NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
634239 | 6do6 | 30477 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS -7 HN HIS -7 4.099 -21.237 16.994 2 HA HIS -7 HA HIS -7 2.490 -23.287 16.683 3 HB2 HIS -7 HB2 HIS -7 0.813 -21.600 15.524 4 HB3 HIS -7 HB3 HIS -7 1.626 -20.851 16.859 5 HD1 HIS -7 HD1 HIS -7 2.982 -18.745 16.424 6 HD2 HIS -7 HD2 HIS -7 1.892 -20.682 12.833 7 HE1 HIS -7 HE1 HIS -7 3.611 -17.250 14.489 8 H HIS -6 HN HIS -6 4.692 -24.131 15.250 9 HA HIS -6 HA HIS -6 5.291 -25.349 13.532 10 HB2 HIS -6 HB2 HIS -6 2.305 -25.870 13.100 11 HB3 HIS -6 HB3 HIS -6 3.624 -26.925 12.655 12 HD1 HIS -6 HD1 HIS -6 5.113 -27.896 14.771 13 HD2 HIS -6 HD2 HIS -6 1.309 -26.330 15.719 14 HE1 HIS -6 HE1 HIS -6 4.474 -28.694 17.083 15 H HIS -5 HN HIS -5 4.030 -25.929 10.960 16 HA HIS -5 HA HIS -5 4.647 -23.473 9.485 17 HB2 HIS -5 HB2 HIS -5 3.778 -26.265 8.614 18 HB3 HIS -5 HB3 HIS -5 4.112 -24.961 7.504 19 HD1 HIS -5 HD1 HIS -5 5.756 -27.525 7.317 20 HD2 HIS -5 HD2 HIS -5 7.013 -24.186 9.570 21 HE1 HIS -5 HE1 HIS -5 8.266 -27.637 7.580 22 H HIS -4 HN HIS -4 1.778 -24.964 10.797 23 HA HIS -4 HA HIS -4 -0.377 -24.517 10.760 24 HB2 HIS -4 HB2 HIS -4 0.608 -22.386 11.666 25 HB3 HIS -4 HB3 HIS -4 0.531 -21.673 10.079 26 HD1 HIS -4 HD1 HIS -4 -1.347 -20.057 9.986 27 HD2 HIS -4 HD2 HIS -4 -2.407 -23.429 12.288 28 HE1 HIS -4 HE1 HIS -4 -3.744 -19.779 10.756 29 H HIS -3 HN HIS -3 0.571 -25.591 8.302 30 HA HIS -3 HA HIS -3 0.141 -26.015 6.178 31 HB2 HIS -3 HB2 HIS -3 -2.229 -26.245 6.855 32 HB3 HIS -3 HB3 HIS -3 -2.519 -24.549 6.596 33 HD1 HIS -3 HD1 HIS -3 -1.950 -27.774 4.690 34 HD2 HIS -3 HD2 HIS -3 -2.957 -23.760 3.873 35 HE1 HIS -3 HE1 HIS -3 -2.711 -27.614 2.284 36 H HIS -2 HN HIS -2 1.953 -24.843 5.483 37 HA HIS -2 HA HIS -2 1.979 -22.058 4.890 38 HB2 HIS -2 HB2 HIS -2 3.752 -24.430 4.465 39 HB3 HIS -2 HB3 HIS -2 3.886 -23.243 3.210 40 HD1 HIS -2 HD1 HIS -2 3.461 -22.458 6.958 41 HD2 HIS -2 HD2 HIS -2 6.274 -21.982 3.845 42 HE1 HIS -2 HE1 HIS -2 5.371 -21.048 7.814 43 H VAL -1 HN VAL -1 1.511 -20.880 3.138 44 HA VAL -1 HA VAL -1 0.200 -22.196 0.797 45 HB VAL -1 HB VAL -1 -0.494 -19.641 2.320 46 HG11 VAL -1 HG11 VAL -1 -2.414 -19.361 0.693 47 HG12 VAL -1 HG12 VAL -1 -0.849 -19.000 0.016 48 HG13 VAL -1 HG13 VAL -1 -1.637 -20.536 -0.362 49 HG21 VAL -1 HG21 VAL -1 -1.437 -21.647 3.370 50 HG22 VAL -1 HG22 VAL -1 -2.721 -20.712 2.634 51 HG23 VAL -1 HG23 VAL -1 -2.130 -22.168 1.839 52 H ALA 0 HN ALA 0 0.784 -21.466 -1.192 53 HA ALA 0 HA ALA 0 3.164 -19.781 -1.460 54 HB1 ALA 0 HB1 ALA 0 2.955 -21.882 -2.765 55 HB2 ALA 0 HB2 ALA 0 1.471 -21.300 -3.516 56 HB3 ALA 0 HB3 ALA 0 3.003 -20.497 -3.845 57 H MET 1 HN MET 1 3.270 -17.885 -2.628 58 HA MET 1 HA MET 1 2.757 -15.862 -3.259 59 HB2 MET 1 HB2 MET 1 0.058 -16.860 -4.282 60 HB3 MET 1 HB3 MET 1 0.898 -15.426 -4.772 61 HG2 MET 1 HG2 MET 1 2.310 -18.081 -5.217 62 HG3 MET 1 HG3 MET 1 0.943 -17.684 -6.197 63 HE1 MET 1 HE1 MET 1 3.461 -14.693 -5.102 64 HE2 MET 1 HE2 MET 1 4.431 -16.178 -4.988 65 HE3 MET 1 HE3 MET 1 4.742 -15.002 -6.270 66 H SER 2 HN SER 2 2.348 -16.474 -0.599 67 HA SER 2 HA SER 2 0.098 -14.893 0.365 68 HB2 SER 2 HB2 SER 2 2.495 -16.276 1.684 69 HB3 SER 2 HB3 SER 2 1.399 -15.248 2.587 70 HG SER 2 HG SER 2 -0.311 -16.564 2.018 71 H PHE 3 HN PHE 3 0.158 -12.745 0.923 72 HA PHE 3 HA PHE 3 2.461 -11.105 0.159 73 HB2 PHE 3 HB2 PHE 3 -0.142 -10.270 1.534 74 HB3 PHE 3 HB3 PHE 3 1.051 -9.240 0.811 75 HD1 PHE 3 HD1 PHE 3 0.518 -8.261 -1.230 76 HD2 PHE 3 HD2 PHE 3 -1.208 -12.097 -0.243 77 HE1 PHE 3 HE1 PHE 3 -0.999 -8.115 -3.163 78 HE2 PHE 3 HE2 PHE 3 -2.697 -11.911 -2.173 79 HZ PHE 3 HZ PHE 3 -2.651 -9.889 -3.571 80 H SER 4 HN SER 4 3.830 -12.400 1.776 81 HA SER 4 HA SER 4 3.729 -11.244 4.507 82 HB2 SER 4 HB2 SER 4 4.085 -13.460 5.448 83 HB3 SER 4 HB3 SER 4 2.585 -13.412 4.554 84 HG SER 4 HG SER 4 5.052 -14.458 3.625 85 H GLY 5 HN GLY 5 5.495 -10.056 4.712 86 HA2 GLY 5 HA2 GLY 5 8.096 -10.861 4.842 87 HA3 GLY 5 HA1 GLY 5 7.896 -10.561 3.115 88 H LYS 6 HN LYS 6 9.611 -8.937 3.757 89 HA LYS 6 HA LYS 6 8.426 -6.307 4.523 90 HB2 LYS 6 HB2 LYS 6 10.111 -7.664 6.142 91 HB3 LYS 6 HB3 LYS 6 11.330 -7.041 5.070 92 HG2 LYS 6 HG2 LYS 6 10.260 -4.698 5.544 93 HG3 LYS 6 HG3 LYS 6 9.249 -5.524 6.700 94 HD2 LYS 6 HD2 LYS 6 11.447 -6.359 7.813 95 HD3 LYS 6 HD3 LYS 6 12.257 -5.177 6.810 96 HE2 LYS 6 HE2 LYS 6 10.706 -3.385 7.800 97 HE3 LYS 6 HE3 LYS 6 10.092 -4.603 8.900 98 HZ1 LYS 6 HZ1 LYS 6 12.884 -3.738 8.703 99 HZ2 LYS 6 HZ2 LYS 6 12.307 -4.894 9.730 100 HZ3 LYS 6 HZ3 LYS 6 11.809 -3.332 9.888 101 H TYR 7 HN TYR 7 8.893 -4.637 3.150 102 HA TYR 7 HA TYR 7 10.609 -5.147 0.772 103 HB2 TYR 7 HB2 TYR 7 7.776 -4.040 0.548 104 HB3 TYR 7 HB3 TYR 7 8.789 -4.669 -0.714 105 HD1 TYR 7 HD1 TYR 7 6.404 -5.406 1.984 106 HD2 TYR 7 HD2 TYR 7 8.954 -7.175 -1.019 107 HE1 TYR 7 HE1 TYR 7 5.211 -7.563 2.233 108 HE2 TYR 7 HE2 TYR 7 7.757 -9.324 -0.771 109 HH TYR 7 HH TYR 7 5.999 -10.434 0.249 110 H GLN 8 HN GLN 8 11.927 -3.406 0.425 111 HA GLN 8 HA GLN 8 11.329 -0.792 1.641 112 HB2 GLN 8 HB2 GLN 8 13.637 -1.782 1.575 113 HB3 GLN 8 HB3 GLN 8 13.611 -1.685 -0.164 114 HG2 GLN 8 HG2 GLN 8 13.161 0.949 0.310 115 HG3 GLN 8 HG3 GLN 8 13.735 0.562 1.896 116 HE21 GLN 8 HE21 GLN 8 14.552 1.252 -1.388 117 HE22 GLN 8 HE22 GLN 8 16.279 1.040 -1.258 118 H LEU 9 HN LEU 9 10.798 1.053 0.493 119 HA LEU 9 HA LEU 9 9.522 1.077 -2.032 120 HB2 LEU 9 HB2 LEU 9 9.343 2.799 -0.152 121 HB3 LEU 9 HB3 LEU 9 10.967 3.290 -0.511 122 HG LEU 9 HG LEU 9 10.143 3.843 -2.906 123 HD11 LEU 9 HD11 LEU 9 7.523 3.058 -1.642 124 HD12 LEU 9 HD12 LEU 9 8.086 2.871 -3.297 125 HD13 LEU 9 HD13 LEU 9 7.526 4.434 -2.740 126 HD21 LEU 9 HD21 LEU 9 10.231 5.430 -0.604 127 HD22 LEU 9 HD22 LEU 9 8.659 5.775 -1.285 128 HD23 LEU 9 HD23 LEU 9 10.104 5.979 -2.265 129 H GLN 10 HN GLN 10 10.345 0.966 -4.038 130 HA GLN 10 HA GLN 10 13.248 1.403 -4.542 131 HB2 GLN 10 HB2 GLN 10 11.033 0.293 -6.344 132 HB3 GLN 10 HB3 GLN 10 12.718 0.402 -6.754 133 HG2 GLN 10 HG2 GLN 10 11.489 -1.383 -4.602 134 HG3 GLN 10 HG3 GLN 10 12.150 -1.897 -6.128 135 HE21 GLN 10 HE21 GLN 10 12.833 -1.470 -2.824 136 HE22 GLN 10 HE22 GLN 10 14.571 -1.612 -2.907 137 H SER 11 HN SER 11 9.979 2.403 -5.673 138 HA SER 11 HA SER 11 10.765 5.109 -6.170 139 HB2 SER 11 HB2 SER 11 10.530 5.087 -8.628 140 HB3 SER 11 HB3 SER 11 11.833 4.026 -8.176 141 HG SER 11 HG SER 11 10.464 3.090 -9.713 142 H GLN 12 HN GLN 12 8.924 6.268 -7.403 143 HA GLN 12 HA GLN 12 6.302 5.168 -7.269 144 HB2 GLN 12 HB2 GLN 12 5.421 6.723 -5.499 145 HB3 GLN 12 HB3 GLN 12 6.444 5.456 -4.907 146 HG2 GLN 12 HG2 GLN 12 8.391 7.170 -4.873 147 HG3 GLN 12 HG3 GLN 12 7.210 8.406 -5.233 148 HE21 GLN 12 HE21 GLN 12 8.706 8.710 -2.986 149 HE22 GLN 12 HE22 GLN 12 7.763 8.389 -1.557 150 H GLU 13 HN GLU 13 4.746 6.482 -8.225 151 HA GLU 13 HA GLU 13 5.735 8.830 -9.793 152 HB2 GLU 13 HB2 GLU 13 4.062 6.414 -10.615 153 HB3 GLU 13 HB3 GLU 13 4.116 7.871 -11.564 154 HG2 GLU 13 HG2 GLU 13 6.548 7.603 -11.943 155 HG3 GLU 13 HG3 GLU 13 6.593 6.208 -10.887 156 H ASN 14 HN ASN 14 4.324 10.477 -10.069 157 HA ASN 14 HA ASN 14 2.844 11.977 -9.530 158 HB2 ASN 14 HB2 ASN 14 0.863 9.632 -9.630 159 HB3 ASN 14 HB3 ASN 14 0.365 11.298 -9.544 160 HD21 ASN 14 HD21 ASN 14 -0.009 9.210 -11.695 161 HD22 ASN 14 HD22 ASN 14 0.500 10.044 -13.143 162 H PHE 15 HN PHE 15 4.308 10.799 -7.349 163 HA PHE 15 HA PHE 15 2.781 10.441 -5.020 164 HB2 PHE 15 HB2 PHE 15 5.070 9.673 -5.155 165 HB3 PHE 15 HB3 PHE 15 5.673 11.269 -5.486 166 HD1 PHE 15 HD1 PHE 15 4.317 9.031 -2.846 167 HD2 PHE 15 HD2 PHE 15 5.903 12.958 -3.665 168 HE1 PHE 15 HE1 PHE 15 4.613 9.435 -0.438 169 HE2 PHE 15 HE2 PHE 15 6.120 13.342 -1.254 170 HZ PHE 15 HZ PHE 15 5.524 11.585 0.358 171 H GLU 16 HN GLU 16 4.330 13.441 -6.240 172 HA GLU 16 HA GLU 16 3.538 15.003 -4.026 173 HB2 GLU 16 HB2 GLU 16 4.341 15.880 -6.828 174 HB3 GLU 16 HB3 GLU 16 4.285 16.915 -5.427 175 HG2 GLU 16 HG2 GLU 16 6.037 15.453 -4.304 176 HG3 GLU 16 HG3 GLU 16 6.150 14.498 -5.762 177 H ALA 17 HN ALA 17 1.917 14.321 -7.104 178 HA ALA 17 HA ALA 17 -0.198 16.239 -6.829 179 HB1 ALA 17 HB1 ALA 17 -1.243 14.890 -8.654 180 HB2 ALA 17 HB2 ALA 17 0.435 15.263 -9.016 181 HB3 ALA 17 HB3 ALA 17 -0.007 13.652 -8.461 182 H PHE 18 HN PHE 18 0.184 12.794 -5.884 183 HA PHE 18 HA PHE 18 -2.552 12.489 -5.038 184 HB2 PHE 18 HB2 PHE 18 -1.297 10.679 -6.010 185 HB3 PHE 18 HB3 PHE 18 -0.081 10.732 -4.769 186 HD1 PHE 18 HD1 PHE 18 -0.437 9.632 -2.608 187 HD2 PHE 18 HD2 PHE 18 -3.683 9.960 -5.433 188 HE1 PHE 18 HE1 PHE 18 -1.802 8.094 -1.249 189 HE2 PHE 18 HE2 PHE 18 -5.010 8.413 -4.057 190 HZ PHE 18 HZ PHE 18 -4.071 7.482 -1.974 191 H MET 19 HN MET 19 0.546 12.945 -3.276 192 HA MET 19 HA MET 19 -0.632 12.678 -0.711 193 HB2 MET 19 HB2 MET 19 1.866 12.479 -1.528 194 HB3 MET 19 HB3 MET 19 1.945 14.175 -1.219 195 HG2 MET 19 HG2 MET 19 2.356 13.627 0.975 196 HG3 MET 19 HG3 MET 19 0.716 13.066 1.115 197 HE1 MET 19 HE1 MET 19 0.991 10.379 -0.958 198 HE2 MET 19 HE2 MET 19 1.205 9.170 0.312 199 HE3 MET 19 HE3 MET 19 0.006 10.453 0.511 200 H LYS 20 HN LYS 20 -0.372 15.370 -2.961 201 HA LYS 20 HA LYS 20 -1.282 17.427 -1.118 202 HB2 LYS 20 HB2 LYS 20 0.163 17.954 -3.020 203 HB3 LYS 20 HB3 LYS 20 -0.967 17.261 -4.135 204 HG2 LYS 20 HG2 LYS 20 -2.191 19.436 -2.521 205 HG3 LYS 20 HG3 LYS 20 -0.752 19.965 -3.315 206 HD2 LYS 20 HD2 LYS 20 -3.029 18.562 -4.782 207 HD3 LYS 20 HD3 LYS 20 -2.908 20.294 -4.623 208 HE2 LYS 20 HE2 LYS 20 -0.712 20.272 -5.840 209 HE3 LYS 20 HE3 LYS 20 -0.794 18.529 -5.994 210 HZ1 LYS 20 HZ1 LYS 20 -2.801 18.775 -7.252 211 HZ2 LYS 20 HZ2 LYS 20 -1.556 19.604 -7.946 212 HZ3 LYS 20 HZ3 LYS 20 -2.727 20.416 -7.118 213 H ALA 21 HN ALA 21 -2.789 15.177 -3.495 214 HA ALA 21 HA ALA 21 -5.371 16.368 -3.466 215 HB1 ALA 21 HB1 ALA 21 -6.064 14.250 -4.604 216 HB2 ALA 21 HB2 ALA 21 -4.624 14.949 -5.321 217 HB3 ALA 21 HB3 ALA 21 -4.492 13.548 -4.256 218 H ILE 22 HN ILE 22 -3.871 14.061 -1.236 219 HA ILE 22 HA ILE 22 -6.434 13.545 0.140 220 HB ILE 22 HB ILE 22 -5.112 12.218 1.697 221 HG12 ILE 22 HG12 ILE 22 -2.683 12.847 0.007 222 HG13 ILE 22 HG13 ILE 22 -2.933 13.478 1.604 223 HG21 ILE 22 HG21 ILE 22 -6.059 11.201 -0.377 224 HG22 ILE 22 HG22 ILE 22 -4.509 11.407 -1.179 225 HG23 ILE 22 HG23 ILE 22 -4.653 10.340 0.211 226 HD11 ILE 22 HD11 ILE 22 -1.516 11.645 2.006 227 HD12 ILE 22 HD12 ILE 22 -3.103 10.952 2.349 228 HD13 ILE 22 HD13 ILE 22 -2.311 10.626 0.810 229 H GLY 23 HN GLY 23 -3.834 15.878 0.261 230 HA2 GLY 23 HA2 GLY 23 -4.033 17.897 1.342 231 HA3 GLY 23 HA1 GLY 23 -5.254 17.277 2.423 232 H LEU 24 HN LEU 24 -2.029 15.668 1.961 233 HA LEU 24 HA LEU 24 -1.245 16.158 4.713 234 HB2 LEU 24 HB2 LEU 24 -0.165 14.659 2.368 235 HB3 LEU 24 HB3 LEU 24 1.072 15.424 3.299 236 HG LEU 24 HG LEU 24 0.261 14.352 5.359 237 HD11 LEU 24 HD11 LEU 24 -2.034 13.578 3.730 238 HD12 LEU 24 HD12 LEU 24 -1.815 13.537 5.471 239 HD13 LEU 24 HD13 LEU 24 -1.317 12.175 4.486 240 HD21 LEU 24 HD21 LEU 24 1.925 13.280 3.487 241 HD22 LEU 24 HD22 LEU 24 0.753 11.986 3.617 242 HD23 LEU 24 HD23 LEU 24 1.601 12.555 5.048 243 HA PRO 25 HA PRO 25 0.462 20.208 4.096 244 HB2 PRO 25 HB2 PRO 25 2.536 20.272 5.935 245 HB3 PRO 25 HB3 PRO 25 0.833 20.292 6.367 246 HG2 PRO 25 HG2 PRO 25 2.663 17.893 6.251 247 HG3 PRO 25 HG3 PRO 25 1.632 18.365 7.597 248 HD2 PRO 25 HD2 PRO 25 0.811 16.496 5.830 249 HD3 PRO 25 HD3 PRO 25 -0.359 17.704 6.383 250 H GLU 26 HN GLU 26 1.829 21.214 2.746 251 HA GLU 26 HA GLU 26 3.103 19.749 0.814 252 HB2 GLU 26 HB2 GLU 26 1.968 21.948 0.654 253 HB3 GLU 26 HB3 GLU 26 3.328 22.722 1.414 254 HG2 GLU 26 HG2 GLU 26 4.800 22.129 -0.496 255 HG3 GLU 26 HG3 GLU 26 3.506 21.195 -1.228 256 H GLU 27 HN GLU 27 4.651 21.051 3.721 257 HA GLU 27 HA GLU 27 7.364 20.662 2.904 258 HB2 GLU 27 HB2 GLU 27 6.952 22.025 4.804 259 HB3 GLU 27 HB3 GLU 27 5.971 20.820 5.591 260 HG2 GLU 27 HG2 GLU 27 7.953 19.397 6.004 261 HG3 GLU 27 HG3 GLU 27 8.970 20.470 5.057 262 H LEU 28 HN LEU 28 5.043 18.484 4.591 263 HA LEU 28 HA LEU 28 6.843 16.294 4.808 264 HB2 LEU 28 HB2 LEU 28 4.815 16.789 6.247 265 HB3 LEU 28 HB3 LEU 28 3.794 16.343 4.908 266 HG LEU 28 HG LEU 28 4.676 14.026 4.991 267 HD11 LEU 28 HD11 LEU 28 6.718 15.152 6.787 268 HD12 LEU 28 HD12 LEU 28 6.668 13.590 5.983 269 HD13 LEU 28 HD13 LEU 28 5.897 13.804 7.544 270 HD21 LEU 28 HD21 LEU 28 3.347 13.317 6.792 271 HD22 LEU 28 HD22 LEU 28 2.654 14.870 6.355 272 HD23 LEU 28 HD23 LEU 28 3.699 14.745 7.764 273 H ILE 29 HN ILE 29 4.894 17.418 2.124 274 HA ILE 29 HA ILE 29 5.038 14.948 0.593 275 HB ILE 29 HB ILE 29 4.633 17.809 -0.403 276 HG12 ILE 29 HG12 ILE 29 2.519 15.747 0.293 277 HG13 ILE 29 HG13 ILE 29 2.849 17.176 1.204 278 HG21 ILE 29 HG21 ILE 29 4.051 15.152 -1.788 279 HG22 ILE 29 HG22 ILE 29 3.711 16.752 -2.450 280 HG23 ILE 29 HG23 ILE 29 5.355 16.243 -2.221 281 HD11 ILE 29 HD11 ILE 29 1.574 16.976 -1.518 282 HD12 ILE 29 HD12 ILE 29 1.009 17.843 -0.094 283 HD13 ILE 29 HD13 ILE 29 2.344 18.486 -1.045 284 H GLN 30 HN GLN 30 6.694 18.181 0.315 285 HA GLN 30 HA GLN 30 8.522 17.292 -1.615 286 HB2 GLN 30 HB2 GLN 30 8.143 19.797 -0.006 287 HB3 GLN 30 HB3 GLN 30 9.698 19.579 -0.732 288 HG2 GLN 30 HG2 GLN 30 8.288 20.858 -2.243 289 HG3 GLN 30 HG3 GLN 30 8.760 19.352 -2.982 290 HE21 GLN 30 HE21 GLN 30 7.114 18.078 -3.904 291 HE22 GLN 30 HE22 GLN 30 5.421 18.360 -3.604 292 H LYS 31 HN LYS 31 8.845 17.015 1.871 293 HA LYS 31 HA LYS 31 11.687 16.210 1.598 294 HB2 LYS 31 HB2 LYS 31 9.890 16.350 4.056 295 HB3 LYS 31 HB3 LYS 31 11.581 15.908 4.036 296 HG2 LYS 31 HG2 LYS 31 12.041 18.207 2.926 297 HG3 LYS 31 HG3 LYS 31 10.410 18.630 3.334 298 HD2 LYS 31 HD2 LYS 31 12.730 18.093 5.204 299 HD3 LYS 31 HD3 LYS 31 11.777 19.540 5.033 300 HE2 LYS 31 HE2 LYS 31 9.764 18.113 5.929 301 HE3 LYS 31 HE3 LYS 31 10.971 16.941 6.403 302 HZ1 LYS 31 HZ1 LYS 31 10.815 19.749 7.260 303 HZ2 LYS 31 HZ2 LYS 31 12.053 18.724 7.661 304 HZ3 LYS 31 HZ3 LYS 31 10.513 18.418 8.173 305 H GLY 32 HN GLY 32 8.446 14.793 2.268 306 HA2 GLY 32 HA2 GLY 32 9.287 12.192 2.976 307 HA3 GLY 32 HA1 GLY 32 7.692 12.655 2.438 308 H LYS 33 HN LYS 33 8.981 13.648 -0.263 309 HA LYS 33 HA LYS 33 8.770 11.217 -1.750 310 HB2 LYS 33 HB2 LYS 33 9.498 12.572 -3.656 311 HB3 LYS 33 HB3 LYS 33 8.160 13.287 -2.824 312 HG2 LYS 33 HG2 LYS 33 9.326 15.128 -2.128 313 HG3 LYS 33 HG3 LYS 33 10.852 14.319 -1.972 314 HD2 LYS 33 HD2 LYS 33 11.089 14.248 -4.455 315 HD3 LYS 33 HD3 LYS 33 9.529 14.985 -4.641 316 HE2 LYS 33 HE2 LYS 33 11.314 16.648 -4.958 317 HE3 LYS 33 HE3 LYS 33 10.357 17.083 -3.555 318 HZ1 LYS 33 HZ1 LYS 33 12.897 15.600 -3.413 319 HZ2 LYS 33 HZ2 LYS 33 12.026 16.204 -2.156 320 HZ3 LYS 33 HZ3 LYS 33 12.751 17.236 -3.213 321 H ASP 34 HN ASP 34 11.541 12.959 -0.356 322 HA ASP 34 HA ASP 34 13.473 11.128 -1.628 323 HB2 ASP 34 HB2 ASP 34 14.015 13.581 0.064 324 HB3 ASP 34 HB3 ASP 34 15.230 12.583 -0.736 325 H ILE 35 HN ILE 35 11.771 11.438 1.409 326 HA ILE 35 HA ILE 35 13.716 9.903 2.938 327 HB ILE 35 HB ILE 35 10.751 10.397 3.408 328 HG12 ILE 35 HG12 ILE 35 12.233 12.410 3.648 329 HG13 ILE 35 HG13 ILE 35 11.301 11.989 5.042 330 HG21 ILE 35 HG21 ILE 35 11.172 8.309 4.564 331 HG22 ILE 35 HG22 ILE 35 12.716 8.884 5.182 332 HG23 ILE 35 HG23 ILE 35 11.221 9.566 5.786 333 HD11 ILE 35 HD11 ILE 35 14.221 11.108 4.807 334 HD12 ILE 35 HD12 ILE 35 13.762 12.687 5.423 335 HD13 ILE 35 HD13 ILE 35 13.231 11.235 6.259 336 H LYS 36 HN LYS 36 14.238 7.918 2.359 337 HA LYS 36 HA LYS 36 12.700 6.213 0.698 338 HB2 LYS 36 HB2 LYS 36 14.474 4.599 1.079 339 HB3 LYS 36 HB3 LYS 36 15.091 6.170 0.714 340 HG2 LYS 36 HG2 LYS 36 16.522 5.833 2.426 341 HG3 LYS 36 HG3 LYS 36 15.219 6.347 3.439 342 HD2 LYS 36 HD2 LYS 36 16.035 4.375 4.452 343 HD3 LYS 36 HD3 LYS 36 14.550 3.878 3.698 344 HE2 LYS 36 HE2 LYS 36 15.839 2.940 1.746 345 HE3 LYS 36 HE3 LYS 36 17.337 3.418 2.523 346 HZ1 LYS 36 HZ1 LYS 36 16.764 1.141 2.912 347 HZ2 LYS 36 HZ2 LYS 36 15.353 1.570 3.645 348 HZ3 LYS 36 HZ3 LYS 36 16.796 1.975 4.338 349 H GLY 37 HN GLY 37 11.006 5.035 1.148 350 HA2 GLY 37 HA2 GLY 37 10.100 4.662 3.943 351 HA3 GLY 37 HA1 GLY 37 9.154 4.528 2.470 352 H VAL 38 HN VAL 38 8.956 2.609 4.389 353 HA VAL 38 HA VAL 38 9.790 0.189 2.926 354 HB VAL 38 HB VAL 38 10.059 0.593 5.955 355 HG11 VAL 38 HG11 VAL 38 9.233 -1.687 5.688 356 HG12 VAL 38 HG12 VAL 38 10.376 -2.002 4.379 357 HG13 VAL 38 HG13 VAL 38 10.943 -1.774 6.026 358 HG21 VAL 38 HG21 VAL 38 12.224 -0.002 3.894 359 HG22 VAL 38 HG22 VAL 38 12.043 1.483 4.826 360 HG23 VAL 38 HG23 VAL 38 12.464 -0.009 5.638 361 H SER 39 HN SER 39 8.270 -1.463 3.073 362 HA SER 39 HA SER 39 5.837 -1.017 4.693 363 HB2 SER 39 HB2 SER 39 5.303 -0.448 2.320 364 HB3 SER 39 HB3 SER 39 5.940 -1.991 1.787 365 HG SER 39 HG SER 39 3.741 -1.613 3.546 366 H GLU 40 HN GLU 40 4.897 -2.915 5.494 367 HA GLU 40 HA GLU 40 6.348 -5.461 5.191 368 HB2 GLU 40 HB2 GLU 40 7.494 -4.257 7.013 369 HB3 GLU 40 HB3 GLU 40 6.002 -3.975 7.827 370 HG2 GLU 40 HG2 GLU 40 5.674 -6.396 8.258 371 HG3 GLU 40 HG3 GLU 40 7.080 -6.781 7.286 372 H ILE 41 HN ILE 41 4.810 -6.752 4.526 373 HA ILE 41 HA ILE 41 1.989 -6.332 5.405 374 HB ILE 41 HB ILE 41 2.956 -7.948 3.003 375 HG12 ILE 41 HG12 ILE 41 2.146 -5.016 2.818 376 HG13 ILE 41 HG13 ILE 41 3.802 -5.529 2.762 377 HG21 ILE 41 HG21 ILE 41 0.308 -6.566 3.593 378 HG22 ILE 41 HG22 ILE 41 0.640 -7.508 2.157 379 HG23 ILE 41 HG23 ILE 41 0.566 -8.292 3.720 380 HD11 ILE 41 HD11 ILE 41 2.987 -7.129 0.779 381 HD12 ILE 41 HD12 ILE 41 1.717 -5.916 0.644 382 HD13 ILE 41 HD13 ILE 41 3.406 -5.444 0.513 383 H VAL 42 HN VAL 42 0.814 -8.199 6.134 384 HA VAL 42 HA VAL 42 2.236 -10.799 6.250 385 HB VAL 42 HB VAL 42 0.882 -9.663 8.743 386 HG11 VAL 42 HG11 VAL 42 1.903 -11.584 9.889 387 HG12 VAL 42 HG12 VAL 42 0.878 -12.141 8.579 388 HG13 VAL 42 HG13 VAL 42 2.623 -12.132 8.378 389 HG21 VAL 42 HG21 VAL 42 3.876 -9.747 8.239 390 HG22 VAL 42 HG22 VAL 42 2.895 -8.305 8.498 391 HG23 VAL 42 HG23 VAL 42 3.112 -9.459 9.798 392 H GLN 43 HN GLN 43 0.843 -11.848 4.884 393 HA GLN 43 HA GLN 43 -2.048 -11.790 5.373 394 HB2 GLN 43 HB2 GLN 43 -1.238 -12.088 3.086 395 HB3 GLN 43 HB3 GLN 43 -0.370 -13.535 3.523 396 HG2 GLN 43 HG2 GLN 43 -2.508 -14.701 4.099 397 HG3 GLN 43 HG3 GLN 43 -3.398 -13.212 3.878 398 HE21 GLN 43 HE21 GLN 43 -4.643 -14.869 2.537 399 HE22 GLN 43 HE22 GLN 43 -4.204 -14.982 0.847 400 H ASN 44 HN ASN 44 -3.019 -12.978 6.860 401 HA ASN 44 HA ASN 44 -1.823 -15.499 7.887 402 HB2 ASN 44 HB2 ASN 44 -3.151 -13.214 9.462 403 HB3 ASN 44 HB3 ASN 44 -2.944 -14.823 10.112 404 HD21 ASN 44 HD21 ASN 44 -1.798 -12.161 10.955 405 HD22 ASN 44 HD22 ASN 44 -0.090 -12.478 11.090 406 H GLY 45 HN GLY 45 -3.116 -16.264 6.029 407 HA2 GLY 45 HA2 GLY 45 -4.931 -17.442 5.265 408 HA3 GLY 45 HA1 GLY 45 -5.774 -17.156 6.780 409 H LYS 46 HN LYS 46 -7.598 -15.907 6.528 410 HA LYS 46 HA LYS 46 -8.010 -14.152 4.224 411 HB2 LYS 46 HB2 LYS 46 -9.693 -14.643 6.716 412 HB3 LYS 46 HB3 LYS 46 -10.200 -13.724 5.327 413 HG2 LYS 46 HG2 LYS 46 -9.628 -16.723 5.368 414 HG3 LYS 46 HG3 LYS 46 -11.178 -15.957 5.362 415 HD2 LYS 46 HD2 LYS 46 -11.110 -16.373 3.128 416 HD3 LYS 46 HD3 LYS 46 -10.330 -14.830 3.096 417 HE2 LYS 46 HE2 LYS 46 -9.100 -16.360 1.664 418 HE3 LYS 46 HE3 LYS 46 -8.062 -15.971 3.011 419 HZ1 LYS 46 HZ1 LYS 46 -8.060 -18.286 2.541 420 HZ2 LYS 46 HZ2 LYS 46 -9.692 -18.393 2.750 421 HZ3 LYS 46 HZ3 LYS 46 -8.718 -18.039 4.032 422 H HIS 47 HN HIS 47 -6.805 -13.764 7.528 423 HA HIS 47 HA HIS 47 -7.286 -10.926 7.667 424 HB2 HIS 47 HB2 HIS 47 -7.050 -12.412 9.663 425 HB3 HIS 47 HB3 HIS 47 -5.370 -12.662 9.278 426 HD1 HIS 47 HD1 HIS 47 -7.782 -9.916 10.344 427 HD2 HIS 47 HD2 HIS 47 -3.617 -10.563 10.163 428 HE1 HIS 47 HE1 HIS 47 -6.624 -8.016 11.550 429 H PHE 48 HN PHE 48 -5.818 -9.247 7.445 430 HA PHE 48 HA PHE 48 -3.162 -9.689 6.216 431 HB2 PHE 48 HB2 PHE 48 -5.485 -8.086 5.118 432 HB3 PHE 48 HB3 PHE 48 -3.854 -7.605 4.758 433 HD1 PHE 48 HD1 PHE 48 -6.407 -10.199 4.137 434 HD2 PHE 48 HD2 PHE 48 -2.388 -8.896 3.285 435 HE1 PHE 48 HE1 PHE 48 -6.298 -11.742 2.212 436 HE2 PHE 48 HE2 PHE 48 -2.332 -10.419 1.356 437 HZ PHE 48 HZ PHE 48 -4.265 -11.821 0.811 438 H LYS 49 HN LYS 49 -1.748 -8.614 7.458 439 HA LYS 49 HA LYS 49 -2.487 -5.942 8.506 440 HB2 LYS 49 HB2 LYS 49 -0.253 -7.864 9.167 441 HB3 LYS 49 HB3 LYS 49 0.133 -6.176 9.148 442 HG2 LYS 49 HG2 LYS 49 -1.865 -5.727 10.649 443 HG3 LYS 49 HG3 LYS 49 -1.959 -7.453 10.912 444 HD2 LYS 49 HD2 LYS 49 0.354 -7.439 11.831 445 HD3 LYS 49 HD3 LYS 49 0.539 -5.749 11.422 446 HE2 LYS 49 HE2 LYS 49 -1.395 -5.202 12.979 447 HE3 LYS 49 HE3 LYS 49 -1.425 -6.889 13.473 448 HZ1 LYS 49 HZ1 LYS 49 0.854 -6.610 14.208 449 HZ2 LYS 49 HZ2 LYS 49 -0.168 -5.549 14.953 450 HZ3 LYS 49 HZ3 LYS 49 0.824 -5.021 13.746 451 H PHE 50 HN PHE 50 -1.534 -4.132 7.755 452 HA PHE 50 HA PHE 50 0.483 -4.221 5.597 453 HB2 PHE 50 HB2 PHE 50 -2.297 -3.059 5.399 454 HB3 PHE 50 HB3 PHE 50 -1.007 -2.084 4.771 455 HD1 PHE 50 HD1 PHE 50 -2.649 -5.423 4.411 456 HD2 PHE 50 HD2 PHE 50 0.144 -2.602 2.719 457 HE1 PHE 50 HE1 PHE 50 -2.632 -6.678 2.296 458 HE2 PHE 50 HE2 PHE 50 0.144 -3.890 0.623 459 HZ PHE 50 HZ PHE 50 -1.248 -5.909 0.404 460 H THR 51 HN THR 51 2.114 -3.526 6.880 461 HA THR 51 HA THR 51 1.779 -1.010 8.426 462 HB THR 51 HB THR 51 4.193 -2.859 8.190 463 HG1 THR 51 HG1 THR 51 2.530 -3.875 9.243 464 HG21 THR 51 HG21 THR 51 4.947 -0.610 8.887 465 HG22 THR 51 HG22 THR 51 4.990 -1.687 10.269 466 HG23 THR 51 HG23 THR 51 3.674 -0.527 10.101 467 H ILE 52 HN ILE 52 2.763 0.878 7.721 468 HA ILE 52 HA ILE 52 4.696 0.821 5.483 469 HB ILE 52 HB ILE 52 2.333 2.758 5.607 470 HG12 ILE 52 HG12 ILE 52 2.780 0.596 3.519 471 HG13 ILE 52 HG13 ILE 52 1.610 0.484 4.801 472 HG21 ILE 52 HG21 ILE 52 3.201 3.579 3.379 473 HG22 ILE 52 HG22 ILE 52 4.342 3.865 4.663 474 HG23 ILE 52 HG23 ILE 52 4.592 2.521 3.554 475 HD11 ILE 52 HD11 ILE 52 0.719 2.821 3.821 476 HD12 ILE 52 HD12 ILE 52 1.480 2.208 2.353 477 HD13 ILE 52 HD13 ILE 52 0.220 1.275 3.148 478 H THR 53 HN THR 53 6.395 2.144 5.964 479 HA THR 53 HA THR 53 6.072 4.265 8.034 480 HB THR 53 HB THR 53 8.393 2.283 7.763 481 HG1 THR 53 HG1 THR 53 7.730 1.783 9.917 482 HG21 THR 53 HG21 THR 53 9.331 4.473 8.478 483 HG22 THR 53 HG22 THR 53 9.294 3.385 9.849 484 HG23 THR 53 HG23 THR 53 8.073 4.644 9.697 485 H ALA 54 HN ALA 54 6.672 6.180 7.272 486 HA ALA 54 HA ALA 54 8.972 6.678 5.670 487 HB1 ALA 54 HB1 ALA 54 7.534 5.861 3.783 488 HB2 ALA 54 HB2 ALA 54 6.241 6.949 4.270 489 HB3 ALA 54 HB3 ALA 54 7.759 7.593 3.649 490 H GLY 55 HN GLY 55 9.395 8.938 5.575 491 HA2 GLY 55 HA2 GLY 55 9.288 11.137 6.185 492 HA3 GLY 55 HA1 GLY 55 7.554 10.988 6.371 493 H SER 56 HN SER 56 9.690 8.851 8.220 494 HA SER 56 HA SER 56 10.056 8.463 10.342 495 HB2 SER 56 HB2 SER 56 10.076 11.518 10.577 496 HB3 SER 56 HB3 SER 56 10.434 10.471 11.929 497 HG SER 56 HG SER 56 12.294 11.027 10.807 498 H LYS 57 HN LYS 57 7.248 8.526 9.363 499 HA LYS 57 HA LYS 57 6.018 8.155 12.026 500 HB2 LYS 57 HB2 LYS 57 3.876 9.039 11.226 501 HB3 LYS 57 HB3 LYS 57 5.125 10.235 11.232 502 HG2 LYS 57 HG2 LYS 57 4.095 10.761 9.261 503 HG3 LYS 57 HG3 LYS 57 5.394 9.798 8.689 504 HD2 LYS 57 HD2 LYS 57 3.577 9.005 7.429 505 HD3 LYS 57 HD3 LYS 57 3.699 7.793 8.650 506 HE2 LYS 57 HE2 LYS 57 1.363 8.310 8.416 507 HE3 LYS 57 HE3 LYS 57 1.848 8.949 9.971 508 HZ1 LYS 57 HZ1 LYS 57 2.014 11.108 8.931 509 HZ2 LYS 57 HZ2 LYS 57 0.515 10.465 8.678 510 HZ3 LYS 57 HZ3 LYS 57 1.620 10.470 7.462 511 H VAL 58 HN VAL 58 4.493 6.497 12.143 512 HA VAL 58 HA VAL 58 4.776 4.378 10.051 513 HB VAL 58 HB VAL 58 4.263 4.123 13.058 514 HG11 VAL 58 HG11 VAL 58 3.219 2.209 11.946 515 HG12 VAL 58 HG12 VAL 58 4.650 1.945 10.952 516 HG13 VAL 58 HG13 VAL 58 4.703 1.662 12.687 517 HG21 VAL 58 HG21 VAL 58 6.833 3.544 11.531 518 HG22 VAL 58 HG22 VAL 58 6.596 4.805 12.733 519 HG23 VAL 58 HG23 VAL 58 6.536 3.121 13.212 520 H ILE 59 HN ILE 59 2.944 3.430 9.319 521 HA ILE 59 HA ILE 59 0.288 4.048 10.542 522 HB ILE 59 HB ILE 59 0.818 3.368 7.590 523 HG12 ILE 59 HG12 ILE 59 -0.101 5.859 7.315 524 HG13 ILE 59 HG13 ILE 59 0.615 6.093 8.877 525 HG21 ILE 59 HG21 ILE 59 -1.551 4.040 7.266 526 HG22 ILE 59 HG22 ILE 59 -1.440 2.714 8.398 527 HG23 ILE 59 HG23 ILE 59 -1.714 4.348 8.990 528 HD11 ILE 59 HD11 ILE 59 2.866 5.540 7.941 529 HD12 ILE 59 HD12 ILE 59 2.140 4.974 6.441 530 HD13 ILE 59 HD13 ILE 59 2.093 6.674 6.861 531 H GLN 60 HN GLN 60 -0.710 2.183 11.211 532 HA GLN 60 HA GLN 60 0.026 -0.400 9.922 533 HB2 GLN 60 HB2 GLN 60 -0.498 0.110 12.882 534 HB3 GLN 60 HB3 GLN 60 -0.764 -1.439 12.136 535 HG2 GLN 60 HG2 GLN 60 1.675 -1.350 11.298 536 HG3 GLN 60 HG3 GLN 60 1.914 0.001 12.376 537 HE21 GLN 60 HE21 GLN 60 1.956 -0.414 14.673 538 HE22 GLN 60 HE22 GLN 60 1.993 -2.031 15.325 539 H ASN 61 HN ASN 61 -1.565 -1.501 9.128 540 HA ASN 61 HA ASN 61 -4.369 -0.802 9.776 541 HB2 ASN 61 HB2 ASN 61 -3.030 -1.413 7.063 542 HB3 ASN 61 HB3 ASN 61 -4.747 -1.593 7.303 543 HD21 ASN 61 HD21 ASN 61 -3.107 0.403 5.628 544 HD22 ASN 61 HD22 ASN 61 -3.853 1.925 6.058 545 H GLU 62 HN GLU 62 -5.760 -2.476 9.906 546 HA GLU 62 HA GLU 62 -4.874 -5.249 9.396 547 HB2 GLU 62 HB2 GLU 62 -6.186 -4.148 11.916 548 HB3 GLU 62 HB3 GLU 62 -6.483 -5.780 11.405 549 HG2 GLU 62 HG2 GLU 62 -4.005 -6.234 11.448 550 HG3 GLU 62 HG3 GLU 62 -3.719 -4.597 12.006 551 H PHE 63 HN PHE 63 -6.316 -6.359 8.256 552 HA PHE 63 HA PHE 63 -9.114 -5.797 8.388 553 HB2 PHE 63 HB2 PHE 63 -9.510 -5.428 5.996 554 HB3 PHE 63 HB3 PHE 63 -8.536 -4.151 6.635 555 HD1 PHE 63 HD1 PHE 63 -6.161 -3.911 5.933 556 HD2 PHE 63 HD2 PHE 63 -8.586 -7.137 4.408 557 HE1 PHE 63 HE1 PHE 63 -4.595 -4.231 4.071 558 HE2 PHE 63 HE2 PHE 63 -6.956 -7.476 2.597 559 HZ PHE 63 HZ PHE 63 -4.993 -6.006 2.397 560 H THR 64 HN THR 64 -10.335 -7.370 6.922 561 HA THR 64 HA THR 64 -8.883 -9.906 6.476 562 HB THR 64 HB THR 64 -11.531 -9.563 7.991 563 HG1 THR 64 HG1 THR 64 -9.757 -9.276 9.259 564 HG21 THR 64 HG21 THR 64 -11.699 -11.616 6.544 565 HG22 THR 64 HG22 THR 64 -11.574 -12.035 8.241 566 HG23 THR 64 HG23 THR 64 -10.165 -12.183 7.202 567 H VAL 65 HN VAL 65 -9.314 -10.629 4.424 568 HA VAL 65 HA VAL 65 -11.015 -9.033 2.759 569 HB VAL 65 HB VAL 65 -10.460 -10.562 0.939 570 HG11 VAL 65 HG11 VAL 65 -8.040 -10.085 0.833 571 HG12 VAL 65 HG12 VAL 65 -8.982 -8.710 1.389 572 HG13 VAL 65 HG13 VAL 65 -8.055 -9.654 2.540 573 HG21 VAL 65 HG21 VAL 65 -8.938 -12.285 2.932 574 HG22 VAL 65 HG22 VAL 65 -10.321 -12.770 1.956 575 HG23 VAL 65 HG23 VAL 65 -8.798 -12.390 1.184 576 H GLY 66 HN GLY 66 -12.944 -9.430 1.838 577 HA2 GLY 66 HA2 GLY 66 -14.986 -10.446 1.427 578 HA3 GLY 66 HA1 GLY 66 -14.564 -11.835 2.407 579 H GLU 67 HN GLU 67 -13.642 -9.489 4.479 580 HA GLU 67 HA GLU 67 -16.311 -9.035 5.747 581 HB2 GLU 67 HB2 GLU 67 -13.488 -9.097 6.933 582 HB3 GLU 67 HB3 GLU 67 -14.924 -8.787 7.830 583 HG2 GLU 67 HG2 GLU 67 -14.324 -11.449 6.424 584 HG3 GLU 67 HG3 GLU 67 -14.003 -11.109 8.102 585 H GLU 68 HN GLU 68 -16.514 -6.947 6.869 586 HA GLU 68 HA GLU 68 -15.144 -4.710 5.492 587 HB2 GLU 68 HB2 GLU 68 -17.634 -4.751 5.628 588 HB3 GLU 68 HB3 GLU 68 -17.543 -4.739 7.363 589 HG2 GLU 68 HG2 GLU 68 -16.416 -2.492 7.314 590 HG3 GLU 68 HG3 GLU 68 -16.407 -2.532 5.567 591 H CYS 69 HN CYS 69 -13.584 -3.541 6.461 592 HA CYS 69 HA CYS 69 -13.215 -3.552 9.392 593 HB2 CYS 69 HB2 CYS 69 -11.110 -4.454 7.358 594 HB3 CYS 69 HB3 CYS 69 -10.703 -3.943 8.986 595 HG CYS 69 HG CYS 69 -12.671 -6.402 8.044 596 H GLU 70 HN GLU 70 -11.798 -1.846 10.119 597 HA GLU 70 HA GLU 70 -12.209 0.541 8.488 598 HB2 GLU 70 HB2 GLU 70 -12.672 -0.043 11.124 599 HB3 GLU 70 HB3 GLU 70 -11.119 0.718 11.272 600 HG2 GLU 70 HG2 GLU 70 -11.969 2.745 10.081 601 HG3 GLU 70 HG3 GLU 70 -13.496 1.960 9.807 602 H LEU 71 HN LEU 71 -10.680 1.206 7.136 603 HA LEU 71 HA LEU 71 -7.823 0.560 7.616 604 HB2 LEU 71 HB2 LEU 71 -9.443 1.374 5.158 605 HB3 LEU 71 HB3 LEU 71 -7.704 1.413 5.152 606 HG LEU 71 HG LEU 71 -9.351 -1.073 5.691 607 HD11 LEU 71 HD11 LEU 71 -7.688 -1.073 3.239 608 HD12 LEU 71 HD12 LEU 71 -8.942 0.141 3.205 609 HD13 LEU 71 HD13 LEU 71 -9.358 -1.545 3.486 610 HD21 LEU 71 HD21 LEU 71 -7.446 -1.895 6.626 611 HD22 LEU 71 HD22 LEU 71 -6.484 -0.523 6.095 612 HD23 LEU 71 HD23 LEU 71 -6.724 -1.877 5.025 613 H GLU 72 HN GLU 72 -6.476 2.008 8.279 614 HA GLU 72 HA GLU 72 -7.130 4.827 8.551 615 HB2 GLU 72 HB2 GLU 72 -6.036 3.305 10.303 616 HB3 GLU 72 HB3 GLU 72 -4.614 3.286 9.317 617 HG2 GLU 72 HG2 GLU 72 -4.253 5.689 9.573 618 HG3 GLU 72 HG3 GLU 72 -5.773 5.883 10.415 619 H THR 73 HN THR 73 -5.927 6.499 7.586 620 HA THR 73 HA THR 73 -4.248 5.814 5.204 621 HB THR 73 HB THR 73 -5.186 7.829 4.164 622 HG1 THR 73 HG1 THR 73 -5.680 9.123 5.894 623 HG21 THR 73 HG21 THR 73 -7.569 6.199 5.142 624 HG22 THR 73 HG22 THR 73 -6.431 5.619 3.930 625 HG23 THR 73 HG23 THR 73 -7.374 7.065 3.618 626 H MET 74 HN MET 74 -2.955 7.795 4.511 627 HA MET 74 HA MET 74 -0.961 8.369 6.370 628 HB2 MET 74 HB2 MET 74 -1.725 9.860 3.815 629 HB3 MET 74 HB3 MET 74 -0.200 10.020 4.632 630 HG2 MET 74 HG2 MET 74 -1.162 7.365 3.466 631 HG3 MET 74 HG3 MET 74 -0.213 8.536 2.591 632 HE1 MET 74 HE1 MET 74 0.735 5.541 2.823 633 HE2 MET 74 HE2 MET 74 1.602 6.832 1.972 634 HE3 MET 74 HE3 MET 74 2.457 5.811 3.134 635 H THR 75 HN THR 75 -3.876 10.258 5.605 636 HA THR 75 HA THR 75 -3.165 12.642 7.072 637 HB THR 75 HB THR 75 -5.533 13.238 6.660 638 HG1 THR 75 HG1 THR 75 -6.760 11.602 6.787 639 HG21 THR 75 HG21 THR 75 -4.230 12.052 4.166 640 HG22 THR 75 HG22 THR 75 -4.146 13.722 4.740 641 HG23 THR 75 HG23 THR 75 -5.667 13.058 4.174 642 H GLY 76 HN GLY 76 -4.304 9.515 8.068 643 HA2 GLY 76 HA2 GLY 76 -4.360 8.857 10.290 644 HA3 GLY 76 HA1 GLY 76 -4.719 10.478 10.840 645 H GLU 77 HN GLU 77 -6.900 10.170 8.308 646 HA GLU 77 HA GLU 77 -9.152 9.514 9.959 647 HB2 GLU 77 HB2 GLU 77 -8.821 9.771 6.937 648 HB3 GLU 77 HB3 GLU 77 -10.321 9.270 7.636 649 HG2 GLU 77 HG2 GLU 77 -10.841 11.462 7.555 650 HG3 GLU 77 HG3 GLU 77 -10.050 11.528 9.102 651 H LYS 78 HN LYS 78 -10.340 7.700 10.182 652 HA LYS 78 HA LYS 78 -9.463 5.196 8.818 653 HB2 LYS 78 HB2 LYS 78 -10.801 5.468 11.555 654 HB3 LYS 78 HB3 LYS 78 -10.293 4.000 10.758 655 HG2 LYS 78 HG2 LYS 78 -7.900 5.008 10.764 656 HG3 LYS 78 HG3 LYS 78 -8.514 6.204 11.863 657 HD2 LYS 78 HD2 LYS 78 -7.486 4.531 13.192 658 HD3 LYS 78 HD3 LYS 78 -9.199 4.359 13.443 659 HE2 LYS 78 HE2 LYS 78 -9.338 2.313 12.245 660 HE3 LYS 78 HE3 LYS 78 -7.915 2.646 11.288 661 HZ1 LYS 78 HZ1 LYS 78 -7.874 2.033 14.145 662 HZ2 LYS 78 HZ2 LYS 78 -6.561 2.381 13.206 663 HZ3 LYS 78 HZ3 LYS 78 -7.447 1.018 12.912 664 H VAL 79 HN VAL 79 -11.000 4.213 7.595 665 HA VAL 79 HA VAL 79 -13.858 4.915 7.962 666 HB VAL 79 HB VAL 79 -14.212 5.067 5.563 667 HG11 VAL 79 HG11 VAL 79 -12.142 7.149 6.355 668 HG12 VAL 79 HG12 VAL 79 -13.386 7.305 5.121 669 HG13 VAL 79 HG13 VAL 79 -13.844 7.174 6.812 670 HG21 VAL 79 HG21 VAL 79 -12.388 3.755 4.564 671 HG22 VAL 79 HG22 VAL 79 -12.410 5.362 3.903 672 HG23 VAL 79 HG23 VAL 79 -11.200 4.939 5.113 673 H LYS 80 HN LYS 80 -15.241 3.237 7.636 674 HA LYS 80 HA LYS 80 -14.162 0.567 7.461 675 HB2 LYS 80 HB2 LYS 80 -16.999 1.663 7.664 676 HB3 LYS 80 HB3 LYS 80 -16.651 -0.017 7.393 677 HG2 LYS 80 HG2 LYS 80 -15.097 0.067 9.465 678 HG3 LYS 80 HG3 LYS 80 -15.887 1.578 9.847 679 HD2 LYS 80 HD2 LYS 80 -18.093 0.428 9.885 680 HD3 LYS 80 HD3 LYS 80 -17.347 -1.066 9.376 681 HE2 LYS 80 HE2 LYS 80 -15.954 -1.068 11.493 682 HE3 LYS 80 HE3 LYS 80 -16.820 0.360 12.031 683 HZ1 LYS 80 HZ1 LYS 80 -17.765 -1.645 12.897 684 HZ2 LYS 80 HZ2 LYS 80 -18.024 -2.240 11.379 685 HZ3 LYS 80 HZ3 LYS 80 -18.852 -0.912 11.894 686 H THR 81 HN THR 81 -14.131 -0.850 5.854 687 HA THR 81 HA THR 81 -15.494 -0.519 3.350 688 HB THR 81 HB THR 81 -13.739 1.125 2.889 689 HG1 THR 81 HG1 THR 81 -12.983 0.273 1.097 690 HG21 THR 81 HG21 THR 81 -11.312 0.564 2.934 691 HG22 THR 81 HG22 THR 81 -11.653 -0.992 3.666 692 HG23 THR 81 HG23 THR 81 -11.979 0.490 4.555 693 H VAL 82 HN VAL 82 -15.430 -2.377 2.114 694 HA VAL 82 HA VAL 82 -14.339 -4.823 3.347 695 HB VAL 82 HB VAL 82 -16.042 -4.340 0.858 696 HG11 VAL 82 HG11 VAL 82 -15.197 -7.007 2.093 697 HG12 VAL 82 HG12 VAL 82 -16.468 -6.828 0.891 698 HG13 VAL 82 HG13 VAL 82 -14.817 -6.435 0.469 699 HG21 VAL 82 HG21 VAL 82 -17.904 -5.315 2.154 700 HG22 VAL 82 HG22 VAL 82 -16.859 -5.498 3.555 701 HG23 VAL 82 HG23 VAL 82 -17.291 -3.892 2.973 702 H VAL 83 HN VAL 83 -12.644 -5.992 2.477 703 HA VAL 83 HA VAL 83 -11.249 -4.853 0.083 704 HB VAL 83 HB VAL 83 -10.013 -6.604 2.253 705 HG11 VAL 83 HG11 VAL 83 -8.842 -5.135 -0.148 706 HG12 VAL 83 HG12 VAL 83 -7.853 -5.677 1.173 707 HG13 VAL 83 HG13 VAL 83 -8.743 -6.836 0.209 708 HG21 VAL 83 HG21 VAL 83 -8.804 -4.381 2.887 709 HG22 VAL 83 HG22 VAL 83 -10.150 -3.583 2.098 710 HG23 VAL 83 HG23 VAL 83 -10.442 -4.631 3.467 711 H GLN 84 HN GLN 84 -10.832 -6.180 -1.581 712 HA GLN 84 HA GLN 84 -11.891 -8.972 -1.540 713 HB2 GLN 84 HB2 GLN 84 -11.690 -6.874 -3.775 714 HB3 GLN 84 HB3 GLN 84 -12.181 -8.517 -4.038 715 HG2 GLN 84 HG2 GLN 84 -13.686 -6.466 -2.342 716 HG3 GLN 84 HG3 GLN 84 -14.127 -7.001 -3.943 717 HE21 GLN 84 HE21 GLN 84 -15.810 -7.124 -1.590 718 HE22 GLN 84 HE22 GLN 84 -16.184 -8.807 -1.328 719 H LEU 85 HN LEU 85 -10.818 -10.480 -2.911 720 HA LEU 85 HA LEU 85 -8.043 -9.888 -3.687 721 HB2 LEU 85 HB2 LEU 85 -7.860 -10.747 -1.455 722 HB3 LEU 85 HB3 LEU 85 -8.933 -12.066 -1.731 723 HG LEU 85 HG LEU 85 -6.471 -11.943 -3.465 724 HD11 LEU 85 HD11 LEU 85 -6.286 -12.051 -0.509 725 HD12 LEU 85 HD12 LEU 85 -5.085 -11.629 -1.720 726 HD13 LEU 85 HD13 LEU 85 -5.393 -13.311 -1.339 727 HD21 LEU 85 HD21 LEU 85 -7.097 -14.516 -2.155 728 HD22 LEU 85 HD22 LEU 85 -6.909 -14.132 -3.854 729 HD23 LEU 85 HD23 LEU 85 -8.455 -13.893 -3.065 730 H GLU 86 HN GLU 86 -7.435 -10.868 -5.529 731 HA GLU 86 HA GLU 86 -9.390 -12.635 -6.941 732 HB2 GLU 86 HB2 GLU 86 -7.180 -10.885 -8.108 733 HB3 GLU 86 HB3 GLU 86 -8.359 -11.792 -8.995 734 HG2 GLU 86 HG2 GLU 86 -10.206 -10.365 -8.098 735 HG3 GLU 86 HG3 GLU 86 -9.055 -9.425 -7.176 736 H GLY 87 HN GLY 87 -8.457 -14.290 -8.281 737 HA2 GLY 87 HA2 GLY 87 -6.488 -15.915 -6.953 738 HA3 GLY 87 HA1 GLY 87 -7.360 -16.269 -8.428 739 H ASP 88 HN ASP 88 -5.512 -13.266 -8.353 740 HA ASP 88 HA ASP 88 -3.306 -14.437 -9.978 741 HB2 ASP 88 HB2 ASP 88 -5.186 -13.097 -11.262 742 HB3 ASP 88 HB3 ASP 88 -4.586 -11.709 -10.424 743 H ASN 89 HN ASN 89 -3.583 -13.747 -7.018 744 HA ASN 89 HA ASN 89 -2.268 -12.931 -5.352 745 HB2 ASN 89 HB2 ASN 89 -0.192 -11.883 -7.278 746 HB3 ASN 89 HB3 ASN 89 0.054 -12.501 -5.666 747 HD21 ASN 89 HD21 ASN 89 1.357 -13.004 -8.301 748 HD22 ASN 89 HD22 ASN 89 1.305 -14.736 -8.519 749 H LYS 90 HN LYS 90 -4.316 -11.244 -6.558 750 HA LYS 90 HA LYS 90 -3.172 -8.515 -6.168 751 HB2 LYS 90 HB2 LYS 90 -5.658 -9.421 -7.662 752 HB3 LYS 90 HB3 LYS 90 -5.114 -7.777 -7.541 753 HG2 LYS 90 HG2 LYS 90 -3.110 -8.263 -8.877 754 HG3 LYS 90 HG3 LYS 90 -3.432 -9.966 -8.843 755 HD2 LYS 90 HD2 LYS 90 -4.230 -9.459 -10.943 756 HD3 LYS 90 HD3 LYS 90 -5.691 -9.438 -10.015 757 HE2 LYS 90 HE2 LYS 90 -5.928 -7.474 -11.253 758 HE3 LYS 90 HE3 LYS 90 -5.221 -6.818 -9.790 759 HZ1 LYS 90 HZ1 LYS 90 -3.044 -7.055 -10.939 760 HZ2 LYS 90 HZ2 LYS 90 -4.081 -6.012 -11.704 761 HZ3 LYS 90 HZ3 LYS 90 -3.836 -7.539 -12.285 762 H LEU 91 HN LEU 91 -4.261 -7.039 -4.898 763 HA LEU 91 HA LEU 91 -6.689 -7.879 -3.392 764 HB2 LEU 91 HB2 LEU 91 -4.288 -6.249 -2.474 765 HB3 LEU 91 HB3 LEU 91 -5.795 -6.160 -1.632 766 HG LEU 91 HG LEU 91 -4.362 -8.795 -1.995 767 HD11 LEU 91 HD11 LEU 91 -2.811 -8.281 -0.429 768 HD12 LEU 91 HD12 LEU 91 -4.037 -7.749 0.700 769 HD13 LEU 91 HD13 LEU 91 -3.356 -6.610 -0.443 770 HD21 LEU 91 HD21 LEU 91 -6.845 -8.722 -1.302 771 HD22 LEU 91 HD22 LEU 91 -6.315 -8.014 0.210 772 HD23 LEU 91 HD23 LEU 91 -5.769 -9.622 -0.254 773 H VAL 92 HN VAL 92 -8.226 -6.200 -3.116 774 HA VAL 92 HA VAL 92 -7.743 -3.584 -4.414 775 HB VAL 92 HB VAL 92 -10.158 -5.369 -5.016 776 HG11 VAL 92 HG11 VAL 92 -10.929 -3.037 -4.942 777 HG12 VAL 92 HG12 VAL 92 -9.584 -2.523 -5.958 778 HG13 VAL 92 HG13 VAL 92 -10.853 -3.552 -6.611 779 HG21 VAL 92 HG21 VAL 92 -8.310 -6.170 -6.379 780 HG22 VAL 92 HG22 VAL 92 -9.414 -5.285 -7.405 781 HG23 VAL 92 HG23 VAL 92 -7.908 -4.533 -6.888 782 H THR 93 HN THR 93 -8.476 -1.985 -3.105 783 HA THR 93 HA THR 93 -10.869 -2.354 -1.466 784 HB THR 93 HB THR 93 -9.150 -3.017 0.142 785 HG1 THR 93 HG1 THR 93 -10.795 -1.766 0.955 786 HG21 THR 93 HG21 THR 93 -7.126 -1.823 -0.840 787 HG22 THR 93 HG22 THR 93 -7.316 -1.610 0.892 788 HG23 THR 93 HG23 THR 93 -7.774 -0.314 -0.198 789 H THR 94 HN THR 94 -11.971 -0.426 -1.074 790 HA THR 94 HA THR 94 -10.883 2.017 -2.422 791 HB THR 94 HB THR 94 -13.791 1.072 -2.426 792 HG1 THR 94 HG1 THR 94 -12.457 -0.276 -3.648 793 HG21 THR 94 HG21 THR 94 -13.550 3.554 -2.744 794 HG22 THR 94 HG22 THR 94 -14.048 2.780 -4.238 795 HG23 THR 94 HG23 THR 94 -12.374 3.280 -4.024 796 H PHE 95 HN PHE 95 -10.685 3.678 -1.029 797 HA PHE 95 HA PHE 95 -12.573 4.015 1.235 798 HB2 PHE 95 HB2 PHE 95 -10.634 4.278 2.774 799 HB3 PHE 95 HB3 PHE 95 -10.811 2.658 2.189 800 HD1 PHE 95 HD1 PHE 95 -8.722 5.717 2.132 801 HD2 PHE 95 HD2 PHE 95 -9.092 1.683 0.645 802 HE1 PHE 95 HE1 PHE 95 -6.388 5.772 1.345 803 HE2 PHE 95 HE2 PHE 95 -6.745 1.768 -0.083 804 HZ PHE 95 HZ PHE 95 -5.404 3.806 0.239 805 H LYS 96 HN LYS 96 -13.213 6.113 1.383 806 HA LYS 96 HA LYS 96 -13.379 8.316 1.046 807 HB2 LYS 96 HB2 LYS 96 -10.324 8.297 1.169 808 HB3 LYS 96 HB3 LYS 96 -11.309 9.711 1.363 809 HG2 LYS 96 HG2 LYS 96 -12.210 8.958 3.467 810 HG3 LYS 96 HG3 LYS 96 -11.628 7.341 3.233 811 HD2 LYS 96 HD2 LYS 96 -10.162 8.327 4.826 812 HD3 LYS 96 HD3 LYS 96 -9.286 8.099 3.347 813 HE2 LYS 96 HE2 LYS 96 -8.653 10.239 4.281 814 HE3 LYS 96 HE3 LYS 96 -9.537 10.555 2.802 815 HZ1 LYS 96 HZ1 LYS 96 -10.660 10.635 5.518 816 HZ2 LYS 96 HZ2 LYS 96 -11.470 11.030 4.133 817 HZ3 LYS 96 HZ3 LYS 96 -10.192 11.944 4.655 818 H ASN 97 HN ASN 97 -13.309 6.666 -1.353 819 HA ASN 97 HA ASN 97 -13.363 6.742 -3.574 820 HB2 ASN 97 HB2 ASN 97 -14.097 9.252 -3.136 821 HB3 ASN 97 HB3 ASN 97 -12.492 9.678 -3.667 822 HD21 ASN 97 HD21 ASN 97 -12.903 10.592 -5.680 823 HD22 ASN 97 HD22 ASN 97 -13.834 9.836 -6.947 824 H ILE 98 HN ILE 98 -10.635 6.697 -1.875 825 HA ILE 98 HA ILE 98 -8.723 6.811 -4.112 826 HB ILE 98 HB ILE 98 -8.325 5.900 -1.222 827 HG12 ILE 98 HG12 ILE 98 -7.342 8.531 -2.324 828 HG13 ILE 98 HG13 ILE 98 -8.943 8.439 -1.648 829 HG21 ILE 98 HG21 ILE 98 -5.925 6.136 -1.625 830 HG22 ILE 98 HG22 ILE 98 -6.603 4.933 -2.689 831 HG23 ILE 98 HG23 ILE 98 -6.241 6.544 -3.310 832 HD11 ILE 98 HD11 ILE 98 -7.967 7.573 0.520 833 HD12 ILE 98 HD12 ILE 98 -6.361 7.906 -0.133 834 HD13 ILE 98 HD13 ILE 98 -7.511 9.214 0.102 835 H LYS 99 HN LYS 99 -9.142 5.193 -5.524 836 HA LYS 99 HA LYS 99 -9.988 2.507 -4.780 837 HB2 LYS 99 HB2 LYS 99 -10.848 3.799 -6.756 838 HB3 LYS 99 HB3 LYS 99 -9.247 3.858 -7.408 839 HG2 LYS 99 HG2 LYS 99 -10.295 2.227 -8.663 840 HG3 LYS 99 HG3 LYS 99 -9.274 1.306 -7.604 841 HD2 LYS 99 HD2 LYS 99 -11.170 0.751 -6.159 842 HD3 LYS 99 HD3 LYS 99 -12.234 1.825 -7.039 843 HE2 LYS 99 HE2 LYS 99 -11.810 0.371 -9.124 844 HE3 LYS 99 HE3 LYS 99 -10.936 -0.748 -8.090 845 HZ1 LYS 99 HZ1 LYS 99 -12.943 -0.989 -6.796 846 HZ2 LYS 99 HZ2 LYS 99 -13.208 -1.378 -8.377 847 HZ3 LYS 99 HZ3 LYS 99 -13.743 0.064 -7.779 848 H SER 100 HN SER 100 -8.163 1.857 -3.446 849 HA SER 100 HA SER 100 -5.508 1.677 -4.587 850 HB2 SER 100 HB2 SER 100 -5.815 2.075 -2.190 851 HB3 SER 100 HB3 SER 100 -6.681 0.559 -2.016 852 HG SER 100 HG SER 100 -3.972 0.906 -2.752 853 H VAL 101 HN VAL 101 -4.538 0.003 -5.517 854 HA VAL 101 HA VAL 101 -5.706 -2.710 -5.453 855 HB VAL 101 HB VAL 101 -4.569 -1.310 -7.931 856 HG11 VAL 101 HG11 VAL 101 -5.129 -3.429 -9.160 857 HG12 VAL 101 HG12 VAL 101 -3.846 -3.660 -7.996 858 HG13 VAL 101 HG13 VAL 101 -5.477 -4.210 -7.623 859 HG21 VAL 101 HG21 VAL 101 -6.818 -1.721 -8.958 860 HG22 VAL 101 HG22 VAL 101 -7.416 -2.255 -7.389 861 HG23 VAL 101 HG23 VAL 101 -6.883 -0.593 -7.620 862 H THR 102 HN THR 102 -4.134 -4.196 -4.982 863 HA THR 102 HA THR 102 -1.248 -3.399 -5.076 864 HB THR 102 HB THR 102 -2.536 -5.252 -3.012 865 HG1 THR 102 HG1 THR 102 -3.234 -3.141 -2.695 866 HG21 THR 102 HG21 THR 102 -0.407 -4.863 -1.724 867 HG22 THR 102 HG22 THR 102 0.265 -4.052 -3.132 868 HG23 THR 102 HG23 THR 102 -0.149 -5.760 -3.202 869 H GLU 103 HN GLU 103 0.197 -5.154 -5.592 870 HA GLU 103 HA GLU 103 -0.942 -7.758 -6.270 871 HB2 GLU 103 HB2 GLU 103 -1.363 -6.498 -8.308 872 HB3 GLU 103 HB3 GLU 103 0.272 -5.913 -8.358 873 HG2 GLU 103 HG2 GLU 103 1.098 -8.274 -8.760 874 HG3 GLU 103 HG3 GLU 103 -0.554 -8.851 -8.682 875 H LEU 104 HN LEU 104 0.324 -9.227 -5.492 876 HA LEU 104 HA LEU 104 3.191 -8.813 -4.962 877 HB2 LEU 104 HB2 LEU 104 1.911 -9.920 -3.240 878 HB3 LEU 104 HB3 LEU 104 1.121 -10.949 -4.388 879 HG LEU 104 HG LEU 104 3.343 -12.119 -4.825 880 HD11 LEU 104 HD11 LEU 104 4.234 -10.432 -2.451 881 HD12 LEU 104 HD12 LEU 104 4.992 -10.525 -4.046 882 HD13 LEU 104 HD13 LEU 104 5.053 -11.898 -2.955 883 HD21 LEU 104 HD21 LEU 104 3.211 -13.126 -2.320 884 HD22 LEU 104 HD22 LEU 104 2.051 -13.465 -3.593 885 HD23 LEU 104 HD23 LEU 104 1.675 -12.268 -2.366 886 H ASN 105 HN ASN 105 4.786 -9.612 -6.257 887 HA ASN 105 HA ASN 105 4.202 -11.492 -8.474 888 HB2 ASN 105 HB2 ASN 105 4.095 -8.699 -8.881 889 HB3 ASN 105 HB3 ASN 105 5.738 -9.019 -9.296 890 HD21 ASN 105 HD21 ASN 105 2.304 -9.801 -9.944 891 HD22 ASN 105 HD22 ASN 105 2.540 -10.376 -11.570 892 H GLY 106 HN GLY 106 5.288 -12.922 -7.137 893 HA2 GLY 106 HA2 GLY 106 7.139 -14.171 -6.623 894 HA3 GLY 106 HA1 GLY 106 8.158 -13.062 -7.527 895 H ASP 107 HN ASP 107 9.322 -11.557 -6.416 896 HA ASP 107 HA ASP 107 9.082 -11.306 -3.465 897 HB2 ASP 107 HB2 ASP 107 11.401 -10.556 -5.283 898 HB3 ASP 107 HB3 ASP 107 11.429 -10.578 -3.536 899 H ILE 108 HN ILE 108 8.009 -9.650 -6.174 900 HA ILE 108 HA ILE 108 8.777 -6.932 -5.221 901 HB ILE 108 HB ILE 108 7.567 -7.749 -7.897 902 HG12 ILE 108 HG12 ILE 108 9.576 -9.072 -7.807 903 HG13 ILE 108 HG13 ILE 108 9.775 -7.774 -8.928 904 HG21 ILE 108 HG21 ILE 108 7.443 -5.325 -7.446 905 HG22 ILE 108 HG22 ILE 108 9.173 -5.271 -7.133 906 HG23 ILE 108 HG23 ILE 108 8.573 -5.653 -8.741 907 HD11 ILE 108 HD11 ILE 108 11.812 -8.178 -7.508 908 HD12 ILE 108 HD12 ILE 108 11.210 -6.533 -7.342 909 HD13 ILE 108 HD13 ILE 108 10.904 -7.722 -6.075 910 H ILE 109 HN ILE 109 7.226 -5.426 -4.700 911 HA ILE 109 HA ILE 109 4.347 -6.255 -4.779 912 HB ILE 109 HB ILE 109 5.803 -4.469 -2.788 913 HG12 ILE 109 HG12 ILE 109 6.334 -6.729 -2.297 914 HG13 ILE 109 HG13 ILE 109 5.255 -6.117 -1.085 915 HG21 ILE 109 HG21 ILE 109 2.823 -5.142 -2.905 916 HG22 ILE 109 HG22 ILE 109 3.629 -4.361 -1.546 917 HG23 ILE 109 HG23 ILE 109 3.554 -3.557 -3.091 918 HD11 ILE 109 HD11 ILE 109 4.771 -8.232 -3.180 919 HD12 ILE 109 HD12 ILE 109 4.355 -8.249 -1.468 920 HD13 ILE 109 HD13 ILE 109 3.369 -7.340 -2.603 921 H THR 110 HN THR 110 3.448 -5.262 -6.438 922 HA THR 110 HA THR 110 4.042 -2.441 -7.126 923 HB THR 110 HB THR 110 2.161 -4.544 -8.322 924 HG1 THR 110 HG1 THR 110 3.658 -4.353 -10.058 925 HG21 THR 110 HG21 THR 110 1.912 -2.966 -10.271 926 HG22 THR 110 HG22 THR 110 2.736 -1.710 -9.350 927 HG23 THR 110 HG23 THR 110 1.166 -2.316 -8.828 928 H ASN 111 HN ASN 111 2.598 -0.812 -6.675 929 HA ASN 111 HA ASN 111 -0.048 -1.435 -5.572 930 HB2 ASN 111 HB2 ASN 111 2.161 0.174 -4.251 931 HB3 ASN 111 HB3 ASN 111 0.530 0.781 -4.082 932 HD21 ASN 111 HD21 ASN 111 -1.083 -0.480 -2.971 933 HD22 ASN 111 HD22 ASN 111 -0.592 -1.716 -1.847 934 H THR 112 HN THR 112 -1.599 0.077 -6.179 935 HA THR 112 HA THR 112 -0.884 2.541 -7.613 936 HB THR 112 HB THR 112 -2.741 0.346 -8.703 937 HG1 THR 112 HG1 THR 112 -0.537 0.152 -9.181 938 HG21 THR 112 HG21 THR 112 -2.360 3.167 -9.853 939 HG22 THR 112 HG22 THR 112 -3.865 2.530 -9.190 940 HG23 THR 112 HG23 THR 112 -3.194 1.843 -10.653 941 H MET 113 HN MET 113 -2.419 4.168 -7.205 942 HA MET 113 HA MET 113 -4.948 3.451 -5.853 943 HB2 MET 113 HB2 MET 113 -3.099 5.628 -4.794 944 HB3 MET 113 HB3 MET 113 -4.681 5.250 -4.222 945 HG2 MET 113 HG2 MET 113 -3.870 2.975 -3.505 946 HG3 MET 113 HG3 MET 113 -2.247 3.426 -3.978 947 HE1 MET 113 HE1 MET 113 -1.719 2.541 -1.457 948 HE2 MET 113 HE2 MET 113 -2.307 3.359 -0.002 949 HE3 MET 113 HE3 MET 113 -3.426 2.423 -0.996 950 H THR 114 HN THR 114 -6.559 4.350 -6.998 951 HA THR 114 HA THR 114 -5.950 6.755 -8.668 952 HB THR 114 HB THR 114 -8.030 4.579 -9.107 953 HG1 THR 114 HG1 THR 114 -6.639 4.179 -10.912 954 HG21 THR 114 HG21 THR 114 -7.251 6.971 -10.858 955 HG22 THR 114 HG22 THR 114 -8.824 6.718 -10.110 956 HG23 THR 114 HG23 THR 114 -8.276 5.634 -11.375 957 H LEU 115 HN LEU 115 -6.670 8.573 -7.713 958 HA LEU 115 HA LEU 115 -9.342 8.586 -6.356 959 HB2 LEU 115 HB2 LEU 115 -7.191 8.875 -4.914 960 HB3 LEU 115 HB3 LEU 115 -6.978 10.399 -5.702 961 HG LEU 115 HG LEU 115 -9.173 9.485 -3.833 962 HD11 LEU 115 HD11 LEU 115 -7.894 12.133 -3.371 963 HD12 LEU 115 HD12 LEU 115 -6.776 10.785 -3.307 964 HD13 LEU 115 HD13 LEU 115 -8.184 10.810 -2.256 965 HD21 LEU 115 HD21 LEU 115 -9.409 11.946 -5.590 966 HD22 LEU 115 HD22 LEU 115 -10.223 11.818 -4.043 967 HD23 LEU 115 HD23 LEU 115 -10.591 10.660 -5.303 968 H GLY 116 HN GLY 116 -10.667 9.407 -7.887 969 HA2 GLY 116 HA2 GLY 116 -11.684 11.015 -9.151 970 HA3 GLY 116 HA1 GLY 116 -10.436 12.163 -8.702 971 H ASP 117 HN ASP 117 -8.597 12.406 -10.040 972 HA ASP 117 HA ASP 117 -8.421 10.830 -12.553 973 HB2 ASP 117 HB2 ASP 117 -9.371 13.288 -12.769 974 HB3 ASP 117 HB3 ASP 117 -7.754 13.796 -12.334 975 H ILE 118 HN ILE 118 -6.911 11.563 -9.615 976 HA ILE 118 HA ILE 118 -4.163 11.695 -10.645 977 HB ILE 118 HB ILE 118 -5.140 11.341 -7.768 978 HG12 ILE 118 HG12 ILE 118 -6.058 13.412 -8.467 979 HG13 ILE 118 HG13 ILE 118 -4.721 13.724 -7.417 980 HG21 ILE 118 HG21 ILE 118 -2.852 12.248 -7.208 981 HG22 ILE 118 HG22 ILE 118 -2.810 10.650 -7.923 982 HG23 ILE 118 HG23 ILE 118 -2.389 12.061 -8.886 983 HD11 ILE 118 HD11 ILE 118 -4.937 14.221 -10.402 984 HD12 ILE 118 HD12 ILE 118 -4.403 15.317 -9.134 985 HD13 ILE 118 HD13 ILE 118 -3.336 14.037 -9.695 986 H VAL 119 HN VAL 119 -3.286 9.853 -11.417 987 HA VAL 119 HA VAL 119 -3.989 7.206 -10.235 988 HB VAL 119 HB VAL 119 -2.505 7.903 -12.813 989 HG11 VAL 119 HG11 VAL 119 -1.815 5.651 -12.010 990 HG12 VAL 119 HG12 VAL 119 -3.500 5.200 -11.778 991 HG13 VAL 119 HG13 VAL 119 -2.869 5.488 -13.395 992 HG21 VAL 119 HG21 VAL 119 -4.864 8.571 -13.036 993 HG22 VAL 119 HG22 VAL 119 -4.553 7.138 -13.994 994 HG23 VAL 119 HG23 VAL 119 -5.392 6.995 -12.453 995 H PHE 120 HN PHE 120 -2.799 7.539 -8.301 996 HA PHE 120 HA PHE 120 0.065 7.981 -8.277 997 HB2 PHE 120 HB2 PHE 120 -1.395 8.571 -6.402 998 HB3 PHE 120 HB3 PHE 120 -1.899 6.933 -6.194 999 HD1 PHE 120 HD1 PHE 120 -1.066 6.000 -4.198 1000 HD2 PHE 120 HD2 PHE 120 1.474 8.631 -6.483 1001 HE1 PHE 120 HE1 PHE 120 0.720 5.728 -2.551 1002 HE2 PHE 120 HE2 PHE 120 3.282 8.247 -4.856 1003 HZ PHE 120 HZ PHE 120 2.893 6.857 -2.873 1004 H LYS 121 HN LYS 121 1.697 6.437 -8.015 1005 HA LYS 121 HA LYS 121 1.019 3.591 -8.070 1006 HB2 LYS 121 HB2 LYS 121 0.826 4.449 -10.397 1007 HB3 LYS 121 HB3 LYS 121 2.472 4.948 -10.400 1008 HG2 LYS 121 HG2 LYS 121 1.702 2.043 -9.832 1009 HG3 LYS 121 HG3 LYS 121 1.593 2.667 -11.442 1010 HD2 LYS 121 HD2 LYS 121 4.193 3.457 -10.629 1011 HD3 LYS 121 HD3 LYS 121 3.966 1.887 -9.900 1012 HE2 LYS 121 HE2 LYS 121 