NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637212 | 6gw7 | 34292 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 28.375 -5.559 13.186 2 H2 MET 1 HT2 MET 1 28.873 -7.008 12.451 3 H3 MET 1 HT3 MET 1 29.036 -6.809 14.129 4 HA MET 1 HA MET 1 26.692 -6.720 14.404 5 HB2 MET 1 HB2 MET 1 26.648 -7.140 11.348 6 HB3 MET 1 HB1 MET 1 25.215 -7.410 12.405 7 HG2 MET 1 HG2 MET 1 25.278 -5.075 13.165 8 HG3 MET 1 HG1 MET 1 26.723 -4.750 12.151 9 HE1 MET 1 HE1 MET 1 23.941 -2.656 10.433 10 HE2 MET 1 HE2 MET 1 25.580 -2.690 11.168 11 HE3 MET 1 HE3 MET 1 24.132 -3.012 12.184 12 H LEU 2 HN LEU 2 27.134 -9.003 11.683 13 HA LEU 2 HA LEU 2 26.639 -11.161 13.516 14 HB2 LEU 2 HB2 LEU 2 25.709 -10.638 11.001 15 HB3 LEU 2 HB1 LEU 2 27.139 -11.602 10.548 16 HG LEU 2 HG LEU 2 26.233 -13.423 12.167 17 HD11 LEU 2 HD11 LEU 2 23.711 -11.639 12.048 18 HD12 LEU 2 HD12 LEU 2 24.679 -12.007 13.519 19 HD13 LEU 2 HD13 LEU 2 23.773 -13.325 12.692 20 HD21 LEU 2 HD21 LEU 2 24.590 -14.288 10.513 21 HD22 LEU 2 HD22 LEU 2 26.043 -13.600 9.696 22 HD23 LEU 2 HD23 LEU 2 24.501 -12.664 9.731 23 H LYS 3 HN LYS 3 27.957 -13.255 13.151 24 HA LYS 3 HA LYS 3 30.746 -12.538 13.420 25 HB2 LYS 3 HB2 LYS 3 29.496 -14.023 15.052 26 HB3 LYS 3 HB1 LYS 3 29.423 -15.292 13.795 27 HG2 LYS 3 HG2 LYS 3 32.056 -14.007 14.775 28 HG3 LYS 3 HG1 LYS 3 31.270 -15.367 15.644 29 HD2 LYS 3 HD2 LYS 3 31.489 -16.847 13.697 30 HD3 LYS 3 HD1 LYS 3 32.199 -15.519 12.720 31 HE2 LYS 3 HE2 LYS 3 34.134 -15.358 14.341 32 HE3 LYS 3 HE1 LYS 3 33.457 -16.772 15.251 33 HZ1 LYS 3 HZ1 LYS 3 33.656 -18.076 13.238 34 HZ2 LYS 3 HZ2 LYS 3 35.153 -17.418 13.701 35 HZ3 LYS 3 HZ3 LYS 3 34.295 -16.745 12.398 36 H ASP 4 HN ASP 4 31.997 -12.504 11.633 37 HA ASP 4 HA ASP 4 31.215 -14.110 9.311 38 HB2 ASP 4 HB2 ASP 4 33.263 -11.822 9.563 39 HB3 ASP 4 HB1 ASP 4 32.831 -12.686 8.038 40 H TYR 5 HN TYR 5 32.825 -15.380 8.246 41 HA TYR 5 HA TYR 5 34.646 -16.606 10.185 42 HB2 TYR 5 HB2 TYR 5 33.409 -17.728 7.637 43 HB3 TYR 5 HB1 TYR 5 34.462 -18.645 8.792 44 HD1 TYR 5 HD1 TYR 5 33.674 -19.101 11.091 45 HD2 TYR 5 HD2 TYR 5 31.091 -17.273 8.183 46 HE1 TYR 5 HE1 TYR 5 31.726 -19.570 12.531 47 HE2 TYR 5 HE2 TYR 5 29.140 -17.735 9.619 48 HH TYR 5 HH TYR 5 29.498 -19.378 12.798 49 H HIS 6 HN HIS 6 35.638 -17.922 7.516 50 HA HIS 6 HA HIS 6 37.924 -16.242 7.199 51 HB2 HIS 6 HB2 HIS 6 37.062 -18.818 5.821 52 HB3 HIS 6 HB1 HIS 6 38.642 -18.007 5.569 53 HD1 HIS 6 HD1 HIS 6 36.679 -19.756 8.340 54 HD2 HIS 6 HD2 HIS 6 40.610 -18.593 7.435 55 HE1 HIS 6 HE1 HIS 6 38.190 -20.767 10.105 56 HE2 HIS 6 HE2 HIS 6 40.547 -20.041 9.524 57 H LEU 7 HN LEU 7 34.776 -16.427 5.782 58 HA LEU 7 HA LEU 7 35.455 -15.916 3.111 59 HB2 LEU 7 HB2 LEU 7 32.823 -15.439 4.638 60 HB3 LEU 7 HB1 LEU 7 33.046 -15.206 2.872 61 HG LEU 7 HG LEU 7 33.824 -17.676 2.782 62 HD11 LEU 7 HD11 LEU 7 32.723 -19.200 4.460 63 HD12 LEU 7 HD12 LEU 7 32.308 -17.770 5.476 64 HD13 LEU 7 HD13 LEU 7 34.033 -18.223 5.203 65 HD21 LEU 7 HD21 LEU 7 31.470 -18.415 2.477 66 HD22 LEU 7 HD22 LEU 7 31.748 -16.763 1.800 67 HD23 LEU 7 HD23 LEU 7 30.891 -16.958 3.378 68 H LYS 8 HN LYS 8 36.020 -14.070 2.136 69 HA LYS 8 HA LYS 8 35.219 -11.510 3.159 70 HB2 LYS 8 HB2 LYS 8 37.333 -12.151 4.479 71 HB3 LYS 8 HB1 LYS 8 38.194 -12.305 2.915 72 HG2 LYS 8 HG2 LYS 8 37.833 -9.852 2.501 73 HG3 LYS 8 HG1 LYS 8 36.797 -9.755 3.969 74 HD2 LYS 8 HD2 LYS 8 38.808 -10.408 5.374 75 HD3 LYS 8 HD1 LYS 8 39.809 -10.410 3.881 76 HE2 LYS 8 HE2 LYS 8 40.125 -8.272 5.102 77 HE3 LYS 8 HE1 LYS 8 39.268 -7.952 3.540 78 HZ1 LYS 8 HZ1 LYS 8 37.999 -8.197 6.217 79 HZ2 LYS 8 HZ2 LYS 8 37.197 -7.898 4.750 80 HZ3 LYS 8 HZ3 LYS 8 38.298 -6.759 5.362 81 H GLU 9 HN GLU 9 35.502 -9.915 1.429 82 HA GLU 9 HA GLU 9 35.926 -11.128 -1.183 83 HB2 GLU 9 HB2 GLU 9 34.763 -9.289 -2.165 84 HB3 GLU 9 HB1 GLU 9 33.720 -10.100 -0.959 85 HG2 GLU 9 HG2 GLU 9 35.302 -7.501 -0.473 86 HG3 GLU 9 HG1 GLU 9 33.581 -7.569 -0.993 87 H MET 10 HN MET 10 37.494 -10.239 -2.577 88 HA MET 10 HA MET 10 39.207 -8.162 -1.388 89 HB2 MET 10 HB2 MET 10 40.073 -10.634 -2.971 90 HB3 MET 10 HB1 MET 10 41.118 -9.218 -2.621 91 HG2 MET 10 HG2 MET 10 41.765 -10.756 -1.012 92 HG3 MET 10 HG1 MET 10 40.722 -9.576 -0.162 93 HE1 MET 10 HE1 MET 10 39.617 -12.738 -2.454 94 HE2 MET 10 HE2 MET 10 39.623 -14.016 -1.196 95 HE3 MET 10 HE3 MET 10 41.153 -13.178 -1.625 96 HA PRO 11 HA PRO 11 37.856 -6.816 -5.538 97 HB2 PRO 11 HB2 PRO 11 37.212 -4.185 -4.891 98 HB3 PRO 11 HB1 PRO 11 36.075 -5.573 -4.714 99 HG2 PRO 11 HG1 PRO 11 37.764 -4.258 -2.536 100 HG3 PRO 11 HG2 PRO 11 36.030 -4.776 -2.468 101 HD2 PRO 11 HD1 PRO 11 38.137 -6.325 -1.462 102 HD3 PRO 11 HD2 PRO 11 36.652 -7.073 -2.168 103 H GLU 12 HN GLU 12 39.369 -4.200 -3.476 104 HA GLU 12 HA GLU 12 41.936 -4.621 -4.484 105 HB2 GLU 12 HB2 GLU 12 41.009 -3.462 -6.554 106 HB3 GLU 12 HB1 GLU 12 40.413 -2.130 -5.521 107 HG2 GLU 12 HG2 GLU 12 42.510 -1.477 -6.670 108 HG3 GLU 12 HG1 GLU 12 42.780 -1.542 -4.893 109 H MET 13 HN MET 13 42.977 -4.171 -2.624 110 HA MET 13 HA MET 13 41.821 -2.188 -0.786 111 HB2 MET 13 HB2 MET 13 43.914 -4.379 -0.311 112 HB3 MET 13 HB1 MET 13 43.279 -3.226 0.929 113 HG2 MET 13 HG2 MET 13 40.995 -4.190 0.647 114 HG3 MET 13 HG1 MET 13 41.597 -5.284 -0.636 115 HE1 MET 13 HE1 MET 13 40.802 -7.938 1.873 116 HE2 MET 13 HE2 MET 13 40.680 -7.278 0.209 117 HE3 MET 13 HE3 MET 13 39.883 -6.421 1.572 118 H GLU 14 HN GLU 14 43.125 -0.401 -0.165 119 HA GLU 14 HA GLU 14 45.677 -0.078 -1.481 120 HB2 GLU 14 HB2 GLU 14 44.949 1.675 -3.021 121 HB3 GLU 14 HB1 GLU 14 44.066 0.149 -3.343 122 HG2 GLU 14 HG2 GLU 14 42.040 1.002 -2.162 123 HG3 GLU 14 HG1 GLU 14 42.884 2.561 -1.829 124 H ASP 15 HN ASP 15 43.089 1.026 0.575 125 HA ASP 15 HA ASP 15 44.551 3.363 1.454 126 HB2 ASP 15 HB2 ASP 15 42.168 3.531 1.467 127 HB3 ASP 15 HB1 ASP 15 42.011 2.095 2.564 128 H GLU 16 HN GLU 16 44.289 -0.051 2.146 129 HA GLU 16 HA GLU 16 45.519 -0.208 4.635 130 HB2 GLU 16 HB2 GLU 16 44.400 -2.106 3.464 131 HB3 GLU 16 HB1 GLU 16 45.658 -2.069 2.187 132 HG2 GLU 16 HG2 GLU 16 47.405 -2.704 3.903 133 HG3 GLU 16 HG1 GLU 16 46.131 -2.739 5.178 134 H PHE 17 HN PHE 17 46.844 -0.148 1.271 135 HA PHE 17 HA PHE 17 49.553 -0.144 1.944 136 HB2 PHE 17 HB2 PHE 17 48.701 -0.652 -0.360 137 HB3 PHE 17 HB1 PHE 17 48.002 0.986 -0.485 138 HD1 PHE 17 HD1 PHE 17 51.218 -0.902 -0.267 139 HD2 PHE 17 HD2 PHE 17 49.323 2.837 -1.180 140 HE1 PHE 17 HE1 PHE 17 53.319 -0.093 -1.295 141 HE2 PHE 17 HE2 PHE 17 51.453 3.674 -2.136 142 HZ PHE 17 HZ PHE 17 53.465 2.232 -2.122 143 H LEU 18 HN LEU 18 47.159 2.522 1.582 144 HA LEU 18 HA LEU 18 49.105 4.500 1.395 145 HB2 LEU 18 HB2 LEU 18 46.344 4.204 0.997 146 HB3 LEU 18 HB1 LEU 18 46.381 5.454 2.231 147 HG LEU 18 HG LEU 18 47.762 5.375 -0.531 148 HD11 LEU 18 HD11 LEU 18 45.495 7.177 0.531 149 HD12 LEU 18 HD12 LEU 18 45.320 5.785 -0.604 150 HD13 LEU 18 HD13 LEU 18 46.227 7.259 -1.115 151 HD21 LEU 18 HD21 LEU 18 48.510 7.711 -0.253 152 HD22 LEU 18 HD22 LEU 18 49.316 6.615 0.911 153 HD23 LEU 18 HD23 LEU 18 47.980 7.696 1.477 154 H GLU 19 HN GLU 19 47.819 2.878 4.192 155 HA GLU 19 HA GLU 19 48.515 5.129 5.966 156 HB2 GLU 19 HB2 GLU 19 46.905 2.591 6.461 157 HB3 GLU 19 HB1 GLU 19 47.377 3.763 7.742 158 HG2 GLU 19 HG2 GLU 19 45.606 4.394 5.286 159 HG3 GLU 19 HG1 GLU 19 45.065 4.154 6.984 160 H TYR 20 HN TYR 20 49.588 2.105 4.697 161 HA TYR 20 HA TYR 20 51.285 1.337 6.902 162 HB2 TYR 20 HB2 TYR 20 50.874 0.495 3.971 163 HB3 TYR 20 HB1 TYR 20 52.230 -0.160 4.845 164 HD1 TYR 20 HD1 TYR 20 51.640 -2.386 4.707 165 HD2 TYR 20 HD2 TYR 20 49.039 0.346 6.751 166 HE1 TYR 20 HE1 TYR 20 50.430 -4.293 5.705 167 HE2 TYR 20 HE2 TYR 20 47.825 -1.544 7.751 168 HH TYR 20 HH TYR 20 47.625 -3.786 7.895 169 H CYS 21 HN CYS 21 51.290 3.372 4.160 170 HA CYS 21 HA CYS 21 54.035 3.239 3.639 171 HB2 CYS 21 HB2 CYS 21 51.959 5.341 2.816 172 HB3 CYS 21 HB1 CYS 21 53.686 5.552 2.403 173 HG CYS 21 HG1 CYS 21 51.783 2.993 1.649 174 H ALA 22 HN ALA 22 52.292 4.703 6.165 175 HA ALA 22 HA ALA 22 53.869 6.954 6.770 176 HB1 ALA 22 HB1 ALA 22 52.105 5.186 8.576 177 HB2 ALA 22 HB2 ALA 22 51.540 6.612 7.634 178 HB3 ALA 22 HB3 ALA 22 52.711 6.839 8.985 179 H LYS 23 HN LYS 23 54.458 3.562 6.962 180 HA LYS 23 HA LYS 23 56.694 3.866 8.800 181 HB2 LYS 23 HB2 LYS 23 55.346 1.708 8.883 182 HB3 LYS 23 HB1 LYS 23 55.799 1.406 7.178 183 HG2 LYS 23 HG2 LYS 23 58.284 1.585 7.987 184 HG3 LYS 23 HG1 LYS 23 57.633 1.510 9.655 185 HD2 LYS 23 HD2 LYS 23 57.259 -0.591 7.420 186 HD3 LYS 23 HD1 LYS 23 58.438 -0.689 8.775 187 HE2 LYS 23 HE2 LYS 23 56.534 -0.760 10.432 188 HE3 LYS 23 HE1 LYS 23 55.350 -0.710 9.061 189 HZ1 LYS 23 HZ1 LYS 23 56.303 -2.750 8.234 190 HZ2 LYS 23 HZ2 LYS 23 55.747 -2.933 9.829 191 HZ3 LYS 23 HZ3 LYS 23 57.412 -2.801 9.519 192 H ASN 24 HN ASN 24 57.535 5.510 7.506 193 HA ASN 24 HA ASN 24 58.194 5.287 4.839 194 HB2 ASN 24 HB2 ASN 24 59.553 7.059 6.943 195 HB3 ASN 24 HB1 ASN 24 59.691 7.251 5.159 196 HD21 ASN 24 HD21 ASN 24 56.257 8.420 4.733 197 HD22 ASN 24 HD22 ASN 24 57.479 7.463 3.964 198 HA PRO 25 HA PRO 25 62.584 3.773 6.013 199 HB2 PRO 25 HB2 PRO 25 62.629 2.082 8.348 200 HB3 PRO 25 HB1 PRO 25 63.282 3.774 8.253 201 HG2 PRO 25 HG1 PRO 25 60.531 2.844 9.216 202 HG3 PRO 25 HG2 PRO 25 61.628 4.080 9.968 203 HD2 PRO 25 HD1 PRO 25 59.521 4.877 8.432 204 HD3 PRO 25 HD2 PRO 25 61.132 5.681 8.184 205 H SER 26 HN SER 26 63.166 1.874 4.972 206 HA SER 26 HA SER 26 62.929 0.044 3.893 207 HB2 SER 26 HB2 SER 26 61.437 -0.852 6.409 208 HB3 SER 26 HB1 SER 26 61.818 -1.982 5.035 209 HG SER 26 HG1 SER 26 63.930 -1.684 5.402 210 H TYR 27 HN TYR 27 61.732 1.657 2.589 211 HA TYR 27 HA TYR 27 58.924 1.470 2.368 212 HB2 TYR 27 HB2 TYR 27 59.073 2.969 0.568 213 HB3 TYR 27 HB1 TYR 27 60.334 3.528 1.727 214 HD1 TYR 27 HD1 TYR 27 62.743 2.008 1.076 215 HD2 TYR 27 HD2 TYR 27 59.661 3.386 -1.589 216 HE1 TYR 27 HE1 TYR 27 64.324 1.904 -0.801 217 HE2 TYR 27 HE2 TYR 27 61.208 3.191 -3.483 218 HH TYR 27 HH TYR 27 63.303 2.696 -4.158 219 H GLU 28 HN GLU 28 61.654 -0.175 1.199 220 HA GLU 28 HA GLU 28 60.808 -1.372 -1.125 221 HB2 GLU 28 HB2 GLU 28 62.643 -3.133 -0.376 222 HB3 GLU 28 HB1 GLU 28 63.123 -1.450 -0.761 223 HG2 GLU 28 HG2 GLU 28 63.267 -0.795 1.573 224 HG3 GLU 28 HG1 GLU 28 62.580 -2.351 2.146 225 H GLU 29 HN GLU 29 60.242 -2.198 2.319 226 HA GLU 29 HA GLU 29 59.261 -4.817 1.764 227 HB2 GLU 29 HB2 GLU 29 58.999 -2.988 4.206 228 HB3 GLU 29 HB1 GLU 29 58.393 -4.686 4.146 229 HG2 GLU 29 HG2 GLU 29 60.674 -5.553 3.755 230 HG3 GLU 29 HG1 GLU 29 61.344 -3.884 3.709 231 H ALA 30 HN ALA 30 57.870 -1.521 2.015 232 HA ALA 30 HA ALA 30 55.172 -2.443 2.058 233 HB1 ALA 30 HB1 ALA 30 56.311 0.345 1.405 234 HB2 ALA 30 HB2 ALA 30 55.801 -0.223 3.034 235 HB3 ALA 30 HB3 ALA 30 54.577 -0.039 1.729 236 H TYR 31 HN TYR 31 57.584 -1.929 -0.440 237 HA TYR 31 HA TYR 31 55.685 -1.713 -2.599 238 HB2 TYR 31 HB2 TYR 31 57.902 -0.692 -2.962 239 HB3 TYR 31 HB1 TYR 31 58.699 -2.083 -2.266 240 HD1 TYR 31 HD1 TYR 31 60.255 -2.543 -3.980 241 HD2 TYR 31 HD2 TYR 31 56.106 -2.185 -4.976 242 HE1 TYR 31 HE1 TYR 31 60.711 -3.508 -6.204 243 HE2 TYR 31 HE2 TYR 31 56.518 -3.232 -7.167 244 HH TYR 31 HH TYR 31 59.841 -4.213 -8.158 245 H LEU 32 HN LEU 32 58.032 -4.194 -1.459 246 HA LEU 32 HA LEU 32 57.270 -6.003 -3.411 247 HB2 LEU 32 HB2 LEU 32 58.849 -6.292 -0.807 248 HB3 LEU 32 HB1 LEU 32 58.760 -7.592 -2.037 249 HG LEU 32 HG LEU 32 59.745 -4.733 -2.669 250 HD11 LEU 32 HD11 LEU 32 61.468 -7.180 -1.888 251 HD12 LEU 32 HD12 LEU 32 61.184 -5.720 -0.869 252 HD13 LEU 32 HD13 LEU 32 62.073 -5.568 -2.429 253 HD21 LEU 32 HD21 LEU 32 60.857 -5.817 -4.625 254 HD22 LEU 32 HD22 LEU 32 59.072 -6.038 -4.674 255 HD23 LEU 32 HD23 LEU 32 60.135 -7.406 -4.169 256 H LYS 33 HN LYS 33 56.071 -5.597 -0.125 257 HA LYS 33 HA LYS 33 54.892 -8.127 0.201 258 HB2 LYS 33 HB2 LYS 33 55.258 -6.495 2.094 259 HB3 LYS 33 HB1 LYS 33 54.070 -5.399 1.368 260 HG2 LYS 33 HG2 LYS 33 52.887 -8.088 1.750 261 HG3 LYS 33 HG1 LYS 33 53.637 -7.505 3.272 262 HD2 LYS 33 HD2 LYS 33 52.369 -5.420 3.201 263 HD3 LYS 33 HD1 LYS 33 51.738 -5.819 1.556 264 HE2 LYS 33 HE2 LYS 33 50.360 -7.621 2.401 265 HE3 LYS 33 HE1 LYS 33 51.077 -7.496 4.069 266 HZ1 LYS 33 HZ1 LYS 33 50.143 -5.290 4.223 267 HZ2 LYS 33 HZ2 LYS 33 48.936 -6.438 3.896 268 HZ3 LYS 33 HZ3 LYS 33 49.487 -5.412 2.662 269 H PHE 34 HN PHE 34 53.674 -4.980 -1.037 270 HA PHE 34 HA PHE 34 51.060 -5.996 -1.642 271 HB2 PHE 34 HB2 PHE 34 52.491 -3.297 -2.113 272 HB3 PHE 34 HB1 PHE 34 50.845 -3.625 -2.723 273 HD1 PHE 34 HD1 PHE 34 52.911 -3.544 0.383 274 HD2 PHE 34 HD2 PHE 34 48.946 -3.484 -1.255 275 HE1 PHE 34 HE1 PHE 34 52.027 -3.037 2.602 276 HE2 PHE 34 HE2 PHE 34 48.043 -2.944 0.990 277 HZ PHE 34 HZ PHE 34 49.594 -2.640 2.916 278 H GLY 35 HN GLY 35 53.113 -4.082 -3.858 279 HA2 GLY 35 HA2 GLY 35 54.332 -5.784 -5.362 280 HA3 GLY 35 HA1 GLY 35 52.651 -5.911 -6.035 281 H ASP 36 HN ASP 36 52.368 -4.637 -7.758 282 HA ASP 36 HA ASP 36 54.139 -2.520 -8.308 283 HB2 ASP 36 HB2 ASP 36 51.501 -3.256 -9.691 284 HB3 ASP 36 HB1 ASP 36 52.790 -2.193 -10.374 285 H LYS 37 HN LYS 37 51.707 -2.548 -6.114 286 HA LYS 37 HA LYS 37 50.147 -0.336 -6.495 287 HB2 LYS 37 HB2 LYS 37 49.821 -2.184 -4.815 288 HB3 LYS 37 HB1 LYS 37 51.198 -1.532 -3.901 289 HG2 LYS 37 HG2 LYS 37 49.079 -0.842 -2.884 290 HG3 LYS 37 HG1 LYS 37 49.991 0.585 -3.485 291 HD2 LYS 37 HD2 LYS 37 47.624 0.882 -3.873 292 HD3 LYS 37 HD1 LYS 37 48.481 0.763 -5.448 293 HE2 LYS 37 HE2 LYS 37 47.679 -1.630 -5.685 294 HE3 LYS 37 HE1 LYS 37 46.842 -1.492 -4.083 295 HZ1 LYS 37 HZ1 LYS 37 45.356 -1.136 -5.909 296 HZ2 LYS 37 HZ2 LYS 37 46.298 0.147 -6.504 297 HZ3 LYS 37 HZ3 LYS 37 45.516 0.291 -5.002 298 H LEU 38 HN LEU 38 53.426 -0.650 -5.019 299 HA LEU 38 HA LEU 38 53.449 2.111 -4.188 300 HB2 LEU 38 HB2 LEU 38 54.749 0.248 -2.933 301 HB3 LEU 38 HB1 LEU 38 55.770 0.086 -4.321 302 HG LEU 38 HG LEU 38 55.518 2.891 -3.243 303 HD11 LEU 38 HD11 LEU 38 56.961 0.751 -1.570 304 HD12 LEU 38 HD12 LEU 38 55.456 1.622 -1.108 305 HD13 LEU 38 HD13 LEU 38 57.001 2.530 -1.297 306 HD21 LEU 38 HD21 LEU 38 58.000 2.903 -3.567 307 HD22 LEU 38 HD22 LEU 38 57.129 2.359 -5.052 308 HD23 LEU 38 HD23 LEU 38 57.947 1.148 -3.995 309 H LEU 39 HN LEU 39 54.498 0.300 -7.058 310 HA LEU 39 HA LEU 39 56.212 2.279 -8.040 311 HB2 LEU 39 HB2 LEU 39 54.572 0.217 -9.604 312 HB3 LEU 39 HB1 LEU 39 55.953 1.168 -10.240 313 HG LEU 39 HG LEU 39 56.030 -0.931 -7.991 314 HD11 LEU 39 HD11 LEU 39 57.320 -2.290 -9.618 315 HD12 LEU 39 HD12 LEU 39 57.180 -0.974 -10.848 316 HD13 LEU 39 HD13 LEU 39 55.703 -1.845 -10.287 317 HD21 LEU 39 HD21 LEU 39 58.537 -0.717 -8.103 318 HD22 LEU 39 HD22 LEU 39 57.752 0.773 -7.479 319 HD23 LEU 39 HD23 LEU 39 58.357 0.717 -9.180 320 H GLU 40 HN GLU 40 52.718 1.615 -8.663 321 HA GLU 40 HA GLU 40 52.463 3.696 -10.551 322 HB2 GLU 40 HB2 GLU 40 49.998 3.330 -10.293 323 HB3 GLU 40 HB1 GLU 40 50.912 1.823 -10.673 324 HG2 GLU 40 HG2 GLU 40 50.807 1.179 -8.246 325 HG3 GLU 40 HG1 GLU 40 49.921 2.665 -7.869 326 H TYR 41 HN TYR 41 51.960 3.560 -6.998 327 HA TYR 41 HA TYR 41 50.484 6.012 -6.915 328 HB2 TYR 41 HB2 TYR 41 51.624 3.986 -4.915 329 HB3 TYR 41 HB1 TYR 41 51.276 5.593 -4.309 330 HD1 TYR 41 HD1 TYR 41 49.637 4.906 -2.759 331 HD2 TYR 41 HD2 TYR 41 49.005 4.255 -6.985 332 HE1 TYR 41 HE1 TYR 41 47.270 4.362 -2.354 333 HE2 TYR 41 HE2 TYR 41 46.665 3.765 -6.565 334 HH TYR 41 HH TYR 41 45.025 3.604 -5.047 335 H GLU 42 HN GLU 42 53.808 5.096 -7.032 336 HA GLU 42 HA GLU 42 54.850 7.517 -5.862 337 HB2 GLU 42 HB2 GLU 42 56.057 5.368 -5.725 338 HB3 GLU 42 HB1 GLU 42 56.206 5.321 -7.518 339 HG2 GLU 42 HG2 GLU 42 57.619 7.434 -7.411 340 HG3 GLU 42 HG1 GLU 42 57.452 7.423 -5.614 341 H LEU 43 HN LEU 43 54.282 6.154 -9.111 342 HA LEU 43 HA LEU 43 55.333 8.374 -10.536 343 HB2 LEU 43 HB2 LEU 43 53.535 5.990 -11.240 344 HB3 LEU 43 HB1 LEU 43 54.036 7.175 -12.479 345 HG LEU 43 HG LEU 43 56.007 5.536 -10.782 346 HD11 LEU 43 HD11 LEU 43 54.597 4.021 -12.160 347 HD12 LEU 43 HD12 LEU 43 56.295 4.069 -12.765 348 HD13 LEU 43 HD13 LEU 43 55.000 4.971 -13.642 349 HD21 LEU 43 HD21 LEU 43 57.674 6.155 -12.536 350 HD22 LEU 43 HD22 LEU 43 57.029 7.608 -11.696 351 HD23 LEU 43 HD23 LEU 43 56.442 7.190 -13.350 352 H LEU 44 HN LEU 44 52.308 7.680 -8.938 353 HA LEU 44 HA LEU 44 50.691 9.409 -10.527 354 HB2 LEU 44 HB2 LEU 44 49.717 7.414 -9.605 355 HB3 LEU 44 HB1 LEU 44 50.269 7.857 -7.965 356 HG LEU 44 HG LEU 44 48.644 9.634 -7.801 357 HD11 LEU 44 HD11 LEU 44 47.818 8.981 -10.711 358 HD12 LEU 44 HD12 LEU 44 48.600 10.505 -10.143 359 HD13 LEU 44 HD13 LEU 44 46.935 10.093 -9.598 360 HD21 LEU 44 HD21 LEU 44 46.544 8.310 -7.864 361 HD22 LEU 44 HD22 LEU 44 47.924 7.330 -7.236 362 HD23 LEU 44 HD23 LEU 44 47.335 7.080 -8.921 363 H GLY 45 HN GLY 45 51.130 9.484 -6.909 364 HA2 GLY 45 HA2 GLY 45 52.598 11.522 -6.395 365 HA3 GLY 45 HA1 GLY 45 51.157 12.390 -7.072 366 H LYS 46 HN LYS 46 50.891 9.328 -5.335 367 HA LYS 46 HA LYS 46 49.392 10.634 -3.201 368 HB2 LYS 46 HB2 LYS 46 49.730 7.742 -4.057 369 HB3 LYS 46 HB1 LYS 46 48.924 8.228 -2.519 370 HG2 LYS 46 HG2 LYS 46 47.356 9.690 -3.787 371 HG3 LYS 46 HG1 LYS 46 48.058 9.122 -5.342 372 HD2 LYS 46 HD2 LYS 46 47.272 6.847 -4.938 373 HD3 LYS 46 HD1 LYS 46 46.813 7.246 -3.243 374 HE2 LYS 46 HE2 LYS 46 45.084 8.861 -4.065 375 HE3 LYS 46 HE1 LYS 46 45.509 8.454 -5.776 376 HZ1 LYS 46 HZ1 LYS 46 44.468 6.562 -3.728 377 HZ2 LYS 46 HZ2 LYS 46 44.875 6.173 -5.329 378 HZ3 LYS 46 HZ3 LYS 46 43.593 7.242 -5.015 379 H ILE 47 HN ILE 47 52.328 8.874 -4.000 380 HA ILE 47 HA ILE 47 53.596 9.623 -1.477 381 HB ILE 47 HB ILE 47 54.945 7.490 -1.696 382 HG12 ILE 47 HG12 ILE 47 52.473 6.696 -3.349 383 HG13 ILE 47 HG11 ILE 47 54.109 6.974 -4.027 384 HG21 ILE 47 HG21 ILE 47 51.973 7.152 -0.937 385 HG22 ILE 47 HG22 ILE 47 53.228 7.944 0.104 386 HG23 ILE 47 HG23 ILE 47 53.392 6.206 -0.347 387 HD11 ILE 47 HD1 ILE 47 55.000 5.185 -2.660 388 HD12 ILE 47 HD2 ILE 47 53.724 4.560 -3.764 389 HD13 ILE 47 HD3 ILE 47 53.380 4.769 -2.001 390 H LYS 48 HN LYS 48 56.063 9.530 -1.975 391 HA LYS 48 HA LYS 48 56.718 9.437 -4.775 392 HB2 LYS 48 HB2 LYS 48 57.538 11.808 -2.961 393 HB3 LYS 48 HB1 LYS 48 58.216 11.510 -4.592 394 HG2 LYS 48 HG2 LYS 48 55.997 11.893 -5.625 395 HG3 LYS 48 HG1 LYS 48 55.281 12.224 -4.011 396 HD2 LYS 48 HD2 LYS 48 57.570 13.826 -5.309 397 HD3 LYS 48 HD1 LYS 48 55.829 14.296 -5.304 398 HE2 LYS 48 HE2 LYS 48 55.877 14.419 -2.779 399 HE3 LYS 48 HE1 LYS 48 57.640 14.001 -2.807 400 HZ1 LYS 48 HZ1 LYS 48 57.272 16.350 -2.633 401 HZ2 LYS 48 HZ2 LYS 48 56.384 16.374 -4.081 402 HZ3 LYS 48 HZ3 LYS 48 58.035 15.977 -4.104 403 H ARG 49 HN ARG 49 59.220 9.400 -4.893 404 HA ARG 49 HA ARG 49 60.512 8.809 -2.365 405 HB2 ARG 49 HB2 ARG 49 59.796 6.561 -3.139 406 HB3 ARG 49 HB1 ARG 49 60.624 6.819 -4.707 407 HG2 ARG 49 HG2 ARG 49 62.211 7.136 -2.111 408 HG3 ARG 49 HG1 ARG 49 61.713 5.498 -2.625 409 HD2 ARG 49 HD2 ARG 49 62.883 5.784 -4.827 410 HD3 ARG 49 HD1 ARG 49 63.422 7.442 -4.319 411 HE ARG 49 HE ARG 49 64.130 5.335 -2.383 412 HH11 ARG 49 HH11 ARG 49 66.367 4.689 -2.250 413 HH12 ARG 49 HH12 ARG 49 67.491 5.167 -3.478 414 HH21 ARG 49 HH21 ARG 49 65.115 6.965 -5.415 415 HH22 ARG 49 HH22 ARG 49 66.771 6.477 -5.295 416 H ILE 50 HN ILE 50 62.583 9.764 -2.474 417 HA ILE 50 HA ILE 50 63.752 10.276 -5.024 418 HB ILE 50 HB ILE 50 62.154 12.125 -4.988 419 HG12 ILE 50 HG12 ILE 50 63.668 14.074 -5.153 420 HG13 ILE 50 HG11 ILE 50 65.009 13.136 -4.428 421 HG21 ILE 50 HG21 ILE 50 63.396 12.965 -2.293 422 HG22 ILE 50 HG22 ILE 50 61.762 12.233 -2.523 423 HG23 ILE 50 HG23 ILE 50 62.138 13.842 -3.229 424 HD11 ILE 50 HD1 ILE 50 63.557 12.437 -7.074 425 HD12 ILE 50 HD2 ILE 50 64.981 11.564 -6.390 426 HD13 ILE 50 HD3 ILE 50 65.151 13.268 -6.941 427 H ASN 51 HN ASN 51 63.646 10.486 -1.492 428 HA ASN 51 HA ASN 51 66.322 11.387 -1.246 429 HB2 ASN 51 HB2 ASN 51 64.501 11.978 0.374 430 HB3 ASN 51 HB1 ASN 51 64.348 10.261 0.849 431 HD21 ASN 51 HD21 ASN 51 67.797 12.422 1.939 432 HD22 ASN 51 HD22 ASN 51 66.992 12.769 0.445 433 H HIS 52 HN HIS 52 65.097 8.552 0.544 434 HA HIS 52 HA HIS 52 66.944 6.759 -0.826 435 HB2 HIS 52 HB2 HIS 52 66.841 7.205 2.236 436 HB3 HIS 52 HB1 HIS 52 67.641 5.813 1.424 437 HD1 HIS 52 HD1 HIS 52 68.058 9.551 1.900 438 HD2 HIS 52 HD2 HIS 52 70.161 6.289 0.301 439 HE1 HIS 52 HE1 HIS 52 70.415 10.340 1.411 440 HE2 HIS 52 HE2 HIS 52 71.646 8.347 0.444 441 H ILE 53 HN ILE 53 64.213 7.628 1.200 442 HA ILE 53 HA ILE 53 62.970 5.000 0.833 443 HB ILE 53 HB ILE 53 61.922 5.363 3.078 444 HG12 ILE 53 HG12 ILE 53 64.282 7.323 3.499 445 HG13 ILE 53 HG11 ILE 53 62.580 7.835 3.213 446 HG21 ILE 53 HG21 ILE 53 64.964 4.865 2.965 447 HG22 ILE 53 HG22 ILE 53 63.672 3.663 2.583 448 HG23 ILE 53 HG23 ILE 53 63.831 4.310 4.250 449 HD11 ILE 53 HD1 ILE 53 61.884 6.395 5.160 450 HD12 ILE 53 HD2 ILE 53 62.899 7.825 5.617 451 HD13 ILE 53 HD3 ILE 53 63.621 6.169 5.588 452 H VAL 54 HN VAL 54 60.520 5.415 1.518 453 HA VAL 54 HA VAL 54 59.603 7.248 -0.434 454 HB VAL 54 HB VAL 54 58.728 4.944 -0.006 455 HG11 VAL 54 HG11 VAL 54 57.123 4.538 1.812 456 HG12 VAL 54 HG12 VAL 54 57.294 6.219 2.422 457 HG13 VAL 54 HG13 VAL 54 58.685 5.074 2.525 458 HG21 VAL 54 HG21 VAL 54 57.490 6.491 -1.425 459 HG22 VAL 54 HG22 VAL 54 56.630 7.184 0.010 460 HG23 VAL 54 HG23 VAL 54 56.369 5.470 -0.462 461 H VAL 55 HN VAL 55 58.218 9.056 -0.100 462 HA VAL 55 HA VAL 55 57.922 10.017 2.654 463 HB VAL 55 HB VAL 55 57.877 12.337 1.770 464 HG11 VAL 55 HG11 VAL 55 60.516 10.808 1.242 465 HG12 VAL 55 HG12 VAL 55 59.915 11.359 2.851 466 HG13 VAL 55 HG13 VAL 55 60.344 12.568 1.584 467 HG21 VAL 55 HG21 VAL 55 57.327 11.845 -0.641 468 HG22 VAL 55 HG22 VAL 55 58.943 11.070 -0.855 469 HG23 VAL 55 HG23 VAL 55 58.822 12.825 -0.494 470 H LEU 56 HN LEU 56 55.815 11.068 2.971 471 HA LEU 56 HA LEU 56 53.785 9.952 1.208 472 HB2 LEU 56 HB2 LEU 56 53.605 11.638 3.757 473 HB3 LEU 56 HB1 LEU 56 52.173 11.066 2.840 474 HG LEU 56 HG LEU 56 54.264 9.128 3.985 475 HD11 LEU 56 HD11 LEU 56 51.685 10.126 5.354 476 HD12 LEU 56 HD12 LEU 56 53.376 10.495 5.865 477 HD13 LEU 56 HD13 LEU 56 52.759 8.803 5.943 478 HD21 LEU 56 HD21 LEU 56 51.334 8.732 3.105 479 HD22 LEU 56 HD22 LEU 56 52.376 7.488 3.887 480 HD23 LEU 56 HD23 LEU 56 52.810 8.128 2.259 481 H ALA 57 HN ALA 57 52.322 11.280 0.038 482 HA ALA 57 HA ALA 57 53.100 14.094 -0.286 483 HB1 ALA 57 HB1 ALA 57 52.655 12.058 -2.567 484 HB2 ALA 57 HB2 ALA 57 54.213 12.842 -2.147 485 HB3 ALA 57 HB3 ALA 57 52.854 13.836 -2.779 486 H HIS 58 HN HIS 58 51.237 14.279 1.184 487 HA HIS 58 HA HIS 58 48.668 13.528 0.094 488 HB2 HIS 58 HB2 HIS 58 49.008 13.433 2.563 489 HB3 HIS 58 HB1 HIS 58 49.415 15.179 2.578 490 HD1 HIS 58 HD1 HIS 58 46.474 12.981 1.428 491 HD2 HIS 58 HD2 HIS 58 47.203 16.783 3.051 492 HE1 HIS 58 HE1 HIS 58 44.223 14.076 1.823 493 HE2 HIS 58 HE2 HIS 58 44.708 16.369 2.788 494 H HIS 59 HN HIS 59 47.996 14.690 -1.621 495 HA HIS 59 HA HIS 59 48.573 17.575 -1.715 496 HB2 HIS 59 HB2 HIS 59 48.014 15.557 -3.963 497 HB3 HIS 59 HB1 HIS 59 48.214 17.334 -4.193 498 HD1 HIS 59 HD1 HIS 59 50.109 15.387 -5.607 499 HD2 HIS 59 HD2 HIS 59 50.958 17.130 -1.884 500 HE1 HIS 59 HE1 HIS 59 52.628 15.404 -5.340 501 HE2 HIS 59 HE2 HIS 59 53.098 16.475 -3.090 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 42.385 -16.011 -20.815 2 H2 MET 1 HT2 MET 1 43.241 -15.273 -19.545 3 H3 MET 1 HT3 MET 1 43.088 -14.479 -21.039 4 HA MET 1 HA MET 1 40.756 -14.268 -20.759 5 HB2 MET 1 HB2 MET 1 41.259 -15.706 -18.068 6 HB3 MET 1 HB1 MET 1 39.771 -14.764 -18.428 7 HG2 MET 1 HG2 MET 1 39.185 -16.986 -18.746 8 HG3 MET 1 HG1 MET 1 39.277 -16.258 -20.371 9 HE1 MET 1 HE1 MET 1 39.721 -17.912 -22.109 10 HE2 MET 1 HE2 MET 1 41.391 -18.522 -22.363 11 HE3 MET 1 HE3 MET 1 41.102 -16.763 -22.142 12 H LEU 2 HN LEU 2 41.581 -13.892 -17.360 13 HA LEU 2 HA LEU 2 42.034 -11.032 -17.763 14 HB2 LEU 2 HB2 LEU 2 41.358 -12.775 -15.332 15 HB3 LEU 2 HB1 LEU 2 42.023 -11.124 -15.132 16 HG LEU 2 HG LEU 2 40.166 -10.162 -16.442 17 HD11 LEU 2 HD11 LEU 2 38.902 -12.978 -16.281 18 HD12 LEU 2 HD12 LEU 2 39.323 -12.063 -17.780 19 HD13 LEU 2 HD13 LEU 2 38.017 -11.464 -16.703 20 HD21 LEU 2 HD21 LEU 2 39.343 -11.758 -13.933 21 HD22 LEU 2 HD22 LEU 2 38.509 -10.297 -14.585 22 HD23 LEU 2 HD23 LEU 2 40.195 -10.169 -13.958 23 H LYS 3 HN LYS 3 43.782 -10.095 -16.308 24 HA LYS 3 HA LYS 3 46.192 -11.723 -16.558 25 HB2 LYS 3 HB2 LYS 3 46.052 -9.269 -17.340 26 HB3 LYS 3 HB1 LYS 3 46.062 -8.803 -15.619 27 HG2 LYS 3 HG2 LYS 3 48.198 -10.456 -17.133 28 HG3 LYS 3 HG1 LYS 3 48.298 -8.699 -16.800 29 HD2 LYS 3 HD2 LYS 3 48.379 -10.952 -14.690 30 HD3 LYS 3 HD1 LYS 3 49.772 -10.042 -15.326 31 HE2 LYS 3 HE2 LYS 3 47.446 -8.774 -13.714 32 HE3 LYS 3 HE1 LYS 3 49.069 -9.226 -13.065 33 HZ1 LYS 3 HZ1 LYS 3 50.065 -7.681 -14.600 34 HZ2 LYS 3 HZ2 LYS 3 48.924 -6.910 -13.607 35 HZ3 LYS 3 HZ3 LYS 3 48.544 -7.256 -15.226 36 H ASP 4 HN ASP 4 46.233 -13.167 -14.906 37 HA ASP 4 HA ASP 4 46.453 -12.070 -12.226 38 HB2 ASP 4 HB2 ASP 4 44.809 -14.598 -12.944 39 HB3 ASP 4 HB1 ASP 4 45.281 -14.127 -11.268 40 H TYR 5 HN TYR 5 47.529 -13.945 -10.886 41 HA TYR 5 HA TYR 5 49.361 -15.471 -12.625 42 HB2 TYR 5 HB2 TYR 5 50.040 -14.220 -9.936 43 HB3 TYR 5 HB1 TYR 5 51.151 -15.194 -10.977 44 HD1 TYR 5 HD1 TYR 5 50.511 -11.958 -9.971 45 HD2 TYR 5 HD2 TYR 5 51.086 -14.201 -13.598 46 HE1 TYR 5 HE1 TYR 5 51.288 -9.917 -11.110 47 HE2 TYR 5 HE2 TYR 5 51.863 -12.165 -14.736 48 HH TYR 5 HH TYR 5 52.324 -9.969 -14.553 49 H HIS 6 HN HIS 6 50.186 -16.304 -9.701 50 HA HIS 6 HA HIS 6 48.435 -18.594 -9.574 51 HB2 HIS 6 HB2 HIS 6 50.887 -17.724 -7.999 52 HB3 HIS 6 HB1 HIS 6 50.043 -19.282 -7.735 53 HD1 HIS 6 HD1 HIS 6 49.848 -20.695 -10.200 54 HD2 HIS 6 HD2 HIS 6 52.979 -17.931 -9.770 55 HE1 HIS 6 HE1 HIS 6 51.604 -21.269 -11.933 56 HE2 HIS 6 HE2 HIS 6 53.469 -19.578 -11.645 57 H LEU 7 HN LEU 7 47.943 -15.497 -8.554 58 HA LEU 7 HA LEU 7 47.673 -15.838 -5.787 59 HB2 LEU 7 HB2 LEU 7 46.573 -13.717 -7.723 60 HB3 LEU 7 HB1 LEU 7 46.155 -13.714 -5.978 61 HG LEU 7 HG LEU 7 48.580 -13.583 -5.381 62 HD11 LEU 7 HD11 LEU 7 48.992 -13.003 -8.384 63 HD12 LEU 7 HD12 LEU 7 49.714 -14.368 -7.445 64 HD13 LEU 7 HD13 LEU 7 50.197 -12.676 -7.083 65 HD21 LEU 7 HD21 LEU 7 47.439 -11.289 -7.095 66 HD22 LEU 7 HD22 LEU 7 48.722 -11.138 -5.834 67 HD23 LEU 7 HD23 LEU 7 47.049 -11.625 -5.365 68 H LYS 8 HN LYS 8 46.012 -16.492 -4.551 69 HA LYS 8 HA LYS 8 43.790 -17.765 -5.927 70 HB2 LYS 8 HB2 LYS 8 45.195 -19.131 -4.366 71 HB3 LYS 8 HB1 LYS 8 44.855 -17.972 -3.044 72 HG2 LYS 8 HG2 LYS 8 43.499 -19.980 -2.773 73 HG3 LYS 8 HG1 LYS 8 42.427 -18.586 -3.123 74 HD2 LYS 8 HD2 LYS 8 42.240 -19.360 -5.524 75 HD3 LYS 8 HD1 LYS 8 43.352 -20.722 -5.153 76 HE2 LYS 8 HE2 LYS 8 41.003 -21.516 -5.168 77 HE3 LYS 8 HE1 LYS 8 41.668 -21.623 -3.487 78 HZ1 LYS 8 HZ1 LYS 8 40.563 -19.547 -2.984 79 HZ2 LYS 8 HZ2 LYS 8 39.459 -20.716 -3.533 80 HZ3 LYS 8 HZ3 LYS 8 39.941 -19.453 -4.561 81 H GLU 9 HN GLU 9 44.588 -15.431 -3.255 82 HA GLU 9 HA GLU 9 41.772 -14.783 -2.987 83 HB2 GLU 9 HB2 GLU 9 42.506 -13.411 -1.044 84 HB3 GLU 9 HB1 GLU 9 42.883 -15.157 -0.868 85 HG2 GLU 9 HG2 GLU 9 45.264 -14.758 -1.478 86 HG3 GLU 9 HG1 GLU 9 44.922 -13.011 -1.755 87 H MET 10 HN MET 10 41.070 -12.609 -3.302 88 HA MET 10 HA MET 10 42.990 -10.834 -4.635 89 HB2 MET 10 HB2 MET 10 40.080 -11.349 -5.427 90 HB3 MET 10 HB1 MET 10 41.041 -9.920 -5.942 91 HG2 MET 10 HG2 MET 10 41.270 -11.304 -7.767 92 HG3 MET 10 HG1 MET 10 42.790 -11.554 -6.853 93 HE1 MET 10 HE1 MET 10 42.200 -13.327 -9.173 94 HE2 MET 10 HE2 MET 10 42.508 -14.972 -8.518 95 HE3 MET 10 HE3 MET 10 43.552 -13.599 -8.020 96 HA PRO 11 HA PRO 11 41.094 -9.038 -0.918 97 HB2 PRO 11 HB2 PRO 11 43.325 -7.474 -0.118 98 HB3 PRO 11 HB1 PRO 11 43.040 -9.196 0.338 99 HG2 PRO 11 HG1 PRO 11 44.759 -8.123 -1.952 100 HG3 PRO 11 HG2 PRO 11 45.172 -9.406 -0.737 101 HD2 PRO 11 HD1 PRO 11 44.296 -10.092 -3.249 102 HD3 PRO 11 HD2 PRO 11 43.673 -10.999 -1.823 103 H GLU 12 HN GLU 12 43.131 -7.256 -3.294 104 HA GLU 12 HA GLU 12 42.967 -5.387 -4.319 105 HB2 GLU 12 HB2 GLU 12 39.928 -5.668 -4.099 106 HB3 GLU 12 HB1 GLU 12 40.830 -4.695 -5.312 107 HG2 GLU 12 HG2 GLU 12 40.817 -7.771 -5.031 108 HG3 GLU 12 HG1 GLU 12 40.012 -6.800 -6.311 109 H MET 13 HN MET 13 43.631 -4.851 -1.749 110 HA MET 13 HA MET 13 41.975 -2.575 -0.926 111 HB2 MET 13 HB2 MET 13 44.313 -3.934 0.522 112 HB3 MET 13 HB1 MET 13 43.308 -2.580 1.149 113 HG2 MET 13 HG2 MET 13 41.274 -4.102 0.981 114 HG3 MET 13 HG1 MET 13 42.362 -5.434 0.492 115 HE1 MET 13 HE1 MET 13 41.960 -3.411 4.665 116 HE2 MET 13 HE2 MET 13 40.807 -3.319 3.292 117 HE3 MET 13 HE3 MET 13 42.394 -2.486 3.190 118 H GLU 14 HN GLU 14 43.219 -0.558 -0.292 119 HA GLU 14 HA GLU 14 45.716 -0.171 -1.689 120 HB2 GLU 14 HB2 GLU 14 44.865 1.538 -3.226 121 HB3 GLU 14 HB1 GLU 14 43.958 0.013 -3.498 122 HG2 GLU 14 HG2 GLU 14 42.009 0.885 -2.197 123 HG3 GLU 14 HG1 GLU 14 42.886 2.422 -1.871 124 H ASP 15 HN ASP 15 43.128 0.783 0.440 125 HA ASP 15 HA ASP 15 44.478 3.240 1.164 126 HB2 ASP 15 HB2 ASP 15 42.725 3.746 2.651 127 HB3 ASP 15 HB1 ASP 15 42.009 3.259 1.084 128 H GLU 16 HN GLU 16 44.348 -0.105 2.035 129 HA GLU 16 HA GLU 16 45.525 -0.106 4.555 130 HB2 GLU 16 HB2 GLU 16 44.576 -2.125 3.429 131 HB3 GLU 16 HB1 GLU 16 45.823 -2.003 2.147 132 HG2 GLU 16 HG2 GLU 16 47.617 -2.460 3.898 133 HG3 GLU 16 HG1 GLU 16 46.322 -2.600 5.144 134 H PHE 17 HN PHE 17 46.869 0.007 1.211 135 HA PHE 17 HA PHE 17 49.558 0.083 1.839 136 HB2 PHE 17 HB2 PHE 17 48.662 -0.373 -0.446 137 HB3 PHE 17 HB1 PHE 17 48.017 1.288 -0.542 138 HD1 PHE 17 HD1 PHE 17 49.458 3.176 -1.001 139 HD2 PHE 17 HD2 PHE 17 51.092 -0.763 -0.559 140 HE1 PHE 17 HE1 PHE 17 51.613 3.959 -1.955 141 HE2 PHE 17 HE2 PHE 17 53.212 -0.005 -1.575 142 HZ PHE 17 HZ PHE 17 53.504 2.375 -2.179 143 H LEU 18 HN LEU 18 47.116 2.724 1.607 144 HA LEU 18 HA LEU 18 48.978 4.812 1.683 145 HB2 LEU 18 HB2 LEU 18 45.971 4.551 2.069 146 HB3 LEU 18 HB1 LEU 18 46.720 6.130 2.352 147 HG LEU 18 HG LEU 18 47.003 4.518 -0.252 148 HD11 LEU 18 HD11 LEU 18 44.629 5.174 0.106 149 HD12 LEU 18 HD12 LEU 18 45.364 6.092 -1.259 150 HD13 LEU 18 HD13 LEU 18 45.125 6.892 0.341 151 HD21 LEU 18 HD21 LEU 18 48.887 6.118 0.041 152 HD22 LEU 18 HD22 LEU 18 47.722 7.459 0.355 153 HD23 LEU 18 HD23 LEU 18 47.785 6.666 -1.263 154 H GLU 19 HN GLU 19 47.643 2.858 4.313 155 HA GLU 19 HA GLU 19 48.306 4.946 6.266 156 HB2 GLU 19 HB2 GLU 19 46.975 2.192 6.553 157 HB3 GLU 19 HB1 GLU 19 47.294 3.342 7.907 158 HG2 GLU 19 HG2 GLU 19 45.870 5.067 6.753 159 HG3 GLU 19 HG1 GLU 19 45.448 3.881 5.481 160 H TYR 20 HN TYR 20 49.495 2.046 4.771 161 HA TYR 20 HA TYR 20 51.204 1.172 6.898 162 HB2 TYR 20 HB2 TYR 20 50.812 0.557 3.906 163 HB3 TYR 20 HB1 TYR 20 52.207 -0.104 4.714 164 HD1 TYR 20 HD1 TYR 20 48.972 0.136 6.603 165 HD2 TYR 20 HD2 TYR 20 51.765 -2.338 4.493 166 HE1 TYR 20 HE1 TYR 20 47.875 -1.868 7.523 167 HE2 TYR 20 HE2 TYR 20 50.671 -4.361 5.401 168 HH TYR 20 HH TYR 20 49.011 -5.178 6.688 169 H CYS 21 HN CYS 21 51.306 3.267 4.142 170 HA CYS 21 HA CYS 21 54.080 3.149 3.833 171 HB2 CYS 21 HB2 CYS 21 52.070 5.171 2.726 172 HB3 CYS 21 HB1 CYS 21 53.823 5.350 2.421 173 HG CYS 21 HG1 CYS 21 52.743 4.319 0.349 174 H ALA 22 HN ALA 22 52.279 4.606 6.250 175 HA ALA 22 HA ALA 22 53.791 6.920 6.833 176 HB1 ALA 22 HB1 ALA 22 52.606 6.797 9.032 177 HB2 ALA 22 HB2 ALA 22 52.044 5.125 8.629 178 HB3 ALA 22 HB3 ALA 22 51.459 6.528 7.665 179 H LYS 23 HN LYS 23 54.438 3.550 7.015 180 HA LYS 23 HA LYS 23 56.661 3.861 8.864 181 HB2 LYS 23 HB2 LYS 23 55.302 1.701 8.958 182 HB3 LYS 23 HB1 LYS 23 55.759 1.395 7.258 183 HG2 LYS 23 HG2 LYS 23 58.259 1.588 8.127 184 HG3 LYS 23 HG1 LYS 23 57.541 1.512 9.766 185 HD2 LYS 23 HD2 LYS 23 58.274 -0.693 9.195 186 HD3 LYS 23 HD1 LYS 23 56.477 -0.726 9.097 187 HE2 LYS 23 HE2 LYS 23 56.614 -0.585 6.581 188 HE3 LYS 23 HE1 LYS 23 58.415 -0.436 6.684 189 HZ1 LYS 23 HZ1 LYS 23 58.488 -2.614 7.682 190 HZ2 LYS 23 HZ2 LYS 23 57.723 -2.656 6.168 191 HZ3 LYS 23 HZ3 LYS 23 56.799 -2.759 7.590 192 H ASN 24 HN ASN 24 57.539 5.478 7.558 193 HA ASN 24 HA ASN 24 58.224 5.211 4.891 194 HB2 ASN 24 HB2 ASN 24 59.507 7.016 7.013 195 HB3 ASN 24 HB1 ASN 24 59.761 7.151 5.240 196 HD21 ASN 24 HD21 ASN 24 56.493 8.881 6.942 197 HD22 ASN 24 HD22 ASN 24 57.839 8.258 7.837 198 HA PRO 25 HA PRO 25 62.565 3.645 6.154 199 HB2 PRO 25 HB2 PRO 25 62.543 2.016 8.535 200 HB3 PRO 25 HB1 PRO 25 63.236 3.691 8.407 201 HG2 PRO 25 HG1 PRO 25 60.454 2.844 9.358 202 HG3 PRO 25 HG2 PRO 25 61.569 4.074 10.093 203 HD2 PRO 25 HD1 PRO 25 59.495 4.875 8.511 204 HD3 PRO 25 HD2 PRO 25 61.126 5.642 8.266 205 H SER 26 HN SER 26 63.129 1.670 5.210 206 HA SER 26 HA SER 26 62.846 -0.192 4.190 207 HB2 SER 26 HB2 SER 26 61.236 -0.933 6.684 208 HB3 SER 26 HB1 SER 26 61.602 -2.119 5.353 209 HG SER 26 HG1 SER 26 63.097 -2.182 7.025 210 H TYR 27 HN TYR 27 61.758 1.432 2.799 211 HA TYR 27 HA TYR 27 58.953 1.358 2.505 212 HB2 TYR 27 HB2 TYR 27 59.217 2.813 0.699 213 HB3 TYR 27 HB1 TYR 27 60.504 3.317 1.856 214 HD1 TYR 27 HD1 TYR 27 59.848 3.225 -1.437 215 HD2 TYR 27 HD2 TYR 27 62.806 1.581 1.220 216 HE1 TYR 27 HE1 TYR 27 61.370 2.909 -3.332 217 HE2 TYR 27 HE2 TYR 27 64.350 1.298 -0.669 218 HH TYR 27 HH TYR 27 63.399 2.192 -4.021 219 H GLU 28 HN GLU 28 61.628 -0.437 1.472 220 HA GLU 28 HA GLU 28 60.823 -1.673 -0.853 221 HB2 GLU 28 HB2 GLU 28 62.543 -3.483 0.032 222 HB3 GLU 28 HB1 GLU 28 63.112 -1.840 -0.400 223 HG2 GLU 28 HG2 GLU 28 63.190 -1.102 1.921 224 HG3 GLU 28 HG1 GLU 28 62.444 -2.624 2.516 225 H GLU 29 HN GLU 29 60.132 -2.396 2.609 226 HA GLU 29 HA GLU 29 58.970 -4.933 2.028 227 HB2 GLU 29 HB2 GLU 29 58.820 -3.086 4.460 228 HB3 GLU 29 HB1 GLU 29 57.990 -4.684 4.373 229 HG2 GLU 29 HG2 GLU 29 60.137 -5.858 4.036 230 HG3 GLU 29 HG1 GLU 29 61.036 -4.300 4.029 231 H ALA 30 HN ALA 30 57.775 -1.544 2.209 232 HA ALA 30 HA ALA 30 55.032 -2.377 2.121 233 HB1 ALA 30 HB1 ALA 30 56.295 0.399 1.669 234 HB2 ALA 30 HB2 ALA 30 55.690 -0.231 3.242 235 HB3 ALA 30 HB3 ALA 30 54.534 0.064 1.895 236 H TYR 31 HN TYR 31 57.545 -2.054 -0.235 237 HA TYR 31 HA TYR 31 55.731 -1.570 -2.461 238 HB2 TYR 31 HB2 TYR 31 57.956 -0.539 -2.690 239 HB3 TYR 31 HB1 TYR 31 58.727 -1.969 -2.051 240 HD1 TYR 31 HD1 TYR 31 60.350 -2.247 -3.746 241 HD2 TYR 31 HD2 TYR 31 56.213 -1.998 -4.830 242 HE1 TYR 31 HE1 TYR 31 60.902 -3.046 -6.014 243 HE2 TYR 31 HE2 TYR 31 56.730 -2.865 -7.077 244 HH TYR 31 HH TYR 31 58.344 -3.550 -8.494 245 H LEU 32 HN LEU 32 58.040 -4.109 -1.368 246 HA LEU 32 HA LEU 32 57.326 -5.833 -3.414 247 HB2 LEU 32 HB2 LEU 32 58.844 -6.256 -0.790 248 HB3 LEU 32 HB1 LEU 32 58.794 -7.475 -2.099 249 HG LEU 32 HG LEU 32 59.795 -4.581 -2.517 250 HD11 LEU 32 HD11 LEU 32 61.496 -7.076 -1.849 251 HD12 LEU 32 HD12 LEU 32 61.175 -5.692 -0.738 252 HD13 LEU 32 HD13 LEU 32 62.114 -5.429 -2.254 253 HD21 LEU 32 HD21 LEU 32 60.231 -7.145 -4.182 254 HD22 LEU 32 HD22 LEU 32 60.963 -5.529 -4.506 255 HD23 LEU 32 HD23 LEU 32 59.181 -5.744 -4.622 256 H LYS 33 HN LYS 33 56.071 -5.561 -0.134 257 HA LYS 33 HA LYS 33 54.852 -8.073 0.102 258 HB2 LYS 33 HB2 LYS 33 55.097 -6.454 2.032 259 HB3 LYS 33 HB1 LYS 33 53.976 -5.343 1.227 260 HG2 LYS 33 HG2 LYS 33 52.674 -7.966 1.493 261 HG3 LYS 33 HG1 LYS 33 53.389 -7.496 3.068 262 HD2 LYS 33 HD2 LYS 33 52.213 -5.348 3.051 263 HD3 LYS 33 HD1 LYS 33 51.651 -5.636 1.359 264 HE2 LYS 33 HE2 LYS 33 50.157 -7.411 2.025 265 HE3 LYS 33 HE1 LYS 33 50.765 -7.388 3.741 266 HZ1 LYS 33 HZ1 LYS 33 49.915 -5.148 3.928 267 HZ2 LYS 33 HZ2 LYS 33 48.687 -6.230 3.477 268 HZ3 LYS 33 HZ3 LYS 33 49.359 -5.181 2.325 269 H PHE 34 HN PHE 34 53.688 -4.908 -1.139 270 HA PHE 34 HA PHE 34 51.121 -5.910 -1.915 271 HB2 PHE 34 HB2 PHE 34 52.604 -3.222 -2.311 272 HB3 PHE 34 HB1 PHE 34 50.965 -3.531 -2.975 273 HD1 PHE 34 HD1 PHE 34 49.028 -3.372 -1.545 274 HD2 PHE 34 HD2 PHE 34 52.966 -3.413 0.160 275 HE1 PHE 34 HE1 PHE 34 48.090 -2.753 0.664 276 HE2 PHE 34 HE2 PHE 34 52.042 -2.834 2.353 277 HZ PHE 34 HZ PHE 34 49.604 -2.428 2.614 278 H GLY 35 HN GLY 35 53.301 -3.966 -3.978 279 HA2 GLY 35 HA2 GLY 35 54.609 -5.559 -5.484 280 HA3 GLY 35 HA1 GLY 35 52.960 -5.777 -6.206 281 H ASP 36 HN ASP 36 52.536 -4.468 -7.846 282 HA ASP 36 HA ASP 36 54.212 -2.282 -8.420 283 HB2 ASP 36 HB2 ASP 36 52.696 -1.972 -10.436 284 HB3 ASP 36 HB1 ASP 36 53.428 -3.596 -10.256 285 H LYS 37 HN LYS 37 51.886 -2.371 -6.129 286 HA LYS 37 HA LYS 37 50.288 -0.163 -6.551 287 HB2 LYS 37 HB2 LYS 37 49.909 -2.019 -4.893 288 HB3 LYS 37 HB1 LYS 37 51.245 -1.349 -3.922 289 HG2 LYS 37 HG2 LYS 37 49.071 -0.681 -2.998 290 HG3 LYS 37 HG1 LYS 37 50.001 0.746 -3.557 291 HD2 LYS 37 HD2 LYS 37 47.700 1.085 -4.030 292 HD3 LYS 37 HD1 LYS 37 48.545 0.913 -5.598 293 HE2 LYS 37 HE2 LYS 37 46.963 -1.380 -4.217 294 HE3 LYS 37 HE1 LYS 37 46.223 -0.203 -5.373 295 HZ1 LYS 37 HZ1 LYS 37 48.470 -2.044 -5.985 296 HZ2 LYS 37 HZ2 LYS 37 47.762 -0.929 -7.052 297 HZ3 LYS 37 HZ3 LYS 37 46.846 -2.227 -6.451 298 H LEU 38 HN LEU 38 53.555 -0.496 -5.068 299 HA LEU 38 HA LEU 38 53.574 2.270 -4.222 300 HB2 LEU 38 HB2 LEU 38 54.834 0.366 -2.951 301 HB3 LEU 38 HB1 LEU 38 55.911 0.247 -4.304 302 HG LEU 38 HG LEU 38 55.598 3.028 -3.209 303 HD11 LEU 38 HD11 LEU 38 55.407 1.763 -1.078 304 HD12 LEU 38 HD12 LEU 38 56.959 2.672 -1.179 305 HD13 LEU 38 HD13 LEU 38 56.938 0.892 -1.441 306 HD21 LEU 38 HD21 LEU 38 57.305 2.461 -4.927 307 HD22 LEU 38 HD22 LEU 38 58.065 1.275 -3.799 308 HD23 LEU 38 HD23 LEU 38 58.088 3.040 -3.406 309 H LEU 39 HN LEU 39 54.413 0.528 -7.157 310 HA LEU 39 HA LEU 39 56.208 2.502 -8.110 311 HB2 LEU 39 HB2 LEU 39 54.555 0.452 -9.668 312 HB3 LEU 39 HB1 LEU 39 55.925 1.416 -10.313 313 HG LEU 39 HG LEU 39 56.055 -0.684 -8.061 314 HD11 LEU 39 HD11 LEU 39 55.658 -1.645 -10.320 315 HD12 LEU 39 HD12 LEU 39 57.307 -2.056 -9.707 316 HD13 LEU 39 HD13 LEU 39 57.101 -0.765 -10.955 317 HD21 LEU 39 HD21 LEU 39 58.556 -0.471 -8.254 318 HD22 LEU 39 HD22 LEU 39 57.791 1.028 -7.626 319 HD23 LEU 39 HD23 LEU 39 58.342 0.948 -9.344 320 H GLU 40 HN GLU 40 52.708 1.814 -8.698 321 HA GLU 40 HA GLU 40 52.396 3.918 -10.547 322 HB2 GLU 40 HB2 GLU 40 49.943 3.502 -10.258 323 HB3 GLU 40 HB1 GLU 40 50.879 2.013 -10.654 324 HG2 GLU 40 HG2 GLU 40 50.832 1.384 -8.210 325 HG3 GLU 40 HG1 GLU 40 49.882 2.836 -7.844 326 H TYR 41 HN TYR 41 51.974 3.719 -6.999 327 HA TYR 41 HA TYR 41 50.466 6.146 -6.870 328 HB2 TYR 41 HB2 TYR 41 51.591 4.093 -4.905 329 HB3 TYR 41 HB1 TYR 41 51.241 5.688 -4.256 330 HD1 TYR 41 HD1 TYR 41 49.612 4.760 -2.769 331 HD2 TYR 41 HD2 TYR 41 48.962 4.517 -7.027 332 HE1 TYR 41 HE1 TYR 41 47.250 4.195 -2.397 333 HE2 TYR 41 HE2 TYR 41 46.625 3.989 -6.643 334 HH TYR 41 HH TYR 41 44.991 3.657 -5.134 335 H GLU 42 HN GLU 42 53.806 5.251 -6.950 336 HA GLU 42 HA GLU 42 54.847 7.665 -5.837 337 HB2 GLU 42 HB2 GLU 42 56.147 5.517 -6.032 338 HB3 GLU 42 HB1 GLU 42 56.168 5.715 -7.813 339 HG2 GLU 42 HG2 GLU 42 57.465 7.895 -7.487 340 HG3 GLU 42 HG1 GLU 42 57.439 7.596 -5.707 341 H LEU 43 HN LEU 43 54.112 6.418 -9.109 342 HA LEU 43 HA LEU 43 54.893 8.739 -10.516 343 HB2 LEU 43 HB2 LEU 43 53.087 6.351 -11.189 344 HB3 LEU 43 HB1 LEU 43 53.515 7.595 -12.400 345 HG LEU 43 HG LEU 43 55.579 5.885 -10.894 346 HD11 LEU 43 HD11 LEU 43 54.099 4.428 -12.254 347 HD12 LEU 43 HD12 LEU 43 55.758 4.513 -12.956 348 HD13 LEU 43 HD13 LEU 43 54.410 5.446 -13.712 349 HD21 LEU 43 HD21 LEU 43 57.145 6.589 -12.707 350 HD22 LEU 43 HD22 LEU 43 56.547 8.000 -11.765 351 HD23 LEU 43 HD23 LEU 43 55.869 7.657 -13.402 352 H LEU 44 HN LEU 44 52.047 7.920 -8.651 353 HA LEU 44 HA LEU 44 50.232 9.606 -10.015 354 HB2 LEU 44 HB2 LEU 44 49.786 7.535 -8.493 355 HB3 LEU 44 HB1 LEU 44 49.919 8.659 -7.140 356 HG LEU 44 HG LEU 44 47.634 8.238 -7.654 357 HD11 LEU 44 HD11 LEU 44 48.246 10.970 -8.902 358 HD12 LEU 44 HD12 LEU 44 48.216 10.596 -7.135 359 HD13 LEU 44 HD13 LEU 44 46.698 10.451 -8.119 360 HD21 LEU 44 HD21 LEU 44 47.945 7.309 -9.923 361 HD22 LEU 44 HD22 LEU 44 48.144 8.970 -10.604 362 HD23 LEU 44 HD23 LEU 44 46.572 8.482 -9.865 363 H GLY 45 HN GLY 45 51.395 9.817 -6.591 364 HA2 GLY 45 HA2 GLY 45 52.776 11.842 -6.174 365 HA3 GLY 45 HA1 GLY 45 51.319 12.736 -6.780 366 H LYS 46 HN LYS 46 50.961 9.669 -5.112 367 HA LYS 46 HA LYS 46 49.504 10.941 -2.959 368 HB2 LYS 46 HB2 LYS 46 49.953 8.032 -3.715 369 HB3 LYS 46 HB1 LYS 46 49.022 8.581 -2.271 370 HG2 LYS 46 HG2 LYS 46 47.537 9.938 -3.767 371 HG3 LYS 46 HG1 LYS 46 48.384 9.274 -5.208 372 HD2 LYS 46 HD2 LYS 46 47.621 7.000 -4.669 373 HD3 LYS 46 HD1 LYS 46 46.926 7.564 -3.102 374 HE2 LYS 46 HE2 LYS 46 45.342 9.066 -4.327 375 HE3 LYS 46 HE1 LYS 46 45.996 8.475 -5.909 376 HZ1 LYS 46 HZ1 LYS 46 43.985 7.335 -5.293 377 HZ2 LYS 46 HZ2 LYS 46 44.665 6.815 -3.826 378 HZ3 LYS 46 HZ3 LYS 46 45.292 6.250 -5.299 379 H ILE 47 HN ILE 47 52.160 8.595 -3.475 380 HA ILE 47 HA ILE 47 53.566 9.475 -1.043 381 HB ILE 47 HB ILE 47 54.997 7.490 -1.491 382 HG12 ILE 47 HG12 ILE 47 52.803 6.305 -3.187 383 HG13 ILE 47 HG11 ILE 47 53.834 7.492 -4.022 384 HG21 ILE 47 HG21 ILE 47 53.381 5.874 -0.537 385 HG22 ILE 47 HG22 ILE 47 51.999 6.939 -0.988 386 HG23 ILE 47 HG23 ILE 47 53.205 7.493 0.236 387 HD11 ILE 47 HD1 ILE 47 54.870 5.103 -2.493 388 HD12 ILE 47 HD2 ILE 47 55.883 6.242 -3.449 389 HD13 ILE 47 HD3 ILE 47 54.688 5.160 -4.276 390 H LYS 48 HN LYS 48 56.086 9.401 -1.612 391 HA LYS 48 HA LYS 48 56.635 9.537 -4.401 392 HB2 LYS 48 HB2 LYS 48 57.733 11.712 -2.467 393 HB3 LYS 48 HB1 LYS 48 58.222 11.543 -4.183 394 HG2 LYS 48 HG2 LYS 48 55.928 12.176 -4.915 395 HG3 LYS 48 HG1 LYS 48 55.424 12.374 -3.199 396 HD2 LYS 48 HD2 LYS 48 57.654 13.977 -4.590 397 HD3 LYS 48 HD1 LYS 48 55.960 14.533 -4.327 398 HE2 LYS 48 HE2 LYS 48 56.296 14.348 -1.824 399 HE3 LYS 48 HE1 LYS 48 58.020 13.868 -2.111 400 HZ1 LYS 48 HZ1 LYS 48 56.751 16.421 -2.948 401 HZ2 LYS 48 HZ2 LYS 48 58.365 15.968 -3.215 402 HZ3 LYS 48 HZ3 LYS 48 57.798 16.193 -1.630 403 H ARG 49 HN ARG 49 59.098 9.356 -4.679 404 HA ARG 49 HA ARG 49 60.526 8.606 -2.282 405 HB2 ARG 49 HB2 ARG 49 59.573 6.426 -3.055 406 HB3 ARG 49 HB1 ARG 49 60.335 6.658 -4.660 407 HG2 ARG 49 HG2 ARG 49 62.065 6.745 -2.130 408 HG3 ARG 49 HG1 ARG 49 61.415 5.181 -2.711 409 HD2 ARG 49 HD2 ARG 49 62.524 5.499 -4.938 410 HD3 ARG 49 HD1 ARG 49 63.217 7.074 -4.362 411 HE ARG 49 HE ARG 49 63.787 4.752 -2.609 412 HH11 ARG 49 HH11 ARG 49 65.975 3.954 -2.563 413 HH12 ARG 49 HH12 ARG 49 67.133 4.507 -3.727 414 HH21 ARG 49 HH21 ARG 49 64.884 6.669 -5.429 415 HH22 ARG 49 HH22 ARG 49 66.506 6.068 -5.372 416 H ILE 50 HN ILE 50 62.665 9.341 -2.544 417 HA ILE 50 HA ILE 50 63.622 9.908 -5.198 418 HB ILE 50 HB ILE 50 62.293 11.897 -4.774 419 HG12 ILE 50 HG12 ILE 50 65.286 12.573 -4.563 420 HG13 ILE 50 HG11 ILE 50 64.515 11.885 -6.034 421 HG21 ILE 50 HG21 ILE 50 62.779 13.452 -2.925 422 HG22 ILE 50 HG22 ILE 50 64.079 12.378 -2.299 423 HG23 ILE 50 HG23 ILE 50 62.359 11.841 -2.249 424 HD11 ILE 50 HD1 ILE 50 62.931 13.810 -6.132 425 HD12 ILE 50 HD2 ILE 50 64.652 14.346 -6.234 426 HD13 ILE 50 HD3 ILE 50 63.734 14.559 -4.696 427 H ASN 51 HN ASN 51 63.931 9.809 -1.661 428 HA ASN 51 HA ASN 51 66.743 10.336 -1.737 429 HB2 ASN 51 HB2 ASN 51 64.873 9.559 0.598 430 HB3 ASN 51 HB1 ASN 51 66.588 10.110 0.752 431 HD21 ASN 51 HD21 ASN 51 63.641 12.857 0.654 432 HD22 ASN 51 HD22 ASN 51 63.410 11.169 0.967 433 H HIS 52 HN HIS 52 65.675 7.925 0.535 434 HA HIS 52 HA HIS 52 66.947 5.771 -1.014 435 HB2 HIS 52 HB2 HIS 52 68.393 6.439 0.935 436 HB3 HIS 52 HB1 HIS 52 66.982 6.260 2.029 437 HD1 HIS 52 HD1 HIS 52 68.828 4.036 -0.517 438 HD2 HIS 52 HD2 HIS 52 66.909 3.759 3.207 439 HE1 HIS 52 HE1 HIS 52 69.035 1.634 0.261 440 HE2 HIS 52 HE2 HIS 52 67.857 1.508 2.501 441 H ILE 53 HN ILE 53 64.368 7.078 1.023 442 HA ILE 53 HA ILE 53 62.883 4.552 0.870 443 HB ILE 53 HB ILE 53 61.948 5.052 3.088 444 HG12 ILE 53 HG12 ILE 53 64.324 7.006 3.393 445 HG13 ILE 53 HG11 ILE 53 62.628 7.524 3.088 446 HG21 ILE 53 HG21 ILE 53 63.842 4.037 4.297 447 HG22 ILE 53 HG22 ILE 53 64.984 4.530 2.996 448 HG23 ILE 53 HG23 ILE 53 63.691 3.317 2.659 449 HD11 ILE 53 HD1 ILE 53 61.893 6.236 5.107 450 HD12 ILE 53 HD2 ILE 53 62.980 7.635 5.489 451 HD13 ILE 53 HD3 ILE 53 63.622 5.947 5.541 452 H VAL 54 HN VAL 54 60.531 5.066 1.502 453 HA VAL 54 HA VAL 54 59.603 6.989 -0.366 454 HB VAL 54 HB VAL 54 58.670 4.677 0.004 455 HG11 VAL 54 HG11 VAL 54 57.342 5.905 2.516 456 HG12 VAL 54 HG12 VAL 54 58.708 4.728 2.545 457 HG13 VAL 54 HG13 VAL 54 57.115 4.250 1.856 458 HG21 VAL 54 HG21 VAL 54 57.430 6.333 -1.310 459 HG22 VAL 54 HG22 VAL 54 56.636 6.969 0.186 460 HG23 VAL 54 HG23 VAL 54 56.319 5.288 -0.359 461 H VAL 55 HN VAL 55 58.203 8.788 0.175 462 HA VAL 55 HA VAL 55 58.024 9.514 3.003 463 HB VAL 55 HB VAL 55 58.073 11.916 2.352 464 HG11 VAL 55 HG11 VAL 55 60.653 10.350 1.671 465 HG12 VAL 55 HG12 VAL 55 60.070 10.761 3.329 466 HG13 VAL 55 HG13 VAL 55 60.544 12.072 2.186 467 HG21 VAL 55 HG21 VAL 55 57.504 11.683 -0.090 468 HG22 VAL 55 HG22 VAL 55 59.083 10.862 -0.386 469 HG23 VAL 55 HG23 VAL 55 59.042 12.579 0.143 470 H LEU 56 HN LEU 56 55.965 10.670 3.406 471 HA LEU 56 HA LEU 56 53.898 9.991 1.452 472 HB2 LEU 56 HB2 LEU 56 53.749 11.419 4.169 473 HB3 LEU 56 HB1 LEU 56 52.333 11.049 3.129 474 HG LEU 56 HG LEU 56 54.184 8.914 4.363 475 HD11 LEU 56 HD11 LEU 56 53.040 10.215 6.147 476 HD12 LEU 56 HD12 LEU 56 52.360 8.548 6.027 477 HD13 LEU 56 HD13 LEU 56 51.446 9.945 5.346 478 HD21 LEU 56 HD21 LEU 56 52.302 7.346 3.886 479 HD22 LEU 56 HD22 LEU 56 53.002 8.045 2.377 480 HD23 LEU 56 HD23 LEU 56 51.425 8.654 3.014 481 H ALA 57 HN ALA 57 52.614 11.766 0.489 482 HA ALA 57 HA ALA 57 54.234 14.038 -0.150 483 HB1 ALA 57 HB1 ALA 57 52.742 13.069 -1.883 484 HB2 ALA 57 HB2 ALA 57 52.273 14.770 -1.529 485 HB3 ALA 57 HB3 ALA 57 51.304 13.403 -0.857 486 H HIS 58 HN HIS 58 50.959 13.609 1.310 487 HA HIS 58 HA HIS 58 51.724 15.468 3.428 488 HB2 HIS 58 HB2 HIS 58 48.965 15.413 2.027 489 HB3 HIS 58 HB1 HIS 58 49.330 16.238 3.584 490 HD1 HIS 58 HD1 HIS 58 50.250 16.429 -0.115 491 HD2 HIS 58 HD2 HIS 58 50.418 18.789 3.352 492 HE1 HIS 58 HE1 HIS 58 50.968 18.754 -0.820 493 HE2 HIS 58 HE2 HIS 58 51.063 20.142 1.298 494 H HIS 59 HN HIS 59 48.931 13.422 2.379 495 HA HIS 59 HA HIS 59 49.969 11.275 4.027 496 HB2 HIS 59 HB2 HIS 59 48.151 12.225 5.476 497 HB3 HIS 59 HB1 HIS 59 47.015 12.149 4.086 498 HD1 HIS 59 HD1 HIS 59 49.338 9.671 5.905 499 HD2 HIS 59 HD2 HIS 59 45.565 9.780 4.070 500 HE1 HIS 59 HE1 HIS 59 48.319 7.362 6.139 501 HE2 HIS 59 HE2 HIS 59 46.054 7.468 5.010 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 34.858 -14.356 7.612 2 H2 MET 1 HT2 MET 1 33.465 -14.313 8.582 3 H3 MET 1 HT3 MET 1 34.847 -15.145 9.117 4 HA MET 1 HA MET 1 34.587 -13.078 10.240 5 HB2 MET 1 HB2 MET 1 36.886 -13.980 9.837 6 HB3 MET 1 HB1 MET 1 36.962 -13.126 8.269 7 HG2 MET 1 HG2 MET 1 38.267 -11.957 9.992 8 HG3 MET 1 HG1 MET 1 36.936 -10.941 9.378 9 HE1 MET 1 HE1 MET 1 38.435 -13.035 12.290 10 HE2 MET 1 HE2 MET 1 36.889 -13.936 12.108 11 HE3 MET 1 HE3 MET 1 37.196 -12.971 13.588 12 H LEU 2 HN LEU 2 35.577 -12.300 6.827 13 HA LEU 2 HA LEU 2 34.230 -9.754 6.998 14 HB2 LEU 2 HB2 LEU 2 36.465 -10.784 5.591 15 HB3 LEU 2 HB1 LEU 2 35.262 -10.523 4.307 16 HG LEU 2 HG LEU 2 36.123 -8.433 6.395 17 HD11 LEU 2 HD11 LEU 2 37.083 -8.755 3.478 18 HD12 LEU 2 HD12 LEU 2 38.047 -9.107 4.962 19 HD13 LEU 2 HD13 LEU 2 37.532 -7.417 4.603 20 HD21 LEU 2 HD21 LEU 2 33.916 -7.839 5.483 21 HD22 LEU 2 HD22 LEU 2 34.521 -8.048 3.791 22 HD23 LEU 2 HD23 LEU 2 35.167 -6.725 4.832 23 H LYS 3 HN LYS 3 33.064 -9.328 4.631 24 HA LYS 3 HA LYS 3 30.850 -11.210 4.643 25 HB2 LYS 3 HB2 LYS 3 30.346 -8.771 4.789 26 HB3 LYS 3 HB1 LYS 3 31.162 -8.508 3.223 27 HG2 LYS 3 HG2 LYS 3 28.689 -8.539 3.000 28 HG3 LYS 3 HG1 LYS 3 29.469 -9.834 2.041 29 HD2 LYS 3 HD2 LYS 3 27.456 -10.686 2.968 30 HD3 LYS 3 HD1 LYS 3 28.796 -11.540 3.779 31 HE2 LYS 3 HE2 LYS 3 27.274 -9.119 5.007 32 HE3 LYS 3 HE1 LYS 3 26.782 -10.841 5.246 33 HZ1 LYS 3 HZ1 LYS 3 28.899 -11.278 6.257 34 HZ2 LYS 3 HZ2 LYS 3 28.082 -10.025 7.062 35 HZ3 LYS 3 HZ3 LYS 3 29.389 -9.667 6.037 36 H ASP 4 HN ASP 4 31.841 -12.982 3.685 37 HA ASP 4 HA ASP 4 31.880 -12.862 0.795 38 HB2 ASP 4 HB2 ASP 4 34.100 -14.215 2.492 39 HB3 ASP 4 HB1 ASP 4 33.869 -14.455 0.719 40 H TYR 5 HN TYR 5 31.066 -14.881 -0.000 41 HA TYR 5 HA TYR 5 30.170 -16.784 2.073 42 HB2 TYR 5 HB2 TYR 5 28.746 -15.947 -0.489 43 HB3 TYR 5 HB1 TYR 5 28.228 -17.310 0.585 44 HD1 TYR 5 HD1 TYR 5 27.875 -13.796 -0.048 45 HD2 TYR 5 HD2 TYR 5 27.818 -16.756 3.070 46 HE1 TYR 5 HE1 TYR 5 26.476 -12.310 1.335 47 HE2 TYR 5 HE2 TYR 5 26.429 -15.269 4.462 48 HH TYR 5 HH TYR 5 25.336 -13.311 4.598 49 H HIS 6 HN HIS 6 29.311 -17.994 -0.731 50 HA HIS 6 HA HIS 6 31.655 -19.566 -1.239 51 HB2 HIS 6 HB2 HIS 6 28.951 -19.344 -2.630 52 HB3 HIS 6 HB1 HIS 6 30.241 -20.487 -3.122 53 HD1 HIS 6 HD1 HIS 6 28.003 -19.773 -0.098 54 HD2 HIS 6 HD2 HIS 6 30.282 -22.890 -1.746 55 HE1 HIS 6 HE1 HIS 6 27.537 -21.854 1.271 56 HE2 HIS 6 HE2 HIS 6 28.932 -23.705 0.248 57 H LEU 7 HN LEU 7 30.370 -16.496 -2.166 58 HA LEU 7 HA LEU 7 31.322 -16.412 -4.826 59 HB2 LEU 7 HB2 LEU 7 30.694 -14.069 -2.924 60 HB3 LEU 7 HB1 LEU 7 30.775 -13.995 -4.719 61 HG LEU 7 HG LEU 7 28.705 -15.534 -3.026 62 HD11 LEU 7 HD11 LEU 7 27.085 -13.815 -3.782 63 HD12 LEU 7 HD12 LEU 7 28.398 -12.938 -4.657 64 HD13 LEU 7 HD13 LEU 7 28.444 -13.074 -2.858 65 HD21 LEU 7 HD21 LEU 7 29.046 -16.706 -5.183 66 HD22 LEU 7 HD22 LEU 7 28.838 -15.156 -6.086 67 HD23 LEU 7 HD23 LEU 7 27.455 -15.867 -5.169 68 H LYS 8 HN LYS 8 33.203 -15.338 -5.620 69 HA LYS 8 HA LYS 8 35.141 -14.458 -3.618 70 HB2 LYS 8 HB2 LYS 8 35.719 -16.843 -4.223 71 HB3 LYS 8 HB1 LYS 8 35.715 -16.388 -5.956 72 HG2 LYS 8 HG2 LYS 8 38.003 -16.557 -5.122 73 HG3 LYS 8 HG1 LYS 8 37.659 -14.851 -5.558 74 HD2 LYS 8 HD2 LYS 8 37.283 -14.314 -3.126 75 HD3 LYS 8 HD1 LYS 8 37.650 -16.019 -2.697 76 HE2 LYS 8 HE2 LYS 8 39.598 -14.035 -4.078 77 HE3 LYS 8 HE1 LYS 8 39.605 -14.473 -2.321 78 HZ1 LYS 8 HZ1 LYS 8 40.033 -16.343 -4.591 79 HZ2 LYS 8 HZ2 LYS 8 40.042 -16.748 -2.941 80 HZ3 LYS 8 HZ3 LYS 8 41.227 -15.703 -3.566 81 H GLU 9 HN GLU 9 35.998 -12.518 -4.185 82 HA GLU 9 HA GLU 9 35.995 -11.728 -6.973 83 HB2 GLU 9 HB2 GLU 9 35.074 -9.609 -6.544 84 HB3 GLU 9 HB1 GLU 9 33.976 -10.787 -5.743 85 HG2 GLU 9 HG2 GLU 9 36.124 -9.074 -4.356 86 HG3 GLU 9 HG1 GLU 9 34.364 -8.712 -4.401 87 H MET 10 HN MET 10 37.458 -9.512 -6.940 88 HA MET 10 HA MET 10 39.760 -10.093 -5.257 89 HB2 MET 10 HB2 MET 10 40.279 -10.034 -7.644 90 HB3 MET 10 HB1 MET 10 39.406 -8.479 -7.827 91 HG2 MET 10 HG2 MET 10 41.819 -8.077 -7.793 92 HG3 MET 10 HG1 MET 10 40.995 -7.353 -6.376 93 HE1 MET 10 HE1 MET 10 44.012 -7.447 -6.541 94 HE2 MET 10 HE2 MET 10 44.474 -8.013 -4.899 95 HE3 MET 10 HE3 MET 10 43.096 -6.879 -5.103 96 HA PRO 11 HA PRO 11 37.584 -6.702 -3.253 97 HB2 PRO 11 HB2 PRO 11 39.379 -6.245 -1.060 98 HB3 PRO 11 HB1 PRO 11 38.058 -7.471 -1.127 99 HG2 PRO 11 HG1 PRO 11 41.015 -7.856 -1.823 100 HG3 PRO 11 HG2 PRO 11 39.957 -8.902 -0.781 101 HD2 PRO 11 HD1 PRO 11 40.385 -9.617 -3.373 102 HD3 PRO 11 HD2 PRO 11 38.684 -9.652 -2.736 103 H GLU 12 HN GLU 12 41.053 -6.375 -4.074 104 HA GLU 12 HA GLU 12 42.294 -4.734 -4.698 105 HB2 GLU 12 HB2 GLU 12 39.743 -3.252 -5.508 106 HB3 GLU 12 HB1 GLU 12 41.423 -2.819 -5.995 107 HG2 GLU 12 HG2 GLU 12 41.643 -5.052 -7.155 108 HG3 GLU 12 HG1 GLU 12 39.941 -5.437 -6.696 109 H MET 13 HN MET 13 42.841 -4.533 -2.357 110 HA MET 13 HA MET 13 41.764 -2.181 -1.036 111 HB2 MET 13 HB2 MET 13 43.850 -4.233 -0.124 112 HB3 MET 13 HB1 MET 13 43.201 -2.881 0.876 113 HG2 MET 13 HG2 MET 13 40.893 -3.848 0.637 114 HG3 MET 13 HG1 MET 13 41.571 -5.222 -0.291 115 HE1 MET 13 HE1 MET 13 40.406 -6.904 1.224 116 HE2 MET 13 HE2 MET 13 39.682 -5.528 2.125 117 HE3 MET 13 HE3 MET 13 40.448 -6.885 3.020 118 H GLU 14 HN GLU 14 43.139 -0.386 -0.376 119 HA GLU 14 HA GLU 14 45.660 -0.082 -1.752 120 HB2 GLU 14 HB2 GLU 14 44.829 1.673 -3.295 121 HB3 GLU 14 HB1 GLU 14 43.906 0.161 -3.565 122 HG2 GLU 14 HG2 GLU 14 42.020 1.060 -2.127 123 HG3 GLU 14 HG1 GLU 14 42.886 2.631 -2.004 124 H ASP 15 HN ASP 15 43.091 0.976 0.357 125 HA ASP 15 HA ASP 15 44.551 3.362 1.115 126 HB2 ASP 15 HB2 ASP 15 42.783 3.943 2.570 127 HB3 ASP 15 HB1 ASP 15 42.088 3.512 0.978 128 H GLU 16 HN GLU 16 44.269 0.022 1.919 129 HA GLU 16 HA GLU 16 45.373 -0.083 4.473 130 HB2 GLU 16 HB2 GLU 16 44.389 -2.048 3.242 131 HB3 GLU 16 HB1 GLU 16 45.703 -1.927 2.028 132 HG2 GLU 16 HG2 GLU 16 47.388 -2.425 3.913 133 HG3 GLU 16 HG1 GLU 16 45.989 -2.678 5.018 134 H PHE 17 HN PHE 17 46.792 0.075 1.163 135 HA PHE 17 HA PHE 17 49.467 0.013 1.863 136 HB2 PHE 17 HB2 PHE 17 48.640 -0.374 -0.453 137 HB3 PHE 17 HB1 PHE 17 48.046 1.309 -0.540 138 HD1 PHE 17 HD1 PHE 17 51.125 -0.795 -0.366 139 HD2 PHE 17 HD2 PHE 17 49.498 3.110 -1.052 140 HE1 PHE 17 HE1 PHE 17 53.292 -0.068 -1.309 141 HE2 PHE 17 HE2 PHE 17 51.680 3.860 -1.942 142 HZ PHE 17 HZ PHE 17 53.602 2.301 -2.005 143 H LEU 18 HN LEU 18 47.135 2.745 1.658 144 HA LEU 18 HA LEU 18 49.092 4.754 1.853 145 HB2 LEU 18 HB2 LEU 18 46.059 4.616 2.108 146 HB3 LEU 18 HB1 LEU 18 46.873 6.151 2.456 147 HG LEU 18 HG LEU 18 47.185 4.576 -0.164 148 HD11 LEU 18 HD11 LEU 18 45.396 7.028 0.387 149 HD12 LEU 18 HD12 LEU 18 44.831 5.338 0.106 150 HD13 LEU 18 HD13 LEU 18 45.665 6.239 -1.214 151 HD21 LEU 18 HD21 LEU 18 49.129 6.084 0.256 152 HD22 LEU 18 HD22 LEU 18 48.008 7.474 0.511 153 HD23 LEU 18 HD23 LEU 18 48.131 6.682 -1.104 154 H GLU 19 HN GLU 19 47.611 2.753 4.322 155 HA GLU 19 HA GLU 19 48.194 4.753 6.404 156 HB2 GLU 19 HB2 GLU 19 46.795 2.045 6.499 157 HB3 GLU 19 HB1 GLU 19 47.165 3.043 7.949 158 HG2 GLU 19 HG2 GLU 19 45.363 3.903 5.589 159 HG3 GLU 19 HG1 GLU 19 44.834 3.356 7.218 160 H TYR 20 HN TYR 20 49.455 1.955 4.812 161 HA TYR 20 HA TYR 20 51.180 1.045 6.934 162 HB2 TYR 20 HB2 TYR 20 50.756 0.474 3.940 163 HB3 TYR 20 HB1 TYR 20 52.148 -0.210 4.733 164 HD1 TYR 20 HD1 TYR 20 51.759 -2.451 4.603 165 HD2 TYR 20 HD2 TYR 20 48.837 0.023 6.537 166 HE1 TYR 20 HE1 TYR 20 50.610 -4.471 5.437 167 HE2 TYR 20 HE2 TYR 20 47.703 -1.977 7.403 168 HH TYR 20 HH TYR 20 48.878 -5.286 6.630 169 H CYS 21 HN CYS 21 51.110 3.292 4.342 170 HA CYS 21 HA CYS 21 53.857 3.293 3.830 171 HB2 CYS 21 HB2 CYS 21 51.622 5.205 3.030 172 HB3 CYS 21 HB1 CYS 21 53.319 5.691 2.725 173 HG CYS 21 HG1 CYS 21 52.344 4.790 0.553 174 H ALA 22 HN ALA 22 52.109 4.499 6.443 175 HA ALA 22 HA ALA 22 53.511 6.812 7.176 176 HB1 ALA 22 HB1 ALA 22 51.263 6.134 8.102 177 HB2 ALA 22 HB2 ALA 22 52.472 6.395 9.415 178 HB3 ALA 22 HB3 ALA 22 52.035 4.720 8.896 179 H LYS 23 HN LYS 23 54.369 3.458 7.114 180 HA LYS 23 HA LYS 23 56.604 3.757 8.949 181 HB2 LYS 23 HB2 LYS 23 55.261 1.618 9.075 182 HB3 LYS 23 HB1 LYS 23 55.627 1.314 7.351 183 HG2 LYS 23 HG2 LYS 23 58.126 1.290 7.979 184 HG3 LYS 23 HG1 LYS 23 57.636 1.516 9.688 185 HD2 LYS 23 HD2 LYS 23 58.123 -0.829 9.348 186 HD3 LYS 23 HD1 LYS 23 56.354 -0.649 9.592 187 HE2 LYS 23 HE2 LYS 23 56.839 -2.311 7.806 188 HE3 LYS 23 HE1 LYS 23 56.001 -0.882 7.086 189 HZ1 LYS 23 HZ1 LYS 23 58.160 -0.060 6.386 190 HZ2 LYS 23 HZ2 LYS 23 57.835 -1.602 5.753 191 HZ3 LYS 23 HZ3 LYS 23 58.924 -1.427 7.042 192 H ASN 24 HN ASN 24 57.510 5.373 7.668 193 HA ASN 24 HA ASN 24 58.139 5.087 4.998 194 HB2 ASN 24 HB2 ASN 24 59.447 6.939 7.067 195 HB3 ASN 24 HB1 ASN 24 59.707 7.035 5.298 196 HD21 ASN 24 HD21 ASN 24 56.378 8.703 7.002 197 HD22 ASN 24 HD22 ASN 24 57.670 8.008 7.924 198 HA PRO 25 HA PRO 25 62.527 3.569 6.249 199 HB2 PRO 25 HB2 PRO 25 61.645 1.845 8.634 200 HB3 PRO 25 HB1 PRO 25 63.235 2.666 8.387 201 HG2 PRO 25 HG1 PRO 25 61.340 3.698 10.119 202 HG3 PRO 25 HG2 PRO 25 62.394 4.768 9.104 203 HD2 PRO 25 HD1 PRO 25 59.448 4.067 8.619 204 HD3 PRO 25 HD2 PRO 25 60.389 5.585 8.294 205 H SER 26 HN SER 26 63.117 1.671 5.116 206 HA SER 26 HA SER 26 62.861 -0.122 3.951 207 HB2 SER 26 HB2 SER 26 61.219 -1.051 6.366 208 HB3 SER 26 HB1 SER 26 61.728 -2.143 5.003 209 HG SER 26 HG1 SER 26 63.137 -2.191 6.751 210 H TYR 27 HN TYR 27 61.692 1.563 2.650 211 HA TYR 27 HA TYR 27 58.896 1.437 2.388 212 HB2 TYR 27 HB2 TYR 27 59.109 2.938 0.591 213 HB3 TYR 27 HB1 TYR 27 60.383 3.439 1.764 214 HD1 TYR 27 HD1 TYR 27 62.732 1.797 1.111 215 HD2 TYR 27 HD2 TYR 27 59.747 3.397 -1.540 216 HE1 TYR 27 HE1 TYR 27 64.308 1.623 -0.761 217 HE2 TYR 27 HE2 TYR 27 61.292 3.157 -3.428 218 HH TYR 27 HH TYR 27 64.629 1.875 -2.975 219 H GLU 28 HN GLU 28 61.584 -0.280 1.202 220 HA GLU 28 HA GLU 28 60.678 -1.438 -1.122 221 HB2 GLU 28 HB2 GLU 28 62.500 -3.230 -0.416 222 HB3 GLU 28 HB1 GLU 28 62.991 -1.552 -0.807 223 HG2 GLU 28 HG2 GLU 28 63.221 -0.912 1.521 224 HG3 GLU 28 HG1 GLU 28 62.485 -2.438 2.112 225 H GLU 29 HN GLU 29 60.096 -2.257 2.326 226 HA GLU 29 HA GLU 29 59.067 -4.853 1.753 227 HB2 GLU 29 HB2 GLU 29 58.759 -3.041 4.203 228 HB3 GLU 29 HB1 GLU 29 58.121 -4.723 4.091 229 HG2 GLU 29 HG2 GLU 29 60.430 -5.601 3.699 230 HG3 GLU 29 HG1 GLU 29 61.100 -3.941 3.867 231 H ALA 30 HN ALA 30 57.719 -1.534 1.921 232 HA ALA 30 HA ALA 30 55.007 -2.415 1.921 233 HB1 ALA 30 HB1 ALA 30 55.633 -0.181 2.846 234 HB2 ALA 30 HB2 ALA 30 54.445 -0.025 1.503 235 HB3 ALA 30 HB3 ALA 30 56.189 0.336 1.215 236 H TYR 31 HN TYR 31 57.488 -1.909 -0.543 237 HA TYR 31 HA TYR 31 55.650 -1.784 -2.748 238 HB2 TYR 31 HB2 TYR 31 57.901 -0.807 -3.061 239 HB3 TYR 31 HB1 TYR 31 58.651 -2.217 -2.356 240 HD1 TYR 31 HD1 TYR 31 56.092 -2.096 -5.118 241 HD2 TYR 31 HD2 TYR 31 60.158 -2.896 -4.028 242 HE1 TYR 31 HE1 TYR 31 56.449 -3.158 -7.308 243 HE2 TYR 31 HE2 TYR 31 60.564 -3.883 -6.252 244 HH TYR 31 HH TYR 31 59.674 -4.466 -8.238 245 H LEU 32 HN LEU 32 57.905 -4.262 -1.434 246 HA LEU 32 HA LEU 32 57.191 -6.133 -3.358 247 HB2 LEU 32 HB2 LEU 32 58.675 -6.343 -0.693 248 HB3 LEU 32 HB1 LEU 32 58.599 -7.692 -1.869 249 HG LEU 32 HG LEU 32 59.657 -4.880 -2.588 250 HD11 LEU 32 HD11 LEU 32 61.311 -7.321 -1.653 251 HD12 LEU 32 HD12 LEU 