TYR 11 6.340 -0.000 2.111 103 HD1 TYR 11 HD1 TYR 11 6.145 -1.041 4.229 104 HD2 TYR 11 HD2 TYR 11 3.360 1.959 3.075 105 HE1 TYR 11 HE1 TYR 11 4.734 -1.621 6.155 106 HE2 TYR 11 HE2 TYR 11 1.942 1.389 4.998 107 HH TYR 11 HH TYR 11 1.527 -0.403 6.520 108 H ORN 12 HT1 ORN 12 12.945 1.754 -1.902 109 HA ORN 12 HA ORN 12 11.197 1.251 -0.314 110 HB2 ORN 12 HB1 ORN 12 10.143 2.380 -2.922 111 HB3 ORN 12 HB2 ORN 12 11.086 3.288 -1.749 112 HG2 ORN 12 HG1 ORN 12 8.435 2.004 -1.130 113 HG3 ORN 12 HG2 ORN 12 8.625 3.682 -1.641 114 HD2 ORN 12 HD1 ORN 12 9.712 4.287 0.310 115 HD3 ORN 12 HD2 ORN 12 10.169 2.632 0.690 116 HE1 ORN 12 HE ORN 12 7.627 3.911 1.257 117 H CYS 13 HN CYS 13 9.270 0.189 0.181 118 HA CYS 13 HA CYS 13 8.745 -2.160 -1.437 119 HB2 CYS 13 HB2 CYS 13 7.372 -1.330 1.117 120 HB3 CYS 13 HB1 CYS 13 7.438 -2.937 0.412 121 H GLU 14 HN GLU 14 6.830 -2.593 -2.467 122 HA GLU 14 HA GLU 14 5.040 -0.289 -2.841 123 HB2 GLU 14 HB2 GLU 14 5.387 -2.769 -4.530 124 HB3 GLU 14 HB1 GLU 14 4.327 -1.418 -4.904 125 HG2 GLU 14 HG2 GLU 14 6.298 0.045 -5.073 126 HG3 GLU 14 HG1 GLU 14 7.333 -1.351 -4.766 127 H VAL 15 HN VAL 15 2.916 -0.447 -2.298 128 HA VAL 15 HA VAL 15 2.189 -2.896 -0.883 129 HB VAL 15 HB VAL 15 0.431 -1.651 0.209 130 HG11 VAL 15 HG11 VAL 15 2.691 -1.538 1.150 131 HG12 VAL 15 HG12 VAL 15 1.765 -0.076 1.485 132 HG13 VAL 15 HG13 VAL 15 2.998 -0.068 0.225 133 HG21 VAL 15 HG21 VAL 15 -0.227 -0.201 -1.639 134 HG22 VAL 15 HG22 VAL 15 1.278 0.703 -1.474 135 HG23 VAL 15 HG23 VAL 15 0.087 0.734 -0.176 136 H ARG 16 HN ARG 16 0.465 -4.104 -1.366 137 HA ARG 16 HA ARG 16 -0.916 -3.538 -3.895 138 HB2 ARG 16 HB2 ARG 16 0.254 -5.735 -3.656 139 HB3 ARG 16 HB1 ARG 16 -0.813 -6.112 -2.313 140 HG2 ARG 16 HG2 ARG 16 -2.740 -5.817 -3.912 141 HG3 ARG 16 HG1 ARG 16 -1.541 -5.775 -5.208 142 HD2 ARG 16 HD2 ARG 16 -2.047 -8.020 -3.260 143 HD3 ARG 16 HD1 ARG 16 -2.410 -8.011 -4.984 144 HE ARG 16 HE ARG 16 0.319 -7.549 -4.729 145 HH11 ARG 16 HH11 ARG 16 -1.968 -10.110 -4.034 146 HH12 ARG 16 HH12 ARG 16 -0.789 -11.373 -4.183 147 HH21 ARG 16 HH21 ARG 16 1.394 -10.858 -4.685 148 HH22 ARG 16 HH22 ARG 16 1.872 -9.204 -4.918 149 H CYS 17 HN CYS 17 -2.895 -2.756 -3.761 150 HA CYS 17 HA CYS 17 -4.177 -2.634 -1.172 151 HB2 CYS 17 HB2 CYS 17 -5.042 -1.455 -3.817 152 HB3 CYS 17 HB1 CYS 17 -5.665 -1.027 -2.227 153 H ASP 18 HN ASP 18 -5.279 -4.366 -0.592 154 HA ASP 18 HA ASP 18 -7.137 -5.556 -2.544 155 HB2 ASP 18 HB2 ASP 18 -5.235 -7.048 -1.717 156 HB3 ASP 18 HB1 ASP 18 -5.999 -6.975 -0.132 157 HA DPR 19 HA DPR 19 -10.569 -4.652 0.144 158 HB2 DPR 19 HB1 DPR 19 -10.352 -1.904 -0.934 159 HB3 DPR 19 HB2 DPR 19 -11.739 -2.996 -0.897 160 HG2 DPR 19 HG1 DPR 19 -10.411 -2.530 -3.161 161 HG3 DPR 19 HG2 DPR 19 -11.059 -4.136 -2.787 162 HD2 DPR 19 HD1 DPR 19 -8.245 -3.144 -2.645 163 HD3 