3.523 0.818 -12.042 1013 HE3 LYS 121 HE3 LYS 121 3.421 2.368 -12.864 1014 HZ1 LYS 121 HZ1 LYS 121 5.849 1.343 -11.598 1015 HZ2 LYS 121 HZ2 LYS 121 5.674 2.781 -12.401 1016 HZ3 LYS 121 HZ3 LYS 121 5.519 1.355 -13.218 1017 H ARG 122 HN ARG 122 2.648 2.259 -7.457 1018 HA ARG 122 HA ARG 122 4.960 3.451 -6.016 1019 HB2 ARG 122 HB2 ARG 122 2.401 2.183 -5.055 1020 HB3 ARG 122 HB3 ARG 122 3.833 1.719 -4.184 1021 HG2 ARG 122 HG2 ARG 122 3.073 4.668 -4.546 1022 HG3 ARG 122 HG3 ARG 122 2.385 3.618 -3.351 1023 HD2 ARG 122 HD2 ARG 122 5.352 3.766 -3.486 1024 HD3 ARG 122 HD3 ARG 122 4.509 4.993 -2.580 1025 HE ARG 122 HE ARG 122 5.033 2.163 -2.047 1026 HH11 ARG 122 HH11 ARG 122 2.717 4.717 -1.169 1027 HH12 ARG 122 HH12 ARG 122 2.166 3.891 0.264 1028 HH21 ARG 122 HH21 ARG 122 4.318 1.116 -0.159 1029 HH22 ARG 122 HH22 ARG 122 3.119 1.855 0.864 1030 H ILE 123 HN ILE 123 6.671 2.068 -5.859 1031 HA ILE 123 HA ILE 123 6.385 -0.768 -6.735 1032 HB ILE 123 HB ILE 123 8.649 1.139 -7.533 1033 HG12 ILE 123 HG12 ILE 123 7.723 0.538 -9.938 1034 HG13 ILE 123 HG13 ILE 123 6.220 0.240 -9.126 1035 HG21 ILE 123 HG21 ILE 123 9.426 -0.715 -8.973 1036 HG22 ILE 123 HG22 ILE 123 9.407 -1.221 -7.303 1037 HG23 ILE 123 HG23 ILE 123 8.123 -1.743 -8.384 1038 HD11 ILE 123 HD11 ILE 123 7.049 2.692 -10.143 1039 HD12 ILE 123 HD12 ILE 123 5.839 2.551 -8.879 1040 HD13 ILE 123 HD13 ILE 123 7.497 2.889 -8.464 1041 H SER 124 HN SER 124 7.161 -2.074 -5.214 1042 HA SER 124 HA SER 124 9.429 -1.262 -3.485 1043 HB2 SER 124 HB2 SER 124 6.690 -2.349 -2.641 1044 HB3 SER 124 HB3 SER 124 8.113 -2.596 -1.648 1045 HG SER 124 HG SER 124 7.016 -0.746 -1.041 1046 H LYS 125 HN LYS 125 10.652 -3.069 -2.661 1047 HA LYS 125 HA LYS 125 10.235 -5.699 -3.930 1048 HB2 LYS 125 HB2 LYS 125 11.502 -4.488 -5.589 1049 HB3 LYS 125 HB3 LYS 125 12.610 -3.861 -4.412 1050 HG2 LYS 125 HG2 LYS 125 12.526 -6.849 -4.665 1051 HG3 LYS 125 HG3 LYS 125 13.150 -5.965 -6.024 1052 HD2 LYS 125 HD2 LYS 125 14.841 -4.850 -4.650 1053 HD3 LYS 125 HD3 LYS 125 14.240 -5.585 -3.200 1054 HE2 LYS 125 HE2 LYS 125 15.457 -7.093 -5.585 1055 HE3 LYS 125 HE3 LYS 125 16.279 -6.734 -4.078 1056 HZ1 LYS 125 HZ1 LYS 125 14.655 -8.045 -2.925 1057 HZ2 LYS 125 HZ2 LYS 125 15.446 -8.938 -4.069 1058 HZ3 LYS 125 HZ3 LYS 125 13.902 -8.426 -4.344 1059 H ARG 126 HN ARG 126 11.058 -7.385 -2.818 1060 HA ARG 126 HA ARG 126 11.145 -7.297 -0.112 1061 HB2 ARG 126 HB2 ARG 126 10.657 -9.301 -1.382 1062 HB3 ARG 126 HB3 ARG 126 12.283 -9.326 -2.037 1063 HG2 ARG 126 HG2 ARG 126 13.215 -9.897 0.239 1064 HG3 ARG 126 HG3 ARG 126 11.603 -9.734 0.872 1065 HD2 ARG 126 HD2 ARG 126 12.059 -11.711 -1.344 1066 HD3 ARG 126 HD3 ARG 126 12.581 -12.152 0.265 1067 HE ARG 126 HE ARG 126 9.873 -11.120 0.229 1068 HH11 ARG 126 HH11 ARG 126 11.670 -13.958 -0.949 1069 HH12 ARG 126 HH12 ARG 126 10.298 -15.024 -0.852 1070 HH21 ARG 126 HH21 ARG 126 8.099 -12.579 0.437 1071 HH22 ARG 126 HH22 ARG 126 8.265 -14.225 -0.100 1072 H ILE 127 HN ILE 127 12.535 -7.094 1.499 1073 HA ILE 127 HA ILE 127 15.493 -6.952 1.043 1074 HB ILE 127 HB ILE 127 15.497 -5.356 2.995 1075 HG12 ILE 127 HG12 ILE 127 12.550 -4.836 2.426 1076 HG13 ILE 127 HG13 ILE 127 13.063 -5.874 3.717 1077 HG21 ILE 127 HG21 ILE 127 14.111 -4.220 0.537 1078 HG22 ILE 127 HG22 ILE 127 15.196 -3.381 1.651 1079 HG23 ILE 127 HG23 ILE 127 15.816 -4.642 0.615 1080 HD11 ILE 127 HD11 ILE 127 13.916 -2.944 3.537 1081 HD12 ILE 127 HD12 ILE 127 12.579 -3.557 4.496 1082 HD13 ILE 127 HD13 ILE 127 14.226 -4.057 4.865 Start of MODEL 2 1 H1 HIS -7 HN HIS -7 12.330 -15.145 11.353 2 HA HIS -7 HA HIS -7 13.904 -13.604 11.575 3 HB2 HIS -7 HB2 HIS -7 12.961 -12.236 9.424 4 HB3 HIS -7 HB3 HIS -7 11.913 -11.406 10.530 5 HD1 HIS -7 HD1 HIS -7 15.644 -12.006 9.847 6 HD2 HIS -7 HD2 HIS -7 13.192 -9.078 11.644 7 HE1 HIS -7 HE1 HIS -7 17.075 -9.994 10.395 8 H HIS -6 HN HIS -6 12.234 -10.945 12.622 9 HA HIS -6 HA HIS -6 11.898 -12.031 15.314 10 HB2 HIS -6 HB2 HIS -6 12.754 -9.753 15.044 11 HB3 HIS -6 HB3 HIS -6 11.358 -9.278 14.110 12 HD1 HIS -6 HD1 HIS -6 12.005 -10.738 17.629 13 HD2 HIS -6 HD2 HIS -6 9.403 -8.031 15.705 14 HE1 HIS -6 HE1 HIS -6 10.461 -9.745 19.367 15 H HIS -5 HN HIS -5 10.337 -13.590 15.215 16 HA HIS -5 HA HIS -5 8.372 -14.505 15.422 17 HB2 HIS -5 HB2 HIS -5 8.021 -12.182 16.654 18 HB3 HIS -5 HB3 HIS -5 6.947 -11.807 15.342 19 HD1 HIS -5 HD1 HIS -5 4.553 -12.708 15.578 20 HD2 HIS -5 HD2 HIS -5 7.213 -14.504 18.323 21 HE1 HIS -5 HE1 HIS -5 3.207 -14.096 17.205 22 H HIS -4 HN HIS -4 6.036 -14.698 14.463 23 HA HIS -4 HA HIS -4 4.703 -15.210 12.802 24 HB2 HIS -4 HB2 HIS -4 5.857 -12.851 11.239 25 HB3 HIS -4 HB3 HIS -4 4.285 -13.572 11.030 26 HD1 HIS -4 HD1 HIS -4 6.011 -10.926 12.895 27 HD2 HIS -4 HD2 HIS -4 2.463 -13.149 13.421 28 HE1 HIS -4 HE1 HIS -4 4.577 -9.743 14.612 29 H HIS -3 HN HIS -3 4.743 -15.297 10.012 30 HA HIS -3 HA HIS -3 7.003 -17.068 9.304 31 HB2 HIS -3 HB2 HIS -3 5.276 -18.856 8.690 32 HB3 HIS -3 HB3 HIS -3 5.604 -18.650 10.381 33 HD1 HIS -3 HD1 HIS -3 3.629 -18.320 11.900 34 HD2 HIS -3 HD2 HIS -3 2.623 -17.531 7.879 35 HE1 HIS -3 HE1 HIS -3 1.133 -17.923 11.763 36 H HIS -2 HN HIS -2 7.077 -17.692 7.127 37 HA HIS -2 HA HIS -2 5.794 -15.855 5.193 38 HB2 HIS -2 HB2 HIS -2 8.145 -15.138 4.507 39 HB3 HIS -2 HB3 HIS -2 7.601 -14.538 6.040 40 HD1 HIS -2 HD1 HIS -2 9.884 -17.291 4.677 41 HD2 HIS -2 HD2 HIS -2 9.252 -15.149 8.254 42 HE1 HIS -2 HE1 HIS -2 11.731 -17.895 6.308 43 H VAL -1 HN VAL -1 5.090 -18.414 5.219 44 HA VAL -1 HA VAL -1 6.664 -20.113 3.516 45 HB VAL -1 HB VAL -1 4.609 -21.473 3.396 46 HG11 VAL -1 HG11 VAL -1 5.161 -20.571 6.247 47 HG12 VAL -1 HG12 VAL -1 4.424 -22.090 5.751 48 HG13 VAL -1 HG13 VAL -1 6.097 -21.750 5.331 49 HG21 VAL -1 HG21 VAL -1 3.156 -19.253 4.905 50 HG22 VAL -1 HG22 VAL -1 2.784 -19.834 3.284 51 HG23 VAL -1 HG23 VAL -1 2.545 -20.882 4.663 52 H ALA 0 HN ALA 0 6.181 -20.796 1.385 53 HA ALA 0 HA ALA 0 5.726 -20.667 -0.766 54 HB1 ALA 0 HB1 ALA 0 3.376 -20.291 -1.381 55 HB2 ALA 0 HB2 ALA 0 3.403 -21.039 0.201 56 HB3 ALA 0 HB3 ALA 0 3.093 -19.315 0.056 57 H MET 1 HN MET 1 4.297 -18.868 -2.418 58 HA MET 1 HA MET 1 5.844 -16.323 -2.268 59 HB2 MET 1 HB2 MET 1 5.270 -15.980 -4.579 60 HB3 MET 1 HB3 MET 1 6.142 -17.455 -4.374 61 HG2 MET 1 HG2 MET 1 4.302 -18.831 -4.875 62 HG3 MET 1 HG3 MET 1 3.109 -17.618 -4.510 63 HE1 MET 1 HE1 MET 1 3.836 -14.988 -6.059 64 HE2 MET 1 HE2 MET 1 2.983 -15.313 -7.568 65 HE3 MET 1 HE3 MET 1 2.256 -15.783 -6.022 66 H SER 2 HN SER 2 3.986 -16.725 -0.291 67 HA SER 2 HA SER 2 1.580 -15.166 -0.809 68 HB2 SER 2 HB2 SER 2 3.105 -16.159 1.660 69 HB3 SER 2 HB3 SER 2 1.815 -15.008 1.834 70 HG SER 2 HG SER 2 0.374 -16.385 0.925 71 H PHE 3 HN PHE 3 1.267 -13.092 0.362 72 HA PHE 3 HA PHE 3 2.972 -11.015 -0.462 73 HB2 PHE 3 HB2 PHE 3 0.741 -11.270 1.582 74 HB3 PHE 3 HB3 PHE 3 1.571 -9.766 1.365 75 HD1 PHE 3 HD1 PHE 3 -0.413 -12.323 -0.556 76 HD2 PHE 3 HD2 PHE 3 1.016 -8.250 -0.360 77 HE1 PHE 3 HE1 PHE 3 -1.928 -11.681 -2.385 78 HE2 PHE 3 HE2 PHE 3 -0.508 -7.653 -2.199 79 HZ PHE 3 HZ PHE 3 -2.009 -9.340 -3.148 80 H SER 4 HN SER 4 3.295 -12.985 2.406 81 HA SER 4 HA SER 4 4.187 -11.144 4.197 82 HB2 SER 4 HB2 SER 4 3.381 -13.416 4.723 83 HB3 SER 4 HB3 SER 4 4.843 -14.113 4.053 84 HG SER 4 HG SER 4 6.016 -13.084 5.689 85 H GLY 5 HN GLY 5 6.047 -10.196 4.841 86 HA2 GLY 5 HA2 GLY 5 8.610 -10.757 4.924 87 HA3 GLY 5 HA1 GLY 5 8.505 -10.480 3.186 88 H LYS 6 HN LYS 6 10.153 -8.818 4.284 89 HA LYS 6 HA LYS 6 8.815 -6.183 4.693 90 HB2 LYS 6 HB2 LYS 6 11.646 -7.190 5.234 91 HB3 LYS 6 HB3 LYS 6 11.218 -5.497 5.239 92 HG2 LYS 6 HG2 LYS 6 9.563 -5.818 7.001 93 HG3 LYS 6 HG3 LYS 6 9.911 -7.522 7.095 94 HD2 LYS 6 HD2 LYS 6 11.951 -5.303 7.612 95 HD3 LYS 6 HD3 LYS 6 11.005 -6.063 8.861 96 HE2 LYS 6 HE2 LYS 6 12.045 -8.287 8.316 97 HE3 LYS 6 HE3 LYS 6 13.009 -7.532 7.058 98 HZ1 LYS 6 HZ1 LYS 6 14.016 -6.152 8.709 99 HZ2 LYS 6 HZ2 LYS 6 14.219 -7.743 9.083 100 HZ3 LYS 6 HZ3 LYS 6 13.107 -6.835 9.900 101 H TYR 7 HN TYR 7 9.132 -4.567 3.194 102 HA TYR 7 HA TYR 7 10.738 -5.111 0.755 103 HB2 TYR 7 HB2 TYR 7 7.801 -4.225 0.763 104 HB3 TYR 7 HB3 TYR 7 8.803 -4.485 -0.639 105 HD1 TYR 7 HD1 TYR 7 6.841 -6.100 2.039 106 HD2 TYR 7 HD2 TYR 7 9.273 -6.749 -1.465 107 HE1 TYR 7 HE1 TYR 7 6.107 -8.455 1.963 108 HE2 TYR 7 HE2 TYR 7 8.542 -9.115 -1.532 109 HH TYR 7 HH TYR 7 6.235 -10.477 0.826 110 H GLN 8 HN GLN 8 12.176 -3.435 0.714 111 HA GLN 8 HA GLN 8 11.490 -0.788 1.714 112 HB2 GLN 8 HB2 GLN 8 13.765 -1.708 1.911 113 HB3 GLN 8 HB3 GLN 8 13.920 -1.756 0.171 114 HG2 GLN 8 HG2 GLN 8 13.568 0.815 0.188 115 HG3 GLN 8 HG3 GLN 8 13.608 0.744 1.929 116 HE21 GLN 8 HE21 GLN 8 15.382 1.929 -0.316 117 HE22 GLN 8 HE22 GLN 8 16.993 1.427 0.136 118 H LEU 9 HN LEU 9 11.006 1.006 0.563 119 HA LEU 9 HA LEU 9 9.709 1.006 -1.908 120 HB2 LEU 9 HB2 LEU 9 9.410 2.690 -0.145 121 HB3 LEU 9 HB3 LEU 9 11.083 3.168 -0.259 122 HG LEU 9 HG LEU 9 10.724 4.121 -2.506 123 HD11 LEU 9 HD11 LEU 9 9.023 3.329 -3.749 124 HD12 LEU 9 HD12 LEU 9 7.951 4.357 -2.829 125 HD13 LEU 9 HD13 LEU 9 8.153 2.679 -2.373 126 HD21 LEU 9 HD21 LEU 9 10.534 5.888 -1.108 127 HD22 LEU 9 HD22 LEU 9 9.357 5.111 -0.060 128 HD23 LEU 9 HD23 LEU 9 8.841 5.874 -1.546 129 H GLN 10 HN GLN 10 10.312 1.128 -3.966 130 HA GLN 10 HA GLN 10 13.175 1.574 -4.687 131 HB2 GLN 10 HB2 GLN 10 10.882 0.290 -6.268 132 HB3 GLN 10 HB3 GLN 10 12.501 0.516 -6.849 133 HG2 GLN 10 HG2 GLN 10 11.664 -1.302 -4.541 134 HG3 GLN 10 HG3 GLN 10 12.119 -1.796 -6.149 135 HE21 GLN 10 HE21 GLN 10 13.269 -1.149 -2.978 136 HE22 GLN 10 HE22 GLN 10 14.976 -1.256 -3.322 137 H SER 11 HN SER 11 9.822 2.283 -5.843 138 HA SER 11 HA SER 11 10.565 4.997 -6.690 139 HB2 SER 11 HB2 SER 11 10.046 2.631 -8.580 140 HB3 SER 11 HB3 SER 11 9.620 4.255 -9.072 141 HG SER 11 HG SER 11 12.190 3.485 -8.203 142 H GLN 12 HN GLN 12 8.745 6.200 -7.543 143 HA GLN 12 HA GLN 12 6.129 5.090 -7.417 144 HB2 GLN 12 HB2 GLN 12 5.167 6.496 -5.717 145 HB3 GLN 12 HB3 GLN 12 6.381 5.516 -4.992 146 HG2 GLN 12 HG2 GLN 12 7.042 8.405 -5.806 147 HG3 GLN 12 HG3 GLN 12 6.048 8.066 -4.420 148 HE21 GLN 12 HE21 GLN 12 7.602 9.176 -3.116 149 HE22 GLN 12 HE22 GLN 12 9.052 8.355 -2.610 150 H GLU 13 HN GLU 13 4.574 6.342 -8.423 151 HA GLU 13 HA GLU 13 5.543 8.684 -10.003 152 HB2 GLU 13 HB2 GLU 13 3.542 6.525 -10.844 153 HB3 GLU 13 HB3 GLU 13 4.009 7.903 -11.768 154 HG2 GLU 13 HG2 GLU 13 5.336 6.391 -12.806 155 HG3 GLU 13 HG3 GLU 13 6.476 6.900 -11.596 156 H ASN 14 HN ASN 14 4.168 10.399 -10.191 157 HA ASN 14 HA ASN 14 2.740 11.932 -9.595 158 HB2 ASN 14 HB2 ASN 14 0.713 9.624 -9.562 159 HB3 ASN 14 HB3 ASN 14 0.255 11.301 -9.484 160 HD21 ASN 14 HD21 ASN 14 0.095 8.969 -11.615 161 HD22 ASN 14 HD22 ASN 14 0.436 9.848 -13.087 162 H PHE 15 HN PHE 15 4.333 11.000 -7.499 163 HA PHE 15 HA PHE 15 2.954 10.549 -5.066 164 HB2 PHE 15 HB2 PHE 15 5.302 9.989 -5.365 165 HB3 PHE 15 HB3 PHE 15 5.736 11.640 -5.673 166 HD1 PHE 15 HD1 PHE 15 5.786 13.327 -3.813 167 HD2 PHE 15 HD2 PHE 15 4.769 9.205 -3.029 168 HE1 PHE 15 HE1 PHE 15 5.947 13.708 -1.400 169 HE2 PHE 15 HE2 PHE 15 5.046 9.614 -0.626 170 HZ PHE 15 HZ PHE 15 5.634 11.861 0.190 171 H GLU 16 HN GLU 16 4.317 13.564 -6.435 172 HA GLU 16 HA GLU 16 3.595 15.255 -4.341 173 HB2 GLU 16 HB2 GLU 16 3.885 16.172 -7.233 174 HB3 GLU 16 HB3 GLU 16 4.241 17.044 -5.781 175 HG2 GLU 16 HG2 GLU 16 6.382 16.548 -6.367 176 HG3 GLU 16 HG3 GLU 16 6.095 15.125 -5.411 177 H ALA 17 HN ALA 17 1.851 14.371 -7.304 178 HA ALA 17 HA ALA 17 -0.322 16.196 -7.077 179 HB1 ALA 17 HB1 ALA 17 -1.309 14.773 -8.849 180 HB2 ALA 17 HB2 ALA 17 0.384 15.069 -9.194 181 HB3 ALA 17 HB3 ALA 17 -0.117 13.512 -8.545 182 H PHE 18 HN PHE 18 0.130 12.793 -5.982 183 HA PHE 18 HA PHE 18 -2.563 12.530 -4.989 184 HB2 PHE 18 HB2 PHE 18 -1.264 10.692 -5.896 185 HB3 PHE 18 HB3 PHE 18 -0.073 10.811 -4.632 186 HD1 PHE 18 HD1 PHE 18 -0.599 9.996 -2.313 187 HD2 PHE 18 HD2 PHE 18 -3.549 9.797 -5.458 188 HE1 PHE 18 HE1 PHE 18 -1.991 8.499 -0.941 189 HE2 PHE 18 HE2 PHE 18 -4.903 8.290 -4.068 190 HZ PHE 18 HZ PHE 18 -4.126 7.636 -1.818 191 H MET 19 HN MET 19 0.625 13.158 -3.432 192 HA MET 19 HA MET 19 -0.387 13.103 -0.795 193 HB2 MET 19 HB2 MET 19 2.086 12.937 -1.754 194 HB3 MET 19 HB3 MET 19 2.105 14.638 -1.535 195 HG2 MET 19 HG2 MET 19 2.695 14.167 0.645 196 HG3 MET 19 HG3 MET 19 1.051 13.679 0.922 197 HE1 MET 19 HE1 MET 19 1.470 10.865 -1.237 198 HE2 MET 19 HE2 MET 19 1.647 9.683 0.048 199 HE3 MET 19 HE3 MET 19 0.368 10.898 0.148 200 H LYS 20 HN LYS 20 -0.293 15.676 -3.245 201 HA LYS 20 HA LYS 20 -1.152 17.804 -1.481 202 HB2 LYS 20 HB2 LYS 20 -0.033 18.312 -3.594 203 HB3 LYS 20 HB3 LYS 20 -1.253 17.466 -4.507 204 HG2 LYS 20 HG2 LYS 20 -2.981 19.152 -3.727 205 HG3 LYS 20 HG3 LYS 20 -1.733 20.005 -2.868 206 HD2 LYS 20 HD2 LYS 20 -1.767 19.522 -5.885 207 HD3 LYS 20 HD3 LYS 20 -2.429 20.938 -5.120 208 HE2 LYS 20 HE2 LYS 20 -0.113 21.452 -4.179 209 HE3 LYS 20 HE3 LYS 20 0.520 20.101 -5.104 210 HZ1 LYS 20 HZ1 LYS 20 -0.269 21.180 -7.093 211 HZ2 LYS 20 HZ2 LYS 20 0.758 22.161 -6.254 212 HZ3 LYS 20 HZ3 LYS 20 -0.865 22.442 -6.213 213 H ALA 21 HN ALA 21 -2.815 15.509 -3.720 214 HA ALA 21 HA ALA 21 -5.377 16.597 -3.465 215 HB1 ALA 21 HB1 ALA 21 -4.675 15.168 -5.346 216 HB2 ALA 21 HB2 ALA 21 -4.548 13.768 -4.280 217 HB3 ALA 21 HB3 ALA 21 -6.113 14.511 -4.598 218 H ILE 22 HN ILE 22 -3.818 14.121 -1.409 219 HA ILE 22 HA ILE 22 -6.253 13.501 0.048 220 HB ILE 22 HB ILE 22 -4.774 12.347 1.633 221 HG12 ILE 22 HG12 ILE 22 -2.445 13.247 -0.078 222 HG13 ILE 22 HG13 ILE 22 -2.766 13.848 1.511 223 HG21 ILE 22 HG21 ILE 22 -4.129 10.515 0.164 224 HG22 ILE 22 HG22 ILE 22 -5.638 11.199 -0.396 225 HG23 ILE 22 HG23 ILE 22 -4.145 11.567 -1.244 226 HD11 ILE 22 HD11 ILE 22 -1.070 12.191 1.785 227 HD12 ILE 22 HD12 ILE 22 -2.548 11.448 2.389 228 HD13 ILE 22 HD13 ILE 22 -1.923 11.011 0.796 229 H GLY 23 HN GLY 23 -4.023 16.161 0.177 230 HA2 GLY 23 HA2 GLY 23 -4.502 18.111 1.313 231 HA3 GLY 23 HA1 GLY 23 -5.505 17.278 2.475 232 H LEU 24 HN LEU 24 -2.249 15.928 1.851 233 HA LEU 24 HA LEU 24 -1.321 16.584 4.500 234 HB2 LEU 24 HB2 LEU 24 -0.409 14.933 2.210 235 HB3 LEU 24 HB3 LEU 24 0.905 15.821 2.900 236 HG LEU 24 HG LEU 24 0.298 14.929 5.154 237 HD11 LEU 24 HD11 LEU 24 -2.039 13.880 3.768 238 HD12 LEU 24 HD12 LEU 24 -1.684 13.926 5.486 239 HD13 LEU 24 HD13 LEU 24 -1.161 12.562 4.516 240 HD21 LEU 24 HD21 LEU 24 1.931 13.829 3.273 241 HD22 LEU 24 HD22 LEU 24 0.877 12.464 3.581 242 HD23 LEU 24 HD23 LEU 24 1.756 13.218 4.905 243 HA PRO 25 HA PRO 25 0.269 20.661 3.479 244 HB2 PRO 25 HB2 PRO 25 2.204 20.987 5.420 245 HB3 PRO 25 HB3 PRO 25 0.483 20.966 5.771 246 HG2 PRO 25 HG2 PRO 25 2.414 18.645 5.943 247 HG3 PRO 25 HG3 PRO 25 1.330 19.203 7.219 248 HD2 PRO 25 HD2 PRO 25 0.627 17.148 5.611 249 HD3 PRO 25 HD3 PRO 25 -0.602 18.354 6.023 250 H GLU 26 HN GLU 26 1.854 21.607 2.216 251 HA GLU 26 HA GLU 26 3.229 20.020 0.469 252 HB2 GLU 26 HB2 GLU 26 2.451 22.323 0.056 253 HB3 GLU 26 HB3 GLU 26 3.700 22.956 1.090 254 HG2 GLU 26 HG2 GLU 26 5.456 22.014 -0.512 255 HG3 GLU 26 HG3 GLU 26 4.164 21.428 -1.534 256 H GLU 27 HN GLU 27 4.561 21.282 3.514 257 HA GLU 27 HA GLU 27 7.285 20.779 2.821 258 HB2 GLU 27 HB2 GLU 27 6.444 22.404 4.506 259 HB3 GLU 27 HB3 GLU 27 6.019 21.093 5.563 260 HG2 GLU 27 HG2 GLU 27 8.225 20.630 6.165 261 HG3 GLU 27 HG3 GLU 27 8.861 21.022 4.584 262 H LEU 28 HN LEU 28 4.741 18.697 4.239 263 HA LEU 28 HA LEU 28 6.566 16.460 4.671 264 HB2 LEU 28 HB2 LEU 28 3.517 16.651 4.644 265 HB3 LEU 28 HB3 LEU 28 4.386 15.186 4.982 266 HG LEU 28 HG LEU 28 4.548 17.722 6.636 267 HD11 LEU 28 HD11 LEU 28 2.815 16.974 7.868 268 HD12 LEU 28 HD12 LEU 28 3.475 15.354 8.015 269 HD13 LEU 28 HD13 LEU 28 2.508 15.778 6.622 270 HD21 LEU 28 HD21 LEU 28 6.285 15.307 6.665 271 HD22 LEU 28 HD22 LEU 28 5.650 15.737 8.241 272 HD23 LEU 28 HD23 LEU 28 6.559 16.916 7.321 273 H ILE 29 HN ILE 29 4.858 17.768 1.890 274 HA ILE 29 HA ILE 29 4.997 15.312 0.328 275 HB ILE 29 HB ILE 29 4.773 18.185 -0.696 276 HG12 ILE 29 HG12 ILE 29 2.514 16.249 -0.084 277 HG13 ILE 29 HG13 ILE 29 2.882 17.662 0.826 278 HG21 ILE 29 HG21 ILE 29 3.865 17.135 -2.772 279 HG22 ILE 29 HG22 ILE 29 5.509 16.646 -2.485 280 HG23 ILE 29 HG23 ILE 29 4.196 15.544 -2.098 281 HD11 ILE 29 HD11 ILE 29 1.656 17.488 -1.921 282 HD12 ILE 29 HD12 ILE 29 1.160 18.453 -0.534 283 HD13 ILE 29 HD13 ILE 29 2.548 18.945 -1.501 284 H GLN 30 HN GLN 30 6.856 18.425 0.413 285 HA GLN 30 HA GLN 30 8.827 17.575 -1.443 286 HB2 GLN 30 HB2 GLN 30 8.755 19.868 0.577 287 HB3 GLN 30 HB3 GLN 30 10.014 19.693 -0.608 288 HG2 GLN 30 HG2 GLN 30 7.055 20.172 -1.203 289 HG3 GLN 30 HG3 GLN 30 8.352 21.318 -1.386 290 HE21 GLN 30 HE21 GLN 30 6.353 19.339 -3.112 291 HE22 GLN 30 HE22 GLN 30 7.344 19.059 -4.518 292 H LYS 31 HN LYS 31 8.647 16.977 1.991 293 HA LYS 31 HA LYS 31 11.482 16.131 2.102 294 HB2 LYS 31 HB2 LYS 31 9.264 16.198 4.180 295 HB3 LYS 31 HB3 LYS 31 10.873 15.597 4.489 296 HG2 LYS 31 HG2 LYS 31 11.884 17.778 4.027 297 HG3 LYS 31 HG3 LYS 31 10.392 18.432 3.456 298 HD2 LYS 31 HD2 LYS 31 10.382 19.325 5.576 299 HD3 LYS 31 HD3 LYS 31 9.442 17.896 5.850 300 HE2 LYS 31 HE2 LYS 31 10.992 18.028 7.669 301 HE3 LYS 31 HE3 LYS 31 11.574 16.717 6.659 302 HZ1 LYS 31 HZ1 LYS 31 13.132 18.277 5.687 303 HZ2 LYS 31 HZ2 LYS 31 13.321 18.200 7.323 304 HZ3 LYS 31 HZ3 LYS 31 12.556 19.492 6.640 305 H GLY 32 HN GLY 32 8.165 14.727 2.282 306 HA2 GLY 32 HA2 GLY 32 8.911 12.062 2.807 307 HA3 GLY 32 HA1 GLY 32 7.367 12.619 2.204 308 H LYS 33 HN LYS 33 8.896 13.777 -0.309 309 HA LYS 33 HA LYS 33 8.602 11.507 -2.013 310 HB2 LYS 33 HB2 LYS 33 9.282 12.994 -3.773 311 HB3 LYS 33 HB3 LYS 33 8.183 13.839 -2.727 312 HG2 LYS 33 HG2 LYS 33 10.160 14.990 -1.642 313 HG3 LYS 33 HG3 LYS 33 11.222 14.163 -2.750 314 HD2 LYS 33 HD2 LYS 33 9.947 15.222 -4.682 315 HD3 LYS 33 HD3 LYS 33 9.073 16.178 -3.509 316 HE2 LYS 33 HE2 LYS 33 11.214 17.207 -2.710 317 HE3 LYS 33 HE3 LYS 33 12.123 16.183 -3.806 318 HZ1 LYS 33 HZ1 LYS 33 11.827 18.307 -4.726 319 HZ2 LYS 33 HZ2 LYS 33 10.192 18.247 -4.563 320 HZ3 LYS 33 HZ3 LYS 33 10.956 17.237 -5.630 321 H ASP 34 HN ASP 34 11.343 12.742 -0.199 322 HA ASP 34 HA ASP 34 13.206 10.864 -1.549 323 HB2 ASP 34 HB2 ASP 34 13.811 13.416 -0.016 324 HB3 ASP 34 HB3 ASP 34 15.046 12.338 -0.591 325 H ILE 35 HN ILE 35 11.394 11.102 1.361 326 HA ILE 35 HA ILE 35 13.365 9.630 2.952 327 HB ILE 35 HB ILE 35 10.383 9.994 3.435 328 HG12 ILE 35 HG12 ILE 35 11.462 12.105 3.685 329 HG13 ILE 35 HG13 ILE 35 11.031 11.521 5.245 330 HG21 ILE 35 HG21 ILE 35 10.967 7.951 4.593 331 HG22 ILE 35 HG22 ILE 35 12.509 8.603 5.130 332 HG23 ILE 35 HG23 ILE 35 11.018 9.209 5.814 333 HD11 ILE 35 HD11 ILE 35 13.808 11.777 4.027 334 HD12 ILE 35 HD12 ILE 35 13.211 12.421 5.550 335 HD13 ILE 35 HD13 ILE 35 13.558 10.705 5.405 336 H LYS 36 HN LYS 36 14.009 7.823 2.104 337 HA LYS 36 HA LYS 36 12.623 5.978 0.502 338 HB2 LYS 36 HB2 LYS 36 14.631 4.565 0.936 339 HB3 LYS 36 HB3 LYS 36 14.978 6.180 0.419 340 HG2 LYS 36 HG2 LYS 36 15.023 6.347 3.275 341 HG3 LYS 36 HG3 LYS 36 15.755 4.824 2.917 342 HD2 LYS 36 HD2 LYS 36 16.583 7.488 1.656 343 HD3 LYS 36 HD3 LYS 36 17.324 6.834 3.080 344 HE2 LYS 36 HE2 LYS 36 17.332 5.425 0.351 345 HE3 LYS 36 HE3 LYS 36 18.638 6.413 0.971 346 HZ1 LYS 36 HZ1 LYS 36 19.034 4.124 1.383 347 HZ2 LYS 36 HZ2 LYS 36 17.636 3.976 2.245 348 HZ3 LYS 36 HZ3 LYS 36 18.859 4.924 2.814 349 H GLY 37 HN GLY 37 10.746 5.207 1.220 350 HA2 GLY 37 HA2 GLY 37 10.148 4.558 3.941 351 HA3 GLY 37 HA1 GLY 37 9.145 4.268 2.524 352 H VAL 38 HN VAL 38 9.260 2.458 4.612 353 HA VAL 38 HA VAL 38 10.143 0.048 3.144 354 HB VAL 38 HB VAL 38 10.440 0.488 6.159 355 HG11 VAL 38 HG11 VAL 38 10.843 -2.080 4.550 356 HG12 VAL 38 HG12 VAL 38 11.422 -1.848 6.196 357 HG13 VAL 38 HG13 VAL 38 9.707 -1.825 5.875 358 HG21 VAL 38 HG21 VAL 38 12.352 1.477 4.961 359 HG22 VAL 38 HG22 VAL 38 12.862 0.030 5.808 360 HG23 VAL 38 HG23 VAL 38 12.600 -0.022 4.068 361 H SER 39 HN SER 39 8.604 -1.461 3.041 362 HA SER 39 HA SER 39 6.126 -1.148 4.649 363 HB2 SER 39 HB2 SER 39 5.779 -0.809 2.197 364 HB3 SER 39 HB3 SER 39 6.556 -2.339 1.854 365 HG SER 39 HG SER 39 4.179 -1.983 3.361 366 H GLU 40 HN GLU 40 5.181 -3.136 5.366 367 HA GLU 40 HA GLU 40 6.685 -5.601 5.083 368 HB2 GLU 40 HB2 GLU 40 7.635 -4.578 7.143 369 HB3 GLU 40 HB3 GLU 40 6.060 -4.448 7.848 370 HG2 GLU 40 HG2 GLU 40 5.794 -6.920 7.886 371 HG3 GLU 40 HG3 GLU 40 7.344 -7.113 7.100 372 H ILE 41 HN ILE 41 5.319 -7.410 5.178 373 HA ILE 41 HA ILE 41 2.421 -6.858 5.518 374 HB ILE 41 HB ILE 41 3.420 -8.483 3.154 375 HG12 ILE 41 HG12 ILE 41 2.792 -5.513 2.931 376 HG13 ILE 41 HG13 ILE 41 4.400 -6.174 2.851 377 HG21 ILE 41 HG21 ILE 41 0.786 -7.069 3.783 378 HG22 ILE 41 HG22 ILE 41 1.098 -7.845 2.256 379 HG23 ILE 41 HG23 ILE 41 1.049 -8.807 3.712 380 HD11 ILE 41 HD11 ILE 41 3.853 -5.897 0.613 381 HD12 ILE 41 HD12 ILE 41 3.627 -7.624 0.870 382 HD13 ILE 41 HD13 ILE 41 2.235 -6.549 0.780 383 H VAL 42 HN VAL 42 1.203 -8.711 5.996 384 HA VAL 42 HA VAL 42 2.588 -11.287 6.447 385 HB VAL 42 HB VAL 42 0.723 -10.047 8.536 386 HG11 VAL 42 HG11 VAL 42 2.584 -12.453 8.719 387 HG12 VAL 42 HG12 VAL 42 1.581 -11.834 10.025 388 HG13 VAL 42 HG13 VAL 42 0.833 -12.521 8.597 389 HG21 VAL 42 HG21 VAL 42 2.706 -8.614 8.641 390 HG22 VAL 42 HG22 VAL 42 2.695 -9.682 10.028 391 HG23 VAL 42 HG23 VAL 42 3.768 -10.020 8.674 392 H GLN 43 HN GLN 43 1.201 -13.017 6.062 393 HA GLN 43 HA GLN 43 -1.661 -12.442 5.429 394 HB2 GLN 43 HB2 GLN 43 -0.349 -12.690 3.373 395 HB3 GLN 43 HB3 GLN 43 0.299 -14.219 3.905 396 HG2 GLN 43 HG2 GLN 43 -1.948 -15.267 3.817 397 HG3 GLN 43 HG3 GLN 43 -2.695 -13.713 3.520 398 HE21 GLN 43 HE21 GLN 43 -3.568 -15.248 1.731 399 HE22 GLN 43 HE22 GLN 43 -2.707 -15.196 0.214 400 H ASN 44 HN ASN 44 -3.014 -13.571 6.612 401 HA ASN 44 HA ASN 44 -2.229 -16.121 7.898 402 HB2 ASN 44 HB2 ASN 44 -3.454 -13.621 9.204 403 HB3 ASN 44 HB3 ASN 44 -3.555 -15.203 9.935 404 HD21 ASN 44 HD21 ASN 44 -1.788 -12.417 10.067 405 HD22 ASN 44 HD22 ASN 44 -0.323 -13.077 10.747 406 H GLY 45 HN GLY 45 -3.408 -16.726 5.831 407 HA2 GLY 45 HA2 GLY 45 -5.223 -17.784 4.925 408 HA3 GLY 45 HA1 GLY 45 -6.107 -17.542 6.423 409 H LYS 46 HN LYS 46 -7.813 -16.132 6.311 410 HA LYS 46 HA LYS 46 -8.275 -14.407 3.993 411 HB2 LYS 46 HB2 LYS 46 -9.854 -14.768 6.580 412 HB3 LYS 46 HB3 LYS 46 -10.400 -13.902 5.173 413 HG2 LYS 46 HG2 LYS 46 -9.913 -16.914 5.350 414 HG3 LYS 46 HG3 LYS 46 -11.439 -16.096 5.348 415 HD2 LYS 46 HD2 LYS 46 -11.447 -16.645 3.148 416 HD3 LYS 46 HD3 LYS 46 -10.596 -15.138 2.987 417 HE2 LYS 46 HE2 LYS 46 -8.394 -16.358 2.921 418 HE3 LYS 46 HE3 LYS 46 -9.231 -17.875 3.177 419 HZ1 LYS 46 HZ1 LYS 46 -9.601 -16.088 0.884 420 HZ2 LYS 46 HZ2 LYS 46 -10.382 -17.521 1.118 421 HZ3 LYS 46 HZ3 LYS 46 -8.749 -17.499 0.895 422 H HIS 47 HN HIS 47 -7.058 -14.031 7.316 423 HA HIS 47 HA HIS 47 -7.374 -11.160 7.360 424 HB2 HIS 47 HB2 HIS 47 -7.314 -12.609 9.405 425 HB3 HIS 47 HB3 HIS 47 -5.629 -12.936 9.115 426 HD1 HIS 47 HD1 HIS 47 -7.988 -10.014 9.843 427 HD2 HIS 47 HD2 HIS 47 -3.874 -10.909 10.149 428 HE1 HIS 47 HE1 HIS 47 -6.870 -8.180 11.166 429 H PHE 48 HN PHE 48 -5.958 -9.620 6.824 430 HA PHE 48 HA PHE 48 -3.169 -10.278 6.021 431 HB2 PHE 48 HB2 PHE 48 -5.233 -8.502 4.692 432 HB3 PHE 48 HB3 PHE 48 -3.545 -8.116 4.532 433 HD1 PHE 48 HD1 PHE 48 -1.966 -9.579 3.313 434 HD2 PHE 48 HD2 PHE 48 -6.166 -10.519 3.542 435 HE1 PHE 48 HE1 PHE 48 -1.737 -11.150 1.440 436 HE2 PHE 48 HE2 PHE 48 -5.910 -12.062 1.636 437 HZ PHE 48 HZ PHE 48 -3.700 -12.352 0.568 438 H LYS 49 HN LYS 49 -1.664 -8.781 6.651 439 HA LYS 49 HA LYS 49 -2.578 -6.357 8.093 440 HB2 LYS 49 HB2 LYS 49 -1.863 -8.245 9.696 441 HB3 LYS 49 HB3 LYS 49 -0.254 -8.096 9.038 442 HG2 LYS 49 HG2 LYS 49 -0.340 -5.605 9.701 443 HG3 LYS 49 HG3 LYS 49 -1.868 -5.923 10.460 444 HD2 LYS 49 HD2 LYS 49 0.866 -7.034 11.222 445 HD3 LYS 49 HD3 LYS 49 -0.110 -5.930 12.137 446 HE2 LYS 49 HE2 LYS 49 -0.675 -8.908 11.702 447 HE3 LYS 49 HE3 LYS 49 -0.204 -8.118 13.190 448 HZ1 LYS 49 HZ1 LYS 49 -2.737 -7.772 11.762 449 HZ2 LYS 49 HZ2 LYS 49 -2.291 -6.859 13.048 450 HZ3 LYS 49 HZ3 LYS 49 -2.506 -8.492 13.227 451 H PHE 50 HN PHE 50 -1.621 -4.624 7.297 452 HA PHE 50 HA PHE 50 0.915 -4.846 5.730 453 HB2 PHE 50 HB2 PHE 50 -1.592 -3.181 5.319 454 HB3 PHE 50 HB3 PHE 50 -0.060 -2.522 4.839 455 HD1 PHE 50 HD1 PHE 50 -2.332 -5.449 4.268 456 HD2 PHE 50 HD2 PHE 50 1.083 -3.226 2.847 457 HE1 PHE 50 HE1 PHE 50 -2.378 -6.697 2.143 458 HE2 PHE 50 HE2 PHE 50 0.996 -4.479 0.735 459 HZ PHE 50 HZ PHE 50 -0.734 -6.207 0.381 460 H THR 51 HN THR 51 2.453 -3.376 6.141 461 HA THR 51 HA THR 51 2.016 -1.239 8.126 462 HB THR 51 HB THR 51 4.558 -2.916 7.816 463 HG1 THR 51 HG1 THR 51 2.944 -3.999 8.950 464 HG21 THR 51 HG21 THR 51 3.963 -0.661 9.798 465 HG22 THR 51 HG22 THR 51 5.159 -0.595 8.505 466 HG23 THR 51 HG23 THR 51 5.384 -1.698 9.846 467 H ILE 52 HN ILE 52 2.890 0.714 7.394 468 HA ILE 52 HA ILE 52 4.839 0.726 5.175 469 HB ILE 52 HB ILE 52 2.328 2.470 5.214 470 HG12 ILE 52 HG12 ILE 52 3.206 0.453 3.108 471 HG13 ILE 52 HG13 ILE 52 1.946 0.171 4.271 472 HG21 ILE 52 HG21 ILE 52 4.729 2.603 3.318 473 HG22 ILE 52 HG22 ILE 52 3.238 3.519 3.117 474 HG23 ILE 52 HG23 ILE 52 4.270 3.843 4.480 475 HD11 ILE 52 HD11 ILE 52 0.887 2.422 3.243 476 HD12 ILE 52 HD12 ILE 52 1.844 1.929 1.846 477 HD13 ILE 52 HD13 ILE 52 0.631 0.844 2.509 478 H THR 53 HN THR 53 6.531 1.838 5.927 479 HA THR 53 HA THR 53 6.156 3.912 8.045 480 HB THR 53 HB THR 53 8.415 1.879 7.643 481 HG1 THR 53 HG1 THR 53 7.691 1.207 9.712 482 HG21 THR 53 HG21 THR 53 9.312 2.762 9.831 483 HG22 THR 53 HG22 THR 53 8.155 4.089 9.752 484 HG23 THR 53 HG23 THR 53 9.433 3.951 8.550 485 H ALA 54 HN ALA 54 6.503 5.854 7.145 486 HA ALA 54 HA ALA 54 8.947 6.491 5.782 487 HB1 ALA 54 HB1 ALA 54 7.910 7.265 3.640 488 HB2 ALA 54 HB2 ALA 54 7.666 5.537 3.821 489 HB3 ALA 54 HB3 ALA 54 6.342 6.642 4.148 490 H GLY 55 HN GLY 55 9.374 8.654 6.021 491 HA2 GLY 55 HA2 GLY 55 9.021 10.899 6.380 492 HA3 GLY 55 HA1 GLY 55 7.292 10.653 6.474 493 H SER 56 HN SER 56 9.709 8.882 8.467 494 HA SER 56 HA SER 56 10.127 8.698 10.612 495 HB2 SER 56 HB2 SER 56 10.867 11.095 10.331 496 HB3 SER 56 HB3 SER 56 9.309 11.637 10.920 497 HG SER 56 HG SER 56 9.748 10.548 12.869 498 H LYS 57 HN LYS 57 7.483 7.960 9.658 499 HA LYS 57 HA LYS 57 6.133 7.602 12.218 500 HB2 LYS 57 HB2 LYS 57 3.984 8.486 11.442 501 HB3 LYS 57 HB3 LYS 57 5.196 9.721 11.434 502 HG2 LYS 57 HG2 LYS 57 4.218 10.206 9.424 503 HG3 LYS 57 HG3 LYS 57 5.461 9.155 8.869 504 HD2 LYS 57 HD2 LYS 57 3.821 8.040 7.763 505 HD3 LYS 57 HD3 LYS 57 3.414 7.311 9.283 506 HE2 LYS 57 HE2 LYS 57 2.116 9.852 8.188 507 HE3 LYS 57 HE3 LYS 57 1.416 8.249 8.144 508 HZ1 LYS 57 HZ1 LYS 57 1.430 8.201 10.521 509 HZ2 LYS 57 HZ2 LYS 57 0.579 9.496 9.956 510 HZ3 LYS 57 HZ3 LYS 57 2.090 9.713 10.586 511 H VAL 58 HN VAL 58 4.685 5.887 12.225 512 HA VAL 58 HA VAL 58 4.969 3.916 9.998 513 HB VAL 58 HB VAL 58 4.356 3.505 12.969 514 HG11 VAL 58 HG11 VAL 58 4.733 1.052 12.469 515 HG12 VAL 58 HG12 VAL 58 3.282 1.692 11.738 516 HG13 VAL 58 HG13 VAL 58 4.721 1.442 10.751 517 HG21 VAL 58 HG21 VAL 58 6.945 2.900 11.486 518 HG22 VAL 58 HG22 VAL 58 6.722 4.127 12.727 519 HG23 VAL 58 HG23 VAL 58 6.583 2.430 13.140 520 H ILE 59 HN ILE 59 3.135 3.097 9.125 521 HA ILE 59 HA ILE 59 0.465 3.616 10.370 522 HB ILE 59 HB ILE 59 1.088 3.038 7.415 523 HG12 ILE 59 HG12 ILE 59 -0.104 5.481 7.299 524 HG13 ILE 59 HG13 ILE 59 0.695 5.673 8.823 525 HG21 ILE 59 HG21 ILE 59 -1.318 3.531 7.029 526 HG22 ILE 59 HG22 ILE 59 -1.121 2.148 8.073 527 HG23 ILE 59 HG23 ILE 59 -1.568 3.706 8.762 528 HD11 ILE 59 HD11 ILE 59 2.192 4.740 6.305 529 HD12 ILE 59 HD12 ILE 59 1.954 6.435 6.674 530 HD13 ILE 59 HD13 ILE 59 2.890 5.429 7.769 531 H GLN 60 HN GLN 60 -0.584 1.726 10.903 532 HA GLN 60 HA GLN 60 0.194 -0.803 9.568 533 HB2 GLN 60 HB2 GLN 60 -0.450 -0.430 12.531 534 HB3 GLN 60 HB3 GLN 60 -0.585 -1.959 11.705 535 HG2 GLN 60 HG2 GLN 60 1.855 -1.792 11.042 536 HG3 GLN 60 HG3 GLN 60 1.992 -0.351 12.021 537 HE21 GLN 60 HE21 GLN 60 3.747 -2.045 12.816 538 HE22 GLN 60 HE22 GLN 60 3.268 -2.987 14.204 539 H ASN 61 HN ASN 61 -1.511 -2.042 8.907 540 HA ASN 61 HA ASN 61 -4.241 -1.206 9.546 541 HB2 ASN 61 HB2 ASN 61 -2.976 -1.134 6.750 542 HB3 ASN 61 HB3 ASN 61 -4.677 -1.458 6.932 543 HD21 ASN 61 HD21 ASN 61 -2.923 1.007 6.009 544 HD22 ASN 61 HD22 ASN 61 -3.863 2.317 6.683 545 H GLU 62 HN GLU 62 -5.073 -2.972 10.318 546 HA GLU 62 HA GLU 62 -4.723 -5.648 9.176 547 HB2 GLU 62 HB2 GLU 62 -6.540 -4.431 11.321 548 HB3 GLU 62 HB3 GLU 62 -6.721 -6.054 10.781 549 HG2 GLU 62 HG2 GLU 62 -5.457 -6.246 12.759 550 HG3 GLU 62 HG3 GLU 62 -4.316 -6.521 11.468 551 H PHE 63 HN PHE 63 -6.324 -6.741 8.052 552 HA PHE 63 HA PHE 63 -8.971 -5.891 7.975 553 HB2 PHE 63 HB2 PHE 63 -9.366 -5.605 5.558 554 HB3 PHE 63 HB3 PHE 63 -8.395 -4.323 6.179 555 HD1 PHE 63 HD1 PHE 63 -8.379 -7.417 4.093 556 HD2 PHE 63 HD2 PHE 63 -6.061 -4.027 5.434 557 HE1 PHE 63 HE1 PHE 63 -6.670 -7.881 2.392 558 HE2 PHE 63 HE2 PHE 63 -4.397 -4.500 3.687 559 HZ PHE 63 HZ PHE 63 -4.699 -6.422 2.172 560 H THR 64 HN THR 64 -10.364 -7.475 6.786 561 HA THR 64 HA THR 64 -9.048 -10.114 6.335 562 HB THR 64 HB THR 64 -11.649 -9.511 7.838 563 HG1 THR 64 HG1 THR 64 -10.578 -10.632 9.479 564 HG21 THR 64 HG21 THR 64 -11.855 -11.989 8.163 565 HG22 THR 64 HG22 THR 64 -10.518 -12.248 7.046 566 HG23 THR 64 HG23 THR 64 -12.043 -11.568 6.476 567 H VAL 65 HN VAL 65 -9.412 -10.785 4.299 568 HA VAL 65 HA VAL 65 -11.028 -9.179 2.583 569 HB VAL 65 HB VAL 65 -10.340 -10.598 0.771 570 HG11 VAL 65 HG11 VAL 65 -8.096 -9.859 2.669 571 HG12 VAL 65 HG12 VAL 65 -7.846 -10.274 0.991 572 HG13 VAL 65 HG13 VAL 65 -8.816 -8.869 1.412 573 HG21 VAL 65 HG21 VAL 65 -9.155 -12.549 2.776 574 HG22 VAL 65 HG22 VAL 65 -10.388 -12.876 1.566 575 HG23 VAL 65 HG23 VAL 65 -8.753 -12.517 1.068 576 H GLY 66 HN GLY 66 -13.038 -9.378 1.955 577 HA2 GLY 66 HA2 GLY 66 -15.059 -10.515 1.403 578 HA3 GLY 66 HA1 GLY 66 -14.666 -11.838 2.476 579 H GLU 67 HN GLU 67 -13.723 -9.280 4.373 580 HA GLU 67 HA GLU 67 -16.451 -8.703 5.467 581 HB2 GLU 67 HB2 GLU 67 -13.794 -9.068 6.925 582 HB3 GLU 67 HB3 GLU 67 -15.252 -8.482 7.669 583 HG2 GLU 67 HG2 GLU 67 -16.393 -10.675 7.045 584 HG3 GLU 67 HG3 GLU 67 -14.848 -11.270 6.478 585 H GLU 68 HN GLU 68 -16.705 -6.689 6.519 586 HA GLU 68 HA GLU 68 -15.161 -4.461 5.405 587 HB2 GLU 68 HB2 GLU 68 -17.584 -4.289 5.430 588 HB3 GLU 68 HB3 GLU 68 -17.641 -4.560 7.146 589 HG2 GLU 68 HG2 GLU 68 -16.559 -2.409 7.620 590 HG3 GLU 68 HG3 GLU 68 -16.125 -2.194 5.945 591 H CYS 69 HN CYS 69 -13.519 -3.535 6.362 592 HA CYS 69 HA CYS 69 -13.137 -3.653 9.301 593 HB2 CYS 69 HB2 CYS 69 -11.048 -4.377 7.167 594 HB3 CYS 69 HB3 CYS 69 -10.636 -3.978 8.825 595 HG CYS 69 HG CYS 69 -11.989 -5.808 9.994 596 H GLU 70 HN GLU 70 -11.838 -1.904 10.099 597 HA GLU 70 HA GLU 70 -12.224 0.529 8.494 598 HB2 GLU 70 HB2 GLU 70 -13.186 0.333 10.726 599 HB3 GLU 70 HB3 GLU 70 -11.607 0.120 11.428 600 HG2 GLU 70 HG2 GLU 70 -10.933 2.392 10.825 601 HG3 GLU 70 HG3 GLU 70 -12.342 2.610 9.816 602 H LEU 71 HN LEU 71 -10.694 1.231 7.228 603 HA LEU 71 HA LEU 71 -7.842 0.617 7.721 604 HB2 LEU 71 HB2 LEU 71 -9.370 1.818 5.352 605 HB3 LEU 71 HB3 LEU 71 -7.637 1.663 5.394 606 HG LEU 71 HG LEU 71 -9.599 -0.648 5.502 607 HD11 LEU 71 HD11 LEU 71 -9.435 -0.880 3.246 608 HD12 LEU 71 HD12 LEU 71 -7.737 -0.449 3.184 609 HD13 LEU 71 HD13 LEU 71 -8.954 0.809 3.253 610 HD21 LEU 71 HD21 LEU 71 -7.125 -1.785 4.896 611 HD22 LEU 71 HD22 LEU 71 -7.890 -1.797 6.472 612 HD23 LEU 71 HD23 LEU 71 -6.689 -0.573 6.086 613 H GLU 72 HN GLU 72 -6.417 2.085 8.365 614 HA GLU 72 HA GLU 72 -7.231 4.869 8.840 615 HB2 GLU 72 HB2 GLU 72 -6.181 3.446 10.624 616 HB3 GLU 72 HB3 GLU 72 -4.724 3.368 9.688 617 HG2 GLU 72 HG2 GLU 72 -4.379 5.808 9.851 618 HG3 GLU 72 HG3 GLU 72 -5.934 6.026 10.612 619 H THR 73 HN THR 73 -6.265 6.581 7.791 620 HA THR 73 HA THR 73 -4.910 5.969 5.230 621 HB THR 73 HB THR 73 -5.749 8.140 4.563 622 HG1 THR 73 HG1 THR 73 -6.840 9.482 6.020 623 HG21 THR 73 HG21 THR 73 -8.040 6.867 6.133 624 HG22 THR 73 HG22 THR 73 -7.469 6.300 4.572 625 HG23 THR 73 HG23 THR 73 -8.160 7.911 4.726 626 H MET 74 HN MET 74 -3.497 7.884 4.434 627 HA MET 74 HA MET 74 -1.214 8.230 6.130 628 HB2 MET 74 HB2 MET 74 -1.994 9.455 3.451 629 HB3 MET 74 HB3 MET 74 -0.451 9.725 4.215 630 HG2 MET 74 HG2 MET 74 -0.084 7.206 4.225 631 HG3 MET 74 HG3 MET 74 -1.541 7.030 3.272 632 HE1 MET 74 HE1 MET 74 1.523 6.027 2.607 633 HE2 MET 74 HE2 MET 74 0.096 5.596 1.653 634 HE3 MET 74 HE3 MET 74 1.516 6.284 0.855 635 H THR 75 HN THR 75 -4.110 10.207 5.638 636 HA THR 75 HA THR 75 -3.002 12.591 6.918 637 HB THR 75 HB THR 75 -5.329 13.409 6.856 638 HG1 THR 75 HG1 THR 75 -6.981 12.203 6.095 639 HG21 THR 75 HG21 THR 75 -4.524 12.187 4.176 640 HG22 THR 75 HG22 THR 75 -4.130 13.800 4.777 641 HG23 THR 75 HG23 THR 75 -5.794 13.380 4.422 642 H GLY 76 HN GLY 76 -4.308 9.543 8.011 643 HA2 GLY 76 HA2 GLY 76 -4.224 8.822 10.221 644 HA3 GLY 76 HA1 GLY 76 -4.253 10.461 10.834 645 H GLU 77 HN GLU 77 -6.659 10.094 8.391 646 HA GLU 77 HA GLU 77 -8.930 9.919 10.200 647 HB2 GLU 77 HB2 GLU 77 -8.635 9.748 7.157 648 HB3 GLU 77 HB3 GLU 77 -10.166 9.741 7.976 649 HG2 GLU 77 HG2 GLU 77 -9.844 12.010 8.830 650 HG3 GLU 77 HG3 GLU 77 -8.183 12.051 8.288 651 H LYS 78 HN LYS 78 -10.493 8.170 10.210 652 HA LYS 78 HA LYS 78 -9.501 5.506 9.299 653 HB2 LYS 78 HB2 LYS 78 -10.837 6.190 11.958 654 HB3 LYS 78 HB3 LYS 78 -10.558 4.582 11.355 655 HG2 LYS 78 HG2 LYS 78 -8.071 5.057 11.284 656 HG3 LYS 78 HG3 LYS 78 -8.379 6.611 11.997 657 HD2 LYS 78 HD2 LYS 78 -7.776 5.333 13.853 658 HD3 LYS 78 HD3 LYS 78 -9.508 5.391 13.957 659 HE2 LYS 78 HE2 LYS 78 -8.812 3.135 14.466 660 HE3 LYS 78 HE3 LYS 78 -9.629 3.066 12.918 661 HZ1 LYS 78 HZ1 LYS 78 -6.713 3.230 13.246 662 HZ2 LYS 78 HZ2 LYS 78 -7.531 3.020 11.842 663 HZ3 LYS 78 HZ3 LYS 78 -7.565 1.834 12.986 664 H VAL 79 HN VAL 79 -10.904 4.436 8.059 665 HA VAL 79 HA VAL 79 -13.777 5.131 8.047 666 HB VAL 79 HB VAL 79 -13.688 5.228 5.531 667 HG11 VAL 79 HG11 VAL 79 -12.207 7.532 6.846 668 HG12 VAL 79 HG12 VAL 79 -13.132 7.580 5.352 669 HG13 VAL 79 HG13 VAL 79 -13.952 7.289 6.879 670 HG21 VAL 79 HG21 VAL 79 -11.583 5.901 4.387 671 HG22 VAL 79 HG22 VAL 79 -10.666 5.542 5.839 672 HG23 VAL 79 HG23 VAL 79 -11.502 4.253 4.978 673 H LYS 80 HN LYS 80 -15.075 3.460 7.678 674 HA LYS 80 HA LYS 80 -14.071 0.777 7.445 675 HB2 LYS 80 HB2 LYS 80 -16.765 2.108 7.761 676 HB3 LYS 80 HB3 LYS 80 -16.731 0.510 7.090 677 HG2 LYS 80 HG2 LYS 80 -15.410 -0.359 8.990 678 HG3 LYS 80 HG3 LYS 80 -15.510 1.196 9.780 679 HD2 LYS 80 HD2 LYS 80 -17.873 1.031 10.081 680 HD3 LYS 80 HD3 LYS 80 -18.061 -0.191 8.859 681 HE2 LYS 80 HE2 LYS 80 -16.752 -1.800 10.367 682 HE3 LYS 80 HE3 LYS 80 -16.789 -0.568 11.619 683 HZ1 LYS 80 HZ1 LYS 80 -19.122 -1.777 10.303 684 HZ2 LYS 80 HZ2 LYS 80 -19.191 -0.638 11.495 685 HZ3 LYS 80 HZ3 LYS 80 -18.577 -2.137 11.819 686 H THR 81 HN THR 81 -14.168 -0.680 5.823 687 HA THR 81 HA THR 81 -15.662 -0.385 3.453 688 HB THR 81 HB THR 81 -13.959 1.251 2.735 689 HG1 THR 81 HG1 THR 81 -13.269 0.236 0.904 690 HG21 THR 81 HG21 THR 81 -11.571 0.694 2.463 691 HG22 THR 81 HG22 THR 81 -11.810 -0.897 3.163 692 HG23 THR 81 HG23 THR 81 -11.995 0.544 4.159 693 H VAL 82 HN VAL 82 -15.660 -2.271 2.208 694 HA VAL 82 HA VAL 82 -14.518 -4.706 3.363 695 HB VAL 82 HB VAL 82 -16.157 -4.165 0.851 696 HG11 VAL 82 HG11 VAL 82 -15.245 -6.870 1.942 697 HG12 VAL 82 HG12 VAL 82 -16.531 -6.667 0.758 698 HG13 VAL 82 HG13 VAL 82 -14.901 -6.193 0.349 699 HG21 VAL 82 HG21 VAL 82 -17.450 -3.859 2.957 700 HG22 VAL 82 HG22 VAL 82 -18.017 -5.252 2.052 701 HG23 VAL 82 HG23 VAL 82 -16.998 -5.486 3.465 702 H VAL 83 HN VAL 83 -12.809 -5.860 2.577 703 HA VAL 83 HA VAL 83 -11.411 -4.842 0.138 704 HB VAL 83 HB VAL 83 -10.156 -6.453 2.412 705 HG11 VAL 83 HG11 VAL 83 -7.998 -5.652 1.291 706 HG12 VAL 83 HG12 VAL 83 -8.933 -6.803 0.354 707 HG13 VAL 83 HG13 VAL 83 -8.960 -5.101 -0.056 708 HG21 VAL 83 HG21 VAL 83 -10.645 -4.295 3.410 709 HG22 VAL 83 HG22 VAL 83 -8.934 -4.330 3.034 710 HG23 VAL 83 HG23 VAL 83 -10.030 -3.434 2.008 711 H GLN 84 HN GLN 84 -10.886 -6.294 -1.407 712 HA GLN 84 HA GLN 84 -11.954 -9.082 -1.214 713 HB2 GLN 84 HB2 GLN 84 -11.826 -7.160 -3.601 714 HB3 GLN 84 HB3 GLN 84 -12.436 -8.783 -3.664 715 HG2 GLN 84 HG2 GLN 84 -13.726 -6.522 -2.022 716 HG3 GLN 84 HG3 GLN 84 -14.204 -6.995 -3.620 717 HE21 GLN 84 HE21 GLN 84 -13.959 -8.252 -0.247 718 HE22 GLN 84 HE22 GLN 84 -15.265 -9.397 -0.430 719 H LEU 85 HN LEU 85 -10.813 -10.627 -2.549 720 HA LEU 85 HA LEU 85 -8.071 -9.900 -3.370 721 HB2 LEU 85 HB2 LEU 85 -7.915 -10.842 -1.086 722 HB3 LEU 85 HB3 LEU 85 -8.856 -12.222 -1.564 723 HG LEU 85 HG LEU 85 -7.005 -12.852 -3.168 724 HD11 LEU 85 HD11 LEU 85 -4.808 -11.411 -1.893 725 HD12 LEU 85 HD12 LEU 85 -5.931 -10.277 -2.594 726 HD13 LEU 85 HD13 LEU 85 -5.236 -11.534 -3.590 727 HD21 LEU 85 HD21 LEU 85 -7.019 -13.149 -0.273 728 HD22 LEU 85 HD22 LEU 85 -5.395 -13.275 -0.914 729 HD23 LEU 85 HD23 LEU 85 -6.660 -14.311 -1.536 730 H GLU 86 HN GLU 86 -7.564 -10.680 -5.296 731 HA GLU 86 HA GLU 86 -9.420 -12.484 -6.732 732 HB2 GLU 86 HB2 GLU 86 -7.013 -11.016 -7.874 733 HB3 GLU 86 HB3 GLU 86 -8.389 -11.638 -8.724 734 HG2 GLU 86 HG2 GLU 86 -8.342 -9.166 -6.933 735 HG3 GLU 86 HG3 GLU 86 -8.528 -9.213 -8.661 736 H GLY 87 HN GLY 87 -7.785 -13.695 -8.560 737 HA2 GLY 87 HA2 GLY 87 -6.519 -15.809 -6.964 738 HA3 GLY 87 HA1 GLY 87 -6.794 -15.776 -8.691 739 H ASP 88 HN ASP 88 -5.426 -13.057 -8.987 740 HA ASP 88 HA ASP 88 -2.763 -14.187 -9.418 741 HB2 ASP 88 HB2 ASP 88 -4.390 -12.886 -11.073 742 HB3 ASP 88 HB3 ASP 88 -3.658 -11.454 -10.392 743 H ASN 89 HN ASN 89 -3.477 -13.471 -6.667 744 HA ASN 89 HA ASN 89 -2.666 -12.458 -4.806 745 HB2 ASN 89 HB2 ASN 89 -0.129 -11.554 -6.155 746 HB3 ASN 89 HB3 ASN 89 -0.355 -12.205 -4.555 747 HD21 ASN 89 HD21 ASN 89 0.944 -12.695 -7.568 748 HD22 ASN 89 HD22 ASN 89 1.085 -14.437 -7.565 749 H LYS 90 HN LYS 90 -4.483 -10.923 -6.168 750 HA LYS 90 HA LYS 90 -3.396 -8.148 -5.972 751 HB2 LYS 90 HB2 LYS 90 -5.681 -9.238 -7.662 752 HB3 LYS 90 HB3 LYS 90 -5.244 -7.558 -7.543 753 HG2 LYS 90 HG2 LYS 90 -3.055 -7.991 -8.588 754 HG3 LYS 90 HG3 LYS 90 -3.350 -9.700 -8.584 755 HD2 LYS 90 HD2 LYS 90 -3.892 -9.203 -10.779 756 HD3 LYS 90 HD3 LYS 90 -5.455 -9.212 -10.030 757 HE2 LYS 90 HE2 LYS 90 -5.501 -7.274 -11.381 758 HE3 LYS 90 HE3 LYS 90 -5.190 -6.615 -9.786 759 HZ1 LYS 90 HZ1 LYS 90 -3.712 -5.693 -11.408 760 HZ2 LYS 90 HZ2 LYS 90 -3.204 -7.192 -11.880 761 HZ3 LYS 90 HZ3 LYS 90 -2.821 -6.649 -10.391 762 H LEU 91 HN LEU 91 -4.151 -7.041 -4.234 763 HA LEU 91 HA LEU 91 -6.801 -7.658 -3.055 764 HB2 LEU 91 HB2 LEU 91 -4.666 -5.584 -2.315 765 HB3 LEU 91 HB3 LEU 91 -6.234 -5.635 -1.599 766 HG LEU 91 HG LEU 91 -4.739 -6.543 -0.087 767 HD11 LEU 91 HD11 LEU 91 -6.589 -8.709 -1.160 768 HD12 LEU 91 HD12 LEU 91 -6.853 -7.577 0.146 769 HD13 LEU 91 HD13 LEU 91 -5.679 -8.867 0.330 770 HD21 LEU 91 HD21 LEU 91 -3.897 -9.023 -1.402 771 HD22 LEU 91 HD22 LEU 91 -2.992 -7.877 -0.421 772 HD23 LEU 91 HD23 LEU 91 -3.227 -7.564 -2.131 773 H VAL 92 HN VAL 92 -8.501 -6.181 -3.125 774 HA VAL 92 HA VAL 92 -8.201 -3.671 -4.652 775 HB VAL 92 HB VAL 92 -10.433 -5.702 -5.182 776 HG11 VAL 92 HG11 VAL 92 -11.172 -4.101 -6.971 777 HG12 VAL 92 HG12 VAL 92 -11.353 -3.428 -5.369 778 HG13 VAL 92 HG13 VAL 92 -10.000 -2.927 -6.382 779 HG21 VAL 92 HG21 VAL 92 -8.455 -6.483 -6.374 780 HG22 VAL 92 HG22 VAL 92 -9.577 -5.802 -7.527 781 HG23 VAL 92 HG23 VAL 92 -8.162 -4.874 -7.037 782 H THR 93 HN THR 93 -9.175 -2.053 -3.560 783 HA THR 93 HA THR 93 -11.617 -2.345 -2.102 784 HB THR 93 HB THR 93 -10.079 -3.219 -0.370 785 HG1 THR 93 HG1 THR 93 -11.790 -2.117 0.427 786 HG21 THR 93 HG21 THR 93 -8.739 -0.519 -0.120 787 HG22 THR 93 HG22 THR 93 -7.983 -1.855 -1.006 788 HG23 THR 93 HG23 THR 93 -8.343 -2.006 0.708 789 H THR 94 HN THR 94 -12.085 -0.107 -0.949 790 HA THR 94 HA THR 94 -11.003 2.188 -2.471 791 HB THR 94 HB THR 94 -13.419 2.989 -2.773 792 HG1 THR 94 HG1 THR 94 -14.370 1.551 -1.299 793 HG21 THR 94 HG21 THR 94 -12.748 0.449 -4.338 794 HG22 THR 94 HG22 THR 94 -12.344 2.104 -4.794 795 HG23 THR 94 HG23 THR 94 -14.015 1.596 -4.745 796 H PHE 95 HN PHE 95 -10.939 4.059 -1.228 797 HA PHE 95 HA PHE 95 -12.591 4.305 1.187 798 HB2 PHE 95 HB2 PHE 95 -10.779 4.529 2.715 799 HB3 PHE 95 HB3 PHE 95 -10.533 3.026 1.901 800 HD1 PHE 95 HD1 PHE 95 -9.159 6.336 2.619 801 HD2 PHE 95 HD2 PHE 95 -8.696 2.866 0.094 802 HE1 PHE 95 HE1 PHE 95 -6.885 7.059 2.010 803 HE2 PHE 95 HE2 PHE 95 -6.428 3.626 -0.485 804 HZ PHE 95 HZ PHE 95 -5.526 5.708 0.461 805 H LYS 96 HN LYS 96 -13.411 6.316 1.146 806 HA LYS 96 HA LYS 96 -13.800 8.459 0.671 807 HB2 LYS 96 HB2 LYS 96 -10.771 8.821 0.874 808 HB3 LYS 96 HB3 LYS 96 -11.985 10.063 1.026 809 HG2 LYS 96 HG2 LYS 96 -12.858 8.591 3.057 810 HG3 LYS 96 HG3 LYS 96 -11.242 7.930 3.016 811 HD2 LYS 96 HD2 LYS 96 -12.033 10.862 3.346 812 HD3 LYS 96 HD3 LYS 96 -11.354 9.836 4.572 813 HE2 LYS 96 HE2 LYS 96 -9.155 9.877 3.612 814 HE3 LYS 96 HE3 LYS 96 -9.725 10.419 2.048 815 HZ1 LYS 96 HZ1 LYS 96 -8.753 12.195 3.189 816 HZ2 LYS 96 HZ2 LYS 96 -9.785 12.048 4.459 817 HZ3 LYS 96 HZ3 LYS 96 -10.361 12.491 2.982 818 H ASN 97 HN ASN 97 -13.803 6.994 -1.704 819 HA ASN 97 HA ASN 97 -13.842 7.175 -3.940 820 HB2 ASN 97 HB2 ASN 97 -14.310 9.707 -3.438 821 HB3 ASN 97 HB3 ASN 97 -12.632 9.997 -3.821 822 HD21 ASN 97 HD21 ASN 97 -13.025 11.277 -5.640 823 HD22 ASN 97 HD22 ASN 97 -13.790 10.677 -7.087 824 H ILE 98 HN ILE 98 -11.023 7.033 -2.172 825 HA ILE 98 HA ILE 98 -9.212 6.915 -4.489 826 HB ILE 98 HB ILE 98 -8.571 6.291 -1.574 827 HG12 ILE 98 HG12 ILE 98 -7.819 8.894 -2.887 828 HG13 ILE 98 HG13 ILE 98 -9.361 8.757 -2.109 829 HG21 ILE 98 HG21 ILE 98 -6.219 6.634 -2.269 830 HG22 ILE 98 HG22 ILE 98 -6.946 5.280 -3.095 831 HG23 ILE 98 HG23 ILE 98 -6.742 6.806 -3.941 832 HD11 ILE 98 HD11 ILE 98 -7.657 9.713 -0.602 833 HD12 ILE 98 HD12 ILE 98 -8.363 8.240 0.044 834 HD13 ILE 98 HD13 ILE 98 -6.743 8.213 -0.655 835 H LYS 99 HN LYS 99 -9.836 5.128 -5.673 836 HA LYS 99 HA LYS 99 -10.201 2.460 -4.603 837 HB2 LYS 99 HB2 LYS 99 -11.113 3.098 -6.811 838 HB3 LYS 99 HB3 LYS 99 -9.526 3.529 -7.371 839 HG2 LYS 99 HG2 LYS 99 -8.821 1.072 -7.076 840 HG3 LYS 99 HG3 LYS 99 -10.482 0.712 -6.686 841 HD2 LYS 99 HD2 LYS 99 -11.171 1.535 -8.946 842 HD3 LYS 99 HD3 LYS 99 -9.520 1.985 -9.296 843 HE2 LYS 99 HE2 LYS 99 -8.839 -0.453 -9.022 844 HE3 LYS 99 HE3 LYS 99 -10.530 -0.870 -8.798 845 HZ1 LYS 99 HZ1 LYS 99 -9.822 -1.170 -11.043 846 HZ2 LYS 99 HZ2 LYS 99 -9.365 0.408 -11.174 847 HZ3 LYS 99 HZ3 LYS 99 -10.957 0.024 -10.985 848 H SER 100 HN SER 100 -8.694 0.989 -4.095 849 HA SER 100 HA SER 100 -5.819 1.619 -4.510 850 HB2 SER 100 HB2 SER 100 -5.497 0.989 -2.112 851 HB3 SER 100 HB3 SER 100 -6.350 2.503 -2.368 852 HG SER 100 HG SER 100 -7.512 -0.011 -1.766 853 H VAL 101 HN VAL 101 -5.046 0.128 -5.689 854 HA VAL 101 HA VAL 101 -5.803 -2.725 -5.312 855 HB VAL 101 HB VAL 101 -4.468 -1.272 -7.654 856 HG11 VAL 101 HG11 VAL 101 -4.708 -3.431 -8.909 857 HG12 VAL 101 HG12 VAL 101 -3.566 -3.562 -7.593 858 HG13 VAL 101 HG13 VAL 101 -5.186 -4.232 -7.418 859 HG21 VAL 101 HG21 VAL 101 -6.533 -1.829 -8.933 860 HG22 VAL 101 HG22 VAL 101 -7.271 -2.450 -7.458 861 HG23 VAL 101 HG23 VAL 101 -6.859 -0.744 -7.595 862 H THR 102 HN THR 102 -4.224 -4.037 -4.518 863 HA THR 102 HA THR 102 -1.364 -3.149 -4.570 864 HB THR 102 HB THR 102 -2.522 -5.181 -2.590 865 HG1 THR 102 HG1 THR 102 -3.421 -3.163 -2.152 866 HG21 THR 102 HG21 THR 102 -0.081 -5.399 -2.857 867 HG22 THR 102 HG22 THR 102 -0.414 -4.637 -1.318 868 HG23 THR 102 HG23 THR 102 0.134 -3.665 -2.671 869 H GLU 103 HN GLU 103 0.108 -4.813 -5.252 870 HA GLU 103 HA GLU 103 -1.002 -7.445 -5.867 871 HB2 GLU 103 HB2 GLU 103 -1.352 -6.236 -7.956 872 HB3 GLU 103 HB3 GLU 103 0.304 -5.705 -7.985 873 HG2 GLU 103 HG2 GLU 103 1.083 -8.078 -8.270 874 HG3 GLU 103 HG3 GLU 103 -0.566 -8.644 -8.140 875 H LEU 104 HN LEU 104 0.306 -9.027 -5.412 876 HA LEU 104 HA LEU 104 3.162 -8.564 -4.728 877 HB2 LEU 104 HB2 LEU 104 1.933 -9.523 -2.960 878 HB3 LEU 104 HB3 LEU 104 1.016 -10.576 -3.974 879 HG LEU 104 HG LEU 104 2.527 -11.689 -2.485 880 HD11 LEU 104 HD11 LEU 104 2.525 -12.399 -5.335 881 HD12 LEU 104 HD12 LEU 104 2.163 -13.307 -3.905 882 HD13 LEU 104 HD13 LEU 104 3.836 -13.094 -4.395 883 HD21 LEU 104 HD21 LEU 104 4.827 -11.599 -2.389 884 HD22 LEU 104 HD22 LEU 104 4.406 -9.929 -2.664 885 HD23 LEU 104 HD23 LEU 104 5.001 -10.898 -4.000 886 H ASN 105 HN ASN 105 4.742 -9.544 -5.930 887 HA ASN 105 HA ASN 105 4.065 -11.665 -7.869 888 HB2 ASN 105 HB2 ASN 105 5.654 -9.157 -8.648 889 HB3 ASN 105 HB3 ASN 105 5.494 -10.592 -9.624 890 HD21 ASN 105 HD21 ASN 105 3.073 -11.254 -10.133 891 HD22 ASN 105 HD22 ASN 105 2.046 -9.912 -10.562 892 H GLY 106 HN GLY 106 4.905 -12.765 -5.959 893 HA2 GLY 106 HA2 GLY 106 6.517 -14.100 -5.070 894 HA3 GLY 106 HA1 GLY 106 7.650 -13.551 -6.290 895 H ASP 107 HN ASP 107 8.962 -11.735 -5.866 896 HA ASP 107 HA ASP 107 9.304 -10.959 -3.019 897 HB2 ASP 107 HB2 ASP 107 11.551 -10.656 -5.012 898 HB3 ASP 107 HB3 ASP 107 11.615 -10.941 -3.319 899 H ILE 108 HN ILE 108 7.850 -9.671 -5.647 900 HA ILE 108 HA ILE 108 8.854 -6.879 -5.205 901 HB ILE 108 HB ILE 108 7.378 -8.022 -7.623 902 HG12 ILE 108 HG12 ILE 108 9.477 -9.176 -7.642 903 HG13 ILE 108 HG13 ILE 108 9.427 -8.017 -8.922 904 HG21 ILE 108 HG21 ILE 108 8.166 -5.949 -8.793 905 HG22 ILE 108 HG22 ILE 108 7.052 -5.612 -7.490 906 HG23 ILE 108 HG23 ILE 108 8.773 -5.336 -7.260 907 HD11 ILE 108 HD11 ILE 108 11.634 -7.862 -7.993 908 HD12 ILE 108 HD12 ILE 108 10.823 -6.437 -7.361 909 HD13 ILE 108 HD13 ILE 108 11.043 -7.858 -6.341 910 H ILE 109 HN ILE 109 7.301 -5.310 -4.779 911 HA ILE 109 HA ILE 109 4.430 -6.130 -4.596 912 HB ILE 109 HB ILE 109 6.028 -4.327 -2.734 913 HG12 ILE 109 HG12 ILE 109 6.418 -6.655 -2.231 914 HG13 ILE 109 HG13 ILE 109 5.583 -5.842 -0.949 915 HG21 ILE 109 HG21 ILE 109 3.834 -3.268 -2.915 916 HG22 ILE 109 HG22 ILE 109 3.014 -4.809 -2.711 917 HG23 ILE 109 HG23 ILE 109 3.911 -4.092 -1.376 918 HD11 ILE 109 HD11 ILE 109 3.407 -6.917 -1.732 919 HD12 ILE 109 HD12 ILE 109 4.325 -7.748 -2.978 920 HD13 ILE 109 HD13 ILE 109 4.640 -8.086 -1.281 921 H THR 110 HN THR 110 3.134 -4.915 -5.773 922 HA THR 110 HA THR 110 3.950 -2.167 -6.610 923 HB THR 110 HB THR 110 2.163 -4.241 -7.986 924 HG1 THR 110 HG1 THR 110 4.322 -4.526 -8.343 925 HG21 THR 110 HG21 THR 110 1.990 -2.559 -9.881 926 HG22 THR 110 HG22 THR 110 2.638 -1.326 -8.803 927 HG23 THR 110 HG23 THR 110 1.079 -2.078 -8.468 928 H ASN 111 HN ASN 111 2.393 -0.562 -6.364 929 HA ASN 111 HA ASN 111 -0.294 -1.304 -5.488 930 HB2 ASN 111 HB2 ASN 111 1.566 0.657 -4.084 931 HB3 ASN 111 HB3 ASN 111 -0.117 1.093 -4.195 932 HD21 ASN 111 HD21 ASN 111 -1.777 -0.322 -3.307 933 HD22 ASN 111 HD22 ASN 111 -1.365 -1.370 -1.975 934 H THR 112 HN THR 112 -1.884 0.086 -6.313 935 HA THR 112 HA THR 112 -1.130 2.427 -7.926 936 HB THR 112 HB THR 112 -3.022 0.233 -8.935 937 HG1 THR 112 HG1 THR 112 -0.810 -0.167 -9.237 938 HG21 THR 112 HG21 THR 112 -2.306 2.936 -10.204 939 HG22 THR 112 HG22 THR 112 -3.902 2.479 -9.617 940 HG23 THR 112 HG23 THR 112 -3.210 1.654 -11.002 941 H MET 113 HN MET 113 -2.156 4.021 -6.885 942 HA MET 113 HA MET 113 -4.712 3.486 -5.449 943 HB2 MET 113 HB2 MET 113 -2.738 