32 61.020 -5.818 -0.701 252 HD13 LEU 32 HD13 LEU 32 61.962 -5.741 -2.236 253 HD21 LEU 32 HD21 LEU 32 60.812 -6.059 -4.461 254 HD22 LEU 32 HD22 LEU 32 59.026 -6.256 -4.558 255 HD23 LEU 32 HD23 LEU 32 60.051 -7.617 -3.964 256 H LYS 33 HN LYS 33 55.868 -5.574 -0.145 257 HA LYS 33 HA LYS 33 54.643 -8.091 0.212 258 HB2 LYS 33 HB2 LYS 33 55.020 -6.448 2.089 259 HB3 LYS 33 HB1 LYS 33 53.866 -5.333 1.347 260 HG2 LYS 33 HG2 LYS 33 52.720 -8.068 1.846 261 HG3 LYS 33 HG1 LYS 33 53.360 -7.271 3.325 262 HD2 LYS 33 HD2 LYS 33 51.994 -5.292 2.901 263 HD3 LYS 33 HD1 LYS 33 51.462 -5.953 1.315 264 HE2 LYS 33 HE2 LYS 33 50.786 -7.114 4.108 265 HE3 LYS 33 HE1 LYS 33 49.680 -6.212 2.999 266 HZ1 LYS 33 HZ1 LYS 33 50.944 -8.828 2.414 267 HZ2 LYS 33 HZ2 LYS 33 49.901 -7.961 1.392 268 HZ3 LYS 33 HZ3 LYS 33 49.329 -8.564 2.873 269 H PHE 34 HN PHE 34 53.546 -4.938 -1.114 270 HA PHE 34 HA PHE 34 50.912 -5.906 -1.754 271 HB2 PHE 34 HB2 PHE 34 52.394 -3.228 -2.185 272 HB3 PHE 34 HB1 PHE 34 50.761 -3.528 -2.842 273 HD1 PHE 34 HD1 PHE 34 48.832 -3.311 -1.428 274 HD2 PHE 34 HD2 PHE 34 52.741 -3.512 0.332 275 HE1 PHE 34 HE1 PHE 34 47.888 -2.683 0.776 276 HE2 PHE 34 HE2 PHE 34 51.818 -2.947 2.510 277 HZ PHE 34 HZ PHE 34 49.387 -2.465 2.755 278 H GLY 35 HN GLY 35 52.982 -3.985 -3.917 279 HA2 GLY 35 HA2 GLY 35 54.220 -5.684 -5.439 280 HA3 GLY 35 HA1 GLY 35 52.542 -5.750 -6.136 281 H ASP 36 HN ASP 36 52.394 -4.447 -7.856 282 HA ASP 36 HA ASP 36 54.155 -2.311 -8.258 283 HB2 ASP 36 HB2 ASP 36 52.921 -1.908 -10.361 284 HB3 ASP 36 HB1 ASP 36 53.349 -3.636 -10.158 285 H LYS 37 HN LYS 37 51.651 -2.374 -6.162 286 HA LYS 37 HA LYS 37 50.156 -0.111 -6.498 287 HB2 LYS 37 HB2 LYS 37 49.758 -1.975 -4.858 288 HB3 LYS 37 HB1 LYS 37 51.146 -1.389 -3.919 289 HG2 LYS 37 HG2 LYS 37 49.039 -0.647 -2.905 290 HG3 LYS 37 HG1 LYS 37 50.003 0.761 -3.468 291 HD2 LYS 37 HD2 LYS 37 47.648 1.147 -3.886 292 HD3 LYS 37 HD1 LYS 37 48.526 1.023 -5.445 293 HE2 LYS 37 HE2 LYS 37 47.661 -1.350 -5.721 294 HE3 LYS 37 HE1 LYS 37 46.783 -1.192 -4.142 295 HZ1 LYS 37 HZ1 LYS 37 45.542 0.635 -5.089 296 HZ2 LYS 37 HZ2 LYS 37 45.369 -0.773 -6.022 297 HZ3 LYS 37 HZ3 LYS 37 46.373 0.485 -6.563 298 H LEU 38 HN LEU 38 53.402 -0.540 -4.987 299 HA LEU 38 HA LEU 38 53.513 2.191 -4.093 300 HB2 LEU 38 HB2 LEU 38 54.778 0.272 -2.902 301 HB3 LEU 38 HB1 LEU 38 55.766 0.102 -4.312 302 HG LEU 38 HG LEU 38 55.637 2.894 -3.178 303 HD11 LEU 38 HD11 LEU 38 57.035 0.663 -1.593 304 HD12 LEU 38 HD12 LEU 38 55.576 1.579 -1.070 305 HD13 LEU 38 HD13 LEU 38 57.151 2.433 -1.275 306 HD21 LEU 38 HD21 LEU 38 57.983 1.075 -4.011 307 HD22 LEU 38 HD22 LEU 38 58.110 2.821 -3.560 308 HD23 LEU 38 HD23 LEU 38 57.190 2.331 -5.034 309 H LEU 39 HN LEU 39 54.526 0.440 -7.019 310 HA LEU 39 HA LEU 39 56.288 2.397 -7.940 311 HB2 LEU 39 HB2 LEU 39 54.601 0.435 -9.576 312 HB3 LEU 39 HB1 LEU 39 56.023 1.355 -10.167 313 HG LEU 39 HG LEU 39 56.005 -0.796 -7.964 314 HD11 LEU 39 HD11 LEU 39 57.139 -0.834 -10.826 315 HD12 LEU 39 HD12 LEU 39 55.651 -1.683 -10.258 316 HD13 LEU 39 HD13 LEU 39 57.267 -2.166 -9.612 317 HD21 LEU 39 HD21 LEU 39 57.788 0.837 -7.424 318 HD22 LEU 39 HD22 LEU 39 58.398 0.775 -9.122 319 HD23 LEU 39 HD23 LEU 39 58.515 -0.677 -8.060 320 H GLU 40 HN GLU 40 52.782 1.851 -8.625 321 HA GLU 40 HA GLU 40 52.604 4.002 -10.437 322 HB2 GLU 40 HB2 GLU 40 50.131 3.704 -10.213 323 HB3 GLU 40 HB1 GLU 40 51.005 2.187 -10.649 324 HG2 GLU 40 HG2 GLU 40 50.832 1.420 -8.273 325 HG3 GLU 40 HG1 GLU 40 50.041 2.941 -7.815 326 H TYR 41 HN TYR 41 52.090 3.765 -6.902 327 HA TYR 41 HA TYR 41 50.669 6.247 -6.731 328 HB2 TYR 41 HB2 TYR 41 51.789 4.139 -4.804 329 HB3 TYR 41 HB1 TYR 41 51.449 5.728 -4.142 330 HD1 TYR 41 HD1 TYR 41 49.149 4.561 -6.891 331 HD2 TYR 41 HD2 TYR 41 49.831 4.906 -2.644 332 HE1 TYR 41 HE1 TYR 41 46.804 4.073 -6.479 333 HE2 TYR 41 HE2 TYR 41 47.465 4.370 -2.247 334 HH TYR 41 HH TYR 41 45.176 3.807 -4.938 335 H GLU 42 HN GLU 42 53.966 5.297 -6.941 336 HA GLU 42 HA GLU 42 55.023 7.666 -5.658 337 HB2 GLU 42 HB2 GLU 42 56.147 5.405 -5.685 338 HB3 GLU 42 HB1 GLU 42 56.518 5.642 -7.422 339 HG2 GLU 42 HG2 GLU 42 57.410 7.464 -5.066 340 HG3 GLU 42 HG1 GLU 42 58.396 6.126 -5.752 341 H LEU 43 HN LEU 43 54.494 6.389 -8.954 342 HA LEU 43 HA LEU 43 55.474 8.648 -10.331 343 HB2 LEU 43 HB2 LEU 43 53.601 6.331 -11.072 344 HB3 LEU 43 HB1 LEU 43 54.142 7.534 -12.281 345 HG LEU 43 HG LEU 43 56.052 5.769 -10.641 346 HD11 LEU 43 HD11 LEU 43 54.587 4.354 -12.063 347 HD12 LEU 43 HD12 LEU 43 56.284 4.359 -12.672 348 HD13 LEU 43 HD13 LEU 43 55.021 5.336 -13.514 349 HD21 LEU 43 HD21 LEU 43 56.550 7.493 -13.150 350 HD22 LEU 43 HD22 LEU 43 57.741 6.380 -12.377 351 HD23 LEU 43 HD23 LEU 43 57.155 7.827 -11.483 352 H LEU 44 HN LEU 44 52.475 7.954 -8.686 353 HA LEU 44 HA LEU 44 50.841 9.740 -10.183 354 HB2 LEU 44 HB2 LEU 44 49.874 7.748 -9.238 355 HB3 LEU 44 HB1 LEU 44 50.489 8.176 -7.616 356 HG LEU 44 HG LEU 44 48.897 9.960 -7.375 357 HD11 LEU 44 HD11 LEU 44 47.972 9.386 -10.273 358 HD12 LEU 44 HD12 LEU 44 48.794 10.884 -9.695 359 HD13 LEU 44 HD13 LEU 44 47.141 10.485 -9.109 360 HD21 LEU 44 HD21 LEU 44 48.144 7.662 -6.834 361 HD22 LEU 44 HD22 LEU 44 47.517 7.450 -8.512 362 HD23 LEU 44 HD23 LEU 44 46.766 8.672 -7.419 363 H GLY 45 HN GLY 45 51.526 9.739 -6.602 364 HA2 GLY 45 HA2 GLY 45 53.070 11.666 -6.096 365 HA3 GLY 45 HA1 GLY 45 51.694 12.659 -6.728 366 H LYS 46 HN LYS 46 51.150 9.612 -5.038 367 HA LYS 46 HA LYS 46 49.775 10.990 -2.890 368 HB2 LYS 46 HB2 LYS 46 50.105 8.062 -3.628 369 HB3 LYS 46 HB1 LYS 46 49.313 8.619 -2.107 370 HG2 LYS 46 HG2 LYS 46 47.735 10.022 -3.441 371 HG3 LYS 46 HG1 LYS 46 48.422 9.360 -4.965 372 HD2 LYS 46 HD2 LYS 46 47.637 7.107 -4.403 373 HD3 LYS 46 HD1 LYS 46 47.175 7.632 -2.741 374 HE2 LYS 46 HE2 LYS 46 45.458 9.184 -3.667 375 HE3 LYS 46 HE1 LYS 46 45.875 8.661 -5.348 376 HZ1 LYS 46 HZ1 LYS 46 43.961 7.505 -4.503 377 HZ2 LYS 46 HZ2 LYS 46 44.835 6.917 -3.171 378 HZ3 LYS 46 HZ3 LYS 46 45.241 6.415 -4.741 379 H ILE 47 HN ILE 47 52.469 8.745 -3.500 380 HA ILE 47 HA ILE 47 53.866 9.577 -1.046 381 HB ILE 47 HB ILE 47 55.161 7.455 -1.409 382 HG12 ILE 47 HG12 ILE 47 52.698 6.805 -3.155 383 HG13 ILE 47 HG11 ILE 47 54.337 7.139 -3.798 384 HG21 ILE 47 HG21 ILE 47 53.421 7.781 0.395 385 HG22 ILE 47 HG22 ILE 47 53.568 6.087 -0.207 386 HG23 ILE 47 HG23 ILE 47 52.172 7.103 -0.733 387 HD11 ILE 47 HD1 ILE 47 55.229 5.254 -2.591 388 HD12 ILE 47 HD2 ILE 47 53.938 4.708 -3.720 389 HD13 ILE 47 HD3 ILE 47 53.624 4.786 -1.941 390 H LYS 48 HN LYS 48 56.295 9.561 -1.485 391 HA LYS 48 HA LYS 48 56.999 9.737 -4.286 392 HB2 LYS 48 HB2 LYS 48 57.916 11.829 -2.193 393 HB3 LYS 48 HB1 LYS 48 58.393 11.822 -3.917 394 HG2 LYS 48 HG2 LYS 48 56.052 12.339 -4.591 395 HG3 LYS 48 HG1 LYS 48 55.541 12.357 -2.866 396 HD2 LYS 48 HD2 LYS 48 57.622 14.247 -4.121 397 HD3 LYS 48 HD1 LYS 48 55.890 14.636 -3.811 398 HE2 LYS 48 HE2 LYS 48 56.262 14.274 -1.331 399 HE3 LYS 48 HE1 LYS 48 58.017 13.961 -1.663 400 HZ1 LYS 48 HZ1 LYS 48 56.537 16.465 -2.279 401 HZ2 LYS 48 HZ2 LYS 48 58.179 16.167 -2.589 402 HZ3 LYS 48 HZ3 LYS 48 57.614 16.213 -0.989 403 H ARG 49 HN ARG 49 59.405 9.595 -4.518 404 HA ARG 49 HA ARG 49 60.846 8.792 -2.139 405 HB2 ARG 49 HB2 ARG 49 59.886 6.635 -2.907 406 HB3 ARG 49 HB1 ARG 49 60.618 6.861 -4.525 407 HG2 ARG 49 HG2 ARG 49 62.396 6.989 -2.029 408 HG3 ARG 49 HG1 ARG 49 61.737 5.410 -2.543 409 HD2 ARG 49 HD2 ARG 49 62.805 5.643 -4.799 410 HD3 ARG 49 HD1 ARG 49 63.471 7.258 -4.315 411 HE ARG 49 HE ARG 49 64.119 4.908 -2.571 412 HH11 ARG 49 HH11 ARG 49 66.351 4.269 -2.473 413 HH12 ARG 49 HH12 ARG 49 67.520 5.005 -3.517 414 HH21 ARG 49 HH21 ARG 49 65.206 7.155 -5.142 415 HH22 ARG 49 HH22 ARG 49 66.863 6.665 -5.046 416 H ILE 50 HN ILE 50 62.985 9.532 -2.384 417 HA ILE 50 HA ILE 50 64.010 10.043 -5.004 418 HB ILE 50 HB ILE 50 62.637 12.003 -4.830 419 HG12 ILE 50 HG12 ILE 50 65.558 12.827 -4.340 420 HG13 ILE 50 HG11 ILE 50 64.981 12.025 -5.843 421 HG21 ILE 50 HG21 ILE 50 62.399 12.093 -2.332 422 HG22 ILE 50 HG22 ILE 50 62.861 13.676 -3.040 423 HG23 ILE 50 HG23 ILE 50 64.100 12.683 -2.198 424 HD11 ILE 50 HD1 ILE 50 63.338 13.866 -6.220 425 HD12 ILE 50 HD2 ILE 50 65.037 14.475 -6.172 426 HD13 ILE 50 HD3 ILE 50 63.951 14.728 -4.755 427 H ASN 51 HN ASN 51 64.184 10.239 -1.450 428 HA ASN 51 HA ASN 51 66.966 10.786 -1.433 429 HB2 ASN 51 HB2 ASN 51 65.394 11.662 0.303 430 HB3 ASN 51 HB1 ASN 51 65.024 9.994 0.834 431 HD21 ASN 51 HD21 ASN 51 68.849 11.587 1.598 432 HD22 ASN 51 HD22 ASN 51 68.013 12.007 0.141 433 H HIS 52 HN HIS 52 65.493 8.162 0.510 434 HA HIS 52 HA HIS 52 67.142 6.163 -0.844 435 HB2 HIS 52 HB2 HIS 52 67.097 6.704 2.195 436 HB3 HIS 52 HB1 HIS 52 67.862 5.275 1.409 437 HD1 HIS 52 HD1 HIS 52 69.717 6.148 -0.566 438 HD2 HIS 52 HD2 HIS 52 68.944 8.679 2.693 439 HE1 HIS 52 HE1 HIS 52 71.653 7.773 -0.397 440 HE2 HIS 52 HE2 HIS 52 71.144 9.283 1.574 441 H ILE 53 HN ILE 53 64.519 7.251 1.262 442 HA ILE 53 HA ILE 53 63.130 4.687 0.942 443 HB ILE 53 HB ILE 53 62.115 5.028 3.154 444 HG12 ILE 53 HG12 ILE 53 64.402 7.035 3.683 445 HG13 ILE 53 HG11 ILE 53 62.722 7.538 3.286 446 HG21 ILE 53 HG21 ILE 53 63.948 3.397 2.700 447 HG22 ILE 53 HG22 ILE 53 64.006 4.034 4.380 448 HG23 ILE 53 HG23 ILE 53 65.174 4.641 3.150 449 HD11 ILE 53 HD1 ILE 53 61.864 6.161 5.186 450 HD12 ILE 53 HD2 ILE 53 62.920 7.535 5.711 451 HD13 ILE 53 HD3 ILE 53 63.561 5.846 5.720 452 H VAL 54 HN VAL 54 60.718 5.206 1.615 453 HA VAL 54 HA VAL 54 59.856 7.207 -0.207 454 HB VAL 54 HB VAL 54 58.816 4.943 0.108 455 HG11 VAL 54 HG11 VAL 54 57.554 6.158 2.656 456 HG12 VAL 54 HG12 VAL 54 58.870 4.924 2.651 457 HG13 VAL 54 HG13 VAL 54 57.257 4.531 1.954 458 HG21 VAL 54 HG21 VAL 54 56.939 7.362 0.344 459 HG22 VAL 54 HG22 VAL 54 56.478 5.703 -0.175 460 HG23 VAL 54 HG23 VAL 54 57.646 6.644 -1.162 461 H VAL 55 HN VAL 55 58.757 9.143 0.330 462 HA VAL 55 HA VAL 55 58.400 9.757 3.173 463 HB VAL 55 HB VAL 55 58.595 12.181 2.605 464 HG11 VAL 55 HG11 VAL 55 61.146 10.506 2.097 465 HG12 VAL 55 HG12 VAL 55 60.446 10.908 3.710 466 HG13 VAL 55 HG13 VAL 55 61.081 12.220 2.648 467 HG21 VAL 55 HG21 VAL 55 58.230 12.075 0.126 468 HG22 VAL 55 HG22 VAL 55 59.766 11.150 -0.081 469 HG23 VAL 55 HG23 VAL 55 59.803 12.849 0.506 470 H LEU 56 HN LEU 56 56.243 10.647 3.535 471 HA LEU 56 HA LEU 56 54.432 10.016 1.388 472 HB2 LEU 56 HB2 LEU 56 53.794 11.413 4.042 473 HB3 LEU 56 HB1 LEU 56 52.640 10.680 2.882 474 HG LEU 56 HG LEU 56 54.394 8.552 3.444 475 HD11 LEU 56 HD11 LEU 56 53.827 10.056 6.084 476 HD12 LEU 56 HD12 LEU 56 55.444 9.857 5.313 477 HD13 LEU 56 HD13 LEU 56 54.552 8.412 5.918 478 HD21 LEU 56 HD21 LEU 56 51.702 9.202 4.783 479 HD22 LEU 56 HD22 LEU 56 52.490 7.580 4.693 480 HD23 LEU 56 HD23 LEU 56 51.944 8.399 3.183 481 H ALA 57 HN ALA 57 52.755 11.749 0.766 482 HA ALA 57 HA ALA 57 54.041 14.168 -0.010 483 HB1 ALA 57 HB1 ALA 57 51.062 13.397 -0.013 484 HB2 ALA 57 HB2 ALA 57 52.201 13.280 -1.401 485 HB3 ALA 57 HB3 ALA 57 51.742 14.895 -0.755 486 H HIS 58 HN HIS 58 54.620 15.657 1.476 487 HA HIS 58 HA HIS 58 52.914 16.091 3.828 488 HB2 HIS 58 HB2 HIS 58 55.846 16.884 3.326 489 HB3 HIS 58 HB1 HIS 58 54.925 17.112 4.859 490 HD1 HIS 58 HD1 HIS 58 53.791 14.482 5.523 491 HD2 HIS 58 HD2 HIS 58 57.518 14.739 3.608 492 HE1 HIS 58 HE1 HIS 58 55.021 12.312 5.970 493 HE2 HIS 58 HE2 HIS 58 57.261 12.510 4.802 494 H HIS 59 HN HIS 59 51.795 17.022 1.582 495 HA HIS 59 HA HIS 59 51.975 19.869 1.827 496 HB2 HIS 59 HB2 HIS 59 52.213 20.168 -0.715 497 HB3 HIS 59 HB1 HIS 59 53.701 19.711 0.168 498 HD1 HIS 59 HD1 HIS 59 51.230 18.230 -2.286 499 HD2 HIS 59 HD2 HIS 59 54.878 17.263 -0.450 500 HE1 HIS 59 HE1 HIS 59 52.174 16.215 -3.500 501 HE2 HIS 59 HE2 HIS 59 54.368 15.663 -2.364 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 26.688 -21.011 -4.101 2 H2 MET 1 HT2 MET 1 25.971 -21.368 -2.604 3 H3 MET 1 HT3 MET 1 25.467 -22.188 -4.004 4 HA MET 1 HA MET 1 26.851 -23.557 -2.640 5 HB2 MET 1 HB2 MET 1 28.162 -22.673 -5.292 6 HB3 MET 1 HB1 MET 1 28.602 -24.166 -4.385 7 HG2 MET 1 HG2 MET 1 26.258 -24.995 -4.621 8 HG3 MET 1 HG1 MET 1 25.830 -23.529 -5.559 9 HE1 MET 1 HE1 MET 1 25.665 -26.358 -8.208 10 HE2 MET 1 HE2 MET 1 24.835 -24.985 -7.398 11 HE3 MET 1 HE3 MET 1 25.262 -26.458 -6.460 12 H LEU 2 HN LEU 2 29.385 -21.592 -4.257 13 HA LEU 2 HA LEU 2 30.872 -21.551 -1.772 14 HB2 LEU 2 HB2 LEU 2 31.543 -20.853 -4.673 15 HB3 LEU 2 HB1 LEU 2 32.599 -20.326 -3.323 16 HG LEU 2 HG LEU 2 32.868 -22.658 -2.556 17 HD11 LEU 2 HD11 LEU 2 32.429 -24.559 -4.161 18 HD12 LEU 2 HD12 LEU 2 31.454 -23.444 -5.190 19 HD13 LEU 2 HD13 LEU 2 30.919 -23.838 -3.511 20 HD21 LEU 2 HD21 LEU 2 33.767 -22.103 -5.455 21 HD22 LEU 2 HD22 LEU 2 34.527 -23.272 -4.310 22 HD23 LEU 2 HD23 LEU 2 34.568 -21.506 -3.952 23 H LYS 3 HN LYS 3 31.780 -19.628 -0.903 24 HA LYS 3 HA LYS 3 30.710 -17.077 -1.792 25 HB2 LYS 3 HB2 LYS 3 29.258 -18.177 0.131 26 HB3 LYS 3 HB1 LYS 3 30.637 -17.707 1.167 27 HG2 LYS 3 HG2 LYS 3 30.314 -15.289 0.251 28 HG3 LYS 3 HG1 LYS 3 28.877 -15.901 -0.637 29 HD2 LYS 3 HD2 LYS 3 27.886 -16.633 1.530 30 HD3 LYS 3 HD1 LYS 3 29.348 -16.009 2.390 31 HE2 LYS 3 HE2 LYS 3 28.823 -13.670 1.608 32 HE3 LYS 3 HE1 LYS 3 27.345 -14.287 0.761 33 HZ1 LYS 3 HZ1 LYS 3 27.891 -14.443 3.680 34 HZ2 LYS 3 HZ2 LYS 3 26.504 -15.021 2.888 35 HZ3 LYS 3 HZ3 LYS 3 26.842 -13.357 2.902 36 H ASP 4 HN ASP 4 31.957 -15.442 -0.066 37 HA ASP 4 HA ASP 4 34.709 -16.432 0.304 38 HB2 ASP 4 HB2 ASP 4 33.740 -13.587 -0.416 39 HB3 ASP 4 HB1 ASP 4 35.420 -13.990 0.106 40 H TYR 5 HN TYR 5 35.533 -16.086 2.342 41 HA TYR 5 HA TYR 5 33.929 -14.531 4.243 42 HB2 TYR 5 HB2 TYR 5 35.169 -17.262 4.815 43 HB3 TYR 5 HB1 TYR 5 34.308 -16.218 6.012 44 HD1 TYR 5 HD1 TYR 5 33.953 -18.834 3.563 45 HD2 TYR 5 HD2 TYR 5 31.844 -15.616 5.481 46 HE1 TYR 5 HE1 TYR 5 31.806 -19.895 2.975 47 HE2 TYR 5 HE2 TYR 5 29.695 -16.677 4.905 48 HH TYR 5 HH TYR 5 29.560 -19.779 3.093 49 H HIS 6 HN HIS 6 36.132 -15.732 6.098 50 HA HIS 6 HA HIS 6 38.166 -13.747 5.542 51 HB2 HIS 6 HB2 HIS 6 37.659 -15.683 7.836 52 HB3 HIS 6 HB1 HIS 6 39.049 -14.553 7.788 53 HD1 HIS 6 HD1 HIS 6 38.104 -11.902 7.333 54 HD2 HIS 6 HD2 HIS 6 35.497 -14.628 9.175 55 HE1 HIS 6 HE1 HIS 6 36.312 -10.553 8.512 56 HE2 HIS 6 HE2 HIS 6 34.760 -12.232 9.604 57 H LEU 7 HN LEU 7 37.583 -16.743 4.303 58 HA LEU 7 HA LEU 7 39.904 -18.144 5.038 59 HB2 LEU 7 HB2 LEU 7 38.056 -18.555 2.592 60 HB3 LEU 7 HB1 LEU 7 39.231 -19.757 3.230 61 HG LEU 7 HG LEU 7 36.741 -18.679 4.688 62 HD11 LEU 7 HD11 LEU 7 36.157 -20.095 2.736 63 HD12 LEU 7 HD12 LEU 7 35.753 -20.917 4.288 64 HD13 LEU 7 HD13 LEU 7 37.216 -21.417 3.357 65 HD21 LEU 7 HD21 LEU 7 38.464 -19.315 6.346 66 HD22 LEU 7 HD22 LEU 7 38.691 -20.913 5.534 67 HD23 LEU 7 HD23 LEU 7 37.125 -20.515 6.339 68 H LYS 8 HN LYS 8 38.843 -16.581 1.964 69 HA LYS 8 HA LYS 8 41.561 -16.440 0.966 70 HB2 LYS 8 HB2 LYS 8 39.547 -16.930 -0.526 71 HB3 LYS 8 HB1 LYS 8 38.911 -15.305 -0.124 72 HG2 LYS 8 HG2 LYS 8 40.984 -14.296 -1.212 73 HG3 LYS 8 HG1 LYS 8 41.510 -15.954 -1.663 74 HD2 LYS 8 HD2 LYS 8 39.447 -16.228 -3.036 75 HD3 LYS 8 HD1 LYS 8 38.841 -14.630 -2.467 76 HE2 LYS 8 HE2 LYS 8 40.799 -13.484 -3.573 77 HE3 LYS 8 HE1 LYS 8 41.376 -15.087 -4.190 78 HZ1 LYS 8 HZ1 LYS 8 39.297 -15.311 -5.376 79 HZ2 LYS 8 HZ2 LYS 8 40.108 -13.887 -5.822 80 HZ3 LYS 8 HZ3 LYS 8 38.759 -13.810 -4.793 81 H GLU 9 HN GLU 9 42.487 -14.235 0.496 82 HA GLU 9 HA GLU 9 41.865 -12.369 2.614 83 HB2 GLU 9 HB2 GLU 9 43.884 -11.155 1.849 84 HB3 GLU 9 HB1 GLU 9 44.227 -12.872 2.216 85 HG2 GLU 9 HG2 GLU 9 44.166 -13.462 -0.204 86 HG3 GLU 9 HG1 GLU 9 43.783 -11.754 -0.632 87 H MET 10 HN MET 10 42.350 -9.922 1.430 88 HA MET 10 HA MET 10 40.293 -9.739 -0.681 89 HB2 MET 10 HB2 MET 10 41.030 -7.716 1.475 90 HB3 MET 10 HB1 MET 10 40.029 -7.365 0.023 91 HG2 MET 10 HG2 MET 10 38.470 -7.705 1.727 92 HG3 MET 10 HG1 MET 10 38.434 -9.203 0.752 93 HE1 MET 10 HE1 MET 10 37.197 -10.637 2.375 94 HE2 MET 10 HE2 MET 10 36.932 -9.149 3.350 95 HE3 MET 10 HE3 MET 10 37.453 -10.671 4.153 96 HA PRO 11 HA PRO 11 44.358 -8.497 -2.370 97 HB2 PRO 11 HB2 PRO 11 43.984 -9.322 -5.017 98 HB3 PRO 11 HB1 PRO 11 44.379 -10.468 -3.682 99 HG2 PRO 11 HG1 PRO 11 41.592 -9.782 -4.770 100 HG3 PRO 11 HG2 PRO 11 42.331 -11.425 -4.549 101 HD2 PRO 11 HD1 PRO 11 40.684 -10.351 -2.628 102 HD3 PRO 11 HD2 PRO 11 42.182 -11.250 -2.138 103 H GLU 12 HN GLU 12 41.261 -7.254 -2.616 104 HA GLU 12 HA GLU 12 41.898 -5.333 -4.734 105 HB2 GLU 12 HB2 GLU 12 39.224 -6.050 -3.403 106 HB3 GLU 12 HB1 GLU 12 39.452 -4.900 -4.775 107 HG2 GLU 12 HG2 GLU 12 40.276 -6.779 -6.220 108 HG3 GLU 12 HG1 GLU 12 40.057 -7.934 -4.853 109 H MET 13 HN MET 13 43.060 -5.223 -1.974 110 HA MET 13 HA MET 13 41.715 -2.847 -0.892 111 HB2 MET 13 HB2 MET 13 43.963 -4.583 0.257 112 HB3 MET 13 HB1 MET 13 43.351 -3.067 1.011 113 HG2 MET 13 HG2 MET 13 41.042 -4.084 1.081 114 HG3 MET 13 HG1 MET 13 41.744 -5.639 0.549 115 HE1 MET 13 HE1 MET 13 43.293 -7.200 2.042 116 HE2 MET 13 HE2 MET 13 44.070 -6.671 3.567 117 HE3 MET 13 HE3 MET 13 44.516 -5.882 2.020 118 H GLU 14 HN GLU 14 43.114 -0.997 -0.297 119 HA GLU 14 HA GLU 14 45.629 -0.691 -1.614 120 HB2 GLU 14 HB2 GLU 14 44.948 1.088 -3.172 121 HB3 GLU 14 HB1 GLU 14 43.990 -0.393 -3.525 122 HG2 GLU 14 HG2 GLU 14 42.020 0.539 -2.304 123 HG3 GLU 14 HG1 GLU 14 42.935 2.040 -1.927 124 H ASP 15 HN ASP 15 43.022 0.194 0.431 125 HA ASP 15 HA ASP 15 44.173 2.722 1.201 126 HB2 ASP 15 HB2 ASP 15 42.354 3.031 2.689 127 HB3 ASP 15 HB1 ASP 15 41.714 2.485 1.111 128 H GLU 16 HN GLU 16 44.466 -0.609 2.003 129 HA GLU 16 HA GLU 16 45.587 -0.420 4.584 130 HB2 GLU 16 HB2 GLU 16 44.733 -2.553 3.547 131 HB3 GLU 16 HB1 GLU 16 46.025 -2.450 2.308 132 HG2 GLU 16 HG2 GLU 16 47.765 -2.673 4.175 133 HG3 GLU 16 HG1 GLU 16 46.415 -2.824 5.359 134 H PHE 17 HN PHE 17 46.751 -0.028 1.234 135 HA PHE 17 HA PHE 17 49.497 0.042 1.819 136 HB2 PHE 17 HB2 PHE 17 48.621 -0.472 -0.468 137 HB3 PHE 17 HB1 PHE 17 47.972 1.194 -0.588 138 HD1 PHE 17 HD1 PHE 17 51.117 -0.812 -0.388 139 HD2 PHE 17 HD2 PHE 17 49.368 3.039 -1.078 140 HE1 PHE 17 HE1 PHE 17 53.274 0.003 -1.299 141 HE2 PHE 17 HE2 PHE 17 51.535 3.866 -1.941 142 HZ PHE 17 HZ PHE 17 53.512 2.365 -1.968 143 H LEU 18 HN LEU 18 46.872 2.488 1.667 144 HA LEU 18 HA LEU 18 48.557 4.730 1.724 145 HB2 LEU 18 HB2 LEU 18 45.625 4.125 2.040 146 HB3 LEU 18 HB1 LEU 18 46.135 5.703 2.675 147 HG LEU 18 HG LEU 18 46.864 4.754 -0.152 148 HD11 LEU 18 HD11 LEU 18 44.385 4.733 0.044 149 HD12 LEU 18 HD12 LEU 18 44.941 6.081 -1.015 150 HD13 LEU 18 HD13 LEU 18 44.403 6.424 0.673 151 HD21 LEU 18 HD21 LEU 18 46.782 7.561 1.132 152 HD22 LEU 18 HD22 LEU 18 47.141 7.213 -0.597 153 HD23 LEU 18 HD23 LEU 18 48.259 6.627 0.683 154 H GLU 19 HN GLU 19 47.210 2.682 4.309 155 HA GLU 19 HA GLU 19 48.115 4.590 6.344 156 HB2 GLU 19 HB2 GLU 19 46.609 1.950 6.593 157 HB3 GLU 19 HB1 GLU 19 47.054 3.037 7.957 158 HG2 GLU 19 HG2 GLU 19 45.153 3.719 5.616 159 HG3 GLU 19 HG1 GLU 19 44.718 3.375 7.328 160 H TYR 20 HN TYR 20 49.419 2.058 4.486 161 HA TYR 20 HA TYR 20 51.071 0.851 6.480 162 HB2 TYR 20 HB2 TYR 20 50.545 0.413 3.684 163 HB3 TYR 20 HB1 TYR 20 52.144 0.950 3.602 164 HD1 TYR 20 HD1 TYR 20 50.038 -1.696 5.166 165 HD2 TYR 20 HD2 TYR 20 53.979 -0.205 4.435 166 HE1 TYR 20 HE1 TYR 20 50.971 -3.905 5.795 167 HE2 TYR 20 HE2 TYR 20 54.947 -2.418 5.047 168 HH TYR 20 HH TYR 20 52.832 -5.147 6.059 169 H CYS 21 HN CYS 21 51.189 3.362 4.026 170 HA CYS 21 HA CYS 21 53.809 3.311 3.794 171 HB2 CYS 21 HB2 CYS 21 51.834 5.494 2.934 172 HB3 CYS 21 HB1 CYS 21 53.575 5.653 2.552 173 HG CYS 21 HG1 CYS 21 52.376 4.825 0.467 174 H ALA 22 HN ALA 22 52.040 4.850 6.237 175 HA ALA 22 HA ALA 22 53.537 7.090 6.947 176 HB1 ALA 22 HB1 ALA 22 52.283 6.858 9.110 177 HB2 ALA 22 HB2 ALA 22 51.794 5.181 8.632 178 HB3 ALA 22 HB3 ALA 22 51.188 6.588 7.697 179 H LYS 23 HN LYS 23 54.223 3.723 7.119 180 HA LYS 23 HA LYS 23 56.468 4.037 8.936 181 HB2 LYS 23 HB2 LYS 23 55.137 1.866 9.016 182 HB3 LYS 23 HB1 LYS 23 55.509 1.613 7.288 183 HG2 LYS 23 HG2 LYS 23 58.055 1.761 8.058 184 HG3 LYS 23 HG1 LYS 23 57.397 1.598 9.717 185 HD2 LYS 23 HD2 LYS 23 58.088 -0.579 8.983 186 HD3 LYS 23 HD1 LYS 23 56.288 -0.589 8.963 187 HE2 LYS 23 HE2 LYS 23 56.318 -0.292 6.455 188 HE3 LYS 23 HE1 LYS 23 58.124 -0.181 6.489 189 HZ1 LYS 23 HZ1 LYS 23 57.356 -2.352 5.872 190 HZ2 LYS 23 HZ2 LYS 23 56.502 -2.524 7.331 191 HZ3 LYS 23 HZ3 LYS 23 58.197 -2.416 7.345 192 H ASN 24 HN ASN 24 57.311 5.693 7.622 193 HA ASN 24 HA ASN 24 57.917 5.369 4.935 194 HB2 ASN 24 HB2 ASN 24 59.187 7.340 6.904 195 HB3 ASN 24 HB1 ASN 24 59.367 7.391 5.119 196 HD21 ASN 24 HD21 ASN 24 55.974 8.496 4.491 197 HD22 ASN 24 HD22 ASN 24 57.292 7.595 3.820 198 HA PRO 25 HA PRO 25 62.346 3.974 6.253 199 HB2 PRO 25 HB2 PRO 25 61.429 2.393 8.729 200 HB3 PRO 25 HB1 PRO 25 63.045 3.148 8.434 201 HG2 PRO 25 HG1 PRO 25 61.192 4.349 10.093 202 HG3 PRO 25 HG2 PRO 25 62.257 5.323 8.996 203 HD2 PRO 25 HD1 PRO 25 59.292 4.664 8.599 204 HD3 PRO 25 HD2 PRO 25 60.273 6.119 8.132 205 H SER 26 HN SER 26 63.020 1.987 5.301 206 HA SER 26 HA SER 26 62.827 0.112 4.254 207 HB2 SER 26 HB2 SER 26 61.089 -0.659 6.653 208 HB3 SER 26 HB1 SER 26 61.653 -1.846 5.395 209 HG SER 26 HG1 SER 26 63.697 -1.495 5.999 210 H TYR 27 HN TYR 27 61.705 1.698 2.802 211 HA TYR 27 HA TYR 27 58.922 1.544 2.444 212 HB2 TYR 27 HB2 TYR 27 59.198 3.019 0.659 213 HB3 TYR 27 HB1 TYR 27 60.492 3.513 1.805 214 HD1 TYR 27 HD1 TYR 27 59.862 3.499 -1.468 215 HD2 TYR 27 HD2 TYR 27 62.767 1.692 1.141 216 HE1 TYR 27 HE1 TYR 27 61.323 3.161 -3.363 217 HE2 TYR 27 HE2 TYR 27 64.238 1.289 -0.786 218 HH TYR 27 HH TYR 27 64.524 1.510 -3.015 219 H GLU 28 HN GLU 28 61.635 -0.211 1.475 220 HA GLU 28 HA GLU 28 60.912 -1.484 -0.867 221 HB2 GLU 28 HB2 GLU 28 62.715 -3.200 0.082 222 HB3 GLU 28 HB1 GLU 28 63.195 -1.542 -0.398 223 HG2 GLU 28 HG2 GLU 28 63.211 -0.736 1.918 224 HG3 GLU 28 HG1 GLU 28 62.566 -2.293 2.538 225 H GLU 29 HN GLU 29 60.231 -2.234 2.593 226 HA GLU 29 HA GLU 29 59.151 -4.802 1.985 227 HB2 GLU 29 HB2 GLU 29 58.867 -2.997 4.441 228 HB3 GLU 29 HB1 GLU 29 58.224 -4.678 4.326 229 HG2 GLU 29 HG2 GLU 29 60.530 -5.558 3.926 230 HG3 GLU 29 HG1 GLU 29 61.207 -3.899 4.076 231 H ALA 30 HN ALA 30 57.896 -1.458 2.094 232 HA ALA 30 HA ALA 30 55.156 -2.289 2.103 233 HB1 ALA 30 HB1 ALA 30 54.650 0.123 1.753 234 HB2 ALA 30 HB2 ALA 30 56.396 0.453 1.436 235 HB3 ALA 30 HB3 ALA 30 55.863 -0.077 3.068 236 H TYR 31 HN TYR 31 57.655 -1.949 -0.327 237 HA TYR 31 HA TYR 31 55.788 -1.659 -2.531 238 HB2 TYR 31 HB2 TYR 31 57.990 -0.586 -2.828 239 HB3 TYR 31 HB1 TYR 31 58.801 -1.979 -2.157 240 HD1 TYR 31 HD1 TYR 31 60.358 -2.483 -3.852 241 HD2 TYR 31 HD2 TYR 31 56.241 -1.953 -4.915 242 HE1 TYR 31 HE1 TYR 31 60.828 -3.375 -6.103 243 HE2 TYR 31 HE2 TYR 31 56.669 -2.919 -7.138 244 HH TYR 31 HH TYR 31 59.978 -3.967 -8.104 245 H LEU 32 HN LEU 32 58.161 -4.091 -1.346 246 HA LEU 32 HA LEU 32 57.519 -5.916 -3.326 247 HB2 LEU 32 HB2 LEU 32 59.002 -6.183 -0.663 248 HB3 LEU 32 HB1 LEU 32 58.997 -7.469 -1.908 249 HG LEU 32 HG LEU 32 59.937 -4.579 -2.467 250 HD11 LEU 32 HD11 LEU 32 62.272 -5.352 -2.121 251 HD12 LEU 32 HD12 LEU 32 61.689 -6.990 -1.635 252 HD13 LEU 32 HD13 LEU 32 61.315 -5.557 -0.607 253 HD21 LEU 32 HD21 LEU 32 60.470 -7.222 -3.974 254 HD22 LEU 32 HD22 LEU 32 61.161 -5.607 -4.382 255 HD23 LEU 32 HD23 LEU 32 59.388 -5.882 -4.511 256 H LYS 33 HN LYS 33 56.191 -5.533 -0.086 257 HA LYS 33 HA LYS 33 55.022 -8.071 0.209 258 HB2 LYS 33 HB2 LYS 33 55.174 -6.348 2.109 259 HB3 LYS 33 HB1 LYS 33 54.023 -5.341 1.227 260 HG2 LYS 33 HG2 LYS 33 52.753 -7.926 1.512 261 HG3 LYS 33 HG1 LYS 33 53.613 -7.610 3.053 262 HD2 LYS 33 HD2 LYS 33 52.525 -5.313 3.130 263 HD3 LYS 33 HD1 LYS 33 51.662 -5.717 1.602 264 HE2 LYS 33 HE2 LYS 33 50.197 -5.972 3.565 265 HE3 LYS 33 HE1 LYS 33 50.445 -7.586 2.774 266 HZ1 LYS 33 HZ1 LYS 33 51.843 -6.563 5.194 267 HZ2 LYS 33 HZ2 LYS 33 52.095 -8.073 4.458 268 HZ3 LYS 33 HZ3 LYS 33 50.590 -7.709 5.157 269 H PHE 34 HN PHE 34 53.746 -4.930 -0.999 270 HA PHE 34 HA PHE 34 51.205 -5.978 -1.743 271 HB2 PHE 34 HB2 PHE 34 52.614 -3.260 -2.176 272 HB3 PHE 34 HB1 PHE 34 50.969 -3.607 -2.776 273 HD1 PHE 34 HD1 PHE 34 53.047 -3.456 0.316 274 HD2 PHE 34 HD2 PHE 34 49.079 -3.458 -1.317 275 HE1 PHE 34 HE1 PHE 34 52.178 -2.698 2.478 276 HE2 PHE 34 HE2 PHE 34 48.188 -2.723 0.873 277 HZ PHE 34 HZ PHE 34 49.747 -2.271 2.760 278 H GLY 35 HN GLY 35 53.291 -3.988 -3.854 279 HA2 GLY 35 HA2 GLY 35 54.532 -5.616 -5.423 280 HA3 GLY 35 HA1 GLY 35 52.855 -5.710 -6.116 281 H ASP 36 HN ASP 36 52.706 -4.397 -7.834 282 HA ASP 36 HA ASP 36 54.419 -2.201 -8.189 283 HB2 ASP 36 HB2 ASP 36 51.890 -2.952 -9.755 284 HB3 ASP 36 HB1 ASP 36 53.197 -1.842 -10.319 285 H LYS 37 HN LYS 37 51.909 -2.368 -6.114 286 HA LYS 37 HA LYS 37 50.303 -0.181 -6.473 287 HB2 LYS 37 HB2 LYS 37 49.966 -2.081 -4.867 288 HB3 LYS 37 HB1 LYS 37 51.313 -1.450 -3.898 289 HG2 LYS 37 HG2 LYS 37 49.172 -0.819 -2.897 290 HG3 LYS 37 HG1 LYS 37 50.067 0.642 -3.438 291 HD2 LYS 37 HD2 LYS 37 47.703 0.915 -3.858 292 HD3 LYS 37 HD1 LYS 37 48.589 0.854 -5.419 293 HE2 LYS 37 HE2 LYS 37 47.833 -1.551 -5.729 294 HE3 LYS 37 HE1 LYS 37 46.951 -1.458 -4.148 295 HZ1 LYS 37 HZ1 LYS 37 45.625 0.324 -5.064 296 HZ2 LYS 37 HZ2 LYS 37 45.516 -1.076 -6.019 297 HZ3 LYS 37 HZ3 LYS 37 46.459 0.236 -6.542 298 H LEU 38 HN LEU 38 53.554 -0.477 -4.944 299 HA LEU 38 HA LEU 38 53.523 2.249 -4.018 300 HB2 LEU 38 HB2 LEU 38 54.825 0.341 -2.813 301 HB3 LEU 38 HB1 LEU 38 55.867 0.249 -4.186 302 HG LEU 38 HG LEU 38 55.579 3.004 -2.991 303 HD11 LEU 38 HD11 LEU 38 55.479 1.641 -0.921 304 HD12 LEU 38 HD12 LEU 38 57.038 2.537 -1.037 305 HD13 LEU 38 HD13 LEU 38 56.983 0.776 -1.400 306 HD21 LEU 38 HD21 LEU 38 57.223 2.551 -4.797 307 HD22 LEU 38 HD22 LEU 38 58.028 1.302 -3.775 308 HD23 LEU 38 HD23 LEU 38 58.066 3.039 -3.278 309 H LEU 39 HN LEU 39 54.593 0.587 -6.952 310 HA LEU 39 HA LEU 39 56.295 2.648 -7.819 311 HB2 LEU 39 HB2 LEU 39 54.759 0.575 -9.472 312 HB3 LEU 39 HB1 LEU 39 56.117 1.588 -10.053 313 HG LEU 39 HG LEU 39 56.210 -0.582 -7.873 314 HD11 LEU 39 HD11 LEU 39 57.461 -0.472 -10.686 315 HD12 LEU 39 HD12 LEU 39 55.995 -1.412 -10.217 316 HD13 LEU 39 HD13 LEU 39 57.601 -1.831 -9.504 317 HD21 LEU 39 HD21 LEU 39 58.706 -0.282 -7.881 318 HD22 LEU 39 HD22 LEU 39 57.851 1.159 -7.235 319 HD23 LEU 39 HD23 LEU 39 58.519 1.185 -8.913 320 H GLU 40 HN GLU 40 52.833 1.895 -8.503 321 HA GLU 40 HA GLU 40 52.549 4.025 -10.343 322 HB2 GLU 40 HB2 GLU 40 50.103 3.567 -10.171 323 HB3 GLU 40 HB1 GLU 40 51.083 2.107 -10.576 324 HG2 GLU 40 HG2 GLU 40 50.913 1.373 -8.173 325 HG3 GLU 40 HG1 GLU 40 49.969 2.825 -7.788 326 H TYR 41 HN TYR 41 51.996 3.760 -6.819 327 HA TYR 41 HA TYR 41 50.468 6.178 -6.650 328 HB2 TYR 41 HB2 TYR 41 51.671 4.128 -4.719 329 HB3 TYR 41 HB1 TYR 41 51.295 5.706 -4.056 330 HD1 TYR 41 HD1 TYR 41 49.641 4.949 -2.543 331 HD2 TYR 41 HD2 TYR 41 49.053 4.336 -6.776 332 HE1 TYR 41 HE1 TYR 41 47.321 4.273 -2.147 333 HE2 TYR 41 HE2 TYR 41 46.742 3.700 -6.364 334 HH TYR 41 HH TYR 41 45.116 3.377 -4.827 335 H GLU 42 HN GLU 42 53.801 5.344 -6.848 336 HA GLU 42 HA GLU 42 54.837 7.745 -5.638 337 HB2 GLU 42 HB2 GLU 42 56.098 5.607 -5.662 338 HB3 GLU 42 HB1 GLU 42 56.173 5.667 -7.457 339 HG2 GLU 42 HG2 GLU 42 57.528 7.828 -7.261 340 HG3 GLU 42 HG1 GLU 42 57.478 7.645 -5.466 341 H LEU 43 HN LEU 43 54.207 6.485 -8.924 342 HA LEU 43 HA LEU 43 55.111 8.797 -10.294 343 HB2 LEU 43 HB2 LEU 43 53.333 6.408 -11.038 344 HB3 LEU 43 HB1 LEU 43 53.800 7.647 -12.239 345 HG LEU 43 HG LEU 43 55.818 5.959 -10.648 346 HD11 LEU 43 HD11 LEU 43 56.075 4.570 -12.689 347 HD12 LEU 43 HD12 LEU 43 54.750 5.489 -13.501 348 HD13 LEU 43 HD13 LEU 43 54.393 4.483 -12.046 349 HD21 LEU 43 HD21 LEU 43 56.802 8.073 -11.505 350 HD22 LEU 43 HD22 LEU 43 56.185 7.710 -13.161 351 HD23 LEU 43 HD23 LEU 43 57.442 6.657 -12.411 352 H LEU 44 HN LEU 44 52.189 7.961 -8.589 353 HA LEU 44 HA LEU 44 50.429 9.631 -10.066 354 HB2 LEU 44 HB2 LEU 44 49.621 7.597 -9.058 355 HB3 LEU 44 HB1 LEU 44 50.200 8.123 -7.452 356 HG LEU 44 HG LEU 44 48.482 9.785 -7.265 357 HD11 LEU 44 HD11 LEU 44 46.707 10.151 -9.022 358 HD12 LEU 44 HD12 LEU 44 47.625 9.093 -10.159 359 HD13 LEU 44 HD13 LEU 44 48.332 10.658 -9.602 360 HD21 LEU 44 HD21 LEU 44 47.880 7.455 -6.683 361 HD22 LEU 44 HD22 LEU 44 47.300 7.159 -8.364 362 HD23 LEU 44 HD23 LEU 44 46.443 8.348 -7.315 363 H GLY 45 HN GLY 45 51.172 9.774 -6.483 364 HA2 GLY 45 HA2 GLY 45 52.537 11.946 -6.198 365 HA3 GLY 45 HA1 GLY 45 50.945 12.667 -6.671 366 H LYS 46 HN LYS 46 50.567 9.683 -5.036 367 HA LYS 46 HA LYS 46 49.450 10.942 -2.736 368 HB2 LYS 46 HB2 LYS 46 49.923 8.043 -3.515 369 HB3 LYS 46 HB1 LYS 46 49.148 8.554 -1.970 370 HG2 LYS 46 HG2 LYS 46 47.438 9.816 -3.233 371 HG3 LYS 46 HG1 LYS 46 48.120 9.260 -4.801 372 HD2 LYS 46 HD2 LYS 46 47.378 7.019 -4.465 373 HD3 LYS 46 HD1 LYS 46 47.373 7.203 -2.683 374 HE2 LYS 46 HE2 LYS 46 45.044 7.122 -3.393 375 HE3 LYS 46 HE1 LYS 46 45.455 8.805 -2.830 376 HZ1 LYS 46 HZ1 LYS 46 44.149 8.802 -4.840 377 HZ2 LYS 46 HZ2 LYS 46 45.323 7.885 -5.656 378 HZ3 LYS 46 HZ3 LYS 46 45.692 9.454 -5.121 379 H ILE 47 HN ILE 47 52.199 8.777 -3.463 380 HA ILE 47 HA ILE 47 53.677 9.689 -1.082 381 HB ILE 47 HB ILE 47 54.993 7.596 -1.391 382 HG12 ILE 47 HG12 ILE 47 52.573 6.877 -3.179 383 HG13 ILE 47 HG11 ILE 47 54.237 7.180 -3.769 384 HG21 ILE 47 HG21 ILE 47 52.006 7.180 -0.732 385 HG22 ILE 47 HG22 ILE 47 53.224 7.931 0.381 386 HG23 ILE 47 HG23 ILE 47 53.424 6.222 -0.158 387 HD11 ILE 47 HD1 ILE 47 55.072 5.318 -2.493 388 HD12 ILE 47 HD2 ILE 47 53.805 4.757 -3.640 389 HD13 ILE 47 HD3 ILE 47 53.443 4.886 -1.875 390 H LYS 48 HN LYS 48 56.078 9.729 -1.608 391 HA LYS 48 HA LYS 48 56.702 9.689 -4.437 392 HB2 LYS 48 HB2 LYS 48 57.678 11.929 -2.541 393 HB3 LYS 48 HB1 LYS 48 58.218 11.707 -4.240 394 HG2 LYS 48 HG2 LYS 48 55.904 12.170 -5.043 395 HG3 LYS 48 HG1 LYS 48 55.362 12.448 -3.355 396 HD2 LYS 48 HD2 LYS 48 57.505 14.068 -4.870 397 HD3 LYS 48 HD1 LYS 48 55.802 14.569 -4.597 398 HE2 LYS 48 HE2 LYS 48 57.944 14.154 -2.393 399 HE3 LYS 48 HE1 LYS 48 57.318 15.732 -3.011 400 HZ1 LYS 48 HZ1 LYS 48 56.283 15.088 -0.961 401 HZ2 LYS 48 HZ2 LYS 48 55.719 13.636 -1.640 402 HZ3 LYS 48 HZ3 LYS 48 55.139 15.125 -2.216 403 H ARG 49 HN ARG 49 59.324 9.861 -4.459 404 HA ARG 49 HA ARG 49 60.614 8.867 -2.125 405 HB2 ARG 49 HB2 ARG 49 59.603 6.743 -3.028 406 HB3 ARG 49 HB1 ARG 49 60.380 7.038 -4.602 407 HG2 ARG 49 HG2 ARG 49 61.983 6.728 -1.969 408 HG3 ARG 49 HG1 ARG 49 61.360 5.331 -2.889 409 HD2 ARG 49 HD2 ARG 49 63.465 7.354 -3.863 410 HD3 ARG 49 HD1 ARG 49 63.703 5.613 -3.455 411 HE ARG 49 HE ARG 49 61.842 5.329 -5.375 412 HH11 ARG 49 HH11 ARG 49 62.024 5.433 -7.682 413 HH12 ARG 49 HH12 ARG 49 63.260 6.393 -8.424 414 HH21 ARG 49 HH21 ARG 49 64.641 7.569 -5.367 415 HH22 ARG 49 HH22 ARG 49 64.760 7.623 -7.093 416 H ILE 50 HN ILE 50 62.842 9.505 -2.375 417 HA ILE 50 HA ILE 50 63.724 10.134 -5.044 418 HB ILE 50 HB ILE 50 62.616 12.209 -4.496 419 HG12 ILE 50 HG12 ILE 50 64.498 13.821 -4.643 420 HG13 ILE 50 HG11 ILE 50 65.675 12.520 -4.288 421 HG21 ILE 50 HG21 ILE 50 62.590 11.991 -2.005 422 HG22 ILE 50 HG22 ILE 50 63.198 13.590 -2.555 423 HG23 ILE 50 HG23 ILE 50 64.358 12.358 -1.956 424 HD11 ILE 50 HD1 ILE 50 63.760 12.589 -6.722 425 HD12 ILE 50 HD2 ILE 50 65.027 11.341 -6.412 426 HD13 ILE 50 HD3 ILE 50 65.505 13.043 -6.747 427 H ASN 51 HN ASN 51 64.359 9.998 -1.511 428 HA ASN 51 HA ASN 51 67.193 9.889 -1.983 429 HB2 ASN 51 HB2 ASN 51 66.206 11.140 -0.041 430 HB3 ASN 51 HB1 ASN 51 65.578 9.610 0.636 431 HD21 ASN 51 HD21 ASN 51 68.624 9.055 2.383 432 HD22 ASN 51 HD22 ASN 51 66.901 8.895 2.298 433 H HIS 52 HN HIS 52 65.807 7.765 0.462 434 HA HIS 52 HA HIS 52 66.422 5.417 -1.209 435 HB2 HIS 52 HB2 HIS 52 67.949 5.554 0.767 436 HB3 HIS 52 HB1 HIS 52 66.532 5.725 1.854 437 HD1 HIS 52 HD1 HIS 52 67.542 3.214 -0.893 438 HD2 HIS 52 HD2 HIS 52 65.904 3.263 2.972 439 HE1 HIS 52 HE1 HIS 52 67.084 0.810 -0.234 440 HE2 HIS 52 HE2 HIS 52 66.088 0.886 2.091 441 H ILE 53 HN ILE 53 64.252 7.023 1.203 442 HA ILE 53 HA ILE 53 62.474 4.702 1.040 443 HB ILE 53 HB ILE 53 61.601 5.411 3.190 444 HG12 ILE 53 HG12 ILE 53 64.027 7.312 3.357 445 HG13 ILE 53 HG11 ILE 53 62.345 7.853 3.023 446 HG21 ILE 53 HG21 ILE 53 63.311 3.606 2.872 447 HG22 ILE 53 HG22 ILE 53 63.485 4.431 4.459 448 HG23 ILE 53 HG23 ILE 53 64.627 4.816 3.125 449 HD11 ILE 53 HD1 ILE 53 61.590 6.699 5.137 450 HD12 ILE 53 HD2 ILE 53 62.693 8.110 5.411 451 HD13 ILE 53 HD3 ILE 53 63.319 6.425 5.573 452 H VAL 54 HN VAL 54 60.112 5.302 1.423 453 HA VAL 54 HA VAL 54 59.466 7.338 -0.415 454 HB VAL 54 HB VAL 54 57.049 7.021 0.354 455 HG11 VAL 54 HG11 VAL 54 56.726 4.992 -0.866 456 HG12 VAL 54 HG12 VAL 54 58.416 4.477 -0.591 457 HG13 VAL 54 HG13 VAL 54 58.071 5.901 -1.647 458 HG21 VAL 54 HG21 VAL 54 57.505 6.195 2.680 459 HG22 VAL 54 HG22 VAL 54 58.294 4.721 2.015 460 HG23 VAL 54 HG23 VAL 54 56.541 5.011 1.736 461 H VAL 55 HN VAL 55 58.160 9.259 0.104 462 HA VAL 55 HA VAL 55 58.052 9.990 2.944 463 HB VAL 55 HB VAL 55 57.956 12.375 2.257 464 HG11 VAL 55 HG11 VAL 55 60.411 12.628 1.957 465 HG12 VAL 55 HG12 VAL 55 60.560 10.900 1.470 466 HG13 VAL 55 HG13 VAL 55 60.048 11.323 3.147 467 HG21 VAL 55 HG21 VAL 55 57.273 12.076 -0.146 468 HG22 VAL 55 HG22 VAL 55 58.866 11.311 -0.513 469 HG23 VAL 55 HG23 VAL 55 58.785 13.035 -0.012 470 H LEU 56 HN LEU 56 55.972 11.055 3.427 471 HA LEU 56 HA LEU 56 53.838 10.276 1.579 472 HB2 LEU 56 HB2 LEU 56 53.804 11.688 4.310 473 HB3 LEU 56 HB1 LEU 56 52.334 11.357 3.334 474 HG LEU 56 HG LEU 56 54.205 9.153 4.387 475 HD11 LEU 56 HD11 LEU 56 51.605 10.268 5.622 476 HD12 LEU 56 HD12 LEU 56 53.269 10.428 6.300 477 HD13 LEU 56 HD13 LEU 56 52.490 8.806 6.185 478 HD21 LEU 56 HD21 LEU 56 51.338 9.024 3.263 479 HD22 LEU 56 HD22 LEU 56 52.236 7.660 4.027 480 HD23 LEU 56 HD23 LEU 56 52.837 8.380 2.488 481 H ALA 57 HN ALA 57 52.529 11.942 0.609 482 HA ALA 57 HA ALA 57 53.881 14.284 -0.136 483 HB1 ALA 57 HB1 ALA 57 52.099 13.312 -1.566 484 HB2 ALA 57 HB2 ALA 57 51.704 15.013 -1.140 485 HB3 ALA 57 HB3 ALA 57 50.873 13.650 -0.291 486 H HIS 58 HN HIS 58 51.337 13.598 2.286 487 HA HIS 58 HA HIS 58 50.597 14.601 4.018 488 HB2 HIS 58 HB2 HIS 58 52.908 14.894 4.808 489 HB3 HIS 58 HB1 HIS 58 53.036 16.453 3.937 490 HD1 HIS 58 HD1 HIS 58 50.632 14.957 6.546 491 HD2 HIS 58 HD2 HIS 58 52.561 18.569 5.623 492 HE1 HIS 58 HE1 HIS 58 50.015 16.625 8.352 493 HE2 HIS 58 HE2 HIS 58 51.198 18.786 7.759 494 H HIS 59 HN HIS 59 51.778 17.820 3.210 495 HA HIS 59 HA HIS 59 49.463 18.369 1.542 496 HB2 HIS 59 HB2 HIS 59 50.188 20.009 4.045 497 HB3 HIS 59 HB1 HIS 59 48.998 20.506 2.787 498 HD1 HIS 59 HD1 HIS 59 46.942 18.662 2.510 499 HD2 HIS 59 HD2 HIS 59 49.078 18.571 6.121 500 HE1 HIS 59 HE1 HIS 59 45.522 17.410 4.194 501 HE2 HIS 59 HE2 HIS 59 46.848 17.369 6.352 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 42.550 -23.270 -0.578 2 H2 MET 1 HT2 MET 1 43.153 -23.968 -2.005 3 H3 MET 1 HT3 MET 1 44.200 -23.649 -0.704 4 HA MET 1 HA MET 1 41.960 -25.549 -0.702 5 HB2 MET 1 HB2 MET 1 43.939 -26.253 -2.117 6 HB3 MET 1 HB1 MET 1 44.998 -26.105 -0.678 7 HG2 MET 1 HG2 MET 1 43.555 -27.877 0.464 8 HG3 MET 1 HG1 MET 1 42.605 -28.019 -1.044 9 HE1 MET 1 HE1 MET 1 44.577 -31.377 -0.759 10 HE2 MET 1 HE2 MET 1 42.980 -30.564 -0.892 11 HE3 MET 1 HE3 MET 1 43.979 -30.348 0.587 12 H LEU 2 HN LEU 2 45.065 -24.802 1.042 13 HA LEU 2 HA LEU 2 43.860 -25.525 3.571 14 HB2 LEU 2 HB2 LEU 2 46.675 -24.672 2.715 15 HB3 LEU 2 HB1 LEU 2 46.203 -24.732 4.441 16 HG LEU 2 HG LEU 2 45.597 -27.125 4.240 17 HD11 LEU 2 HD11 LEU 2 46.928 -26.970 1.456 18 HD12 LEU 2 HD12 LEU 2 45.228 -27.451 1.828 19 HD13 LEU 2 HD13 LEU 2 46.588 -28.492 2.362 20 HD21 LEU 2 HD21 LEU 2 48.516 -26.406 3.549 21 HD22 LEU 2 HD22 LEU 2 47.950 -27.930 4.333 22 HD23 LEU 2 HD23 LEU 2 47.759 -26.353 5.186 23 H LYS 3 HN LYS 3 44.345 -23.966 5.438 24 HA LYS 3 HA LYS 3 43.086 -21.445 4.782 25 HB2 LYS 3 HB2 LYS 3 42.395 -23.030 6.656 26 HB3 LYS 3 HB1 LYS 3 43.847 -22.500 7.556 27 HG2 LYS 3 HG2 LYS 3 41.713 -20.578 6.422 28 HG3 LYS 3 HG1 LYS 3 41.531 -21.377 8.018 29 HD2 LYS 3 HD2 LYS 3 43.514 -20.297 8.914 30 HD3 LYS 3 HD1 LYS 3 43.913 -19.541 7.341 31 HE2 LYS 3 HE2 LYS 3 41.326 -18.993 8.925 32 HE3 LYS 3 HE1 LYS 3 42.804 -17.935 8.925 33 HZ1 LYS 3 HZ1 LYS 3 41.138 -17.152 7.408 34 HZ2 LYS 3 HZ2 LYS 3 41.140 -18.626 6.564 35 HZ3 LYS 3 HZ3 LYS 3 42.527 -17.646 6.563 36 H ASP 4 HN ASP 4 44.305 -19.708 4.289 37 HA ASP 4 HA ASP 4 47.001 -19.473 5.456 38 HB2 ASP 4 HB2 ASP 4 45.827 -18.183 2.910 39 HB3 ASP 4 HB1 ASP 4 47.479 -17.876 3.568 40 H TYR 5 HN TYR 5 47.593 -17.309 6.128 41 HA TYR 5 HA TYR 5 45.306 -15.918 7.323 42 HB2 TYR 5 HB2 TYR 5 48.250 -15.930 8.101 43 HB3 TYR 5 HB1 TYR 5 46.926 -15.059 8.980 44 HD1 TYR 5 HD1 TYR 5 45.004 -16.416 9.924 45 HD2 TYR 5 HD2 TYR 5 48.616 -18.255 8.494 46 HE1 TYR 5 HE1 TYR 5 44.435 -18.479 11.150 47 HE2 TYR 5 HE2 TYR 5 48.048 -20.326 9.708 48 HH TYR 5 HH TYR 5 45.035 -20.589 11.655 49 H HIS 6 HN HIS 6 47.758 -13.922 7.652 50 HA HIS 6 HA HIS 6 46.975 -12.149 5.545 51 HB2 HIS 6 HB2 HIS 6 47.677 -11.614 7.987 52 HB3 HIS 6 HB1 HIS 6 49.362 -11.811 7.460 53 HD1 HIS 6 HD1 HIS 6 46.295 -9.807 6.259 54 HD2 HIS 6 HD2 HIS 6 50.473 -9.449 6.478 55 HE1 HIS 6 HE1 HIS 6 46.903 -7.513 5.372 56 HE2 HIS 6 HE2 HIS 6 49.424 -7.340 5.513 57 H LEU 7 HN LEU 7 49.058 -14.651 5.884 58 HA LEU 7 HA LEU 7 51.351 -14.359 4.507 59 HB2 LEU 7 HB2 LEU 7 49.325 -16.651 4.111 60 HB3 LEU 7 HB1 LEU 7 51.085 -16.742 3.753 61 HG LEU 7 HG LEU 7 49.809 -16.322 6.527 62 HD11 LEU 7 HD11 LEU 7 49.335 -18.576 5.613 63 HD12 LEU 7 HD12 LEU 7 50.494 -18.665 6.990 64 HD13 LEU 7 HD13 LEU 7 51.091 -18.840 5.296 65 HD21 LEU 7 HD21 LEU 7 52.758 -16.798 5.752 66 HD22 LEU 7 HD22 LEU 7 52.098 -16.786 7.431 67 HD23 LEU 7 HD23 LEU 7 52.061 -15.283 6.442 68 H LYS 8 HN LYS 8 48.144 -15.066 3.000 69 HA LYS 8 HA LYS 8 49.083 -14.376 0.364 70 HB2 LYS 8 HB2 LYS 8 47.197 -16.045 0.750 71 HB3 LYS 8 HB1 LYS 8 46.219 -14.708 1.427 72 HG2 LYS 8 HG2 LYS 8 46.541 -13.515 -0.883 73 HG3 LYS 8 HG1 LYS 8 47.286 -15.041 -1.446 74 HD2 LYS 8 HD2 LYS 8 44.986 -15.027 -2.173 75 HD3 LYS 8 HD1 LYS 8 45.134 -16.254 -0.870 76 HE2 LYS 8 HE2 LYS 8 43.023 -14.926 -0.651 77 HE3 LYS 8 HE1 LYS 8 44.096 -14.624 0.770 78 HZ1 LYS 8 HZ1 LYS 8 43.138 -12.611 -0.072 79 HZ2 LYS 8 HZ2 LYS 8 43.798 -12.872 -1.615 80 HZ3 LYS 8 HZ3 LYS 8 44.823 -12.587 -0.291 81 H GLU 9 HN GLU 9 49.162 -12.283 -0.405 82 HA GLU 9 HA GLU 9 48.431 -10.163 1.397 83 HB2 GLU 9 HB2 GLU 9 49.545 -8.669 -0.231 84 HB3 GLU 9 HB1 GLU 9 50.619 -9.928 0.436 85 HG2 GLU 9 HG2 GLU 9 49.183 -10.298 -2.249 86 HG3 GLU 9 HG1 GLU 9 50.733 -9.386 -2.119 87 H MET 10 HN MET 10 47.300 -8.187 0.423 88 HA MET 10 HA MET 10 45.282 -9.030 -1.561 89 HB2 MET 10 HB2 MET 10 44.874 -7.385 0.982 90 HB3 MET 10 HB1 MET 10 43.664 -7.519 -0.342 91 HG2 MET 10 HG2 MET 10 43.579 -9.980 -0.054 92 HG3 MET 10 HG1 MET 10 44.759 -9.894 1.286 93 HE1 MET 10 HE1 MET 10 42.927 -8.261 4.232 94 HE2 MET 10 HE2 MET 10 44.013 -7.457 3.054 95 HE3 MET 10 HE3 MET 10 44.379 -9.125 3.617 96 HA PRO 11 HA PRO 11 47.097 -5.298 -3.324 97 HB2 PRO 11 HB2 PRO 11 46.231 -7.024 -5.733 98 HB3 PRO 11 HB1 PRO 11 47.676 -5.942 -5.605 99 HG2 PRO 11 HG1 PRO 11 47.855 -8.693 -5.337 100 HG3 PRO 11 HG2 PRO 11 48.855 -7.583 -4.296 101 HD2 PRO 11 HD1 PRO 11 46.324 -9.146 -3.599 102 HD3 PRO 11 HD2 PRO 11 47.784 -8.715 -2.607 103 H GLU 12 HN GLU 12 44.055 -6.839 -3.091 104 HA GLU 12 HA GLU 12 42.670 -5.215 -4.975 105 HB2 GLU 12 HB2 GLU 12 40.625 -6.433 -4.154 106 HB3 GLU 12 HB1 GLU 12 41.935 -7.516 -4.735 107 HG2 GLU 12 HG2 GLU 12 42.724 -7.883 -2.411 108 HG3 GLU 12 HG1 GLU 12 41.428 -6.800 -1.782 109 H MET 13 HN MET 13 43.981 -4.506 -2.188 110 HA MET 13 HA MET 13 41.904 -2.571 -1.385 111 HB2 MET 13 HB2 MET 13 44.200 -3.723 0.309 112 HB3 MET 13 HB1 MET 13 43.025 -2.463 0.839 113 HG2 MET 13 HG2 MET 13 41.159 -4.113 0.437 114 HG3 MET 13 HG1 MET 13 42.375 -5.380 0.094 115 HE1 MET 13 HE1 MET 13 39.924 -5.217 2.296 116 HE2 MET 13 HE2 MET 13 40.695 -6.268 3.534 117 HE3 MET 13 HE3 MET 13 40.872 -6.654 1.787 118 H GLU 14 HN GLU 14 43.083 -0.582 -0.343 119 HA GLU 14 HA GLU 14 45.544 0.130 -1.687 120 HB2 GLU 14 HB2 GLU 14 44.534 2.143 -2.759 121 HB3 GLU 14 HB1 GLU 14 43.753 0.651 -3.385 122 HG2 GLU 14 HG2 GLU 14 41.802 1.003 -1.829 123 HG3 GLU 14 HG1 GLU 14 42.531 2.544 -1.258 124 H ASP 15 HN ASP 15 42.971 0.472 0.614 125 HA ASP 15 HA ASP 15 44.042 2.818 1.834 126 HB2 ASP 15 HB2 ASP 15 42.353 2.684 3.477 127 HB3 ASP 15 HB1 ASP 15 41.615 2.447 1.865 128 H GLU 16 HN GLU 16 44.345 -0.669 2.100 129 HA GLU 16 HA GLU 16 45.686 -0.879 4.535 130 HB2 GLU 16 HB2 GLU 16 44.772 -2.827 3.214 131 HB3 GLU 16 HB1 GLU 16 46.032 -2.548 1.969 132 HG2 GLU 16 HG2 GLU 16 47.813 -2.986 3.766 133 HG3 GLU 16 HG1 GLU 16 46.491 -3.352 4.929 134 H PHE 17 HN PHE 17 46.784 -0.269 1.145 135 HA PHE 17 HA PHE 17 49.509 -0.127 1.736 136 HB2 PHE 17 HB2 PHE 17 48.577 -0.464 -0.581 137 HB3 PHE 17 HB1 PHE 17 47.933 1.207 -0.558 138 HD1 PHE 17 HD1 PHE 17 51.053 -0.849 -0.482 139 HD2 PHE 17 HD2 PHE 17 49.392 3.071 -1.016 140 HE1 PHE 17 HE1 PHE 17 53.230 -0.043 -1.347 141 HE2 PHE 17 HE2 PHE 17 51.600 3.891 -1.801 142 HZ PHE 17 HZ PHE 17 53.532 2.333 -1.900 143 H LEU 18 HN LEU 18 46.900 2.342 1.727 144 HA LEU 18 HA LEU 18 48.573 4.553 1.856 145 HB2 LEU 18 HB2 LEU 18 45.685 3.917 2.059 146 HB3 LEU 18 HB1 LEU 18 46.082 5.408 2.921 147 HG LEU 18 HG LEU 18 46.958 4.818 0.039 148 HD11 LEU 18 HD11 LEU 18 44.456 6.380 0.948 149 HD12 LEU 18 HD12 LEU 18 44.476 4.763 0.147 150 HD13 LEU 18 HD13 LEU 18 45.052 6.217 -0.748 151 HD21 LEU 18 HD21 LEU 18 47.264 7.292 -0.152 152 HD22 LEU 18 HD22 LEU 18 48.301 6.604 1.145 153 HD23 LEU 18 HD23 LEU 18 46.792 7.491 1.576 154 H GLU 19 HN GLU 19 47.565 2.374 4.452 155 HA GLU 19 HA GLU 19 48.103 4.453 6.465 156 HB2 GLU 19 HB2 GLU 19 46.930 1.650 6.689 157 HB3 GLU 19 HB1 GLU 19 47.305 2.711 8.093 158 HG2 GLU 19 HG2 GLU 19 45.300 3.359 5.830 159 HG3 GLU 19 HG1 GLU 19 44.916 2.827 7.505 160 H TYR 20 HN TYR 20 49.523 1.845 4.746 161 HA TYR 20 HA TYR 20 51.491 1.094 6.728 162 HB2 TYR 20 HB2 TYR 20 50.883 0.480 3.776 163 HB3 TYR 20 HB1 TYR 20 52.410 -0.029 4.428 164 HD1 TYR 20 HD1 TYR 20 52.340 -2.293 4.393 165 HD2 TYR 20 HD2 TYR 20 49.196 -0.201 6.420 166 HE1 TYR 20 HE1 TYR 20 51.466 -4.444 5.235 167 HE2 TYR 20 HE2 TYR 20 48.327 -2.334 7.292 168 HH TYR 20 HH TYR 20 49.880 -5.471 6.458 169 H CYS 21 HN CYS 21 50.946 3.397 4.256 170 HA CYS 21 HA CYS 21 53.559 3.684 3.367 171 HB2 CYS 21 HB2 CYS 21 51.371 5.873 3.425 172 HB3 CYS 21 HB1 CYS 21 52.946 6.077 2.608 173 HG CYS 21 HG1 CYS 21 51.159 5.755 0.847 174 H ALA 22 HN ALA 22 51.859 4.863 6.168 175 HA ALA 22 HA ALA 22 53.398 7.063 6.916 176 HB1 ALA 22 HB1 ALA 22 51.075 6.605 7.737 177 HB2 ALA 22 HB2 ALA 22 52.222 6.788 9.115 178 HB3 ALA 22 HB3 ALA 22 51.670 5.144 8.601 179 H LYS 23 HN LYS 23 54.055 3.667 7.006 180 HA LYS 23 HA LYS 23 56.292 3.978 8.846 181 HB2 LYS 23 HB2 LYS 23 54.953 1.818 8.958 182 HB3 LYS 23 HB1 LYS 23 55.354 1.527 7.243 183 HG2 LYS 23 HG2 LYS 23 57.884 1.703 8.044 184 HG3 LYS 23 HG1 LYS 23 57.206 1.580 9.697 185 HD2 LYS 23 HD2 LYS 23 57.908 -0.616 9.029 186 HD3 LYS 23 HD1 LYS 23 56.108 -0.626 8.984 187 HE2 LYS 23 HE2 LYS 23 56.184 -0.372 6.464 188 HE3 LYS 23 HE1 LYS 23 57.991 -0.293 6.532 189 HZ1 LYS 23 HZ1 LYS 23 58.003 -2.510 7.439 190 HZ2 LYS 23 HZ2 LYS 23 57.191 -2.464 5.950 191 HZ3 LYS 23 HZ3 LYS 23 56.306 -2.585 7.395 192 H ASN 24 HN ASN 24 57.153 5.607 7.540 193 HA ASN 24 HA ASN 24 57.820 5.338 4.873 194 HB2 ASN 24 HB2 ASN 24 59.143 7.134 6.986 195 HB3 ASN 24 HB1 ASN 24 59.375 7.281 5.209 196 HD21 ASN 24 HD21 ASN 24 56.009 8.510 4.564 197 HD22 ASN 24 HD22 ASN 24 57.261 7.521 3.889 198 HA PRO 25 HA PRO 25 62.183 3.823 6.148 199 HB2 PRO 25 HB2 PRO 25 62.188 2.189 8.526 200 HB3 PRO 25 HB1 PRO 25 62.851 3.875 8.396 201 HG2 PRO 25 HG1 PRO 25 60.082 2.981 9.341 202 HG3 PRO 25 HG2 PRO 25 61.173 4.230 10.078 203 HD2 PRO 25 HD1 PRO 25 59.095 4.999 8.493 204 HD3 PRO 25 HD2 PRO 25 60.715 5.786 8.242 205 H SER 26 HN SER 26 62.857 1.825 5.276 206 HA SER 26 HA SER 26 62.670 -0.071 4.295 207 HB2 SER 26 HB2 SER 26 60.918 -0.786 6.701 208 HB3 SER 26 HB1 SER 26 61.412 -1.991 5.431 209 HG SER 26 HG1 SER 26 62.986 -0.511 7.242 210 H TYR 27 HN TYR 27 61.666 1.448 2.753 211 HA TYR 27 HA TYR 27 58.866 1.408 2.387 212 HB2 TYR 27 HB2 TYR 27 59.171 2.849 0.612 213 HB3 TYR 27 HB1 TYR 27 60.483 3.335 1.743 214 HD1 TYR 27 HD1 TYR 27 62.665 1.338 1.004 215 HD2 TYR 27 HD2 TYR 27 59.866 3.455 -1.486 216 HE1 TYR 27 HE1 TYR 27 64.101 0.955 -0.952 217 HE2 TYR 27 HE2 TYR 27 61.308 3.149 -3.403 218 HH TYR 27 HH TYR 27 64.387 1.266 -3.167 219 H GLU 28 HN GLU 28 61.501 -0.478 1.501 220 HA GLU 28 HA GLU 28 60.718 -1.771 -0.835 221 HB2 GLU 28 HB2 GLU 28 62.425 -3.553 0.156 222 HB3 GLU 28 HB1 GLU 28 63.008 -1.940 -0.357 223 HG2 GLU 28 HG2 GLU 28 63.113 -1.078 1.900 224 HG3 GLU 28 HG1 GLU 28 62.300 -2.515 2.600 225 H GLU 29 HN GLU 29 59.908 -2.261 2.604 226 HA GLU 29 HA GLU 29 58.722 -4.848 2.105 227 HB2 GLU 29 HB2 GLU 29 58.774 -3.007 4.548 228 HB3 GLU 29 HB1 GLU 29 58.077 -4.672 4.538 229 HG2 GLU 29 HG2 GLU 29 60.274 -5.661 3.993 230 HG3 GLU 29 HG1 GLU 29 61.035 -4.034 3.905 231 H ALA 30 HN ALA 30 57.778 -1.727 1.352 232 HA ALA 30 HA ALA 30 54.927 -2.304 1.795 233 HB1 ALA 30 HB1 ALA 30 55.683 -0.131 2.781 234 HB2 ALA 30 HB2 ALA 30 54.546 0.123 1.404 235 HB3 ALA 30 HB3 ALA 30 56.320 0.371 1.177 236 H TYR 31 HN TYR 31 57.577 -1.972 -0.513 237 HA TYR 31 HA TYR 31 55.798 -1.679 -2.785 238 HB2 TYR 31 HB2 TYR 31 57.995 -0.554 -2.959 239 HB3 TYR 31 HB1 TYR 31 58.809 -1.977 -2.341 240 HD1 TYR 31 HD1 TYR 31 60.388 -2.365 -4.068 241 HD2 TYR 31 HD2 TYR 31 56.260 -1.871 -5.110 242 HE1 TYR 31 HE1 TYR 31 60.865 -3.187 -6.345 243 HE2 TYR 31 HE2 TYR 31 56.689 -2.790 -7.345 244 HH TYR 31 HH TYR 31 60.015 -3.749 -8.354 245 H LEU 32 HN LEU 32 58.194 -4.100 -1.601 246 HA LEU 32 HA LEU 32 57.569 -5.918 -3.609 247 HB2 LEU 32 HB2 LEU 32 59.020 -6.245 -0.927 248 HB3 LEU 32 HB1 LEU 32 59.073 -7.450 -2.246 249 HG LEU 32 HG LEU 32 59.979 -4.507 -2.575 250 HD11 LEU 32 HD11 LEU 32 62.315 -5.280 -2.255 251 HD12 LEU 32 HD12 LEU 32 61.742 -6.953 -1.896 252 HD13 LEU 32 HD13 LEU 32 61.334 -5.599 -0.777 253 HD21 LEU 32 HD21 LEU 32 60.575 -7.017 -4.277 254 HD22 LEU 32 HD22 LEU 32 61.248 -5.365 -4.544 255 HD23 LEU 32 HD23 LEU 32 59.482 -5.654 -4.728 256 H LYS 33 HN LYS 33 56.297 -5.490 -0.381 257 HA LYS 33 HA LYS 33 55.152 -8.024 0.012 258 HB2 LYS 33 HB2 LYS 33 55.538 -6.293 1.821 259 HB3 LYS 33 HB1 LYS 33 54.281 -5.277 1.111 260 HG2 LYS 33 HG2 LYS 33 53.351 -8.070 1.746 261 HG3 LYS 33 HG1 LYS 33 54.009 -7.178 3.163 262 HD2 LYS 33 HD2 LYS 33 52.488 -5.298 2.706 263 HD3 LYS 33 HD1 LYS 33 51.887 -6.118 1.225 264 HE2 LYS 33 HE2 LYS 33 51.552 -7.052 4.177 265 HE3 LYS 33 HE1 LYS 33 50.273 -6.403 3.075 266 HZ1 LYS 33 HZ1 LYS 33 51.765 -8.935 2.695 267 HZ2 LYS 33 HZ2 LYS 33 50.557 -8.317 1.676 268 HZ3 LYS 33 HZ3 LYS 33 50.173 -8.776 3.265 269 H PHE 34 HN PHE 34 53.899 -4.926 -1.305 270 HA PHE 34 HA PHE 34 51.299 -6.023 -1.910 271 HB2 PHE 34 HB2 PHE 34 52.621 -3.260 -2.322 272 HB3 PHE 34 HB1 PHE 34 50.990 -3.654 -2.936 273 HD1 PHE 34 HD1 PHE 34 49.095 -3.467 -1.499 274 HD2 PHE 34 HD2 PHE 34 53.041 -3.578 0.185 275 HE1 PHE 34 HE1 PHE 34 48.187 -2.804 0.707 276 HE2 PHE 34 HE2 PHE 34 52.163 -2.963 2.360 277 HZ PHE 34 HZ PHE 34 49.726 -2.520 2.652 278 H GLY 35 HN GLY 35 53.236 -3.931 -4.031 279 HA2 GLY 35 HA2 GLY 35 54.540 -5.528 -5.623 280 HA3 GLY 35 HA1 GLY 35 52.865 -5.599 -6.325 281 H ASP 36 HN ASP 36 52.789 -4.251 -8.028 282 HA ASP 36 HA ASP 36 54.434 -1.999 -8.259 283 HB2 ASP 36 HB2 ASP 36 53.144 -1.581 -10.399 284 HB3 ASP 36 HB1 ASP 36 53.853 -3.217 -10.241 285 H LYS 37 HN LYS 37 51.883 -2.282 -6.248 286 HA LYS 37 HA LYS 37 50.282 -0.086 -6.506 287 HB2 LYS 37 HB2 LYS 37 49.963 -2.046 -4.973 288 HB3 LYS 37 HB1 LYS 37 51.319 -1.452 -3.991 289 HG2 LYS 37 HG2 LYS 37 49.218 -0.860 -2.926 290 HG3 LYS 37 HG1 LYS 37 50.058 0.635 -3.457 291 HD2 LYS 37 HD2 LYS 37 47.685 0.870 -3.817 292 HD3 LYS 37 HD1 LYS 37 48.506 0.817 -5.411 293 HE2 LYS 37 HE2 LYS 37 47.780 -1.586 -5.703 294 HE3 LYS 37 HE1 LYS 37 47.015 -1.550 -4.062 295 HZ1 LYS 37 HZ1 LYS 37 45.431 -1.198 -5.811 296 HZ2 LYS 37 HZ2 LYS 37 46.281 0.158 -6.381 297 HZ3 LYS 37 HZ3 LYS 37 45.559 0.192 -4.843 298 H LEU 38 HN LEU 38 53.545 -0.419 -5.006 299 HA LEU 38 HA LEU 38 53.509 2.266 -3.979 300 HB2 LEU 38 HB2 LEU 38 54.822 0.358 -2.843 301 HB3 LEU 38 HB1 LEU 38 55.847 0.292 -4.231 302 HG LEU 38 HG LEU 38 55.563 3.020 -2.965 303 HD11 LEU 38 HD11 LEU 38 57.013 0.756 -1.473 304 HD12 LEU 38 HD12 LEU 38 55.519 1.602 -0.935 305 HD13 LEU 38 HD13 LEU 38 57.073 2.505 -1.058 306 HD21 LEU 38 HD21 LEU 38 58.015 1.366 -3.841 307 HD22 LEU 38 HD22 LEU 38 58.044 3.088 -3.295 308 HD23 LEU 38 HD23 LEU 38 57.184 2.636 -4.815 309 H LEU 39 HN LEU 39 54.615 0.710 -6.977 310 HA LEU 39 HA LEU 39 56.285 2.807 -7.787 311 HB2 LEU 39 HB2 LEU 39 54.723 0.812 -9.508 312 HB3 LEU 39 HB1 LEU 39 56.078 1.844 -10.063 313 HG LEU 39 HG LEU 39 56.205 -0.390 -7.947 314 HD11 LEU 39 HD11 LEU 39 57.337 -0.240 -10.806 315 HD12 LEU 39 HD12 LEU 39 55.906 -1.204 -10.276 316 HD13 LEU 39 HD13 LEU 39 57.549 -1.610 -9.648 317 HD21 LEU 39 HD21 LEU 39 57.880 1.330 -7.337 318 HD22 LEU 39 HD22 LEU 39 58.494 1.374 -9.035 319 HD23 LEU 39 HD23 LEU 39 58.701 -0.109 -8.032 320 H GLU 40 HN GLU 40 52.809 2.094 -8.484 321 HA GLU 40 HA GLU 40 52.511 4.329 -10.184 322 HB2 GLU 40 HB2 GLU 40 50.054 3.924 -9.942 323 HB3 GLU 40 HB1 GLU 40 50.986 2.489 -10.511 324 HG2 GLU 40 HG2 GLU 40 50.881 1.502 -8.233 325 HG3 GLU 40 HG1 GLU 40 50.087 2.957 -7.598 326 H TYR 41 HN TYR 41 52.021 3.906 -6.643 327 HA TYR 41 HA TYR 41 50.518 6.320 -6.376 328 HB2 TYR 41 HB2 TYR 41 51.672 4.164 -4.552 329 HB3 TYR 41 HB1 TYR 41 51.443 5.757 -3.813 330 HD1 TYR 41 HD1 TYR 41 49.127 4.358 -6.486 331 HD2 TYR 41 HD2 TYR 41 49.709 5.331 -2.322 332 HE1 TYR 41 HE1 TYR 41 46.744 4.054 -6.086 333 HE2 TYR 41 HE2 TYR 41 47.301 5.089 -1.957 334 HH TYR 41 HH TYR 41 45.052 4.180 -4.591 335 H GLU 42 HN GLU 42 53.855 5.450 -6.525 336 HA GLU 42 HA GLU 42 54.965 7.773 -5.312 337 HB2 GLU 42 HB2 GLU 42 56.195 5.633 -5.611 338 HB3 GLU 42 HB1 GLU 42 56.160 5.862 -7.391 339 HG2 GLU 42 HG2 GLU 42 57.539 7.994 -7.082 340 HG3 GLU 42 HG1 GLU 42 57.613 7.631 -5.315 341 H LEU 43 HN LEU 43 54.337 6.782 -8.721 342 HA LEU 43 HA LEU 43 55.099 9.253 -9.832 343 HB2 LEU 43 HB2 LEU 43 53.787 6.675 -10.768 344 HB3 LEU 43 HB1 LEU 43 53.649 8.109 -11.818 345 HG LEU 43 HG LEU 43 56.152 8.402 -11.693 346 HD11 LEU 43 HD11 LEU 43 56.728 6.955 -9.736 347 HD12 LEU 43 HD12 LEU 43 57.610 6.468 -11.223 348 HD13 LEU 43 HD13 LEU 43 56.202 5.500 -10.670 349 HD21 LEU 43 HD21 LEU 43 56.580 6.725 -13.492 350 HD22 LEU 43 HD22 LEU 43 54.964 7.502 -13.687 351 HD23 LEU 43 HD23 LEU 43 55.086 5.828 -13.023 352 H LEU 44 HN LEU 44 52.174 8.208 -8.239 353 HA LEU 44 HA LEU 44 50.388 9.860 -9.711 354 HB2 LEU 44 HB2 LEU 44 49.593 7.781 -8.806 355 HB3 LEU 44 HB1 LEU 44 50.152 8.237 -7.170 356 HG LEU 44 HG LEU 44 48.407 9.865 -6.917 357 HD11 LEU 44 HD11 LEU 44 47.562 9.265 -9.834 358 HD12 LEU 44 HD12 LEU 44 48.244 10.819 -9.222 359 HD13 LEU 44 HD13 LEU 44 46.626 10.267 -8.661 360 HD21 LEU 44 HD21 LEU 44 46.410 8.406 -6.960 361 HD22 LEU 44 HD22 LEU 44 47.868 7.472 -6.455 362 HD23 LEU 44 HD23 LEU 44 47.220 7.291 -8.125 363 H GLY 45 HN GLY 45 51.118 9.873 -6.142 364 HA2 GLY 45 HA2 GLY 45 52.271 12.019 -5.522 365 HA3 GLY 45 HA1 GLY 45 50.772 12.787 -6.194 366 H LYS 46 HN LYS 46 51.223 9.739 -4.386 367 HA LYS 46 HA LYS 46 49.386 10.696 -2.299 368 HB2 LYS 46 HB2 LYS 46 50.276 7.905 -3.150 369 HB3 LYS 46 HB1 LYS 46 49.206 8.217 -1.743 370 HG2 LYS 46 HG2 LYS 46 48.366 9.267 -4.499 371 HG3 LYS 46 HG1 LYS 46 48.341 7.509 -4.205 372 HD2 LYS 46 HD2 LYS 46 46.133 8.389 -3.807 373 HD3 LYS 46 HD1 LYS 46 46.832 7.746 -2.288 374 HE2 LYS 46 HE2 LYS 46 45.555 9.848 -1.890 375 HE3 LYS 46 HE1 LYS 46 47.301 10.090 -1.497 376 HZ1 LYS 46 HZ1 LYS 46 47.583 11.121 -3.654 377 HZ2 LYS 46 HZ2 LYS 46 46.388 11.916 -2.746 378 HZ3 LYS 46 HZ3 LYS 46 45.941 10.888 -4.022 379 H ILE 47 HN ILE 47 52.229 8.661 -2.972 380 HA ILE 47 HA ILE 47 53.691 9.664 -0.627 381 HB ILE 47 HB ILE 47 55.222 7.743 -1.163 382 HG12 ILE 47 HG12 ILE 47 52.890 6.514 -2.675 383 HG13 ILE 47 HG11 ILE 47 53.930 7.636 -3.585 384 HG21 ILE 47 HG21 ILE 47 53.785 6.097 -0.027 385 HG22 ILE 47 HG22 ILE 47 52.311 7.066 -0.398 386 HG23 ILE 47 HG23 ILE 47 53.577 7.727 0.710 387 HD11 ILE 47 HD1 ILE 47 54.880 5.215 -2.064 388 HD12 ILE 47 HD2 ILE 47 55.953 6.298 -3.022 389 HD13 ILE 47 HD3 ILE 47 54.693 5.288 -3.843 390 H LYS 48 HN LYS 48 56.173 9.702 -1.349 391 HA LYS 48 HA LYS 48 56.513 9.612 -4.175 392 HB2 LYS 48 HB2 LYS 48 57.834 11.885 -2.514 393 HB3 LYS 48 HB1 LYS 48 58.157 11.568 -4.252 394 HG2 LYS 48 HG2 LYS 48 55.815 12.194 -4.813 395 HG3 LYS 48 HG1 LYS 48 55.492 12.569 -3.083 396 HD2 LYS 48 HD2 LYS 48 57.607 13.954 -4.842 397 HD3 LYS 48 HD1 LYS 48 55.964 14.591 -4.468 398 HE2 LYS 48 HE2 LYS 48 56.550 14.643 -2.007 399 HE3 LYS 48 HE1 LYS 48 58.224 14.076 -2.411 400 HZ1 LYS 48 HZ1 LYS 48 58.507 16.042 -3.756 401 HZ2 LYS 48 HZ2 LYS 48 58.110 16.444 -2.154 402 HZ3 LYS 48 HZ3 LYS 48 56.939 16.576 -3.377 403 H ARG 49 HN ARG 49 59.219 9.830 -4.348 404 HA ARG 49 HA ARG 49 60.553 8.810 -2.062 405 HB2 ARG 49 HB2 ARG 49 59.527 6.677 -2.951 406 HB3 ARG 49 HB1 ARG 49 60.301 6.972 -4.535 407 HG2 ARG 49 HG2 ARG 49 62.100 6.910 -2.081 408 HG3 ARG 49 HG1 ARG 49 61.299 5.382 -2.565 409 HD2 ARG 49 HD2 ARG 49 62.291 5.544 -4.863 410 HD3 ARG 49 HD1 ARG 49 63.133 7.082 -4.389 411 HE ARG 49 HE ARG 49 63.685 4.893 -2.518 412 HH11 ARG 49 HH11 ARG 49 65.755 3.823 -2.630 413 HH12 ARG 49 HH12 ARG 49 66.780 4.043 -4.009 414 HH21 ARG 49 HH21 ARG 49 64.556 6.220 -5.726 415 HH22 ARG 49 HH22 ARG 49 66.090 5.420 -5.789 416 H ILE 50 HN ILE 50 62.823 9.255 -2.367 417 HA ILE 50 HA ILE 50 63.715 9.855 -5.018 418 HB ILE 50 HB ILE 50 62.750 12.019 -4.432 419 HG12 ILE 50 HG12 ILE 50 64.743 13.483 -4.648 420 HG13 ILE 50 HG11 ILE 50 65.830 12.096 -4.328 421 HG21 ILE 50 HG21 ILE 50 63.494 13.343 -2.507 422 HG22 ILE 50 HG22 ILE 50 64.609 12.040 -1.974 423 HG23 ILE 50 HG23 ILE 50 62.825 11.776 -1.928 424 HD11 ILE 50 HD1 ILE 50 63.847 12.309 -6.700 425 HD12 ILE 50 HD2 ILE 50 65.031 10.973 -6.429 426 HD13 ILE 50 HD3 ILE 50 65.618 12.636 -6.782 427 H ASN 51 HN ASN 51 64.285 9.641 -1.491 428 HA ASN 51 HA ASN 51 67.129 9.596 -1.878 429 HB2 ASN 51 HB2 ASN 51 65.405 9.287 0.664 430 HB3 ASN 51 HB1 ASN 51 67.208 9.410 0.629 431 HD21 ASN 51 HD21 ASN 51 65.082 12.791 0.834 432 HD22 ASN 51 HD22 ASN 51 64.522 11.214 1.284 433 H HIS 52 HN HIS 52 65.721 7.486 0.544 434 HA HIS 52 HA HIS 52 66.516 5.121 -1.001 435 HB2 HIS 52 HB2 HIS 52 67.254 4.044 1.091 436 HB3 HIS 52 HB1 HIS 52 68.265 5.463 0.680 437 HD1 HIS 52 HD1 HIS 52 67.853 4.162 3.558 438 HD2 HIS 52 HD2 HIS 52 66.193 7.773 2.207 439 HE1 HIS 52 HE1 HIS 52 67.414 5.601 5.595 440 HE2 HIS 52 HE2 HIS 52 66.431 7.771 4.735 441 H ILE 53 HN ILE 53 64.283 6.820 1.167 442 HA ILE 53 HA ILE 53 62.519 4.463 1.150 443 HB ILE 53 HB ILE 53 61.630 5.159 3.281 444 HG12 ILE 53 HG12 ILE 53 64.017 7.103 3.484 445 HG13 ILE 53 HG11 ILE 53 62.332 7.607 3.131 446 HG21 ILE 53 HG21 ILE 53 63.528 4.226 4.601 447 HG22 ILE 53 HG22 ILE 53 64.660 4.566 3.253 448 HG23 ILE 53 HG23 ILE 53 63.334 3.364 3.036 449 HD11 ILE 53 HD1 ILE 53 61.574 6.451 5.239 450 HD12 ILE 53 HD2 ILE 53 62.651 7.880 5.520 451 HD13 ILE 53 HD3 ILE 53 63.303 6.206 5.696 452 H VAL 54 HN VAL 54 60.160 5.178 1.527 453 HA VAL 54 HA VAL 54 59.552 7.233 -0.335 454 HB VAL 54 HB VAL 54 57.150 6.971 0.445 455 HG11 VAL 54 HG11 VAL 54 58.474 4.404 -0.500 456 HG12 VAL 54 HG12 VAL 54 58.105 5.821 -1.556 457 HG13 VAL 54 HG13 VAL 54 56.778 4.916 -0.739 458 HG21 VAL 54 HG21 VAL 54 58.347 4.642 2.105 459 HG22 VAL 54 HG22 VAL 54 56.600 4.981 1.841 460 HG23 VAL 54 HG23 VAL 54 57.604 6.140 2.773 461 H VAL 55 HN VAL 55 58.258 9.154 0.213 462 HA VAL 55 HA VAL 55 58.242 9.916 3.046 463 HB VAL 55 HB VAL 55 58.155 12.296 2.325 464 HG11 VAL 55 HG11 VAL 55 60.596 12.514 1.927 465 HG12 VAL 55 HG12 VAL 55 60.709 10.777 1.461 466 HG13 VAL 55 HG13 VAL 55 60.267 11.231 3.151 467 HG21 VAL 55 HG21 VAL 55 58.893 12.909 0.014 468 HG22 VAL 55 HG22 VAL 55 57.373 11.956 -0.048 469 HG23 VAL 55 HG23 VAL 55 58.947 11.177 -0.460 470 H LEU 56 HN LEU 56 56.204 11.246 3.456 471 HA LEU 56 HA LEU 56 54.000 10.348 1.728 472 HB2 LEU 56 HB2 LEU 56 54.092 11.830 4.416 473 HB3 LEU 56 HB1 LEU 56 52.578 11.598 3.481 474 HG LEU 56 HG LEU 56 54.293 9.256 4.489 475 HD11 LEU 56 HD11 LEU 56 53.557 10.624 6.428 476 HD12 LEU 56 HD12 LEU 56 52.654 9.065 6.364 477 HD13 LEU 56 HD13 LEU 56 51.855 10.590 5.829 478 HD21 LEU 56 HD21 LEU 56 52.173 7.960 4.203 479 HD22 LEU 56 HD22 LEU 56 52.768 8.634 2.638 480 HD23 LEU 56 HD23 LEU 56 51.378 9.411 3.489 481 H ALA 57 HN ALA 57 52.642 12.004 0.777 482 HA ALA 57 HA ALA 57 54.004 14.434 0.077 483 HB1 ALA 57 HB1 ALA 57 52.506 13.305 -1.575 484 HB2 ALA 57 HB2 ALA 57 51.925 14.967 -1.201 485 HB3 ALA 57 HB3 ALA 57 51.111 13.534 -0.462 486 H HIS 58 HN HIS 58 51.851 13.289 2.581 487 HA HIS 58 HA HIS 58 50.915 15.862 3.425 488 HB2 HIS 58 HB2 HIS 58 51.069 13.179 4.933 489 HB3 HIS 58 HB1 HIS 58 50.170 14.642 5.481 490 HD1 HIS 58 HD1 HIS 58 48.550 12.187 5.239 491 HD2 HIS 58 HD2 HIS 58 49.168 14.674 1.913 492 HE1 HIS 58 HE1 HIS 58 46.666 11.742 3.604 493 HE2 HIS 58 HE2 HIS 58 47.074 13.261 1.617 494 H HIS 59 HN HIS 59 51.988 17.245 4.800 495 HA HIS 59 HA HIS 59 54.653 16.423 5.705 496 HB2 HIS 59 HB2 HIS 59 54.513 18.424 4.207 497 HB3 HIS 59 HB1 HIS 59 53.406 19.208 5.380 498 HD1 HIS 59 HD1 HIS 59 56.905 17.603 5.499 499 HD2 HIS 59 HD2 HIS 59 