DPR 19 HD2 DPR 19 -8.861 -4.738 -3.123 164 HA PRO 20 HA PRO 20 -9.304 -1.828 3.395 165 HB2 PRO 20 HB2 PRO 20 -9.807 -3.461 5.457 166 HB3 PRO 20 HB1 PRO 20 -11.108 -2.703 4.535 167 HG2 PRO 20 HG2 PRO 20 -10.027 -5.486 4.342 168 HG3 PRO 20 HG1 PRO 20 -11.711 -4.939 4.326 169 HD2 PRO 20 HD2 PRO 20 -10.298 -5.566 2.068 170 HD3 PRO 20 HD1 PRO 20 -11.649 -4.418 2.102 171 H ARG 21 HN ARG 21 -7.694 -4.490 2.218 172 HA ARG 21 HA ARG 21 -5.658 -4.383 4.346 173 HB2 ARG 21 HB2 ARG 21 -6.160 -6.585 2.340 174 HB3 ARG 21 HB1 ARG 21 -4.938 -6.601 3.604 175 HG2 ARG 21 HG2 ARG 21 -6.765 -6.460 5.283 176 HG3 ARG 21 HG1 ARG 21 -7.924 -6.637 3.962 177 HD2 ARG 21 HD2 ARG 21 -6.874 -8.783 3.366 178 HD3 ARG 21 HD1 ARG 21 -5.770 -8.606 4.729 179 HE ARG 21 HE ARG 21 -8.609 -9.263 4.842 180 HH11 ARG 21 HH11 ARG 21 -5.696 -8.406 6.590 181 HH12 ARG 21 HH12 ARG 21 -6.251 -9.073 8.090 182 HH21 ARG 21 HH21 ARG 21 -9.346 -10.121 6.816 183 HH22 ARG 21 HH22 ARG 21 -8.327 -10.050 8.221 184 H TYR 22 HN TYR 22 -3.497 -4.216 3.790 185 HA TYR 22 HA TYR 22 -2.892 -3.712 0.961 186 HB2 TYR 22 HB2 TYR 22 -1.877 -2.069 3.291 187 HB3 TYR 22 HB1 TYR 22 -1.392 -1.875 1.613 188 HD1 TYR 22 HD1 TYR 22 -2.833 -0.788 0.020 189 HD2 TYR 22 HD2 TYR 22 -4.104 -1.381 4.035 190 HE1 TYR 22 HE1 TYR 22 -4.682 0.784 -0.342 191 HE2 TYR 22 HE2 TYR 22 -5.958 0.191 3.686 192 HH TYR 22 HH TYR 22 -6.916 1.257 0.618 193 H GLU 23 HN GLU 23 -1.507 -5.196 0.343 194 HA GLU 23 HA GLU 23 0.183 -6.551 2.280 195 HB2 GLU 23 HB2 GLU 23 -0.273 -6.998 -0.672 196 HB3 GLU 23 HB1 GLU 23 0.855 -7.940 0.288 197 HG2 GLU 23 HG2 GLU 23 -2.103 -7.738 0.794 198 HG3 GLU 23 HG1 GLU 23 -1.294 -9.073 -0.026 199 H VAL 24 HN VAL 24 2.451 -6.618 2.167 200 HA VAL 24 HA VAL 24 3.557 -4.220 0.884 201 HB VAL 24 HB VAL 24 4.585 -5.715 3.305 202 HG11 VAL 24 HG11 VAL 24 6.379 -4.654 2.029 203 HG12 VAL 24 HG12 VAL 24 6.123 -3.832 3.568 204 HG13 VAL 24 HG13 VAL 24 5.511 -3.119 2.075 205 HG21 VAL 24 HG21 VAL 24 3.845 -3.757 4.575 206 HG22 VAL 24 HG22 VAL 24 2.492 -4.531 3.751 207 HG23 VAL 24 HG23 VAL 24 3.185 -3.045 3.100 208 H HIS 25 HN HIS 25 4.696 -4.609 -0.863 209 HA HIS 25 HA HIS 25 6.251 -7.106 -1.020 210 HB2 HIS 25 HB2 HIS 25 4.463 -6.851 -2.732 211 HB3 HIS 25 HB1 HIS 25 5.248 -5.383 -3.295 212 HD1 HIS 25 HD1 HIS 25 5.442 -9.082 -3.478 213 HD2 HIS 25 HD2 HIS 25 7.678 -5.805 -4.716 214 HE1 HIS 25 HE1 HIS 25 7.091 -9.977 -5.149 215 HE2 HIS 25 HE2 HIS 25 8.501 -7.995 -5.804 216 H CYS 26 HN CYS 26 8.178 -6.493 -0.186 217 HA CYS 26 HA CYS 26 9.407 -3.998 -0.990 218 HB2 CYS 26 HB2 CYS 26 10.385 -6.198 0.837 219 HB3 CYS 26 HB1 CYS 26 11.219 -4.671 0.564 220 HN1 NH2 27 HN1 NH2 27 10.709 -7.299 -0.858 221 HN2 NH2 27 HN2 NH2 27 11.539 -7.213 -2.371
Contact the webmaster for help, if required. Monday, July 1, 2024 5:04:07 AM GMT (wattos1)