5.618 -4.616 944 HB3 MET 113 HB3 MET 113 -4.051 4.938 -3.733 945 HG2 MET 113 HG2 MET 113 -1.489 3.416 -4.462 946 HG3 MET 113 HG3 MET 113 -1.763 4.228 -2.958 947 HE1 MET 113 HE1 MET 113 -2.587 3.237 -0.919 948 HE2 MET 113 HE2 MET 113 -4.196 3.642 -1.534 949 HE3 MET 113 HE3 MET 113 -3.888 2.052 -0.820 950 H THR 114 HN THR 114 -6.019 4.020 -7.174 951 HA THR 114 HA THR 114 -5.728 6.477 -8.693 952 HB THR 114 HB THR 114 -8.077 4.510 -8.666 953 HG1 THR 114 HG1 THR 114 -5.802 4.365 -10.293 954 HG21 THR 114 HG21 THR 114 -8.324 5.226 -11.055 955 HG22 THR 114 HG22 THR 114 -7.036 6.404 -10.830 956 HG23 THR 114 HG23 THR 114 -8.549 6.579 -9.959 957 H LEU 115 HN LEU 115 -6.519 8.425 -8.005 958 HA LEU 115 HA LEU 115 -9.003 8.513 -6.355 959 HB2 LEU 115 HB2 LEU 115 -7.093 9.061 -4.940 960 HB3 LEU 115 HB3 LEU 115 -6.470 10.195 -6.083 961 HG LEU 115 HG LEU 115 -8.291 11.754 -5.707 962 HD11 LEU 115 HD11 LEU 115 -9.730 9.480 -4.475 963 HD12 LEU 115 HD12 LEU 115 -10.345 10.944 -5.222 964 HD13 LEU 115 HD13 LEU 115 -9.845 10.956 -3.543 965 HD21 LEU 115 HD21 LEU 115 -7.751 11.324 -2.850 966 HD22 LEU 115 HD22 LEU 115 -7.295 12.636 -3.917 967 HD23 LEU 115 HD23 LEU 115 -6.312 11.185 -3.837 968 H GLY 116 HN GLY 116 -10.002 8.415 -8.428 969 HA2 GLY 116 HA2 GLY 116 -11.136 9.330 -10.170 970 HA3 GLY 116 HA1 GLY 116 -10.860 10.908 -9.454 971 H ASP 117 HN ASP 117 -9.582 12.278 -10.568 972 HA ASP 117 HA ASP 117 -8.344 11.585 -13.051 973 HB2 ASP 117 HB2 ASP 117 -9.591 13.783 -12.323 974 HB3 ASP 117 HB3 ASP 117 -8.086 14.216 -11.532 975 H ILE 118 HN ILE 118 -7.135 11.406 -9.832 976 HA ILE 118 HA ILE 118 -4.282 11.729 -10.640 977 HB ILE 118 HB ILE 118 -5.481 11.083 -7.908 978 HG12 ILE 118 HG12 ILE 118 -6.357 13.248 -8.442 979 HG13 ILE 118 HG13 ILE 118 -5.152 13.390 -7.211 980 HG21 ILE 118 HG21 ILE 118 -3.135 10.420 -7.963 981 HG22 ILE 118 HG22 ILE 118 -2.659 11.968 -8.651 982 HG23 ILE 118 HG23 ILE 118 -3.286 11.875 -7.012 983 HD11 ILE 118 HD11 ILE 118 -4.815 14.132 -10.166 984 HD12 ILE 118 HD12 ILE 118 -4.852 15.223 -8.788 985 HD13 ILE 118 HD13 ILE 118 -3.485 14.145 -9.010 986 H VAL 119 HN VAL 119 -2.912 9.927 -10.728 987 HA VAL 119 HA VAL 119 -3.948 7.276 -9.850 988 HB VAL 119 HB VAL 119 -2.473 7.696 -12.494 989 HG11 VAL 119 HG11 VAL 119 -3.076 5.303 -12.898 990 HG12 VAL 119 HG12 VAL 119 -2.054 5.456 -11.486 991 HG13 VAL 119 HG13 VAL 119 -3.783 5.207 -11.290 992 HG21 VAL 119 HG21 VAL 119 -4.567 7.063 -13.658 993 HG22 VAL 119 HG22 VAL 119 -5.444 7.181 -12.141 994 HG23 VAL 119 HG23 VAL 119 -4.704 8.609 -12.851 995 H PHE 120 HN PHE 120 -2.677 7.601 -7.969 996 HA PHE 120 HA PHE 120 0.200 7.894 -8.140 997 HB2 PHE 120 HB2 PHE 120 -1.042 8.605 -6.197 998 HB3 PHE 120 HB3 PHE 120 -1.661 7.021 -5.899 999 HD1 PHE 120 HD1 PHE 120 -0.592 5.783 -4.172 1000 HD2 PHE 120 HD2 PHE 120 1.671 8.754 -6.306 1001 HE1 PHE 120 HE1 PHE 120 1.309 5.433 -2.663 1002 HE2 PHE 120 HE2 PHE 120 3.584 8.338 -4.817 1003 HZ PHE 120 HZ PHE 120 3.393 6.723 -2.972 1004 H LYS 121 HN LYS 121 1.773 6.276 -7.922 1005 HA LYS 121 HA LYS 121 0.961 3.458 -7.944 1006 HB2 LYS 121 HB2 LYS 121 0.984 4.522 -10.327 1007 HB3 LYS 121 HB3 LYS 121 2.705 4.576 -10.207 1008 HG2 LYS 121 HG2 LYS 121 1.076 2.001 -9.845 1009 HG3 LYS 121 HG3 LYS 121 1.440 2.634 -11.416 1010 HD2 LYS 121 HD2 LYS 121 3.940 2.549 -10.748 1011 HD3 LYS 121 HD3 LYS 121 3.433 1.595 -9.375 1012 HE2 LYS 121 HE2 LYS 121 2.427 -0.108 -10.889 1013 HE3 LYS 121 HE3 LYS 121 2.868 0.861 -12.283 1014 HZ1 LYS 121 HZ1 LYS 121 4.760 -0.283 -10.366 1015 HZ2 LYS 121 HZ2 LYS 121 5.157 0.649 -11.666 1016 HZ3 LYS 121 HZ3 LYS 121 4.462 -0.832 -11.891 1017 H ARG 122 HN ARG 122 2.671 2.075 -7.349 1018 HA ARG 122 HA ARG 122 5.106 3.281 -6.181 1019 HB2 ARG 122 HB2 ARG 122 2.627 2.376 -4.796 1020 HB3 ARG 122 HB3 ARG 122 4.052 1.662 -4.110 1021 HG2 ARG 122 HG2 ARG 122 3.856 4.698 -4.546 1022 HG3 ARG 122 HG3 ARG 122 3.112 3.865 -3.217 1023 HD2 ARG 122 HD2 ARG 122 5.970 3.271 -3.623 1024 HD3 ARG 122 HD3 ARG 122 5.618 4.810 -2.883 1025 HE ARG 122 HE ARG 122 5.298 2.028 -1.920 1026 HH11 ARG 122 HH11 ARG 122 4.264 5.374 -1.292 1027 HH12 ARG 122 HH12 ARG 122 3.747 5.043 0.339 1028 HH21 ARG 122 HH21 ARG 122 4.630 1.620 0.230 1029 HH22 ARG 122 HH22 ARG 122 3.967 2.898 1.207 1030 H ILE 123 HN ILE 123 6.753 1.847 -5.891 1031 HA ILE 123 HA ILE 123 6.347 -1.034 -6.454 1032 HB ILE 123 HB ILE 123 8.680 0.621 -7.561 1033 HG12 ILE 123 HG12 ILE 123 7.660 -0.277 -9.832 1034 HG13 ILE 123 HG13 ILE 123 6.173 -0.377 -8.945 1035 HG21 ILE 123 HG21 ILE 123 9.365 -1.699 -7.028 1036 HG22 ILE 123 HG22 ILE 123 7.995 -2.332 -7.934 1037 HG23 ILE 123 HG23 ILE 123 9.299 -1.479 -8.755 1038 HD11 ILE 123 HD11 ILE 123 7.218 1.885 -10.292 1039 HD12 ILE 123 HD12 ILE 123 5.873 1.920 -9.167 1040 HD13 ILE 123 HD13 ILE 123 7.493 2.280 -8.606 1041 H SER 124 HN SER 124 7.379 -2.263 -4.982 1042 HA SER 124 HA SER 124 9.671 -1.245 -3.419 1043 HB2 SER 124 HB2 SER 124 7.125 -2.510 -2.249 1044 HB3 SER 124 HB3 SER 124 8.630 -2.324 -1.367 1045 HG SER 124 HG SER 124 7.126 -0.234 -2.507 1046 H LYS 125 HN LYS 125 10.966 -3.007 -2.535 1047 HA LYS 125 HA LYS 125 10.705 -5.623 -3.948 1048 HB2 LYS 125 HB2 LYS 125 12.051 -3.898 -5.236 1049 HB3 LYS 125 HB3 LYS 125 13.168 -3.807 -3.895 1050 HG2 LYS 125 HG2 LYS 125 13.717 -6.249 -4.271 1051 HG3 LYS 125 HG3 LYS 125 12.570 -6.275 -5.584 1052 HD2 LYS 125 HD2 LYS 125 13.953 -4.292 -6.602 1053 HD3 LYS 125 HD3 LYS 125 15.160 -4.686 -5.407 1054 HE2 LYS 125 HE2 LYS 125 15.275 -7.042 -6.339 1055 HE3 LYS 125 HE3 LYS 125 14.120 -6.581 -7.579 1056 HZ1 LYS 125 HZ1 LYS 125 16.354 -6.417 -8.353 1057 HZ2 LYS 125 HZ2 LYS 125 16.756 -5.360 -7.154 1058 HZ3 LYS 125 HZ3 LYS 125 15.677 -4.915 -8.318 1059 H ARG 126 HN ARG 126 11.525 -7.360 -2.790 1060 HA ARG 126 HA ARG 126 11.399 -7.072 -0.046 1061 HB2 ARG 126 HB2 ARG 126 10.891 -9.153 -1.482 1062 HB3 ARG 126 HB3 ARG 126 12.594 -9.488 -1.422 1063 HG2 ARG 126 HG2 ARG 126 12.290 -9.383 1.231 1064 HG3 ARG 126 HG3 ARG 126 10.597 -9.316 0.860 1065 HD2 ARG 126 HD2 ARG 126 12.349 -11.514 -0.210 1066 HD3 ARG 126 HD3 ARG 126 11.720 -11.662 1.409 1067 HE ARG 126 HE ARG 126 9.529 -11.121 -0.284 1068 HH11 ARG 126 HH11 ARG 126 12.071 -13.615 -0.121 1069 HH12 ARG 126 HH12 ARG 126 11.114 -14.808 -0.956 1070 HH21 ARG 126 HH21 ARG 126 8.303 -12.730 -1.395 1071 HH22 ARG 126 HH22 ARG 126 8.955 -14.330 -1.592 1072 H ILE 127 HN ILE 127 12.759 -7.010 1.643 1073 HA ILE 127 HA ILE 127 15.726 -6.948 1.219 1074 HB ILE 127 HB ILE 127 15.792 -5.403 3.159 1075 HG12 ILE 127 HG12 ILE 127 12.798 -4.975 2.804 1076 HG13 ILE 127 HG13 ILE 127 13.461 -5.952 4.078 1077 HG21 ILE 127 HG21 ILE 127 14.227 -4.225 0.827 1078 HG22 ILE 127 HG22 ILE 127 15.321 -3.374 1.923 1079 HG23 ILE 127 HG23 ILE 127 15.952 -4.572 0.813 1080 HD11 ILE 127 HD11 ILE 127 13.387 -4.011 5.285 1081 HD12 ILE 127 HD12 ILE 127 14.901 -3.620 4.480 1082 HD13 ILE 127 HD13 ILE 127 13.379 -2.992 3.854 Start of MODEL 3 1 H1 HIS -7 HN HIS -7 -2.950 -27.555 8.634 2 HA HIS -7 HA HIS -7 -3.036 -25.618 6.905 3 HB2 HIS -7 HB2 HIS -7 -1.150 -26.812 5.542 4 HB3 HIS -7 HB3 HIS -7 -0.881 -26.941 7.247 5 HD1 HIS -7 HD1 HIS -7 -1.984 -29.062 4.283 6 HD2 HIS -7 HD2 HIS -7 -0.701 -29.601 8.270 7 HE1 HIS -7 HE1 HIS -7 -1.565 -31.526 4.665 8 H HIS -6 HN HIS -6 -3.568 -25.048 4.849 9 HA HIS -6 HA HIS -6 -5.852 -26.578 3.808 10 HB2 HIS -6 HB2 HIS -6 -5.771 -24.042 4.529 11 HB3 HIS -6 HB3 HIS -6 -5.015 -23.768 2.987 12 HD1 HIS -6 HD1 HIS -6 -6.582 -23.900 0.877 13 HD2 HIS -6 HD2 HIS -6 -8.552 -24.859 4.484 14 HE1 HIS -6 HE1 HIS -6 -9.072 -23.952 0.438 15 H HIS -5 HN HIS -5 -6.114 -27.083 1.647 16 HA HIS -5 HA HIS -5 -5.673 -27.871 -0.309 17 HB2 HIS -5 HB2 HIS -5 -4.474 -25.369 -0.449 18 HB3 HIS -5 HB3 HIS -5 -3.133 -26.370 -0.910 19 HD1 HIS -5 HD1 HIS -5 -4.359 -24.357 -2.852 20 HD2 HIS -5 HD2 HIS -5 -5.624 -28.380 -2.735 21 HE1 HIS -5 HE1 HIS -5 -5.459 -24.915 -5.062 22 H HIS -4 HN HIS -4 -3.614 -28.850 -1.779 23 HA HIS -4 HA HIS -4 -2.410 -30.876 0.070 24 HB2 HIS -4 HB2 HIS -4 -3.374 -31.218 -2.795 25 HB3 HIS -4 HB3 HIS -4 -2.758 -32.477 -1.755 26 HD1 HIS -4 HD1 HIS -4 -4.415 -31.767 0.864 27 HD2 HIS -4 HD2 HIS -4 -6.074 -31.997 -3.007 28 HE1 HIS -4 HE1 HIS -4 -6.902 -32.164 1.085 29 H HIS -3 HN HIS -3 -1.561 -28.386 -2.090 30 HA HIS -3 HA HIS -3 1.258 -29.364 -2.156 31 HB2 HIS -3 HB2 HIS -3 -0.084 -27.451 -4.142 32 HB3 HIS -3 HB3 HIS -3 1.574 -27.979 -4.173 33 HD1 HIS -3 HD1 HIS -3 -1.940 -29.187 -4.910 34 HD2 HIS -3 HD2 HIS -3 2.031 -30.474 -5.519 35 HE1 HIS -3 HE1 HIS -3 -1.973 -31.146 -6.512 36 H HIS -2 HN HIS -2 2.799 -27.698 -1.670 37 HA HIS -2 HA HIS -2 1.934 -25.509 0.023 38 HB2 HIS -2 HB2 HIS -2 4.611 -26.294 -1.231 39 HB3 HIS -2 HB3 HIS -2 4.415 -24.852 -0.272 40 HD1 HIS -2 HD1 HIS -2 5.892 -27.873 0.255 41 HD2 HIS -2 HD2 HIS -2 2.855 -25.899 2.418 42 HE1 HIS -2 HE1 HIS -2 5.877 -28.777 2.618 43 H VAL -1 HN VAL -1 1.608 -23.425 -0.458 44 HA VAL -1 HA VAL -1 2.001 -22.440 -3.246 45 HB VAL -1 HB VAL -1 0.599 -20.554 -2.586 46 HG11 VAL -1 HG11 VAL -1 -0.829 -23.199 -2.117 47 HG12 VAL -1 HG12 VAL -1 -1.577 -21.680 -2.597 48 HG13 VAL -1 HG13 VAL -1 -0.455 -22.484 -3.683 49 HG21 VAL -1 HG21 VAL -1 0.146 -21.901 0.112 50 HG22 VAL -1 HG22 VAL -1 0.892 -20.328 -0.167 51 HG23 VAL -1 HG23 VAL -1 -0.804 -20.566 -0.523 52 H ALA 0 HN ALA 0 3.321 -20.692 -3.581 53 HA ALA 0 HA ALA 0 4.974 -19.670 -1.312 54 HB1 ALA 0 HB1 ALA 0 6.196 -21.444 -2.582 55 HB2 ALA 0 HB2 ALA 0 5.957 -20.545 -4.077 56 HB3 ALA 0 HB3 ALA 0 6.950 -19.872 -2.785 57 H MET 1 HN MET 1 2.558 -18.571 -2.684 58 HA MET 1 HA MET 1 3.704 -15.919 -3.423 59 HB2 MET 1 HB2 MET 1 1.335 -17.331 -4.726 60 HB3 MET 1 HB3 MET 1 1.736 -15.660 -4.960 61 HG2 MET 1 HG2 MET 1 4.172 -16.968 -5.550 62 HG3 MET 1 HG3 MET 1 2.973 -18.084 -6.137 63 HE1 MET 1 HE1 MET 1 3.724 -13.756 -7.601 64 HE2 MET 1 HE2 MET 1 2.990 -14.047 -6.023 65 HE3 MET 1 HE3 MET 1 4.638 -14.603 -6.343 66 H SER 2 HN SER 2 3.571 -16.027 -1.008 67 HA SER 2 HA SER 2 0.916 -15.048 -0.051 68 HB2 SER 2 HB2 SER 2 3.230 -16.464 1.395 69 HB3 SER 2 HB3 SER 2 1.928 -15.643 2.237 70 HG SER 2 HG SER 2 0.449 -17.015 1.301 71 H PHE 3 HN PHE 3 0.845 -12.981 0.616 72 HA PHE 3 HA PHE 3 2.767 -11.132 -0.225 73 HB2 PHE 3 HB2 PHE 3 0.466 -10.835 1.759 74 HB3 PHE 3 HB3 PHE 3 1.380 -9.503 1.111 75 HD1 PHE 3 HD1 PHE 3 0.886 -8.476 -0.958 76 HD2 PHE 3 HD2 PHE 3 -0.894 -12.284 0.054 77 HE1 PHE 3 HE1 PHE 3 -0.692 -8.272 -2.841 78 HE2 PHE 3 HE2 PHE 3 -2.439 -12.044 -1.838 79 HZ PHE 3 HZ PHE 3 -2.384 -10.018 -3.225 80 H SER 4 HN SER 4 2.644 -12.804 2.835 81 HA SER 4 HA SER 4 3.665 -11.023 4.635 82 HB2 SER 4 HB2 SER 4 4.274 -13.063 5.927 83 HB3 SER 4 HB3 SER 4 2.674 -13.154 5.233 84 HG SER 4 HG SER 4 5.020 -14.326 4.149 85 H GLY 5 HN GLY 5 5.538 -9.995 4.982 86 HA2 GLY 5 HA2 GLY 5 8.086 -10.684 5.152 87 HA3 GLY 5 HA1 GLY 5 7.963 -10.642 3.394 88 H LYS 6 HN LYS 6 9.719 -8.926 4.397 89 HA LYS 6 HA LYS 6 8.499 -6.225 4.471 90 HB2 LYS 6 HB2 LYS 6 11.265 -7.309 5.182 91 HB3 LYS 6 HB3 LYS 6 11.034 -5.642 4.747 92 HG2 LYS 6 HG2 LYS 6 9.230 -5.429 6.495 93 HG3 LYS 6 HG3 LYS 6 9.747 -6.973 7.128 94 HD2 LYS 6 HD2 LYS 6 12.045 -6.068 7.477 95 HD3 LYS 6 HD3 LYS 6 11.596 -4.560 6.719 96 HE2 LYS 6 HE2 LYS 6 9.891 -4.169 8.542 97 HE3 LYS 6 HE3 LYS 6 10.440 -5.641 9.335 98 HZ1 LYS 6 HZ1 LYS 6 11.467 -3.710 10.227 99 HZ2 LYS 6 HZ2 LYS 6 12.085 -3.280 8.759 100 HZ3 LYS 6 HZ3 LYS 6 12.611 -4.655 9.508 101 H TYR 7 HN TYR 7 8.874 -4.700 2.958 102 HA TYR 7 HA TYR 7 10.548 -5.263 0.598 103 HB2 TYR 7 HB2 TYR 7 7.643 -4.343 0.299 104 HB3 TYR 7 HB3 TYR 7 8.753 -4.777 -0.968 105 HD1 TYR 7 HD1 TYR 7 6.429 -5.975 1.616 106 HD2 TYR 7 HD2 TYR 7 9.202 -7.195 -1.459 107 HE1 TYR 7 HE1 TYR 7 5.584 -8.279 1.771 108 HE2 TYR 7 HE2 TYR 7 8.354 -9.517 -1.303 109 HH TYR 7 HH TYR 7 5.727 -10.435 0.964 110 H GLN 8 HN GLN 8 11.883 -3.512 0.501 111 HA GLN 8 HA GLN 8 11.205 -0.956 1.692 112 HB2 GLN 8 HB2 GLN 8 13.497 -1.885 1.627 113 HB3 GLN 8 HB3 GLN 8 13.493 -1.796 -0.117 114 HG2 GLN 8 HG2 GLN 8 13.084 0.819 0.275 115 HG3 GLN 8 HG3 GLN 8 13.544 0.486 1.918 116 HE21 GLN 8 HE21 GLN 8 14.635 1.338 -1.158 117 HE22 GLN 8 HE22 GLN 8 16.333 0.990 -0.955 118 H LEU 9 HN LEU 9 10.649 0.965 0.613 119 HA LEU 9 HA LEU 9 9.290 0.924 -1.876 120 HB2 LEU 9 HB2 LEU 9 8.924 2.526 -0.003 121 HB3 LEU 9 HB3 LEU 9 10.477 3.247 -0.271 122 HG LEU 9 HG LEU 9 8.510 4.499 -1.093 123 HD11 LEU 9 HD11 LEU 9 9.890 4.329 -3.676 124 HD12 LEU 9 HD12 LEU 9 11.004 4.421 -2.317 125 HD13 LEU 9 HD13 LEU 9 9.771 5.645 -2.524 126 HD21 LEU 9 HD21 LEU 9 7.034 3.871 -2.721 127 HD22 LEU 9 HD22 LEU 9 7.399 2.279 -2.081 128 HD23 LEU 9 HD23 LEU 9 8.171 2.829 -3.559 129 H GLN 10 HN GLN 10 9.984 1.035 -3.902 130 HA GLN 10 HA GLN 10 12.908 1.258 -4.396 131 HB2 GLN 10 HB2 GLN 10 11.085 -0.827 -4.885 132 HB3 GLN 10 HB3 GLN 10 11.051 -0.008 -6.398 133 HG2 GLN 10 HG2 GLN 10 12.713 -1.765 -6.486 134 HG3 GLN 10 HG3 GLN 10 13.548 -0.234 -6.577 135 HE21 GLN 10 HE21 GLN 10 12.393 -1.100 -3.334 136 HE22 GLN 10 HE22 GLN 10 13.931 -1.660 -2.739 137 H SER 11 HN SER 11 9.686 2.307 -5.593 138 HA SER 11 HA SER 11 10.727 4.766 -6.608 139 HB2 SER 11 HB2 SER 11 11.456 3.213 -8.482 140 HB3 SER 11 HB3 SER 11 9.804 2.680 -8.671 141 HG SER 11 HG SER 11 10.933 5.220 -9.174 142 H GLN 12 HN GLN 12 8.940 6.065 -7.634 143 HA GLN 12 HA GLN 12 6.240 5.219 -7.342 144 HB2 GLN 12 HB2 GLN 12 5.551 6.848 -5.600 145 HB3 GLN 12 HB3 GLN 12 6.637 5.649 -4.974 146 HG2 GLN 12 HG2 GLN 12 8.550 7.398 -5.320 147 HG3 GLN 12 HG3 GLN 12 7.293 8.574 -5.637 148 HE21 GLN 12 HE21 GLN 12 8.998 9.108 -3.604 149 HE22 GLN 12 HE22 GLN 12 8.232 8.872 -2.057 150 H GLU 13 HN GLU 13 4.697 6.850 -8.026 151 HA GLU 13 HA GLU 13 5.765 9.012 -9.712 152 HB2 GLU 13 HB2 GLU 13 6.007 6.859 -10.973 153 HB3 GLU 13 HB3 GLU 13 4.305 6.553 -10.779 154 HG2 GLU 13 HG2 GLU 13 3.741 8.511 -12.192 155 HG3 GLU 13 HG3 GLU 13 5.422 8.993 -12.247 156 H ASN 14 HN ASN 14 4.353 10.623 -9.981 157 HA ASN 14 HA ASN 14 2.793 12.057 -9.460 158 HB2 ASN 14 HB2 ASN 14 0.871 9.687 -9.634 159 HB3 ASN 14 HB3 ASN 14 0.342 11.347 -9.523 160 HD21 ASN 14 HD21 ASN 14 -0.559 9.848 -11.582 161 HD22 ASN 14 HD22 ASN 14 0.134 10.427 -13.082 162 H PHE 15 HN PHE 15 4.283 10.825 -7.313 163 HA PHE 15 HA PHE 15 2.704 10.392 -5.010 164 HB2 PHE 15 HB2 PHE 15 4.965 9.596 -5.074 165 HB3 PHE 15 HB3 PHE 15 5.613 11.167 -5.397 166 HD1 PHE 15 HD1 PHE 15 4.298 8.916 -2.782 167 HD2 PHE 15 HD2 PHE 15 5.751 12.900 -3.558 168 HE1 PHE 15 HE1 PHE 15 4.598 9.295 -0.372 169 HE2 PHE 15 HE2 PHE 15 5.969 13.262 -1.136 170 HZ PHE 15 HZ PHE 15 5.431 11.465 0.451 171 H GLU 16 HN GLU 16 4.366 13.407 -6.091 172 HA GLU 16 HA GLU 16 3.519 14.941 -3.943 173 HB2 GLU 16 HB2 GLU 16 4.081 16.103 -6.704 174 HB3 GLU 16 HB3 GLU 16 4.253 16.883 -5.169 175 HG2 GLU 16 HG2 GLU 16 6.467 16.430 -5.702 176 HG3 GLU 16 HG3 GLU 16 6.106 15.100 -4.636 177 H ALA 17 HN ALA 17 1.873 14.404 -7.043 178 HA ALA 17 HA ALA 17 -0.213 16.315 -6.709 179 HB1 ALA 17 HB1 ALA 17 -0.087 13.736 -8.363 180 HB2 ALA 17 HB2 ALA 17 -1.300 15.000 -8.541 181 HB3 ALA 17 HB3 ALA 17 0.384 15.344 -8.906 182 H PHE 18 HN PHE 18 0.035 12.817 -5.869 183 HA PHE 18 HA PHE 18 -2.667 12.631 -4.890 184 HB2 PHE 18 HB2 PHE 18 -1.571 10.747 -5.883 185 HB3 PHE 18 HB3 PHE 18 -0.274 10.764 -4.724 186 HD1 PHE 18 HD1 PHE 18 -3.952 10.164 -5.137 187 HD2 PHE 18 HD2 PHE 18 -0.551 9.745 -2.526 188 HE1 PHE 18 HE1 PHE 18 -5.279 8.774 -3.590 189 HE2 PHE 18 HE2 PHE 18 -1.912 8.374 -0.992 190 HZ PHE 18 HZ PHE 18 -4.263 7.886 -1.534 191 H MET 19 HN MET 19 0.505 12.980 -3.287 192 HA MET 19 HA MET 19 -0.477 12.796 -0.645 193 HB2 MET 19 HB2 MET 19 1.893 12.441 -1.643 194 HB3 MET 19 HB3 MET 19 2.096 14.143 -1.515 195 HG2 MET 19 HG2 MET 19 3.083 13.059 0.402 196 HG3 MET 19 HG3 MET 19 1.683 13.899 0.999 197 HE1 MET 19 HE1 MET 19 0.497 10.603 -0.809 198 HE2 MET 19 HE2 MET 19 2.227 10.268 -0.709 199 HE3 MET 19 HE3 MET 19 1.085 9.339 0.269 200 H LYS 20 HN LYS 20 -0.416 15.483 -2.938 201 HA LYS 20 HA LYS 20 -1.120 17.507 -0.935 202 HB2 LYS 20 HB2 LYS 20 0.142 18.026 -3.074 203 HB3 LYS 20 HB3 LYS 20 -1.285 17.595 -3.976 204 HG2 LYS 20 HG2 LYS 20 -2.435 19.475 -2.391 205 HG3 LYS 20 HG3 LYS 20 -0.792 19.968 -2.145 206 HD2 LYS 20 HD2 LYS 20 -2.238 19.767 -4.826 207 HD3 LYS 20 HD3 LYS 20 -1.944 21.234 -3.935 208 HE2 LYS 20 HE2 LYS 20 0.551 20.863 -4.198 209 HE3 LYS 20 HE3 LYS 20 0.216 19.452 -5.184 210 HZ1 LYS 20 HZ1 LYS 20 0.585 21.384 -6.499 211 HZ2 LYS 20 HZ2 LYS 20 -0.649 22.194 -5.767 212 HZ3 LYS 20 HZ3 LYS 20 -0.971 20.874 -6.705 213 H ALA 21 HN ALA 21 -2.790 15.445 -3.389 214 HA ALA 21 HA ALA 21 -5.330 16.630 -3.178 215 HB1 ALA 21 HB1 ALA 21 -4.561 13.814 -4.091 216 HB2 ALA 21 HB2 ALA 21 -6.105 14.598 -4.399 217 HB3 ALA 21 HB3 ALA 21 -4.641 15.256 -5.102 218 H ILE 22 HN ILE 22 -3.871 14.068 -1.184 219 HA ILE 22 HA ILE 22 -6.328 13.452 0.250 220 HB ILE 22 HB ILE 22 -4.820 12.276 1.823 221 HG12 ILE 22 HG12 ILE 22 -2.514 13.018 0.016 222 HG13 ILE 22 HG13 ILE 22 -2.793 13.832 1.514 223 HG21 ILE 22 HG21 ILE 22 -4.299 11.500 -1.077 224 HG22 ILE 22 HG22 ILE 22 -4.181 10.447 0.328 225 HG23 ILE 22 HG23 ILE 22 -5.737 11.100 -0.149 226 HD11 ILE 22 HD11 ILE 22 -1.179 12.234 2.052 227 HD12 ILE 22 HD12 ILE 22 -2.670 11.582 2.693 228 HD13 ILE 22 HD13 ILE 22 -1.992 10.937 1.181 229 H GLY 23 HN GLY 23 -3.962 16.014 0.449 230 HA2 GLY 23 HA2 GLY 23 -4.298 17.952 1.660 231 HA3 GLY 23 HA1 GLY 23 -5.351 17.148 2.796 232 H LEU 24 HN LEU 24 -2.109 15.717 2.038 233 HA LEU 24 HA LEU 24 -1.167 16.306 4.737 234 HB2 LEU 24 HB2 LEU 24 -0.300 14.534 2.500 235 HB3 LEU 24 HB3 LEU 24 1.025 15.355 3.256 236 HG LEU 24 HG LEU 24 0.243 14.555 5.483 237 HD11 LEU 24 HD11 LEU 24 -1.378 12.301 4.782 238 HD12 LEU 24 HD12 LEU 24 -2.119 13.702 4.046 239 HD13 LEU 24 HD13 LEU 24 -1.796 13.688 5.769 240 HD21 LEU 24 HD21 LEU 24 1.819 13.236 3.634 241 HD22 LEU 24 HD22 LEU 24 0.701 11.976 4.122 242 HD23 LEU 24 HD23 LEU 24 1.653 12.822 5.326 243 HA PRO 25 HA PRO 25 0.610 20.240 3.703 244 HB2 PRO 25 HB2 PRO 25 2.678 20.442 5.528 245 HB3 PRO 25 HB3 PRO 25 0.980 20.501 5.973 246 HG2 PRO 25 HG2 PRO 25 2.808 18.093 6.034 247 HG3 PRO 25 HG3 PRO 25 1.795 18.679 7.352 248 HD2 PRO 25 HD2 PRO 25 0.953 16.677 5.742 249 HD3 PRO 25 HD3 PRO 25 -0.210 17.918 6.233 250 H GLU 26 HN GLU 26 2.039 21.090 2.242 251 HA GLU 26 HA GLU 26 3.434 19.288 0.636 252 HB2 GLU 26 HB2 GLU 26 2.224 21.282 -0.121 253 HB3 GLU 26 HB3 GLU 26 3.447 22.315 0.563 254 HG2 GLU 26 HG2 GLU 26 5.144 21.457 -1.033 255 HG3 GLU 26 HG3 GLU 26 4.030 20.244 -1.623 256 H GLU 27 HN GLU 27 4.692 20.988 3.394 257 HA GLU 27 HA GLU 27 7.479 20.744 2.865 258 HB2 GLU 27 HB2 GLU 27 6.610 22.112 4.681 259 HB3 GLU 27 HB3 GLU 27 5.786 20.768 5.400 260 HG2 GLU 27 HG2 GLU 27 7.690 21.258 6.759 261 HG3 GLU 27 HG3 GLU 27 8.023 19.730 6.009 262 H LEU 28 HN LEU 28 5.121 18.509 4.404 263 HA LEU 28 HA LEU 28 6.976 16.354 4.743 264 HB2 LEU 28 HB2 LEU 28 4.914 16.891 6.138 265 HB3 LEU 28 HB3 LEU 28 3.924 16.363 4.807 266 HG LEU 28 HG LEU 28 4.839 14.074 5.018 267 HD11 LEU 28 HD11 LEU 28 6.858 13.750 6.005 268 HD12 LEU 28 HD12 LEU 28 6.076 13.971 7.557 269 HD13 LEU 28 HD13 LEU 28 6.851 15.331 6.776 270 HD21 LEU 28 HD21 LEU 28 3.450 13.446 6.755 271 HD22 LEU 28 HD22 LEU 28 2.836 15.062 6.430 272 HD23 LEU 28 HD23 LEU 28 3.909 14.789 7.794 273 H ILE 29 HN ILE 29 5.206 17.470 1.968 274 HA ILE 29 HA ILE 29 5.304 14.936 0.519 275 HB ILE 29 HB ILE 29 4.896 17.786 -0.493 276 HG12 ILE 29 HG12 ILE 29 2.896 15.568 -0.010 277 HG13 ILE 29 HG13 ILE 29 3.064 16.956 0.998 278 HG21 ILE 29 HG21 ILE 29 5.782 16.431 -2.360 279 HG22 ILE 29 HG22 ILE 29 4.606 15.168 -2.011 280 HG23 ILE 29 HG23 ILE 29 4.095 16.748 -2.613 281 HD11 ILE 29 HD11 ILE 29 1.852 16.781 -1.748 282 HD12 ILE 29 HD12 ILE 29 1.282 17.650 -0.326 283 HD13 ILE 29 HD13 ILE 29 2.592 18.307 -1.297 284 H GLN 30 HN GLN 30 7.167 18.062 0.486 285 HA GLN 30 HA GLN 30 9.077 17.192 -1.418 286 HB2 GLN 30 HB2 GLN 30 9.190 19.409 0.689 287 HB3 GLN 30 HB3 GLN 30 10.401 19.194 -0.534 288 HG2 GLN 30 HG2 GLN 30 7.505 20.016 -0.975 289 HG3 GLN 30 HG3 GLN 30 8.931 20.960 -1.258 290 HE21 GLN 30 HE21 GLN 30 6.517 19.472 -2.853 291 HE22 GLN 30 HE22 GLN 30 7.336 19.000 -4.317 292 H LYS 31 HN LYS 31 9.020 16.825 2.093 293 HA LYS 31 HA LYS 31 11.715 15.697 2.206 294 HB2 LYS 31 HB2 LYS 31 9.475 15.975 4.257 295 HB3 LYS 31 HB3 LYS 31 11.035 15.271 4.601 296 HG2 LYS 31 HG2 LYS 31 12.183 17.388 4.006 297 HG3 LYS 31 HG3 LYS 31 10.679 18.119 3.547 298 HD2 LYS 31 HD2 LYS 31 11.185 18.967 5.694 299 HD3 LYS 31 HD3 LYS 31 9.842 17.879 5.904 300 HE2 LYS 31 HE2 LYS 31 11.365 16.114 6.798 301 HE3 LYS 31 HE3 LYS 31 12.761 17.129 6.467 302 HZ1 LYS 31 HZ1 LYS 31 12.101 17.271 8.733 303 HZ2 LYS 31 HZ2 LYS 31 10.589 17.786 8.321 304 HZ3 LYS 31 HZ3 LYS 31 11.897 18.736 8.001 305 H GLY 32 HN GLY 32 8.318 14.474 2.259 306 HA2 GLY 32 HA2 GLY 32 8.950 11.780 2.936 307 HA3 GLY 32 HA1 GLY 32 7.445 12.374 2.267 308 H LYS 33 HN LYS 33 8.883 13.463 -0.240 309 HA LYS 33 HA LYS 33 8.821 11.038 -1.806 310 HB2 LYS 33 HB2 LYS 33 8.954 12.422 -3.681 311 HB3 LYS 33 HB3 LYS 33 7.990 13.312 -2.550 312 HG2 LYS 33 HG2 LYS 33 10.138 14.622 -1.958 313 HG3 LYS 33 HG3 LYS 33 10.899 13.811 -3.306 314 HD2 LYS 33 HD2 LYS 33 8.848 14.712 -4.713 315 HD3 LYS 33 HD3 LYS 33 8.607 15.800 -3.377 316 HE2 LYS 33 HE2 LYS 33 11.135 15.569 -5.084 317 HE3 LYS 33 HE3 LYS 33 9.980 16.887 -5.123 318 HZ1 LYS 33 HZ1 LYS 33 11.596 16.166 -2.775 319 HZ2 LYS 33 HZ2 LYS 33 10.594 17.470 -2.924 320 HZ3 LYS 33 HZ3 LYS 33 11.950 17.372 -3.844 321 H ASP 34 HN ASP 34 11.342 12.968 -0.285 322 HA ASP 34 HA ASP 34 13.574 11.782 -1.696 323 HB2 ASP 34 HB2 ASP 34 13.765 14.088 -0.852 324 HB3 ASP 34 HB3 ASP 34 13.385 13.592 0.753 325 H ILE 35 HN ILE 35 12.028 11.394 1.526 326 HA ILE 35 HA ILE 35 13.836 9.491 2.564 327 HB ILE 35 HB ILE 35 10.949 10.152 3.232 328 HG12 ILE 35 HG12 ILE 35 12.722 11.908 3.663 329 HG13 ILE 35 HG13 ILE 35 11.701 11.473 4.993 330 HG21 ILE 35 HG21 ILE 35 11.125 7.891 4.099 331 HG22 ILE 35 HG22 ILE 35 12.714 8.209 4.783 332 HG23 ILE 35 HG23 ILE 35 11.286 8.982 5.455 333 HD11 ILE 35 HD11 ILE 35 14.274 11.758 5.396 334 HD12 ILE 35 HD12 ILE 35 13.467 10.399 6.166 335 HD13 ILE 35 HD13 ILE 35 14.432 10.148 4.714 336 H LYS 36 HN LYS 36 14.279 7.599 1.650 337 HA LYS 36 HA LYS 36 12.407 6.008 0.131 338 HB2 LYS 36 HB2 LYS 36 15.252 5.562 1.135 339 HB3 LYS 36 HB3 LYS 36 14.360 4.333 0.289 340 HG2 LYS 36 HG2 LYS 36 14.758 5.220 -1.727 341 HG3 LYS 36 HG3 LYS 36 14.071 6.742 -1.273 342 HD2 LYS 36 HD2 LYS 36 16.257 7.245 -1.979 343 HD3 LYS 36 HD3 LYS 36 16.275 7.420 -0.249 344 HE2 LYS 36 HE2 LYS 36 17.389 5.194 0.003 345 HE3 LYS 36 HE3 LYS 36 17.280 4.930 -1.729 346 HZ1 LYS 36 HZ1 LYS 36 18.774 7.099 -0.444 347 HZ2 LYS 36 HZ2 LYS 36 18.665 6.841 -2.067 348 HZ3 LYS 36 HZ3 LYS 36 19.416 5.733 -1.105 349 H GLY 37 HN GLY 37 10.722 5.255 1.148 350 HA2 GLY 37 HA2 GLY 37 10.613 4.611 3.955 351 HA3 GLY 37 HA1 GLY 37 9.337 4.484 2.754 352 H VAL 38 HN VAL 38 9.206 2.585 4.465 353 HA VAL 38 HA VAL 38 10.087 0.125 3.086 354 HB VAL 38 HB VAL 38 10.250 0.651 6.098 355 HG11 VAL 38 HG11 VAL 38 9.491 -1.653 5.902 356 HG12 VAL 38 HG12 VAL 38 10.661 -1.990 4.625 357 HG13 VAL 38 HG13 VAL 38 11.195 -1.699 6.275 358 HG21 VAL 38 HG21 VAL 38 12.678 0.115 5.875 359 HG22 VAL 38 HG22 VAL 38 12.489 0.031 4.126 360 HG23 VAL 38 HG23 VAL 38 12.240 1.553 4.978 361 H SER 39 HN SER 39 8.599 -1.509 3.114 362 HA SER 39 HA SER 39 6.040 -1.102 4.574 363 HB2 SER 39 HB2 SER 39 5.749 -0.938 2.096 364 HB3 SER 39 HB3 SER 39 6.533 -2.490 1.880 365 HG SER 39 HG SER 39 4.272 -2.644 1.880 366 H GLU 40 HN GLU 40 5.195 -2.912 5.580 367 HA GLU 40 HA GLU 40 6.628 -5.473 5.469 368 HB2 GLU 40 HB2 GLU 40 7.532 -4.347 7.494 369 HB3 GLU 40 HB3 GLU 40 5.936 -4.067 8.091 370 HG2 GLU 40 HG2 GLU 40 5.528 -6.580 8.175 371 HG3 GLU 40 HG3 GLU 40 7.177 -6.828 7.653 372 H ILE 41 HN ILE 41 5.157 -6.919 4.871 373 HA ILE 41 HA ILE 41 2.272 -6.403 5.483 374 HB ILE 41 HB ILE 41 3.469 -8.060 3.231 375 HG12 ILE 41 HG12 ILE 41 2.127 -5.351 2.921 376 HG13 ILE 41 HG13 ILE 41 3.852 -5.537 2.947 377 HG21 ILE 41 HG21 ILE 41 1.010 -7.848 2.358 378 HG22 ILE 41 HG22 ILE 41 1.265 -8.941 3.706 379 HG23 ILE 41 HG23 ILE 41 0.596 -7.329 3.959 380 HD11 ILE 41 HD11 ILE 41 3.502 -5.564 0.665 381 HD12 ILE 41 HD12 ILE 41 3.489 -7.292 0.985 382 HD13 ILE 41 HD13 ILE 41 1.977 -6.428 0.765 383 H VAL 42 HN VAL 42 1.076 -8.150 6.265 384 HA VAL 42 HA VAL 42 2.487 -10.682 6.972 385 HB VAL 42 HB VAL 42 0.501 -9.201 8.770 386 HG11 VAL 42 HG11 VAL 42 0.474 -11.642 9.137 387 HG12 VAL 42 HG12 VAL 42 2.218 -11.651 9.352 388 HG13 VAL 42 HG13 VAL 42 1.183 -10.830 10.514 389 HG21 VAL 42 HG21 VAL 42 2.553 -7.853 8.831 390 HG22 VAL 42 HG22 VAL 42 2.407 -8.741 10.332 391 HG23 VAL 42 HG23 VAL 42 3.535 -9.292 9.096 392 H GLN 43 HN GLN 43 1.187 -12.493 6.705 393 HA GLN 43 HA GLN 43 -1.653 -12.108 5.888 394 HB2 GLN 43 HB2 GLN 43 -0.274 -12.561 3.924 395 HB3 GLN 43 HB3 GLN 43 0.409 -13.989 4.653 396 HG2 GLN 43 HG2 GLN 43 -1.763 -15.146 4.634 397 HG3 GLN 43 HG3 GLN 43 -2.599 -13.672 4.202 398 HE21 GLN 43 HE21 GLN 43 -3.351 -15.490 2.592 399 HE22 GLN 43 HE22 GLN 43 -2.522 -15.483 1.056 400 H ASN 44 HN ASN 44 -2.995 -13.098 7.166 401 HA ASN 44 HA ASN 44 -2.157 -15.323 8.961 402 HB2 ASN 44 HB2 ASN 44 -3.765 -12.790 9.617 403 HB3 ASN 44 HB3 ASN 44 -3.556 -14.136 10.713 404 HD21 ASN 44 HD21 ASN 44 -2.680 -11.128 10.600 405 HD22 ASN 44 HD22 ASN 44 -1.026 -11.221 11.154 406 H GLY 45 HN GLY 45 -3.170 -16.213 6.764 407 HA2 GLY 45 HA2 GLY 45 -4.870 -17.516 5.921 408 HA3 GLY 45 HA1 GLY 45 -5.867 -17.165 7.326 409 H LYS 46 HN LYS 46 -7.677 -15.994 6.815 410 HA LYS 46 HA LYS 46 -7.943 -14.383 4.394 411 HB2 LYS 46 HB2 LYS 46 -9.783 -14.761 6.801 412 HB3 LYS 46 HB3 LYS 46 -10.216 -13.930 5.335 413 HG2 LYS 46 HG2 LYS 46 -9.590 -16.911 5.567 414 HG3 LYS 46 HG3 LYS 46 -11.153 -16.183 5.432 415 HD2 LYS 46 HD2 LYS 46 -10.948 -16.687 3.226 416 HD3 LYS 46 HD3 LYS 46 -10.173 -15.141 3.170 417 HE2 LYS 46 HE2 LYS 46 -8.835 -16.703 1.894 418 HE3 LYS 46 HE3 LYS 46 -7.898 -16.280 3.305 419 HZ1 LYS 46 HZ1 LYS 46 -7.869 -18.605 2.897 420 HZ2 LYS 46 HZ2 LYS 46 -9.512 -18.704 2.986 421 HZ3 LYS 46 HZ3 LYS 46 -8.637 -18.317 4.328 422 H HIS 47 HN HIS 47 -7.076 -13.768 7.776 423 HA HIS 47 HA HIS 47 -7.479 -10.904 7.576 424 HB2 HIS 47 HB2 HIS 47 -7.672 -12.180 9.707 425 HB3 HIS 47 HB3 HIS 47 -5.967 -12.517 9.667 426 HD1 HIS 47 HD1 HIS 47 -8.274 -9.440 9.548 427 HD2 HIS 47 HD2 HIS 47 -4.514 -10.542 11.111 428 HE1 HIS 47 HE1 HIS 47 -7.360 -7.490 10.875 429 H PHE 48 HN PHE 48 -5.950 -9.336 7.304 430 HA PHE 48 HA PHE 48 -3.170 -10.027 6.539 431 HB2 PHE 48 HB2 PHE 48 -5.237 -8.363 5.033 432 HB3 PHE 48 HB3 PHE 48 -3.547 -8.020 4.851 433 HD1 PHE 48 HD1 PHE 48 -1.952 -9.709 3.897 434 HD2 PHE 48 HD2 PHE 48 -6.220 -10.331 3.909 435 HE1 PHE 48 HE1 PHE 48 -1.729 -11.417 2.142 436 HE2 PHE 48 HE2 PHE 48 -5.960 -12.025 2.136 437 HZ PHE 48 HZ PHE 48 -3.721 -12.547 1.239 438 H LYS 49 HN LYS 49 -1.708 -8.247 6.767 439 HA LYS 49 HA LYS 49 -2.704 -5.826 8.112 440 HB2 LYS 49 HB2 LYS 49 -1.642 -7.657 9.762 441 HB3 LYS 49 HB3 LYS 49 -0.130 -7.067 9.122 442 HG2 LYS 49 HG2 LYS 49 -1.050 -4.683 9.731 443 HG3 LYS 49 HG3 LYS 49 -2.312 -5.515 10.580 444 HD2 LYS 49 HD2 LYS 49 0.671 -5.508 11.170 445 HD3 LYS 49 HD3 LYS 49 -0.616 -4.886 12.158 446 HE2 LYS 49 HE2 LYS 49 -0.043 -7.853 11.674 447 HE3 LYS 49 HE3 LYS 49 0.280 -6.941 13.133 448 HZ1 LYS 49 HZ1 LYS 49 -1.721 -8.117 13.399 449 HZ2 LYS 49 HZ2 LYS 49 -2.361 -7.505 12.006 450 HZ3 LYS 49 HZ3 LYS 49 -2.108 -6.512 13.284 451 H PHE 50 HN PHE 50 -1.734 -4.027 7.322 452 HA PHE 50 HA PHE 50 0.603 -4.264 5.473 453 HB2 PHE 50 HB2 PHE 50 -2.169 -3.225 4.995 454 HB3 PHE 50 HB3 PHE 50 -0.898 -2.194 4.418 455 HD1 PHE 50 HD1 PHE 50 -2.218 -5.694 4.199 456 HD2 PHE 50 HD2 PHE 50 0.311 -2.683 2.415 457 HE1 PHE 50 HE1 PHE 50 -1.966 -7.077 2.179 458 HE2 PHE 50 HE2 PHE 50 0.538 -4.092 0.410 459 HZ PHE 50 HZ PHE 50 -0.602 -6.289 0.301 460 H THR 51 HN THR 51 2.114 -3.547 6.915 461 HA THR 51 HA THR 51 1.778 -0.921 8.198 462 HB THR 51 HB THR 51 4.189 -2.787 8.118 463 HG1 THR 51 HG1 THR 51 3.541 -3.212 10.284 464 HG21 THR 51 HG21 THR 51 3.681 -0.359 9.899 465 HG22 THR 51 HG22 THR 51 4.953 -0.500 8.689 466 HG23 THR 51 HG23 THR 51 4.993 -1.513 10.117 467 H ILE 52 HN ILE 52 2.728 0.944 7.365 468 HA ILE 52 HA ILE 52 4.795 0.752 5.244 469 HB ILE 52 HB ILE 52 2.394 2.633 5.132 470 HG12 ILE 52 HG12 ILE 52 3.051 0.434 3.142 471 HG13 ILE 52 HG13 ILE 52 1.835 0.288 4.375 472 HG21 ILE 52 HG21 ILE 52 4.421 3.788 4.269 473 HG22 ILE 52 HG22 ILE 52 4.761 2.427 3.206 474 HG23 ILE 52 HG23 ILE 52 3.343 3.437 2.953 475 HD11 ILE 52 HD11 ILE 52 0.508 0.944 2.601 476 HD12 ILE 52 HD12 ILE 52 0.817 2.513 3.333 477 HD13 ILE 52 HD13 ILE 52 1.726 2.005 1.908 478 H THR 53 HN THR 53 6.461 2.112 5.713 479 HA THR 53 HA THR 53 6.079 4.313 7.701 480 HB THR 53 HB THR 53 8.451 2.392 7.381 481 HG1 THR 53 HG1 THR 53 6.695 1.556 8.506 482 HG21 THR 53 HG21 THR 53 9.366 4.609 8.027 483 HG22 THR 53 HG22 THR 53 9.385 3.550 9.422 484 HG23 THR 53 HG23 THR 53 8.140 4.785 9.278 485 H ALA 54 HN ALA 54 6.571 6.255 6.815 486 HA ALA 54 HA ALA 54 8.889 6.739 5.239 487 HB1 ALA 54 HB1 ALA 54 7.521 5.776 3.352 488 HB2 ALA 54 HB2 ALA 54 6.207 6.880 3.730 489 HB3 ALA 54 HB3 ALA 54 7.742 7.500 3.129 490 H GLY 55 HN GLY 55 9.416 8.887 5.427 491 HA2 GLY 55 HA2 GLY 55 9.233 11.133 5.791 492 HA3 GLY 55 HA1 GLY 55 7.492 11.021 5.644 493 H SER 56 HN SER 56 9.438 9.179 8.033 494 HA SER 56 HA SER 56 9.580 9.096 10.224 495 HB2 SER 56 HB2 SER 56 9.043 12.120 10.136 496 HB3 SER 56 HB3 SER 56 9.553 11.256 11.563 497 HG SER 56 HG SER 56 11.432 10.671 10.604 498 H LYS 57 HN LYS 57 6.921 8.643 8.942 499 HA LYS 57 HA LYS 57 5.392 8.393 11.450 500 HB2 LYS 57 HB2 LYS 57 3.325 9.142 10.391 501 HB3 LYS 57 HB3 LYS 57 4.516 10.392 10.381 502 HG2 LYS 57 HG2 LYS 57 3.651 10.664 8.277 503 HG3 LYS 57 HG3 LYS 57 5.042 9.719 7.931 504 HD2 LYS 57 HD2 LYS 57 3.252 8.860 6.590 505 HD3 LYS 57 HD3 LYS 57 3.571 7.641 7.765 506 HE2 LYS 57 HE2 LYS 57 1.158 7.896 7.515 507 HE3 LYS 57 HE3 LYS 57 1.578 8.419 9.125 508 HZ1 LYS 57 HZ1 LYS 57 1.145 10.160 6.794 509 HZ2 LYS 57 HZ2 LYS 57 1.498 10.682 8.320 510 HZ3 LYS 57 HZ3 LYS 57 0.075 9.903 8.013 511 H VAL 58 HN VAL 58 3.723 6.732 11.313 512 HA VAL 58 HA VAL 58 4.353 4.578 9.352 513 HB VAL 58 HB VAL 58 3.850 4.239 12.348 514 HG11 VAL 58 HG11 VAL 58 4.450 2.148 10.208 515 HG12 VAL 58 HG12 VAL 58 4.519 1.835 11.938 516 HG13 VAL 58 HG13 VAL 58 2.997 2.262 11.198 517 HG21 VAL 58 HG21 VAL 58 6.214 3.419 12.483 518 HG22 VAL 58 HG22 VAL 58 6.474 3.964 10.831 519 HG23 VAL 58 HG23 VAL 58 6.108 5.124 12.101 520 H ILE 59 HN ILE 59 2.629 3.578 8.526 521 HA ILE 59 HA ILE 59 -0.130 4.091 9.538 522 HB ILE 59 HB ILE 59 0.864 3.042 6.831 523 HG12 ILE 59 HG12 ILE 59 -0.571 5.360 6.270 524 HG13 ILE 59 HG13 ILE 59 0.206 5.802 7.748 525 HG21 ILE 59 HG21 ILE 59 -2.003 3.593 7.708 526 HG22 ILE 59 HG22 ILE 59 -1.505 3.273 6.051 527 HG23 ILE 59 HG23 ILE 59 -1.323 2.032 7.254 528 HD11 ILE 59 HD11 ILE 59 1.582 4.782 5.193 529 HD12 ILE 59 HD12 ILE 59 1.594 6.433 5.778 530 HD13 ILE 59 HD13 ILE 59 2.454 5.188 6.675 531 H GLN 60 HN GLN 60 -1.390 2.239 10.032 532 HA GLN 60 HA GLN 60 -0.404 -0.393 9.218 533 HB2 GLN 60 HB2 GLN 60 -0.757 0.398 12.091 534 HB3 GLN 60 HB3 GLN 60 -1.480 -1.115 11.629 535 HG2 GLN 60 HG2 GLN 60 0.710 -1.847 10.601 536 HG3 GLN 60 HG3 GLN 60 1.472 -0.423 11.279 537 HE21 GLN 60 HE21 GLN 60 0.435 -0.249 13.856 538 HE22 GLN 60 HE22 GLN 60 0.828 -1.693 14.753 539 H ASN 61 HN ASN 61 -1.868 -1.480 8.203 540 HA ASN 61 HA ASN 61 -4.761 -0.824 8.547 541 HB2 ASN 61 HB2 ASN 61 -3.184 -1.550 6.012 542 HB3 ASN 61 HB3 ASN 61 -4.926 -1.465 6.089 543 HD21 ASN 61 HD21 ASN 61 -5.583 0.782 7.379 544 HD22 ASN 61 HD22 ASN 61 -4.910 2.184 6.575 545 H GLU 62 HN GLU 62 -5.073 -2.480 10.093 546 HA GLU 62 HA GLU 62 -4.952 -5.276 9.312 547 HB2 GLU 62 HB2 GLU 62 -6.411 -3.654 11.429 548 HB3 GLU 62 HB3 GLU 62 -7.031 -5.209 11.030 549 HG2 GLU 62 HG2 GLU 62 -5.700 -5.708 12.840 550 HG3 GLU 62 HG3 GLU 62 -4.675 -6.175 11.513 551 H PHE 63 HN PHE 63 -6.376 -6.388 8.060 552 HA PHE 63 HA PHE 63 -9.096 -5.649 7.865 553 HB2 PHE 63 HB2 PHE 63 -9.348 -5.374 5.460 554 HB3 PHE 63 HB3 PHE 63 -8.359 -4.105 6.080 555 HD1 PHE 63 HD1 PHE 63 -8.383 -7.237 4.055 556 HD2 PHE 63 HD2 PHE 63 -5.980 -3.916 5.412 557 HE1 PHE 63 HE1 PHE 63 -6.635 -7.812 2.432 558 HE2 PHE 63 HE2 PHE 63 -4.275 -4.494 3.740 559 HZ PHE 63 HZ PHE 63 -4.598 -6.434 2.247 560 H THR 64 HN THR 64 -10.400 -7.331 6.906 561 HA THR 64 HA THR 64 -8.974 -9.908 6.400 562 HB THR 64 HB THR 64 -11.621 -9.413 7.861 563 HG1 THR 64 HG1 THR 64 -10.566 -10.482 9.529 564 HG21 THR 64 HG21 THR 64 -11.667 -11.922 8.209 565 HG22 THR 64 HG22 THR 64 -10.346 -12.085 7.065 566 HG23 THR 64 HG23 THR 64 -11.918 -11.493 6.529 567 H VAL 65 HN VAL 65 -9.361 -10.707 4.408 568 HA VAL 65 HA VAL 65 -11.053 -9.246 2.620 569 HB VAL 65 HB VAL 65 -10.470 -10.868 0.921 570 HG11 VAL 65 HG11 VAL 65 -8.042 -10.449 0.839 571 HG12 VAL 65 HG12 VAL 65 -8.948 -9.027 1.339 572 HG13 VAL 65 HG13 VAL 65 -8.057 -9.967 2.527 573 HG21 VAL 65 HG21 VAL 65 -9.067 -12.539 3.044 574 HG22 VAL 65 HG22 VAL 65 -10.402 -13.033 2.010 575 HG23 VAL 65 HG23 VAL 65 -8.830 -12.713 1.313 576 H GLY 66 HN GLY 66 -13.063 -9.593 1.945 577 HA2 GLY 66 HA2 GLY 66 -15.103 -10.653 1.623 578 HA3 GLY 66 HA1 GLY 66 -14.620 -12.026 2.595 579 H GLU 67 HN GLU 67 -13.705 -9.432 4.519 580 HA GLU 67 HA GLU 67 -16.394 -9.019 5.772 581 HB2 GLU 67 HB2 GLU 67 -13.655 -9.208 7.101 582 HB3 GLU 67 HB3 GLU 67 -15.128 -8.769 7.914 583 HG2 GLU 67 HG2 GLU 67 -16.083 -11.048 7.393 584 HG3 GLU 67 HG3 GLU 67 -14.567 -11.496 6.644 585 H GLU 68 HN GLU 68 -16.552 -6.985 6.961 586 HA GLU 68 HA GLU 68 -15.256 -4.730 5.609 587 HB2 GLU 68 HB2 GLU 68 -17.691 -4.732 6.091 588 HB3 GLU 68 HB3 GLU 68 -17.370 -4.862 7.796 589 HG2 GLU 68 HG2 GLU 68 -16.224 -2.604 7.753 590 HG3 GLU 68 HG3 GLU 68 -16.509 -2.506 6.030 591 H CYS 69 HN CYS 69 -13.779 -3.372 6.532 592 HA CYS 69 HA CYS 69 -13.140 -3.369 9.357 593 HB2 CYS 69 HB2 CYS 69 -11.194 -4.507 7.299 594 HB3 CYS 69 HB3 CYS 69 -10.551 -3.522 8.595 595 HG CYS 69 HG CYS 69 -12.482 -6.156 8.911 596 H GLU 70 HN GLU 70 -11.851 -1.515 9.937 597 HA GLU 70 HA GLU 70 -12.273 0.736 8.114 598 HB2 GLU 70 HB2 GLU 70 -11.312 0.558 10.983 599 HB3 GLU 70 HB3 GLU 70 -11.372 2.036 10.051 600 HG2 GLU 70 HG2 GLU 70 -13.817 1.784 9.716 601 HG3 GLU 70 HG3 GLU 70 -13.809 0.294 10.635 602 H LEU 71 HN LEU 71 -10.813 1.439 6.729 603 HA LEU 71 HA LEU 71 -7.952 0.718 6.987 604 HB2 LEU 71 HB2 LEU 71 -9.807 1.413 4.742 605 HB3 LEU 71 HB3 LEU 71 -8.269 2.200 4.648 606 HG LEU 71 HG LEU 71 -7.068 0.060 4.881 607 HD11 LEU 71 HD11 LEU 71 -9.698 -1.054 5.502 608 HD12 LEU 71 HD12 LEU 71 -8.107 -1.785 5.635 609 HD13 LEU 71 HD13 LEU 71 -9.006 -1.888 4.130 610 HD21 LEU 71 HD21 LEU 71 -7.204 0.855 2.681 611 HD22 LEU 71 HD22 LEU 71 -8.930 0.530 2.543 612 HD23 LEU 71 HD23 LEU 71 -7.770 -0.797 2.532 613 H GLU 72 HN GLU 72 -6.885 1.990 8.299 614 HA GLU 72 HA GLU 72 -7.145 4.810 8.699 615 HB2 GLU 72 HB2 GLU 72 -6.066 3.283 10.291 616 HB3 GLU 72 HB3 GLU 72 -4.893 2.789 9.112 617 HG2 GLU 72 HG2 GLU 72 -3.941 5.152 9.104 618 HG3 GLU 72 HG3 GLU 72 -5.119 5.592 10.324 619 H THR 73 HN THR 73 -7.125 6.099 6.945 620 HA THR 73 HA THR 73 -5.468 5.666 4.621 621 HB THR 73 HB THR 73 -6.464 7.654 3.772 622 HG1 THR 73 HG1 THR 73 -7.453 8.293 6.330 623 HG21 THR 73 HG21 THR 73 -8.823 7.229 3.873 624 HG22 THR 73 HG22 THR 73 -8.724 6.458 5.443 625 HG23 THR 73 HG23 THR 73 -8.028 5.666 4.055 626 H MET 74 HN MET 74 -4.209 7.716 3.789 627 HA MET 74 HA MET 74 -1.833 7.831 5.260 628 HB2 MET 74 HB2 MET 74 -2.914 9.404 2.897 629 HB3 MET 74 HB3 MET 74 -1.273 9.619 3.463 630 HG2 MET 74 HG2 MET 74 -2.425 6.949 2.531 631 HG3 MET 74 HG3 MET 74 -1.515 8.041 1.519 632 HE1 MET 74 HE1 MET 74 -1.021 4.823 2.407 633 HE2 MET 74 HE2 MET 74 -0.217 5.643 1.059 634 HE3 MET 74 HE3 MET 74 0.745 4.830 2.301 635 H THR 75 HN THR 75 -4.575 10.053 5.479 636 HA THR 75 HA THR 75 -3.104 12.119 6.948 637 HB THR 75 HB THR 75 -5.391 13.073 7.275 638 HG1 THR 75 HG1 THR 75 -7.160 12.058 6.423 639 HG21 THR 75 HG21 THR 75 -4.267 13.707 5.171 640 HG22 THR 75 HG22 THR 75 -5.999 13.556 4.937 641 HG23 THR 75 HG23 THR 75 -4.924 12.289 4.356 642 H GLY 76 HN GLY 76 -4.466 9.041 7.722 643 HA2 GLY 76 HA2 GLY 76 -4.280 8.019 9.819 644 HA3 GLY 76 HA1 GLY 76 -4.369 9.556 10.653 645 H GLU 77 HN GLU 77 -6.770 9.962 8.413 646 HA GLU 77 HA GLU 77 -8.979 9.399 10.136 647 HB2 GLU 77 HB2 GLU 77 -8.776 10.003 7.147 648 HB3 GLU 77 HB3 GLU 77 -10.291 9.883 7.992 649 HG2 GLU 77 HG2 GLU 77 -9.719 11.800 9.443 650 HG3 GLU 77 HG3 GLU 77 -8.114 11.900 8.757 651 H LYS 78 HN LYS 78 -10.241 7.601 10.352 652 HA LYS 78 HA LYS 78 -9.609 5.200 8.711 653 HB2 LYS 78 HB2 LYS 78 -11.077 5.488 11.376 654 HB3 LYS 78 HB3 LYS 78 -10.751 4.011 10.530 655 HG2 LYS 78 HG2 LYS 78 -8.209 4.689 10.695 656 HG3 LYS 78 HG3 LYS 78 -8.750 5.853 11.865 657 HD2 LYS 78 HD2 LYS 78 -8.211 4.058 13.247 658 HD3 LYS 78 HD3 LYS 78 -9.927 3.822 13.046 659 HE2 LYS 78 HE2 LYS 78 -9.372 2.188 11.112 660 HE3 LYS 78 HE3 LYS 78 -7.695 2.319 11.583 661 HZ1 LYS 78 HZ1 LYS 78 -8.753 0.455 12.582 662 HZ2 LYS 78 HZ2 LYS 78 -9.892 1.412 13.298 663 HZ3 LYS 78 HZ3 LYS 78 -8.309 1.526 13.756 664 H VAL 79 HN VAL 79 -11.171 4.191 7.476 665 HA VAL 79 HA VAL 79 -13.995 4.946 7.762 666 HB VAL 79 HB VAL 79 -14.298 5.117 5.302 667 HG11 VAL 79 HG11 VAL 79 -14.239 7.154 6.727 668 HG12 VAL 79 HG12 VAL 79 -12.539 7.372 6.313 669 HG13 VAL 79 HG13 VAL 79 -13.773 7.442 5.062 670 HG21 VAL 79 HG21 VAL 79 -12.279 4.079 4.368 671 HG22 VAL 79 HG22 VAL 79 -12.426 5.719 3.793 672 HG23 VAL 79 HG23 VAL 79 -11.266 5.344 5.062 673 H LYS 80 HN LYS 80 -15.364 3.336 7.394 674 HA LYS 80 HA LYS 80 -14.505 0.641 7.282 675 HB2 LYS 80 HB2 LYS 80 -17.211 2.045 7.050 676 HB3 LYS 80 HB3 LYS 80 -17.051 0.320 6.907 677 HG2 LYS 80 HG2 LYS 80 -15.950 0.185 9.129 678 HG3 LYS 80 HG3 LYS 80 -16.219 1.892 9.375 679 HD2 LYS 80 HD2 LYS 80 -18.545 1.663 9.564 680 HD3 LYS 80 HD3 LYS 80 -18.620 0.224 8.601 681 HE2 LYS 80 HE2 LYS 80 -17.306 -0.906 10.624 682 HE3 LYS 80 HE3 LYS 80 -17.820 0.505 11.535 683 HZ1 LYS 80 HZ1 LYS 80 -19.355 -1.323 11.689 684 HZ2 LYS 80 HZ2 LYS 80 -19.508 -1.386 10.048 685 HZ3 LYS 80 HZ3 LYS 80 -20.094 -0.083 10.883 686 H THR 81 HN THR 81 -14.469 -0.882 5.700 687 HA THR 81 HA THR 81 -15.681 -0.637 3.137 688 HB THR 81 HB THR 81 -13.850 0.939 2.652 689 HG1 THR 81 HG1 THR 81 -13.023 -0.053 0.924 690 HG21 THR 81 HG21 THR 81 -12.131 0.224 4.355 691 HG22 THR 81 HG22 THR 81 -11.464 0.329 2.737 692 HG23 THR 81 HG23 THR 81 -11.830 -1.242 3.429 693 H VAL 82 HN VAL 82 -15.381 -2.530 1.840 694 HA VAL 82 HA VAL 82 -14.339 -4.926 3.282 695 HB VAL 82 HB VAL 82 -16.317 -4.674 0.968 696 HG11 VAL 82 HG11 VAL 82 -16.708 -7.140 1.283 697 HG12 VAL 82 HG12 VAL 82 -15.103 -6.795 0.681 698 HG13 VAL 82 HG13 VAL 82 -15.335 -7.203 2.378 699 HG21 VAL 82 HG21 VAL 82 -17.356 -4.001 3.122 700 HG22 VAL 82 HG22 VAL 82 -18.019 -5.520 2.551 701 HG23 VAL 82 HG23 VAL 82 -16.836 -5.518 3.852 702 H VAL 83 HN VAL 83 -12.704 -6.073 2.372 703 HA VAL 83 HA VAL 83 -11.456 -5.080 -0.160 704 HB VAL 83 HB VAL 83 -10.199 -6.649 2.152 705 HG11 VAL 83 HG11 VAL 83 -8.920 -7.061 0.173 706 HG12 VAL 83 HG12 VAL 83 -8.971 -5.390 -0.333 707 HG13 VAL 83 HG13 VAL 83 -8.024 -5.855 1.069 708 HG21 VAL 83 HG21 VAL 83 -9.009 -4.437 2.674 709 HG22 VAL 83 HG22 VAL 83 -10.248 -3.655 1.697 710 HG23 VAL 83 HG23 VAL 83 -10.696 -4.540 3.139 711 H GLN 84 HN GLN 84 -10.899 -6.604 -1.750 712 HA GLN 84 HA GLN 84 -11.696 -9.449 -1.324 713 HB2 GLN 84 HB2 GLN 84 -12.239 -7.689 -3.779 714 HB3 GLN 84 HB3 GLN 84 -12.558 -9.394 -3.694 715 HG2 GLN 84 HG2 GLN 84 -13.971 -7.229 -2.060 716 HG3 GLN 84 HG3 GLN 84 -14.620 -8.073 -3.438 717 HE21 GLN 84 HE21 GLN 84 -16.112 -8.018 -1.169 718 HE22 GLN 84 HE22 GLN 84 -16.149 -9.596 -0.430 719 H LEU 85 HN LEU 85 -10.521 -10.989 -2.372 720 HA LEU 85 HA LEU 85 -7.928 -10.131 -3.570 721 HB2 LEU 85 HB2 LEU 85 -7.792 -11.102 -1.317 722 HB3 LEU 85 HB3 LEU 85 -8.603 -12.534 -1.802 723 HG LEU 85 HG LEU 85 -6.235 -11.909 -3.493 724 HD11 LEU 85 HD11 LEU 85 -4.895 -13.020 -1.279 725 HD12 LEU 85 HD12 LEU 85 -5.816 -11.697 -0.604 726 HD13 LEU 85 HD13 LEU 85 -4.718 -11.416 -1.946 727 HD21 LEU 85 HD21 LEU 85 -7.677 -14.156 -3.240 728 HD22 LEU 85 HD22 LEU 85 -6.515 -14.498 -1.970 729 HD23 LEU 85 HD23 LEU 85 -5.964 -14.207 -3.614 730 H GLU 86 HN GLU 86 -7.541 -10.792 -5.577 731 HA GLU 86 HA GLU 86 -9.251 -12.816 -6.904 732 HB2 GLU 86 HB2 GLU 86 -7.045 -11.077 -8.104 733 HB3 GLU 86 HB3 GLU 86 -8.277 -11.950 -8.958 734 HG2 GLU 86 HG2 GLU 86 -8.654 -9.434 -7.267 735 HG3 GLU 86 HG3 GLU 86 -8.785 -9.568 -8.997 736 H GLY 87 HN GLY 87 -8.183 -14.457 -8.224 737 HA2 GLY 87 HA2 GLY 87 -6.311 -16.032 -6.760 738 HA3 GLY 87 HA1 GLY 87 -6.941 -16.352 -8.360 739 H ASP 88 HN ASP 88 -5.602 -13.352 -8.748 740 HA ASP 88 HA ASP 88 -2.933 -14.366 -9.582 741 HB2 ASP 88 HB2 ASP 88 -4.451 -11.978 -10.686 742 HB3 ASP 88 HB3 ASP 88 -2.927 -12.571 -11.282 743 H ASN 89 HN ASN 89 -3.412 -13.694 -6.872 744 HA ASN 89 HA ASN 89 -2.263 -12.737 -5.157 745 HB2 ASN 89 HB2 ASN 89 -0.241 -11.585 -7.089 746 HB3 ASN 89 HB3 ASN 89 0.037 -12.213 -5.482 747 HD21 ASN 89 HD21 ASN 89 0.984 -12.654 -8.462 748 HD22 ASN 89 HD22 ASN 89 1.124 -14.394 -8.544 749 H LYS 90 HN LYS 90 -4.366 -11.074 -6.375 750 HA LYS 90 HA LYS 90 -3.246 -8.353 -5.906 751 HB2 LYS 90 HB2 LYS 90 -4.990 -9.455 -8.129 752 HB3 LYS 90 HB3 LYS 90 -4.980 -7.750 -7.770 753 HG2 LYS 90 HG2 LYS 90 -2.741 -7.424 -8.375 754 HG3 LYS 90 HG3 LYS 90 -2.304 -9.088 -8.190 755 HD2 LYS 90 HD2 LYS 90 -2.294 -8.635 -10.523 756 HD3 LYS 90 HD3 LYS 90 -3.644 -9.687 -10.212 757 HE2 LYS 90 HE2 LYS 90 -5.220 -7.743 -10.325 758 HE3 LYS 90 HE3 LYS 90 -3.865 -6.659 -10.595 759 HZ1 LYS 90 HZ1 LYS 90 -4.907 -7.286 -12.632 760 HZ2 LYS 90 HZ2 LYS 90 -4.638 -8.887 -12.341 761 HZ3 LYS 90 HZ3 LYS 90 -3.365 -7.871 -12.593 762 H LEU 91 HN LEU 91 -4.113 -7.311 -4.285 763 HA LEU 91 HA LEU 91 -6.865 -7.833 -3.381 764 HB2 LEU 91 HB2 LEU 91 -4.677 -5.913 -2.397 765 HB3 LEU 91 HB3 LEU 91 -6.305 -5.814 -1.841 766 HG LEU 91 HG LEU 91 -5.116 -6.912 -0.202 767 HD11 LEU 91 HD11 LEU 91 -6.404 -9.410 -1.041 768 HD12 LEU 91 HD12 LEU 91 -7.453 -8.021 -1.247 769 HD13 LEU 91 HD13 LEU 91 -6.751 -8.364 0.317 770 HD21 LEU 91 HD21 LEU 91 -3.712 -8.796 -0.366 771 HD22 LEU 91 HD22 LEU 91 -3.266 -7.785 -1.735 772 HD23 LEU 91 HD23 LEU 91 -4.281 -9.197 -1.986 773 H VAL 92 HN VAL 92 -8.502 -6.330 -3.491 774 HA VAL 92 HA VAL 92 -8.050 -3.743 -4.866 775 HB VAL 92 HB VAL 92 -10.445 -5.593 -5.343 776 HG11 VAL 92 HG11 VAL 92 -9.857 -2.817 -6.479 777 HG12 VAL 92 HG12 VAL 92 -11.152 -3.875 -7.032 778 HG13 VAL 92 HG13 VAL 92 -11.185 -3.242 -5.401 779 HG21 VAL 92 HG21 VAL 92 -9.693 -5.675 -7.729 780 HG22 VAL 92 HG22 VAL 92 -8.201 -4.855 -7.274 781 HG23 VAL 92 HG23 VAL 92 -8.565 -6.461 -6.646 782 H THR 93 HN THR 93 -8.759 -2.143 -3.573 783 HA THR 93 HA THR 93 -10.955 -2.499 -1.661 784 HB THR 93 HB THR 93 -9.021 -3.198 -0.318 785 HG1 THR 93 HG1 THR 93 -9.096 -1.524 1.260 786 HG21 THR 93 HG21 THR 93 -7.167 -1.940 -1.601 787 HG22 THR 93 HG22 THR 93 -7.071 -1.861 0.151 788 HG23 THR 93 HG23 THR 93 -7.701 -0.490 -0.740 789 H THR 94 HN THR 94 -11.767 -0.435 -0.856 790 HA THR 94 HA THR 94 -10.875 1.956 -2.383 791 HB THR 94 HB THR 94 -13.799 1.070 -2.177 792 HG1 THR 94 HG1 THR 94 -12.636 -0.264 -3.571 793 HG21 THR 94 HG21 THR 94 -13.558 3.553 -2.449 794 HG22 THR 94 HG22 THR 94 -14.177 2.830 -3.922 795 HG23 THR 94 HG23 THR 94 -12.484 3.305 -3.823 796 H PHE 95 HN PHE 95 -10.811 3.788 -1.151 797 HA PHE 95 HA PHE 95 -12.482 4.049 1.264 798 HB2 PHE 95 HB2 PHE 95 -10.496 4.451 2.694 799 HB3 PHE 95 HB3 PHE 95 -10.581 2.811 2.142 800 HD1 PHE 95 HD1 PHE 95 -8.741 6.029 1.865 801 HD2 PHE 95 HD2 PHE 95 -8.878 1.934 0.527 802 HE1 PHE 95 HE1 PHE 95 -6.433 6.211 1.026 803 HE2 PHE 95 HE2 PHE 95 -6.578 2.154 -0.306 804 HZ PHE 95 HZ PHE 95 -5.358 4.283 -0.059 805 H LYS 96 HN LYS 96 -13.186 6.114 1.451 806 HA LYS 96 HA LYS 96 -13.576 8.256 0.958 807 HB2 LYS 96 HB2 LYS 96 -10.543 8.459 1.351 808 HB3 LYS 96 HB3 LYS 96 -11.639 9.813 1.304 809 HG2 LYS 96 HG2 LYS 96 -12.899 8.576 3.263 810 HG3 LYS 96 HG3 LYS 96 -11.350 7.801 3.497 811 HD2 LYS 96 HD2 LYS 96 -11.923 10.804 3.494 812 HD3 LYS 96 HD3 LYS 96 -11.539 9.837 4.886 813 HE2 LYS 96 HE2 LYS 96 -9.228 9.545 4.206 814 HE3 LYS 96 HE3 LYS 96 -9.536 10.144 2.588 815 HZ1 LYS 96 HZ1 LYS 96 -9.668 11.768 5.014 816 HZ2 LYS 96 HZ2 LYS 96 -10.051 12.279 3.497 817 HZ3 LYS 96 HZ3 LYS 96 -8.517 11.795 3.849 818 H ASN 97 HN ASN 97 -13.687 6.956 -1.427 819 HA ASN 97 HA ASN 97 -13.819 7.302 -3.652 820 HB2 ASN 97 HB2 ASN 97 -12.326 9.946 -3.547 821 HB3 ASN 97 HB3 ASN 97 -13.491 9.415 -4.717 822 HD21 ASN 97 HD21 ASN 97 -13.120 11.770 -2.641 823 HD22 ASN 97 HD22 ASN 97 -14.730 11.943 -1.993 824 H ILE 98 HN ILE 98 -11.038 6.613 -2.085 825 HA ILE 98 HA ILE 98 -9.247 6.785 -4.424 826 HB ILE 98 HB ILE 98 -8.507 5.978 -1.582 827 HG12 ILE 98 HG12 ILE 98 -8.199 8.752 -2.766 828 HG13 ILE 98 HG13 ILE 98 -9.472 8.334 -1.685 829 HG21 ILE 98 HG21 ILE 98 -6.778 6.868 -3.913 830 HG22 ILE 98 HG22 ILE 98 -6.206 6.471 -2.295 831 HG23 ILE 98 HG23 ILE 98 -6.906 5.225 -3.291 832 HD11 ILE 98 HD11 ILE 98 -7.920 7.847 0.132 833 HD12 ILE 98 HD12 ILE 98 -6.534 8.196 -0.908 834 HD13 ILE 98 HD13 ILE 98 -7.671 9.466 -0.494 835 H LYS 99 HN LYS 99 -9.641 4.995 -5.747 836 HA LYS 99 HA LYS 99 -10.075 2.321 -4.605 837 HB2 LYS 99 HB2 LYS 99 -11.326 3.104 -6.556 838 HB3 LYS 99 HB3 LYS 99 -9.887 3.244 -7.512 839 HG2 LYS 99 HG2 LYS 99 -10.658 0.601 -6.170 840 HG3 LYS 99 HG3 LYS 99 -11.491 1.097 -7.601 841 HD2 LYS 99 HD2 LYS 99 -8.473 0.637 -7.475 842 HD3 LYS 99 HD3 LYS 99 -9.635 -0.540 -7.987 843 HE2 LYS 99 HE2 LYS 99 -10.362 1.023 -9.857 844 HE3 LYS 99 HE3 LYS 99 -9.094 2.139 -9.378 845 HZ1 LYS 99 HZ1 LYS 99 -7.497 0.414 -9.802 846 HZ2 LYS 99 HZ2 LYS 99 -8.404 0.726 -11.143 847 HZ3 LYS 99 HZ3 LYS 99 -8.692 -0.632 -10.252 848 H SER 100 HN SER 100 -8.374 1.319 -3.776 849 HA SER 100 HA SER 100 -5.674 1.625 -4.937 850 HB2 SER 100 HB2 SER 100 -5.930 2.193 -2.563 851 HB3 SER 100 HB3 SER 100 -6.651 0.636 -2.235 852 HG SER 100 HG SER 100 -4.463 0.656 -1.697 853 H VAL 101 HN VAL 101 -4.501 -0.080 -5.641 854 HA VAL 101 HA VAL 101 -5.639 -2.814 -5.555 855 HB VAL 101 HB VAL 101 -4.378 -1.491 -8.011 856 HG11 VAL 101 HG11 VAL 101 -3.609 -3.832 -7.942 857 HG12 VAL 101 HG12 VAL 101 -5.252 -4.396 -7.650 858 HG13 VAL 101 HG13 VAL 101 -4.822 -3.663 -9.190 859 HG21 VAL 101 HG21 VAL 101 -6.702 -0.812 -7.854 860 HG22 VAL 101 HG22 VAL 101 -6.550 -1.987 -9.146 861 HG23 VAL 101 HG23 VAL 101 -7.229 -2.473 -7.593 862 H THR 102 HN THR 102 -4.181 -4.065 -4.553 863 HA THR 102 HA THR 102 -1.274 -3.410 -4.704 864 HB THR 102 HB THR 102 -2.586 -5.531 -2.944 865 HG1 THR 102 HG1 THR 102 -2.349 -4.019 -1.275 866 HG21 THR 102 HG21 THR 102 0.178 -4.222 -2.904 867 HG22 THR 102 HG22 THR 102 -0.177 -5.930 -3.134 868 HG23 THR 102 HG23 THR 102 -0.458 -5.183 -1.584 869 H GLU 103 HN GLU 103 0.157 -5.052 -5.386 870 HA GLU 103 HA GLU 103 -0.894 -7.607 -6.452 871 HB2 GLU 103 HB2 GLU 103 -0.709 -6.051 -8.385 872 HB3 GLU 103 HB3 GLU 103 0.878 -5.582 -7.876 873 HG2 GLU 103 HG2 GLU 103 1.564 -8.105 -8.269 