54.808 20.869 7.097 500 HE1 HIS 59 HE1 HIS 59 58.534 18.920 6.924 501 HE2 HIS 59 HE2 HIS 59 57.229 20.874 7.874 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 46.452 -23.812 -15.678 2 H2 MET 1 HT2 MET 1 46.435 -25.437 -15.179 3 H3 MET 1 HT3 MET 1 47.131 -24.248 -14.184 4 HA MET 1 HA MET 1 44.292 -24.428 -14.937 5 HB2 MET 1 HB2 MET 1 45.701 -24.980 -12.245 6 HB3 MET 1 HB1 MET 1 43.918 -24.933 -12.480 7 HG2 MET 1 HG2 MET 1 44.082 -26.825 -14.106 8 HG3 MET 1 HG1 MET 1 45.850 -26.913 -13.828 9 HE1 MET 1 HE1 MET 1 43.892 -29.330 -13.656 10 HE2 MET 1 HE2 MET 1 44.535 -30.184 -12.213 11 HE3 MET 1 HE3 MET 1 45.666 -29.413 -13.378 12 H LEU 2 HN LEU 2 43.158 -22.590 -14.699 13 HA LEU 2 HA LEU 2 42.556 -20.578 -14.276 14 HB2 LEU 2 HB2 LEU 2 44.294 -20.788 -11.774 15 HB3 LEU 2 HB1 LEU 2 43.417 -19.292 -12.194 16 HG LEU 2 HG LEU 2 41.267 -20.505 -12.249 17 HD11 LEU 2 HD11 LEU 2 41.053 -22.677 -10.966 18 HD12 LEU 2 HD12 LEU 2 42.848 -22.847 -10.992 19 HD13 LEU 2 HD13 LEU 2 41.906 -22.879 -12.532 20 HD21 LEU 2 HD21 LEU 2 41.010 -20.531 -9.771 21 HD22 LEU 2 HD22 LEU 2 42.006 -19.132 -10.318 22 HD23 LEU 2 HD23 LEU 2 42.804 -20.569 -9.575 23 H LYS 3 HN LYS 3 43.531 -18.152 -13.828 24 HA LYS 3 HA LYS 3 46.160 -17.967 -15.080 25 HB2 LYS 3 HB2 LYS 3 44.140 -17.548 -16.762 26 HB3 LYS 3 HB1 LYS 3 43.968 -15.990 -15.909 27 HG2 LYS 3 HG2 LYS 3 46.464 -17.106 -17.356 28 HG3 LYS 3 HG1 LYS 3 45.325 -15.886 -18.019 29 HD2 LYS 3 HD2 LYS 3 46.017 -14.254 -16.247 30 HD3 LYS 3 HD1 LYS 3 47.189 -15.443 -15.595 31 HE2 LYS 3 HE2 LYS 3 47.267 -14.276 -18.457 32 HE3 LYS 3 HE1 LYS 3 48.315 -13.781 -17.067 33 HZ1 LYS 3 HZ1 LYS 3 49.183 -16.007 -16.979 34 HZ2 LYS 3 HZ2 LYS 3 49.415 -15.319 -18.514 35 HZ3 LYS 3 HZ3 LYS 3 48.204 -16.486 -18.281 36 H ASP 4 HN ASP 4 47.332 -17.032 -13.518 37 HA ASP 4 HA ASP 4 46.252 -14.693 -12.185 38 HB2 ASP 4 HB2 ASP 4 45.834 -16.690 -10.623 39 HB3 ASP 4 HB1 ASP 4 47.594 -17.040 -10.677 40 H TYR 5 HN TYR 5 48.068 -13.407 -11.327 41 HA TYR 5 HA TYR 5 50.531 -13.784 -12.894 42 HB2 TYR 5 HB2 TYR 5 49.281 -11.274 -11.702 43 HB3 TYR 5 HB1 TYR 5 50.860 -11.332 -12.582 44 HD1 TYR 5 HD1 TYR 5 47.156 -11.576 -12.950 45 HD2 TYR 5 HD2 TYR 5 50.952 -11.652 -14.959 46 HE1 TYR 5 HE1 TYR 5 46.018 -11.183 -15.098 47 HE2 TYR 5 HE2 TYR 5 49.820 -11.245 -17.118 48 HH TYR 5 HH TYR 5 46.247 -10.875 -17.315 49 H HIS 6 HN HIS 6 51.261 -11.529 -10.808 50 HA HIS 6 HA HIS 6 52.343 -13.255 -8.742 51 HB2 HIS 6 HB2 HIS 6 52.615 -10.284 -9.363 52 HB3 HIS 6 HB1 HIS 6 53.457 -11.103 -8.010 53 HD1 HIS 6 HD1 HIS 6 54.913 -13.345 -9.039 54 HD2 HIS 6 HD2 HIS 6 54.170 -10.115 -11.615 55 HE1 HIS 6 HE1 HIS 6 56.583 -13.496 -10.939 56 HE2 HIS 6 HE2 HIS 6 56.097 -11.536 -12.470 57 H LEU 7 HN LEU 7 49.351 -11.961 -9.279 58 HA LEU 7 HA LEU 7 49.040 -10.351 -6.981 59 HB2 LEU 7 HB2 LEU 7 46.935 -11.654 -8.815 60 HB3 LEU 7 HB1 LEU 7 46.571 -10.415 -7.563 61 HG LEU 7 HG LEU 7 48.398 -9.989 -10.006 62 HD11 LEU 7 HD11 LEU 7 46.526 -8.675 -10.974 63 HD12 LEU 7 HD12 LEU 7 45.478 -9.103 -9.569 64 HD13 LEU 7 HD13 LEU 7 46.048 -10.391 -10.698 65 HD21 LEU 7 HD21 LEU 7 48.181 -7.552 -9.468 66 HD22 LEU 7 HD22 LEU 7 49.000 -8.454 -8.145 67 HD23 LEU 7 HD23 LEU 7 47.272 -7.963 -7.965 68 H LYS 8 HN LYS 8 49.051 -11.138 -4.988 69 HA LYS 8 HA LYS 8 48.378 -13.919 -4.508 70 HB2 LYS 8 HB2 LYS 8 49.481 -13.530 -2.310 71 HB3 LYS 8 HB1 LYS 8 50.532 -13.085 -3.692 72 HG2 LYS 8 HG2 LYS 8 49.829 -10.630 -3.341 73 HG3 LYS 8 HG1 LYS 8 48.962 -11.166 -1.867 74 HD2 LYS 8 HD2 LYS 8 51.064 -10.271 -1.159 75 HD3 LYS 8 HD1 LYS 8 51.141 -12.051 -0.941 76 HE2 LYS 8 HE2 LYS 8 53.289 -11.153 -1.841 77 HE3 LYS 8 HE1 LYS 8 52.518 -12.232 -3.069 78 HZ1 LYS 8 HZ1 LYS 8 51.674 -10.267 -4.173 79 HZ2 LYS 8 HZ2 LYS 8 53.366 -10.222 -4.035 80 HZ3 LYS 8 HZ3 LYS 8 52.406 -9.260 -3.017 81 H GLU 9 HN GLU 9 47.026 -10.704 -4.216 82 HA GLU 9 HA GLU 9 45.006 -11.619 -2.328 83 HB2 GLU 9 HB2 GLU 9 45.069 -9.326 -1.355 84 HB3 GLU 9 HB1 GLU 9 46.667 -10.147 -1.234 85 HG2 GLU 9 HG2 GLU 9 47.462 -8.903 -3.288 86 HG3 GLU 9 HG1 GLU 9 45.902 -8.002 -3.312 87 H MET 10 HN MET 10 43.264 -9.507 -2.554 88 HA MET 10 HA MET 10 42.645 -9.408 -5.384 89 HB2 MET 10 HB2 MET 10 40.815 -10.160 -3.954 90 HB3 MET 10 HB1 MET 10 41.064 -8.771 -2.847 91 HG2 MET 10 HG2 MET 10 39.111 -8.369 -4.275 92 HG3 MET 10 HG1 MET 10 40.432 -7.200 -4.576 93 HE1 MET 10 HE1 MET 10 38.108 -7.186 -6.421 94 HE2 MET 10 HE2 MET 10 38.829 -7.243 -8.067 95 HE3 MET 10 HE3 MET 10 39.612 -6.267 -6.779 96 HA PRO 11 HA PRO 11 44.347 -5.190 -4.638 97 HB2 PRO 11 HB2 PRO 11 44.509 -4.330 -7.292 98 HB3 PRO 11 HB1 PRO 11 45.659 -5.492 -6.551 99 HG2 PRO 11 HG1 PRO 11 43.153 -6.200 -8.175 100 HG3 PRO 11 HG2 PRO 11 44.863 -6.743 -8.464 101 HD2 PRO 11 HD1 PRO 11 43.147 -8.318 -7.012 102 HD3 PRO 11 HD2 PRO 11 44.854 -8.087 -6.439 103 H GLU 12 HN GLU 12 41.795 -5.449 -3.831 104 HA GLU 12 HA GLU 12 40.412 -3.205 -5.080 105 HB2 GLU 12 HB2 GLU 12 39.108 -5.372 -4.723 106 HB3 GLU 12 HB1 GLU 12 39.402 -5.205 -2.962 107 HG2 GLU 12 HG2 GLU 12 38.052 -3.069 -2.961 108 HG3 GLU 12 HG1 GLU 12 37.821 -3.216 -4.744 109 H MET 13 HN MET 13 42.444 -4.190 -2.731 110 HA MET 13 HA MET 13 41.775 -2.190 -0.701 111 HB2 MET 13 HB2 MET 13 44.037 -4.269 -0.782 112 HB3 MET 13 HB1 MET 13 43.677 -3.176 0.603 113 HG2 MET 13 HG2 MET 13 41.423 -4.206 0.838 114 HG3 MET 13 HG1 MET 13 41.773 -5.330 -0.511 115 HE1 MET 13 HE1 MET 13 43.266 -7.331 -0.490 116 HE2 MET 13 HE2 MET 13 44.447 -7.766 0.791 117 HE3 MET 13 HE3 MET 13 44.711 -6.300 -0.205 118 H GLU 14 HN GLU 14 43.168 -0.416 -0.192 119 HA GLU 14 HA GLU 14 45.590 -0.006 -1.632 120 HB2 GLU 14 HB2 GLU 14 44.854 1.942 -2.963 121 HB3 GLU 14 HB1 GLU 14 43.906 0.496 -3.442 122 HG2 GLU 14 HG2 GLU 14 41.952 1.267 -2.090 123 HG3 GLU 14 HG1 GLU 14 42.866 2.728 -1.568 124 H ASP 15 HN ASP 15 43.034 0.920 0.553 125 HA ASP 15 HA ASP 15 44.435 3.273 1.428 126 HB2 ASP 15 HB2 ASP 15 42.748 3.694 3.007 127 HB3 ASP 15 HB1 ASP 15 41.982 3.311 1.434 128 H GLU 16 HN GLU 16 44.349 -0.112 2.133 129 HA GLU 16 HA GLU 16 45.598 -0.209 4.626 130 HB2 GLU 16 HB2 GLU 16 44.564 -2.184 3.484 131 HB3 GLU 16 HB1 GLU 16 45.774 -2.056 2.167 132 HG2 GLU 16 HG2 GLU 16 47.616 -2.577 3.855 133 HG3 GLU 16 HG1 GLU 16 46.355 -2.733 5.133 134 H PHE 17 HN PHE 17 46.825 -0.030 1.231 135 HA PHE 17 HA PHE 17 49.539 -0.021 1.818 136 HB2 PHE 17 HB2 PHE 17 48.653 -0.468 -0.462 137 HB3 PHE 17 HB1 PHE 17 47.966 1.177 -0.547 138 HD1 PHE 17 HD1 PHE 17 49.320 3.071 -1.117 139 HD2 PHE 17 HD2 PHE 17 51.134 -0.766 -0.487 140 HE1 PHE 17 HE1 PHE 17 51.455 3.919 -2.047 141 HE2 PHE 17 HE2 PHE 17 53.235 0.061 -1.487 142 HZ PHE 17 HZ PHE 17 53.431 2.432 -2.174 143 H LEU 18 HN LEU 18 47.132 2.643 1.630 144 HA LEU 18 HA LEU 18 49.037 4.711 1.713 145 HB2 LEU 18 HB2 LEU 18 46.025 4.440 2.016 146 HB3 LEU 18 HB1 LEU 18 46.743 6.017 2.356 147 HG LEU 18 HG LEU 18 47.147 4.459 -0.270 148 HD11 LEU 18 HD11 LEU 18 45.499 6.000 -1.314 149 HD12 LEU 18 HD12 LEU 18 45.174 6.762 0.290 150 HD13 LEU 18 HD13 LEU 18 44.747 5.031 0.006 151 HD21 LEU 18 HD21 LEU 18 48.973 6.108 0.134 152 HD22 LEU 18 HD22 LEU 18 47.753 7.413 0.387 153 HD23 LEU 18 HD23 LEU 18 47.922 6.624 -1.225 154 H GLU 19 HN GLU 19 47.733 2.697 4.282 155 HA GLU 19 HA GLU 19 48.147 4.722 6.328 156 HB2 GLU 19 HB2 GLU 19 46.102 3.527 6.607 157 HB3 GLU 19 HB1 GLU 19 46.807 2.008 5.961 158 HG2 GLU 19 HG2 GLU 19 48.083 1.609 7.951 159 HG3 GLU 19 HG1 GLU 19 47.520 3.152 8.730 160 H TYR 20 HN TYR 20 49.478 1.848 4.790 161 HA TYR 20 HA TYR 20 51.362 1.145 6.811 162 HB2 TYR 20 HB2 TYR 20 50.904 0.516 3.834 163 HB3 TYR 20 HB1 TYR 20 52.341 -0.098 4.600 164 HD1 TYR 20 HD1 TYR 20 49.098 -0.007 6.521 165 HD2 TYR 20 HD2 TYR 20 52.025 -2.348 4.440 166 HE1 TYR 20 HE1 TYR 20 48.067 -2.058 7.400 167 HE2 TYR 20 HE2 TYR 20 50.993 -4.419 5.300 168 HH TYR 20 HH TYR 20 49.339 -5.313 6.544 169 H CYS 21 HN CYS 21 51.134 3.372 4.220 170 HA CYS 21 HA CYS 21 53.859 3.486 3.621 171 HB2 CYS 21 HB2 CYS 21 51.571 5.408 2.983 172 HB3 CYS 21 HB1 CYS 21 53.256 5.882 2.599 173 HG CYS 21 HG1 CYS 21 52.148 5.070 0.458 174 H ALA 22 HN ALA 22 52.053 4.691 6.257 175 HA ALA 22 HA ALA 22 53.468 6.983 7.013 176 HB1 ALA 22 HB1 ALA 22 51.948 4.938 8.742 177 HB2 ALA 22 HB2 ALA 22 51.195 6.333 7.899 178 HB3 ALA 22 HB3 ALA 22 52.384 6.623 9.225 179 H LYS 23 HN LYS 23 54.275 3.602 7.047 180 HA LYS 23 HA LYS 23 56.494 3.939 8.892 181 HB2 LYS 23 HB2 LYS 23 55.155 1.784 8.973 182 HB3 LYS 23 HB1 LYS 23 55.625 1.474 7.273 183 HG2 LYS 23 HG2 LYS 23 58.076 1.488 8.028 184 HG3 LYS 23 HG1 LYS 23 57.507 1.767 9.704 185 HD2 LYS 23 HD2 LYS 23 58.023 -0.577 9.501 186 HD3 LYS 23 HD1 LYS 23 56.240 -0.414 9.615 187 HE2 LYS 23 HE2 LYS 23 56.843 -2.137 7.938 188 HE3 LYS 23 HE1 LYS 23 56.079 -0.737 7.089 189 HZ1 LYS 23 HZ1 LYS 23 58.992 -1.290 7.318 190 HZ2 LYS 23 HZ2 LYS 23 58.292 0.042 6.530 191 HZ3 LYS 23 HZ3 LYS 23 58.016 -1.531 5.950 192 H ASN 24 HN ASN 24 57.342 5.587 7.606 193 HA ASN 24 HA ASN 24 58.050 5.371 4.958 194 HB2 ASN 24 HB2 ASN 24 59.291 7.138 7.143 195 HB3 ASN 24 HB1 ASN 24 59.599 7.317 5.379 196 HD21 ASN 24 HD21 ASN 24 56.276 8.996 7.018 197 HD22 ASN 24 HD22 ASN 24 57.605 8.372 7.938 198 HA PRO 25 HA PRO 25 62.432 3.897 6.167 199 HB2 PRO 25 HB2 PRO 25 62.500 2.218 8.505 200 HB3 PRO 25 HB1 PRO 25 63.113 3.926 8.414 201 HG2 PRO 25 HG1 PRO 25 60.378 2.930 9.358 202 HG3 PRO 25 HG2 PRO 25 61.441 4.187 10.121 203 HD2 PRO 25 HD1 PRO 25 59.327 4.937 8.567 204 HD3 PRO 25 HD2 PRO 25 60.920 5.784 8.341 205 H SER 26 HN SER 26 63.043 1.997 5.133 206 HA SER 26 HA SER 26 62.835 0.146 4.071 207 HB2 SER 26 HB2 SER 26 61.323 -0.733 6.577 208 HB3 SER 26 HB1 SER 26 61.717 -1.870 5.211 209 HG SER 26 HG1 SER 26 63.820 -1.583 5.604 210 H TYR 27 HN TYR 27 61.641 1.742 2.735 211 HA TYR 27 HA TYR 27 58.837 1.569 2.516 212 HB2 TYR 27 HB2 TYR 27 59.003 3.086 0.756 213 HB3 TYR 27 HB1 TYR 27 60.345 3.575 1.858 214 HD1 TYR 27 HD1 TYR 27 62.640 1.934 1.087 215 HD2 TYR 27 HD2 TYR 27 59.508 3.491 -1.419 216 HE1 TYR 27 HE1 TYR 27 64.053 1.586 -0.892 217 HE2 TYR 27 HE2 TYR 27 60.910 3.142 -3.396 218 HH TYR 27 HH TYR 27 62.883 2.374 -4.199 219 H GLU 28 HN GLU 28 61.531 -0.116 1.379 220 HA GLU 28 HA GLU 28 60.709 -1.342 -0.953 221 HB2 GLU 28 HB2 GLU 28 62.571 -3.058 -0.164 222 HB3 GLU 28 HB1 GLU 28 63.017 -1.374 -0.583 223 HG2 GLU 28 HG2 GLU 28 63.138 -0.679 1.759 224 HG3 GLU 28 HG1 GLU 28 62.507 -2.257 2.338 225 H GLU 29 HN GLU 29 60.117 -2.118 2.505 226 HA GLU 29 HA GLU 29 59.085 -4.715 1.936 227 HB2 GLU 29 HB2 GLU 29 58.849 -2.874 4.367 228 HB3 GLU 29 HB1 GLU 29 58.094 -4.507 4.279 229 HG2 GLU 29 HG2 GLU 29 60.298 -5.578 3.930 230 HG3 GLU 29 HG1 GLU 29 61.120 -3.978 3.952 231 H ALA 30 HN ALA 30 57.736 -1.388 2.129 232 HA ALA 30 HA ALA 30 55.033 -2.323 2.036 233 HB1 ALA 30 HB1 ALA 30 54.439 0.091 1.776 234 HB2 ALA 30 HB2 ALA 30 56.184 0.494 1.545 235 HB3 ALA 30 HB3 ALA 30 55.605 -0.138 3.127 236 H TYR 31 HN TYR 31 57.543 -1.866 -0.335 237 HA TYR 31 HA TYR 31 55.705 -1.517 -2.557 238 HB2 TYR 31 HB2 TYR 31 57.902 -0.441 -2.826 239 HB3 TYR 31 HB1 TYR 31 58.710 -1.831 -2.147 240 HD1 TYR 31 HD1 TYR 31 60.337 -2.133 -3.837 241 HD2 TYR 31 HD2 TYR 31 56.197 -1.983 -4.922 242 HE1 TYR 31 HE1 TYR 31 60.900 -2.996 -6.078 243 HE2 TYR 31 HE2 TYR 31 56.723 -2.924 -7.138 244 HH TYR 31 HH TYR 31 58.348 -3.632 -8.534 245 H LEU 32 HN LEU 32 58.073 -3.983 -1.431 246 HA LEU 32 HA LEU 32 57.400 -5.754 -3.446 247 HB2 LEU 32 HB2 LEU 32 58.919 -6.095 -0.812 248 HB3 LEU 32 HB1 LEU 32 58.896 -7.345 -2.094 249 HG LEU 32 HG LEU 32 59.833 -4.440 -2.579 250 HD11 LEU 32 HD11 LEU 32 61.589 -6.881 -1.853 251 HD12 LEU 32 HD12 LEU 32 61.239 -5.479 -0.776 252 HD13 LEU 32 HD13 LEU 32 62.171 -5.232 -2.299 253 HD21 LEU 32 HD21 LEU 32 61.024 -5.413 -4.545 254 HD22 LEU 32 HD22 LEU 32 59.247 -5.671 -4.656 255 HD23 LEU 32 HD23 LEU 32 60.327 -7.036 -4.180 256 H LYS 33 HN LYS 33 56.126 -5.471 -0.170 257 HA LYS 33 HA LYS 33 54.965 -8.009 0.078 258 HB2 LYS 33 HB2 LYS 33 55.201 -6.395 2.003 259 HB3 LYS 33 HB1 LYS 33 54.051 -5.299 1.216 260 HG2 LYS 33 HG2 LYS 33 52.819 -7.963 1.502 261 HG3 LYS 33 HG1 LYS 33 53.513 -7.442 3.070 262 HD2 LYS 33 HD2 LYS 33 52.263 -5.346 3.029 263 HD3 LYS 33 HD1 LYS 33 51.735 -5.654 1.331 264 HE2 LYS 33 HE2 LYS 33 50.279 -7.465 1.975 265 HE3 LYS 33 HE1 LYS 33 50.855 -7.422 3.702 266 HZ1 LYS 33 HZ1 LYS 33 49.940 -5.203 3.863 267 HZ2 LYS 33 HZ2 LYS 33 48.751 -6.321 3.395 268 HZ3 LYS 33 HZ3 LYS 33 49.416 -5.259 2.250 269 H PHE 34 HN PHE 34 53.719 -4.878 -1.168 270 HA PHE 34 HA PHE 34 51.157 -5.932 -1.895 271 HB2 PHE 34 HB2 PHE 34 52.585 -3.222 -2.323 272 HB3 PHE 34 HB1 PHE 34 50.950 -3.557 -2.975 273 HD1 PHE 34 HD1 PHE 34 49.014 -3.431 -1.515 274 HD2 PHE 34 HD2 PHE 34 52.972 -3.415 0.138 275 HE1 PHE 34 HE1 PHE 34 48.097 -2.838 0.712 276 HE2 PHE 34 HE2 PHE 34 52.076 -2.844 2.336 277 HZ PHE 34 HZ PHE 34 49.640 -2.472 2.638 278 H GLY 35 HN GLY 35 53.282 -3.968 -3.991 279 HA2 GLY 35 HA2 GLY 35 54.591 -5.549 -5.511 280 HA3 GLY 35 HA1 GLY 35 52.937 -5.790 -6.208 281 H ASP 36 HN ASP 36 52.415 -4.470 -7.802 282 HA ASP 36 HA ASP 36 54.119 -2.313 -8.459 283 HB2 ASP 36 HB2 ASP 36 51.449 -3.131 -9.726 284 HB3 ASP 36 HB1 ASP 36 52.691 -2.055 -10.472 285 H LYS 37 HN LYS 37 51.847 -2.368 -6.117 286 HA LYS 37 HA LYS 37 50.185 -0.203 -6.556 287 HB2 LYS 37 HB2 LYS 37 49.852 -2.052 -4.889 288 HB3 LYS 37 HB1 LYS 37 51.199 -1.375 -3.941 289 HG2 LYS 37 HG2 LYS 37 49.050 -0.720 -2.968 290 HG3 LYS 37 HG1 LYS 37 49.947 0.716 -3.560 291 HD2 LYS 37 HD2 LYS 37 47.643 1.043 -3.978 292 HD3 LYS 37 HD1 LYS 37 48.429 0.832 -5.573 293 HE2 LYS 37 HE2 LYS 37 46.900 -1.421 -4.070 294 HE3 LYS 37 HE1 LYS 37 46.119 -0.280 -5.236 295 HZ1 LYS 37 HZ1 LYS 37 48.345 -2.139 -5.866 296 HZ2 LYS 37 HZ2 LYS 37 47.600 -1.058 -6.942 297 HZ3 LYS 37 HZ3 LYS 37 46.706 -2.337 -6.271 298 H LEU 38 HN LEU 38 53.453 -0.475 -5.060 299 HA LEU 38 HA LEU 38 53.450 2.294 -4.244 300 HB2 LEU 38 HB2 LEU 38 54.755 0.430 -2.974 301 HB3 LEU 38 HB1 LEU 38 55.804 0.296 -4.347 302 HG LEU 38 HG LEU 38 55.487 3.091 -3.279 303 HD11 LEU 38 HD11 LEU 38 56.913 0.985 -1.543 304 HD12 LEU 38 HD12 LEU 38 55.383 1.838 -1.134 305 HD13 LEU 38 HD13 LEU 38 56.918 2.767 -1.291 306 HD21 LEU 38 HD21 LEU 38 57.958 1.370 -3.935 307 HD22 LEU 38 HD22 LEU 38 57.963 3.139 -3.554 308 HD23 LEU 38 HD23 LEU 38 57.147 2.537 -5.047 309 H LEU 39 HN LEU 39 54.397 0.494 -7.131 310 HA LEU 39 HA LEU 39 56.130 2.471 -8.133 311 HB2 LEU 39 HB2 LEU 39 54.504 0.363 -9.647 312 HB3 LEU 39 HB1 LEU 39 55.854 1.334 -10.321 313 HG LEU 39 HG LEU 39 56.022 -0.723 -8.037 314 HD11 LEU 39 HD11 LEU 39 55.664 -1.695 -10.305 315 HD12 LEU 39 HD12 LEU 39 57.305 -2.089 -9.660 316 HD13 LEU 39 HD13 LEU 39 57.109 -0.806 -10.917 317 HD21 LEU 39 HD21 LEU 39 57.719 1.026 -7.600 318 HD22 LEU 39 HD22 LEU 39 58.281 0.953 -9.315 319 HD23 LEU 39 HD23 LEU 39 58.523 -0.456 -8.218 320 H GLU 40 HN GLU 40 52.634 1.762 -8.718 321 HA GLU 40 HA GLU 40 52.335 3.800 -10.637 322 HB2 GLU 40 HB2 GLU 40 49.880 3.417 -10.344 323 HB3 GLU 40 HB1 GLU 40 50.805 1.905 -10.675 324 HG2 GLU 40 HG2 GLU 40 50.752 1.402 -8.191 325 HG3 GLU 40 HG1 GLU 40 49.774 2.859 -7.920 326 H TYR 41 HN TYR 41 51.902 3.725 -7.086 327 HA TYR 41 HA TYR 41 50.466 6.208 -7.007 328 HB2 TYR 41 HB2 TYR 41 51.589 4.167 -5.015 329 HB3 TYR 41 HB1 TYR 41 51.248 5.775 -4.400 330 HD1 TYR 41 HD1 TYR 41 48.937 4.612 -7.131 331 HD2 TYR 41 HD2 TYR 41 49.635 4.872 -2.878 332 HE1 TYR 41 HE1 TYR 41 46.597 4.138 -6.723 333 HE2 TYR 41 HE2 TYR 41 47.263 4.347 -2.483 334 HH TYR 41 HH TYR 41 45.245 3.937 -3.412 335 H GLU 42 HN GLU 42 53.778 5.260 -7.185 336 HA GLU 42 HA GLU 42 54.812 7.723 -6.084 337 HB2 GLU 42 HB2 GLU 42 56.077 5.572 -5.978 338 HB3 GLU 42 HB1 GLU 42 56.221 5.584 -7.770 339 HG2 GLU 42 HG2 GLU 42 57.520 7.774 -7.590 340 HG3 GLU 42 HG1 GLU 42 57.376 7.680 -5.794 341 H LEU 43 HN LEU 43 54.115 6.301 -9.283 342 HA LEU 43 HA LEU 43 55.108 8.478 -10.805 343 HB2 LEU 43 HB2 LEU 43 53.223 6.127 -11.387 344 HB3 LEU 43 HB1 LEU 43 53.705 7.287 -12.662 345 HG LEU 43 HG LEU 43 55.710 5.624 -11.033 346 HD11 LEU 43 HD11 LEU 43 54.541 5.020 -13.821 347 HD12 LEU 43 HD12 LEU 43 54.200 4.112 -12.299 348 HD13 LEU 43 HD13 LEU 43 55.863 4.109 -12.995 349 HD21 LEU 43 HD21 LEU 43 57.298 6.166 -12.880 350 HD22 LEU 43 HD22 LEU 43 56.727 7.653 -12.043 351 HD23 LEU 43 HD23 LEU 43 56.049 7.211 -13.656 352 H LEU 44 HN LEU 44 52.157 7.837 -9.056 353 HA LEU 44 HA LEU 44 50.471 9.562 -10.559 354 HB2 LEU 44 HB2 LEU 44 49.557 7.606 -9.488 355 HB3 LEU 44 HB1 LEU 44 50.228 8.113 -7.913 356 HG LEU 44 HG LEU 44 48.633 9.890 -7.686 357 HD11 LEU 44 HD11 LEU 44 48.432 10.719 -10.036 358 HD12 LEU 44 HD12 LEU 44 46.807 10.334 -9.370 359 HD13 LEU 44 HD13 LEU 44 47.600 9.194 -10.520 360 HD21 LEU 44 HD21 LEU 44 46.512 8.590 -7.594 361 HD22 LEU 44 HD22 LEU 44 47.918 7.612 -7.024 362 HD23 LEU 44 HD23 LEU 44 47.228 7.328 -8.665 363 H GLY 45 HN GLY 45 51.315 9.716 -7.018 364 HA2 GLY 45 HA2 GLY 45 52.859 11.641 -6.614 365 HA3 GLY 45 HA1 GLY 45 51.497 12.632 -7.279 366 H LYS 46 HN LYS 46 50.981 9.665 -5.421 367 HA LYS 46 HA LYS 46 49.620 11.151 -3.332 368 HB2 LYS 46 HB2 LYS 46 49.966 8.190 -3.917 369 HB3 LYS 46 HB1 LYS 46 49.216 8.815 -2.402 370 HG2 LYS 46 HG2 LYS 46 47.570 10.120 -3.753 371 HG3 LYS 46 HG1 LYS 46 48.212 9.379 -5.260 372 HD2 LYS 46 HD2 LYS 46 47.497 7.148 -4.528 373 HD3 LYS 46 HD1 LYS 46 47.092 7.767 -2.884 374 HE2 LYS 46 HE2 LYS 46 45.306 9.226 -3.835 375 HE3 LYS 46 HE1 LYS 46 45.667 8.606 -5.496 376 HZ1 LYS 46 HZ1 LYS 46 43.811 7.472 -4.508 377 HZ2 LYS 46 HZ2 LYS 46 44.745 6.984 -3.177 378 HZ3 LYS 46 HZ3 LYS 46 45.102 6.391 -4.727 379 H ILE 47 HN ILE 47 52.346 8.933 -3.895 380 HA ILE 47 HA ILE 47 53.694 9.757 -1.412 381 HB ILE 47 HB ILE 47 54.928 7.593 -1.692 382 HG12 ILE 47 HG12 ILE 47 52.561 7.003 -3.592 383 HG13 ILE 47 HG11 ILE 47 54.255 7.274 -4.119 384 HG21 ILE 47 HG21 ILE 47 53.109 7.981 0.013 385 HG22 ILE 47 HG22 ILE 47 53.216 6.279 -0.572 386 HG23 ILE 47 HG23 ILE 47 51.895 7.348 -1.174 387 HD11 ILE 47 HD1 ILE 47 54.988 5.369 -2.804 388 HD12 ILE 47 HD2 ILE 47 53.793 4.865 -4.053 389 HD13 ILE 47 HD3 ILE 47 53.309 4.964 -2.316 390 H LYS 48 HN LYS 48 56.123 9.684 -1.745 391 HA LYS 48 HA LYS 48 56.974 9.731 -4.511 392 HB2 LYS 48 HB2 LYS 48 57.883 11.861 -2.453 393 HB3 LYS 48 HB1 LYS 48 58.445 11.752 -4.153 394 HG2 LYS 48 HG2 LYS 48 56.167 12.358 -4.958 395 HG3 LYS 48 HG1 LYS 48 55.579 12.469 -3.265 396 HD2 LYS 48 HD2 LYS 48 57.780 14.206 -4.544 397 HD3 LYS 48 HD1 LYS 48 56.080 14.702 -4.238 398 HE2 LYS 48 HE2 LYS 48 58.202 14.020 -2.084 399 HE3 LYS 48 HE1 LYS 48 57.571 15.658 -2.508 400 HZ1 LYS 48 HZ1 LYS 48 55.979 13.404 -1.403 401 HZ2 LYS 48 HZ2 LYS 48 55.391 14.949 -1.796 402 HZ3 LYS 48 HZ3 LYS 48 56.534 14.766 -0.552 403 H ARG 49 HN ARG 49 59.400 9.512 -4.598 404 HA ARG 49 HA ARG 49 60.704 8.839 -2.117 405 HB2 ARG 49 HB2 ARG 49 59.774 6.635 -2.783 406 HB3 ARG 49 HB1 ARG 49 60.537 6.773 -4.392 407 HG2 ARG 49 HG2 ARG 49 62.278 7.056 -1.899 408 HG3 ARG 49 HG1 ARG 49 61.606 5.446 -2.248 409 HD2 ARG 49 HD2 ARG 49 63.410 7.066 -4.191 410 HD3 ARG 49 HD1 ARG 49 63.933 5.711 -3.129 411 HE ARG 49 HE ARG 49 62.512 4.170 -4.374 412 HH11 ARG 49 HH11 ARG 49 61.925 3.424 -6.478 413 HH12 ARG 49 HH12 ARG 49 61.888 4.519 -7.819 414 HH21 ARG 49 HH21 ARG 49 62.880 7.372 -5.951 415 HH22 ARG 49 HH22 ARG 49 62.438 6.781 -7.517 416 H ILE 50 HN ILE 50 62.945 9.422 -2.353 417 HA ILE 50 HA ILE 50 63.927 9.917 -4.997 418 HB ILE 50 HB ILE 50 62.678 11.961 -4.735 419 HG12 ILE 50 HG12 ILE 50 64.460 13.679 -4.877 420 HG13 ILE 50 HG11 ILE 50 65.682 12.500 -4.310 421 HG21 ILE 50 HG21 ILE 50 64.173 12.450 -2.084 422 HG22 ILE 50 HG22 ILE 50 62.442 11.957 -2.247 423 HG23 ILE 50 HG23 ILE 50 62.996 13.541 -2.891 424 HD11 ILE 50 HD1 ILE 50 65.289 11.098 -6.362 425 HD12 ILE 50 HD2 ILE 50 65.693 12.792 -6.813 426 HD13 ILE 50 HD3 ILE 50 63.982 12.227 -6.887 427 H ASN 51 HN ASN 51 64.347 10.193 -1.436 428 HA ASN 51 HA ASN 51 67.176 10.375 -1.670 429 HB2 ASN 51 HB2 ASN 51 65.892 11.475 0.188 430 HB3 ASN 51 HB1 ASN 51 65.371 9.874 0.792 431 HD21 ASN 51 HD21 ASN 51 69.378 11.094 1.202 432 HD22 ASN 51 HD22 ASN 51 68.412 11.696 -0.103 433 H HIS 52 HN HIS 52 65.213 7.995 0.194 434 HA HIS 52 HA HIS 52 66.471 5.772 -1.170 435 HB2 HIS 52 HB2 HIS 52 68.052 6.169 0.755 436 HB3 HIS 52 HB1 HIS 52 66.658 6.264 1.879 437 HD1 HIS 52 HD1 HIS 52 67.956 4.280 3.126 438 HD2 HIS 52 HD2 HIS 52 66.356 3.244 -0.615 439 HE1 HIS 52 HE1 HIS 52 67.883 1.749 3.009 440 HE2 HIS 52 HE2 HIS 52 66.911 1.169 0.743 441 H ILE 53 HN ILE 53 64.327 7.161 1.377 442 HA ILE 53 HA ILE 53 62.614 4.792 1.169 443 HB ILE 53 HB ILE 53 61.799 5.352 3.372 444 HG12 ILE 53 HG12 ILE 53 64.134 7.361 3.563 445 HG13 ILE 53 HG11 ILE 53 62.421 7.837 3.289 446 HG21 ILE 53 HG21 ILE 53 63.571 3.648 2.927 447 HG22 ILE 53 HG22 ILE 53 63.785 4.421 4.535 448 HG23 ILE 53 HG23 ILE 53 64.848 4.899 3.167 449 HD11 ILE 53 HD1 ILE 53 61.766 6.569 5.368 450 HD12 ILE 53 HD2 ILE 53 62.823 8.008 5.679 451 HD13 ILE 53 HD3 ILE 53 63.515 6.342 5.752 452 H VAL 54 HN VAL 54 60.292 5.345 1.726 453 HA VAL 54 HA VAL 54 59.517 7.256 -0.215 454 HB VAL 54 HB VAL 54 58.501 4.974 0.064 455 HG11 VAL 54 HG11 VAL 54 58.404 4.968 2.595 456 HG12 VAL 54 HG12 VAL 54 56.834 4.551 1.820 457 HG13 VAL 54 HG13 VAL 54 57.072 6.185 2.529 458 HG21 VAL 54 HG21 VAL 54 56.530 7.329 0.147 459 HG22 VAL 54 HG22 VAL 54 56.176 5.654 -0.406 460 HG23 VAL 54 HG23 VAL 54 57.379 6.645 -1.298 461 H VAL 55 HN VAL 55 58.168 9.119 0.220 462 HA VAL 55 HA VAL 55 57.747 9.816 3.029 463 HB VAL 55 HB VAL 55 57.956 12.230 2.420 464 HG11 VAL 55 HG11 VAL 55 60.531 10.555 2.053 465 HG12 VAL 55 HG12 VAL 55 59.762 10.983 3.628 466 HG13 VAL 55 HG13 VAL 55 60.435 12.278 2.569 467 HG21 VAL 55 HG21 VAL 55 59.250 11.149 -0.188 468 HG22 VAL 55 HG22 VAL 55 59.240 12.861 0.360 469 HG23 VAL 55 HG23 VAL 55 57.696 12.059 -0.074 470 H LEU 56 HN LEU 56 55.645 10.743 3.332 471 HA LEU 56 HA LEU 56 53.838 10.220 1.129 472 HB2 LEU 56 HB2 LEU 56 53.147 11.374 3.886 473 HB3 LEU 56 HB1 LEU 56 52.041 10.667 2.660 474 HG LEU 56 HG LEU 56 53.738 8.535 3.054 475 HD11 LEU 56 HD11 LEU 56 54.241 8.275 5.468 476 HD12 LEU 56 HD12 LEU 56 53.559 9.906 5.823 477 HD13 LEU 56 HD13 LEU 56 55.062 9.746 4.845 478 HD21 LEU 56 HD21 LEU 56 51.283 9.191 4.790 479 HD22 LEU 56 HD22 LEU 56 52.000 7.555 4.515 480 HD23 LEU 56 HD23 LEU 56 51.268 8.458 3.137 481 H ALA 57 HN ALA 57 52.475 11.944 0.265 482 HA ALA 57 HA ALA 57 53.839 14.411 -0.031 483 HB1 ALA 57 HB1 ALA 57 52.424 13.505 -1.863 484 HB2 ALA 57 HB2 ALA 57 51.840 15.129 -1.354 485 HB3 ALA 57 HB3 ALA 57 50.966 13.641 -0.819 486 H HIS 58 HN HIS 58 50.773 13.432 1.628 487 HA HIS 58 HA HIS 58 50.547 16.031 2.876 488 HB2 HIS 58 HB2 HIS 58 48.868 13.478 3.240 489 HB3 HIS 58 HB1 HIS 58 48.514 15.085 3.967 490 HD1 HIS 58 HD1 HIS 58 48.740 13.445 0.519 491 HD2 HIS 58 HD2 HIS 58 47.075 16.827 2.368 492 HE1 HIS 58 HE1 HIS 58 47.259 14.587 -1.190 493 HE2 HIS 58 HE2 HIS 58 46.279 16.620 -0.038 494 H HIS 59 HN HIS 59 50.756 16.387 5.130 495 HA HIS 59 HA HIS 59 51.947 14.212 6.704 496 HB2 HIS 59 HB2 HIS 59 52.905 17.135 6.591 497 HB3 HIS 59 HB1 HIS 59 53.499 15.881 7.743 498 HD1 HIS 59 HD1 HIS 59 54.469 13.634 6.335 499 HD2 HIS 59 HD2 HIS 59 54.481 17.329 4.345 500 HE1 HIS 59 HE1 HIS 59 56.106 13.448 4.409 501 HE2 HIS 59 HE2 HIS 59 56.080 15.693 3.236 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 22.941 4.487 10.484 2 H2 MET 1 HT2 MET 1 21.891 3.156 10.379 3 H3 MET 1 HT3 MET 1 21.376 4.688 9.854 4 HA MET 1 HA MET 1 21.888 3.272 8.027 5 HB2 MET 1 HB2 MET 1 22.247 5.761 7.909 6 HB3 MET 1 HB1 MET 1 23.967 5.541 8.342 7 HG2 MET 1 HG2 MET 1 22.619 4.263 5.876 8 HG3 MET 1 HG1 MET 1 23.296 5.916 5.872 9 HE1 MET 1 HE1 MET 1 24.593 5.348 3.752 10 HE2 MET 1 HE2 MET 1 23.960 3.666 3.799 11 HE3 MET 1 HE3 MET 1 25.717 3.958 3.562 12 H LEU 2 HN LEU 2 25.081 4.169 9.534 13 HA LEU 2 HA LEU 2 26.225 1.704 8.605 14 HB2 LEU 2 HB2 LEU 2 27.521 3.880 8.636 15 HB3 LEU 2 HB1 LEU 2 27.413 3.869 10.424 16 HG LEU 2 HG LEU 2 28.648 1.642 10.419 17 HD11 LEU 2 HD11 LEU 2 29.080 2.233 7.421 18 HD12 LEU 2 HD12 LEU 2 28.174 0.837 8.119 19 HD13 LEU 2 HD13 LEU 2 29.946 0.979 8.385 20 HD21 LEU 2 HD21 LEU 2 29.812 3.783 10.877 21 HD22 LEU 2 HD22 LEU 2 30.139 4.001 9.114 22 HD23 LEU 2 HD23 LEU 2 30.886 2.622 10.010 23 H LYS 3 HN LYS 3 26.674 -0.097 9.866 24 HA LYS 3 HA LYS 3 25.960 -0.036 12.700 25 HB2 LYS 3 HB2 LYS 3 23.912 -0.617 11.257 26 HB3 LYS 3 HB1 LYS 3 24.753 -2.124 10.790 27 HG2 LYS 3 HG2 LYS 3 24.277 -1.253 13.712 28 HG3 LYS 3 HG1 LYS 3 23.026 -2.124 12.766 29 HD2 LYS 3 HD2 LYS 3 24.404 -4.085 12.497 30 HD3 LYS 3 HD1 LYS 3 25.835 -3.297 13.230 31 HE2 LYS 3 HE2 LYS 3 23.186 -3.821 14.721 32 HE3 LYS 3 HE1 LYS 3 24.674 -4.859 14.822 33 HZ1 LYS 3 HZ1 LYS 3 25.868 -2.967 15.680 34 HZ2 LYS 3 HZ2 LYS 3 24.518 -3.329 16.646 35 HZ3 LYS 3 HZ3 LYS 3 24.477 -1.996 15.593 36 H ASP 4 HN ASP 4 27.780 -0.752 13.617 37 HA ASP 4 HA ASP 4 29.443 -2.671 12.169 38 HB2 ASP 4 HB2 ASP 4 31.249 -2.103 13.748 39 HB3 ASP 4 HB1 ASP 4 30.677 -0.661 12.851 40 H TYR 5 HN TYR 5 30.338 -4.476 13.382 41 HA TYR 5 HA TYR 5 28.431 -5.533 15.355 42 HB2 TYR 5 HB2 TYR 5 30.208 -7.025 13.374 43 HB3 TYR 5 HB1 TYR 5 29.034 -7.775 14.532 44 HD1 TYR 5 HD1 TYR 5 26.576 -7.171 14.306 45 HD2 TYR 5 HD2 TYR 5 29.462 -6.191 11.272 46 HE1 TYR 5 HE1 TYR 5 24.750 -6.830 12.682 47 HE2 TYR 5 HE2 TYR 5 27.640 -5.833 9.650 48 HH TYR 5 HH TYR 5 25.417 -5.829 9.294 49 H HIS 6 HN HIS 6 30.820 -7.599 15.284 50 HA HIS 6 HA HIS 6 32.102 -6.651 17.651 51 HB2 HIS 6 HB2 HIS 6 31.508 -9.083 17.066 52 HB3 HIS 6 HB1 HIS 6 32.815 -9.063 15.861 53 HD1 HIS 6 HD1 HIS 6 32.480 -8.311 19.621 54 HD2 HIS 6 HD2 HIS 6 35.233 -9.929 16.896 55 HE1 HIS 6 HE1 HIS 6 34.486 -9.099 20.954 56 HE2 HIS 6 HE2 HIS 6 36.123 -10.060 19.275 57 H LEU 7 HN LEU 7 32.706 -6.762 14.227 58 HA LEU 7 HA LEU 7 35.443 -6.687 14.156 59 HB2 LEU 7 HB2 LEU 7 35.380 -6.305 11.882 60 HB3 LEU 7 HB1 LEU 7 33.816 -7.118 12.212 61 HG LEU 7 HG LEU 7 34.247 -4.102 11.737 62 HD11 LEU 7 HD11 LEU 7 33.000 -6.246 9.912 63 HD12 LEU 7 HD12 LEU 7 34.626 -5.486 9.705 64 HD13 LEU 7 HD13 LEU 7 33.134 -4.482 9.562 65 HD21 LEU 7 HD21 LEU 7 32.275 -4.433 13.207 66 HD22 LEU 7 HD22 LEU 7 31.615 -5.675 12.075 67 HD23 LEU 7 HD23 LEU 7 31.754 -3.954 11.553 68 H LYS 8 HN LYS 8 36.943 -4.959 13.423 69 HA LYS 8 HA LYS 8 36.537 -2.715 15.192 70 HB2 LYS 8 HB2 LYS 8 38.598 -4.128 15.287 71 HB3 LYS 8 HB1 LYS 8 39.043 -3.588 13.646 72 HG2 LYS 8 HG2 LYS 8 39.082 -1.184 14.548 73 HG3 LYS 8 HG1 LYS 8 38.718 -1.842 16.181 74 HD2 LYS 8 HD2 LYS 8 40.829 -3.188 16.102 75 HD3 LYS 8 HD1 LYS 8 41.194 -2.536 14.468 76 HE2 LYS 8 HE2 LYS 8 40.953 -0.852 17.062 77 HE3 LYS 8 HE1 LYS 8 42.498 -1.354 16.262 78 HZ1 LYS 8 HZ1 LYS 8 40.384 0.362 15.067 79 HZ2 LYS 8 HZ2 LYS 8 41.830 -0.112 14.316 80 HZ3 LYS 8 HZ3 LYS 8 41.876 0.878 15.694 81 H GLU 9 HN GLU 9 38.574 -2.419 12.324 82 HA GLU 9 HA GLU 9 36.897 -0.236 11.347 83 HB2 GLU 9 HB2 GLU 9 39.054 0.678 10.433 84 HB3 GLU 9 HB1 GLU 9 39.034 0.544 12.216 85 HG2 GLU 9 HG2 GLU 9 40.392 -1.507 12.189 86 HG3 GLU 9 HG1 GLU 9 40.338 -1.572 10.391 87 H MET 10 HN MET 10 38.488 -0.159 8.877 88 HA MET 10 HA MET 10 37.659 -2.657 7.563 89 HB2 MET 10 HB2 MET 10 38.184 0.139 6.479 90 HB3 MET 10 HB1 MET 10 38.006 -1.325 5.438 91 HG2 MET 10 HG2 MET 10 35.733 -1.712 6.285 92 HG3 MET 10 HG1 MET 10 35.899 -0.373 7.459 93 HE1 MET 10 HE1 MET 10 33.152 0.923 5.055 94 HE2 MET 10 HE2 MET 10 33.657 0.583 6.745 95 HE3 MET 10 HE3 MET 10 33.465 -0.768 5.575 96 HA PRO 11 HA PRO 11 42.241 -2.646 7.781 97 HB2 PRO 11 HB2 PRO 11 42.694 -5.382 7.881 98 HB3 PRO 11 HB1 PRO 11 42.058 -4.469 9.303 99 HG2 PRO 11 HG1 PRO 11 40.441 -6.054 7.236 100 HG3 PRO 11 HG2 PRO 11 40.356 -6.163 9.045 101 HD2 PRO 11 HD1 PRO 11 38.622 -4.588 7.535 102 HD3 PRO 11 HD2 PRO 11 39.174 -4.060 9.188 103 H GLU 12 HN GLU 12 40.013 -3.409 5.377 104 HA GLU 12 HA GLU 12 41.973 -4.499 3.498 105 HB2 GLU 12 HB2 GLU 12 38.917 -4.240 3.328 106 HB3 GLU 12 HB1 GLU 12 39.983 -5.000 2.084 107 HG2 GLU 12 HG2 GLU 12 40.695 -6.732 3.759 108 HG3 GLU 12 HG1 GLU 12 39.596 -6.003 4.988 109 H MET 13 HN MET 13 42.742 -2.016 3.983 110 HA MET 13 HA MET 13 41.490 -0.278 1.976 111 HB2 MET 13 HB2 MET 13 43.565 0.330 4.152 112 HB3 MET 13 HB1 MET 13 42.957 1.513 2.937 113 HG2 MET 13 HG2 MET 13 40.633 1.202 3.806 114 HG3 MET 13 HG1 MET 13 41.258 0.094 5.064 115 HE1 MET 13 HE1 MET 13 40.027 1.540 6.894 116 HE2 MET 13 HE2 MET 13 39.421 2.571 5.552 117 HE3 MET 13 HE3 MET 13 40.152 3.326 7.010 118 H GLU 14 HN GLU 14 43.160 0.994 0.650 119 HA GLU 14 HA GLU 14 45.585 -0.456 0.063 120 HB2 GLU 14 HB2 GLU 14 44.968 -0.989 -2.254 121 HB3 GLU 14 HB1 GLU 14 43.774 -1.744 -1.146 122 HG2 GLU 14 HG2 GLU 14 42.114 0.055 -1.614 123 HG3 GLU 14 HG1 GLU 14 43.280 0.892 -2.698 124 H ASP 15 HN ASP 15 43.405 2.208 -0.098 125 HA ASP 15 HA ASP 15 45.193 3.754 -1.786 126 HB2 ASP 15 HB2 ASP 15 43.630 5.520 -1.780 127 HB3 ASP 15 HB1 ASP 15 42.764 4.003 -2.170 128 H GLU 16 HN GLU 16 44.533 3.043 1.542 129 HA GLU 16 HA GLU 16 45.838 5.149 2.827 130 HB2 GLU 16 HB2 GLU 16 44.482 3.371 3.987 131 HB3 GLU 16 HB1 GLU 16 45.701 2.148 3.502 132 HG2 GLU 16 HG2 GLU 16 47.440 3.425 4.902 133 HG3 GLU 16 HG1 GLU 16 46.122 4.539 5.421 134 H PHE 17 HN PHE 17 46.940 2.067 1.336 135 HA PHE 17 HA PHE 17 49.644 2.252 1.897 136 HB2 PHE 17 HB2 PHE 17 48.558 0.160 1.099 137 HB3 PHE 17 HB1 PHE 17 48.143 0.944 -0.449 138 HD1 PHE 17 HD1 PHE 17 50.989 -0.260 1.634 139 HD2 PHE 17 HD2 PHE 17 49.707 1.092 -2.227 140 HE1 PHE 17 HE1 PHE 17 53.129 -1.037 0.658 141 HE2 PHE 17 HE2 PHE 17 51.890 0.381 -3.189 142 HZ PHE 17 HZ PHE 17 53.604 -0.612 -1.733 143 H LEU 18 HN LEU 18 47.683 3.628 -0.798 144 HA LEU 18 HA LEU 18 49.891 4.414 -2.335 145 HB2 LEU 18 HB2 LEU 18 46.913 5.058 -2.306 146 HB3 LEU 18 HB1 LEU 18 47.960 5.916 -3.446 147 HG LEU 18 HG LEU 18 47.742 2.856 -3.242 148 HD11 LEU 18 HD11 LEU 18 46.416 4.741 -5.291 149 HD12 LEU 18 HD12 LEU 18 45.576 3.843 -3.972 150 HD13 LEU 18 HD13 LEU 18 46.371 2.937 -5.311 151 HD21 LEU 18 HD21 LEU 18 49.921 3.543 -4.233 152 HD22 LEU 18 HD22 LEU 18 49.067 4.608 -5.412 153 HD23 LEU 18 HD23 LEU 18 48.857 2.819 -5.479 154 H GLU 19 HN GLU 19 48.412 5.947 0.471 155 HA GLU 19 HA GLU 19 49.500 8.567 -0.271 156 HB2 GLU 19 HB2 GLU 19 47.905 7.593 2.173 157 HB3 GLU 19 HB1 GLU 19 48.453 9.290 1.902 158 HG2 GLU 19 HG2 GLU 19 47.113 9.383 -0.213 159 HG3 GLU 19 HG1 GLU 19 46.486 7.735 0.091 160 H TYR 20 HN TYR 20 50.183 5.704 1.578 161 HA TYR 20 HA TYR 20 52.017 6.873 3.450 162 HB2 TYR 20 HB2 TYR 20 51.202 4.056 2.521 163 HB3 TYR 20 HB1 TYR 20 52.588 4.216 3.556 164 HD1 TYR 20 HD1 TYR 20 49.521 6.368 4.016 165 HD2 TYR 20 HD2 TYR 20 52.004 3.198 5.489 166 HE1 TYR 20 HE1 TYR 20 48.294 6.411 6.151 167 HE2 TYR 20 HE2 TYR 20 50.778 3.220 7.632 168 HH TYR 20 HH TYR 20 48.054 5.496 8.200 169 H CYS 21 HN CYS 21 51.987 5.627 0.248 170 HA CYS 21 HA CYS 21 54.647 4.768 0.210 171 HB2 CYS 21 HB2 CYS 21 52.734 5.402 -2.100 172 HB3 CYS 21 HB1 CYS 21 54.427 4.930 -2.423 173 HG CYS 21 HG1 CYS 21 54.451 2.733 -1.170 174 H ALA 22 HN ALA 22 53.363 7.870 0.307 175 HA ALA 22 HA ALA 22 55.154 9.356 -1.272 176 HB1 ALA 22 HB1 ALA 22 53.505 10.148 1.207 177 HB2 ALA 22 HB2 ALA 22 52.915 10.181 -0.493 178 HB3 ALA 22 HB3 ALA 22 54.246 11.292 0.016 179 H LYS 23 HN LYS 23 55.555 7.559 1.618 180 HA LYS 23 HA LYS 23 58.051 8.888 2.314 181 HB2 LYS 23 HB2 LYS 23 56.625 7.960 4.219 182 HB3 LYS 23 HB1 LYS 23 56.774 6.339 3.480 183 HG2 LYS 23 HG2 LYS 23 59.423 6.912 3.630 184 HG3 LYS 23 HG1 LYS 23 58.877 8.049 4.900 185 HD2 LYS 23 HD2 LYS 23 58.361 5.001 4.776 186 HD3 LYS 23 HD1 LYS 23 59.630 5.814 5.757 187 HE2 LYS 23 HE2 LYS 23 57.852 6.984 7.107 188 HE3 LYS 23 HE1 LYS 23 56.570 6.139 6.145 189 HZ1 LYS 23 HZ1 LYS 23 58.667 4.830 7.796 190 HZ2 LYS 23 HZ2 LYS 23 57.463 4.043 6.896 191 HZ3 LYS 23 HZ3 LYS 23 57.033 5.031 8.208 192 H ASN 24 HN ASN 24 58.802 8.588 0.196 193 HA ASN 24 HA ASN 24 59.093 6.097 -1.020 194 HB2 ASN 24 HB2 ASN 24 60.720 8.653 -1.532 195 HB3 ASN 24 HB1 ASN 24 60.723 7.191 -2.570 196 HD21 ASN 24 HD21 ASN 24 57.334 7.671 -3.809 197 HD22 ASN 24 HD22 ASN 24 58.464 6.441 -3.347 198 HA PRO 25 HA PRO 25 63.511 5.913 0.757 199 HB2 PRO 25 HB2 PRO 25 63.824 7.094 3.352 200 HB3 PRO 25 HB1 PRO 25 64.459 7.771 1.793 201 HG2 PRO 25 HG1 PRO 25 61.835 8.435 3.220 202 HG3 PRO 25 HG2 PRO 25 63.020 9.577 2.455 203 HD2 PRO 25 HD1 PRO 25 60.757 8.853 1.114 204 HD3 PRO 25 HD2 PRO 25 62.338 8.867 0.214 205 H SER 26 HN SER 26 63.768 3.928 1.630 206 HA SER 26 HA SER 26 63.423 2.103 2.721 207 HB2 SER 26 HB2 SER 26 62.635 3.992 4.992 208 HB3 SER 26 HB1 SER 26 62.813 2.195 5.206 209 HG SER 26 HG1 SER 26 64.676 3.349 5.720 210 H TYR 27 HN TYR 27 61.867 1.618 1.104 211 HA TYR 27 HA TYR 27 59.099 2.059 1.564 212 HB2 TYR 27 HB2 TYR 27 58.765 0.801 -0.507 213 HB3 TYR 27 HB1 TYR 27 60.098 2.009 -0.702 214 HD1 TYR 27 HD1 TYR 27 59.456 -1.681 -0.164 215 HD2 TYR 27 HD2 TYR 27 62.076 1.378 -1.565 216 HE1 TYR 27 HE1 TYR 27 60.991 -3.418 -0.997 217 HE2 TYR 27 HE2 TYR 27 63.696 -0.348 -2.342 218 HH TYR 27 HH TYR 27 62.968 -3.852 -2.003 219 H GLU 28 HN GLU 28 61.344 -0.077 2.642 220 HA GLU 28 HA GLU 28 60.224 -2.577 2.662 221 HB2 GLU 28 HB2 GLU 28 61.999 -1.721 4.991 222 HB3 GLU 28 HB1 GLU 28 62.060 -3.209 3.984 223 HG2 GLU 28 HG2 GLU 28 62.945 -1.717 2.064 224 HG3 GLU 28 HG1 GLU 28 62.924 -0.329 3.236 225 H GLU 29 HN GLU 29 60.037 0.125 4.996 226 HA GLU 29 HA GLU 29 58.612 -1.234 7.004 227 HB2 GLU 29 HB2 GLU 29 58.812 1.742 6.261 228 HB3 GLU 29 HB1 GLU 29 58.088 1.126 7.793 229 HG2 GLU 29 HG2 GLU 29 60.251 0.195 8.521 230 HG3 GLU 29 HG1 GLU 29 61.014 0.597 6.942 231 H ALA 30 HN ALA 30 57.736 0.318 3.964 232 HA ALA 30 HA ALA 30 54.908 0.479 4.679 233 HB1 ALA 30 HB1 ALA 30 56.311 1.178 2.036 234 HB2 ALA 30 HB2 ALA 30 55.906 2.340 3.348 235 HB3 ALA 30 HB3 ALA 30 54.586 1.511 2.450 236 H TYR 31 HN TYR 31 57.081 -1.832 3.291 237 HA TYR 31 HA TYR 31 55.084 -3.190 1.674 238 HB2 TYR 31 HB2 TYR 31 57.382 -3.289 0.796 239 HB3 TYR 31 HB1 TYR 31 58.033 -3.495 2.401 240 HD1 TYR 31 HD1 TYR 31 55.329 -5.524 0.765 241 HD2 TYR 31 HD2 TYR 31 59.375 -5.400 2.158 242 HE1 TYR 31 HE1 TYR 31 55.451 -7.977 0.562 243 HE2 TYR 31 HE2 TYR 31 59.555 -7.844 1.873 244 HH TYR 31 HH TYR 31 56.756 -9.809 0.757 245 H LEU 32 HN LEU 32 57.115 -3.783 4.565 246 HA LEU 32 HA LEU 32 56.036 -6.276 5.093 247 HB2 LEU 32 HB2 LEU 32 57.655 -4.289 6.771 248 HB3 LEU 32 HB1 LEU 32 57.361 -5.979 7.282 249 HG LEU 32 HG LEU 32 58.690 -5.231 4.593 250 HD11 LEU 32 HD11 LEU 32 60.112 -5.878 7.262 251 HD12 LEU 32 HD12 LEU 32 60.042 -4.260 6.470 252 HD13 LEU 32 HD13 LEU 32 60.900 -5.621 5.659 253 HD21 LEU 32 HD21 LEU 32 57.802 -7.550 4.676 254 HD22 LEU 32 HD22 LEU 32 58.704 -7.865 6.207 255 HD23 LEU 32 HD23 LEU 32 59.601 -7.551 4.674 256 H LYS 33 HN LYS 33 55.038 -3.091 6.157 257 HA LYS 33 HA LYS 33 53.531 -3.883 8.417 258 HB2 LYS 33 HB2 LYS 33 54.271 -1.510 8.031 259 HB3 LYS 33 HB1 LYS 33 53.236 -1.423 6.591 260 HG2 LYS 33 HG2 LYS 33 51.646 -2.264 8.942 261 HG3 LYS 33 HG1 LYS 33 52.595 -0.792 9.328 262 HD2 LYS 33 HD2 LYS 33 51.697 0.388 7.376 263 HD3 LYS 33 HD1 LYS 33 50.875 -1.119 6.815 264 HE2 LYS 33 HE2 LYS 33 49.301 -1.072 8.661 265 HE3 LYS 33 HE1 LYS 33 50.154 0.329 9.450 266 HZ1 LYS 33 HZ1 LYS 33 48.804 0.341 6.798 267 HZ2 LYS 33 HZ2 LYS 33 49.588 1.657 7.531 268 HZ3 LYS 33 HZ3 LYS 33 48.196 0.995 8.242 269 H PHE 34 HN PHE 34 52.738 -3.234 4.961 270 HA PHE 34 HA PHE 34 49.960 -3.867 5.303 271 HB2 PHE 34 HB2 PHE 34 51.718 -3.138 2.870 272 HB3 PHE 34 HB1 PHE 34 49.998 -3.594 2.701 273 HD1 PHE 34 HD1 PHE 34 48.270 -1.982 3.116 274 HD2 PHE 34 HD2 PHE 34 52.285 -1.197 4.407 275 HE1 PHE 34 HE1 PHE 34 47.644 0.349 3.685 276 HE2 PHE 34 HE2 PHE 34 51.670 1.087 5.005 277 HZ PHE 34 HZ PHE 34 49.365 1.919 4.572 278 H GLY 35 HN GLY 35 52.025 -5.084 2.666 279 HA2 GLY 35 HA2 GLY 35 53.081 -7.252 3.566 280 HA3 GLY 35 HA1 GLY 35 51.403 -7.847 3.202 281 H ASP 36 HN ASP 36 51.225 -8.696 1.225 282 HA ASP 36 HA ASP 36 53.161 -8.253 -0.747 283 HB2 ASP 36 HB2 ASP 36 51.823 -9.754 -2.180 284 HB3 ASP 36 HB1 ASP 36 52.074 -10.440 -0.544 285 H LYS 37 HN LYS 37 50.841 -6.141 0.156 286 HA LYS 37 HA LYS 37 49.594 -5.196 -2.093 287 HB2 LYS 37 HB2 LYS 37 49.097 -4.617 0.307 288 HB3 LYS 37 HB1 LYS 37 50.597 -3.666 0.340 289 HG2 LYS 37 HG2 LYS 37 48.638 -2.211 0.051 290 HG3 LYS 37 HG1 LYS 37 49.724 -2.121 -1.378 291 HD2 LYS 37 HD2 LYS 37 47.388 -2.058 -2.053 292 HD3 LYS 37 HD1 LYS 37 48.192 -3.530 -2.699 293 HE2 LYS 37 HE2 LYS 37 47.085 -4.909 -0.877 294 HE3 LYS 37 HE1 LYS 37 46.280 -3.408 -0.258 295 HZ1 LYS 37 HZ1 LYS 37 45.205 -3.181 -2.396 296 HZ2 LYS 37 HZ2 LYS 37 44.857 -4.686 -1.689 297 HZ3 LYS 37 HZ3 LYS 37 45.967 -4.588 -2.970 298 H LEU 38 HN LEU 38 52.867 -4.493 -0.762 299 HA LEU 38 HA LEU 38 53.384 -2.444 -2.718 300 HB2 LEU 38 HB2 LEU 38 54.459 -2.472 -0.351 301 HB3 LEU 38 HB1 LEU 38 55.341 -3.890 -0.812 302 HG LEU 38 HG LEU 38 55.603 -1.575 -2.718 303 HD11 LEU 38 HD11 LEU 38 56.816 -1.325 0.098 304 HD12 LEU 38 HD12 LEU 38 55.469 -0.329 -0.558 305 HD13 LEU 38 HD13 LEU 38 57.100 -0.238 -1.312 306 HD21 LEU 38 HD21 LEU 38 56.985 -3.629 -2.953 307 HD22 LEU 38 HD22 LEU 38 57.666 -3.377 -1.301 308 HD23 LEU 38 HD23 LEU 38 58.026 -2.192 -2.620 309 H LEU 39 HN LEU 39 53.889 -5.960 -2.522 310 HA LEU 39 HA LEU 39 55.818 -6.059 -4.556 311 HB2 LEU 39 HB2 LEU 39 53.798 -8.200 -3.719 312 HB3 LEU 39 HB1 LEU 39 55.247 -8.462 -4.742 313 HG LEU 39 HG LEU 39 55.214 -7.547 -1.803 314 HD11 LEU 39 HD11 LEU 39 56.057 -10.219 -3.080 315 HD12 LEU 39 HD12 LEU 39 54.549 -9.919 -2.135 316 HD13 LEU 39 HD13 LEU 39 56.159 -9.797 -1.327 317 HD21 LEU 39 HD21 LEU 39 57.702 -7.915 -1.841 318 HD22 LEU 39 HD22 LEU 39 57.200 -6.551 -2.897 319 HD23 LEU 39 HD23 LEU 39 57.632 -8.145 -3.628 320 H GLU 40 HN GLU 40 52.227 -6.453 -4.617 321 HA GLU 40 HA GLU 40 52.120 -7.005 -7.376 322 HB2 GLU 40 HB2 GLU 40 49.664 -6.485 -7.161 323 HB3 GLU 40 HB1 GLU 40 50.246 -7.740 -6.007 324 HG2 GLU 40 HG2 GLU 40 50.268 -6.083 -4.171 325 HG3 GLU 40 HG1 GLU 40 49.853 -4.763 -5.282 326 H TYR 41 HN TYR 41 51.992 -3.911 -5.527 327 HA TYR 41 HA TYR 41 50.941 -2.446 -7.754 328 HB2 TYR 41 HB2 TYR 41 51.911 -1.880 -4.904 329 HB3 TYR 41 HB1 TYR 41 51.816 -0.512 -6.013 330 HD1 TYR 41 HD1 TYR 41 49.207 -3.187 -6.532 331 HD2 TYR 41 HD2 TYR 41 50.196 0.529 -4.572 332 HE1 TYR 41 HE1 TYR 41 46.867 -2.854 -5.994 333 HE2 TYR 41 HE2 TYR 41 47.823 0.828 -3.999 334 HH TYR 41 HH TYR 41 45.327 -1.538 -5.016 335 H GLU 42 HN GLU 42 54.067 -3.413 -6.574 336 HA GLU 42 HA GLU 42 55.593 -1.471 -7.985 337 HB2 GLU 42 HB2 GLU 42 56.452 -2.799 -6.027 338 HB3 GLU 42 HB1 GLU 42 56.441 -4.274 -7.042 339 HG2 GLU 42 HG2 GLU 42 58.153 -3.203 -8.568 340 HG3 GLU 42 HG1 GLU 42 58.101 -1.706 -7.561 341 H LEU 43 HN LEU 43 54.509 -4.811 -8.603 342 HA LEU 43 HA LEU 43 55.742 -5.099 -11.129 343 HB2 LEU 43 HB2 LEU 43 53.521 -6.560 -9.598 344 HB3 LEU 43 HB1 LEU 43 54.073 -7.137 -11.194 345 HG LEU 43 HG LEU 43 55.915 -6.804 -8.755 346 HD11 LEU 43 HD11 LEU 43 54.558 -9.364 -9.810 347 HD12 LEU 43 HD12 LEU 43 54.151 -8.491 -8.284 348 HD13 LEU 43 HD13 LEU 43 55.768 -9.267 -8.474 349 HD21 LEU 43 HD21 LEU 43 57.482 -8.283 -10.020 350 HD22 LEU 43 HD22 LEU 43 57.168 -6.746 -10.899 351 HD23 LEU 43 HD23 LEU 43 56.363 -8.269 -11.433 352 H LEU 44 HN LEU 44 52.767 -3.618 -10.015 353 HA LEU 44 HA LEU 44 51.335 -3.913 -12.459 354 HB2 LEU 44 HB2 LEU 44 50.138 -3.969 -10.377 355 HB3 LEU 44 HB1 LEU 44 50.863 -2.416 -9.874 356 HG LEU 44 HG LEU 44 49.539 -1.176 -11.463 357 HD11 LEU 44 HD11 LEU 44 48.414 -3.884 -12.454 358 HD12 LEU 44 HD12 LEU 44 49.454 -2.754 -13.401 359 HD13 LEU 44 HD13 LEU 44 47.791 -2.258 -12.925 360 HD21 LEU 44 HD21 LEU 44 48.526 -1.723 -9.270 361 HD22 LEU 44 HD22 LEU 44 47.790 -3.217 -9.960 362 HD23 LEU 44 HD23 LEU 44 47.265 -1.597 -10.556 363 H GLY 45 HN GLY 45 52.040 -0.831 -10.652 364 HA2 GLY 45 HA2 GLY 45 53.882 0.368 -11.953 365 HA3 GLY 45 HA1 GLY 45 52.576 0.460 -13.208 366 H LYS 46 HN LYS 46 51.846 0.466 -9.752 367 HA LYS 46 HA LYS 46 50.746 3.143 -9.949 368 HB2 LYS 46 HB2 LYS 46 50.706 1.026 -7.774 369 HB3 LYS 46 HB1 LYS 46 50.076 2.699 -7.545 370 HG2 LYS 46 HG2 LYS 46 48.589 2.410 -9.534 371 HG3 LYS 46 HG1 LYS 46 49.100 0.692 -9.672 372 HD2 LYS 46 HD2 LYS 46 48.109 0.169 -7.492 373 HD3 LYS 46 HD1 LYS 46 47.801 1.915 -7.160 374 HE2 LYS 46 HE2 LYS 46 46.217 2.030 -9.089 375 HE3 LYS 46 HE1 LYS 46 46.482 0.271 -9.422 376 HZ1 LYS 46 HZ1 LYS 46 44.500 0.647 -8.140 377 HZ2 LYS 46 HZ2 LYS 46 45.374 1.437 -6.918 378 HZ3 LYS 46 HZ3 LYS 46 45.637 -0.213 -7.217 379 H ILE 47 HN ILE 47 53.150 1.232 -8.119 380 HA ILE 47 HA ILE 47 54.810 3.630 -7.681 381 HB ILE 47 HB ILE 47 55.978 2.228 -5.998 382 HG12 ILE 47 HG12 ILE 47 53.515 0.496 -5.753 383 HG13 ILE 47 HG11 ILE 47 54.562 0.101 -7.131 384 HG21 ILE 47 HG21 ILE 47 52.992 2.805 -5.433 385 HG22 ILE 47 HG22 ILE 47 54.331 4.020 -5.388 386 HG23 ILE 47 HG23 ILE 47 54.315 2.644 -4.223 387 HD11 ILE 47 HD1 ILE 47 55.439 0.298 -4.267 388 HD12 ILE 47 HD2 ILE 47 56.539 -0.135 -5.625 389 HD13 ILE 47 HD3 ILE 47 55.178 -1.234 -5.145 390 H LYS 48 HN LYS 48 57.212 2.977 -7.964 391 HA LYS 48 HA LYS 48 57.537 0.304 -9.008 392 HB2 LYS 48 HB2 LYS 48 59.059 2.764 -10.169 393 HB3 LYS 48 HB1 LYS 48 59.300 1.093 -10.706 394 HG2 LYS 48 HG2 LYS 48 58.024 1.660 -12.427 395 HG3 LYS 48 HG1 LYS 48 56.667 1.281 -11.331 396 HD2 LYS 48 HD2 LYS 48 56.154 3.417 -12.316 397 HD3 LYS 48 HD1 LYS 48 56.759 3.798 -10.658 398 HE2 LYS 48 HE2 LYS 48 59.075 4.219 -11.683 399 HE3 LYS 48 HE1 LYS 48 58.345 3.986 -13.317 400 HZ1 LYS 48 HZ1 LYS 48 56.858 5.824 -12.855 401 HZ2 LYS 48 HZ2 LYS 48 58.483 6.297 -12.712 402 HZ3 LYS 48 HZ3 LYS 48 57.547 6.043 -11.318 403 H ARG 49 HN ARG 49 60.057 -0.148 -9.023 404 HA ARG 49 HA ARG 49 61.557 1.404 -7.099 405 HB2 ARG 49 HB2 ARG 49 60.445 -0.420 -5.729 406 HB3 ARG 49 HB1 ARG 49 61.202 -1.649 -6.774 407 HG2 ARG 49 HG2 ARG 49 62.895 0.448 -5.271 408 HG3 ARG 49 HG1 ARG 49 62.215 -0.998 -4.446 409 HD2 ARG 49 HD2 ARG 49 63.429 -2.525 -6.006 410 HD3 ARG 49 HD1 ARG 49 64.165 -1.092 -6.838 411 HE ARG 49 HE ARG 49 64.554 -1.153 -3.905 412 HH11 ARG 49 HH11 ARG 49 66.706 -1.568 -3.122 413 HH12 ARG 49 HH12 ARG 49 67.939 -2.129 -4.201 414 HH21 ARG 49 HH21 ARG 49 65.857 -2.170 -7.082 415 HH22 ARG 49 HH22 ARG 49 67.451 -2.470 -6.478 416 H ILE 50 HN ILE 50 63.707 1.454 -7.989 417 HA ILE 50 HA ILE 50 64.495 -0.721 -9.700 418 HB ILE 50 HB ILE 50 63.325 0.569 -11.326 419 HG12 ILE 50 HG12 ILE 50 66.343 0.988 -11.743 420 HG13 ILE 50 HG11 ILE 50 65.530 -0.614 -11.810 421 HG21 ILE 50 HG21 ILE 50 65.119 2.977 -10.612 422 HG22 ILE 50 HG22 ILE 50 63.376 2.804 -10.176 423 HG23 ILE 50 HG23 ILE 50 63.868 2.894 -11.899 424 HD11 ILE 50 HD1 ILE 50 64.026 0.204 -13.629 425 HD12 ILE 50 HD2 ILE 50 65.768 0.298 -14.094 426 HD13 ILE 50 HD3 ILE 50 64.880 1.797 -13.630 427 H ASN 51 HN ASN 51 65.209 2.478 -8.222 428 HA ASN 51 HA ASN 51 67.998 2.157 -8.660 429 HB2 ASN 51 HB2 ASN 51 66.845 4.373 -8.766 430 HB3 ASN 51 HB1 ASN 51 66.429 4.255 -7.029 431 HD21 ASN 51 HD21 ASN 51 69.369 6.180 -6.439 432 HD22 ASN 51 HD22 ASN 51 67.642 6.069 -6.351 433 H HIS 52 HN HIS 52 66.583 3.117 -5.512 434 HA HIS 52 HA HIS 52 67.863 0.815 -4.216 435 HB2 HIS 52 HB2 HIS 52 68.020 3.764 -3.321 436 HB3 HIS 52 HB1 HIS 52 68.618 2.351 -2.378 437 HD1 HIS 52 HD1 HIS 52 70.409 0.833 -4.038 438 HD2 HIS 52 HD2 HIS 52 70.082 4.971 -4.667 439 HE1 HIS 52 HE1 HIS 52 72.493 1.575 -5.272 440 HE2 HIS 52 HE2 HIS 52 72.253 4.071 -5.638 441 H ILE 53 HN ILE 53 65.416 3.352 -4.497 442 HA ILE 53 HA ILE 53 63.803 2.053 -2.448 443 HB ILE 53 HB ILE 53 62.927 4.296 -1.799 444 HG12 ILE 53 HG12 ILE 53 65.545 5.373 -3.022 445 HG13 ILE 53 HG11 ILE 53 63.941 5.495 -3.831 446 HG21 ILE 53 HG21 ILE 53 65.820 3.495 -1.116 447 HG22 ILE 53 HG22 ILE 53 64.284 2.893 -0.366 448 HG23 ILE 53 HG23 ILE 53 64.789 4.606 -0.154 449 HD11 ILE 53 HD1 ILE 53 63.014 6.600 -1.776 450 HD12 ILE 53 HD2 ILE 53 64.273 7.578 -2.638 451 HD13 ILE 53 HD3 ILE 53 64.688 6.715 -1.107 452 H VAL 54 HN VAL 54 61.478 3.094 -2.676 453 HA VAL 54 HA VAL 54 60.713 2.592 -5.375 454 HB VAL 54 HB VAL 54 58.376 3.012 -4.578 455 HG11 VAL 54 HG11 VAL 54 60.098 0.940 -3.146 456 HG12 VAL 54 HG12 VAL 54 59.127 0.770 -4.644 457 HG13 VAL 54 HG13 VAL 54 58.296 0.990 -3.069 458 HG21 VAL 54 HG21 VAL 54 58.729 4.695 -2.859 459 HG22 VAL 54 HG22 VAL 54 59.778 3.601 -1.899 460 HG23 VAL 54 HG23 VAL 54 58.022 3.238 -2.085 461 H VAL 55 HN VAL 55 59.240 4.049 -6.525 462 HA VAL 55 HA VAL 55 59.425 6.866 -5.785 463 HB VAL 55 HB VAL 55 59.342 7.454 -8.219 464 HG11 VAL 55 HG11 VAL 55 61.866 5.901 -7.333 465 HG12 VAL 55 HG12 VAL 55 61.452 7.597 -6.878 466 HG13 VAL 55 HG13 VAL 55 61.777 7.177 -8.601 467 HG21 VAL 55 HG21 VAL 55 58.522 5.243 -9.112 468 HG22 VAL 55 HG22 VAL 55 60.082 4.467 -8.641 469 HG23 VAL 55 HG23 VAL 55 60.054 5.748 -9.902 470 H LEU 56 HN LEU 56 57.457 7.987 -6.620 471 HA LEU 56 HA LEU 56 55.136 6.207 -6.804 472 HB2 LEU 56 HB2 LEU 56 55.438 9.267 -6.766 473 HB3 LEU 56 HB1 LEU 56 53.861 8.426 -6.916 474 HG LEU 56 HG LEU 56 55.698 7.945 -4.504 475 HD11 LEU 56 HD11 LEU 56 53.640 10.219 -4.795 476 HD12 LEU 56 HD12 LEU 56 55.429 10.396 -4.667 477 HD13 LEU 56 HD13 LEU 56 54.484 9.741 -3.280 478 HD21 LEU 56 HD21 LEU 56 53.818 6.354 -4.743 479 HD22 LEU 56 HD22 LEU 56 52.646 7.722 -4.873 480 HD23 LEU 56 HD23 LEU 56 53.546 7.455 -3.336 481 H ALA 57 HN ALA 57 53.869 6.286 -8.787 482 HA ALA 57 HA ALA 57 55.303 6.593 -11.166 483 HB1 ALA 57 HB1 ALA 57 52.260 6.500 -10.729 484 HB2 ALA 57 HB2 ALA 57 53.342 5.107 -11.079 485 HB3 ALA 57 HB3 ALA 57 53.083 6.368 -12.333 486 H HIS 58 HN HIS 58 52.419 8.566 -10.117 487 HA HIS 58 HA HIS 58 53.924 10.954 -10.409 488 HB2 HIS 58 HB2 HIS 58 53.266 10.634 -12.827 489 HB3 HIS 58 HB1 HIS 58 51.548 10.512 -12.342 490 HD1 HIS 58 HD1 HIS 58 50.506 12.817 -11.378 491 HD2 HIS 58 HD2 HIS 58 54.311 13.197 -13.109 492 HE1 HIS 58 HE1 HIS 58 50.898 15.285 -11.803 493 HE2 HIS 58 HE2 HIS 58 53.202 15.469 -12.842 494 H HIS 59 HN HIS 59 53.321 11.910 -8.583 495 HA HIS 59 HA HIS 59 52.228 12.580 -6.869 496 HB2 HIS 59 HB2 HIS 59 51.152 13.925 -8.722 497 HB3 HIS 59 HB1 HIS 59 49.737 12.834 -8.626 498 HD1 HIS 59 HD1 HIS 59 48.596 12.875 -6.064 499 HD2 HIS 59 HD2 HIS 59 51.187 16.038 -7.007 500 HE1 HIS 59 HE1 HIS 59 48.141 14.741 -4.409 501 HE2 HIS 59 HE2 HIS 59 49.728 16.624 -5.008 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 28.303 -25.881 -4.615 2 H2 MET 1 HT2 MET 1 26.999 -25.872 -3.527 3 H3 MET 1 HT3 MET 1 28.478 -26.577 -3.074 4 HA MET 1 HA MET 1 28.185 -24.471 -2.042 5 HB2 MET 1 HB2 MET 1 30.353 -23.424 -2.703 6 HB3 MET 1 HB1 MET 1 30.478 -25.200 -2.547 7 HG2 MET 1 HG2 MET 1 30.352 -25.466 -5.020 8 HG3 MET 1 HG1 MET 1 30.146 -23.700 -5.216 9 HE1 MET 1 HE1 MET 1 32.165 -25.237 -6.864 10 HE2 MET 1 HE2 MET 1 33.613 -24.177 -6.768 11 HE3 MET 1 HE3 MET 1 31.977 -23.449 -6.894 12 H LEU 2 HN LEU 2 28.998 -21.986 -2.800 13 HA LEU 2 HA LEU 2 26.826 -21.099 -4.536 14 HB2 LEU 2 HB2 LEU 2 27.208 -20.318 -2.032 15 HB3 LEU 2 HB1 LEU 2 28.532 -19.330 -2.694 16 HG LEU 2 HG LEU 2 26.751 -18.287 -4.284 17 HD11 LEU 2 HD11 LEU 2 25.023 -20.073 -4.170 18 HD12 LEU 2 HD12 LEU 2 24.348 -18.511 -3.581 19 HD13 LEU 2 HD13 LEU 2 24.824 -19.795 -2.402 20 HD21 LEU 2 HD21 LEU 2 26.332 -17.935 -1.249 21 HD22 LEU 2 HD22 LEU 2 25.837 -16.773 -2.538 22 HD23 LEU 2 HD23 LEU 2 27.585 -17.115 -2.256 23 H LYS 3 HN LYS 3 28.623 -18.479 -4.664 24 HA LYS 3 HA LYS 3 30.389 -19.444 -6.799 25 HB2 LYS 3 HB2 LYS 3 28.880 -17.599 -7.484 26 HB3 LYS 3 HB1 LYS 3 29.433 -16.610 -6.101 27 HG2 LYS 3 HG2 LYS 3 30.482 -15.890 -8.227 28 HG3 LYS 3 HG1 LYS 3 31.702 -16.439 -7.039 29 HD2 LYS 3 HD2 LYS 3 32.312 -17.204 -9.277 30 HD3 LYS 3 HD1 LYS 3 31.967 -18.605 -8.224 31 HE2 LYS 3 HE2 LYS 3 31.031 -18.944 -10.513 32 HE3 LYS 3 HE1 LYS 3 29.686 -18.857 -9.312 33 HZ1 LYS 3 HZ1 LYS 3 30.627 -16.647 -11.066 34 HZ2 LYS 3 HZ2 LYS 3 29.365 -16.554 -9.933 35 HZ3 LYS 3 HZ3 LYS 3 29.226 -17.585 -11.275 36 H ASP 4 HN ASP 4 32.160 -20.209 -5.745 37 HA ASP 4 HA ASP 4 33.856 -18.260 -4.585 38 HB2 ASP 4 HB2 ASP 4 32.573 -19.025 -2.491 39 HB3 ASP 4 HB1 ASP 4 33.054 -20.716 -2.864 40 H TYR 5 HN TYR 5 35.818 -18.789 -5.435 41 HA TYR 5 HA TYR 5 36.345 -21.602 -6.087 42 HB2 TYR 5 HB2 TYR 5 37.084 -19.215 -7.822 43 HB3 TYR 5 HB1 TYR 5 37.627 -20.916 -8.102 44 HD1 TYR 5 HD1 TYR 5 35.443 -22.644 -7.903 45 HD2 TYR 5 HD2 TYR 5 35.456 -18.592 -9.340 46 HE1 TYR 5 HE1 TYR 5 33.472 -23.137 -9.293 47 HE2 TYR 5 HE2 TYR 5 33.508 -19.093 -10.770 48 HH TYR 5 HH TYR 5 32.011 -20.645 -11.430 49 H HIS 6 HN HIS 6 38.935 -20.127 -7.083 50 HA HIS 6 HA HIS 6 40.355 -20.361 -4.581 51 HB2 HIS 6 HB2 HIS 6 41.203 -19.894 -7.465 52 HB3 HIS 6 HB1 HIS 6 42.363 -20.033 -6.104 53 HD1 HIS 6 HD1 HIS 6 42.880 -22.062 -8.097 54 HD2 HIS 6 HD2 HIS 6 39.847 -22.704 -5.266 55 HE1 HIS 6 HE1 HIS 6 42.479 -24.560 -7.974 56 HE2 HIS 6 HE2 HIS 6 40.646 -24.904 -6.257 57 H LEU 7 HN LEU 7 38.548 -17.884 -5.788 58 HA LEU 7 HA LEU 7 40.485 -15.836 -5.948 59 HB2 LEU 7 HB2 LEU 7 37.415 -15.805 -5.765 60 HB3 LEU 7 HB1 LEU 7 38.380 -14.296 -5.776 61 HG LEU 7 HG LEU 7 39.395 -14.951 -7.972 62 HD11 LEU 7 HD11 LEU 7 37.158 -17.075 -8.035 63 HD12 LEU 7 HD12 LEU 7 38.936 -17.396 -8.093 64 HD13 LEU 7 HD13 LEU 7 38.134 -16.540 -9.452 65 HD21 LEU 7 HD21 LEU 7 37.411 -14.193 -9.274 66 HD22 LEU 7 HD22 LEU 7 37.575 -13.276 -7.729 67 HD23 LEU 7 HD23 LEU 7 36.337 -14.581 -7.876 68 H LYS 8 HN LYS 8 40.275 -13.817 -4.553 69 HA LYS 8 HA LYS 8 40.681 -14.642 -1.832 70 HB2 LYS 8 HB2 LYS 8 42.130 -13.027 -3.384 71 HB3 LYS 8 HB1 LYS 8 40.928 -11.795 -2.923 72 HG2 LYS 8 HG2 LYS 8 41.586 -12.590 -0.421 73 HG3 LYS 8 HG1 LYS 8 43.037 -13.247 -1.234 74 HD2 LYS 8 HD2 LYS 8 43.558 -10.967 -2.131 75 HD3 LYS 8 HD1 LYS 8 42.014 -10.340 -1.445 76 HE2 LYS 8 HE2 LYS 8 42.840 -10.864 0.887 77 HE3 LYS 8 HE1 LYS 8 44.423 -11.399 0.187 78 HZ1 LYS 8 HZ1 LYS 8 44.481 -9.137 0.958 79 HZ2 LYS 8 HZ2 LYS 8 43.204 -8.696 -0.070 80 HZ3 LYS 8 HZ3 LYS 8 44.692 -9.189 -0.726 81 H GLU 9 HN GLU 9 39.976 -12.113 -0.600 82 HA GLU 9 HA GLU 9 37.100 -12.271 -0.412 83 HB2 GLU 9 HB2 GLU 9 37.582 -10.463 1.398 84 HB3 GLU 9 HB1 GLU 9 38.013 -12.175 1.706 85 HG2 GLU 9 HG2 GLU 9 40.367 -11.839 1.285 86 HG3 GLU 9 HG1 GLU 9 40.110 -10.139 0.753 87 H MET 10 HN MET 10 38.898 -9.289 -0.106 88 HA MET 10 HA MET 10 37.800 -8.268 -2.637 89 HB2 MET 10 HB2 MET 10 37.767 -7.182 0.181 90 HB3 MET 10 HB1 MET 10 37.750 -6.038 -1.234 91 HG2 MET 10 HG2 MET 10 35.702 -7.112 -2.096 92 HG3 MET 10 HG1 MET 10 35.716 -8.296 -0.757 93 HE1 MET 10 HE1 MET 10 36.465 -6.613 1.863 94 HE2 MET 10 HE2 MET 10 35.184 -7.860 1.669 95 HE3 MET 10 HE3 MET 10 34.795 -6.273 2.417 96 HA PRO 11 HA PRO 11 42.333 -7.560 -2.313 97 HB2 PRO 11 HB2 PRO 11 42.999 -8.009 -4.973 98 HB3 PRO 11 HB1 PRO 11 42.641 -9.363 -3.840 99 HG2 PRO 11 HG1 PRO 11 40.701 -8.035 -5.808 100 HG3 PRO 11 HG2 PRO 11 41.061 -9.803 -5.614 101 HD2 PRO 11 HD1 PRO 11 38.910 -8.567 -4.371 102 HD3 PRO 11 HD2 PRO 11 39.818 -9.902 -3.540 103 H GLU 12 HN GLU 12 39.835 -5.720 -2.961 104 HA GLU 12 HA GLU 12 41.010 -3.791 -4.781 105 HB2 GLU 12 HB2 GLU 12 38.280 -3.879 -3.369 106 HB3 GLU 12 HB1 GLU 12 38.761 -2.725 -4.670 107 HG2 GLU 12 HG2 GLU 12 38.993 -4.624 -6.283 108 HG3 GLU 12 HG1 GLU 12 38.514 -5.797 -5.000 109 H MET 13 HN MET 13 42.211 -4.277 -2.088 110 HA MET 13 HA MET 13 41.459 -1.948 -0.529 111 HB2 MET 13 HB2 MET 13 43.583 -4.043 0.022 112 HB3 MET 13 HB1 MET 13 43.093 -2.693 1.108 113 HG2 MET 13 HG2 MET 13 41.408 -5.096 0.209 114 HG3 MET 13 HG1 MET 13 42.052 -4.706 1.832 115 HE1 MET 13 HE1 MET 13 38.203 -4.641 2.323 116 HE2 MET 13 HE2 MET 13 39.784 -5.291 2.878 117 HE3 MET 13 HE3 MET 13 39.182 -5.679 1.231 118 H GLU 14 HN GLU 14 42.949 -0.202 -0.108 119 HA GLU 14 HA GLU 14 45.402 -0.033 -1.584 120 HB2 GLU 14 HB2 GLU 14 44.687 1.797 -3.080 121 HB3 GLU 14 HB1 GLU 14 43.659 0.361 -3.380 122 HG2 GLU 14 HG2 GLU 14 41.800 1.344 -2.026 123 HG3 GLU 14 HG1 GLU 14 42.794 2.801 -1.677 124 H ASP 15 HN ASP 15 42.946 1.072 0.586 125 HA ASP 15 HA ASP 15 44.467 3.391 1.396 126 HB2 ASP 15 HB2 ASP 15 42.741 3.921 2.930 127 HB3 ASP 15 HB1 ASP 15 41.997 3.542 1.348 128 H GLU 16 HN GLU 16 44.278 0.035 1.990 129 HA GLU 16 HA GLU 16 45.485 -0.188 4.507 130 HB2 GLU 16 HB2 GLU 16 44.407 -2.085 3.253 131 HB3 GLU 16 HB1 GLU 16 45.681 -1.961 1.998 132 HG2 GLU 16 HG2 GLU 16 47.421 -2.535 3.805 133 HG3 GLU 16 HG1 GLU 16 46.061 -2.778 4.962 134 H PHE 17 HN PHE 17 46.689 0.261 1.133 135 HA PHE 17 HA PHE 17 49.422 0.118 1.774 136 HB2 PHE 17 HB2 PHE 17 48.558 -0.245 -0.533 137 HB3 PHE 17 HB1 PHE 17 47.945 1.431 -0.588 138 HD1 PHE 17 HD1 PHE 17 51.001 -0.672 -0.551 139 HD2 PHE 17 HD2 PHE 17 49.423 3.287 -1.011 140 HE1 PHE 17 HE1 PHE 17 53.168 0.075 -1.490 141 HE2 PHE 17 HE2 PHE 17 51.608 4.050 -1.912 142 HZ PHE 17 HZ PHE 17 53.485 2.439 -2.109 143 H LEU 18 HN LEU 18 47.025 2.793 1.758 144 HA LEU 18 HA LEU 18 48.967 4.832 1.949 145 HB2 LEU 18 HB2 LEU 18 45.950 4.650 2.325 146 HB3 LEU 18 HB1 LEU 18 46.776 6.181 2.681 147 HG LEU 18 HG LEU 18 47.002 4.712 -0.009 148 HD11 LEU 18 HD11 LEU 18 44.632 5.362 0.389 149 HD12 LEU 18 HD12 LEU 18 45.372 6.358 -0.918 150 HD13 LEU 18 HD13 LEU 18 45.140 7.059 0.729 151 HD21 LEU 18 HD21 LEU 18 47.795 6.919 -0.891 152 HD22 LEU 18 HD22 LEU 18 48.897 6.270 0.372 153 HD23 LEU 18 HD23 LEU 18 47.749 7.602 0.777 154 H GLU 19 HN GLU 19 47.544 2.721 4.401 155 HA GLU 19 HA GLU 19 48.125 4.690 6.495 156 HB2 GLU 19 HB2 GLU 19 46.952 3.336 8.047 157 HB3 GLU 19 HB1 GLU 19 45.930 3.618 6.594 158 HG2 GLU 19 HG2 GLU 19 46.534 1.313 5.754 159 HG3 GLU 19 HG1 GLU 19 47.537 1.083 7.237 160 H TYR 20 HN TYR 20 49.350 1.909 4.899 161 HA TYR 20 HA TYR 20 51.192 1.007 6.898 162 HB2 TYR 20 HB2 TYR 20 50.740 0.608 3.884 163 HB3 TYR 20 HB1 TYR 20 52.279 0.110 4.518 164 HD1 TYR 20 HD1 TYR 20 52.401 -2.143 4.551 165 HD2 TYR 20 HD2 TYR 20 48.952 -0.275 6.261 166 HE1 TYR 20 HE1 TYR 20 51.614 -4.346 5.341 167 HE2 TYR 20 HE2 TYR 20 48.134 -2.468 7.049 168 HH TYR 20 HH TYR 20 49.987 -5.487 6.407 169 H CYS 21 HN CYS 21 51.070 3.268 4.241 170 HA CYS 21 HA CYS 21 53.834 3.404 3.948 171 HB2 CYS 21 HB2 CYS 21 51.621 5.183 2.848 172 HB3 CYS 21 HB1 CYS 21 53.329 5.658 2.622 173 HG CYS 21 HG1 CYS 21 51.975 2.789 1.789 174 H ALA 22 HN ALA 22 51.962 4.635 6.436 175 HA ALA 22 HA ALA 22 53.345 7.025 7.068 176 HB1 ALA 22 HB1 ALA 22 52.233 6.752 9.296 177 HB2 ALA 22 HB2 ALA 22 51.715 5.084 8.817 178 HB3 ALA 22 HB3 ALA 22 51.075 6.521 7.932 179 H LYS 23 HN LYS 23 54.118 3.667 7.183 180 HA LYS 23 HA LYS 23 56.476 4.089 8.836 181 HB2 LYS 23 HB2 LYS 23 55.265 1.864 9.044 182 HB3 LYS 23 HB1 LYS 23 55.527 1.610 7.289 183 HG2 LYS 23 HG2 LYS 23 58.059 1.736 7.741 184 HG3 LYS 23 HG1 LYS 23 57.679 1.869 9.486 185 HD2 LYS 23 HD2 LYS 23 58.299 -0.428 8.973 186 HD3 LYS 23 HD1 LYS 23 56.560 -0.371 9.416 187 HE2 LYS 23 HE2 LYS 23 56.963 -1.932 7.512 188 HE3 LYS 23 HE1 LYS 23 55.929 -0.553 6.974 189 HZ1 LYS 23 HZ1 LYS 23 57.627 -1.066 5.387 190 HZ2 LYS 23 HZ2 LYS 23 58.857 -0.840 6.536 191 HZ3 LYS 23 HZ3 LYS 23 57.903 0.476 6.045 192 H ASN 24 HN ASN 24 57.107 5.773 7.476 193 HA ASN 24 HA ASN 24 57.644 5.570 4.756 194 HB2 ASN 24 HB2 ASN 24 58.832 7.415 6.920 195 HB3 ASN 24 HB1 ASN 24 59.105 7.635 5.165 196 HD21 ASN 24 HD21 ASN 24 55.687 9.064 6.851 197 HD22 ASN 24 HD22 ASN 24 57.048 8.496 7.760 198 HA PRO 25 HA PRO 25 62.093 4.240 5.820 199 HB2 PRO 25 HB2 PRO 25 62.100 2.343 8.022 200 HB3 PRO 25 HB1 PRO 25 62.834 4.005 8.024 201 HG2 PRO 25 HG1 PRO 25 60.074 3.124 8.993 202 HG3 PRO 25 HG2 PRO 25 61.217 4.302 9.767 203 HD2 PRO 25 HD1 PRO 25 59.091 5.216 8.323 204 HD3 PRO 25 HD2 PRO 25 60.715 5.987 8.059 205 H SER 26 HN SER 26 62.862 2.289 4.890 206 HA SER 26 HA SER 26 62.746 0.476 3.762 207 HB2 SER 26 HB2 SER 26 60.732 -0.369 5.888 208 HB3 SER 26 HB1 SER 26 61.253 -1.471 4.537 209 HG SER 26 HG1 SER 26 62.470 -1.716 6.406 210 H TYR 27 HN TYR 27 62.177 1.803 2.085 211 HA TYR 27 HA TYR 27 59.634 2.178 0.985 212 HB2 TYR 27 HB2 TYR 27 61.350 3.603 0.129 213 HB3 TYR 27 HB1 TYR 27 62.571 2.312 0.168 214 HD1 TYR 27 HD1 TYR 27 60.055 4.003 -1.907 215 HD2 TYR 27 HD2 TYR 27 62.749 0.662 -1.642 216 HE1 TYR 27 HE1 TYR 27 59.957 3.729 -4.352 217 HE2 TYR 27 HE2 TYR 27 62.602 0.346 -4.089 218 HH TYR 27 HH TYR 27 60.599 2.528 -6.136 219 H GLU 28 HN GLU 28 62.147 -0.290 0.795 220 HA GLU 28 HA GLU 28 61.200 -1.816 -1.287 221 HB2 GLU 28 HB2 GLU 28 62.675 -3.637 0.038 222 HB3 GLU 28 HB1 GLU 28 63.416 -2.272 -0.848 223 HG2 GLU 28 HG2 GLU 28 63.801 -0.959 1.119 224 HG3 GLU 28 HG1 GLU 28 62.765 -2.005 2.144 225 H GLU 29 HN GLU 29 60.570 -2.148 2.304 226 HA GLU 29 HA GLU 29 59.230 -4.606 1.892 227 HB2 GLU 29 HB2 GLU 29 59.204 -2.696 4.273 228 HB3 GLU 29 HB1 GLU 29 58.437 -4.328 4.259 229 HG2 GLU 29 HG2 GLU 29 60.648 -5.387 3.747 230 HG3 GLU 29 HG1 GLU 29 61.449 -3.779 3.828 231 H ALA 30 HN ALA 30 58.123 -1.204 1.846 232 HA ALA 30 HA ALA 30 55.354 -1.937 2.108 233 HB1 ALA 30 HB1 ALA 30 56.165 0.299 2.891 234 HB2 ALA 30 HB2 ALA 30 54.917 0.468 1.602 235 HB3 ALA 30 HB3 ALA 30 56.666 0.701 1.208 236 H TYR 31 HN TYR 31 57.693 -1.714 -0.507 237 HA TYR 31 HA TYR 31 55.701 -1.540 -2.601 238 HB2 TYR 31 HB2 TYR 31 57.909 -0.496 -3.040 239 HB3 TYR 31 HB1 TYR 31 58.733 -1.875 -2.356 240 HD1 TYR 31 HD1 TYR 31 60.235 -2.370 -4.093 241 HD2 TYR 31 HD2 TYR 31 56.069 -1.973 -5.007 242 HE1 TYR 31 HE1 TYR 31 60.645 -3.299 -6.341 243 HE2 TYR 31 HE2 TYR 31 56.443 -2.962 -7.233 244 HH TYR 31 HH TYR 31 57.957 -3.794 -8.681 245 H LEU 32 HN LEU 32 58.108 -3.951 -1.460 246 HA LEU 32 HA LEU 32 57.344 -5.838 -3.334 247 HB2 LEU 32 HB2 LEU 32 58.966 -6.026 -0.745 248 HB3 LEU 32 HB1 LEU 32 58.880 -7.353 -1.941 249 HG LEU 32 HG LEU 32 59.826 -4.494 -2.642 250 HD11 LEU 32 HD11 LEU 32 61.289 -5.453 -0.838 251 HD12 LEU 32 HD12 LEU 32 62.164 -5.297 -2.407 252 HD13 LEU 32 HD13 LEU 32 61.584 -6.914 -1.852 253 HD21 LEU 32 HD21 LEU 32 60.224 -7.182 -4.110 254 HD22 LEU 32 HD22 LEU 32 60.923 -5.592 -4.595 255 HD23 LEU 32 HD23 LEU 32 59.140 -5.831 -4.618 256 H LYS 33 HN LYS 33 56.178 -5.302 -0.061 257 HA LYS 33 HA LYS 33 55.016 -7.813 0.405 258 HB2 LYS 33 HB2 LYS 33 55.198 -5.999 2.213 259 HB3 LYS 33 HB1 LYS 33 54.002 -5.052 1.326 260 HG2 LYS 33 HG2 LYS 33 52.951 -7.763 1.811 261 HG3 LYS 33 HG1 LYS 33 53.676 -7.124 3.322 262 HD2 LYS 33 HD2 LYS 33 52.336 -5.036 3.113 263 HD3 LYS 33 HD1 LYS 33 51.667 -5.613 1.546 264 HE2 LYS 33 HE2 LYS 33 50.079 -5.869 3.418 265 HE3 LYS 33 HE1 LYS 33 50.480 -7.488 2.699 266 HZ1 LYS 33 HZ1 LYS 33 52.025 -7.824 4.516 267 HZ2 LYS 33 HZ2 LYS 33 50.450 -7.545 5.088 268 HZ3 LYS 33 HZ3 LYS 33 51.620 -6.317 5.187 269 H PHE 34 HN PHE 34 53.700 -4.754 -0.972 270 HA PHE 34 HA PHE 34 51.174 -5.901 -1.645 271 HB2 PHE 34 HB2 PHE 34 52.534 -3.183 -2.252 272 HB3 PHE 34 HB1 PHE 34 50.908 -3.599 -2.851 273 HD1 PHE 34 HD1 PHE 34 52.944 -3.259 0.256 274 HD2 PHE 34 HD2 PHE 34 48.998 -3.369 -1.431 275 HE1 PHE 34 HE1 PHE 34 52.039 -2.492 2.386 276 HE2 PHE 34 HE2 PHE 34 48.063 -2.598 0.730 277 HZ PHE 34 HZ PHE 34 49.567 -2.189 2.660 278 H GLY 35 HN GLY 35 53.214 -4.008 -3.873 279 HA2 GLY 35 HA2 GLY 35 54.459 -5.672 -5.400 280 HA3 GLY 35 HA1 GLY 35 52.764 -5.843 -6.038 281 H ASP 36 HN ASP 36 52.520 -4.589 -7.801 282 HA ASP 36 HA ASP 36 54.175 -2.372 -8.291 283 HB2 ASP 36 HB2 ASP 36 51.618 -3.237 -9.744 284 HB3 ASP 36 HB1 ASP 36 52.880 -2.120 -10.389 285 H LYS 37 HN LYS 37 51.707 -2.492 -6.129 286 HA LYS 37 HA LYS 37 50.098 -0.301 -6.553 287 HB2 LYS 37 HB2 LYS 37 49.736 -2.125 -4.862 288 HB3 LYS 37 HB1 LYS 37 51.117 -1.480 -3.946 289 HG2 LYS 37 HG2 LYS 37 49.001 -0.760 -2.937 290 HG3 LYS 37 HG1 LYS 37 49.949 0.644 -3.531 291 HD2 LYS 37 HD2 LYS 37 47.619 1.037 -3.948 292 HD3 LYS 37 HD1 LYS 37 48.456 0.835 -5.522 293 HE2 LYS 37 HE2 LYS 37 47.542 -1.518 -5.695 294 HE3 LYS 37 HE1 LYS 37 46.735 -1.312 -4.085 295 HZ1 LYS 37 HZ1 LYS 37 45.243 -0.923 -5.912 296 HZ2 LYS 37 HZ2 LYS 37 46.231 0.318 -6.521 297 HZ3 LYS 37 HZ3 LYS 37 45.468 0.501 -5.015 298 H LEU 38 HN LEU 38 53.377 -0.572 -5.061 299 HA LEU 38 HA LEU 38 53.343 2.164 -4.184 300 HB2 LEU 38 HB2 LEU 38 54.712 0.338 -2.978 301 HB3 LEU 38 HB1 LEU 38 55.716 0.221 -4.388 302 HG LEU 38 HG LEU 38 55.397 2.997 -3.282 303 HD11 LEU 38 HD11 LEU 38 56.983 0.916 -1.661 304 HD12 LEU 38 HD12 LEU 38 55.445 1.702 -1.154 305 HD13 LEU 38 HD13 LEU 38 56.934 2.690 -1.380 306 HD21 LEU 38 HD21 LEU 38 57.897 1.365 -4.052 307 HD22 LEU 38 HD22 LEU 38 57.819 3.142 -3.710 308 HD23 LEU 38 HD23 LEU 38 56.988 2.462 -5.156 309 H LEU 39 HN LEU 39 54.346 0.468 -7.131 310 HA LEU 39 HA LEU 39 56.002 2.512 -8.089 311 HB2 LEU 39 HB2 LEU 39 54.384 0.444 -9.665 312 HB3 LEU 39 HB1 LEU 39 55.732 1.432 -10.305 313 HG LEU 39 HG LEU 39 55.888 -0.707 -8.101 314 HD11 LEU 39 HD11 LEU 39 57.199 -1.995 -9.763 315 HD12 LEU 39 HD12 LEU 39 57.029 -0.654 -10.961 316 HD13 LEU 39 HD13 LEU 39 55.572 -1.570 -10.422 317 HD21 LEU 39 HD21 LEU 39 58.166 1.027 -9.259 318 HD22 LEU 39 HD22 LEU 39 58.386 -0.429 -8.219 319 HD23 LEU 39 HD23 LEU 39 57.569 1.026 -7.555 320 H GLU 40 HN GLU 40 52.505 1.789 -8.695 321 HA GLU 40 HA GLU 40 52.154 3.964 -10.451 322 HB2 GLU 40 HB2 GLU 40 49.679 3.580 -10.027 323 HB3 GLU 40 HB1 GLU 40 50.586 2.158 -10.660 324 HG2 GLU 40 HG2 GLU 40 50.662 1.153 -8.406 325 HG3 GLU 40 HG1 GLU 40 49.948 2.606 -7.679 326 H TYR 41 HN TYR 41 51.848 3.678 -6.877 327 HA TYR 41 HA TYR 41 50.344 6.095 -6.644 328 HB2 TYR 41 HB2 TYR 41 51.572 4.047 -4.740 329 HB3 TYR 41 HB1 TYR 41 51.276 5.672 -4.096 330 HD1 TYR 41 HD1 TYR 41 48.988 4.080 -6.681 331 HD2 TYR 41 HD2 TYR 41 49.572 5.217 -2.561 332 HE1 TYR 41 HE1 TYR 41 46.633 3.670 -6.238 333 HE2 TYR 41 HE2 TYR 41 47.190 4.819 -2.141 334 HH TYR 41 HH TYR 41 45.199 4.251 -2.997 335 H GLU 42 HN GLU 42 53.679 5.207 -6.903 336 HA GLU 42 HA GLU 42 54.771 7.575 -5.773 337 HB2 GLU 42 HB2 GLU 42 56.063 5.445 -6.054 338 HB3 GLU 42 HB1 GLU 42 56.057 5.688 -7.831 339 HG2 GLU 42 HG2 GLU 42 57.356 7.834 -7.526 340 HG3 GLU 42 HG1 GLU 42 57.296 7.606 -5.738 341 H LEU 43 HN LEU 43 54.070 6.456 -9.129 342 HA LEU 43 HA LEU 43 54.798 8.833 -10.405 343 HB2 LEU 43 HB2 LEU 43 53.287 6.298 -11.134 344 HB3 LEU 43 HB1 LEU 43 53.134 7.707 -12.220 345 HG LEU 43 HG LEU 43 55.644 7.876 -12.317 346 HD11 LEU 43 HD11 LEU 43 56.306 6.455 -10.359 347 HD12 LEU 43 HD12 LEU 43 57.047 5.895 -11.898 348 HD13 LEU 43 HD13 LEU 43 55.646 5.004 -11.212 349 HD21 LEU 43 HD21 LEU 43 54.346 5.319 -13.459 350 HD22 LEU 43 HD22 LEU 43 55.835 6.125 -14.085 351 HD23 LEU 43 HD23 LEU 43 54.247 6.975 -14.169 352 H LEU 44 HN LEU 44 51.891 7.949 -8.619 353 HA LEU 44 HA LEU 44 50.176 9.777 -9.943 354 HB2 LEU 44 HB2 LEU 44 49.923 7.713 -7.959 355 HB3 LEU 44 HB1 LEU 44 49.296 9.179 -7.202 356 HG LEU 44 HG LEU 44 47.559 7.828 -8.250 357 HD11 LEU 44 HD11 LEU 44 46.423 9.628 -9.493 358 HD12 LEU 44 HD12 LEU 44 48.009 10.460 -9.767 359 HD13 LEU 44 HD13 LEU 44 47.370 10.281 -8.090 360 HD21 LEU 44 HD21 LEU 44 47.336 7.488 -10.682 361 HD22 LEU 44 HD22 LEU 44 48.849 6.727 -10.069 362 HD23 LEU 44 HD23 LEU 44 48.924 8.281 -10.981 363 H GLY 45 HN GLY 45 51.569 9.795 -6.582 364 HA2 GLY 45 HA2 GLY 45 52.969 11.690 -6.107 365 HA3 GLY 45 HA1 GLY 45 51.638 12.742 -6.734 366 H LYS 46 HN LYS 46 51.122 9.745 -4.915 367 HA LYS 46 HA LYS 46 49.908 11.254 -2.724 368 HB2 LYS 46 HB2 LYS 46 49.698 8.416 -3.734 369 HB3 LYS 46 HB1 LYS 46 49.211 8.813 -2.046 370 HG2 LYS 46 HG2 LYS 46 47.574 10.417 -2.738 371 HG3 LYS 46 HG1 LYS 46 48.110 10.377 -4.450 372 HD2 LYS 46 HD2 LYS 46 46.912 7.919 -3.028 373 HD3 LYS 46 HD1 LYS 46 45.938 9.164 -3.890 374 HE2 LYS 46 HE2 LYS 46 47.306 8.764 -5.985 375 HE3 LYS 46 HE1 LYS 46 48.122 7.377 -5.156 376 HZ1 LYS 46 HZ1 LYS 46 45.959 6.358 -4.878 377 HZ2 LYS 46 HZ2 LYS 46 46.273 6.685 -6.513 378 HZ3 LYS 46 HZ3 LYS 46 45.198 7.669 -5.642 379 H ILE 47 HN ILE 47 52.472 8.999 -3.654 380 HA ILE 47 HA ILE 47 53.908 9.576 -1.155 381 HB ILE 47 HB ILE 47 55.090 7.429 -1.481 382 HG12 ILE 47 HG12 ILE 47 52.857 6.198 -3.003 383 HG13 ILE 47 HG11 ILE 47 53.706 7.417 -3.977 384 HG21 ILE 47 HG21 ILE 47 53.328 6.059 -0.415 385 HG22 ILE 47 HG22 ILE 47 52.060 7.233 -0.921 386 HG23 ILE 47 HG23 ILE 47 53.334 7.732 0.256 387 HD11 ILE 47 HD1 ILE 47 54.987 5.100 -2.517 388 HD12 ILE 47 HD2 ILE 47 55.904 6.307 -3.492 389 HD13 ILE 47 HD3 ILE 47 54.722 5.187 -4.282 390 H LYS 48 HN LYS 48 56.359 9.361 -1.701 391 HA LYS 48 HA LYS 48 56.957 9.365 -4.503 392 HB2 LYS 48 HB2 LYS 48 58.021 11.602 -2.635 393 HB3 LYS 48 HB1 LYS 48 58.544 11.364 -4.334 394 HG2 LYS 48 HG2 LYS 48 56.264 11.958 -5.133 395 HG3 LYS 48 HG1 LYS 48 55.726 12.224 -3.436 396 HD2 LYS 48 HD2 LYS 48 57.985 13.771 -4.843 397 HD3 LYS 48 HD1 LYS 48 56.284 14.336 -4.644 398 HE2 LYS 48 HE2 LYS 48 56.563 14.259 -2.129 399 HE3 LYS 48 HE1 LYS 48 58.294 13.769 -2.356 400 HZ1 LYS 48 HZ1 LYS 48 58.662 15.820 -3.544 401 HZ2 LYS 48 HZ2 LYS 48 58.061 16.113 -1.983 402 HZ3 LYS 48 HZ3 LYS 48 57.042 16.282 -3.332 403 H ARG 49 HN ARG 49 59.501 9.293 -4.679 404 HA ARG 49 HA ARG 49 60.840 8.740 -2.211 405 HB2 ARG 49 HB2 ARG 49 60.166 6.426 -2.770 406 HB3 ARG 49 HB1 ARG 49 60.782 6.602 -4.442 407 HG2 ARG 49 HG2 ARG 49 62.710 7.084 -2.128 408 HG3 ARG 49 HG1 ARG 49 62.168 5.404 -2.422 409 HD2 ARG 49 HD2 ARG 49 63.060 5.389 -4.716 410 HD3 ARG 49 HD1 ARG 49 63.432 7.148 -4.638 411 HE ARG 49 HE ARG 49 65.308 6.753 -3.301 412 HH11 ARG 49 HH11 ARG 49 67.070 5.392 -2.661 413 HH12 ARG 49 HH12 ARG 49 66.879 3.671 -2.618 414 HH21 ARG 49 HH21 ARG 49 63.498 3.686 -3.709 415 HH22 ARG 49 HH22 ARG 49 64.829 2.693 -3.222 416 H ILE 50 HN ILE 50 63.010 9.404 -2.424 417 HA ILE 50 HA ILE 50 64.024 10.048 -5.030 418 HB ILE 50 HB ILE 50 62.653 11.978 -4.741 419 HG12 ILE 50 HG12 ILE 50 65.541 12.806 -4.083 420 HG13 ILE 50 HG11 ILE 50 65.031 12.122 -5.666 421 HG21 ILE 50 HG21 ILE 50 64.020 12.471 -2.018 422 HG22 ILE 50 HG22 ILE 50 62.344 11.847 -2.240 423 HG23 ILE 50 HG23 ILE 50 62.774 13.496 -2.808 424 HD11 ILE 50 HD1 ILE 50 63.366 13.960 -5.946 425 HD12 ILE 50 HD2 ILE 50 65.051 14.592 -5.789 426 HD13 ILE 50 HD3 ILE 50 63.913 14.708 -4.394 427 H ASN 51 HN ASN 51 64.231 10.201 -1.452 428 HA ASN 51 HA ASN 51 67.048 10.673 -1.536 429 HB2 ASN 51 HB2 ASN 51 65.135 10.140 0.830 430 HB3 ASN 51 HB1 ASN 51 66.866 10.630 0.971 431 HD21 ASN 51 HD21 ASN 51 64.108 13.512 0.734 432 HD22 ASN 51 HD22 ASN 51 63.834 11.880 1.247 433 H HIS 52 HN HIS 52 65.372 8.274 0.545 434 HA HIS 52 HA HIS 52 67.075 6.140 -0.508 435 HB2 HIS 52 HB2 HIS 52 66.816 6.953 2.462 436 HB3 HIS 52 HB1 HIS 52 67.671 5.489 1.853 437 HD1 HIS 52 HD1 HIS 52 69.742 6.150 0.115 438 HD2 HIS 52 HD2 HIS 52 68.418 9.179 2.703 439 HE1 HIS 52 HE1 HIS 52 71.554 7.919 0.195 440 HE2 HIS 52 HE2 HIS 52 70.713 9.729 1.755 441 H ILE 53 HN ILE 53 64.367 7.396 1.432 442 HA ILE 53 HA ILE 53 63.100 4.737 1.425 443 HB ILE 53 HB ILE 53 62.011 5.339 3.487 444 HG12 ILE 53 HG12 ILE 53 63.917 7.767 3.625 445 HG13 ILE 53 HG11 ILE 53 62.176 7.879 3.186 446 HG21 ILE 53 HG21 ILE 53 63.984 4.914 4.920 447 HG22 ILE 53 HG22 ILE 53 65.093 5.451 3.612 448 HG23 ILE 53 HG23 ILE 53 64.091 3.965 3.397 449 HD11 ILE 53 HD1 ILE 53 61.570 6.748 5.334 450 HD12 ILE 53 HD2 ILE 53 62.344 8.369 5.557 451 HD13 ILE 53 HD3 ILE 53 63.290 6.864 5.870 452 H VAL 54 HN VAL 54 60.624 5.062 1.775 453 HA VAL 54 HA VAL 54 59.760 6.837 -0.310 454 HB VAL 54 HB VAL 54 58.963 4.415 0.058 455 HG11 VAL 54 HG11 VAL 54 57.042 4.047 1.541 456 HG12 VAL 54 HG12 VAL 54 57.184 5.704 2.220 457 HG13 VAL 54 HG13 VAL 54 58.505 4.495 2.477 458 HG21 VAL 54 HG21 VAL 54 56.693 4.942 -0.807 459 HG22 VAL 54 HG22 VAL 54 57.959 5.958 -1.587 460 HG23 VAL 54 HG23 VAL 54 56.885 6.662 -0.314 461 H VAL 55 HN VAL 55 58.187 8.577 0.099 462 HA VAL 55 HA VAL 55 57.931 9.351 2.924 463 HB VAL 55 HB VAL 55 57.908 11.721 2.230 464 HG11 VAL 55 HG11 VAL 55 60.370 11.936 2.014 465 HG12 VAL 55 HG12 VAL 55 60.512 10.209 1.523 466 HG13 VAL 55 HG13 VAL 55 59.951 10.630 3.185 467 HG21 VAL 55 HG21 VAL 55 58.793 12.386 -0.003 468 HG22 VAL 55 HG22 VAL 55 57.299 11.413 -0.207 469 HG23 VAL 55 HG23 VAL 55 58.915 10.667 -0.506 470 H LEU 56 HN LEU 56 55.911 10.561 3.307 471 HA LEU 56 HA LEU 56 53.776 9.857 1.426 472 HB2 LEU 56 HB2 LEU 56 53.733 11.377 4.097 473 HB3 LEU 56 HB1 LEU 56 52.284 11.032 3.097 474 HG LEU 56 HG LEU 56 54.024 8.805 4.297 475 HD11 LEU 56 HD11 LEU 56 53.271 10.269 6.149 476 HD12 LEU 56 HD12 LEU 56 52.357 8.715 6.170 477 HD13 LEU 56 HD13 LEU 56 51.574 10.209 5.540 478 HD21 LEU 56 HD21 LEU 56 52.512 8.023 2.503 479 HD22 LEU 56 HD22 LEU 56 51.110 8.853 3.284 480 HD23 LEU 56 HD23 LEU 56 51.908 7.470 4.117 481 H ALA 57 HN ALA 57 52.704 11.557 0.296 482 HA ALA 57 HA ALA 57 54.111 14.135 0.222 483 HB1 ALA 57 HB1 ALA 57 53.715 13.035 -1.999 484 HB2 ALA 57 HB2 ALA 57 52.790 14.571 -1.841 485 HB3 ALA 57 HB3 ALA 57 51.951 12.986 -1.647 486 H HIS 58 HN HIS 58 51.020 12.443 0.862 487 HA HIS 58 HA HIS 58 49.618 14.856 1.515 488 HB2 HIS 58 HB2 HIS 58 48.379 12.893 0.589 489 HB3 HIS 58 HB1 HIS 58 48.907 11.900 1.987 490 HD1 HIS 58 HD1 HIS 58 46.992 15.194 1.441 491 HD2 HIS 58 HD2 HIS 58 47.093 11.931 4.080 492 HE1 HIS 58 HE1 HIS 58 45.134 15.532 3.130 493 HE2 HIS 58 HE2 HIS 58 45.242 13.555 4.711 494 H HIS 59 HN HIS 59 49.452 15.788 3.510 495 HA HIS 59 HA HIS 59 50.093 14.213 5.869 496 HB2 HIS 59 HB2 HIS 59 51.334 16.979 5.298 497 HB3 HIS 59 HB1 HIS 59 51.381 16.106 6.870 498 HD1 HIS 59 HD1 HIS 59 52.883 16.026 3.407 499 HD2 HIS 59 HD2 HIS 59 53.213 13.936 7.032 500 HE1 HIS 59 HE1 HIS 59 54.935 14.551 3.242 501 HE2 HIS 59 HE2 HIS 59 55.091 13.300 5.440 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 36.478 0.235 6.784 2 H2 MET 1 HT2 MET 1 36.458 -1.407 7.210 3 H3 MET 1 HT3 MET 1 37.895 -0.694 6.649 4 HA MET 1 HA MET 1 37.955 -1.014 8.998 5 HB2 MET 1 HB2 MET 1 37.681 1.962 8.194 6 HB3 MET 1 HB1 MET 1 38.489 1.370 9.685 7 HG2 MET 1 HG2 MET 1 39.320 0.894 6.760 8 HG3 MET 1 HG1 MET 1 40.102 1.992 7.928 9 HE1 MET 1 HE1 MET 1 40.270 0.336 10.654 10 HE2 MET 1 HE2 MET 1 41.555 1.346 9.901 11 HE3 MET 1 HE3 MET 1 41.925 -0.324 10.450 12 H LEU 2 HN LEU 2 36.052 1.988 9.058 13 HA LEU 2 HA LEU 2 34.200 0.779 10.945 14 HB2 LEU 2 HB2 LEU 2 34.471 3.718 10.053 15 HB3 LEU 2 HB1 LEU 2 33.433 3.089 11.381 16 HG LEU 2 HG LEU 2 36.476 2.899 11.189 17 HD11 LEU 2 HD11 LEU 2 34.773 4.852 12.873 18 HD12 LEU 2 HD12 LEU 2 35.748 5.272 11.414 19 HD13 LEU 2 HD13 LEU 2 36.571 4.711 12.917 20 HD21 LEU 2 HD21 LEU 2 36.400 2.312 13.645 21 HD22 LEU 2 HD22 LEU 2 35.597 1.090 12.593 22 HD23 LEU 2 HD23 LEU 2 34.595 2.255 13.540 23 H LYS 3 HN LYS 3 34.234 3.042 8.269 24 HA LYS 3 HA LYS 3 31.582 2.357 7.367 25 HB2 LYS 3 HB2 LYS 3 32.353 4.712 7.197 26 HB3 LYS 3 HB1 LYS 3 33.707 4.208 6.144 27 HG2 LYS 3 HG2 LYS 3 31.902 5.252 4.834 28 HG3 LYS 3 HG1 LYS 3 32.150 3.546 4.347 29 HD2 LYS 3 HD2 LYS 3 29.781 4.065 4.358 30 HD3 LYS 3 HD1 LYS 3 30.124 2.862 5.644 31 HE2 LYS 3 HE2 LYS 3 30.011 4.694 7.385 32 HE3 LYS 3 HE1 LYS 3 29.698 5.905 6.074 33 HZ1 LYS 3 HZ1 LYS 3 27.692 5.182 7.148 34 HZ2 LYS 3 HZ2 LYS 3 27.996 3.561 6.746 35 HZ3 LYS 3 HZ3 LYS 3 27.698 4.698 5.520 36 H ASP 4 HN ASP 4 31.226 0.549 6.269 37 HA ASP 4 HA ASP 4 32.960 -0.108 4.014 38 HB2 ASP 4 HB2 ASP 4 31.757 -2.119 6.036 39 HB3 ASP 4 HB1 ASP 4 32.490 -2.584 4.454 40 H TYR 5 HN TYR 5 31.535 -1.718 2.615 41 HA TYR 5 HA TYR 5 28.778 -0.668 2.571 42 HB2 TYR 5 HB2 TYR 5 30.631 -1.105 0.187 43 HB3 TYR 5 HB1 TYR 5 28.904 -0.560 0.107 44 HD1 TYR 5 HD1 TYR 5 32.343 0.498 0.438 45 HD2 TYR 5 HD2 TYR 5 28.301 1.595 1.411 46 HE1 TYR 5 HE1 TYR 5 33.067 2.828 0.803 47 HE2 TYR 5 HE2 TYR 5 29.019 3.927 1.775 48 HH TYR 5 HH TYR 5 30.733 5.385 1.777 49 H HIS 6 HN HIS 6 29.062 -2.490 0.007 50 HA HIS 6 HA HIS 6 27.981 -4.868 1.142 51 HB2 HIS 6 HB2 HIS 6 27.426 -3.866 -1.151 52 HB3 HIS 6 HB1 HIS 6 29.047 -4.341 -1.708 53 HD1 HIS 6 HD1 HIS 6 26.012 -6.093 -0.119 54 HD2 HIS 6 HD2 HIS 6 29.112 -6.864 -2.843 55 HE1 HIS 6 HE1 HIS 6 25.647 -8.427 -1.037 56 HE2 HIS 6 HE2 HIS 6 27.540 -8.855 -2.666 57 H LEU 7 HN LEU 7 31.045 -3.641 0.147 58 HA LEU 7 HA LEU 7 32.608 -5.775 -0.418 59 HB2 LEU 7 HB2 LEU 7 33.419 -3.316 1.241 60 HB3 LEU 7 HB1 LEU 7 34.560 -4.412 0.386 61 HG LEU 7 HG LEU 7 32.396 -2.677 -0.958 62 HD11 LEU 7 HD11 LEU 7 34.150 -1.285 0.113 63 HD12 LEU 7 HD12 LEU 7 34.259 -1.208 -1.685 64 HD13 LEU 7 HD13 LEU 7 35.435 -2.209 -0.752 65 HD21 LEU 7 HD21 LEU 7 33.617 -3.184 -3.089 66 HD22 LEU 7 HD22 LEU 7 32.934 -4.672 -2.345 67 HD23 LEU 7 HD23 LEU 7 34.698 -4.321 -2.200 68 H LYS 8 HN LYS 8 33.059 -7.593 0.599 69 HA LYS 8 HA LYS 8 32.903 -7.704 3.531 70 HB2 LYS 8 HB2 LYS 8 31.179 -9.043 2.300 71 HB3 LYS 8 HB1 LYS 8 32.469 -9.864 1.369 72 HG2 LYS 8 HG2 LYS 8 33.367 -10.848 3.512 73 HG3 LYS 8 HG1 LYS 8 32.073 -9.996 4.430 74 HD2 LYS 8 HD2 LYS 8 30.338 -11.274 3.158 75 HD3 LYS 8 HD1 LYS 8 31.634 -12.104 2.223 76 HE2 LYS 8 HE2 LYS 8 32.518 -13.132 4.349 77 HE3 LYS 8 HE1 LYS 8 31.209 -12.304 5.288 78 HZ1 LYS 8 HZ1 LYS 8 29.591 -13.510 3.986 79 HZ2 LYS 8 HZ2 LYS 8 30.660 -14.570 4.773 80 HZ3 LYS 8 HZ3 LYS 8 30.819 -14.286 3.106 81 H GLU 9 HN GLU 9 34.444 -9.199 0.624 82 HA GLU 9 HA GLU 9 36.824 -9.831 2.139 83 HB2 GLU 9 HB2 GLU 9 37.556 -11.153 0.316 84 HB3 GLU 9 HB1 GLU 9 35.869 -11.601 0.701 85 HG2 GLU 9 HG2 GLU 9 36.784 -9.776 -1.601 86 HG3 GLU 9 HG1 GLU 9 36.372 -11.519 -1.756 87 H MET 10 HN MET 10 38.912 -9.426 0.573 88 HA MET 10 HA MET 10 38.793 -6.558 -0.132 89 HB2 MET 10 HB2 MET 10 41.048 -8.180 1.122 90 HB3 MET 10 HB1 MET 10 41.210 -6.493 0.502 91 HG2 MET 10 HG2 MET 10 39.525 -5.696 2.112 92 HG3 MET 10 HG1 MET 10 39.227 -7.365 2.683 93 HE1 MET 10 HE1 MET 10 39.468 -6.669 5.113 94 HE2 MET 10 HE2 MET 10 39.697 -4.978 4.550 95 HE3 MET 10 HE3 MET 10 40.807 -5.674 5.780 96 HA PRO 11 HA PRO 11 40.193 -8.906 -3.814 97 HB2 PRO 11 HB2 PRO 11 38.736 -7.571 -5.768 98 HB3 PRO 11 HB1 PRO 11 38.002 -8.848 -4.723 99 HG2 PRO 11 HG1 PRO 11 37.858 -5.813 -4.339 100 HG3 PRO 11 HG2 PRO 11 36.504 -7.018 -4.282 101 HD2 PRO 11 HD1 PRO 11 37.813 -6.082 -1.997 102 HD3 PRO 11 HD2 PRO 11 37.170 -7.771 -2.097 103 H GLU 12 HN GLU 12 40.044 -5.475 -2.940 104 HA GLU 12 HA GLU 12 42.682 -5.095 -3.883 105 HB2 GLU 12 HB2 GLU 12 41.471 -4.571 -6.034 106 HB3 GLU 12 HB1 GLU 12 40.429 -3.405 -5.156 107 HG2 GLU 12 HG2 GLU 12 42.464 -1.996 -4.627 108 HG3 GLU 12 HG1 GLU 12 43.511 -3.218 -5.440 109 H MET 13 HN MET 13 43.413 -4.280 -1.994 110 HA MET 13 HA MET 13 41.782 -2.319 -0.553 111 HB2 MET 13 HB2 MET 13 43.586 -4.436 0.289 112 HB3 MET 13 HB1 MET 13 44.231 -2.868 0.853 113 HG2 MET 13 HG2 MET 13 41.364 -3.883 1.276 114 HG3 MET 13 HG1 MET 13 42.696 -3.982 2.468 115 HE1 MET 13 HE1 MET 13 41.345 -2.930 4.322 116 HE2 MET 13 HE2 MET 13 39.934 -2.868 3.210 117 HE3 MET 13 HE3 MET 13 40.376 -1.423 4.184 118 H GLU 14 HN GLU 14 43.040 -0.356 0.219 119 HA GLU 14 HA GLU 14 45.330 0.335 -1.375 120 HB2 GLU 14 HB2 GLU 14 44.278 2.309 -2.444 121 HB3 GLU 14 HB1 GLU 14 43.474 0.793 -2.976 122 HG2 GLU 14 HG2 GLU 14 41.561 1.202 -1.444 123 HG3 GLU 14 HG1 GLU 14 42.323 2.733 -0.867 124 H ASP 15 HN ASP 15 42.925 0.991 1.081 125 HA ASP 15 HA ASP 15 44.382 3.245 2.139 126 HB2 ASP 15 HB2 ASP 15 42.007 3.315 2.311 127 HB3 ASP 15 HB1 ASP 15 41.955 1.733 3.200 128 H GLU 16 HN GLU 16 44.313 -0.254 2.422 129 HA GLU 16 HA GLU 16 45.767 -0.544 4.800 130 HB2 GLU 16 HB2 GLU 16 44.647 -2.437 3.582 131 HB3 GLU 16 HB1 GLU 16 45.823 -2.246 2.240 132 HG2 GLU 16 HG2 GLU 16 47.705 -2.837 3.856 133 HG3 GLU 16 HG1 GLU 16 46.481 -3.032 5.164 134 H PHE 17 HN PHE 17 46.728 -0.142 1.326 135 HA PHE 17 HA PHE 17 49.485 -0.086 1.801 136 HB2 PHE 17 HB2 PHE 17 48.455 -0.495 -0.468 137 HB3 PHE 17 HB1 PHE 17 47.832 1.183 -0.487 138 HD1 PHE 17 HD1 PHE 17 49.332 3.050 -0.955 139 HD2 PHE 17 HD2 PHE 17 50.882 -0.935 -0.630 140 HE1 PHE 17 HE1 PHE 17 51.516 3.818 -1.849 141 HE2 PHE 17 HE2 PHE 17 53.036 -0.178 -1.592 142 HZ PHE 17 HZ PHE 17 53.385 2.204 -2.094 143 H LEU 18 HN LEU 18 46.994 2.517 1.737 144 HA LEU 18 HA LEU 18 48.851 4.565 1.584 145 HB2 LEU 18 HB2 LEU 18 46.045 4.227 1.420 146 HB3 LEU 18 HB1 LEU 18 46.200 5.404 2.706 147 HG LEU 18 HG LEU 18 47.248 5.499 -0.191 148 HD11 LEU 18 HD11 LEU 18 45.175 7.261 1.258 149 HD12 LEU 18 HD12 LEU 18 44.821 5.927 0.095 150 HD13 LEU 18 HD13 LEU 18 45.677 7.412 -0.468 151 HD21 LEU 18 HD21 LEU 18 49.006 6.634 1.057 152 HD22 LEU 18 HD22 LEU 18 47.793 7.650 1.939 153 HD23 LEU 18 HD23 LEU 18 48.034 7.837 0.156 154 H GLU 19 HN GLU 19 47.790 2.747 4.381 155 HA GLU 19 HA GLU 19 48.528 4.943 6.198 156 HB2 GLU 19 HB2 GLU 19 46.958 2.378 6.677 157 HB3 GLU 19 HB1 GLU 19 47.481 3.510 7.973 158 HG2 GLU 19 HG2 GLU 19 45.604 4.208 5.620 159 HG3 GLU 19 HG1 GLU 19 45.136 3.919 7.332 160 H TYR 20 HN TYR 20 49.603 2.027 4.742 161 HA TYR 20 HA TYR 20 51.468 1.221 6.802 162 HB2 TYR 20 HB2 TYR 20 50.882 0.509 3.868 163 HB3 TYR 20 HB1 TYR 20 52.336 -0.112 4.591 164 HD1 TYR 20 HD1 TYR 20 49.249 0.128 6.731 165 HD2 TYR 20 HD2 TYR 20 51.863 -2.371 4.423 166 HE1 TYR 20 HE1 TYR 20 48.182 -1.866 7.695 167 HE2 TYR 20 HE2 TYR 20 50.779 -4.382 5.357 168 HH TYR 20 HH TYR 20 49.171 -5.183 6.719 169 H CYS 21 HN CYS 21 51.167 3.418 4.225 170 HA CYS 21 HA CYS 21 53.823 3.490 3.427 171 HB2 CYS 21 HB2 CYS 21 51.761 5.783 3.258 172 HB3 CYS 21 HB1 CYS 21 53.383 5.864 2.510 173 HG CYS 21 HG1 CYS 21 51.662 5.477 0.685 174 H ALA 22 HN ALA 22 52.190 4.760 6.201 175 HA ALA 22 HA ALA 22 53.852 6.908 6.913 176 HB1 ALA 22 HB1 ALA 22 52.701 6.730 9.129 177 HB2 ALA 22 HB2 ALA 22 52.021 5.129 8.637 178 HB3 ALA 22 HB3 ALA 22 51.521 6.628 7.772 179 H LYS 23 HN LYS 23 54.362 3.509 6.924 180 HA LYS 23 HA LYS 23 56.620 3.702 8.759 181 HB2 LYS 23 HB2 LYS 23 55.240 1.568 8.762 182 HB3 LYS 23 HB1 LYS 23 55.661 1.341 7.039 183 HG2 LYS 23 HG2 LYS 23 58.169 1.404 7.835 184 HG3 LYS 23 HG1 LYS 23 57.514 1.326 9.502 185 HD2 LYS 23 HD2 LYS 23 58.133 -0.902 8.860 186 HD3 LYS 23 HD1 LYS 23 56.334 -0.849 8.842 187 HE2 LYS 23 HE2 LYS 23 56.387 -0.627 6.314 188 HE3 LYS 23 HE1 LYS 23 58.196 -0.633 6.363 189 HZ1 LYS 23 HZ1 LYS 23 58.115 -2.831 7.304 190 HZ2 LYS 23 HZ2 LYS 23 57.281 -2.774 5.827 191 HZ3 LYS 23 HZ3 LYS 23 56.415 -2.827 7.288 192 H ASN 24 HN ASN 24 57.406 5.439 7.486 193 HA ASN 24 HA ASN 24 58.069 5.246 4.798 194 HB2 ASN 24 HB2 ASN 24 59.263 7.111 6.924 195 HB3 ASN 24 HB1 ASN 24 59.531 7.248 5.150 196 HD21 ASN 24 HD21 ASN 24 56.046 8.633 6.861 197 HD22 ASN 24 HD22 ASN 24 57.293 7.881 7.799 198 HA PRO 25 HA PRO 25 62.490 3.899 6.072 199 HB2 PRO 25 HB2 PRO 25 62.546 2.287 8.461 200 HB3 PRO 25 HB1 PRO 25 63.160 3.990 8.318 201 HG2 PRO 25 HG1 PRO 25 60.422 3.026 9.282 202 HG3 PRO 25 HG2 PRO 25 61.479 4.313 10.002 203 HD2 PRO 25 HD1 PRO 25 59.369 5.005 8.416 204 HD3 PRO 25 HD2 PRO 25 60.964 5.840 8.159 205 H SER 26 HN SER 26 63.087 2.007 5.033 206 HA SER 26 HA SER 26 62.894 0.140 4.020 207 HB2 SER 26 HB2 SER 26 61.468 -0.737 6.584 208 HB3 SER 26 HB1 SER 26 61.873 -1.887 5.231 209 HG SER 26 HG1 SER 26 63.437 -1.819 6.842 210 H TYR 27 HN TYR 27 61.627 1.715 2.736 211 HA TYR 27 HA TYR 27 58.830 1.476 2.527 212 HB2 TYR 27 HB2 TYR 27 58.987 2.982 0.706 213 HB3 TYR 27 HB1 TYR 27 60.252 3.533 1.861 214 HD1 TYR 27 HD1 TYR 27 59.565 3.147 -1.493 215 HD2 TYR 27 HD2 TYR 27 62.675 2.124 1.293 216 HE1 TYR 27 HE1 TYR 27 61.151 3.022 -3.331 217 HE2 TYR 27 HE2 TYR 27 64.276 1.943 -0.564 218 HH TYR 27 HH TYR 27 63.278 2.545 -3.967 219 H GLU 28 HN GLU 28 61.566 -0.161 1.372 220 HA GLU 28 HA GLU 28 60.752 -1.356 -0.966 221 HB2 GLU 28 HB2 GLU 28 62.568 -3.129 -0.178 222 HB3 GLU 28 HB1 GLU 28 63.059 -1.454 -0.583 223 HG2 GLU 28 HG2 GLU 28 63.189 -0.767 1.740 224 HG3 GLU 28 HG1 GLU 28 62.484 -2.308 2.331 225 H GLU 29 HN GLU 29 60.098 -2.177 2.464 226 HA GLU 29 HA GLU 29 59.084 -4.777 1.853 227 HB2 GLU 29 HB2 GLU 29 58.770 -2.983 4.315 228 HB3 GLU 29 HB1 GLU 29 58.171 -4.680 4.202 229 HG2 GLU 29 HG2 GLU 29 60.493 -5.503 3.804 230 HG3 GLU 29 HG1 GLU 29 61.133 -3.827 3.928 231 H ALA 30 HN ALA 30 57.759 -1.456 2.035 232 HA ALA 30 HA ALA 30 55.037 -2.331 1.999 233 HB1 ALA 30 HB1 ALA 30 56.241 0.441 1.397 234 HB2 ALA 30 HB2 ALA 30 55.668 -0.125 3.005 235 HB3 ALA 30 HB3 ALA 30 54.492 0.080 1.659 236 H TYR 31 HN TYR 31 57.548 -1.944 -0.397 237 HA TYR 31 HA TYR 31 55.703 -1.727 -2.626 238 HB2 TYR 31 HB2 TYR 31 57.916 -0.655 -2.916 239 HB3 TYR 31 HB1 TYR 31 58.719 -2.048 -2.228 240 HD1 TYR 31 HD1 TYR 31 60.290 -2.515 -3.924 241 HD2 TYR 31 HD2 TYR 31 56.160 -2.096 -4.981 242 HE1 TYR 31 HE1 TYR 31 60.777 -3.418 -6.168 243 HE2 TYR 31 HE2 TYR 31 56.608 -3.067 -7.199 244 HH TYR 31 HH TYR 31 58.170 -3.886 -8.603 245 H LEU 32 HN LEU 32 58.072 -4.135 -1.382 246 HA LEU 32 HA LEU 32 57.429 -5.977 -3.347 247 HB2 LEU 32 HB2 LEU 32 58.941 -6.198 -0.698 248 HB3 LEU 32 HB1 LEU 32 58.919 -7.513 -1.912 249 HG LEU 32 HG LEU 32 59.851 -4.638 -2.550 250 HD11 LEU 32 HD11 LEU 32 61.261 -5.576 -0.699 251 HD12 LEU 32 HD12 LEU 32 62.191 -5.412 -2.235 252 HD13 LEU 32 HD13 LEU 32 61.611 -7.035 -1.699 253 HD21 LEU 32 HD21 LEU 32 61.041 -5.708 -4.465 254 HD22 LEU 32 HD22 LEU 32 59.265 -5.976 -4.559 255 HD23 LEU 32 HD23 LEU 32 60.349 -7.312 -4.015 256 H LYS 33 HN LYS 33 56.098 -5.575 -0.114 257 HA LYS 33 HA LYS 33 54.964 -8.124 0.212 258 HB2 LYS 33 HB2 LYS 33 55.084 -6.385 2.091 259 HB3 LYS 33 HB1 LYS 33 53.928 -5.394 1.193 260 HG2 LYS 33 HG2 LYS 33 52.708 -8.012 1.510 261 HG3 LYS 33 HG1 LYS 33 53.524 -7.620 3.057 262 HD2 LYS 33 HD2 LYS 33 52.372 -5.366 3.058 263 HD3 LYS 33 HD1 LYS 33 51.573 -5.809 1.506 264 HE2 LYS 33 HE2 LYS 33 50.050 -6.066 3.422 265 HE3 LYS 33 HE1 LYS 33 50.350 -7.685 2.658 266 HZ1 LYS 33 HZ1 LYS 33 50.416 -7.784 5.045 267 HZ2 LYS 33 HZ2 LYS 33 51.644 -6.613 5.115 268 HZ3 LYS 33 HZ3 LYS 33 51.952 -8.124 4.403 269 H PHE 34 HN PHE 34 53.680 -5.029 -1.083 270 HA PHE 34 HA PHE 34 51.149 -6.111 -1.825 271 HB2 PHE 34 HB2 PHE 34 52.555 -3.396 -2.283 272 HB3 PHE 34 HB1 PHE 34 50.916 -3.754 -2.904 273 HD1 PHE 34 HD1 PHE 34 52.963 -3.527 0.194 274 HD2 PHE 34 HD2 PHE 34 49.002 -3.625 -1.453 275 HE1 PHE 34 HE1 PHE 34 52.073 -2.755 2.337 276 HE2 PHE 34 HE2 PHE 34 48.089 -2.856 0.719 277 HZ PHE 34 HZ PHE 34 49.628 -2.410 2.625 278 H GLY 35 HN GLY 35 53.234 -4.139 -3.952 279 HA2 GLY 35 HA2 GLY 35 54.520 -5.766 -5.478 280 HA3 GLY 35 HA1 GLY 35 52.851 -5.926 -6.176 281 H ASP 36 HN ASP 36 52.581 -4.626 -7.888 282 HA ASP 36 HA ASP 36 54.284 -2.437 -8.350 283 HB2 ASP 36 HB2 ASP 36 51.708 -3.232 -9.813 284 HB3 ASP 36 HB1 ASP 36 52.988 -2.129 -10.445 285 H LYS 37 HN LYS 37 51.852 -2.558 -6.183 286 HA LYS 37 HA LYS 37 50.223 -0.385 -6.606 287 HB2 LYS 37 HB2 LYS 37 49.907 -2.298 -4.978 288 HB3 LYS 37 HB1 LYS 37 51.185 -1.582 -3.966 289 HG2 LYS 37 HG2 LYS 37 49.017 -1.043 -3.065 290 HG3 LYS 37 HG1 LYS 37 49.782 0.479 -3.633 291 HD2 LYS 37 HD2 LYS 37 48.347 0.538 -5.613 292 HD3 LYS 37 HD1 LYS 37 47.763 -1.141 -5.299 293 HE2 LYS 37 HE2 LYS 37 46.701 -0.374 -3.165 294 HE3 LYS 37 HE1 LYS 37 47.205 1.330 -3.517 295 HZ1 LYS 37 HZ1 LYS 37 45.921 1.229 -5.551 296 HZ2 LYS 37 HZ2 LYS 37 44.950 0.907 -4.196 297 HZ3 LYS 37 HZ3 LYS 37 45.439 -0.363 -5.212 298 H LEU 38 HN LEU 38 53.466 -0.672 -5.067 299 HA LEU 38 HA LEU 38 53.419 2.054 -4.145 300 HB2 LEU 38 HB2 LEU 38 54.731 0.196 -2.922 301 HB3 LEU 38 HB1 LEU 38 55.787 0.107 -4.294 302 HG LEU 38 HG LEU 38 55.421 2.865 -3.138 303 HD11 LEU 38 HD11 LEU 38 56.915 0.733 -1.500 304 HD12 LEU 38 HD12 LEU 38 55.358 1.516 -1.048 305 HD13 LEU 38 HD13 LEU 38 56.863 2.501 -1.169 306 HD21 LEU 38 HD21 LEU 38 57.936 1.233 -3.864 307 HD22 LEU 38 HD22 LEU 38 57.898 2.983 -3.414 308 HD23 LEU 38 HD23 LEU 38 57.098 2.422 -4.930 309 H LEU 39 HN LEU 39 54.542 0.361 -7.059 310 HA LEU 39 HA LEU 39 56.247 2.372 -7.959 311 HB2 LEU 39 HB2 LEU 39 54.585 0.389 -9.602 312 HB3 LEU 39 HB1 LEU 39 55.960 1.362 -10.213 313 HG LEU 39 HG LEU 39 56.058 -0.827 -8.052 314 HD11 LEU 39 HD11 LEU 39 57.196 -0.757 -10.913 315 HD12 LEU 39 HD12 LEU 39 55.716 -1.642 -10.387 316 HD13 LEU 39 HD13 LEU 39 57.331 -2.122 -9.738 317 HD21 LEU 39 HD21 LEU 39 58.375 0.869 -9.189 318 HD22 LEU 39 HD22 LEU 39 58.565 -0.611 -8.178 319 HD23 LEU 39 HD23 LEU 39 57.786 0.850 -7.482 320 H GLU 40 HN GLU 40 52.743 1.792 -8.577 321 HA GLU 40 HA GLU 40 52.517 4.014 -10.322 322 HB2 GLU 40 HB2 GLU 40 50.046 3.659 -10.077 323 HB3 GLU 40 HB1 GLU 40 50.954 2.209 -10.648 324 HG2 GLU 40 HG2 GLU 40 50.847 1.236 -8.355 325 HG3 GLU 40 HG1 GLU 40 50.047 2.699 -7.740 326 H TYR 41 HN TYR 41 52.006 3.633 -6.764 327 HA TYR 41 HA TYR 41 50.545 6.085 -6.555 328 HB2 TYR 41 HB2 TYR 41 51.637 3.957 -4.665 329 HB3 TYR 41 HB1 TYR 41 51.405 5.575 -3.972 330 HD1 TYR 41 HD1 TYR 41 49.125 4.168 -6.652 331 HD2 TYR 41 HD2 TYR 41 49.651 5.118 -2.468 332 HE1 TYR 41 HE1 TYR 41 46.762 3.750 -6.265 333 HE2 TYR 41 HE2 TYR 41 47.270 4.633 -2.093 334 HH TYR 41 HH TYR 41 45.294 4.066 -3.008 335 H GLU 42 HN GLU 42 53.868 5.126 -6.647 336 HA GLU 42 HA GLU 42 55.011 7.475 -5.518 337 HB2 GLU 42 HB2 GLU 42 56.136 5.241 -5.764 338 HB3 GLU 42 HB1 GLU 42 56.284 5.522 -7.526 339 HG2 GLU 42 HG2 GLU 42 57.489 7.262 -5.261 340 HG3 GLU 42 HG1 GLU 42 58.364 5.944 -6.112 341 H LEU 43 HN LEU 43 54.352 6.350 -8.856 342 HA LEU 43 HA LEU 43 55.207 8.727 -10.114 343 HB2 LEU 43 HB2 LEU 43 53.481 6.340 -10.971 344 HB3 LEU 43 HB1 LEU 43 53.966 7.618 -12.123 345 HG LEU 43 HG LEU 43 55.946 5.886 -10.528 346 HD11 LEU 43 HD11 LEU 43 54.583 4.471 -12.049 347 HD12 LEU 43 HD12 LEU 43 56.289 4.594 -12.619 348 HD13 LEU 43 HD13 LEU 43 54.994 5.545 -13.440 349 HD21 LEU 43 HD21 LEU 43 56.956 8.037 -11.243 350 HD22 LEU 43 HD22 LEU 43 56.400 7.758 -12.937 351 HD23 LEU 43 HD23 LEU 43 57.632 6.669 -12.195 352 H LEU 44 HN LEU 44 52.290 7.892 -8.432 353 HA LEU 44 HA LEU 44 50.513 9.540 -9.919 354 HB2 LEU 44 HB2 LEU 44 49.680 7.534 -8.877 355 HB3 LEU 44 HB1 LEU 44 50.330 8.047 -7.294 356 HG LEU 44 HG LEU 44 48.663 9.769 -7.061 357 HD11 LEU 44 HD11 LEU 44 47.636 8.987 -9.874 358 HD12 LEU 44 HD12 LEU 44 48.402 10.556 -9.419 359 HD13 LEU 44 HD13 LEU 44 46.803 10.106 -8.730 360 HD21 LEU 44 HD21 LEU 44 47.370 7.133 -7.992 361 HD22 LEU 44 HD22 LEU 44 46.618 8.368 -6.912 362 HD23 LEU 44 HD23 LEU 44 48.081 7.462 -6.368 363 H GLY 45 HN GLY 45 51.343 9.689 -6.369 364 HA2 GLY 45 HA2 GLY 45 52.725 11.751 -5.959 365 HA3 GLY 45 HA1 GLY 45 51.260 12.610 -6.584 366 H LYS 46 HN LYS 46 50.859 9.593 -4.836 367 HA LYS 46 HA LYS 46 49.563 10.984 -2.639 368 HB2 LYS 46 HB2 LYS 46 49.830 8.061 -3.405 369 HB3 LYS 46 HB1 LYS 46 49.150 8.602 -1.825 370 HG2 LYS 46 HG2 LYS 46 47.476 10.008 -3.006 371 HG3 LYS 46 HG1 LYS 46 48.061 9.405 -4.595 372 HD2 LYS 46 HD2 LYS 46 47.348 7.129 -4.063 373 HD3 LYS 46 HD1 LYS 46 47.010 7.578 -2.350 374 HE2 LYS 46 HE2 LYS 46 45.201 9.143 -3.101 375 HE3 LYS 46 HE1 LYS 46 45.505 8.672 -4.823 376 HZ1 LYS 46 HZ1 LYS 46 43.669 7.466 -3.879 377 HZ2 LYS 46 HZ2 LYS 46 44.641 6.855 -2.628 378 HZ3 LYS 46 HZ3 LYS 46 44.942 6.401 -4.236 379 H ILE 47 HN ILE 47 52.155 8.575 -3.259 380 HA ILE 47 HA ILE 47 53.722 9.615 -0.987 381 HB ILE 47 HB ILE 47 55.170 7.661 -1.373 382 HG12 ILE 47 HG12 ILE 47 52.863 6.359 -2.873 383 HG13 ILE 47 HG11 ILE 47 53.952 7.400 -3.813 384 HG21 ILE 47 HG21 ILE 47 53.716 6.105 -0.163 385 HG22 ILE 47 HG22 ILE 47 52.237 7.012 -0.654 386 HG23 ILE 47 HG23 ILE 47 53.450 7.779 0.448 387 HD11 ILE 47 HD1 ILE 47 54.779 5.038 -2.141 388 HD12 ILE 47 HD2 ILE 47 55.934 6.065 -3.068 389 HD13 ILE 47 HD3 ILE 47 54.701 5.054 -3.929 390 H LYS 48 HN LYS 48 56.126 9.730 -1.698 391 HA LYS 48 HA LYS 48 56.492 9.248 -4.500 392 HB2 LYS 48 HB2 LYS 48 57.801 11.724 -3.164 393 HB3 LYS 48 HB1 LYS 48 58.135 11.161 -4.836 394 HG2 LYS 48 HG2 LYS 48 55.800 11.697 -5.501 395 HG3 LYS 48 HG1 LYS 48 55.460 12.314 -3.844 396 HD2 LYS 48 HD2 LYS 48 57.599 13.431 -5.758 397 HD3 LYS 48 HD1 LYS 48 55.953 14.118 -5.502 398 HE2 LYS 48 HE2 LYS 48 56.508 14.531 -3.069 399 HE3 LYS 48 HE1 LYS 48 58.182 13.899 -3.359 400 HZ1 LYS 48 HZ1 LYS 48 58.090 16.278 -3.457 401 HZ2 LYS 48 HZ2 LYS 48 56.937 16.237 -4.704 402 HZ3 LYS 48 HZ3 LYS 48 58.503 15.640 -4.976 403 H ARG 49 HN ARG 49 59.128 9.344 -4.751 404 HA ARG 49 HA ARG 49 60.454 8.559 -2.297 405 HB2 ARG 49 HB2 ARG 49 59.715 6.396 -3.364 406 HB3 ARG 49 HB1 ARG 49 60.586 6.840 -4.861 407 HG2 ARG 49 HG2 ARG 49 61.964 6.581 -2.095 408 HG3 ARG 49 HG1 ARG 49 61.649 5.199 -3.195 409 HD2 ARG 49 HD2 ARG 49 63.041 6.289 -4.994 410 HD3 ARG 49 HD1 ARG 49 63.501 7.587 -3.809 411 HE ARG 49 HE ARG 49 63.942 4.947 -2.677 412 HH11 ARG 49 HH11 ARG 49 66.096 4.059 -2.632 413 HH12 ARG 49 HH12 ARG 49 67.349 4.755 -3.604 414 HH21 ARG 49 HH21 ARG 49 65.290 7.276 -5.037 415 HH22 ARG 49 HH22 ARG 49 66.885 6.606 -4.987 416 H ILE 50 HN ILE 50 62.409 9.728 -2.350 417 HA ILE 50 HA ILE 50 63.445 10.500 -4.939 418 HB ILE 50 HB ILE 50 61.928 12.324 -4.481 419 HG12 ILE 50 HG12 ILE 50 63.482 14.259 -4.412 420 HG13 ILE 50 HG11 ILE 50 64.841 13.186 -3.958 421 HG21 ILE 50 HG21 ILE 50 63.353 12.693 -1.771 422 HG22 ILE 50 HG22 ILE 50 61.690 12.032 -2.013 423 HG23 ILE 50 HG23 ILE 50 62.062 13.729 -2.468 424 HD11 ILE 50 HD1 ILE 50 63.190 12.986 -6.573 425 HD12 ILE 50 HD2 ILE 50 64.629 11.980 -6.155 426 HD13 ILE 50 HD3 ILE 50 64.816 13.750 -6.414 427 H ASN 51 HN ASN 51 63.752 10.306 -1.368 428 HA ASN 51 HA ASN 51 66.548 10.900 -1.545 429 HB2 ASN 51 HB2 ASN 51 65.052 11.754 0.311 430 HB3 ASN 51 HB1 ASN 51 64.881 10.083 0.922 431 HD21 ASN 51 HD21 ASN 51 68.597 12.067 1.144 432 HD22 ASN 51 HD22 ASN 51 67.496 12.415 -0.147 433 H HIS 52 HN HIS 52 65.400 8.321 0.626 434 HA HIS 52 HA HIS 52 66.662 6.301 -1.072 435 HB2 HIS 52 HB2 HIS 52 67.726 5.215 0.827 436 HB3 HIS 52 HB1 HIS 52 68.374 6.873 0.631 437 HD1 HIS 52 HD1 HIS 52 68.481 5.188 3.276 438 HD2 HIS 52 HD2 HIS 52 65.742 8.268 2.493 439 HE1 HIS 52 HE1 HIS 52 67.737 6.120 5.510 440 HE2 HIS 52 HE2 HIS 52 66.098 7.982 4.992 441 H ILE 53 HN ILE 53 64.161 7.459 1.018 442 HA ILE 53 HA ILE 53 62.772 4.886 0.918 443 HB ILE 53 HB ILE 53 61.766 5.366 3.087 444 HG12 ILE 53 HG12 ILE 53 63.926 7.566 3.336 445 HG13 ILE 53 HG11 ILE 53 62.170 7.845 3.124 446 HG21 ILE 53 HG21 ILE 53 63.692 4.521 4.395 447 HG22 ILE 53 HG22 ILE 53 64.837 5.056 3.116 448 HG23 ILE 53 HG23 ILE 53 63.638 3.750 2.777 449 HD11 ILE 53 HD1 ILE 53 61.764 6.454 5.197 450 HD12 ILE 53 HD2 ILE 53 62.590 8.040 5.494 451 HD13 ILE 53 HD3 ILE 53 63.536 6.502 5.534 452 H VAL 54 HN VAL 54 60.299 5.536 1.543 453 HA VAL 54 HA VAL 54 59.607 7.437 -0.451 454 HB VAL 54 HB VAL 54 57.217 7.086 0.297 455 HG11 VAL 54 HG11 VAL 54 58.166 5.969 -1.630 456 HG12 VAL 54 HG12 VAL 54 57.141 4.805 -0.705 457 HG13 VAL 54 HG13 VAL 54 58.940 4.751 -0.563 458 HG21 VAL 54 HG21 VAL 54 57.629 6.428 2.674 459 HG22 VAL 54 HG22 VAL 54 58.528 4.966 2.139 460 HG23 VAL 54 HG23 VAL 54 56.773 5.128 1.781 461 H VAL 55 HN VAL 55 58.398 9.375 -0.114 462 HA VAL 55 HA VAL 55 58.330 10.429 2.628 463 HB VAL 55 HB VAL 55 58.063 12.681 1.606 464 HG11 VAL 55 HG11 VAL 55 60.673 11.202 0.841 465 HG12 VAL 55 HG12 VAL 55 60.264 11.855 2.473 466 HG13 VAL 55 HG13 VAL 55 60.475 12.977 1.078 467 HG21 VAL 55 HG21 VAL 55 58.692 13.026 -0.793 468 HG22 VAL 55 HG22 VAL 55 57.230 11.993 -0.674 469 HG23 VAL 55 HG23 VAL 55 58.834 11.253 -1.040 470 H LEU 56 HN LEU 56 56.249 11.442 3.138 471 HA LEU 56 HA LEU 56 54.023 10.400 1.521 472 HB2 LEU 56 HB2 LEU 56 54.137 11.829 4.238 473 HB3 LEU 56 HB1 LEU 56 52.606 11.419 3.399 474 HG LEU 56 HG LEU 56 54.639 9.256 4.178 475 HD11 LEU 56 HD11 LEU 56 52.303 10.341 5.875 476 HD12 LEU 56 HD12 LEU 56 54.061 10.516 6.238 477 HD13 LEU 56 HD13 LEU 56 53.298 8.884 6.245 478 HD21 LEU 56 HD21 LEU 56 51.616 9.177 3.573 479 HD22 LEU 56 HD22 LEU 56 52.617 7.787 4.130 480 HD23 LEU 56 HD23 LEU 56 52.943 8.546 2.524 481 H ALA 57 HN ALA 57 52.570 11.915 0.614 482 HA ALA 57 HA ALA 57 53.577 14.582 0.147 483 HB1 ALA 57 HB1 ALA 57 51.550 14.886 -1.258 484 HB2 ALA 57 HB2 ALA 57 50.889 13.318 -0.651 485 HB3 ALA 57 HB3 ALA 57 52.374 13.341 -1.667 486 H HIS 58 HN HIS 58 52.346 13.295 2.865 487 HA HIS 58 HA HIS 58 50.220 15.121 3.468 488 HB2 HIS 58 HB2 HIS 58 51.769 13.196 5.303 489 HB3 HIS 58 HB1 HIS 58 50.211 14.013 5.691 490 HD1 HIS 58 HD1 HIS 58 49.965 11.191 6.044 491 HD2 HIS 58 HD2 HIS 58 49.683 12.739 2.152 492 HE1 HIS 58 HE1 HIS 58 48.773 9.462 4.629 493 HE2 HIS 58 HE2 HIS 58 48.629 10.430 2.293 494 H HIS 59 HN HIS 59 50.385 16.435 5.548 495 HA HIS 59 HA HIS 59 53.087 17.479 6.007 496 HB2 HIS 59 HB2 HIS 59 50.528 19.151 5.653 497 HB3 HIS 59 HB1 HIS 59 52.161 19.793 6.066 498 HD1 HIS 59 HD1 HIS 59 54.041 19.110 4.103 499 HD2 HIS 59 HD2 HIS 59 50.007 19.109 2.944 500 HE1 HIS 59 HE1 HIS 59 53.984 19.202 1.571 501 HE2 HIS 59 HE2 HIS 59 51.536 19.183 0.915 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 38.367 -25.661 7.487 2 H2 MET 1 HT2 MET 1 37.361 -26.630 8.454 3 H3 MET 1 HT3 MET 1 37.303 -24.937 8.597 4 HA MET 1 HA MET 1 35.430 -25.768 7.401 5 HB2 MET 1 HB2 MET 1 37.414 -24.280 5.558 6 HB3 MET 1 HB1 MET 1 35.623 -24.281 5.377 7 HG2 MET 1 HG2 MET 1 37.213 -23.061 7.704 8 HG3 MET 1 HG1 MET 1 36.451 -22.189 6.344 9 HE1 MET 1 HE1 MET 1 35.372 -20.579 8.005 10 HE2 MET 1 HE2 MET 1 36.123 -21.477 9.369 11 HE3 MET 1 HE3 MET 1 34.377 -21.054 9.424 12 H LEU 2 HN LEU 2 35.856 -25.793 4.352 13 HA LEU 2 HA LEU 2 36.383 -28.663 4.091 14 HB2 LEU 2 HB2 LEU 2 34.960 -26.594 2.332 15 HB3 LEU 2 HB1 LEU 2 35.516 -28.159 1.663 16 HG LEU 2 HG LEU 2 34.183 -29.405 3.322 17 HD11 LEU 2 HD11 LEU 2 32.228 -28.270 4.453 18 HD12 LEU 2 HD12 LEU 2 32.936 -26.667 4.028 19 HD13 LEU 2 HD13 LEU 2 33.809 -27.781 5.149 20 HD21 LEU 2 HD21 LEU 2 33.412 -29.020 0.994 21 HD22 LEU 2 HD22 LEU 2 32.596 -27.491 1.497 22 HD23 LEU 2 HD23 LEU 2 32.018 -29.076 2.136 23 H LYS 3 HN LYS 3 37.423 -29.037 1.751 24 HA LYS 3 HA LYS 3 40.030 -27.845 1.933 25 HB2 LYS 3 HB2 LYS 3 39.720 -30.264 1.534 26 HB3 LYS 3 HB1 LYS 3 38.896 -29.937 -0.020 27 HG2 LYS 3 HG2 LYS 3 41.740 -28.892 0.492 28 HG3 LYS 3 HG1 LYS 3 41.463 -30.633 0.148 29 HD2 LYS 3 HD2 LYS 3 40.380 -30.099 -2.018 30 HD3 LYS 3 HD1 LYS 3 40.596 -28.345 -1.719 31 HE2 LYS 3 HE2 LYS 3 42.361 -29.119 -3.247 32 HE3 LYS 3 HE1 LYS 3 43.103 -28.659 -1.660 33 HZ1 LYS 3 HZ1 LYS 3 42.441 -31.416 -2.562 34 HZ2 LYS 3 HZ2 LYS 3 43.135 -30.989 -1.071 35 HZ3 LYS 3 HZ3 LYS 3 43.985 -30.708 -2.515 36 H ASP 4 HN ASP 4 40.627 -26.043 0.884 37 HA ASP 4 HA ASP 4 38.956 -25.064 -1.324 38 HB2 ASP 4 HB2 ASP 4 40.958 -23.571 0.483 39 HB3 ASP 4 HB1 ASP 4 39.978 -22.826 -0.838 40 H TYR 5 HN TYR 5 40.262 -23.798 -2.977 41 HA TYR 5 HA TYR 5 42.521 -25.503 -3.774 42 HB2 TYR 5 HB2 TYR 5 40.536 -23.974 -5.508 43 HB3 TYR 5 HB1 TYR 5 41.853 -25.068 -6.104 44 HD1 TYR 5 HD1 TYR 5 38.438 -24.889 -4.873 45 HD2 TYR 5 HD2 TYR 5 41.818 -27.506 -5.333 46 HE1 TYR 5 HE1 TYR 5 36.968 -26.842 -4.539 47 HE2 TYR 5 HE2 TYR 5 40.351 -29.463 -5.008 48 HH TYR 5 HH TYR 5 36.830 -29.085 -4.392 49 H HIS 6 HN HIS 6 42.644 -23.354 -6.018 50 HA HIS 6 HA HIS 6 44.680 -21.748 -4.757 51 HB2 HIS 6 HB2 HIS 6 43.696 -22.054 -7.623 52 HB3 HIS 6 HB1 HIS 6 45.029 -20.956 -7.148 53 HD1 HIS 6 HD1 HIS 6 44.218 -24.696 -7.155 54 HD2 HIS 6 HD2 HIS 6 47.533 -22.128 -6.961 55 HE1 HIS 6 HE1 HIS 6 46.296 -26.135 -7.317 56 HE2 HIS 6 HE2 HIS 6 48.270 -24.551 -7.193 57 H LEU 7 HN LEU 7 41.425 -21.458 -4.717 58 HA LEU 7 HA LEU 7 40.991 -19.061 -6.087 59 HB2 LEU 7 HB2 LEU 7 39.325 -20.331 -3.830 60 HB3 LEU 7 HB1 LEU 7 38.746 -19.059 -4.961 61 HG LEU 7 HG LEU 7 39.625 -21.906 -5.753 62 HD11 LEU 7 HD11 LEU 7 37.570 -21.942 -4.368 63 HD12 LEU 7 HD12 LEU 7 37.217 -22.392 -6.077 64 HD13 LEU 7 HD13 LEU 7 36.785 -20.748 -5.470 65 HD21 LEU 7 HD21 LEU 7 39.945 -20.322 -7.643 66 HD22 LEU 7 HD22 LEU 7 38.259 -19.708 -7.438 67 HD23 LEU 7 HD23 LEU 7 38.549 -21.411 -7.958 68 H LYS 8 HN LYS 8 41.173 -16.986 -5.490 69 HA LYS 8 HA LYS 8 41.738 -16.325 -2.684 70 HB2 LYS 8 HB2 LYS 8 43.849 -16.367 -4.128 71 HB3 LYS 8 HB1 LYS 8 43.076 -15.177 -5.223 72 HG2 LYS 8 HG2 LYS 8 42.984 -13.529 -3.324 73 HG3 LYS 8 HG1 LYS 8 43.751 -14.744 -2.240 74 HD2 LYS 8 HD2 LYS 8 45.773 -14.763 -3.725 75 HD3 LYS 8 HD1 LYS 8 45.001 -13.545 -4.798 76 HE2 LYS 8 HE2 LYS 8 45.720 -13.117 -1.811 77 HE3 LYS 8 HE1 LYS 8 46.655 -12.489 -3.229 78 HZ1 LYS 8 HZ1 LYS 8 44.726 -11.216 -3.872 79 HZ2 LYS 8 HZ2 LYS 8 45.212 -10.835 -2.290 80 HZ3 LYS 8 HZ3 LYS 8 43.843 -11.807 -2.548 81 H GLU 9 HN GLU 9 40.869 -14.136 -2.124 82 HA GLU 9 HA GLU 9 38.810 -13.263 -3.973 83 HB2 GLU 9 HB2 GLU 9 38.025 -11.840 -2.099 84 HB3 GLU 9 HB1 GLU 9 37.930 -13.604 -1.770 85 HG2 GLU 9 HG2 GLU 9 40.008 -13.504 -0.395 86 HG3 GLU 9 HG1 GLU 9 40.121 -11.725 -0.673 87 H MET 10 HN MET 10 39.292 -11.536 -5.239 88 HA MET 10 HA MET 10 41.493 -9.790 -4.358 89 HB2 MET 10 HB2 MET 10 41.000 -10.897 -7.162 90 HB3 MET 10 HB1 MET 10 42.119 -9.534 -6.793 91 HG2 MET 10 HG2 MET 10 43.508 -10.959 -5.381 92 HG3 MET 10 HG1 MET 10 42.394 -12.344 -5.564 93 HE1 MET 10 HE1 MET 10 42.851 -13.744 -9.047 94 HE2 MET 10 HE2 MET 10 41.546 -12.672 -8.440 95 HE3 MET 10 HE3 MET 10 42.231 -13.947 -7.373 96 HA PRO 11 HA PRO 11 37.876 -7.214 -5.398 97 HB2 PRO 11 HB2 PRO 11 37.599 -5.880 -3.015 98 HB3 PRO 11 HB1 PRO 11 37.040 -7.574 -3.206 99 HG2 PRO 11 HG1 PRO 11 39.730 -6.674 -2.030 100 HG3 PRO 11 HG2 PRO 11 38.491 -7.769 -1.281 101 HD2 PRO 11 HD1 PRO 11 40.647 -8.770 -2.734 102 HD3 PRO 11 HD2 PRO 11 39.030 -9.551 -2.806 103 H GLU 12 HN GLU 12 38.882 -4.728 -3.459 104 HA GLU 12 HA GLU 12 41.314 -4.056 -4.832 105 HB2 GLU 12 HB2 GLU 12 39.615 -3.174 -6.460 106 HB3 GLU 12 HB1 GLU 12 38.783 -2.315 -5.130 107 HG2 GLU 12 HG2 GLU 12 40.179 -0.764 -6.490 108 HG3 GLU 12 HG1 GLU 12 40.773 -0.836 -4.795 109 H MET 13 HN MET 13 42.445 -3.823 -2.988 110 HA MET 13 HA MET 13 41.457 -1.884 -1.027 111 HB2 MET 13 HB2 MET 13 42.645 -3.016 0.722 112 HB3 MET 13 HB1 MET 13 41.481 -4.142 -0.066 113 HG2 MET 13 HG2 MET 13 43.394 -5.089 -1.442 114 HG3 MET 13 HG1 MET 13 44.474 -3.946 -0.582 115 HE1 MET 13 HE1 MET 13 42.318 -7.724 1.137 116 HE2 MET 13 HE2 MET 13 42.335 -7.163 -0.570 117 HE3 MET 13 HE3 MET 13 41.407 -6.251 0.671 118 H GLU 14 HN GLU 14 42.999 -0.289 -0.401 119 HA GLU 14 HA GLU 14 45.538 -0.197 -1.728 120 HB2 GLU 14 HB2 GLU 14 44.968 1.654 -3.283 121 HB3 GLU 14 HB1 GLU 14 43.924 0.235 -3.629 122 HG2 GLU 14 HG2 GLU 14 42.037 1.286 -2.326 123 HG3 GLU 14 HG1 GLU 14 43.049 2.748 -2.053 124 H ASP 15 HN ASP 15 43.024 0.991 0.315 125 HA ASP 15 HA ASP 15 44.552 3.323 1.092 126 HB2 ASP 15 HB2 ASP 15 42.808 3.966 2.531 127 HB3 ASP 15 HB1 ASP 15 42.092 3.520 0.952 128 H GLU 16 HN GLU 16 44.212 -0.013 1.910 129 HA GLU 16 HA GLU 16 45.333 -0.075 4.467 130 HB2 GLU 16 HB2 GLU 16 44.297 -2.063 3.315 131 HB3 GLU 16 HB1 GLU 16 45.620 -2.032 2.106 132 HG2 GLU 16 HG2 GLU 16 47.287 -2.474 4.023 133 HG3 GLU 16 HG1 GLU 16 45.879 -2.602 5.139 134 H PHE 17 HN PHE 17 46.721 -0.038 1.141 135 HA PHE 17 HA PHE 17 49.404 -0.122 1.811 136 HB2 PHE 17 HB2 PHE 17 48.618 -0.550 -0.487 137 HB3 PHE 17 HB1 PHE 17 47.929 1.090 -0.598 138 HD1 PHE 17 HD1 PHE 17 51.137 -0.800 -0.352 139 HD2 PHE 17 HD2 PHE 17 49.252 2.952 -1.226 140 HE1 PHE 17 HE1 PHE 17 53.266 0.048 -1.290 141 HE2 PHE 17 HE2 PHE 17 51.409 3.824 -2.091 142 HZ PHE 17 HZ PHE 17 53.425 2.399 -2.039 143 H LEU 18 HN LEU 18 47.121 2.657 1.562 144 HA LEU 18 HA LEU 18 49.101 4.637 1.709 145 HB2 LEU 18 HB2 LEU 18 46.079 4.554 2.128 146 HB3 LEU 18 HB1 LEU 18 46.947 6.078 2.376 147 HG LEU 18 HG LEU 18 47.034 4.436 -0.222 148 HD11 LEU 18 HD11 LEU 18 44.723 5.297 0.285 149 HD12 LEU 18 HD12 LEU 18 45.451 6.054 -1.173 150 HD13 LEU 18 HD13 LEU 18 45.383 6.972 0.381 151 HD21 LEU 18 HD21 LEU 18 47.934 6.528 -1.267 152 HD22 LEU 18 HD22 LEU 18 49.039 5.886 -0.006 153 HD23 LEU 18 HD23 LEU 18 47.995 7.313 0.355 154 H GLU 19 HN GLU 19 47.635 2.678 4.241 155 HA GLU 19 HA GLU 19 48.268 4.688 6.287 156 HB2 GLU 19 HB2 GLU 19 46.865 1.987 6.429 157 HB3 GLU 19 HB1 GLU 19 47.267 2.989 7.867 158 HG2 GLU 19 HG2 GLU 19 45.432 3.858 5.538 159 HG3 GLU 19 HG1 GLU 19 44.923 3.310 7.173 160 H TYR 20 HN TYR 20 49.488 1.851 4.724 161 HA TYR 20 HA TYR 20 51.231 0.947 6.826 162 HB2 TYR 20 HB2 TYR 20 50.758 0.367 3.842 163 HB3 TYR 20 HB1 TYR 20 52.171 -0.310 4.596 164 HD1 TYR 20 HD1 TYR 20 51.841 -2.552 4.577 165 HD2 TYR 20 HD2 TYR 20 48.861 -0.069 6.406 166 HE1 TYR 20 HE1 TYR 20 50.722 -4.564 5.466 167 HE2 TYR 20 HE2 TYR 20 47.740 -2.064 7.310 168 HH TYR 20 HH TYR 20 48.990 -5.374 6.662 169 H CYS 21 HN CYS 21 51.182 3.172 4.199 170 HA CYS 21 HA CYS 21 53.917 3.118 3.672 171 HB2 CYS 21 HB2 CYS 21 51.796 5.214 2.970 172 HB3 CYS 21 HB1 CYS 21 53.515 5.498 2.565 173 HG CYS 21 HG1 CYS 21 53.931 3.398 1.214 174 H ALA 22 HN ALA 22 52.157 4.470 6.259 175 HA ALA 22 HA ALA 22 53.697 6.728 6.916 176 HB1 ALA 22 HB1 ALA 22 52.501 6.569 9.108 177 HB2 ALA 22 HB2 ALA 22 51.924 4.913 8.663 178 HB3 ALA 22 HB3 ALA 22 51.363 6.345 7.726 179 H LYS 23 HN LYS 23 54.360 3.364 7.040 180 HA LYS 23 HA LYS 23 56.563 3.689 8.918 181 HB2 LYS 23 HB2 LYS 23 55.211 1.545 9.013 182 HB3 LYS 23 HB1 LYS 23 55.670 1.225 7.312 183 HG2 LYS 23 HG2 LYS 23 58.128 1.240 8.066 184 HG3 LYS 23 HG1 LYS 23 57.557 1.496 9.745 185 HD2 LYS 23 HD2 LYS 23 58.098 -0.852 9.462 186 HD3 LYS 23 HD1 LYS 23 56.321 -0.686 9.660 187 HE2 LYS 23 HE2 LYS 23 56.892 -2.381 7.915 188 HE3 LYS 23 HE1 LYS 23 56.018 -0.990 7.165 189 HZ1 LYS 23 HZ1 LYS 23 58.958 -1.431 7.168 190 HZ2 LYS 23 HZ2 LYS 23 58.152 -0.107 6.474 191 HZ3 LYS 23 HZ3 LYS 23 57.895 -1.673 5.868 192 H ASN 24 HN ASN 24 57.402 5.342 7.605 193 HA ASN 24 HA ASN 24 58.073 5.101 4.942 194 HB2 ASN 24 HB2 ASN 24 59.311 6.931 7.076 195 HB3 ASN 24 HB1 ASN 24 59.580 7.082 5.310 196 HD21 ASN 24 HD21 ASN 24 56.218 8.673 7.002 197 HD22 ASN 24 HD22 ASN 24 57.541 8.033 7.919 198 HA PRO 25 HA PRO 25 62.469 3.647 6.162 199 HB2 PRO 25 HB2 PRO 25 62.481 1.969 8.511 200 HB3 PRO 25 HB1 PRO 25 63.149 3.655 8.411 201 HG2 PRO 25 HG1 PRO 25 60.385 2.750 9.360 202 HG3 PRO 25 HG2 PRO 25 61.481 3.989 10.106 203 HD2 PRO 25 HD1 PRO 25 59.387 4.777 8.547 204 HD3 PRO 25 HD2 PRO 25 61.003 5.574 8.302 205 H SER 26 HN SER 26 63.059 1.722 5.145 206 HA SER 26 HA SER 26 62.814 -0.126 4.088 207 HB2 SER 26 HB2 SER 26 61.250 -0.965 6.579 208 HB3 SER 26 HB1 SER 26 61.642 -2.110 5.220 209 HG SER 26 HG1 SER 26 63.147 -2.162 6.882 210 H TYR 27 HN TYR 27 61.670 1.538 2.770 211 HA TYR 27 HA TYR 27 58.870 1.463 2.525 212 HB2 TYR 27 HB2 TYR 27 59.109 2.959 0.734 213 HB3 TYR 27 HB1 TYR 27 60.418 3.422 1.885 214 HD1 TYR 27 HD1 TYR 27 59.713 3.374 -1.415 215 HD2 TYR 27 HD2 TYR 27 62.704 1.714 1.194 216 HE1 TYR 27 HE1 TYR 27 61.211 3.071 -3.329 217 HE2 TYR 27 HE2 TYR 27 64.223 1.441 -0.715 218 HH TYR 27 HH TYR 27 63.230 2.352 -4.049 219 H GLU 28 HN GLU 28 61.506 -0.320 1.370 220 HA GLU 28 HA GLU 28 60.624 -1.477 -0.969 221 HB2 GLU 28 HB2 GLU 28 62.384 -3.305 -0.195 222 HB3 GLU 28 HB1 GLU 28 62.930 -1.648 -0.596 223 HG2 GLU 28 HG2 GLU 28 63.096 -0.973 1.730 224 HG3 GLU 28 HG1 GLU 28 62.361 -2.498 2.325 225 H GLU 29 HN GLU 29 59.967 -2.233 2.472 226 HA GLU 29 HA GLU 29 58.895 -4.811 1.927 227 HB2 GLU 29 HB2 GLU 29 58.604 -2.929 4.320 228 HB3 GLU 29 HB1 GLU 29 57.942 -4.606 4.266 229 HG2 GLU 29 HG2 GLU 29 60.197 -5.562 3.974 230 HG3 GLU 29 HG1 GLU 29 60.933 -3.924 3.896 231 H ALA 30 HN ALA 30 57.600 -1.463 1.988 232 HA ALA 30 HA ALA 30 54.878 -2.362 1.907 233 HB1 ALA 30 HB1 ALA 30 56.080 0.417 1.319 234 HB2 ALA 30 HB2 ALA 30 55.455 -0.137 2.913 235 HB3 ALA 30 HB3 ALA 30 54.325 0.049 1.525 236 H TYR 31 HN TYR 31 57.452 -1.822 -0.448 237 HA TYR 31 HA TYR 31 55.656 -1.564 -2.692 238 HB2 TYR 31 HB2 TYR 31 57.866 -0.506 -2.926 239 HB3 TYR 31 HB1 TYR 31 58.653 -1.906 -2.243 240 HD1 TYR 31 HD1 TYR 31 60.258 -2.384 -3.910 241 HD2 TYR 31 HD2 TYR 31 56.164 -1.870 -5.056 242 HE1 TYR 31 HE1 TYR 31 60.776 -3.282 -6.150 243 HE2 TYR 31 HE2 TYR 31 56.633 -2.857 -7.261 244 HH TYR 31 HH TYR 31 59.966 -3.891 -8.161 245 H LEU 32 HN LEU 32 57.964 -4.043 -1.489 246 HA LEU 32 HA LEU 32 57.309 -5.842 -3.499 247 HB2 LEU 32 HB2 LEU 32 58.780 -6.158 -0.835 248 HB3 LEU 32 HB1 LEU 32 58.760 -7.427 -2.097 249 HG LEU 32 HG LEU 32 59.742 -4.542 -2.614 250 HD11 LEU 32 HD11 LEU 32 61.109 -5.566 -0.774 251 HD12 LEU 32 HD12 LEU 32 62.066 -5.358 -2.287 252 HD13 LEU 32 HD13 LEU 32 61.457 -6.992 -1.821 253 HD21 LEU 32 HD21 LEU 32 60.230 -7.171 -4.163 254 HD22 LEU 32 HD22 LEU 32 60.952 -5.562 -4.545 255 HD23 LEU 32 HD23 LEU 32 59.174 -5.802 -4.679 256 H LYS 33 HN LYS 33 55.973 -5.478 -0.254 257 HA LYS 33 HA LYS 33 54.798 -8.031 -0.024 258 HB2 LYS 33 HB2 LYS 33 55.054 -6.438 1.933 259 HB3 LYS 33 HB1 LYS 33 53.889 -5.344 1.173 260 HG2 LYS 33 HG2 LYS 33 52.681 -8.020 1.405 261 HG3 LYS 33 HG1 LYS 33 53.402 -7.549 2.977 262 HD2 LYS 33 HD2 LYS 33 52.157 -5.433 2.994 263 HD3 LYS 33 HD1 LYS 33 51.561 -5.744 1.318 264 HE2 LYS 33 HE2 LYS 33 50.157 -7.581 2.039 265 HE3 LYS 33 HE1 LYS 33 50.810 -7.515 3.737 266 HZ1 LYS 33 HZ1 LYS 33 48.680 -6.445 3.521 267 HZ2 LYS 33 HZ2 LYS 33 49.276 -5.382 2.339 268 HZ3 LYS 33 HZ3 LYS 33 49.875 -5.309 3.926 269 H PHE 34 HN PHE 34 53.599 -4.848 -1.187 270 HA PHE 34 HA PHE 34 51.021 -5.854 -1.934 271 HB2 PHE 34 HB2 PHE 34 52.454 -3.138 -2.230 272 HB3 PHE 34 HB1 PHE 34 50.829 -3.439 -2.916 273 HD1 PHE 34 HD1 PHE 34 52.786 -3.449 0.261 274 HD2 PHE 34 HD2 PHE 34 48.873 -3.421 -1.499 275 HE1 PHE 34 HE1 PHE 34 51.829 -2.987 2.451 276 HE2 PHE 34 HE2 PHE 34 47.896 -2.910 0.720 277 HZ PHE 34 HZ PHE 34 49.383 -2.629 2.703 278 H GLY 35 HN GLY 35 53.096 -3.818 -4.003 279 HA2 GLY 35 HA2 GLY 35 54.399 -5.422 -5.542 280 HA3 GLY 35 HA1 GLY 35 52.743 -5.562 -6.272 281 H ASP 36 HN ASP 36 52.467 -4.222 -7.938 282 HA ASP 36 HA ASP 36 54.187 -2.036 -8.368 283 HB2 ASP 36 HB2 ASP 36 51.622 -2.854 -9.846 284 HB3 ASP 36 HB1 ASP 36 52.803 -1.621 -10.419 285 H LYS 37 HN LYS 37 51.752 -2.208 -6.202 286 HA LYS 37 HA LYS 37 50.143 -0.014 -6.542 287 HB2 LYS 37 HB2 LYS 37 49.849 -1.969 -4.943 288 HB3 LYS 37 HB1 LYS 37 51.153 -1.262 -3.963 289 HG2 LYS 37 HG2 LYS 37 49.245 -0.621 -2.870 290 HG3 LYS 37 HG1 LYS 37 49.629 0.879 -3.770 291 HD2 LYS 37 HD2 LYS 37 47.532 -1.252 -4.592 292 HD3 LYS 37 HD1 LYS 37 47.192 0.197 -3.585 293 HE2 LYS 37 HE2 LYS 37 47.921 1.690 -5.505 294 HE3 LYS 37 HE1 LYS 37 48.072 0.214 -6.543 295 HZ1 LYS 37 HZ1 LYS 37 45.757 -0.254 -6.130 296 HZ2 LYS 37 HZ2 LYS 37 45.969 1.280 -6.825 297 HZ3 LYS 37 HZ3 LYS 37 45.606 1.140 -5.172 298 H LEU 38 HN LEU 38 53.386 -0.352 -5.014 299 HA LEU 38 HA LEU 38 53.418 2.381 -4.111 300 HB2 LEU 38 HB2 LEU 38 54.707 0.452 -2.911 301 HB3 LEU 38 HB1 LEU 38 55.736 0.338 -4.296 302 HG LEU 38 HG LEU 38 55.491 3.103 -3.119 303 HD11 LEU 38 HD11 LEU 38 56.956 2.663 -1.178 304 HD12 LEU 38 HD12 LEU 38 56.911 0.895 -1.513 305 HD13 LEU 38 HD13 LEU 38 55.406 1.756 -1.032 306 HD21 LEU 38 HD21 LEU 38 57.110 2.607 -4.940 307 HD22 LEU 38 HD22 LEU 38 57.917 1.369 -3.905 308 HD23 LEU 38 HD23 LEU 38 57.968 3.115 -3.435 309 H LEU 39 HN LEU 39 54.466 0.663 -7.037 310 HA LEU 39 HA LEU 39 56.207 2.685 -7.908 311 HB2 LEU 39 HB2 LEU 39 54.646 0.627 -9.552 312 HB3 LEU 39 HB1 LEU 39 56.018 1.620 -10.143 313 HG LEU 39 HG LEU 39 56.098 -0.512 -7.922 314 HD11 LEU 39 HD11 LEU 39 57.457 -1.816 -9.545 315 HD12 LEU 39 HD12 LEU 39 57.281 -0.497 -10.765 316 HD13 LEU 39 HD13 LEU 39 55.831 -1.421 -10.219 317 HD21 LEU 39 HD21 LEU 39 58.599 -0.249 -7.983 318 HD22 LEU 39 HD22 LEU 39 57.776 1.221 -7.361 319 HD23 LEU 39 HD23 LEU 39 58.414 1.192 -9.050 320 H GLU 40 HN GLU 40 52.737 2.008 -8.621 321 HA GLU 40 HA GLU 40 52.509 4.111 -10.490 322 HB2 GLU 40 HB2 GLU 40 50.062 3.706 -10.340 323 HB3 GLU 40 HB1 GLU 40 51.006 2.200 -10.649 324 HG2 GLU 40 HG2 GLU 40 50.811 1.679 -8.157 325 HG3 GLU 40 HG1 GLU 40 49.769 3.106 -7.961 326 H TYR 41 HN TYR 41 51.914 3.901 -6.965 327 HA TYR 41 HA TYR 41 50.502 6.394 -6.844 328 HB2 TYR 41 HB2 TYR 41 51.581 4.294 -4.890 329 HB3 TYR 41 HB1 TYR 41 51.236 5.884 -4.230 330 HD1 TYR 41 HD1 TYR 41 49.606 4.899 -2.760 331 HD2 TYR 41 HD2 TYR 41 48.956 4.832 -7.030 332 HE1 TYR 41 HE1 TYR 41 47.234 4.356 -2.415 333 HE2 TYR 41 HE2 TYR 41 46.604 4.360 -6.664 334 HH TYR 41 HH TYR 41 45.236 3.982 -3.364 335 H GLU 42 HN GLU 42 53.805 5.440 -6.983 336 HA GLU 42 HA GLU 42 54.868 7.834 -5.777 337 HB2 GLU 42 HB2 GLU 42 56.079 5.651 -5.773 338 HB3 GLU 42 HB1 GLU 42 56.211 5.729 -7.564 339 HG2 GLU 42 HG2 GLU 42 57.592 7.872 -7.293 340 HG3 GLU 42 HG1 GLU 42 57.476 7.664 -5.503 341 H LEU 43 HN LEU 43 54.236 6.546 -9.053 342 HA LEU 43 HA LEU 43 55.269 8.772 -10.463 343 HB2 LEU 43 HB2 LEU 43 53.382 6.458 -11.176 344 HB3 LEU 43 HB1 LEU 43 53.904 7.656 -12.398 345 HG LEU 43 HG LEU 43 55.856 5.925 -10.775 346 HD11 LEU 43 HD11 LEU 43 54.755 5.422 -13.611 347 HD12 LEU 43 HD12 LEU 43 54.369 4.467 -12.129 348 HD13 LEU 43 HD13 LEU 43 56.049 4.475 -12.782 349 HD21 LEU 43 HD21 LEU 43 56.912 7.978 -11.691 350 HD22 LEU 43 HD22 LEU 43 56.273 7.595 -13.334 351 HD23 LEU 43 HD23 LEU 43 57.495 6.517 -12.562 352 H LEU 44 HN LEU 44 52.255 8.092 -8.833 353 HA LEU 44 HA LEU 44 50.645 9.873 -10.359 354 HB2 LEU 44 HB2 LEU 44 49.688 7.866 -9.444 355 HB3 LEU 44 HB1 LEU 44 50.240 8.303 -7.803 356 HG LEU 44 HG LEU 44 48.608 10.029 -7.591 357 HD11 LEU 44 HD11 LEU 44 48.605 11.053 -9.870 358 HD12 LEU 44 HD12 LEU 44 46.931 10.609 -9.388 359 HD13 LEU 44 HD13 LEU 44 47.835 9.571 -10.554 360 HD21 LEU 44 HD21 LEU 44 47.863 7.673 -7.220 361 HD22 LEU 44 HD22 LEU 44 47.274 7.587 -8.920 362 HD23 LEU 44 HD23 LEU 44 46.502 8.731 -7.758 363 H GLY 45 HN GLY 45 51.316 9.869 -6.774 364 HA2 GLY 45 HA2 GLY 45 52.810 11.738 -6.154 365 HA3 GLY 45 HA1 GLY 45 51.558 12.800 -6.921 366 H LYS 46 HN LYS 46 51.440 9.864 -4.847 367 HA LYS 46 HA LYS 46 49.693 11.304 -2.964 368 HB2 LYS 46 HB2 LYS 46 49.954 8.306 -3.484 369 HB3 LYS 46 HB1 LYS 46 48.878 9.079 -2.269 370 HG2 LYS 46 HG2 LYS 46 47.760 10.339 -4.222 371 HG3 LYS 46 HG1 LYS 46 48.770 9.358 -5.337 372 HD2 LYS 46 HD2 LYS 46 46.653 8.338 -5.326 373 HD3 LYS 46 HD1 LYS 46 47.701 7.260 -4.340 374 HE2 LYS 46 HE2 LYS 46 46.644 8.160 -2.243 375 HE3 LYS 46 HE1 LYS 46 45.712 9.368 -3.218 376 HZ1 LYS 46 HZ1 LYS 46 44.400 7.456 -2.643 377 HZ2 LYS 46 HZ2 LYS 46 45.483 6.413 -3.432 378 HZ3 LYS 46 HZ3 LYS 46 44.606 7.559 -4.325 379 H ILE 47 HN ILE 47 52.274 8.935 -3.488 380 HA ILE 47 HA ILE 47 53.663 9.686 -1.000 381 HB ILE 47 HB ILE 47 54.898 7.559 -1.379 382 HG12 ILE 47 HG12 ILE 47 52.569 7.054 -3.356 383 HG13 ILE 47 HG11 ILE 47 54.279 7.324 -3.822 384 HG21 ILE 47 HG21 ILE 47 53.191 6.176 -0.329 385 HG22 ILE 47 HG22 ILE 47 51.862 7.244 -0.914 386 HG23 ILE 47 HG23 ILE 47 53.047 7.854 0.311 387 HD11 ILE 47 HD1 ILE 47 54.953 5.355 -2.584 388 HD12 ILE 47 HD2 ILE 47 53.771 4.923 -3.872 389 HD13 ILE 47 HD3 ILE 47 53.257 4.954 -2.142 390 H LYS 48 HN LYS 48 56.124 9.647 -1.450 391 HA LYS 48 HA LYS 48 56.812 9.766 -4.264 392 HB2 LYS 48 HB2 LYS 48 57.895 11.837 -2.238 393 HB3 LYS 48 HB1 LYS 48 58.322 11.748 -3.977 394 HG2 LYS 48 HG2 LYS 48 55.993 12.391 -4.592 395 HG3 LYS 48 HG1 LYS 48 55.549 12.500 -2.856 396 HD2 LYS 48 HD2 LYS 48 57.662 14.210 -4.308 397 HD3 LYS 48 HD1 LYS 48 56.002 14.730 -3.858 398 HE2 LYS 48 HE2 LYS 48 58.287 14.008 -1.891 399 HE3 LYS 48 HE1 LYS 48 57.645 15.656 -2.257 400 HZ1 LYS 48 HZ1 LYS 48 56.121 13.422 -1.027 401 HZ2 LYS 48 HZ2 LYS 48 55.525 14.976 -1.366 402 HZ3 LYS 48 HZ3 LYS 48 56.766 14.773 -0.224 403 H ARG 49 HN ARG 49 59.197 9.479 -4.525 404 HA ARG 49 HA ARG 49 60.669 8.748 -2.157 405 HB2 ARG 49 HB2 ARG 49 59.659 6.558 -2.775 406 HB3 ARG 49 HB1 ARG 49 60.323 6.707 -4.433 407 HG2 ARG 49 HG2 ARG 49 62.262 6.950 -2.101 408 HG3 ARG 49 HG1 ARG 49 61.517 5.352 -2.393 409 HD2 ARG 49 HD2 ARG 49 62.392 5.308 -4.734 410 HD3 ARG 49 HD1 ARG 49 63.104 6.960 -4.505 411 HE ARG 49 HE ARG 49 63.902 4.819 -2.562 412 HH11 ARG 49 HH11 ARG 49 66.141 4.206 -2.558 413 HH12 ARG 49 HH12 ARG 49 67.221 4.818 -3.766 414 HH21 ARG 49 HH21 ARG 49 64.762 6.741 -5.462 415 HH22 ARG 49 HH22 ARG 49 66.429 6.275 -5.432 416 H ILE 50 HN ILE 50 62.873 9.296 -2.537 417 HA ILE 50 HA ILE 50 63.772 9.661 -5.210 418 HB ILE 50 HB ILE 50 62.550 11.743 -5.048 419 HG12 ILE 50 HG12 ILE 50 64.343 13.425 -5.328 420 HG13 ILE 50 HG11 ILE 50 65.566 12.274 -4.709 421 HG21 ILE 50 HG21 ILE 50 62.929 13.417 -3.296 422 HG22 ILE 50 HG22 ILE 50 64.102 12.349 -2.454 423 HG23 ILE 50 HG23 ILE 50 62.362 11.879 -2.560 424 HD11 ILE 50 HD1 ILE 50 65.537 12.410 -7.225 425 HD12 ILE 50 HD2 ILE 50 63.822 11.856 -7.236 426 HD13 ILE 50 HD3 ILE 50 65.129 10.750 -6.663 427 H ASN 51 HN ASN 51 64.181 10.022 -1.680 428 HA ASN 51 HA ASN 51 66.995 10.345 -1.894 429 HB2 ASN 51 HB2 ASN 51 65.616 11.467 -0.134 430 HB3 ASN 51 HB1 ASN 51 65.200 9.880 0.575 431 HD21 ASN 51 HD21 ASN 51 68.101 9.916 2.624 432 HD22 ASN 51 HD22 ASN 51 66.464 9.413 2.362 433 H HIS 52 HN HIS 52 65.455 8.014 0.343 434 HA HIS 52 HA HIS 52 66.919 5.810 -0.920 435 HB2 HIS 52 HB2 HIS 52 68.291 6.631 1.033 436 HB3 HIS 52 HB1 HIS 52 66.849 6.490 2.089 437 HD1 HIS 52 HD1 HIS 52 68.744 4.140 -0.304 438 HD2 HIS 52 HD2 HIS 52 66.872 4.082 3.453 439 HE1 HIS 52 HE1 HIS 52 69.007 1.801 0.634 440 HE2 HIS 52 HE2 HIS 52 67.858 1.806 2.891 441 H ILE 53 HN ILE 53 64.372 7.140 1.199 442 HA ILE 53 HA ILE 53 62.846 4.641 0.941 443 HB ILE 53 HB ILE 53 61.884 5.078 3.139 444 HG12 ILE 53 HG12 ILE 53 64.192 7.098 3.528 445 HG13 ILE 53 HG11 ILE 53 62.485 7.568 3.205 446 HG21 ILE 53 HG21 ILE 53 63.697 3.410 2.709 447 HG22 ILE 53 HG22 ILE 53 63.779 4.093 4.368 448 HG23 ILE 53 HG23 ILE 53 64.937 4.658 3.111 449 HD11 ILE 53 HD1 ILE 53 61.754 6.228 5.186 450 HD12 ILE 53 HD2 ILE 53 62.800 7.644 5.612 451 HD13 ILE 53 HD3 ILE 53 63.482 5.972 5.642 452 H VAL 54 HN VAL 54 60.485 5.168 1.556 453 HA VAL 54 HA VAL 54 59.604 7.163 -0.266 454 HB VAL 54 HB VAL 54 58.614 4.850 0.032 455 HG11 VAL 54 HG11 VAL 54 57.277 6.048 2.552 456 HG12 VAL 54 HG12 VAL 54 58.621 4.845 2.574 457 HG13 VAL 54 HG13 VAL 54 57.030 4.413 1.850 458 HG21 VAL 54 HG21 VAL 54 56.654 7.207 0.236 459 HG22 VAL 54 HG22 VAL 54 56.275 5.544 -0.330 460 HG23 VAL 54 HG23 VAL 54 57.430 6.555 -1.263 461 H VAL 55 HN VAL 55 58.283 8.996 0.344 462 HA VAL 55 HA VAL 55 58.096 9.585 3.207 463 HB VAL 55 HB VAL 55 58.163 12.015 2.656 464 HG11 VAL 55 HG11 VAL 55 60.734 10.444 1.955 465 HG12 VAL 55 HG12 VAL 55 60.131 10.803 3.617 466 HG13 VAL 55 HG13 VAL 55 60.640 12.148 2.531 467 HG21 VAL 55 HG21 VAL 55 59.173 12.755 0.489 468 HG22 VAL 55 HG22 VAL 55 57.629 11.889 0.198 469 HG23 VAL 55 HG23 VAL 55 59.203 11.061 -0.110 470 H LEU 56 HN LEU 56 56.050 10.621 3.703 471 HA LEU 56 HA LEU 56 53.977 10.108 1.714 472 HB2 LEU 56 HB2 LEU 56 53.860 11.331 4.528 473 HB3 LEU 56 HB1 LEU 56 52.430 11.061 3.479 474 HG LEU 56 HG LEU 56 54.255 8.785 4.441 475 HD11 LEU 56 HD11 LEU 56 52.484 8.358 6.187 476 HD12 LEU 56 HD12 LEU 56 51.662 9.887 5.711 477 HD13 LEU 56 HD13 LEU 56 53.316 9.938 6.428 478 HD21 LEU 56 HD21 LEU 56 52.897 8.142 2.493 479 HD22 LEU 56 HD22 LEU 56 51.402 8.788 3.274 480 HD23 LEU 56 HD23 LEU 56 52.243 7.362 3.984 481 H ALA 57 HN ALA 57 52.682 11.892 0.912 482 HA ALA 57 HA ALA 57 54.107 14.246 0.354 483 HB1 ALA 57 HB1 ALA 57 51.095 13.694 0.108 484 HB2 ALA 57 HB2 ALA 57 52.336 13.421 -1.169 485 HB3 ALA 57 HB3 ALA 57 51.969 15.095 -0.625 486 H HIS 58 HN HIS 58 51.609 13.426 2.814 487 HA HIS 58 HA HIS 58 52.203 15.993 4.138 488 HB2 HIS 58 HB2 HIS 58 49.536 14.448 4.137 489 HB3 HIS 58 HB1 HIS 58 49.918 15.893 5.139 490 HD1 HIS 58 HD1 HIS 58 49.453 14.934 1.474 491 HD2 HIS 58 HD2 HIS 58 49.544 18.351 3.909 492 HE1 HIS 58 HE1 HIS 58 48.733 16.898 0.044 493 HE2 HIS 58 HE2 HIS 58 48.807 18.936 1.547 494 H HIS 59 HN HIS 59 52.737 15.825 6.279 495 HA HIS 59 HA HIS 59 52.449 13.195 7.569 496 HB2 HIS 59 HB2 HIS 59 54.726 15.233 7.890 497 HB3 HIS 59 HB1 HIS 59 54.465 13.812 8.962 498 HD1 HIS 59 HD1 HIS 59 54.618 11.417 7.680 499 HD2 HIS 59 HD2 HIS 59 56.256 14.692 5.629 500 HE1 HIS 59 