874 HG3 GLU 103 HG3 GLU 103 0.027 -8.257 -9.081 875 H LEU 104 HN LEU 104 0.336 -9.218 -5.633 876 HA LEU 104 HA LEU 104 3.167 -8.728 -4.833 877 HB2 LEU 104 HB2 LEU 104 1.987 -9.878 -3.100 878 HB3 LEU 104 HB3 LEU 104 1.121 -10.861 -4.222 879 HG LEU 104 HG LEU 104 3.381 -12.008 -4.801 880 HD11 LEU 104 HD11 LEU 104 5.043 -11.918 -2.869 881 HD12 LEU 104 HD12 LEU 104 4.220 -10.478 -2.305 882 HD13 LEU 104 HD13 LEU 104 5.009 -10.487 -3.885 883 HD21 LEU 104 HD21 LEU 104 1.634 -12.379 -2.440 884 HD22 LEU 104 HD22 LEU 104 3.204 -13.165 -2.351 885 HD23 LEU 104 HD23 LEU 104 2.133 -13.497 -3.698 886 H ASN 105 HN ASN 105 4.781 -9.505 -6.119 887 HA ASN 105 HA ASN 105 4.190 -11.328 -8.379 888 HB2 ASN 105 HB2 ASN 105 3.969 -8.583 -8.802 889 HB3 ASN 105 HB3 ASN 105 5.649 -8.769 -9.131 890 HD21 ASN 105 HD21 ASN 105 2.336 -9.953 -9.887 891 HD22 ASN 105 HD22 ASN 105 2.672 -10.424 -11.533 892 H GLY 106 HN GLY 106 5.265 -12.640 -6.814 893 HA2 GLY 106 HA2 GLY 106 7.108 -13.900 -6.298 894 HA3 GLY 106 HA1 GLY 106 8.085 -12.947 -7.407 895 H ASP 107 HN ASP 107 9.649 -11.792 -6.402 896 HA ASP 107 HA ASP 107 9.516 -11.080 -3.568 897 HB2 ASP 107 HB2 ASP 107 11.875 -10.532 -5.409 898 HB3 ASP 107 HB3 ASP 107 11.829 -10.593 -3.682 899 H ILE 108 HN ILE 108 8.116 -9.606 -6.102 900 HA ILE 108 HA ILE 108 8.894 -6.810 -5.360 901 HB ILE 108 HB ILE 108 7.320 -7.719 -7.809 902 HG12 ILE 108 HG12 ILE 108 9.388 -8.928 -8.073 903 HG13 ILE 108 HG13 ILE 108 9.276 -7.650 -9.228 904 HG21 ILE 108 HG21 ILE 108 8.856 -5.140 -7.290 905 HG22 ILE 108 HG22 ILE 108 8.092 -5.577 -8.813 906 HG23 ILE 108 HG23 ILE 108 7.109 -5.320 -7.394 907 HD11 ILE 108 HD11 ILE 108 10.859 -6.257 -7.801 908 HD12 ILE 108 HD12 ILE 108 10.999 -7.632 -6.702 909 HD13 ILE 108 HD13 ILE 108 11.562 -7.768 -8.359 910 H ILE 109 HN ILE 109 7.198 -5.329 -4.916 911 HA ILE 109 HA ILE 109 4.399 -6.325 -4.933 912 HB ILE 109 HB ILE 109 5.688 -4.515 -2.849 913 HG12 ILE 109 HG12 ILE 109 6.138 -6.818 -2.330 914 HG13 ILE 109 HG13 ILE 109 5.105 -6.082 -1.149 915 HG21 ILE 109 HG21 ILE 109 3.509 -3.534 -3.229 916 HG22 ILE 109 HG22 ILE 109 2.713 -5.099 -3.180 917 HG23 ILE 109 HG23 ILE 109 3.428 -4.416 -1.725 918 HD11 ILE 109 HD11 ILE 109 4.518 -8.291 -3.077 919 HD12 ILE 109 HD12 ILE 109 4.023 -8.128 -1.401 920 HD13 ILE 109 HD13 ILE 109 3.151 -7.267 -2.662 921 H THR 110 HN THR 110 3.062 -4.956 -6.089 922 HA THR 110 HA THR 110 3.975 -2.147 -6.625 923 HB THR 110 HB THR 110 2.014 -3.818 -8.273 924 HG1 THR 110 HG1 THR 110 3.978 -4.539 -8.757 925 HG21 THR 110 HG21 THR 110 1.428 -1.407 -8.446 926 HG22 THR 110 HG22 THR 110 2.164 -1.963 -9.935 927 HG23 THR 110 HG23 THR 110 3.110 -1.012 -8.798 928 H ASN 111 HN ASN 111 2.579 -0.536 -5.997 929 HA ASN 111 HA ASN 111 -0.094 -1.242 -4.970 930 HB2 ASN 111 HB2 ASN 111 2.163 0.157 -3.469 931 HB3 ASN 111 HB3 ASN 111 0.544 0.741 -3.219 932 HD21 ASN 111 HD21 ASN 111 -1.184 -0.681 -2.503 933 HD22 ASN 111 HD22 ASN 111 -0.776 -2.041 -1.496 934 H THR 112 HN THR 112 -1.366 -0.261 -6.397 935 HA THR 112 HA THR 112 -0.796 2.501 -7.374 936 HB THR 112 HB THR 112 -2.620 0.269 -8.415 937 HG1 THR 112 HG1 THR 112 -0.433 0.012 -8.840 938 HG21 THR 112 HG21 THR 112 -3.719 2.435 -9.007 939 HG22 THR 112 HG22 THR 112 -3.004 1.704 -10.427 940 HG23 THR 112 HG23 THR 112 -2.194 3.049 -9.643 941 H MET 113 HN MET 113 -2.410 4.077 -7.124 942 HA MET 113 HA MET 113 -4.962 3.411 -5.825 943 HB2 MET 113 HB2 MET 113 -3.230 5.737 -4.891 944 HB3 MET 113 HB3 MET 113 -4.818 5.365 -4.337 945 HG2 MET 113 HG2 MET 113 -3.925 3.164 -3.425 946 HG3 MET 113 HG3 MET 113 -2.314 3.694 -3.847 947 HE1 MET 113 HE1 MET 113 -3.360 2.764 -0.915 948 HE2 MET 113 HE2 MET 113 -1.675 3.153 -1.298 949 HE3 MET 113 HE3 MET 113 -2.469 3.916 0.090 950 H THR 114 HN THR 114 -6.607 5.149 -6.185 951 HA THR 114 HA THR 114 -6.004 7.081 -8.323 952 HB THR 114 HB THR 114 -8.119 4.887 -8.658 953 HG1 THR 114 HG1 THR 114 -5.972 4.317 -9.182 954 HG21 THR 114 HG21 THR 114 -9.032 6.988 -9.638 955 HG22 THR 114 HG22 THR 114 -8.510 5.928 -10.930 956 HG23 THR 114 HG23 THR 114 -7.506 7.295 -10.459 957 H LEU 115 HN LEU 115 -6.642 8.892 -7.393 958 HA LEU 115 HA LEU 115 -9.251 9.036 -5.954 959 HB2 LEU 115 HB2 LEU 115 -7.244 9.318 -4.529 960 HB3 LEU 115 HB3 LEU 115 -6.597 10.517 -5.580 961 HG LEU 115 HG LEU 115 -8.316 12.119 -5.028 962 HD11 LEU 115 HD11 LEU 115 -10.387 11.481 -4.431 963 HD12 LEU 115 HD12 LEU 115 -9.786 11.153 -2.819 964 HD13 LEU 115 HD13 LEU 115 -9.880 9.861 -3.989 965 HD21 LEU 115 HD21 LEU 115 -7.289 12.812 -3.144 966 HD22 LEU 115 HD22 LEU 115 -6.271 11.400 -3.352 967 HD23 LEU 115 HD23 LEU 115 -7.627 11.344 -2.245 968 H GLY 116 HN GLY 116 -10.638 9.757 -7.552 969 HA2 GLY 116 HA2 GLY 116 -11.659 11.296 -8.918 970 HA3 GLY 116 HA1 GLY 116 -10.431 12.483 -8.507 971 H ASP 117 HN ASP 117 -8.992 12.997 -10.113 972 HA ASP 117 HA ASP 117 -8.382 11.070 -12.291 973 HB2 ASP 117 HB2 ASP 117 -8.487 14.096 -12.310 974 HB3 ASP 117 HB3 ASP 117 -7.507 13.283 -13.493 975 H ILE 118 HN ILE 118 -7.136 11.849 -9.385 976 HA ILE 118 HA ILE 118 -4.319 11.994 -10.318 977 HB ILE 118 HB ILE 118 -5.383 12.008 -7.463 978 HG12 ILE 118 HG12 ILE 118 -6.287 13.975 -8.462 979 HG13 ILE 118 HG13 ILE 118 -4.992 14.413 -7.403 980 HG21 ILE 118 HG21 ILE 118 -3.053 11.311 -7.505 981 HG22 ILE 118 HG22 ILE 118 -2.619 12.596 -8.623 982 HG23 ILE 118 HG23 ILE 118 -3.124 12.990 -6.990 983 HD11 ILE 118 HD11 ILE 118 -3.492 14.520 -9.584 984 HD12 ILE 118 HD12 ILE 118 -5.024 14.485 -10.449 985 HD13 ILE 118 HD13 ILE 118 -4.677 15.790 -9.325 986 H VAL 119 HN VAL 119 -4.128 9.955 -11.266 987 HA VAL 119 HA VAL 119 -4.347 7.509 -9.680 988 HB VAL 119 HB VAL 119 -2.871 8.083 -12.286 989 HG11 VAL 119 HG11 VAL 119 -2.837 5.578 -12.570 990 HG12 VAL 119 HG12 VAL 119 -1.823 6.108 -11.248 991 HG13 VAL 119 HG13 VAL 119 -3.403 5.402 -10.914 992 HG21 VAL 119 HG21 VAL 119 -4.730 6.876 -13.394 993 HG22 VAL 119 HG22 VAL 119 -5.566 6.725 -11.854 994 HG23 VAL 119 HG23 VAL 119 -5.320 8.311 -12.578 995 H PHE 120 HN PHE 120 -2.803 6.744 -8.353 996 HA PHE 120 HA PHE 120 -0.092 7.996 -8.213 997 HB2 PHE 120 HB2 PHE 120 -1.486 8.632 -6.303 998 HB3 PHE 120 HB3 PHE 120 -2.017 7.008 -6.080 999 HD1 PHE 120 HD1 PHE 120 -1.359 6.426 -3.896 1000 HD2 PHE 120 HD2 PHE 120 1.498 8.384 -6.471 1001 HE1 PHE 120 HE1 PHE 120 0.360 6.231 -2.162 1002 HE2 PHE 120 HE2 PHE 120 3.210 8.109 -4.732 1003 HZ PHE 120 HZ PHE 120 2.638 7.090 -2.569 1004 H LYS 121 HN LYS 121 1.634 6.515 -7.871 1005 HA LYS 121 HA LYS 121 1.025 3.645 -7.786 1006 HB2 LYS 121 HB2 LYS 121 0.901 4.393 -10.197 1007 HB3 LYS 121 HB3 LYS 121 2.545 4.922 -10.103 1008 HG2 LYS 121 HG2 LYS 121 2.108 2.077 -9.235 1009 HG3 LYS 121 HG3 LYS 121 1.532 2.376 -10.838 1010 HD2 LYS 121 HD2 LYS 121 4.366 2.973 -9.890 1011 HD3 LYS 121 HD3 LYS 121 3.887 1.526 -10.742 1012 HE2 LYS 121 HE2 LYS 121 3.127 2.996 -12.696 1013 HE3 LYS 121 HE3 LYS 121 3.769 4.387 -11.849 1014 HZ1 LYS 121 HZ1 LYS 121 5.311 3.598 -13.386 1015 HZ2 LYS 121 HZ2 LYS 121 5.304 2.063 -12.762 1016 HZ3 LYS 121 HZ3 LYS 121 5.920 3.325 -11.886 1017 H ARG 122 HN ARG 122 2.558 2.449 -6.877 1018 HA ARG 122 HA ARG 122 5.241 3.534 -6.320 1019 HB2 ARG 122 HB2 ARG 122 3.692 2.040 -4.174 1020 HB3 ARG 122 HB3 ARG 122 5.191 2.909 -4.027 1021 HG2 ARG 122 HG2 ARG 122 3.875 5.033 -4.436 1022 HG3 ARG 122 HG3 ARG 122 2.384 4.133 -4.361 1023 HD2 ARG 122 HD2 ARG 122 2.509 4.692 -2.068 1024 HD3 ARG 122 HD3 ARG 122 3.570 3.312 -2.037 1025 HE ARG 122 HE ARG 122 5.128 5.581 -2.700 1026 HH11 ARG 122 HH11 ARG 122 3.582 3.967 0.074 1027 HH12 ARG 122 HH12 ARG 122 4.662 4.685 1.238 1028 HH21 ARG 122 HH21 ARG 122 6.505 6.496 -1.175 1029 HH22 ARG 122 HH22 ARG 122 6.354 6.118 0.525 1030 H ILE 123 HN ILE 123 6.810 1.939 -6.116 1031 HA ILE 123 HA ILE 123 6.029 -0.909 -6.488 1032 HB ILE 123 HB ILE 123 8.481 0.427 -7.760 1033 HG12 ILE 123 HG12 ILE 123 7.118 -0.541 -9.913 1034 HG13 ILE 123 HG13 ILE 123 5.758 -0.120 -8.932 1035 HG21 ILE 123 HG21 ILE 123 7.440 -2.437 -7.988 1036 HG22 ILE 123 HG22 ILE 123 8.789 -1.772 -8.903 1037 HG23 ILE 123 HG23 ILE 123 8.920 -1.938 -7.172 1038 HD11 ILE 123 HD11 ILE 123 6.389 1.753 -10.412 1039 HD12 ILE 123 HD12 ILE 123 6.746 2.269 -8.768 1040 HD13 ILE 123 HD13 ILE 123 8.040 1.729 -9.835 1041 H SER 124 HN SER 124 7.026 -2.197 -5.045 1042 HA SER 124 HA SER 124 9.339 -1.230 -3.449 1043 HB2 SER 124 HB2 SER 124 6.779 -2.636 -2.503 1044 HB3 SER 124 HB3 SER 124 8.249 -2.578 -1.546 1045 HG SER 124 HG SER 124 6.811 -0.911 -1.034 1046 H LYS 125 HN LYS 125 10.693 -3.013 -2.649 1047 HA LYS 125 HA LYS 125 10.369 -5.628 -3.982 1048 HB2 LYS 125 HB2 LYS 125 11.652 -4.054 -5.512 1049 HB3 LYS 125 HB3 LYS 125 12.879 -3.908 -4.296 1050 HG2 LYS 125 HG2 LYS 125 12.260 -6.735 -4.994 1051 HG3 LYS 125 HG3 LYS 125 12.722 -5.779 -6.372 1052 HD2 LYS 125 HD2 LYS 125 14.824 -5.091 -5.212 1053 HD3 LYS 125 HD3 LYS 125 14.386 -6.084 -3.844 1054 HE2 LYS 125 HE2 LYS 125 14.401 -8.127 -5.296 1055 HE3 LYS 125 HE3 LYS 125 14.784 -7.142 -6.698 1056 HZ1 LYS 125 HZ1 LYS 125 16.468 -7.430 -4.318 1057 HZ2 LYS 125 HZ2 LYS 125 16.824 -6.505 -5.636 1058 HZ3 LYS 125 HZ3 LYS 125 16.719 -8.146 -5.782 1059 H ARG 126 HN ARG 126 11.373 -7.299 -2.952 1060 HA ARG 126 HA ARG 126 11.377 -7.249 -0.227 1061 HB2 ARG 126 HB2 ARG 126 11.001 -9.223 -1.655 1062 HB3 ARG 126 HB3 ARG 126 12.689 -9.234 -2.110 1063 HG2 ARG 126 HG2 ARG 126 13.293 -9.748 0.333 1064 HG3 ARG 126 HG3 ARG 126 11.586 -9.689 0.672 1065 HD2 ARG 126 HD2 ARG 126 12.646 -11.592 -1.411 1066 HD3 ARG 126 HD3 ARG 126 12.759 -12.037 0.274 1067 HE ARG 126 HE ARG 126 10.092 -11.165 -0.441 1068 HH11 ARG 126 HH11 ARG 126 12.298 -13.880 -1.082 1069 HH12 ARG 126 HH12 ARG 126 11.014 -15.038 -1.305 1070 HH21 ARG 126 HH21 ARG 126 8.420 -12.680 -0.835 1071 HH22 ARG 126 HH22 ARG 126 8.804 -14.331 -1.231 1072 H ILE 127 HN ILE 127 12.766 -7.156 1.430 1073 HA ILE 127 HA ILE 127 15.706 -6.783 0.990 1074 HB ILE 127 HB ILE 127 15.602 -5.309 3.041 1075 HG12 ILE 127 HG12 ILE 127 12.639 -4.908 2.445 1076 HG13 ILE 127 HG13 ILE 127 13.195 -5.981 3.692 1077 HG21 ILE 127 HG21 ILE 127 14.211 -4.117 0.615 1078 HG22 ILE 127 HG22 ILE 127 15.226 -3.279 1.797 1079 HG23 ILE 127 HG23 ILE 127 15.934 -4.451 0.716 1080 HD11 ILE 127 HD11 ILE 127 14.229 -4.171 4.955 1081 HD12 ILE 127 HD12 ILE 127 13.922 -3.009 3.667 1082 HD13 ILE 127 HD13 ILE 127 12.579 -3.704 4.555 Start of MODEL 4 1 H1 HIS -7 HN HIS -7 22.104 -11.442 2.939 2 HA HIS -7 HA HIS -7 19.835 -12.718 2.757 3 HB2 HIS -7 HB2 HIS -7 22.468 -13.938 1.540 4 HB3 HIS -7 HB3 HIS -7 20.875 -14.172 0.866 5 HD1 HIS -7 HD1 HIS -7 19.697 -11.531 0.329 6 HD2 HIS -7 HD2 HIS -7 23.861 -12.110 -0.053 7 HE1 HIS -7 HE1 HIS -7 20.628 -9.701 -1.148 8 H HIS -6 HN HIS -6 18.851 -14.694 3.073 9 HA HIS -6 HA HIS -6 20.309 -16.880 4.223 10 HB2 HIS -6 HB2 HIS -6 19.475 -15.046 6.154 11 HB3 HIS -6 HB3 HIS -6 18.109 -16.113 6.117 12 HD1 HIS -6 HD1 HIS -6 21.845 -16.065 6.785 13 HD2 HIS -6 HD2 HIS -6 18.584 -18.683 7.352 14 HE1 HIS -6 HE1 HIS -6 22.593 -17.958 8.292 15 H HIS -5 HN HIS -5 17.085 -15.447 3.590 16 HA HIS -5 HA HIS -5 15.246 -16.168 2.625 17 HB2 HIS -5 HB2 HIS -5 16.928 -18.385 1.343 18 HB3 HIS -5 HB3 HIS -5 15.387 -17.816 0.779 19 HD1 HIS -5 HD1 HIS -5 15.278 -15.528 -0.490 20 HD2 HIS -5 HD2 HIS -5 19.183 -16.683 0.617 21 HE1 HIS -5 HE1 HIS -5 16.926 -14.072 -1.737 22 H HIS -4 HN HIS -4 14.052 -18.597 2.022 23 HA HIS -4 HA HIS -4 14.167 -20.400 4.330 24 HB2 HIS -4 HB2 HIS -4 11.753 -18.656 3.684 25 HB3 HIS -4 HB3 HIS -4 11.567 -20.176 4.528 26 HD1 HIS -4 HD1 HIS -4 13.833 -19.967 6.648 27 HD2 HIS -4 HD2 HIS -4 11.169 -16.842 5.679 28 HE1 HIS -4 HE1 HIS -4 13.681 -18.406 8.630 29 H HIS -3 HN HIS -3 15.177 -21.185 2.157 30 HA HIS -3 HA HIS -3 15.243 -22.585 0.472 31 HB2 HIS -3 HB2 HIS -3 14.230 -24.767 0.875 32 HB3 HIS -3 HB3 HIS -3 14.841 -24.086 2.342 33 HD1 HIS -3 HD1 HIS -3 11.348 -23.923 0.669 34 HD2 HIS -3 HD2 HIS -3 13.116 -24.773 4.403 35 HE1 HIS -3 HE1 HIS -3 9.507 -24.457 2.317 36 H HIS -2 HN HIS -2 13.295 -20.402 -0.064 37 HA HIS -2 HA HIS -2 11.884 -19.674 -1.605 38 HB2 HIS -2 HB2 HIS -2 11.419 -22.393 -2.892 39 HB3 HIS -2 HB3 HIS -2 11.184 -20.816 -3.568 40 HD1 HIS -2 HD1 HIS -2 12.742 -23.112 -4.942 41 HD2 HIS -2 HD2 HIS -2 14.632 -20.034 -2.762 42 HE1 HIS -2 HE1 HIS -2 15.155 -22.967 -5.692 43 H VAL -1 HN VAL -1 10.163 -19.108 -0.359 44 HA VAL -1 HA VAL -1 8.334 -21.128 0.785 45 HB VAL -1 HB VAL -1 7.215 -19.139 1.790 46 HG11 VAL -1 HG11 VAL -1 10.176 -19.300 2.341 47 HG12 VAL -1 HG12 VAL -1 8.975 -18.606 3.426 48 HG13 VAL -1 HG13 VAL -1 8.938 -20.326 3.054 49 HG21 VAL -1 HG21 VAL -1 7.728 -17.356 0.126 50 HG22 VAL -1 HG22 VAL -1 8.221 -16.902 1.744 51 HG23 VAL -1 HG23 VAL -1 9.426 -17.422 0.575 52 H ALA 0 HN ALA 0 5.957 -20.571 0.625 53 HA ALA 0 HA ALA 0 4.923 -20.621 -2.002 54 HB1 ALA 0 HB1 ALA 0 3.606 -19.919 0.686 55 HB2 ALA 0 HB2 ALA 0 2.737 -20.361 -0.781 56 HB3 ALA 0 HB3 ALA 0 3.770 -21.538 0.015 57 H MET 1 HN MET 1 3.347 -19.089 -2.913 58 HA MET 1 HA MET 1 4.342 -16.412 -3.176 59 HB2 MET 1 HB2 MET 1 2.468 -16.202 -4.801 60 HB3 MET 1 HB3 MET 1 3.466 -17.586 -5.079 61 HG2 MET 1 HG2 MET 1 1.828 -19.122 -4.580 62 HG3 MET 1 HG3 MET 1 1.068 -18.151 -3.357 63 HE1 MET 1 HE1 MET 1 -1.519 -16.005 -5.104 64 HE2 MET 1 HE2 MET 1 -0.804 -16.564 -3.590 65 HE3 MET 1 HE3 MET 1 0.076 -15.422 -4.622 66 H SER 2 HN SER 2 3.775 -16.627 -0.472 67 HA SER 2 HA SER 2 1.227 -15.285 0.090 68 HB2 SER 2 HB2 SER 2 3.585 -16.234 1.813 69 HB3 SER 2 HB3 SER 2 2.221 -15.338 2.463 70 HG SER 2 HG SER 2 2.089 -17.817 1.120 71 H PHE 3 HN PHE 3 1.024 -13.169 0.756 72 HA PHE 3 HA PHE 3 2.854 -11.179 -0.170 73 HB2 PHE 3 HB2 PHE 3 0.470 -11.071 1.728 74 HB3 PHE 3 HB3 PHE 3 1.348 -9.666 1.213 75 HD1 PHE 3 HD1 PHE 3 0.848 -8.523 -0.809 76 HD2 PHE 3 HD2 PHE 3 -0.735 -12.489 -0.148 77 HE1 PHE 3 HE1 PHE 3 -0.719 -8.240 -2.687 78 HE2 PHE 3 HE2 PHE 3 -2.275 -12.167 -2.033 79 HZ PHE 3 HZ PHE 3 -2.314 -10.028 -3.249 80 H SER 4 HN SER 4 2.758 -13.000 2.781 81 HA SER 4 HA SER 4 3.728 -11.366 4.736 82 HB2 SER 4 HB2 SER 4 4.393 -13.442 5.852 83 HB3 SER 4 HB3 SER 4 2.819 -13.585 5.106 84 HG SER 4 HG SER 4 5.266 -14.513 4.009 85 H GLY 5 HN GLY 5 5.458 -10.030 4.741 86 HA2 GLY 5 HA2 GLY 5 8.105 -10.716 4.848 87 HA3 GLY 5 HA1 GLY 5 7.834 -10.522 3.115 88 H LYS 6 HN LYS 6 9.589 -8.853 4.223 89 HA LYS 6 HA LYS 6 8.263 -6.206 4.576 90 HB2 LYS 6 HB2 LYS 6 9.732 -7.142 6.413 91 HB3 LYS 6 HB3 LYS 6 11.088 -7.087 5.319 92 HG2 LYS 6 HG2 LYS 6 10.691 -4.570 5.085 93 HG3 LYS 6 HG3 LYS 6 9.413 -4.687 6.244 94 HD2 LYS 6 HD2 LYS 6 12.359 -5.325 6.731 95 HD3 LYS 6 HD3 LYS 6 11.540 -3.884 7.244 96 HE2 LYS 6 HE2 LYS 6 10.972 -6.714 8.294 97 HE3 LYS 6 HE3 LYS 6 11.856 -5.458 9.129 98 HZ1 LYS 6 HZ1 LYS 6 9.880 -4.122 9.147 99 HZ2 LYS 6 HZ2 LYS 6 9.621 -5.579 9.875 100 HZ3 LYS 6 HZ3 LYS 6 9.034 -5.301 8.361 101 H TYR 7 HN TYR 7 8.832 -4.528 3.249 102 HA TYR 7 HA TYR 7 10.547 -5.035 0.877 103 HB2 TYR 7 HB2 TYR 7 7.733 -3.829 0.791 104 HB3 TYR 7 HB3 TYR 7 8.747 -4.223 -0.569 105 HD1 TYR 7 HD1 TYR 7 8.979 -6.567 -1.341 106 HD2 TYR 7 HD2 TYR 7 6.409 -5.536 1.967 107 HE1 TYR 7 HE1 TYR 7 7.989 -8.833 -1.413 108 HE2 TYR 7 HE2 TYR 7 5.376 -7.785 1.856 109 HH TYR 7 HH TYR 7 5.387 -9.854 0.831 110 H GLN 8 HN GLN 8 11.078 -2.996 -0.296 111 HA GLN 8 HA GLN 8 10.669 -0.500 1.243 112 HB2 GLN 8 HB2 GLN 8 12.871 -1.398 1.948 113 HB3 GLN 8 HB3 GLN 8 13.380 -1.514 0.282 114 HG2 GLN 8 HG2 GLN 8 13.192 1.019 0.074 115 HG3 GLN 8 HG3 GLN 8 12.694 1.090 1.749 116 HE21 GLN 8 HE21 GLN 8 15.379 0.873 -0.444 117 HE22 GLN 8 HE22 GLN 8 16.638 0.820 0.763 118 H LEU 9 HN LEU 9 10.479 1.276 0.077 119 HA LEU 9 HA LEU 9 9.431 1.333 -2.457 120 HB2 LEU 9 HB2 LEU 9 9.256 3.062 -0.620 121 HB3 LEU 9 HB3 LEU 9 10.908 3.508 -0.913 122 HG LEU 9 HG LEU 9 10.178 4.129 -3.313 123 HD11 LEU 9 HD11 LEU 9 7.443 4.731 -2.881 124 HD12 LEU 9 HD12 LEU 9 7.617 3.069 -2.344 125 HD13 LEU 9 HD13 LEU 9 8.101 3.521 -3.965 126 HD21 LEU 9 HD21 LEU 9 10.482 5.715 -1.230 127 HD22 LEU 9 HD22 LEU 9 8.742 5.900 -1.351 128 HD23 LEU 9 HD23 LEU 9 9.772 6.313 -2.717 129 H GLN 10 HN GLN 10 10.256 0.992 -4.386 130 HA GLN 10 HA GLN 10 13.135 1.409 -4.986 131 HB2 GLN 10 HB2 GLN 10 10.876 0.111 -6.603 132 HB3 GLN 10 HB3 GLN 10 12.545 0.184 -7.080 133 HG2 GLN 10 HG2 GLN 10 11.414 -1.369 -4.707 134 HG3 GLN 10 HG3 GLN 10 11.999 -2.035 -6.205 135 HE21 GLN 10 HE21 GLN 10 12.851 -1.445 -3.008 136 HE22 GLN 10 HE22 GLN 10 14.586 -1.550 -3.174 137 H SER 11 HN SER 11 9.825 2.393 -5.999 138 HA SER 11 HA SER 11 10.699 4.902 -7.150 139 HB2 SER 11 HB2 SER 11 10.197 2.430 -8.881 140 HB3 SER 11 HB3 SER 11 9.640 3.977 -9.474 141 HG SER 11 HG SER 11 12.282 3.468 -8.642 142 H GLN 12 HN GLN 12 8.904 6.143 -8.032 143 HA GLN 12 HA GLN 12 6.235 5.179 -7.811 144 HB2 GLN 12 HB2 GLN 12 5.457 6.809 -6.071 145 HB3 GLN 12 HB3 GLN 12 6.458 5.536 -5.451 146 HG2 GLN 12 HG2 GLN 12 8.440 7.164 -5.469 147 HG3 GLN 12 HG3 GLN 12 7.337 8.430 -5.965 148 HE21 GLN 12 HE21 GLN 12 8.638 9.057 -3.774 149 HE22 GLN 12 HE22 GLN 12 7.690 8.827 -2.331 150 H GLU 13 HN GLU 13 4.705 6.528 -8.741 151 HA GLU 13 HA GLU 13 5.735 8.803 -10.386 152 HB2 GLU 13 HB2 GLU 13 5.086 6.560 -11.567 153 HB3 GLU 13 HB3 GLU 13 3.469 6.848 -10.993 154 HG2 GLU 13 HG2 GLU 13 3.517 7.526 -13.263 155 HG3 GLU 13 HG3 GLU 13 3.310 8.960 -12.299 156 H ASN 14 HN ASN 14 4.474 10.647 -10.356 157 HA ASN 14 HA ASN 14 3.107 12.216 -9.626 158 HB2 ASN 14 HB2 ASN 14 1.017 9.973 -9.772 159 HB3 ASN 14 HB3 ASN 14 0.618 11.664 -9.666 160 HD21 ASN 14 HD21 ASN 14 0.139 9.588 -11.823 161 HD22 ASN 14 HD22 ASN 14 0.678 10.392 -13.279 162 H PHE 15 HN PHE 15 4.596 11.088 -7.523 163 HA PHE 15 HA PHE 15 3.081 10.535 -5.211 164 HB2 PHE 15 HB2 PHE 15 5.377 9.898 -5.265 165 HB3 PHE 15 HB3 PHE 15 5.928 11.516 -5.594 166 HD1 PHE 15 HD1 PHE 15 4.540 9.260 -2.975 167 HD2 PHE 15 HD2 PHE 15 6.067 13.215 -3.770 168 HE1 PHE 15 HE1 PHE 15 4.688 9.709 -0.563 169 HE2 PHE 15 HE2 PHE 15 6.109 13.653 -1.356 170 HZ PHE 15 HZ PHE 15 5.476 11.903 0.247 171 H GLU 16 HN GLU 16 4.485 13.682 -6.255 172 HA GLU 16 HA GLU 16 3.525 15.097 -4.005 173 HB2 GLU 16 HB2 GLU 16 4.324 16.158 -6.749 174 HB3 GLU 16 HB3 GLU 16 4.148 17.114 -5.300 175 HG2 GLU 16 HG2 GLU 16 5.991 15.719 -4.212 176 HG3 GLU 16 HG3 GLU 16 6.210 14.880 -5.726 177 H ALA 17 HN ALA 17 1.969 14.353 -7.103 178 HA ALA 17 HA ALA 17 -0.240 16.161 -6.845 179 HB1 ALA 17 HB1 ALA 17 0.420 15.167 -9.016 180 HB2 ALA 17 HB2 ALA 17 0.048 13.553 -8.419 181 HB3 ALA 17 HB3 ALA 17 -1.241 14.733 -8.629 182 H PHE 18 HN PHE 18 0.301 12.736 -5.884 183 HA PHE 18 HA PHE 18 -2.377 12.361 -4.885 184 HB2 PHE 18 HB2 PHE 18 -1.099 10.572 -5.884 185 HB3 PHE 18 HB3 PHE 18 0.151 10.678 -4.680 186 HD1 PHE 18 HD1 PHE 18 -0.148 9.631 -2.471 187 HD2 PHE 18 HD2 PHE 18 -3.447 9.815 -5.243 188 HE1 PHE 18 HE1 PHE 18 -1.447 8.088 -1.058 189 HE2 PHE 18 HE2 PHE 18 -4.716 8.277 -3.806 190 HZ PHE 18 HZ PHE 18 -3.715 7.404 -1.724 191 H MET 19 HN MET 19 0.792 12.976 -3.311 192 HA MET 19 HA MET 19 -0.204 12.783 -0.671 193 HB2 MET 19 HB2 MET 19 2.261 12.689 -1.665 194 HB3 MET 19 HB3 MET 19 2.256 14.383 -1.386 195 HG2 MET 19 HG2 MET 19 3.030 13.689 0.687 196 HG3 MET 19 HG3 MET 19 1.343 13.560 1.062 197 HE1 MET 19 HE1 MET 19 0.341 10.670 -0.117 198 HE2 MET 19 HE2 MET 19 1.690 10.600 -1.267 199 HE3 MET 19 HE3 MET 19 1.539 9.382 -0.017 200 H LYS 20 HN LYS 20 -0.210 15.418 -2.998 201 HA LYS 20 HA LYS 20 -1.073 17.484 -1.153 202 HB2 LYS 20 HB2 LYS 20 0.161 18.058 -3.140 203 HB3 LYS 20 HB3 LYS 20 -0.945 17.201 -4.168 204 HG2 LYS 20 HG2 LYS 20 -2.256 19.374 -2.617 205 HG3 LYS 20 HG3 LYS 20 -0.951 19.945 -3.590 206 HD2 LYS 20 HD2 LYS 20 -3.271 18.259 -4.658 207 HD3 LYS 20 HD3 LYS 20 -3.221 19.992 -4.721 208 HE2 LYS 20 HE2 LYS 20 -1.281 18.105 -6.175 209 HE3 LYS 20 HE3 LYS 20 -2.589 19.006 -6.900 210 HZ1 LYS 20 HZ1 LYS 20 -0.249 20.183 -5.586 211 HZ2 LYS 20 HZ2 LYS 20 -1.485 21.030 -6.274 212 HZ3 LYS 20 HZ3 LYS 20 -0.509 20.086 -7.210 213 H ALA 21 HN ALA 21 -2.674 15.211 -3.457 214 HA ALA 21 HA ALA 21 -5.275 16.270 -3.223 215 HB1 ALA 21 HB1 ALA 21 -5.957 14.121 -4.329 216 HB2 ALA 21 HB2 ALA 21 -4.600 14.887 -5.130 217 HB3 ALA 21 HB3 ALA 21 -4.334 13.492 -4.089 218 H ILE 22 HN ILE 22 -3.655 13.744 -1.249 219 HA ILE 22 HA ILE 22 -6.048 13.008 0.188 220 HB ILE 22 HB ILE 22 -4.500 11.939 1.800 221 HG12 ILE 22 HG12 ILE 22 -2.235 12.891 0.039 222 HG13 ILE 22 HG13 ILE 22 -2.578 13.579 1.587 223 HG21 ILE 22 HG21 ILE 22 -3.783 10.135 0.326 224 HG22 ILE 22 HG22 ILE 22 -5.328 10.746 -0.229 225 HG23 ILE 22 HG23 ILE 22 -3.858 11.186 -1.083 226 HD11 ILE 22 HD11 ILE 22 -0.758 11.994 1.827 227 HD12 ILE 22 HD12 ILE 22 -2.168 11.421 2.707 228 HD13 ILE 22 HD13 ILE 22 -1.730 10.690 1.157 229 H GLY 23 HN GLY 23 -3.811 15.699 0.504 230 HA2 GLY 23 HA2 GLY 23 -4.348 17.618 1.700 231 HA3 GLY 23 HA1 GLY 23 -5.385 16.737 2.796 232 H LEU 24 HN LEU 24 -2.089 15.474 2.118 233 HA LEU 24 HA LEU 24 -1.184 15.978 4.822 234 HB2 LEU 24 HB2 LEU 24 -0.293 14.424 2.479 235 HB3 LEU 24 HB3 LEU 24 1.032 15.354 3.092 236 HG LEU 24 HG LEU 24 0.606 14.419 5.374 237 HD11 LEU 24 HD11 LEU 24 -1.336 13.395 5.829 238 HD12 LEU 24 HD12 LEU 24 -0.847 12.037 4.835 239 HD13 LEU 24 HD13 LEU 24 -1.797 13.334 4.136 240 HD21 LEU 24 HD21 LEU 24 2.111 13.350 3.362 241 HD22 LEU 24 HD22 LEU 24 1.126 11.964 3.788 242 HD23 LEU 24 HD23 LEU 24 2.095 12.772 5.013 243 HA PRO 25 HA PRO 25 0.323 20.134 3.984 244 HB2 PRO 25 HB2 PRO 25 2.289 20.399 5.902 245 HB3 PRO 25 HB3 PRO 25 0.574 20.343 6.285 246 HG2 PRO 25 HG2 PRO 25 2.534 18.039 6.326 247 HG3 PRO 25 HG3 PRO 25 1.466 18.532 7.640 248 HD2 PRO 25 HD2 PRO 25 0.757 16.541 5.964 249 HD3 PRO 25 HD3 PRO 25 -0.478 17.715 6.439 250 H GLU 26 HN GLU 26 1.838 21.116 2.691 251 HA GLU 26 HA GLU 26 3.348 19.564 0.977 252 HB2 GLU 26 HB2 GLU 26 2.307 21.734 0.483 253 HB3 GLU 26 HB3 GLU 26 3.476 22.552 1.480 254 HG2 GLU 26 HG2 GLU 26 5.314 21.895 -0.082 255 HG3 GLU 26 HG3 GLU 26 4.197 20.929 -1.022 256 H GLU 27 HN GLU 27 4.412 20.892 4.031 257 HA GLU 27 HA GLU 27 7.205 20.712 3.739 258 HB2 GLU 27 HB2 GLU 27 5.847 21.781 5.616 259 HB3 GLU 27 HB3 GLU 27 5.449 20.200 6.197 260 HG2 GLU 27 HG2 GLU 27 7.242 21.038 7.562 261 HG3 GLU 27 HG3 GLU 27 7.929 19.756 6.604 262 H LEU 28 HN LEU 28 4.792 18.236 4.780 263 HA LEU 28 HA LEU 28 6.755 16.107 4.986 264 HB2 LEU 28 HB2 LEU 28 3.702 16.125 5.076 265 HB3 LEU 28 HB3 LEU 28 4.663 14.702 5.348 266 HG LEU 28 HG LEU 28 4.771 17.212 7.053 267 HD11 LEU 28 HD11 LEU 28 3.810 14.799 8.425 268 HD12 LEU 28 HD12 LEU 28 2.791 15.210 7.064 269 HD13 LEU 28 HD13 LEU 28 3.099 16.402 8.312 270 HD21 LEU 28 HD21 LEU 28 5.983 15.188 8.561 271 HD22 LEU 28 HD22 LEU 28 6.812 16.465 7.697 272 HD23 LEU 28 HD23 LEU 28 6.606 14.886 6.953 273 H ILE 29 HN ILE 29 5.007 17.478 2.306 274 HA ILE 29 HA ILE 29 5.173 15.090 0.633 275 HB ILE 29 HB ILE 29 4.842 18.011 -0.193 276 HG12 ILE 29 HG12 ILE 29 2.726 15.867 0.188 277 HG13 ILE 29 HG13 ILE 29 2.951 17.226 1.216 278 HG21 ILE 29 HG21 ILE 29 5.718 16.683 -2.088 279 HG22 ILE 29 HG22 ILE 29 4.458 15.478 -1.846 280 HG23 ILE 29 HG23 ILE 29 4.060 17.105 -2.387 281 HD11 ILE 29 HD11 ILE 29 1.794 17.163 -1.563 282 HD12 ILE 29 HD12 ILE 29 1.203 17.991 -0.126 283 HD13 ILE 29 HD13 ILE 29 2.562 18.652 -1.030 284 H GLN 30 HN GLN 30 7.002 18.222 0.912 285 HA GLN 30 HA GLN 30 9.027 17.453 -0.935 286 HB2 GLN 30 HB2 GLN 30 9.003 19.640 1.210 287 HB3 GLN 30 HB3 GLN 30 10.210 19.492 -0.031 288 HG2 GLN 30 HG2 GLN 30 7.307 20.305 -0.366 289 HG3 GLN 30 HG3 GLN 30 8.730 21.198 -0.780 290 HE21 GLN 30 HE21 GLN 30 6.166 19.631 -2.116 291 HE22 GLN 30 HE22 GLN 30 6.871 19.081 -3.618 292 H LYS 31 HN LYS 31 8.781 16.887 2.539 293 HA LYS 31 HA LYS 31 11.549 15.958 2.756 294 HB2 LYS 31 HB2 LYS 31 9.153 15.891 4.633 295 HB3 LYS 31 HB3 LYS 31 10.699 15.194 5.036 296 HG2 LYS 31 HG2 LYS 31 11.835 17.333 4.925 297 HG3 LYS 31 HG3 LYS 31 10.454 18.122 4.232 298 HD2 LYS 31 HD2 LYS 31 10.522 18.764 6.530 299 HD3 LYS 31 HD3 LYS 31 9.151 17.710 6.333 300 HE2 LYS 31 HE2 LYS 31 10.426 15.798 7.318 301 HE3 LYS 31 HE3 LYS 31 11.852 16.814 7.462 302 HZ1 LYS 31 HZ1 LYS 31 10.648 16.691 9.497 303 HZ2 LYS 31 HZ2 LYS 31 9.280 17.285 8.792 304 HZ3 LYS 31 HZ3 LYS 31 10.618 18.239 8.928 305 H GLY 32 HN GLY 32 8.263 14.481 2.603 306 HA2 GLY 32 HA2 GLY 32 9.106 11.818 3.131 307 HA3 GLY 32 HA1 GLY 32 7.539 12.342 2.565 308 H LYS 33 HN LYS 33 8.940 13.613 0.053 309 HA LYS 33 HA LYS 33 8.585 11.420 -1.714 310 HB2 LYS 33 HB2 LYS 33 9.215 12.968 -3.442 311 HB3 LYS 33 HB3 LYS 33 8.215 13.816 -2.312 312 HG2 LYS 33 HG2 LYS 33 10.316 14.819 -1.287 313 HG3 LYS 33 HG3 LYS 33 11.254 14.037 -2.535 314 HD2 LYS 33 HD2 LYS 33 9.842 15.250 -4.274 315 HD3 LYS 33 HD3 LYS 33 9.108 16.149 -2.972 316 HE2 LYS 33 HE2 LYS 33 11.348 17.061 -2.306 317 HE3 LYS 33 HE3 LYS 33 12.117 16.102 -3.561 318 HZ1 LYS 33 HZ1 LYS 33 11.772 18.302 -4.300 319 HZ2 LYS 33 HZ2 LYS 33 10.159 18.240 -3.976 320 HZ3 LYS 33 HZ3 LYS 33 10.793 17.305 -5.180 321 H ASP 34 HN ASP 34 11.440 12.655 -0.080 322 HA ASP 34 HA ASP 34 13.332 11.419 -1.911 323 HB2 ASP 34 HB2 ASP 34 13.352 13.779 -0.664 324 HB3 ASP 34 HB3 ASP 34 14.022 12.869 0.680 325 H ILE 35 HN ILE 35 11.779 10.557 1.066 326 HA ILE 35 HA ILE 35 13.835 9.078 2.348 327 HB ILE 35 HB ILE 35 10.795 8.850 2.540 328 HG12 ILE 35 HG12 ILE 35 11.509 11.125 2.987 329 HG13 ILE 35 HG13 ILE 35 10.816 10.375 4.364 330 HG21 ILE 35 HG21 ILE 35 11.652 6.872 3.655 331 HG22 ILE 35 HG22 ILE 35 12.864 7.806 4.522 332 HG23 ILE 35 HG23 ILE 35 11.152 7.996 4.883 333 HD11 ILE 35 HD11 ILE 35 13.152 10.025 5.330 334 HD12 ILE 35 HD12 ILE 35 13.820 10.838 3.912 335 HD13 ILE 35 HD13 ILE 35 12.781 11.713 5.025 336 H LYS 36 HN LYS 36 14.318 6.928 2.421 337 HA LYS 36 HA LYS 36 13.486 5.098 0.294 338 HB2 LYS 36 HB2 LYS 36 15.235 4.653 2.769 339 HB3 LYS 36 HB3 LYS 36 15.118 3.596 1.391 340 HG2 LYS 36 HG2 LYS 36 16.337 6.399 1.446 341 HG3 LYS 36 HG3 LYS 36 17.201 4.894 1.435 342 HD2 LYS 36 HD2 LYS 36 16.230 4.377 -0.845 343 HD3 LYS 36 HD3 LYS 36 15.461 5.948 -0.841 344 HE2 LYS 36 HE2 LYS 36 17.703 7.063 -0.630 345 HE3 LYS 36 HE3 LYS 36 18.487 5.491 -0.640 346 HZ1 LYS 36 HZ1 LYS 36 16.856 6.600 -2.810 347 HZ2 LYS 36 HZ2 LYS 36 17.587 5.120 -2.826 348 HZ3 LYS 36 HZ3 LYS 36 18.501 6.492 -2.782 349 H GLY 37 HN GLY 37 11.161 5.470 1.056 350 HA2 GLY 37 HA2 GLY 37 10.114 4.823 3.544 351 HA3 GLY 37 HA1 GLY 37 9.220 4.807 2.031 352 H VAL 38 HN VAL 38 9.301 2.954 4.518 353 HA VAL 38 HA VAL 38 10.022 0.351 3.231 354 HB VAL 38 HB VAL 38 9.804 1.159 6.159 355 HG11 VAL 38 HG11 VAL 38 10.583 -1.554 4.998 356 HG12 VAL 38 HG12 VAL 38 10.802 -1.079 6.674 357 HG13 VAL 38 HG13 VAL 38 9.188 -1.220 6.023 358 HG21 VAL 38 HG21 VAL 38 11.838 2.103 5.159 359 HG22 VAL 38 HG22 VAL 38 12.271 0.775 6.216 360 HG23 VAL 38 HG23 VAL 38 12.266 0.540 4.470 361 H SER 39 HN SER 39 8.569 -1.309 3.228 362 HA SER 39 HA SER 39 5.873 -0.883 4.389 363 HB2 SER 39 HB2 SER 39 5.766 -0.556 1.920 364 HB3 SER 39 HB3 SER 39 6.524 -2.111 1.661 365 HG SER 39 HG SER 39 4.278 -2.249 1.493 366 H GLU 40 HN GLU 40 4.862 -2.804 5.095 367 HA GLU 40 HA GLU 40 6.357 -5.323 5.080 368 HB2 GLU 40 HB2 GLU 40 6.656 -3.744 7.320 369 HB3 GLU 40 HB3 GLU 40 5.136 -4.474 7.718 370 HG2 GLU 40 HG2 GLU 40 7.685 -6.026 7.102 371 HG3 GLU 40 HG3 GLU 40 7.092 -5.641 8.701 372 H ILE 41 HN ILE 41 4.906 -7.049 4.955 373 HA ILE 41 HA ILE 41 2.023 -6.448 5.284 374 HB ILE 41 HB ILE 41 3.061 -8.151 2.986 375 HG12 ILE 41 HG12 ILE 41 2.104 -5.289 2.702 376 HG13 ILE 41 HG13 ILE 41 3.764 -5.780 2.563 377 HG21 ILE 41 HG21 ILE 41 0.299 -7.033 3.660 378 HG22 ILE 41 HG22 ILE 41 0.649 -7.843 2.159 379 HG23 ILE 41 HG23 ILE 41 0.767 -8.730 3.662 380 HD11 ILE 41 HD11 ILE 41 3.131 -5.698 0.334 381 HD12 ILE 41 HD12 ILE 41 2.988 -7.418 0.683 382 HD13 ILE 41 HD13 ILE 41 1.550 -6.404 0.607 383 H VAL 42 HN VAL 42 0.949 -8.087 6.239 384 HA VAL 42 HA VAL 42 2.367 -10.659 6.825 385 HB VAL 42 HB VAL 42 0.275 -9.223 8.542 386 HG11 VAL 42 HG11 VAL 42 1.916 -11.725 9.126 387 HG12 VAL 42 HG12 VAL 42 0.889 -10.895 10.291 388 HG13 VAL 42 HG13 VAL 42 0.174 -11.641 8.879 389 HG21 VAL 42 HG21 VAL 42 2.310 -7.895 8.733 390 HG22 VAL 42 HG22 VAL 42 2.110 -8.819 10.206 391 HG23 VAL 42 HG23 VAL 42 3.287 -9.339 9.001 392 H GLN 43 HN GLN 43 1.152 -12.474 6.367 393 HA GLN 43 HA GLN 43 -1.717 -12.158 5.610 394 HB2 GLN 43 HB2 GLN 43 -0.373 -12.469 3.588 395 HB3 GLN 43 HB3 GLN 43 0.389 -13.893 4.244 396 HG2 GLN 43 HG2 GLN 43 -1.769 -15.118 4.257 397 HG3 GLN 43 HG3 GLN 43 -2.639 -13.659 3.837 398 HE21 GLN 43 HE21 GLN 43 -3.443 -15.246 2.129 399 HE22 GLN 43 HE22 GLN 43 -2.542 -15.316 0.636 400 H ASN 44 HN ASN 44 -2.816 -12.996 7.205 401 HA ASN 44 HA ASN 44 -1.922 -15.481 8.589 402 HB2 ASN 44 HB2 ASN 44 -3.352 -12.988 9.683 403 HB3 ASN 44 HB3 ASN 44 -3.230 -14.497 10.559 404 HD21 ASN 44 HD21 ASN 44 -2.265 -11.978 11.505 405 HD22 ASN 44 HD22 ASN 44 -0.545 -12.160 11.729 406 H GLY 45 HN GLY 45 -3.054 -16.293 6.560 407 HA2 GLY 45 HA2 GLY 45 -4.802 -17.527 5.740 408 HA3 GLY 45 HA1 GLY 45 -5.720 -17.211 7.204 409 H LYS 46 HN LYS 46 -7.579 -16.087 6.790 410 HA LYS 46 HA LYS 46 -8.030 -14.482 4.414 411 HB2 LYS 46 HB2 LYS 46 -9.668 -14.776 6.978 412 HB3 LYS 46 HB3 LYS 46 -10.218 -14.029 5.505 413 HG2 LYS 46 HG2 LYS 46 -9.580 -16.990 5.881 414 HG3 LYS 46 HG3 LYS 46 -11.144 -16.256 5.768 415 HD2 LYS 46 HD2 LYS 46 -11.029 -16.917 3.600 416 HD3 LYS 46 HD3 LYS 46 -10.230 -15.388 3.391 417 HE2 LYS 46 HE2 LYS 46 -7.977 -16.543 3.545 418 HE3 LYS 46 HE3 LYS 46 -8.801 -18.071 3.772 419 HZ1 LYS 46 HZ1 LYS 46 -9.033 -16.329 1.424 420 HZ2 LYS 46 HZ2 LYS 46 -9.805 -17.773 1.624 421 HZ3 LYS 46 HZ3 LYS 46 -8.159 -17.724 1.523 422 H HIS 47 HN HIS 47 -7.020 -13.823 7.765 423 HA HIS 47 HA HIS 47 -7.445 -10.978 7.584 424 HB2 HIS 47 HB2 HIS 47 -7.425 -12.336 9.728 425 HB3 HIS 47 HB3 HIS 47 -5.698 -12.505 9.564 426 HD1 HIS 47 HD1 HIS 47 -8.319 -9.694 9.729 427 HD2 HIS 47 HD2 HIS 47 -4.287 -10.354 10.784 428 HE1 HIS 47 HE1 HIS 47 -7.473 -7.655 10.967 429 H PHE 48 HN PHE 48 -6.019 -9.402 7.104 430 HA PHE 48 HA PHE 48 -3.216 -10.045 6.361 431 HB2 PHE 48 HB2 PHE 48 -5.284 -8.326 4.937 432 HB3 PHE 48 HB3 PHE 48 -3.590 -7.984 4.752 433 HD1 PHE 48 HD1 PHE 48 -6.266 -10.377 3.902 434 HD2 PHE 48 HD2 PHE 48 -2.047 -9.535 3.595 435 HE1 PHE 48 HE1 PHE 48 -6.042 -12.056 2.108 436 HE2 PHE 48 HE2 PHE 48 -1.861 -11.223 1.816 437 HZ PHE 48 HZ PHE 48 -3.847 -12.460 1.057 438 H LYS 49 HN LYS 49 -1.744 -8.413 6.837 439 HA LYS 49 HA LYS 49 -2.814 -5.930 8.030 440 HB2 LYS 49 HB2 LYS 49 -1.655 -7.616 9.785 441 HB3 LYS 49 HB3 LYS 49 -0.183 -7.034 9.054 442 HG2 LYS 49 HG2 LYS 49 -1.498 -4.632 9.468 443 HG3 LYS 49 HG3 LYS 49 -2.279 -5.611 10.656 444 HD2 LYS 49 HD2 LYS 49 0.701 -5.011 10.446 445 HD3 LYS 49 HD3 LYS 49 -0.426 -4.325 11.583 446 HE2 LYS 49 HE2 LYS 49 -0.775 -6.610 12.606 447 HE3 LYS 49 HE3 LYS 49 0.439 -7.261 11.517 448 HZ1 LYS 49 HZ1 LYS 49 2.014 -5.718 12.449 449 HZ2 LYS 49 HZ2 LYS 49 1.359 -6.669 13.631 450 HZ3 LYS 49 HZ3 LYS 49 0.867 -5.102 13.453 451 H PHE 50 HN PHE 50 -1.727 -4.135 7.375 452 HA PHE 50 HA PHE 50 0.769 -4.434 5.781 453 HB2 PHE 50 HB2 PHE 50 -1.611 -2.610 5.311 454 HB3 PHE 50 HB3 PHE 50 -0.023 -2.089 4.849 455 HD1 PHE 50 HD1 PHE 50 -2.325 -5.059 4.389 456 HD2 PHE 50 HD2 PHE 50 0.793 -2.595 2.701 457 HE1 PHE 50 HE1 PHE 50 -2.479 -6.285 2.266 458 HE2 PHE 50 HE2 PHE 50 0.586 -3.827 0.584 459 HZ PHE 50 HZ PHE 50 -1.046 -5.671 0.370 460 H THR 51 HN THR 51 2.358 -3.001 6.298 461 HA THR 51 HA THR 51 1.835 -0.848 8.249 462 HB THR 51 HB THR 51 4.449 -2.448 8.120 463 HG1 THR 51 HG1 THR 51 2.774 -3.637 9.089 464 HG21 THR 51 HG21 THR 51 4.813 -0.100 8.886 465 HG22 THR 51 HG22 THR 51 5.037 -1.225 10.213 466 HG23 THR 51 HG23 THR 51 3.550 -0.294 10.095 467 H ILE 52 HN ILE 52 2.640 1.115 7.432 468 HA ILE 52 HA ILE 52 4.576 1.033 5.172 469 HB ILE 52 HB ILE 52 2.024 2.698 5.132 470 HG12 ILE 52 HG12 ILE 52 2.719 0.376 3.301 471 HG13 ILE 52 HG13 ILE 52 1.564 0.287 4.598 472 HG21 ILE 52 HG21 ILE 52 2.782 3.416 2.860 473 HG22 ILE 52 HG22 ILE 52 3.946 3.889 4.067 474 HG23 ILE 52 HG23 ILE 52 4.262 2.483 3.056 475 HD11 ILE 52 HD11 ILE 52 1.250 1.707 1.978 476 HD12 ILE 52 HD12 ILE 52 0.112 0.703 2.865 477 HD13 ILE 52 HD13 ILE 52 0.400 2.360 3.379 478 H THR 53 HN THR 53 6.258 2.063 5.972 479 HA THR 53 HA THR 53 5.930 4.258 7.957 480 HB THR 53 HB THR 53 8.272 2.408 7.292 481 HG1 THR 53 HG1 THR 53 6.599 1.469 8.454 482 HG21 THR 53 HG21 THR 53 8.129 4.613 9.417 483 HG22 THR 53 HG22 THR 53 9.271 4.533 8.079 484 HG23 THR 53 HG23 THR 53 9.357 3.353 9.369 485 H ALA 54 HN ALA 54 6.734 6.245 7.531 486 HA ALA 54 HA ALA 54 8.391 6.735 5.109 487 HB1 ALA 54 HB1 ALA 54 7.055 8.727 4.589 488 HB2 ALA 54 HB2 ALA 54 5.982 7.342 4.649 489 HB3 ALA 54 HB3 ALA 54 6.028 8.469 5.996 490 H GLY 55 HN GLY 55 8.638 9.488 5.551 491 HA2 GLY 55 HA2 GLY 55 11.061 9.483 6.859 492 HA3 GLY 55 HA1 GLY 55 10.149 10.915 6.423 493 H SER 56 HN SER 56 7.934 10.001 8.463 494 HA SER 56 HA SER 56 9.172 10.127 11.038 495 HB2 SER 56 HB2 SER 56 8.524 12.374 11.725 496 HB3 SER 56 HB3 SER 56 9.532 12.533 10.319 497 HG SER 56 HG SER 56 6.720 12.738 10.498 498 H LYS 57 HN LYS 57 7.066 8.562 9.502 499 HA LYS 57 HA LYS 57 5.059 8.501 11.613 500 HB2 LYS 57 HB2 LYS 57 3.149 8.986 10.207 501 HB3 LYS 57 HB3 LYS 57 4.225 10.335 10.166 502 HG2 LYS 57 HG2 LYS 57 4.016 10.286 7.910 503 HG3 LYS 57 HG3 LYS 57 5.119 8.960 7.949 504 HD2 LYS 57 HD2 LYS 57 3.466 7.965 6.704 505 HD3 LYS 57 HD3 LYS 57 2.899 7.482 8.270 506 HE2 LYS 57 HE2 LYS 57 1.874 9.928 6.723 507 HE3 LYS 57 HE3 LYS 57 1.061 8.385 6.819 508 HZ1 LYS 57 HZ1 LYS 57 0.846 8.665 9.169 509 HZ2 LYS 57 HZ2 LYS 57 0.146 9.901 8.333 510 HZ3 LYS 57 HZ3 LYS 57 1.592 10.137 9.096 511 H VAL 58 HN VAL 58 3.609 6.721 11.469 512 HA VAL 58 HA VAL 58 4.334 4.532 9.601 513 HB VAL 58 HB VAL 58 3.892 4.262 12.619 514 HG11 VAL 58 HG11 VAL 58 4.317 2.078 10.530 515 HG12 VAL 58 HG12 VAL 58 4.408 1.817 12.267 516 HG13 VAL 58 HG13 VAL 58 2.891 2.292 11.542 517 HG21 VAL 58 HG21 VAL 58 6.212 3.348 12.693 518 HG22 VAL 58 HG22 VAL 58 6.425 3.774 10.999 519 HG23 VAL 58 HG23 VAL 58 6.182 5.031 12.209 520 H ILE 59 HN ILE 59 2.594 3.743 8.650 521 HA ILE 59 HA ILE 59 -0.168 4.194 9.710 522 HB ILE 59 HB ILE 59 0.869 3.331 6.971 523 HG12 ILE 59 HG12 ILE 59 -0.538 5.968 7.238 524 HG13 ILE 59 HG13 ILE 59 1.097 5.912 7.794 525 HG21 ILE 59 HG21 ILE 59 -1.450 3.743 6.106 526 HG22 ILE 59 HG22 ILE 59 -1.370 2.397 7.211 527 HG23 ILE 59 HG23 ILE 59 -2.006 3.947 7.762 528 HD11 ILE 59 HD11 ILE 59 1.193 6.570 5.477 529 HD12 ILE 59 HD12 ILE 59 1.845 4.956 5.573 530 HD13 ILE 59 HD13 ILE 59 0.206 5.198 4.969 531 H GLN 60 HN GLN 60 -1.451 2.291 10.024 532 HA GLN 60 HA GLN 60 -0.448 -0.238 8.978 533 HB2 GLN 60 HB2 GLN 60 -1.154 0.168 11.917 534 HB3 GLN 60 HB3 GLN 60 -1.340 -1.382 11.147 535 HG2 GLN 60 HG2 GLN 60 1.119 -1.271 10.451 536 HG3 GLN 60 HG3 GLN 60 1.295 0.114 11.503 537 HE21 GLN 60 HE21 GLN 60 -0.209 -0.586 13.759 538 HE22 GLN 60 HE22 GLN 60 0.453 -2.025 14.486 539 H ASN 61 HN ASN 61 -1.995 -1.618 8.263 540 HA ASN 61 HA ASN 61 -4.864 -0.859 8.593 541 HB2 ASN 61 HB2 ASN 61 -3.486 -1.691 5.972 542 HB3 ASN 61 HB3 ASN 61 -5.205 -1.588 6.208 543 HD21 ASN 61 HD21 ASN 61 -4.348 1.054 7.941 544 HD22 ASN 61 HD22 ASN 61 -4.426 2.231 6.651 545 H GLU 62 HN GLU 62 -5.147 -2.461 10.170 546 HA GLU 62 HA GLU 62 -4.904 -5.297 9.483 547 HB2 GLU 62 HB2 GLU 62 -6.199 -3.668 11.696 548 HB3 GLU 62 HB3 GLU 62 -6.835 -5.240 11.384 549 HG2 GLU 62 HG2 GLU 62 -5.343 -5.632 13.102 550 HG3 GLU 62 HG3 GLU 62 -4.487 -6.207 11.702 551 H PHE 63 HN PHE 63 -6.337 -6.440 8.246 552 HA PHE 63 HA PHE 63 -9.104 -5.817 8.228 553 HB2 PHE 63 HB2 PHE 63 -9.451 -5.412 5.835 554 HB3 PHE 63 HB3 PHE 63 -8.478 -4.153 6.503 555 HD1 PHE 63 HD1 PHE 63 -6.135 -3.853 5.768 556 HD2 PHE 63 HD2 PHE 63 -8.473 -7.180 4.320 557 HE1 PHE 63 HE1 PHE 63 -4.469 -4.287 4.014 558 HE2 PHE 63 HE2 PHE 63 -6.776 -7.606 2.606 559 HZ PHE 63 HZ PHE 63 -4.794 -6.149 2.422 560 H THR 64 HN THR 64 -10.374 -7.388 6.882 561 HA THR 64 HA THR 64 -8.926 -9.928 6.325 562 HB THR 64 HB THR 64 -11.639 -9.618 7.724 563 HG1 THR 64 HG1 THR 64 -10.592 -10.564 9.460 564 HG21 THR 64 HG21 THR 64 -11.466 -12.113 8.081 565 HG22 THR 64 HG22 THR 64 -10.056 -12.147 7.050 566 HG23 THR 64 HG23 THR 64 -11.626 -11.719 6.375 567 H VAL 65 HN VAL 65 -9.434 -10.797 4.365 568 HA VAL 65 HA VAL 65 -10.932 -9.186 2.546 569 HB VAL 65 HB VAL 65 -10.485 -10.926 0.877 570 HG11 VAL 65 HG11 VAL 65 -8.834 -9.201 1.186 571 HG12 VAL 65 HG12 VAL 65 -8.069 -10.077 2.505 572 HG13 VAL 65 HG13 VAL 65 -8.003 -10.719 0.874 573 HG21 VAL 65 HG21 VAL 65 -9.011 -12.876 1.369 574 HG22 VAL 65 HG22 VAL 65 -9.232 -12.602 3.089 575 HG23 VAL 65 HG23 VAL 65 -10.602 -13.042 2.079 576 H GLY 66 HN GLY 66 -12.915 -9.386 1.685 577 HA2 GLY 66 HA2 GLY 66 -15.045 -10.135 1.296 578 HA3 GLY 66 HA1 GLY 66 -14.716 -11.648 2.112 579 H GLU 67 HN GLU 67 -13.779 -8.958 4.103 580 HA GLU 67 HA GLU 67 -16.398 -8.819 5.525 581 HB2 GLU 67 HB2 GLU 67 -13.631 -9.150 6.780 582 HB3 GLU 67 HB3 GLU 67 -15.127 -8.950 7.644 583 HG2 GLU 67 HG2 GLU 67 -15.951 -11.152 6.732 584 HG3 GLU 67 HG3 GLU 67 -14.438 -11.361 5.878 585 H GLU 68 HN GLU 68 -16.784 -6.835 6.606 586 HA GLU 68 HA GLU 68 -15.379 -4.550 5.487 587 HB2 GLU 68 HB2 GLU 68 -17.847 -4.607 5.704 588 HB3 GLU 68 HB3 GLU 68 -17.705 -4.671 7.438 589 HG2 GLU 68 HG2 GLU 68 -16.574 -2.420 7.448 590 HG3 GLU 68 HG3 GLU 68 -16.630 -2.384 5.702 591 H CYS 69 HN CYS 69 -13.795 -3.411 6.393 592 HA CYS 69 HA CYS 69 -13.156 -3.582 9.284 593 HB2 CYS 69 HB2 CYS 69 -11.255 -4.252 6.962 594 HB3 CYS 69 HB3 CYS 69 -10.729 -3.979 8.613 595 HG CYS 69 HG CYS 69 -12.785 -6.272 7.447 596 H GLU 70 HN GLU 70 -11.932 -1.786 10.046 597 HA GLU 70 HA GLU 70 -12.155 0.629 8.427 598 HB2 GLU 70 HB2 GLU 70 -11.215 0.146 11.269 599 HB3 GLU 70 HB3 GLU 70 -11.146 1.703 10.475 600 HG2 GLU 70 HG2 GLU 70 -13.601 1.665 10.094 601 HG3 GLU 70 HG3 GLU 70 -13.711 0.097 10.868 602 H LEU 71 HN LEU 71 -10.716 1.118 6.940 603 HA LEU 71 HA LEU 71 -7.838 0.463 7.219 604 HB2 LEU 71 HB2 LEU 71 -9.668 1.376 4.971 605 HB3 LEU 71 HB3 LEU 71 -8.008 1.875 4.921 606 HG LEU 71 HG LEU 71 -7.207 -0.434 5.081 607 HD11 LEU 71 HD11 LEU 71 -9.268 -2.123 4.325 608 HD12 LEU 71 HD12 LEU 71 -10.072 -1.106 5.502 609 HD13 LEU 71 HD13 LEU 71 -8.615 -1.979 5.952 610 HD21 LEU 71 HD21 LEU 71 -7.758 -1.071 2.761 611 HD22 LEU 71 HD22 LEU 71 -7.408 0.644 2.894 612 HD23 LEU 71 HD23 LEU 71 -9.076 0.098 2.737 613 H GLU 72 HN GLU 72 -6.513 1.870 8.160 614 HA GLU 72 HA GLU 72 -7.253 4.627 8.700 615 HB2 GLU 72 HB2 GLU 72 -5.941 3.312 10.321 616 HB3 GLU 72 HB3 GLU 72 -4.666 3.089 9.154 617 HG2 GLU 72 HG2 GLU 72 -4.320 5.617 9.100 618 HG3 GLU 72 HG3 GLU 72 -5.530 5.775 10.349 619 H THR 73 HN THR 73 -6.778 6.351 7.434 620 HA THR 73 HA THR 73 -5.279 5.960 4.910 621 HB THR 73 HB THR 73 -6.332 7.863 4.124 622 HG1 THR 73 HG1 THR 73 -6.002 9.320 5.747 623 HG21 THR 73 HG21 THR 73 -8.662 7.426 4.241 624 HG22 THR 73 HG22 THR 73 -8.587 6.891 5.916 625 HG23 THR 73 HG23 THR 73 -7.935 5.884 4.637 626 H MET 74 HN MET 74 -3.801 7.744 4.245 627 HA MET 74 HA MET 74 -1.610 7.932 5.949 628 HB2 MET 74 HB2 MET 74 -2.436 9.347 3.396 629 HB3 MET 74 HB3 MET 74 -0.896 9.696 4.141 630 HG2 MET 74 HG2 MET 74 -0.158 7.411 3.923 631 HG3 MET 74 HG3 MET 74 -1.721 6.862 3.364 632 HE1 MET 74 HE1 MET 74 0.447 5.812 1.686 633 HE2 MET 74 HE2 MET 74 1.224 6.849 0.480 634 HE3 MET 74 HE3 MET 74 1.615 7.045 2.195 635 H THR 75 HN THR 75 -4.255 10.302 5.636 636 HA THR 75 HA THR 75 -2.939 12.376 7.182 637 HB THR 75 HB THR 75 -5.178 13.431 7.174 638 HG1 THR 75 HG1 THR 75 -6.520 11.723 7.360 639 HG21 THR 75 HG21 THR 75 -5.530 13.759 4.801 640 HG22 THR 75 HG22 THR 75 -4.511 12.377 4.389 641 HG23 THR 75 HG23 THR 75 -3.819 13.808 5.162 642 H GLY 76 HN GLY 76 -4.285 9.367 8.152 643 HA2 GLY 76 HA2 GLY 76 -4.452 8.588 10.317 644 HA3 GLY 76 HA1 GLY 76 -4.419 10.209 10.979 645 H GLU 77 HN GLU 77 -6.670 9.677 8.312 646 HA GLU 77 HA GLU 77 -9.028 9.669 10.073 647 HB2 GLU 77 HB2 GLU 77 -8.409 10.376 7.267 648 HB3 GLU 77 HB3 GLU 77 -9.725 9.260 7.293 649 HG2 GLU 77 HG2 GLU 77 -9.614 11.906 8.824 650 HG3 GLU 77 HG3 GLU 77 -10.480 11.624 7.333 651 H LYS 78 HN LYS 78 -10.710 7.971 9.752 652 HA LYS 78 HA LYS 78 -9.666 5.336 8.837 653 HB2 LYS 78 HB2 LYS 78 -11.168 5.839 11.453 654 HB3 LYS 78 HB3 LYS 78 -10.810 4.284 10.763 655 HG2 LYS 78 HG2 LYS 78 -8.296 4.908 10.935 656 HG3 LYS 78 HG3 LYS 78 -8.805 6.296 11.860 657 HD2 LYS 78 HD2 LYS 78 -8.384 4.745 13.563 658 HD3 LYS 78 HD3 LYS 78 -10.107 4.604 13.366 659 HE2 LYS 78 HE2 LYS 78 -9.441 2.649 11.626 660 HE3 LYS 78 HE3 LYS 78 -7.936 2.660 12.511 661 HZ1 LYS 78 HZ1 LYS 78 -9.475 1.121 13.431 662 HZ2 LYS 78 HZ2 LYS 78 -10.641 2.273 13.587 663 HZ3 LYS 78 HZ3 LYS 78 -9.279 2.341 14.528 664 H VAL 79 HN VAL 79 -11.120 4.182 7.662 665 HA VAL 79 HA VAL 79 -13.982 4.841 7.785 666 HB VAL 79 HB VAL 79 -14.140 4.867 5.294 667 HG11 VAL 79 HG11 VAL 79 -13.729 7.197 4.989 668 HG12 VAL 79 HG12 VAL 79 -14.254 6.965 6.644 669 HG13 VAL 79 HG13 VAL 79 -12.550 7.249 6.296 670 HG21 VAL 79 HG21 VAL 79 -11.108 5.216 5.264 671 HG22 VAL 79 HG22 VAL 79 -12.021 3.886 4.552 672 HG23 VAL 79 HG23 VAL 79 -12.181 5.502 3.902 673 H LYS 80 HN LYS 80 -15.294 3.211 7.420 674 HA LYS 80 HA LYS 80 -14.339 0.503 7.438 675 HB2 LYS 80 HB2 LYS 80 -17.119 1.763 7.245 676 HB3 LYS 80 HB3 LYS 80 -16.834 0.054 7.423 677 HG2 LYS 80 HG2 LYS 80 -15.718 0.384 9.581 678 HG3 LYS 80 HG3 LYS 80 -15.881 2.119 9.452 679 HD2 LYS 80 HD2 LYS 80 -18.379 1.880 9.410 680 HD3 LYS 80 HD3 LYS 80 -18.216 0.158 9.595 681 HE2 LYS 80 HE2 LYS 80 -17.210 2.216 11.637 682 HE3 LYS 80 HE3 LYS 80 -18.727 1.344 11.751 683 HZ1 LYS 80 HZ1 LYS 80 -17.073 0.293 13.038 684 HZ2 LYS 80 HZ2 LYS 80 -16.055 0.153 11.762 685 HZ3 LYS 80 HZ3 LYS 80 -17.468 -0.711 11.784 686 H THR 81 HN THR 81 -14.194 -0.952 5.776 687 HA THR 81 HA THR 81 -15.635 -0.708 3.299 688 HB THR 81 HB THR 81 -13.887 0.984 2.819 689 HG1 THR 81 HG1 THR 81 -13.035 0.039 0.998 690 HG21 THR 81 HG21 THR 81 -11.485 0.454 2.731 691 HG22 THR 81 HG22 THR 81 -11.760 -1.181 3.303 692 HG23 THR 81 HG23 THR 81 -12.052 0.191 4.368 693 H VAL 82 HN VAL 82 -15.361 -2.531 1.922 694 HA VAL 82 HA VAL 82 -14.267 -4.952 3.255 695 HB VAL 82 HB VAL 82 -16.171 -4.642 0.887 696 HG11 VAL 82 HG11 VAL 82 -14.956 -6.764 0.619 697 HG12 VAL 82 HG12 VAL 82 -15.225 -7.174 2.308 698 HG13 VAL 82 HG13 VAL 82 -16.576 -7.119 1.183 699 HG21 VAL 82 HG21 VAL 82 -17.271 -3.992 3.031 700 HG22 VAL 82 HG22 VAL 82 -17.944 -5.468 2.368 701 HG23 VAL 82 HG23 VAL 82 -16.825 -5.552 3.715 702 H VAL 83 HN VAL 83 -12.336 -5.669 2.578 703 HA VAL 83 HA VAL 83 -11.233 -4.931 -0.075 704 HB VAL 83 HB VAL 83 -9.989 -6.638 2.145 705 HG11 VAL 83 HG11 VAL 83 -8.743 -5.357 -0.329 706 HG12 VAL 83 HG12 VAL 83 -7.810 -6.010 0.994 707 HG13 VAL 83 HG13 VAL 83 -8.827 -7.071 0.054 708 HG21 VAL 83 HG21 VAL 83 -10.279 -4.514 3.198 709 HG22 VAL 83 HG22 VAL 83 -8.609 -4.539 2.662 710 HG23 VAL 83 HG23 VAL 83 -9.798 -3.630 1.765 711 H GLN 84 HN GLN 84 -10.796 -6.528 -1.660 712 HA GLN 84 HA GLN 84 -11.728 -9.324 -1.166 713 HB2 GLN 84 HB2 GLN 84 -12.022 -7.644 -3.719 714 HB3 GLN 84 HB3 GLN 84 -12.429 -9.324 -3.593 715 HG2 GLN 84 HG2 GLN 84 -13.844 -7.046 -2.119 716 HG3 GLN 84 HG3 GLN 84 -14.429 -7.872 -3.538 717 HE21 GLN 84 HE21 GLN 84 -16.149 -7.748 -1.508 718 HE22 GLN 84 HE22 GLN 84 -16.314 -9.295 -0.718 719 H LEU 85 HN LEU 85 -10.600 -10.932 -2.373 720 HA LEU 85 HA LEU 85 -7.988 -10.085 -3.508 721 HB2 LEU 85 HB2 LEU 85 -7.617 -10.992 -1.329 722 HB3 LEU 85 HB3 LEU 85 -8.507 -12.439 -1.644 723 HG LEU 85 HG LEU 85 -6.235 -11.828 -3.524 724 HD11 LEU 85 HD11 LEU 85 -4.786 -13.126 -1.558 725 HD12 LEU 85 HD12 LEU 85 -5.749 -12.019 -0.608 726 HD13 LEU 85 HD13 LEU 85 -4.726 -11.412 -1.905 727 HD21 LEU 85 HD21 LEU 85 -7.796 -14.057 -3.277 728 HD22 LEU 85 HD22 LEU 85 -6.493 -14.514 -2.200 729 HD23 LEU 85 HD23 LEU 85 -6.144 -14.105 -3.870 730 H GLU 86 HN GLU 86 -7.742 -10.623 -5.513 731 HA GLU 86 HA GLU 86 -9.520 -12.526 -6.889 732 HB2 GLU 86 HB2 GLU 86 -7.269 -10.884 -8.122 733 HB3 GLU 86 HB3 GLU 86 -8.677 -11.530 -8.895 734 HG2 GLU 86 HG2 GLU 86 -8.547 -9.117 -7.029 735 HG3 GLU 86 HG3 GLU 86 -8.905 -9.118 -8.731 736 H GLY 87 HN GLY 87 -8.577 -14.209 -8.226 737 HA2 GLY 87 HA2 GLY 87 -6.652 -15.835 -6.891 738 HA3 GLY 87 HA1 GLY 87 -7.404 -16.139 -8.441 739 H ASP 88 HN ASP 88 -5.873 -13.130 -8.676 740 HA ASP 88 HA ASP 88 -3.488 -14.263 -10.038 741 HB2 ASP 88 HB2 ASP 88 -4.794 -11.574 -10.508 742 HB3 ASP 88 HB3 ASP 88 -3.544 -12.314 -11.498 743 H ASN 89 HN ASN 89 -3.648 -13.680 -7.117 744 HA ASN 89 HA ASN 89 -2.245 -12.973 -5.483 745 HB2 ASN 89 HB2 ASN 89 -0.358 -11.664 -7.459 746 HB3 ASN 89 HB3 ASN 89 0.021 -12.346 -5.899 747 HD21 ASN 89 HD21 ASN 89 1.443 -12.695 -8.342 748 HD22 ASN 89 HD22 ASN 89 1.393 -14.394 -8.757 749 H LYS 90 HN LYS 90 -4.444 -11.255 -6.436 750 HA LYS 90 HA LYS 90 -3.314 -8.536 -5.971 751 HB2 LYS 90 HB2 LYS 90 -5.314 -9.565 -8.006 752 HB3 LYS 90 HB3 LYS 90 -5.144 -7.863 -7.648 753 HG2 LYS 90 HG2 LYS 90 -2.834 -7.822 -8.291 754 HG3 LYS 90 HG3 LYS 90 -2.732 -9.535 -8.423 755 HD2 LYS 90 HD2 LYS 90 -2.860 -9.008 -10.634 756 HD3 LYS 90 HD3 LYS 90 -4.537 -9.321 -10.309 757 HE2 LYS 90 HE2 LYS 90 -5.149 -7.014 -10.333 758 HE3 LYS 90 HE3 LYS 90 -3.499 -6.474 -10.086 759 HZ1 LYS 90 HZ1 LYS 90 -2.890 -7.261 -12.198 760 HZ2 LYS 90 HZ2 LYS 90 -4.142 -6.197 -12.336 761 HZ3 LYS 90 HZ3 LYS 90 -4.416 -7.818 -12.514 762 H LEU 91 HN LEU 91 -4.045 -7.497 -4.286 763 HA LEU 91 HA LEU 91 -6.729 -8.006 -3.145 764 HB2 LEU 91 HB2 LEU 91 -4.311 -6.368 -2.277 765 HB3 LEU 91 HB3 LEU 91 -5.831 -6.240 -1.448 766 HG LEU 91 HG LEU 91 -4.395 -8.890 -1.741 767 HD11 LEU 91 HD11 LEU 91 -3.558 -6.649 -0.078 768 HD12 LEU 91 HD12 LEU 91 -2.819 -8.232 -0.273 769 HD13 LEU 91 HD13 LEU 91 -4.051 -7.987 0.944 770 HD21 LEU 91 HD21 LEU 91 -5.901 -9.766 -0.184 771 HD22 LEU 91 HD22 LEU 91 -6.966 -8.656 -1.036 772 HD23 LEU 91 HD23 LEU 91 -6.294 -8.208 0.512 773 H VAL 92 HN VAL 92 -8.359 -6.468 -3.255 774 HA VAL 92 HA VAL 92 -7.855 -3.884 -4.638 775 HB VAL 92 HB VAL 92 -10.146 -5.825 -5.218 776 HG11 VAL 92 HG11 VAL 92 -10.798 -4.195 -7.026 777 HG12 VAL 92 HG12 VAL 92 -11.029 -3.540 -5.422 778 HG13 VAL 92 HG13 VAL 92 -9.633 -3.045 -6.379 779 HG21 VAL 92 HG21 VAL 92 -8.147 -6.632 -6.363 780 HG22 VAL 92 HG22 VAL 92 -9.231 -5.931 -7.542 781 HG23 VAL 92 HG23 VAL 92 -7.812 -5.027 -7.011 782 H THR 93 HN THR 93 -8.913 -2.170 -3.693 783 HA THR 93 HA THR 93 -11.276 -2.449 -2.059 784 HB THR 93 HB THR 93 -9.537 -3.189 -0.440 785 HG1 THR 93 HG1 THR 93 -9.988 -1.622 1.178 786 HG21 THR 93 HG21 THR 93 -7.565 -1.820 -1.304 787 HG22 THR 93 HG22 THR 93 -7.795 -1.752 0.433 788 HG23 THR 93 HG23 THR 93 -8.305 -0.397 -0.561 789 H THR 94 HN THR 94 -11.731 -0.232 -0.941 790 HA THR 94 HA THR 94 -10.696 2.124 -2.366 791 HB THR 94 HB THR 94 -13.055 3.039 -2.540 792 HG1 THR 94 HG1 THR 94 -13.872 0.369 -2.136 793 HG21 THR 94 HG21 THR 94 -13.814 1.797 -4.558 794 HG22 THR 94 HG22 THR 94 -12.606 0.553 -4.264 795 HG23 THR 94 HG23 THR 94 -12.117 2.205 -4.643 796 H PHE 95 HN PHE 95 -10.641 3.940 -0.976 797 HA PHE 95 HA PHE 95 -12.159 3.990 1.505 798 HB2 PHE 95 HB2 PHE 95 -10.190 4.174 2.981 799 HB3 PHE 95 HB3 PHE 95 -10.340 2.596 2.289 800 HD1 PHE 95 HD1 PHE 95 -8.658 1.805 0.582 801 HD2 PHE 95 HD2 PHE 95 -8.319 5.684 2.430 802 HE1 PHE 95 HE1 PHE 95 -6.318 