HE1 HIS 59 56.165 10.493 5.897 501 HE2 HIS 59 HE2 HIS 59 57.130 12.499 4.685 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 26.241 -13.092 1.339 2 H2 MET 1 HT2 MET 1 25.579 -12.534 2.800 3 H3 MET 1 HT3 MET 1 26.725 -13.789 2.811 4 HA MET 1 HA MET 1 27.675 -11.738 3.511 5 HB2 MET 1 HB2 MET 1 29.049 -13.450 2.256 6 HB3 MET 1 HB1 MET 1 28.667 -12.621 0.717 7 HG2 MET 1 HG2 MET 1 30.923 -12.068 1.471 8 HG3 MET 1 HG1 MET 1 29.906 -10.600 1.489 9 HE1 MET 1 HE1 MET 1 31.615 -9.300 2.796 10 HE2 MET 1 HE2 MET 1 32.701 -10.732 2.747 11 HE3 MET 1 HE3 MET 1 32.437 -9.855 4.294 12 H LEU 2 HN LEU 2 27.883 -11.114 0.009 13 HA LEU 2 HA LEU 2 25.935 -9.029 0.073 14 HB2 LEU 2 HB2 LEU 2 28.278 -8.078 0.955 15 HB3 LEU 2 HB1 LEU 2 28.833 -8.310 -0.725 16 HG LEU 2 HG LEU 2 26.960 -6.729 -1.469 17 HD11 LEU 2 HD11 LEU 2 26.594 -6.333 1.571 18 HD12 LEU 2 HD12 LEU 2 25.377 -7.009 0.427 19 HD13 LEU 2 HD13 LEU 2 25.876 -5.285 0.287 20 HD21 LEU 2 HD21 LEU 2 29.291 -5.936 -1.156 21 HD22 LEU 2 HD22 LEU 2 28.955 -5.587 0.582 22 HD23 LEU 2 HD23 LEU 2 28.097 -4.660 -0.707 23 H LYS 3 HN LYS 3 25.964 -8.102 -2.339 24 HA LYS 3 HA LYS 3 26.184 -10.405 -4.084 25 HB2 LYS 3 HB2 LYS 3 24.200 -8.790 -3.983 26 HB3 LYS 3 HB1 LYS 3 25.211 -7.615 -4.862 27 HG2 LYS 3 HG2 LYS 3 24.575 -10.513 -5.764 28 HG3 LYS 3 HG1 LYS 3 23.569 -9.096 -6.202 29 HD2 LYS 3 HD2 LYS 3 26.502 -9.503 -7.105 30 HD3 LYS 3 HD1 LYS 3 25.022 -9.879 -8.027 31 HE2 LYS 3 HE2 LYS 3 25.564 -7.797 -8.908 32 HE3 LYS 3 HE1 LYS 3 24.344 -7.359 -7.646 33 HZ1 LYS 3 HZ1 LYS 3 27.306 -7.207 -7.387 34 HZ2 LYS 3 HZ2 LYS 3 26.181 -6.800 -6.183 35 HZ3 LYS 3 HZ3 LYS 3 26.241 -5.906 -7.626 36 H ASP 4 HN ASP 4 28.120 -10.819 -4.958 37 HA ASP 4 HA ASP 4 29.782 -8.580 -5.883 38 HB2 ASP 4 HB2 ASP 4 30.750 -11.224 -4.605 39 HB3 ASP 4 HB1 ASP 4 31.816 -9.960 -5.329 40 H TYR 5 HN TYR 5 31.355 -9.532 -7.590 41 HA TYR 5 HA TYR 5 29.819 -11.342 -9.339 42 HB2 TYR 5 HB2 TYR 5 31.911 -9.254 -10.073 43 HB3 TYR 5 HB1 TYR 5 30.986 -10.289 -11.233 44 HD1 TYR 5 HD1 TYR 5 31.103 -7.118 -9.652 45 HD2 TYR 5 HD2 TYR 5 28.340 -10.141 -10.967 46 HE1 TYR 5 HE1 TYR 5 29.324 -5.419 -9.811 47 HE2 TYR 5 HE2 TYR 5 26.564 -8.444 -11.142 48 HH TYR 5 HH TYR 5 26.014 -6.269 -10.926 49 H HIS 6 HN HIS 6 32.637 -11.070 -10.721 50 HA HIS 6 HA HIS 6 33.802 -13.483 -9.745 51 HB2 HIS 6 HB2 HIS 6 33.851 -12.611 -12.161 52 HB3 HIS 6 HB1 HIS 6 34.964 -11.327 -11.630 53 HD1 HIS 6 HD1 HIS 6 34.853 -15.170 -11.449 54 HD2 HIS 6 HD2 HIS 6 37.624 -12.048 -11.891 55 HE1 HIS 6 HE1 HIS 6 37.131 -16.226 -11.786 56 HE2 HIS 6 HE2 HIS 6 38.772 -14.312 -12.042 57 H LEU 7 HN LEU 7 34.095 -10.059 -9.298 58 HA LEU 7 HA LEU 7 36.637 -9.745 -8.287 59 HB2 LEU 7 HB2 LEU 7 34.073 -8.179 -7.625 60 HB3 LEU 7 HB1 LEU 7 35.705 -7.725 -7.032 61 HG LEU 7 HG LEU 7 36.489 -7.585 -9.444 62 HD11 LEU 7 HD11 LEU 7 33.461 -7.582 -10.060 63 HD12 LEU 7 HD12 LEU 7 34.681 -8.760 -10.682 64 HD13 LEU 7 HD13 LEU 7 34.758 -7.040 -11.188 65 HD21 LEU 7 HD21 LEU 7 36.052 -5.619 -7.992 66 HD22 LEU 7 HD22 LEU 7 34.318 -5.615 -8.489 67 HD23 LEU 7 HD23 LEU 7 35.608 -5.273 -9.705 68 H LYS 8 HN LYS 8 37.614 -10.011 -6.359 69 HA LYS 8 HA LYS 8 36.076 -11.345 -4.236 70 HB2 LYS 8 HB2 LYS 8 37.646 -12.871 -5.401 71 HB3 LYS 8 HB1 LYS 8 38.982 -11.704 -5.188 72 HG2 LYS 8 HG2 LYS 8 38.780 -11.989 -2.677 73 HG3 LYS 8 HG1 LYS 8 37.499 -13.222 -2.941 74 HD2 LYS 8 HD2 LYS 8 39.089 -14.670 -4.150 75 HD3 LYS 8 HD1 LYS 8 40.358 -13.400 -4.098 76 HE2 LYS 8 HE2 LYS 8 39.171 -14.797 -1.600 77 HE3 LYS 8 HE1 LYS 8 40.744 -15.216 -2.392 78 HZ1 LYS 8 HZ1 LYS 8 41.508 -12.985 -1.946 79 HZ2 LYS 8 HZ2 LYS 8 41.043 -13.775 -0.516 80 HZ3 LYS 8 HZ3 LYS 8 40.036 -12.588 -1.198 81 H GLU 9 HN GLU 9 39.351 -9.794 -4.586 82 HA GLU 9 HA GLU 9 38.847 -8.455 -2.050 83 HB2 GLU 9 HB2 GLU 9 41.335 -8.356 -1.868 84 HB3 GLU 9 HB1 GLU 9 40.673 -10.024 -1.914 85 HG2 GLU 9 HG2 GLU 9 41.276 -10.235 -4.338 86 HG3 GLU 9 HG1 GLU 9 41.941 -8.560 -4.318 87 H MET 10 HN MET 10 39.788 -6.303 -1.810 88 HA MET 10 HA MET 10 39.921 -4.823 -4.350 89 HB2 MET 10 HB2 MET 10 38.699 -3.954 -1.686 90 HB3 MET 10 HB1 MET 10 39.090 -2.850 -3.046 91 HG2 MET 10 HG2 MET 10 36.805 -3.235 -3.292 92 HG3 MET 10 HG1 MET 10 37.615 -4.218 -4.551 93 HE1 MET 10 HE1 MET 10 37.089 -5.030 -0.607 94 HE2 MET 10 HE2 MET 10 35.478 -5.813 -0.691 95 HE3 MET 10 HE3 MET 10 35.660 -4.092 -1.171 96 HA PRO 11 HA PRO 11 43.788 -3.812 -2.120 97 HB2 PRO 11 HB2 PRO 11 45.527 -3.969 -4.257 98 HB3 PRO 11 HB1 PRO 11 44.935 -5.439 -3.407 99 HG2 PRO 11 HG1 PRO 11 43.811 -4.232 -5.991 100 HG3 PRO 11 HG2 PRO 11 44.308 -5.949 -5.678 101 HD2 PRO 11 HD1 PRO 11 41.669 -5.083 -5.436 102 HD3 PRO 11 HD2 PRO 11 42.340 -6.350 -4.339 103 H GLU 12 HN GLU 12 41.946 -1.943 -2.330 104 HA GLU 12 HA GLU 12 43.005 0.187 -4.053 105 HB2 GLU 12 HB2 GLU 12 40.691 -0.842 -4.652 106 HB3 GLU 12 HB1 GLU 12 40.093 -0.119 -3.140 107 HG2 GLU 12 HG2 GLU 12 39.559 1.287 -5.127 108 HG3 GLU 12 HG1 GLU 12 40.684 2.184 -4.052 109 H MET 13 HN MET 13 40.816 1.572 -2.295 110 HA MET 13 HA MET 13 40.749 3.015 -0.726 111 HB2 MET 13 HB2 MET 13 41.990 0.753 0.761 112 HB3 MET 13 HB1 MET 13 41.336 2.228 1.591 113 HG2 MET 13 HG2 MET 13 39.784 0.203 -0.135 114 HG3 MET 13 HG1 MET 13 39.764 0.407 1.636 115 HE1 MET 13 HE1 MET 13 37.786 0.772 -1.351 116 HE2 MET 13 HE2 MET 13 38.856 2.129 -1.845 117 HE3 MET 13 HE3 MET 13 37.132 2.442 -1.458 118 H GLU 14 HN GLU 14 42.542 3.697 1.486 119 HA GLU 14 HA GLU 14 45.089 4.194 0.318 120 HB2 GLU 14 HB2 GLU 14 44.987 6.644 0.271 121 HB3 GLU 14 HB1 GLU 14 43.779 5.969 -0.867 122 HG2 GLU 14 HG2 GLU 14 41.936 6.433 0.770 123 HG3 GLU 14 HG1 GLU 14 43.133 7.100 1.941 124 H ASP 15 HN ASP 15 42.660 4.649 2.821 125 HA ASP 15 HA ASP 15 44.636 5.551 4.699 126 HB2 ASP 15 HB2 ASP 15 43.002 5.688 6.371 127 HB3 ASP 15 HB1 ASP 15 42.379 6.477 4.887 128 H GLU 16 HN GLU 16 43.151 2.586 3.618 129 HA GLU 16 HA GLU 16 43.964 0.817 5.606 130 HB2 GLU 16 HB2 GLU 16 42.342 0.284 3.723 131 HB3 GLU 16 HB1 GLU 16 43.684 0.457 2.558 132 HG2 GLU 16 HG2 GLU 16 43.365 -1.871 2.798 133 HG3 GLU 16 HG1 GLU 16 44.851 -1.543 3.748 134 H PHE 17 HN PHE 17 45.545 2.120 2.640 135 HA PHE 17 HA PHE 17 47.947 0.691 2.910 136 HB2 PHE 17 HB2 PHE 17 47.221 1.672 0.744 137 HB3 PHE 17 HB1 PHE 17 47.241 3.313 1.451 138 HD1 PHE 17 HD1 PHE 17 49.242 4.581 1.477 139 HD2 PHE 17 HD2 PHE 17 49.428 0.386 0.597 140 HE1 PHE 17 HE1 PHE 17 51.643 4.800 0.899 141 HE2 PHE 17 HE2 PHE 17 51.811 0.625 -0.056 142 HZ PHE 17 HZ PHE 17 52.942 2.802 0.230 143 H LEU 18 HN LEU 18 46.813 3.867 4.177 144 HA LEU 18 HA LEU 18 49.333 4.768 4.969 145 HB2 LEU 18 HB2 LEU 18 46.457 5.521 5.490 146 HB3 LEU 18 HB1 LEU 18 47.650 6.299 6.524 147 HG LEU 18 HG LEU 18 47.765 6.325 3.453 148 HD11 LEU 18 HD11 LEU 18 46.692 8.514 5.342 149 HD12 LEU 18 HD12 LEU 18 45.713 7.488 4.226 150 HD13 LEU 18 HD13 LEU 18 46.907 8.659 3.556 151 HD21 LEU 18 HD21 LEU 18 50.000 6.728 4.473 152 HD22 LEU 18 HD22 LEU 18 49.307 8.025 5.517 153 HD23 LEU 18 HD23 LEU 18 49.359 8.231 3.726 154 H GLU 19 HN GLU 19 47.197 2.448 6.546 155 HA GLU 19 HA GLU 19 48.427 3.008 9.159 156 HB2 GLU 19 HB2 GLU 19 46.133 1.185 8.330 157 HB3 GLU 19 HB1 GLU 19 46.823 1.249 9.989 158 HG2 GLU 19 HG2 GLU 19 45.502 3.615 8.502 159 HG3 GLU 19 HG1 GLU 19 44.784 2.621 9.817 160 H TYR 20 HN TYR 20 48.639 0.989 6.372 161 HA TYR 20 HA TYR 20 49.918 -1.274 7.626 162 HB2 TYR 20 HB2 TYR 20 49.320 -0.276 4.779 163 HB3 TYR 20 HB1 TYR 20 50.418 -1.610 4.964 164 HD1 TYR 20 HD1 TYR 20 47.291 -1.135 7.052 165 HD2 TYR 20 HD2 TYR 20 49.417 -3.460 4.143 166 HE1 TYR 20 HE1 TYR 20 45.545 -2.865 7.169 167 HE2 TYR 20 HE2 TYR 20 47.651 -5.184 4.216 168 HH TYR 20 HH TYR 20 44.779 -4.819 6.351 169 H CYS 21 HN CYS 21 50.664 1.823 6.371 170 HA CYS 21 HA CYS 21 53.193 1.242 5.379 171 HB2 CYS 21 HB2 CYS 21 52.118 3.942 6.416 172 HB3 CYS 21 HB1 CYS 21 53.748 3.776 5.701 173 HG CYS 21 HG1 CYS 21 52.243 4.878 3.994 174 H ALA 22 HN ALA 22 51.967 1.782 8.585 175 HA ALA 22 HA ALA 22 54.257 2.592 9.967 176 HB1 ALA 22 HB1 ALA 22 52.930 1.943 11.993 177 HB2 ALA 22 HB2 ALA 22 51.756 1.067 10.932 178 HB3 ALA 22 HB3 ALA 22 51.910 2.855 10.821 179 H LYS 23 HN LYS 23 53.410 -0.415 8.533 180 HA LYS 23 HA LYS 23 55.292 -1.962 10.130 181 HB2 LYS 23 HB2 LYS 23 53.038 -2.857 9.412 182 HB3 LYS 23 HB1 LYS 23 53.674 -2.949 7.750 183 HG2 LYS 23 HG2 LYS 23 55.174 -4.133 10.186 184 HG3 LYS 23 HG1 LYS 23 53.774 -4.977 9.491 185 HD2 LYS 23 HD2 LYS 23 56.353 -4.266 7.977 186 HD3 LYS 23 HD1 LYS 23 55.968 -5.868 8.692 187 HE2 LYS 23 HE2 LYS 23 53.977 -6.084 7.149 188 HE3 LYS 23 HE1 LYS 23 54.421 -4.508 6.373 189 HZ1 LYS 23 HZ1 LYS 23 55.241 -6.376 5.145 190 HZ2 LYS 23 HZ2 LYS 23 56.116 -6.944 6.483 191 HZ3 LYS 23 HZ3 LYS 23 56.533 -5.464 5.763 192 H ASN 24 HN ASN 24 56.914 -0.387 9.541 193 HA ASN 24 HA ASN 24 57.615 0.258 6.963 194 HB2 ASN 24 HB2 ASN 24 59.336 0.394 9.506 195 HB3 ASN 24 HB1 ASN 24 59.728 1.200 7.950 196 HD21 ASN 24 HD21 ASN 24 57.178 3.749 8.246 197 HD22 ASN 24 HD22 ASN 24 58.098 2.821 7.108 198 HA PRO 25 HA PRO 25 61.188 -2.914 7.084 199 HB2 PRO 25 HB2 PRO 25 60.567 -5.370 8.456 200 HB3 PRO 25 HB1 PRO 25 61.679 -4.070 9.068 201 HG2 PRO 25 HG1 PRO 25 58.709 -4.486 9.678 202 HG3 PRO 25 HG2 PRO 25 60.048 -4.071 10.832 203 HD2 PRO 25 HD1 PRO 25 58.379 -2.123 9.905 204 HD3 PRO 25 HD2 PRO 25 60.167 -1.790 9.957 205 H SER 26 HN SER 26 61.262 -4.331 5.279 206 HA SER 26 HA SER 26 60.527 -5.385 3.559 207 HB2 SER 26 HB2 SER 26 58.612 -6.668 5.575 208 HB3 SER 26 HB1 SER 26 58.705 -7.177 3.830 209 HG SER 26 HG1 SER 26 60.659 -7.277 5.860 210 H TYR 27 HN TYR 27 60.074 -3.079 3.120 211 HA TYR 27 HA TYR 27 57.461 -2.077 3.209 212 HB2 TYR 27 HB2 TYR 27 58.304 -0.138 2.199 213 HB3 TYR 27 HB1 TYR 27 59.662 -0.735 3.226 214 HD1 TYR 27 HD1 TYR 27 61.167 -2.611 1.594 215 HD2 TYR 27 HD2 TYR 27 59.043 0.906 0.323 216 HE1 TYR 27 HE1 TYR 27 62.493 -2.562 -0.474 217 HE2 TYR 27 HE2 TYR 27 60.343 0.941 -1.759 218 HH TYR 27 HH TYR 27 61.938 -0.063 -3.000 219 H GLU 28 HN GLU 28 59.302 -3.956 1.066 220 HA GLU 28 HA GLU 28 58.129 -3.627 -1.393 221 HB2 GLU 28 HB2 GLU 28 59.057 -6.118 -1.638 222 HB3 GLU 28 HB1 GLU 28 60.178 -4.734 -1.462 223 HG2 GLU 28 HG2 GLU 28 60.589 -5.147 0.882 224 HG3 GLU 28 HG1 GLU 28 59.312 -6.402 0.994 225 H GLU 29 HN GLU 29 57.153 -5.584 1.461 226 HA GLU 29 HA GLU 29 55.224 -7.096 0.021 227 HB2 GLU 29 HB2 GLU 29 55.592 -6.553 3.010 228 HB3 GLU 29 HB1 GLU 29 54.394 -7.715 2.325 229 HG2 GLU 29 HG2 GLU 29 56.202 -9.060 1.297 230 HG3 GLU 29 HG1 GLU 29 57.447 -7.895 1.866 231 H ALA 30 HN ALA 30 55.224 -3.975 1.784 232 HA ALA 30 HA ALA 30 52.359 -3.751 1.732 233 HB1 ALA 30 HB1 ALA 30 54.527 -1.681 2.423 234 HB2 ALA 30 HB2 ALA 30 53.683 -2.749 3.600 235 HB3 ALA 30 HB3 ALA 30 52.754 -1.492 2.710 236 H TYR 31 HN TYR 31 54.928 -3.167 -0.509 237 HA TYR 31 HA TYR 31 53.544 -1.115 -2.034 238 HB2 TYR 31 HB2 TYR 31 56.007 -0.982 -2.065 239 HB3 TYR 31 HB1 TYR 31 56.137 -2.715 -2.156 240 HD1 TYR 31 HD1 TYR 31 54.145 -0.472 -4.411 241 HD2 TYR 31 HD2 TYR 31 57.585 -2.980 -3.980 242 HE1 TYR 31 HE1 TYR 31 54.450 -0.436 -6.858 243 HE2 TYR 31 HE2 TYR 31 57.971 -2.883 -6.415 244 HH TYR 31 HH TYR 31 55.733 -1.099 -8.595 245 H LEU 32 HN LEU 32 54.633 -4.514 -2.476 246 HA LEU 32 HA LEU 32 53.442 -4.740 -4.963 247 HB2 LEU 32 HB2 LEU 32 54.516 -6.795 -2.967 248 HB3 LEU 32 HB1 LEU 32 54.045 -7.226 -4.640 249 HG LEU 32 HG LEU 32 56.122 -5.036 -3.976 250 HD11 LEU 32 HD11 LEU 32 56.676 -8.013 -4.623 251 HD12 LEU 32 HD12 LEU 32 56.887 -7.229 -3.013 252 HD13 LEU 32 HD13 LEU 32 57.909 -6.712 -4.404 253 HD21 LEU 32 HD21 LEU 32 55.194 -4.872 -6.273 254 HD22 LEU 32 HD22 LEU 32 55.576 -6.609 -6.581 255 HD23 LEU 32 HD23 LEU 32 56.906 -5.420 -6.320 256 H LYS 33 HN LYS 33 52.133 -5.441 -1.784 257 HA LYS 33 HA LYS 33 50.038 -7.154 -2.548 258 HB2 LYS 33 HB2 LYS 33 50.755 -6.838 -0.157 259 HB3 LYS 33 HB1 LYS 33 50.210 -5.151 -0.216 260 HG2 LYS 33 HG2 LYS 33 48.010 -6.972 -1.007 261 HG3 LYS 33 HG1 LYS 33 48.733 -7.496 0.548 262 HD2 LYS 33 HD2 LYS 33 48.423 -5.282 1.536 263 HD3 LYS 33 HD1 LYS 33 47.891 -4.613 -0.055 264 HE2 LYS 33 HE2 LYS 33 45.814 -5.858 -0.010 265 HE3 LYS 33 HE1 LYS 33 46.313 -6.789 1.471 266 HZ1 LYS 33 HZ1 LYS 33 46.323 -4.717 2.682 267 HZ2 LYS 33 HZ2 LYS 33 44.809 -4.995 1.967 268 HZ3 LYS 33 HZ3 LYS 33 45.869 -3.853 1.293 269 H PHE 34 HN PHE 34 50.296 -3.592 -2.172 270 HA PHE 34 HA PHE 34 47.574 -3.113 -2.961 271 HB2 PHE 34 HB2 PHE 34 49.990 -1.317 -2.256 272 HB3 PHE 34 HB1 PHE 34 48.436 -0.635 -2.827 273 HD1 PHE 34 HD1 PHE 34 50.002 -2.735 -0.202 274 HD2 PHE 34 HD2 PHE 34 46.551 -0.447 -1.326 275 HE1 PHE 34 HE1 PHE 34 49.148 -2.946 2.071 276 HE2 PHE 34 HE2 PHE 34 45.707 -0.594 0.998 277 HZ PHE 34 HZ PHE 34 47.028 -1.812 2.728 278 H GLY 35 HN GLY 35 50.443 -1.367 -4.155 279 HA2 GLY 35 HA2 GLY 35 51.277 -2.673 -6.196 280 HA3 GLY 35 HA1 GLY 35 49.828 -1.852 -6.930 281 H ASP 36 HN ASP 36 50.354 0.020 -7.889 282 HA ASP 36 HA ASP 36 52.752 1.350 -7.324 283 HB2 ASP 36 HB2 ASP 36 52.044 3.009 -9.008 284 HB3 ASP 36 HB1 ASP 36 51.861 1.330 -9.603 285 H LYS 37 HN LYS 37 50.153 1.306 -5.388 286 HA LYS 37 HA LYS 37 49.541 3.887 -4.695 287 HB2 LYS 37 HB2 LYS 37 48.337 1.768 -4.035 288 HB3 LYS 37 HB1 LYS 37 49.677 1.422 -2.914 289 HG2 LYS 37 HG2 LYS 37 47.771 2.359 -1.703 290 HG3 LYS 37 HG1 LYS 37 49.164 3.487 -1.614 291 HD2 LYS 37 HD2 LYS 37 47.077 4.714 -1.883 292 HD3 LYS 37 HD1 LYS 37 48.116 4.957 -3.327 293 HE2 LYS 37 HE2 LYS 37 46.713 3.307 -4.622 294 HE3 LYS 37 HE1 LYS 37 45.700 3.017 -3.148 295 HZ1 LYS 37 HZ1 LYS 37 46.036 5.605 -4.573 296 HZ2 LYS 37 HZ2 LYS 37 45.081 5.338 -3.193 297 HZ3 LYS 37 HZ3 LYS 37 44.694 4.568 -4.657 298 H LEU 38 HN LEU 38 52.250 1.757 -3.671 299 HA LEU 38 HA LEU 38 53.154 3.611 -1.657 300 HB2 LEU 38 HB2 LEU 38 53.483 1.045 -1.463 301 HB3 LEU 38 HB1 LEU 38 54.538 1.115 -2.826 302 HG LEU 38 HG LEU 38 55.233 3.005 -0.581 303 HD11 LEU 38 HD11 LEU 38 55.507 -0.032 -0.151 304 HD12 LEU 38 HD12 LEU 38 54.411 1.076 0.749 305 HD13 LEU 38 HD13 LEU 38 56.197 1.264 0.891 306 HD21 LEU 38 HD21 LEU 38 56.722 2.700 -2.556 307 HD22 LEU 38 HD22 LEU 38 56.884 0.945 -2.170 308 HD23 LEU 38 HD23 LEU 38 57.543 2.190 -1.032 309 H LEU 39 HN LEU 39 53.736 3.131 -5.103 310 HA LEU 39 HA LEU 39 56.184 4.543 -5.149 311 HB2 LEU 39 HB2 LEU 39 54.155 4.083 -7.394 312 HB3 LEU 39 HB1 LEU 39 55.831 4.678 -7.596 313 HG LEU 39 HG LEU 39 54.961 1.923 -6.530 314 HD11 LEU 39 HD11 LEU 39 54.593 2.241 -8.967 315 HD12 LEU 39 HD12 LEU 39 55.917 1.055 -8.657 316 HD13 LEU 39 HD13 LEU 39 56.316 2.739 -9.172 317 HD21 LEU 39 HD21 LEU 39 57.085 2.531 -5.409 318 HD22 LEU 39 HD22 LEU 39 57.819 2.997 -6.992 319 HD23 LEU 39 HD23 LEU 39 57.386 1.278 -6.661 320 H GLU 40 HN GLU 40 52.758 5.487 -5.796 321 HA GLU 40 HA GLU 40 53.405 8.133 -6.529 322 HB2 GLU 40 HB2 GLU 40 50.958 8.604 -6.186 323 HB3 GLU 40 HB1 GLU 40 51.294 7.254 -7.329 324 HG2 GLU 40 HG2 GLU 40 50.721 5.592 -5.609 325 HG3 GLU 40 HG1 GLU 40 50.551 6.845 -4.360 326 H TYR 41 HN TYR 41 52.627 6.606 -3.383 327 HA TYR 41 HA TYR 41 52.165 9.116 -2.095 328 HB2 TYR 41 HB2 TYR 41 52.205 6.160 -1.319 329 HB3 TYR 41 HB1 TYR 41 52.467 7.313 -0.021 330 HD1 TYR 41 HD1 TYR 41 50.521 6.849 1.180 331 HD2 TYR 41 HD2 TYR 41 50.171 8.265 -2.881 332 HE1 TYR 41 HE1 TYR 41 48.138 7.377 1.539 333 HE2 TYR 41 HE2 TYR 41 47.835 8.791 -2.509 334 HH TYR 41 HH TYR 41 46.140 8.864 -1.057 335 H GLU 42 HN GLU 42 54.886 7.165 -2.875 336 HA GLU 42 HA GLU 42 56.706 8.257 -0.939 337 HB2 GLU 42 HB2 GLU 42 57.139 6.072 -1.907 338 HB3 GLU 42 HB1 GLU 42 57.102 6.749 -3.572 339 HG2 GLU 42 HG2 GLU 42 59.183 8.079 -3.082 340 HG3 GLU 42 HG1 GLU 42 59.229 7.377 -1.422 341 H LEU 43 HN LEU 43 55.743 8.914 -4.317 342 HA LEU 43 HA LEU 43 57.534 11.092 -4.672 343 HB2 LEU 43 HB2 LEU 43 55.038 10.112 -6.160 344 HB3 LEU 43 HB1 LEU 43 56.011 11.498 -6.738 345 HG LEU 43 HG LEU 43 57.149 8.675 -6.309 346 HD11 LEU 43 HD11 LEU 43 56.147 9.961 -8.926 347 HD12 LEU 43 HD12 LEU 43 55.357 8.610 -8.028 348 HD13 LEU 43 HD13 LEU 43 56.984 8.370 -8.768 349 HD21 LEU 43 HD21 LEU 43 58.901 10.435 -6.266 350 HD22 LEU 43 HD22 LEU 43 58.288 11.109 -7.824 351 HD23 LEU 43 HD23 LEU 43 59.014 9.459 -7.773 352 H LEU 44 HN LEU 44 54.455 10.712 -3.060 353 HA LEU 44 HA LEU 44 53.535 13.357 -3.418 354 HB2 LEU 44 HB2 LEU 44 52.211 11.205 -2.811 355 HB3 LEU 44 HB1 LEU 44 52.704 11.517 -1.144 356 HG LEU 44 HG LEU 44 50.470 12.267 -1.522 357 HD11 LEU 44 HD11 LEU 44 52.199 14.797 -1.587 358 HD12 LEU 44 HD12 LEU 44 51.921 13.746 -0.146 359 HD13 LEU 44 HD13 LEU 44 50.530 14.631 -0.905 360 HD21 LEU 44 HD21 LEU 44 50.527 12.366 -3.996 361 HD22 LEU 44 HD22 LEU 44 51.422 13.933 -3.935 362 HD23 LEU 44 HD23 LEU 44 49.743 13.829 -3.286 363 H GLY 45 HN GLY 45 54.626 11.687 -0.345 364 HA2 GLY 45 HA2 GLY 45 56.405 13.072 0.781 365 HA3 GLY 45 HA1 GLY 45 55.147 14.373 0.702 366 H LYS 46 HN LYS 46 53.636 11.361 0.927 367 HA LYS 46 HA LYS 46 52.853 11.854 3.650 368 HB2 LYS 46 HB2 LYS 46 52.075 9.706 1.647 369 HB3 LYS 46 HB1 LYS 46 51.409 9.838 3.318 370 HG2 LYS 46 HG2 LYS 46 50.679 12.186 2.821 371 HG3 LYS 46 HG1 LYS 46 51.212 11.989 1.116 372 HD2 LYS 46 HD2 LYS 46 49.549 10.222 0.745 373 HD3 LYS 46 HD1 LYS 46 49.111 10.211 2.496 374 HE2 LYS 46 HE2 LYS 46 48.353 12.601 2.324 375 HE3 LYS 46 HE1 LYS 46 48.725 12.589 0.551 376 HZ1 LYS 46 HZ1 LYS 46 46.407 12.183 0.980 377 HZ2 LYS 46 HZ2 LYS 46 46.765 10.837 1.951 378 HZ3 LYS 46 HZ3 LYS 46 47.121 10.804 0.292 379 H ILE 47 HN ILE 47 54.570 9.414 1.694 380 HA ILE 47 HA ILE 47 56.043 8.459 4.053 381 HB ILE 47 HB ILE 47 56.340 6.325 2.833 382 HG12 ILE 47 HG12 ILE 47 54.074 7.481 1.086 383 HG13 ILE 47 HG11 ILE 47 55.760 7.190 0.560 384 HG21 ILE 47 HG21 ILE 47 53.401 6.973 3.514 385 HG22 ILE 47 HG22 ILE 47 54.704 6.679 4.737 386 HG23 ILE 47 HG23 ILE 47 54.246 5.379 3.577 387 HD11 ILE 47 HD1 ILE 47 55.530 4.827 0.960 388 HD12 ILE 47 HD2 ILE 47 54.310 5.375 -0.243 389 HD13 ILE 47 HD3 ILE 47 53.802 4.986 1.447 390 H LYS 48 HN LYS 48 58.235 7.682 3.286 391 HA LYS 48 HA LYS 48 58.953 8.541 0.606 392 HB2 LYS 48 HB2 LYS 48 60.694 9.123 3.096 393 HB3 LYS 48 HB1 LYS 48 61.197 9.438 1.405 394 HG2 LYS 48 HG2 LYS 48 59.423 11.166 1.177 395 HG3 LYS 48 HG1 LYS 48 58.900 10.877 2.874 396 HD2 LYS 48 HD2 LYS 48 61.693 11.850 2.017 397 HD3 LYS 48 HD1 LYS 48 60.350 12.892 2.615 398 HE2 LYS 48 HE2 LYS 48 60.377 11.637 4.818 399 HE3 LYS 48 HE1 LYS 48 61.787 10.666 4.221 400 HZ1 LYS 48 HZ1 LYS 48 63.023 12.708 3.984 401 HZ2 LYS 48 HZ2 LYS 48 62.466 12.507 5.576 402 HZ3 LYS 48 HZ3 LYS 48 61.703 13.619 4.544 403 H ARG 49 HN ARG 49 61.129 7.464 0.035 404 HA ARG 49 HA ARG 49 61.956 5.358 1.809 405 HB2 ARG 49 HB2 ARG 49 60.236 4.154 0.492 406 HB3 ARG 49 HB1 ARG 49 61.029 4.639 -1.037 407 HG2 ARG 49 HG2 ARG 49 62.709 3.219 1.067 408 HG3 ARG 49 HG1 ARG 49 61.440 2.271 0.239 409 HD2 ARG 49 HD2 ARG 49 62.451 2.775 -1.993 410 HD3 ARG 49 HD1 ARG 49 63.730 3.786 -1.192 411 HE ARG 49 HE ARG 49 63.530 1.050 -0.105 412 HH11 ARG 49 HH11 ARG 49 65.216 -0.464 -0.639 413 HH12 ARG 49 HH12 ARG 49 66.354 -0.101 -1.894 414 HH21 ARG 49 HH21 ARG 49 64.953 3.066 -2.698 415 HH22 ARG 49 HH22 ARG 49 66.203 1.929 -3.077 416 H ILE 50 HN ILE 50 64.224 5.087 1.497 417 HA ILE 50 HA ILE 50 65.431 6.217 -0.853 418 HB ILE 50 HB ILE 50 65.116 8.247 0.385 419 HG12 ILE 50 HG12 ILE 50 68.073 7.433 0.605 420 HG13 ILE 50 HG11 ILE 50 67.231 7.741 -0.954 421 HG21 ILE 50 HG21 ILE 50 66.660 6.958 2.729 422 HG22 ILE 50 HG22 ILE 50 64.883 7.270 2.688 423 HG23 ILE 50 HG23 ILE 50 66.039 8.642 2.632 424 HD11 ILE 50 HD1 ILE 50 66.639 10.047 -0.203 425 HD12 ILE 50 HD2 ILE 50 68.425 9.782 -0.231 426 HD13 ILE 50 HD3 ILE 50 67.542 9.787 1.341 427 H ASN 51 HN ASN 51 65.613 4.721 2.373 428 HA ASN 51 HA ASN 51 68.328 3.930 1.988 429 HB2 ASN 51 HB2 ASN 51 68.084 2.901 4.299 430 HB3 ASN 51 HB1 ASN 51 67.885 4.669 4.173 431 HD21 ASN 51 HD21 ASN 51 64.403 4.755 5.095 432 HD22 ASN 51 HD22 ASN 51 65.599 5.561 4.136 433 H HIS 52 HN HIS 52 66.238 1.600 3.539 434 HA HIS 52 HA HIS 52 66.594 -0.253 1.276 435 HB2 HIS 52 HB2 HIS 52 66.463 -0.799 4.305 436 HB3 HIS 52 HB1 HIS 52 66.532 -2.065 3.024 437 HD1 HIS 52 HD1 HIS 52 68.694 -2.162 5.053 438 HD2 HIS 52 HD2 HIS 52 69.068 0.181 1.589 439 HE1 HIS 52 HE1 HIS 52 71.170 -1.816 4.638 440 HE2 HIS 52 HE2 HIS 52 71.350 -0.404 2.542 441 H ILE 53 HN ILE 53 64.579 1.186 3.842 442 HA ILE 53 HA ILE 53 62.227 -0.240 2.815 443 HB ILE 53 HB ILE 53 61.350 -0.377 5.080 444 HG12 ILE 53 HG12 ILE 53 64.208 0.287 6.045 445 HG13 ILE 53 HG11 ILE 53 62.849 1.464 6.058 446 HG21 ILE 53 HG21 ILE 53 64.014 -1.864 4.609 447 HG22 ILE 53 HG22 ILE 53 62.415 -2.293 3.891 448 HG23 ILE 53 HG23 ILE 53 62.665 -2.394 5.668 449 HD11 ILE 53 HD1 ILE 53 61.484 -0.176 7.401 450 HD12 ILE 53 HD2 ILE 53 62.931 0.478 8.272 451 HD13 ILE 53 HD3 ILE 53 62.957 -1.198 7.603 452 H VAL 54 HN VAL 54 60.218 0.858 3.732 453 HA VAL 54 HA VAL 54 60.291 3.565 2.910 454 HB VAL 54 HB VAL 54 58.458 1.940 2.374 455 HG11 VAL 54 HG11 VAL 54 57.581 2.298 5.314 456 HG12 VAL 54 HG12 VAL 54 58.350 0.811 4.641 457 HG13 VAL 54 HG13 VAL 54 56.750 1.360 4.028 458 HG21 VAL 54 HG21 VAL 54 58.075 4.348 2.097 459 HG22 VAL 54 HG22 VAL 54 57.557 4.499 3.825 460 HG23 VAL 54 HG23 VAL 54 56.583 3.526 2.669 461 H VAL 55 HN VAL 55 59.987 5.389 4.243 462 HA VAL 55 HA VAL 55 59.910 4.924 7.143 463 HB VAL 55 HB VAL 55 60.988 7.141 7.427 464 HG11 VAL 55 HG11 VAL 55 62.653 5.058 5.858 465 HG12 VAL 55 HG12 VAL 55 62.264 4.998 7.618 466 HG13 VAL 55 HG13 VAL 55 63.295 6.325 6.965 467 HG21 VAL 55 HG21 VAL 55 60.454 8.142 5.177 468 HG22 VAL 55 HG22 VAL 55 61.547 6.947 4.380 469 HG23 VAL 55 HG23 VAL 55 62.217 8.173 5.510 470 H LEU 56 HN LEU 56 58.504 6.452 8.240 471 HA LEU 56 HA LEU 56 56.341 7.425 6.544 472 HB2 LEU 56 HB2 LEU 56 56.835 7.412 9.572 473 HB3 LEU 56 HB1 LEU 56 55.398 8.189 8.828 474 HG LEU 56 HG LEU 56 56.040 5.214 8.418 475 HD11 LEU 56 HD11 LEU 56 54.366 6.483 10.673 476 HD12 LEU 56 HD12 LEU 56 55.925 5.593 10.853 477 HD13 LEU 56 HD13 LEU 56 54.451 4.726 10.287 478 HD21 LEU 56 HD21 LEU 56 54.387 6.147 6.825 479 HD22 LEU 56 HD22 LEU 56 53.423 6.833 8.188 480 HD23 LEU 56 HD23 LEU 56 53.579 5.047 8.003 481 H ALA 57 HN ALA 57 55.722 9.747 6.775 482 HA ALA 57 HA ALA 57 57.876 11.529 6.566 483 HB1 ALA 57 HB1 ALA 57 54.893 12.088 7.105 484 HB2 ALA 57 HB2 ALA 57 55.692 12.016 5.493 485 HB3 ALA 57 HB3 ALA 57 56.115 13.334 6.637 486 H HIS 58 HN HIS 58 55.569 10.766 9.212 487 HA HIS 58 HA HIS 58 57.073 12.384 11.107 488 HB2 HIS 58 HB2 HIS 58 55.285 11.863 12.706 489 HB3 HIS 58 HB1 HIS 58 54.582 12.500 11.192 490 HD1 HIS 58 HD1 HIS 58 53.742 10.428 9.474 491 HD2 HIS 58 HD2 HIS 58 54.079 9.545 13.563 492 HE1 HIS 58 HE1 HIS 58 52.373 8.341 9.910 493 HE2 HIS 58 HE2 HIS 58 52.606 7.842 12.383 494 H HIS 59 HN HIS 59 56.785 10.723 13.402 495 HA HIS 59 HA HIS 59 58.684 8.599 12.758 496 HB2 HIS 59 HB2 HIS 59 59.224 10.175 14.621 497 HB3 HIS 59 HB1 HIS 59 57.746 9.648 15.487 498 HD1 HIS 59 HD1 HIS 59 57.792 6.965 16.137 499 HD2 HIS 59 HD2 HIS 59 61.477 8.645 15.034 500 HE1 HIS 59 HE1 HIS 59 59.610 5.395 16.948 501 HE2 HIS 59 HE2 HIS 59 61.812 6.441 16.257 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 50.680 -15.205 8.933 2 H2 MET 1 HT2 MET 1 51.933 -15.739 7.918 3 H3 MET 1 HT3 MET 1 50.500 -15.118 7.247 4 HA MET 1 HA MET 1 52.438 -13.632 8.883 5 HB2 MET 1 HB2 MET 1 53.298 -14.188 6.587 6 HB3 MET 1 HB1 MET 1 51.834 -13.457 5.866 7 HG2 MET 1 HG2 MET 1 52.559 -11.234 7.025 8 HG3 MET 1 HG1 MET 1 54.073 -12.073 7.463 9 HE1 MET 1 HE1 MET 1 51.688 -11.935 4.215 10 HE2 MET 1 HE2 MET 1 52.570 -10.689 3.271 11 HE3 MET 1 HE3 MET 1 51.887 -10.277 4.879 12 H LEU 2 HN LEU 2 49.821 -13.057 6.415 13 HA LEU 2 HA LEU 2 49.155 -10.589 7.642 14 HB2 LEU 2 HB2 LEU 2 49.040 -11.043 5.145 15 HB3 LEU 2 HB1 LEU 2 47.651 -12.128 5.458 16 HG LEU 2 HG LEU 2 46.409 -10.146 6.459 17 HD11 LEU 2 HD11 LEU 2 48.776 -8.495 5.364 18 HD12 LEU 2 HD12 LEU 2 48.293 -8.661 7.094 19 HD13 LEU 2 HD13 LEU 2 47.202 -7.826 5.935 20 HD21 LEU 2 HD21 LEU 2 47.333 -9.801 3.540 21 HD22 LEU 2 HD22 LEU 2 45.846 -9.098 4.284 22 HD23 LEU 2 HD23 LEU 2 46.014 -10.887 4.126 23 H LYS 3 HN LYS 3 47.425 -10.080 8.941 24 HA LYS 3 HA LYS 3 46.088 -12.360 10.189 25 HB2 LYS 3 HB2 LYS 3 47.518 -10.810 11.557 26 HB3 LYS 3 HB1 LYS 3 46.407 -9.459 11.181 27 HG2 LYS 3 HG2 LYS 3 45.366 -12.056 12.455 28 HG3 LYS 3 HG1 LYS 3 46.269 -10.865 13.450 29 HD2 LYS 3 HD2 LYS 3 44.650 -9.095 12.976 30 HD3 LYS 3 HD1 LYS 3 43.731 -10.167 11.868 31 HE2 LYS 3 HE2 LYS 3 43.250 -11.738 13.798 32 HE3 LYS 3 HE1 LYS 3 44.105 -10.594 14.913 33 HZ1 LYS 3 HZ1 LYS 3 41.738 -10.283 14.934 34 HZ2 LYS 3 HZ2 LYS 3 41.707 -9.989 13.261 35 HZ3 LYS 3 HZ3 LYS 3 42.504 -8.905 14.299 36 H ASP 4 HN ASP 4 43.930 -12.652 9.875 37 HA ASP 4 HA ASP 4 42.513 -10.660 8.268 38 HB2 ASP 4 HB2 ASP 4 41.806 -13.581 8.941 39 HB3 ASP 4 HB1 ASP 4 40.837 -12.486 7.882 40 H TYR 5 HN TYR 5 40.587 -9.771 8.949 41 HA TYR 5 HA TYR 5 40.168 -9.814 11.849 42 HB2 TYR 5 HB2 TYR 5 39.392 -7.730 9.767 43 HB3 TYR 5 HB1 TYR 5 39.149 -7.583 11.555 44 HD1 TYR 5 HD1 TYR 5 41.097 -7.361 13.052 45 HD2 TYR 5 HD2 TYR 5 41.588 -7.436 8.783 46 HE1 TYR 5 HE1 TYR 5 43.402 -6.516 13.305 47 HE2 TYR 5 HE2 TYR 5 43.894 -6.597 9.028 48 HH TYR 5 HH TYR 5 45.307 -5.916 12.264 49 H HIS 6 HN HIS 6 37.617 -8.343 10.707 50 HA HIS 6 HA HIS 6 35.810 -10.540 10.936 51 HB2 HIS 6 HB2 HIS 6 35.451 -8.115 11.703 52 HB3 HIS 6 HB1 HIS 6 35.263 -7.646 9.997 53 HD1 HIS 6 HD1 HIS 6 33.086 -8.688 8.775 54 HD2 HIS 6 HD2 HIS 6 33.211 -9.268 12.931 55 HE1 HIS 6 HE1 HIS 6 30.756 -9.352 9.514 56 HE2 HIS 6 HE2 HIS 6 30.876 -9.696 12.022 57 H LEU 7 HN LEU 7 37.385 -8.679 8.449 58 HA LEU 7 HA LEU 7 35.813 -9.060 6.242 59 HB2 LEU 7 HB2 LEU 7 38.882 -8.873 6.372 60 HB3 LEU 7 HB1 LEU 7 37.924 -8.841 4.855 61 HG LEU 7 HG LEU 7 36.688 -6.799 5.769 62 HD11 LEU 7 HD11 LEU 7 37.971 -5.336 7.368 63 HD12 LEU 7 HD12 LEU 7 39.086 -6.708 7.718 64 HD13 LEU 7 HD13 LEU 7 37.342 -6.812 8.171 65 HD21 LEU 7 HD21 LEU 7 38.364 -6.742 3.936 66 HD22 LEU 7 HD22 LEU 7 39.699 -6.577 5.137 67 HD23 LEU 7 HD23 LEU 7 38.475 -5.264 4.962 68 H LYS 8 HN LYS 8 35.485 -10.618 4.748 69 HA LYS 8 HA LYS 8 36.483 -13.280 5.416 70 HB2 LYS 8 HB2 LYS 8 34.017 -12.883 5.416 71 HB3 LYS 8 HB1 LYS 8 34.097 -12.331 3.716 72 HG2 LYS 8 HG2 LYS 8 34.963 -14.628 3.055 73 HG3 LYS 8 HG1 LYS 8 34.764 -15.162 4.760 74 HD2 LYS 8 HD2 LYS 8 32.525 -14.119 2.906 75 HD3 LYS 8 HD1 LYS 8 32.900 -15.851 3.218 76 HE2 LYS 8 HE2 LYS 8 32.347 -15.545 5.657 77 HE3 LYS 8 HE1 LYS 8 31.925 -13.812 5.342 78 HZ1 LYS 8 HZ1 LYS 8 30.234 -14.557 3.814 79 HZ2 LYS 8 HZ2 LYS 8 30.001 -15.215 5.362 80 HZ3 LYS 8 HZ3 LYS 8 30.623 -16.183 4.112 81 H GLU 9 HN GLU 9 35.675 -11.190 2.536 82 HA GLU 9 HA GLU 9 37.389 -12.850 0.893 83 HB2 GLU 9 HB2 GLU 9 36.357 -11.757 -1.023 84 HB3 GLU 9 HB1 GLU 9 35.158 -12.615 -0.014 85 HG2 GLU 9 HG2 GLU 9 35.697 -9.590 0.174 86 HG3 GLU 9 HG1 GLU 9 34.479 -10.315 -0.939 87 H MET 10 HN MET 10 39.013 -11.812 -0.494 88 HA MET 10 HA MET 10 39.716 -9.111 0.346 89 HB2 MET 10 HB2 MET 10 41.348 -10.655 1.348 90 HB3 MET 10 HB1 MET 10 41.522 -11.526 -0.209 91 HG2 MET 10 HG2 MET 10 43.443 -10.042 0.155 92 HG3 MET 10 HG1 MET 10 42.469 -9.560 -1.272 93 HE1 MET 10 HE1 MET 10 43.959 -6.167 -0.121 94 HE2 MET 10 HE2 MET 10 43.666 -7.317 -1.471 95 HE3 MET 10 HE3 MET 10 44.716 -7.796 -0.092 96 HA PRO 11 HA PRO 11 39.179 -9.209 -4.177 97 HB2 PRO 11 HB2 PRO 11 38.196 -6.607 -4.442 98 HB3 PRO 11 HB1 PRO 11 37.186 -8.050 -4.072 99 HG2 PRO 11 HG1 PRO 11 38.303 -6.014 -2.083 100 HG3 PRO 11 HG2 PRO 11 36.620 -6.679 -2.194 101 HD2 PRO 11 HD1 PRO 11 38.467 -7.702 -0.406 102 HD3 PRO 11 HD2 PRO 11 37.332 -8.807 -1.259 103 H GLU 12 HN GLU 12 39.935 -5.804 -3.175 104 HA GLU 12 HA GLU 12 42.717 -6.139 -3.339 105 HB2 GLU 12 HB2 GLU 12 42.285 -6.132 -5.831 106 HB3 GLU 12 HB1 GLU 12 41.342 -4.616 -5.653 107 HG2 GLU 12 HG2 GLU 12 43.433 -3.430 -4.839 108 HG3 GLU 12 HG1 GLU 12 44.346 -4.978 -4.977 109 H MET 13 HN MET 13 43.177 -4.816 -1.672 110 HA MET 13 HA MET 13 41.527 -2.424 -1.249 111 HB2 MET 13 HB2 MET 13 43.473 -3.908 0.595 112 HB3 MET 13 HB1 MET 13 42.617 -2.375 1.008 113 HG2 MET 13 HG2 MET 13 40.418 -3.551 0.710 114 HG3 MET 13 HG1 MET 13 41.286 -5.067 0.337 115 HE1 MET 13 HE1 MET 13 40.148 -2.466 2.970 116 HE2 MET 13 HE2 MET 13 41.917 -2.180 3.099 117 HE3 MET 13 HE3 MET 13 41.026 -2.909 4.473 118 H GLU 14 HN GLU 14 42.833 -0.476 -0.489 119 HA GLU 14 HA GLU 14 45.466 -0.296 -1.708 120 HB2 GLU 14 HB2 GLU 14 44.811 1.521 -3.222 121 HB3 GLU 14 HB1 GLU 14 43.800 0.077 -3.568 122 HG2 GLU 14 HG2 GLU 14 41.877 1.059 -2.318 123 HG3 GLU 14 HG1 GLU 14 42.853 2.510 -1.898 124 H ASP 15 HN ASP 15 42.918 0.715 0.391 125 HA ASP 15 HA ASP 15 44.314 3.106 1.220 126 HB2 ASP 15 HB2 ASP 15 42.540 3.589 2.697 127 HB3 ASP 15 HB1 ASP 15 41.848 3.170 1.101 128 H GLU 16 HN GLU 16 44.077 -0.268 1.994 129 HA GLU 16 HA GLU 16 45.234 -0.353 4.528 130 HB2 GLU 16 HB2 GLU 16 44.208 -2.325 3.352 131 HB3 GLU 16 HB1 GLU 16 45.509 -2.257 2.120 132 HG2 GLU 16 HG2 GLU 16 47.212 -2.731 3.982 133 HG3 GLU 16 HG1 GLU 16 45.836 -2.910 5.131 134 H PHE 17 HN PHE 17 46.577 -0.219 1.185 135 HA PHE 17 HA PHE 17 49.272 -0.250 1.845 136 HB2 PHE 17 HB2 PHE 17 48.427 -0.652 -0.470 137 HB3 PHE 17 HB1 PHE 17 47.810 1.022 -0.553 138 HD1 PHE 17 HD1 PHE 17 50.916 -1.030 -0.353 139 HD2 PHE 17 HD2 PHE 17 49.241 2.847 -1.087 140 HE1 PHE 17 HE1 PHE 17 53.098 -0.261 -1.249 141 HE2 PHE 17 HE2 PHE 17 51.454 3.635 -1.906 142 HZ PHE 17 HZ PHE 17 53.376 2.103 -1.912 143 H LEU 18 HN LEU 18 46.908 2.465 1.643 144 HA LEU 18 HA LEU 18 48.840 4.481 1.770 145 HB2 LEU 18 HB2 LEU 18 45.828 4.312 2.075 146 HB3 LEU 18 HB1 LEU 18 46.602 5.852 2.481 147 HG LEU 18 HG LEU 18 47.012 4.389 -0.185 148 HD11 LEU 18 HD11 LEU 18 44.616 5.004 0.051 149 HD12 LEU 18 HD12 LEU 18 45.423 6.010 -1.207 150 HD13 LEU 18 HD13 LEU 18 45.072 6.710 0.419 151 HD21 LEU 18 HD21 LEU 18 47.876 6.560 -1.025 152 HD22 LEU 18 HD22 LEU 18 48.856 5.998 0.361 153 HD23 LEU 18 HD23 LEU 18 47.642 7.309 0.598 154 H GLU 19 HN GLU 19 47.492 2.518 4.350 155 HA GLU 19 HA GLU 19 48.181 4.582 6.343 156 HB2 GLU 19 HB2 GLU 19 46.824 1.868 6.630 157 HB3 GLU 19 HB1 GLU 19 47.234 2.964 7.997 158 HG2 GLU 19 HG2 GLU 19 45.300 3.608 5.673 159 HG3 GLU 19 HG1 GLU 19 44.872 3.193 7.370 160 H TYR 20 HN TYR 20 49.401 1.808 4.715 161 HA TYR 20 HA TYR 20 51.261 0.961 6.761 162 HB2 TYR 20 HB2 TYR 20 50.674 0.291 3.815 163 HB3 TYR 20 HB1 TYR 20 52.109 -0.349 4.562 164 HD1 TYR 20 HD1 TYR 20 51.759 -2.598 4.538 165 HD2 TYR 20 HD2 TYR 20 48.854 -0.108 6.474 166 HE1 TYR 20 HE1 TYR 20 50.632 -4.611 5.418 167 HE2 TYR 20 HE2 TYR 20 47.739 -2.101 7.384 168 HH TYR 20 HH TYR 20 48.910 -5.418 6.628 169 H CYS 21 HN CYS 21 50.966 3.199 4.196 170 HA CYS 21 HA CYS 21 53.616 3.257 3.361 171 HB2 CYS 21 HB2 CYS 21 51.582 5.589 3.281 172 HB3 CYS 21 HB1 CYS 21 53.202 5.680 2.534 173 HG CYS 21 HG1 CYS 21 50.676 3.773 1.777 174 H ALA 22 HN ALA 22 52.047 4.476 6.174 175 HA ALA 22 HA ALA 22 53.617 6.640 6.924 176 HB1 ALA 22 HB1 ALA 22 52.035 4.628 8.641 177 HB2 ALA 22 HB2 ALA 22 51.345 6.084 7.846 178 HB3 ALA 22 HB3 ALA 22 52.567 6.277 9.162 179 H LYS 23 HN LYS 23 54.338 3.253 6.816 180 HA LYS 23 HA LYS 23 56.697 3.537 8.497 181 HB2 LYS 23 HB2 LYS 23 55.457 1.328 8.541 182 HB3 LYS 23 HB1 LYS 23 55.768 1.154 6.788 183 HG2 LYS 23 HG2 LYS 23 58.301 1.293 7.351 184 HG3 LYS 23 HG1 LYS 23 57.831 1.306 9.082 185 HD2 LYS 23 HD2 LYS 23 58.485 -0.929 8.530 186 HD3 LYS 23 HD1 LYS 23 56.694 -0.951 8.712 187 HE2 LYS 23 HE2 LYS 23 56.451 -0.938 6.192 188 HE3 LYS 23 HE1 LYS 23 58.251 -0.847 6.025 189 HZ1 LYS 23 HZ1 LYS 23 58.409 -2.961 7.144 190 HZ2 LYS 23 HZ2 LYS 23 57.424 -3.070 5.766 191 HZ3 LYS 23 HZ3 LYS 23 56.721 -3.047 7.313 192 H ASN 24 HN ASN 24 57.330 5.331 7.232 193 HA ASN 24 HA ASN 24 57.896 5.184 4.512 194 HB2 ASN 24 HB2 ASN 24 59.066 7.112 6.605 195 HB3 ASN 24 HB1 ASN 24 59.217 7.293 4.828 196 HD21 ASN 24 HD21 ASN 24 55.738 8.172 4.289 197 HD22 ASN 24 HD22 ASN 24 57.085 7.357 3.566 198 HA PRO 25 HA PRO 25 62.424 4.211 5.702 199 HB2 PRO 25 HB2 PRO 25 62.714 2.589 8.055 200 HB3 PRO 25 HB1 PRO 25 63.133 4.350 7.917 201 HG2 PRO 25 HG1 PRO 25 60.535 3.092 8.933 202 HG3 PRO 25 HG2 PRO 25 61.471 4.473 9.647 203 HD2 PRO 25 HD1 PRO 25 59.269 4.965 8.117 204 HD3 PRO 25 HD2 PRO 25 60.766 5.957 7.833 205 H SER 26 HN SER 26 63.068 2.526 4.479 206 HA SER 26 HA SER 26 63.075 0.659 3.401 207 HB2 SER 26 HB2 SER 26 62.156 -0.499 6.077 208 HB3 SER 26 HB1 SER 26 62.619 -1.530 4.652 209 HG SER 26 HG1 SER 26 64.314 -1.176 6.089 210 H TYR 27 HN TYR 27 61.463 1.733 2.104 211 HA TYR 27 HA TYR 27 58.714 1.135 2.418 212 HB2 TYR 27 HB2 TYR 27 58.413 2.349 0.314 213 HB3 TYR 27 HB1 TYR 27 59.542 3.246 1.408 214 HD1 TYR 27 HD1 TYR 27 59.392 1.091 -1.664 215 HD2 TYR 27 HD2 TYR 27 61.624 3.863 0.686 216 HE1 TYR 27 HE1 TYR 27 61.125 1.140 -3.420 217 HE2 TYR 27 HE2 TYR 27 63.434 3.874 -1.024 218 HH TYR 27 HH TYR 27 64.124 3.097 -3.020 219 H GLU 28 HN GLU 28 61.345 -0.456 1.212 220 HA GLU 28 HA GLU 28 60.598 -1.807 -1.039 221 HB2 GLU 28 HB2 GLU 28 62.397 -3.218 0.978 222 HB3 GLU 28 HB1 GLU 28 62.609 -2.984 -0.791 223 HG2 GLU 28 HG2 GLU 28 63.113 -0.500 -0.272 224 HG3 GLU 28 HG1 GLU 28 62.974 -0.916 1.491 225 H GLU 29 HN GLU 29 60.229 -2.636 2.424 226 HA GLU 29 HA GLU 29 59.158 -5.215 2.032 227 HB2 GLU 29 HB2 GLU 29 58.988 -3.212 4.352 228 HB3 GLU 29 HB1 GLU 29 58.440 -4.928 4.460 229 HG2 GLU 29 HG2 GLU 29 60.732 -5.752 4.085 230 HG3 GLU 29 HG1 GLU 29 61.336 -4.086 3.773 231 H ALA 30 HN ALA 30 57.847 -1.933 2.031 232 HA ALA 30 HA ALA 30 55.093 -2.859 2.311 233 HB1 ALA 30 HB1 ALA 30 54.485 -0.456 2.225 234 HB2 ALA 30 HB2 ALA 30 56.197 -0.029 1.844 235 HB3 ALA 30 HB3 ALA 30 55.779 -0.740 3.442 236 H TYR 31 HN TYR 31 57.361 -2.478 -0.229 237 HA TYR 31 HA TYR 31 55.429 -1.850 -2.317 238 HB2 TYR 31 HB2 TYR 31 57.642 -0.840 -2.656 239 HB3 TYR 31 HB1 TYR 31 58.436 -2.260 -2.031 240 HD1 TYR 31 HD1 TYR 31 55.893 -2.210 -4.787 241 HD2 TYR 31 HD2 TYR 31 60.016 -2.637 -3.719 242 HE1 TYR 31 HE1 TYR 31 56.360 -3.112 -7.035 243 HE2 TYR 31 HE2 TYR 31 60.524 -3.470 -5.985 244 HH TYR 31 HH TYR 31 57.938 -3.890 -8.449 245 H LEU 32 HN LEU 32 57.727 -4.426 -1.354 246 HA LEU 32 HA LEU 32 56.974 -6.146 -3.399 247 HB2 LEU 32 HB2 LEU 32 58.529 -6.529 -0.788 248 HB3 LEU 32 HB1 LEU 32 58.447 -7.785 -2.061 249 HG LEU 32 HG LEU 32 59.455 -4.910 -2.580 250 HD11 LEU 32 HD11 LEU 32 60.870 -5.967 -0.800 251 HD12 LEU 32 HD12 LEU 32 61.777 -5.762 -2.343 252 HD13 LEU 32 HD13 LEU 32 61.160 -7.390 -1.868 253 HD21 LEU 32 HD21 LEU 32 59.851 -7.525 -4.176 254 HD22 LEU 32 HD22 LEU 32 60.585 -5.923 -4.562 255 HD23 LEU 32 HD23 LEU 32 58.800 -6.133 -4.639 256 H LYS 33 HN LYS 33 55.748 -5.780 -0.141 257 HA LYS 33 HA LYS 33 54.507 -8.289 0.148 258 HB2 LYS 33 HB2 LYS 33 54.902 -6.706 2.054 259 HB3 LYS 33 HB1 LYS 33 53.756 -5.552 1.351 260 HG2 LYS 33 HG2 LYS 33 52.617 -8.310 1.819 261 HG3 LYS 33 HG1 LYS 33 53.238 -7.497 3.298 262 HD2 LYS 33 HD2 LYS 33 51.864 -5.533 2.845 263 HD3 LYS 33 HD1 LYS 33 51.326 -6.223 1.274 264 HE2 LYS 33 HE2 LYS 33 50.685 -7.319 4.105 265 HE3 LYS 33 HE1 LYS 33 49.554 -6.486 2.968 266 HZ1 LYS 33 HZ1 LYS 33 49.804 -8.295 1.433 267 HZ2 LYS 33 HZ2 LYS 33 49.253 -8.847 2.942 268 HZ3 LYS 33 HZ3 LYS 33 50.870 -9.097 2.484 269 H PHE 34 HN PHE 34 53.438 -5.125 -1.161 270 HA PHE 34 HA PHE 34 50.799 -6.078 -1.835 271 HB2 PHE 34 HB2 PHE 34 52.262 -3.386 -2.216 272 HB3 PHE 34 HB1 PHE 34 50.617 -3.704 -2.851 273 HD1 PHE 34 HD1 PHE 34 52.658 -3.714 0.272 274 HD2 PHE 34 HD2 PHE 34 48.712 -3.525 -1.406 275 HE1 PHE 34 HE1 PHE 34 51.771 -3.169 2.478 276 HE2 PHE 34 HE2 PHE 34 47.802 -2.948 0.826 277 HZ PHE 34 HZ PHE 34 49.333 -2.732 2.776 278 H GLY 35 HN GLY 35 52.919 -4.117 -3.922 279 HA2 GLY 35 HA2 GLY 35 54.140 -5.767 -5.498 280 HA3 GLY 35 HA1 GLY 35 52.458 -5.830 -6.183 281 H ASP 36 HN ASP 36 52.286 -4.482 -7.886 282 HA ASP 36 HA ASP 36 54.078 -2.339 -8.232 283 HB2 ASP 36 HB2 ASP 36 51.535 -3.000 -9.813 284 HB3 ASP 36 HB1 ASP 36 52.880 -1.929 -10.362 285 H LYS 37 HN LYS 37 51.603 -2.435 -6.132 286 HA LYS 37 HA LYS 37 50.046 -0.205 -6.510 287 HB2 LYS 37 HB2 LYS 37 49.670 -2.135 -4.916 288 HB3 LYS 37 HB1 LYS 37 50.974 -1.488 -3.904 289 HG2 LYS 37 HG2 LYS 37 48.825 -0.846 -2.966 290 HG3 LYS 37 HG1 LYS 37 49.663 0.628 -3.550 291 HD2 LYS 37 HD2 LYS 37 47.301 0.784 -4.041 292 HD3 LYS 37 HD1 LYS 37 48.197 0.643 -5.591 293 HE2 LYS 37 HE2 LYS 37 47.542 -1.802 -5.730 294 HE3 LYS 37 HE1 LYS 37 46.669 -1.645 -4.150 295 HZ1 LYS 37 HZ1 LYS 37 45.204 -1.473 -6.029 296 HZ2 LYS 37 HZ2 LYS 37 46.066 -0.147 -6.648 297 HZ3 LYS 37 HZ3 LYS 37 45.239 -0.009 -5.170 298 H LEU 38 HN LEU 38 53.266 -0.629 -4.959 299 HA LEU 38 HA LEU 38 53.349 2.087 -4.012 300 HB2 LEU 38 HB2 LEU 38 54.574 0.146 -2.823 301 HB3 LEU 38 HB1 LEU 38 55.621 0.007 -4.198 302 HG LEU 38 HG LEU 38 55.412 2.783 -3.059 303 HD11 LEU 38 HD11 LEU 38 56.768 0.602 -1.366 304 HD12 LEU 38 HD12 LEU 38 55.245 1.458 -0.948 305 HD13 LEU 38 HD13 LEU 38 56.784 2.379 -1.074 306 HD21 LEU 38 HD21 LEU 38 57.805 0.967 -3.753 307 HD22 LEU 38 HD22 LEU 38 57.901 2.722 -3.319 308 HD23 LEU 38 HD23 LEU 38 57.059 2.207 -4.831 309 H LEU 39 HN LEU 39 54.386 0.386 -6.956 310 HA LEU 39 HA LEU 39 56.163 2.385 -7.802 311 HB2 LEU 39 HB2 LEU 39 54.567 0.379 -9.479 312 HB3 LEU 39 HB1 LEU 39 55.959 1.353 -10.051 313 HG LEU 39 HG LEU 39 55.982 -0.830 -7.882 314 HD11 LEU 39 HD11 LEU 39 57.328 -2.116 -9.521 315 HD12 LEU 39 HD12 LEU 39 57.236 -0.746 -10.695 316 HD13 LEU 39 HD13 LEU 39 55.739 -1.638 -10.233 317 HD21 LEU 39 HD21 LEU 39 57.676 0.855 -7.237 318 HD22 LEU 39 HD22 LEU 39 58.340 0.876 -8.917 319 HD23 LEU 39 HD23 LEU 39 58.489 -0.604 -7.897 320 H GLU 40 HN GLU 40 52.679 1.789 -8.522 321 HA GLU 40 HA GLU 40 52.472 3.918 -10.357 322 HB2 GLU 40 HB2 GLU 40 50.003 3.617 -10.119 323 HB3 GLU 40 HB1 GLU 40 50.874 2.088 -10.505 324 HG2 GLU 40 HG2 GLU 40 50.743 1.425 -8.090 325 HG3 GLU 40 HG1 GLU 40 49.890 2.933 -7.698 326 H TYR 41 HN TYR 41 51.928 3.693 -6.823 327 HA TYR 41 HA TYR 41 50.678 6.261 -6.638 328 HB2 TYR 41 HB2 TYR 41 51.667 4.090 -4.741 329 HB3 TYR 41 HB1 TYR 41 51.430 5.704 -4.043 330 HD1 TYR 41 HD1 TYR 41 49.722 4.798 -2.582 331 HD2 TYR 41 HD2 TYR 41 49.095 4.696 -6.853 332 HE1 TYR 41 HE1 TYR 41 47.358 4.222 -2.252 333 HE2 TYR 41 HE2 TYR 41 46.757 4.171 -6.502 334 HH TYR 41 HH TYR 41 45.116 3.770 -5.011 335 H GLU 42 HN GLU 42 53.945 5.124 -6.800 336 HA GLU 42 HA GLU 42 55.129 7.488 -5.692 337 HB2 GLU 42 HB2 GLU 42 56.269 5.224 -5.818 338 HB3 GLU 42 HB1 GLU 42 56.430 5.454 -7.586 339 HG2 GLU 42 HG2 GLU 42 57.844 7.499 -7.181 340 HG3 GLU 42 HG1 GLU 42 57.590 7.326 -5.403 341 H LEU 43 HN LEU 43 54.297 6.290 -8.944 342 HA LEU 43 HA LEU 43 55.373 8.500 -10.354 343 HB2 LEU 43 HB2 LEU 43 53.374 6.271 -11.031 344 HB3 LEU 43 HB1 LEU 43 53.902 7.465 -12.254 345 HG LEU 43 HG LEU 43 55.832 5.629 -10.721 346 HD11 LEU 43 HD11 LEU 43 54.622 5.220 -13.526 347 HD12 LEU 43 HD12 LEU 43 54.244 4.257 -12.047 348 HD13 LEU 43 HD13 LEU 43 55.901 4.207 -12.755 349 HD21 LEU 43 HD21 LEU 43 56.945 7.652 -11.639 350 HD22 LEU 43 HD22 LEU 43 56.239 7.323 -13.266 351 HD23 LEU 43 HD23 LEU 43 57.438 6.182 -12.550 352 H LEU 44 HN LEU 44 52.400 7.900 -8.620 353 HA LEU 44 HA LEU 44 50.795 9.759 -10.061 354 HB2 LEU 44 HB2 LEU 44 49.808 7.759 -9.142 355 HB3 LEU 44 HB1 LEU 44 50.428 8.161 -7.516 356 HG LEU 44 HG LEU 44 48.861 9.957 -7.248 357 HD11 LEU 44 HD11 LEU 44 48.787 10.941 -9.544 358 HD12 LEU 44 HD12 LEU 44 47.125 10.554 -8.979 359 HD13 LEU 44 HD13 LEU 44 47.945 9.471 -10.165 360 HD21 LEU 44 HD21 LEU 44 48.059 7.662 -6.768 361 HD22 LEU 44 HD22 LEU 44 47.446 7.499 -8.455 362 HD23 LEU 44 HD23 LEU 44 46.705 8.710 -7.343 363 H GLY 45 HN GLY 45 51.512 9.658 -6.494 364 HA2 GLY 45 HA2 GLY 45 53.057 11.531 -5.880 365 HA3 GLY 45 HA1 GLY 45 51.740 12.581 -6.550 366 H LYS 46 HN LYS 46 51.533 9.496 -4.740 367 HA LYS 46 HA LYS 46 49.927 10.832 -2.677 368 HB2 LYS 46 HB2 LYS 46 50.170 7.929 -3.520 369 HB3 LYS 46 HB1 LYS 46 49.371 8.459 -1.994 370 HG2 LYS 46 HG2 LYS 46 47.862 9.959 -3.293 371 HG3 LYS 46 HG1 LYS 46 48.553 9.343 -4.834 372 HD2 LYS 46 HD2 LYS 46 47.681 7.103 -4.404 373 HD3 LYS 46 HD1 LYS 46 47.235 7.543 -2.714 374 HE2 LYS 46 HE2 LYS 46 45.556 9.181 -3.526 375 HE3 LYS 46 HE1 LYS 46 45.961 8.775 -5.241 376 HZ1 LYS 46 HZ1 LYS 46 44.022 7.600 -4.479 377 HZ2 LYS 46 HZ2 LYS 46 44.887 6.895 -3.198 378 HZ3 LYS 46 HZ3 LYS 46 45.279 6.504 -4.803 379 H ILE 47 HN ILE 47 52.815 8.903 -3.440 380 HA ILE 47 HA ILE 47 53.953 9.531 -0.802 381 HB ILE 47 HB ILE 47 55.459 7.631 -1.109 382 HG12 ILE 47 HG12 ILE 47 53.644 6.897 -3.494 383 HG13 ILE 47 HG11 ILE 47 55.292 7.597 -3.667 384 HG21 ILE 47 HG21 ILE 47 52.471 6.844 -1.224 385 HG22 ILE 47 HG22 ILE 47 53.315 7.515 0.224 386 HG23 ILE 47 HG23 ILE 47 53.818 5.930 -0.455 387 HD11 ILE 47 HD1 ILE 47 54.628 5.015 -2.260 388 HD12 ILE 47 HD2 ILE 47 56.293 5.667 -2.485 389 HD13 ILE 47 HD3 ILE 47 55.322 5.122 -3.911 390 H LYS 48 HN LYS 48 56.622 9.418 -1.375 391 HA LYS 48 HA LYS 48 57.100 9.192 -4.023 392 HB2 LYS 48 HB2 LYS 48 58.430 11.377 -4.528 393 HB3 LYS 48 HB1 LYS 48 56.641 11.507 -4.535 394 HG2 LYS 48 HG2 LYS 48 56.753 12.462 -2.194 395 HG3 LYS 48 HG1 LYS 48 58.550 12.489 -2.375 396 HD2 LYS 48 HD2 LYS 48 57.756 14.685 -2.862 397 HD3 LYS 48 HD1 LYS 48 58.224 13.958 -4.441 398 HE2 LYS 48 HE2 LYS 48 55.780 13.504 -4.937 399 HE3 LYS 48 HE1 LYS 48 55.334 14.177 -3.317 400 HZ1 LYS 48 HZ1 LYS 48 55.047 15.766 -5.070 401 HZ2 LYS 48 HZ2 LYS 48 56.680 15.650 -5.521 402 HZ3 LYS 48 HZ3 LYS 48 56.261 16.283 -4.001 403 H ARG 49 HN ARG 49 59.122 8.396 -4.431 404 HA ARG 49 HA ARG 49 61.040 8.504 -2.204 405 HB2 ARG 49 HB2 ARG 49 60.302 6.259 -3.143 406 HB3 ARG 49 HB1 ARG 49 61.099 6.683 -4.679 407 HG2 ARG 49 HG2 ARG 49 62.607 6.707 -1.980 408 HG3 ARG 49 HG1 ARG 49 62.269 5.192 -2.879 409 HD2 ARG 49 HD2 ARG 49 63.535 6.002 -4.865 410 HD3 ARG 49 HD1 ARG 49 63.919 7.549 -3.999 411 HE ARG 49 HE ARG 49 64.660 5.142 -2.475 412 HH11 ARG 49 HH11 ARG 49 66.934 4.693 -2.231 413 HH12 ARG 49 HH12 ARG 49 68.099 5.518 -3.212 414 HH21 ARG 49 HH21 ARG 49 65.712 7.448 -5.004 415 HH22 ARG 49 HH22 ARG 49 67.397 7.104 -4.802 416 H ILE 50 HN ILE 50 62.936 9.686 -2.502 417 HA ILE 50 HA ILE 50 63.853 10.178 -5.169 418 HB ILE 50 HB ILE 50 62.341 12.013 -5.033 419 HG12 ILE 50 HG12 ILE 50 65.190 13.090 -4.608 420 HG13 ILE 50 HG11 ILE 50 64.659 12.203 -6.079 421 HG21 ILE 50 HG21 ILE 50 62.432 13.759 -3.306 422 HG22 ILE 50 HG22 ILE 50 63.763 12.913 -2.445 423 HG23 ILE 50 HG23 ILE 50 62.120 12.169 -2.536 424 HD11 ILE 50 HD1 ILE 50 62.869 13.899 -6.478 425 HD12 ILE 50 HD2 ILE 50 64.516 14.638 -6.475 426 HD13 ILE 50 HD3 ILE 50 63.435 14.846 -5.047 427 H ASN 51 HN ASN 51 64.159 10.650 -1.621 428 HA ASN 51 HA ASN 51 66.939 11.247 -1.852 429 HB2 ASN 51 HB2 ASN 51 65.437 12.348 -0.170 430 HB3 ASN 51 HB1 ASN 51 65.180 10.774 0.642 431 HD21 ASN 51 HD21 ASN 51 67.779 11.974 2.810 432 HD22 ASN 51 HD22 ASN 51 66.077 11.726 2.604 433 H HIS 52 HN HIS 52 65.545 8.923 0.498 434 HA HIS 52 HA HIS 52 67.324 6.820 -0.538 435 HB2 HIS 52 HB2 HIS 52 66.796 7.563 2.410 436 HB3 HIS 52 HB1 HIS 52 67.751 6.148 1.838 437 HD1 HIS 52 HD1 HIS 52 69.778 7.120 0.019 438 HD2 HIS 52 HD2 HIS 52 68.470 9.601 3.143 439 HE1 HIS 52 HE1 HIS 52 71.584 8.852 0.413 440 HE2 HIS 52 HE2 HIS 52 70.755 10.328 2.299 441 H ILE 53 HN ILE 53 64.431 7.905 1.250 442 HA ILE 53 HA ILE 53 63.158 5.318 0.770 443 HB ILE 53 HB ILE 53 61.942 5.633 2.929 444 HG12 ILE 53 HG12 ILE 53 64.267 7.537 3.637 445 HG13 ILE 53 HG11 ILE 53 62.628 8.106 3.155 446 HG21 ILE 53 HG21 ILE 53 64.968 5.061 2.938 447 HG22 ILE 53 HG22 ILE 53 63.623 3.916 2.542 448 HG23 ILE 53 HG23 ILE 53 63.801 4.563 4.209 449 HD11 ILE 53 HD1 ILE 53 61.632 6.673 4.963 450 HD12 ILE 53 HD2 ILE 53 62.648 8.043 5.576 451 HD13 ILE 53 HD3 ILE 53 63.294 6.356 5.597 452 H VAL 54 HN VAL 54 60.682 5.705 1.303 453 HA VAL 54 HA VAL 54 59.826 7.765 -0.475 454 HB VAL 54 HB VAL 54 57.537 6.920 -0.021 455 HG11 VAL 54 HG11 VAL 54 57.916 4.633 -1.023 456 HG12 VAL 54 HG12 VAL 54 59.689 4.926 -0.873 457 HG13 VAL 54 HG13 VAL 54 58.676 6.014 -1.884 458 HG21 VAL 54 HG21 VAL 54 57.317 4.798 1.356 459 HG22 VAL 54 HG22 VAL 54 57.671 6.273 2.316 460 HG23 VAL 54 HG23 VAL 54 58.979 5.089 1.992 461 H VAL 55 HN VAL 55 58.062 9.276 0.179 462 HA VAL 55 HA VAL 55 58.035 9.941 3.032 463 HB VAL 55 HB VAL 55 57.729 12.295 2.524 464 HG11 VAL 55 HG11 VAL 55 60.249 11.209 1.096 465 HG12 VAL 55 HG12 VAL 55 60.051 11.408 2.879 466 HG13 VAL 55 HG13 VAL 55 60.025 12.851 1.798 467 HG21 VAL 55 HG21 VAL 55 56.590 12.182 0.306 468 HG22 VAL 55 HG22 VAL 55 58.055 11.524 -0.467 469 HG23 VAL 55 HG23 VAL 55 58.064 13.189 0.179 470 H LEU 56 HN LEU 56 55.832 11.152 3.412 471 HA LEU 56 HA LEU 56 53.763 10.064 1.614 472 HB2 LEU 56 HB2 LEU 56 53.513 11.657 4.217 473 HB3 LEU 56 HB1 LEU 56 52.134 11.077 3.237 474 HG LEU 56 HG LEU 56 54.177 9.176 4.537 475 HD11 LEU 56 HD11 LEU 56 53.099 10.542 6.315 476 HD12 LEU 56 HD12 LEU 56 52.535 8.830 6.364 477 HD13 LEU 56 HD13 LEU 56 51.468 10.111 5.673 478 HD21 LEU 56 HD21 LEU 56 52.355 7.494 4.290 479 HD22 LEU 56 HD22 LEU 56 52.900 8.138 2.693 480 HD23 LEU 56 HD23 LEU 56 51.345 8.704 3.416 481 H ALA 57 HN ALA 57 52.736 11.514 0.274 482 HA ALA 57 HA ALA 57 53.962 14.145 0.011 483 HB1 ALA 57 HB1 ALA 57 53.581 12.857 -2.091 484 HB2 ALA 57 HB2 ALA 57 52.611 14.374 -2.065 485 HB3 ALA 57 HB3 ALA 57 51.821 12.786 -1.729 486 H HIS 58 HN HIS 58 53.199 15.616 1.411 487 HA HIS 58 HA HIS 58 50.523 15.397 2.475 488 HB2 HIS 58 HB2 HIS 58 52.775 17.415 3.049 489 HB3 HIS 58 HB1 HIS 58 51.239 17.252 3.977 490 HD1 HIS 58 HD1 HIS 58 50.958 14.561 4.874 491 HD2 HIS 58 HD2 HIS 58 54.839 16.001 4.178 492 HE1 HIS 58 HE1 HIS 58 52.560 13.048 6.125 493 HE2 HIS 58 HE2 HIS 58 54.886 13.946 5.674 494 H HIS 59 HN HIS 59 52.604 17.723 0.669 495 HA HIS 59 HA HIS 59 50.221 19.087 -0.348 496 HB2 HIS 59 HB2 HIS 59 52.079 20.520 0.534 497 HB3 HIS 59 HB1 HIS 59 53.209 19.753 -0.627 498 HD1 HIS 59 HD1 HIS 59 49.814 21.562 -0.831 499 HD2 HIS 59 HD2 HIS 59 53.442 21.286 -2.923 500 HE1 HIS 59 HE1 HIS 59 49.676 23.160 -2.793 501 HE2 HIS 59 HE2 HIS 59 51.879 22.958 -4.030 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 27.544 -25.047 2.804 2 H2 MET 1 HT2 MET 1 29.235 -24.940 2.936 3 H3 MET 1 HT3 MET 1 28.244 -24.205 4.103 4 HA MET 1 HA MET 1 27.429 -26.295 4.811 5 HB2 MET 1 HB2 MET 1 27.630 -27.496 2.625 6 HB3 MET 1 HB1 MET 1 29.412 -27.453 2.747 7 HG2 MET 1 HG2 MET 1 28.521 -29.673 3.314 8 HG3 MET 1 HG1 MET 1 29.385 -28.942 4.693 9 HE1 MET 1 HE1 MET 1 25.622 -28.289 3.335 10 HE2 MET 1 HE2 MET 1 24.758 -29.536 4.292 11 HE3 MET 1 HE3 MET 1 26.007 -30.031 3.100 12 H LEU 2 HN LEU 2 30.920 -26.360 3.785 13 HA LEU 2 HA LEU 2 31.721 -26.699 6.529 14 HB2 LEU 2 HB2 LEU 2 32.773 -27.414 3.991 15 HB3 LEU 2 HB1 LEU 2 33.931 -26.204 4.600 16 HG LEU 2 HG LEU 2 32.974 -28.676 6.164 17 HD11 LEU 2 HD11 LEU 2 34.150 -29.360 4.075 18 HD12 LEU 2 HD12 LEU 2 35.131 -29.756 5.535 19 HD13 LEU 2 HD13 LEU 2 35.563 -28.330 4.518 20 HD21 LEU 2 HD21 LEU 2 35.062 -28.346 7.543 21 HD22 LEU 2 HD22 LEU 2 33.858 -27.029 7.734 22 HD23 LEU 2 HD23 LEU 2 35.329 -26.767 6.714 23 H LYS 3 HN LYS 3 33.517 -25.283 7.374 24 HA LYS 3 HA LYS 3 32.746 -22.509 7.025 25 HB2 LYS 3 HB2 LYS 3 33.860 -22.032 9.083 26 HB3 LYS 3 HB1 LYS 3 32.823 -23.470 9.286 27 HG2 LYS 3 HG2 LYS 3 34.652 -24.244 10.411 28 HG3 LYS 3 HG1 LYS 3 35.077 -24.829 8.770 29 HD2 LYS 3 HD2 LYS 3 37.069 -23.865 9.704 30 HD3 LYS 3 HD1 LYS 3 36.465 -22.670 8.503 31 HE2 LYS 3 HE2 LYS 3 35.443 -21.318 10.404 32 HE3 LYS 3 HE1 LYS 3 36.100 -22.526 11.581 33 HZ1 LYS 3 HZ1 LYS 3 37.676 -20.852 9.698 34 HZ2 LYS 3 HZ2 LYS 3 38.309 -21.986 10.792 35 HZ3 LYS 3 HZ3 LYS 3 37.499 -20.609 11.370 36 H ASP 4 HN ASP 4 34.370 -20.821 6.803 37 HA ASP 4 HA ASP 4 36.754 -21.721 5.335 38 HB2 ASP 4 HB2 ASP 4 34.931 -20.468 3.954 39 HB3 ASP 4 HB1 ASP 4 35.276 -19.033 4.976 40 H TYR 5 HN TYR 5 38.576 -20.132 5.610 41 HA TYR 5 HA TYR 5 38.699 -19.180 8.373 42 HB2 TYR 5 HB2 TYR 5 40.955 -19.547 6.361 43 HB3 TYR 5 HB1 TYR 5 41.132 -19.168 8.118 44 HD1 TYR 5 HD1 TYR 5 40.563 -21.800 5.623 45 HD2 TYR 5 HD2 TYR 5 40.412 -20.869 9.816 46 HE1 TYR 5 HE1 TYR 5 40.478 -24.208 6.150 47 HE2 TYR 5 HE2 TYR 5 40.331 -23.275 10.351 48 HH TYR 5 HH TYR 5 40.300 -25.378 9.546 49 H HIS 6 HN HIS 6 41.015 -17.452 7.224 50 HA HIS 6 HA HIS 6 39.364 -15.140 6.640 51 HB2 HIS 6 HB2 HIS 6 41.284 -14.954 8.249 52 HB3 HIS 6 HB1 HIS 6 42.419 -15.401 6.946 53 HD1 HIS 6 HD1 HIS 6 39.630 -12.770 7.329 54 HD2 HIS 6 HD2 HIS 6 43.507 -13.148 5.765 55 HE1 HIS 6 HE1 HIS 6 40.276 -10.519 6.364 56 HE2 HIS 6 HE2 HIS 6 42.611 -10.793 5.420 57 H LEU 7 HN LEU 7 42.039 -17.063 5.197 58 HA LEU 7 HA LEU 7 43.128 -16.995 3.347 59 HB2 LEU 7 HB2 LEU 7 40.265 -17.425 2.838 60 HB3 LEU 7 HB1 LEU 7 41.173 -17.082 1.332 61 HG LEU 7 HG LEU 7 42.712 -18.943 1.766 62 HD11 LEU 7 HD11 LEU 7 42.780 -19.022 4.273 63 HD12 LEU 7 HD12 LEU 7 42.295 -20.612 3.589 64 HD13 LEU 7 HD13 LEU 7 41.044 -19.524 4.293 65 HD21 LEU 7 HD21 LEU 7 39.754 -19.698 2.118 66 HD22 LEU 7 HD22 LEU 7 41.043 -20.794 1.478 67 HD23 LEU 7 HD23 LEU 7 40.559 -19.320 0.543 68 H LYS 8 HN LYS 8 42.421 -15.843 0.703 69 HA LYS 8 HA LYS 8 42.676 -12.983 1.342 70 HB2 LYS 8 HB2 LYS 8 44.725 -14.090 0.143 71 HB3 LYS 8 HB1 LYS 8 43.640 -14.271 -1.269 72 HG2 LYS 8 HG2 LYS 8 44.918 -12.251 -1.578 73 HG3 LYS 8 HG1 LYS 8 43.257 -11.711 -1.150 74 HD2 LYS 8 HD2 LYS 8 44.014 -11.314 1.218 75 HD3 LYS 8 HD1 LYS 8 45.651 -11.931 0.792 76 HE2 LYS 8 HE2 LYS 8 45.941 -10.011 -0.826 77 HE3 LYS 8 HE1 LYS 8 44.297 -9.404 -0.365 78 HZ1 LYS 8 HZ1 LYS 8 45.068 -9.159 1.887 79 HZ2 LYS 8 HZ2 LYS 8 46.035 -8.274 0.809 80 HZ3 LYS 8 HZ3 LYS 8 46.611 -9.730 1.467 81 H GLU 9 HN GLU 9 40.791 -12.016 0.959 82 HA GLU 9 HA GLU 9 38.877 -13.293 -0.830 83 HB2 GLU 9 HB2 GLU 9 37.131 -12.508 0.745 84 HB3 GLU 9 HB1 GLU 9 38.290 -13.656 1.508 85 HG2 GLU 9 HG2 GLU 9 39.540 -11.729 2.539 86 HG3 GLU 9 HG1 GLU 9 38.307 -10.594 1.872 87 H MET 10 HN MET 10 40.605 -10.380 0.268 88 HA MET 10 HA MET 10 39.260 -8.885 -1.834 89 HB2 MET 10 HB2 MET 10 38.339 -8.348 0.392 90 HB3 MET 10 HB1 MET 10 39.989 -8.060 1.030 91 HG2 MET 10 HG2 MET 10 38.959 -5.910 0.539 92 HG3 MET 10 HG1 MET 10 40.340 -6.251 -0.565 93 HE1 MET 10 HE1 MET 10 39.460 -4.091 -1.661 94 HE2 MET 10 HE2 MET 10 37.933 -4.006 -0.723 95 HE3 MET 10 HE3 MET 10 37.891 -3.896 -2.517 96 HA PRO 11 HA PRO 11 43.807 -8.689 -2.278 97 HB2 PRO 11 HB2 PRO 11 43.990 -9.253 -4.990 98 HB3 PRO 11 HB1 PRO 11 43.724 -10.543 -3.757 99 HG2 PRO 11 HG1 PRO 11 41.590 -9.113 -5.435 100 HG3 PRO 11 HG2 PRO 11 41.840 -10.899 -5.233 101 HD2 PRO 11 HD1 PRO 11 40.018 -9.499 -3.676 102 HD3 PRO 11 HD2 PRO 11 41.009 -10.831 -2.959 103 H GLU 12 HN GLU 12 41.162 -6.774 -3.192 104 HA GLU 12 HA GLU 12 42.712 -5.042 -4.969 105 HB2 GLU 12 HB2 GLU 12 39.719 -5.060 -4.305 106 HB3 GLU 12 HB1 GLU 12 40.534 -4.036 -5.548 107 HG2 GLU 12 HG2 GLU 12 41.177 -6.108 -6.822 108 HG3 GLU 12 HG1 GLU 12 40.362 -7.126 -5.576 109 H MET 13 HN MET 13 43.587 -4.946 -2.286 110 HA MET 13 HA MET 13 42.246 -2.721 -1.006 111 HB2 MET 13 HB2 MET 13 44.626 -4.407 -0.184 112 HB3 MET 13 HB1 MET 13 44.039 -2.980 0.735 113 HG2 MET 13 HG2 MET 13 42.430 -5.515 0.090 114 HG3 MET 13 HG1 MET 13 43.169 -5.065 1.651 115 HE1 MET 13 HE1 MET 13 42.381 -3.308 3.303 116 HE2 MET 13 HE2 MET 13 41.040 -2.143 3.041 117 HE3 MET 13 HE3 MET 13 42.554 -1.987 2.094 118 H GLU 14 HN GLU 14 43.325 -0.710 -0.511 119 HA GLU 14 HA GLU 14 45.798 -0.112 -1.851 120 HB2 GLU 14 HB2 GLU 14 44.906 1.699 -3.246 121 HB3 GLU 14 HB1 GLU 14 44.084 0.159 -3.678 122 HG2 GLU 14 HG2 GLU 14 42.071 0.816 -2.354 123 HG3 GLU 14 HG1 GLU 14 42.857 2.366 -1.887 124 H ASP 15 HN ASP 15 43.140 0.530 0.292 125 HA ASP 15 HA ASP 15 44.319 2.995 1.237 126 HB2 ASP 15 HB2 ASP 15 42.495 3.250 2.734 127 HB3 ASP 15 HB1 ASP 15 41.884 2.935 1.082 128 H GLU 16 HN GLU 16 44.301 -0.427 1.937 129 HA GLU 16 HA GLU 16 45.448 -0.429 4.489 130 HB2 GLU 16 HB2 GLU 16 44.574 -2.482 3.327 131 HB3 GLU 16 HB1 GLU 16 45.875 -2.328 2.103 132 HG2 GLU 16 HG2 GLU 16 47.588 -2.668 3.984 133 HG3 GLU 16 HG1 GLU 16 46.218 -2.921 5.123 134 H PHE 17 HN PHE 17 46.765 -0.181 1.145 135 HA PHE 17 HA PHE 17 49.460 -0.082 1.813 136 HB2 PHE 17 HB2 PHE 17 48.619 -0.530 -0.498 137 HB3 PHE 17 HB1 PHE 17 47.949 1.123 -0.588 138 HD1 PHE 17 HD1 PHE 17 49.310 2.954 -1.205 139 HD2 PHE 17 HD2 PHE 17 51.133 -0.819 -0.291 140 HE1 PHE 17 HE1 PHE 17 51.483 3.802 -2.022 141 HE2 PHE 17 HE2 PHE 17 53.292 0.005 -1.180 142 HZ PHE 17 HZ PHE 17 53.500 2.355 -1.922 143 H LEU 18 HN LEU 18 46.944 2.495 1.637 144 HA LEU 18 HA LEU 18 48.731 4.630 1.811 145 HB2 LEU 18 HB2 LEU 18 45.750 4.234 2.129 146 HB3 LEU 18 HB1 LEU 18 46.396 5.797 2.650 147 HG LEU 18 HG LEU 18 46.924 4.576 -0.110 148 HD11 LEU 18 HD11 LEU 18 45.198 6.130 -1.015 149 HD12 LEU 18 HD12 LEU 18 44.790 6.668 0.659 150 HD13 LEU 18 HD13 LEU 18 44.484 4.962 0.157 151 HD21 LEU 18 HD21 LEU 18 47.590 6.884 -0.775 152 HD22 LEU 18 HD22 LEU 18 48.623 6.291 0.562 153 HD23 LEU 18 HD23 LEU 18 47.302 7.470 0.905 154 H GLU 19 HN GLU 19 47.490 2.534 4.385 155 HA GLU 19 HA GLU 19 48.065 4.580 6.407 156 HB2 GLU 19 HB2 GLU 19 47.056 1.682 6.619 157 HB3 GLU 19 HB1 GLU 19 47.299 2.806 8.011 158 HG2 GLU 19 HG2 GLU 19 45.620 4.383 7.019 159 HG3 GLU 19 HG1 GLU 19 45.315 3.233 5.679 160 H TYR 20 HN TYR 20 49.461 1.891 4.744 161 HA TYR 20 HA TYR 20 51.420 1.182 6.735 162 HB2 TYR 20 HB2 TYR 20 50.800 0.496 3.800 163 HB3 TYR 20 HB1 TYR 20 52.300 -0.049 4.492 164 HD1 TYR 20 HD1 TYR 20 52.184 -2.305 4.593 165 HD2 TYR 20 HD2 TYR 20 49.021 -0.039 6.396 166 HE1 TYR 20 HE1 TYR 20 51.239 -4.385 5.529 167 HE2 TYR 20 HE2 TYR 20 48.081 -2.098 7.358 168 HH TYR 20 HH TYR 20 48.250 -4.337 7.530 169 H CYS 21 HN CYS 21 50.945 3.431 4.206 170 HA CYS 21 HA CYS 21 53.563 3.622 3.320 171 HB2 CYS 21 HB2 CYS 21 51.415 5.841 3.284 172 HB3 CYS 21 HB1 CYS 21 53.018 6.034 2.523 173 HG CYS 21 HG1 CYS 21 52.875 4.123 0.870 174 H ALA 22 HN ALA 22 51.916 4.826 6.120 175 HA ALA 22 HA ALA 22 53.465 7.012 6.878 176 HB1 ALA 22 HB1 ALA 22 51.148 6.504 7.729 177 HB2 ALA 22 HB2 ALA 22 52.322 6.718 9.082 178 HB3 ALA 22 HB3 ALA 22 51.793 5.062 8.583 179 H LYS 23 HN LYS 23 54.115 3.607 6.920 180 HA LYS 23 HA LYS 23 56.406 3.923 8.695 181 HB2 LYS 23 HB2 LYS 23 55.053 1.789 8.863 182 HB3 LYS 23 HB1 LYS 23 55.431 1.456 7.145 183 HG2 LYS 23 HG2 LYS 23 57.926 1.475 7.792 184 HG3 LYS 23 HG1 LYS 23 57.421 1.719 9.493 185 HD2 LYS 23 HD2 LYS 23 57.943 -0.625 9.186 186 HD3 LYS 23 HD1 LYS 23 56.172 -0.464 9.426 187 HE2 LYS 23 HE2 LYS 23 56.694 -2.144 7.658 188 HE3 LYS 23 HE1 LYS 23 55.819 -0.743 6.929 189 HZ1 LYS 23 HZ1 LYS 23 57.954 0.126 6.212 190 HZ2 LYS 23 HZ2 LYS 23 57.664 -1.429 5.594 191 HZ3 LYS 23 HZ3 LYS 23 58.754 -1.216 6.877 192 H ASN 24 HN ASN 24 57.170 5.580 7.322 193 HA ASN 24 HA ASN 24 57.826 5.251 4.652 194 HB2 ASN 24 HB2 ASN 24 59.048 7.184 6.699 195 HB3 ASN 24 HB1 ASN 24 59.330 7.243 4.926 196 HD21 ASN 24 HD21 ASN 24 55.856 8.759 6.543 197 HD22 ASN 24 HD22 ASN 24 57.097 8.050 7.522 198 HA PRO 25 HA PRO 25 62.247 3.955 5.959 199 HB2 PRO 25 HB2 PRO 25 62.288 2.357 8.366 200 HB3 PRO 25 HB1 PRO 25 62.919 4.052 8.199 201 HG2 PRO 25 HG1 PRO 25 60.173 3.122 9.174 202 HG3 PRO 25 HG2 PRO 25 61.234 4.420 9.869 203 HD2 PRO 25 HD1 PRO 25 59.130 5.089 8.273 204 HD3 PRO 25 HD2 PRO 25 60.728 5.909 7.989 205 H SER 26 HN SER 26 62.963 2.007 5.055 206 HA SER 26 HA SER 26 62.839 0.105 4.079 207 HB2 SER 26 HB2 SER 26 61.181 -0.679 6.528 208 HB3 SER 26 HB1 SER 26 61.674 -1.868 5.239 209 HG SER 26 HG1 SER 26 63.096 -1.792 6.977 210 H TYR 27 HN TYR 27 61.716 1.664 2.616 211 HA TYR 27 HA TYR 27 58.931 1.522 2.292 212 HB2 TYR 27 HB2 TYR 27 59.162 2.968 0.487 213 HB3 TYR 27 HB1 TYR 27 60.476 3.482 1.600 214 HD1 TYR 27 HD1 TYR 27 62.724 1.613 0.879 215 HD2 TYR 27 HD2 TYR 27 59.801 3.507 -1.646 216 HE1 TYR 27 HE1 TYR 27 64.177 1.272 -1.073 217 HE2 TYR 27 HE2 TYR 27 61.246 3.221 -3.568 218 HH TYR 27 HH TYR 27 63.209 2.391 -4.354 219 H GLU 28 HN GLU 28 61.624 -0.254 1.257 220 HA GLU 28 HA GLU 28 60.840 -1.556 -1.033 221 HB2 GLU 28 HB2 GLU 28 62.557 -3.343 -0.067 222 HB3 GLU 28 HB1 GLU 28 63.122 -1.718 -0.565 223 HG2 GLU 28 HG2 GLU 28 63.237 -0.889 1.710 224 HG3 GLU 28 HG1 GLU 28 62.419 -2.340 2.379 225 H GLU 29 HN GLU 29 60.141 -2.255 2.435 226 HA GLU 29 HA GLU 29 59.040 -4.807 1.899 227 HB2 GLU 29 HB2 GLU 29 58.659 -2.899 4.262 228 HB3 GLU 29 HB1 GLU 29 58.037 -4.590 4.200 229 HG2 GLU 29 HG2 GLU 29 60.357 -5.467 3.930 230 HG3 GLU 29 HG1 GLU 29 61.019 -3.797 4.005 231 H ALA 30 HN ALA 30 57.706 -1.462 1.954 232 HA ALA 30 HA ALA 30 55.001 -2.363 1.882 233 HB1 ALA 30 HB1 ALA 30 54.445 0.035 1.439 234 HB2 ALA 30 HB2 ALA 30 56.199 0.393 1.208 235 HB3 ALA 30 HB3 ALA 30 55.588 -0.122 2.820 236 H TYR 31 HN TYR 31 57.531 -1.886 -0.534 237 HA TYR 31 HA TYR 31 55.705 -1.714 -2.758 238 HB2 TYR 31 HB2 TYR 31 57.915 -0.672 -3.051 239 HB3 TYR 31 HB1 TYR 31 58.707 -2.057 -2.351 240 HD1 TYR 31 HD1 TYR 31 56.169 -1.923 -5.142 241 HD2 TYR 31 HD2 TYR 31 60.220 -2.758 -4.015 242 HE1 TYR 31 HE1 TYR 31 56.542 -2.966 -7.335 243 HE2 TYR 31 HE2 TYR 31 60.644 -3.720 -6.246 244 HH TYR 31 HH TYR 31 59.771 -4.277 -8.248 245 H LEU 32 HN LEU 32 58.008 -4.144 -1.456 246 HA LEU 32 HA LEU 32 57.368 -6.034 -3.386 247 HB2 LEU 32 HB2 LEU 32 58.799 -6.229 -0.690 248 HB3 LEU 32 HB1 LEU 32 58.793 -7.558 -1.889 249 HG LEU 32 HG LEU 32 59.786 -4.704 -2.540 250 HD11 LEU 32 HD11 LEU 32 61.490 -7.104 -1.582 251 HD12 LEU 32 HD12 LEU 32 61.117 -5.630 -0.615 252 HD13 LEU 32 HD13 LEU 32 62.104 -5.494 -2.117 253 HD21 LEU 32 HD21 LEU 32 61.030 -5.822 -4.389 254 HD22 LEU 32 HD22 LEU 32 59.256 -6.083 -4.539 255 HD23 LEU 32 HD23 LEU 32 60.313 -7.412 -3.930 256 H LYS 33 