1.978 -0.159 803 HE2 PHE 95 HE2 PHE 95 -5.982 5.825 1.675 804 HZ PHE 95 HZ PHE 95 -4.984 3.978 0.385 805 H LYS 96 HN LYS 96 -12.948 6.003 1.592 806 HA LYS 96 HA LYS 96 -13.316 8.155 1.188 807 HB2 LYS 96 HB2 LYS 96 -10.286 8.517 1.526 808 HB3 LYS 96 HB3 LYS 96 -11.477 9.785 1.523 809 HG2 LYS 96 HG2 LYS 96 -12.586 8.426 3.495 810 HG3 LYS 96 HG3 LYS 96 -10.994 7.739 3.671 811 HD2 LYS 96 HD2 LYS 96 -11.768 10.695 3.786 812 HD3 LYS 96 HD3 LYS 96 -11.289 9.708 5.133 813 HE2 LYS 96 HE2 LYS 96 -8.971 9.594 4.353 814 HE3 LYS 96 HE3 LYS 96 -9.377 10.334 2.817 815 HZ1 LYS 96 HZ1 LYS 96 -9.603 11.629 5.424 816 HZ2 LYS 96 HZ2 LYS 96 -9.966 12.319 3.971 817 HZ3 LYS 96 HZ3 LYS 96 -8.414 11.877 4.312 818 H ASN 97 HN ASN 97 -13.225 6.622 -1.134 819 HA ASN 97 HA ASN 97 -13.213 6.678 -3.359 820 HB2 ASN 97 HB2 ASN 97 -13.973 9.172 -2.929 821 HB3 ASN 97 HB3 ASN 97 -12.356 9.624 -3.400 822 HD21 ASN 97 HD21 ASN 97 -12.814 10.636 -5.366 823 HD22 ASN 97 HD22 ASN 97 -13.643 9.871 -6.696 824 H ILE 98 HN ILE 98 -10.437 6.807 -1.609 825 HA ILE 98 HA ILE 98 -8.579 6.781 -3.884 826 HB ILE 98 HB ILE 98 -8.073 5.919 -1.003 827 HG12 ILE 98 HG12 ILE 98 -7.126 8.535 -2.173 828 HG13 ILE 98 HG13 ILE 98 -8.697 8.452 -1.428 829 HG21 ILE 98 HG21 ILE 98 -6.427 4.909 -2.515 830 HG22 ILE 98 HG22 ILE 98 -6.098 6.476 -3.240 831 HG23 ILE 98 HG23 ILE 98 -5.679 6.158 -1.557 832 HD11 ILE 98 HD11 ILE 98 -6.061 7.898 -0.013 833 HD12 ILE 98 HD12 ILE 98 -7.184 9.225 0.258 834 HD13 ILE 98 HD13 ILE 98 -7.646 7.592 0.703 835 H LYS 99 HN LYS 99 -9.492 5.226 -5.178 836 HA LYS 99 HA LYS 99 -9.948 2.460 -4.611 837 HB2 LYS 99 HB2 LYS 99 -10.686 3.744 -6.669 838 HB3 LYS 99 HB3 LYS 99 -9.024 3.998 -7.074 839 HG2 LYS 99 HG2 LYS 99 -9.554 2.375 -8.534 840 HG3 LYS 99 HG3 LYS 99 -8.777 1.429 -7.308 841 HD2 LYS 99 HD2 LYS 99 -10.901 0.630 -6.436 842 HD3 LYS 99 HD3 LYS 99 -11.818 1.778 -7.372 843 HE2 LYS 99 HE2 LYS 99 -10.155 -0.516 -8.551 844 HE3 LYS 99 HE3 LYS 99 -11.895 -0.531 -8.343 845 HZ1 LYS 99 HZ1 LYS 99 -11.299 0.051 -10.556 846 HZ2 LYS 99 HZ2 LYS 99 -10.419 1.347 -10.045 847 HZ3 LYS 99 HZ3 LYS 99 -12.055 1.327 -9.835 848 H SER 100 HN SER 100 -8.494 0.777 -4.459 849 HA SER 100 HA SER 100 -5.583 1.320 -4.751 850 HB2 SER 100 HB2 SER 100 -6.064 1.823 -2.444 851 HB3 SER 100 HB3 SER 100 -7.106 0.433 -2.267 852 HG SER 100 HG SER 100 -5.331 -0.910 -2.415 853 H VAL 101 HN VAL 101 -4.599 -0.226 -5.773 854 HA VAL 101 HA VAL 101 -5.599 -3.023 -5.665 855 HB VAL 101 HB VAL 101 -4.338 -1.587 -8.057 856 HG11 VAL 101 HG11 VAL 101 -4.671 -3.755 -9.288 857 HG12 VAL 101 HG12 VAL 101 -3.472 -3.892 -8.023 858 HG13 VAL 101 HG13 VAL 101 -5.092 -4.534 -7.766 859 HG21 VAL 101 HG21 VAL 101 -6.717 -1.019 -7.912 860 HG22 VAL 101 HG22 VAL 101 -6.464 -2.122 -9.250 861 HG23 VAL 101 HG23 VAL 101 -7.152 -2.716 -7.742 862 H THR 102 HN THR 102 -4.044 -4.321 -4.822 863 HA THR 102 HA THR 102 -1.172 -3.470 -4.920 864 HB THR 102 HB THR 102 -2.474 -5.184 -2.735 865 HG1 THR 102 HG1 THR 102 -3.138 -3.046 -2.587 866 HG21 THR 102 HG21 THR 102 0.329 -3.985 -3.000 867 HG22 THR 102 HG22 THR 102 -0.061 -5.700 -3.000 868 HG23 THR 102 HG23 THR 102 -0.287 -4.748 -1.545 869 H GLU 103 HN GLU 103 0.033 -4.889 -6.089 870 HA GLU 103 HA GLU 103 -0.983 -7.667 -6.514 871 HB2 GLU 103 HB2 GLU 103 -1.298 -6.258 -8.511 872 HB3 GLU 103 HB3 GLU 103 0.375 -5.809 -8.504 873 HG2 GLU 103 HG2 GLU 103 1.115 -8.100 -8.945 874 HG3 GLU 103 HG3 GLU 103 -0.494 -8.735 -8.733 875 H LEU 104 HN LEU 104 0.269 -9.123 -5.655 876 HA LEU 104 HA LEU 104 3.131 -8.695 -5.113 877 HB2 LEU 104 HB2 LEU 104 1.817 -9.815 -3.400 878 HB3 LEU 104 HB3 LEU 104 1.101 -10.880 -4.560 879 HG LEU 104 HG LEU 104 3.419 -11.935 -4.937 880 HD11 LEU 104 HD11 LEU 104 5.045 -10.475 -4.093 881 HD12 LEU 104 HD12 LEU 104 4.890 -11.603 -2.753 882 HD13 LEU 104 HD13 LEU 104 4.098 -10.052 -2.671 883 HD21 LEU 104 HD21 LEU 104 1.726 -12.195 -2.478 884 HD22 LEU 104 HD22 LEU 104 3.234 -13.094 -2.565 885 HD23 LEU 104 HD23 LEU 104 2.011 -13.313 -3.803 886 H ASN 105 HN ASN 105 4.670 -9.241 -6.537 887 HA ASN 105 HA ASN 105 4.190 -11.410 -8.520 888 HB2 ASN 105 HB2 ASN 105 5.582 -8.713 -9.016 889 HB3 ASN 105 HB3 ASN 105 5.770 -10.101 -10.052 890 HD21 ASN 105 HD21 ASN 105 2.634 -10.632 -9.515 891 HD22 ASN 105 HD22 ASN 105 1.952 -9.577 -10.727 892 H GLY 106 HN GLY 106 5.066 -12.694 -6.773 893 HA2 GLY 106 HA2 GLY 106 6.752 -13.966 -5.929 894 HA3 GLY 106 HA1 GLY 106 7.863 -13.207 -7.053 895 H ASP 107 HN ASP 107 9.206 -11.564 -6.327 896 HA ASP 107 HA ASP 107 9.323 -11.010 -3.424 897 HB2 ASP 107 HB2 ASP 107 11.441 -10.278 -5.454 898 HB3 ASP 107 HB3 ASP 107 11.612 -10.455 -3.713 899 H ILE 108 HN ILE 108 7.957 -9.516 -6.109 900 HA ILE 108 HA ILE 108 8.681 -6.737 -5.293 901 HB ILE 108 HB ILE 108 7.145 -7.647 -7.762 902 HG12 ILE 108 HG12 ILE 108 9.184 -8.845 -8.021 903 HG13 ILE 108 HG13 ILE 108 9.165 -7.523 -9.130 904 HG21 ILE 108 HG21 ILE 108 7.918 -5.492 -8.746 905 HG22 ILE 108 HG22 ILE 108 6.909 -5.248 -7.345 906 HG23 ILE 108 HG23 ILE 108 8.650 -5.052 -7.210 907 HD11 ILE 108 HD11 ILE 108 11.334 -7.275 -8.345 908 HD12 ILE 108 HD12 ILE 108 10.562 -6.338 -7.075 909 HD13 ILE 108 HD13 ILE 108 10.978 -8.030 -6.799 910 H ILE 109 HN ILE 109 7.069 -5.284 -4.719 911 HA ILE 109 HA ILE 109 4.213 -6.166 -4.746 912 HB ILE 109 HB ILE 109 5.656 -4.460 -2.677 913 HG12 ILE 109 HG12 ILE 109 5.867 -6.863 -2.297 914 HG13 ILE 109 HG13 ILE 109 5.024 -6.032 -1.030 915 HG21 ILE 109 HG21 ILE 109 3.553 -3.303 -3.024 916 HG22 ILE 109 HG22 ILE 109 2.644 -4.807 -3.010 917 HG23 ILE 109 HG23 ILE 109 3.408 -4.205 -1.539 918 HD11 ILE 109 HD11 ILE 109 3.781 -7.825 -3.166 919 HD12 ILE 109 HD12 ILE 109 3.898 -8.144 -1.441 920 HD13 ILE 109 HD13 ILE 109 2.812 -6.899 -2.027 921 H THR 110 HN THR 110 3.424 -5.175 -6.473 922 HA THR 110 HA THR 110 4.068 -2.340 -7.080 923 HB THR 110 HB THR 110 2.265 -4.401 -8.463 924 HG1 THR 110 HG1 THR 110 4.713 -3.267 -9.285 925 HG21 THR 110 HG21 THR 110 2.970 -1.545 -9.348 926 HG22 THR 110 HG22 THR 110 1.355 -2.140 -8.976 927 HG23 THR 110 HG23 THR 110 2.205 -2.756 -10.377 928 H ASN 111 HN ASN 111 2.648 -0.731 -6.559 929 HA ASN 111 HA ASN 111 -0.064 -1.407 -5.606 930 HB2 ASN 111 HB2 ASN 111 2.045 0.353 -4.322 931 HB3 ASN 111 HB3 ASN 111 0.391 0.908 -4.245 932 HD21 ASN 111 HD21 ASN 111 -1.183 -0.230 -3.037 933 HD22 ASN 111 HD22 ASN 111 -0.723 -1.444 -1.875 934 H THR 112 HN THR 112 -1.623 -0.212 -6.602 935 HA THR 112 HA THR 112 -0.922 2.286 -8.059 936 HB THR 112 HB THR 112 -2.791 0.065 -9.048 937 HG1 THR 112 HG1 THR 112 -1.369 0.181 -10.852 938 HG21 THR 112 HG21 THR 112 -3.833 2.256 -9.628 939 HG22 THR 112 HG22 THR 112 -3.140 1.538 -11.066 940 HG23 THR 112 HG23 THR 112 -2.293 2.847 -10.246 941 H MET 113 HN MET 113 -1.978 3.860 -7.033 942 HA MET 113 HA MET 113 -4.586 3.284 -5.733 943 HB2 MET 113 HB2 MET 113 -2.931 5.635 -4.858 944 HB3 MET 113 HB3 MET 113 -4.117 4.733 -3.987 945 HG2 MET 113 HG2 MET 113 -1.275 3.778 -4.614 946 HG3 MET 113 HG3 MET 113 -1.807 4.442 -3.107 947 HE1 MET 113 HE1 MET 113 -3.367 1.706 -1.133 948 HE2 MET 113 HE2 MET 113 -2.347 3.146 -1.136 949 HE3 MET 113 HE3 MET 113 -4.006 3.236 -1.750 950 H THR 114 HN THR 114 -6.305 4.645 -6.386 951 HA THR 114 HA THR 114 -5.669 6.899 -8.233 952 HB THR 114 HB THR 114 -7.744 4.721 -8.763 953 HG1 THR 114 HG1 THR 114 -5.616 4.154 -9.251 954 HG21 THR 114 HG21 THR 114 -8.088 5.916 -10.953 955 HG22 THR 114 HG22 THR 114 -7.083 7.242 -10.378 956 HG23 THR 114 HG23 THR 114 -8.624 6.895 -9.602 957 H LEU 115 HN LEU 115 -6.512 8.699 -7.429 958 HA LEU 115 HA LEU 115 -9.147 8.612 -6.008 959 HB2 LEU 115 HB2 LEU 115 -6.976 9.113 -4.625 960 HB3 LEU 115 HB3 LEU 115 -6.919 10.628 -5.460 961 HG LEU 115 HG LEU 115 -9.077 9.555 -3.608 962 HD11 LEU 115 HD11 LEU 115 -7.932 12.225 -3.005 963 HD12 LEU 115 HD12 LEU 115 -6.734 10.946 -2.997 964 HD13 LEU 115 HD13 LEU 115 -8.151 10.829 -1.964 965 HD21 LEU 115 HD21 LEU 115 -9.331 11.983 -5.398 966 HD22 LEU 115 HD22 LEU 115 -10.136 11.934 -3.841 967 HD23 LEU 115 HD23 LEU 115 -10.510 10.714 -5.042 968 H GLY 116 HN GLY 116 -10.413 9.086 -7.768 969 HA2 GLY 116 HA2 GLY 116 -11.400 10.341 -9.410 970 HA3 GLY 116 HA1 GLY 116 -10.457 11.733 -8.892 971 H ASP 117 HN ASP 117 -9.190 12.490 -10.543 972 HA ASP 117 HA ASP 117 -8.287 10.792 -12.733 973 HB2 ASP 117 HB2 ASP 117 -9.171 13.212 -12.971 974 HB3 ASP 117 HB3 ASP 117 -7.677 13.732 -12.221 975 H ILE 118 HN ILE 118 -6.958 11.801 -9.640 976 HA ILE 118 HA ILE 118 -4.182 11.805 -10.468 977 HB ILE 118 HB ILE 118 -5.326 11.616 -7.638 978 HG12 ILE 118 HG12 ILE 118 -4.351 14.139 -7.769 979 HG13 ILE 118 HG13 ILE 118 -4.796 13.978 -9.435 980 HG21 ILE 118 HG21 ILE 118 -3.077 12.453 -6.954 981 HG22 ILE 118 HG22 ILE 118 -2.973 10.859 -7.652 982 HG23 ILE 118 HG23 ILE 118 -2.499 12.266 -8.600 983 HD11 ILE 118 HD11 ILE 118 -6.572 15.002 -7.932 984 HD12 ILE 118 HD12 ILE 118 -7.168 13.581 -8.775 985 HD13 ILE 118 HD13 ILE 118 -6.707 13.474 -7.074 986 H VAL 119 HN VAL 119 -3.564 9.899 -11.395 987 HA VAL 119 HA VAL 119 -3.928 7.324 -9.981 988 HB VAL 119 HB VAL 119 -2.632 8.014 -12.656 989 HG11 VAL 119 HG11 VAL 119 -1.516 5.983 -11.798 990 HG12 VAL 119 HG12 VAL 119 -3.072 5.270 -11.381 991 HG13 VAL 119 HG13 VAL 119 -2.632 5.526 -13.065 992 HG21 VAL 119 HG21 VAL 119 -4.582 6.861 -13.664 993 HG22 VAL 119 HG22 VAL 119 -5.296 6.654 -12.069 994 HG23 VAL 119 HG23 VAL 119 -5.086 8.266 -12.746 995 H PHE 120 HN PHE 120 -2.587 7.108 -8.317 996 HA PHE 120 HA PHE 120 0.223 8.022 -8.355 997 HB2 PHE 120 HB2 PHE 120 -1.251 8.469 -6.391 998 HB3 PHE 120 HB3 PHE 120 -1.590 6.783 -6.242 999 HD1 PHE 120 HD1 PHE 120 -0.833 6.257 -4.087 1000 HD2 PHE 120 HD2 PHE 120 1.748 8.524 -6.676 1001 HE1 PHE 120 HE1 PHE 120 0.967 6.127 -2.424 1002 HE2 PHE 120 HE2 PHE 120 3.557 8.313 -5.025 1003 HZ PHE 120 HZ PHE 120 3.163 7.156 -2.893 1004 H LYS 121 HN LYS 121 1.876 6.566 -8.635 1005 HA LYS 121 HA LYS 121 1.246 3.635 -8.690 1006 HB2 LYS 121 HB2 LYS 121 1.813 5.107 -10.900 1007 HB3 LYS 121 HB3 LYS 121 3.452 4.809 -10.389 1008 HG2 LYS 121 HG2 LYS 121 1.371 2.604 -10.812 1009 HG3 LYS 121 HG3 LYS 121 2.329 3.264 -12.103 1010 HD2 LYS 121 HD2 LYS 121 4.421 2.632 -10.710 1011 HD3 LYS 121 HD3 LYS 121 3.345 1.736 -9.672 1012 HE2 LYS 121 HE2 LYS 121 4.288 0.179 -11.257 1013 HE3 LYS 121 HE3 LYS 121 2.587 0.357 -11.640 1014 HZ1 LYS 121 HZ1 LYS 121 4.814 1.724 -12.995 1015 HZ2 LYS 121 HZ2 LYS 121 3.220 1.904 -13.372 1016 HZ3 LYS 121 HZ3 LYS 121 3.956 0.445 -13.584 1017 H ARG 122 HN ARG 122 2.688 2.349 -7.684 1018 HA ARG 122 HA ARG 122 4.976 3.473 -6.168 1019 HB2 ARG 122 HB2 ARG 122 2.342 2.336 -5.229 1020 HB3 ARG 122 HB3 ARG 122 3.742 1.820 -4.340 1021 HG2 ARG 122 HG2 ARG 122 3.087 4.795 -4.722 1022 HG3 ARG 122 HG3 ARG 122 2.387 3.770 -3.515 1023 HD2 ARG 122 HD2 ARG 122 5.364 3.893 -3.710 1024 HD3 ARG 122 HD3 ARG 122 4.534 5.081 -2.744 1025 HE ARG 122 HE ARG 122 5.147 2.282 -2.271 1026 HH11 ARG 122 HH11 ARG 122 2.619 4.625 -1.391 1027 HH12 ARG 122 HH12 ARG 122 2.057 3.682 -0.035 1028 HH21 ARG 122 HH21 ARG 122 4.423 1.092 -0.484 1029 HH22 ARG 122 HH22 ARG 122 3.123 1.687 0.507 1030 H ILE 123 HN ILE 123 6.639 2.035 -6.088 1031 HA ILE 123 HA ILE 123 6.160 -0.849 -6.642 1032 HB ILE 123 HB ILE 123 8.524 0.771 -7.731 1033 HG12 ILE 123 HG12 ILE 123 7.455 -0.144 -10.007 1034 HG13 ILE 123 HG13 ILE 123 5.974 -0.122 -9.111 1035 HG21 ILE 123 HG21 ILE 123 9.148 -1.574 -7.197 1036 HG22 ILE 123 HG22 ILE 123 7.784 -2.164 -8.139 1037 HG23 ILE 123 HG23 ILE 123 9.122 -1.327 -8.922 1038 HD11 ILE 123 HD11 ILE 123 6.751 1.979 -10.554 1039 HD12 ILE 123 HD12 ILE 123 5.997 2.288 -8.998 1040 HD13 ILE 123 HD13 ILE 123 7.742 2.375 -9.166 1041 H SER 124 HN SER 124 7.032 -2.061 -5.105 1042 HA SER 124 HA SER 124 9.360 -1.132 -3.535 1043 HB2 SER 124 HB2 SER 124 6.723 -2.287 -2.451 1044 HB3 SER 124 HB3 SER 124 8.213 -2.250 -1.524 1045 HG SER 124 HG SER 124 6.949 0.009 -2.625 1046 H LYS 125 HN LYS 125 10.638 -2.909 -2.700 1047 HA LYS 125 HA LYS 125 10.112 -5.589 -3.827 1048 HB2 LYS 125 HB2 LYS 125 11.382 -4.289 -5.519 1049 HB3 LYS 125 HB3 LYS 125 12.656 -3.971 -4.379 1050 HG2 LYS 125 HG2 LYS 125 11.887 -6.842 -4.951 1051 HG3 LYS 125 HG3 LYS 125 12.734 -5.954 -6.188 1052 HD2 LYS 125 HD2 LYS 125 14.646 -5.562 -4.755 1053 HD3 LYS 125 HD3 LYS 125 13.842 -6.229 -3.365 1054 HE2 LYS 125 HE2 LYS 125 13.711 -8.471 -4.537 1055 HE3 LYS 125 HE3 LYS 125 14.565 -7.784 -5.909 1056 HZ1 LYS 125 HZ1 LYS 125 16.407 -7.327 -4.457 1057 HZ2 LYS 125 HZ2 LYS 125 16.023 -8.931 -4.429 1058 HZ3 LYS 125 HZ3 LYS 125 15.595 -7.957 -3.167 1059 H ARG 126 HN ARG 126 11.102 -7.249 -2.771 1060 HA ARG 126 HA ARG 126 10.992 -7.099 -0.071 1061 HB2 ARG 126 HB2 ARG 126 10.674 -9.110 -1.518 1062 HB3 ARG 126 HB3 ARG 126 12.400 -9.209 -1.739 1063 HG2 ARG 126 HG2 ARG 126 12.560 -9.544 0.867 1064 HG3 ARG 126 HG3 ARG 126 10.821 -9.556 0.827 1065 HD2 ARG 126 HD2 ARG 126 12.465 -11.425 -0.874 1066 HD3 ARG 126 HD3 ARG 126 12.097 -11.880 0.767 1067 HE ARG 126 HE ARG 126 9.653 -11.208 -0.454 1068 HH11 ARG 126 HH11 ARG 126 12.271 -13.510 -1.188 1069 HH12 ARG 126 HH12 ARG 126 11.239 -14.554 -2.130 1070 HH21 ARG 126 HH21 ARG 126 8.310 -12.655 -1.632 1071 HH22 ARG 126 HH22 ARG 126 9.001 -14.069 -2.369 1072 H ILE 127 HN ILE 127 12.255 -6.814 1.636 1073 HA ILE 127 HA ILE 127 15.239 -6.765 1.403 1074 HB ILE 127 HB ILE 127 15.280 -5.051 3.136 1075 HG12 ILE 127 HG12 ILE 127 12.304 -4.541 2.817 1076 HG13 ILE 127 HG13 ILE 127 12.921 -5.529 4.099 1077 HG21 ILE 127 HG21 ILE 127 15.393 -4.405 0.723 1078 HG22 ILE 127 HG22 ILE 127 13.675 -4.033 0.756 1079 HG23 ILE 127 HG23 ILE 127 14.803 -3.110 1.742 1080 HD11 ILE 127 HD11 ILE 127 12.527 -3.107 4.743 1081 HD12 ILE 127 HD12 ILE 127 14.132 -3.720 5.123 1082 HD13 ILE 127 HD13 ILE 127 13.892 -2.654 3.743 Start of MODEL 5 1 H1 HIS -7 HN HIS -7 1.229 -24.225 11.156 2 HA HIS -7 HA HIS -7 2.621 -24.880 9.129 3 HB2 HIS -7 HB2 HIS -7 2.389 -22.441 10.607 4 HB3 HIS -7 HB3 HIS -7 4.082 -22.702 10.838 5 HD1 HIS -7 HD1 HIS -7 1.597 -22.610 7.887 6 HD2 HIS -7 HD2 HIS -7 5.461 -21.209 8.862 7 HE1 HIS -7 HE1 HIS -7 2.432 -21.175 5.982 8 H HIS -6 HN HIS -6 4.197 -24.743 12.308 9 HA HIS -6 HA HIS -6 5.814 -25.781 13.264 10 HB2 HIS -6 HB2 HIS -6 3.754 -27.380 12.744 11 HB3 HIS -6 HB3 HIS -6 4.900 -28.295 11.817 12 HD1 HIS -6 HD1 HIS -6 3.722 -29.837 13.975 13 HD2 HIS -6 HD2 HIS -6 6.989 -27.311 14.843 14 HE1 HIS -6 HE1 HIS -6 4.778 -30.609 16.138 15 H HIS -5 HN HIS -5 6.941 -24.759 10.658 16 HA HIS -5 HA HIS -5 9.326 -26.449 10.534 17 HB2 HIS -5 HB2 HIS -5 7.475 -27.451 9.008 18 HB3 HIS -5 HB3 HIS -5 7.643 -26.049 8.006 19 HD1 HIS -5 HD1 HIS -5 10.344 -28.299 9.615 20 HD2 HIS -5 HD2 HIS -5 9.044 -27.074 5.791 21 HE1 HIS -5 HE1 HIS -5 11.900 -29.292 7.887 22 H HIS -4 HN HIS -4 7.859 -23.999 8.340 23 HA HIS -4 HA HIS -4 8.474 -22.014 7.627 24 HB2 HIS -4 HB2 HIS -4 8.367 -21.539 10.127 25 HB3 HIS -4 HB3 HIS -4 10.099 -21.652 10.192 26 HD1 HIS -4 HD1 HIS -4 8.481 -19.113 10.972 27 HD2 HIS -4 HD2 HIS -4 10.335 -19.626 7.217 28 HE1 HIS -4 HE1 HIS -4 8.896 -16.831 9.965 29 H HIS -3 HN HIS -3 9.552 -23.370 5.988 30 HA HIS -3 HA HIS -3 12.422 -22.664 5.702 31 HB2 HIS -3 HB2 HIS -3 11.212 -25.452 5.474 32 HB3 HIS -3 HB3 HIS -3 12.660 -25.014 4.612 33 HD1 HIS -3 HD1 HIS -3 14.860 -24.610 5.959 34 HD2 HIS -3 HD2 HIS -3 11.600 -25.793 8.351 35 HE1 HIS -3 HE1 HIS -3 15.741 -25.296 8.229 36 H HIS -2 HN HIS -2 10.003 -24.517 3.762 37 HA HIS -2 HA HIS -2 10.709 -23.199 1.329 38 HB2 HIS -2 HB2 HIS -2 8.573 -25.157 2.216 39 HB3 HIS -2 HB3 HIS -2 8.355 -24.340 0.699 40 HD1 HIS -2 HD1 HIS -2 11.740 -25.645 1.961 41 HD2 HIS -2 HD2 HIS -2 8.939 -26.368 -1.110 42 HE1 HIS -2 HE1 HIS -2 12.745 -27.302 0.336 43 H VAL -1 HN VAL -1 9.694 -21.723 0.071 44 HA VAL -1 HA VAL -1 7.900 -19.785 1.469 45 HB VAL -1 HB VAL -1 10.057 -19.360 -0.664 46 HG11 VAL -1 HG11 VAL -1 8.388 -17.600 -0.965 47 HG12 VAL -1 HG12 VAL -1 8.336 -17.283 0.769 48 HG13 VAL -1 HG13 VAL -1 9.775 -16.903 -0.167 49 HG21 VAL -1 HG21 VAL -1 11.147 -19.878 1.473 50 HG22 VAL -1 HG22 VAL -1 11.338 -18.173 1.127 51 HG23 VAL -1 HG23 VAL -1 10.146 -18.698 2.312 52 H ALA 0 HN ALA 0 6.254 -18.823 0.260 53 HA ALA 0 HA ALA 0 5.659 -19.812 -2.473 54 HB1 ALA 0 HB1 ALA 0 3.337 -20.357 -1.752 55 HB2 ALA 0 HB2 ALA 0 4.480 -21.300 -0.815 56 HB3 ALA 0 HB3 ALA 0 3.713 -19.888 -0.096 57 H MET 1 HN MET 1 3.396 -18.668 -3.025 58 HA MET 1 HA MET 1 3.916 -15.852 -3.252 59 HB2 MET 1 HB2 MET 1 1.924 -15.875 -4.683 60 HB3 MET 1 HB3 MET 1 3.013 -17.147 -5.100 61 HG2 MET 1 HG2 MET 1 1.597 -18.849 -4.440 62 HG3 MET 1 HG3 MET 1 0.853 -17.950 -3.154 63 HE1 MET 1 HE1 MET 1 -0.372 -15.310 -4.333 64 HE2 MET 1 HE2 MET 1 -1.965 -15.913 -4.789 65 HE3 MET 1 HE3 MET 1 -1.216 -16.459 -3.282 66 H SER 2 HN SER 2 3.473 -16.666 -0.435 67 HA SER 2 HA SER 2 1.003 -15.306 0.348 68 HB2 SER 2 HB2 SER 2 1.959 -17.139 1.744 69 HB3 SER 2 HB3 SER 2 3.430 -16.217 1.978 70 HG SER 2 HG SER 2 0.811 -15.576 2.842 71 H PHE 3 HN PHE 3 0.843 -13.126 0.704 72 HA PHE 3 HA PHE 3 2.766 -11.312 -0.309 73 HB2 PHE 3 HB2 PHE 3 0.337 -10.888 1.490 74 HB3 PHE 3 HB3 PHE 3 1.325 -9.596 0.891 75 HD1 PHE 3 HD1 PHE 3 -0.351 -12.559 -0.819 76 HD2 PHE 3 HD2 PHE 3 0.305 -8.285 -0.632 77 HE1 PHE 3 HE1 PHE 3 -1.971 -12.204 -2.617 78 HE2 PHE 3 HE2 PHE 3 -1.319 -7.984 -2.447 79 HZ PHE 3 HZ PHE 3 -2.508 -9.922 -3.376 80 H SER 4 HN SER 4 2.689 -12.806 2.812 81 HA SER 4 HA SER 4 3.579 -10.800 4.472 82 HB2 SER 4 HB2 SER 4 4.137 -12.633 6.020 83 HB3 SER 4 HB3 SER 4 2.617 -12.943 5.220 84 HG SER 4 HG SER 4 3.565 -14.467 3.959 85 H GLY 5 HN GLY 5 5.503 -10.057 5.272 86 HA2 GLY 5 HA2 GLY 5 7.967 -10.586 5.510 87 HA3 GLY 5 HA1 GLY 5 8.027 -10.668 3.756 88 H LYS 6 HN LYS 6 9.680 -8.921 4.846 89 HA LYS 6 HA LYS 6 8.650 -6.177 4.847 90 HB2 LYS 6 HB2 LYS 6 11.449 -7.405 4.906 91 HB3 LYS 6 HB3 LYS 6 11.152 -5.682 4.889 92 HG2 LYS 6 HG2 LYS 6 9.837 -5.840 6.969 93 HG3 LYS 6 HG3 LYS 6 10.206 -7.535 7.105 94 HD2 LYS 6 HD2 LYS 6 12.277 -5.277 7.095 95 HD3 LYS 6 HD3 LYS 6 11.624 -6.015 8.520 96 HE2 LYS 6 HE2 LYS 6 13.696 -7.093 8.271 97 HE3 LYS 6 HE3 LYS 6 12.577 -8.283 7.640 98 HZ1 LYS 6 HZ1 LYS 6 14.506 -7.977 6.269 99 HZ2 LYS 6 HZ2 LYS 6 14.173 -6.376 6.061 100 HZ3 LYS 6 HZ3 LYS 6 13.166 -7.523 5.430 101 H TYR 7 HN TYR 7 8.821 -4.732 3.152 102 HA TYR 7 HA TYR 7 10.381 -5.412 0.749 103 HB2 TYR 7 HB2 TYR 7 7.497 -4.388 0.570 104 HB3 TYR 7 HB3 TYR 7 8.572 -4.741 -0.754 105 HD1 TYR 7 HD1 TYR 7 8.694 -6.968 -1.687 106 HD2 TYR 7 HD2 TYR 7 6.540 -6.225 1.977 107 HE1 TYR 7 HE1 TYR 7 7.718 -9.246 -1.796 108 HE2 TYR 7 HE2 TYR 7 5.594 -8.488 1.885 109 HH TYR 7 HH TYR 7 5.389 -10.426 0.652 110 H GLN 8 HN GLN 8 11.826 -3.772 0.679 111 HA GLN 8 HA GLN 8 11.414 -1.169 1.806 112 HB2 GLN 8 HB2 GLN 8 13.637 -2.287 1.347 113 HB3 GLN 8 HB3 GLN 8 13.349 -2.089 -0.357 114 HG2 GLN 8 HG2 GLN 8 13.100 0.534 0.354 115 HG3 GLN 8 HG3 GLN 8 13.964 0.010 1.761 116 HE21 GLN 8 HE21 GLN 8 14.239 1.178 -1.390 117 HE22 GLN 8 HE22 GLN 8 15.917 0.787 -1.681 118 H LEU 9 HN LEU 9 10.797 0.782 0.745 119 HA LEU 9 HA LEU 9 9.250 0.606 -1.710 120 HB2 LEU 9 HB2 LEU 9 8.689 2.029 0.224 121 HB3 LEU 9 HB3 LEU 9 10.116 2.991 0.001 122 HG LEU 9 HG LEU 9 8.121 2.671 -2.267 123 HD11 LEU 9 HD11 LEU 9 6.522 3.369 -0.772 124 HD12 LEU 9 HD12 LEU 9 7.139 4.946 -1.224 125 HD13 LEU 9 HD13 LEU 9 7.660 4.201 0.282 126 HD21 LEU 9 HD21 LEU 9 9.310 4.303 -3.293 127 HD22 LEU 9 HD22 LEU 9 10.531 4.165 -2.041 128 HD23 LEU 9 HD23 LEU 9 9.273 5.350 -1.879 129 H GLN 10 HN GLN 10 9.971 0.931 -3.754 130 HA GLN 10 HA GLN 10 12.859 1.516 -4.160 131 HB2 GLN 10 HB2 GLN 10 10.767 0.493 -6.143 132 HB3 GLN 10 HB3 GLN 10 12.472 0.639 -6.414 133 HG2 GLN 10 HG2 GLN 10 11.015 -1.359 -4.674 134 HG3 GLN 10 HG3 GLN 10 12.027 -1.680 -6.049 135 HE21 GLN 10 HE21 GLN 10 14.457 -0.746 -5.662 136 HE22 GLN 10 HE22 GLN 10 15.127 -1.194 -4.115 137 H SER 11 HN SER 11 9.640 2.478 -5.506 138 HA SER 11 HA SER 11 10.443 5.232 -5.929 139 HB2 SER 11 HB2 SER 11 10.476 3.172 -8.191 140 HB3 SER 11 HB3 SER 11 9.875 4.775 -8.548 141 HG SER 11 HG SER 11 12.382 4.247 -7.372 142 H GLN 12 HN GLN 12 8.724 6.515 -6.946 143 HA GLN 12 HA GLN 12 6.157 5.330 -7.263 144 HB2 GLN 12 HB2 GLN 12 4.958 6.534 -5.569 145 HB3 GLN 12 HB3 GLN 12 6.093 5.466 -4.806 146 HG2 GLN 12 HG2 GLN 12 6.766 8.441 -5.167 147 HG3 GLN 12 HG3 GLN 12 5.632 7.915 -3.956 148 HE21 GLN 12 HE21 GLN 12 6.570 8.082 -2.001 149 HE22 GLN 12 HE22 GLN 12 8.178 7.523 -1.622 150 H GLU 13 HN GLU 13 4.765 6.502 -8.450 151 HA GLU 13 HA GLU 13 5.713 9.093 -9.606 152 HB2 GLU 13 HB2 GLU 13 4.481 6.587 -10.814 153 HB3 GLU 13 HB3 GLU 13 4.167 8.116 -11.562 154 HG2 GLU 13 HG2 GLU 13 6.031 7.069 -12.695 155 HG3 GLU 13 HG3 GLU 13 6.588 8.521 -11.906 156 H ASN 14 HN ASN 14 4.238 10.681 -9.951 157 HA ASN 14 HA ASN 14 2.689 12.087 -9.426 158 HB2 ASN 14 HB2 ASN 14 0.784 9.686 -9.583 159 HB3 ASN 14 HB3 ASN 14 0.212 11.310 -9.353 160 HD21 ASN 14 HD21 ASN 14 0.310 9.170 -11.710 161 HD22 ASN 14 HD22 ASN 14 0.561 10.226 -13.081 162 H PHE 15 HN PHE 15 4.260 11.029 -7.321 163 HA PHE 15 HA PHE 15 2.767 10.590 -4.933 164 HB2 PHE 15 HB2 PHE 15 5.057 9.864 -5.140 165 HB3 PHE 15 HB3 PHE 15 5.637 11.466 -5.464 166 HD1 PHE 15 HD1 PHE 15 4.299 9.224 -2.785 167 HD2 PHE 15 HD2 PHE 15 5.892 13.137 -3.651 168 HE1 PHE 15 HE1 PHE 15 4.595 9.651 -0.389 169 HE2 PHE 15 HE2 PHE 15 6.102 13.546 -1.241 170 HZ PHE 15 HZ PHE 15 5.503 11.807 0.387 171 H GLU 16 HN GLU 16 4.238 13.548 -6.334 172 HA GLU 16 HA GLU 16 3.646 15.260 -4.195 173 HB2 GLU 16 HB2 GLU 16 3.878 16.195 -7.085 174 HB3 GLU 16 HB3 GLU 16 4.281 17.041 -5.634 175 HG2 GLU 16 HG2 GLU 16 6.382 16.522 -6.416 176 HG3 GLU 16 HG3 GLU 16 6.151 15.223 -5.278 177 H ALA 17 HN ALA 17 1.839 14.432 -7.146 178 HA ALA 17 HA ALA 17 -0.333 16.240 -6.838 179 HB1 ALA 17 HB1 ALA 17 -0.112 13.589 -8.358 180 HB2 ALA 17 HB2 ALA 17 -1.396 14.776 -8.565 181 HB3 ALA 17 HB3 ALA 17 0.257 15.188 -8.998 182 H PHE 18 HN PHE 18 0.111 12.805 -5.842 183 HA PHE 18 HA PHE 18 -2.569 12.510 -4.862 184 HB2 PHE 18 HB2 PHE 18 -1.245 10.703 -5.845 185 HB3 PHE 18 HB3 PHE 18 -0.072 10.784 -4.565 186 HD1 PHE 18 HD1 PHE 18 -3.575 9.851 -5.424 187 HD2 PHE 18 HD2 PHE 18 -0.550 9.786 -2.349 188 HE1 PHE 18 HE1 PHE 18 -4.910 8.253 -4.119 189 HE2 PHE 18 HE2 PHE 18 -1.923 8.200 -1.058 190 HZ PHE 18 HZ PHE 18 -4.083 7.425 -1.944 191 H MET 19 HN MET 19 0.583 13.085 -3.240 192 HA MET 19 HA MET 19 -0.487 12.916 -0.612 193 HB2 MET 19 HB2 MET 19 1.978 12.672 -1.510 194 HB3 MET 19 HB3 MET 19 2.072 14.380 -1.291 195 HG2 MET 19 HG2 MET 19 2.665 13.833 0.865 196 HG3 MET 19 HG3 MET 19 0.979 13.527 1.152 197 HE1 MET 19 HE1 MET 19 1.104 9.473 0.403 198 HE2 MET 19 HE2 MET 19 -0.004 10.845 0.404 199 HE3 MET 19 HE3 MET 19 1.118 10.609 -0.944 200 H LYS 20 HN LYS 20 -0.313 15.523 -2.982 201 HA LYS 20 HA LYS 20 -1.121 17.646 -1.168 202 HB2 LYS 20 HB2 LYS 20 0.211 18.170 -3.103 203 HB3 LYS 20 HB3 LYS 20 -0.879 17.345 -4.169 204 HG2 LYS 20 HG2 LYS 20 -2.149 19.606 -2.692 205 HG3 LYS 20 HG3 LYS 20 -0.808 20.084 -3.674 206 HD2 LYS 20 HD2 LYS 20 -3.101 18.390 -4.763 207 HD3 LYS 20 HD3 LYS 20 -3.106 20.132 -4.805 208 HE2 LYS 20 HE2 LYS 20 -1.069 20.155 -6.231 209 HE3 LYS 20 HE3 LYS 20 -0.920 18.416 -6.123 210 HZ1 LYS 20 HZ1 LYS 20 -3.172 19.835 -7.333 211 HZ2 LYS 20 HZ2 LYS 20 -3.024 18.198 -7.211 212 HZ3 LYS 20 HZ3 LYS 20 -1.960 19.057 -8.132 213 H ALA 21 HN ALA 21 -2.757 15.359 -3.412 214 HA ALA 21 HA ALA 21 -5.310 16.576 -3.312 215 HB1 ALA 21 HB1 ALA 21 -4.637 15.103 -5.149 216 HB2 ALA 21 HB2 ALA 21 -4.497 13.723 -4.057 217 HB3 ALA 21 HB3 ALA 21 -6.067 14.449 -4.383 218 H ILE 22 HN ILE 22 -3.831 14.128 -1.164 219 HA ILE 22 HA ILE 22 -6.302 13.604 0.276 220 HB ILE 22 HB ILE 22 -4.821 12.523 1.948 221 HG12 ILE 22 HG12 ILE 22 -2.517 13.143 0.093 222 HG13 ILE 22 HG13 ILE 22 -2.778 14.006 1.572 223 HG21 ILE 22 HG21 ILE 22 -4.249 10.581 0.583 224 HG22 ILE 22 HG22 ILE 22 -5.766 11.260 0.029 225 HG23 ILE 22 HG23 ILE 22 -4.295 11.545 -0.888 226 HD11 ILE 22 HD11 ILE 22 -1.114 12.339 2.015 227 HD12 ILE 22 HD12 ILE 22 -2.586 11.886 2.864 228 HD13 ILE 22 HD13 ILE 22 -2.127 11.050 1.373 229 H GLY 23 HN GLY 23 -3.870 16.131 0.408 230 HA2 GLY 23 HA2 GLY 23 -4.228 18.151 1.482 231 HA3 GLY 23 HA1 GLY 23 -5.348 17.439 2.615 232 H LEU 24 HN LEU 24 -2.127 15.913 2.052 233 HA LEU 24 HA LEU 24 -1.206 16.521 4.734 234 HB2 LEU 24 HB2 LEU 24 -0.337 14.844 2.453 235 HB3 LEU 24 HB3 LEU 24 1.003 15.718 3.112 236 HG LEU 24 HG LEU 24 0.452 14.839 5.376 237 HD11 LEU 24 HD11 LEU 24 -1.995 13.929 4.121 238 HD12 LEU 24 HD12 LEU 24 -1.539 13.904 5.817 239 HD13 LEU 24 HD13 LEU 24 -1.148 12.547 4.781 240 HD21 LEU 24 HD21 LEU 24 1.938 13.640 3.420 241 HD22 LEU 24 HD22 LEU 24 0.852 12.328 3.828 242 HD23 LEU 24 HD23 LEU 24 1.837 13.081 5.075 243 HA PRO 25 HA PRO 25 0.422 20.567 3.766 244 HB2 PRO 25 HB2 PRO 25 2.476 20.815 5.595 245 HB3 PRO 25 HB3 PRO 25 0.779 20.798 6.049 246 HG2 PRO 25 HG2 PRO 25 2.698 18.457 6.051 247 HG3 PRO 25 HG3 PRO 25 1.683 18.987 7.392 248 HD2 PRO 25 HD2 PRO 25 0.886 16.985 5.762 249 HD3 PRO 25 HD3 PRO 25 -0.312 18.183 6.280 250 H GLU 26 HN GLU 26 1.816 21.439 2.281 251 HA GLU 26 HA GLU 26 3.264 19.882 0.554 252 HB2 GLU 26 HB2 GLU 26 2.368 22.119 0.045 253 HB3 GLU 26 HB3 GLU 26 3.539 22.859 1.099 254 HG2 GLU 26 HG2 GLU 26 5.402 22.002 -0.440 255 HG3 GLU 26 HG3 GLU 26 4.180 21.303 -1.476 256 H GLU 27 HN GLU 27 4.513 21.375 3.502 257 HA GLU 27 HA GLU 27 7.250 21.162 3.026 258 HB2 GLU 27 HB2 GLU 27 5.837 22.289 4.957 259 HB3 GLU 27 HB3 GLU 27 5.894 20.746 5.737 260 HG2 GLU 27 HG2 GLU 27 7.672 22.083 6.656 261 HG3 GLU 27 HG3 GLU 27 8.436 20.847 5.689 262 H LEU 28 HN LEU 28 5.005 18.746 4.508 263 HA LEU 28 HA LEU 28 7.024 16.680 4.702 264 HB2 LEU 28 HB2 LEU 28 3.990 16.658 5.020 265 HB3 LEU 28 HB3 LEU 28 4.984 15.259 5.302 266 HG LEU 28 HG LEU 28 5.220 17.868 6.834 267 HD11 LEU 28 HD11 LEU 28 3.232 15.903 7.128 268 HD12 LEU 28 HD12 LEU 28 3.660 17.153 8.279 269 HD13 LEU 28 HD13 LEU 28 4.356 15.546 8.419 270 HD21 LEU 28 HD21 LEU 28 7.044 15.541 6.716 271 HD22 LEU 28 HD22 LEU 28 6.536 15.901 8.352 272 HD23 LEU 28 HD23 LEU 28 7.298 17.146 7.385 273 H ILE 29 HN ILE 29 5.016 17.766 2.054 274 HA ILE 29 HA ILE 29 5.116 15.248 0.592 275 HB ILE 29 HB ILE 29 4.716 18.075 -0.488 276 HG12 ILE 29 HG12 ILE 29 2.626 15.987 0.213 277 HG13 ILE 29 HG13 ILE 29 2.928 17.422 1.122 278 HG21 ILE 29 HG21 ILE 29 5.462 16.542 -2.305 279 HG22 ILE 29 HG22 ILE 29 4.203 15.398 -1.858 280 HG23 ILE 29 HG23 ILE 29 3.795 16.976 -2.521 281 HD11 ILE 29 HD11 ILE 29 2.418 18.683 -1.191 282 HD12 ILE 29 HD12 ILE 29 1.629 17.164 -1.577 283 HD13 ILE 29 HD13 ILE 29 1.103 18.095 -0.177 284 H GLN 30 HN GLN 30 6.895 18.414 0.392 285 HA GLN 30 HA GLN 30 8.727 17.440 -1.546 286 HB2 GLN 30 HB2 GLN 30 8.893 19.910 0.244 287 HB3 GLN 30 HB3 GLN 30 9.903 19.617 -1.138 288 HG2 GLN 30 HG2 GLN 30 6.929 20.234 -1.120 289 HG3 GLN 30 HG3 GLN 30 8.205 21.175 -1.823 290 HE21 GLN 30 HE21 GLN 30 5.598 19.577 -2.736 291 HE22 GLN 30 HE22 GLN 30 6.127 18.861 -4.235 292 H LYS 31 HN LYS 31 8.837 17.303 1.959 293 HA LYS 31 HA LYS 31 11.660 16.511 2.042 294 HB2 LYS 31 HB2 LYS 31 9.438 16.590 4.123 295 HB3 LYS 31 HB3 LYS 31 11.058 16.055 4.475 296 HG2 LYS 31 HG2 LYS 31 12.015 18.231 4.000 297 HG3 LYS 31 HG3 LYS 31 10.546 18.820 3.301 298 HD2 LYS 31 HD2 LYS 31 10.589 19.810 5.439 299 HD3 LYS 31 HD3 LYS 31 9.400 18.553 5.560 300 HE2 LYS 31 HE2 LYS 31 10.696 18.485 7.579 301 HE3 LYS 31 HE3 LYS 31 11.127 17.051 6.673 302 HZ1 LYS 31 HZ1 LYS 31 13.078 18.228 5.899 303 HZ2 LYS 31 HZ2 LYS 31 13.034 18.178 7.548 304 HZ3 LYS 31 HZ3 LYS 31 12.643 19.569 6.752 305 H GLY 32 HN GLY 32 8.432 14.941 2.081 306 HA2 GLY 32 HA2 GLY 32 9.384 12.372 2.969 307 HA3 GLY 32 HA1 GLY 32 7.778 12.790 2.419 308 H LYS 33 HN LYS 33 8.941 13.810 -0.281 309 HA LYS 33 HA LYS 33 8.645 11.437 -1.783 310 HB2 LYS 33 HB2 LYS 33 9.292 12.828 -3.704 311 HB3 LYS 33 HB3 LYS 33 8.096 13.615 -2.722 312 HG2 LYS 33 HG2 LYS 33 9.735 15.127 -1.760 313 HG3 LYS 33 HG3 LYS 33 11.058 14.282 -2.507 314 HD2 LYS 33 HD2 LYS 33 10.223 14.897 -4.767 315 HD3 LYS 33 HD3 LYS 33 8.871 15.726 -4.051 316 HE2 LYS 33 HE2 LYS 33 10.660 17.311 -4.732 317 HE3 LYS 33 HE3 LYS 33 10.372 17.405 -3.013 318 HZ1 LYS 33 HZ1 LYS 33 12.285 16.049 -2.627 319 HZ2 LYS 33 HZ2 LYS 33 12.676 17.380 -3.508 320 HZ3 LYS 33 HZ3 LYS 33 12.563 15.905 -4.236 321 H ASP 34 HN ASP 34 11.538 13.014 -0.518 322 HA ASP 34 HA ASP 34 13.414 11.449 -2.080 323 HB2 ASP 34 HB2 ASP 34 13.963 13.302 0.265 324 HB3 ASP 34 HB3 ASP 34 15.152 12.729 -0.881 325 H ILE 35 HN ILE 35 11.774 10.992 0.955 326 HA ILE 35 HA ILE 35 13.790 9.097 1.994 327 HB ILE 35 HB ILE 35 11.088 9.940 3.135 328 HG12 ILE 35 HG12 ILE 35 12.498 11.880 3.108 329 HG13 ILE 35 HG13 ILE 35 12.266 11.333 4.730 330 HG21 ILE 35 HG21 ILE 35 13.323 8.271 4.376 331 HG22 ILE 35 HG22 ILE 35 12.005 8.973 5.296 332 HG23 ILE 35 HG23 ILE 35 11.669 7.764 4.074 333 HD11 ILE 35 HD11 ILE 35 14.799 11.044 3.038 334 HD12 ILE 35 HD12 ILE 35 14.587 11.988 4.504 335 HD13 ILE 35 HD13 ILE 35 14.610 10.234 4.593 336 H LYS 36 HN LYS 36 13.769 7.332 0.645 337 HA LYS 36 HA LYS 36 11.300 5.901 -0.027 338 HB2 LYS 36 HB2 LYS 36 14.250 5.119 -0.341 339 HB3 LYS 36 HB3 LYS 36 12.887 4.153 -0.798 340 HG2 LYS 36 HG2 LYS 36 13.214 5.052 -2.830 341 HG3 LYS 36 HG3 LYS 36 12.166 6.302 -2.224 342 HD2 LYS 36 HD2 LYS 36 14.195 7.654 -1.571 343 HD3 LYS 36 HD3 LYS 36 15.226 6.383 -2.174 344 HE2 LYS 36 HE2 LYS 36 14.189 6.695 -4.479 345 HE3 LYS 36 HE3 LYS 36 13.273 8.052 -3.841 346 HZ1 LYS 36 HZ1 LYS 36 15.355 9.102 -3.280 347 HZ2 LYS 36 HZ2 LYS 36 15.278 8.756 -4.891 348 HZ3 LYS 36 HZ3 LYS 36 16.202 7.825 -3.890 349 H GLY 37 HN GLY 37 10.240 5.108 1.681 350 HA2 GLY 37 HA2 GLY 37 11.566 4.179 4.130 351 HA3 GLY 37 HA1 GLY 37 9.857 4.326 3.789 352 H VAL 38 HN VAL 38 9.485 2.272 4.704 353 HA VAL 38 HA VAL 38 9.971 -0.046 2.932 354 HB VAL 38 HB VAL 38 10.393 0.047 5.969 355 HG11 VAL 38 HG11 VAL 38 10.414 -2.413 4.169 356 HG12 VAL 38 HG12 VAL 38 11.071 -2.383 5.798 357 HG13 VAL 38 HG13 VAL 38 9.366 -2.111 5.559 358 HG21 VAL 38 HG21 VAL 38 12.403 0.873 4.846 359 HG22 VAL 38 HG22 VAL 38 12.722 -0.712 5.509 360 HG23 VAL 38 HG23 VAL 38 12.437 -0.532 3.784 361 H SER 39 HN SER 39 8.313 -1.495 2.886 362 HA SER 39 HA SER 39 5.899 -1.022 4.577 363 HB2 SER 39 HB2 SER 39 6.181 -2.064 1.699 364 HB3 SER 39 HB3 SER 39 4.720 -2.239 2.655 365 HG SER 39 HG SER 39 5.978 0.203 1.993 366 H GLU 40 HN GLU 40 4.955 -2.923 5.468 367 HA GLU 40 HA GLU 40 6.447 -5.455 5.247 368 HB2 GLU 40 HB2 GLU 40 7.642 -4.173 6.967 369 HB3 GLU 40 HB3 GLU 40 6.168 -3.863 7.832 370 HG2 GLU 40 HG2 GLU 40 5.916 -6.347 8.268 371 HG3 GLU 40 HG3 GLU 40 7.413 -6.630 7.406 372 H ILE 41 HN ILE 41 5.059 -7.030 5.024 373 HA ILE 41 HA ILE 41 2.182 -6.535 5.670 374 HB ILE 41 HB ILE 41 3.445 -8.238 3.471 375 HG12 ILE 41 HG12 ILE 41 2.197 -5.487 3.121 376 HG13 ILE 41 HG13 ILE 41 3.907 -5.777 3.097 377 HG21 ILE 41 HG21 ILE 41 1.171 -9.052 3.968 378 HG22 ILE 41 HG22 ILE 41 0.535 -7.405 3.915 379 HG23 ILE 41 HG23 ILE 41 1.104 -8.172 2.465 380 HD11 ILE 41 HD11 ILE 41 3.476 -5.762 0.829 381 HD12 ILE 41 HD12 ILE 41 3.383 -7.489 1.140 382 HD13 ILE 41 HD13 ILE 41 1.909 -6.541 0.982 383 H VAL 42 HN VAL 42 0.957 -8.353 6.444 384 HA VAL 42 HA VAL 42 2.357 -10.919 6.852 385 HB VAL 42 HB VAL 42 0.806 -9.683 9.175 386 HG11 VAL 42 HG11 VAL 42 1.673 -11.577 10.468 387 HG12 VAL 42 HG12 VAL 42 0.781 -12.175 9.081 388 HG13 VAL 42 HG13 VAL 42 2.535 -12.182 9.058 389 HG21 VAL 42 HG21 VAL 42 3.833 -9.850 8.927 390 HG22 VAL 42 HG22 VAL 42 2.871 -8.375 9.039 391 HG23 VAL 42 HG23 VAL 42 2.947 -9.472 10.401 392 H GLN 43 HN GLN 43 1.091 -11.849 5.273 393 HA GLN 43 HA GLN 43 -1.821 -11.859 5.463 394 HB2 GLN 43 HB2 GLN 43 -0.738 -12.051 3.299 395 HB3 GLN 43 HB3 GLN 43 0.150 -13.466 3.793 396 HG2 GLN 43 HG2 GLN 43 -1.982 -14.770 3.995 397 HG3 GLN 43 HG3 GLN 43 -2.912 -13.322 3.669 398 HE21 GLN 43 HE21 GLN 43 -3.845 -14.839 2.004 399 HE22 GLN 43 HE22 GLN 43 -3.057 -14.918 0.449 400 H ASN 44 HN ASN 44 -3.024 -13.233 6.595 401 HA ASN 44 HA ASN 44 -1.914 -15.681 7.799 402 HB2 ASN 44 HB2 ASN 44 -3.211 -13.283 9.179 403 HB3 ASN 44 HB3 ASN 44 -3.618 -14.864 9.790 404 HD21 ASN 44 HD21 ASN 44 -1.508 -12.425 10.380 405 HD22 ASN 44 HD22 ASN 44 -0.284 -13.367 11.191 406 H GLY 45 HN GLY 45 -2.967 -16.224 5.633 407 HA2 GLY 45 HA2 GLY 45 -4.596 -17.369 4.520 408 HA3 GLY 45 HA1 GLY 45 -5.508 -17.499 6.015 409 H LYS 46 HN LYS 46 -7.270 -16.152 6.316 410 HA LYS 46 HA LYS 46 -8.166 -14.383 4.167 411 HB2 LYS 46 HB2 LYS 46 -9.410 -15.044 6.868 412 HB3 LYS 46 HB3 LYS 46 -10.190 -14.185 5.569 413 HG2 LYS 46 HG2 LYS 46 -9.361 -17.121 5.523 414 HG3 LYS 46 HG3 LYS 46 -10.955 -16.489 5.729 415 HD2 LYS 46 HD2 LYS 46 -11.134 -16.964 3.507 416 HD3 LYS 46 HD3 LYS 46 -10.578 -15.330 3.377 417 HE2 LYS 46 HE2 LYS 46 -9.406 -16.759 1.768 418 HE3 LYS 46 HE3 LYS 46 -8.240 -16.121 2.892 419 HZ1 LYS 46 HZ1 LYS 46 -7.915 -18.423 2.514 420 HZ2 LYS 46 HZ2 LYS 46 -9.443 -18.789 3.013 421 HZ3 LYS 46 HZ3 LYS 46 -8.344 -18.194 4.089 422 H HIS 47 HN HIS 47 -6.652 -13.974 7.396 423 HA HIS 47 HA HIS 47 -7.234 -11.120 7.384 424 HB2 HIS 47 HB2 HIS 47 -7.054 -12.544 9.480 425 HB3 HIS 47 HB3 HIS 47 -5.327 -12.568 9.244 426 HD1 HIS 47 HD1 HIS 47 -8.218 -10.087 9.690 427 HD2 HIS 47 HD2 HIS 47 -4.028 -10.174 10.205 428 HE1 HIS 47 HE1 HIS 47 -7.505 -7.923 10.777 429 H PHE 48 HN PHE 48 -5.721 -9.463 7.253 430 HA PHE 48 HA PHE 48 -3.043 -9.910 6.094 431 HB2 PHE 48 HB2 PHE 48 -5.390 -8.460 4.848 432 HB3 PHE 48 HB3 PHE 48 -3.788 -7.862 4.555 433 HD1 PHE 48 HD1 PHE 48 -2.165 -9.070 3.166 434 HD2 PHE 48 HD2 PHE 48 -6.116 -10.654 3.856 435 HE1 PHE 48 HE1 PHE 48 -1.958 -10.518 1.187 436 HE2 PHE 48 HE2 PHE 48 -5.865 -12.100 1.880 437 HZ PHE 48 HZ PHE 48 -3.806 -11.994 0.521 438 H LYS 49 HN LYS 49 -1.681 -8.734 7.292 439 HA LYS 49 HA LYS 49 -2.562 -6.135 8.470 440 HB2 LYS 49 HB2 LYS 49 -1.384 -7.894 9.920 441 HB3 LYS 49 HB3 LYS 49 0.024 -7.678 8.905 442 HG2 LYS 49 HG2 LYS 49 -0.089 -5.152 9.532 443 HG3 LYS 49 HG3 LYS 49 -1.299 -5.592 10.691 444 HD2 LYS 49 HD2 LYS 49 1.599 -6.539 10.597 445 HD3 LYS 49 HD3 LYS 49 0.927 -5.377 11.704 446 HE2 LYS 49 HE2 LYS 49 -0.544 -7.194 12.689 447 HE3 LYS 49 HE3 LYS 49 0.225 -8.360 11.624 448 HZ1 LYS 49 HZ1 LYS 49 1.238 -8.325 13.760 449 HZ2 LYS 49 HZ2 LYS 49 1.596 -6.722 13.627 450 HZ3 LYS 49 HZ3 LYS 49 2.323 -7.813 12.627 451 H PHE 50 HN PHE 50 -1.560 -4.263 7.761 452 HA PHE 50 HA PHE 50 0.635 -4.365 5.768 453 HB2 PHE 50 HB2 PHE 50 -2.117 -3.161 5.400 454 HB3 PHE 50 HB3 PHE 50 -0.762 -2.279 4.769 455 HD1 PHE 50 HD1 PHE 50 -2.595 -5.526 4.522 456 HD2 PHE 50 HD2 PHE 50 0.448 -2.992 2.804 457 HE1 PHE 50 HE1 PHE 50 -2.558 -6.909 2.486 458 HE2 PHE 50 HE2 PHE 50 0.454 -4.400 0.786 459 HZ PHE 50 HZ PHE 50 -1.046 -6.349 0.625 460 H THR 51 HN THR 51 2.239 -3.503 6.938 461 HA THR 51 HA THR 51 1.787 -0.950 8.395 462 HB THR 51 HB THR 51 4.178 -2.858 8.372 463 HG1 THR 51 HG1 THR 51 3.499 -3.110 10.582 464 HG21 THR 51 HG21 THR 51 5.034 -1.532 10.316 465 HG22 THR 51 HG22 THR 51 3.761 -0.343 10.068 466 HG23 THR 51 HG23 THR 51 5.021 -0.568 8.855 467 H ILE 52 HN ILE 52 2.795 0.923 7.625 468 HA ILE 52 HA ILE 52 4.727 0.750 5.370 469 HB ILE 52 HB ILE 52 2.375 2.696 5.444 470 HG12 ILE 52 HG12 ILE 52 2.788 0.452 3.444 471 HG13 ILE 52 HG13 ILE 52 1.658 0.375 4.761 472 HG21 ILE 52 HG21 ILE 52 3.186 3.472 3.225 473 HG22 ILE 52 HG22 ILE 52 4.401 3.740 4.445 474 HG23 ILE 52 HG23 ILE 52 4.562 2.381 3.338 475 HD11 ILE 52 HD11 ILE 52 0.775 2.714 3.674 476 HD12 ILE 52 HD12 ILE 52 1.409 1.920 2.231 477 HD13 ILE 52 HD13 ILE 52 0.176 1.129 3.202 478 H THR 53 HN THR 53 6.530 1.752 6.073 479 HA THR 53 HA THR 53 6.312 4.000 8.037 480 HB THR 53 HB THR 53 8.369 1.735 7.879 481 HG1 THR 53 HG1 THR 53 6.442 1.192 8.868 482 HG21 THR 53 HG21 THR 53 9.594 3.772 8.598 483 HG22 THR 53 HG22 THR 53 9.324 2.744 9.990 484 HG23 THR 53 HG23 THR 53 8.319 4.169 9.745 485 H ALA 54 HN ALA 54 6.786 5.824 6.885 486 HA ALA 54 HA ALA 54 9.306 6.028 5.444 487 HB1 ALA 54 HB1 ALA 54 7.719 5.054 3.681 488 HB2 ALA 54 HB2 ALA 54 6.667 6.436 3.913 489 HB3 ALA 54 HB3 ALA 54 8.291 6.666 3.273 490 H GLY 55 HN GLY 55 10.083 8.079 5.592 491 HA2 GLY 55 HA2 GLY 55 10.092 10.380 5.696 492 HA3 GLY 55 HA1 GLY 55 8.346 10.420 5.723 493 H SER 56 HN SER 56 10.012 8.389 8.094 494 HA SER 56 HA SER 56 10.261 8.386 10.262 495 HB2 SER 56 HB2 SER 56 11.644 10.460 9.882 496 HB3 SER 56 HB3 SER 56 10.252 11.448 10.279 497 HG SER 56 HG SER 56 10.222 10.484 12.323 498 H LYS 57 HN LYS 57 7.747 7.945 9.252 499 HA LYS 57 HA LYS 57 6.217 8.193 11.701 500 HB2 LYS 57 HB2 LYS 57 4.188 9.058 10.702 501 HB3 LYS 57 HB3 LYS 57 5.472 10.186 10.431 502 HG2 LYS 57 HG2 LYS 57 4.569 10.255 8.333 503 HG3 LYS 57 HG3 LYS 57 5.681 8.964 8.078 504 HD2 LYS 57 HD2 LYS 57 3.744 8.079 7.117 505 HD3 LYS 57 HD3 LYS 57 3.675 7.357 8.685 506 HE2 LYS 57 HE2 LYS 57 1.464 8.133 8.319 507 HE3 LYS 57 HE3 LYS 57 2.132 9.300 9.432 508 HZ1 LYS 57 HZ1 LYS 57 2.540 10.725 7.534 509 HZ2 LYS 57 HZ2 LYS 57 0.950 10.295 7.609 510 HZ3 LYS 57 HZ3 LYS 57 1.944 9.581 6.507 511 H VAL 58 HN VAL 58 4.575 6.568 11.842 512 HA VAL 58 HA VAL 58 4.941 4.253 9.981 513 HB VAL 58 HB VAL 58 4.372 4.268 12.985 514 HG11 VAL 58 HG11 VAL 58 4.675 1.765 12.838 515 HG12 VAL 58 HG12 VAL 58 3.234 2.327 12.027 516 HG13 VAL 58 HG13 VAL 58 4.657 1.894 11.082 517 HG21 VAL 58 HG21 VAL 58 6.586 3.184 13.250 518 HG22 VAL 58 HG22 VAL 58 6.905 3.392 11.536 519 HG23 VAL 58 HG23 VAL 58 6.747 4.796 12.583 520 H ILE 59 HN ILE 59 3.146 3.386 9.172 521 HA ILE 59 HA ILE 59 0.417 4.231 10.052 522 HB ILE 59 HB ILE 59 1.497 3.341 7.341 523 HG12 ILE 59 HG12 ILE 59 0.204 6.033 7.608 524 HG13 ILE 59 HG13 ILE 59 1.789 5.869 8.278 525 HG21 ILE 59 HG21 ILE 59 -0.811 2.515 7.485 526 HG22 ILE 59 HG22 ILE 59 -1.381 4.125 7.917 527 HG23 ILE 59 HG23 ILE 59 -0.701 3.820 6.329 528 HD11 ILE 59 HD11 ILE 59 2.753 5.126 6.152 529 HD12 ILE 59 HD12 ILE 59 1.164 5.144 5.390 530 HD13 ILE 59 HD13 ILE 59 1.906 6.649 5.942 531 H GLN 60 HN GLN 60 -1.026 2.478 10.384 532 HA GLN 60 HA GLN 60 -0.151 -0.260 9.704 533 HB2 GLN 60 HB2 GLN 60 -0.843 0.658 12.522 534 HB3 GLN 60 HB3 GLN 60 -0.936 -1.010 12.019 535 HG2 GLN 60 HG2 GLN 60 1.514 -0.894 11.314 536 HG3 GLN 60 HG3 GLN 60 1.603 0.689 12.046 537 HE21 GLN 60 HE21 GLN 60 -0.070 0.153 14.395 538 HE22 GLN 60 HE22 GLN 60 0.853 -0.923 15.411 539 H ASN 61 HN ASN 61 -1.679 -1.578 9.104 540 HA ASN 61 HA ASN 61 -4.532 -0.862 9.380 541 HB2 ASN 61 HB2 ASN 61 -2.964 -1.577 6.824 542 HB3 ASN 61 HB3 ASN 61 -4.697 -1.727 6.925 543 HD21 ASN 61 HD21 ASN 61 -2.266 0.426 6.011 544 HD22 ASN 61 HD22 ASN 61 -3.238 1.878 6.018 545 H GLU 62 HN GLU 62 -5.843 -2.615 9.659 546 HA GLU 62 HA GLU 62 -4.863 -5.371 9.195 547 HB2 GLU 62 HB2 GLU 62 -6.040 -4.227 11.758 548 HB3 GLU 62 HB3 GLU 62 -6.530 -5.807 11.281 549 HG2 GLU 62 HG2 GLU 62 -4.807 -6.380 12.642 550 HG3 GLU 62 HG3 GLU 62 -3.958 -6.380 11.124 551 H PHE 63 HN PHE 63 -6.344 -6.620 8.159 552 HA PHE 63 HA PHE 63 -9.149 -6.096 8.271 553 HB2 PHE 63 HB2 PHE 63 -9.524 -5.698 5.859 554 HB3 PHE 63 HB3 PHE 63 -8.669 -4.381 6.586 555 HD1 PHE 63 HD1 PHE 63 -8.375 -7.312 4.294 556 HD2 PHE 63 HD2 PHE 63 -6.326 -3.888 5.946 557 HE1 PHE 63 HE1 PHE 63 -6.624 -7.502 2.576 558 HE2 PHE 63 HE2 PHE 63 -4.606 -4.101 4.201 559 HZ PHE 63 HZ PHE 63 -4.772 -5.886 2.505 560 H THR 64 HN THR 64 -10.443 -7.736 7.344 561 HA THR 64 HA THR 64 -9.015 -10.247 6.582 562 HB THR 64 HB THR 64 -11.708 -9.801 7.969 563 HG1 THR 64 HG1 THR 64 -10.677 -11.052 9.576 564 HG21 THR 64 HG21 THR 64 -11.971 -11.774 6.447 565 HG22 THR 64 HG22 THR 64 -11.888 -12.291 8.118 566 HG23 THR 64 HG23 THR 64 -10.474 -12.459 7.082 567 H VAL 65 HN VAL 65 -9.264 -10.776 4.457 568 HA VAL 65 HA VAL 65 -10.844 -9.110 2.790 569 HB VAL 65 HB VAL 65 -10.206 -10.533 0.915 570 HG11 VAL 65 HG11 VAL 65 -8.723 -8.741 1.542 571 HG12 VAL 65 HG12 VAL 65 -7.897 -9.750 2.718 572 HG13 VAL 65 HG13 VAL 65 -7.763 -10.106 0.998 573 HG21 VAL 65 HG21 VAL 65 -8.807 -12.410 2.853 574 HG22 VAL 65 HG22 VAL 65 -10.159 -12.812 1.804 575 HG23 VAL 65 HG23 VAL 65 -8.604 -12.402 1.114 576 H GLY 66 HN GLY 66 -12.772 -9.326 1.874 577 HA2 GLY 66 HA2 GLY 66 -14.766 -10.345 1.195 578 HA3 GLY 66 HA1 GLY 66 -14.453 -11.759 2.173 579 H GLU 67 HN GLU 67 -13.676 -9.494 4.404 580 HA GLU 67 HA GLU 67 -16.478 -9.016 5.346 581 HB2 GLU 67 HB2 GLU 67 -13.941 -9.629 6.937 582 HB3 GLU 67 HB3 GLU 67 -15.481 -9.199 7.632 583 HG2 GLU 67 HG2 GLU 67 -16.508 -11.257 6.557 584 HG3 GLU 67 HG3 GLU 67 -14.927 -11.710 5.962 585 H GLU 68 HN GLU 68 -16.747 -7.140 6.741 586 HA GLU 68 HA GLU 68 -15.377 -4.800 5.752 587 HB2 GLU 68 HB2 GLU 68 -17.804 -4.847 6.424 588 HB3 GLU 68 HB3 GLU 68 -17.324 -5.075 8.083 589 HG2 GLU 68 HG2 GLU 68 -16.003 -2.815 7.864 590 HG3 GLU 68 HG3 GLU 68 -16.778 -2.623 6.317 591 H CYS 69 HN CYS 69 -13.816 -3.633 6.666 592 HA CYS 69 HA CYS 69 -13.202 -3.707 9.468 593 HB2 CYS 69 HB2 CYS 69 -11.270 -4.927 7.486 594 HB3 CYS 69 HB3 CYS 69 -10.564 -3.832 8.650 595 HG CYS 69 HG CYS 69 -12.528 -6.387 9.267 596 H GLU 70 HN GLU 70 -11.104 -2.018 9.601 597 HA GLU 70 HA GLU 70 -12.169 0.379 8.165 598 HB2 GLU 70 HB2 GLU 70 -12.847 -0.188 10.657 599 HB3 GLU 70 HB3 GLU 70 -11.251 0.367 11.055 600 HG2 GLU 70 HG2 GLU 70 -11.761 2.563 9.890 601 HG3 GLU 70 HG3 GLU 70 -13.356 1.969 9.535 602 H LEU 71 HN LEU 71 -10.664 1.116 6.838 603 HA LEU 71 HA LEU 71 -7.813 0.580 7.320 604 HB2 LEU 71 HB2 LEU 71 -9.337 1.814 4.978 605 HB3 LEU 71 HB3 LEU 71 -7.603 1.673 5.025 606 HG LEU 71 HG LEU 71 -9.547 -0.652 5.079 607 HD11 LEU 71 HD11 LEU 71 -8.853 0.850 2.868 608 HD12 LEU 71 HD12 LEU 71 -9.364 -0.828 2.819 609 HD13 LEU 71 HD13 LEU 71 -7.656 -0.424 2.790 610 HD21 LEU 71 HD21 LEU 71 -7.097 -1.802 4.487 611 HD22 LEU 71 HD22 LEU 71 -7.843 -1.796 6.072 612 HD23 LEU 71 HD23 LEU 71 -6.628 -0.591 5.662 613 H GLU 72 HN GLU 72 -6.447 1.961 8.088 614 HA GLU 72 HA GLU 72 -6.981 4.774 8.663 615 HB2 GLU 72 HB2 GLU 72 -5.686 3.359 10.228 616 HB3 GLU 72 HB3 GLU 72 -4.572 2.910 8.972 617 HG2 GLU 72 HG2 GLU 72 -3.722 5.266 8.850 618 HG3 GLU 72 HG3 GLU 72 -4.883 5.752 10.071 619 H THR 73 HN THR 73 -5.893 6.487 7.668 620 HA THR 73 HA THR 73 -4.743 5.965 4.951 621 HB THR 73 HB THR 73 -5.727 8.096 4.277 622 HG1 THR 73 HG1 THR 73 -7.070 8.305 6.727 623 HG21 THR 73 HG21 THR 73 -8.103 7.522 4.249 624 HG22 THR 73 HG22 THR 73 -7.912 6.406 5.591 625 HG23 THR 73 HG23 THR 73 -7.136 6.062 4.073 626 H MET 74 HN MET 74 -3.532 7.982 4.212 627 HA MET 74 HA MET 74 -1.198 8.373 5.753 628 HB2 MET 74 HB2 MET 74 -2.399 9.756 3.332 629 HB3 MET 74 HB3 MET 74 -0.788 10.133 3.899 630 HG2 MET 74 HG2 MET 74 -1.683 7.343 3.018 631 HG3 MET 74 HG3 MET 74 -0.926 8.505 1.963 632 HE1 MET 74 HE1 MET 74 1.647 5.525 2.803 633 HE2 MET 74 HE2 MET 74 -0.109 5.375 2.951 634 HE3 MET 74 HE3 MET 74 0.595 6.189 1.542 635 H THR 75 HN THR 75 -4.188 10.311 5.548 636 HA THR 75 HA THR 75 -3.138 12.517 7.176 637 HB THR 75 HB THR 75 -5.495 13.338 7.067 638 HG1 THR 75 HG1 THR 75 -7.037 12.275 5.981 639 HG21 THR 75 HG21 THR 75 -4.398 12.620 4.314 640 HG22 THR 75 HG22 THR 75 -4.040 14.075 5.249 641 HG23 THR 75 HG23 THR 75 -5.665 13.795 4.656 642 H GLY 76 HN GLY 76 -4.230 9.357 7.818 643 HA2 GLY 76 HA2 GLY 76 -4.283 8.357 9.884 644 HA3 GLY 76 HA1 GLY 76 -4.468 9.894 10.696 645 H GLU 77 HN GLU 77 -6.819 10.280 8.461 646 HA GLU 77 HA GLU 77 -9.030 9.659 10.121 647 HB2 GLU 77 HB2 GLU 77 -8.799 10.239 7.133 648 HB3 GLU 77 HB3 GLU 77 -10.328 10.083 7.952 649 HG2 GLU 77 HG2 GLU 77 -9.756 12.015 9.442 650 HG3 GLU 77 HG3 GLU 77 -8.206 12.182 8.644 651 H LYS 78 HN LYS 78 -10.134 7.809 10.458 652 HA LYS 78 HA LYS 78 -9.537 5.438 8.792 653 HB2 LYS 78 HB2 LYS 78 -10.891 5.731 11.516 654 HB3 LYS 78 HB3 LYS 78 -10.683 4.259 10.630 655 HG2 LYS 78 HG2 LYS 78 -8.077 5.041 10.624 656 HG3 LYS 78 HG3 LYS 78 -8.605 5.883 12.042 657 HD2 LYS 78 HD2 LYS 78 -7.791 3.791 12.825 658 HD3 LYS 78 HD3 LYS 78 -9.529 3.661 12.924 659 HE2 LYS 78 HE2 LYS 78 -9.557 2.380 10.744 660 HE3 LYS 78 HE3 LYS 78 -7.820 2.528 10.642 661 HZ1 LYS 78 HZ1 LYS 78 -7.640 1.281 12.658 662 HZ2 LYS 78 HZ2 LYS 78 -8.495 0.451 11.514 663 HZ3 LYS 78 HZ3 LYS 78 -9.283 1.164 12.777 664 H VAL 79 HN VAL 79 -11.090 4.306 7.678 665 HA VAL 79 HA VAL 79 -13.919 5.088 7.820 666 HB VAL 79 HB VAL 79 -14.081 5.095 5.318 667 HG11 VAL 79 HG11 VAL 79 -14.151 7.213 6.617 668 HG12 VAL 79 HG12 VAL 79 -12.424 7.426 6.333 669 HG13 VAL 79 HG13 VAL 79 -13.548 7.415 4.980 670 HG21 VAL 79 HG21 VAL 79 -11.040 5.357 5.286 671 HG22 VAL 79 HG22 VAL 79 -11.986 4.040 4.592 672 HG23 VAL 79 HG23 VAL 79 -12.106 5.651 3.920 673 H LYS 80 HN LYS 80 -15.309 3.453 7.425 674 HA LYS 80 HA LYS 80 -14.302 0.759 7.430 675 HB2 LYS 80 HB2 LYS 80 -17.074 2.009 7.502 676 HB3 LYS 80 HB3 LYS 80 -16.858 0.288 7.332 677 HG2 LYS 80 HG2 LYS 80 -15.544 0.145 9.399 678 HG3 LYS 80 HG3 LYS 80 -15.696 1.866 9.657 679 HD2 LYS 80 HD2 LYS 80 -18.036 1.736 10.086 680 HD3 LYS 80 HD3 LYS 80 -18.201 0.176 9.346 681 HE2 LYS 80 HE2 LYS 80 -18.362 -0.107 11.750 682 HE3 LYS 80 HE3 LYS 80 -16.864 -0.851 11.238 683 HZ1 LYS 80 HZ1 LYS 80 -16.601 0.486 13.189 684 HZ2 LYS 80 HZ2 LYS 80 -17.115 1.837 12.399 685 HZ3 LYS 80 HZ3 LYS 80 -15.694 1.118 11.974 686 H THR 81 HN THR 81 -14.451 -0.834 5.907 687 HA THR 81 HA THR 81 -15.632 -0.619 3.324 688 HB THR 81 HB THR 81 -13.826 1.051 2.927 689 HG1 THR 81 HG1 THR 81 -12.804 0.041 1.224 690 HG21 THR 81 HG21 THR 81 -12.124 0.284 4.633 691 HG22 THR 81 HG22 THR 81 -11.444 0.505 3.033 692 HG23 THR 81 HG23 THR 81 -11.773 -1.118 3.627 693 H VAL 82 HN VAL 82 -14.853 -2.442 1.888 694 HA VAL 82 HA VAL 82 -13.878 -4.821 3.430 695 HB VAL 82 HB VAL 82 -15.673 -4.650 0.955 696 HG11 VAL 82 HG11 VAL 82 -14.593 -7.121 2.384 697 HG12 VAL 82 HG12 VAL 82 -15.958 -7.159 1.279 698 HG13 VAL 82 HG13 VAL 82 -14.383 -6.687 0.689 699 HG21 VAL 82 HG21 VAL 82 -16.946 -4.075 3.000 700 HG22 VAL 82 HG22 VAL 82 -17.458 -5.621 2.354 701 HG23 VAL 82 HG23 VAL 82 -16.411 -5.568 3.763 702 H VAL 83 HN VAL 83 -12.176 -5.963 2.521 703 HA VAL 83 HA VAL 83 -10.995 -4.992 -0.051 704 HB VAL 83 HB VAL 83 -9.593 -6.602 2.139 705 HG11 VAL 83 HG11 VAL 83 -7.489 -5.831 0.936 706 HG12 VAL 83 HG12 VAL 83 -8.476 -6.921 -0.004 707 HG13 VAL 83 HG13 VAL 83 -8.496 -5.198 -0.340 708 HG21 VAL 83 HG21 VAL 83 -9.973 -4.533 3.253 709 HG22 VAL 83 HG22 VAL 83 -8.325 -4.440 2.665 710 HG23 VAL 83 HG23 VAL 83 -9.595 -3.579 1.836 711 H GLN 84 HN GLN 84 -10.496 -6.567 -1.607 712 HA GLN 84 HA GLN 84 -11.431 -9.360 -1.112 713 HB2 GLN 84 HB2 GLN 84 -11.894 -7.602 -3.585 714 HB3 GLN 84 HB3 GLN 84 -12.289 -9.290 -3.495 715 HG2 GLN 84 HG2 GLN 84 -13.597 -7.091 -1.808 716 HG3 GLN 84 HG3 GLN 84 -14.268 -7.806 -3.248 717 HE21 GLN 84 HE21 GLN 84 -15.950 -7.887 -1.266 718 HE22 GLN 84 HE22 GLN 84 -16.052 -9.465 -0.531 719 H LEU 85 HN LEU 85 -10.234 -10.960 -2.041 720 HA LEU 85 HA LEU 85 -7.693 -10.176 -3.379 721 HB2 LEU 85 HB2 LEU 85 -7.408 -11.168 -1.121 722 HB3 LEU 85 HB3 LEU 85 -8.376 -12.532 -1.576 723 HG LEU 85 HG LEU 85 -6.656 -13.194 -3.274 724 HD11 LEU 85 HD11 LEU 85 -4.372 -11.708 -2.253 725 HD12 LEU 85 HD12 LEU 85 -5.549 -10.581 -2.874 726 HD13 LEU 85 HD13 LEU 85 -4.950 -11.867 -3.904 727 HD21 LEU 85 HD21 LEU 85 -4.845 -13.750 -1.402 728 HD22 LEU 85 HD22 LEU 85 -6.437 -14.485 -1.394 729 HD23 LEU 85 HD23 LEU 85 -6.094 -13.131 -0.328 730 H GLU 86 HN GLU 86 -7.380 -10.859 -5.372 731 HA GLU 86 HA