HN LYS 33 56.003 -5.517 -0.176 257 HA LYS 33 HA LYS 33 54.837 -8.066 0.161 258 HB2 LYS 33 HB2 LYS 33 55.187 -6.420 2.048 259 HB3 LYS 33 HB1 LYS 33 53.996 -5.336 1.319 260 HG2 LYS 33 HG2 LYS 33 52.918 -8.095 1.807 261 HG3 LYS 33 HG1 LYS 33 53.562 -7.305 3.288 262 HD2 LYS 33 HD2 LYS 33 52.152 -5.340 2.893 263 HD3 LYS 33 HD1 LYS 33 51.606 -6.014 1.318 264 HE2 LYS 33 HE2 LYS 33 51.006 -7.165 4.132 265 HE3 LYS 33 HE1 LYS 33 49.858 -6.315 3.024 266 HZ1 LYS 33 HZ1 LYS 33 49.579 -8.680 2.945 267 HZ2 LYS 33 HZ2 LYS 33 51.194 -8.901 2.465 268 HZ3 LYS 33 HZ3 LYS 33 50.109 -8.085 1.444 269 H PHE 34 HN PHE 34 53.679 -4.924 -1.122 270 HA PHE 34 HA PHE 34 51.059 -5.928 -1.765 271 HB2 PHE 34 HB2 PHE 34 52.511 -3.228 -2.127 272 HB3 PHE 34 HB1 PHE 34 50.869 -3.518 -2.788 273 HD1 PHE 34 HD1 PHE 34 48.942 -3.416 -1.346 274 HD2 PHE 34 HD2 PHE 34 52.880 -3.503 0.360 275 HE1 PHE 34 HE1 PHE 34 48.010 -2.820 0.871 276 HE2 PHE 34 HE2 PHE 34 51.968 -2.967 2.551 277 HZ PHE 34 HZ PHE 34 49.535 -2.550 2.830 278 H GLY 35 HN GLY 35 53.063 -3.913 -3.904 279 HA2 GLY 35 HA2 GLY 35 54.339 -5.586 -5.448 280 HA3 GLY 35 HA1 GLY 35 52.669 -5.623 -6.165 281 H ASP 36 HN ASP 36 52.678 -4.329 -7.910 282 HA ASP 36 HA ASP 36 54.339 -2.089 -8.152 283 HB2 ASP 36 HB2 ASP 36 53.099 -1.714 -10.331 284 HB3 ASP 36 HB1 ASP 36 53.810 -3.344 -10.123 285 H LYS 37 HN LYS 37 51.814 -2.320 -6.166 286 HA LYS 37 HA LYS 37 50.173 -0.167 -6.467 287 HB2 LYS 37 HB2 LYS 37 49.979 -2.158 -4.914 288 HB3 LYS 37 HB1 LYS 37 51.256 -1.412 -3.914 289 HG2 LYS 37 HG2 LYS 37 49.198 -1.024 -2.866 290 HG3 LYS 37 HG1 LYS 37 49.704 0.574 -3.499 291 HD2 LYS 37 HD2 LYS 37 47.780 -1.218 -5.098 292 HD3 LYS 37 HD1 LYS 37 47.199 -0.320 -3.654 293 HE2 LYS 37 HE2 LYS 37 47.955 1.840 -4.621 294 HE3 LYS 37 HE1 LYS 37 48.480 1.007 -6.132 295 HZ1 LYS 37 HZ1 LYS 37 46.222 0.257 -6.453 296 HZ2 LYS 37 HZ2 LYS 37 46.310 1.949 -6.361 297 HZ3 LYS 37 HZ3 LYS 37 45.717 1.058 -5.042 298 H LEU 38 HN LEU 38 53.431 -0.444 -4.964 299 HA LEU 38 HA LEU 38 53.425 2.269 -4.004 300 HB2 LEU 38 HB2 LEU 38 54.743 0.348 -2.839 301 HB3 LEU 38 HB1 LEU 38 55.740 0.238 -4.240 302 HG LEU 38 HG LEU 38 55.538 2.996 -3.024 303 HD11 LEU 38 HD11 LEU 38 56.974 0.725 -1.528 304 HD12 LEU 38 HD12 LEU 38 55.507 1.606 -0.968 305 HD13 LEU 38 HD13 LEU 38 57.074 2.478 -1.139 306 HD21 LEU 38 HD21 LEU 38 57.929 1.261 -3.915 307 HD22 LEU 38 HD22 LEU 38 58.013 2.995 -3.412 308 HD23 LEU 38 HD23 LEU 38 57.106 2.529 -4.901 309 H LEU 39 HN LEU 39 54.516 0.604 -6.949 310 HA LEU 39 HA LEU 39 56.195 2.670 -7.821 311 HB2 LEU 39 HB2 LEU 39 54.660 0.602 -9.479 312 HB3 LEU 39 HB1 LEU 39 56.014 1.621 -10.060 313 HG LEU 39 HG LEU 39 56.128 -0.540 -7.869 314 HD11 LEU 39 HD11 LEU 39 55.878 -1.429 -10.176 315 HD12 LEU 39 HD12 LEU 39 57.516 -1.797 -9.511 316 HD13 LEU 39 HD13 LEU 39 57.307 -0.465 -10.713 317 HD21 LEU 39 HD21 LEU 39 58.426 1.204 -8.969 318 HD22 LEU 39 HD22 LEU 39 58.621 -0.246 -7.915 319 HD23 LEU 39 HD23 LEU 39 57.780 1.210 -7.283 320 H GLU 40 HN GLU 40 52.732 1.930 -8.493 321 HA GLU 40 HA GLU 40 52.426 4.057 -10.324 322 HB2 GLU 40 HB2 GLU 40 49.980 3.650 -10.095 323 HB3 GLU 40 HB1 GLU 40 50.913 2.161 -10.494 324 HG2 GLU 40 HG2 GLU 40 50.783 1.464 -8.087 325 HG3 GLU 40 HG1 GLU 40 49.870 2.937 -7.686 326 H TYR 41 HN TYR 41 51.907 3.814 -6.775 327 HA TYR 41 HA TYR 41 50.445 6.272 -6.644 328 HB2 TYR 41 HB2 TYR 41 51.533 4.174 -4.699 329 HB3 TYR 41 HB1 TYR 41 51.249 5.769 -4.039 330 HD1 TYR 41 HD1 TYR 41 48.929 4.615 -6.790 331 HD2 TYR 41 HD2 TYR 41 49.578 5.078 -2.545 332 HE1 TYR 41 HE1 TYR 41 46.550 4.306 -6.396 333 HE2 TYR 41 HE2 TYR 41 47.176 4.707 -2.169 334 HH TYR 41 HH TYR 41 44.887 4.171 -4.870 335 H GLU 42 HN GLU 42 53.749 5.371 -6.785 336 HA GLU 42 HA GLU 42 54.839 7.747 -5.581 337 HB2 GLU 42 HB2 GLU 42 56.039 5.599 -5.583 338 HB3 GLU 42 HB1 GLU 42 56.059 5.586 -7.382 339 HG2 GLU 42 HG2 GLU 42 57.510 7.693 -7.316 340 HG3 GLU 42 HG1 GLU 42 57.530 7.565 -5.516 341 H LEU 43 HN LEU 43 54.133 6.517 -8.859 342 HA LEU 43 HA LEU 43 55.070 8.826 -10.225 343 HB2 LEU 43 HB2 LEU 43 53.276 6.447 -10.964 344 HB3 LEU 43 HB1 LEU 43 53.725 7.693 -12.165 345 HG LEU 43 HG LEU 43 55.767 5.999 -10.611 346 HD11 LEU 43 HD11 LEU 43 54.658 5.543 -13.452 347 HD12 LEU 43 HD12 LEU 43 54.322 4.529 -11.997 348 HD13 LEU 43 HD13 LEU 43 55.995 4.620 -12.664 349 HD21 LEU 43 HD21 LEU 43 56.096 7.763 -13.120 350 HD22 LEU 43 HD22 LEU 43 57.365 6.707 -12.394 351 HD23 LEU 43 HD23 LEU 43 56.738 8.117 -11.471 352 H LEU 44 HN LEU 44 52.148 8.018 -8.502 353 HA LEU 44 HA LEU 44 50.379 9.639 -10.011 354 HB2 LEU 44 HB2 LEU 44 49.590 7.629 -8.931 355 HB3 LEU 44 HB1 LEU 44 50.163 8.225 -7.346 356 HG LEU 44 HG LEU 44 48.433 9.878 -7.228 357 HD11 LEU 44 HD11 LEU 44 46.642 10.136 -8.987 358 HD12 LEU 44 HD12 LEU 44 47.563 9.033 -10.077 359 HD13 LEU 44 HD13 LEU 44 48.256 10.631 -9.605 360 HD21 LEU 44 HD21 LEU 44 46.409 8.404 -7.207 361 HD22 LEU 44 HD22 LEU 44 47.862 7.585 -6.516 362 HD23 LEU 44 HD23 LEU 44 47.298 7.176 -8.179 363 H GLY 45 HN GLY 45 51.214 9.893 -6.450 364 HA2 GLY 45 HA2 GLY 45 52.508 12.111 -6.260 365 HA3 GLY 45 HA1 GLY 45 50.885 12.776 -6.709 366 H LYS 46 HN LYS 46 50.439 9.884 -5.030 367 HA LYS 46 HA LYS 46 49.446 11.240 -2.729 368 HB2 LYS 46 HB2 LYS 46 49.679 8.301 -3.465 369 HB3 LYS 46 HB1 LYS 46 48.975 8.901 -1.919 370 HG2 LYS 46 HG2 LYS 46 47.367 10.293 -3.197 371 HG3 LYS 46 HG1 LYS 46 47.976 9.630 -4.753 372 HD2 LYS 46 HD2 LYS 46 47.085 7.439 -4.282 373 HD3 LYS 46 HD1 LYS 46 46.990 7.782 -2.523 374 HE2 LYS 46 HE2 LYS 46 44.713 7.843 -3.387 375 HE3 LYS 46 HE1 LYS 46 45.252 9.519 -2.916 376 HZ1 LYS 46 HZ1 LYS 46 44.070 9.487 -5.002 377 HZ2 LYS 46 HZ2 LYS 46 45.197 8.408 -5.675 378 HZ3 LYS 46 HZ3 LYS 46 45.683 9.972 -5.224 379 H ILE 47 HN ILE 47 52.027 8.842 -3.412 380 HA ILE 47 HA ILE 47 53.621 9.824 -1.133 381 HB ILE 47 HB ILE 47 54.910 7.715 -1.403 382 HG12 ILE 47 HG12 ILE 47 52.484 6.973 -3.163 383 HG13 ILE 47 HG11 ILE 47 54.160 7.215 -3.739 384 HG21 ILE 47 HG21 ILE 47 51.938 7.294 -0.693 385 HG22 ILE 47 HG22 ILE 47 53.142 8.126 0.379 386 HG23 ILE 47 HG23 ILE 47 53.385 6.401 -0.084 387 HD11 ILE 47 HD1 ILE 47 54.937 5.370 -2.413 388 HD12 ILE 47 HD2 ILE 47 53.656 4.807 -3.540 389 HD13 ILE 47 HD3 ILE 47 53.295 5.003 -1.779 390 H LYS 48 HN LYS 48 55.987 9.830 -1.745 391 HA LYS 48 HA LYS 48 56.506 9.641 -4.593 392 HB2 LYS 48 HB2 LYS 48 57.619 11.929 -2.839 393 HB3 LYS 48 HB1 LYS 48 58.078 11.622 -4.548 394 HG2 LYS 48 HG2 LYS 48 55.745 12.123 -5.272 395 HG3 LYS 48 HG1 LYS 48 55.289 12.494 -3.572 396 HD2 LYS 48 HD2 LYS 48 57.450 13.966 -5.202 397 HD3 LYS 48 HD1 LYS 48 55.756 14.527 -4.949 398 HE2 LYS 48 HE2 LYS 48 56.171 14.638 -2.456 399 HE3 LYS 48 HE1 LYS 48 57.892 14.143 -2.736 400 HZ1 LYS 48 HZ1 LYS 48 58.177 16.101 -4.093 401 HZ2 LYS 48 HZ2 LYS 48 57.659 16.505 -2.527 402 HZ3 LYS 48 HZ3 LYS 48 56.567 16.569 -3.826 403 H ARG 49 HN ARG 49 59.156 9.820 -4.664 404 HA ARG 49 HA ARG 49 60.446 8.882 -2.309 405 HB2 ARG 49 HB2 ARG 49 59.525 6.708 -3.159 406 HB3 ARG 49 HB1 ARG 49 60.272 7.007 -4.757 407 HG2 ARG 49 HG2 ARG 49 62.077 7.010 -2.300 408 HG3 ARG 49 HG1 ARG 49 61.352 5.460 -2.829 409 HD2 ARG 49 HD2 ARG 49 62.349 5.740 -5.121 410 HD3 ARG 49 HD1 ARG 49 63.126 7.290 -4.580 411 HE ARG 49 HE ARG 49 63.690 4.928 -2.870 412 HH11 ARG 49 HH11 ARG 49 65.851 4.067 -2.911 413 HH12 ARG 49 HH12 ARG 49 66.987 4.608 -4.101 414 HH21 ARG 49 HH21 ARG 49 64.746 6.861 -5.693 415 HH22 ARG 49 HH22 ARG 49 66.352 6.214 -5.700 416 H ILE 50 HN ILE 50 62.690 9.469 -2.556 417 HA ILE 50 HA ILE 50 63.613 10.106 -5.192 418 HB ILE 50 HB ILE 50 62.461 12.178 -4.723 419 HG12 ILE 50 HG12 ILE 50 64.320 13.820 -4.815 420 HG13 ILE 50 HG11 ILE 50 65.503 12.546 -4.391 421 HG21 ILE 50 HG21 ILE 50 62.332 11.998 -2.233 422 HG22 ILE 50 HG22 ILE 50 62.937 13.598 -2.782 423 HG23 ILE 50 HG23 ILE 50 64.090 12.395 -2.115 424 HD11 ILE 50 HD1 ILE 50 63.693 12.548 -6.906 425 HD12 ILE 50 HD2 ILE 50 64.964 11.325 -6.522 426 HD13 ILE 50 HD3 ILE 50 65.430 13.029 -6.862 427 H ASN 51 HN ASN 51 64.111 10.033 -1.644 428 HA ASN 51 HA ASN 51 66.948 10.157 -1.959 429 HB2 ASN 51 HB2 ASN 51 65.752 11.301 -0.086 430 HB3 ASN 51 HB1 ASN 51 65.188 9.723 0.540 431 HD21 ASN 51 HD21 ASN 51 68.016 9.853 2.707 432 HD22 ASN 51 HD22 ASN 51 66.292 9.842 2.540 433 H HIS 52 HN HIS 52 65.359 7.884 0.271 434 HA HIS 52 HA HIS 52 66.533 5.611 -1.177 435 HB2 HIS 52 HB2 HIS 52 66.510 6.088 1.869 436 HB3 HIS 52 HB1 HIS 52 67.073 4.589 1.042 437 HD1 HIS 52 HD1 HIS 52 69.038 5.340 -0.933 438 HD2 HIS 52 HD2 HIS 52 68.640 7.678 2.530 439 HE1 HIS 52 HE1 HIS 52 71.192 6.644 -0.652 440 HE2 HIS 52 HE2 HIS 52 70.907 8.045 1.440 441 H ILE 53 HN ILE 53 64.124 7.058 1.028 442 HA ILE 53 HA ILE 53 62.461 4.648 0.806 443 HB ILE 53 HB ILE 53 61.528 5.282 2.981 444 HG12 ILE 53 HG12 ILE 53 63.967 7.166 3.225 445 HG13 ILE 53 HG11 ILE 53 62.289 7.724 2.895 446 HG21 ILE 53 HG21 ILE 53 64.552 4.650 2.891 447 HG22 ILE 53 HG22 ILE 53 63.209 3.472 2.640 448 HG23 ILE 53 HG23 ILE 53 63.425 4.266 4.236 449 HD11 ILE 53 HD1 ILE 53 61.522 6.511 4.966 450 HD12 ILE 53 HD2 ILE 53 62.620 7.916 5.289 451 HD13 ILE 53 HD3 ILE 53 63.248 6.227 5.410 452 H VAL 54 HN VAL 54 60.055 5.274 1.243 453 HA VAL 54 HA VAL 54 59.396 7.317 -0.602 454 HB VAL 54 HB VAL 54 57.001 7.016 0.175 455 HG11 VAL 54 HG11 VAL 54 58.006 5.848 -1.808 456 HG12 VAL 54 HG12 VAL 54 56.660 4.959 -1.003 457 HG13 VAL 54 HG13 VAL 54 58.349 4.443 -0.725 458 HG21 VAL 54 HG21 VAL 54 56.485 5.026 1.591 459 HG22 VAL 54 HG22 VAL 54 57.459 6.218 2.514 460 HG23 VAL 54 HG23 VAL 54 58.238 4.729 1.866 461 H VAL 55 HN VAL 55 58.120 9.233 -0.093 462 HA VAL 55 HA VAL 55 58.137 10.055 2.725 463 HB VAL 55 HB VAL 55 58.073 12.417 1.945 464 HG11 VAL 55 HG11 VAL 55 60.600 10.836 1.115 465 HG12 VAL 55 HG12 VAL 55 60.171 11.343 2.792 466 HG13 VAL 55 HG13 VAL 55 60.519 12.586 1.534 467 HG21 VAL 55 HG21 VAL 55 57.283 12.040 -0.417 468 HG22 VAL 55 HG22 VAL 55 58.840 11.220 -0.815 469 HG23 VAL 55 HG23 VAL 55 58.822 12.963 -0.381 470 H LEU 56 HN LEU 56 56.127 11.177 3.280 471 HA LEU 56 HA LEU 56 53.871 10.375 1.590 472 HB2 LEU 56 HB2 LEU 56 54.047 11.808 4.304 473 HB3 LEU 56 HB1 LEU 56 52.503 11.498 3.449 474 HG LEU 56 HG LEU 56 54.375 9.216 4.294 475 HD11 LEU 56 HD11 LEU 56 52.918 8.961 6.316 476 HD12 LEU 56 HD12 LEU 56 52.048 10.477 5.884 477 HD13 LEU 56 HD13 LEU 56 53.798 10.533 6.320 478 HD21 LEU 56 HD21 LEU 56 52.270 7.869 4.188 479 HD22 LEU 56 HD22 LEU 56 52.700 8.584 2.588 480 HD23 LEU 56 HD23 LEU 56 51.377 9.309 3.578 481 H ALA 57 HN ALA 57 52.520 11.999 0.667 482 HA ALA 57 HA ALA 57 53.613 14.682 0.475 483 HB1 ALA 57 HB1 ALA 57 50.912 13.570 -0.493 484 HB2 ALA 57 HB2 ALA 57 52.378 13.799 -1.511 485 HB3 ALA 57 HB3 ALA 57 51.543 15.231 -0.808 486 H HIS 58 HN HIS 58 52.893 16.386 1.771 487 HA HIS 58 HA HIS 58 51.959 15.561 4.288 488 HB2 HIS 58 HB2 HIS 58 52.512 18.384 3.202 489 HB3 HIS 58 HB1 HIS 58 52.159 17.983 4.922 490 HD1 HIS 58 HD1 HIS 58 54.787 17.149 2.258 491 HD2 HIS 58 HD2 HIS 58 54.339 17.240 6.431 492 HE1 HIS 58 HE1 HIS 58 57.059 16.671 3.272 493 HE2 HIS 58 HE2 HIS 58 56.744 16.731 5.785 494 H HIS 59 HN HIS 59 50.628 18.074 2.025 495 HA HIS 59 HA HIS 59 47.975 17.624 3.169 496 HB2 HIS 59 HB2 HIS 59 48.746 19.987 2.882 497 HB3 HIS 59 HB1 HIS 59 48.960 19.688 1.124 498 HD1 HIS 59 HD1 HIS 59 47.166 21.772 1.142 499 HD2 HIS 59 HD2 HIS 59 45.657 18.039 2.330 500 HE1 HIS 59 HE1 HIS 59 44.639 21.890 0.975 501 HE2 HIS 59 HE2 HIS 59 43.772 19.623 1.704 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 38.816 -19.678 -9.078 2 H2 MET 1 HT2 MET 1 38.723 -18.417 -10.214 3 H3 MET 1 HT3 MET 1 39.974 -19.563 -10.316 4 HA MET 1 HA MET 1 37.109 -20.065 -10.644 5 HB2 MET 1 HB2 MET 1 37.464 -20.406 -13.015 6 HB3 MET 1 HB1 MET 1 38.117 -18.807 -12.570 7 HG2 MET 1 HG2 MET 1 39.787 -21.371 -12.999 8 HG3 MET 1 HG1 MET 1 39.475 -20.116 -14.224 9 HE1 MET 1 HE1 MET 1 43.286 -19.852 -13.529 10 HE2 MET 1 HE2 MET 1 41.980 -20.122 -14.733 11 HE3 MET 1 HE3 MET 1 42.262 -21.325 -13.427 12 H LEU 2 HN LEU 2 36.968 -22.245 -12.078 13 HA LEU 2 HA LEU 2 36.990 -24.361 -12.122 14 HB2 LEU 2 HB2 LEU 2 39.452 -24.270 -12.528 15 HB3 LEU 2 HB1 LEU 2 39.729 -24.461 -10.774 16 HG LEU 2 HG LEU 2 38.470 -26.679 -10.889 17 HD11 LEU 2 HD11 LEU 2 38.666 -26.260 -13.941 18 HD12 LEU 2 HD12 LEU 2 37.149 -26.365 -12.969 19 HD13 LEU 2 HD13 LEU 2 38.224 -27.800 -13.114 20 HD21 LEU 2 HD21 LEU 2 40.951 -26.558 -10.849 21 HD22 LEU 2 HD22 LEU 2 40.990 -26.439 -12.650 22 HD23 LEU 2 HD23 LEU 2 40.380 -27.941 -11.857 23 H LYS 3 HN LYS 3 38.808 -24.625 -9.052 24 HA LYS 3 HA LYS 3 36.313 -24.736 -7.568 25 HB2 LYS 3 HB2 LYS 3 36.864 -27.081 -8.420 26 HB3 LYS 3 HB1 LYS 3 38.376 -27.036 -7.469 27 HG2 LYS 3 HG2 LYS 3 35.594 -26.580 -6.207 28 HG3 LYS 3 HG1 LYS 3 36.213 -28.228 -6.559 29 HD2 LYS 3 HD2 LYS 3 38.162 -27.887 -5.085 30 HD3 LYS 3 HD1 LYS 3 37.608 -26.225 -4.686 31 HE2 LYS 3 HE2 LYS 3 35.488 -27.146 -3.698 32 HE3 LYS 3 HE1 LYS 3 36.037 -28.827 -4.095 33 HZ1 LYS 3 HZ1 LYS 3 37.424 -26.907 -2.300 34 HZ2 LYS 3 HZ2 LYS 3 37.936 -28.483 -2.670 35 HZ3 LYS 3 HZ3 LYS 3 36.482 -28.239 -1.826 36 H ASP 4 HN ASP 4 36.617 -23.466 -5.845 37 HA ASP 4 HA ASP 4 39.341 -23.160 -4.763 38 HB2 ASP 4 HB2 ASP 4 37.067 -21.074 -4.830 39 HB3 ASP 4 HB1 ASP 4 38.683 -20.844 -4.060 40 H TYR 5 HN TYR 5 39.047 -22.297 -2.359 41 HA TYR 5 HA TYR 5 37.261 -24.243 -1.098 42 HB2 TYR 5 HB2 TYR 5 39.648 -22.784 0.097 43 HB3 TYR 5 HB1 TYR 5 38.741 -24.163 0.837 44 HD1 TYR 5 HD1 TYR 5 38.611 -26.335 -0.670 45 HD2 TYR 5 HD2 TYR 5 41.566 -23.251 -1.147 46 HE1 TYR 5 HE1 TYR 5 40.076 -27.927 -1.856 47 HE2 TYR 5 HE2 TYR 5 43.034 -24.836 -2.336 48 HH TYR 5 HH TYR 5 43.292 -26.934 -3.117 49 H HIS 6 HN HIS 6 37.825 -22.577 1.438 50 HA HIS 6 HA HIS 6 35.531 -20.822 1.199 51 HB2 HIS 6 HB2 HIS 6 37.222 -21.792 3.537 52 HB3 HIS 6 HB1 HIS 6 35.870 -20.631 3.711 53 HD1 HIS 6 HD1 HIS 6 36.449 -24.244 2.586 54 HD2 HIS 6 HD2 HIS 6 33.359 -21.761 3.967 55 HE1 HIS 6 HE1 HIS 6 34.417 -25.710 2.967 56 HE2 HIS 6 HE2 HIS 6 32.579 -24.175 3.796 57 H LEU 7 HN LEU 7 38.691 -20.469 0.371 58 HA LEU 7 HA LEU 7 39.541 -18.424 2.087 59 HB2 LEU 7 HB2 LEU 7 40.549 -19.073 -0.752 60 HB3 LEU 7 HB1 LEU 7 41.422 -18.097 0.480 61 HG LEU 7 HG LEU 7 40.717 -21.088 0.674 62 HD11 LEU 7 HD11 LEU 7 43.141 -21.498 0.349 63 HD12 LEU 7 HD12 LEU 7 43.431 -19.728 0.148 64 HD13 LEU 7 HD13 LEU 7 42.431 -20.623 -1.059 65 HD21 LEU 7 HD21 LEU 7 42.401 -19.355 2.590 66 HD22 LEU 7 HD22 LEU 7 42.240 -21.151 2.651 67 HD23 LEU 7 HD23 LEU 7 40.802 -20.115 2.947 68 H LYS 8 HN LYS 8 38.825 -16.367 2.158 69 HA LYS 8 HA LYS 8 38.280 -14.961 -0.313 70 HB2 LYS 8 HB2 LYS 8 36.062 -15.956 0.362 71 HB3 LYS 8 HB1 LYS 8 36.222 -15.193 1.973 72 HG2 LYS 8 HG2 LYS 8 36.244 -12.919 0.863 73 HG3 LYS 8 HG1 LYS 8 36.071 -13.709 -0.741 74 HD2 LYS 8 HD2 LYS 8 34.046 -13.902 1.582 75 HD3 LYS 8 HD1 LYS 8 33.942 -12.753 0.201 76 HE2 LYS 8 HE2 LYS 8 33.777 -14.684 -1.411 77 HE3 LYS 8 HE1 LYS 8 33.824 -15.843 -0.020 78 HZ1 LYS 8 HZ1 LYS 8 31.830 -14.818 0.833 79 HZ2 LYS 8 HZ2 LYS 8 31.600 -15.400 -0.746 80 HZ3 LYS 8 HZ3 LYS 8 31.782 -13.733 -0.473 81 H GLU 9 HN GLU 9 40.126 -13.771 0.130 82 HA GLU 9 HA GLU 9 40.079 -12.148 2.562 83 HB2 GLU 9 HB2 GLU 9 42.465 -11.683 2.112 84 HB3 GLU 9 HB1 GLU 9 42.143 -13.433 2.337 85 HG2 GLU 9 HG2 GLU 9 42.211 -13.821 -0.122 86 HG3 GLU 9 HG1 GLU 9 42.466 -12.059 -0.406 87 H MET 10 HN MET 10 41.454 -9.940 1.675 88 HA MET 10 HA MET 10 39.878 -8.957 -0.621 89 HB2 MET 10 HB2 MET 10 40.723 -7.443 1.896 90 HB3 MET 10 HB1 MET 10 40.095 -6.687 0.390 91 HG2 MET 10 HG2 MET 10 38.238 -6.750 1.776 92 HG3 MET 10 HG1 MET 10 37.994 -8.110 0.641 93 HE1 MET 10 HE1 MET 10 36.216 -7.710 3.080 94 HE2 MET 10 HE2 MET 10 36.119 -9.372 3.759 95 HE3 MET 10 HE3 MET 10 36.127 -9.129 1.978 96 HA PRO 11 HA PRO 11 44.385 -8.535 -1.405 97 HB2 PRO 11 HB2 PRO 11 44.523 -9.489 -3.989 98 HB3 PRO 11 HB1 PRO 11 44.296 -10.614 -2.594 99 HG2 PRO 11 HG1 PRO 11 42.130 -9.473 -4.440 100 HG3 PRO 11 HG2 PRO 11 42.398 -11.201 -3.964 101 HD2 PRO 11 HD1 PRO 11 40.595 -9.478 -2.664 102 HD3 PRO 11 HD2 PRO 11 41.455 -10.837 -1.806 103 H GLU 12 HN GLU 12 41.509 -7.097 -2.591 104 HA GLU 12 HA GLU 12 42.907 -5.284 -4.418 105 HB2 GLU 12 HB2 GLU 12 39.899 -5.715 -3.947 106 HB3 GLU 12 HB1 GLU 12 40.633 -4.634 -5.184 107 HG2 GLU 12 HG2 GLU 12 40.814 -7.719 -5.068 108 HG3 GLU 12 HG1 GLU 12 39.817 -6.740 -6.201 109 H MET 13 HN MET 13 43.831 -4.737 -2.084 110 HA MET 13 HA MET 13 42.186 -2.694 -0.788 111 HB2 MET 13 HB2 MET 13 43.913 -2.864 1.041 112 HB3 MET 13 HB1 MET 13 42.925 -4.345 0.801 113 HG2 MET 13 HG2 MET 13 44.688 -5.460 -0.449 114 HG3 MET 13 HG1 MET 13 45.627 -3.938 -0.531 115 HE1 MET 13 HE1 MET 13 46.565 -6.930 0.284 116 HE2 MET 13 HE2 MET 13 47.793 -6.497 1.524 117 HE3 MET 13 HE3 MET 13 47.631 -5.506 0.034 118 H GLU 14 HN GLU 14 43.405 -0.651 -0.180 119 HA GLU 14 HA GLU 14 45.770 -0.100 -1.683 120 HB2 GLU 14 HB2 GLU 14 44.859 1.627 -3.157 121 HB3 GLU 14 HB1 GLU 14 43.994 0.087 -3.469 122 HG2 GLU 14 HG2 GLU 14 42.025 0.864 -2.150 123 HG3 GLU 14 HG1 GLU 14 42.861 2.414 -1.773 124 H ASP 15 HN ASP 15 43.177 0.747 0.496 125 HA ASP 15 HA ASP 15 44.501 3.220 1.234 126 HB2 ASP 15 HB2 ASP 15 42.754 3.714 2.725 127 HB3 ASP 15 HB1 ASP 15 42.043 3.251 1.146 128 H GLU 16 HN GLU 16 44.345 -0.145 2.167 129 HA GLU 16 HA GLU 16 45.547 0.076 4.695 130 HB2 GLU 16 HB2 GLU 16 45.610 -2.141 2.727 131 HB3 GLU 16 HB1 GLU 16 46.263 -2.253 4.399 132 HG2 GLU 16 HG2 GLU 16 43.960 -1.704 5.302 133 HG3 GLU 16 HG1 GLU 16 43.314 -1.709 3.618 134 H PHE 17 HN PHE 17 46.767 0.016 1.316 135 HA PHE 17 HA PHE 17 49.499 -0.062 1.927 136 HB2 PHE 17 HB2 PHE 17 48.611 -0.500 -0.370 137 HB3 PHE 17 HB1 PHE 17 47.968 1.165 -0.455 138 HD1 PHE 17 HD1 PHE 17 51.130 -0.820 -0.275 139 HD2 PHE 17 HD2 PHE 17 49.319 2.976 -1.113 140 HE1 PHE 17 HE1 PHE 17 53.254 -0.033 -1.283 141 HE2 PHE 17 HE2 PHE 17 51.461 3.783 -2.055 142 HZ PHE 17 HZ PHE 17 53.446 2.305 -2.060 143 H LEU 18 HN LEU 18 47.135 2.644 1.668 144 HA LEU 18 HA LEU 18 49.042 4.684 1.763 145 HB2 LEU 18 HB2 LEU 18 46.033 4.479 2.154 146 HB3 LEU 18 HB1 LEU 18 46.803 6.041 2.454 147 HG LEU 18 HG LEU 18 47.074 4.450 -0.164 148 HD11 LEU 18 HD11 LEU 18 44.697 5.126 0.252 149 HD12 LEU 18 HD12 LEU 18 45.419 5.991 -1.148 150 HD13 LEU 18 HD13 LEU 18 45.219 6.843 0.431 151 HD21 LEU 18 HD21 LEU 18 47.872 6.591 -1.163 152 HD22 LEU 18 HD22 LEU 18 48.964 6.040 0.149 153 HD23 LEU 18 HD23 LEU 18 47.801 7.385 0.455 154 H GLU 19 HN GLU 19 47.676 2.745 4.393 155 HA GLU 19 HA GLU 19 48.350 4.814 6.358 156 HB2 GLU 19 HB2 GLU 19 47.091 2.022 6.631 157 HB3 GLU 19 HB1 GLU 19 47.413 3.158 7.997 158 HG2 GLU 19 HG2 GLU 19 45.910 4.857 6.921 159 HG3 GLU 19 HG1 GLU 19 45.507 3.693 5.623 160 H TYR 20 HN TYR 20 49.561 1.953 4.817 161 HA TYR 20 HA TYR 20 51.361 1.132 6.908 162 HB2 TYR 20 HB2 TYR 20 50.843 0.433 3.958 163 HB3 TYR 20 HB1 TYR 20 52.230 -0.249 4.753 164 HD1 TYR 20 HD1 TYR 20 49.060 0.132 6.738 165 HD2 TYR 20 HD2 TYR 20 51.690 -2.476 4.579 166 HE1 TYR 20 HE1 TYR 20 47.851 -1.812 7.635 167 HE2 TYR 20 HE2 TYR 20 50.471 -4.441 5.451 168 HH TYR 20 HH TYR 20 47.644 -4.056 7.642 169 H CYS 21 HN CYS 21 51.244 3.307 4.269 170 HA CYS 21 HA CYS 21 53.971 3.218 3.641 171 HB2 CYS 21 HB2 CYS 21 51.915 5.424 3.041 172 HB3 CYS 21 HB1 CYS 21 53.624 5.575 2.545 173 HG CYS 21 HG1 CYS 21 52.269 4.930 0.502 174 H ALA 22 HN ALA 22 52.263 4.571 6.264 175 HA ALA 22 HA ALA 22 53.884 6.768 6.952 176 HB1 ALA 22 HB1 ALA 22 52.666 6.639 9.127 177 HB2 ALA 22 HB2 ALA 22 52.038 5.004 8.675 178 HB3 ALA 22 HB3 ALA 22 51.524 6.454 7.742 179 H LYS 23 HN LYS 23 54.430 3.394 6.986 180 HA LYS 23 HA LYS 23 56.671 3.592 8.838 181 HB2 LYS 23 HB2 LYS 23 55.324 1.436 8.820 182 HB3 LYS 23 HB1 LYS 23 55.711 1.254 7.086 183 HG2 LYS 23 HG2 LYS 23 58.244 1.329 7.858 184 HG3 LYS 23 HG1 LYS 23 57.594 1.144 9.518 185 HD2 LYS 23 HD2 LYS 23 58.228 -1.039 8.736 186 HD3 LYS 23 HD1 LYS 23 56.427 -0.996 8.722 187 HE2 LYS 23 HE2 LYS 23 56.488 -0.596 6.208 188 HE3 LYS 23 HE1 LYS 23 58.296 -0.628 6.265 189 HZ1 LYS 23 HZ1 LYS 23 58.178 -2.883 7.062 190 HZ2 LYS 23 HZ2 LYS 23 57.356 -2.716 5.587 191 HZ3 LYS 23 HZ3 LYS 23 56.480 -2.852 7.037 192 H ASN 24 HN ASN 24 57.487 5.322 7.606 193 HA ASN 24 HA ASN 24 58.143 5.205 4.917 194 HB2 ASN 24 HB2 ASN 24 59.406 6.943 7.112 195 HB3 ASN 24 HB1 ASN 24 59.626 7.180 5.341 196 HD21 ASN 24 HD21 ASN 24 57.564 7.496 4.026 197 HD22 ASN 24 HD22 ASN 24 56.253 8.369 4.749 198 HA PRO 25 HA PRO 25 62.548 3.741 6.108 199 HB2 PRO 25 HB2 PRO 25 62.574 1.974 8.390 200 HB3 PRO 25 HB1 PRO 25 63.221 3.671 8.351 201 HG2 PRO 25 HG1 PRO 25 60.465 2.700 9.256 202 HG3 PRO 25 HG2 PRO 25 61.544 3.924 10.051 203 HD2 PRO 25 HD1 PRO 25 59.448 4.746 8.514 204 HD3 PRO 25 HD2 PRO 25 61.057 5.565 8.299 205 H SER 26 HN SER 26 63.171 1.882 5.000 206 HA SER 26 HA SER 26 62.974 0.068 3.875 207 HB2 SER 26 HB2 SER 26 61.441 -0.909 6.335 208 HB3 SER 26 HB1 SER 26 61.867 -1.987 4.933 209 HG SER 26 HG1 SER 26 63.376 -2.058 6.592 210 H TYR 27 HN TYR 27 61.818 1.646 2.534 211 HA TYR 27 HA TYR 27 59.006 1.541 2.329 212 HB2 TYR 27 HB2 TYR 27 59.188 3.053 0.560 213 HB3 TYR 27 HB1 TYR 27 60.512 3.533 1.687 214 HD1 TYR 27 HD1 TYR 27 59.707 3.405 -1.617 215 HD2 TYR 27 HD2 TYR 27 62.833 1.961 0.957 216 HE1 TYR 27 HE1 TYR 27 61.177 3.135 -3.563 217 HE2 TYR 27 HE2 TYR 27 64.328 1.731 -0.981 218 HH TYR 27 HH TYR 27 64.544 1.902 -3.216 219 H GLU 28 HN GLU 28 61.686 -0.161 1.127 220 HA GLU 28 HA GLU 28 60.764 -1.348 -1.185 221 HB2 GLU 28 HB2 GLU 28 62.622 -3.108 -0.474 222 HB3 GLU 28 HB1 GLU 28 63.086 -1.431 -0.901 223 HG2 GLU 28 HG2 GLU 28 63.341 -0.747 1.411 224 HG3 GLU 28 HG1 GLU 28 62.631 -2.270 2.041 225 H GLU 29 HN GLU 29 60.247 -2.094 2.272 226 HA GLU 29 HA GLU 29 59.226 -4.719 1.760 227 HB2 GLU 29 HB2 GLU 29 59.128 -2.903 4.220 228 HB3 GLU 29 HB1 GLU 29 58.466 -4.580 4.174 229 HG2 GLU 29 HG2 GLU 29 60.700 -5.507 3.633 230 HG3 GLU 29 HG1 GLU 29 61.415 -3.857 3.603 231 H ALA 30 HN ALA 30 57.905 -1.397 1.956 232 HA ALA 30 HA ALA 30 55.185 -2.289 2.101 233 HB1 ALA 30 HB1 ALA 30 56.336 0.472 1.364 234 HB2 ALA 30 HB2 ALA 30 55.844 -0.053 3.013 235 HB3 ALA 30 HB3 ALA 30 54.604 0.106 1.720 236 H TYR 31 HN TYR 31 57.574 -1.843 -0.428 237 HA TYR 31 HA TYR 31 55.669 -1.620 -2.579 238 HB2 TYR 31 HB2 TYR 31 57.884 -0.588 -2.933 239 HB3 TYR 31 HB1 TYR 31 58.681 -1.975 -2.235 240 HD1 TYR 31 HD1 TYR 31 56.116 -2.112 -4.962 241 HD2 TYR 31 HD2 TYR 31 60.265 -2.379 -3.940 242 HE1 TYR 31 HE1 TYR 31 56.571 -3.128 -7.162 243 HE2 TYR 31 HE2 TYR 31 60.760 -3.316 -6.168 244 HH TYR 31 HH TYR 31 59.922 -4.017 -8.138 245 H LEU 32 HN LEU 32 58.017 -4.096 -1.438 246 HA LEU 32 HA LEU 32 57.240 -5.906 -3.398 247 HB2 LEU 32 HB2 LEU 32 58.884 -6.167 -0.832 248 HB3 LEU 32 HB1 LEU 32 58.759 -7.484 -2.036 249 HG LEU 32 HG LEU 32 59.734 -4.633 -2.723 250 HD11 LEU 32 HD11 LEU 32 61.466 -7.096 -2.015 251 HD12 LEU 32 HD12 LEU 32 61.235 -5.636 -0.982 252 HD13 LEU 32 HD13 LEU 32 62.064 -5.488 -2.576 253 HD21 LEU 32 HD21 LEU 32 60.040 -7.307 -4.241 254 HD22 LEU 32 HD22 LEU 32 60.771 -5.729 -4.718 255 HD23 LEU 32 HD23 LEU 32 58.983 -5.921 -4.708 256 H LYS 33 HN LYS 33 56.048 -5.453 -0.141 257 HA LYS 33 HA LYS 33 54.887 -7.994 0.239 258 HB2 LYS 33 HB2 LYS 33 55.232 -6.336 2.107 259 HB3 LYS 33 HB1 LYS 33 54.043 -5.254 1.370 260 HG2 LYS 33 HG2 LYS 33 52.995 -8.030 1.897 261 HG3 LYS 33 HG1 LYS 33 53.596 -7.180 3.364 262 HD2 LYS 33 HD2 LYS 33 52.157 -5.274 2.913 263 HD3 LYS 33 HD1 LYS 33 51.661 -5.962 1.327 264 HE2 LYS 33 HE2 LYS 33 51.003 -7.135 4.117 265 HE3 LYS 33 HE1 LYS 33 49.875 -6.278 2.995 266 HZ1 LYS 33 HZ1 LYS 33 51.238 -8.848 2.428 267 HZ2 LYS 33 HZ2 LYS 33 50.173 -8.023 1.395 268 HZ3 LYS 33 HZ3 LYS 33 49.612 -8.643 2.874 269 H PHE 34 HN PHE 34 53.709 -4.893 -1.126 270 HA PHE 34 HA PHE 34 51.095 -5.938 -1.739 271 HB2 PHE 34 HB2 PHE 34 52.491 -3.217 -2.185 272 HB3 PHE 34 HB1 PHE 34 50.863 -3.573 -2.832 273 HD1 PHE 34 HD1 PHE 34 48.935 -3.414 -1.402 274 HD2 PHE 34 HD2 PHE 34 52.864 -3.489 0.323 275 HE1 PHE 34 HE1 PHE 34 47.989 -2.825 0.811 276 HE2 PHE 34 HE2 PHE 34 51.942 -2.937 2.509 277 HZ PHE 34 HZ PHE 34 49.495 -2.543 2.774 278 H GLY 35 HN GLY 35 53.115 -3.969 -3.924 279 HA2 GLY 35 HA2 GLY 35 54.373 -5.617 -5.466 280 HA3 GLY 35 HA1 GLY 35 52.686 -5.796 -6.109 281 H ASP 36 HN ASP 36 52.250 -4.485 -7.759 282 HA ASP 36 HA ASP 36 53.977 -2.348 -8.398 283 HB2 ASP 36 HB2 ASP 36 51.309 -3.189 -9.667 284 HB3 ASP 36 HB1 ASP 36 52.455 -1.986 -10.362 285 H LYS 37 HN LYS 37 51.667 -2.406 -6.070 286 HA LYS 37 HA LYS 37 50.073 -0.193 -6.450 287 HB2 LYS 37 HB2 LYS 37 49.742 -2.054 -4.778 288 HB3 LYS 37 HB1 LYS 37 51.114 -1.402 -3.857 289 HG2 LYS 37 HG2 LYS 37 48.986 -0.716 -2.850 290 HG3 LYS 37 HG1 LYS 37 49.903 0.713 -3.439 291 HD2 LYS 37 HD2 LYS 37 47.525 0.999 -3.846 292 HD3 LYS 37 HD1 LYS 37 48.410 0.910 -5.404 293 HE2 LYS 37 HE2 LYS 37 47.645 -1.488 -5.693 294 HE3 LYS 37 HE1 LYS 37 46.778 -1.388 -4.105 295 HZ1 LYS 37 HZ1 LYS 37 46.258 0.290 -6.505 296 HZ2 LYS 37 HZ2 LYS 37 45.436 0.382 -5.020 297 HZ3 LYS 37 HZ3 LYS 37 45.326 -1.023 -5.966 298 H LEU 38 HN LEU 38 53.343 -0.550 -4.965 299 HA LEU 38 HA LEU 38 53.408 2.210 -4.136 300 HB2 LEU 38 HB2 LEU 38 54.710 0.327 -2.897 301 HB3 LEU 38 HB1 LEU 38 55.721 0.168 -4.294 302 HG LEU 38 HG LEU 38 55.476 2.968 -3.202 303 HD11 LEU 38 HD11 LEU 38 56.971 2.606 -1.269 304 HD12 LEU 38 HD12 LEU 38 56.937 0.828 -1.546 305 HD13 LEU 38 HD13 LEU 38 55.431 1.691 -1.072 306 HD21 LEU 38 HD21 LEU 38 57.907 1.240 -3.983 307 HD22 LEU 38 HD22 LEU 38 57.951 2.990 -3.538 308 HD23 LEU 38 HD23 LEU 38 57.077 2.456 -5.023 309 H LEU 39 HN LEU 39 54.430 0.379 -7.007 310 HA LEU 39 HA LEU 39 56.167 2.318 -8.002 311 HB2 LEU 39 HB2 LEU 39 54.458 0.294 -9.539 312 HB3 LEU 39 HB1 LEU 39 55.834 1.227 -10.215 313 HG LEU 39 HG LEU 39 55.962 -0.851 -7.947 314 HD11 LEU 39 HD11 LEU 39 56.975 -0.962 -10.853 315 HD12 LEU 39 HD12 LEU 39 55.526 -1.816 -10.198 316 HD13 LEU 39 HD13 LEU 39 57.174 -2.252 -9.603 317 HD21 LEU 39 HD21 LEU 39 58.467 -0.674 -8.178 318 HD22 LEU 39 HD22 LEU 39 57.729 0.834 -7.541 319 HD23 LEU 39 HD23 LEU 39 58.254 0.747 -9.266 320 H GLU 40 HN GLU 40 52.642 1.777 -8.590 321 HA GLU 40 HA GLU 40 52.467 3.880 -10.468 322 HB2 GLU 40 HB2 GLU 40 49.998 3.595 -10.240 323 HB3 GLU 40 HB1 GLU 40 50.867 2.059 -10.615 324 HG2 GLU 40 HG2 GLU 40 50.701 1.426 -8.174 325 HG3 GLU 40 HG1 GLU 40 49.834 2.937 -7.841 326 H TYR 41 HN TYR 41 51.934 3.718 -6.919 327 HA TYR 41 HA TYR 41 50.559 6.230 -6.817 328 HB2 TYR 41 HB2 TYR 41 51.619 4.135 -4.840 329 HB3 TYR 41 HB1 TYR 41 51.285 5.737 -4.208 330 HD1 TYR 41 HD1 TYR 41 48.995 4.604 -6.961 331 HD2 TYR 41 HD2 TYR 41 49.652 4.890 -2.704 332 HE1 TYR 41 HE1 TYR 41 46.653 4.096 -6.571 333 HE2 TYR 41 HE2 TYR 41 47.284 4.343 -2.329 334 HH TYR 41 HH TYR 41 45.018 3.791 -5.055 335 H GLU 42 HN GLU 42 53.845 5.187 -6.919 336 HA GLU 42 HA GLU 42 54.964 7.558 -5.708 337 HB2 GLU 42 HB2 GLU 42 56.117 5.377 -5.578 338 HB3 GLU 42 HB1 GLU 42 56.265 5.335 -7.371 339 HG2 GLU 42 HG2 GLU 42 57.724 7.421 -7.250 340 HG3 GLU 42 HG1 GLU 42 57.567 7.391 -5.453 341 H LEU 43 HN LEU 43 54.400 6.243 -8.977 342 HA LEU 43 HA LEU 43 55.554 8.432 -10.363 343 HB2 LEU 43 HB2 LEU 43 53.692 6.112 -11.113 344 HB3 LEU 43 HB1 LEU 43 54.235 7.296 -12.337 345 HG LEU 43 HG LEU 43 56.146 5.587 -10.642 346 HD11 LEU 43 HD11 LEU 43 55.156 5.089 -13.520 347 HD12 LEU 43 HD12 LEU 43 54.710 4.130 -12.058 348 HD13 LEU 43 HD13 LEU 43 56.416 4.140 -12.642 349 HD21 LEU 43 HD21 LEU 43 56.651 7.265 -13.182 350 HD22 LEU 43 HD22 LEU 43 57.847 6.184 -12.373 351 HD23 LEU 43 HD23 LEU 43 57.234 7.642 -11.516 352 H LEU 44 HN LEU 44 52.484 7.851 -8.817 353 HA LEU 44 HA LEU 44 50.967 9.658 -10.416 354 HB2 LEU 44 HB2 LEU 44 49.898 7.709 -9.515 355 HB3 LEU 44 HB1 LEU 44 50.432 8.127 -7.861 356 HG LEU 44 HG LEU 44 48.874 9.935 -7.703 357 HD11 LEU 44 HD11 LEU 44 48.968 10.921 -9.995 358 HD12 LEU 44 HD12 LEU 44 47.265 10.561 -9.546 359 HD13 LEU 44 HD13 LEU 44 48.148 9.465 -10.675 360 HD21 LEU 44 HD21 LEU 44 48.019 7.622 -7.311 361 HD22 LEU 44 HD22 LEU 44 47.464 7.531 -9.023 362 HD23 LEU 44 HD23 LEU 44 46.718 8.728 -7.897 363 H GLY 45 HN GLY 45 51.437 9.706 -6.795 364 HA2 GLY 45 HA2 GLY 45 53.043 11.596 -6.274 365 HA3 GLY 45 HA1 GLY 45 51.722 12.612 -6.982 366 H LYS 46 HN LYS 46 51.142 9.619 -5.171 367 HA LYS 46 HA LYS 46 49.723 11.139 -3.124 368 HB2 LYS 46 HB2 LYS 46 49.882 8.136 -3.628 369 HB3 LYS 46 HB1 LYS 46 48.848 8.951 -2.402 370 HG2 LYS 46 HG2 LYS 46 47.711 10.214 -4.320 371 HG3 LYS 46 HG1 LYS 46 48.700 9.248 -5.467 372 HD2 LYS 46 HD2 LYS 46 46.578 8.230 -5.439 373 HD3 LYS 46 HD1 LYS 46 47.648 7.136 -4.494 374 HE2 LYS 46 HE2 LYS 46 46.642 8.021 -2.356 375 HE3 LYS 46 HE1 LYS 46 45.659 9.208 -3.306 376 HZ1 LYS 46 HZ1 LYS 46 44.568 7.370 -4.386 377 HZ2 LYS 46 HZ2 LYS 46 44.405 7.268 -2.699 378 HZ3 LYS 46 HZ3 LYS 46 45.492 6.247 -3.510 379 H ILE 47 HN ILE 47 52.374 8.889 -3.745 380 HA ILE 47 HA ILE 47 53.750 9.679 -1.270 381 HB ILE 47 HB ILE 47 54.979 7.504 -1.512 382 HG12 ILE 47 HG12 ILE 47 52.540 6.838 -3.274 383 HG13 ILE 47 HG11 ILE 47 54.204 7.084 -3.886 384 HG21 ILE 47 HG21 ILE 47 51.968 7.227 -0.884 385 HG22 ILE 47 HG22 ILE 47 53.191 7.964 0.236 386 HG23 ILE 47 HG23 ILE 47 53.340 6.236 -0.261 387 HD11 ILE 47 HD1 ILE 47 55.008 5.241 -2.560 388 HD12 ILE 47 HD2 ILE 47 53.739 4.677 -3.705 389 HD13 ILE 47 HD3 ILE 47 53.366 4.848 -1.943 390 H LYS 48 HN LYS 48 56.180 9.609 -1.765 391 HA LYS 48 HA LYS 48 56.845 9.489 -4.580 392 HB2 LYS 48 HB2 LYS 48 57.755 11.815 -2.754 393 HB3 LYS 48 HB1 LYS 48 58.328 11.549 -4.430 394 HG2 LYS 48 HG2 LYS 48 56.040 11.986 -5.305 395 HG3 LYS 48 HG1 LYS 48 55.443 12.283 -3.634 396 HD2 LYS 48 HD2 LYS 48 57.647 13.906 -5.044 397 HD3 LYS 48 HD1 LYS 48 55.914 14.379 -4.907 398 HE2 LYS 48 HE2 LYS 48 56.134 14.401 -2.382 399 HE3 LYS 48 HE1 LYS 48 57.896 14.011 -2.555 400 HZ1 LYS 48 HZ1 LYS 48 58.166 16.041 -3.807 401 HZ2 LYS 48 HZ2 LYS 48 57.512 16.348 -2.269 402 HZ3 LYS 48 HZ3 LYS 48 56.516 16.408 -3.643 403 H ARG 49 HN ARG 49 59.332 9.376 -4.742 404 HA ARG 49 HA ARG 49 60.676 8.813 -2.249 405 HB2 ARG 49 HB2 ARG 49 59.813 6.559 -2.867 406 HB3 ARG 49 HB1 ARG 49 60.604 6.685 -4.470 407 HG2 ARG 49 HG2 ARG 49 62.342 7.128 -2.023 408 HG3 ARG 49 HG1 ARG 49 61.684 5.482 -2.250 409 HD2 ARG 49 HD2 ARG 49 62.724 5.334 -4.525 410 HD3 ARG 49 HD1 ARG 49 63.374 7.020 -4.344 411 HE ARG 49 HE ARG 49 64.139 5.288 -2.105 412 HH11 ARG 49 HH11 ARG 49 66.327 4.484 -2.019 413 HH12 ARG 49 HH12 ARG 49 67.350 4.579 -3.414 414 HH21 ARG 49 HH21 ARG 49 64.918 6.120 -5.498 415 HH22 ARG 49 HH22 ARG 49 66.540 5.520 -5.413 416 H ILE 50 HN ILE 50 62.902 9.399 -2.505 417 HA ILE 50 HA ILE 50 63.890 9.856 -5.163 418 HB ILE 50 HB ILE 50 62.633 11.892 -4.878 419 HG12 ILE 50 HG12 ILE 50 65.631 12.503 -4.557 420 HG13 ILE 50 HG11 ILE 50 64.907 11.776 -6.033 421 HG21 ILE 50 HG21 ILE 50 62.582 11.941 -2.352 422 HG22 ILE 50 HG22 ILE 50 63.063 13.512 -3.079 423 HG23 ILE 50 HG23 ILE 50 64.313 12.446 -2.349 424 HD11 ILE 50 HD1 ILE 50 63.382 13.736 -6.277 425 HD12 ILE 50 HD2 ILE 50 65.120 14.223 -6.323 426 HD13 ILE 50 HD3 ILE 50 64.143 14.522 -4.838 427 H ASN 51 HN ASN 51 64.213 10.039 -1.606 428 HA ASN 51 HA ASN 51 67.052 10.374 -1.782 429 HB2 ASN 51 HB2 ASN 51 65.187 9.996 0.652 430 HB3 ASN 51 HB1 ASN 51 66.944 10.413 0.730 431 HD21 ASN 51 HD21 ASN 51 66.457 13.776 -0.649 432 HD22 ASN 51 HD22 ASN 51 67.509 12.412 -0.825 433 H HIS 52 HN HIS 52 65.794 8.267 0.716 434 HA HIS 52 HA HIS 52 67.190 5.965 -0.487 435 HB2 HIS 52 HB2 HIS 52 66.785 6.741 2.468 436 HB3 HIS 52 HB1 HIS 52 67.537 5.208 1.891 437 HD1 HIS 52 HD1 HIS 52 69.222 6.858 3.681 438 HD2 HIS 52 HD2 HIS 52 69.217 7.482 -0.471 439 HE1 HIS 52 HE1 HIS 52 71.410 7.987 3.084 440 HE2 HIS 52 HE2 HIS 52 71.368 8.341 0.576 441 H ILE 53 HN ILE 53 64.419 7.343 1.284 442 HA ILE 53 HA ILE 53 62.958 4.806 1.040 443 HB ILE 53 HB ILE 53 61.927 5.284 3.217 444 HG12 ILE 53 HG12 ILE 53 64.248 7.289 3.615 445 HG13 ILE 53 HG11 ILE 53 62.548 7.764 3.265 446 HG21 ILE 53 HG21 ILE 53 63.809 4.307 4.496 447 HG22 ILE 53 HG22 ILE 53 64.978 4.819 3.232 448 HG23 ILE 53 HG23 ILE 53 63.717 3.586 2.852 449 HD11 ILE 53 HD1 ILE 53 61.808 6.410 5.259 450 HD12 ILE 53 HD2 ILE 53 62.808 7.863 5.674 451 HD13 ILE 53 HD3 ILE 53 63.536 6.212 5.737 452 H VAL 54 HN VAL 54 60.569 5.303 1.567 453 HA VAL 54 HA VAL 54 59.713 7.188 -0.357 454 HB VAL 54 HB VAL 54 58.683 4.949 0.001 455 HG11 VAL 54 HG11 VAL 54 58.775 4.939 2.538 456 HG12 VAL 54 HG12 VAL 54 57.157 4.521 1.872 457 HG13 VAL 54 HG13 VAL 54 57.441 6.154 2.563 458 HG21 VAL 54 HG21 VAL 54 57.450 6.616 -1.263 459 HG22 VAL 54 HG22 VAL 54 56.753 7.326 0.250 460 HG23 VAL 54 HG23 VAL 54 56.321 5.654 -0.253 461 H VAL 55 HN VAL 55 58.682 9.158 0.006 462 HA VAL 55 HA VAL 55 58.436 10.061 2.792 463 HB VAL 55 HB VAL 55 58.489 12.377 1.922 464 HG11 VAL 55 HG11 VAL 55 61.007 10.689 1.292 465 HG12 VAL 55 HG12 VAL 55 60.500 11.268 2.924 466 HG13 VAL 55 HG13 VAL 55 60.961 12.455 1.647 467 HG21 VAL 55 HG21 VAL 55 59.396 12.821 -0.370 468 HG22 VAL 55 HG22 VAL 55 57.828 11.955 -0.467 469 HG23 VAL 55 HG23 VAL 55 59.373 11.064 -0.748 470 H LEU 56 HN LEU 56 56.379 10.936 3.314 471 HA LEU 56 HA LEU 56 54.229 10.126 1.532 472 HB2 LEU 56 HB2 LEU 56 54.308 11.533 4.258 473 HB3 LEU 56 HB1 LEU 56 52.778 11.228 3.371 474 HG LEU 56 HG LEU 56 54.668 8.939 4.131 475 HD11 LEU 56 HD11 LEU 56 53.258 8.610 6.180 476 HD12 LEU 56 HD12 LEU 56 52.385 10.144 5.826 477 HD13 LEU 56 HD13 LEU 56 54.146 10.177 6.220 478 HD21 LEU 56 HD21 LEU 56 51.653 9.028 3.505 479 HD22 LEU 56 HD22 LEU 56 52.572 7.580 4.054 480 HD23 LEU 56 HD23 LEU 56 52.955 8.340 2.460 481 H ALA 57 HN ALA 57 52.713 11.715 0.670 482 HA ALA 57 HA ALA 57 53.937 14.225 -0.015 483 HB1 ALA 57 HB1 ALA 57 52.492 13.096 -1.692 484 HB2 ALA 57 HB2 ALA 57 51.811 14.698 -1.237 485 HB3 ALA 57 HB3 ALA 57 51.094 13.183 -0.563 486 H HIS 58 HN HIS 58 54.125 15.665 1.620 487 HA HIS 58 HA HIS 58 52.113 15.797 3.700 488 HB2 HIS 58 HB2 HIS 58 54.527 15.769 4.339 489 HB3 HIS 58 HB1 HIS 58 54.812 17.234 3.347 490 HD1 HIS 58 HD1 HIS 58 52.499 16.226 6.252 491 HD2 HIS 58 HD2 HIS 58 54.648 19.549 4.852 492 HE1 HIS 58 HE1 HIS 58 52.197 18.086 7.945 493 HE2 HIS 58 HE2 HIS 58 53.500 20.072 7.061 494 H HIS 59 HN HIS 59 53.832 17.980 1.377 495 HA HIS 59 HA HIS 59 51.817 20.015 1.633 496 HB2 HIS 59 HB2 HIS 59 54.204 20.638 1.220 497 HB3 HIS 59 HB1 HIS 59 54.180 19.706 -0.312 498 HD1 HIS 59 HD1 HIS 59 52.149 22.581 1.242 499 HD2 HIS 59 HD2 HIS 59 53.587 21.303 -2.489 500 HE1 HIS 59 HE1 HIS 59 51.512 24.350 -0.458 501 HE2 HIS 59 HE2 HIS 59 52.388 23.536 -2.692 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 41.363 -17.987 -4.308 2 H2 MET 1 HT2 MET 1 42.581 -17.933 -3.125 3 H3 MET 1 HT3 MET 1 41.722 -19.372 -3.393 4 HA MET 1 HA MET 1 42.617 -19.567 -5.572 5 HB2 MET 1 HB2 MET 1 44.169 -17.012 -4.823 6 HB3 MET 1 HB1 MET 1 44.562 -18.047 -6.240 7 HG2 MET 1 HG2 MET 1 42.328 -17.664 -7.193 8 HG3 MET 1 HG1 MET 1 41.868 -16.633 -5.802 9 HE1 MET 1 HE1 MET 1 42.653 -14.306 -5.291 10 HE2 MET 1 HE2 MET 1 43.942 -13.398 -6.152 11 HE3 MET 1 HE3 MET 1 44.370 -14.821 -5.148 12 H LEU 2 HN LEU 2 44.976 -18.076 -3.266 13 HA LEU 2 HA LEU 2 46.531 -20.504 -3.353 14 HB2 LEU 2 HB2 LEU 2 47.234 -17.847 -3.405 15 HB3 LEU 2 HB1 LEU 2 47.351 -18.130 -1.652 16 HG LEU 2 HG LEU 2 48.883 -20.157 -2.253 17 HD11 LEU 2 HD11 LEU 2 50.003 -20.066 -4.502 18 HD12 LEU 2 HD12 LEU 2 48.866 -18.760 -5.011 19 HD13 LEU 2 HD13 LEU 2 48.242 -20.410 -4.658 20 HD21 LEU 2 HD21 LEU 2 50.890 -18.718 -2.555 21 HD22 LEU 2 HD22 LEU 2 49.755 -18.015 -1.342 22 HD23 LEU 2 HD23 LEU 2 49.838 -17.322 -3.006 23 H LYS 3 HN LYS 3 47.717 -20.473 -0.807 24 HA LYS 3 HA LYS 3 45.622 -21.597 0.825 25 HB2 LYS 3 HB2 LYS 3 47.862 -22.665 0.625 26 HB3 LYS 3 HB1 LYS 3 48.564 -21.266 1.485 27 HG2 LYS 3 HG2 LYS 3 46.702 -21.796 3.331 28 HG3 LYS 3 HG1 LYS 3 46.554 -23.372 2.486 29 HD2 LYS 3 HD2 LYS 3 49.011 -23.723 2.805 30 HD3 LYS 3 HD1 LYS 3 49.117 -22.107 3.613 31 HE2 LYS 3 HE2 LYS 3 47.576 -22.904 5.438 32 HE3 LYS 3 HE1 LYS 3 47.492 -24.536 4.655 33 HZ1 LYS 3 HZ1 LYS 3 49.943 -23.209 5.696 34 HZ2 LYS 3 HZ2 LYS 3 49.868 -24.740 4.964 35 HZ3 LYS 3 HZ3 LYS 3 49.078 -24.466 6.442 36 H ASP 4 HN ASP 4 48.290 -19.306 1.521 37 HA ASP 4 HA ASP 4 48.535 -17.536 2.699 38 HB2 ASP 4 HB2 ASP 4 45.505 -17.062 2.703 39 HB3 ASP 4 HB1 ASP 4 46.739 -15.902 3.305 40 H TYR 5 HN TYR 5 47.351 -16.520 5.043 41 HA TYR 5 HA TYR 5 47.166 -18.902 6.768 42 HB2 TYR 5 HB2 TYR 5 48.918 -16.464 7.303 43 HB3 TYR 5 HB1 TYR 5 48.702 -17.888 8.403 44 HD1 TYR 5 HD1 TYR 5 49.128 -20.260 7.109 45 HD2 TYR 5 HD2 TYR 5 50.837 -16.469 6.002 46 HE1 TYR 5 HE1 TYR 5 50.939 -21.426 5.924 47 HE2 TYR 5 HE2 TYR 5 52.654 -17.637 4.812 48 HH TYR 5 HH TYR 5 53.535 -19.622 4.214 49 H HIS 6 HN HIS 6 47.385 -16.526 8.815 50 HA HIS 6 HA HIS 6 44.579 -15.978 9.018 51 HB2 HIS 6 HB2 HIS 6 47.019 -15.007 10.556 52 HB3 HIS 6 HB1 HIS 6 45.334 -14.559 10.980 53 HD1 HIS 6 HD1 HIS 6 46.641 -15.898 13.188 54 HD2 HIS 6 HD2 HIS 6 44.954 -18.192 10.103 55 HE1 HIS 6 HE1 HIS 6 46.215 -18.216 14.118 56 HE2 HIS 6 HE2 HIS 6 45.195 -19.564 12.230 57 H LEU 7 HN LEU 7 47.160 -14.705 7.197 58 HA LEU 7 HA LEU 7 46.639 -11.956 7.454 59 HB2 LEU 7 HB2 LEU 7 47.901 -13.476 5.084 60 HB3 LEU 7 HB1 LEU 7 48.049 -11.712 5.402 61 HG LEU 7 HG LEU 7 49.152 -13.983 7.175 62 HD11 LEU 7 HD11 LEU 7 51.390 -13.316 6.339 63 HD12 LEU 7 HD12 LEU 7 50.636 -12.095 5.244 64 HD13 LEU 7 HD13 LEU 7 50.319 -13.853 4.991 65 HD21 LEU 7 HD21 LEU 7 49.561 -10.930 7.395 66 HD22 LEU 7 HD22 LEU 7 50.430 -12.184 8.357 67 HD23 LEU 7 HD23 LEU 7 48.654 -11.977 8.553 68 H LYS 8 HN LYS 8 45.281 -10.627 6.262 69 HA LYS 8 HA LYS 8 43.116 -11.949 4.940 70 HB2 LYS 8 HB2 LYS 8 42.790 -10.009 6.528 71 HB3 LYS 8 HB1 LYS 8 43.710 -8.970 5.401 72 HG2 LYS 8 HG2 LYS 8 41.414 -8.458 5.185 73 HG3 LYS 8 HG1 LYS 8 41.865 -9.287 3.668 74 HD2 LYS 8 HD2 LYS 8 40.546 -10.799 6.007 75 HD3 LYS 8 HD1 LYS 8 39.582 -9.765 4.898 76 HE2 LYS 8 HE2 LYS 8 40.323 -11.106 2.920 77 HE3 LYS 8 HE1 LYS 8 41.234 -12.222 4.013 78 HZ1 LYS 8 HZ1 LYS 8 39.174 -12.737 5.124 79 HZ2 LYS 8 HZ2 LYS 8 39.085 -13.071 3.461 80 HZ3 LYS 8 HZ3 LYS 8 38.314 -11.696 4.093 81 H GLU 9 HN GLU 9 42.644 -11.812 2.686 82 HA GLU 9 HA GLU 9 44.969 -11.352 1.049 83 HB2 GLU 9 HB2 GLU 9 43.523 -12.251 -0.800 84 HB3 GLU 9 HB1 GLU 9 43.765 -13.385 0.566 85 HG2 GLU 9 HG2 GLU 9 41.532 -12.935 1.473 86 HG3 GLU 9 HG1 GLU 9 41.256 -11.614 0.281 87 H MET 10 HN MET 10 44.626 -10.105 -1.055 88 HA MET 10 HA MET 10 42.949 -7.729 -0.531 89 HB2 MET 10 HB2 MET 10 45.658 -7.944 -1.913 90 HB3 MET 10 HB1 MET 10 44.595 -6.488 -1.941 91 HG2 MET 10 HG2 MET 10 44.739 -6.299 0.523 92 HG3 MET 10 HG1 MET 10 45.680 -7.815 0.603 93 HE1 MET 10 HE1 MET 10 45.704 -3.915 -0.179 94 HE2 MET 10 HE2 MET 10 45.663 -4.687 -1.804 95 HE3 MET 10 HE3 MET 10 47.094 -3.761 -1.290 96 HA PRO 11 HA PRO 11 41.590 -9.452 -4.531 97 HB2 PRO 11 HB2 PRO 11 38.848 -9.038 -4.191 98 HB3 PRO 11 HB1 PRO 11 39.717 -10.502 -3.589 99 HG2 PRO 11 HG1 PRO 11 38.935 -8.007 -2.011 100 HG3 PRO 11 HG2 PRO 11 38.766 -9.747 -1.530 101 HD2 PRO 11 HD1 PRO 11 40.885 -8.121 -0.704 102 HD3 PRO 11 HD2 PRO 11 41.125 -9.885 -0.984 103 H GLU 12 HN GLU 12 40.562 -6.512 -2.688 104 HA GLU 12 HA GLU 12 41.671 -4.879 -4.669 105 HB2 GLU 12 HB2 GLU 12 39.344 -5.334 -5.703 106 HB3 GLU 12 HB1 GLU 12 38.620 -4.501 -4.303 107 HG2 GLU 12 HG2 GLU 12 40.673 -3.298 -6.300 108 HG3 GLU 12 HG1 GLU 12 38.889 -3.098 -6.420 109 H MET 13 HN MET 13 42.886 -3.997 -3.035 110 HA MET 13 HA MET 13 41.476 -2.320 -1.128 111 HB2 MET 13 HB2 MET 13 43.576 -4.359 -0.311 112 HB3 MET 13 HB1 MET 13 43.213 -2.879 0.647 113 HG2 MET 13 HG2 MET 13 41.236 -5.130 -0.037 114 HG3 MET 13 HG1 MET 13 42.084 -4.843 1.507 115 HE1 MET 13 HE1 MET 13 38.998 -5.332 1.068 116 HE2 MET 13 HE2 MET 13 38.331 -4.224 2.317 117 HE3 MET 13 HE3 MET 13 39.816 -5.175 2.662 118 H GLU 14 HN GLU 14 42.949 -0.480 -0.526 119 HA GLU 14 HA GLU 14 45.474 -0.287 -1.863 120 HB2 GLU 14 HB2 GLU 14 44.853 1.546 -3.413 121 HB3 GLU 14 HB1 GLU 14 43.856 0.099 -3.779 122 HG2 GLU 14 HG2 GLU 14 41.896 1.060 -2.599 123 HG3 GLU 14 HG1 GLU 14 42.845 2.515 -2.127 124 H ASP 15 HN ASP 15 42.907 0.899 0.150 125 HA ASP 15 HA ASP 15 44.404 3.261 0.886 126 HB2 ASP 15 HB2 ASP 15 42.671 3.875 2.362 127 HB3 ASP 15 HB1 ASP 15 41.942 3.412 0.795 128 H GLU 16 HN GLU 16 44.137 -0.060 1.769 129 HA GLU 16 HA GLU 16 45.284 -0.130 4.295 130 HB2 GLU 16 HB2 GLU 16 44.295 -2.101 3.147 131 HB3 GLU 16 HB1 GLU 16 45.533 -1.987 1.852 132 HG2 GLU 16 HG2 GLU 16 47.337 -2.527 3.543 133 HG3 GLU 16 HG1 GLU 16 46.076 -2.670 4.823 134 H PHE 17 HN PHE 17 46.699 0.025 0.976 135 HA PHE 17 HA PHE 17 49.373 -0.014 1.684 136 HB2 PHE 17 HB2 PHE 17 48.584 -0.401 -0.639 137 HB3 PHE 17 HB1 PHE 17 47.940 1.264 -0.719 138 HD1 PHE 17 HD1 PHE 17 51.110 -0.706 -0.475 139 HD2 PHE 17 HD2 PHE 17 49.297 3.098 -1.262 140 HE1 PHE 17 HE1 PHE 17 53.258 0.123 -1.390 141 HE2 PHE 17 HE2 PHE 17 51.465 3.950 -2.105 142 HZ PHE 17 HZ PHE 17 53.459 2.489 -2.087 143 H LEU 18 HN LEU 18 47.021 2.697 1.481 144 HA LEU 18 HA LEU 18 48.960 4.725 1.626 145 HB2 LEU 18 HB2 LEU 18 45.930 4.570 1.919 146 HB3 LEU 18 HB1 LEU 18 46.744 6.117 2.210 147 HG LEU 18 HG LEU 18 46.999 4.466 -0.375 148 HD11 LEU 18 HD11 LEU 18 45.471 6.113 -1.433 149 HD12 LEU 18 HD12 LEU 18 45.248 6.950 0.150 150 HD13 LEU 18 HD13 LEU 18 44.659 5.259 -0.070 151 HD21 LEU 18 HD21 LEU 18 47.927 6.552 -1.391 152 HD22 LEU 18 HD22 LEU 18 48.966 5.960 -0.057 153 HD23 LEU 18 HD23 LEU 18 47.872 7.369 0.215 154 H GLU 19 HN GLU 19 47.492 2.762 4.154 155 HA GLU 19 HA GLU 19 48.089 4.775 6.198 156 HB2 GLU 19 HB2 GLU 19 46.880 1.950 6.354 157 HB3 GLU 19 HB1 GLU 19 47.146 3.045 7.765 158 HG2 GLU 19 HG2 GLU 19 45.635 4.749 6.716 159 HG3 GLU 19 HG1 GLU 19 45.293 3.631 5.362 160 H TYR 20 HN TYR 20 49.345 1.909 4.666 161 HA TYR 20 HA TYR 20 51.104 1.062 6.753 162 HB2 TYR 20 HB2 TYR 20 50.697 0.511 3.754 163 HB3 TYR 20 HB1 TYR 20 52.119 -0.128 4.520 164 HD1 TYR 20 HD1 TYR 20 51.854 -2.380 4.463 165 HD2 TYR 20 HD2 TYR 20 48.772 -0.015 6.273 166 HE1 TYR 20 HE1 TYR 20 50.758 -4.443 5.267 167 HE2 TYR 20 HE2 TYR 20 47.680 -2.058 7.106 168 HH TYR 20 HH TYR 20 47.708 -4.311 7.169 169 H CYS 21 HN CYS 21 51.094 3.259 4.088 170 HA CYS 21 HA CYS 21 53.857 3.256 3.687 171 HB2 CYS 21 HB2 CYS 21 51.678 5.191 2.770 172 HB3 CYS 21 HB1 CYS 21 53.397 5.590 2.465 173 HG CYS 21 HG1 CYS 21 54.059 3.465 1.257 174 H ALA 22 HN ALA 22 52.042 4.550 6.216 175 HA ALA 22 HA ALA 22 53.509 6.871 6.870 176 HB1 ALA 22 HB1 ALA 22 51.186 6.390 7.696 177 HB2 ALA 22 HB2 ALA 22 52.333 6.659 9.064 178 HB3 ALA 22 HB3 ALA 22 51.817 4.982 8.622 179 H LYS 23 HN LYS 23 54.255 3.523 6.932 180 HA LYS 23 HA LYS 23 56.458 3.837 8.806 181 HB2 LYS 23 HB2 LYS 23 55.149 1.649 8.839 182 HB3 LYS 23 HB1 LYS 23 55.610 1.400 7.131 183 HG2 LYS 23 HG2 LYS 23 58.105 1.603 7.994 184 HG3 LYS 23 HG1 LYS 23 57.398 1.485 9.637 185 HD2 LYS 23 HD2 LYS 23 58.148 -0.704 9.014 186 HD3 LYS 23 HD1 LYS 23 56.350 -0.746 8.925 187 HE2 LYS 23 HE2 LYS 23 56.485 -0.522 6.405 188 HE3 LYS 23 HE1 LYS 23 58.288 -0.409 6.518 189 HZ1 LYS 23 HZ1 LYS 23 58.317 -2.613 7.455 190 HZ2 LYS 23 HZ2 LYS 23 57.543 -2.603 5.945 191 HZ3 LYS 23 HZ3 LYS 23 56.624 -2.721 7.369 192 H ASN 24 HN ASN 24 57.305 5.509 7.551 193 HA ASN 24 HA ASN 24 58.020 5.319 4.881 194 HB2 ASN 24 HB2 ASN 24 59.282 7.105 7.041 195 HB3 ASN 24 HB1 ASN 24 59.458 7.317 5.267 196 HD21 ASN 24 HD21 ASN 24 55.943 8.302 4.794 197 HD22 ASN 24 HD22 ASN 24 57.166 7.315 4.065 198 HA PRO 25 HA PRO 25 62.403 3.898 6.176 199 HB2 PRO 25 HB2 PRO 25 62.468 2.279 8.555 200 HB3 PRO 25 HB1 PRO 25 63.047 3.997 8.437 201 HG2 PRO 25 HG1 PRO 25 60.316 2.965 9.356 202 HG3 PRO 25 HG2 PRO 25 61.346 4.250 10.118 203 HD2 PRO 25 HD1 PRO 25 59.249 4.947 8.518 204 HD3 PRO 25 HD2 PRO 25 60.835 5.811 8.304 205 H SER 26 HN SER 26 63.091 1.926 5.278 206 HA SER 26 HA SER 26 62.914 0.038 4.276 207 HB2 SER 26 HB2 SER 26 61.283 -0.742 6.744 208 HB3 SER 26 HB1 SER 26 61.758 -1.928 5.447 209 HG SER 26 HG1 SER 26 63.199 -1.869 7.169 210 H TYR 27 HN TYR 27 61.767 1.633 2.872 211 HA TYR 27 HA TYR 27 58.976 1.496 2.586 212 HB2 TYR 27 HB2 TYR 27 59.195 2.986 0.812 213 HB3 TYR 27 HB1 TYR 27 60.523 3.473 1.929 214 HD1 TYR 27 HD1 TYR 27 62.802 1.766 1.206 215 HD2 TYR 27 HD2 TYR 27 59.746 3.395 -1.350 216 HE1 TYR 27 HE1 TYR 27 64.254 1.426 -0.748 217 HE2 TYR 27 HE2 TYR 27 61.170 3.014 -3.300 218 HH TYR 27 HH TYR 27 64.468 1.603 -2.988 219 H GLU 28 HN GLU 28 61.658 -0.255 1.503 220 HA GLU 28 HA GLU 28 60.860 -1.495 -0.820 221 HB2 GLU 28 HB2 GLU 28 62.587 -3.303 0.083 222 HB3 GLU 28 HB1 GLU 28 63.149 -1.666 -0.379 223 HG2 GLU 28 HG2 GLU 28 63.259 -0.887 1.916 224 HG3 GLU 28 HG1 GLU 28 62.483 -2.374 2.555 225 H GLU 29 HN GLU 29 60.207 -2.279 2.644 226 HA GLU 29 HA GLU 29 59.078 -4.818 2.004 227 HB2 GLU 29 HB2 GLU 29 58.894 -3.070 4.506 228 HB3 GLU 29 HB1 GLU 29 58.213 -4.735 4.373 229 HG2 GLU 29 HG2 GLU 29 60.479 -5.658 3.890 230 HG3 GLU 29 HG1 GLU 29 61.203 -4.018 4.026 231 H ALA 30 HN ALA 30 57.857 -1.459 2.245 232 HA ALA 30 HA ALA 30 55.111 -2.311 2.233 233 HB1 ALA 30 HB1 ALA 30 54.594 0.125 2.040 234 HB2 ALA 30 HB2 ALA 30 56.347 0.478 1.785 235 HB3 ALA 30 HB3 ALA 30 55.776 -0.172 3.364 236 H TYR 31 HN TYR 31 57.586 -1.914 -0.151 237 HA TYR 31 HA TYR 31 55.766 -1.384 -2.356 238 HB2 TYR 31 HB2 TYR 31 57.969 -0.325 -2.572 239 HB3 TYR 31 HB1 TYR 31 58.758 -1.738 -1.921 240 HD1 TYR 31 HD1 TYR 31 56.317 -1.836 -4.756 241 HD2 TYR 31 HD2 TYR 31 60.432 -1.942 -3.574 242 HE1 TYR 31 HE1 TYR 31 56.915 -2.704 -6.986 243 HE2 TYR 31 HE2 TYR 31 61.065 -2.730 -5.825 244 HH TYR 31 HH TYR 31 58.586 -3.349 -8.358 245 H LEU 32 HN LEU 32 58.093 -3.929 -1.337 246 HA LEU 32 HA LEU 32 57.396 -5.615 -3.420 247 HB2 LEU 32 HB2 LEU 32 58.913 -6.074 -0.801 248 HB3 LEU 32 HB1 LEU 32 58.875 -7.271 -2.131 249 HG LEU 32 HG LEU 32 59.847 -4.362 -2.505 250 HD11 LEU 32 HD11 LEU 32 61.576 -6.843 -1.856 251 HD12 LEU 32 HD12 LEU 32 61.235 -5.475 -0.732 252 HD13 LEU 32 HD13 LEU 32 62.176 -5.185 -2.242 253 HD21 LEU 32 HD21 LEU 32 60.321 -6.904 -4.194 254 HD22 LEU 32 HD22 LEU 32 61.036 -5.276 -4.499 255 HD23 LEU 32 HD23 LEU 32 59.257 -5.511 -4.625 256 H LYS 33 HN LYS 33 56.135 -5.413 -0.140 257 HA LYS 33 HA LYS 33 54.934 -7.941 0.040 258 HB2 LYS 33 HB2 LYS 33 55.196 -6.379 2.001 259 HB3 LYS 33 HB1 LYS 33 54.058 -5.248 1.257 260 HG2 LYS 33 HG2 LYS 33 52.914 -8.005 1.601 261 HG3 LYS 33 HG1 LYS 33 53.490 -7.265 3.136 262 HD2 LYS 33 HD2 LYS 33 52.131 -5.276 2.734 263 HD3 LYS 33 HD1 LYS 33 51.670 -5.876 1.103 264 HE2 LYS 33 HE2 LYS 33 50.873 -7.140 3.813 265 HE3 LYS 33 HE1 LYS 33 49.817 -6.200 2.688 266 HZ1 LYS 33 HZ1 LYS 33 49.476 -8.545 2.462 267 HZ2 LYS 33 HZ2 LYS 33 51.110 -8.794 2.067 268 HZ3 LYS 33 HZ3 LYS 33 50.113 -7.890 1.031 269 H PHE 34 HN PHE 34 53.798 -4.768 -1.191 270 HA PHE 34 HA PHE 34 51.225 -5.766 -1.985 271 HB2 PHE 34 HB2 PHE 34 52.676 -3.054 -2.330 272 HB3 PHE 34 HB1 PHE 34 51.051 -3.386 -3.014 273 HD1 PHE 34 HD1 PHE 34 52.996 -3.372 0.193 274 HD2 PHE 34 HD2 PHE 34 49.131 -3.213 -1.648 275 HE1 PHE 34 HE1 PHE 34 51.997 -2.911 2.380 276 HE2 PHE 34 HE2 PHE 34 48.109 -2.709 0.565 277 HZ PHE 34 HZ PHE 34 49.537 -2.543 2.578 278 H GLY 35 HN GLY 35 53.412 -3.789 -4.004 279 HA2 GLY 35 HA2 GLY 35 54.727 -5.371 -5.525 280 HA3 GLY 35 HA1 GLY 35 53.081 -5.572 -6.255 281 H ASP 36 HN ASP 36 52.656 -4.231 -7.874 282 HA ASP 36 HA ASP 36 54.375 -2.054 -8.411 283 HB2 ASP 36 HB2 ASP 36 51.744 -2.834 -9.782 284 HB3 ASP 36 HB1 ASP 36 52.997 -1.724 -10.453 285 H LYS 37 HN LYS 37 52.035 -2.166 -6.130 286 HA LYS 37 HA LYS 37 50.402 0.017 -6.617 287 HB2 LYS 37 HB2 LYS 37 49.995 -1.878 -4.978 288 HB3 LYS 37 HB1 LYS 37 51.212 -1.172 -3.943 289 HG2 LYS 37 HG2 LYS 37 49.065 -0.525 -3.099 290 HG3 LYS 37 HG1 LYS 37 49.918 0.940 -3.693 291 HD2 LYS 37 HD2 LYS 37 47.548 1.018 -4.304 292 HD3 LYS 37 HD1 LYS 37 48.612 0.977 -5.744 293 HE2 LYS 37 HE2 LYS 37 46.821 -0.470 -6.179 294 HE3 LYS 37 HE1 LYS 37 48.167 -1.589 -5.909 295 HZ1 LYS 37 HZ1 LYS 37 46.206 -2.330 -4.784 296 HZ2 LYS 37 HZ2 LYS 37 46.059 -0.868 -3.936 297 HZ3 LYS 37 HZ3 LYS 37 47.379 -1.894 -3.636 298 H LEU 38 HN LEU 38 53.608 -0.312 -5.012 299 HA LEU 38 HA LEU 38 53.577 2.443 -4.131 300 HB2 LEU 38 HB2 LEU 38 54.832 0.544 -2.846 301 HB3 LEU 38 HB1 LEU 38 55.932 0.436 -4.180 302 HG LEU 38 HG LEU 38 55.574 3.211 -3.072 303 HD11 LEU 38 HD11 LEU 38 55.378 1.929 -0.956 304 HD12 LEU 38 HD12 LEU 38 56.925 2.849 -1.034 305 HD13 LEU 38 HD13 LEU 38 56.918 1.071 -1.312 306 HD21 LEU 38 HD21 LEU 38 58.071 1.504 -3.655 307 HD22 LEU 38 HD22 LEU 38 58.056 3.267 -3.249 308 HD23 LEU 38 HD23 LEU 38 57.301 2.684 -4.782 309 H LEU 39 HN LEU 39 54.602 0.698 -7.021 310 HA LEU 39 HA LEU 39 56.358 2.716 -7.921 311 HB2 LEU 39 HB2 LEU 39 54.812 0.605 -9.513 312 HB3 LEU 39 HB1 LEU 39 56.157 1.612 -10.139 313 HG LEU 39 HG LEU 39 56.306 -0.480 -7.886 314 HD11 LEU 39 HD11 LEU 39 57.661 -1.790 -9.496 315 HD12 LEU 39 HD12 LEU 39 57.479 -0.486 -10.733 316 HD13 LEU 39 HD13 LEU 39 56.034 -1.413 -10.181 317 HD21 LEU 39 HD21 LEU 39 57.954 1.293 -7.365 318 HD22 LEU 39 HD22 LEU 39 58.570 1.262 -9.063 319 HD23 LEU 39 HD23 LEU 39 58.804 -0.163 -7.984 320 H GLU 40 HN GLU 40 52.888 1.988 -8.586 321 HA GLU 40 HA GLU 40 52.619 4.046 -10.500 322 HB2 GLU 40 HB2 GLU 40 50.164 3.612 -10.298 323 HB3 GLU 40 HB1 GLU 40 51.131 2.119 -10.598 324 HG2 GLU 40 HG2 GLU 40 50.997 1.647 -8.088 325 HG3 GLU 40 HG1 GLU 40 49.936 3.058 -7.909 326 H TYR 41 HN TYR 41 52.062 3.908 -6.969 327 HA TYR 41 HA TYR 41 50.615 6.382 -6.893 328 HB2 TYR 41 HB2 TYR 41 51.681 4.314 -4.905 329 HB3 TYR 41 HB1 TYR 41 51.293 5.894 -4.264 330 HD1 TYR 41 HD1 TYR 41 49.637 4.906 -2.834 331 HD2 TYR 41 HD2 TYR 41 49.093 4.792 -7.113 332 HE1 TYR 41 HE1 TYR 41 47.287 4.244 -2.540 333 HE2 TYR 41 HE2 TYR 41 46.767 4.183 -6.805 334 HH TYR 41 HH TYR 41 45.335 3.748 -3.541 335 H GLU 42 HN GLU 42 53.928 5.441 -6.969 336 HA GLU 42 HA GLU 42 54.996 7.835 -5.775 337 HB2 GLU 42 HB2 GLU 42 56.216 5.683 -5.750 338 HB3 GLU 42 HB1 GLU 42 56.259 5.670 -7.548 339 HG2 GLU 42 HG2 GLU 42 57.691 7.813 -7.428 340 HG3 GLU 42 HG1 GLU 42 57.704 7.620 -5.633 341 H LEU 43 HN LEU 43 54.395 6.534 -9.049 342 HA LEU 43 HA LEU 43 55.407 8.776 -10.454 343 HB2 LEU 43 HB2 LEU 43 53.609 6.392 -11.162 344 HB3 LEU 43 HB1 LEU 43 54.090 7.591 -12.396 345 HG LEU 43 HG LEU 43 56.088 5.947 -10.736 346 HD11 LEU 43 HD11 LEU 43 56.359 4.495 -12.733 347 HD12 LEU 43 HD12 LEU 43 55.048 5.396 -13.586 348 HD13 LEU 43 HD13 LEU 43 54.669 4.435 -12.106 349 HD21 LEU 43 HD21 LEU 43 57.731 6.585 -12.505 350 HD22 LEU 43 HD22 LEU 43 57.090 8.030 -11.647 351 HD23 LEU 43 HD23 LEU 43 56.485 7.620 -13.297 352 H LEU 44 HN LEU 44 52.401 8.047 -8.838 353 HA LEU 44 HA LEU 44 50.761 9.798 -10.370 354 HB2 LEU 44 HB2 LEU 44 49.823 7.792 -9.410 355 HB3 LEU 44 HB1 LEU 44 50.387 8.270 -7.784 356 HG LEU 44 HG LEU 44 48.753 10.029 -7.627 357 HD11 LEU 44 HD11 LEU 44 47.913 9.363 -10.531 358 HD12 LEU 44 HD12 LEU 44 48.689 10.893 -9.970 359 HD13 LEU 44 HD13 LEU 44 47.030 10.472 -9.415 360 HD21 LEU 44 HD21 LEU 44 46.653 8.696 -7.686 361 HD22 LEU 44 HD22 LEU 44 48.036 7.728 -7.047 362 HD23 LEU 44 HD23 LEU 44 47.452 7.463 -8.732 363 H GLY 45 HN GLY 45 51.312 9.860 -6.770 364 HA2 GLY 45 HA2 GLY 45 52.821 11.829 -6.247 365 HA3 GLY 45 HA1 GLY 45 51.438 12.775 -6.936 366 H LYS 46 HN LYS 46 50.926 9.736 -5.210 367 HA LYS 46 HA LYS 46 49.458 11.116 -3.120 368 HB2 LYS 46 HB2 LYS 46 49.872 8.186 -3.801 369 HB3 LYS 46 HB1 LYS 46 49.029 8.751 -2.311 370 HG2 LYS 46 HG2 LYS 46 47.440 10.074 -3.705 371 HG3 LYS 46 HG1 LYS 46 48.185 9.409 -5.200 372 HD2 LYS 46 HD2 LYS 46 47.481 7.135 -4.601 373 HD3 LYS 46 HD1 LYS 46 46.952 7.682 -2.965 374 HE2 LYS 46 HE2 LYS 46 45.202 9.136 -3.975 375 HE3 LYS 46 HE1 LYS 46 45.691 8.601 -5.632 376 HZ1 LYS 46 HZ1 LYS 46 43.800 7.380 -4.827 377 HZ2 LYS 46 HZ2 LYS 46 44.654 6.853 -3.458 378 HZ3 LYS 46 HZ3 LYS 46 45.131 6.341 -5.005 379 H ILE 47 HN ILE 47 52.247 8.983 -3.678 380 HA ILE 47 HA ILE 47 53.546 9.794 -1.160 381 HB ILE 47 HB ILE 47 54.861 7.693 -1.438 382 HG12 ILE 47 HG12 ILE 47 52.608 7.063 -3.450 383 HG13 ILE 47 HG11 ILE 47 54.323 7.359 -3.869 384 HG21 ILE 47 HG21 ILE 47 51.829 7.299 -1.009 385 HG22 ILE 47 HG22 ILE 47 52.976 7.983 0.213 386 HG23 ILE 47 HG23 ILE 47 53.180 6.289 -0.370 387 HD11 ILE 47 HD1 ILE 47 55.008 5.450 -2.562 388 HD12 ILE 47 HD2 ILE 47 53.869 4.943 -3.861 389 HD13 ILE 47 HD3 ILE 47 53.317 5.018 -2.142 390 H LYS 48 HN LYS 48 56.034 9.680 -1.603 391 HA LYS 48 HA LYS 48 56.732 9.845 -4.399 392 HB2 LYS 48 HB2 LYS 48 57.700 11.927 -2.324 393 HB3 LYS 48 HB1 LYS 48 58.270 11.833 -4.018 394 HG2 LYS 48 HG2 LYS 48 55.999 12.426 -4.844 395 HG3 LYS 48 HG1 LYS 48 55.397 12.542 -3.153 396 HD2 LYS 48 HD2 LYS 48 57.625 14.286 -4.369 397 HD3 LYS 48 HD1 LYS 48 55.897 14.757 -4.168 398 HE2 LYS 48 HE2 LYS 48 56.128 14.462 -1.656 399 HE3 LYS 48 HE1 LYS 48 57.890 14.103 -1.891 400 HZ1 LYS 48 HZ1 LYS 48 57.499 16.387 -1.316 401 HZ2 LYS 48 HZ2 LYS 48 56.488 16.609 -2.661 402 HZ3 LYS 48 HZ3 LYS 48 58.138 16.276 -2.886 403 H ARG 49 HN ARG 49 59.171 9.634 -4.570 404 HA ARG 49 HA ARG 49 60.583 8.793 -2.233 405 HB2 ARG 49 HB2 ARG 49 59.447 6.658 -2.737 406 HB3 ARG 49 HB1 ARG 49 60.021 6.722 -4.425 407 HG2 ARG 49 HG2 ARG 49 62.073 6.866 -2.149 408 HG3 ARG 49 HG1 ARG 49 61.222 5.325 -2.424 409 HD2 ARG 49 HD2 ARG 49 62.956 6.790 -4.535 410 HD3 ARG 49 HD1 ARG 49 63.401 5.312 -3.580 411 HE ARG 49 HE ARG 49 60.870 4.990 -5.028 412 HH11 ARG 49 HH11 ARG 49 60.830 3.576 -6.864 413 HH12 ARG 49 HH12 ARG 49 62.305 3.086 -7.629 414 HH21 ARG 49 HH21 ARG 49 64.425 4.921 -5.437 415 HH22 ARG 49 HH22 ARG 49 64.376 3.864 -6.808 416 H ILE 50 HN ILE 50 62.779 9.273 -2.664 417 HA ILE 50 HA ILE 50 63.636 9.595 -5.376 418 HB ILE 50 HB ILE 50 62.444 11.702 -5.102 419 HG12 ILE 50 HG12 ILE 50 64.259 13.350 -5.441 420 HG13 ILE 50 HG11 ILE 50 65.485 12.159 -4.911 421 HG21 ILE 50 HG21 ILE 50 62.416 11.766 -2.590 422 HG22 ILE 50 HG22 ILE 50 62.948 13.320 -3.325 423 HG23 ILE 50 HG23 ILE 50 64.162 12.216 -2.594 424 HD11 ILE 50 HD1 ILE 50 65.330 12.356 -7.419 425 HD12 ILE 50 HD2 ILE 50 63.606 11.834 -7.353 426 HD13 ILE 50 HD3 ILE 50 64.918 10.692 -6.873 427 H ASN 51 HN ASN 51 64.122 9.898 -1.858 428 HA ASN 51 HA ASN 51 66.966 10.124 -2.151 429 HB2 ASN 51 HB2 ASN 51 65.172 9.882 0.352 430 HB3 ASN 51 HB1 ASN 51 66.949 10.204 0.363 431 HD21 ASN 51 HD21 ASN 51 64.455 13.326 0.131 432 HD22 ASN 51 HD22 ASN 51 64.052 11.750 0.727 433 H HIS 52 HN HIS 52 65.589 8.088 0.382 434 HA HIS 52 HA HIS 52 66.837 5.712 -0.843 435 HB2 HIS 52 HB2 HIS 52 66.630 6.516 2.124 436 HB3 HIS 52 HB1 HIS 52 67.252 4.937 1.518 437 HD1 HIS 52 HD1 HIS 52 69.084 6.568 3.235 438 HD2 HIS 52 HD2 HIS 52 69.009 6.987 -0.942 439 HE1 HIS 52 HE1 HIS 52 71.325 7.516 2.530 440 HE2 HIS 52 HE2 HIS 52 71.238 7.747 0.008 441 H ILE 53 HN ILE 53 64.232 7.224 1.118 442 HA ILE 53 HA ILE 53 62.702 4.722 0.982 443 HB ILE 53 HB ILE 53 61.756 5.268 3.161 444 HG12 ILE 53 HG12 ILE 53 64.069 7.297 3.440 445 HG13 ILE 53 HG11 ILE 53 62.363 7.756 3.100 446 HG21 ILE 53 HG21 ILE 53 63.670 4.345 4.419 447 HG22 ILE 53 HG22 ILE 53 64.809 4.828 3.113 448 HG23 ILE 53 HG23 ILE 53 63.551 3.573 2.801 449 HD11 ILE 53 HD1 ILE 53 61.640 6.497 5.149 450 HD12 ILE 53 HD2 ILE 53 62.676 7.941 5.501 451 HD13 ILE 53 HD3 ILE 53 63.372 6.278 5.607 452 H VAL 54 HN VAL 54 60.351 5.212 1.540 453 HA VAL 54 HA VAL 54 59.446 7.138 -0.346 454 HB VAL 54 HB VAL 54 58.526 4.790 -0.025 455 HG11 VAL 54 HG11 VAL 54 58.484 4.820 2.509 456 HG12 VAL 54 HG12 VAL 54 56.920 4.331 1.765 457 HG13 VAL 54 HG13 VAL 54 57.104 5.982 2.448 458 HG21 VAL 54 HG21 VAL 54 56.468 7.070 0.111 459 HG22 VAL 54 HG22 VAL 54 56.183 5.394 -0.469 460 HG23 VAL 54 HG23 VAL 54 57.315 6.464 -1.367 461 H VAL 55 HN VAL 55 57.973 8.902 0.216 462 HA VAL 55 HA VAL 55 57.745 9.545 3.059 463 HB VAL 55 HB VAL 55 57.786 11.963 2.498 464 HG11 VAL 55 HG11 VAL 55 60.259 12.138 2.410 465 HG12 VAL 55 HG12 VAL 55 60.393 10.435 1.838 466 HG13 VAL 55 HG13 VAL 55 59.760 10.784 3.491 467 HG21 VAL 55 HG21 VAL 55 57.287 11.810 0.034 468 HG22 VAL 55 HG22 VAL 55 58.884 11.014 -0.245 469 HG23 VAL 55 HG23 VAL 55 58.809 12.711 0.344 470 H LEU 56 HN LEU 56 55.697 10.688 3.472 471 HA LEU 56 HA LEU 56 53.631 10.033 1.508 472 HB2 LEU 56 HB2 LEU 56 53.510 11.380 4.263 473 HB3 LEU 56 HB1 LEU 56 52.072 11.046 3.244 474 HG LEU 56 HG LEU 56 53.950 8.847 4.285 475 HD11 LEU 56 HD11 LEU 56 51.367 9.952 5.569 476 HD12 LEU 56 HD12 LEU 56 53.040 10.093 6.229 477 HD13 LEU 56 HD13 LEU 56 52.251 8.476 6.101 478 HD21 LEU 56 HD21 LEU 56 52.551 8.097 2.396 479 HD22 LEU 56 HD22 LEU 56 51.066 8.748 3.192 480 HD23 LEU 56 HD23 LEU 56 51.954 7.368 3.935 481 H ALA 57 HN ALA 57 52.385 11.757 0.518 482 HA ALA 57 HA ALA 57 53.827 14.268 0.303 483 HB1 ALA 57 HB1 ALA 57 51.219 13.364 -1.053 484 HB2 ALA 57 HB2 ALA 57 52.862 13.302 -1.781 485 HB3 ALA 57 HB3 ALA 57 52.118 14.893 -1.384 486 H HIS 58 HN HIS 58 53.606 15.431 2.163 487 HA HIS 58 HA HIS 58 51.032 15.601 3.499 488 HB2 HIS 58 HB2 HIS 58 53.761 16.870 4.167 489 HB3 HIS 58 HB1 HIS 58 52.283 16.955 5.191 490 HD1 HIS 58 HD1 HIS 58 51.362 14.296 5.714 491 HD2 HIS 58 HD2 HIS 58 55.453 14.898 4.988 492 HE1 HIS 58 HE1 HIS 58 52.602 12.315 6.694 493 HE2 HIS 58 HE2 HIS 58 55.062 12.720 6.240 494 H HIS 59 HN HIS 59 53.600 17.811 2.240 495 HA HIS 59 HA HIS 59 51.577 19.783 1.507 496 HB2 HIS 59 HB2 HIS 59 53.637 20.579 2.701 497 HB3 HIS 59 HB1 HIS 59 54.647 19.886 1.389 498 HD1 HIS 59 HD1 HIS 59 55.340 22.573 1.422 499 HD2 HIS 59 HD2 HIS 59 51.598 21.627 -0.228 500 HE1 HIS 59 HE1 HIS 59 54.621 24.545 0.004 501 HE2 HIS 59 HE2 HIS 59 52.361 23.935 -0.970 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 