GLU 86 -9.295 -12.629 -6.747 732 HB2 GLU 86 HB2 GLU 86 -6.887 -11.072 -7.805 733 HB3 GLU 86 HB3 GLU 86 -8.135 -11.794 -8.764 734 HG2 GLU 86 HG2 GLU 86 -8.519 -9.389 -6.905 735 HG3 GLU 86 HG3 GLU 86 -8.387 -9.341 -8.637 736 H GLY 87 HN GLY 87 -8.321 -14.168 -8.352 737 HA2 GLY 87 HA2 GLY 87 -6.583 -16.089 -7.031 738 HA3 GLY 87 HA1 GLY 87 -7.406 -16.247 -8.567 739 H ASP 88 HN ASP 88 -5.450 -13.345 -8.324 740 HA ASP 88 HA ASP 88 -3.127 -14.594 -9.683 741 HB2 ASP 88 HB2 ASP 88 -4.994 -13.693 -11.280 742 HB3 ASP 88 HB3 ASP 88 -4.470 -12.093 -10.802 743 H ASN 89 HN ASN 89 -3.314 -13.870 -6.997 744 HA ASN 89 HA ASN 89 -2.085 -12.866 -5.377 745 HB2 ASN 89 HB2 ASN 89 -0.258 -11.685 -7.483 746 HB3 ASN 89 HB3 ASN 89 0.167 -12.180 -5.861 747 HD21 ASN 89 HD21 ASN 89 1.610 -12.720 -8.235 748 HD22 ASN 89 HD22 ASN 89 1.631 -14.450 -8.475 749 H LYS 90 HN LYS 90 -4.251 -11.202 -6.752 750 HA LYS 90 HA LYS 90 -3.181 -8.465 -6.274 751 HB2 LYS 90 HB2 LYS 90 -5.312 -9.563 -8.141 752 HB3 LYS 90 HB3 LYS 90 -5.115 -7.857 -7.861 753 HG2 LYS 90 HG2 LYS 90 -3.052 -7.726 -8.943 754 HG3 LYS 90 HG3 LYS 90 -2.657 -9.384 -8.688 755 HD2 LYS 90 HD2 LYS 90 -3.093 -9.473 -10.935 756 HD3 LYS 90 HD3 LYS 90 -4.674 -9.879 -10.346 757 HE2 LYS 90 HE2 LYS 90 -3.829 -7.069 -11.212 758 HE3 LYS 90 HE3 LYS 90 -4.719 -8.205 -12.203 759 HZ1 LYS 90 HZ1 LYS 90 -6.479 -8.181 -10.601 760 HZ2 LYS 90 HZ2 LYS 90 -6.169 -6.661 -11.162 761 HZ3 LYS 90 HZ3 LYS 90 -5.655 -7.107 -9.658 762 H LEU 91 HN LEU 91 -4.059 -7.218 -4.730 763 HA LEU 91 HA LEU 91 -6.671 -7.949 -3.490 764 HB2 LEU 91 HB2 LEU 91 -4.477 -6.032 -2.620 765 HB3 LEU 91 HB3 LEU 91 -5.993 -6.148 -1.809 766 HG LEU 91 HG LEU 91 -4.184 -8.557 -2.075 767 HD11 LEU 91 HD11 LEU 91 -4.174 -6.511 0.186 768 HD12 LEU 91 HD12 LEU 91 -2.880 -6.775 -0.976 769 HD13 LEU 91 HD13 LEU 91 -3.293 -8.038 0.176 770 HD21 LEU 91 HD21 LEU 91 -5.895 -8.312 0.334 771 HD22 LEU 91 HD22 LEU 91 -5.661 -9.669 -0.744 772 HD23 LEU 91 HD23 LEU 91 -6.824 -8.414 -1.152 773 H VAL 92 HN VAL 92 -8.305 -6.339 -3.378 774 HA VAL 92 HA VAL 92 -7.872 -3.721 -4.653 775 HB VAL 92 HB VAL 92 -10.216 -5.559 -5.362 776 HG11 VAL 92 HG11 VAL 92 -11.097 -3.275 -5.270 777 HG12 VAL 92 HG12 VAL 92 -9.724 -2.659 -6.189 778 HG13 VAL 92 HG13 VAL 92 -10.910 -3.715 -6.950 779 HG21 VAL 92 HG21 VAL 92 -7.952 -4.573 -7.147 780 HG22 VAL 92 HG22 VAL 92 -8.290 -6.242 -6.692 781 HG23 VAL 92 HG23 VAL 92 -9.405 -5.381 -7.726 782 H THR 93 HN THR 93 -8.955 -2.106 -3.589 783 HA THR 93 HA THR 93 -11.346 -2.532 -2.081 784 HB THR 93 HB THR 93 -9.690 -3.281 -0.398 785 HG1 THR 93 HG1 THR 93 -11.511 -2.344 0.409 786 HG21 THR 93 HG21 THR 93 -8.060 -1.936 0.663 787 HG22 THR 93 HG22 THR 93 -8.610 -0.469 -0.113 788 HG23 THR 93 HG23 THR 93 -7.755 -1.707 -1.050 789 H THR 94 HN THR 94 -11.520 -0.189 -0.682 790 HA THR 94 HA THR 94 -10.812 2.098 -2.352 791 HB THR 94 HB THR 94 -13.342 2.841 -2.191 792 HG1 THR 94 HG1 THR 94 -14.015 1.091 -0.926 793 HG21 THR 94 HG21 THR 94 -12.393 2.436 -4.409 794 HG22 THR 94 HG22 THR 94 -14.010 1.776 -4.322 795 HG23 THR 94 HG23 THR 94 -12.629 0.693 -4.241 796 H PHE 95 HN PHE 95 -10.762 3.997 -1.072 797 HA PHE 95 HA PHE 95 -12.178 4.199 1.432 798 HB2 PHE 95 HB2 PHE 95 -10.207 4.436 2.887 799 HB3 PHE 95 HB3 PHE 95 -10.346 2.825 2.281 800 HD1 PHE 95 HD1 PHE 95 -8.620 1.936 0.672 801 HD2 PHE 95 HD2 PHE 95 -8.393 5.964 2.187 802 HE1 PHE 95 HE1 PHE 95 -6.274 2.106 -0.059 803 HE2 PHE 95 HE2 PHE 95 -6.051 6.098 1.441 804 HZ PHE 95 HZ PHE 95 -4.997 4.175 0.315 805 H LYS 96 HN LYS 96 -12.785 6.285 1.631 806 HA LYS 96 HA LYS 96 -13.073 8.445 1.206 807 HB2 LYS 96 HB2 LYS 96 -10.024 8.713 1.226 808 HB3 LYS 96 HB3 LYS 96 -11.210 9.956 1.544 809 HG2 LYS 96 HG2 LYS 96 -11.971 8.382 3.520 810 HG3 LYS 96 HG3 LYS 96 -10.433 7.610 3.288 811 HD2 LYS 96 HD2 LYS 96 -11.010 10.436 4.232 812 HD3 LYS 96 HD3 LYS 96 -10.139 9.178 5.038 813 HE2 LYS 96 HE2 LYS 96 -8.362 10.506 4.434 814 HE3 LYS 96 HE3 LYS 96 -8.371 9.454 3.034 815 HZ1 LYS 96 HZ1 LYS 96 -9.666 11.162 1.905 816 HZ2 LYS 96 HZ2 LYS 96 -8.230 11.759 2.457 817 HZ3 LYS 96 HZ3 LYS 96 -9.625 12.106 3.260 818 H ASN 97 HN ASN 97 -13.295 6.976 -1.129 819 HA ASN 97 HA ASN 97 -13.527 7.120 -3.338 820 HB2 ASN 97 HB2 ASN 97 -13.927 9.642 -2.845 821 HB3 ASN 97 HB3 ASN 97 -12.285 9.927 -3.351 822 HD21 ASN 97 HD21 ASN 97 -12.697 11.124 -5.213 823 HD22 ASN 97 HD22 ASN 97 -13.614 10.528 -6.570 824 H ILE 98 HN ILE 98 -10.555 6.906 -1.869 825 HA ILE 98 HA ILE 98 -8.909 6.867 -4.283 826 HB ILE 98 HB ILE 98 -8.227 5.893 -1.470 827 HG12 ILE 98 HG12 ILE 98 -7.310 8.547 -2.596 828 HG13 ILE 98 HG13 ILE 98 -8.823 8.454 -1.760 829 HG21 ILE 98 HG21 ILE 98 -5.885 6.077 -2.164 830 HG22 ILE 98 HG22 ILE 98 -6.726 4.904 -3.134 831 HG23 ILE 98 HG23 ILE 98 -6.394 6.495 -3.801 832 HD11 ILE 98 HD11 ILE 98 -6.174 7.640 -0.497 833 HD12 ILE 98 HD12 ILE 98 -7.009 9.167 -0.262 834 HD13 ILE 98 HD13 ILE 98 -7.753 7.679 0.296 835 H LYS 99 HN LYS 99 -9.674 5.315 -5.648 836 HA LYS 99 HA LYS 99 -10.304 2.585 -4.992 837 HB2 LYS 99 HB2 LYS 99 -11.155 3.754 -7.015 838 HB3 LYS 99 HB3 LYS 99 -9.535 4.028 -7.569 839 HG2 LYS 99 HG2 LYS 99 -10.373 2.287 -8.884 840 HG3 LYS 99 HG3 LYS 99 -9.201 1.542 -7.845 841 HD2 LYS 99 HD2 LYS 99 -11.024 0.702 -6.353 842 HD3 LYS 99 HD3 LYS 99 -12.224 1.498 -7.337 843 HE2 LYS 99 HE2 LYS 99 -10.371 -0.766 -8.260 844 HE3 LYS 99 HE3 LYS 99 -12.065 -0.938 -7.847 845 HZ1 LYS 99 HZ1 LYS 99 -11.017 0.691 -10.052 846 HZ2 LYS 99 HZ2 LYS 99 -12.610 0.526 -9.658 847 HZ3 LYS 99 HZ3 LYS 99 -11.753 -0.779 -10.189 848 H SER 100 HN SER 100 -8.864 1.158 -4.230 849 HA SER 100 HA SER 100 -5.961 1.623 -4.739 850 HB2 SER 100 HB2 SER 100 -5.735 0.807 -2.355 851 HB3 SER 100 HB3 SER 100 -6.475 2.384 -2.560 852 HG SER 100 HG SER 100 -8.448 1.518 -2.162 853 H VAL 101 HN VAL 101 -4.859 0.083 -5.594 854 HA VAL 101 HA VAL 101 -5.849 -2.725 -5.653 855 HB VAL 101 HB VAL 101 -4.727 -1.031 -7.948 856 HG11 VAL 101 HG11 VAL 101 -3.892 -3.315 -8.262 857 HG12 VAL 101 HG12 VAL 101 -5.497 -3.982 -7.972 858 HG13 VAL 101 HG13 VAL 101 -5.175 -3.022 -9.413 859 HG21 VAL 101 HG21 VAL 101 -6.933 -1.420 -9.065 860 HG22 VAL 101 HG22 VAL 101 -7.537 -2.149 -7.580 861 HG23 VAL 101 HG23 VAL 101 -7.075 -0.450 -7.614 862 H THR 102 HN THR 102 -4.251 -4.194 -5.256 863 HA THR 102 HA THR 102 -1.387 -3.342 -5.280 864 HB THR 102 HB THR 102 -2.633 -5.265 -3.263 865 HG1 THR 102 HG1 THR 102 -2.338 -3.528 -1.767 866 HG21 THR 102 HG21 THR 102 0.082 -3.883 -3.219 867 HG22 THR 102 HG22 THR 102 -0.201 -5.609 -3.422 868 HG23 THR 102 HG23 THR 102 -0.588 -4.838 -1.904 869 H GLU 103 HN GLU 103 0.105 -5.084 -5.747 870 HA GLU 103 HA GLU 103 -0.977 -7.719 -6.422 871 HB2 GLU 103 HB2 GLU 103 -1.210 -6.524 -8.547 872 HB3 GLU 103 HB3 GLU 103 0.418 -5.949 -8.467 873 HG2 GLU 103 HG2 GLU 103 1.294 -8.299 -8.668 874 HG3 GLU 103 HG3 GLU 103 -0.342 -8.908 -8.725 875 H LEU 104 HN LEU 104 0.275 -9.169 -5.491 876 HA LEU 104 HA LEU 104 3.153 -8.714 -5.026 877 HB2 LEU 104 HB2 LEU 104 1.936 -9.869 -3.243 878 HB3 LEU 104 HB3 LEU 104 1.195 -10.940 -4.378 879 HG LEU 104 HG LEU 104 3.513 -11.931 -4.879 880 HD11 LEU 104 HD11 LEU 104 4.294 -10.204 -2.498 881 HD12 LEU 104 HD12 LEU 104 5.073 -10.293 -4.080 882 HD13 LEU 104 HD13 LEU 104 5.189 -11.635 -2.959 883 HD21 LEU 104 HD21 LEU 104 2.664 -13.538 -3.662 884 HD22 LEU 104 HD22 LEU 104 1.730 -12.439 -2.662 885 HD23 LEU 104 HD23 LEU 104 3.378 -12.837 -2.220 886 H ASN 105 HN ASN 105 4.755 -9.639 -6.250 887 HA ASN 105 HA ASN 105 4.104 -11.555 -8.413 888 HB2 ASN 105 HB2 ASN 105 3.907 -8.937 -9.114 889 HB3 ASN 105 HB3 ASN 105 5.631 -9.020 -9.192 890 HD21 ASN 105 HD21 ASN 105 2.517 -10.178 -10.469 891 HD22 ASN 105 HD22 ASN 105 3.136 -10.906 -11.923 892 H GLY 106 HN GLY 106 5.102 -12.878 -6.849 893 HA2 GLY 106 HA2 GLY 106 6.887 -14.218 -6.342 894 HA3 GLY 106 HA1 GLY 106 7.945 -13.244 -7.349 895 H ASP 107 HN ASP 107 9.003 -11.450 -6.449 896 HA ASP 107 HA ASP 107 8.934 -11.053 -3.499 897 HB2 ASP 107 HB2 ASP 107 11.321 -10.903 -5.393 898 HB3 ASP 107 HB3 ASP 107 11.407 -10.459 -3.742 899 H ILE 108 HN ILE 108 7.892 -9.572 -6.268 900 HA ILE 108 HA ILE 108 8.668 -6.817 -5.416 901 HB ILE 108 HB ILE 108 7.022 -7.541 -7.869 902 HG12 ILE 108 HG12 ILE 108 8.926 -8.963 -8.231 903 HG13 ILE 108 HG13 ILE 108 8.942 -7.632 -9.326 904 HG21 ILE 108 HG21 ILE 108 8.876 -5.184 -7.308 905 HG22 ILE 108 HG22 ILE 108 7.980 -5.451 -8.799 906 HG23 ILE 108 HG23 ILE 108 7.117 -5.145 -7.308 907 HD11 ILE 108 HD11 ILE 108 11.204 -8.209 -8.405 908 HD12 ILE 108 HD12 ILE 108 10.765 -6.540 -8.076 909 HD13 ILE 108 HD13 ILE 108 10.661 -7.761 -6.797 910 H ILE 109 HN ILE 109 7.029 -5.342 -4.804 911 HA ILE 109 HA ILE 109 4.186 -6.270 -4.815 912 HB ILE 109 HB ILE 109 5.620 -4.603 -2.728 913 HG12 ILE 109 HG12 ILE 109 5.795 -7.017 -2.414 914 HG13 ILE 109 HG13 ILE 109 5.053 -6.165 -1.096 915 HG21 ILE 109 HG21 ILE 109 3.532 -3.393 -3.023 916 HG22 ILE 109 HG22 ILE 109 2.600 -4.882 -3.058 917 HG23 ILE 109 HG23 ILE 109 3.377 -4.347 -1.570 918 HD11 ILE 109 HD11 ILE 109 3.787 -8.168 -1.351 919 HD12 ILE 109 HD12 ILE 109 2.751 -6.961 -2.088 920 HD13 ILE 109 HD13 ILE 109 3.733 -8.016 -3.098 921 H THR 110 HN THR 110 3.189 -5.161 -6.363 922 HA THR 110 HA THR 110 3.913 -2.335 -6.982 923 HB THR 110 HB THR 110 1.982 -4.321 -8.296 924 HG1 THR 110 HG1 THR 110 4.126 -4.730 -8.712 925 HG21 THR 110 HG21 THR 110 2.631 -1.446 -9.145 926 HG22 THR 110 HG22 THR 110 1.038 -2.067 -8.711 927 HG23 THR 110 HG23 THR 110 1.823 -2.629 -10.170 928 H ASN 111 HN ASN 111 2.455 -0.693 -6.522 929 HA ASN 111 HA ASN 111 -0.253 -1.370 -5.616 930 HB2 ASN 111 HB2 ASN 111 1.798 0.056 -3.982 931 HB3 ASN 111 HB3 ASN 111 0.416 1.072 -4.252 932 HD21 ASN 111 HD21 ASN 111 -1.830 -0.009 -3.907 933 HD22 ASN 111 HD22 ASN 111 -1.941 -1.039 -2.507 934 H THR 112 HN THR 112 -1.803 0.092 -6.324 935 HA THR 112 HA THR 112 -0.994 2.563 -7.679 936 HB THR 112 HB THR 112 -2.870 0.491 -8.942 937 HG1 THR 112 HG1 THR 112 -0.654 0.125 -9.251 938 HG21 THR 112 HG21 THR 112 -2.131 3.283 -9.991 939 HG22 THR 112 HG22 THR 112 -3.732 2.813 -9.424 940 HG23 THR 112 HG23 THR 112 -3.061 2.073 -10.864 941 H MET 113 HN MET 113 -2.205 4.176 -6.896 942 HA MET 113 HA MET 113 -4.835 3.592 -5.609 943 HB2 MET 113 HB2 MET 113 -2.956 5.788 -4.690 944 HB3 MET 113 HB3 MET 113 -4.377 5.203 -3.925 945 HG2 MET 113 HG2 MET 113 -1.727 3.703 -4.111 946 HG3 MET 113 HG3 MET 113 -2.389 4.514 -2.720 947 HE1 MET 113 HE1 MET 113 -1.579 2.068 -1.631 948 HE2 MET 113 HE2 MET 113 -2.874 2.964 -0.815 949 HE3 MET 113 HE3 MET 113 -3.022 1.218 -1.055 950 H THR 114 HN THR 114 -6.372 4.437 -6.908 951 HA THR 114 HA THR 114 -5.754 6.838 -8.569 952 HB THR 114 HB THR 114 -7.751 4.570 -8.971 953 HG1 THR 114 HG1 THR 114 -6.379 4.289 -10.831 954 HG21 THR 114 HG21 THR 114 -8.744 6.624 -9.968 955 HG22 THR 114 HG22 THR 114 -8.128 5.596 -11.246 956 HG23 THR 114 HG23 THR 114 -7.217 7.016 -10.742 957 H LEU 115 HN LEU 115 -6.433 8.600 -7.539 958 HA LEU 115 HA LEU 115 -9.057 8.642 -6.110 959 HB2 LEU 115 HB2 LEU 115 -7.089 8.997 -4.688 960 HB3 LEU 115 HB3 LEU 115 -6.467 10.220 -5.739 961 HG LEU 115 HG LEU 115 -8.306 11.745 -5.192 962 HD11 LEU 115 HD11 LEU 115 -10.301 10.846 -4.617 963 HD12 LEU 115 HD12 LEU 115 -9.683 10.776 -2.977 964 HD13 LEU 115 HD13 LEU 115 -9.589 9.362 -4.002 965 HD21 LEU 115 HD21 LEU 115 -7.559 11.142 -2.412 966 HD22 LEU 115 HD22 LEU 115 -7.172 12.523 -3.424 967 HD23 LEU 115 HD23 LEU 115 -6.189 11.074 -3.499 968 H GLY 116 HN GLY 116 -10.256 8.978 -8.005 969 HA2 GLY 116 HA2 GLY 116 -11.347 10.197 -9.582 970 HA3 GLY 116 HA1 GLY 116 -10.762 11.643 -8.777 971 H ASP 117 HN ASP 117 -9.417 12.918 -9.935 972 HA ASP 117 HA ASP 117 -8.384 12.144 -12.509 973 HB2 ASP 117 HB2 ASP 117 -7.611 14.593 -12.563 974 HB3 ASP 117 HB3 ASP 117 -9.307 14.262 -12.616 975 H ILE 118 HN ILE 118 -7.054 11.491 -9.552 976 HA ILE 118 HA ILE 118 -4.233 11.938 -10.470 977 HB ILE 118 HB ILE 118 -5.233 11.173 -7.687 978 HG12 ILE 118 HG12 ILE 118 -6.156 13.357 -8.051 979 HG13 ILE 118 HG13 ILE 118 -4.863 13.435 -6.909 980 HG21 ILE 118 HG21 ILE 118 -2.485 12.108 -8.634 981 HG22 ILE 118 HG22 ILE 118 -2.970 11.966 -6.957 982 HG23 ILE 118 HG23 ILE 118 -2.896 10.538 -7.953 983 HD11 ILE 118 HD11 ILE 118 -3.627 14.016 -9.445 984 HD12 ILE 118 HD12 ILE 118 -5.159 14.876 -9.427 985 HD13 ILE 118 HD13 ILE 118 -3.984 15.143 -8.144 986 H VAL 119 HN VAL 119 -2.878 10.165 -10.691 987 HA VAL 119 HA VAL 119 -3.891 7.443 -10.006 988 HB VAL 119 HB VAL 119 -2.480 8.199 -12.612 989 HG11 VAL 119 HG11 VAL 119 -2.938 5.820 -13.276 990 HG12 VAL 119 HG12 VAL 119 -1.835 5.896 -11.922 991 HG13 VAL 119 HG13 VAL 119 -3.524 5.488 -11.650 992 HG21 VAL 119 HG21 VAL 119 -4.811 8.944 -12.769 993 HG22 VAL 119 HG22 VAL 119 -4.578 7.521 -13.764 994 HG23 VAL 119 HG23 VAL 119 -5.382 7.375 -12.206 995 H PHE 120 HN PHE 120 -2.634 7.648 -8.112 996 HA PHE 120 HA PHE 120 0.248 7.974 -8.174 997 HB2 PHE 120 HB2 PHE 120 -1.214 8.564 -6.248 998 HB3 PHE 120 HB3 PHE 120 -1.686 6.912 -6.077 999 HD1 PHE 120 HD1 PHE 120 -0.928 6.132 -4.009 1000 HD2 PHE 120 HD2 PHE 120 1.700 8.560 -6.412 1001 HE1 PHE 120 HE1 PHE 120 0.815 5.962 -2.298 1002 HE2 PHE 120 HE2 PHE 120 3.437 8.323 -4.707 1003 HZ PHE 120 HZ PHE 120 2.978 7.094 -2.621 1004 H LYS 121 HN LYS 121 1.808 6.309 -8.106 1005 HA LYS 121 HA LYS 121 0.949 3.508 -8.023 1006 HB2 LYS 121 HB2 LYS 121 0.760 4.250 -10.405 1007 HB3 LYS 121 HB3 LYS 121 2.440 4.669 -10.441 1008 HG2 LYS 121 HG2 LYS 121 1.547 1.851 -9.677 1009 HG3 LYS 121 HG3 LYS 121 1.455 2.325 -11.334 1010 HD2 LYS 121 HD2 LYS 121 4.054 2.452 -9.736 1011 HD3 LYS 121 HD3 LYS 121 3.545 1.049 -10.626 1012 HE2 LYS 121 HE2 LYS 121 3.515 2.414 -12.749 1013 HE3 LYS 121 HE3 LYS 121 4.056 3.821 -11.850 1014 HZ1 LYS 121 HZ1 LYS 121 6.032 2.652 -11.273 1015 HZ2 LYS 121 HZ2 LYS 121 5.847 2.697 -12.905 1016 HZ3 LYS 121 HZ3 LYS 121 5.535 1.300 -12.082 1017 H ARG 122 HN ARG 122 2.449 2.192 -7.113 1018 HA ARG 122 HA ARG 122 5.125 3.307 -6.451 1019 HB2 ARG 122 HB2 ARG 122 3.247 1.848 -4.499 1020 HB3 ARG 122 HB3 ARG 122 4.908 2.275 -4.222 1021 HG2 ARG 122 HG2 ARG 122 3.873 4.752 -4.949 1022 HG3 ARG 122 HG3 ARG 122 2.497 4.009 -4.236 1023 HD2 ARG 122 HD2 ARG 122 5.110 3.861 -2.703 1024 HD3 ARG 122 HD3 ARG 122 4.374 5.420 -2.820 1025 HE ARG 122 HE ARG 122 2.673 3.130 -1.970 1026 HH11 ARG 122 HH11 ARG 122 4.885 5.675 -0.816 1027 HH12 ARG 122 HH12 ARG 122 4.272 5.643 0.814 1028 HH21 ARG 122 HH21 ARG 122 1.868 3.134 0.176 1029 HH22 ARG 122 HH22 ARG 122 2.576 4.171 1.382 1030 H ILE 123 HN ILE 123 6.745 1.844 -6.057 1031 HA ILE 123 HA ILE 123 6.290 -1.033 -6.673 1032 HB ILE 123 HB ILE 123 8.813 0.565 -7.379 1033 HG12 ILE 123 HG12 ILE 123 8.056 -0.193 -9.819 1034 HG13 ILE 123 HG13 ILE 123 6.461 -0.171 -9.136 1035 HG21 ILE 123 HG21 ILE 123 9.504 -1.499 -8.589 1036 HG22 ILE 123 HG22 ILE 123 9.323 -1.801 -6.884 1037 HG23 ILE 123 HG23 ILE 123 8.067 -2.328 -8.001 1038 HD11 ILE 123 HD11 ILE 123 8.045 2.316 -8.541 1039 HD12 ILE 123 HD12 ILE 123 7.819 2.012 -10.252 1040 HD13 ILE 123 HD13 ILE 123 6.423 2.160 -9.189 1041 H SER 124 HN SER 124 7.141 -2.338 -5.154 1042 HA SER 124 HA SER 124 9.230 -1.422 -3.293 1043 HB2 SER 124 HB2 SER 124 6.513 -2.642 -2.558 1044 HB3 SER 124 HB3 SER 124 7.893 -2.724 -1.476 1045 HG SER 124 HG SER 124 6.542 -0.952 -1.074 1046 H LYS 125 HN LYS 125 10.499 -3.251 -2.430 1047 HA LYS 125 HA LYS 125 10.282 -5.806 -3.951 1048 HB2 LYS 125 HB2 LYS 125 11.751 -3.819 -4.982 1049 HB3 LYS 125 HB3 LYS 125 12.919 -4.285 -3.791 1050 HG2 LYS 125 HG2 LYS 125 11.742 -5.892 -6.090 1051 HG3 LYS 125 HG3 LYS 125 13.347 -5.246 -5.993 1052 HD2 LYS 125 HD2 LYS 125 13.730 -6.847 -3.980 1053 HD3 LYS 125 HD3 LYS 125 12.225 -7.608 -4.449 1054 HE2 LYS 125 HE2 LYS 125 13.138 -8.068 -6.738 1055 HE3 LYS 125 HE3 LYS 125 14.666 -7.349 -6.265 1056 HZ1 LYS 125 HZ1 LYS 125 14.700 -9.706 -6.051 1057 HZ2 LYS 125 HZ2 LYS 125 13.420 -9.692 -5.014 1058 HZ3 LYS 125 HZ3 LYS 125 14.853 -9.018 -4.558 1059 H ARG 126 HN ARG 126 10.898 -7.558 -2.771 1060 HA ARG 126 HA ARG 126 10.993 -7.345 -0.028 1061 HB2 ARG 126 HB2 ARG 126 10.080 -9.225 -1.269 1062 HB3 ARG 126 HB3 ARG 126 11.662 -9.768 -1.732 1063 HG2 ARG 126 HG2 ARG 126 12.153 -10.619 0.472 1064 HG3 ARG 126 HG3 ARG 126 11.166 -9.404 1.172 1065 HD2 ARG 126 HD2 ARG 126 10.211 -11.647 1.466 1066 HD3 ARG 126 HD3 ARG 126 9.101 -10.428 0.891 1067 HE ARG 126 HE ARG 126 10.418 -12.030 -1.209 1068 HH11 ARG 126 HH11 ARG 126 7.745 -12.218 1.174 1069 HH12 ARG 126 HH12 ARG 126 6.965 -13.520 0.326 1070 HH21 ARG 126 HH21 ARG 126 9.362 -13.650 -2.272 1071 HH22 ARG 126 HH22 ARG 126 7.853 -14.313 -1.683 1072 H ILE 127 HN ILE 127 12.442 -7.270 1.522 1073 HA ILE 127 HA ILE 127 15.376 -7.469 0.949 1074 HB ILE 127 HB ILE 127 15.621 -5.674 2.689 1075 HG12 ILE 127 HG12 ILE 127 12.677 -5.001 2.269 1076 HG13 ILE 127 HG13 ILE 127 13.224 -5.919 3.628 1077 HG21 ILE 127 HG21 ILE 127 15.330 -3.811 1.162 1078 HG22 ILE 127 HG22 ILE 127 15.819 -5.213 0.240 1079 HG23 ILE 127 HG23 ILE 127 14.139 -4.698 0.214 1080 HD11 ILE 127 HD11 ILE 127 13.049 -3.156 3.585 1081 HD12 ILE 127 HD12 ILE 127 13.942 -4.098 4.767 1082 HD13 ILE 127 HD13 ILE 127 14.779 -3.410 3.384 Start of MODEL 6 1 H1 HIS -7 HN HIS -7 -0.925 -33.448 3.069 2 HA HIS -7 HA HIS -7 -3.123 -32.464 2.640 3 HB2 HIS -7 HB2 HIS -7 -4.146 -31.075 4.399 4 HB3 HIS -7 HB3 HIS -7 -4.237 -32.790 4.657 5 HD1 HIS -7 HD1 HIS -7 -2.695 -33.835 6.595 6 HD2 HIS -7 HD2 HIS -7 -2.834 -29.616 6.516 7 HE1 HIS -7 HE1 HIS -7 -1.727 -32.966 8.758 8 H HIS -6 HN HIS -6 -0.376 -31.462 4.877 9 HA HIS -6 HA HIS -6 -0.418 -28.733 4.001 10 HB2 HIS -6 HB2 HIS -6 0.046 -29.683 6.355 11 HB3 HIS -6 HB3 HIS -6 1.662 -30.023 5.806 12 HD1 HIS -6 HD1 HIS -6 3.068 -27.776 4.961 13 HD2 HIS -6 HD2 HIS -6 -0.442 -27.044 7.187 14 HE1 HIS -6 HE1 HIS -6 3.134 -25.390 5.794 15 H HIS -5 HN HIS -5 1.706 -31.527 3.275 16 HA HIS -5 HA HIS -5 3.717 -29.966 1.905 17 HB2 HIS -5 HB2 HIS -5 3.123 -32.921 2.232 18 HB3 HIS -5 HB3 HIS -5 4.248 -32.408 1.008 19 HD1 HIS -5 HD1 HIS -5 3.841 -31.619 4.778 20 HD2 HIS -5 HD2 HIS -5 6.847 -32.354 1.910 21 HE1 HIS -5 HE1 HIS -5 6.083 -31.577 5.942 22 H HIS -4 HN HIS -4 0.548 -30.889 0.950 23 HA HIS -4 HA HIS -4 0.989 -30.843 -1.920 24 HB2 HIS -4 HB2 HIS -4 -1.562 -30.480 -0.278 25 HB3 HIS -4 HB3 HIS -4 -1.497 -30.699 -2.003 26 HD1 HIS -4 HD1 HIS -4 -1.799 -33.059 -2.800 27 HD2 HIS -4 HD2 HIS -4 -0.434 -32.954 1.187 28 HE1 HIS -4 HE1 HIS -4 -1.768 -35.425 -1.904 29 H HIS -3 HN HIS -3 0.462 -28.454 0.632 30 HA HIS -3 HA HIS -3 0.007 -26.199 -1.193 31 HB2 HIS -3 HB2 HIS -3 0.110 -26.587 1.810 32 HB3 HIS -3 HB3 HIS -3 0.450 -25.012 1.169 33 HD1 HIS -3 HD1 HIS -3 -2.281 -27.368 -0.137 34 HD2 HIS -3 HD2 HIS -3 -1.863 -23.629 1.770 35 HE1 HIS -3 HE1 HIS -3 -4.558 -26.272 -0.021 36 H HIS -2 HN HIS -2 1.827 -26.623 -2.530 37 HA HIS -2 HA HIS -2 4.380 -25.480 -1.526 38 HB2 HIS -2 HB2 HIS -2 5.196 -26.017 -3.831 39 HB3 HIS -2 HB3 HIS -2 4.709 -27.401 -2.912 40 HD1 HIS -2 HD1 HIS -2 3.205 -29.028 -4.065 41 HD2 HIS -2 HD2 HIS -2 2.977 -25.215 -5.857 42 HE1 HIS -2 HE1 HIS -2 1.726 -29.194 -6.112 43 H VAL -1 HN VAL -1 1.601 -24.149 -1.838 44 HA VAL -1 HA VAL -1 1.755 -22.165 -3.848 45 HB VAL -1 HB VAL -1 -0.030 -21.041 -2.539 46 HG11 VAL -1 HG11 VAL -1 -0.580 -22.765 -4.213 47 HG12 VAL -1 HG12 VAL -1 -0.516 -24.018 -2.975 48 HG13 VAL -1 HG13 VAL -1 -1.746 -22.761 -2.899 49 HG21 VAL -1 HG21 VAL -1 -1.121 -22.271 -0.616 50 HG22 VAL -1 HG22 VAL -1 0.333 -23.239 -0.455 51 HG23 VAL -1 HG23 VAL -1 0.376 -21.499 -0.182 52 H ALA 0 HN ALA 0 3.447 -20.888 -3.997 53 HA ALA 0 HA ALA 0 4.644 -19.584 -1.596 54 HB1 ALA 0 HB1 ALA 0 5.902 -20.355 -4.276 55 HB2 ALA 0 HB2 ALA 0 6.742 -19.654 -2.893 56 HB3 ALA 0 HB3 ALA 0 6.062 -21.268 -2.779 57 H MET 1 HN MET 1 2.289 -18.560 -3.030 58 HA MET 1 HA MET 1 3.362 -15.895 -3.842 59 HB2 MET 1 HB2 MET 1 0.921 -17.357 -4.952 60 HB3 MET 1 HB3 MET 1 1.323 -15.708 -5.305 61 HG2 MET 1 HG2 MET 1 2.977 -18.149 -6.074 62 HG3 MET 1 HG3 MET 1 2.013 -17.172 -7.144 63 HE1 MET 1 HE1 MET 1 4.046 -13.861 -7.505 64 HE2 MET 1 HE2 MET 1 2.668 -14.805 -8.071 65 HE3 MET 1 HE3 MET 1 2.674 -14.137 -6.431 66 H SER 2 HN SER 2 3.130 -16.481 -1.234 67 HA SER 2 HA SER 2 0.658 -15.200 -0.262 68 HB2 SER 2 HB2 SER 2 1.536 -15.764 1.953 69 HB3 SER 2 HB3 SER 2 1.511 -17.191 0.943 70 HG SER 2 HG SER 2 3.754 -15.585 1.611 71 H PHE 3 HN PHE 3 0.585 -13.102 0.343 72 HA PHE 3 HA PHE 3 2.483 -11.228 -0.602 73 HB2 PHE 3 HB2 PHE 3 0.100 -11.040 1.272 74 HB3 PHE 3 HB3 PHE 3 1.022 -9.639 0.833 75 HD1 PHE 3 HD1 PHE 3 -1.188 -12.275 -0.630 76 HD2 PHE 3 HD2 PHE 3 0.811 -8.491 -1.230 77 HE1 PHE 3 HE1 PHE 3 -2.552 -11.842 -2.636 78 HE2 PHE 3 HE2 PHE 3 -0.581 -8.096 -3.225 79 HZ PHE 3 HZ PHE 3 -2.283 -9.735 -3.883 80 H SER 4 HN SER 4 2.443 -12.908 2.456 81 HA SER 4 HA SER 4 3.428 -10.953 4.151 82 HB2 SER 4 HB2 SER 4 3.890 -12.853 5.671 83 HB3 SER 4 HB3 SER 4 2.321 -12.984 4.914 84 HG SER 4 HG SER 4 3.505 -14.947 4.903 85 H GLY 5 HN GLY 5 5.382 -10.168 4.744 86 HA2 GLY 5 HA2 GLY 5 7.928 -11.058 4.659 87 HA3 GLY 5 HA1 GLY 5 7.676 -10.643 2.964 88 H LYS 6 HN LYS 6 9.519 -9.110 3.746 89 HA LYS 6 HA LYS 6 8.372 -6.460 4.499 90 HB2 LYS 6 HB2 LYS 6 9.741 -7.516 6.326 91 HB3 LYS 6 HB3 LYS 6 11.116 -7.569 5.247 92 HG2 LYS 6 HG2 LYS 6 10.888 -4.996 5.039 93 HG3 LYS 6 HG3 LYS 6 9.666 -5.072 6.263 94 HD2 LYS 6 HD2 LYS 6 12.598 -5.867 6.584 95 HD3 LYS 6 HD3 LYS 6 11.860 -4.403 7.151 96 HE2 LYS 6 HE2 LYS 6 11.989 -5.702 9.099 97 HE3 LYS 6 HE3 LYS 6 10.314 -5.907 8.629 98 HZ1 LYS 6 HZ1 LYS 6 11.357 -7.961 9.224 99 HZ2 LYS 6 HZ2 LYS 6 12.533 -7.769 8.082 100 HZ3 LYS 6 HZ3 LYS 6 10.965 -8.004 7.624 101 H TYR 7 HN TYR 7 8.978 -4.772 3.217 102 HA TYR 7 HA TYR 7 10.678 -5.268 0.835 103 HB2 TYR 7 HB2 TYR 7 7.823 -4.147 0.731 104 HB3 TYR 7 HB3 TYR 7 8.836 -4.595 -0.613 105 HD1 TYR 7 HD1 TYR 7 9.145 -7.003 -1.194 106 HD2 TYR 7 HD2 TYR 7 6.482 -5.757 1.966 107 HE1 TYR 7 HE1 TYR 7 8.160 -9.269 -1.136 108 HE2 TYR 7 HE2 TYR 7 5.463 -8.017 1.993 109 HH TYR 7 HH TYR 7 5.433 -10.127 1.004 110 H GLN 8 HN GLN 8 12.028 -3.497 0.505 111 HA GLN 8 HA GLN 8 11.356 -0.887 1.722 112 HB2 GLN 8 HB2 GLN 8 13.736 -1.766 1.629 113 HB3 GLN 8 HB3 GLN 8 13.673 -1.620 -0.103 114 HG2 GLN 8 HG2 GLN 8 12.979 0.955 0.491 115 HG3 GLN 8 HG3 GLN 8 13.672 0.564 2.028 116 HE21 GLN 8 HE21 GLN 8 14.252 1.589 -1.182 117 HE22 GLN 8 HE22 GLN 8 15.998 1.485 -1.168 118 H LEU 9 HN LEU 9 10.598 0.842 0.585 119 HA LEU 9 HA LEU 9 9.345 0.695 -1.962 120 HB2 LEU 9 HB2 LEU 9 8.769 2.164 -0.067 121 HB3 LEU 9 HB3 LEU 9 10.256 3.040 -0.237 122 HG LEU 9 HG LEU 9 8.270 2.902 -2.522 123 HD11 LEU 9 HD11 LEU 9 7.175 4.948 -1.678 124 HD12 LEU 9 HD12 LEU 9 8.168 4.910 -0.225 125 HD13 LEU 9 HD13 LEU 9 6.994 3.633 -0.521 126 HD21 LEU 9 HD21 LEU 9 10.798 4.295 -2.178 127 HD22 LEU 9 HD22 LEU 9 9.536 5.492 -2.237 128 HD23 LEU 9 HD23 LEU 9 9.699 4.343 -3.549 129 H GLN 10 HN GLN 10 10.172 0.839 -3.941 130 HA GLN 10 HA GLN 10 13.050 1.401 -4.359 131 HB2 GLN 10 HB2 GLN 10 10.914 0.247 -6.229 132 HB3 GLN 10 HB3 GLN 10 12.612 0.353 -6.573 133 HG2 GLN 10 HG2 GLN 10 11.334 -1.382 -4.407 134 HG3 GLN 10 HG3 GLN 10 11.929 -1.931 -5.946 135 HE21 GLN 10 HE21 GLN 10 12.730 -1.555 -2.670 136 HE22 GLN 10 HE22 GLN 10 14.458 -1.755 -2.817 137 H SER 11 HN SER 11 9.779 2.405 -5.481 138 HA SER 11 HA SER 11 10.681 5.014 -6.390 139 HB2 SER 11 HB2 SER 11 10.235 2.668 -8.294 140 HB3 SER 11 HB3 SER 11 9.644 4.237 -8.796 141 HG SER 11 HG SER 11 12.289 3.718 -7.968 142 H GLN 12 HN GLN 12 8.913 6.299 -7.290 143 HA GLN 12 HA GLN 12 6.241 5.313 -7.137 144 HB2 GLN 12 HB2 GLN 12 5.360 6.816 -5.480 145 HB3 GLN 12 HB3 GLN 12 6.556 5.832 -4.722 146 HG2 GLN 12 HG2 GLN 12 7.348 8.635 -5.683 147 HG3 GLN 12 HG3 GLN 12 6.300 8.454 -4.312 148 HE21 GLN 12 HE21 GLN 12 7.366 8.774 -2.445 149 HE22 GLN 12 HE22 GLN 12 8.959 8.162 -2.095 150 H GLU 13 HN GLU 13 4.674 6.745 -8.066 151 HA GLU 13 HA GLU 13 5.749 9.013 -9.671 152 HB2 GLU 13 HB2 GLU 13 4.173 6.604 -10.696 153 HB3 GLU 13 HB3 GLU 13 4.352 8.084 -11.594 154 HG2 GLU 13 HG2 GLU 13 6.847 7.783 -11.622 155 HG3 GLU 13 HG3 GLU 13 6.678 6.287 -10.730 156 H ASN 14 HN ASN 14 4.317 10.604 -10.118 157 HA ASN 14 HA ASN 14 2.802 12.095 -9.684 158 HB2 ASN 14 HB2 ASN 14 0.829 9.743 -9.725 159 HB3 ASN 14 HB3 ASN 14 0.333 11.411 -9.715 160 HD21 ASN 14 HD21 ASN 14 0.210 9.110 -11.805 161 HD22 ASN 14 HD22 ASN 14 0.696 9.934 -13.267 162 H PHE 15 HN PHE 15 4.259 11.062 -7.476 163 HA PHE 15 HA PHE 15 2.775 10.677 -5.134 164 HB2 PHE 15 HB2 PHE 15 5.126 10.068 -5.380 165 HB3 PHE 15 HB3 PHE 15 5.601 11.721 -5.598 166 HD1 PHE 15 HD1 PHE 15 4.464 9.202 -3.097 167 HD2 PHE 15 HD2 PHE 15 5.715 13.296 -3.665 168 HE1 PHE 15 HE1 PHE 15 4.716 9.478 -0.675 169 HE2 PHE 15 HE2 PHE 15 5.905 13.534 -1.231 170 HZ PHE 15 HZ PHE 15 5.441 11.639 0.260 171 H GLU 16 HN GLU 16 4.116 13.747 -6.449 172 HA GLU 16 HA GLU 16 3.219 15.265 -4.221 173 HB2 GLU 16 HB2 GLU 16 3.997 16.299 -6.976 174 HB3 GLU 16 HB3 GLU 16 3.933 17.201 -5.484 175 HG2 GLU 16 HG2 GLU 16 5.732 15.560 -4.562 176 HG3 GLU 16 HG3 GLU 16 5.869 14.919 -6.173 177 H ALA 17 HN ALA 17 1.645 14.481 -7.319 178 HA ALA 17 HA ALA 17 -0.527 16.343 -7.049 179 HB1 ALA 17 HB1 ALA 17 -0.297 13.734 -8.644 180 HB2 ALA 17 HB2 ALA 17 -1.543 14.960 -8.854 181 HB3 ALA 17 HB3 ALA 17 0.130 15.342 -9.227 182 H PHE 18 HN PHE 18 0.008 12.968 -6.026 183 HA PHE 18 HA PHE 18 -2.691 12.513 -5.121 184 HB2 PHE 18 HB2 PHE 18 -1.301 10.801 -6.093 185 HB3 PHE 18 HB3 PHE 18 -0.073 10.967 -4.877 186 HD1 PHE 18 HD1 PHE 18 -3.637 9.931 -5.424 187 HD2 PHE 18 HD2 PHE 18 -0.223 9.750 -2.796 188 HE1 PHE 18 HE1 PHE 18 -4.756 8.218 -4.059 189 HE2 PHE 18 HE2 PHE 18 -1.378 8.045 -1.438 190 HZ PHE 18 HZ PHE 18 -3.631 7.273 -2.078 191 H MET 19 HN MET 19 0.433 13.167 -3.470 192 HA MET 19 HA MET 19 -0.659 12.962 -0.855 193 HB2 MET 19 HB2 MET 19 1.797 12.690 -1.732 194 HB3 MET 19 HB3 MET 19 1.922 14.391 -1.528 195 HG2 MET 19 HG2 MET 19 2.461 13.887 0.664 196 HG3 MET 19 HG3 MET 19 0.787 13.495 0.925 197 HE1 MET 19 HE1 MET 19 1.033 9.491 0.122 198 HE2 MET 19 HE2 MET 19 -0.114 10.827 0.267 199 HE3 MET 19 HE3 MET 19 0.922 10.691 -1.160 200 H LYS 20 HN LYS 20 -0.476 15.611 -3.189 201 HA LYS 20 HA LYS 20 -1.223 17.726 -1.344 202 HB2 LYS 20 HB2 LYS 20 0.013 18.117 -3.445 203 HB3 LYS 20 HB3 LYS 20 -1.327 17.479 -4.374 204 HG2 LYS 20 HG2 LYS 20 -2.694 19.484 -3.294 205 HG3 LYS 20 HG3 LYS 20 -1.130 20.101 -2.856 206 HD2 LYS 20 HD2 LYS 20 -2.170 19.500 -5.661 207 HD3 LYS 20 HD3 LYS 20 -1.897 21.073 -4.969 208 HE2 LYS 20 HE2 LYS 20 0.582 20.617 -4.898 209 HE3 LYS 20 HE3 LYS 20 0.309 19.042 -5.627 210 HZ1 LYS 20 HZ1 LYS 20 0.901 20.645 -7.244 211 HZ2 LYS 20 HZ2 LYS 20 -0.377 21.608 -6.853 212 HZ3 LYS 20 HZ3 LYS 20 -0.639 20.124 -7.523 213 H ALA 21 HN ALA 21 -2.949 15.450 -3.541 214 HA ALA 21 HA ALA 21 -5.494 16.658 -3.378 215 HB1 ALA 21 HB1 ALA 21 -4.682 13.797 -4.097 216 HB2 ALA 21 HB2 ALA 21 -6.284 14.477 -4.355 217 HB3 ALA 21 HB3 ALA 21 -4.906 15.148 -5.207 218 H ILE 22 HN ILE 22 -3.964 14.262 -1.219 219 HA ILE 22 HA ILE 22 -6.410 13.790 0.305 220 HB ILE 22 HB ILE 22 -4.913 12.607 1.882 221 HG12 ILE 22 HG12 ILE 22 -2.643 13.160 -0.034 222 HG13 ILE 22 HG13 ILE 22 -2.829 14.041 1.450 223 HG21 ILE 22 HG21 ILE 22 -4.451 10.688 0.454 224 HG22 ILE 22 HG22 ILE 22 -5.961 11.430 -0.039 225 HG23 ILE 22 HG23 ILE 22 -4.506 11.690 -0.993 226 HD11 ILE 22 HD11 ILE 22 -1.228 12.314 1.881 227 HD12 ILE 22 HD12 ILE 22 -2.698 11.877 2.737 228 HD13 ILE 22 HD13 ILE 22 -2.277 11.062 1.225 229 H GLY 23 HN GLY 23 -4.135 16.374 0.234 230 HA2 GLY 23 HA2 GLY 23 -4.323 18.331 1.414 231 HA3 GLY 23 HA1 GLY 23 -5.397 17.596 2.581 232 H LEU 24 HN LEU 24 -2.244 16.021 1.863 233 HA LEU 24 HA LEU 24 -1.158 16.641 4.479 234 HB2 LEU 24 HB2 LEU 24 -0.493 14.859 2.237 235 HB3 LEU 24 HB3 LEU 24 0.910 15.778 2.660 236 HG LEU 24 HG LEU 24 0.563 15.064 5.061 237 HD11 LEU 24 HD11 LEU 24 -1.347 14.032 5.676 238 HD12 LEU 24 HD12 LEU 24 -0.953 12.650 4.670 239 HD13 LEU 24 HD13 LEU 24 -1.893 13.973 4.008 240 HD21 LEU 24 HD21 LEU 24 1.004 12.505 3.585 241 HD22 LEU 24 HD22 LEU 24 1.993 13.324 4.786 242 HD23 LEU 24 HD23 LEU 24 2.023 13.855 3.120 243 HA PRO 25 HA PRO 25 0.422 20.649 3.169 244 HB2 PRO 25 HB2 PRO 25 2.441 21.054 5.007 245 HB3 PRO 25 HB3 PRO 25 0.737 21.089 5.429 246 HG2 PRO 25 HG2 PRO 25 2.638 18.752 5.680 247 HG3 PRO 25 HG3 PRO 25 1.604 19.403 6.950 248 HD2 PRO 25 HD2 PRO 25 0.831 17.261 5.491 249 HD3 PRO 25 HD3 PRO 25 -0.374 18.498 5.882 250 H GLU 26 HN GLU 26 1.975 21.490 1.821 251 HA GLU 26 HA GLU 26 3.461 19.909 0.139 252 HB2 GLU 26 HB2 GLU 26 2.626 22.160 -0.327 253 HB3 GLU 26 HB3 GLU 26 3.708 22.857 0.845 254 HG2 GLU 26 HG2 GLU 26 5.681 22.186 -0.594 255 HG3 GLU 26 HG3 GLU 26 4.577 21.465 -1.747 256 H GLU 27 HN GLU 27 4.529 21.253 3.212 257 HA GLU 27 HA GLU 27 7.302 20.885 3.049 258 HB2 GLU 27 HB2 GLU 27 5.989 22.171 4.769 259 HB3 GLU 27 HB3 GLU 27 5.367 20.690 5.415 260 HG2 GLU 27 HG2 GLU 27 7.136 21.462 6.861 261 HG3 GLU 27 HG3 GLU 27 7.708 20.008 6.096 262 H LEU 28 HN LEU 28 4.748 18.612 4.204 263 HA LEU 28 HA LEU 28 6.525 16.401 4.702 264 HB2 LEU 28 HB2 LEU 28 3.520 16.836 4.667 265 HB3 LEU 28 HB3 LEU 28 4.120 15.216 4.591 266 HG LEU 28 HG LEU 28 5.357 15.432 6.646 267 HD11 LEU 28 HD11 LEU 28 4.795 18.336 6.489 268 HD12 LEU 28 HD12 LEU 28 6.035 17.461 7.371 269 HD13 LEU 28 HD13 LEU 28 4.435 17.658 8.056 270 HD21 LEU 28 HD21 LEU 28 2.697 16.308 7.636 271 HD22 LEU 28 HD22 LEU 28 3.554 14.787 7.849 272 HD23 LEU 28 HD23 LEU 28 2.627 15.083 6.390 273 H ILE 29 HN ILE 29 4.924 17.608 1.802 274 HA ILE 29 HA ILE 29 5.129 15.141 0.302 275 HB ILE 29 HB ILE 29 4.849 18.011 -0.701 276 HG12 ILE 29 HG12 ILE 29 2.726 15.909 -0.199 277 HG13 ILE 29 HG13 ILE 29 2.944 17.339 0.730 278 HG21 ILE 29 HG21 ILE 29 5.719 16.576 -2.514 279 HG22 ILE 29 HG22 ILE 29 4.438 15.401 -2.221 280 HG23 ILE 29 HG23 ILE 29 4.072 17.011 -2.841 281 HD11 ILE 29 HD11 ILE 29 2.566 18.595 -1.618 282 HD12 ILE 29 HD12 ILE 29 1.777 17.077 -2.029 283 HD13 ILE 29 HD13 ILE 29 1.209 18.021 -0.657 284 H GLN 30 HN GLN 30 7.041 18.233 0.390 285 HA GLN 30 HA GLN 30 9.034 17.322 -1.412 286 HB2 GLN 30 HB2 GLN 30 9.021 19.602 0.626 287 HB3 GLN 30 HB3 GLN 30 10.296 19.366 -0.531 288 HG2 GLN 30 HG2 GLN 30 7.398 20.084 -1.156 289 HG3 GLN 30 HG3 GLN 30 8.800 21.087 -1.363 290 HE21 GLN 30 HE21 GLN 30 6.582 19.300 -3.024 291 HE22 GLN 30 HE22 GLN 30 7.500 18.888 -4.443 292 H LYS 31 HN LYS 31 8.718 16.820 2.027 293 HA LYS 31 HA LYS 31 11.429 15.794 2.396 294 HB2 LYS 31 HB2 LYS 31 8.877 15.841 4.059 295 HB3 LYS 31 HB3 LYS 31 10.291 14.970 4.582 296 HG2 LYS 31 HG2 LYS 31 11.648 16.928 4.717 297 HG3 LYS 31 HG3 LYS 31 10.468 17.932 3.917 298 HD2 LYS 31 HD2 LYS 31 9.034 18.018 5.779 299 HD3 LYS 31 HD3 LYS 31 9.598 16.518 6.446 300 HE2 LYS 31 HE2 LYS 31 10.306 18.463 7.818 301 HE3 LYS 31 HE3 LYS 31 11.691 17.568 7.219 302 HZ1 LYS 31 HZ1 LYS 31 10.634 20.020 5.984 303 HZ2 LYS 31 HZ2 LYS 31 11.975 19.194 5.518 304 HZ3 LYS 31 HZ3 LYS 31 11.942 19.937 6.990 305 H GLY 32 HN GLY 32 8.106 14.423 2.111 306 HA2 GLY 32 HA2 GLY 32 8.805 11.734 2.595 307 HA3 GLY 32 HA1 GLY 32 7.299 12.331 1.934 308 H LYS 33 HN LYS 33 8.952 13.554 -0.464 309 HA LYS 33 HA LYS 33 8.794 11.314 -2.240 310 HB2 LYS 33 HB2 LYS 33 9.687 12.848 -3.908 311 HB3 LYS 33 HB3 LYS 33 8.382 13.589 -3.033 312 HG2 LYS 33 HG2 LYS 33 9.902 14.995 -1.772 313 HG3 LYS 33 HG3 LYS 33 11.310 14.136 -2.322 314 HD2 LYS 33 HD2 LYS 33 10.861 14.893 -4.673 315 HD3 LYS 33 HD3 LYS 33 9.489 15.797 -4.094 316 HE2 LYS 33 HE2 LYS 33 11.466 17.267 -4.388 317 HE3 LYS 33 HE3 LYS 33 10.943 17.252 -2.719 318 HZ1 LYS 33 HZ1 LYS 33 12.664 15.699 -2.216 319 HZ2 LYS 33 HZ2 LYS 33 13.288 17.063 -2.895 320 HZ3 LYS 33 HZ3 LYS 33 13.172 15.680 -3.785 321 H ASP 34 HN ASP 34 11.433 12.739 -0.357 322 HA ASP 34 HA ASP 34 13.544 11.348 -1.811 323 HB2 ASP 34 HB2 ASP 34 13.675 13.740 -0.860 324 HB3 ASP 34 HB3 ASP 34 13.769 13.067 0.720 325 H ILE 35 HN ILE 35 11.866 11.139 1.346 326 HA ILE 35 HA ILE 35 13.476 9.070 2.470 327 HB ILE 35 HB ILE 35 10.586 9.884 3.020 328 HG12 ILE 35 HG12 ILE 35 12.202 11.698 3.472 329 HG13 ILE 35 HG13 ILE 35 11.319 11.171 4.863 330 HG21 ILE 35 HG21 ILE 35 10.887 8.751 5.277 331 HG22 ILE 35 HG22 ILE 35 10.764 7.636 3.934 332 HG23 ILE 35 HG23 ILE 35 12.335 7.983 4.643 333 HD11 ILE 35 HD11 ILE 35 13.740 11.618 5.338 334 HD12 ILE 35 HD12 ILE 35 13.297 9.967 5.742 335 HD13 ILE 35 HD13 ILE 35 14.202 10.306 4.266 336 H LYS 36 HN LYS 36 13.786 7.214 1.379 337 HA LYS 36 HA LYS 36 11.708 5.784 -0.030 338 HB2 LYS 36 HB2 LYS 36 13.337 3.922 -0.057 339 HB3 LYS 36 HB3 LYS 36 13.869 5.370 -0.835 340 HG2 LYS 36 HG2 LYS 36 14.744 4.936 2.040 341 HG3 LYS 36 HG3 LYS 36 15.427 3.904 0.841 342 HD2 LYS 36 HD2 LYS 36 15.479 6.891 0.322 343 HD3 LYS 36 HD3 LYS 36 16.518 6.262 1.561 344 HE2 LYS 36 HE2 LYS 36 17.754 6.383 -0.546 345 HE3 LYS 36 HE3 LYS 36 17.582 4.700 -0.093 346 HZ1 LYS 36 HZ1 LYS 36 15.929 6.129 -2.054 347 HZ2 LYS 36 HZ2 LYS 36 15.751 4.544 -1.638 348 HZ3 LYS 36 HZ3 LYS 36 17.129 5.051 -2.394 349 H GLY 37 HN GLY 37 10.039 4.925 0.952 350 HA2 GLY 37 HA2 GLY 37 9.847 4.488 3.784 351 HA3 GLY 37 HA1 GLY 37 8.668 4.064 2.548 352 H VAL 38 HN VAL 38 8.943 2.351 4.596 353 HA VAL 38 HA VAL 38 9.916 -0.073 3.207 354 HB VAL 38 HB VAL 38 10.255 0.436 6.201 355 HG11 VAL 38 HG11 VAL 38 10.764 -2.113 4.589 356 HG12 VAL 38 HG12 VAL 38 11.316 -1.858 6.240 357 HG13 VAL 38 HG13 VAL 38 9.603 -1.920 5.899 358 HG21 VAL 38 HG21 VAL 38 12.688 0.087 5.794 359 HG22 VAL 38 HG22 VAL 38 12.386 0.010 4.061 360 HG23 VAL 38 HG23 VAL 38 12.091 1.503 4.951 361 H SER 39 HN SER 39 8.305 -1.383 2.916 362 HA SER 39 HA SER 39 5.789 -1.158 4.495 363 HB2 SER 39 HB2 SER 39 6.388 -2.150 1.650 364 HB3 SER 39 HB3 SER 39 4.842 -2.360 2.456 365 HG SER 39 HG SER 39 6.119 0.110 1.935 366 H GLU 40 HN GLU 40 5.000 -3.021 5.463 367 HA GLU 40 HA GLU 40 6.370 -5.597 5.036 368 HB2 GLU 40 HB2 GLU 40 7.505 -4.587 6.972 369 HB3 GLU 40 HB3 GLU 40 6.005 -4.218 7.730 370 HG2 GLU 40 HG2 GLU 40 6.043 -7.112 7.209 371 HG3 GLU 40 HG3 GLU 40 7.593 -6.661 7.838 372 H ILE 41 HN ILE 41 4.982 -7.243 4.950 373 HA ILE 41 HA ILE 41 2.105 -6.685 5.504 374 HB ILE 41 HB ILE 41 3.255 -8.340 3.219 375 HG12 ILE 41 HG12 ILE 41 1.993 -5.585 2.966 376 HG13 ILE 41 HG13 ILE 41 3.705 -5.857 2.897 377 HG21 ILE 41 HG21 ILE 41 1.029 -9.173 3.750 378 HG22 ILE 41 HG22 ILE 41 0.387 -7.538 3.914 379 HG23 ILE 41 HG23 ILE 41 0.823 -8.153 2.347 380 HD11 ILE 41 HD11 ILE 41 1.680 -6.590 0.805 381 HD12 ILE 41 HD12 ILE 41 3.260 -5.839 0.648 382 HD13 ILE 41 HD13 ILE 41 3.137 -7.566 0.937 383 H VAL 42 HN VAL 42 0.920 -8.426 6.271 384 HA VAL 42 HA VAL 42 2.272 -11.016 6.846 385 HB VAL 42 HB VAL 42 0.440 -9.457 8.739 386 HG11 VAL 42 HG11 VAL 42 -0.031 -11.804 9.080 387 HG12 VAL 42 HG12 VAL 42 1.686 -12.204 9.135 388 HG13 VAL 42 HG13 VAL 42 0.944 -11.256 10.419 389 HG21 VAL 42 HG21 VAL 42 2.393 -9.357 10.303 390 HG22 VAL 42 HG22 VAL 42 3.422 -10.033 9.042 391 HG23 VAL 42 HG23 VAL 42 2.680 -8.448 8.837 392 H GLN 43 HN GLN 43 0.795 -12.793 6.758 393 HA GLN 43 HA GLN 43 -1.987 -12.255 5.897 394 HB2 GLN 43 HB2 GLN 43 -0.669 -12.486 3.850 395 HB3 GLN 43 HB3 GLN 43 0.011 -13.996 4.390 396 HG2 GLN 43 HG2 GLN 43 -2.231 -15.083 4.323 397 HG3 GLN 43 HG3 GLN 43 -2.987 -13.548 3.966 398 HE21 GLN 43 HE21 GLN 43 -3.778 -15.223 2.233 399 HE22 GLN 43 HE22 GLN 43 -2.904 -15.187 0.722 400 H ASN 44 HN ASN 44 -2.894 -12.927 7.718 401 HA ASN 44 HA ASN 44 -2.255 -15.596 8.877 402 HB2 ASN 44 HB2 ASN 44 -3.651 -13.116 10.030 403 HB3 ASN 44 HB3 ASN 44 -3.557 -14.658 10.852 404 HD21 ASN 44 HD21 ASN 44 -2.605 -12.265 11.983 405 HD22 ASN 44 HD22 ASN 44 -0.877 -12.413 12.168 406 H GLY 45 HN GLY 45 -3.359 -16.436 6.903 407 HA2 GLY 45 HA2 GLY 45 -5.147 -17.555 6.001 408 HA3 GLY 45 HA1 GLY 45 -6.134 -17.113 7.387 409 H LYS 46 HN LYS 46 -7.814 -15.764 6.880 410 HA LYS 46 HA LYS 46 -7.899 -14.199 4.407 411 HB2 LYS 46 HB2 LYS 46 -9.861 -14.374 6.732 412 HB3 LYS 46 HB3 LYS 46 -10.171 -13.624 5.190 413 HG2 LYS 46 HG2 LYS 46 -9.770 -16.607 5.712 414 HG3 LYS 46 HG3 LYS 46 -11.254 -15.787 5.368 415 HD2 LYS 46 HD2 LYS 46 -10.893 -16.579 3.272 416 HD3 LYS 46 HD3 LYS 46 -10.031 -15.079 3.100 417 HE2 LYS 46 HE2 LYS 46 -7.847 -16.223 3.464 418 HE3 LYS 46 HE3 LYS 46 -8.673 -17.722 3.843 419 HZ1 LYS 46 HZ1 LYS 46 -9.539 -17.742 1.624 420 HZ2 LYS 46 HZ2 LYS 46 -7.891 -17.681 1.618 421 HZ3 LYS 46 HZ3 LYS 46 -8.767 -16.330 1.269 422 H HIS 47 HN HIS 47 -7.019 -13.591 7.790 423 HA HIS 47 HA HIS 47 -7.365 -10.724 7.616 424 HB2 HIS 47 HB2 HIS 47 -7.467 -11.941 9.773 425 HB3 HIS 47 HB3 HIS 47 -5.778 -12.353 9.629 426 HD1 HIS 47 HD1 HIS 47 -8.014 -9.237 9.785 427 HD2 HIS 47 HD2 HIS 47 -4.033 -10.333 10.658 428 HE1 HIS 47 HE1 HIS 47 -6.863 -7.264 10.876 429 H PHE 48 HN PHE 48 -5.904 -9.176 7.163 430 HA PHE 48 HA PHE 48 -3.121 -9.882 6.427 431 HB2 PHE 48 HB2 PHE 48 -5.117 -8.066 5.013 432 HB3 PHE 48 HB3 PHE 48 -3.406 -7.840 4.810 433 HD1 PHE 48 HD1 PHE 48 -6.205 -10.184 4.163 434 HD2 PHE 48 HD2 PHE 48 -2.029 -9.360 3.487 435 HE1 PHE 48 HE1 PHE 48 -6.136 -11.908 2.399 436 HE2 PHE 48 HE2 PHE 48 -2.005 -11.083 1.720 437 HZ PHE 48 HZ PHE 48 -4.038 -12.337 1.175 438 H LYS 49 HN LYS 49 -1.598 -8.528 7.206 439 HA LYS 49 HA LYS 49 -2.456 -5.978 8.503 440 HB2 LYS 49 HB2 LYS 49 -1.206 -7.925 9.902 441 HB3 LYS 49 HB3 LYS 49 0.214 -7.265 9.129 442 HG2 LYS 49 HG2 LYS 49 -0.566 -4.956 10.016 443 HG3 LYS 49 HG3 LYS 49 -1.841 -5.803 10.842 444 HD2 LYS 49 HD2 LYS 49 0.142 -7.230 11.904 445 HD3 LYS 49 HD3 LYS 49 1.134 -5.892 11.373 446 HE2 LYS 49 HE2 LYS 49 -0.514 -4.323 12.630 447 HE3 LYS 49 HE3 LYS 49 -1.225 -5.783 13.305 448 HZ1 LYS 49 HZ1 LYS 49 0.931 -6.324 14.212 449 HZ2 LYS 49 HZ2 LYS 49 0.382 -4.861 14.748 450 HZ3 LYS 49 HZ3 LYS 49 1.557 -4.921 13.597 451 H PHE 50 HN PHE 50 -1.378 -4.172 7.820 452 HA PHE 50 HA PHE 50 0.707 -4.340 5.712 453 HB2 PHE 50 HB2 PHE 50 -2.112 -3.369 5.430 454 HB3 PHE 50 HB3 PHE 50 -0.913 -2.274 4.816 455 HD1 PHE 50 HD1 PHE 50 0.366 -2.767 2.801 456 HD2 PHE 50 HD2 PHE 50 -2.384 -5.658 4.445 457 HE1 PHE 50 HE1 PHE 50 0.419 -4.045 0.693 458 HE2 PHE 50 HE2 PHE 50 -2.294 -6.918 2.331 459 HZ PHE 50 HZ PHE 50 -0.918 -6.103 0.457 460 H THR 51 HN THR 51 2.205 -3.724 7.250 461 HA THR 51 HA THR 51 1.905 -1.152 8.660 462 HB THR 51 HB THR 51 4.245 -3.113 8.504 463 HG1 THR 51 HG1 THR 51 2.606 -4.016 9.610 464 HG21 THR 51 HG21 THR 51 5.094 -0.832 9.117 465 HG22 THR 51 HG22 THR 51 5.131 -1.897 10.511 466 HG23 THR 51 HG23 THR 51 3.849 -0.700 10.356 467 H ILE 52 HN ILE 52 2.671 0.764 7.717 468 HA ILE 52 HA ILE 52 4.678 0.594 5.512 469 HB ILE 52 HB ILE 52 2.311 2.527 5.419 470 HG12 ILE 52 HG12 ILE 52 1.834 1.023 3.244 471 HG13 ILE 52 HG13 ILE 52 2.474 -0.238 4.241 472 HG21 ILE 52 HG21 ILE 52 4.347 3.345 4.275 473 HG22 ILE 52 HG22 ILE 52 4.435 1.856 3.342 474 HG23 ILE 52 HG23 ILE 52 3.091 2.972 3.119 475 HD11 ILE 52 HD11 ILE 52 0.111 -0.242 4.677 476 HD12 ILE 52 HD12 ILE 52 0.703 0.691 6.047 477 HD13 ILE 52 HD13 ILE 52 0.003 1.512 4.661 478 H THR 53 HN THR 53 6.406 1.620 6.254 479 HA THR 53 HA THR 53 6.125 4.040 7.966 480 HB THR 53 HB THR 53 8.585 2.342 7.300 481 HG1 THR 53 HG1 THR 53 7.106 1.316 8.645 482 HG21 THR 53 HG21 THR 53 9.673 3.600 9.186 483 HG22 THR 53 HG22 THR 53 8.272 4.661 9.290 484 HG23 THR 53 HG23 THR 53 9.295 4.677 7.855 485 H ALA 54 HN ALA 54 6.555 6.005 7.064 486 HA ALA 54 HA ALA 54 8.493 6.530 5.090 487 HB1 ALA 54 HB1 ALA 54 6.942 7.340 3.239 488 HB2 ALA 54 HB2 ALA 54 6.919 5.598 3.403 489 HB3 ALA 54 HB3 ALA 54 5.595 6.554 4.058 490 H GLY 55 HN GLY 55 8.976 8.705 5.162 491 HA2 GLY 55 HA2 GLY 55 8.946 10.884 5.849 492 HA3 GLY 55 HA1 GLY 55 7.195 10.816 5.921 493 H SER 56 HN SER 56 9.517 8.783 7.724 494 HA SER 56 HA SER 56 10.112 8.452 9.792 495 HB2 SER 56 HB2 SER 56 8.866 11.167 10.519 496 HB3 SER 56 HB3 SER 56 9.779 10.165 11.612 497 HG SER 56 HG SER 56 11.574 10.354 10.355 498 H LYS 57 HN LYS 57 6.681 9.272 9.391 499 HA LYS 57 HA LYS 57 5.862 7.905 11.815 500 HB2 LYS 57 HB2 LYS 57 3.626 8.586 11.168 501 HB3 LYS 57 HB3 LYS 57 4.739 9.906 11.064 502 HG2 LYS 57 HG2 LYS 57 3.333 10.163 9.229 503 HG3 LYS 57 HG3 LYS 57 4.809 9.592 8.531 504 HD2 LYS 57 HD2 LYS 57 3.899 7.535 7.886 505 HD3 LYS 57 HD3 LYS 57 2.740 7.481 9.183 506 HE2 LYS 57 HE2 LYS 57 2.538 9.435 6.827 507 HE3 LYS 57 HE3 LYS 57 1.793 7.853 6.836 508 HZ1 LYS 57 HZ1 LYS 57 0.549 8.448 8.764 509 HZ2 LYS 57 HZ2 LYS 57 0.270 9.524 7.544 510 HZ3 LYS 57 HZ3 LYS 57 1.243 9.943 8.808 511 H VAL 58 HN VAL 58 4.189 6.219 11.826 512 HA VAL 58 HA VAL 58 4.571 4.167 9.690 513 HB VAL 58 HB VAL 58 4.224 3.659 12.682 514 HG11 VAL 58 HG11 VAL 58 3.322 1.793 11.352 515 HG12 VAL 58 HG12 VAL 58 4.792 1.729 10.385 516 HG13 VAL 58 HG13 VAL 58 4.826 1.298 12.092 517 HG21 VAL 58 HG21 VAL 58 6.596 2.837 12.649 518 HG22 VAL 58 HG22 VAL 58 6.783 3.530 11.042 519 HG23 VAL 58 HG23 VAL 58 6.463 4.569 12.421 520 H ILE 59 HN ILE 59 2.755 3.628 8.747 521 HA ILE 59 HA ILE 59 0.059 4.014 9.944 522 HB ILE 59 HB ILE 59 1.050 3.078 7.210 523 HG12 ILE 59 HG12 ILE 59 -0.458 5.664 7.475 524 HG13 ILE 59 HG13 ILE 59 1.202 5.664 7.958 525 HG21 ILE 59 HG21 ILE 59 -1.281 3.330 6.359 526 HG22 ILE 59 HG22 ILE 59 -1.152 2.054 7.544 527 HG23 ILE 59 HG23 ILE 59 -1.840 3.609 7.998 528 HD11 ILE 59 HD11 ILE 59 2.027 5.047 5.805 529 HD12 ILE 59 HD12 ILE 59 0.432 4.563 5.225 530 HD13 ILE 59 HD13 ILE 59 0.785 6.260 5.516 531 H GLN 60 HN GLN 60 -1.194 2.141 10.453 532 HA GLN 60 HA GLN 60 -0.156 -0.527 9.694 533 HB2 GLN 60 HB2 GLN 60 -0.863 0.274 12.545 534 HB3 GLN 60 HB3 GLN 60 -0.866 -1.375 11.977 535 HG2 GLN 60 HG2 GLN 60 1.574 -1.085 11.275 536 HG3 GLN 60 HG3 GLN 60 1.564 0.473 12.069 537 HE21 GLN 60 HE21 GLN 60 1.477 0.561 14.394 538 HE22 GLN 60 HE22 GLN 60 1.748 -0.857 15.370 539 H ASN 61 HN ASN 61 -1.637 -0.660 8.121 540 HA ASN 61 HA ASN 61 -4.481 -0.487 8.636 541 HB2 ASN 61 HB2 ASN 61 -2.768 -1.526 6.329 542 HB3 ASN 61 HB3 ASN 61 -4.507 -1.690 6.314 543 HD21 ASN 61 HD21 ASN 61 -5.831 0.311 6.485 544 HD22 ASN 61 HD22 ASN 61 -5.187 1.791 5.815 545 H GLU 62 HN GLU 62 -5.806 -2.160 9.185 546 HA GLU 62 HA GLU 62 -4.871 -4.974 9.241 547 HB2 GLU 62 HB2 GLU 62 -6.111 -3.347 11.505 548 HB3 GLU 62 HB3 GLU 62 -6.369 -5.065 11.407 549 HG2 GLU 62 HG2 GLU 62 -3.928 -5.482 11.503 550 HG3 GLU 62 HG3 GLU 62 -3.602 -3.758 11.559 551 H PHE 63 HN PHE 63 -6.273 -6.191 8.116 552 HA PHE 63 HA PHE 63 -9.088 -5.744 8.245 553 HB2 PHE 63 HB2 PHE 63 -9.458 -5.375 5.799 554 HB3 PHE 63 HB3 PHE 63 -8.666 -4.037 6.553 555 HD1 PHE 63 HD1 PHE 63 -6.348 -3.436 5.900 556 HD2 PHE 63 HD2 PHE 63 -8.218 -6.982 4.296 557 HE1 PHE 63 HE1 PHE 63 -4.558 -3.648 4.220 558 HE2 PHE 63 HE2 PHE 63 -6.404 -7.168 2.646 559 HZ PHE 63 HZ PHE 63 -4.601 -5.495 2.587 560 H THR 64 HN THR 64 -10.371 -7.324 7.120 561 HA THR 64 HA THR 64 -8.915 -9.840 6.462 562 HB THR 64 HB THR 64 -11.590 -9.441 7.907 563 HG1 THR 64 HG1 THR 64 -10.504 -10.549 9.550 564 HG21 THR 64 HG21 THR 64 -11.592 -11.963 8.151 565 HG22 THR 64 HG22 THR 64 -10.248 -12.044 7.031 566 HG23 THR 64 HG23 THR 64 -11.821 -11.466 6.485 567 H VAL 65 HN VAL 65 -9.219 -10.491 4.417 568 HA VAL 65 HA VAL 65 -10.840 -8.912 2.679 569 HB VAL 65 HB VAL 65 -10.117 -10.381 0.882 570 HG11 VAL 65 HG11 VAL 65 -7.859 -9.532 2.722 571 HG12 VAL 65 HG12 VAL 65 -7.681 -9.912 1.018 572 HG13 VAL 65 HG13 VAL 65 -8.673 -8.551 1.519 573 HG21 VAL 65 HG21 VAL 65 -8.480 -12.227 1.220 574 HG22 VAL 65 HG22 VAL 65 -8.794 -12.185 2.946 575 HG23 VAL 65 HG23 VAL 65 -10.071 -12.629 1.822 576 H GLY 66 HN GLY 66 -12.755 -9.259 1.747 577 HA2 GLY 66 HA2 GLY 66 -14.736 -10.299 1.158 578 HA3 GLY 66 HA1 GLY 66 -14.323 -11.745 2.058 579 H GLU 67 HN GLU 67 -13.595 -9.512 4.349 580 HA GLU 67 HA GLU 67 -16.376 -9.150 5.396 581 HB2 GLU 67 HB2 GLU 67 -13.705 -9.377 6.862 582 HB3 GLU 67 HB3 GLU 67 -15.225 -9.005 7.622 583 HG2 GLU 67 HG2 GLU 67 -16.114 -11.258 6.798 584 HG3 GLU 67 HG3 GLU 67 -14.495 -11.641 6.252 585 H GLU 68 HN GLU 68 -16.722 -7.154 6.607 586 HA GLU 68 HA GLU 68 -15.301 -4.835 5.524 587 HB2 GLU 68 HB2 GLU 68 -17.794 -4.837 5.916 588 HB3 GLU 68 HB3 GLU 68 -17.497 -4.957 7.628 589 HG2 GLU 68 HG2 GLU 68 -16.196 -2.758 7.526 590 HG3 GLU 68 HG3 GLU 68 -16.551 -2.663 5.819 591 H CYS 69 HN CYS 69 -13.702 -3.794 6.492 592 HA CYS 69 HA CYS 69 -13.218 -3.896 9.373 593 HB2 CYS 69 HB2 CYS 69 -11.188 -4.851 7.293 594 HB3 CYS 69 HB3 CYS 69 -10.676 -4.197 8.841 595 HG CYS 69 HG CYS 69 -12.692 -6.735 8.305 596 H GLU 70 HN GLU 70 -11.238 -2.266 9.755 597 HA GLU 70 HA GLU 70 -12.109 0.185 8.294 598 HB2 GLU 70 HB2 GLU 70 -12.846 -0.356 10.707 599 HB3 GLU 70 HB3 GLU 70 -11.206 -0.008 11.178 600 HG2 GLU 70 HG2 GLU 70 -11.431 2.293 10.126 601 HG3 GLU 70 HG3 GLU 70 -13.057 1.898 9.671 602 H LEU 71 HN LEU 71 -10.642 0.859 6.926 603 HA LEU 71 HA LEU 71 -7.787 0.341 7.274 604 HB2 LEU 71 HB2 LEU 71 -9.571 1.435 5.068 605 HB3 LEU 71 HB3 LEU 71 -7.894 1.878 5.065 606 HG LEU 71 HG LEU 71 -7.184 -0.467 5.096 607 HD11 LEU 71 HD11 LEU 71 -9.285 -2.026 4.215 608 HD12 LEU 71 HD12 LEU 71 -10.071 -1.055 5.442 609 HD13 LEU 71 HD13 LEU 71 -8.647 -1.992 5.852 610 HD21 LEU 71 HD21 LEU 71 -7.208 -0.634 2.823 611 HD22 LEU 71 HD22 LEU 71 -7.799 1.010 2.950 612 HD23 LEU 71 HD23 LEU 71 -8.931 -0.304 2.668 613 H GLU 72 HN GLU 72 -6.371 1.675 8.118 614 HA GLU 72 HA GLU 72 -6.848 4.445 8.762 615 HB2 GLU 72 HB2 GLU 72 -5.370 2.962 10.097 616 HB3 GLU 72 HB3 GLU 72 -4.335 2.718 8.717 617 HG2 GLU 72 HG2 GLU 72 -3.709 5.148 8.736 618 HG3 GLU 72 HG3 GLU 72 -4.807 5.432 10.071 619 H THR 73 HN THR 73 -5.737 6.243 7.745 620 HA THR 73 HA THR 73 -5.012 5.844 4.864 621 HB THR 73 HB THR 73 -5.925 8.006 4.442 622 HG1 THR 73 HG1 THR 73 -6.872 9.267 6.106 623 HG21 THR 73 HG21 THR 73 -7.644 6.191 4.590 624 HG22 THR 73 HG22 THR 73 -8.295 7.789 4.904 625 HG23 THR 73 HG23 THR 73 -8.006 6.686 6.239 626 H MET 74 HN MET 74 -3.681 7.745 4.046 627 HA MET 74 HA MET 74 -1.170 7.997 5.320 628 HB2 MET 74 HB2 MET 74 -2.582 9.641 3.179 629 HB3 MET 74 HB3 MET 74 -0.913 9.893 3.578 630 HG2 MET 74 HG2 MET 74 -2.144 7.393 2.338 631 HG3 MET 74 HG3 MET 74 -1.128 8.566 1.551 632 HE1 MET 74 HE1 MET 74 2.383 7.843 3.358 633 HE2 MET 74 HE2 MET 74 1.490 9.022 2.391 634 HE3 MET 74 HE3 MET 74 1.163 8.862 4.123 635 H THR 75 HN THR 75 -4.120 9.925 5.694 636 HA THR 75 HA THR 75 -2.740 12.170 6.996 637 HB THR 75 HB THR 75 -4.856 13.269 6.960 638 HG1 THR 75 HG1 THR 75 -6.233 11.695 7.585 639 HG21 THR 75 HG21 THR 75 -5.572 13.262 4.610 640 HG22 THR 75 HG22 THR 75 -4.669 11.787 4.299 641 HG23 THR 75 HG23 THR 75 -3.826 13.274 4.733 642 H GLY 76 HN GLY 76 -3.746 9.129 8.090 643 HA2 GLY 76 HA2 GLY 76 -3.829 8.335 10.244 644 HA3 GLY 76 HA1 GLY 76 -3.729 9.957 10.896 645 H GLU 77 HN GLU 77 -6.198 9.291 8.459 646 HA GLU 77 HA GLU 77 -8.408 9.456 10.418 647 HB2 GLU 77 HB2 GLU 77 -7.946 10.448 7.772 648 HB3 GLU 77 HB3 GLU 77 -9.059 9.158 7.525 649 HG2 GLU 77 HG2 GLU 77 -9.504 11.458 9.497 650 HG3 GLU 77 HG3 GLU 77 -10.088 11.447 7.860 651 H LYS 78 HN LYS 78 -10.242 7.851 10.066 652 HA LYS 78 HA LYS 78 -9.395 5.230 8.968 653 HB2 LYS 78 HB2 LYS 78 -10.645 5.654 11.732 654 HB3 LYS 78 HB3 LYS 78 -10.561 4.145 10.894 655 HG2 LYS 78 HG2 LYS 78 -7.909 4.739 10.792 656 HG3 LYS 78 HG3 LYS 78 -8.342 5.663 12.197 657 HD2 LYS 78 HD2 LYS 78 -7.731 3.579 13.110 658 HD3 LYS 78 HD3 LYS 78 -9.473 3.486 13.085 659 HE2 LYS 78 HE2 LYS 78 -9.307 2.240 10.841 660 HE3 LYS 