48.516 -17.203 -17.009 2 H2 MET 1 HT2 MET 1 47.362 -16.326 -16.123 3 H3 MET 1 HT3 MET 1 48.995 -16.298 -15.653 4 HA MET 1 HA MET 1 48.355 -14.274 -16.746 5 HB2 MET 1 HB2 MET 1 50.293 -16.050 -18.381 6 HB3 MET 1 HB1 MET 1 50.101 -14.280 -18.612 7 HG2 MET 1 HG2 MET 1 52.016 -14.463 -17.327 8 HG3 MET 1 HG1 MET 1 50.749 -13.933 -16.183 9 HE1 MET 1 HE1 MET 1 53.228 -15.908 -13.944 10 HE2 MET 1 HE2 MET 1 52.300 -14.393 -14.218 11 HE3 MET 1 HE3 MET 1 53.590 -14.879 -15.372 12 H LEU 2 HN LEU 2 46.108 -14.409 -17.350 13 HA LEU 2 HA LEU 2 45.621 -15.285 -20.124 14 HB2 LEU 2 HB2 LEU 2 43.788 -15.096 -17.669 15 HB3 LEU 2 HB1 LEU 2 43.132 -15.065 -19.334 16 HG LEU 2 HG LEU 2 44.196 -17.250 -19.835 17 HD11 LEU 2 HD11 LEU 2 45.967 -17.470 -18.130 18 HD12 LEU 2 HD12 LEU 2 44.773 -18.791 -17.913 19 HD13 LEU 2 HD13 LEU 2 44.752 -17.374 -16.797 20 HD21 LEU 2 HD21 LEU 2 41.792 -17.007 -19.263 21 HD22 LEU 2 HD22 LEU 2 42.168 -17.215 -17.511 22 HD23 LEU 2 HD23 LEU 2 42.444 -18.577 -18.662 23 H LYS 3 HN LYS 3 43.941 -13.909 -21.190 24 HA LYS 3 HA LYS 3 44.505 -11.079 -20.726 25 HB2 LYS 3 HB2 LYS 3 44.860 -11.895 -22.995 26 HB3 LYS 3 HB1 LYS 3 43.220 -12.593 -23.065 27 HG2 LYS 3 HG2 LYS 3 43.551 -9.595 -22.522 28 HG3 LYS 3 HG1 LYS 3 43.915 -10.208 -24.167 29 HD2 LYS 3 HD2 LYS 3 41.207 -10.606 -22.756 30 HD3 LYS 3 HD1 LYS 3 41.599 -9.310 -23.932 31 HE2 LYS 3 HE2 LYS 3 42.117 -11.051 -25.689 32 HE3 LYS 3 HE1 LYS 3 41.638 -12.352 -24.524 33 HZ1 LYS 3 HZ1 LYS 3 39.901 -10.153 -25.508 34 HZ2 LYS 3 HZ2 LYS 3 39.453 -11.369 -24.410 35 HZ3 LYS 3 HZ3 LYS 3 39.867 -11.777 -26.006 36 H ASP 4 HN ASP 4 43.027 -9.832 -19.724 37 HA ASP 4 HA ASP 4 40.360 -10.967 -19.205 38 HB2 ASP 4 HB2 ASP 4 41.967 -8.909 -17.565 39 HB3 ASP 4 HB1 ASP 4 40.331 -9.546 -17.144 40 H TYR 5 HN TYR 5 38.961 -8.812 -18.500 41 HA TYR 5 HA TYR 5 39.054 -7.089 -20.890 42 HB2 TYR 5 HB2 TYR 5 36.631 -8.052 -19.308 43 HB3 TYR 5 HB1 TYR 5 36.586 -6.982 -20.770 44 HD1 TYR 5 HD1 TYR 5 36.624 -10.400 -19.591 45 HD2 TYR 5 HD2 TYR 5 37.657 -7.892 -22.926 46 HE1 TYR 5 HE1 TYR 5 36.670 -12.381 -21.062 47 HE2 TYR 5 HE2 TYR 5 37.687 -9.862 -24.404 48 HH TYR 5 HH TYR 5 37.004 -13.163 -23.146 49 H HIS 6 HN HIS 6 36.689 -5.843 -19.289 50 HA HIS 6 HA HIS 6 38.168 -3.749 -18.053 51 HB2 HIS 6 HB2 HIS 6 35.926 -3.530 -19.278 52 HB3 HIS 6 HB1 HIS 6 35.149 -4.399 -17.933 53 HD1 HIS 6 HD1 HIS 6 37.356 -1.271 -18.334 54 HD2 HIS 6 HD2 HIS 6 34.183 -2.691 -15.980 55 HE1 HIS 6 HE1 HIS 6 36.674 0.607 -16.775 56 HE2 HIS 6 HE2 HIS 6 34.766 -0.292 -15.370 57 H LEU 7 HN LEU 7 36.496 -6.663 -17.145 58 HA LEU 7 HA LEU 7 35.974 -6.267 -14.478 59 HB2 LEU 7 HB2 LEU 7 36.683 -8.905 -15.899 60 HB3 LEU 7 HB1 LEU 7 36.060 -8.770 -14.221 61 HG LEU 7 HG LEU 7 34.020 -7.528 -15.220 62 HD11 LEU 7 HD11 LEU 7 35.007 -8.926 -17.796 63 HD12 LEU 7 HD12 LEU 7 34.768 -7.152 -17.569 64 HD13 LEU 7 HD13 LEU 7 33.354 -8.256 -17.537 65 HD21 LEU 7 HD21 LEU 7 32.856 -9.694 -15.594 66 HD22 LEU 7 HD22 LEU 7 33.979 -9.778 -14.184 67 HD23 LEU 7 HD23 LEU 7 34.447 -10.533 -15.756 68 H LYS 8 HN LYS 8 37.147 -6.167 -12.683 69 HA LYS 8 HA LYS 8 40.020 -6.693 -12.844 70 HB2 LYS 8 HB2 LYS 8 39.095 -4.406 -12.110 71 HB3 LYS 8 HB1 LYS 8 38.459 -5.215 -10.643 72 HG2 LYS 8 HG2 LYS 8 40.824 -5.853 -10.014 73 HG3 LYS 8 HG1 LYS 8 41.409 -5.127 -11.554 74 HD2 LYS 8 HD2 LYS 8 40.387 -2.904 -10.801 75 HD3 LYS 8 HD1 LYS 8 40.088 -3.659 -9.194 76 HE2 LYS 8 HE2 LYS 8 42.589 -4.061 -8.960 77 HE3 LYS 8 HE1 LYS 8 42.847 -3.275 -10.568 78 HZ1 LYS 8 HZ1 LYS 8 41.887 -1.263 -9.667 79 HZ2 LYS 8 HZ2 LYS 8 43.221 -1.776 -8.749 80 HZ3 LYS 8 HZ3 LYS 8 41.646 -2.009 -8.160 81 H GLU 9 HN GLU 9 40.852 -8.425 -11.653 82 HA GLU 9 HA GLU 9 38.905 -10.076 -10.266 83 HB2 GLU 9 HB2 GLU 9 40.191 -12.027 -11.060 84 HB3 GLU 9 HB1 GLU 9 39.554 -11.052 -12.434 85 HG2 GLU 9 HG2 GLU 9 41.771 -9.998 -12.793 86 HG3 GLU 9 HG1 GLU 9 42.445 -10.882 -11.376 87 H MET 10 HN MET 10 41.646 -8.154 -10.111 88 HA MET 10 HA MET 10 42.472 -9.341 -7.558 89 HB2 MET 10 HB2 MET 10 43.938 -8.572 -10.082 90 HB3 MET 10 HB1 MET 10 44.830 -8.392 -8.496 91 HG2 MET 10 HG2 MET 10 44.527 -10.787 -8.027 92 HG3 MET 10 HG1 MET 10 43.532 -10.991 -9.498 93 HE1 MET 10 HE1 MET 10 45.760 -12.923 -8.863 94 HE2 MET 10 HE2 MET 10 46.572 -13.097 -10.458 95 HE3 MET 10 HE3 MET 10 44.783 -12.947 -10.373 96 HA PRO 11 HA PRO 11 41.398 -4.883 -7.257 97 HB2 PRO 11 HB2 PRO 11 40.161 -5.039 -4.745 98 HB3 PRO 11 HB1 PRO 11 39.331 -5.300 -6.323 99 HG2 PRO 11 HG1 PRO 11 40.448 -7.428 -4.435 100 HG3 PRO 11 HG2 PRO 11 38.841 -7.394 -5.274 101 HD2 PRO 11 HD1 PRO 11 40.986 -8.837 -6.283 102 HD3 PRO 11 HD2 PRO 11 39.875 -7.984 -7.401 103 H GLU 12 HN GLU 12 41.943 -6.183 -3.925 104 HA GLU 12 HA GLU 12 43.563 -6.185 -2.567 105 HB2 GLU 12 HB2 GLU 12 45.582 -5.337 -4.700 106 HB3 GLU 12 HB1 GLU 12 45.941 -5.964 -3.060 107 HG2 GLU 12 HG2 GLU 12 44.609 -7.510 -5.387 108 HG3 GLU 12 HG1 GLU 12 46.293 -7.711 -4.787 109 H MET 13 HN MET 13 43.158 -4.704 -1.096 110 HA MET 13 HA MET 13 42.209 -2.289 -2.027 111 HB2 MET 13 HB2 MET 13 42.566 -3.248 0.805 112 HB3 MET 13 HB1 MET 13 41.608 -1.799 0.295 113 HG2 MET 13 HG2 MET 13 41.113 -4.748 -0.424 114 HG3 MET 13 HG1 MET 13 40.150 -3.688 0.644 115 HE1 MET 13 HE1 MET 13 37.875 -4.671 -2.440 116 HE2 MET 13 HE2 MET 13 38.142 -4.818 -0.668 117 HE3 MET 13 HE3 MET 13 39.264 -5.626 -1.818 118 H GLU 14 HN GLU 14 42.658 -0.132 -1.363 119 HA GLU 14 HA GLU 14 45.492 0.234 -1.897 120 HB2 GLU 14 HB2 GLU 14 44.752 2.189 -3.181 121 HB3 GLU 14 HB1 GLU 14 43.837 0.722 -3.675 122 HG2 GLU 14 HG2 GLU 14 41.852 1.462 -2.348 123 HG3 GLU 14 HG1 GLU 14 42.741 2.932 -1.806 124 H ASP 15 HN ASP 15 42.931 1.055 0.303 125 HA ASP 15 HA ASP 15 44.321 3.378 1.298 126 HB2 ASP 15 HB2 ASP 15 42.552 3.772 2.795 127 HB3 ASP 15 HB1 ASP 15 41.870 3.459 1.167 128 H GLU 16 HN GLU 16 44.213 -0.025 1.786 129 HA GLU 16 HA GLU 16 45.363 -0.165 4.369 130 HB2 GLU 16 HB2 GLU 16 44.214 -2.103 3.303 131 HB3 GLU 16 HB1 GLU 16 45.374 -2.061 1.943 132 HG2 GLU 16 HG2 GLU 16 45.878 -3.927 3.485 133 HG3 GLU 16 HG1 GLU 16 47.238 -2.754 3.447 134 H PHE 17 HN PHE 17 46.547 0.152 0.992 135 HA PHE 17 HA PHE 17 49.292 -0.008 1.600 136 HB2 PHE 17 HB2 PHE 17 48.443 -0.386 -0.703 137 HB3 PHE 17 HB1 PHE 17 47.807 1.284 -0.769 138 HD1 PHE 17 HD1 PHE 17 50.921 -0.756 -0.657 139 HD2 PHE 17 HD2 PHE 17 49.246 3.149 -1.243 140 HE1 PHE 17 HE1 PHE 17 53.095 0.037 -1.534 141 HE2 PHE 17 HE2 PHE 17 51.451 3.966 -2.040 142 HZ PHE 17 HZ PHE 17 53.384 2.418 -2.112 143 H LEU 18 HN LEU 18 46.911 2.687 1.580 144 HA LEU 18 HA LEU 18 48.848 4.724 1.666 145 HB2 LEU 18 HB2 LEU 18 45.855 4.511 2.086 146 HB3 LEU 18 HB1 LEU 18 46.623 6.046 2.514 147 HG LEU 18 HG LEU 18 46.953 4.700 -0.233 148 HD11 LEU 18 HD11 LEU 18 44.550 5.234 0.127 149 HD12 LEU 18 HD12 LEU 18 45.279 6.320 -1.112 150 HD13 LEU 18 HD13 LEU 18 44.975 6.933 0.559 151 HD21 LEU 18 HD21 LEU 18 47.547 7.591 0.664 152 HD22 LEU 18 HD22 LEU 18 47.691 6.943 -1.012 153 HD23 LEU 18 HD23 LEU 18 48.771 6.324 0.280 154 H GLU 19 HN GLU 19 47.285 2.796 4.220 155 HA GLU 19 HA GLU 19 48.271 4.597 6.289 156 HB2 GLU 19 HB2 GLU 19 46.649 1.991 6.398 157 HB3 GLU 19 HB1 GLU 19 47.119 2.978 7.834 158 HG2 GLU 19 HG2 GLU 19 45.862 4.935 6.905 159 HG3 GLU 19 HG1 GLU 19 45.314 3.947 5.513 160 H TYR 20 HN TYR 20 49.377 1.912 4.441 161 HA TYR 20 HA TYR 20 50.992 0.651 6.406 162 HB2 TYR 20 HB2 TYR 20 50.460 0.303 3.583 163 HB3 TYR 20 HB1 TYR 20 52.102 0.705 3.551 164 HD1 TYR 20 HD1 TYR 20 49.753 -1.789 5.012 165 HD2 TYR 20 HD2 TYR 20 53.819 -0.597 4.426 166 HE1 TYR 20 HE1 TYR 20 50.496 -4.068 5.646 167 HE2 TYR 20 HE2 TYR 20 54.595 -2.880 5.043 168 HH TYR 20 HH TYR 20 53.986 -4.954 5.669 169 H CYS 21 HN CYS 21 51.287 3.152 3.951 170 HA CYS 21 HA CYS 21 53.923 2.971 3.798 171 HB2 CYS 21 HB2 CYS 21 52.079 5.221 2.836 172 HB3 CYS 21 HB1 CYS 21 53.834 5.274 2.492 173 HG CYS 21 HG1 CYS 21 54.049 3.023 1.337 174 H ALA 22 HN ALA 22 52.197 4.523 6.227 175 HA ALA 22 HA ALA 22 53.721 6.740 6.959 176 HB1 ALA 22 HB1 ALA 22 52.529 6.456 9.152 177 HB2 ALA 22 HB2 ALA 22 52.007 4.800 8.638 178 HB3 ALA 22 HB3 ALA 22 51.395 6.246 7.761 179 H LYS 23 HN LYS 23 54.376 3.356 7.046 180 HA LYS 23 HA LYS 23 56.659 3.594 8.822 181 HB2 LYS 23 HB2 LYS 23 55.309 1.433 8.814 182 HB3 LYS 23 HB1 LYS 23 55.666 1.257 7.074 183 HG2 LYS 23 HG2 LYS 23 58.228 1.599 8.258 184 HG3 LYS 23 HG1 LYS 23 57.337 0.637 9.476 185 HD2 LYS 23 HD2 LYS 23 57.681 -0.043 6.481 186 HD3 LYS 23 HD1 LYS 23 58.628 -0.749 7.836 187 HE2 LYS 23 HE2 LYS 23 56.533 -1.789 8.774 188 HE3 LYS 23 HE1 LYS 23 55.578 -1.107 7.393 189 HZ1 LYS 23 HZ1 LYS 23 57.860 -2.998 7.176 190 HZ2 LYS 23 HZ2 LYS 23 56.963 -2.356 5.886 191 HZ3 LYS 23 HZ3 LYS 23 56.212 -3.375 7.019 192 H ASN 24 HN ASN 24 57.446 5.326 7.562 193 HA ASN 24 HA ASN 24 58.065 5.160 4.856 194 HB2 ASN 24 HB2 ASN 24 59.305 6.996 6.987 195 HB3 ASN 24 HB1 ASN 24 59.503 7.186 5.217 196 HD21 ASN 24 HD21 ASN 24 56.035 8.187 4.644 197 HD22 ASN 24 HD22 ASN 24 57.321 7.268 3.937 198 HA PRO 25 HA PRO 25 62.496 3.787 6.046 199 HB2 PRO 25 HB2 PRO 25 62.622 2.230 8.462 200 HB3 PRO 25 HB1 PRO 25 63.213 3.940 8.285 201 HG2 PRO 25 HG1 PRO 25 60.506 2.953 9.316 202 HG3 PRO 25 HG2 PRO 25 61.567 4.253 10.008 203 HD2 PRO 25 HD1 PRO 25 59.419 4.915 8.457 204 HD3 PRO 25 HD2 PRO 25 61.000 5.767 8.174 205 H SER 26 HN SER 26 63.139 1.781 5.192 206 HA SER 26 HA SER 26 62.888 -0.114 4.221 207 HB2 SER 26 HB2 SER 26 61.307 -0.805 6.746 208 HB3 SER 26 HB1 SER 26 61.659 -2.028 5.444 209 HG SER 26 HG1 SER 26 63.176 -2.037 7.097 210 H TYR 27 HN TYR 27 61.802 1.444 2.788 211 HA TYR 27 HA TYR 27 58.991 1.402 2.536 212 HB2 TYR 27 HB2 TYR 27 59.250 2.836 0.718 213 HB3 TYR 27 HB1 TYR 27 60.564 3.326 1.855 214 HD1 TYR 27 HD1 TYR 27 59.840 3.206 -1.427 215 HD2 TYR 27 HD2 TYR 27 62.833 1.565 1.190 216 HE1 TYR 27 HE1 TYR 27 61.333 2.887 -3.341 217 HE2 TYR 27 HE2 TYR 27 64.358 1.297 -0.718 218 HH TYR 27 HH TYR 27 64.644 1.528 -2.944 219 H GLU 28 HN GLU 28 61.612 -0.458 1.524 220 HA GLU 28 HA GLU 28 60.725 -1.733 -0.764 221 HB2 GLU 28 HB2 GLU 28 62.464 -3.531 0.119 222 HB3 GLU 28 HB1 GLU 28 63.026 -1.907 -0.385 223 HG2 GLU 28 HG2 GLU 28 63.220 -1.101 1.900 224 HG3 GLU 28 HG1 GLU 28 62.430 -2.563 2.578 225 H GLU 29 HN GLU 29 60.017 -2.209 2.704 226 HA GLU 29 HA GLU 29 58.814 -4.804 2.247 227 HB2 GLU 29 HB2 GLU 29 59.005 -2.990 4.703 228 HB3 GLU 29 HB1 GLU 29 58.265 -4.635 4.708 229 HG2 GLU 29 HG2 GLU 29 60.407 -5.679 4.082 230 HG3 GLU 29 HG1 GLU 29 61.205 -4.074 3.939 231 H ALA 30 HN ALA 30 57.864 -1.571 1.751 232 HA ALA 30 HA ALA 30 55.024 -2.188 2.219 233 HB1 ALA 30 HB1 ALA 30 54.639 0.250 1.950 234 HB2 ALA 30 HB2 ALA 30 56.402 0.506 1.645 235 HB3 ALA 30 HB3 ALA 30 55.839 -0.050 3.261 236 H TYR 31 HN TYR 31 57.548 -2.024 -0.123 237 HA TYR 31 HA TYR 31 55.783 -1.466 -2.375 238 HB2 TYR 31 HB2 TYR 31 57.988 -0.364 -2.502 239 HB3 TYR 31 HB1 TYR 31 58.778 -1.801 -1.889 240 HD1 TYR 31 HD1 TYR 31 56.352 -1.890 -4.722 241 HD2 TYR 31 HD2 TYR 31 60.473 -1.867 -3.564 242 HE1 TYR 31 HE1 TYR 31 56.956 -2.744 -6.951 243 HE2 TYR 31 HE2 TYR 31 61.118 -2.615 -5.825 244 HH TYR 31 HH TYR 31 60.406 -3.281 -7.855 245 H LEU 32 HN LEU 32 58.187 -3.979 -1.397 246 HA LEU 32 HA LEU 32 57.455 -5.665 -3.472 247 HB2 LEU 32 HB2 LEU 32 59.011 -6.166 -0.876 248 HB3 LEU 32 HB1 LEU 32 58.990 -7.297 -2.260 249 HG LEU 32 HG LEU 32 59.926 -4.355 -2.472 250 HD11 LEU 32 HD11 LEU 32 62.262 -5.172 -2.287 251 HD12 LEU 32 HD12 LEU 32 61.679 -6.854 -1.989 252 HD13 LEU 32 HD13 LEU 32 61.336 -5.552 -0.789 253 HD21 LEU 32 HD21 LEU 32 61.107 -5.136 -4.532 254 HD22 LEU 32 HD22 LEU 32 59.328 -5.377 -4.658 255 HD23 LEU 32 HD23 LEU 32 60.407 -6.784 -4.321 256 H LYS 33 HN LYS 33 56.314 -5.416 -0.181 257 HA LYS 33 HA LYS 33 55.107 -7.906 0.158 258 HB2 LYS 33 HB2 LYS 33 55.445 -6.193 1.990 259 HB3 LYS 33 HB1 LYS 33 54.246 -5.144 1.231 260 HG2 LYS 33 HG2 LYS 33 53.229 -7.917 1.827 261 HG3 LYS 33 HG1 LYS 33 53.822 -7.022 3.270 262 HD2 LYS 33 HD2 LYS 33 52.363 -5.141 2.765 263 HD3 LYS 33 HD1 LYS 33 51.864 -5.886 1.208 264 HE2 LYS 33 HE2 LYS 33 51.254 -6.983 4.043 265 HE3 LYS 33 HE1 LYS 33 50.098 -6.176 2.911 266 HZ1 LYS 33 HZ1 LYS 33 51.496 -8.741 2.405 267 HZ2 LYS 33 HZ2 LYS 33 50.404 -7.965 1.361 268 HZ3 LYS 33 HZ3 LYS 33 49.872 -8.548 2.865 269 H PHE 34 HN PHE 34 53.865 -4.789 -1.144 270 HA PHE 34 HA PHE 34 51.312 -5.884 -1.886 271 HB2 PHE 34 HB2 PHE 34 52.682 -3.146 -2.314 272 HB3 PHE 34 HB1 PHE 34 51.066 -3.538 -2.981 273 HD1 PHE 34 HD1 PHE 34 49.118 -3.325 -1.584 274 HD2 PHE 34 HD2 PHE 34 53.029 -3.388 0.192 275 HE1 PHE 34 HE1 PHE 34 48.150 -2.671 0.593 276 HE2 PHE 34 HE2 PHE 34 52.072 -2.818 2.365 277 HZ PHE 34 HZ PHE 34 49.622 -2.373 2.570 278 H GLY 35 HN GLY 35 53.428 -3.897 -3.971 279 HA2 GLY 35 HA2 GLY 35 54.795 -5.536 -5.415 280 HA3 GLY 35 HA1 GLY 35 53.167 -5.709 -6.193 281 H ASP 36 HN ASP 36 52.869 -4.391 -7.868 282 HA ASP 36 HA ASP 36 54.593 -2.197 -8.302 283 HB2 ASP 36 HB2 ASP 36 52.044 -2.988 -9.814 284 HB3 ASP 36 HB1 ASP 36 53.329 -1.872 -10.415 285 H LYS 37 HN LYS 37 52.210 -2.315 -6.108 286 HA LYS 37 HA LYS 37 50.551 -0.182 -6.699 287 HB2 LYS 37 HB2 LYS 37 50.089 -2.069 -5.074 288 HB3 LYS 37 HB1 LYS 37 51.245 -1.314 -3.947 289 HG2 LYS 37 HG2 LYS 37 48.940 -0.771 -3.348 290 HG3 LYS 37 HG1 LYS 37 49.832 0.724 -3.792 291 HD2 LYS 37 HD2 LYS 37 48.739 0.800 -5.994 292 HD3 LYS 37 HD1 LYS 37 48.003 -0.825 -5.724 293 HE2 LYS 37 HE2 LYS 37 46.708 0.077 -3.803 294 HE3 LYS 37 HE1 LYS 37 47.392 1.732 -4.084 295 HZ1 LYS 37 HZ1 LYS 37 45.762 0.160 -6.016 296 HZ2 LYS 37 HZ2 LYS 37 46.430 1.696 -6.292 297 HZ3 LYS 37 HZ3 LYS 37 45.241 1.490 -5.097 298 H LEU 38 HN LEU 38 53.700 -0.427 -5.021 299 HA LEU 38 HA LEU 38 53.589 2.328 -4.136 300 HB2 LEU 38 HB2 LEU 38 54.826 0.443 -2.817 301 HB3 LEU 38 HB1 LEU 38 55.969 0.372 -4.116 302 HG LEU 38 HG LEU 38 55.505 3.121 -2.983 303 HD11 LEU 38 HD11 LEU 38 55.281 1.796 -0.898 304 HD12 LEU 38 HD12 LEU 38 56.801 2.764 -0.908 305 HD13 LEU 38 HD13 LEU 38 56.859 0.992 -1.220 306 HD21 LEU 38 HD21 LEU 38 57.314 2.675 -4.643 307 HD22 LEU 38 HD22 LEU 38 58.081 1.509 -3.503 308 HD23 LEU 38 HD23 LEU 38 57.987 3.264 -3.078 309 H LEU 39 HN LEU 39 54.619 0.618 -7.034 310 HA LEU 39 HA LEU 39 56.379 2.669 -7.896 311 HB2 LEU 39 HB2 LEU 39 54.879 0.555 -9.524 312 HB3 LEU 39 HB1 LEU 39 56.202 1.602 -10.130 313 HG LEU 39 HG LEU 39 56.394 -0.528 -7.915 314 HD11 LEU 39 HD11 LEU 39 56.140 -1.420 -10.231 315 HD12 LEU 39 HD12 LEU 39 57.772 -1.783 -9.549 316 HD13 LEU 39 HD13 LEU 39 57.570 -0.458 -10.761 317 HD21 LEU 39 HD21 LEU 39 58.621 1.281 -9.059 318 HD22 LEU 39 HD22 LEU 39 58.885 -0.158 -8.007 319 HD23 LEU 39 HD23 LEU 39 58.005 1.269 -7.362 320 H GLU 40 HN GLU 40 52.920 1.885 -8.573 321 HA GLU 40 HA GLU 40 52.619 3.976 -10.448 322 HB2 GLU 40 HB2 GLU 40 50.163 3.535 -10.225 323 HB3 GLU 40 HB1 GLU 40 51.131 2.064 -10.607 324 HG2 GLU 40 HG2 GLU 40 51.010 1.383 -8.195 325 HG3 GLU 40 HG1 GLU 40 50.086 2.852 -7.806 326 H TYR 41 HN TYR 41 52.073 3.783 -6.909 327 HA TYR 41 HA TYR 41 50.596 6.238 -6.821 328 HB2 TYR 41 HB2 TYR 41 51.618 4.153 -4.839 329 HB3 TYR 41 HB1 TYR 41 51.360 5.773 -4.196 330 HD1 TYR 41 HD1 TYR 41 49.580 5.178 -2.727 331 HD2 TYR 41 HD2 TYR 41 49.109 4.511 -6.970 332 HE1 TYR 41 HE1 TYR 41 47.167 4.879 -2.436 333 HE2 TYR 41 HE2 TYR 41 46.716 4.249 -6.661 334 HH TYR 41 HH TYR 41 45.178 4.538 -3.428 335 H GLU 42 HN GLU 42 53.933 5.322 -6.855 336 HA GLU 42 HA GLU 42 54.981 7.740 -5.754 337 HB2 GLU 42 HB2 GLU 42 56.275 5.600 -5.884 338 HB3 GLU 42 HB1 GLU 42 56.277 5.721 -7.673 339 HG2 GLU 42 HG2 GLU 42 57.592 7.916 -7.440 340 HG3 GLU 42 HG1 GLU 42 57.631 7.638 -5.658 341 H LEU 43 HN LEU 43 54.329 6.476 -9.038 342 HA LEU 43 HA LEU 43 55.231 8.752 -10.440 343 HB2 LEU 43 HB2 LEU 43 53.438 6.359 -11.136 344 HB3 LEU 43 HB1 LEU 43 53.902 7.573 -12.364 345 HG LEU 43 HG LEU 43 55.926 5.919 -10.745 346 HD11 LEU 43 HD11 LEU 43 54.845 5.385 -13.583 347 HD12 LEU 43 HD12 LEU 43 54.494 4.411 -12.104 348 HD13 LEU 43 HD13 LEU 43 56.173 4.484 -12.756 349 HD21 LEU 43 HD21 LEU 43 56.906 8.012 -11.655 350 HD22 LEU 43 HD22 LEU 43 56.280 7.613 -13.299 351 HD23 LEU 43 HD23 LEU 43 57.541 6.576 -12.532 352 H LEU 44 HN LEU 44 52.277 7.973 -8.755 353 HA LEU 44 HA LEU 44 50.578 9.706 -10.246 354 HB2 LEU 44 HB2 LEU 44 49.701 7.666 -9.306 355 HB3 LEU 44 HB1 LEU 44 50.273 8.131 -7.679 356 HG LEU 44 HG LEU 44 48.601 9.834 -7.460 357 HD11 LEU 44 HD11 LEU 44 47.747 9.245 -10.376 358 HD12 LEU 44 HD12 LEU 44 48.496 10.771 -9.772 359 HD13 LEU 44 HD13 LEU 44 46.852 10.299 -9.218 360 HD21 LEU 44 HD21 LEU 44 47.319 7.293 -8.642 361 HD22 LEU 44 HD22 LEU 44 46.531 8.467 -7.520 362 HD23 LEU 44 HD23 LEU 44 47.939 7.487 -6.962 363 H GLY 45 HN GLY 45 51.176 9.737 -6.653 364 HA2 GLY 45 HA2 GLY 45 52.613 11.777 -6.127 365 HA3 GLY 45 HA1 GLY 45 51.156 12.651 -6.764 366 H LYS 46 HN LYS 46 51.123 9.557 -5.038 367 HA LYS 46 HA LYS 46 49.466 10.686 -2.922 368 HB2 LYS 46 HB2 LYS 46 50.308 7.862 -3.712 369 HB3 LYS 46 HB1 LYS 46 49.306 8.206 -2.261 370 HG2 LYS 46 HG2 LYS 46 48.469 9.047 -5.109 371 HG3 LYS 46 HG1 LYS 46 48.167 7.410 -4.453 372 HD2 LYS 46 HD2 LYS 46 46.944 8.396 -2.508 373 HD3 LYS 46 HD1 LYS 46 47.102 10.031 -3.255 374 HE2 LYS 46 HE2 LYS 46 45.837 9.222 -5.276 375 HE3 LYS 46 HE1 LYS 46 45.738 7.566 -4.549 376 HZ1 LYS 46 HZ1 LYS 46 44.478 8.500 -2.729 377 HZ2 LYS 46 HZ2 LYS 46 43.729 8.819 -4.219 378 HZ3 LYS 46 HZ3 LYS 46 44.569 10.053 -3.409 379 H ILE 47 HN ILE 47 52.412 8.823 -3.582 380 HA ILE 47 HA ILE 47 53.688 9.655 -1.061 381 HB ILE 47 HB ILE 47 55.116 7.627 -1.457 382 HG12 ILE 47 HG12 ILE 47 52.866 6.480 -3.119 383 HG13 ILE 47 HG11 ILE 47 53.969 7.584 -3.977 384 HG21 ILE 47 HG21 ILE 47 52.113 7.142 -0.921 385 HG22 ILE 47 HG22 ILE 47 53.330 7.720 0.281 386 HG23 ILE 47 HG23 ILE 47 53.481 6.075 -0.438 387 HD11 ILE 47 HD1 ILE 47 54.865 5.196 -2.368 388 HD12 ILE 47 HD2 ILE 47 55.938 6.242 -3.364 389 HD13 ILE 47 HD3 ILE 47 54.684 5.200 -4.153 390 H LYS 48 HN LYS 48 56.239 9.476 -1.613 391 HA LYS 48 HA LYS 48 56.797 9.503 -4.404 392 HB2 LYS 48 HB2 LYS 48 57.982 11.695 -2.539 393 HB3 LYS 48 HB1 LYS 48 58.473 11.444 -4.245 394 HG2 LYS 48 HG2 LYS 48 56.210 12.146 -5.011 395 HG3 LYS 48 HG1 LYS 48 55.714 12.438 -3.305 396 HD2 LYS 48 HD2 LYS 48 58.025 13.868 -4.752 397 HD3 LYS 48 HD1 LYS 48 56.360 14.520 -4.525 398 HE2 LYS 48 HE2 LYS 48 56.677 14.435 -2.016 399 HE3 LYS 48 HE1 LYS 48 58.374 13.850 -2.267 400 HZ1 LYS 48 HZ1 LYS 48 58.838 15.874 -3.467 401 HZ2 LYS 48 HZ2 LYS 48 58.277 16.203 -1.898 402 HZ3 LYS 48 HZ3 LYS 48 57.249 16.426 -3.232 403 H ARG 49 HN ARG 49 59.285 9.246 -4.666 404 HA ARG 49 HA ARG 49 60.682 8.580 -2.234 405 HB2 ARG 49 HB2 ARG 49 59.744 6.365 -2.898 406 HB3 ARG 49 HB1 ARG 49 60.493 6.521 -4.513 407 HG2 ARG 49 HG2 ARG 49 62.255 6.810 -2.034 408 HG3 ARG 49 HG1 ARG 49 61.597 5.195 -2.392 409 HD2 ARG 49 HD2 ARG 49 63.388 6.849 -4.310 410 HD3 ARG 49 HD1 ARG 49 63.904 5.469 -3.276 411 HE ARG 49 HE ARG 49 62.457 3.965 -4.556 412 HH11 ARG 49 HH11 ARG 49 61.874 3.271 -6.680 413 HH12 ARG 49 HH12 ARG 49 61.889 4.387 -8.003 414 HH21 ARG 49 HH21 ARG 49 62.936 7.179 -6.075 415 HH22 ARG 49 HH22 ARG 49 62.498 6.627 -7.657 416 H ILE 50 HN ILE 50 62.876 9.227 -2.533 417 HA ILE 50 HA ILE 50 63.838 9.640 -5.184 418 HB ILE 50 HB ILE 50 62.506 11.649 -5.050 419 HG12 ILE 50 HG12 ILE 50 64.216 13.426 -5.278 420 HG13 ILE 50 HG11 ILE 50 65.480 12.335 -4.633 421 HG21 ILE 50 HG21 ILE 50 63.953 12.339 -2.417 422 HG22 ILE 50 HG22 ILE 50 62.244 11.772 -2.569 423 HG23 ILE 50 HG23 ILE 50 62.745 13.339 -3.291 424 HD11 ILE 50 HD1 ILE 50 65.506 12.481 -7.148 425 HD12 ILE 50 HD2 ILE 50 63.821 11.841 -7.203 426 HD13 ILE 50 HD3 ILE 50 65.168 10.801 -6.603 427 H ASN 51 HN ASN 51 64.177 10.072 -1.641 428 HA ASN 51 HA ASN 51 66.979 10.492 -1.827 429 HB2 ASN 51 HB2 ASN 51 65.544 11.551 -0.069 430 HB3 ASN 51 HB1 ASN 51 65.175 9.944 0.622 431 HD21 ASN 51 HD21 ASN 51 68.074 9.991 2.671 432 HD22 ASN 51 HD22 ASN 51 66.475 9.401 2.362 433 H HIS 52 HN HIS 52 65.256 8.030 0.161 434 HA HIS 52 HA HIS 52 66.898 5.897 -0.964 435 HB2 HIS 52 HB2 HIS 52 68.174 6.704 1.063 436 HB3 HIS 52 HB1 HIS 52 66.671 6.624 2.036 437 HD1 HIS 52 HD1 HIS 52 68.194 4.997 3.543 438 HD2 HIS 52 HD2 HIS 52 67.120 3.441 -0.206 439 HE1 HIS 52 HE1 HIS 52 68.570 2.493 3.628 440 HE2 HIS 52 HE2 HIS 52 67.911 1.595 1.352 441 H ILE 53 HN ILE 53 64.348 7.122 1.244 442 HA ILE 53 HA ILE 53 62.860 4.609 0.935 443 HB ILE 53 HB ILE 53 61.913 5.076 3.146 444 HG12 ILE 53 HG12 ILE 53 64.221 7.106 3.469 445 HG13 ILE 53 HG11 ILE 53 62.515 7.576 3.140 446 HG21 ILE 53 HG21 ILE 53 64.968 4.655 3.026 447 HG22 ILE 53 HG22 ILE 53 63.706 3.401 2.722 448 HG23 ILE 53 HG23 ILE 53 63.866 4.139 4.351 449 HD11 ILE 53 HD1 ILE 53 61.781 6.294 5.149 450 HD12 ILE 53 HD2 ILE 53 62.846 7.704 5.545 451 HD13 ILE 53 HD3 ILE 53 63.507 6.024 5.608 452 H VAL 54 HN VAL 54 60.487 5.053 1.507 453 HA VAL 54 HA VAL 54 59.586 6.977 -0.358 454 HB VAL 54 HB VAL 54 58.644 4.657 -0.037 455 HG11 VAL 54 HG11 VAL 54 57.262 5.842 2.464 456 HG12 VAL 54 HG12 VAL 54 58.634 4.672 2.503 457 HG13 VAL 54 HG13 VAL 54 57.058 4.196 1.776 458 HG21 VAL 54 HG21 VAL 54 56.293 5.279 -0.424 459 HG22 VAL 54 HG22 VAL 54 57.422 6.330 -1.348 460 HG23 VAL 54 HG23 VAL 54 56.613 6.952 0.146 461 H VAL 55 HN VAL 55 58.231 8.808 0.157 462 HA VAL 55 HA VAL 55 58.029 9.526 2.993 463 HB VAL 55 HB VAL 55 58.073 11.917 2.328 464 HG11 VAL 55 HG11 VAL 55 60.073 10.760 3.296 465 HG12 VAL 55 HG12 VAL 55 60.545 12.061 2.140 466 HG13 VAL 55 HG13 VAL 55 60.640 10.334 1.637 467 HG21 VAL 55 HG21 VAL 55 57.485 11.665 -0.113 468 HG22 VAL 55 HG22 VAL 55 59.067 10.850 -0.412 469 HG23 VAL 55 HG23 VAL 55 59.018 12.569 0.108 470 H LEU 56 HN LEU 56 55.990 10.690 3.410 471 HA LEU 56 HA LEU 56 53.883 9.948 1.526 472 HB2 LEU 56 HB2 LEU 56 53.807 11.435 4.213 473 HB3 LEU 56 HB1 LEU 56 52.358 11.020 3.238 474 HG LEU 56 HG LEU 56 54.306 8.925 4.377 475 HD11 LEU 56 HD11 LEU 56 51.669 9.958 5.598 476 HD12 LEU 56 HD12 LEU 56 53.329 10.247 6.242 477 HD13 LEU 56 HD13 LEU 56 52.653 8.576 6.209 478 HD21 LEU 56 HD21 LEU 56 52.958 8.033 2.513 479 HD22 LEU 56 HD22 LEU 56 51.441 8.641 3.280 480 HD23 LEU 56 HD23 LEU 56 52.399 7.342 4.082 481 H ALA 57 HN ALA 57 52.613 11.646 0.481 482 HA ALA 57 HA ALA 57 54.160 14.079 0.052 483 HB1 ALA 57 HB1 ALA 57 51.642 13.074 -1.386 484 HB2 ALA 57 HB2 ALA 57 53.333 12.836 -1.950 485 HB3 ALA 57 HB3 ALA 57 52.651 14.497 -1.852 486 H HIS 58 HN HIS 58 53.297 14.079 2.604 487 HA HIS 58 HA HIS 58 50.871 15.657 2.783 488 HB2 HIS 58 HB2 HIS 58 51.471 15.760 5.257 489 HB3 HIS 58 HB1 HIS 58 51.099 14.133 4.605 490 HD1 HIS 58 HD1 HIS 58 52.424 13.673 6.976 491 HD2 HIS 58 HD2 HIS 58 54.761 14.692 3.641 492 HE1 HIS 58 HE1 HIS 58 54.779 12.856 7.424 493 HE2 HIS 58 HE2 HIS 58 56.151 13.489 5.389 494 H HIS 59 HN HIS 59 50.881 17.855 2.967 495 HA HIS 59 HA HIS 59 53.416 19.136 2.305 496 HB2 HIS 59 HB2 HIS 59 50.519 20.161 2.183 497 HB3 HIS 59 HB1 HIS 59 51.983 21.094 1.711 498 HD1 HIS 59 HD1 HIS 59 50.117 17.919 0.659 499 HD2 HIS 59 HD2 HIS 59 52.857 20.699 -0.885 500 HE1 HIS 59 HE1 HIS 59 50.437 17.378 -1.795 501 HE2 HIS 59 HE2 HIS 59 52.097 19.072 -2.686 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 29.412 3.442 8.847 2 H2 MET 1 HT2 MET 1 29.876 1.917 9.436 3 H3 MET 1 HT3 MET 1 30.947 2.816 8.472 4 HA MET 1 HA MET 1 31.121 4.491 10.128 5 HB2 MET 1 HB2 MET 1 29.343 2.611 11.832 6 HB3 MET 1 HB1 MET 1 30.181 4.076 12.448 7 HG2 MET 1 HG2 MET 1 27.936 3.968 10.355 8 HG3 MET 1 HG1 MET 1 27.798 4.443 12.077 9 HE1 MET 1 HE1 MET 1 26.488 6.526 11.341 10 HE2 MET 1 HE2 MET 1 26.677 6.048 9.618 11 HE3 MET 1 HE3 MET 1 27.041 7.732 10.128 12 H LEU 2 HN LEU 2 30.721 1.108 11.324 13 HA LEU 2 HA LEU 2 33.295 1.277 12.590 14 HB2 LEU 2 HB2 LEU 2 31.037 0.468 13.626 15 HB3 LEU 2 HB1 LEU 2 31.263 -1.033 12.707 16 HG LEU 2 HG LEU 2 33.600 -1.179 13.917 17 HD11 LEU 2 HD11 LEU 2 32.244 0.985 15.659 18 HD12 LEU 2 HD12 LEU 2 33.751 1.185 14.695 19 HD13 LEU 2 HD13 LEU 2 33.735 0.067 16.108 20 HD21 LEU 2 HD21 LEU 2 32.596 -2.176 15.965 21 HD22 LEU 2 HD22 LEU 2 31.670 -2.639 14.488 22 HD23 LEU 2 HD23 LEU 2 31.022 -1.374 15.600 23 H LYS 3 HN LYS 3 32.642 -1.970 11.916 24 HA LYS 3 HA LYS 3 34.595 -2.037 9.752 25 HB2 LYS 3 HB2 LYS 3 34.947 -3.467 11.745 26 HB3 LYS 3 HB1 LYS 3 33.358 -4.253 11.504 27 HG2 LYS 3 HG2 LYS 3 35.408 -4.329 9.234 28 HG3 LYS 3 HG1 LYS 3 35.708 -5.321 10.701 29 HD2 LYS 3 HD2 LYS 3 33.564 -6.488 10.462 30 HD3 LYS 3 HD1 LYS 3 33.136 -5.492 9.032 31 HE2 LYS 3 HE2 LYS 3 35.137 -6.431 7.792 32 HE3 LYS 3 HE1 LYS 3 35.503 -7.482 9.221 33 HZ1 LYS 3 HZ1 LYS 3 34.260 -8.636 7.540 34 HZ2 LYS 3 HZ2 LYS 3 33.000 -7.499 7.615 35 HZ3 LYS 3 HZ3 LYS 3 33.333 -8.488 8.956 36 H ASP 4 HN ASP 4 33.944 -2.506 7.649 37 HA ASP 4 HA ASP 4 31.095 -2.549 7.171 38 HB2 ASP 4 HB2 ASP 4 33.470 -2.599 5.207 39 HB3 ASP 4 HB1 ASP 4 31.732 -2.501 4.733 40 H TYR 5 HN TYR 5 29.922 -4.317 6.736 41 HA TYR 5 HA TYR 5 31.244 -6.874 7.038 42 HB2 TYR 5 HB2 TYR 5 28.285 -6.161 7.070 43 HB3 TYR 5 HB1 TYR 5 29.009 -7.753 7.549 44 HD1 TYR 5 HD1 TYR 5 30.931 -7.574 9.382 45 HD2 TYR 5 HD2 TYR 5 27.892 -4.598 8.757 46 HE1 TYR 5 HE1 TYR 5 31.323 -6.700 11.654 47 HE2 TYR 5 HE2 TYR 5 28.274 -3.725 11.031 48 HH TYR 5 HH TYR 5 29.467 -3.899 12.934 49 H HIS 6 HN HIS 6 28.490 -7.642 5.661 50 HA HIS 6 HA HIS 6 29.567 -8.359 3.135 51 HB2 HIS 6 HB2 HIS 6 27.809 -9.624 4.500 52 HB3 HIS 6 HB1 HIS 6 26.618 -8.374 4.060 53 HD1 HIS 6 HD1 HIS 6 26.034 -8.274 1.410 54 HD2 HIS 6 HD2 HIS 6 28.320 -11.593 2.585 55 HE1 HIS 6 HE1 HIS 6 25.924 -9.969 -0.470 56 HE2 HIS 6 HE2 HIS 6 27.320 -11.948 0.274 57 H LEU 7 HN LEU 7 27.626 -5.829 4.481 58 HA LEU 7 HA LEU 7 26.194 -4.637 2.636 59 HB2 LEU 7 HB2 LEU 7 28.075 -3.199 4.605 60 HB3 LEU 7 HB1 LEU 7 26.624 -2.466 3.834 61 HG LEU 7 HG LEU 7 26.627 -4.882 5.750 62 HD11 LEU 7 HD11 LEU 7 25.741 -3.322 7.460 63 HD12 LEU 7 HD12 LEU 7 25.903 -1.941 6.309 64 HD13 LEU 7 HD13 LEU 7 27.374 -2.812 6.890 65 HD21 LEU 7 HD21 LEU 7 24.649 -4.946 4.241 66 HD22 LEU 7 HD22 LEU 7 24.268 -3.227 4.639 67 HD23 LEU 7 HD23 LEU 7 24.158 -4.499 5.913 68 H LYS 8 HN LYS 8 29.510 -3.325 3.236 69 HA LYS 8 HA LYS 8 29.723 -2.701 0.365 70 HB2 LYS 8 HB2 LYS 8 29.756 -0.698 1.782 71 HB3 LYS 8 HB1 LYS 8 31.019 -1.397 2.836 72 HG2 LYS 8 HG2 LYS 8 31.587 -1.023 -0.154 73 HG3 LYS 8 HG1 LYS 8 31.530 0.402 0.938 74 HD2 LYS 8 HD2 LYS 8 33.258 -0.646 2.430 75 HD3 LYS 8 HD1 LYS 8 33.396 -2.021 1.287 76 HE2 LYS 8 HE2 LYS 8 35.236 -0.416 0.899 77 HE3 LYS 8 HE1 LYS 8 34.132 -0.422 -0.536 78 HZ1 LYS 8 HZ1 LYS 8 34.774 1.785 0.115 79 HZ2 LYS 8 HZ2 LYS 8 34.146 1.565 1.678 80 HZ3 LYS 8 HZ3 LYS 8 33.103 1.571 0.337 81 H GLU 9 HN GLU 9 31.152 -3.986 -0.710 82 HA GLU 9 HA GLU 9 32.871 -5.737 0.860 83 HB2 GLU 9 HB2 GLU 9 33.052 -7.077 -1.234 84 HB3 GLU 9 HB1 GLU 9 31.375 -6.968 -0.597 85 HG2 GLU 9 HG2 GLU 9 30.794 -5.219 -2.265 86 HG3 GLU 9 HG1 GLU 9 32.476 -5.243 -2.909 87 H MET 10 HN MET 10 35.086 -6.074 -0.056 88 HA MET 10 HA MET 10 36.079 -3.663 -1.443 89 HB2 MET 10 HB2 MET 10 37.386 -5.148 0.873 90 HB3 MET 10 HB1 MET 10 38.180 -3.890 -0.146 91 HG2 MET 10 HG2 MET 10 36.443 -2.240 0.544 92 HG3 MET 10 HG1 MET 10 35.635 -3.495 1.527 93 HE1 MET 10 HE1 MET 10 39.322 -2.201 0.835 94 HE2 MET 10 HE2 MET 10 39.662 -1.302 2.349 95 HE3 MET 10 HE3 MET 10 38.341 -0.760 1.259 96 HA PRO 11 HA PRO 11 37.556 -7.369 -3.666 97 HB2 PRO 11 HB2 PRO 11 36.956 -6.571 -6.257 98 HB3 PRO 11 HB1 PRO 11 35.695 -7.214 -5.138 99 HG2 PRO 11 HG1 PRO 11 36.361 -4.272 -5.692 100 HG3 PRO 11 HG2 PRO 11 34.736 -5.080 -5.744 101 HD2 PRO 11 HD1 PRO 11 35.650 -3.714 -3.502 102 HD3 PRO 11 HD2 PRO 11 34.648 -5.211 -3.324 103 H GLU 12 HN GLU 12 38.678 -4.316 -2.997 104 HA GLU 12 HA GLU 12 41.186 -4.789 -4.151 105 HB2 GLU 12 HB2 GLU 12 40.154 -3.706 -6.179 106 HB3 GLU 12 HB1 GLU 12 39.581 -2.345 -5.159 107 HG2 GLU 12 HG2 GLU 12 41.969 -1.700 -4.667 108 HG3 GLU 12 HG1 GLU 12 42.546 -3.125 -5.609 109 H MET 13 HN MET 13 42.378 -4.254 -2.441 110 HA MET 13 HA MET 13 41.430 -2.155 -0.608 111 HB2 MET 13 HB2 MET 13 43.446 -4.424 -0.168 112 HB3 MET 13 HB1 MET 13 43.006 -3.150 1.033 113 HG2 MET 13 HG2 MET 13 40.581 -3.991 0.848 114 HG3 MET 13 HG1 MET 13 41.191 -5.336 -0.157 115 HE1 MET 13 HE1 MET 13 42.421 -3.443 3.168 116 HE2 MET 13 HE2 MET 13 41.804 -4.592 4.399 117 HE3 MET 13 HE3 MET 13 40.657 -3.762 3.294 118 H GLU 14 HN GLU 14 42.858 -0.416 -0.152 119 HA GLU 14 HA GLU 14 45.381 -0.265 -1.549 120 HB2 GLU 14 HB2 GLU 14 44.702 1.618 -3.003 121 HB3 GLU 14 HB1 GLU 14 43.658 0.197 -3.347 122 HG2 GLU 14 HG2 GLU 14 41.798 1.169 -1.999 123 HG3 GLU 14 HG1 GLU 14 42.808 2.598 -1.582 124 H ASP 15 HN ASP 15 42.947 0.821 0.651 125 HA ASP 15 HA ASP 15 44.464 3.149 1.440 126 HB2 ASP 15 HB2 ASP 15 42.788 3.652 3.030 127 HB3 ASP 15 HB1 ASP 15 42.001 3.287 1.467 128 H GLU 16 HN GLU 16 44.269 -0.217 2.109 129 HA GLU 16 HA GLU 16 45.494 -0.360 4.610 130 HB2 GLU 16 HB2 GLU 16 44.333 -2.236 3.232 131 HB3 GLU 16 HB1 GLU 16 45.798 -2.285 2.219 132 HG2 GLU 16 HG2 GLU 16 45.976 -4.086 3.834 133 HG3 GLU 16 HG1 GLU 16 47.155 -2.828 4.354 134 H PHE 17 HN PHE 17 46.674 -0.004 1.243 135 HA PHE 17 HA PHE 17 49.418 -0.190 1.794 136 HB2 PHE 17 HB2 PHE 17 48.529 -0.520 -0.498 137 HB3 PHE 17 HB1 PHE 17 47.881 1.143 -0.513 138 HD1 PHE 17 HD1 PHE 17 51.054 -0.831 -0.384 139 HD2 PHE 17 HD2 PHE 17 49.233 2.976 -1.143 140 HE1 PHE 17 HE1 PHE 17 53.181 -0.010 -1.346 141 HE2 PHE 17 HE2 PHE 17 51.383 3.817 -2.044 142 HZ PHE 17 HZ PHE 17 53.379 2.349 -2.063 143 H LEU 18 HN LEU 18 47.074 2.537 1.742 144 HA LEU 18 HA LEU 18 49.020 4.548 1.867 145 HB2 LEU 18 HB2 LEU 18 46.016 4.372 2.316 146 HB3 LEU 18 HB1 LEU 18 46.829 5.912 2.641 147 HG LEU 18 HG LEU 18 47.043 4.405 -0.036 148 HD11 LEU 18 HD11 LEU 18 44.664 5.043 0.436 149 HD12 LEU 18 HD12 LEU 18 45.360 5.966 -0.939 150 HD13 LEU 18 HD13 LEU 18 45.172 6.757 0.672 151 HD21 LEU 18 HD21 LEU 18 48.922 6.002 0.331 152 HD22 LEU 18 HD22 LEU 18 47.745 7.325 0.674 153 HD23 LEU 18 HD23 LEU 18 47.822 6.575 -0.964 154 H GLU 19 HN GLU 19 47.722 2.500 4.404 155 HA GLU 19 HA GLU 19 48.432 4.485 6.460 156 HB2 GLU 19 HB2 GLU 19 47.006 1.800 6.645 157 HB3 GLU 19 HB1 GLU 19 47.466 2.810 8.061 158 HG2 GLU 19 HG2 GLU 19 45.540 3.652 5.795 159 HG3 GLU 19 HG1 GLU 19 45.105 3.153 7.466 160 H TYR 20 HN TYR 20 49.600 1.711 4.762 161 HA TYR 20 HA TYR 20 51.482 0.808 6.755 162 HB2 TYR 20 HB2 TYR 20 50.835 0.264 3.802 163 HB3 TYR 20 HB1 TYR 20 52.361 -0.308 4.391 164 HD1 TYR 20 HD1 TYR 20 49.173 -0.354 6.414 165 HD2 TYR 20 HD2 TYR 20 52.319 -2.556 4.510 166 HE1 TYR 20 HE1 TYR 20 48.375 -2.423 7.498 167 HE2 TYR 20 HE2 TYR 20 51.497 -4.645 5.538 168 HH TYR 20 HH TYR 20 49.976 -5.588 6.907 169 H CYS 21 HN CYS 21 51.201 3.126 4.245 170 HA CYS 21 HA CYS 21 53.892 3.174 3.538 171 HB2 CYS 21 HB2 CYS 21 51.693 5.269 3.108 172 HB3 CYS 21 HB1 CYS 21 53.378 5.627 2.632 173 HG CYS 21 HG1 CYS 21 51.566 3.084 1.647 174 H ALA 22 HN ALA 22 52.275 4.317 6.306 175 HA ALA 22 HA ALA 22 53.788 6.545 7.067 176 HB1 ALA 22 HB1 ALA 22 52.766 6.143 9.309 177 HB2 ALA 22 HB2 ALA 22 52.219 4.510 8.758 178 HB3 ALA 22 HB3 ALA 22 51.537 5.992 7.998 179 H LYS 23 HN LYS 23 54.550 3.180 6.896 180 HA LYS 23 HA LYS 23 56.886 3.455 8.617 181 HB2 LYS 23 HB2 LYS 23 55.637 1.278 8.722 182 HB3 LYS 23 HB1 LYS 23 55.887 1.064 6.962 183 HG2 LYS 23 HG2 LYS 23 58.408 1.036 7.381 184 HG3 LYS 23 HG1 LYS 23 58.079 1.254 9.133 185 HD2 LYS 23 HD2 LYS 23 58.574 -1.072 8.716 186 HD3 LYS 23 HD1 LYS 23 56.832 -0.935 9.149 187 HE2 LYS 23 HE2 LYS 23 56.211 -1.167 6.710 188 HE3 LYS 23 HE1 LYS 23 57.966 -1.240 6.275 189 HZ1 LYS 23 HZ1 LYS 23 56.515 -3.160 8.019 190 HZ2 LYS 23 HZ2 LYS 23 58.158 -3.230 7.593 191 HZ3 LYS 23 HZ3 LYS 23 56.966 -3.402 6.399 192 H ASN 24 HN ASN 24 57.555 5.227 7.328 193 HA ASN 24 HA ASN 24 58.212 4.939 4.640 194 HB2 ASN 24 HB2 ASN 24 59.327 7.019 6.603 195 HB3 ASN 24 HB1 ASN 24 59.469 7.077 4.819 196 HD21 ASN 24 HD21 ASN 24 56.135 8.218 4.245 197 HD22 ASN 24 HD22 ASN 24 57.574 7.552 3.546 198 HA PRO 25 HA PRO 25 62.726 4.427 6.263 199 HB2 PRO 25 HB2 PRO 25 61.903 2.335 8.395 200 HB3 PRO 25 HB1 PRO 25 63.434 3.319 8.387 201 HG2 PRO 25 HG1 PRO 25 61.308 4.088 9.927 202 HG3 PRO 25 HG2 PRO 25 62.214 5.328 8.960 203 HD2 PRO 25 HD1 PRO 25 59.480 4.103 8.323 204 HD3 PRO 25 HD2 PRO 25 60.157 5.754 7.998 205 H SER 26 HN SER 26 60.337 1.987 5.846 206 HA SER 26 HA SER 26 62.177 0.325 4.323 207 HB2 SER 26 HB2 SER 26 60.308 -0.460 6.624 208 HB3 SER 26 HB1 SER 26 60.749 -1.672 5.330 209 HG SER 26 HG1 SER 26 62.087 -1.798 7.119 210 H TYR 27 HN TYR 27 61.236 1.726 2.723 211 HA TYR 27 HA TYR 27 58.430 1.599 2.211 212 HB2 TYR 27 HB2 TYR 27 58.785 3.007 0.402 213 HB3 TYR 27 HB1 TYR 27 59.965 3.603 1.631 214 HD1 TYR 27 HD1 TYR 27 62.383 2.029 1.258 215 HD2 TYR 27 HD2 TYR 27 59.551 3.331 -1.705 216 HE1 TYR 27 HE1 TYR 27 64.086 1.741 -0.495 217 HE2 TYR 27 HE2 TYR 27 61.209 2.965 -3.465 218 HH TYR 27 HH TYR 27 63.328 2.330 -3.961 219 H GLU 28 HN GLU 28 61.298 -0.066 1.505 220 HA GLU 28 HA GLU 28 60.903 -1.453 -0.801 221 HB2 GLU 28 HB2 GLU 28 62.410 -3.222 0.584 222 HB3 GLU 28 HB1 GLU 28 63.068 -1.661 0.004 223 HG2 GLU 28 HG2 GLU 28 62.861 -0.579 2.146 224 HG3 GLU 28 HG1 GLU 28 61.915 -1.928 2.859 225 H GLU 29 HN GLU 29 59.862 -2.279 2.569 226 HA GLU 29 HA GLU 29 58.832 -4.801 1.815 227 HB2 GLU 29 HB2 GLU 29 58.312 -3.058 4.281 228 HB3 GLU 29 HB1 GLU 29 57.735 -4.756 4.081 229 HG2 GLU 29 HG2 GLU 29 60.102 -5.552 3.872 230 HG3 GLU 29 HG1 GLU 29 60.698 -3.866 4.077 231 H ALA 30 HN ALA 30 57.479 -1.489 1.845 232 HA ALA 30 HA ALA 30 54.773 -2.410 1.719 233 HB1 ALA 30 HB1 ALA 30 54.211 -0.012 1.287 234 HB2 ALA 30 HB2 ALA 30 55.967 0.363 1.100 235 HB3 ALA 30 HB3 ALA 30 55.322 -0.170 2.693 236 H TYR 31 HN TYR 31 57.368 -1.882 -0.628 237 HA TYR 31 HA TYR 31 55.573 -1.737 -2.889 238 HB2 TYR 31 HB2 TYR 31 57.782 -0.648 -3.126 239 HB3 TYR 31 HB1 TYR 31 58.584 -2.047 -2.454 240 HD1 TYR 31 HD1 TYR 31 56.043 -1.868 -5.243 241 HD2 TYR 31 HD2 TYR 31 60.093 -2.729 -4.129 242 HE1 TYR 31 HE1 TYR 31 56.409 -2.895 -7.445 243 HE2 TYR 31 HE2 TYR 31 60.508 -3.675 -6.370 244 HH TYR 31 HH TYR 31 57.889 -3.881 -8.829 245 H LEU 32 HN LEU 32 57.879 -4.099 -1.476 246 HA LEU 32 HA LEU 32 57.377 -6.011 -3.433 247 HB2 LEU 32 HB2 LEU 32 58.721 -6.150 -0.690 248 HB3 LEU 32 HB1 LEU 32 58.792 -7.486 -1.882 249 HG LEU 32 HG LEU 32 59.727 -4.606 -2.504 250 HD11 LEU 32 HD11 LEU 32 62.053 -5.350 -2.042 251 HD12 LEU 32 HD12 LEU 32 61.459 -6.973 -1.520 252 HD13 LEU 32 HD13 LEU 32 61.035 -5.505 -0.562 253 HD21 LEU 32 HD21 LEU 32 60.345 -7.289 -3.903 254 HD22 LEU 32 HD22 LEU 32 61.041 -5.681 -4.330 255 HD23 LEU 32 HD23 LEU 32 59.278 -5.976 -4.528 256 H LYS 33 HN LYS 33 55.892 -5.533 -0.260 257 HA LYS 33 HA LYS 33 54.718 -8.094 -0.029 258 HB2 LYS 33 HB2 LYS 33 54.958 -6.480 1.918 259 HB3 LYS 33 HB1 LYS 33 53.800 -5.396 1.129 260 HG2 LYS 33 HG2 LYS 33 52.508 -7.996 1.323 261 HG3 LYS 33 HG1 LYS 33 53.315 -7.681 2.892 262 HD2 LYS 33 HD2 LYS 33 52.201 -5.465 3.049 263 HD3 LYS 33 HD1 LYS 33 51.471 -5.718 1.414 264 HE2 LYS 33 HE2 LYS 33 50.054 -7.520 2.211 265 HE3 LYS 33 HE1 LYS 33 50.840 -7.512 3.851 266 HZ1 LYS 33 HZ1 LYS 33 48.744 -6.360 3.827 267 HZ2 LYS 33 HZ2 LYS 33 49.284 -5.295 2.620 268 HZ3 LYS 33 HZ3 LYS 33 50.010 -5.277 4.155 269 H PHE 34 HN PHE 34 53.502 -4.889 -1.163 270 HA PHE 34 HA PHE 34 50.938 -5.907 -1.901 271 HB2 PHE 34 HB2 PHE 34 52.331 -3.175 -2.270 272 HB3 PHE 34 HB1 PHE 34 50.696 -3.512 -2.892 273 HD1 PHE 34 HD1 PHE 34 52.736 -3.487 0.243 274 HD2 PHE 34 HD2 PHE 34 48.790 -3.407 -1.445 275 HE1 PHE 34 HE1 PHE 34 51.828 -2.970 2.439 276 HE2 PHE 34 HE2 PHE 34 47.863 -2.871 0.790 277 HZ PHE 34 HZ PHE 34 49.399 -2.599 2.744 278 H GLY 35 HN GLY 35 53.010 -3.889 -3.995 279 HA2 GLY 35 HA2 GLY 35 54.234 -5.523 -5.585 280 HA3 GLY 35 HA1 GLY 35 52.554 -5.575 -6.279 281 H ASP 36 HN ASP 36 52.508 -4.268 -8.007 282 HA ASP 36 HA ASP 36 54.202 -2.037 -8.260 283 HB2 ASP 36 HB2 ASP 36 51.807 -2.965 -9.933 284 HB3 ASP 36 HB1 ASP 36 52.932 -1.644 -10.426 285 H LYS 37 HN LYS 37 51.646 -2.262 -6.276 286 HA LYS 37 HA LYS 37 50.050 -0.056 -6.590 287 HB2 LYS 37 HB2 LYS 37 49.714 -1.971 -4.997 288 HB3 LYS 37 HB1 LYS 37 51.091 -1.375 -4.051 289 HG2 LYS 37 HG2 LYS 37 48.993 -0.721 -2.988 290 HG3 LYS 37 HG1 LYS 37 49.891 0.734 -3.539 291 HD2 LYS 37 HD2 LYS 37 47.529 1.055 -3.892 292 HD3 LYS 37 HD1 LYS 37 48.351 0.969 -5.485 293 HE2 LYS 37 HE2 LYS 37 47.528 -1.411 -5.765 294 HE3 LYS 37 HE1 LYS 37 46.733 -1.314 -4.139 295 HZ1 LYS 37 HZ1 LYS 37 45.204 -0.903 -5.930 296 HZ2 LYS 37 HZ2 LYS 37 46.133 0.402 -6.493 297 HZ3 LYS 37 HZ3 LYS 37 45.381 0.487 -4.972 298 H LEU 38 HN LEU 38 53.295 -0.418 -5.046 299 HA LEU 38 HA LEU 38 53.341 2.301 -4.130 300 HB2 LEU 38 HB2 LEU 38 54.645 0.370 -2.962 301 HB3 LEU 38 HB1 LEU 38 55.643 0.257 -4.366 302 HG LEU 38 HG LEU 38 55.445 3.022 -3.178 303 HD11 LEU 38 HD11 LEU 38 55.384 1.671 -1.096 304 HD12 LEU 38 HD12 LEU 38 56.950 2.546 -1.268 305 HD13 LEU 38 HD13 LEU 38 56.859 0.781 -1.619 306 HD21 LEU 38 HD21 LEU 38 57.933 2.987 -3.532 307 HD22 LEU 38 HD22 LEU 38 57.024 2.530 -5.025 308 HD23 LEU 38 HD23 LEU 38 57.823 1.254 -4.030 309 H LEU 39 HN LEU 39 54.436 0.613 -7.075 310 HA LEU 39 HA LEU 39 56.148 2.641 -7.933 311 HB2 LEU 39 HB2 LEU 39 54.544 0.648 -9.617 312 HB3 LEU 39 HB1 LEU 39 55.918 1.642 -10.196 313 HG LEU 39 HG LEU 39 55.996 -0.563 -8.052 314 HD11 LEU 39 HD11 LEU 39 55.724 -1.369 -10.397 315 HD12 LEU 39 HD12 LEU 39 57.337 -1.819 -9.723 316 HD13 LEU 39 HD13 LEU 39 57.194 -0.446 -10.888 317 HD21 LEU 39 HD21 LEU 39 58.325 1.164 -9.113 318 HD22 LEU 39 HD22 LEU 39 58.498 -0.321 -8.105 319 HD23 LEU 39 HD23 LEU 39 57.688 1.130 -7.423 320 H GLU 40 HN GLU 40 52.657 2.049 -8.621 321 HA GLU 40 HA GLU 40 52.463 4.230 -10.417 322 HB2 GLU 40 HB2 GLU 40 49.988 3.887 -10.213 323 HB3 GLU 40 HB1 GLU 40 50.893 2.399 -10.681 324 HG2 GLU 40 HG2 GLU 40 50.733 1.581 -8.313 325 HG3 GLU 40 HG1 GLU 40 49.878 3.065 -7.842 326 H TYR 41 HN TYR 41 51.888 3.914 -6.878 327 HA TYR 41 HA TYR 41 50.473 6.395 -6.691 328 HB2 TYR 41 HB2 TYR 41 51.572 4.261 -4.783 329 HB3 TYR 41 HB1 TYR 41 51.229 5.846 -4.099 330 HD1 TYR 41 HD1 TYR 41 49.579 5.059 -2.606 331 HD2 TYR 41 HD2 TYR 41 48.973 4.636 -6.862 332 HE1 TYR 41 HE1 TYR 41 47.226 4.462 -2.238 333 HE2 TYR 41 HE2 TYR 41 46.641 4.067 -6.476 334 HH TYR 41 HH TYR 41 45.005 3.748 -4.961 335 H GLU 42 HN GLU 42 53.770 5.404 -6.839 336 HA GLU 42 HA GLU 42 54.934 7.703 -5.580 337 HB2 GLU 42 HB2 GLU 42 56.005 5.478 -5.673 338 HB3 GLU 42 HB1 GLU 42 56.170 5.598 -7.454 339 HG2 GLU 42 HG2 GLU 42 57.457 7.477 -5.363 340 HG3 GLU 42 HG1 GLU 42 58.262 6.029 -6.057 341 H LEU 43 HN LEU 43 54.346 6.573 -8.918 342 HA LEU 43 HA LEU 43 55.361 8.880 -10.188 343 HB2 LEU 43 HB2 LEU 43 53.534 6.560 -11.022 344 HB3 LEU 43 HB1 LEU 43 54.053 7.800 -12.197 345 HG LEU 43 HG LEU 43 55.987 6.035 -10.582 346 HD11 LEU 43 HD11 LEU 43 54.569 4.635 -12.066 347 HD12 LEU 43 HD12 LEU 43 56.274 4.690 -12.649 348 HD13 LEU 43 HD13 LEU 43 55.005 5.667 -13.481 349 HD21 LEU 43 HD21 LEU 43 56.484 7.842 -13.033 350 HD22 LEU 43 HD22 LEU 43 57.686 6.730 -12.276 351 HD23 LEU 43 HD23 LEU 43 57.061 8.137 -11.348 352 H LEU 44 HN LEU 44 52.346 8.149 -8.604 353 HA LEU 44 HA LEU 44 50.725 9.926 -10.117 354 HB2 LEU 44 HB2 LEU 44 49.778 7.920 -9.197 355 HB3 LEU 44 HB1 LEU 44 50.312 8.373 -7.553 356 HG LEU 44 HG LEU 44 48.667 10.090 -7.376 357 HD11 LEU 44 HD11 LEU 44 47.013 10.652 -9.200 358 HD12 LEU 44 HD12 LEU 44 47.939 9.612 -10.347 359 HD13 LEU 44 HD13 LEU 44 48.691 11.102 -9.660 360 HD21 LEU 44 HD21 LEU 44 47.365 7.633 -8.710 361 HD22 LEU 44 HD22 LEU 44 46.569 8.782 -7.568 362 HD23 LEU 44 HD23 LEU 44 47.926 7.734 -7.001 363 H GLY 45 HN GLY 45 51.360 9.964 -6.516 364 HA2 GLY 45 HA2 GLY 45 52.836 11.952 -6.020 365 HA3 GLY 45 HA1 GLY 45 51.438 12.890 -6.686 366 H LYS 46 HN LYS 46 50.985 9.862 -4.950 367 HA LYS 46 HA LYS 46 49.635 11.272 -2.779 368 HB2 LYS 46 HB2 LYS 46 49.810 8.302 -3.460 369 HB3 LYS 46 HB1 LYS 46 48.825 9.015 -2.137 370 HG2 LYS 46 HG2 LYS 46 47.553 10.355 -3.904 371 HG3 LYS 46 HG1 LYS 46 48.524 9.523 -5.164 372 HD2 LYS 46 HD2 LYS 46 46.467 8.410 -5.150 373 HD3 LYS 46 HD1 LYS 46 47.595 7.298 -4.301 374 HE2 LYS 46 HE2 LYS 46 46.598 8.010 -2.090 375 HE3 LYS 46 HE1 LYS 46 45.552 9.211 -2.950 376 HZ1 LYS 46 HZ1 LYS 46 44.385 7.189 -2.448 377 HZ2 LYS 46 HZ2 LYS 46 45.500 6.263 -3.333 378 HZ3 LYS 46 HZ3 LYS 46 44.518 7.398 -4.128 379 H ILE 47 HN ILE 47 52.291 9.128 -3.660 380 HA ILE 47 HA ILE 47 53.782 9.839 -1.245 381 HB ILE 47 HB ILE 47 54.934 7.655 -1.447 382 HG12 ILE 47 HG12 ILE 47 52.518 6.997 -3.242 383 HG13 ILE 47 HG11 ILE 47 54.207 7.180 -3.798 384 HG21 ILE 47 HG21 ILE 47 53.143 8.147 0.292 385 HG22 ILE 47 HG22 ILE 47 53.296 6.410 -0.172 386 HG23 ILE 47 HG23 ILE 47 51.925 7.386 -0.818 387 HD11 ILE 47 HD1 ILE 47 54.922 5.334 -2.453 388 HD12 ILE 47 HD2 ILE 47 53.647 4.794 -3.599 389 HD13 ILE 47 HD3 ILE 47 53.257 5.001 -1.846 390 H LYS 48 HN LYS 48 56.218 9.616 -1.902 391 HA LYS 48 HA LYS 48 56.688 9.499 -4.734 392 HB2 LYS 48 HB2 LYS 48 57.786 11.834 -3.021 393 HB3 LYS 48 HB1 LYS 48 58.210 11.531 -4.735 394 HG2 LYS 48 HG2 LYS 48 55.874 12.039 -5.424 395 HG3 LYS 48 HG1 LYS 48 55.425 12.364 -3.712 396 HD2 LYS 48 HD2 LYS 48 57.557 13.906 -5.310 397 HD3 LYS 48 HD1 LYS 48 55.857 14.438 -5.031 398 HE2 LYS 48 HE2 LYS 48 56.292 14.468 -2.535 399 HE3 LYS 48 HE1 LYS 48 58.018 14.014 -2.852 400 HZ1 LYS 48 HZ1 LYS 48 58.251 16.025 -4.143 401 HZ2 LYS 48 HZ2 LYS 48 57.750 16.362 -2.556 402 HZ3 LYS 48 HZ3 LYS 48 56.637 16.455 -3.835 403 H ARG 49 HN ARG 49 59.167 9.307 -5.041 404 HA ARG 49 HA ARG 49 60.617 8.708 -2.601 405 HB2 ARG 49 HB2 ARG 49 59.626 6.505 -3.189 406 HB3 ARG 49 HB1 ARG 49 60.373 6.586 -4.815 407 HG2 ARG 49 HG2 ARG 49 62.147 6.941 -2.349 408 HG3 ARG 49 HG1 ARG 49 61.469 5.320 -2.675 409 HD2 ARG 49 HD2 ARG 49 62.552 5.253 -4.922 410 HD3 ARG 49 HD1 ARG 49 63.200 6.929 -4.670 411 HE ARG 49 HE ARG 49 63.882 4.938 -2.561 412 HH11 ARG 49 HH11 ARG 49 66.117 4.322 -2.377 413 HH12 ARG 49 HH12 ARG 49 67.259 4.799 -3.588 414 HH21 ARG 49 HH21 ARG 49 64.903 6.541 -5.598 415 HH22 ARG 49 HH22 ARG 49 66.562 6.074 -5.437 416 H ILE 50 HN ILE 50 62.780 9.362 -2.923 417 HA ILE 50 HA ILE 50 63.779 9.576 -5.584 418 HB ILE 50 HB ILE 50 62.509 11.678 -5.475 419 HG12 ILE 50 HG12 ILE 50 64.314 13.318 -5.912 420 HG13 ILE 50 HG11 ILE 50 65.544 12.178 -5.285 421 HG21 ILE 50 HG21 ILE 50 62.465 11.923 -2.972 422 HG22 ILE 50 HG22 ILE 50 62.984 13.425 -3.816 423 HG23 ILE 50 HG23 ILE 50 64.207 12.391 -3.001 424 HD11 ILE 50 HD1 ILE 50 65.413 12.200 -7.803 425 HD12 ILE 50 HD2 ILE 50 63.696 11.658 -7.717 426 HD13 ILE 50 HD3 ILE 50 65.020 10.573 -7.145 427 H ASN 51 HN ASN 51 64.032 9.968 -2.066 428 HA ASN 51 HA ASN 51 66.850 10.432 -2.168 429 HB2 ASN 51 HB2 ASN 51 64.948 9.996 0.225 430 HB3 ASN 51 HB1 ASN 51 66.671 10.534 0.326 431 HD21 ASN 51 HD21 ASN 51 63.775 13.293 -0.167 432 HD22 ASN 51 HD22 ASN 51 63.511 11.665 0.363 433 H HIS 52 HN HIS 52 65.674 8.327 0.364 434 HA HIS 52 HA HIS 52 67.135 6.044 -0.789 435 HB2 HIS 52 HB2 HIS 52 68.291 7.014 1.226 436 HB3 HIS 52 HB1 HIS 52 66.762 6.887 2.155 437 HD1 HIS 52 HD1 HIS 52 68.933 4.452 0.103 438 HD2 HIS 52 HD2 HIS 52 66.741 4.587 3.681 439 HE1 HIS 52 HE1 HIS 52 69.184 2.195 1.228 440 HE2 HIS 52 HE2 HIS 52 67.841 2.316 3.374 441 H ILE 53 HN ILE 53 64.323 7.416 0.891 442 HA ILE 53 HA ILE 53 62.899 4.857 0.734 443 HB ILE 53 HB ILE 53 61.807 5.486 2.884 444 HG12 ILE 53 HG12 ILE 53 64.254 7.331 3.265 445 HG13 ILE 53 HG11 ILE 53 62.599 7.908 2.853 446 HG21 ILE 53 HG21 ILE 53 63.595 4.431 4.236 447 HG22 ILE 53 HG22 ILE 53 64.798 4.758 2.938 448 HG23 ILE 53 HG23 ILE 53 63.419 3.628 2.647 449 HD11 ILE 53 HD1 ILE 53 61.730 6.652 4.878 450 HD12 ILE 53 HD2 ILE 53 62.777 8.085 5.253 451 HD13 ILE 53 HD3 ILE 53 63.439 6.413 5.407 452 H VAL 54 HN VAL 54 60.506 5.355 1.219 453 HA VAL 54 HA VAL 54 59.647 7.282 -0.672 454 HB VAL 54 HB VAL 54 58.668 4.981 -0.256 455 HG11 VAL 54 HG11 VAL 54 57.193 6.353 2.088 456 HG12 VAL 54 HG12 VAL 54 58.569 5.206 2.305 457 HG13 VAL 54 HG13 VAL 54 57.037 4.653 1.535 458 HG21 VAL 54 HG21 VAL 54 57.535 6.560 -1.714 459 HG22 VAL 54 HG22 VAL 54 56.740 7.361 -0.299 460 HG23 VAL 54 HG23 VAL 54 56.336 5.660 -0.721 461 H VAL 55 HN VAL 55 58.312 9.136 -0.183 462 HA VAL 55 HA VAL 55 58.225 9.972 2.628 463 HB VAL 55 HB VAL 55 58.171 12.326 1.834 464 HG11 VAL 55 HG11 VAL 55 60.732 10.755 1.091 465 HG12 VAL 55 HG12 VAL 55 60.245 11.263 2.753 466 HG13 VAL 55 HG13 VAL 55 60.629 12.506 1.504 467 HG21 VAL 55 HG21 VAL 55 59.053 11.144 -0.896 468 HG22 VAL 55 HG22 VAL 55 58.990 12.884 -0.459 469 HG23 VAL 55 HG23 VAL 55 57.469 11.940 -0.561 470 H LEU 56 HN LEU 56 56.166 10.836 3.229 471 HA LEU 56 HA LEU 56 53.991 10.058 1.459 472 HB2 LEU 56 HB2 LEU 56 54.010 11.400 4.213 473 HB3 LEU 56 HB1 LEU 56 52.530 10.886 3.349 474 HG LEU 56 HG LEU 56 54.602 8.736 3.800 475 HD11 LEU 56 HD11 LEU 56 54.015 8.380 6.159 476 HD12 LEU 56 HD12 LEU 56 52.967 9.845 6.165 477 HD13 LEU 56 HD13 LEU 56 54.751 10.006 5.943 478 HD21 LEU 56 HD21 LEU 56 52.458 8.187 2.725 479 HD22 LEU 56 HD22 LEU 56 51.544 8.840 4.140 480 HD23 LEU 56 HD23 LEU 56 52.578 7.380 4.339 481 H ALA 57 HN ALA 57 52.665 11.577 0.467 482 HA ALA 57 HA ALA 57 53.432 14.419 0.727 483 HB1 ALA 57 HB1 ALA 57 53.606 13.657 -1.648 484 HB2 ALA 57 HB2 ALA 57 52.232 14.799 -1.427 485 HB3 ALA 57 HB3 ALA 57 51.924 13.029 -1.575 486 H HIS 58 HN HIS 58 52.250 14.911 2.543 487 HA HIS 58 HA HIS 58 49.477 14.030 2.723 488 HB2 HIS 58 HB2 HIS 58 51.324 15.575 4.627 489 HB3 HIS 58 HB1 HIS 58 49.569 15.314 4.941 490 HD1 HIS 58 HD1 HIS 58 51.580 14.158 6.901 491 HD2 HIS 58 HD2 HIS 58 49.963 11.995 3.687 492 HE1 HIS 58 HE1 HIS 58 51.667 11.703 7.523 493 HE2 HIS 58 HE2 HIS 58 50.663 10.439 5.571 494 H HIS 59 HN HIS 59 47.813 15.330 2.187 495 HA HIS 59 HA HIS 59 48.473 18.035 1.239 496 HB2 HIS 59 HB2 HIS 59 46.192 16.164 0.374 497 HB3 HIS 59 HB1 HIS 59 46.515 17.821 -0.248 498 HD1 HIS 59 HD1 HIS 59 47.937 14.301 -0.340 499 HD2 HIS 59 HD2 HIS 59 48.554 18.013 -2.198 500 HE1 HIS 59 HE1 HIS 59 49.530 13.919 -2.274 501 HE2 HIS 59 HE2 HIS 59 49.879 16.180 -3.362 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 32.745 -22.559 -10.924 2 H2 MET 1 HT2 MET 1 34.338 -22.237 -11.416 3 H3 MET 1 HT3 MET 1 33.067 -21.240 -11.946 4 HA MET 1 HA MET 1 34.340 -20.188 -10.247 5 HB2 MET 1 HB2 MET 1 31.778 -19.893 -10.496 6 HB3 MET 1 HB1 MET 1 31.595 -21.030 -9.123 7 HG2 MET 1 HG2 MET 1 32.961 -19.371 -7.711 8 HG3 MET 1 HG1 MET 1 33.042 -18.304 -9.140 9 HE1 MET 1 HE1 MET 1 29.360 -19.295 -6.455 10 HE2 MET 1 HE2 MET 1 31.081 -19.699 -6.141 11 HE3 MET 1 HE3 MET 1 30.176 -20.556 -7.437 12 H LEU 2 HN LEU 2 35.198 -20.154 -8.061 13 HA LEU 2 HA LEU 2 35.752 -22.784 -6.999 14 HB2 LEU 2 HB2 LEU 2 36.698 -19.957 -6.295 15 HB3 LEU 2 HB1 LEU 2 36.979 -21.335 -5.183 16 HG LEU 2 HG LEU 2 38.168 -22.585 -6.952 17 HD11 LEU 2 HD11 LEU 2 39.141 -21.341 -8.922 18 HD12 LEU 2 HD12 LEU 2 38.042 -19.955 -8.571 19 HD13 LEU 2 HD13 LEU 2 37.363 -21.557 -9.054 20 HD21 LEU 2 HD21 LEU 2 39.358 -21.298 -5.192 21 HD22 LEU 2 HD22 LEU 2 39.360 -19.829 -6.239 22 HD23 LEU 2 HD23 LEU 2 40.289 -21.294 -6.736 23 H LYS 3 HN LYS 3 35.431 -23.216 -4.671 24 HA LYS 3 HA LYS 3 32.747 -22.457 -3.923 25 HB2 LYS 3 HB2 LYS 3 33.542 -24.819 -3.792 26 HB3 LYS 3 HB1 LYS 3 34.713 -24.364 -2.517 27 HG2 LYS 3 HG2 LYS 3 31.728 -23.731 -2.178 28 HG3 LYS 3 HG1 LYS 3 32.296 -25.427 -2.011 29 HD2 LYS 3 HD2 LYS 3 33.823 -24.841 -0.197 30 HD3 LYS 3 HD1 LYS 3 33.448 -23.097 -0.367 31 HE2 LYS 3 HE2 LYS 3 32.223 -24.009 1.565 32 HE3 LYS 3 HE1 LYS 3 31.046 -23.548 0.268 33 HZ1 LYS 3 HZ1 LYS 3 30.956 -25.859 -0.386 34 HZ2 LYS 3 HZ2 LYS 3 30.531 -25.665 1.247 35 HZ3 LYS 3 HZ3 LYS 3 32.057 -26.288 0.834 36 H ASP 4 HN ASP 4 32.292 -20.827 -2.529 37 HA ASP 4 HA ASP 4 34.520 -19.405 -1.316 38 HB2 ASP 4 HB2 ASP 4 31.514 -18.751 -1.513 39 HB3 ASP 4 HB1 ASP 4 32.740 -17.694 -0.718 40 H TYR 5 HN TYR 5 35.016 -19.621 0.805 41 HA TYR 5 HA TYR 5 33.401 -21.468 2.381 42 HB2 TYR 5 HB2 TYR 5 36.224 -20.411 2.823 43 HB3 TYR 5 HB1 TYR 5 35.409 -21.675 3.823 44 HD1 TYR 5 HD1 TYR 5 37.120 -20.953 0.636 45 HD2 TYR 5 HD2 TYR 5 34.981 -23.903 2.916 46 HE1 TYR 5 HE1 TYR 5 37.968 -22.720 -0.862 47 HE2 TYR 5 HE2 TYR 5 35.840 -25.677 1.432 48 HH TYR 5 HH TYR 5 37.094 -26.173 -0.371 49 H HIS 6 HN HIS 6 35.006 -20.144 4.695 50 HA HIS 6 HA HIS 6 33.075 -18.113 5.425 51 HB2 HIS 6 HB2 HIS 6 35.425 -19.426 6.846 52 HB3 HIS 6 HB1 HIS 6 34.422 -18.137 7.587 53 HD1 HIS 6 HD1 HIS 6 34.332 -20.539 9.187 54 HD2 HIS 6 HD2 HIS 6 31.835 -20.225 5.827 55 HE1 HIS 6 HE1 HIS 6 32.419 -22.168 9.514 56 HE2 HIS 6 HE2 HIS 6 30.937 -21.945 7.471 57 H LEU 7 HN LEU 7 35.709 -18.132 3.434 58 HA LEU 7 HA LEU 7 37.311 -16.135 4.624 59 HB2 LEU 7 HB2 LEU 7 37.149 -17.037 1.678 60 HB3 LEU 7 HB1 LEU 7 38.484 -16.070 2.393 61 HG LEU 7 HG LEU 7 37.734 -18.951 3.177 62 HD11 LEU 7 HD11 LEU 7 38.601 -18.823 0.854 63 HD12 LEU 7 HD12 LEU 7 39.776 -19.641 1.950 64 HD13 LEU 7 HD13 LEU 7 40.062 -17.936 1.432 65 HD21 LEU 7 HD21 LEU 7 38.810 -17.781 5.079 66 HD22 LEU 7 HD22 LEU 7 40.162 -17.241 4.010 67 HD23 LEU 7 HD23 LEU 7 39.930 -18.995 4.366 68 H LYS 8 HN LYS 8 37.737 -13.986 3.573 69 HA LYS 8 HA LYS 8 35.221 -12.678 3.094 70 HB2 LYS 8 HB2 LYS 8 36.492 -10.582 3.218 71 HB3 LYS 8 HB1 LYS 8 36.874 -11.638 4.611 72 HG2 LYS 8 HG2 LYS 8 39.018 -12.335 3.530 73 HG3 LYS 8 HG1 LYS 8 38.628 -11.326 2.096 74 HD2 LYS 8 HD2 LYS 8 38.551 -9.284 3.616 75 HD3 LYS 8 HD1 LYS 8 39.091 -10.334 4.971 76 HE2 LYS 8 HE2 LYS 8 41.036 -9.124 4.051 77 HE3 LYS 8 HE1 LYS 8 41.208 -10.881 3.649 78 HZ1 LYS 8 HZ1 LYS 8 41.727 -9.467 1.794 79 HZ2 LYS 8 HZ2 LYS 8 40.188 -8.748 1.841 80 HZ3 LYS 8 HZ3 LYS 8 40.345 -10.394 1.455 81 H GLU 9 HN GLU 9 35.467 -10.771 1.305 82 HA GLU 9 HA GLU 9 36.121 -12.105 -1.192 83 HB2 GLU 9 HB2 GLU 9 35.084 -10.084 -2.253 84 HB3 GLU 9 HB1 GLU 9 33.955 -11.044 -1.243 85 HG2 GLU 9 HG2 GLU 9 34.118 -9.446 0.621 86 HG3 GLU 9 HG1 GLU 9 35.367 -8.481 -0.246 87 H MET 10 HN MET 10 37.631 -11.110 -2.668 88 HA MET 10 HA MET 10 39.411 -9.111 -1.439 89 HB2 MET 10 HB2 MET 10 40.073 -11.444 -3.308 90 HB3 MET 10 HB1 MET 10 41.170 -10.058 -2.998 91 HG2 MET 10 HG2 MET 10 41.966 -11.742 -1.591 92 HG3 MET 10 HG1 MET 10 41.116 -10.545 -0.566 93 HE1 MET 10 HE1 MET 10 39.461 -13.521 -2.764 94 HE2 MET 10 HE2 MET 10 39.584 -14.862 -1.580 95 HE3 MET 10 HE3 MET 10 41.078 -14.100 -2.226 96 HA PRO 11 HA PRO 11 37.679 -7.390 -5.319 97 HB2 PRO 11 HB2 PRO 11 37.010 -4.866 -4.416 98 HB3 PRO 11 HB1 PRO 11 35.966 -6.313 -4.176 99 HG2 PRO 11 HG1 PRO 11 37.894 -5.071 -2.156 100 HG3 PRO 11 HG2 PRO 11 36.184 -5.615 -1.902 101 HD2 PRO 11 HD1 PRO 11 38.407 -7.202 -1.272 102 HD3 PRO 11 HD2 PRO 11 36.840 -7.910 -1.837 103 H GLU 12 HN GLU 12 39.077 -4.577 -3.549 104 HA GLU 12 HA GLU 12 41.644 -4.882 -4.803 105 HB2 GLU 12 HB2 GLU 12 39.783 -2.483 -5.399 106 HB3 GLU 12 HB1 GLU 12 41.564 -2.491 -5.674 107 HG2 GLU 12 HG2 GLU 12 41.290 -4.362 -7.340 108 HG3 GLU 12 HG1 GLU 12 39.504 -4.308 -7.087 109 H MET 13 HN MET 13 42.701 -4.786 -2.871 110 HA MET 13 HA MET 13 41.846 -2.847 -0.857 111 HB2 MET 13 HB2 MET 13 43.792 -5.154 -0.803 112 HB3 MET 13 HB1 MET 13 43.679 -3.916 0.511 113 HG2 MET 13 HG2 MET 13 41.371 -5.722 -0.451 114 HG3 MET 13 HG1 MET 13 42.416 -5.973 0.974 115 HE1 MET 13 HE1 MET 13 38.534 -3.707 0.767 116 HE2 MET 13 HE2 MET 13 39.046 -5.331 0.193 117 HE3 MET 13 HE3 MET 13 39.587 -3.857 -0.680 118 H GLU 14 HN GLU 14 43.166 -1.069 -0.316 119 HA GLU 14 HA GLU 14 45.667 -0.623 -1.637 120 HB2 GLU 14 HB2 GLU 14 44.912 1.191 -3.123 121 HB3 GLU 14 HB1 GLU 14 44.033 -0.315 -3.536 122 HG2 GLU 14 HG2 GLU 14 42.001 0.467 -2.319 123 HG3 GLU 14 HG1 GLU 14 42.839 1.983 -1.836 124 H ASP 15 HN ASP 15 43.002 0.196 0.396 125 HA ASP 15 HA ASP 15 44.053 2.726 1.235 126 HB2 ASP 15 HB2 ASP 15 42.227 2.839 2.797 127 HB3 ASP 15 HB1 ASP 15 41.613 2.371 1.186 128 H GLU 16 HN GLU 16 44.279 -0.644 2.104 129 HA GLU 16 HA GLU 16 45.500 -0.523 4.593 130 HB2 GLU 16 HB2 GLU 16 44.644 -2.614 3.482 131 HB3 GLU 16 HB1 GLU 16 45.935 -2.471 2.245 132 HG2 GLU 16 HG2 GLU 16 47.672 -2.720 4.115 133 HG3 GLU 16 HG1 GLU 16 46.321 -2.971 5.279 134 H PHE 17 HN PHE 17 46.788 -0.340 1.215 135 HA PHE 17 HA PHE 17 49.474 -0.137 1.878 136 HB2 PHE 17 HB2 PHE 17 48.685 -0.628 -0.446 137 HB3 PHE 17 HB1 PHE 17 47.995 1.020 -0.564 138 HD1 PHE 17 HD1 PHE 17 51.183 -0.915 -0.358 139 HD2 PHE 17 HD2 PHE 17 49.376 2.919 -0.963 140 HE1 PHE 17 HE1 PHE 17 53.340 -0.038 -1.210 141 HE2 PHE 17 HE2 PHE 17 51.541 3.811 -1.761 142 HZ PHE 17 HZ PHE 17 53.543 2.357 -1.809 143 H LEU 18 HN LEU 18 46.903 2.376 1.567 144 HA LEU 18 HA LEU 18 48.603 4.551 1.642 145 HB2 LEU 18 HB2 LEU 18 45.723 4.024 1.657 146 HB3 LEU 18 HB1 LEU 18 46.054 5.380 2.753 147 HG LEU 18 HG LEU 18 46.905 5.165 -0.189 148 HD11 LEU 18 HD11 LEU 18 44.716 6.886 1.131 149 HD12 LEU 18 HD12 LEU 18 44.456 5.433 0.092 150 HD13 LEU 18 HD13 LEU 18 45.191 6.923 -0.609 151 HD21 LEU 18 HD21 LEU 18 47.279 7.522 1.761 152 HD22 LEU 18 HD22 LEU 18 47.503 7.604 -0.027 153 HD23 LEU 18 HD23 LEU 18 48.575 6.555 0.952 154 H GLU 19 HN GLU 19 47.453 2.543 4.324 155 HA GLU 19 HA GLU 19 48.047 4.692 6.254 156 HB2 GLU 19 HB2 GLU 19 46.779 1.944 6.630 157 HB3 GLU 19 HB1 GLU 19 47.103 3.129 7.944 158 HG2 GLU 19 HG2 GLU 19 45.204 3.541 5.541 159 HG3 GLU 19 HG1 GLU 19 44.758 3.240 7.257 160 H TYR 20 HN TYR 20 49.411 1.946 4.721 161 HA TYR 20 HA TYR 20 51.283 1.232 6.808 162 HB2 TYR 20 HB2 TYR 20 50.772 0.497 3.862 163 HB3 TYR 20 HB1 TYR 20 52.247 -0.030 4.621 164 HD1 TYR 20 HD1 TYR 20 49.012 0.001 6.559 165 HD2 TYR 20 HD2 TYR 20 52.033 -2.300 4.568 166 HE1 TYR 20 HE1 TYR 20 48.066 -2.058 7.521 167 HE2 TYR 20 HE2 TYR 20 51.077 -4.378 5.498 168 HH TYR 20 HH TYR 20 48.183 -4.307 7.630 169 H CYS 21 HN CYS 21 50.884 3.448 4.260 170 HA CYS 21 HA CYS 21 53.508 3.641 3.401 171 HB2 CYS 21 HB2 CYS 21 51.401 5.910 3.399 172 HB3 CYS 21 HB1 CYS 21 52.989 6.037 2.592 173 HG CYS 21 HG1 CYS 21 51.208 5.744 0.822 174 H ALA 22 HN ALA 22 51.862 4.835 6.197 175 HA ALA 22 HA ALA 22 53.373 7.026 6.982 176 HB1 ALA 22 HB1 ALA 22 52.249 6.656 9.188 177 HB2 ALA 22 HB2 ALA 22 51.765 4.996 8.657 178 HB3 ALA 22 HB3 ALA 22 51.075 6.434 7.834 179 H LYS 23 HN LYS 23 54.091 3.630 6.984 180 HA LYS 23 HA LYS 23 56.388 3.946 8.746 181 HB2 LYS 23 HB2 LYS 23 55.054 1.785 8.876 182 HB3 LYS 23 HB1 LYS 23 55.424 1.500 7.153 183 HG2 LYS 23 HG2 LYS 23 57.964 1.671 7.893 184 HG3 LYS 23 HG1 LYS 23 57.332 1.580 9.568 185 HD2 LYS 23 HD2 LYS 23 58.006 -0.632 8.931 186 HD3 LYS 23 HD1 LYS 23 56.206 -0.634 8.921 187 HE2 LYS 23 HE2 LYS 23 56.243 -0.412 6.391 188 HE3 LYS 23 HE1 LYS 23 58.052 -0.369 6.434 189 HZ1 LYS 23 HZ1 LYS 23 57.194 -2.534 5.904 190 HZ2 LYS 23 HZ2 LYS 23 56.331 -2.608 7.365 191 HZ3 LYS 23 HZ3 LYS 23 58.029 -2.569 7.380 192 H ASN 24 HN ASN 24 57.163 5.613 7.402 193 HA ASN 24 HA ASN 24 57.807 5.299 4.717 194 HB2 ASN 24 HB2 ASN 24 59.041 7.239 6.751 195 HB3 ASN 24 HB1 ASN 24 59.284 7.300 4.974 196 HD21 ASN 24 HD21 ASN 24 55.870 8.846 6.662 197 HD22 ASN 24 HD22 ASN 24 57.159 8.179 7.608 198 HA PRO 25 HA PRO 25 62.235 4.019 6.034 199 HB2 PRO 25 HB2 PRO 25 62.296 2.469 8.470 200 HB3 PRO 25 HB1 PRO 25 62.906 4.170 8.275 201 HG2 PRO 25 HG1 PRO 25 60.171 3.223 9.266 202 HG3 PRO 25 HG2 PRO 25 61.220 4.539 9.945 203 HD2 PRO 25 HD1 PRO 25 59.109 5.168 8.340 204 HD3 PRO 25 HD2 PRO 25 60.699 6.001 8.050 205 H SER 26 HN SER 26 62.948 2.046 5.169 206 HA SER 26 HA SER 26 62.800 0.131 4.216 207 HB2 SER 26 HB2 SER 26 61.178 -0.609 6.701 208 HB3 SER 26 HB1 SER 26 61.632 -1.819 5.420 209 HG SER 26 HG1 SER 26 63.092 -1.745 7.122 210 H TYR 27 HN TYR 27 61.687 1.630 2.727 211 HA TYR 27 HA TYR 27 58.891 1.521 2.433 212 HB2 TYR 27 HB2 TYR 27 59.136 2.932 0.601 213 HB3 TYR 27 HB1 TYR 27 60.449 3.461 1.709 214 HD1 TYR 27 HD1 TYR 27 62.655 1.459 0.984 215 HD2 TYR 27 HD2 TYR 27 59.825 3.543 -1.499 216 HE1 TYR 27 HE1 TYR 27 64.067 1.050 -0.980 217 HE2 TYR 27 HE2 TYR 27 61.255 3.224 -3.426 218 HH TYR 27 HH TYR 27 64.331 1.336 -3.202 219 H GLU 28 HN GLU 28 61.534 -0.332 1.482 220 HA GLU 28 HA GLU 28 60.705 -1.653 -0.819 221 HB2 GLU 28 HB2 GLU 28 62.495 -3.381 0.115 222 HB3 GLU 28 HB1 GLU 28 63.014 -1.754 -0.422 223 HG2 GLU 28 HG2 GLU 28 63.176 -0.884 1.828 224 HG3 GLU 28 HG1 GLU 28 62.427 -2.340 2.560 225 H GLU 29 HN GLU 29 60.036 -2.161 2.655 226 HA GLU 29 HA GLU 29 58.942 -4.785 2.217 227 HB2 GLU 29 HB2 GLU 29 58.910 -2.889 4.617 228 HB3 GLU 29 HB1 GLU 29 58.282 -4.580 4.643 229 HG2 GLU 29 HG2 GLU 29 60.523 -5.484 4.110 230 HG3 GLU 29 HG1 GLU 29 61.208 -3.825 3.993 231 H ALA 30 HN ALA 30 57.829 -1.740 1.372 232 HA ALA 30 HA ALA 30 55.010 -2.461 1.816 233 HB1 ALA 30 HB1 ALA 30 54.497 -0.055 1.465 234 HB2 ALA 30 HB2 ALA 30 56.253 0.297 1.243 235 HB3 ALA 30 HB3 ALA 30 55.643 -0.263 2.838 236 H TYR 31 HN TYR 31 57.625 -1.914 -0.510 237 HA TYR 31 HA TYR 31 55.812 -1.679 -2.760 238 HB2 TYR 31 HB2 TYR 31 57.985 -0.505 -2.960 239 HB3 TYR 31 HB1 TYR 31 58.833 -1.907 -2.357 240 HD1 TYR 31 HD1 TYR 31 60.368 -2.406 -4.086 241 HD2 TYR 31 HD2 TYR 31 56.260 -1.730 -5.106 242 HE1 TYR 31 HE1 TYR 31 60.800 -3.233 -6.371 243 HE2 TYR 31 HE2 TYR 31 56.642 -2.653 -7.350 244 HH TYR 31 HH TYR 31 58.156 -3.493 -8.798 245 H LEU 32 HN LEU 32 58.223 -4.021 -1.489 246 HA LEU 32 HA LEU 32 57.693 -5.905 -3.482 247 HB2 LEU 32 HB2 LEU 32 59.124 -6.126 -0.782 248 HB3 LEU 32 HB1 LEU 32 59.204 -7.370 -2.061 249 HG LEU 32 HG LEU 32 60.059 -4.421 -2.476 250 HD11 LEU 32 HD11 LEU 32 62.410 -5.152 -2.151 251 HD12 LEU 32 HD12 LEU 32 61.865 -6.828 -1.758 252 HD13 LEU 32 HD13 LEU 32 61.443 -5.460 -0.661 253 HD21 LEU 32 HD21 LEU 32 59.574 -5.620 -4.601 254 HD22 LEU 32 HD22 LEU 32 60.683 -6.960 -4.124 255 HD23 LEU 32 HD23 LEU 32 61.336 -5.307 -4.428 