78 HE3 LYS 78 -7.571 2.233 11.031 661 HZ1 LYS 78 HZ1 LYS 78 -7.857 1.002 13.061 662 HZ2 LYS 78 HZ2 LYS 78 -8.570 0.230 11.789 663 HZ3 LYS 78 HZ3 LYS 78 -9.499 1.034 12.891 664 H VAL 79 HN VAL 79 -10.944 4.164 7.847 665 HA VAL 79 HA VAL 79 -13.776 4.859 8.139 666 HB VAL 79 HB VAL 79 -14.089 5.039 5.678 667 HG11 VAL 79 HG11 VAL 79 -12.344 7.317 6.661 668 HG12 VAL 79 HG12 VAL 79 -13.612 7.371 5.443 669 HG13 VAL 79 HG13 VAL 79 -14.029 7.079 7.117 670 HG21 VAL 79 HG21 VAL 79 -12.229 5.638 4.160 671 HG22 VAL 79 HG22 VAL 79 -11.060 5.303 5.433 672 HG23 VAL 79 HG23 VAL 79 -12.055 4.009 4.767 673 H LYS 80 HN LYS 80 -15.168 3.242 7.560 674 HA LYS 80 HA LYS 80 -14.069 0.570 7.458 675 HB2 LYS 80 HB2 LYS 80 -16.877 1.706 7.710 676 HB3 LYS 80 HB3 LYS 80 -16.568 -0.003 7.551 677 HG2 LYS 80 HG2 LYS 80 -15.129 -0.023 9.547 678 HG3 LYS 80 HG3 LYS 80 -15.362 1.694 9.772 679 HD2 LYS 80 HD2 LYS 80 -17.694 1.435 10.297 680 HD3 LYS 80 HD3 LYS 80 -17.741 -0.197 9.707 681 HE2 LYS 80 HE2 LYS 80 -17.764 -0.236 12.144 682 HE3 LYS 80 HE3 LYS 80 -16.260 -0.946 11.595 683 HZ1 LYS 80 HZ1 LYS 80 -15.151 1.110 12.089 684 HZ2 LYS 80 HZ2 LYS 80 -15.971 0.585 13.406 685 HZ3 LYS 80 HZ3 LYS 80 -16.575 1.830 12.512 686 H THR 81 HN THR 81 -14.182 -0.947 5.872 687 HA THR 81 HA THR 81 -15.585 -0.629 3.393 688 HB THR 81 HB THR 81 -13.797 0.990 2.891 689 HG1 THR 81 HG1 THR 81 -13.014 0.072 1.081 690 HG21 THR 81 HG21 THR 81 -11.731 -1.208 3.480 691 HG22 THR 81 HG22 THR 81 -11.988 0.231 4.465 692 HG23 THR 81 HG23 THR 81 -11.399 0.384 2.820 693 H VAL 82 HN VAL 82 -15.423 -2.479 2.041 694 HA VAL 82 HA VAL 82 -14.384 -4.934 3.358 695 HB VAL 82 HB VAL 82 -16.279 -4.575 0.989 696 HG11 VAL 82 HG11 VAL 82 -15.500 -7.141 2.464 697 HG12 VAL 82 HG12 VAL 82 -16.742 -7.016 1.228 698 HG13 VAL 82 HG13 VAL 82 -15.062 -6.747 0.810 699 HG21 VAL 82 HG21 VAL 82 -16.970 -5.449 3.818 700 HG22 VAL 82 HG22 VAL 82 -17.365 -3.876 3.129 701 HG23 VAL 82 HG23 VAL 82 -18.080 -5.333 2.467 702 H VAL 83 HN VAL 83 -12.297 -5.331 2.791 703 HA VAL 83 HA VAL 83 -11.246 -4.635 0.139 704 HB VAL 83 HB VAL 83 -9.932 -6.244 2.384 705 HG11 VAL 83 HG11 VAL 83 -8.727 -4.953 -0.109 706 HG12 VAL 83 HG12 VAL 83 -7.772 -5.488 1.247 707 HG13 VAL 83 HG13 VAL 83 -8.693 -6.649 0.325 708 HG21 VAL 83 HG21 VAL 83 -8.705 -4.112 2.939 709 HG22 VAL 83 HG22 VAL 83 -9.801 -3.241 1.894 710 HG23 VAL 83 HG23 VAL 83 -10.415 -4.060 3.321 711 H GLN 84 HN GLN 84 -10.601 -6.134 -1.428 712 HA GLN 84 HA GLN 84 -11.675 -8.914 -1.219 713 HB2 GLN 84 HB2 GLN 84 -11.560 -6.961 -3.584 714 HB3 GLN 84 HB3 GLN 84 -12.015 -8.629 -3.737 715 HG2 GLN 84 HG2 GLN 84 -13.546 -6.516 -2.136 716 HG3 GLN 84 HG3 GLN 84 -13.988 -7.136 -3.705 717 HE21 GLN 84 HE21 GLN 84 -15.692 -7.180 -1.403 718 HE22 GLN 84 HE22 GLN 84 -16.022 -8.853 -1.036 719 H LEU 85 HN LEU 85 -10.615 -10.483 -2.542 720 HA LEU 85 HA LEU 85 -7.855 -9.892 -3.402 721 HB2 LEU 85 HB2 LEU 85 -7.754 -10.763 -1.091 722 HB3 LEU 85 HB3 LEU 85 -8.666 -12.155 -1.509 723 HG LEU 85 HG LEU 85 -6.313 -11.844 -3.279 724 HD11 LEU 85 HD11 LEU 85 -4.792 -11.122 -1.791 725 HD12 LEU 85 HD12 LEU 85 -4.846 -12.745 -1.131 726 HD13 LEU 85 HD13 LEU 85 -5.794 -11.472 -0.388 727 HD21 LEU 85 HD21 LEU 85 -7.853 -13.957 -2.715 728 HD22 LEU 85 HD22 LEU 85 -6.659 -14.211 -1.450 729 HD23 LEU 85 HD23 LEU 85 -6.161 -14.144 -3.135 730 H GLU 86 HN GLU 86 -7.482 -10.689 -5.359 731 HA GLU 86 HA GLU 86 -9.428 -12.479 -6.682 732 HB2 GLU 86 HB2 GLU 86 -7.006 -10.938 -7.724 733 HB3 GLU 86 HB3 GLU 86 -8.083 -11.878 -8.714 734 HG2 GLU 86 HG2 GLU 86 -10.008 -10.372 -7.948 735 HG3 GLU 86 HG3 GLU 86 -8.825 -9.347 -7.162 736 H GLY 87 HN GLY 87 -8.401 -14.112 -8.219 737 HA2 GLY 87 HA2 GLY 87 -6.693 -15.985 -6.749 738 HA3 GLY 87 HA1 GLY 87 -7.460 -16.209 -8.306 739 H ASP 88 HN ASP 88 -5.909 -13.243 -8.564 740 HA ASP 88 HA ASP 88 -3.511 -14.428 -9.876 741 HB2 ASP 88 HB2 ASP 88 -5.002 -11.902 -10.644 742 HB3 ASP 88 HB3 ASP 88 -3.663 -12.609 -11.526 743 H ASN 89 HN ASN 89 -3.386 -13.864 -7.145 744 HA ASN 89 HA ASN 89 -2.352 -12.824 -5.589 745 HB2 ASN 89 HB2 ASN 89 0.221 -12.184 -6.250 746 HB3 ASN 89 HB3 ASN 89 -0.397 -13.757 -5.970 747 HD21 ASN 89 HD21 ASN 89 0.651 -11.587 -8.568 748 HD22 ASN 89 HD22 ASN 89 0.831 -12.851 -9.759 749 H LYS 90 HN LYS 90 -4.182 -11.123 -6.350 750 HA LYS 90 HA LYS 90 -2.993 -8.417 -6.092 751 HB2 LYS 90 HB2 LYS 90 -5.213 -9.391 -7.942 752 HB3 LYS 90 HB3 LYS 90 -4.988 -7.703 -7.589 753 HG2 LYS 90 HG2 LYS 90 -2.964 -7.529 -8.764 754 HG3 LYS 90 HG3 LYS 90 -2.606 -9.220 -8.665 755 HD2 LYS 90 HD2 LYS 90 -3.220 -8.917 -10.914 756 HD3 LYS 90 HD3 LYS 90 -4.601 -9.674 -10.182 757 HE2 LYS 90 HE2 LYS 90 -5.527 -7.202 -9.887 758 HE3 LYS 90 HE3 LYS 90 -4.297 -6.777 -11.059 759 HZ1 LYS 90 HZ1 LYS 90 -5.294 -8.469 -12.516 760 HZ2 LYS 90 HZ2 LYS 90 -6.365 -7.278 -12.103 761 HZ3 LYS 90 HZ3 LYS 90 -6.454 -8.745 -11.364 762 H LEU 91 HN LEU 91 -4.130 -6.971 -4.873 763 HA LEU 91 HA LEU 91 -6.596 -7.839 -3.421 764 HB2 LEU 91 HB2 LEU 91 -4.343 -5.952 -2.607 765 HB3 LEU 91 HB3 LEU 91 -5.823 -6.053 -1.728 766 HG LEU 91 HG LEU 91 -4.114 -8.537 -2.131 767 HD11 LEU 91 HD11 LEU 91 -2.482 -7.424 -0.989 768 HD12 LEU 91 HD12 LEU 91 -3.456 -7.829 0.412 769 HD13 LEU 91 HD13 LEU 91 -3.576 -6.230 -0.307 770 HD21 LEU 91 HD21 LEU 91 -6.370 -7.763 -0.231 771 HD22 LEU 91 HD22 LEU 91 -5.306 -9.126 0.093 772 HD23 LEU 91 HD23 LEU 91 -6.290 -9.100 -1.363 773 H VAL 92 HN VAL 92 -8.218 -6.185 -3.210 774 HA VAL 92 HA VAL 92 -7.871 -3.658 -4.694 775 HB VAL 92 HB VAL 92 -10.183 -5.595 -5.218 776 HG11 VAL 92 HG11 VAL 92 -9.676 -2.816 -6.377 777 HG12 VAL 92 HG12 VAL 92 -10.873 -3.947 -6.997 778 HG13 VAL 92 HG13 VAL 92 -11.046 -3.309 -5.382 779 HG21 VAL 92 HG21 VAL 92 -8.269 -6.441 -6.465 780 HG22 VAL 92 HG22 VAL 92 -9.372 -5.687 -7.587 781 HG23 VAL 92 HG23 VAL 92 -7.911 -4.836 -7.102 782 H THR 93 HN THR 93 -9.021 -1.969 -3.750 783 HA THR 93 HA THR 93 -11.387 -2.337 -2.188 784 HB THR 93 HB THR 93 -9.752 -3.036 -0.448 785 HG1 THR 93 HG1 THR 93 -11.509 -1.999 0.333 786 HG21 THR 93 HG21 THR 93 -7.730 -1.738 -1.140 787 HG22 THR 93 HG22 THR 93 -8.127 -1.504 0.552 788 HG23 THR 93 HG23 THR 93 -8.519 -0.247 -0.613 789 H THR 94 HN THR 94 -11.997 -0.122 -1.096 790 HA THR 94 HA THR 94 -10.794 2.232 -2.343 791 HB THR 94 HB THR 94 -13.824 1.748 -2.477 792 HG1 THR 94 HG1 THR 94 -12.657 0.556 -4.008 793 HG21 THR 94 HG21 THR 94 -12.149 4.072 -3.582 794 HG22 THR 94 HG22 THR 94 -13.325 4.196 -2.277 795 HG23 THR 94 HG23 THR 94 -13.859 3.817 -3.901 796 H PHE 95 HN PHE 95 -10.819 3.991 -0.973 797 HA PHE 95 HA PHE 95 -12.555 4.127 1.375 798 HB2 PHE 95 HB2 PHE 95 -10.602 4.226 2.940 799 HB3 PHE 95 HB3 PHE 95 -10.864 2.649 2.272 800 HD1 PHE 95 HD1 PHE 95 -9.244 1.696 0.616 801 HD2 PHE 95 HD2 PHE 95 -8.593 5.575 2.388 802 HE1 PHE 95 HE1 PHE 95 -6.918 1.679 -0.152 803 HE2 PHE 95 HE2 PHE 95 -6.278 5.548 1.550 804 HZ PHE 95 HZ PHE 95 -5.441 3.611 0.278 805 H LYS 96 HN LYS 96 -13.097 6.234 1.673 806 HA LYS 96 HA LYS 96 -13.233 8.436 1.401 807 HB2 LYS 96 HB2 LYS 96 -10.180 8.403 1.708 808 HB3 LYS 96 HB3 LYS 96 -11.205 9.799 1.844 809 HG2 LYS 96 HG2 LYS 96 -12.365 7.991 3.653 810 HG3 LYS 96 HG3 LYS 96 -10.659 7.719 3.848 811 HD2 LYS 96 HD2 LYS 96 -12.107 10.403 4.066 812 HD3 LYS 96 HD3 LYS 96 -11.562 9.441 5.406 813 HE2 LYS 96 HE2 LYS 96 -9.192 9.818 4.809 814 HE3 LYS 96 HE3 LYS 96 -9.648 10.666 3.343 815 HZ1 LYS 96 HZ1 LYS 96 -9.129 12.155 5.106 816 HZ2 LYS 96 HZ2 LYS 96 -10.310 11.515 6.064 817 HZ3 LYS 96 HZ3 LYS 96 -10.715 12.318 4.683 818 H ASN 97 HN ASN 97 -13.284 7.058 -1.052 819 HA ASN 97 HA ASN 97 -13.289 7.301 -3.265 820 HB2 ASN 97 HB2 ASN 97 -13.785 9.825 -2.611 821 HB3 ASN 97 HB3 ASN 97 -12.141 10.141 -3.100 822 HD21 ASN 97 HD21 ASN 97 -12.941 11.547 -4.774 823 HD22 ASN 97 HD22 ASN 97 -13.725 10.927 -6.202 824 H ILE 98 HN ILE 98 -10.519 7.062 -1.532 825 HA ILE 98 HA ILE 98 -8.666 7.020 -3.824 826 HB ILE 98 HB ILE 98 -8.186 6.149 -0.936 827 HG12 ILE 98 HG12 ILE 98 -7.118 8.725 -2.056 828 HG13 ILE 98 HG13 ILE 98 -8.709 8.709 -1.352 829 HG21 ILE 98 HG21 ILE 98 -5.779 6.328 -1.496 830 HG22 ILE 98 HG22 ILE 98 -6.578 5.081 -2.415 831 HG23 ILE 98 HG23 ILE 98 -6.207 6.621 -3.180 832 HD11 ILE 98 HD11 ILE 98 -6.119 8.049 0.096 833 HD12 ILE 98 HD12 ILE 98 -7.255 9.351 0.419 834 HD13 ILE 98 HD13 ILE 98 -7.709 7.692 0.775 835 H LYS 99 HN LYS 99 -9.277 5.373 -5.143 836 HA LYS 99 HA LYS 99 -9.912 2.651 -4.376 837 HB2 LYS 99 HB2 LYS 99 -10.354 3.908 -6.613 838 HB3 LYS 99 HB3 LYS 99 -8.657 3.739 -6.918 839 HG2 LYS 99 HG2 LYS 99 -9.190 1.805 -7.979 840 HG3 LYS 99 HG3 LYS 99 -9.290 1.103 -6.403 841 HD2 LYS 99 HD2 LYS 99 -11.350 0.452 -7.142 842 HD3 LYS 99 HD3 LYS 99 -11.816 1.988 -6.480 843 HE2 LYS 99 HE2 LYS 99 -11.192 1.516 -9.434 844 HE3 LYS 99 HE3 LYS 99 -12.796 1.592 -8.735 845 HZ1 LYS 99 HZ1 LYS 99 -12.184 3.654 -9.702 846 HZ2 LYS 99 HZ2 LYS 99 -10.853 3.783 -8.736 847 HZ3 LYS 99 HZ3 LYS 99 -12.363 3.840 -8.073 848 H SER 100 HN SER 100 -8.402 0.899 -4.262 849 HA SER 100 HA SER 100 -5.508 1.485 -4.536 850 HB2 SER 100 HB2 SER 100 -6.075 1.742 -2.145 851 HB3 SER 100 HB3 SER 100 -6.862 0.182 -2.131 852 HG SER 100 HG SER 100 -4.728 0.102 -1.330 853 H VAL 101 HN VAL 101 -4.363 -0.134 -5.384 854 HA VAL 101 HA VAL 101 -5.465 -2.852 -5.505 855 HB VAL 101 HB VAL 101 -4.292 -1.380 -7.917 856 HG11 VAL 101 HG11 VAL 101 -4.669 -3.515 -9.188 857 HG12 VAL 101 HG12 VAL 101 -3.422 -3.685 -7.977 858 HG13 VAL 101 HG13 VAL 101 -5.029 -4.335 -7.674 859 HG21 VAL 101 HG21 VAL 101 -6.658 -0.818 -7.691 860 HG22 VAL 101 HG22 VAL 101 -6.463 -1.918 -9.039 861 HG23 VAL 101 HG23 VAL 101 -7.089 -2.516 -7.506 862 H THR 102 HN THR 102 -3.970 -4.092 -4.530 863 HA THR 102 HA THR 102 -1.075 -3.377 -4.708 864 HB THR 102 HB THR 102 -2.297 -5.540 -2.935 865 HG1 THR 102 HG1 THR 102 -3.102 -3.489 -2.356 866 HG21 THR 102 HG21 THR 102 0.138 -5.817 -3.238 867 HG22 THR 102 HG22 THR 102 -0.201 -5.263 -1.617 868 HG23 THR 102 HG23 THR 102 0.406 -4.132 -2.817 869 H GLU 103 HN GLU 103 0.358 -4.965 -5.600 870 HA GLU 103 HA GLU 103 -0.768 -7.521 -6.512 871 HB2 GLU 103 HB2 GLU 103 -1.170 -6.053 -8.410 872 HB3 GLU 103 HB3 GLU 103 0.479 -5.506 -8.414 873 HG2 GLU 103 HG2 GLU 103 1.286 -7.799 -8.975 874 HG3 GLU 103 HG3 GLU 103 -0.344 -8.420 -8.899 875 H LEU 104 HN LEU 104 0.457 -9.016 -5.761 876 HA LEU 104 HA LEU 104 3.307 -8.678 -5.155 877 HB2 LEU 104 HB2 LEU 104 1.949 -9.865 -3.538 878 HB3 LEU 104 HB3 LEU 104 1.174 -10.799 -4.771 879 HG LEU 104 HG LEU 104 3.426 -11.975 -5.194 880 HD11 LEU 104 HD11 LEU 104 4.130 -10.601 -2.564 881 HD12 LEU 104 HD12 LEU 104 4.966 -10.400 -4.109 882 HD13 LEU 104 HD13 LEU 104 5.012 -11.943 -3.262 883 HD21 LEU 104 HD21 LEU 104 2.111 -13.468 -4.167 884 HD22 LEU 104 HD22 LEU 104 1.518 -12.340 -2.958 885 HD23 LEU 104 HD23 LEU 104 3.071 -13.133 -2.739 886 H ASN 105 HN ASN 105 4.890 -9.230 -6.519 887 HA ASN 105 HA ASN 105 4.444 -11.184 -8.700 888 HB2 ASN 105 HB2 ASN 105 5.745 -8.400 -8.895 889 HB3 ASN 105 HB3 ASN 105 6.135 -9.675 -10.017 890 HD21 ASN 105 HD21 ASN 105 2.810 -10.093 -9.444 891 HD22 ASN 105 HD22 ASN 105 2.263 -9.125 -10.795 892 H GLY 106 HN GLY 106 5.312 -12.495 -6.819 893 HA2 GLY 106 HA2 GLY 106 7.004 -13.738 -5.928 894 HA3 GLY 106 HA1 GLY 106 8.094 -13.069 -7.131 895 H ASP 107 HN ASP 107 9.701 -11.745 -6.358 896 HA ASP 107 HA ASP 107 9.757 -10.874 -3.593 897 HB2 ASP 107 HB2 ASP 107 11.876 -10.245 -5.682 898 HB3 ASP 107 HB3 ASP 107 12.037 -10.217 -3.967 899 H ILE 108 HN ILE 108 8.218 -9.448 -6.196 900 HA ILE 108 HA ILE 108 8.823 -6.655 -5.323 901 HB ILE 108 HB ILE 108 7.686 -7.791 -7.915 902 HG12 ILE 108 HG12 ILE 108 9.621 -6.442 -8.921 903 HG13 ILE 108 HG13 ILE 108 10.247 -6.270 -7.316 904 HG21 ILE 108 HG21 ILE 108 7.571 -5.453 -8.792 905 HG22 ILE 108 HG22 ILE 108 6.404 -5.727 -7.533 906 HG23 ILE 108 HG23 ILE 108 7.887 -4.837 -7.177 907 HD11 ILE 108 HD11 ILE 108 11.008 -8.247 -9.008 908 HD12 ILE 108 HD12 ILE 108 10.969 -8.524 -7.273 909 HD13 ILE 108 HD13 ILE 108 9.648 -9.090 -8.291 910 H ILE 109 HN ILE 109 7.154 -5.311 -4.694 911 HA ILE 109 HA ILE 109 4.341 -6.292 -4.790 912 HB ILE 109 HB ILE 109 5.640 -4.691 -2.540 913 HG12 ILE 109 HG12 ILE 109 6.091 -7.094 -2.308 914 HG13 ILE 109 HG13 ILE 109 5.205 -6.379 -1.002 915 HG21 ILE 109 HG21 ILE 109 2.683 -5.325 -2.927 916 HG22 ILE 109 HG22 ILE 109 3.382 -4.710 -1.428 917 HG23 ILE 109 HG23 ILE 109 3.426 -3.738 -2.876 918 HD11 ILE 109 HD11 ILE 109 3.052 -7.386 -1.946 919 HD12 ILE 109 HD12 ILE 109 4.054 -8.197 -3.150 920 HD13 ILE 109 HD13 ILE 109 4.255 -8.555 -1.442 921 H THR 110 HN THR 110 3.342 -4.967 -6.236 922 HA THR 110 HA THR 110 4.120 -2.094 -6.464 923 HB THR 110 HB THR 110 2.241 -3.866 -8.105 924 HG1 THR 110 HG1 THR 110 4.412 -4.180 -8.494 925 HG21 THR 110 HG21 THR 110 2.895 -0.898 -8.542 926 HG22 THR 110 HG22 THR 110 1.297 -1.561 -8.197 927 HG23 THR 110 HG23 THR 110 2.091 -1.938 -9.711 928 H ASN 111 HN ASN 111 2.709 -0.497 -5.772 929 HA ASN 111 HA ASN 111 0.046 -1.234 -4.724 930 HB2 ASN 111 HB2 ASN 111 2.271 0.285 -3.274 931 HB3 ASN 111 HB3 ASN 111 0.619 0.747 -2.990 932 HD21 ASN 111 HD21 ASN 111 -0.968 -0.810 -2.207 933 HD22 ASN 111 HD22 ASN 111 -0.417 -2.116 -1.198 934 H THR 112 HN THR 112 -1.133 -0.341 -6.348 935 HA THR 112 HA THR 112 -0.567 2.415 -7.327 936 HB THR 112 HB THR 112 -2.372 0.195 -8.411 937 HG1 THR 112 HG1 THR 112 -0.180 -0.190 -8.675 938 HG21 THR 112 HG21 THR 112 -3.288 2.427 -9.129 939 HG22 THR 112 HG22 THR 112 -2.564 1.575 -10.475 940 HG23 THR 112 HG23 THR 112 -1.690 2.891 -9.711 941 H MET 113 HN MET 113 -2.104 4.027 -7.094 942 HA MET 113 HA MET 113 -4.644 3.398 -5.700 943 HB2 MET 113 HB2 MET 113 -2.932 5.881 -5.202 944 HB3 MET 113 HB3 MET 113 -4.452 5.530 -4.466 945 HG2 MET 113 HG2 MET 113 -2.002 3.767 -3.985 946 HG3 MET 113 HG3 MET 113 -2.361 5.194 -3.053 947 HE1 MET 113 HE1 MET 113 -2.361 4.062 -0.759 948 HE2 MET 113 HE2 MET 113 -3.200 2.540 -0.424 949 HE3 MET 113 HE3 MET 113 -1.861 2.572 -1.581 950 H THR 114 HN THR 114 -6.404 4.837 -6.273 951 HA THR 114 HA THR 114 -5.856 6.860 -8.347 952 HB THR 114 HB THR 114 -8.164 4.868 -8.634 953 HG1 THR 114 HG1 THR 114 -5.896 5.189 -10.262 954 HG21 THR 114 HG21 THR 114 -8.547 5.942 -10.841 955 HG22 THR 114 HG22 THR 114 -7.338 7.163 -10.472 956 HG23 THR 114 HG23 THR 114 -8.827 7.082 -9.540 957 H LEU 115 HN LEU 115 -6.654 8.758 -7.668 958 HA LEU 115 HA LEU 115 -9.173 8.823 -6.075 959 HB2 LEU 115 HB2 LEU 115 -6.953 9.194 -4.731 960 HB3 LEU 115 HB3 LEU 115 -6.824 10.704 -5.564 961 HG LEU 115 HG LEU 115 -8.983 9.753 -3.653 962 HD11 LEU 115 HD11 LEU 115 -7.687 12.374 -3.125 963 HD12 LEU 115 HD12 LEU 115 -6.569 11.024 -3.109 964 HD13 LEU 115 HD13 LEU 115 -7.972 11.017 -2.049 965 HD21 LEU 115 HD21 LEU 115 -10.403 10.968 -5.061 966 HD22 LEU 115 HD22 LEU 115 -9.183 12.191 -5.440 967 HD23 LEU 115 HD23 LEU 115 -9.951 12.166 -3.865 968 H GLY 116 HN GLY 116 -10.502 9.450 -7.703 969 HA2 GLY 116 HA2 GLY 116 -11.504 10.823 -9.233 970 HA3 GLY 116 HA1 GLY 116 -10.399 12.111 -8.779 971 H ASP 117 HN ASP 117 -9.126 12.774 -10.454 972 HA ASP 117 HA ASP 117 -8.627 11.094 -12.791 973 HB2 ASP 117 HB2 ASP 117 -9.260 13.633 -12.817 974 HB3 ASP 117 HB3 ASP 117 -7.631 13.923 -12.255 975 H ILE 118 HN ILE 118 -6.948 11.841 -9.807 976 HA ILE 118 HA ILE 118 -4.247 11.629 -10.810 977 HB ILE 118 HB ILE 118 -5.239 11.124 -7.957 978 HG12 ILE 118 HG12 ILE 118 -6.097 13.275 -8.467 979 HG13 ILE 118 HG13 ILE 118 -4.737 13.468 -7.418 980 HG21 ILE 118 HG21 ILE 118 -2.954 11.897 -7.298 981 HG22 ILE 118 HG22 ILE 118 -2.931 10.382 -8.168 982 HG23 ILE 118 HG23 ILE 118 -2.467 11.872 -8.982 983 HD11 ILE 118 HD11 ILE 118 -4.225 15.132 -8.960 984 HD12 ILE 118 HD12 ILE 118 -3.456 13.817 -9.839 985 HD13 ILE 118 HD13 ILE 118 -5.081 14.331 -10.274 986 H VAL 119 HN VAL 119 -3.060 9.797 -11.196 987 HA VAL 119 HA VAL 119 -3.949 7.190 -10.031 988 HB VAL 119 HB VAL 119 -2.710 7.648 -12.780 989 HG11 VAL 119 HG11 VAL 119 -3.435 5.030 -11.369 990 HG12 VAL 119 HG12 VAL 119 -3.018 5.162 -13.072 991 HG13 VAL 119 HG13 VAL 119 -1.819 5.530 -11.855 992 HG21 VAL 119 HG21 VAL 119 -5.496 6.646 -12.045 993 HG22 VAL 119 HG22 VAL 119 -5.115 8.183 -12.818 994 HG23 VAL 119 HG23 VAL 119 -4.819 6.680 -13.670 995 H PHE 120 HN PHE 120 -2.646 7.307 -8.295 996 HA PHE 120 HA PHE 120 0.216 7.914 -8.491 997 HB2 PHE 120 HB2 PHE 120 -0.974 8.808 -6.679 998 HB3 PHE 120 HB3 PHE 120 -1.744 7.324 -6.252 999 HD1 PHE 120 HD1 PHE 120 1.635 8.933 -6.492 1000 HD2 PHE 120 HD2 PHE 120 -0.769 5.971 -4.507 1001 HE1 PHE 120 HE1 PHE 120 3.452 8.504 -4.895 1002 HE2 PHE 120 HE2 PHE 120 1.016 5.654 -2.846 1003 HZ PHE 120 HZ PHE 120 3.117 6.944 -3.027 1004 H LYS 121 HN LYS 121 1.882 6.444 -7.966 1005 HA LYS 121 HA LYS 121 1.192 3.582 -7.720 1006 HB2 LYS 121 HB2 LYS 121 1.620 4.338 -10.221 1007 HB3 LYS 121 HB3 LYS 121 3.270 4.541 -9.721 1008 HG2 LYS 121 HG2 LYS 121 2.735 1.948 -8.809 1009 HG3 LYS 121 HG3 LYS 121 1.626 2.053 -10.130 1010 HD2 LYS 121 HD2 LYS 121 4.634 2.499 -10.244 1011 HD3 LYS 121 HD3 LYS 121 3.815 1.070 -10.793 1012 HE2 LYS 121 HE2 LYS 121 3.552 3.866 -12.042 1013 HE3 LYS 121 HE3 LYS 121 4.511 2.548 -12.674 1014 HZ1 LYS 121 HZ1 LYS 121 2.429 2.706 -13.767 1015 HZ2 LYS 121 HZ2 LYS 121 1.601 2.507 -12.353 1016 HZ3 LYS 121 HZ3 LYS 121 2.519 1.274 -12.953 1017 H ARG 122 HN ARG 122 2.697 2.387 -6.662 1018 HA ARG 122 HA ARG 122 5.338 3.500 -6.037 1019 HB2 ARG 122 HB2 ARG 122 3.608 2.042 -3.958 1020 HB3 ARG 122 HB3 ARG 122 5.284 2.498 -3.795 1021 HG2 ARG 122 HG2 ARG 122 4.484 4.968 -4.151 1022 HG3 ARG 122 HG3 ARG 122 2.888 4.302 -3.947 1023 HD2 ARG 122 HD2 ARG 122 5.049 3.831 -1.867 1024 HD3 ARG 122 HD3 ARG 122 4.174 5.315 -1.848 1025 HE ARG 122 HE ARG 122 2.165 4.037 -1.355 1026 HH11 ARG 122 HH11 ARG 122 5.073 1.960 -1.355 1027 HH12 ARG 122 HH12 ARG 122 4.329 0.746 -0.349 1028 HH21 ARG 122 HH21 ARG 122 1.264 2.457 -0.007 1029 HH22 ARG 122 HH22 ARG 122 2.156 1.010 0.369 1030 H ILE 123 HN ILE 123 6.925 1.938 -5.989 1031 HA ILE 123 HA ILE 123 6.173 -0.919 -6.409 1032 HB ILE 123 HB ILE 123 8.648 0.469 -7.567 1033 HG12 ILE 123 HG12 ILE 123 7.402 -0.439 -9.797 1034 HG13 ILE 123 HG13 ILE 123 5.981 -0.145 -8.852 1035 HG21 ILE 123 HG21 ILE 123 9.093 -1.899 -7.009 1036 HG22 ILE 123 HG22 ILE 123 7.650 -2.398 -7.890 1037 HG23 ILE 123 HG23 ILE 123 9.026 -1.700 -8.739 1038 HD11 ILE 123 HD11 ILE 123 6.490 2.253 -8.738 1039 HD12 ILE 123 HD12 ILE 123 8.158 1.992 -9.235 1040 HD13 ILE 123 HD13 ILE 123 6.859 1.765 -10.388 1041 H SER 124 HN SER 124 7.111 -2.217 -4.941 1042 HA SER 124 HA SER 124 9.393 -1.288 -3.286 1043 HB2 SER 124 HB2 SER 124 6.870 -2.783 -2.355 1044 HB3 SER 124 HB3 SER 124 8.300 -2.510 -1.375 1045 HG SER 124 HG SER 124 6.620 -0.532 -2.467 1046 H LYS 125 HN LYS 125 10.738 -3.094 -2.535 1047 HA LYS 125 HA LYS 125 10.294 -5.714 -3.794 1048 HB2 LYS 125 HB2 LYS 125 11.654 -4.219 -5.384 1049 HB3 LYS 125 HB3 LYS 125 12.927 -4.216 -4.188 1050 HG2 LYS 125 HG2 LYS 125 13.004 -6.763 -4.397 1051 HG3 LYS 125 HG3 LYS 125 11.751 -6.656 -5.603 1052 HD2 LYS 125 HD2 LYS 125 13.464 -4.978 -6.804 1053 HD3 LYS 125 HD3 LYS 125 14.635 -5.733 -5.764 1054 HE2 LYS 125 HE2 LYS 125 12.914 -7.112 -7.875 1055 HE3 LYS 125 HE3 LYS 125 14.645 -6.872 -7.927 1056 HZ1 LYS 125 HZ1 LYS 125 14.078 -9.086 -7.283 1057 HZ2 LYS 125 HZ2 LYS 125 13.215 -8.548 -5.986 1058 HZ3 LYS 125 HZ3 LYS 125 14.848 -8.330 -6.037 1059 H ARG 126 HN ARG 126 11.308 -7.381 -2.801 1060 HA ARG 126 HA ARG 126 11.174 -7.339 -0.101 1061 HB2 ARG 126 HB2 ARG 126 10.886 -9.256 -1.712 1062 HB3 ARG 126 HB3 ARG 126 12.622 -9.394 -1.807 1063 HG2 ARG 126 HG2 ARG 126 12.606 -9.877 0.758 1064 HG3 ARG 126 HG3 ARG 126 10.873 -9.758 0.647 1065 HD2 ARG 126 HD2 ARG 126 12.404 -11.692 -1.092 1066 HD3 ARG 126 HD3 ARG 126 11.974 -12.166 0.531 1067 HE ARG 126 HE ARG 126 9.646 -11.203 -0.802 1068 HH11 ARG 126 HH11 ARG 126 11.975 -13.859 -1.225 1069 HH12 ARG 126 HH12 ARG 126 10.827 -14.909 -2.008 1070 HH21 ARG 126 HH21 ARG 126 8.205 -12.541 -2.006 1071 HH22 ARG 126 HH22 ARG 126 8.680 -14.156 -2.435 1072 H ILE 127 HN ILE 127 12.427 -7.274 1.645 1073 HA ILE 127 HA ILE 127 15.397 -7.212 1.470 1074 HB ILE 127 HB ILE 127 15.431 -5.462 3.211 1075 HG12 ILE 127 HG12 ILE 127 12.481 -4.967 2.663 1076 HG13 ILE 127 HG13 ILE 127 13.061 -5.773 4.084 1077 HG21 ILE 127 HG21 ILE 127 14.048 -4.414 0.709 1078 HG22 ILE 127 HG22 ILE 127 15.166 -3.546 1.759 1079 HG23 ILE 127 HG23 ILE 127 15.741 -4.886 0.792 1080 HD11 ILE 127 HD11 ILE 127 14.553 -3.366 4.088 1081 HD12 ILE 127 HD12 ILE 127 12.946 -2.895 3.541 1082 HD13 ILE 127 HD13 ILE 127 13.146 -3.727 5.072 Start of MODEL 7 1 H1 HIS -7 HN HIS -7 5.711 -18.623 14.777 2 HA HIS -7 HA HIS -7 3.282 -19.381 16.065 3 HB2 HIS -7 HB2 HIS -7 3.521 -18.477 13.063 4 HB3 HIS -7 HB3 HIS -7 2.053 -19.082 13.790 5 HD1 HIS -7 HD1 HIS -7 1.757 -17.280 16.283 6 HD2 HIS -7 HD2 HIS -7 2.860 -15.821 12.475 7 HE1 HIS -7 HE1 HIS -7 1.200 -14.817 16.176 8 H HIS -6 HN HIS -6 3.022 -20.753 13.224 9 HA HIS -6 HA HIS -6 5.135 -22.804 13.536 10 HB2 HIS -6 HB2 HIS -6 2.114 -23.209 13.679 11 HB3 HIS -6 HB3 HIS -6 3.069 -24.387 12.838 12 HD1 HIS -6 HD1 HIS -6 4.386 -22.858 16.064 13 HD2 HIS -6 HD2 HIS -6 2.688 -26.464 14.684 14 HE1 HIS -6 HE1 HIS -6 4.591 -24.595 17.897 15 H HIS -5 HN HIS -5 5.783 -23.666 11.605 16 HA HIS -5 HA HIS -5 4.537 -22.666 9.075 17 HB2 HIS -5 HB2 HIS -5 7.499 -23.165 9.688 18 HB3 HIS -5 HB3 HIS -5 6.846 -22.711 8.137 19 HD1 HIS -5 HD1 HIS -5 9.038 -21.079 9.657 20 HD2 HIS -5 HD2 HIS -5 4.938 -20.087 9.648 21 HE1 HIS -5 HE1 HIS -5 8.810 -18.619 10.192 22 H HIS -4 HN HIS -4 4.183 -24.230 7.540 23 HA HIS -4 HA HIS -4 5.311 -26.942 7.865 24 HB2 HIS -4 HB2 HIS -4 2.305 -26.404 7.672 25 HB3 HIS -4 HB3 HIS -4 3.051 -27.971 7.550 26 HD1 HIS -4 HD1 HIS -4 1.646 -25.633 9.998 27 HD2 HIS -4 HD2 HIS -4 4.309 -28.905 10.127 28 HE1 HIS -4 HE1 HIS -4 1.800 -26.443 12.387 29 H HIS -3 HN HIS -3 3.671 -24.509 5.824 30 HA HIS -3 HA HIS -3 3.536 -26.197 3.521 31 HB2 HIS -3 HB2 HIS -3 2.686 -24.213 2.399 32 HB3 HIS -3 HB3 HIS -3 1.920 -24.423 3.935 33 HD1 HIS -3 HD1 HIS -3 4.874 -22.324 2.562 34 HD2 HIS -3 HD2 HIS -3 1.701 -22.022 5.328 35 HE1 HIS -3 HE1 HIS -3 4.860 -19.986 3.498 36 H HIS -2 HN HIS -2 4.381 -25.566 1.402 37 HA HIS -2 HA HIS -2 7.192 -24.587 1.392 38 HB2 HIS -2 HB2 HIS -2 7.635 -26.526 -0.220 39 HB3 HIS -2 HB3 HIS -2 7.425 -26.938 1.452 40 HD1 HIS -2 HD1 HIS -2 5.234 -26.854 -1.715 41 HD2 HIS -2 HD2 HIS -2 5.613 -29.012 1.890 42 HE1 HIS -2 HE1 HIS -2 3.555 -28.751 -1.739 43 H VAL -1 HN VAL -1 4.352 -23.555 0.537 44 HA VAL -1 HA VAL -1 4.828 -22.935 -2.299 45 HB VAL -1 HB VAL -1 2.725 -21.701 -2.136 46 HG11 VAL -1 HG11 VAL -1 1.187 -23.571 -1.809 47 HG12 VAL -1 HG12 VAL -1 2.631 -24.104 -2.655 48 HG13 VAL -1 HG13 VAL -1 2.420 -24.485 -0.950 49 HG21 VAL -1 HG21 VAL -1 2.595 -22.411 0.826 50 HG22 VAL -1 HG22 VAL -1 2.720 -20.790 0.153 51 HG23 VAL -1 HG23 VAL -1 1.275 -21.739 -0.117 52 H ALA 0 HN ALA 0 4.920 -20.716 -3.058 53 HA ALA 0 HA ALA 0 6.089 -18.736 -1.166 54 HB1 ALA 0 HB1 ALA 0 7.357 -19.689 -3.786 55 HB2 ALA 0 HB2 ALA 0 7.977 -18.411 -2.741 56 HB3 ALA 0 HB3 ALA 0 7.941 -20.068 -2.168 57 H MET 1 HN MET 1 3.475 -18.557 -1.960 58 HA MET 1 HA MET 1 3.570 -16.043 -3.525 59 HB2 MET 1 HB2 MET 1 1.669 -18.379 -4.010 60 HB3 MET 1 HB3 MET 1 1.279 -16.773 -4.522 61 HG2 MET 1 HG2 MET 1 3.664 -18.385 -5.494 62 HG3 MET 1 HG3 MET 1 2.207 -18.044 -6.381 63 HE1 MET 1 HE1 MET 1 1.685 -14.855 -5.768 64 HE2 MET 1 HE2 MET 1 2.509 -14.207 -7.186 65 HE3 MET 1 HE3 MET 1 1.511 -15.659 -7.335 66 H SER 2 HN SER 2 3.758 -16.340 -0.757 67 HA SER 2 HA SER 2 1.161 -15.274 0.209 68 HB2 SER 2 HB2 SER 2 2.303 -16.970 1.623 69 HB3 SER 2 HB3 SER 2 3.741 -15.973 1.700 70 HG SER 2 HG SER 2 1.156 -15.369 2.698 71 H PHE 3 HN PHE 3 0.892 -13.165 0.652 72 HA PHE 3 HA PHE 3 2.631 -11.108 -0.322 73 HB2 PHE 3 HB2 PHE 3 0.134 -11.209 1.396 74 HB3 PHE 3 HB3 PHE 3 0.947 -9.702 1.130 75 HD1 PHE 3 HD1 PHE 3 0.824 -8.471 -0.934 76 HD2 PHE 3 HD2 PHE 3 -0.920 -12.410 -0.627 77 HE1 PHE 3 HE1 PHE 3 -0.455 -8.090 -3.007 78 HE2 PHE 3 HE2 PHE 3 -2.168 -11.994 -2.710 79 HZ PHE 3 HZ PHE 3 -1.974 -9.822 -3.860 80 H SER 4 HN SER 4 2.691 -12.885 2.672 81 HA SER 4 HA SER 4 3.565 -10.925 4.448 82 HB2 SER 4 HB2 SER 4 4.190 -12.768 5.892 83 HB3 SER 4 HB3 SER 4 2.680 -13.141 5.100 84 HG SER 4 HG SER 4 3.713 -14.577 3.789 85 H GLY 5 HN GLY 5 5.476 -9.932 4.889 86 HA2 GLY 5 HA2 GLY 5 8.073 -10.644 4.685 87 HA3 GLY 5 HA1 GLY 5 7.710 -10.271 3.001 88 H LYS 6 HN LYS 6 9.490 -8.653 3.683 89 HA LYS 6 HA LYS 6 8.270 -6.052 4.463 90 HB2 LYS 6 HB2 LYS 6 9.536 -7.173 6.332 91 HB3 LYS 6 HB3 LYS 6 10.984 -7.148 5.362 92 HG2 LYS 6 HG2 LYS 6 10.942 -4.651 5.368 93 HG3 LYS 6 HG3 LYS 6 9.387 -4.669 6.156 94 HD2 LYS 6 HD2 LYS 6 10.517 -5.980 8.095 95 HD3 LYS 6 HD3 LYS 6 12.035 -5.666 7.310 96 HE2 LYS 6 HE2 LYS 6 11.662 -4.057 9.115 97 HE3 LYS 6 HE3 LYS 6 11.705 -3.205 7.587 98 HZ1 LYS 6 HZ1 LYS 6 9.246 -4.058 8.968 99 HZ2 LYS 6 HZ2 LYS 6 9.328 -3.130 7.615 100 HZ3 LYS 6 HZ3 LYS 6 9.892 -2.533 9.046 101 H TYR 7 HN TYR 7 8.820 -4.382 3.141 102 HA TYR 7 HA TYR 7 10.535 -4.981 0.780 103 HB2 TYR 7 HB2 TYR 7 7.702 -3.818 0.694 104 HB3 TYR 7 HB3 TYR 7 8.688 -4.311 -0.654 105 HD1 TYR 7 HD1 TYR 7 8.842 -6.670 -1.302 106 HD2 TYR 7 HD2 TYR 7 6.459 -5.435 2.075 107 HE1 TYR 7 HE1 TYR 7 7.764 -8.901 -1.245 108 HE2 TYR 7 HE2 TYR 7 5.368 -7.659 2.113 109 HH TYR 7 HH TYR 7 5.190 -9.734 1.070 110 H GLN 8 HN GLN 8 11.987 -3.344 0.477 111 HA GLN 8 HA GLN 8 11.565 -0.668 1.581 112 HB2 GLN 8 HB2 GLN 8 13.809 -1.790 1.450 113 HB3 GLN 8 HB3 GLN 8 13.697 -1.779 -0.286 114 HG2 GLN 8 HG2 GLN 8 13.397 0.927 0.155 115 HG3 GLN 8 HG3 GLN 8 14.182 0.515 1.642 116 HE21 GLN 8 HE21 GLN 8 14.612 1.366 -1.613 117 HE22 GLN 8 HE22 GLN 8 16.301 0.949 -1.776 118 H LEU 9 HN LEU 9 10.992 1.166 0.444 119 HA LEU 9 HA LEU 9 9.594 1.119 -2.013 120 HB2 LEU 9 HB2 LEU 9 9.306 2.815 -0.209 121 HB3 LEU 9 HB3 LEU 9 10.938 3.374 -0.450 122 HG LEU 9 HG LEU 9 10.364 4.180 -2.721 123 HD11 LEU 9 HD11 LEU 9 7.628 4.310 -2.977 124 HD12 LEU 9 HD12 LEU 9 7.811 2.722 -2.234 125 HD13 LEU 9 HD13 LEU 9 8.643 3.100 -3.731 126 HD21 LEU 9 HD21 LEU 9 8.251 5.596 -1.234 127 HD22 LEU 9 HD22 LEU 9 9.774 6.178 -1.894 128 HD23 LEU 9 HD23 LEU 9 9.729 5.415 -0.315 129 H GLN 10 HN GLN 10 10.244 1.196 -4.070 130 HA GLN 10 HA GLN 10 13.113 1.697 -4.736 131 HB2 GLN 10 HB2 GLN 10 10.943 0.227 -6.319 132 HB3 GLN 10 HB3 GLN 10 12.607 0.403 -6.781 133 HG2 GLN 10 HG2 GLN 10 11.527 -1.220 -4.433 134 HG3 GLN 10 HG3 GLN 10 12.221 -1.838 -5.906 135 HE21 GLN 10 HE21 GLN 10 12.903 -1.501 -2.719 136 HE22 GLN 10 HE22 GLN 10 14.640 -1.358 -2.790 137 H SER 11 HN SER 11 9.721 2.330 -5.819 138 HA SER 11 HA SER 11 10.408 4.970 -6.799 139 HB2 SER 11 HB2 SER 11 11.242 3.485 -8.663 140 HB3 SER 11 HB3 SER 11 9.664 2.743 -8.782 141 HG SER 11 HG SER 11 10.016 4.406 -10.308 142 H GLN 12 HN GLN 12 8.482 6.029 -7.783 143 HA GLN 12 HA GLN 12 5.874 4.990 -7.377 144 HB2 GLN 12 HB2 GLN 12 5.172 6.671 -5.612 145 HB3 GLN 12 HB3 GLN 12 6.163 5.366 -5.038 146 HG2 GLN 12 HG2 GLN 12 8.179 6.942 -5.114 147 HG3 GLN 12 HG3 GLN 12 7.097 8.237 -5.577 148 HE21 GLN 12 HE21 GLN 12 8.501 8.782 -3.417 149 HE22 GLN 12 HE22 GLN 12 7.578 8.596 -1.949 150 H GLU 13 HN GLU 13 4.359 6.180 -8.478 151 HA GLU 13 HA GLU 13 5.382 8.473 -10.083 152 HB2 GLU 13 HB3 GLU 13 4.544 7.477 -11.898 153 HB3 GLU 13 HB2 GLU 13 4.544 6.025 -10.967 154 HG2 GLU 13 HG2 GLU 13 2.063 6.543 -10.377 155 HG3 GLU 13 HG3 GLU 13 2.150 7.843 -11.538 156 H ASN 14 HN ASN 14 4.254 10.358 -10.065 157 HA ASN 14 HA ASN 14 3.039 12.021 -9.331 158 HB2 ASN 14 HB2 ASN 14 0.775 9.947 -9.451 159 HB3 ASN 14 HB3 ASN 14 0.499 11.656 -9.306 160 HD21 ASN 14 HD21 ASN 14 0.249 9.398 -11.562 161 HD22 ASN 14 HD22 ASN 14 0.681 10.326 -12.975 162 H PHE 15 HN PHE 15 4.459 10.798 -7.202 163 HA PHE 15 HA PHE 15 2.916 10.450 -4.866 164 HB2 PHE 15 HB2 PHE 15 5.141 9.612 -4.910 165 HB3 PHE 15 HB3 PHE 15 5.834 11.155 -5.301 166 HD1 PHE 15 HD1 PHE 15 4.207 9.174 -2.573 167 HD2 PHE 15 HD2 PHE 15 6.310 12.818 -3.537 168 HE1 PHE 15 HE1 PHE 15 4.523 9.652 -0.181 169 HE2 PHE 15 HE2 PHE 15 6.549 13.284 -1.138 170 HZ PHE 15 HZ PHE 15 5.684 11.705 0.537 171 H GLU 16 HN GLU 16 4.600 13.426 -5.981 172 HA GLU 16 HA GLU 16 3.769 14.995 -3.789 173 HB2 GLU 16 HB2 GLU 16 4.673 15.859 -6.572 174 HB3 GLU 16 HB3 GLU 16 4.599 16.893 -5.171 175 HG2 GLU 16 HG2 GLU 16 6.306 15.428 -4.007 176 HG3 GLU 16 HG3 GLU 16 6.406 14.425 -5.431 177 H ALA 17 HN ALA 17 2.137 14.286 -6.849 178 HA ALA 17 HA ALA 17 0.106 16.335 -6.593 179 HB1 ALA 17 HB1 ALA 17 -0.923 15.118 -8.508 180 HB2 ALA 17 HB2 ALA 17 0.783 15.426 -8.799 181 HB3 ALA 17 HB3 ALA 17 0.249 13.816 -8.328 182 H PHE 18 HN PHE 18 0.356 12.851 -5.742 183 HA PHE 18 HA PHE 18 -2.397 12.598 -4.922 184 HB2 PHE 18 HB2 PHE 18 -1.151 10.744 -5.856 185 HB3 PHE 18 HB3 PHE 18 0.059 10.821 -4.615 186 HD1 PHE 18 HD1 PHE 18 -0.210 9.585 -2.567 187 HD2 PHE 18 HD2 PHE 18 -3.600 10.148 -5.179 188 HE1 PHE 18 HE1 PHE 18 -1.532 8.001 -1.223 189 HE2 PHE 18 HE2 PHE 18 -4.889 8.549 -3.818 190 HZ PHE 18 HZ PHE 18 -3.856 7.473 -1.855 191 H MET 19 HN MET 19 0.673 13.128 -3.187 192 HA MET 19 HA MET 19 -0.483 12.982 -0.590 193 HB2 MET 19 HB2 MET 19 1.985 12.656 -1.463 194 HB3 MET 19 HB3 MET 19 2.130 14.360 -1.270 195 HG2 MET 19 HG2 MET 19 2.982 13.150 0.679 196 HG3 MET 19 HG3 MET 19 1.596 14.081 1.172 197 HE1 MET 19 HE1 MET 19 0.593 10.778 -0.800 198 HE2 MET 19 HE2 MET 19 2.271 10.424 -0.373 199 HE3 MET 19 HE3 MET 19 0.953 9.529 0.393 200 H LYS 20 HN LYS 20 -0.155 15.577 -2.959 201 HA LYS 20 HA LYS 20 -0.996 17.745 -1.231 202 HB2 LYS 20 HB2 LYS 20 0.300 18.098 -3.318 203 HB3 LYS 20 HB3 LYS 20 -0.974 17.364 -4.247 204 HG2 LYS 20 HG2 LYS 20 -2.413 19.421 -3.139 205 HG3 LYS 20 HG3 LYS 20 -0.831 20.107 -3.025 206 HD2 LYS 20 HD2 LYS 20 -2.191 19.066 -5.559 207 HD3 LYS 20 HD3 LYS 20 -2.035 20.738 -5.117 208 HE2 LYS 20 HE2 LYS 20 0.327 18.887 -5.776 209 HE3 LYS 20 HE3 LYS 20 -0.397 20.040 -6.877 210 HZ1 LYS 20 HZ1 LYS 20 1.532 20.931 -5.847 211 HZ2 LYS 20 HZ2 LYS 20 0.895 20.729 -4.341 212 HZ3 LYS 20 HZ3 LYS 20 0.208 21.800 -5.388 213 H ALA 21 HN ALA 21 -2.627 15.451 -3.497 214 HA ALA 21 HA ALA 21 -5.169 16.650 -3.440 215 HB1 ALA 21 HB1 ALA 21 -5.914 14.499 -4.491 216 HB2 ALA 21 HB2 ALA 21 -4.461 15.140 -5.235 217 HB3 ALA 21 HB3 ALA 21 -4.355 13.780 -4.119 218 H ILE 22 HN ILE 22 -3.794 14.157 -1.269 219 HA ILE 22 HA ILE 22 -6.319 13.752 0.140 220 HB ILE 22 HB ILE 22 -5.014 12.418 1.702 221 HG12 ILE 22 HG12 ILE 22 -2.554 13.132 0.090 222 HG13 ILE 22 HG13 ILE 22 -2.858 13.705 1.694 223 HG21 ILE 22 HG21 ILE 22 -5.907 11.390 -0.368 224 HG22 ILE 22 HG22 ILE 22 -4.374 11.662 -1.180 225 HG23 ILE 22 HG23 ILE 22 -4.464 10.567 0.190 226 HD11 ILE 22 HD11 ILE 22 -3.079 10.983 2.119 227 HD12 ILE 22 HD12 ILE 22 -1.878 11.040 0.832 228 HD13 ILE 22 HD13 ILE 22 -1.604 11.912 2.337 229 H GLY 23 HN GLY 23 -3.874 16.188 0.242 230 HA2 GLY 23 HA2 GLY 23 -4.246 18.196 1.297 231 HA3 GLY 23 HA1 GLY 23 -5.315 17.468 2.468 232 H LEU 24 HN LEU 24 -2.111 15.914 2.021 233 HA LEU 24 HA LEU 24 -1.259 16.653 4.664 234 HB2 LEU 24 HB2 LEU 24 -0.240 14.922 2.462 235 HB3 LEU 24 HB3 LEU 24 1.036 15.802 3.233 236 HG LEU 24 HG LEU 24 0.228 14.994 5.466 237 HD11 LEU 24 HD11 LEU 24 -1.204 12.636 4.822 238 HD12 LEU 24 HD12 LEU 24 -1.948 13.894 3.858 239 HD13 LEU 24 HD13 LEU 24 -1.819 14.088 5.598 240 HD21 LEU 24 HD21 LEU 24 1.904 13.704 3.614 241 HD22 LEU 24 HD22 LEU 24 0.906 12.416 4.263 242 HD23 LEU 24 HD23 LEU 24 1.827 13.444 5.343 243 HA PRO 25 HA PRO 25 0.559 20.640 3.600 244 HB2 PRO 25 HB2 PRO 25 2.418 20.914 5.624 245 HB3 PRO 25 HB3 PRO 25 0.685 21.020 5.888 246 HG2 PRO 25 HG2 PRO 25 2.447 18.588 6.259 247 HG3 PRO 25 HG3 PRO 25 1.329 19.265 7.441 248 HD2 PRO 25 HD2 PRO 25 0.609 17.192 5.869 249 HD3 PRO 25 HD3 PRO 25 -0.576 18.472 6.174 250 H GLU 26 HN GLU 26 2.257 21.401 2.319 251 HA GLU 26 HA GLU 26 3.662 19.489 0.889 252 HB2 GLU 26 HB2 GLU 26 2.932 21.902 0.238 253 HB3 GLU 26 HB3 GLU 26 4.447 22.418 0.922 254 HG2 GLU 26 HG2 GLU 26 5.552 20.626 -0.688 255 HG3 GLU 26 HG3 GLU 26 3.999 20.545 -1.455 256 H GLU 27 HN GLU 27 4.730 21.100 3.837 257 HA GLU 27 HA GLU 27 7.517 20.624 3.588 258 HB2 GLU 27 HB2 GLU 27 6.529 22.200 5.156 259 HB3 GLU 27 HB3 GLU 27 5.715 20.925 6.017 260 HG2 GLU 27 HG2 GLU 27 7.862 20.001 6.824 261 HG3 GLU 27 HG3 GLU 27 8.763 21.094 5.795 262 H LEU 28 HN LEU 28 4.852 18.494 4.686 263 HA LEU 28 HA LEU 28 6.605 16.271 5.375 264 HB2 LEU 28 HB2 LEU 28 3.601 16.711 5.201 265 HB3 LEU 28 HB3 LEU 28 4.219 15.094 5.185 266 HG LEU 28 HG LEU 28 5.373 15.384 7.296 267 HD11 LEU 28 HD11 LEU 28 5.979 17.494 7.892 268 HD12 LEU 28 HD12 LEU 28 4.401 17.587 8.642 269 HD13 LEU 28 HD13 LEU 28 4.646 18.269 7.050 270 HD21 LEU 28 HD21 LEU 28 2.586 15.103 6.903 271 HD22 LEU 28 HD22 LEU 28 2.725 16.173 8.275 272 HD23 LEU 28 HD23 LEU 28 3.522 14.607 8.301 273 H ILE 29 HN ILE 29 5.157 17.493 2.396 274 HA ILE 29 HA ILE 29 5.411 14.996 0.929 275 HB ILE 29 HB ILE 29 5.089 17.847 -0.116 276 HG12 ILE 29 HG12 ILE 29 3.011 15.690 0.340 277 HG13 ILE 29 HG13 ILE 29 3.169 17.113 1.304 278 HG21 ILE 29 HG21 ILE 29 4.369 16.805 -2.258 279 HG22 ILE 29 HG22 ILE 29 6.021 16.406 -1.901 280 HG23 ILE 29 HG23 ILE 29 4.757 15.213 -1.612 281 HD11 ILE 29 HD11 ILE 29 2.805 18.407 -1.022 282 HD12 ILE 29 HD12 ILE 29 2.077 16.879 -1.497 283 HD13 ILE 29 HD13 ILE 29 1.439 17.764 -0.118 284 H GLN 30 HN GLN 30 7.287 18.100 1.071 285 HA GLN 30 HA GLN 30 9.328 17.216 -0.718 286 HB2 GLN 30 HB2 GLN 30 9.292 19.504 1.316 287 HB3 GLN 30 HB3 GLN 30 10.523 19.286 0.110 288 HG2 GLN 30 HG2 GLN 30 7.618 20.028 -0.364 289 HG3 GLN 30 HG3 GLN 30 9.020 20.992 -0.685 290 HE21 GLN 30 HE21 GLN 30 6.701 18.932 -2.065 291 HE22 GLN 30 HE22 GLN 30 7.533 18.533 -3.548 292 H LYS 31 HN LYS 31 8.943 16.703 2.726 293 HA LYS 31 HA LYS 31 11.733 15.771 3.037 294 HB2 LYS 31 HB2 LYS 31 9.388 16.025 4.965 295 HB3 LYS 31 HB3 LYS 31 10.940 15.364 5.408 296 HG2 LYS 31 HG2 LYS 31 12.091 17.466 4.937 297 HG3 LYS 31 HG3 LYS 31 10.671 18.169 4.234 298 HD2 LYS 31 HD2 LYS 31 10.839 19.133 6.382 299 HD3 LYS 31 HD3 LYS 31 9.508 18.019 6.476 300 HE2 LYS 31 HE2 LYS 31 10.940 16.335 7.634 301 HE3 LYS 31 HE3 LYS 31 12.326 17.404 7.492 302 HZ1 LYS 31 HZ1 LYS 31 11.152 19.017 8.808 303 HZ2 LYS 31 HZ2 LYS 31 11.291 17.586 9.617 304 HZ3 LYS 31 HZ3 LYS 31 9.850 18.018 8.940 305 H GLY 32 HN GLY 32 8.433 14.489 2.608 306 HA2 GLY 32 HA2 GLY 32 9.040 11.771 3.395 307 HA3 GLY 32 HA1 GLY 32 7.585 12.373 2.628 308 H LYS 33 HN LYS 33 9.227 13.584 0.303 309 HA LYS 33 HA LYS 33 9.306 11.271 -1.414 310 HB2 LYS 33 HB2 LYS 33 9.856 12.815 -3.147 311 HB3 LYS 33 HB3 LYS 33 8.632 13.563 -2.171 312 HG2 LYS 33 HG2 LYS 33 10.439 14.928 -1.040 313 HG3 LYS 33 HG3 LYS 33 11.631 14.193 -2.077 314 HD2 LYS 33 HD2 LYS 33 10.304 15.072 -4.084 315 HD3 LYS 33 HD3 LYS 33 9.367 16.008 -2.944 316 HE2 LYS 33 HE2 LYS 33 11.405 17.194 -2.156 317 HE3 LYS 33 HE3 LYS 33 12.418 16.181 -3.172 318 HZ1 LYS 33 HZ1 LYS 33 11.268 17.054 -5.091 319 HZ2 LYS 33 HZ2 LYS 33 12.005 18.245 -4.213 320 HZ3 LYS 33 HZ3 LYS 33 10.374 18.043 -4.119 321 H ASP 34 HN ASP 34 11.705 13.069 0.454 322 HA ASP 34 HA ASP 34 14.024 12.056 -0.921 323 HB2 ASP 34 HB2 ASP 34 13.930 14.321 0.171 324 HB3 ASP 34 HB3 ASP 34 13.768 13.595 1.718 325 H ILE 35 HN ILE 35 12.458 11.433 2.253 326 HA ILE 35 HA ILE 35 14.284 9.470 3.158 327 HB ILE 35 HB ILE 35 11.394 10.095 3.873 328 HG12 ILE 35 HG12 ILE 35 13.110 11.846 4.401 329 HG13 ILE 35 HG13 ILE 35 12.169 11.283 5.740 330 HG21 ILE 35 HG21 ILE 35 13.166 8.080 5.321 331 HG22 ILE 35 HG22 ILE 35 11.719 8.795 6.015 332 HG23 ILE 35 HG23 ILE 35 11.590 7.781 4.594 333 HD11 ILE 35 HD11 ILE 35 14.929 10.079 5.250 334 HD12 ILE 35 HD12 ILE 35 14.732 11.613 6.084 335 HD13 ILE 35 HD13 ILE 35 14.006 10.154 6.747 336 H LYS 36 HN LYS 36 14.641 7.499 2.413 337 HA LYS 36 HA LYS 36 12.982 6.088 0.561 338 HB2 LYS 36 HB2 LYS 36 15.372 5.263 2.284 339 HB3 LYS 36 HB3 LYS 36 14.623 4.192 1.135 340 HG2 LYS 36 HG2 LYS 36 15.903 6.857 0.384 341 HG3 LYS 36 HG3 LYS 36 16.682 5.303 0.284 342 HD2 LYS 36 HD2 LYS 36 14.829 4.548 -1.314 343 HD3 LYS 36 HD3 LYS 36 14.233 6.190 -1.311 344 HE2 LYS 36 HE2 LYS 36 16.422 7.017 -2.196 345 HE3 LYS 36 HE3 LYS 36 17.041 5.373 -2.207 346 HZ1 LYS 36 HZ1 LYS 36 15.304 4.789 -3.747 347 HZ2 LYS 36 HZ2 LYS 36 16.234 6.016 -4.338 348 HZ3 LYS 36 HZ3 LYS 36 14.731 6.335 -3.740 349 H GLY 37 HN GLY 37 11.014 5.475 1.138 350 HA2 GLY 37 HA2 GLY 37 10.174 4.811 3.789 351 HA3 GLY 37 HA1 GLY 37 9.257 4.612 2.303 352 H VAL 38 HN VAL 38 9.213 2.758 4.434 353 HA VAL 38 HA VAL 38 10.004 0.321 2.962 354 HB VAL 38 HB VAL 38 10.441 0.738 5.960 355 HG11 VAL 38 HG11 VAL 38 11.319 -1.634 5.945 356 HG12 VAL 38 HG12 VAL 38 9.590 -1.546 5.688 357 HG13 VAL 38 HG13 VAL 38 10.670 -1.836 4.325 358 HG21 VAL 38 HG21 VAL 38 12.336 1.649 4.690 359 HG22 VAL 38 HG22 VAL 38 12.823 0.168 5.488 360 HG23 VAL 38 HG23 VAL 38 12.477 0.157 3.762 361 H SER 39 HN SER 39 8.333 -0.907 2.690 362 HA SER 39 HA SER 39 5.874 -0.638 4.354 363 HB2 SER 39 HB2 SER 39 6.388 -1.616 1.489 364 HB3 SER 39 HB3 SER 39 4.888 -1.924 2.346 365 HG SER 39 HG SER 39 6.005 0.618 1.836 366 H GLU 40 HN GLU 40 4.843 -2.598 4.957 367 HA GLU 40 HA GLU 40 6.291 -5.129 4.843 368 HB2 GLU 40 HB2 GLU 40 7.263 -4.016 6.831 369 HB3 GLU 40 HB3 GLU 40 5.687 -3.631 7.439 370 HG2 GLU 40 HG2 GLU 40 5.213 -6.132 7.702 371 HG3 GLU 40 HG3 GLU 40 6.837 -6.458 7.134 372 H ILE 41 HN ILE 41 4.898 -6.811 4.835 373 HA ILE 41 HA ILE 41 2.011 -6.285 5.362 374 HB ILE 41 HB ILE 41 3.124 -7.979 3.095 375 HG12 ILE 41 HG12 ILE 41 1.800 -5.278 2.739 376 HG13 ILE 41 HG13 ILE 41 3.514 -5.527 2.625 377 HG21 ILE 41 HG21 ILE 41 0.650 -7.899 2.316 378 HG22 ILE 41 HG22 ILE 41 0.945 -8.842 3.760 379 HG23 ILE 41 HG23 ILE 41 0.271 -7.218 3.879 380 HD11 ILE 41 HD11 ILE 41 3.016 -5.677 0.389 381 HD12 ILE 41 HD12 ILE 41 2.877 -7.379 0.797 382 HD13 ILE 41 HD13 ILE 41 1.431 -6.387 0.645 383 H VAL 42 HN VAL 42 0.994 -8.002 6.365 384 HA VAL 42 HA VAL 42 2.515 -10.535 6.835 385 HB VAL 42 HB VAL 42 0.668 -9.166 8.856 386 HG11 VAL 42 HG11 VAL 42 0.697 -11.619 9.105 387 HG12 VAL 42 HG12 VAL 42 2.454 -11.613 9.172 388 HG13 VAL 42 HG13 VAL 42 1.514 -10.861 10.456 389 HG21 VAL 42 HG21 VAL 42 2.693 -8.731 10.261 390 HG22 VAL 42 HG22 VAL 42 3.719 -9.218 8.914 391 HG23 VAL 42 HG23 VAL 42 2.697 -7.786 8.787 392 H GLN 43 HN GLN 43 1.268 -12.314 6.381 393 HA GLN 43 HA GLN 43 -1.658 -11.953 5.910 394 HB2 GLN 43 HB2 GLN 43 -0.435 -12.105 3.772 395 HB3 GLN 43 HB3 GLN 43 0.326 -13.592 4.274 396 HG2 GLN 43 HG2 GLN 43 -1.914 -14.726 4.372 397 HG3 GLN 43 HG3 GLN 43 -2.703 -13.215 3.984 398 HE21 GLN 43 HE21 GLN 43 -3.583 -14.844 2.313 399 HE22 GLN 43 HE22 GLN 43 -2.732 -14.926 0.791 400 H ASN 44 HN ASN 44 -2.795 -13.112 7.256 401 HA ASN 44 HA ASN 44 -1.767 -15.659 8.400 402 HB2 ASN 44 HB2 ASN 44 -3.215 -13.349 9.827 403 HB3 ASN 44 HB3 ASN 44 -3.046 -14.949 10.506 404 HD21 ASN 44 HD21 ASN 44 -1.825 -12.023 10.958 405 HD22 ASN 44 HD22 ASN 44 -0.190 -12.431 11.404 406 H GLY 45 HN GLY 45 -2.905 -16.388 6.416 407 HA2 GLY 45 HA2 GLY 45 -4.646 -17.544 5.490 408 HA3 GLY 45 HA1 GLY 45 -5.575 -17.329 6.966 409 H LYS 46 HN LYS 46 -7.394 -16.116 6.693 410 HA LYS 46 HA LYS 46 -7.887 -14.447 4.377 411 HB2 LYS 46 HB2 LYS 46 -9.477 -14.764 6.962 412 HB3 LYS 46 HB3 LYS 46 -10.055 -14.029 5.495 413 HG2 LYS 46 HG2 LYS 46 -9.399 -16.985 5.893 414 HG3 LYS 46 HG3 LYS 46 -10.966 -16.259 5.814 415 HD2 LYS 46 HD2 LYS 46 -10.907 -16.977 3.663 416 HD3 LYS 46 HD3 LYS 46 -10.157 -15.433 3.398 417 HE2 LYS 46 HE2 LYS 46 -7.880 -16.495 3.440 418 HE3 LYS 46 HE3 LYS 46 -8.610 -18.044 3.811 419 HZ1 LYS 46 HZ1 LYS 46 -8.128 -17.819 1.510 420 HZ2 LYS 46 HZ2 LYS 46 -9.078 -16.477 1.380 421 HZ3 LYS 46 HZ3 LYS 46 -9.758 -17.939 1.724 422 H HIS 47 HN HIS 47 -6.742 -13.873 7.697 423 HA HIS 47 HA HIS 47 -7.268 -11.035 7.638 424 HB2 HIS 47 HB2 HIS 47 -7.209 -12.416 9.732 425 HB3 HIS 47 HB3 HIS 47 -5.486 -12.618 9.534 426 HD1 HIS 47 HD1 HIS 47 -8.052 -9.768 9.858 427 HD2 HIS 47 HD2 HIS 47 -3.988 -10.510 10.728 428 HE1 HIS 47 HE1 HIS 47 -7.127 -7.778 11.114 429 H PHE 48 HN PHE 48 -5.881 -9.380 7.350 430 HA PHE 48 HA PHE 48 -3.085 -9.828 6.502 431 HB2 PHE 48 HB2 PHE 48 -5.280 -8.213 5.181 432 HB3 PHE 48 HB3 PHE 48 -3.629 -7.720 4.981 433 HD1 PHE 48 HD1 PHE 48 -6.002 -10.509 4.263 434 HD2 PHE 48 HD2 PHE 48 -2.107 -8.831 3.487 435 HE1 PHE 48 HE1 PHE 48 -5.700 -12.049 2.361 436 HE2 PHE 48 HE2 PHE 48 -1.867 -10.340 1.562 437 HZ PHE 48 HZ PHE 48 -3.643 -11.943 0.999 438 H LYS 49 HN LYS 49 -1.684 -8.226 7.131 439 HA LYS 49 HA LYS 49 -2.756 -5.790 8.447 440 HB2 LYS 49 HB2 LYS 49 -1.694 -7.530 10.088 441 HB3 LYS 49 HB3 LYS 49 -0.178 -7.178 9.303 442 HG2 LYS 49 HG2 LYS 49 -0.616 -4.689 9.905 443 HG3 LYS 49 HG3 LYS 49 -1.981 -5.252 10.829 444 HD2 LYS 49 HD2 LYS 49 -0.252 -6.823 12.048 445 HD3 LYS 49 HD3 LYS 49 0.966 -5.852 11.272 446 HE2 LYS 49 HE2 LYS 49 0.759 -4.774 13.341 447 HE3 LYS 49 HE3 LYS 49 -0.269 -3.778 12.326 448 HZ1 LYS 49 HZ1 LYS 49 -1.313 -4.336 14.386 449 HZ2 LYS 49 HZ2 LYS 49 -1.145 -5.949 14.111 450 HZ3 LYS 49 HZ3 LYS 49 -2.160 -5.062 13.180 451 H PHE 50 HN PHE 50 -1.775 -3.951 7.723 452 HA PHE 50 HA PHE 50 0.509 -4.120 5.808 453 HB2 PHE 50 HB2 PHE 50 -2.225 -2.915 5.450 454 HB3 PHE 50 HB3 PHE 50 -0.894 -1.952 4.896 455 HD1 PHE 50 HD1 PHE 50 -2.448 -5.362 4.573 456 HD2 PHE 50 HD2 PHE 50 0.159 -2.409 2.800 457 HE1 PHE 50 HE1 PHE 50 -2.375 -6.651 2.481 458 HE2 PHE 50 HE2 PHE 50 0.191 -3.715 0.719 459 HZ PHE 50 HZ PHE 50 -1.080 -5.831 0.558 460 H THR 51 HN THR 51 2.173 -3.027 6.588 461 HA THR 51 HA THR 51 1.745 -0.700 8.416 462 HB THR 51 HB THR 51 3.821 -2.946 8.495 463 HG1 THR 51 HG1 THR 51 2.961 -3.103 10.635 464 HG21 THR 51 HG21 THR 51 4.770 -1.810 10.532 465 HG22 THR 51 HG22 THR 51 3.791 -0.389 10.187 466 HG23 THR 51 HG23 THR 51 5.071 -0.878 9.080 467 H ILE 52 HN ILE 52 2.667 1.147 7.647 468 HA ILE 52 HA ILE 52 4.770 1.007 5.523 469 HB ILE 52 HB ILE 52 2.316 2.840 5.553 470 HG12 ILE 52 HG12 ILE 52 2.044 1.571 3.198 471 HG13 ILE 52 HG13 ILE 52 2.825 0.279 4.043 472 HG21 ILE 52 HG21 ILE 52 4.558 2.634 3.487 473 HG22 ILE 52 HG22 ILE 52 3.108 3.623 3.329 474 HG23 ILE 52 HG23 ILE 52 4.278 4.001 4.562 475 HD11 ILE 52 HD11 ILE 52 0.124 1.603 4.533 476 HD12 ILE 52 HD12 ILE 52 0.500 -0.110 4.401 477 HD13 ILE 52 HD13 ILE 52 0.874 0.764 5.879 478 H THR 53 HN THR 53 6.491 2.198 6.071 479 HA THR 53 HA THR 53 6.179 4.548 7.903 480 HB THR 53 HB THR 53 8.543 2.612 7.612 481 HG1 THR 53 HG1 THR 53 6.819 1.820 8.820 482 HG21 THR 53 HG21 THR 53 9.520 3.877 9.567 483 HG22 THR 53 HG22 THR 53 8.251 5.087 9.406 484 HG23 THR 53 HG23 THR 53 9.445 4.874 8.128 485 H ALA 54 HN ALA 54 6.720 6.433 6.933 486 HA ALA 54 HA ALA 54 8.950 6.719 5.158 487 HB1 ALA 54 HB1 ALA 54 7.380 5.845 3.431 488 HB2 ALA 54 HB2 ALA 54 6.147 6.999 3.925 489 HB3 ALA 54 HB3 ALA 54 7.636 7.560 3.170 490 H GLY 55 HN GLY 55 9.747 8.696 5.617 491 HA2 GLY 55 HA2 GLY 55 9.843 10.921 6.194 492 HA3 GLY 55 HA1 GLY 55 8.099 11.047 6.124 493 H SER 56 HN SER 56 9.570 8.507 8.081 494 HA SER 56 HA SER 56 9.863 8.045 10.175 495 HB2 SER 56 HB2 SER 56 11.025 10.253 10.419 496 HB3 SER 56 HB3 SER 56 9.520 10.984 10.946 497 HG SER 56 HG SER 56 10.817 10.334 12.679 498 H LYS 57 HN LYS 57 6.925 9.784 9.342 499 HA LYS 57 HA LYS 57 5.352 8.775 11.547 500 HB2 LYS 57 HB2 LYS 57 3.440 9.621 10.297 501 HB3 LYS 57 HB3 LYS 57 4.708 10.793 10.405 502 HG2 LYS 57 HG2 LYS 57 4.125 11.124 8.217 503 HG3 LYS 57 HG3 LYS 57 5.400 9.990 8.001 504 HD2 LYS 57 HD2 LYS 57 3.894 8.949 6.632 505 HD3 LYS 57 HD3 LYS 57 3.327 8.209 8.092 506 HE2 LYS 57 HE2 LYS 57 2.103 10.734 6.886 507 HE3 LYS 57 HE3 LYS 57 1.480 9.114 6.680 508 HZ1 LYS 57 HZ1 LYS 57 1.723 10.501 9.246 509 HZ2 LYS 57 HZ2 LYS 57 1.157 8.964 9.035 510 HZ3 LYS 57 HZ3 LYS 57 0.341 10.240 8.381 511 H VAL 58 HN VAL 58 3.981 7.015 11.615 512 HA VAL 58 HA VAL 58 4.413 4.892 9.561 513 HB VAL 58 HB VAL 58 3.976 4.539 12.564 514 HG11 VAL 58 HG11 VAL 58 3.120 2.584 11.327 515 HG12 VAL 58 HG12 VAL 58 4.612 2.474 10.403 516 HG13 VAL 58 HG13 VAL 58 4.609 2.151 12.134 517 HG21 VAL 58 HG21 VAL 58 6.357 3.737 12.637 518 HG22 VAL 58 HG22 VAL 58 6.575 4.331 10.994 519 HG23 VAL 58 HG23 VAL 58 6.218 5.450 12.298 520 H ILE 59 HN ILE 59 2.624 3.963 8.761 521 HA ILE 59 HA ILE 59 -0.078 4.570 9.904 522 HB ILE 59 HB ILE 59 0.589 3.697 7.036 523 HG12 ILE 59 HG12 ILE 59 -0.190 6.157 6.521 524 HG13 ILE 59 HG13 ILE 59 0.371 6.522 8.121 525 HG21 ILE 59 HG21 ILE 59 -1.963 4.878 8.222 526 HG22 ILE 59 HG22 ILE 59 -1.727 4.419 6.540 527 HG23 ILE 59 HG23 ILE 59 -1.732 3.193 7.785 528 HD11 ILE 59 HD11 ILE 59 2.685 6.004 7.473 529 HD12 ILE 59 HD12 ILE 59 2.158 5.127 6.040 530 HD13 ILE 59 HD13 ILE 59 2.004 6.870 6.113 531 H GLN 60 HN GLN 60 -1.243 2.754 10.515 532 HA GLN 60 HA GLN 60 -0.373 0.097 9.521 533 HB2 GLN 60 HB2 GLN 60 -0.996 0.752 12.429 534 HB3 GLN 60 HB3 GLN 60 -0.940 -0.860 11.764 535 HG2 GLN 60 HG2 GLN 60 1.472 -0.333 10.984 536 HG3 GLN 60 HG3 GLN 60 1.395 1.100 11.977 537 HE21 GLN 60 HE21 GLN 60 1.411 0.855 14.303 538 HE22 GLN 60 HE22 GLN 60 1.800 -0.669 15.055 539 H ASN 61 HN ASN 61 -1.890 -1.194 8.890 540 HA ASN 61 HA ASN 61 -4.773 -0.499 9.221 541 HB2 ASN 61 HB2 ASN 61 -3.249 -1.526 6.760 542 HB3 ASN 61 HB3 ASN 61 -4.984 -1.419 6.853 543 HD21 ASN 61 HD21 ASN 61 -5.944 0.427 6.118 544 HD22 ASN 61 HD22 ASN 61 -5.112 1.931 5.825 545 H GLU 62 HN GLU 62 -6.154 -2.286 9.354 546 HA GLU 62 HA GLU 62 -5.072 -5.018 9.070 547 HB2 GLU 62 HB2 GLU 62 -6.555 -3.902 11.484 548 HB3 GLU 62 HB3 GLU 62 -6.788 -5.558 11.015 549 HG2 GLU 62 HG2 GLU 62 -4.283 -5.925 11.177 550 HG3 GLU 62 HG3 GLU 62 -4.108 -4.280 11.756 551 H PHE 63 HN PHE 63 -6.458 -6.409 8.107 552 HA PHE 63 HA PHE 63 -9.253 -5.940 8.030 553 HB2 PHE 63 HB2 PHE 63 -9.568 -5.791 5.593 554 HB3 PHE 63 HB3 PHE 63 -8.712 -4.414 6.180 555 HD1 PHE 63 HD1 PHE 63 -8.396 -7.590 4.248 556 HD2 PHE 63 HD2 PHE 63 -6.382 -3.977 5.492 557 HE1 PHE 63 HE1 PHE 63 -6.638 -7.970 2.575 558 HE2 PHE 63 HE2 PHE 63 -4.654 -4.381 3.787 559 HZ PHE 63 HZ PHE 63 -4.792 -6.358 2.319 560 H THR 64 HN THR 64 -10.461 -7.646 6.962 561 HA THR 64 HA THR 64 -8.957 -10.180 6.529 562 HB THR 64 HB THR 64 -11.650 -9.744 7.932 563 HG1 THR 64 HG1 THR 64 -10.547 -10.837 9.607 564 HG21 THR 64 HG21 THR 64 -11.728 -12.222 8.254 565 HG22 THR 64 HG22 THR 64 -10.318 -12.404 7.217 566 HG23 THR 64 HG23 THR 64 -11.845 -11.825 6.551 567 H VAL 65 HN VAL 65 -9.301 -10.971 4.503 568 HA VAL 65 HA VAL 65 -10.792 -9.393 2.675 569 HB VAL 65 HB VAL 65 -10.184 -11.005 0.961 570 HG11 VAL 65 HG11 VAL 65 -7.738 -10.744 1.068 571 HG12 VAL 65 HG12 VAL 65 -8.578 -9.276 1.546 572 HG13 VAL 65 HG13 VAL 65 -7.850 -10.310 2.769 573 HG21 VAL 65 HG21 VAL 65 -8.716 -12.974 1.435 574 HG22 VAL 65 HG22 VAL 65 -9.081 -12.809 3.146 575 HG23 VAL 65 HG23 VAL 65 -10.358 -13.195 2.002 576 H GLY 66 HN GLY 66 -12.639 -9.703 1.578 577 HA2 GLY 66 HA2 GLY 66 -14.702 -10.548 0.994 578 HA3 GLY 66 HA1 GLY 66 -14.479 -11.960 2.010 579 H GLU 67 HN GLU 67 -13.616 -9.315 3.956 580 HA GLU 67 HA GLU 67 -16.359 -8.918 5.053 581 HB2 GLU 67 HB2 GLU 67 -13.799 -9.534 6.611 582 HB3 GLU 67 HB3 GLU 67 -15.358 -9.186 7.301 583 HG2 GLU 67 HG2 GLU 67 -16.296 -11.269 6.226 584 HG3 GLU 67 HG3 GLU 67 -14.719 -11.628 5.560 585 H GLU 68 HN GLU 68 -16.599 -7.044 6.387 586 HA GLU 68 HA GLU 68 -15.102 -4.738 5.382 