256 H LYS 33 HN LYS 33 56.343 -5.433 -0.276 257 HA LYS 33 HA LYS 33 55.204 -7.993 0.058 258 HB2 LYS 33 HB2 LYS 33 55.417 -6.287 1.960 259 HB3 LYS 33 HB1 LYS 33 54.202 -5.295 1.150 260 HG2 LYS 33 HG2 LYS 33 53.116 -7.997 1.469 261 HG3 LYS 33 HG1 LYS 33 53.938 -7.538 2.996 262 HD2 LYS 33 HD2 LYS 33 52.665 -5.356 2.994 263 HD3 LYS 33 HD1 LYS 33 51.853 -5.868 1.470 264 HE2 LYS 33 HE2 LYS 33 50.400 -6.174 3.431 265 HE3 LYS 33 HE1 LYS 33 50.770 -7.793 2.697 266 HZ1 LYS 33 HZ1 LYS 33 50.905 -7.825 5.085 267 HZ2 LYS 33 HZ2 LYS 33 52.066 -6.584 5.090 268 HZ3 LYS 33 HZ3 LYS 33 52.440 -8.095 4.409 269 H PHE 34 HN PHE 34 53.869 -4.845 -1.111 270 HA PHE 34 HA PHE 34 51.337 -5.971 -1.824 271 HB2 PHE 34 HB2 PHE 34 52.601 -3.179 -2.187 272 HB3 PHE 34 HB1 PHE 34 50.983 -3.596 -2.804 273 HD1 PHE 34 HD1 PHE 34 53.014 -3.523 0.344 274 HD2 PHE 34 HD2 PHE 34 49.081 -3.495 -1.380 275 HE1 PHE 34 HE1 PHE 34 52.096 -2.935 2.513 276 HE2 PHE 34 HE2 PHE 34 48.132 -2.927 0.837 277 HZ PHE 34 HZ PHE 34 49.646 -2.592 2.790 278 H GLY 35 HN GLY 35 53.291 -3.848 -3.919 279 HA2 GLY 35 HA2 GLY 35 54.572 -5.427 -5.533 280 HA3 GLY 35 HA1 GLY 35 52.893 -5.520 -6.220 281 H ASP 36 HN ASP 36 52.783 -4.194 -7.925 282 HA ASP 36 HA ASP 36 54.417 -1.934 -8.209 283 HB2 ASP 36 HB2 ASP 36 51.928 -2.730 -9.814 284 HB3 ASP 36 HB1 ASP 36 53.207 -1.571 -10.342 285 H LYS 37 HN LYS 37 51.904 -2.221 -6.157 286 HA LYS 37 HA LYS 37 50.254 -0.056 -6.457 287 HB2 LYS 37 HB2 LYS 37 49.958 -2.022 -4.911 288 HB3 LYS 37 HB1 LYS 37 51.278 -1.388 -3.914 289 HG2 LYS 37 HG2 LYS 37 49.099 -0.840 -2.925 290 HG3 LYS 37 HG1 LYS 37 49.975 0.656 -3.397 291 HD2 LYS 37 HD2 LYS 37 47.608 0.885 -3.852 292 HD3 LYS 37 HD1 LYS 37 48.530 0.919 -5.393 293 HE2 LYS 37 HE2 LYS 37 47.845 -1.482 -5.836 294 HE3 LYS 37 HE1 LYS 37 46.927 -1.491 -4.272 295 HZ1 LYS 37 HZ1 LYS 37 46.437 0.306 -6.591 296 HZ2 LYS 37 HZ2 LYS 37 45.571 0.297 -5.130 297 HZ3 LYS 37 HZ3 LYS 37 45.522 -1.055 -6.155 298 H LEU 38 HN LEU 38 53.502 -0.350 -4.928 299 HA LEU 38 HA LEU 38 53.458 2.334 -3.912 300 HB2 LEU 38 HB2 LEU 38 54.809 0.398 -2.817 301 HB3 LEU 38 HB1 LEU 38 55.813 0.362 -4.216 302 HG LEU 38 HG LEU 38 55.546 3.069 -2.907 303 HD11 LEU 38 HD11 LEU 38 55.530 1.617 -0.896 304 HD12 LEU 38 HD12 LEU 38 57.086 2.515 -1.031 305 HD13 LEU 38 HD13 LEU 38 57.011 0.774 -1.472 306 HD21 LEU 38 HD21 LEU 38 57.968 1.409 -3.849 307 HD22 LEU 38 HD22 LEU 38 58.021 3.125 -3.281 308 HD23 LEU 38 HD23 LEU 38 57.128 2.698 -4.791 309 H LEU 39 HN LEU 39 54.511 0.803 -6.939 310 HA LEU 39 HA LEU 39 56.166 2.919 -7.750 311 HB2 LEU 39 HB2 LEU 39 54.641 0.892 -9.470 312 HB3 LEU 39 HB1 LEU 39 55.978 1.947 -10.023 313 HG LEU 39 HG LEU 39 56.127 -0.309 -7.939 314 HD11 LEU 39 HD11 LEU 39 57.526 -1.461 -9.633 315 HD12 LEU 39 HD12 LEU 39 57.358 -0.053 -10.752 316 HD13 LEU 39 HD13 LEU 39 55.910 -1.036 -10.318 317 HD21 LEU 39 HD21 LEU 39 57.744 1.429 -7.235 318 HD22 LEU 39 HD22 LEU 39 58.398 1.542 -8.915 319 HD23 LEU 39 HD23 LEU 39 58.618 0.033 -7.952 320 H GLU 40 HN GLU 40 52.707 2.152 -8.446 321 HA GLU 40 HA GLU 40 52.361 4.344 -10.192 322 HB2 GLU 40 HB2 GLU 40 49.899 3.883 -9.902 323 HB3 GLU 40 HB1 GLU 40 50.854 2.451 -10.435 324 HG2 GLU 40 HG2 GLU 40 50.833 1.555 -8.116 325 HG3 GLU 40 HG1 GLU 40 49.984 2.994 -7.520 326 H TYR 41 HN TYR 41 51.920 3.971 -6.647 327 HA TYR 41 HA TYR 41 50.365 6.358 -6.385 328 HB2 TYR 41 HB2 TYR 41 51.633 4.256 -4.558 329 HB3 TYR 41 HB1 TYR 41 51.239 5.802 -3.824 330 HD1 TYR 41 HD1 TYR 41 48.972 4.526 -6.568 331 HD2 TYR 41 HD2 TYR 41 49.658 4.938 -2.324 332 HE1 TYR 41 HE1 TYR 41 46.682 3.838 -6.138 333 HE2 TYR 41 HE2 TYR 41 47.359 4.161 -1.909 334 HH TYR 41 HH TYR 41 45.103 3.408 -4.589 335 H GLU 42 HN GLU 42 53.711 5.571 -6.620 336 HA GLU 42 HA GLU 42 54.755 7.925 -5.364 337 HB2 GLU 42 HB2 GLU 42 55.955 5.736 -5.602 338 HB3 GLU 42 HB1 GLU 42 56.098 6.009 -7.367 339 HG2 GLU 42 HG2 GLU 42 57.271 7.779 -5.117 340 HG3 GLU 42 HG1 GLU 42 58.168 6.484 -5.980 341 H LEU 43 HN LEU 43 54.105 6.806 -8.694 342 HA LEU 43 HA LEU 43 54.887 9.199 -9.972 343 HB2 LEU 43 HB2 LEU 43 53.184 6.776 -10.777 344 HB3 LEU 43 HB1 LEU 43 53.610 8.056 -11.946 345 HG LEU 43 HG LEU 43 55.667 6.370 -10.398 346 HD11 LEU 43 HD11 LEU 43 55.977 5.072 -12.490 347 HD12 LEU 43 HD12 LEU 43 54.641 5.994 -13.280 348 HD13 LEU 43 HD13 LEU 43 54.291 4.921 -11.871 349 HD21 LEU 43 HD21 LEU 43 56.020 8.236 -12.829 350 HD22 LEU 43 HD22 LEU 43 57.292 7.175 -12.115 351 HD23 LEU 43 HD23 LEU 43 56.616 8.535 -11.152 352 H LEU 44 HN LEU 44 52.000 8.239 -8.270 353 HA LEU 44 HA LEU 44 50.178 9.882 -9.704 354 HB2 LEU 44 HB2 LEU 44 49.418 7.815 -8.734 355 HB3 LEU 44 HB1 LEU 44 50.033 8.303 -7.129 356 HG LEU 44 HG LEU 44 48.297 9.946 -6.855 357 HD11 LEU 44 HD11 LEU 44 47.336 9.241 -9.712 358 HD12 LEU 44 HD12 LEU 44 48.037 10.818 -9.184 359 HD13 LEU 44 HD13 LEU 44 46.447 10.281 -8.536 360 HD21 LEU 44 HD21 LEU 44 47.788 7.594 -6.263 361 HD22 LEU 44 HD22 LEU 44 47.114 7.305 -7.910 362 HD23 LEU 44 HD23 LEU 44 46.301 8.468 -6.796 363 H GLY 45 HN GLY 45 50.971 9.965 -6.134 364 HA2 GLY 45 HA2 GLY 45 52.223 12.150 -5.722 365 HA3 GLY 45 HA1 GLY 45 50.651 12.867 -6.264 366 H LYS 46 HN LYS 46 50.623 9.790 -4.595 367 HA LYS 46 HA LYS 46 49.281 10.988 -2.312 368 HB2 LYS 46 HB2 LYS 46 49.794 8.125 -3.185 369 HB3 LYS 46 HB1 LYS 46 49.079 8.559 -1.587 370 HG2 LYS 46 HG2 LYS 46 47.270 9.825 -2.713 371 HG3 LYS 46 HG1 LYS 46 47.916 9.369 -4.328 372 HD2 LYS 46 HD2 LYS 46 47.423 7.010 -3.934 373 HD3 LYS 46 HD1 LYS 46 47.024 7.324 -2.205 374 HE2 LYS 46 HE2 LYS 46 45.091 8.756 -2.882 375 HE3 LYS 46 HE1 LYS 46 45.460 8.446 -4.626 376 HZ1 LYS 46 HZ1 LYS 46 43.727 7.013 -3.814 377 HZ2 LYS 46 HZ2 LYS 46 44.734 6.396 -2.593 378 HZ3 LYS 46 HZ3 LYS 46 45.097 6.096 -4.224 379 H ILE 47 HN ILE 47 52.015 8.843 -3.127 380 HA ILE 47 HA ILE 47 53.596 9.792 -0.833 381 HB ILE 47 HB ILE 47 54.935 7.726 -1.187 382 HG12 ILE 47 HG12 ILE 47 52.518 6.998 -2.972 383 HG13 ILE 47 HG11 ILE 47 54.192 7.288 -3.533 384 HG21 ILE 47 HG21 ILE 47 53.444 6.331 0.091 385 HG22 ILE 47 HG22 ILE 47 51.976 7.213 -0.481 386 HG23 ILE 47 HG23 ILE 47 53.167 8.033 0.614 387 HD11 ILE 47 HD1 ILE 47 54.995 5.408 -2.270 388 HD12 ILE 47 HD2 ILE 47 53.724 4.868 -3.420 389 HD13 ILE 47 HD3 ILE 47 53.357 4.995 -1.656 390 H LYS 48 HN LYS 48 55.989 9.782 -1.494 391 HA LYS 48 HA LYS 48 56.433 9.789 -4.351 392 HB2 LYS 48 HB2 LYS 48 57.630 11.941 -2.485 393 HB3 LYS 48 HB1 LYS 48 57.998 11.779 -4.226 394 HG2 LYS 48 HG2 LYS 48 55.512 12.278 -4.686 395 HG3 LYS 48 HG1 LYS 48 55.383 12.696 -2.942 396 HD2 LYS 48 HD2 LYS 48 56.999 14.107 -5.144 397 HD3 LYS 48 HD1 LYS 48 55.683 14.736 -4.100 398 HE2 LYS 48 HE2 LYS 48 57.515 15.738 -3.056 399 HE3 LYS 48 HE1 LYS 48 57.433 14.187 -2.114 400 HZ1 LYS 48 HZ1 LYS 48 59.656 14.728 -2.799 401 HZ2 LYS 48 HZ2 LYS 48 59.202 14.758 -4.436 402 HZ3 LYS 48 HZ3 LYS 48 59.134 13.303 -3.562 403 H ARG 49 HN ARG 49 59.072 9.918 -4.494 404 HA ARG 49 HA ARG 49 60.427 8.884 -2.227 405 HB2 ARG 49 HB2 ARG 49 59.384 6.757 -3.076 406 HB3 ARG 49 HB1 ARG 49 60.098 7.036 -4.690 407 HG2 ARG 49 HG2 ARG 49 61.950 6.941 -2.251 408 HG3 ARG 49 HG1 ARG 49 61.161 5.430 -2.803 409 HD2 ARG 49 HD2 ARG 49 62.150 5.700 -5.092 410 HD3 ARG 49 HD1 ARG 49 62.988 7.216 -4.549 411 HE ARG 49 HE ARG 49 63.534 4.941 -2.780 412 HH11 ARG 49 HH11 ARG 49 65.623 3.918 -2.904 413 HH12 ARG 49 HH12 ARG 49 66.671 4.227 -4.248 414 HH21 ARG 49 HH21 ARG 49 64.440 6.449 -5.898 415 HH22 ARG 49 HH22 ARG 49 65.990 5.682 -5.969 416 H ILE 50 HN ILE 50 62.670 9.377 -2.545 417 HA ILE 50 HA ILE 50 63.506 10.072 -5.205 418 HB ILE 50 HB ILE 50 62.502 12.177 -4.539 419 HG12 ILE 50 HG12 ILE 50 64.454 13.707 -4.674 420 HG13 ILE 50 HG11 ILE 50 65.577 12.339 -4.403 421 HG21 ILE 50 HG21 ILE 50 62.552 11.845 -2.050 422 HG22 ILE 50 HG22 ILE 50 63.193 13.447 -2.558 423 HG23 ILE 50 HG23 ILE 50 64.330 12.150 -2.058 424 HD11 ILE 50 HD1 ILE 50 64.824 11.283 -6.555 425 HD12 ILE 50 HD2 ILE 50 65.370 12.974 -6.834 426 HD13 ILE 50 HD3 ILE 50 63.608 12.597 -6.781 427 H ASN 51 HN ASN 51 64.196 9.833 -1.690 428 HA ASN 51 HA ASN 51 67.025 9.748 -2.211 429 HB2 ASN 51 HB2 ASN 51 65.403 9.537 0.408 430 HB3 ASN 51 HB1 ASN 51 67.206 9.597 0.301 431 HD21 ASN 51 HD21 ASN 51 65.267 13.056 0.592 432 HD22 ASN 51 HD22 ASN 51 64.710 11.510 1.140 433 H HIS 52 HN HIS 52 65.607 7.716 0.286 434 HA HIS 52 HA HIS 52 66.450 5.305 -1.185 435 HB2 HIS 52 HB2 HIS 52 66.474 5.878 1.839 436 HB3 HIS 52 HB1 HIS 52 66.846 4.287 1.080 437 HD1 HIS 52 HD1 HIS 52 68.983 5.411 2.792 438 HD2 HIS 52 HD2 HIS 52 68.732 6.391 -1.283 439 HE1 HIS 52 HE1 HIS 52 71.291 6.142 2.047 440 HE2 HIS 52 HE2 HIS 52 71.096 6.719 -0.412 441 H ILE 53 HN ILE 53 64.140 6.971 1.017 442 HA ILE 53 HA ILE 53 62.381 4.624 0.896 443 HB ILE 53 HB ILE 53 61.526 5.293 3.067 444 HG12 ILE 53 HG12 ILE 53 63.964 7.178 3.260 445 HG13 ILE 53 HG11 ILE 53 62.286 7.736 2.930 446 HG21 ILE 53 HG21 ILE 53 63.434 4.294 4.308 447 HG22 ILE 53 HG22 ILE 53 64.548 4.661 2.947 448 HG23 ILE 53 HG23 ILE 53 63.203 3.480 2.723 449 HD11 ILE 53 HD1 ILE 53 61.513 6.571 5.022 450 HD12 ILE 53 HD2 ILE 53 62.638 7.960 5.321 451 HD13 ILE 53 HD3 ILE 53 63.236 6.262 5.462 452 H VAL 54 HN VAL 54 60.021 5.300 1.371 453 HA VAL 54 HA VAL 54 59.364 7.343 -0.477 454 HB VAL 54 HB VAL 54 56.967 7.020 0.288 455 HG11 VAL 54 HG11 VAL 54 57.981 5.845 -1.681 456 HG12 VAL 54 HG12 VAL 54 56.658 4.936 -0.863 457 HG13 VAL 54 HG13 VAL 54 58.358 4.459 -0.585 458 HG21 VAL 54 HG21 VAL 54 58.216 4.754 1.997 459 HG22 VAL 54 HG22 VAL 54 56.462 5.040 1.720 460 HG23 VAL 54 HG23 VAL 54 57.429 6.243 2.635 461 H VAL 55 HN VAL 55 57.904 9.199 0.143 462 HA VAL 55 HA VAL 55 58.027 9.964 2.967 463 HB VAL 55 HB VAL 55 57.968 12.357 2.286 464 HG11 VAL 55 HG11 VAL 55 60.077 11.242 3.049 465 HG12 VAL 55 HG12 VAL 55 60.402 12.542 1.843 466 HG13 VAL 55 HG13 VAL 55 60.477 10.813 1.342 467 HG21 VAL 55 HG21 VAL 55 57.133 12.078 -0.076 468 HG22 VAL 55 HG22 VAL 55 58.682 11.272 -0.532 469 HG23 VAL 55 HG23 VAL 55 58.672 12.997 -0.029 470 H LEU 56 HN LEU 56 56.036 11.226 3.527 471 HA LEU 56 HA LEU 56 53.764 10.478 1.824 472 HB2 LEU 56 HB2 LEU 56 53.892 11.884 4.547 473 HB3 LEU 56 HB1 LEU 56 52.376 11.567 3.647 474 HG LEU 56 HG LEU 56 54.253 9.327 4.612 475 HD11 LEU 56 HD11 LEU 56 53.448 10.644 6.564 476 HD12 LEU 56 HD12 LEU 56 52.655 9.026 6.509 477 HD13 LEU 56 HD13 LEU 56 51.746 10.492 5.986 478 HD21 LEU 56 HD21 LEU 56 52.756 8.616 2.776 479 HD22 LEU 56 HD22 LEU 56 51.324 9.276 3.655 480 HD23 LEU 56 HD23 LEU 56 52.240 7.887 4.343 481 H ALA 57 HN ALA 57 52.573 12.089 0.805 482 HA ALA 57 HA ALA 57 53.872 14.698 0.551 483 HB1 ALA 57 HB1 ALA 57 51.523 13.476 -1.015 484 HB2 ALA 57 HB2 ALA 57 53.239 13.496 -1.557 485 HB3 ALA 57 HB3 ALA 57 52.341 15.045 -1.375 486 H HIS 58 HN HIS 58 51.640 13.187 2.541 487 HA HIS 58 HA HIS 58 49.602 15.201 2.568 488 HB2 HIS 58 HB2 HIS 58 50.074 12.830 4.476 489 HB3 HIS 58 HB1 HIS 58 48.568 13.809 4.327 490 HD1 HIS 58 HD1 HIS 58 47.706 13.707 1.578 491 HD2 HIS 58 HD2 HIS 58 50.018 10.531 3.053 492 HE1 HIS 58 HE1 HIS 58 47.357 11.735 0.024 493 HE2 HIS 58 HE2 HIS 58 48.776 9.846 0.943 494 H HIS 59 HN HIS 59 51.625 13.807 5.239 495 HA HIS 59 HA HIS 59 51.791 16.437 6.479 496 HB2 HIS 59 HB2 HIS 59 51.274 14.450 7.920 497 HB3 HIS 59 HB1 HIS 59 52.816 13.690 7.402 498 HD1 HIS 59 HD1 HIS 59 53.058 13.803 10.152 499 HD2 HIS 59 HD2 HIS 59 53.457 17.446 8.104 500 HE1 HIS 59 HE1 HIS 59 54.222 15.423 11.714 501 HE2 HIS 59 HE2 HIS 59 54.441 17.605 10.442 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 35.929 -22.780 -7.436 2 H2 MET 1 HT2 MET 1 36.307 -21.137 -7.646 3 H3 MET 1 HT3 MET 1 37.247 -22.327 -8.407 4 HA MET 1 HA MET 1 35.431 -22.995 -9.745 5 HB2 MET 1 HB2 MET 1 33.669 -22.379 -8.034 6 HB3 MET 1 HB1 MET 1 33.863 -20.655 -8.461 7 HG2 MET 1 HG2 MET 1 33.060 -22.885 -10.443 8 HG3 MET 1 HG1 MET 1 31.886 -21.984 -9.441 9 HE1 MET 1 HE1 MET 1 31.711 -22.383 -12.540 10 HE2 MET 1 HE2 MET 1 31.107 -20.765 -13.038 11 HE3 MET 1 HE3 MET 1 30.496 -21.526 -11.529 12 H LEU 2 HN LEU 2 35.483 -19.431 -9.036 13 HA LEU 2 HA LEU 2 36.497 -18.988 -11.738 14 HB2 LEU 2 HB2 LEU 2 34.298 -17.932 -10.924 15 HB3 LEU 2 HB1 LEU 2 35.260 -16.958 -9.788 16 HG LEU 2 HG LEU 2 36.517 -16.018 -11.841 17 HD11 LEU 2 HD11 LEU 2 36.067 -17.812 -13.501 18 HD12 LEU 2 HD12 LEU 2 35.424 -16.237 -14.082 19 HD13 LEU 2 HD13 LEU 2 34.297 -17.475 -13.414 20 HD21 LEU 2 HD21 LEU 2 33.470 -15.568 -11.752 21 HD22 LEU 2 HD22 LEU 2 34.694 -14.461 -12.481 22 HD23 LEU 2 HD23 LEU 2 34.699 -14.764 -10.703 23 H LYS 3 HN LYS 3 37.076 -16.272 -9.808 24 HA LYS 3 HA LYS 3 39.865 -17.060 -9.389 25 HB2 LYS 3 HB2 LYS 3 39.284 -14.998 -10.765 26 HB3 LYS 3 HB1 LYS 3 38.628 -14.242 -9.291 27 HG2 LYS 3 HG2 LYS 3 41.523 -15.267 -9.692 28 HG3 LYS 3 HG1 LYS 3 40.995 -13.584 -10.001 29 HD2 LYS 3 HD2 LYS 3 41.049 -14.989 -7.258 30 HD3 LYS 3 HD1 LYS 3 42.225 -13.796 -7.872 31 HE2 LYS 3 HE2 LYS 3 39.236 -13.195 -7.319 32 HE3 LYS 3 HE1 LYS 3 40.634 -12.758 -6.261 33 HZ1 LYS 3 HZ1 LYS 3 39.929 -10.937 -7.631 34 HZ2 LYS 3 HZ2 LYS 3 40.202 -11.829 -9.051 35 HZ3 LYS 3 HZ3 LYS 3 41.506 -11.415 -8.043 36 H ASP 4 HN ASP 4 40.056 -18.002 -7.420 37 HA ASP 4 HA ASP 4 39.554 -16.449 -5.135 38 HB2 ASP 4 HB2 ASP 4 38.212 -18.213 -3.864 39 HB3 ASP 4 HB1 ASP 4 37.267 -17.279 -5.064 40 H TYR 5 HN TYR 5 41.262 -16.896 -3.825 41 HA TYR 5 HA TYR 5 42.658 -19.456 -4.218 42 HB2 TYR 5 HB2 TYR 5 43.962 -16.712 -3.933 43 HB3 TYR 5 HB1 TYR 5 44.836 -18.293 -4.058 44 HD1 TYR 5 HD1 TYR 5 44.014 -15.478 -5.898 45 HD2 TYR 5 HD2 TYR 5 43.876 -19.767 -6.194 46 HE1 TYR 5 HE1 TYR 5 44.018 -15.309 -8.358 47 HE2 TYR 5 HE2 TYR 5 43.848 -19.600 -8.650 48 HH TYR 5 HH TYR 5 43.940 -16.413 -10.315 49 H HIS 6 HN HIS 6 44.558 -18.014 -2.221 50 HA HIS 6 HA HIS 6 43.377 -19.031 0.162 51 HB2 HIS 6 HB2 HIS 6 45.863 -19.038 -0.343 52 HB3 HIS 6 HB1 HIS 6 45.866 -17.259 -0.275 53 HD1 HIS 6 HD1 HIS 6 44.919 -20.151 2.079 54 HD2 HIS 6 HD2 HIS 6 46.347 -16.206 2.236 55 HE1 HIS 6 HE1 HIS 6 45.377 -19.610 4.512 56 HE2 HIS 6 HE2 HIS 6 46.212 -17.217 4.563 57 H LEU 7 HN LEU 7 43.779 -16.004 -1.458 58 HA LEU 7 HA LEU 7 43.676 -13.990 0.191 59 HB2 LEU 7 HB2 LEU 7 41.819 -14.226 -2.246 60 HB3 LEU 7 HB1 LEU 7 42.361 -12.686 -1.497 61 HG LEU 7 HG LEU 7 44.174 -14.772 -2.860 62 HD11 LEU 7 HD11 LEU 7 42.656 -13.666 -4.477 63 HD12 LEU 7 HD12 LEU 7 44.359 -13.123 -4.712 64 HD13 LEU 7 HD13 LEU 7 43.175 -12.043 -3.884 65 HD21 LEU 7 HD21 LEU 7 45.441 -13.518 -1.131 66 HD22 LEU 7 HD22 LEU 7 44.847 -11.952 -1.805 67 HD23 LEU 7 HD23 LEU 7 45.939 -13.003 -2.782 68 H LYS 8 HN LYS 8 42.583 -13.443 1.980 69 HA LYS 8 HA LYS 8 39.712 -13.748 2.115 70 HB2 LYS 8 HB2 LYS 8 40.530 -16.027 2.787 71 HB3 LYS 8 HB1 LYS 8 41.702 -15.291 3.919 72 HG2 LYS 8 HG2 LYS 8 39.800 -16.214 5.138 73 HG3 LYS 8 HG1 LYS 8 39.816 -14.431 5.324 74 HD2 LYS 8 HD2 LYS 8 37.997 -14.246 3.584 75 HD3 LYS 8 HD1 LYS 8 38.043 -16.028 3.364 76 HE2 LYS 8 HE2 LYS 8 36.125 -15.385 4.805 77 HE3 LYS 8 HE1 LYS 8 37.325 -16.338 5.770 78 HZ1 LYS 8 HZ1 LYS 8 37.051 -13.376 5.732 79 HZ2 LYS 8 HZ2 LYS 8 38.182 -14.265 6.635 80 HZ3 LYS 8 HZ3 LYS 8 36.521 -14.428 6.956 81 H GLU 9 HN GLU 9 42.771 -13.291 3.979 82 HA GLU 9 HA GLU 9 41.671 -10.907 5.215 83 HB2 GLU 9 HB2 GLU 9 42.867 -11.290 7.201 84 HB3 GLU 9 HB1 GLU 9 41.934 -12.786 6.861 85 HG2 GLU 9 HG2 GLU 9 44.923 -12.360 6.248 86 HG3 GLU 9 HG1 GLU 9 44.287 -13.143 7.738 87 H MET 10 HN MET 10 43.033 -9.200 5.240 88 HA MET 10 HA MET 10 43.883 -7.842 3.816 89 HB2 MET 10 HB2 MET 10 46.388 -9.147 4.943 90 HB3 MET 10 HB1 MET 10 46.333 -7.499 4.213 91 HG2 MET 10 HG2 MET 10 44.613 -6.831 5.917 92 HG3 MET 10 HG1 MET 10 44.773 -8.431 6.700 93 HE1 MET 10 HE1 MET 10 48.366 -8.447 8.194 94 HE2 MET 10 HE2 MET 10 47.941 -9.053 6.561 95 HE3 MET 10 HE3 MET 10 46.815 -9.316 7.938 96 HA PRO 11 HA PRO 11 45.044 -10.289 0.129 97 HB2 PRO 11 HB2 PRO 11 42.935 -9.616 -1.536 98 HB3 PRO 11 HB1 PRO 11 42.828 -10.868 -0.256 99 HG2 PRO 11 HG1 PRO 11 41.943 -7.946 -0.003 100 HG3 PRO 11 HG2 PRO 11 40.987 -9.446 0.359 101 HD2 PRO 11 HD1 PRO 11 42.352 -8.124 2.367 102 HD3 PRO 11 HD2 PRO 11 42.337 -9.901 2.337 103 H GLU 12 HN GLU 12 43.468 -7.795 -1.706 104 HA GLU 12 HA GLU 12 45.980 -6.257 -1.852 105 HB2 GLU 12 HB2 GLU 12 44.125 -7.101 -4.168 106 HB3 GLU 12 HB1 GLU 12 45.426 -5.869 -4.274 107 HG2 GLU 12 HG2 GLU 12 46.327 -7.827 -5.249 108 HG3 GLU 12 HG1 GLU 12 47.130 -7.643 -3.648 109 H MET 13 HN MET 13 45.014 -4.845 -0.272 110 HA MET 13 HA MET 13 42.738 -3.279 -1.279 111 HB2 MET 13 HB2 MET 13 43.954 -3.509 1.521 112 HB3 MET 13 HB1 MET 13 42.599 -2.406 1.069 113 HG2 MET 13 HG2 MET 13 41.233 -4.404 0.433 114 HG3 MET 13 HG1 MET 13 42.568 -5.488 0.928 115 HE1 MET 13 HE1 MET 13 40.639 -6.710 2.228 116 HE2 MET 13 HE2 MET 13 39.443 -5.422 1.864 117 HE3 MET 13 HE3 MET 13 39.668 -5.986 3.555 118 H GLU 14 HN GLU 14 42.965 -0.911 -0.959 119 HA GLU 14 HA GLU 14 45.680 -0.147 -1.771 120 HB2 GLU 14 HB2 GLU 14 44.608 1.576 -3.134 121 HB3 GLU 14 HB1 GLU 14 43.881 -0.025 -3.497 122 HG2 GLU 14 HG2 GLU 14 41.900 0.516 -2.053 123 HG3 GLU 14 HG1 GLU 14 42.578 2.149 -1.715 124 H ASP 15 HN ASP 15 43.063 0.486 0.470 125 HA ASP 15 HA ASP 15 44.246 2.985 1.316 126 HB2 ASP 15 HB2 ASP 15 42.473 3.280 2.848 127 HB3 ASP 15 HB1 ASP 15 41.790 2.859 1.247 128 H GLU 16 HN GLU 16 44.288 -0.413 2.062 129 HA GLU 16 HA GLU 16 45.487 -0.380 4.589 130 HB2 GLU 16 HB2 GLU 16 44.526 -2.414 3.475 131 HB3 GLU 16 HB1 GLU 16 45.804 -2.318 2.218 132 HG2 GLU 16 HG2 GLU 16 47.555 -2.704 4.048 133 HG3 GLU 16 HG1 GLU 16 46.210 -2.902 5.232 134 H PHE 17 HN PHE 17 46.732 -0.190 1.201 135 HA PHE 17 HA PHE 17 49.442 -0.099 1.828 136 HB2 PHE 17 HB2 PHE 17 48.585 -0.528 -0.486 137 HB3 PHE 17 HB1 PHE 17 47.920 1.133 -0.554 138 HD1 PHE 17 HD1 PHE 17 49.298 2.989 -1.069 139 HD2 PHE 17 HD2 PHE 17 51.103 -0.834 -0.353 140 HE1 PHE 17 HE1 PHE 17 51.469 3.852 -1.890 141 HE2 PHE 17 HE2 PHE 17 53.257 0.013 -1.246 142 HZ PHE 17 HZ PHE 17 53.459 2.389 -1.905 143 H LEU 18 HN LEU 18 46.927 2.476 1.640 144 HA LEU 18 HA LEU 18 48.729 4.610 1.797 145 HB2 LEU 18 HB2 LEU 18 45.739 4.224 2.072 146 HB3 LEU 18 HB1 LEU 18 46.384 5.803 2.541 147 HG LEU 18 HG LEU 18 46.945 4.467 -0.163 148 HD11 LEU 18 HD11 LEU 18 45.236 5.980 -1.160 149 HD12 LEU 18 HD12 LEU 18 44.806 6.594 0.482 150 HD13 LEU 18 HD13 LEU 18 44.504 4.867 0.054 151 HD21 LEU 18 HD21 LEU 18 47.318 7.402 0.722 152 HD22 LEU 18 HD22 LEU 18 47.630 6.733 -0.923 153 HD23 LEU 18 HD23 LEU 18 48.640 6.204 0.457 154 H GLU 19 HN GLU 19 47.535 2.509 4.334 155 HA GLU 19 HA GLU 19 48.056 4.566 6.377 156 HB2 GLU 19 HB2 GLU 19 46.869 1.765 6.551 157 HB3 GLU 19 HB1 GLU 19 47.239 2.797 7.977 158 HG2 GLU 19 HG2 GLU 19 45.258 3.505 5.713 159 HG3 GLU 19 HG1 GLU 19 44.856 2.934 7.370 160 H TYR 20 HN TYR 20 49.478 1.917 4.691 161 HA TYR 20 HA TYR 20 51.390 1.158 6.720 162 HB2 TYR 20 HB2 TYR 20 50.843 0.521 3.760 163 HB3 TYR 20 HB1 TYR 20 52.341 -0.012 4.460 164 HD1 TYR 20 HD1 TYR 20 52.216 -2.264 4.407 165 HD2 TYR 20 HD2 TYR 20 49.113 -0.097 6.417 166 HE1 TYR 20 HE1 TYR 20 51.321 -4.390 5.292 167 HE2 TYR 20 HE2 TYR 20 48.222 -2.205 7.332 168 HH TYR 20 HH TYR 20 48.414 -4.452 7.404 169 H CYS 21 HN CYS 21 50.959 3.449 4.224 170 HA CYS 21 HA CYS 21 53.611 3.659 3.411 171 HB2 CYS 21 HB2 CYS 21 51.455 5.874 3.318 172 HB3 CYS 21 HB1 CYS 21 53.068 6.039 2.566 173 HG CYS 21 HG1 CYS 21 51.362 5.661 0.733 174 H ALA 22 HN ALA 22 51.881 4.844 6.167 175 HA ALA 22 HA ALA 22 53.423 7.040 6.949 176 HB1 ALA 22 HB1 ALA 22 51.083 6.590 7.723 177 HB2 ALA 22 HB2 ALA 22 52.209 6.761 9.123 178 HB3 ALA 22 HB3 ALA 22 51.654 5.123 8.591 179 H LYS 23 HN LYS 23 54.073 3.650 6.971 180 HA LYS 23 HA LYS 23 56.292 3.918 8.839 181 HB2 LYS 23 HB2 LYS 23 54.970 1.744 8.873 182 HB3 LYS 23 HB1 LYS 23 55.396 1.505 7.156 183 HG2 LYS 23 HG2 LYS 23 57.915 1.695 7.999 184 HG3 LYS 23 HG1 LYS 23 57.213 1.508 9.637 185 HD2 LYS 23 HD2 LYS 23 57.959 -0.653 8.912 186 HD3 LYS 23 HD1 LYS 23 56.161 -0.691 8.829 187 HE2 LYS 23 HE2 LYS 23 56.281 -0.357 6.323 188 HE3 LYS 23 HE1 LYS 23 58.083 -0.236 6.429 189 HZ1 LYS 23 HZ1 LYS 23 56.442 -2.598 7.180 190 HZ2 LYS 23 HZ2 LYS 23 58.135 -2.482 7.261 191 HZ3 LYS 23 HZ3 LYS 23 57.351 -2.405 5.758 192 H ASN 24 HN ASN 24 57.140 5.601 7.580 193 HA ASN 24 HA ASN 24 57.844 5.384 4.910 194 HB2 ASN 24 HB2 ASN 24 59.118 7.192 7.041 195 HB3 ASN 24 HB1 ASN 24 59.317 7.363 5.262 196 HD21 ASN 24 HD21 ASN 24 55.970 8.614 4.679 197 HD22 ASN 24 HD22 ASN 24 57.272 7.726 3.960 198 HA PRO 25 HA PRO 25 62.228 3.980 6.271 199 HB2 PRO 25 HB2 PRO 25 62.228 2.324 8.632 200 HB3 PRO 25 HB1 PRO 25 62.845 4.029 8.528 201 HG2 PRO 25 HG1 PRO 25 60.082 3.051 9.407 202 HG3 PRO 25 HG2 PRO 25 61.122 4.325 10.176 203 HD2 PRO 25 HD1 PRO 25 59.059 5.049 8.552 204 HD3 PRO 25 HD2 PRO 25 60.662 5.880 8.340 205 H SER 26 HN SER 26 62.938 2.065 5.310 206 HA SER 26 HA SER 26 62.816 0.195 4.267 207 HB2 SER 26 HB2 SER 26 61.198 -0.680 6.707 208 HB3 SER 26 HB1 SER 26 61.702 -1.829 5.391 209 HG SER 26 HG1 SER 26 63.771 -1.472 5.895 210 H TYR 27 HN TYR 27 61.666 1.717 2.833 211 HA TYR 27 HA TYR 27 58.879 1.563 2.528 212 HB2 TYR 27 HB2 TYR 27 59.112 3.021 0.727 213 HB3 TYR 27 HB1 TYR 27 60.430 3.530 1.839 214 HD1 TYR 27 HD1 TYR 27 59.762 3.585 -1.396 215 HD2 TYR 27 HD2 TYR 27 62.663 1.618 1.100 216 HE1 TYR 27 HE1 TYR 27 61.182 3.262 -3.329 217 HE2 TYR 27 HE2 TYR 27 64.062 1.189 -0.872 218 HH TYR 27 HH TYR 27 63.080 2.311 -4.149 219 H GLU 28 HN GLU 28 61.567 -0.208 1.511 220 HA GLU 28 HA GLU 28 60.777 -1.451 -0.838 221 HB2 GLU 28 HB2 GLU 28 62.635 -3.155 0.022 222 HB3 GLU 28 HB1 GLU 28 63.088 -1.491 -0.461 223 HG2 GLU 28 HG2 GLU 28 63.235 -0.692 1.817 224 HG3 GLU 28 HG1 GLU 28 62.551 -2.202 2.504 225 H GLU 29 HN GLU 29 60.255 -2.208 2.627 226 HA GLU 29 HA GLU 29 59.241 -4.820 2.101 227 HB2 GLU 29 HB2 GLU 29 59.073 -2.967 4.529 228 HB3 GLU 29 HB1 GLU 29 58.459 -4.664 4.512 229 HG2 GLU 29 HG2 GLU 29 60.717 -5.547 4.057 230 HG3 GLU 29 HG1 GLU 29 61.394 -3.886 3.932 231 H ALA 30 HN ALA 30 57.922 -1.526 2.103 232 HA ALA 30 HA ALA 30 55.183 -2.460 2.234 233 HB1 ALA 30 HB1 ALA 30 54.595 -0.049 2.034 234 HB2 ALA 30 HB2 ALA 30 56.332 0.354 1.752 235 HB3 ALA 30 HB3 ALA 30 55.804 -0.304 3.341 236 H TYR 31 HN TYR 31 57.629 -1.981 -0.190 237 HA TYR 31 HA TYR 31 55.756 -1.502 -2.363 238 HB2 TYR 31 HB2 TYR 31 57.945 -0.398 -2.605 239 HB3 TYR 31 HB1 TYR 31 58.764 -1.806 -1.980 240 HD1 TYR 31 HD1 TYR 31 56.278 -1.866 -4.780 241 HD2 TYR 31 HD2 TYR 31 60.408 -2.017 -3.660 242 HE1 TYR 31 HE1 TYR 31 56.836 -2.709 -7.030 243 HE2 TYR 31 HE2 TYR 31 61.003 -2.780 -5.929 244 HH TYR 31 HH TYR 31 60.249 -3.383 -7.965 245 H LEU 32 HN LEU 32 58.141 -3.994 -1.358 246 HA LEU 32 HA LEU 32 57.489 -5.698 -3.445 247 HB2 LEU 32 HB2 LEU 32 59.007 -6.108 -0.817 248 HB3 LEU 32 HB1 LEU 32 58.999 -7.313 -2.139 249 HG LEU 32 HG LEU 32 59.914 -4.383 -2.512 250 HD11 LEU 32 HD11 LEU 32 61.687 -6.840 -1.891 251 HD12 LEU 32 HD12 LEU 32 61.334 -5.481 -0.760 252 HD13 LEU 32 HD13 LEU 32 62.258 -5.172 -2.276 253 HD21 LEU 32 HD21 LEU 32 61.110 -5.265 -4.519 254 HD22 LEU 32 HD22 LEU 32 59.335 -5.525 -4.640 255 HD23 LEU 32 HD23 LEU 32 60.420 -6.905 -4.223 256 H LYS 33 HN LYS 33 56.198 -5.474 -0.195 257 HA LYS 33 HA LYS 33 55.040 -8.028 0.001 258 HB2 LYS 33 HB2 LYS 33 55.324 -6.491 1.958 259 HB3 LYS 33 HB1 LYS 33 54.171 -5.349 1.247 260 HG2 LYS 33 HG2 LYS 33 53.041 -8.116 1.591 261 HG3 LYS 33 HG1 LYS 33 53.650 -7.388 3.118 262 HD2 LYS 33 HD2 LYS 33 52.275 -5.396 2.757 263 HD3 LYS 33 HD1 LYS 33 51.772 -6.002 1.140 264 HE2 LYS 33 HE2 LYS 33 51.062 -7.267 3.875 265 HE3 LYS 33 HE1 LYS 33 49.969 -6.329 2.784 266 HZ1 LYS 33 HZ1 LYS 33 51.246 -8.920 2.120 267 HZ2 LYS 33 HZ2 LYS 33 50.216 -8.016 1.117 268 HZ3 LYS 33 HZ3 LYS 33 49.625 -8.674 2.566 269 H PHE 34 HN PHE 34 53.843 -4.870 -1.228 270 HA PHE 34 HA PHE 34 51.265 -5.925 -1.954 271 HB2 PHE 34 HB2 PHE 34 52.625 -3.167 -2.296 272 HB3 PHE 34 HB1 PHE 34 51.003 -3.528 -2.954 273 HD1 PHE 34 HD1 PHE 34 53.014 -3.532 0.191 274 HD2 PHE 34 HD2 PHE 34 49.075 -3.373 -1.506 275 HE1 PHE 34 HE1 PHE 34 52.107 -3.032 2.399 276 HE2 PHE 34 HE2 PHE 34 48.148 -2.838 0.732 277 HZ PHE 34 HZ PHE 34 49.679 -2.594 2.689 278 H GLY 35 HN GLY 35 53.361 -3.859 -3.985 279 HA2 GLY 35 HA2 GLY 35 54.693 -5.407 -5.538 280 HA3 GLY 35 HA1 GLY 35 53.042 -5.612 -6.258 281 H ASP 36 HN ASP 36 52.614 -4.258 -7.867 282 HA ASP 36 HA ASP 36 54.305 -2.059 -8.380 283 HB2 ASP 36 HB2 ASP 36 51.708 -2.926 -9.769 284 HB3 ASP 36 HB1 ASP 36 52.848 -1.676 -10.386 285 H LYS 37 HN LYS 37 51.950 -2.235 -6.116 286 HA LYS 37 HA LYS 37 50.303 -0.050 -6.498 287 HB2 LYS 37 HB2 LYS 37 49.923 -1.961 -4.915 288 HB3 LYS 37 HB1 LYS 37 51.258 -1.338 -3.917 289 HG2 LYS 37 HG2 LYS 37 49.079 -0.707 -2.968 290 HG3 LYS 37 HG1 LYS 37 50.028 0.741 -3.451 291 HD2 LYS 37 HD2 LYS 37 47.687 1.078 -3.940 292 HD3 LYS 37 HD1 LYS 37 48.626 1.040 -5.470 293 HE2 LYS 37 HE2 LYS 37 47.826 -1.331 -5.881 294 HE3 LYS 37 HE1 LYS 37 46.893 -1.267 -4.328 295 HZ1 LYS 37 HZ1 LYS 37 46.523 0.513 -6.682 296 HZ2 LYS 37 HZ2 LYS 37 45.645 0.580 -5.229 297 HZ3 LYS 37 HZ3 LYS 37 45.529 -0.788 -6.230 298 H LEU 38 HN LEU 38 53.540 -0.377 -4.943 299 HA LEU 38 HA LEU 38 53.497 2.353 -3.999 300 HB2 LEU 38 HB2 LEU 38 54.779 0.445 -2.780 301 HB3 LEU 38 HB1 LEU 38 55.856 0.362 -4.129 302 HG LEU 38 HG LEU 38 55.511 3.112 -2.944 303 HD11 LEU 38 HD11 LEU 38 56.891 0.905 -1.300 304 HD12 LEU 38 HD12 LEU 38 55.377 1.770 -0.867 305 HD13 LEU 38 HD13 LEU 38 56.934 2.668 -0.957 306 HD21 LEU 38 HD21 LEU 38 58.000 1.442 -3.657 307 HD22 LEU 38 HD22 LEU 38 57.991 3.186 -3.176 308 HD23 LEU 38 HD23 LEU 38 57.201 2.666 -4.712 309 H LEU 39 HN LEU 39 54.524 0.682 -6.936 310 HA LEU 39 HA LEU 39 56.248 2.713 -7.839 311 HB2 LEU 39 HB2 LEU 39 54.661 0.646 -9.449 312 HB3 LEU 39 HB1 LEU 39 56.001 1.659 -10.075 313 HG LEU 39 HG LEU 39 56.184 -0.473 -7.860 314 HD11 LEU 39 HD11 LEU 39 55.844 -1.390 -10.148 315 HD12 LEU 39 HD12 LEU 39 57.494 -1.770 -9.523 316 HD13 LEU 39 HD13 LEU 39 57.268 -0.456 -10.743 317 HD21 LEU 39 HD21 LEU 39 57.860 1.282 -7.367 318 HD22 LEU 39 HD22 LEU 39 58.429 1.263 -9.080 319 HD23 LEU 39 HD23 LEU 39 58.680 -0.175 -8.023 320 H GLU 40 HN GLU 40 52.758 2.008 -8.472 321 HA GLU 40 HA GLU 40 52.464 4.134 -10.301 322 HB2 GLU 40 HB2 GLU 40 49.997 3.777 -9.997 323 HB3 GLU 40 HB1 GLU 40 50.893 2.282 -10.450 324 HG2 GLU 40 HG2 GLU 40 50.827 1.514 -8.085 325 HG3 GLU 40 HG1 GLU 40 50.024 3.010 -7.575 326 H TYR 41 HN TYR 41 52.020 3.921 -6.745 327 HA TYR 41 HA TYR 41 50.545 6.374 -6.598 328 HB2 TYR 41 HB2 TYR 41 51.671 4.271 -4.677 329 HB3 TYR 41 HB1 TYR 41 51.301 5.845 -3.997 330 HD1 TYR 41 HD1 TYR 41 49.660 4.953 -2.538 331 HD2 TYR 41 HD2 TYR 41 49.061 4.686 -6.805 332 HE1 TYR 41 HE1 TYR 41 47.315 4.294 -2.199 333 HE2 TYR 41 HE2 TYR 41 46.740 4.078 -6.448 334 HH TYR 41 HH TYR 41 45.357 3.753 -3.147 335 H GLU 42 HN GLU 42 53.865 5.439 -6.699 336 HA GLU 42 HA GLU 42 54.949 7.824 -5.516 337 HB2 GLU 42 HB2 GLU 42 56.230 5.736 -5.504 338 HB3 GLU 42 HB1 GLU 42 56.167 5.650 -7.300 339 HG2 GLU 42 HG2 GLU 42 57.563 7.752 -7.434 340 HG3 GLU 42 HG1 GLU 42 57.647 7.798 -5.633 341 H LEU 43 HN LEU 43 54.291 6.585 -8.804 342 HA LEU 43 HA LEU 43 55.269 8.871 -10.163 343 HB2 LEU 43 HB2 LEU 43 53.490 6.486 -10.912 344 HB3 LEU 43 HB1 LEU 43 53.958 7.712 -12.124 345 HG LEU 43 HG LEU 43 55.970 6.045 -10.504 346 HD11 LEU 43 HD11 LEU 43 54.934 5.563 -13.367 347 HD12 LEU 43 HD12 LEU 43 54.559 4.561 -11.913 348 HD13 LEU 43 HD13 LEU 43 56.249 4.647 -12.536 349 HD21 LEU 43 HD21 LEU 43 57.609 6.738 -12.257 350 HD22 LEU 43 HD22 LEU 43 56.961 8.156 -11.360 351 HD23 LEU 43 HD23 LEU 43 56.357 7.788 -13.020 352 H LEU 44 HN LEU 44 52.283 8.103 -8.535 353 HA LEU 44 HA LEU 44 50.596 9.781 -10.092 354 HB2 LEU 44 HB2 LEU 44 49.702 7.779 -9.106 355 HB3 LEU 44 HB1 LEU 44 50.274 8.276 -7.487 356 HG LEU 44 HG LEU 44 48.602 9.990 -7.314 357 HD11 LEU 44 HD11 LEU 44 47.751 9.312 -10.213 358 HD12 LEU 44 HD12 LEU 44 48.497 10.858 -9.657 359 HD13 LEU 44 HD13 LEU 44 46.853 10.399 -9.088 360 HD21 LEU 44 HD21 LEU 44 46.529 8.609 -7.367 361 HD22 LEU 44 HD22 LEU 44 47.939 7.674 -6.735 362 HD23 LEU 44 HD23 LEU 44 47.353 7.397 -8.417 363 H GLY 45 HN GLY 45 51.290 9.910 -6.506 364 HA2 GLY 45 HA2 GLY 45 52.673 11.982 -6.074 365 HA3 GLY 45 HA1 GLY 45 51.206 12.830 -6.711 366 H LYS 46 HN LYS 46 50.922 9.798 -4.947 367 HA LYS 46 HA LYS 46 49.500 11.138 -2.796 368 HB2 LYS 46 HB2 LYS 46 49.933 8.220 -3.520 369 HB3 LYS 46 HB1 LYS 46 49.123 8.762 -2.003 370 HG2 LYS 46 HG2 LYS 46 47.479 10.072 -3.337 371 HG3 LYS 46 HG1 LYS 46 48.209 9.468 -4.864 372 HD2 LYS 46 HD2 LYS 46 47.543 7.171 -4.346 373 HD3 LYS 46 HD1 LYS 46 47.039 7.642 -2.681 374 HE2 LYS 46 HE2 LYS 46 45.249 9.109 -3.584 375 HE3 LYS 46 HE1 LYS 46 45.716 8.670 -5.275 376 HZ1 LYS 46 HZ1 LYS 46 44.744 6.793 -3.179 377 HZ2 LYS 46 HZ2 LYS 46 45.200 6.371 -4.759 378 HZ3 LYS 46 HZ3 LYS 46 43.858 7.379 -4.503 379 H ILE 47 HN ILE 47 52.179 8.854 -3.376 380 HA ILE 47 HA ILE 47 53.674 9.814 -1.030 381 HB ILE 47 HB ILE 47 54.959 7.706 -1.267 382 HG12 ILE 47 HG12 ILE 47 52.614 7.013 -3.162 383 HG13 ILE 47 HG11 ILE 47 54.321 7.243 -3.650 384 HG21 ILE 47 HG21 ILE 47 51.952 7.281 -0.717 385 HG22 ILE 47 HG22 ILE 47 53.100 8.097 0.426 386 HG23 ILE 47 HG23 ILE 47 53.364 6.379 -0.047 387 HD11 ILE 47 HD1 ILE 47 55.004 5.369 -2.309 388 HD12 ILE 47 HD2 ILE 47 53.785 4.844 -3.521 389 HD13 ILE 47 HD3 ILE 47 53.322 5.009 -1.782 390 H LYS 48 HN LYS 48 56.085 9.777 -1.564 391 HA LYS 48 HA LYS 48 56.702 9.651 -4.387 392 HB2 LYS 48 HB2 LYS 48 57.695 11.945 -2.562 393 HB3 LYS 48 HB1 LYS 48 58.261 11.658 -4.242 394 HG2 LYS 48 HG2 LYS 48 55.972 12.131 -5.107 395 HG3 LYS 48 HG1 LYS 48 55.402 12.474 -3.436 396 HD2 LYS 48 HD2 LYS 48 57.624 14.014 -4.914 397 HD3 LYS 48 HD1 LYS 48 55.906 14.532 -4.752 398 HE2 LYS 48 HE2 LYS 48 56.171 14.605 -2.235 399 HE3 LYS 48 HE1 LYS 48 57.918 14.162 -2.424 400 HZ1 LYS 48 HZ1 LYS 48 56.591 16.572 -3.547 401 HZ2 LYS 48 HZ2 LYS 48 58.228 16.154 -3.723 402 HZ3 LYS 48 HZ3 LYS 48 57.604 16.513 -2.185 403 H ARG 49 HN ARG 49 59.319 9.759 -4.427 404 HA ARG 49 HA ARG 49 60.592 8.924 -2.026 405 HB2 ARG 49 HB2 ARG 49 59.690 6.716 -2.665 406 HB3 ARG 49 HB1 ARG 49 60.275 6.907 -4.340 407 HG2 ARG 49 HG2 ARG 49 62.343 7.053 -2.108 408 HG3 ARG 49 HG1 ARG 49 61.537 5.486 -2.398 409 HD2 ARG 49 HD2 ARG 49 62.228 5.519 -4.810 410 HD3 ARG 49 HD1 ARG 49 63.092 7.095 -4.540 411 HE ARG 49 HE ARG 49 63.962 5.139 -2.590 412 HH11 ARG 49 HH11 ARG 49 65.990 4.032 -2.888 413 HH12 ARG 49 HH12 ARG 49 66.755 4.008 -4.442 414 HH21 ARG 49 HH21 ARG 49 64.235 5.917 -6.071 415 HH22 ARG 49 HH22 ARG 49 65.744 5.093 -6.274 416 H ILE 50 HN ILE 50 62.900 9.292 -2.315 417 HA ILE 50 HA ILE 50 63.772 9.945 -4.976 418 HB ILE 50 HB ILE 50 62.831 12.085 -4.313 419 HG12 ILE 50 HG12 ILE 50 64.832 13.548 -4.474 420 HG13 ILE 50 HG11 ILE 50 65.912 12.145 -4.205 421 HG21 ILE 50 HG21 ILE 50 63.578 13.341 -2.345 422 HG22 ILE 50 HG22 ILE 50 64.686 12.016 -1.851 423 HG23 ILE 50 HG23 ILE 50 62.900 11.759 -1.820 424 HD11 ILE 50 HD1 ILE 50 65.108 11.103 -6.345 425 HD12 ILE 50 HD2 ILE 50 65.705 12.774 -6.637 426 HD13 ILE 50 HD3 ILE 50 63.932 12.454 -6.568 427 H ASN 51 HN ASN 51 64.450 9.705 -1.457 428 HA ASN 51 HA ASN 51 67.275 9.479 -1.977 429 HB2 ASN 51 HB2 ASN 51 65.649 9.362 0.649 430 HB3 ASN 51 HB1 ASN 51 67.452 9.352 0.537 431 HD21 ASN 51 HD21 ASN 51 67.607 12.828 -0.678 432 HD22 ASN 51 HD22 ASN 51 68.251 11.273 -1.086 433 H HIS 52 HN HIS 52 65.867 7.530 0.575 434 HA HIS 52 HA HIS 52 66.322 5.092 -1.012 435 HB2 HIS 52 HB2 HIS 52 67.847 5.279 0.980 436 HB3 HIS 52 HB1 HIS 52 66.418 5.421 2.050 437 HD1 HIS 52 HD1 HIS 52 64.839 3.173 2.050 438 HD2 HIS 52 HD2 HIS 52 68.603 2.711 0.252 439 HE1 HIS 52 HE1 HIS 52 65.273 0.686 1.840 440 HE2 HIS 52 HE2 HIS 52 67.545 0.451 0.748 441 H ILE 53 HN ILE 53 64.244 6.915 1.360 442 HA ILE 53 HA ILE 53 62.360 4.679 1.247 443 HB ILE 53 HB ILE 53 61.511 5.450 3.364 444 HG12 ILE 53 HG12 ILE 53 63.921 7.371 3.486 445 HG13 ILE 53 HG11 ILE 53 62.233 7.885 3.142 446 HG21 ILE 53 HG21 ILE 53 63.420 4.536 4.673 447 HG22 ILE 53 HG22 ILE 53 64.539 4.847 3.308 448 HG23 ILE 53 HG23 ILE 53 63.209 3.638 3.130 449 HD11 ILE 53 HD1 ILE 53 61.500 6.755 5.293 450 HD12 ILE 53 HD2 ILE 53 62.565 8.204 5.520 451 HD13 ILE 53 HD3 ILE 53 63.238 6.543 5.725 452 H VAL 54 HN VAL 54 60.015 5.420 1.666 453 HA VAL 54 HA VAL 54 59.456 7.407 -0.279 454 HB VAL 54 HB VAL 54 57.014 7.141 0.447 455 HG11 VAL 54 HG11 VAL 54 56.688 5.069 -0.715 456 HG12 VAL 54 HG12 VAL 54 58.383 4.572 -0.423 457 HG13 VAL 54 HG13 VAL 54 58.029 5.968 -1.514 458 HG21 VAL 54 HG21 VAL 54 58.198 4.840 2.156 459 HG22 VAL 54 HG22 VAL 54 56.454 5.174 1.866 460 HG23 VAL 54 HG23 VAL 54 57.445 6.343 2.801 461 H VAL 55 HN VAL 55 58.077 9.320 0.203 462 HA VAL 55 HA VAL 55 58.024 10.154 3.012 463 HB VAL 55 HB VAL 55 57.986 12.523 2.240 464 HG11 VAL 55 HG11 VAL 55 60.051 11.450 3.165 465 HG12 VAL 55 HG12 VAL 55 60.443 12.701 1.928 466 HG13 VAL 55 HG13 VAL 55 60.549 10.954 1.503 467 HG21 VAL 55 HG21 VAL 55 58.863 11.335 -0.490 468 HG22 VAL 55 HG22 VAL 55 58.823 13.078 -0.052 469 HG23 VAL 55 HG23 VAL 55 57.289 12.150 -0.151 470 H LEU 56 HN LEU 56 55.993 11.330 3.471 471 HA LEU 56 HA LEU 56 53.815 10.547 1.665 472 HB2 LEU 56 HB2 LEU 56 53.808 11.932 4.402 473 HB3 LEU 56 HB1 LEU 56 52.332 11.583 3.449 474 HG LEU 56 HG LEU 56 54.232 9.371 4.429 475 HD11 LEU 56 HD11 LEU 56 51.716 10.486 5.822 476 HD12 LEU 56 HD12 LEU 56 53.418 10.653 6.397 477 HD13 LEU 56 HD13 LEU 56 52.647 9.026 6.322 478 HD21 LEU 56 HD21 LEU 56 51.306 9.312 3.460 479 HD22 LEU 56 HD22 LEU 56 52.212 7.922 4.162 480 HD23 LEU 56 HD23 LEU 56 52.745 8.647 2.596 481 H ALA 57 HN ALA 57 52.621 12.153 0.618 482 HA ALA 57 HA ALA 57 53.914 14.698 0.230 483 HB1 ALA 57 HB1 ALA 57 51.201 13.662 -0.800 484 HB2 ALA 57 HB2 ALA 57 52.763 13.570 -1.687 485 HB3 ALA 57 HB3 ALA 57 52.028 15.175 -1.338 486 H HIS 58 HN HIS 58 51.079 13.336 1.920 487 HA HIS 58 HA HIS 58 50.100 15.927 2.715 488 HB2 HIS 58 HB2 HIS 58 49.161 13.126 3.573 489 HB3 HIS 58 HB1 HIS 58 48.296 14.681 3.840 490 HD1 HIS 58 HD1 HIS 58 49.289 12.304 1.032 491 HD2 HIS 58 HD2 HIS 58 46.742 15.577 1.682 492 HE1 HIS 58 HE1 HIS 58 47.819 12.534 -1.019 493 HE2 HIS 58 HE2 HIS 58 46.304 14.520 -0.588 494 H HIS 59 HN HIS 59 49.641 16.308 5.087 495 HA HIS 59 HA HIS 59 51.388 14.930 6.930 496 HB2 HIS 59 HB2 HIS 59 52.365 17.039 7.830 497 HB3 HIS 59 HB1 HIS 59 52.885 16.732 6.142 498 HD1 HIS 59 HD1 HIS 59 53.333 19.455 6.716 499 HD2 HIS 59 HD2 HIS 59 49.429 18.268 5.729 500 HE1 HIS 59 HE1 HIS 59 52.091 21.520 5.930 501 HE2 HIS 59 HE2 HIS 59 49.745 20.760 5.347 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 40.015 -13.227 15.847 2 H2 MET 1 HT2 MET 1 40.022 -11.584 15.412 3 H3 MET 1 HT3 MET 1 38.654 -12.259 16.159 4 HA MET 1 HA MET 1 39.868 -12.672 18.130 5 HB2 MET 1 HB2 MET 1 42.162 -11.722 18.471 6 HB3 MET 1 HB1 MET 1 42.086 -13.067 17.295 7 HG2 MET 1 HG2 MET 1 42.147 -11.437 15.397 8 HG3 MET 1 HG1 MET 1 42.300 -10.085 16.559 9 HE1 MET 1 HE1 MET 1 44.260 -11.019 18.823 10 HE2 MET 1 HE2 MET 1 44.280 -9.458 17.929 11 HE3 MET 1 HE3 MET 1 45.793 -10.406 18.121 12 H LEU 2 HN LEU 2 40.112 -9.675 16.123 13 HA LEU 2 HA LEU 2 39.300 -8.077 18.435 14 HB2 LEU 2 HB2 LEU 2 41.362 -7.429 17.101 15 HB3 LEU 2 HB1 LEU 2 40.316 -7.256 15.659 16 HG LEU 2 HG LEU 2 39.012 -5.462 16.899 17 HD11 LEU 2 HD11 LEU 2 41.280 -5.671 18.980 18 HD12 LEU 2 HD12 LEU 2 39.534 -6.039 19.257 19 HD13 LEU 2 HD13 LEU 2 40.049 -4.356 18.886 20 HD21 LEU 2 HD21 LEU 2 40.764 -4.900 15.235 21 HD22 LEU 2 HD22 LEU 2 42.023 -4.922 16.527 22 HD23 LEU 2 HD23 LEU 2 40.712 -3.683 16.563 23 H LYS 3 HN LYS 3 37.399 -6.830 18.341 24 HA LYS 3 HA LYS 3 35.439 -7.696 16.368 25 HB2 LYS 3 HB2 LYS 3 34.947 -7.808 18.826 26 HB3 LYS 3 HB1 LYS 3 35.086 -6.029 18.939 27 HG2 LYS 3 HG2 LYS 3 33.135 -7.335 16.955 28 HG3 LYS 3 HG1 LYS 3 32.742 -7.294 18.706 29 HD2 LYS 3 HD2 LYS 3 32.857 -4.848 18.770 30 HD3 LYS 3 HD1 LYS 3 33.346 -4.782 17.044 31 HE2 LYS 3 HE2 LYS 3 31.152 -5.855 16.383 32 HE3 LYS 3 HE1 LYS 3 30.647 -5.852 18.123 33 HZ1 LYS 3 HZ1 LYS 3 30.861 -3.457 18.114 34 HZ2 LYS 3 HZ2 LYS 3 29.773 -3.985 16.921 35 HZ3 LYS 3 HZ3 LYS 3 31.331 -3.469 16.482 36 H ASP 4 HN ASP 4 35.052 -6.413 14.620 37 HA ASP 4 HA ASP 4 36.123 -3.697 14.607 38 HB2 ASP 4 HB2 ASP 4 34.940 -5.430 12.351 39 HB3 ASP 4 HB1 ASP 4 35.563 -3.749 12.142 40 H TYR 5 HN TYR 5 34.811 -1.900 14.213 41 HA TYR 5 HA TYR 5 32.097 -2.264 15.222 42 HB2 TYR 5 HB2 TYR 5 33.870 0.211 15.107 43 HB3 TYR 5 HB1 TYR 5 32.248 0.102 15.908 44 HD1 TYR 5 HD1 TYR 5 35.833 -0.670 16.179 45 HD2 TYR 5 HD2 TYR 5 31.955 -1.399 17.880 46 HE1 TYR 5 HE1 TYR 5 36.899 -1.594 18.202 47 HE2 TYR 5 HE2 TYR 5 33.014 -2.327 19.906 48 HH TYR 5 HH TYR 5 36.590 -2.541 20.220 49 H HIS 6 HN HIS 6 32.124 0.689 14.079 50 HA HIS 6 HA HIS 6 30.693 0.210 11.660 51 HB2 HIS 6 HB2 HIS 6 30.363 2.173 13.283 52 HB3 HIS 6 HB1 HIS 6 31.929 2.826 12.747 53 HD1 HIS 6 HD1 HIS 6 28.644 1.731 11.066 54 HD2 HIS 6 HD2 HIS 6 31.679 4.600 10.637 55 HE1 HIS 6 HE1 HIS 6 27.996 3.230 9.129 56 HE2 HIS 6 HE2 HIS 6 29.853 4.939 8.899 57 H LEU 7 HN LEU 7 33.919 0.842 12.694 58 HA LEU 7 HA LEU 7 35.177 1.771 10.411 59 HB2 LEU 7 HB2 LEU 7 36.359 -0.118 12.534 60 HB3 LEU 7 HB1 LEU 7 37.288 0.983 11.459 61 HG LEU 7 HG LEU 7 35.316 1.828 13.674 62 HD11 LEU 7 HD11 LEU 7 38.395 1.898 13.636 63 HD12 LEU 7 HD12 LEU 7 37.361 0.764 14.585 64 HD13 LEU 7 HD13 LEU 7 37.325 2.531 14.944 65 HD21 LEU 7 HD21 LEU 7 35.381 3.548 11.882 66 HD22 LEU 7 HD22 LEU 7 37.186 3.561 11.933 67 HD23 LEU 7 HD23 LEU 7 36.234 4.133 13.355 68 H LYS 8 HN LYS 8 36.736 0.625 9.009 69 HA LYS 8 HA LYS 8 35.493 -1.659 7.849 70 HB2 LYS 8 HB2 LYS 8 36.599 0.289 6.598 71 HB3 LYS 8 HB1 LYS 8 38.182 -0.352 7.141 72 HG2 LYS 8 HG2 LYS 8 37.672 -2.504 5.862 73 HG3 LYS 8 HG1 LYS 8 36.087 -1.807 5.396 74 HD2 LYS 8 HD2 LYS 8 37.600 -1.583 3.521 75 HD3 LYS 8 HD1 LYS 8 37.268 0.051 4.187 76 HE2 LYS 8 HE2 LYS 8 39.665 -0.185 3.559 77 HE3 LYS 8 HE1 LYS 8 39.526 0.021 5.348 78 HZ1 LYS 8 HZ1 LYS 8 41.072 -1.693 4.759 79 HZ2 LYS 8 HZ2 LYS 8 39.887 -2.548 3.893 80 HZ3 LYS 8 HZ3 LYS 8 39.744 -2.367 5.576 81 H GLU 9 HN GLU 9 36.665 -3.734 7.440 82 HA GLU 9 HA GLU 9 38.104 -4.575 9.795 83 HB2 GLU 9 HB2 GLU 9 37.912 -6.858 8.760 84 HB3 GLU 9 HB1 GLU 9 36.338 -6.060 9.066 85 HG2 GLU 9 HG2 GLU 9 36.081 -5.447 6.692 86 HG3 GLU 9 HG1 GLU 9 37.735 -6.048 6.314 87 H MET 10 HN MET 10 40.035 -6.162 9.248 88 HA MET 10 HA MET 10 41.723 -4.840 7.218 89 HB2 MET 10 HB2 MET 10 42.523 -6.042 9.907 90 HB3 MET 10 HB1 MET 10 43.662 -5.569 8.604 91 HG2 MET 10 HG2 MET 10 43.720 -3.781 10.104 92 HG3 MET 10 HG1 MET 10 42.781 -3.231 8.683 93 HE1 MET 10 HE1 MET 10 41.485 -5.516 11.793 94 HE2 MET 10 HE2 MET 10 41.046 -4.210 12.940 95 HE3 MET 10 HE3 MET 10 42.756 -4.411 12.427 96 HA PRO 11 HA PRO 11 41.394 -9.280 6.141 97 HB2 PRO 11 HB2 PRO 11 41.161 -9.025 3.376 98 HB3 PRO 11 HB1 PRO 11 39.766 -8.747 4.488 99 HG2 PRO 11 HG1 PRO 11 41.646 -6.631 3.302 100 HG3 PRO 11 HG2 PRO 11 39.831 -6.652 3.284 101 HD2 PRO 11 HD1 PRO 11 41.246 -5.255 5.211 102 HD3 PRO 11 HD2 PRO 11 39.732 -6.137 5.647 103 H GLU 12 HN GLU 12 43.606 -6.716 5.568 104 HA GLU 12 HA GLU 12 45.853 -8.270 5.377 105 HB2 GLU 12 HB2 GLU 12 45.279 -8.615 2.931 106 HB3 GLU 12 HB1 GLU 12 44.993 -6.852 2.755 107 HG2 GLU 12 HG2 GLU 12 47.434 -6.411 3.235 108 HG3 GLU 12 HG1 GLU 12 47.703 -8.178 3.471 109 H MET 13 HN MET 13 47.214 -6.833 6.416 110 HA MET 13 HA MET 13 45.980 -4.371 7.145 111 HB2 MET 13 HB2 MET 13 48.620 -5.647 7.965 112 HB3 MET 13 HB1 MET 13 47.962 -4.114 8.660 113 HG2 MET 13 HG2 MET 13 45.897 -5.338 9.365 114 HG3 MET 13 HG1 MET 13 46.607 -6.873 8.776 115 HE1 MET 13 HE1 MET 13 46.002 -7.876 11.054 116 HE2 MET 13 HE2 MET 13 45.367 -6.287 11.604 117 HE3 MET 13 HE3 MET 13 46.495 -7.216 12.651 118 H GLU 14 HN GLU 14 47.286 -2.343 7.306 119 HA GLU 14 HA GLU 14 48.073 -1.763 4.559 120 HB2 GLU 14 HB2 GLU 14 47.155 0.456 4.976 121 HB3 GLU 14 HB1 GLU 14 45.951 -0.797 5.437 122 HG2 GLU 14 HG2 GLU 14 46.502 -0.490 7.860 123 HG3 GLU 14 HG1 GLU 14 47.734 0.753 7.442 124 H ASP 15 HN ASP 15 49.101 -1.724 7.885 125 HA ASP 15 HA ASP 15 51.111 0.270 7.450 126 HB2 ASP 15 HB2 ASP 15 51.845 0.025 9.649 127 HB3 ASP 15 HB1 ASP 15 50.059 0.113 9.666 128 H GLU 16 HN GLU 16 50.725 -3.183 7.202 129 HA GLU 16 HA GLU 16 53.377 -4.007 6.953 130 HB2 GLU 16 HB2 GLU 16 51.411 -5.557 7.159 131 HB3 GLU 16 HB1 GLU 16 50.824 -5.007 5.557 132 HG2 GLU 16 HG2 GLU 16 52.944 -5.954 4.496 133 HG3 GLU 16 HG1 GLU 16 53.468 -6.517 6.124 134 H PHE 17 HN PHE 17 50.958 -2.665 4.612 135 HA PHE 17 HA PHE 17 52.646 -2.770 2.364 136 HB2 PHE 17 HB2 PHE 17 50.161 -2.503 2.179 137 HB3 PHE 17 HB1 PHE 17 50.252 -0.924 3.008 138 HD1 PHE 17 HD1 PHE 17 51.309 -2.754 -0.089 139 HD2 PHE 17 HD2 PHE 17 50.706 1.058 1.783 140 HE1 PHE 17 HE1 PHE 17 51.577 -1.626 -2.290 141 HE2 PHE 17 HE2 PHE 17 51.064 2.178 -0.410 142 HZ PHE 17 HZ PHE 17 51.567 0.827 -2.414 143 H LEU 18 HN LEU 18 52.123 -0.256 4.889 144 HA LEU 18 HA LEU 18 53.513 1.759 3.556 145 HB2 LEU 18 HB2 LEU 18 52.453 1.259 6.338 146 HB3 LEU 18 HB1 LEU 18 53.513 2.657 6.156 147 HG LEU 18 HG LEU 18 51.036 2.161 4.396 148 HD11 LEU 18 HD11 LEU 18 51.236 3.926 6.917 149 HD12 LEU 18 HD12 LEU 18 50.322 2.378 6.765 150 HD13 LEU 18 HD13 LEU 18 49.823 3.815 5.799 151 HD21 LEU 18 HD21 LEU 18 52.694 3.713 3.356 152 HD22 LEU 18 HD22 LEU 18 52.687 4.731 4.843 153 HD23 LEU 18 HD23 LEU 18 51.199 4.580 3.837 154 H GLU 19 HN GLU 19 54.796 -0.962 5.384 155 HA GLU 19 HA GLU 19 57.305 0.512 5.869 156 HB2 GLU 19 HB2 GLU 19 56.327 -2.188 6.888 157 HB3 GLU 19 HB1 GLU 19 57.972 -1.519 7.171 158 HG2 GLU 19 HG2 GLU 19 55.316 -0.280 8.143 159 HG3 GLU 19 HG1 GLU 19 56.560 -1.130 9.124 160 H TYR 20 HN TYR 20 55.721 -1.713 3.758 161 HA TYR 20 HA TYR 20 58.078 -3.066 2.790 162 HB2 TYR 20 HB2 TYR 20 55.111 -2.847 2.005 163 HB3 TYR 20 HB1 TYR 20 56.207 -3.639 0.908 164 HD1 TYR 20 HD1 TYR 20 56.637 -4.094 4.623 165 HD2 TYR 20 HD2 TYR 20 55.358 -5.756 0.884 166 HE1 TYR 20 HE1 TYR 20 56.469 -6.312 5.677 167 HE2 TYR 20 HE2 TYR 20 55.164 -7.985 1.930 168 HH TYR 20 HH TYR 20 55.910 -8.482 5.412 169 H CYS 21 HN CYS 21 56.302 -0.184 2.283 170 HA CYS 21 HA CYS 21 56.820 0.091 -0.444 171 HB2 CYS 21 HB2 CYS 21 56.155 2.281 1.618 172 HB3 CYS 21 HB1 CYS 21 56.377 2.644 -0.118 173 HG CYS 21 HG1 CYS 21 53.894 2.657 0.388 174 H ALA 22 HN ALA 22 58.790 0.534 2.337 175 HA ALA 22 HA ALA 22 60.614 2.480 1.474 176 HB1 ALA 22 HB1 ALA 22 60.932 0.175 3.493 177 HB2 ALA 22 HB2 ALA 22 60.278 1.809 3.863 178 HB3 ALA 22 HB3 ALA 22 62.003 1.628 3.370 179 H LYS 23 HN LYS 23 60.054 -0.758 0.462 180 HA LYS 23 HA LYS 23 62.649 -1.005 -0.834 181 HB2 LYS 23 HB2 LYS 23 61.584 -3.113 0.116 182 HB3 LYS 23 HB1 LYS 23 60.178 -2.833 -0.950 183 HG2 LYS 23 HG2 LYS 23 61.950 -2.881 -2.928 184 HG3 LYS 23 HG1 LYS 23 63.082 -3.522 -1.696 185 HD2 LYS 23 HD2 LYS 23 62.177 -5.393 -2.896 186 HD3 LYS 23 HD1 LYS 23 61.400 -5.413 -1.272 187 HE2 LYS 23 HE2 LYS 23 59.313 -4.379 -2.278 188 HE3 LYS 23 HE1 LYS 23 60.133 -4.316 -3.890 189 HZ1 LYS 23 HZ1 LYS 23 60.298 -6.704 -3.844 190 HZ2 LYS 23 HZ2 LYS 23 58.687 -6.203 -3.667 191 HZ3 LYS 23 HZ3 LYS 23 59.551 -6.773 -2.320 192 H ASN 24 HN ASN 24 62.323 0.977 -1.874 193 HA ASN 24 HA ASN 24 60.187 1.594 -3.519 194 HB2 ASN 24 HB2 ASN 24 63.056 2.684 -3.645 195 HB3 ASN 24 HB1 ASN 24 61.636 3.399 -4.477 196 HD21 ASN 24 HD21 ASN 24 60.054 4.580 -1.407 197 HD22 ASN 24 HD22 ASN 24 59.687 3.909 -2.961 198 HA PRO 25 HA PRO 25 62.640 -0.090 -7.270 199 HB2 PRO 25 HB2 PRO 25 64.274 -2.382 -6.642 200 HB3 PRO 25 HB1 PRO 25 64.892 -0.718 -7.029 201 HG2 PRO 25 HG1 PRO 25 64.356 -1.964 -4.287 202 HG3 PRO 25 HG2 PRO 25 65.782 -0.973 -4.813 203 HD2 PRO 25 HD1 PRO 25 63.770 0.181 -3.380 204 HD3 PRO 25 HD2 PRO 25 64.427 1.065 -4.827 205 H SER 26 HN SER 26 61.548 -1.647 -8.487 206 HA SER 26 HA SER 26 60.065 -3.118 -8.951 207 HB2 SER 26 HB2 SER 26 61.348 -4.678 -6.649 208 HB3 SER 26 HB1 SER 26 60.070 -5.375 -7.742 209 HG SER 26 HG1 SER 26 62.672 -4.469 -8.336 210 H TYR 27 HN TYR 27 58.854 -1.180 -8.192 211 HA TYR 27 HA TYR 27 57.402 -1.282 -5.784 212 HB2 TYR 27 HB2 TYR 27 56.332 0.684 -6.482 213 HB3 TYR 27 HB1 TYR 27 58.017 0.846 -7.102 214 HD1 TYR 27 HD1 TYR 27 54.864 1.768 -7.831 215 HD2 TYR 27 HD2 TYR 27 58.000 -0.487 -9.725 216 HE1 TYR 27 HE1 TYR 27 53.785 2.099 -10.006 217 HE2 TYR 27 HE2 TYR 27 56.970 -0.086 -11.917 218 HH TYR 27 HH TYR 27 55.229 0.793 -13.040 219 H GLU 28 HN GLU 28 57.112 -2.537 -8.921 220 HA GLU 28 HA GLU 28 54.424 -2.976 -9.277 221 HB2 GLU 28 HB2 GLU 28 55.391 -4.926 -10.797 222 HB3 GLU 28 HB1 GLU 28 55.711 -3.214 -11.213 223 HG2 GLU 28 HG2 GLU 28 57.958 -3.249 -10.296 224 HG3 GLU 28 HG1 GLU 28 57.757 -4.897 -9.613 225 H GLU 29 HN GLU 29 56.910 -4.823 -7.436 226 HA GLU 29 HA GLU 29 55.229 -7.089 -7.077 227 HB2 GLU 29 HB2 GLU 29 57.731 -6.156 -5.582 228 HB3 GLU 29 HB1 GLU 29 56.898 -7.730 -5.300 229 HG2 GLU 29 HG2 GLU 29 57.266 -8.380 -7.686 230 HG3 GLU 29 HG1 GLU 29 58.141 -6.839 -7.988 231 H ALA 30 HN ALA 30 55.742 -4.001 -5.326 232 HA ALA 30 HA ALA 30 54.325 -4.895 -3.004 233 HB1 ALA 30 HB1 ALA 30 55.081 -2.046 -3.911 234 HB2 ALA 30 HB2 ALA 30 56.066 -3.098 -2.833 235 HB3 ALA 30 HB3 ALA 30 54.461 -2.502 -2.278 236 H TYR 31 HN TYR 31 53.438 -3.610 -6.153 237 HA TYR 31 HA TYR 31 50.831 -2.691 -5.320 238 HB2 TYR 31 HB2 TYR 31 51.801 -1.566 -7.281 239 HB3 TYR 31 HB1 TYR 31 52.366 -3.086 -7.925 240 HD1 TYR 31 HD1 TYR 31 48.896 -2.205 -6.775 241 HD2 TYR 31 HD2 TYR 31 51.447 -3.090 -10.098 242 HE1 TYR 31 HE1 TYR 31 46.906 -2.506 -8.193 243 HE2 TYR 31 HE2 TYR 31 49.473 -3.288 -11.566 244 HH TYR 31 HH TYR 31 46.135 -2.934 -10.271 245 H LEU 32 HN LEU 32 52.129 -5.363 -7.342 246 HA LEU 32 HA LEU 32 49.636 -6.481 -7.769 247 HB2 LEU 32 HB2 LEU 32 52.484 -7.551 -8.095 248 HB3 LEU 32 HB1 LEU 32 51.049 -8.402 -8.743 249 HG LEU 32 HG LEU 32 51.746 -5.477 -9.457 250 HD11 LEU 32 HD11 LEU 32 52.532 -8.025 -11.027 251 HD12 LEU 32 HD12 LEU 32 53.663 -6.968 -10.104 252 HD13 LEU 32 HD13 LEU 32 52.799 -6.317 -11.546 253 HD21 LEU 32 HD21 LEU 32 49.387 -6.106 -9.931 254 HD22 LEU 32 HD22 LEU 32 49.936 -7.547 -10.868 255 HD23 LEU 32 HD23 LEU 32 50.310 -5.885 -11.460 256 H LYS 33 HN LYS 33 51.957 -7.107 -5.207 257 HA LYS 33 HA LYS 33 50.996 -9.659 -4.440 258 HB2 LYS 33 HB2 LYS 33 53.250 -8.762 -3.710 259 HB3 LYS 33 HB1 LYS 33 52.428 -7.503 -2.773 260 HG2 LYS 33 HG2 LYS 33 51.370 -10.115 -1.947 261 HG3 LYS 33 HG1 LYS 33 53.161 -10.193 -1.969 262 HD2 LYS 33 HD2 LYS 33 53.332 -8.223 -0.513 263 HD3 LYS 33 HD1 LYS 33 51.551 -7.950 -0.637 264 HE2 LYS 33 HE2 LYS 33 51.031 -9.920 0.655 265 HE3 LYS 33 HE1 LYS 33 52.775 -10.440 0.711 266 HZ1 LYS 33 HZ1 LYS 33 51.619 -7.960 1.879 267 HZ2 LYS 33 HZ2 LYS 33 53.249 -8.431 1.946 268 HZ3 LYS 33 HZ3 LYS 33 52.062 -9.362 2.726 269 H PHE 34 HN PHE 34 50.397 -6.295 -3.321 270 HA PHE 34 HA PHE 34 48.492 -7.081 -1.344 271 HB2 PHE 34 HB2 PHE 34 49.539 -4.388 -2.417 272 HB3 PHE 34 HB1 PHE 34 48.213 -4.468 -1.210 273 HD1 PHE 34 HD1 PHE 34 48.700 -4.904 1.114 274 HD2 PHE 34 HD2 PHE 34 51.755 -5.445 -1.849 275 HE1 PHE 34 HE1 PHE 34 50.405 -5.126 2.895 276 HE2 PHE 34 HE2 PHE 34 53.435 -5.690 -0.102 277 HZ PHE 34 HZ PHE 34 52.805 -5.447 2.287 278 H GLY 35 HN GLY 35 47.984 -4.438 -3.676 279 HA2 GLY 35 HA2 GLY 35 46.963 -5.580 -5.758 280 HA3 GLY 35 HA1 GLY 35 45.507 -5.513 -4.674 281 H ASP 36 HN ASP 36 44.313 -3.741 -4.973 282 HA ASP 36 HA ASP 36 45.308 -1.498 -6.347 283 HB2 ASP 36 HB2 ASP 36 42.685 -1.788 -4.784 284 HB3 ASP 36 HB1 ASP 36 43.047 -0.526 -6.022 285 H LYS 37 HN LYS 37 45.986 -2.351 -3.273 286 HA LYS 37 HA LYS 37 45.618 -0.207 -1.622 287 HB2 LYS 37 HB2 LYS 37 46.395 -2.587 -1.083 288 HB3 LYS 37 HB1 LYS 37 47.986 -2.114 -1.731 289 HG2 LYS 37 HG2 LYS 37 48.401 -1.765 0.459 290 HG3 LYS 37 HG1 LYS 37 47.749 -0.131 0.136 291 HD2 LYS 37 HD2 LYS 37 46.287 -2.574 1.355 292 HD3 LYS 37 HD1 LYS 37 46.921 -1.164 2.263 293 HE2 LYS 37 HE2 LYS 37 44.583 -1.103 0.229 294 HE3 LYS 37 HE1 LYS 37 44.458 -1.017 2.029 295 HZ1 LYS 37 HZ1 LYS 37 45.698 1.031 1.977 296 HZ2 LYS 37 HZ2 LYS 37 44.316 1.132 0.993 297 HZ3 LYS 37 HZ3 LYS 37 45.848 0.947 0.287 298 H LEU 38 HN LEU 38 48.228 -0.896 -4.012 299 HA LEU 38 HA LEU 38 49.749 1.424 -3.242 300 HB2 LEU 38 HB2 LEU 38 50.837 -0.733 -4.208 301 HB3 LEU 38 HB1 LEU 38 50.043 -0.411 -5.705 302 HG LEU 38 HG LEU 38 51.702 1.862 -4.605 303 HD11 LEU 38 HD11 LEU 38 53.070 -0.700 -5.620 304 HD12 LEU 38 HD12 LEU 38 53.109 -0.072 -3.934 305 HD13 LEU 38 HD13 LEU 38 53.875 0.872 -5.265 306 HD21 LEU 38 HD21 LEU 38 50.671 2.019 -6.864 307 HD22 LEU 38 HD22 LEU 38 51.551 0.532 -7.387 308 HD23 LEU 38 HD23 LEU 38 52.472 2.034 -6.987 309 H LEU 39 HN LEU 39 47.264 0.694 -5.707 310 HA LEU 39 HA LEU 39 47.803 2.948 -7.279 311 HB2 LEU 39 HB2 LEU 39 45.143 1.478 -6.888 312 HB3 LEU 39 HB1 LEU 39 45.524 2.636 -8.204 313 HG LEU 39 HG LEU 39 46.826 -0.104 -7.699 314 HD11 LEU 39 HD11 LEU 39 45.000 0.901 -9.968 315 HD12 LEU 39 HD12 LEU 39 44.500 -0.162 -8.600 316 HD13 LEU 39 HD13 LEU 39 45.697 -0.758 -9.814 317 HD21 LEU 39 HD21 LEU 39 48.575 1.367 -8.653 318 HD22 LEU 39 HD22 LEU 39 47.442 1.928 -9.943 319 HD23 LEU 39 HD23 LEU 39 47.999 0.213 -9.902 320 H GLU 40 HN GLU 40 45.481 2.412 -4.579 321 HA GLU 40 HA GLU 40 44.342 4.988 -4.768 322 HB2 GLU 40 HB2 GLU 40 43.308 4.470 -2.571 323 HB3 GLU 40 HB1 GLU 40 43.047 3.159 -3.783 324 HG2 GLU 40 HG2 GLU 40 44.985 1.903 -2.684 325 HG3 GLU 40 HG1 GLU 40 45.070 3.171 -1.443 326 H TYR 41 HN TYR 41 47.081 3.667 -2.862 327 HA TYR 41 HA TYR 41 47.200 5.936 -1.123 328 HB2 TYR 41 HB2 TYR 41 48.853 3.415 -1.633 329 HB3 TYR 41 HB1 TYR 41 49.668 4.749 -0.821 330 HD1 TYR 41 HD1 TYR 41 49.986 3.326 1.119 331 HD2 TYR 41 HD2 TYR 41 45.993 4.470 -0.063 332 HE1 TYR 41 HE1 TYR 41 49.117 2.631 3.308 333 HE2 TYR 41 HE2 TYR 41 45.165 3.839 2.123 334 HH TYR 41 HH TYR 41 47.310 2.484 4.657 335 H GLU 42 HN GLU 42 48.312 5.202 -4.306 336 HA GLU 42 HA GLU 42 50.393 7.142 -4.407 337 HB2 GLU 42 HB2 GLU 42 50.042 5.147 -5.989 338 HB3 GLU 42 HB1 GLU 42 48.758 6.080 -6.798 339 HG2 GLU 42 HG2 GLU 42 51.725 6.918 -6.485 340 HG3 GLU 42 HG1 GLU 42 51.042 6.078 -7.921 341 H LEU 43 HN LEU 43 46.974 6.992 -5.442 342 HA LEU 43 HA LEU 43 46.756 9.634 -6.356 343 HB2 LEU 43 HB2 LEU 43 44.744 7.492 -5.463 344 HB3 LEU 43 HB1 LEU 43 44.217 9.028 -6.208 345 HG LEU 43 HG LEU 43 46.094 7.000 -7.562 346 HD11 LEU 43 HD11 LEU 43 43.059 7.374 -7.945 347 HD12 LEU 43 HD12 LEU 43 43.871 5.978 -7.140 348 HD13 LEU 43 HD13 LEU 43 44.132 6.280 -8.899 349 HD21 LEU 43 HD21 LEU 43 45.529 8.215 -9.669 350 HD22 LEU 43 HD22 LEU 43 46.368 9.284 -8.491 351 HD23 LEU 43 HD23 LEU 43 44.583 9.425 -8.724 352 H LEU 44 HN LEU 44 46.645 8.231 -3.156 353 HA LEU 44 HA LEU 44 45.003 10.235 -1.966 354 HB2 LEU 44 HB2 LEU 44 44.898 7.966 -1.143 355 HB3 LEU 44 HB1 LEU 44 46.671 7.935 -0.921 356 HG LEU 44 HG LEU 44 46.543 9.471 0.955 357 HD11 LEU 44 HD11 LEU 44 43.483 9.541 0.492 358 HD12 LEU 44 HD12 LEU 44 44.622 10.924 0.283 359 HD13 LEU 44 HD13 LEU 44 44.343 10.231 1.920 360 HD21 LEU 44 HD21 LEU 44 46.287 7.051 1.385 361 HD22 LEU 44 HD22 LEU 44 44.496 7.185 1.216 362 HD23 LEU 44 HD23 LEU 44 45.337 8.019 2.576 363 H GLY 45 HN GLY 45 48.351 9.173 -1.005 364 HA2 GLY 45 HA2 GLY 45 49.971 10.724 -2.107 365 HA3 GLY 45 HA1 GLY 45 49.207 11.974 -1.040 366 H LYS 46 HN LYS 46 49.673 8.533 -0.239 367 HA LYS 46 HA LYS 46 51.264 9.238 2.081 368 HB2 LYS 46 HB2 LYS 46 50.076 6.628 1.077 369 HB3 LYS 46 HB1 LYS 46 51.183 6.740 2.497 370 HG2 LYS 46 HG2 LYS 46 49.657 8.423 3.545 371 HG3 LYS 46 HG1 LYS 46 48.476 8.191 2.209 372 HD2 LYS 46 HD2 LYS 46 48.121 5.858 2.857 373 HD3 LYS 46 HD1 LYS 46 49.487 5.923 4.033 374 HE2 LYS 46 HE2 LYS 46 48.271 7.639 5.387 375 HE3 LYS 46 HE1 LYS 46 46.870 7.557 4.244 376 HZ1 LYS 46 HZ1 LYS 46 47.939 5.312 5.880 377 HZ2 LYS 46 HZ2 LYS 46 46.637 5.220 4.795 378 HZ3 LYS 46 HZ3 LYS 46 46.522 6.198 6.178 379 H ILE 47 HN ILE 47 51.372 7.282 -0.908 380 HA ILE 47 HA ILE 47 54.310 7.496 -1.053 381 HB ILE 47 HB ILE 47 54.105 5.748 -2.787 382 HG12 ILE 47 HG12 ILE 47 51.426 4.898 -1.738 383 HG13 ILE 47 HG11 ILE 47 51.359 6.377 -2.717 384 HG21 ILE 47 HG21 ILE 47 53.094 4.974 0.027 385 HG22 ILE 47 HG22 ILE 47 54.815 5.250 -0.450 386 HG23 ILE 47 HG23 ILE 47 53.880 3.895 -1.184 387 HD11 ILE 47 HD1 ILE 47 52.587 3.761 -3.542 388 HD12 ILE 47 HD2 ILE 47 52.573 5.230 -4.588 389 HD13 ILE 47 HD3 ILE 47 51.028 4.400 -4.140 390 H LYS 48 HN LYS 48 54.872 7.661 -3.559 391 HA LYS 48 HA LYS 48 52.721 8.660 -5.156 392 HB2 LYS 48 HB2 LYS 48 55.460 10.112 -4.925 393 HB3 LYS 48 HB1 LYS 48 54.228 10.532 -6.156 394 HG2 LYS 48 HG2 LYS 48 52.899 11.711 -4.633 395 HG3 LYS 48 HG1 LYS 48 53.468 10.782 -3.214 396 HD2 LYS 48 HD2 LYS 48 54.300 13.055 -3.076 397 HD3 LYS 48 HD1 LYS 48 55.619 11.842 -3.167 398 HE2 LYS 48 HE2 LYS 48 56.162 13.864 -4.490 399 HE3 LYS 48 HE1 LYS 48 56.030 12.424 -5.574 400 HZ1 LYS 48 HZ1 LYS 48 54.933 14.337 -6.490 401 HZ2 LYS 48 HZ2 LYS 48 53.930 14.485 -5.127 402 HZ3 LYS 48 HZ3 LYS 48 53.795 13.126 -6.137 403 H ARG 49 HN ARG 49 53.523 8.689 -7.511 404 HA ARG 49 HA ARG 49 55.926 7.184 -8.014 405 HB2 ARG 49 HB2 ARG 49 54.288 5.340 -7.702 406 HB3 ARG 49 HB1 ARG 49 53.216 6.053 -8.947 407 HG2 ARG 49 HG2 ARG 49 56.142 5.412 -9.634 408 HG3 ARG 49 HG1 ARG 49 54.961 4.079 -9.447 409 HD2 ARG 49 HD2 ARG 49 53.507 5.032 -11.236 410 HD3 ARG 49 HD1 ARG 49 54.646 6.425 -11.433 411 HE ARG 49 HE ARG 49 55.635 3.588 -11.760 412 HH11 ARG 49 HH11 ARG 49 56.586 3.074 -13.809 413 HH12 ARG 49 HH12 ARG 49 56.611 4.247 -15.083 414 HH21 ARG 49 HH21 ARG 49 54.966 6.790 -13.231 415 HH22 ARG 49 HH22 ARG 49 55.688 6.379 -14.750 416 H ILE 50 HN ILE 50 56.774 8.052 -9.935 417 HA ILE 50 HA ILE 50 55.030 9.239 -11.845 418 HB ILE 50 HB ILE 50 55.036 11.072 -10.249 419 HG12 ILE 50 HG12 ILE 50 56.003 12.911 -11.588 420 HG13 ILE 50 HG11 ILE 50 56.862 11.743 -12.638 421 HG21 ILE 50 HG21 ILE 50 58.117 11.021 -10.372 422 HG22 ILE 50 HG22 ILE 50 57.103 10.463 -8.986 423 HG23 ILE 50 HG23 ILE 50 57.084 12.190 -9.481 424 HD11 ILE 50 HD1 ILE 50 54.726 12.597 -13.667 425 HD12 ILE 50 HD2 ILE 50 53.788 11.918 -12.285 426 HD13 ILE 50 HD3 ILE 50 54.657 10.816 -13.419 427 H ASN 51 HN ASN 51 58.251 8.482 -10.546 428 HA ASN 51 HA ASN 51 59.606 9.182 -12.927 429 HB2 ASN 51 HB2 ASN 51 60.622 9.365 -10.650 430 HB3 ASN 51 HB1 ASN 51 60.550 7.589 -10.455 431 HD21 ASN 51 HD21 ASN 51 63.730 7.177 -11.980 432 HD22 ASN 51 HD22 ASN 51 62.523 6.621 -10.868 433 H HIS 52 HN HIS 52 59.891 5.990 -11.306 434 HA HIS 52 HA HIS 52 59.035 4.603 -13.715 435 HB2 HIS 52 HB2 HIS 52 61.526 4.935 -14.017 436 HB3 HIS 52 HB1 HIS 52 61.801 4.268 -12.375 437 HD1 HIS 52 HD1 HIS 52 60.074 3.094 -15.609 438 HD2 HIS 52 HD2 HIS 52 62.367 1.562 -12.444 439 HE1 HIS 52 HE1 HIS 52 60.452 0.632 -16.074 440 HE2 HIS 52 HE2 HIS 52 61.828 -0.254 -14.140 441 H ILE 53 HN ILE 53 59.989 4.880 -10.329 442 HA ILE 53 HA ILE 53 58.524 2.445 -9.631 443 HB ILE 53 HB ILE 53 60.148 2.102 -7.795 444 HG12 ILE 53 HG12 ILE 53 62.018 3.949 -9.422 445 HG13 ILE 53 HG11 ILE 53 61.130 4.484 -7.951 446 HG21 ILE 53 HG21 ILE 53 61.253 1.817 -10.658 447 HG22 ILE 53 HG22 ILE 53 60.071 0.711 -9.861 448 HG23 ILE 53 HG23 ILE 53 61.739 0.858 -9.213 449 HD11 ILE 53 HD1 ILE 53 62.135 2.598 -6.666 450 HD12 ILE 53 HD2 ILE 53 63.354 3.807 -7.241 451 HD13 ILE 53 HD3 ILE 53 63.203 2.209 -8.070 452 H VAL 54 HN VAL 54 58.246 2.624 -7.091 453 HA VAL 54 HA VAL 54 56.765 5.015 -6.677 454 HB VAL 54 HB VAL 54 56.065 2.690 -6.005 455 HG11 VAL 54 HG11 VAL 54 58.068 3.044 -3.672 456 HG12 VAL 54 HG12 VAL 54 58.319 1.947 -5.081 457 HG13 VAL 54 HG13 VAL 54 56.944 1.672 -3.953 458 HG21 VAL 54 HG21 VAL 54 54.894 4.649 -5.121 459 HG22 VAL 54 HG22 VAL 54 56.076 4.786 -3.758 460 HG23 VAL 54 HG23 VAL 54 55.002 3.351 -3.883 461 H VAL 55 HN VAL 55 57.178 6.583 -5.032 462 HA VAL 55 HA VAL 55 59.768 6.429 -3.674 463 HB VAL 55 HB VAL 55 59.877 8.911 -3.700 464 HG11 VAL 55 HG11 VAL 55 59.886 7.588 -6.497 465 HG12 VAL 55 HG12 VAL 55 61.214 7.497 -5.279 466 HG13 VAL 55 HG13 VAL 55 60.766 9.083 -6.011 467 HG21 VAL 55 HG21 VAL 55 57.458 9.416 -4.142 468 HG22 VAL 55 HG22 VAL 55 57.596 8.700 -5.794 469 HG23 VAL 55 HG23 VAL 55 58.518 10.185 -5.371 470 H LEU 56 HN LEU 56 59.620 7.433 -1.510 471 HA LEU 56 HA LEU 56 56.923 7.227 -0.408 472 HB2 LEU 56 HB2 LEU 56 59.645 7.824 0.882 473 HB3 LEU 56 HB1 LEU 56 58.098 7.729 1.787 474 HG LEU 56 HG LEU 56 59.246 5.369 0.181 475 HD11 LEU 56 HD11 LEU 56 59.608 6.019 3.176 476 HD12 LEU 56 HD12 LEU 56 60.896 6.043 1.913 477 HD13 LEU 56 HD13 LEU 56 60.099 4.488 2.360 478 HD21 LEU 56 HD21 LEU 56 56.835 5.130 0.650 479 HD22 LEU 56 HD22 LEU 56 57.109 5.503 2.395 480 HD23 LEU 56 HD23 LEU 56 57.793 3.998 1.681 481 H ALA 57 HN ALA 57 55.933 9.085 0.632 482 HA ALA 57 HA ALA 57 56.722 11.631 -0.518 483 HB1 ALA 57 HB1 ALA 57 54.394 10.898 1.370 484 HB2 ALA 57 HB2 ALA 57 54.295 11.101 -0.412 485 HB3 ALA 57 HB3 ALA 57 54.684 12.517 0.628 486 H HIS 58 HN HIS 58 55.795 10.514 2.793 487 HA HIS 58 HA HIS 58 58.200 11.797 3.902 488 HB2 HIS 58 HB2 HIS 58 56.139 12.693 4.949 489 HB3 HIS 58 HB1 HIS 58 55.524 11.037 5.229 490 HD1 HIS 58 HD1 HIS 58 58.656 13.061 6.185 491 HD2 HIS 58 HD2 HIS 58 56.109 10.127 7.774 492 HE1 HIS 58 HE1 HIS 58 59.438 12.583 8.548 493 HE2 HIS 58 HE2 HIS 58 57.882 10.805 9.466 494 H HIS 59 HN HIS 59 56.150 9.226 5.297 495 HA HIS 59 HA HIS 59 57.661 7.142 4.075 496 HB2 HIS 59 HB2 HIS 59 59.098 7.619 6.115 497 HB3 HIS 59 HB1 HIS 59 57.668 7.327 7.158 498 HD1 HIS 59 HD1 HIS 59 56.649 4.747 6.825 499 HD2 HIS 59 HD2 HIS 59 60.547 5.387 5.406 500 HE1 HIS 59 HE1 HIS 59 57.718 2.473 6.509 501 HE2 HIS 59 HE2 HIS 59 60.059 2.902 5.645
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