587 HB2 GLU 68 HB2 GLU 68 -17.608 -4.828 5.455 588 HB3 GLU 68 HB3 GLU 68 -17.542 -4.926 7.187 589 HG2 GLU 68 HG2 GLU 68 -16.496 -2.663 7.323 590 HG3 GLU 68 HG3 GLU 68 -16.382 -2.592 5.579 591 H CYS 69 HN CYS 69 -13.561 -3.675 6.472 592 HA CYS 69 HA CYS 69 -13.284 -3.861 9.406 593 HB2 CYS 69 HB2 CYS 69 -11.140 -4.671 7.371 594 HB3 CYS 69 HB3 CYS 69 -10.753 -4.227 9.024 595 HG CYS 69 HG CYS 69 -12.734 -6.635 7.982 596 H GLU 70 HN GLU 70 -11.775 -2.219 10.245 597 HA GLU 70 HA GLU 70 -12.190 0.283 8.770 598 HB2 GLU 70 HB2 GLU 70 -12.874 -0.144 11.193 599 HB3 GLU 70 HB3 GLU 70 -11.182 -0.137 11.598 600 HG2 GLU 70 HG2 GLU 70 -11.048 2.201 10.521 601 HG3 GLU 70 HG3 GLU 70 -12.773 2.148 10.313 602 H LEU 71 HN LEU 71 -10.653 1.032 7.460 603 HA LEU 71 HA LEU 71 -7.778 0.351 7.855 604 HB2 LEU 71 HB2 LEU 71 -9.507 1.165 5.476 605 HB3 LEU 71 HB3 LEU 71 -7.808 1.497 5.455 606 HG LEU 71 HG LEU 71 -7.251 -0.869 5.812 607 HD11 LEU 71 HD11 LEU 71 -8.850 -2.162 6.752 608 HD12 LEU 71 HD12 LEU 71 -9.410 -2.427 5.108 609 HD13 LEU 71 HD13 LEU 71 -10.186 -1.226 6.118 610 HD21 LEU 71 HD21 LEU 71 -7.054 -1.004 3.582 611 HD22 LEU 71 HD22 LEU 71 -8.114 0.384 3.416 612 HD23 LEU 71 HD23 LEU 71 -8.777 -1.233 3.346 613 H GLU 72 HN GLU 72 -6.335 1.882 8.363 614 HA GLU 72 HA GLU 72 -7.110 4.672 8.758 615 HB2 GLU 72 HB2 GLU 72 -5.712 3.257 10.371 616 HB3 GLU 72 HB3 GLU 72 -4.437 3.282 9.191 617 HG2 GLU 72 HG2 GLU 72 -4.196 5.743 9.409 618 HG3 GLU 72 HG3 GLU 72 -5.614 5.826 10.431 619 H THR 73 HN THR 73 -5.431 6.350 7.953 620 HA THR 73 HA THR 73 -4.516 5.810 5.164 621 HB THR 73 HB THR 73 -5.489 7.906 4.452 622 HG1 THR 73 HG1 THR 73 -6.752 9.166 5.886 623 HG21 THR 73 HG21 THR 73 -7.876 7.524 4.545 624 HG22 THR 73 HG22 THR 73 -7.742 6.535 5.988 625 HG23 THR 73 HG23 THR 73 -7.084 5.956 4.466 626 H MET 74 HN MET 74 -3.203 7.731 4.364 627 HA MET 74 HA MET 74 -0.935 8.196 5.998 628 HB2 MET 74 HB2 MET 74 -1.729 9.802 3.554 629 HB3 MET 74 HB3 MET 74 -0.127 9.542 4.152 630 HG2 MET 74 HG2 MET 74 -1.940 7.442 2.851 631 HG3 MET 74 HG3 MET 74 -0.610 8.253 2.092 632 HE1 MET 74 HE1 MET 74 2.561 6.599 3.489 633 HE2 MET 74 HE2 MET 74 1.856 7.601 2.211 634 HE3 MET 74 HE3 MET 74 1.882 8.182 3.883 635 H THR 75 HN THR 75 -3.924 10.042 5.601 636 HA THR 75 HA THR 75 -2.909 12.487 6.839 637 HB THR 75 HB THR 75 -5.225 13.266 6.616 638 HG1 THR 75 HG1 THR 75 -6.599 11.779 6.906 639 HG21 THR 75 HG21 THR 75 -5.639 12.999 4.148 640 HG22 THR 75 HG22 THR 75 -4.269 11.904 4.056 641 HG23 THR 75 HG23 THR 75 -4.043 13.586 4.547 642 H GLY 76 HN GLY 76 -4.472 9.493 7.893 643 HA2 GLY 76 HA2 GLY 76 -4.287 8.815 10.148 644 HA3 GLY 76 HA1 GLY 76 -4.421 10.459 10.725 645 H GLU 77 HN GLU 77 -6.791 10.067 8.253 646 HA GLU 77 HA GLU 77 -9.011 9.666 10.085 647 HB2 GLU 77 HB2 GLU 77 -8.802 9.700 7.039 648 HB3 GLU 77 HB3 GLU 77 -10.273 9.264 7.832 649 HG2 GLU 77 HG2 GLU 77 -10.747 11.459 7.536 650 HG3 GLU 77 HG3 GLU 77 -10.007 11.601 9.104 651 H LYS 78 HN LYS 78 -10.427 7.885 10.161 652 HA LYS 78 HA LYS 78 -9.446 5.314 9.029 653 HB2 LYS 78 HB2 LYS 78 -10.760 5.760 11.756 654 HB3 LYS 78 HB3 LYS 78 -10.481 4.232 10.987 655 HG2 LYS 78 HG2 LYS 78 -7.939 4.929 10.920 656 HG3 LYS 78 HG3 LYS 78 -8.406 6.123 12.094 657 HD2 LYS 78 HD2 LYS 78 -7.787 4.350 13.486 658 HD3 LYS 78 HD3 LYS 78 -9.510 4.116 13.391 659 HE2 LYS 78 HE2 LYS 78 -8.975 2.482 11.373 660 HE3 LYS 78 HE3 LYS 78 -7.327 2.548 11.945 661 HZ1 LYS 78 HZ1 LYS 78 -8.152 1.792 14.095 662 HZ2 LYS 78 HZ2 LYS 78 -8.499 0.725 12.882 663 HZ3 LYS 78 HZ3 LYS 78 -9.686 1.703 13.475 664 H VAL 79 HN VAL 79 -10.956 4.135 7.958 665 HA VAL 79 HA VAL 79 -13.815 4.832 8.128 666 HB VAL 79 HB VAL 79 -14.029 4.825 5.661 667 HG11 VAL 79 HG11 VAL 79 -12.244 7.119 6.537 668 HG12 VAL 79 HG12 VAL 79 -13.414 7.112 5.224 669 HG13 VAL 79 HG13 VAL 79 -13.966 6.982 6.885 670 HG21 VAL 79 HG21 VAL 79 -12.030 3.670 4.856 671 HG22 VAL 79 HG22 VAL 79 -12.084 5.278 4.168 672 HG23 VAL 79 HG23 VAL 79 -10.986 4.937 5.499 673 H LYS 80 HN LYS 80 -15.176 3.168 7.688 674 HA LYS 80 HA LYS 80 -14.158 0.461 7.665 675 HB2 LYS 80 HB2 LYS 80 -16.954 1.674 7.537 676 HB3 LYS 80 HB3 LYS 80 -16.642 -0.042 7.467 677 HG2 LYS 80 HG2 LYS 80 -15.533 -0.014 9.670 678 HG3 LYS 80 HG3 LYS 80 -15.712 1.712 9.787 679 HD2 LYS 80 HD2 LYS 80 -17.397 0.533 11.143 680 HD3 LYS 80 HD3 LYS 80 -18.145 1.539 9.932 681 HE2 LYS 80 HE2 LYS 80 -18.642 -0.409 8.515 682 HE3 LYS 80 HE3 LYS 80 -17.721 -1.476 9.567 683 HZ1 LYS 80 HZ1 LYS 80 -20.039 -1.627 9.933 684 HZ2 LYS 80 HZ2 LYS 80 -20.161 -0.022 10.293 685 HZ3 LYS 80 HZ3 LYS 80 -19.313 -1.031 11.291 686 H THR 81 HN THR 81 -13.998 -0.948 5.995 687 HA THR 81 HA THR 81 -15.143 -0.484 3.382 688 HB THR 81 HB THR 81 -13.291 1.099 3.179 689 HG1 THR 81 HG1 THR 81 -13.504 -0.038 1.355 690 HG21 THR 81 HG21 THR 81 -11.335 -1.125 3.973 691 HG22 THR 81 HG22 THR 81 -11.749 0.253 4.994 692 HG23 THR 81 HG23 THR 81 -10.921 0.503 3.468 693 H VAL 82 HN VAL 82 -15.140 -2.306 2.123 694 HA VAL 82 HA VAL 82 -14.216 -4.842 3.310 695 HB VAL 82 HB VAL 82 -15.843 -4.181 0.813 696 HG11 VAL 82 HG11 VAL 82 -16.389 -6.652 0.727 697 HG12 VAL 82 HG12 VAL 82 -14.728 -6.308 0.308 698 HG13 VAL 82 HG13 VAL 82 -15.120 -6.943 1.907 699 HG21 VAL 82 HG21 VAL 82 -17.767 -5.113 2.024 700 HG22 VAL 82 HG22 VAL 82 -16.756 -5.462 3.417 701 HG23 VAL 82 HG23 VAL 82 -17.082 -3.793 2.955 702 H VAL 83 HN VAL 83 -12.600 -6.099 2.453 703 HA VAL 83 HA VAL 83 -11.171 -5.124 0.015 704 HB VAL 83 HB VAL 83 -9.950 -6.750 2.297 705 HG11 VAL 83 HG11 VAL 83 -8.691 -7.201 0.323 706 HG12 VAL 83 HG12 VAL 83 -8.765 -5.536 -0.231 707 HG13 VAL 83 HG13 VAL 83 -7.771 -5.957 1.137 708 HG21 VAL 83 HG21 VAL 83 -9.889 -3.741 1.922 709 HG22 VAL 83 HG22 VAL 83 -10.303 -4.657 3.352 710 HG23 VAL 83 HG23 VAL 83 -8.639 -4.583 2.794 711 H GLN 84 HN GLN 84 -10.784 -6.601 -1.537 712 HA GLN 84 HA GLN 84 -11.731 -9.419 -1.210 713 HB2 GLN 84 HB2 GLN 84 -11.630 -7.570 -3.666 714 HB3 GLN 84 HB3 GLN 84 -12.050 -9.251 -3.737 715 HG2 GLN 84 HG2 GLN 84 -13.652 -7.080 -2.304 716 HG3 GLN 84 HG3 GLN 84 -14.057 -7.826 -3.829 717 HE21 GLN 84 HE21 GLN 84 -15.684 -7.720 -1.386 718 HE22 GLN 84 HE22 GLN 84 -16.014 -9.378 -0.957 719 H LEU 85 HN LEU 85 -10.552 -10.947 -2.618 720 HA LEU 85 HA LEU 85 -7.923 -10.069 -3.582 721 HB2 LEU 85 HB2 LEU 85 -7.530 -10.981 -1.334 722 HB3 LEU 85 HB3 LEU 85 -8.255 -12.490 -1.738 723 HG LEU 85 HG LEU 85 -6.035 -11.540 -3.535 724 HD11 LEU 85 HD11 LEU 85 -5.561 -11.722 -0.657 725 HD12 LEU 85 HD12 LEU 85 -4.504 -11.186 -1.953 726 HD13 LEU 85 HD13 LEU 85 -4.572 -12.878 -1.518 727 HD21 LEU 85 HD21 LEU 85 -5.972 -14.329 -2.460 728 HD22 LEU 85 HD22 LEU 85 -5.765 -13.737 -4.097 729 HD23 LEU 85 HD23 LEU 85 -7.374 -13.947 -3.428 730 H GLU 86 HN GLU 86 -8.026 -10.434 -5.669 731 HA GLU 86 HA GLU 86 -9.571 -12.640 -6.847 732 HB2 GLU 86 HB2 GLU 86 -7.710 -10.545 -8.063 733 HB3 GLU 86 HB3 GLU 86 -8.597 -11.735 -8.971 734 HG2 GLU 86 HG2 GLU 86 -10.767 -10.759 -8.080 735 HG3 GLU 86 HG3 GLU 86 -9.847 -9.533 -7.237 736 H GLY 87 HN GLY 87 -8.645 -14.416 -7.836 737 HA2 GLY 87 HA2 GLY 87 -6.437 -15.661 -6.606 738 HA3 GLY 87 HA1 GLY 87 -7.282 -16.212 -8.040 739 H ASP 88 HN ASP 88 -6.419 -13.388 -9.238 740 HA ASP 88 HA ASP 88 -3.898 -14.153 -10.439 741 HB2 ASP 88 HB2 ASP 88 -5.321 -11.486 -10.687 742 HB3 ASP 88 HB3 ASP 88 -4.115 -12.154 -11.783 743 H ASN 89 HN ASN 89 -3.956 -13.701 -7.493 744 HA ASN 89 HA ASN 89 -3.018 -12.793 -5.813 745 HB2 ASN 89 HB2 ASN 89 -0.534 -12.365 -5.874 746 HB3 ASN 89 HB3 ASN 89 -1.069 -13.887 -6.492 747 HD21 ASN 89 HD21 ASN 89 -0.371 -10.582 -7.833 748 HD22 ASN 89 HD22 ASN 89 0.494 -11.182 -9.225 749 H LYS 90 HN LYS 90 -4.784 -11.032 -6.729 750 HA LYS 90 HA LYS 90 -3.548 -8.331 -6.372 751 HB2 LYS 90 HB2 LYS 90 -5.804 -9.242 -8.191 752 HB3 LYS 90 HB3 LYS 90 -5.485 -7.566 -7.843 753 HG2 LYS 90 HG2 LYS 90 -3.344 -7.603 -8.934 754 HG3 LYS 90 HG3 LYS 90 -3.301 -9.329 -9.002 755 HD2 LYS 90 HD2 LYS 90 -3.934 -8.932 -11.180 756 HD3 LYS 90 HD3 LYS 90 -5.502 -9.107 -10.465 757 HE2 LYS 90 HE2 LYS 90 -5.798 -7.165 -11.723 758 HE3 LYS 90 HE3 LYS 90 -5.458 -6.486 -10.144 759 HZ1 LYS 90 HZ1 LYS 90 -3.116 -6.300 -10.899 760 HZ2 LYS 90 HZ2 LYS 90 -4.169 -5.428 -11.830 761 HZ3 LYS 90 HZ3 LYS 90 -3.567 -6.864 -12.369 762 H LEU 91 HN LEU 91 -4.016 -7.820 -4.302 763 HA LEU 91 HA LEU 91 -6.621 -8.164 -3.043 764 HB2 LEU 91 HB2 LEU 91 -4.181 -6.419 -2.528 765 HB3 LEU 91 HB3 LEU 91 -5.605 -6.254 -1.553 766 HG LEU 91 HG LEU 91 -4.131 -8.892 -1.800 767 HD11 LEU 91 HD11 LEU 91 -3.243 -6.516 -0.370 768 HD12 LEU 91 HD12 LEU 91 -2.474 -8.091 -0.498 769 HD13 LEU 91 HD13 LEU 91 -3.632 -7.781 0.778 770 HD21 LEU 91 HD21 LEU 91 -5.365 -9.465 0.284 771 HD22 LEU 91 HD22 LEU 91 -6.497 -9.043 -0.988 772 HD23 LEU 91 HD23 LEU 91 -6.138 -7.885 0.279 773 H VAL 92 HN VAL 92 -8.316 -6.631 -3.059 774 HA VAL 92 HA VAL 92 -7.948 -4.100 -4.562 775 HB VAL 92 HB VAL 92 -10.171 -6.126 -5.105 776 HG11 VAL 92 HG11 VAL 92 -11.153 -3.882 -5.286 777 HG12 VAL 92 HG12 VAL 92 -9.799 -3.332 -6.272 778 HG13 VAL 92 HG13 VAL 92 -10.928 -4.529 -6.893 779 HG21 VAL 92 HG21 VAL 92 -8.189 -6.863 -6.300 780 HG22 VAL 92 HG22 VAL 92 -9.289 -6.155 -7.457 781 HG23 VAL 92 HG23 VAL 92 -7.887 -5.240 -6.916 782 H THR 93 HN THR 93 -8.936 -2.416 -3.549 783 HA THR 93 HA THR 93 -11.332 -2.718 -1.965 784 HB THR 93 HB THR 93 -9.654 -3.441 -0.304 785 HG1 THR 93 HG1 THR 93 -11.363 -2.305 0.522 786 HG21 THR 93 HG21 THR 93 -7.636 -2.113 -1.114 787 HG22 THR 93 HG22 THR 93 -7.923 -2.042 0.616 788 HG23 THR 93 HG23 THR 93 -8.376 -0.678 -0.386 789 H THR 94 HN THR 94 -11.905 -0.481 -0.923 790 HA THR 94 HA THR 94 -10.935 1.825 -2.469 791 HB THR 94 HB THR 94 -13.301 2.490 -3.030 792 HG1 THR 94 HG1 THR 94 -14.339 1.083 -1.567 793 HG21 THR 94 HG21 THR 94 -12.569 -0.148 -4.393 794 HG22 THR 94 HG22 THR 94 -11.918 1.427 -4.832 795 HG23 THR 94 HG23 THR 94 -13.633 1.105 -5.015 796 H PHE 95 HN PHE 95 -10.605 3.396 -0.995 797 HA PHE 95 HA PHE 95 -12.438 3.707 1.330 798 HB2 PHE 95 HB2 PHE 95 -10.587 3.878 2.842 799 HB3 PHE 95 HB3 PHE 95 -10.425 2.377 1.996 800 HD1 PHE 95 HD1 PHE 95 -8.624 2.129 0.193 801 HD2 PHE 95 HD2 PHE 95 -8.908 5.650 2.675 802 HE1 PHE 95 HE1 PHE 95 -6.349 2.805 -0.454 803 HE2 PHE 95 HE2 PHE 95 -6.630 6.289 1.994 804 HZ PHE 95 HZ PHE 95 -5.355 4.871 0.435 805 H LYS 96 HN LYS 96 -13.182 5.746 1.446 806 HA LYS 96 HA LYS 96 -13.603 7.877 0.991 807 HB2 LYS 96 HB2 LYS 96 -10.565 8.252 1.092 808 HB3 LYS 96 HB3 LYS 96 -11.762 9.514 1.195 809 HG2 LYS 96 HG2 LYS 96 -12.666 8.184 3.279 810 HG3 LYS 96 HG3 LYS 96 -11.074 7.468 3.287 811 HD2 LYS 96 HD2 LYS 96 -11.772 10.438 3.485 812 HD3 LYS 96 HD3 LYS 96 -11.132 9.441 4.757 813 HE2 LYS 96 HE2 LYS 96 -8.946 9.264 3.635 814 HE3 LYS 96 HE3 LYS 96 -9.551 10.064 2.202 815 HZ1 LYS 96 HZ1 LYS 96 -8.345 11.558 3.549 816 HZ2 LYS 96 HZ2 LYS 96 -9.346 11.346 4.832 817 HZ3 LYS 96 HZ3 LYS 96 -9.917 12.032 3.454 818 H ASN 97 HN ASN 97 -13.630 6.320 -1.359 819 HA ASN 97 HA ASN 97 -13.788 6.434 -3.588 820 HB2 ASN 97 HB2 ASN 97 -14.473 8.918 -3.108 821 HB3 ASN 97 HB3 ASN 97 -12.855 9.361 -3.588 822 HD21 ASN 97 HD21 ASN 97 -13.329 10.475 -5.479 823 HD22 ASN 97 HD22 ASN 97 -14.168 9.778 -6.841 824 H ILE 98 HN ILE 98 -10.846 6.738 -1.993 825 HA ILE 98 HA ILE 98 -9.114 6.786 -4.328 826 HB ILE 98 HB ILE 98 -8.446 5.879 -1.486 827 HG12 ILE 98 HG12 ILE 98 -7.778 8.634 -2.522 828 HG13 ILE 98 HG13 ILE 98 -9.307 8.358 -1.757 829 HG21 ILE 98 HG21 ILE 98 -6.619 6.651 -3.782 830 HG22 ILE 98 HG22 ILE 98 -6.090 6.422 -2.119 831 HG23 ILE 98 HG23 ILE 98 -6.755 5.079 -3.000 832 HD11 ILE 98 HD11 ILE 98 -7.632 9.214 -0.160 833 HD12 ILE 98 HD12 ILE 98 -8.261 7.648 0.326 834 HD13 ILE 98 HD13 ILE 98 -6.650 7.774 -0.381 835 H LYS 99 HN LYS 99 -9.279 5.122 -5.695 836 HA LYS 99 HA LYS 99 -9.942 2.395 -5.204 837 HB2 LYS 99 HB2 LYS 99 -9.897 3.658 -7.444 838 HB3 LYS 99 HB3 LYS 99 -8.169 3.695 -7.313 839 HG2 LYS 99 HG2 LYS 99 -8.377 1.927 -8.744 840 HG3 LYS 99 HG3 LYS 99 -8.292 1.057 -7.265 841 HD2 LYS 99 HD2 LYS 99 -10.187 0.014 -7.920 842 HD3 LYS 99 HD3 LYS 99 -11.037 1.446 -7.434 843 HE2 LYS 99 HE2 LYS 99 -10.042 0.823 -10.264 844 HE3 LYS 99 HE3 LYS 99 -11.707 0.790 -9.720 845 HZ1 LYS 99 HZ1 LYS 99 -9.998 3.172 -9.827 846 HZ2 LYS 99 HZ2 LYS 99 -11.563 3.144 -9.314 847 HZ3 LYS 99 HZ3 LYS 99 -11.203 2.790 -10.883 848 H SER 100 HN SER 100 -8.568 0.591 -4.815 849 HA SER 100 HA SER 100 -5.678 1.059 -4.442 850 HB2 SER 100 HB2 SER 100 -6.599 1.503 -2.227 851 HB3 SER 100 HB3 SER 100 -7.602 0.079 -2.294 852 HG SER 100 HG SER 100 -5.734 -0.286 -1.077 853 H VAL 101 HN VAL 101 -4.584 -0.476 -5.338 854 HA VAL 101 HA VAL 101 -5.588 -3.242 -5.335 855 HB VAL 101 HB VAL 101 -4.198 -1.858 -7.684 856 HG11 VAL 101 HG11 VAL 101 -3.265 -4.130 -7.546 857 HG12 VAL 101 HG12 VAL 101 -4.877 -4.820 -7.379 858 HG13 VAL 101 HG13 VAL 101 -4.383 -4.060 -8.886 859 HG21 VAL 101 HG21 VAL 101 -6.223 -2.501 -9.005 860 HG22 VAL 101 HG22 VAL 101 -6.993 -3.062 -7.524 861 HG23 VAL 101 HG23 VAL 101 -6.592 -1.359 -7.729 862 H THR 102 HN THR 102 -3.986 -4.623 -4.573 863 HA THR 102 HA THR 102 -1.160 -3.689 -4.599 864 HB THR 102 HB THR 102 -2.272 -5.454 -2.365 865 HG1 THR 102 HG1 THR 102 -3.124 -3.368 -2.206 866 HG21 THR 102 HG21 THR 102 -0.104 -4.858 -1.259 867 HG22 THR 102 HG22 THR 102 0.390 -3.999 -2.710 868 HG23 THR 102 HG23 THR 102 0.159 -5.742 -2.744 869 H GLU 103 HN GLU 103 0.183 -5.159 -5.574 870 HA GLU 103 HA GLU 103 -0.884 -7.866 -6.166 871 HB2 GLU 103 HB2 GLU 103 -1.419 -6.283 -7.967 872 HB3 GLU 103 HB3 GLU 103 0.256 -5.840 -8.122 873 HG2 GLU 103 HG2 GLU 103 0.806 -8.222 -8.791 874 HG3 GLU 103 HG3 GLU 103 -0.890 -8.628 -8.662 875 H LEU 104 HN LEU 104 0.451 -9.472 -5.896 876 HA LEU 104 HA LEU 104 3.266 -9.015 -5.120 877 HB2 LEU 104 HB2 LEU 104 1.746 -10.190 -3.573 878 HB3 LEU 104 HB3 LEU 104 1.267 -11.290 -4.822 879 HG LEU 104 HG LEU 104 3.688 -12.179 -4.865 880 HD11 LEU 104 HD11 LEU 104 4.848 -11.762 -2.548 881 HD12 LEU 104 HD12 LEU 104 3.891 -10.297 -2.499 882 HD13 LEU 104 HD13 LEU 104 5.042 -10.557 -3.812 883 HD21 LEU 104 HD21 LEU 104 1.876 -12.505 -2.460 884 HD22 LEU 104 HD22 LEU 104 3.317 -13.490 -2.731 885 HD23 LEU 104 HD23 LEU 104 2.000 -13.526 -3.885 886 H ASN 105 HN ASN 105 4.349 -8.774 -7.114 887 HA ASN 105 HA ASN 105 4.226 -10.984 -9.098 888 HB2 ASN 105 HB2 ASN 105 5.703 -8.298 -9.093 889 HB3 ASN 105 HB3 ASN 105 5.835 -9.495 -10.355 890 HD21 ASN 105 HD21 ASN 105 2.709 -10.019 -9.894 891 HD22 ASN 105 HD22 ASN 105 2.012 -8.736 -10.850 892 H GLY 106 HN GLY 106 4.927 -12.460 -7.366 893 HA2 GLY 106 HA2 GLY 106 6.515 -13.935 -6.649 894 HA3 GLY 106 HA1 GLY 106 7.758 -13.056 -7.525 895 H ASP 107 HN ASP 107 8.835 -11.320 -6.506 896 HA ASP 107 HA ASP 107 8.590 -11.053 -3.547 897 HB2 ASP 107 HB2 ASP 107 11.125 -10.617 -5.183 898 HB3 ASP 107 HB3 ASP 107 11.005 -10.699 -3.466 899 H ILE 108 HN ILE 108 7.834 -9.386 -6.342 900 HA ILE 108 HA ILE 108 8.653 -6.715 -5.270 901 HB ILE 108 HB ILE 108 7.631 -7.418 -8.054 902 HG12 ILE 108 HG12 ILE 108 9.677 -8.662 -7.868 903 HG13 ILE 108 HG13 ILE 108 9.891 -7.317 -8.931 904 HG21 ILE 108 HG21 ILE 108 7.360 -5.027 -7.507 905 HG22 ILE 108 HG22 ILE 108 9.053 -4.913 -7.046 906 HG23 ILE 108 HG23 ILE 108 8.607 -5.233 -8.718 907 HD11 ILE 108 HD11 ILE 108 11.855 -7.671 -7.415 908 HD12 ILE 108 HD12 ILE 108 11.160 -6.072 -7.197 909 HD13 ILE 108 HD13 ILE 108 10.847 -7.344 -6.016 910 H ILE 109 HN ILE 109 7.092 -5.389 -4.524 911 HA ILE 109 HA ILE 109 4.232 -6.169 -4.822 912 HB ILE 109 HB ILE 109 5.615 -4.380 -2.786 913 HG12 ILE 109 HG12 ILE 109 6.116 -6.663 -2.346 914 HG13 ILE 109 HG13 ILE 109 5.046 -6.058 -1.121 915 HG21 ILE 109 HG21 ILE 109 2.641 -5.037 -3.019 916 HG22 ILE 109 HG22 ILE 109 3.392 -4.322 -1.596 917 HG23 ILE 109 HG23 ILE 109 3.374 -3.443 -3.103 918 HD11 ILE 109 HD11 ILE 109 3.149 -7.237 -2.664 919 HD12 ILE 109 HD12 ILE 109 4.545 -8.128 -3.265 920 HD13 ILE 109 HD13 ILE 109 4.132 -8.176 -1.552 921 H THR 110 HN THR 110 3.210 -5.093 -6.361 922 HA THR 110 HA THR 110 3.792 -2.213 -6.888 923 HB THR 110 HB THR 110 2.036 -4.280 -8.306 924 HG1 THR 110 HG1 THR 110 4.197 -4.349 -8.804 925 HG21 THR 110 HG21 THR 110 0.774 -2.161 -8.503 926 HG22 THR 110 HG22 THR 110 1.588 -2.468 -10.020 927 HG23 THR 110 HG23 THR 110 2.246 -1.277 -8.901 928 H ASN 111 HN ASN 111 2.476 -0.734 -5.993 929 HA ASN 111 HA ASN 111 -0.255 -1.481 -5.178 930 HB2 ASN 111 HB2 ASN 111 1.760 0.358 -3.876 931 HB3 ASN 111 HB3 ASN 111 0.103 0.910 -3.888 932 HD21 ASN 111 HD21 ASN 111 -1.557 -0.267 -2.795 933 HD22 ASN 111 HD22 ASN 111 -1.151 -1.428 -1.559 934 H THR 112 HN THR 112 -1.827 -0.288 -6.263 935 HA THR 112 HA THR 112 -1.055 2.063 -7.927 936 HB THR 112 HB THR 112 -2.787 -0.308 -8.823 937 HG1 THR 112 HG1 THR 112 -0.561 -0.601 -9.008 938 HG21 THR 112 HG21 THR 112 -2.976 0.914 -11.010 939 HG22 THR 112 HG22 THR 112 -2.202 2.323 -10.292 940 HG23 THR 112 HG23 THR 112 -3.788 1.799 -9.734 941 H MET 113 HN MET 113 -2.190 3.709 -7.130 942 HA MET 113 HA MET 113 -4.827 3.198 -5.890 943 HB2 MET 113 HB2 MET 113 -3.020 5.387 -4.853 944 HB3 MET 113 HB3 MET 113 -4.305 4.570 -4.050 945 HG2 MET 113 HG2 MET 113 -1.568 3.312 -4.657 946 HG3 MET 113 HG3 MET 113 -1.992 4.085 -3.170 947 HE1 MET 113 HE1 MET 113 -4.648 3.208 -2.070 948 HE2 MET 113 HE2 MET 113 -4.137 1.760 -1.189 949 HE3 MET 113 HE3 MET 113 -3.090 3.175 -1.234 950 H THR 114 HN THR 114 -6.467 4.459 -6.787 951 HA THR 114 HA THR 114 -5.637 6.887 -8.338 952 HB THR 114 HB THR 114 -7.727 4.825 -9.169 953 HG1 THR 114 HG1 THR 114 -5.284 5.537 -10.373 954 HG21 THR 114 HG21 THR 114 -6.855 7.405 -10.569 955 HG22 THR 114 HG22 THR 114 -8.464 7.064 -9.948 956 HG23 THR 114 HG23 THR 114 -7.839 6.142 -11.300 957 H LEU 115 HN LEU 115 -6.467 8.657 -7.558 958 HA LEU 115 HA LEU 115 -9.168 8.666 -6.292 959 HB2 LEU 115 HB2 LEU 115 -7.343 8.941 -4.632 960 HB3 LEU 115 HB3 LEU 115 -6.642 10.223 -5.560 961 HG LEU 115 HG LEU 115 -8.631 11.650 -5.187 962 HD11 LEU 115 HD11 LEU 115 -10.080 10.503 -3.061 963 HD12 LEU 115 HD12 LEU 115 -9.885 9.180 -4.188 964 HD13 LEU 115 HD13 LEU 115 -10.616 10.685 -4.719 965 HD21 LEU 115 HD21 LEU 115 -8.104 11.172 -2.364 966 HD22 LEU 115 HD22 LEU 115 -7.575 12.479 -3.406 967 HD23 LEU 115 HD23 LEU 115 -6.630 11.008 -3.289 968 H GLY 116 HN GLY 116 -10.245 9.191 -8.154 969 HA2 GLY 116 HA2 GLY 116 -11.148 10.547 -9.749 970 HA3 GLY 116 HA1 GLY 116 -10.319 11.913 -9.018 971 H ASP 117 HN ASP 117 -9.067 12.914 -10.513 972 HA ASP 117 HA ASP 117 -8.092 11.661 -12.895 973 HB2 ASP 117 HB2 ASP 117 -8.876 14.152 -12.490 974 HB3 ASP 117 HB3 ASP 117 -7.279 14.396 -11.822 975 H ILE 118 HN ILE 118 -6.731 11.945 -9.689 976 HA ILE 118 HA ILE 118 -3.933 11.861 -10.560 977 HB ILE 118 HB ILE 118 -5.125 11.410 -7.782 978 HG12 ILE 118 HG12 ILE 118 -5.790 13.608 -8.389 979 HG13 ILE 118 HG13 ILE 118 -4.508 13.719 -7.234 980 HG21 ILE 118 HG21 ILE 118 -2.241 11.946 -8.628 981 HG22 ILE 118 HG22 ILE 118 -2.835 12.033 -6.981 982 HG23 ILE 118 HG23 ILE 118 -2.862 10.507 -7.829 983 HD11 ILE 118 HD11 ILE 118 -3.882 15.368 -8.796 984 HD12 ILE 118 HD12 ILE 118 -2.952 14.015 -9.422 985 HD13 ILE 118 HD13 ILE 118 -4.481 14.451 -10.173 986 H VAL 119 HN VAL 119 -2.923 10.020 -11.137 987 HA VAL 119 HA VAL 119 -3.854 7.377 -10.074 988 HB VAL 119 HB VAL 119 -2.359 8.012 -12.659 989 HG11 VAL 119 HG11 VAL 119 -3.243 5.302 -11.548 990 HG12 VAL 119 HG12 VAL 119 -2.622 5.572 -13.172 991 HG13 VAL 119 HG13 VAL 119 -1.580 5.817 -11.790 992 HG21 VAL 119 HG21 VAL 119 -5.203 6.983 -12.282 993 HG22 VAL 119 HG22 VAL 119 -4.756 8.582 -12.868 994 HG23 VAL 119 HG23 VAL 119 -4.370 7.163 -13.822 995 H PHE 120 HN PHE 120 -2.687 7.375 -8.208 996 HA PHE 120 HA PHE 120 0.189 7.884 -8.167 997 HB2 PHE 120 HB2 PHE 120 -1.194 8.597 -6.310 998 HB3 PHE 120 HB3 PHE 120 -1.828 7.011 -6.061 999 HD1 PHE 120 HD1 PHE 120 1.568 8.682 -6.215 1000 HD2 PHE 120 HD2 PHE 120 -0.979 5.857 -4.202 1001 HE1 PHE 120 HE1 PHE 120 3.331 8.238 -4.550 1002 HE2 PHE 120 HE2 PHE 120 0.767 5.496 -2.516 1003 HZ PHE 120 HZ PHE 120 2.917 6.705 -2.682 1004 H LYS 121 HN LYS 121 1.759 6.296 -7.871 1005 HA LYS 121 HA LYS 121 0.942 3.466 -7.723 1006 HB2 LYS 121 HB2 LYS 121 1.401 4.083 -10.156 1007 HB3 LYS 121 HB3 LYS 121 3.042 4.478 -9.702 1008 HG2 LYS 121 HG2 LYS 121 3.356 2.070 -8.960 1009 HG3 LYS 121 HG3 LYS 121 1.705 1.741 -9.427 1010 HD2 LYS 121 HD2 LYS 121 2.293 2.400 -11.792 1011 HD3 LYS 121 HD3 LYS 121 3.941 2.671 -11.284 1012 HE2 LYS 121 HE2 LYS 121 4.095 0.243 -10.561 1013 HE3 LYS 121 HE3 LYS 121 2.459 -0.010 -11.144 1014 HZ1 LYS 121 HZ1 LYS 121 4.733 0.867 -12.779 1015 HZ2 LYS 121 HZ2 LYS 121 3.197 0.628 -13.325 1016 HZ3 LYS 121 HZ3 LYS 121 4.075 -0.647 -12.756 1017 H ARG 122 HN ARG 122 2.560 2.145 -6.862 1018 HA ARG 122 HA ARG 122 4.891 3.346 -5.517 1019 HB2 ARG 122 HB2 ARG 122 2.333 2.416 -4.298 1020 HB3 ARG 122 HB3 ARG 122 3.710 1.647 -3.576 1021 HG2 ARG 122 HG2 ARG 122 3.699 4.700 -3.885 1022 HG3 ARG 122 HG3 ARG 122 2.694 3.892 -2.726 1023 HD2 ARG 122 HD2 ARG 122 5.550 3.122 -2.729 1024 HD3 ARG 122 HD3 ARG 122 5.144 4.613 -1.919 1025 HE ARG 122 HE ARG 122 4.706 1.807 -1.220 1026 HH11 ARG 122 HH11 ARG 122 3.200 4.988 -0.675 1027 HH12 ARG 122 HH12 ARG 122 2.320 4.461 0.735 1028 HH21 ARG 122 HH21 ARG 122 3.631 1.175 0.690 1029 HH22 ARG 122 HH22 ARG 122 2.545 2.275 1.487 1030 H ILE 123 HN ILE 123 6.571 2.003 -5.764 1031 HA ILE 123 HA ILE 123 6.139 -0.877 -6.448 1032 HB ILE 123 HB ILE 123 8.207 1.073 -7.564 1033 HG12 ILE 123 HG12 ILE 123 6.198 -0.453 -9.248 1034 HG13 ILE 123 HG13 ILE 123 5.766 1.075 -8.556 1035 HG21 ILE 123 HG21 ILE 123 9.263 -1.162 -7.272 1036 HG22 ILE 123 HG22 ILE 123 7.924 -1.920 -8.121 1037 HG23 ILE 123 HG23 ILE 123 9.021 -0.839 -8.969 1038 HD11 ILE 123 HD11 ILE 123 6.669 1.209 -10.924 1039 HD12 ILE 123 HD12 ILE 123 7.385 2.316 -9.761 1040 HD13 ILE 123 HD13 ILE 123 8.268 0.878 -10.270 1041 H SER 124 HN SER 124 6.970 -2.077 -4.863 1042 HA SER 124 HA SER 124 9.394 -1.189 -3.386 1043 HB2 SER 124 HB2 SER 124 6.803 -2.377 -2.222 1044 HB3 SER 124 HB3 SER 124 8.310 -2.210 -1.335 1045 HG SER 124 HG SER 124 6.854 -0.094 -2.482 1046 H LYS 125 HN LYS 125 10.684 -2.954 -2.592 1047 HA LYS 125 HA LYS 125 10.254 -5.586 -3.915 1048 HB2 LYS 125 HB2 LYS 125 11.548 -4.317 -5.466 1049 HB3 LYS 125 HB3 LYS 125 12.571 -3.655 -4.234 1050 HG2 LYS 125 HG2 LYS 125 12.644 -6.640 -4.614 1051 HG3 LYS 125 HG3 LYS 125 13.365 -5.634 -5.833 1052 HD2 LYS 125 HD2 LYS 125 14.804 -4.517 -4.132 1053 HD3 LYS 125 HD3 LYS 125 14.137 -5.508 -2.872 1054 HE2 LYS 125 HE2 LYS 125 15.713 -6.555 -5.279 1055 HE3 LYS 125 HE3 LYS 125 16.335 -6.355 -3.652 1056 HZ1 LYS 125 HZ1 LYS 125 14.158 -8.158 -4.421 1057 HZ2 LYS 125 HZ2 LYS 125 14.713 -7.936 -2.884 1058 HZ3 LYS 125 HZ3 LYS 125 15.700 -8.590 -4.035 1059 H ARG 126 HN ARG 126 10.912 -7.318 -2.790 1060 HA ARG 126 HA ARG 126 10.961 -7.057 -0.047 1061 HB2 ARG 126 HB2 ARG 126 10.018 -8.921 -1.285 1062 HB3 ARG 126 HB3 ARG 126 11.588 -9.507 -1.734 1063 HG2 ARG 126 HG2 ARG 126 12.033 -10.324 0.527 1064 HG3 ARG 126 HG3 ARG 126 10.976 -9.113 1.153 1065 HD2 ARG 126 HD2 ARG 126 10.071 -11.419 1.379 1066 HD3 ARG 126 HD3 ARG 126 8.979 -10.171 0.843 1067 HE ARG 126 HE ARG 126 10.348 -11.799 -1.238 1068 HH11 ARG 126 HH11 ARG 126 7.488 -11.704 0.916 1069 HH12 ARG 126 HH12 ARG 126 6.643 -12.924 0.015 1070 HH21 ARG 126 HH21 ARG 126 9.173 -13.334 -2.418 1071 HH22 ARG 126 HH22 ARG 126 7.563 -13.803 -1.914 1072 H ILE 127 HN ILE 127 12.387 -6.868 1.482 1073 HA ILE 127 HA ILE 127 15.325 -7.175 0.981 1074 HB ILE 127 HB ILE 127 15.539 -5.634 2.938 1075 HG12 ILE 127 HG12 ILE 127 12.596 -4.945 2.578 1076 HG13 ILE 127 HG13 ILE 127 13.179 -5.935 3.885 1077 HG21 ILE 127 HG21 ILE 127 15.243 -3.572 1.682 1078 HG22 ILE 127 HG22 ILE 127 15.779 -4.833 0.590 1079 HG23 ILE 127 HG23 ILE 127 14.090 -4.342 0.592 1080 HD11 ILE 127 HD11 ILE 127 13.347 -2.984 3.543 1081 HD12 ILE 127 HD12 ILE 127 13.269 -3.939 5.015 1082 HD13 ILE 127 HD13 ILE 127 14.809 -3.716 4.200 Start of MODEL 8 1 H1 HIS -7 HN HIS -7 11.900 -21.432 8.330 2 HA HIS -7 HA HIS -7 9.444 -20.092 8.827 3 HB2 HIS -7 HB2 HIS -7 12.227 -18.760 8.251 4 HB3 HIS -7 HB3 HIS -7 10.810 -18.008 7.584 5 HD1 HIS -7 HD1 HIS -7 9.058 -16.902 9.135 6 HD2 HIS -7 HD2 HIS -7 12.585 -18.135 11.098 7 HE1 HIS -7 HE1 HIS -7 9.159 -15.759 11.389 8 H HIS -6 HN HIS -6 12.063 -20.942 6.562 9 HA HIS -6 HA HIS -6 9.990 -21.265 4.437 10 HB2 HIS -6 HB2 HIS -6 12.865 -20.289 4.063 11 HB3 HIS -6 HB3 HIS -6 11.648 -20.452 2.831 12 HD1 HIS -6 HD1 HIS -6 13.327 -17.828 3.883 13 HD2 HIS -6 HD2 HIS -6 9.205 -18.583 4.368 14 HE1 HIS -6 HE1 HIS -6 12.151 -15.623 4.268 15 H HIS -5 HN HIS -5 13.239 -22.165 5.645 16 HA HIS -5 HA HIS -5 14.556 -23.892 5.500 17 HB2 HIS -5 HB2 HIS -5 11.901 -25.311 5.552 18 HB3 HIS -5 HB3 HIS -5 13.257 -26.254 5.011 19 HD1 HIS -5 HD1 HIS -5 15.281 -26.643 6.633 20 HD2 HIS -5 HD2 HIS -5 11.936 -24.782 8.410 21 HE1 HIS -5 HE1 HIS -5 15.539 -26.772 9.147 22 H HIS -4 HN HIS -4 12.428 -25.361 3.035 23 HA HIS -4 HA HIS -4 14.588 -25.419 1.146 24 HB2 HIS -4 HB2 HIS -4 12.616 -27.102 1.421 25 HB3 HIS -4 HB3 HIS -4 11.642 -25.957 0.535 26 HD1 HIS -4 HD1 HIS -4 11.427 -27.068 -1.754 27 HD2 HIS -4 HD2 HIS -4 15.415 -27.172 -0.370 28 HE1 HIS -4 HE1 HIS -4 12.889 -28.021 -3.586 29 H HIS -3 HN HIS -3 14.663 -24.407 -0.889 30 HA HIS -3 HA HIS -3 14.234 -21.603 -0.622 31 HB2 HIS -3 HB2 HIS -3 15.479 -23.091 -2.963 32 HB3 HIS -3 HB3 HIS -3 15.796 -21.448 -2.465 33 HD1 HIS -3 HD1 HIS -3 16.446 -21.709 0.517 34 HD2 HIS -3 HD2 HIS -3 17.737 -24.595 -2.278 35 HE1 HIS -3 HE1 HIS -3 18.355 -23.010 1.539 36 H HIS -2 HN HIS -2 12.023 -23.752 -1.703 37 HA HIS -2 HA HIS -2 10.765 -22.300 -3.872 38 HB2 HIS -2 HB2 HIS -2 10.346 -24.689 -3.570 39 HB3 HIS -2 HB3 HIS -2 9.890 -24.468 -1.904 40 HD1 HIS -2 HD1 HIS -2 8.570 -22.954 -5.215 41 HD2 HIS -2 HD2 HIS -2 7.135 -24.736 -1.667 42 HE1 HIS -2 HE1 HIS -2 6.045 -22.987 -5.302 43 H VAL -1 HN VAL -1 9.227 -20.711 -3.748 44 HA VAL -1 HA VAL -1 8.157 -19.845 -1.123 45 HB VAL -1 HB VAL -1 9.379 -18.023 -3.258 46 HG11 VAL -1 HG11 VAL -1 8.864 -16.159 -1.564 47 HG12 VAL -1 HG12 VAL -1 7.498 -16.781 -2.458 48 HG13 VAL -1 HG13 VAL -1 7.764 -17.282 -0.784 49 HG21 VAL -1 HG21 VAL -1 10.932 -17.269 -1.455 50 HG22 VAL -1 HG22 VAL -1 10.289 -18.517 -0.392 51 HG23 VAL -1 HG23 VAL -1 11.159 -18.955 -1.860 52 H ALA 0 HN ALA 0 6.040 -19.298 -1.213 53 HA ALA 0 HA ALA 0 4.528 -19.799 -3.699 54 HB1 ALA 0 HB1 ALA 0 3.657 -19.396 -0.781 55 HB2 ALA 0 HB2 ALA 0 2.618 -19.930 -2.100 56 HB3 ALA 0 HB3 ALA 0 3.932 -20.954 -1.553 57 H MET 1 HN MET 1 2.404 -18.374 -3.768 58 HA MET 1 HA MET 1 3.143 -15.544 -3.933 59 HB2 MET 1 HB2 MET 1 0.504 -16.886 -4.615 60 HB3 MET 1 HB3 MET 1 0.966 -15.263 -5.028 61 HG2 MET 1 HG2 MET 1 2.057 -17.862 -6.152 62 HG3 MET 1 HG3 MET 1 1.250 -16.581 -7.009 63 HE1 MET 1 HE1 MET 1 2.502 -14.371 -7.953 64 HE2 MET 1 HE2 MET 1 2.614 -13.923 -6.241 65 HE3 MET 1 HE3 MET 1 4.034 -13.820 -7.290 66 H SER 2 HN SER 2 3.437 -16.283 -1.399 67 HA SER 2 HA SER 2 1.207 -15.352 0.254 68 HB2 SER 2 HB2 SER 2 4.127 -16.150 0.815 69 HB3 SER 2 HB3 SER 2 3.002 -15.614 2.049 70 HG SER 2 HG SER 2 1.690 -17.351 1.625 71 H PHE 3 HN PHE 3 0.832 -13.210 0.464 72 HA PHE 3 HA PHE 3 2.500 -11.114 -0.493 73 HB2 PHE 3 HB2 PHE 3 0.100 -11.269 1.356 74 HB3 PHE 3 HB3 PHE 3 0.887 -9.754 1.077 75 HD1 PHE 3 HD1 PHE 3 0.673 -8.507 -0.986 76 HD2 PHE 3 HD2 PHE 3 -1.060 -12.446 -0.610 77 HE1 PHE 3 HE1 PHE 3 -0.736 -8.103 -2.970 78 HE2 PHE 3 HE2 PHE 3 -2.441 -12.006 -2.597 79 HZ PHE 3 HZ PHE 3 -2.326 -9.819 -3.724 80 H SER 4 HN SER 4 2.505 -12.817 2.564 81 HA SER 4 HA SER 4 3.484 -10.957 4.314 82 HB2 SER 4 HB2 SER 4 4.081 -12.899 5.701 83 HB3 SER 4 HB3 SER 4 2.525 -13.129 4.940 84 HG SER 4 HG SER 4 4.997 -14.202 4.041 85 H GLY 5 HN GLY 5 5.388 -9.989 4.764 86 HA2 GLY 5 HA2 GLY 5 7.958 -10.810 4.742 87 HA3 GLY 5 HA1 GLY 5 7.723 -10.450 3.032 88 H LYS 6 HN LYS 6 9.511 -8.900 3.797 89 HA LYS 6 HA LYS 6 8.380 -6.209 4.454 90 HB2 LYS 6 HB2 LYS 6 11.122 -7.474 4.947 91 HB3 LYS 6 HB3 LYS 6 10.895 -5.744 4.903 92 HG2 LYS 6 HG2 LYS 6 9.520 -5.623 6.723 93 HG3 LYS 6 HG3 LYS 6 9.168 -7.327 6.789 94 HD2 LYS 6 HD2 LYS 6 11.973 -6.178 7.220 95 HD3 LYS 6 HD3 LYS 6 10.840 -6.332 8.528 96 HE2 LYS 6 HE2 LYS 6 11.844 -8.683 6.820 97 HE3 LYS 6 HE3 LYS 6 12.461 -8.249 8.400 98 HZ1 LYS 6 HZ1 LYS 6 9.697 -9.036 7.835 99 HZ2 LYS 6 HZ2 LYS 6 10.293 -8.621 9.315 100 HZ3 LYS 6 HZ3 LYS 6 10.851 -9.971 8.551 101 H TYR 7 HN TYR 7 8.778 -4.605 2.955 102 HA TYR 7 HA TYR 7 10.424 -5.195 0.564 103 HB2 TYR 7 HB2 TYR 7 7.526 -4.214 0.403 104 HB3 TYR 7 HB3 TYR 7 8.582 -4.599 -0.926 105 HD1 TYR 7 HD1 TYR 7 8.946 -6.947 -1.609 106 HD2 TYR 7 HD2 TYR 7 6.400 -5.947 1.731 107 HE1 TYR 7 HE1 TYR 7 8.044 -9.255 -1.602 108 HE2 TYR 7 HE2 TYR 7 5.494 -8.243 1.730 109 HH TYR 7 HH TYR 7 5.490 -10.301 0.684 110 H GLN 8 HN GLN 8 11.859 -3.514 0.474 111 HA GLN 8 HA GLN 8 11.198 -0.863 1.517 112 HB2 GLN 8 HB2 GLN 8 13.519 -1.852 1.638 113 HB3 GLN 8 HB3 GLN 8 13.612 -1.748 -0.097 114 HG2 GLN 8 HG2 GLN 8 13.067 0.864 0.304 115 HG3 GLN 8 HG3 GLN 8 13.469 0.524 1.956 116 HE21 GLN 8 HE21 GLN 8 14.626 0.632 -1.403 117 HE22 GLN 8 HE22 GLN 8 16.328 0.715 -1.024 118 H LEU 9 HN LEU 9 10.596 0.895 0.348 119 HA LEU 9 HA LEU 9 9.465 0.756 -2.236 120 HB2 LEU 9 HB2 LEU 9 8.834 2.256 -0.420 121 HB3 LEU 9 HB3 LEU 9 10.327 3.128 -0.510 122 HG LEU 9 HG LEU 9 8.516 2.917 -2.934 123 HD11 LEU 9 HD11 LEU 9 7.296 3.802 -0.722 124 HD12 LEU 9 HD12 LEU 9 7.025 4.536 -2.292 125 HD13 LEU 9 HD13 LEU 9 8.107 5.297 -1.139 126 HD21 LEU 9 HD21 LEU 9 10.963 4.413 -2.388 127 HD22 LEU 9 HD22 LEU 9 9.672 5.541 -2.741 128 HD23 LEU 9 HD23 LEU 9 10.056 4.278 -3.884 129 H GLN 10 HN GLN 10 10.271 0.911 -4.196 130 HA GLN 10 HA GLN 10 13.162 1.439 -4.646 131 HB2 GLN 10 HB2 GLN 10 11.031 0.120 -6.423 132 HB3 GLN 10 HB3 GLN 10 12.720 0.250 -6.795 133 HG2 GLN 10 HG2 GLN 10 11.519 -1.392 -4.509 134 HG3 GLN 10 HG3 GLN 10 12.113 -2.011 -6.024 135 HE21 GLN 10 HE21 GLN 10 12.948 -1.557 -2.812 136 HE22 GLN 10 HE22 GLN 10 14.684 -1.653 -2.976 137 H SER 11 HN SER 11 9.861 2.248 -5.804 138 HA SER 11 HA SER 11 10.679 4.876 -6.748 139 HB2 SER 11 HB2 SER 11 10.117 2.541 -8.628 140 HB3 SER 11 HB3 SER 11 9.454 4.099 -9.065 141 HG SER 11 HG SER 11 12.168 3.621 -8.471 142 H GLN 12 HN GLN 12 8.822 6.114 -7.562 143 HA GLN 12 HA GLN 12 6.181 5.179 -7.083 144 HB2 GLN 12 HB2 GLN 12 5.553 6.809 -5.320 145 HB3 GLN 12 HB3 GLN 12 6.691 5.625 -4.754 146 HG2 GLN 12 HG2 GLN 12 8.555 7.357 -5.092 147 HG3 GLN 12 HG3 GLN 12 7.322 8.536 -5.481 148 HE21 GLN 12 HE21 GLN 12 8.928 9.218 -3.453 149 HE22 GLN 12 HE22 GLN 12 8.145 9.021 -1.910 150 H GLU 13 HN GLU 13 4.546 6.722 -7.690 151 HA GLU 13 HA GLU 13 5.464 8.686 -9.722 152 HB2 GLU 13 HB2 GLU 13 5.089 6.020 -10.319 153 HB3 GLU 13 HB3 GLU 13 3.441 6.548 -10.428 154 HG2 GLU 13 HG2 GLU 13 4.052 8.230 -12.156 155 HG3 GLU 13 HG3 GLU 13 5.743 7.786 -12.010 156 H ASN 14 HN ASN 14 3.899 10.288 -10.151 157 HA ASN 14 HA ASN 14 2.432 11.775 -9.611 158 HB2 ASN 14 HB2 ASN 14 0.755 9.268 -9.601 159 HB3 ASN 14 HB3 ASN 14 -0.033 10.631 -8.891 160 HD21 ASN 14 HD21 ASN 14 0.305 9.091 -11.785 161 HD22 ASN 14 HD22 ASN 14 -0.127 10.425 -12.823 162 H PHE 15 HN PHE 15 4.225 10.955 -7.476 163 HA PHE 15 HA PHE 15 2.956 10.629 -5.007 164 HB2 PHE 15 HB2 PHE 15 5.238 10.004 -5.254 165 HB3 PHE 15 HB3 PHE 15 5.737 11.605 -5.717 166 HD1 PHE 15 HD1 PHE 15 4.654 9.457 -2.876 167 HD2 PHE 15 HD2 PHE 15 6.012 13.396 -3.996 168 HE1 PHE 15 HE1 PHE 15 5.009 10.026 -0.513 169 HE2 PHE 15 HE2 PHE 15 6.287 13.946 -1.622 170 HZ PHE 15 HZ PHE 15 5.826 12.266 0.118 171 H GLU 16 HN GLU 16 4.298 13.711 -6.314 172 HA GLU 16 HA GLU 16 3.423 15.294 -4.187 173 HB2 GLU 16 HB2 GLU 16 3.661 16.550 -6.925 174 HB3 GLU 16 HB3 GLU 16 4.146 17.146 -5.378 175 HG2 GLU 16 HG2 GLU 16 6.183 16.747 -6.432 176 HG3 GLU 16 HG3 GLU 16 6.034 15.345 -5.408 177 H ALA 17 HN ALA 17 1.778 14.462 -7.240 178 HA ALA 17 HA ALA 17 -0.450 16.209 -7.013 179 HB1 ALA 17 HB1 ALA 17 -1.426 14.688 -8.758 180 HB2 ALA 17 HB2 ALA 17 0.228 15.143 -9.144 181 HB3 ALA 17 HB3 ALA 17 -0.114 13.543 -8.493 182 H PHE 18 HN PHE 18 0.097 12.855 -5.857 183 HA PHE 18 HA PHE 18 -2.613 12.539 -4.885 184 HB2 PHE 18 HB2 PHE 18 -1.331 10.699 -5.797 185 HB3 PHE 18 HB3 PHE 18 -0.109 10.834 -4.565 186 HD1 PHE 18 HD1 PHE 18 -0.481 9.889 -2.320 187 HD2 PHE 18 HD2 PHE 18 -3.701 10.001 -5.189 188 HE1 PHE 18 HE1 PHE 18 -1.870 8.487 -0.844 189 HE2 PHE 18 HE2 PHE 18 -5.056 8.590 -3.694 190 HZ PHE 18 HZ PHE 18 -4.143 7.839 -1.531 191 H MET 19 HN MET 19 0.571 13.245 -3.376 192 HA MET 19 HA MET 19 -0.384 13.185 -0.721 193 HB2 MET 19 HB2 MET 19 2.076 13.141 -1.778 194 HB3 MET 19 HB3 MET 19 2.020 14.830 -1.494 195 HG2 MET 19 HG2 MET 19 2.776 14.187 0.612 196 HG3 MET 19 HG3 MET 19 1.114 13.812 0.955 197 HE1 MET 19 HE1 MET 19 0.260 11.066 0.005 198 HE2 MET 19 HE2 MET 19 1.383 11.025 -1.364 199 HE3 MET 19 HE3 MET 19 1.470 9.790 -0.115 200 H LYS 20 HN LYS 20 -0.457 15.682 -3.199 201 HA LYS 20 HA LYS 20 -1.355 17.860 -1.525 202 HB2 LYS 20 HB2 LYS 20 -0.219 18.159 -3.692 203 HB3 LYS 20 HB3 LYS 20 -1.495 17.305 -4.518 204 HG2 LYS 20 HG2 LYS 20 -3.074 19.225 -3.665 205 HG3 LYS 20 HG3 LYS 20 -1.608 20.056 -3.231 206 HD2 LYS 20 HD2 LYS 20 -2.457 19.128 -6.013 207 HD3 LYS 20 HD3 LYS 20 -2.415 20.769 -5.436 208 HE2 LYS 20 HE2 LYS 20 0.105 20.620 -5.230 209 HE3 LYS 20 HE3 LYS 20 0.047 18.992 -5.887 210 HZ1 LYS 20 HZ1 LYS 20 -0.942 19.872 -7.868 211 HZ2 LYS 20 HZ2 LYS 20 0.513 20.583 -7.562 212 HZ3 LYS 20 HZ3 LYS 20 -0.883 21.405 -7.262 213 H ALA 21 HN ALA 21 -2.965 15.391 -3.620 214 HA ALA 21 HA ALA 21 -5.584 16.379 -3.359 215 HB1 ALA 21 HB1 ALA 21 -4.872 14.932 -5.220 216 HB2 ALA 21 HB2 ALA 21 -4.598 13.583 -4.119 217 HB3 ALA 21 HB3 ALA 21 -6.226 14.189 -4.387 218 H ILE 22 HN ILE 22 -3.841 14.045 -1.275 219 HA ILE 22 HA ILE 22 -6.213 13.300 0.229 220 HB ILE 22 HB ILE 22 -4.624 12.282 1.817 221 HG12 ILE 22 HG12 ILE 22 -2.397 13.222 0.003 222 HG13 ILE 22 HG13 ILE 22 -2.726 13.942 1.538 223 HG21 ILE 22 HG21 ILE 22 -3.905 10.453 0.379 224 HG22 ILE 22 HG22 ILE 22 -5.472 11.025 -0.151 225 HG23 ILE 22 HG23 ILE 22 -4.033 11.464 -1.055 226 HD11 ILE 22 HD11 ILE 22 -1.840 11.051 1.163 227 HD12 ILE 22 HD12 ILE 22 -0.885 12.386 1.791 228 HD13 ILE 22 HD13 ILE 22 -2.271 11.812 2.701 229 H GLY 23 HN GLY 23 -4.151 16.096 0.294 230 HA2 GLY 23 HA2 GLY 23 -4.669 18.016 1.471 231 HA3 GLY 23 HA1 GLY 23 -5.609 17.132 2.647 232 H LEU 24 HN LEU 24 -2.326 15.922 1.900 233 HA LEU 24 HA LEU 24 -1.305 16.641 4.511 234 HB2 LEU 24 HB2 LEU 24 -0.478 14.932 2.249 235 HB3 LEU 24 HB3 LEU 24 0.847 15.921 2.759 236 HG LEU 24 HG LEU 24 0.484 15.137 5.112 237 HD11 LEU 24 HD11 LEU 24 -1.904 13.910 3.987 238 HD12 LEU 24 HD12 LEU 24 -1.417 14.058 5.667 239 HD13 LEU 24 HD13 LEU 24 -0.907 12.671 4.724 240 HD21 LEU 24 HD21 LEU 24 1.972 13.442 4.841 241 HD22 LEU 24 HD22 LEU 24 2.029 14.022 3.192 242 HD23 LEU 24 HD23 LEU 24 1.046 12.625 3.590 243 HA PRO 25 HA PRO 25 0.062 20.748 3.201 244 HB2 PRO 25 HB2 PRO 25 1.965 21.289 5.116 245 HB3 PRO 25 HB3 PRO 25 0.249 21.198 5.481 246 HG2 PRO 25 HG2 PRO 25 2.306 19.005 5.804 247 HG3 PRO 25 HG3 PRO 25 1.187 19.581 7.035 248 HD2 PRO 25 HD2 PRO 25 0.623 17.386 5.543 249 HD3 PRO 25 HD3 PRO 25 -0.679 18.525 5.919 250 H GLU 26 HN GLU 26 1.655 21.655 1.862 251 HA GLU 26 HA GLU 26 3.279 19.994 0.364 252 HB2 GLU 26 HB2 GLU 26 2.388 22.135 -0.402 253 HB3 GLU 26 HB3 GLU 26 3.424 23.003 0.698 254 HG2 GLU 26 HG2 GLU 26 5.456 22.167 -0.551 255 HG3 GLU 26 HG3 GLU 26 4.421 21.230 -1.606 256 H GLU 27 HN GLU 27 4.143 21.585 3.369 257 HA GLU 27 HA GLU 27 6.933 21.359 3.283 258 HB2 GLU 27 HB2 GLU 27 5.429 22.626 4.931 259 HB3 GLU 27 HB3 GLU 27 5.019 21.111 5.662 260 HG2 GLU 27 HG2 GLU 27 6.649 22.083 7.071 261 HG3 GLU 27 HG3 GLU 27 7.490 20.795 6.263 262 H LEU 28 HN LEU 28 4.456 18.972 4.360 263 HA LEU 28 HA LEU 28 6.370 16.875 4.938 264 HB2 LEU 28 HB2 LEU 28 3.343 17.117 4.865 265 HB3 LEU 28 HB3 LEU 28 4.052 15.542 4.801 266 HG LEU 28 HG LEU 28 5.253 15.854 6.871 267 HD11 LEU 28 HD11 LEU 28 4.136 18.000 8.262 268 HD12 LEU 28 HD12 LEU 28 4.460 18.707 6.697 269 HD13 LEU 28 HD13 LEU 28 5.757 17.937 7.600 270 HD21 LEU 28 HD21 LEU 28 2.459 16.544 7.701 271 HD22 LEU 28 HD22 LEU 28 3.479 15.179 8.145 272 HD23 LEU 28 HD23 LEU 28 2.637 15.189 6.605 273 H ILE 29 HN ILE 29 4.698 17.953 1.996 274 HA ILE 29 HA ILE 29 5.062 15.484 0.540 275 HB ILE 29 HB ILE 29 4.791 18.306 -0.600 276 HG12 ILE 29 HG12 ILE 29 2.616 16.276 0.009 277 HG13 ILE 29 HG13 ILE 29 2.849 17.762 0.827 278 HG21 ILE 29 HG21 ILE 29 5.676 16.710 -2.300 279 HG22 ILE 29 HG22 ILE 29 4.348 15.608 -1.957 280 HG23 ILE 29 HG23 ILE 29 4.050 17.179 -2.691 281 HD11 ILE 29 HD11 ILE 29 1.740 17.330 -1.943 282 HD12 ILE 29 HD12 ILE 29 1.135 18.345 -0.641 283 HD13 ILE 29 HD13 ILE 29 2.521 18.868 -1.590 284 H GLN 30 HN GLN 30 6.870 18.630 0.629 285 HA GLN 30 HA GLN 30 8.956 17.697 -1.081 286 HB2 GLN 30 HB2 GLN 30 8.772 20.122 0.771 287 HB3 GLN 30 HB3 GLN 30 10.060 19.874 -0.368 288 HG2 GLN 30 HG2 GLN 30 7.121 20.352 -1.026 289 HG3 GLN 30 HG3 GLN 30 8.453 21.428 -1.331 290 HE21 GLN 30 HE21 GLN 30 6.327 19.757 -2.998 291 HE22 GLN 30 HE22 GLN 30 7.294 19.147 -4.315 292 H LYS 31 HN LYS 31 8.635 17.629 2.449 293 HA LYS 31 HA LYS 31 11.422 16.773 2.814 294 HB2 LYS 31 HB2 LYS 31 9.079 17.060 4.731 295 HB3 LYS 31 HB3 LYS 31 10.687 16.603 5.220 296 HG2 LYS 31 HG2 LYS 31 11.631 18.743 4.511 297 HG3 LYS 31 HG3 LYS 31 10.151 19.231 3.763 298 HD2 LYS 31 HD2 LYS 31 9.990 20.405 5.744 299 HD3 LYS 31 HD3 LYS 31 9.050 18.998 6.117 300 HE2 LYS 31 HE2 LYS 31 10.420 19.389 8.030 301 HE3 LYS 31 HE3 LYS 31 11.113 17.979 7.252 302 HZ1 LYS 31 HZ1 LYS 31 12.733 19.448 6.239 303 HZ2 LYS 31 HZ2 LYS 31 12.765 19.578 7.884 304 HZ3 LYS 31 HZ3 LYS 31 12.048 20.755 6.976 305 H GLY 32 HN GLY 32 8.510 15.209 1.881 306 HA2 GLY 32 HA2 GLY 32 9.238 12.586 3.121 307 HA3 GLY 32 HA1 GLY 32 7.688 13.074 2.480 308 H LYS 33 HN LYS 33 9.155 14.270 -0.041 309 HA LYS 33 HA LYS 33 8.696 12.044 -1.700 310 HB2 LYS 33 HB2 LYS 33 9.282 13.474 -3.512 311 HB3 LYS 33 HB3 LYS 33 8.449 14.457 -2.353 312 HG2 LYS 33 HG2 LYS 33 10.779 15.229 -1.533 313 HG3 LYS 33 HG3 LYS 33 11.455 14.379 -2.902 314 HD2 LYS 33 HD2 LYS 33 9.984 15.769 -4.432 315 HD3 LYS 33 HD3 LYS 33 9.531 16.723 -3.054 316 HE2 LYS 33 HE2 LYS 33 12.361 16.395 -4.184 317 HE3 LYS 33 HE3 LYS 33 11.364 17.833 -4.272 318 HZ1 LYS 33 HZ1 LYS 33 12.486 16.634 -1.834 319 HZ2 LYS 33 HZ2 LYS 33 11.477 17.940 -1.853 320 HZ3 LYS 33 HZ3 LYS 33 12.964 18.029 -2.561 321 H ASP 34 HN ASP 34 11.736 13.337 -0.407 322 HA ASP 34 HA ASP 34 13.438 11.577 -1.950 323 HB2 ASP 34 HB2 ASP 34 14.256 13.314 0.420 324 HB3 ASP 34 HB3 ASP 34 15.300 12.654 -0.782 325 H ILE 35 HN ILE 35 11.691 11.247 1.029 326 HA ILE 35 HA ILE 35 13.552 9.316 2.222 327 HB ILE 35 HB ILE 35 10.762 10.166 3.119 328 HG12 ILE 35 HG12 ILE 35 12.158 12.120 3.129 329 HG13 ILE 35 HG13 ILE 35 11.787 11.630 4.745 330 HG21 ILE 35 HG21 ILE 35 11.524 9.274 5.371 331 HG22 ILE 35 HG22 ILE 35 11.295 8.024 4.164 332 HG23 ILE 35 HG23 ILE 35 12.917 8.563 4.575 333 HD11 ILE 35 HD11 ILE 35 14.463 11.281 3.297 334 HD12 ILE 35 HD12 ILE 35 14.119 12.309 4.678 335 HD13 ILE 35 HD13 ILE 35 14.136 10.564 4.876 336 H LYS 36 HN LYS 36 13.646 7.573 0.852 337 HA LYS 36 HA LYS 36 11.313 6.074 0.041 338 HB2 LYS 36 HB2 LYS 36 12.880 4.340 -0.612 339 HB3 LYS 36 HB3 LYS 36 13.232 5.865 -1.348 340 HG2 LYS 36 HG2 LYS 36 14.800 4.725 1.030 341 HG3 LYS 36 HG3 LYS 36 15.196 4.460 -0.632 342 HD2 LYS 36 HD2 LYS 36 15.300 7.079 -0.864 343 HD3 LYS 36 HD3 LYS 36 15.274 7.103 0.878 344 HE2 LYS 36 HE2 LYS 36 17.576 7.238 0.191 345 HE3 LYS 36 HE3 LYS 36 17.334 5.682 0.964 346 HZ1 LYS 36 HZ1 LYS 36 17.380 6.179 -1.934 347 HZ2 LYS 36 HZ2 LYS 36 17.155 4.706 -1.224 348 HZ3 LYS 36 HZ3 LYS 36 18.591 5.498 -1.045 349 H GLY 37 HN GLY 37 10.158 4.739 1.203 350 HA2 GLY 37 HA2 GLY 37 10.847 4.250 4.059 351 HA3 GLY 37 HA1 GLY 37 9.280 4.212 3.272 352 H VAL 38 HN VAL 38 9.370 2.207 4.700 353 HA VAL 38 HA VAL 38 9.876 -0.150 2.976 354 HB VAL 38 HB VAL 38 10.304 0.000 6.008 355 HG11 VAL 38 HG11 VAL 38 9.397 -2.223 5.510 356 HG12 VAL 38 HG12 VAL 38 10.524 -2.431 4.172 357 HG13 VAL 38 HG13 VAL 38 11.102 -2.384 5.832 358 HG21 VAL 38 HG21 VAL 38 12.265 0.956 4.869 359 HG22 VAL 38 HG22 VAL 38 12.679 -0.603 5.551 360 HG23 VAL 38 HG23 VAL 38 12.377 -0.457 3.823 361 H SER 39 HN SER 39 8.279 -1.727 3.102 362 HA SER 39 HA SER 39 5.976 -1.174 4.876 363 HB2 SER 39 HB2 SER 39 5.921 -1.852 1.888 364 HB3 SER 39 HB3 SER 39 4.541 -2.109 2.942 365 HG SER 39 HG SER 39 5.850 0.359 2.534 366 H GLU 40 HN GLU 40 5.764 -2.801 6.271 367 HA GLU 40 HA GLU 40 6.470 -5.578 5.586 368 HB2 GLU 40 HB2 GLU 40 4.929 -4.509 7.999 369 HB3 GLU 40 HB3 GLU 40 5.342 -6.147 7.719 370 HG2 GLU 40 HG2 GLU 40 6.819 -5.298 9.377 371 HG3 GLU 40 HG3 GLU 40 7.737 -5.710 7.969 372 H ILE 41 HN ILE 41 4.930 -7.152 5.168 373 HA ILE 41 HA ILE 41 2.066 -6.443 5.243 374 HB ILE 41 HB ILE 41 3.264 -8.146 3.015 375 HG12 ILE 41 HG12 ILE 41 2.345 -5.266 2.735 376 HG13 ILE 41 HG13 ILE 41 3.998 -5.791 2.653 377 HG21 ILE 41 HG21 ILE 41 0.934 -8.759 3.447 378 HG22 ILE 41 HG22 ILE 41 0.447 -7.068 3.521 379 HG23 ILE 41 HG23 ILE 41 0.915 -7.783 1.999 380 HD11 ILE 41 HD11 ILE 41 1.862 -6.210 0.575 381 HD12 ILE 41 HD12 ILE 41 3.520 -5.657 0.406 382 HD13 ILE 41 HD13 ILE 41 3.190 -7.364 0.683 383 H VAL 42 HN VAL 42 0.808 -8.229 5.871 384 HA VAL 42 HA VAL 42 2.158 -10.797 6.541 385 HB VAL 42 HB VAL 42 0.159 -9.331 8.324 386 HG11 VAL 42 HG11 VAL 42 -0.131 -11.689 8.661 387 HG12 VAL 42 HG12 VAL 42 1.608 -11.952 8.807 388 HG13 VAL 42 HG13 VAL 42 0.726 -11.061 10.045 389 HG21 VAL 42 HG21 VAL 42 3.164 -9.637 8.791 390 HG22 VAL 42 HG22 VAL 42 2.296 -8.123 8.544 391 HG23 VAL 42 HG23 VAL 42 2.015 -9.057 9.996 392 H GLN 43 HN GLN 43 0.764 -12.571 6.356 393 HA GLN 43 HA GLN 43 -2.043 -12.145 5.529 394 HB2 GLN 43 HB2 GLN 43 -0.731 -12.281 3.456 395 HB3 GLN 43 HB3 GLN 43 0.032 -13.760 3.977 396 HG2 GLN 43 HG2 GLN 43 -2.167 -14.951 3.916 397 HG3 GLN 43 HG3 GLN 43 -2.986 -13.449 3.546 398 HE21 GLN 43 HE21 GLN 43 -3.797 -14.780 1.685 399 HE22 GLN 43 HE22 GLN 43 -2.820 -14.863 0.242 400 H ASN 44 HN ASN 44 -2.970 -12.981 7.256 401 HA ASN 44 HA ASN 44 -2.093 -15.598 8.384 402 HB2 ASN 44 HB2 ASN 44 -3.510 -13.188 9.659 403 HB3 ASN 44 HB3 ASN 44 -3.356 -14.746 10.439 404 HD21 ASN 44 HD21 ASN 44 -2.426 -12.485 11.698 405 HD22 ASN 44 HD22 ASN 44 -0.686 -12.567 11.788 406 H GLY 45 HN GLY 45 -3.270 -16.358 6.385 407 HA2 GLY 45 HA2 GLY 45 -5.044 -17.520 5.518 408 HA3 GLY 45 HA1 GLY 45 -5.948 -17.256 7.005 409 H LYS 46 HN LYS 46 -7.752 -16.005 6.731 410 HA LYS 46 HA LYS 46 -8.170 -14.310 4.401 411 HB2 LYS 46 HB2 LYS 46 -9.846 -14.713 6.917 412 HB3 LYS 46 HB3 LYS 46 -10.354 -13.854 5.488 413 HG2 LYS 46 HG2 LYS 46 -9.781 -16.846 5.647 414 HG3 LYS 46 HG3 LYS 46 -11.331 -16.076 5.586 415 HD2 LYS 46 HD2 LYS 46 -11.224 -16.546 3.370 416 HD3 LYS 46 HD3 LYS 46 -10.374 -15.033 3.292 417 HE2 LYS 46 HE2 LYS 46 -8.158 -16.283 3.375 418 HE3 LYS 46 HE3 LYS 46 -9.044 -17.790 3.446 419 HZ1 LYS 46 HZ1 LYS 46 -8.356 -17.258 1.246 420 HZ2 LYS 46 HZ2 LYS 46 -9.174 -15.828 1.271 421 HZ3 LYS 46 HZ3 LYS 46 -10.003 -17.250 1.324 422 H HIS 47 HN HIS 47 -7.125 -13.785 7.781 423 HA HIS 47 HA HIS 47 -7.480 -10.929 7.678 424 HB2 HIS 47 HB2 HIS 47 -7.424 -12.201 9.807 425 HB3 HIS 47 HB3 HIS 47 -5.747 -12.594 9.544 426 HD1 HIS 47 HD1 HIS 47 -7.968 -9.470 9.897 427 HD2 HIS 47 HD2 HIS 47 -3.970 -10.627 10.592 428 HE1 HIS 47 HE1 HIS 47 -6.766 -7.552 11.023 429 H PHE 48 HN PHE 48 -6.042 -9.356 7.234 430 HA PHE 48 HA PHE 48 -3.300 -9.971 6.280 431 HB2 PHE 48 HB2 PHE 48 -5.530 -8.369 5.015 432 HB3 PHE 48 HB3 PHE 48 -3.909 -7.780 4.809 433 HD1 PHE 48 HD1 PHE 48 -6.172 -10.637 4.036 434 HD2 PHE 48 HD2 PHE 48 -2.311 -8.840 3.344 435 HE1 PHE 48 HE1 PHE 48 -5.796 -12.139 2.116 436 HE2 PHE 48 HE2 PHE 48 -1.983 -10.336 1.426 437 HZ PHE 48 HZ PHE 48 -3.711 -11.969 0.804 438 H LYS 49 HN LYS 49 -1.790 -8.431 6.828 439 HA LYS 49 HA LYS 49 -2.732 -5.967 8.185 440 HB2 LYS 49 HB2 LYS 49 -1.670 -7.751 9.801 441 HB3 LYS 49 HB3 LYS 49 -0.162 -7.362 9.002 442 HG2 LYS 49 HG2 LYS 49 -0.683 -4.876 9.609 443 HG3 LYS 49 HG3 LYS 49 -1.927 -5.513 10.632 444 HD2 LYS 49 HD2 LYS 49 1.070 -6.005 10.825 445 HD3 LYS 49 HD3 LYS 49 0.078 -5.088 11.922 446 HE2 LYS 49 HE2 LYS 49 -1.130 -7.186 12.606 447 HE3 LYS 49 HE3 LYS 49 -0.079 -8.122 11.553 448 HZ1 LYS 49 HZ1 LYS 49 0.810 -6.464 13.796 449 HZ2 LYS 49 HZ2 LYS 49 1.796 -7.336 12.803 450 HZ3 LYS 49 HZ3 LYS 49 0.713 -8.109 13.779 451 H PHE 50 HN PHE 50 -1.621 -4.178 7.582 452 HA PHE 50 HA PHE 50 0.838 -4.427 5.939 453 HB2 PHE 50 HB2 PHE 50 -1.552 -2.598 5.476 454 HB3 PHE 50 HB3 PHE 50 0.037 -2.091 5.011 455 HD1 PHE 50 HD1 PHE 50 -2.362 -4.964 4.503 456 HD2 PHE 50 HD2 PHE 50 0.933 -2.673 2.906 457 HE1 PHE 50 HE1 PHE 50 -2.492 -6.209 2.388 458 HE2 PHE 50 HE2 PHE 50 0.732 -3.905 0.787 459 HZ PHE 50 HZ PHE 50 -0.978 -5.675 0.536 460 H THR 51 HN THR 51 2.452 -3.143 6.648 461 HA THR 51 HA THR 51 1.840 -0.914 8.508 462 HB THR 51 HB THR 51 4.384 -2.608 8.616 463 HG1 THR 51 HG1 THR 51 2.291 -2.500 10.515 464 HG21 THR 51 HG21 THR 51 3.480 -0.354 10.447 465 HG22 THR 51 HG22 THR 51 4.812 -0.275 9.298 466 HG23 THR 51 HG23 THR 51 4.911 -1.352 10.676 467 H ILE 52 HN ILE 52 2.480 0.946 7.519 468 HA ILE 52 HA ILE 52 4.357 0.797 5.183 469 HB ILE 52 HB ILE 52 1.783 2.391 5.515 470 HG12 ILE 52 HG12 ILE 52 2.301 0.317 3.364 471 HG13 ILE 52 HG13 ILE 52 1.551 -0.104 4.868 472 HG21 ILE 52 HG21 ILE 52 3.709 2.436 3.152 473 HG22 ILE 52 HG22 ILE 52 2.152 3.262 3.224 474 HG23 ILE 52 HG23 ILE 52 3.449 3.767 4.273 475 HD11 ILE 52 HD11 ILE 52 0.395 1.758 2.771 476 HD12 ILE 52 HD12 ILE 52 -0.273 0.267 3.419 477 HD13 ILE 52 HD13 ILE 52 -0.226 1.711 4.421 478 H THR 53 HN THR 53 6.172 1.717 5.977 479 HA THR 53 HA THR 53 5.958 4.055 7.826 480 HB THR 53 HB THR 53 8.091 1.873 7.592 481 HG1 THR 53 HG1 THR 53 6.261 1.169 8.597 482 HG21 THR 53 HG21 THR 53 9.237 3.935 8.335 483 HG22 THR 53 HG22 THR 53 9.011 2.889 9.723 484 HG23 THR 53 HG23 THR 53 7.952 4.278 9.490 485 H ALA 54 HN ALA 54 6.540 5.926 6.893 486 HA ALA 54 HA ALA 54 9.006 6.239 5.444 487 HB1 ALA 54 HB1 ALA 54 7.434 5.417 3.571 488 HB2 ALA 54 HB2 ALA 54 6.397 6.788 3.900 489 HB3 ALA 54 HB3 ALA 54 8.038 7.046 3.315 490 H GLY 55 HN GLY 55 9.624 8.438 5.429 491 HA2 GLY 55 HA2 GLY 55 9.592 10.675 5.882 492 HA3 GLY 55 HA1 GLY 55 7.846 10.638 5.794 493 H SER 56 HN SER 56 9.559 8.595 8.143 494 HA SER 56 HA SER 56 9.662 8.458 10.319 495 HB2 SER 56 HB2 SER 56 10.968 10.599 10.095 496 HB3 SER 56 HB3 SER 56 9.520 11.513 10.462 497 HG SER 56 HG SER 56 9.439 10.456 12.467 498 H LYS 57 HN LYS 57 7.153 8.031 9.161 499 HA LYS 57 HA LYS 57 5.584 8.059 11.595 500 HB2 LYS 57 HB2 LYS 57 3.543 8.975 10.611 501 HB3 LYS 57 HB3 LYS 57 4.821 10.141 10.590 502 HG2 LYS 57 HG2 LYS 57 3.944 10.507 8.507 503 HG3 LYS 57 HG3 LYS 57 5.214 9.424 8.108 504 HD2 LYS 57 HD2 LYS 57 3.658 8.213 6.977 505 HD3 LYS 57 HD3 LYS 57 3.085 7.631 8.509 506 HE2 LYS 57 HE2 LYS 57 1.992 10.107 7.091 507 HE3 LYS 57 HE3 LYS 57 1.234 8.534 7.115 508 HZ1 LYS 57 HZ1 LYS 57 1.025 8.686 9.477 509 HZ2 LYS 57 HZ2 LYS 57 0.288 9.953 8.716 510 HZ3 LYS 57 HZ3 LYS 57 1.735 10.178 9.481 511 H VAL 58 HN VAL 58 3.982 6.446 11.631 512 HA VAL 58 HA VAL 58 4.370 4.255 9.628 513 HB VAL 58 HB VAL 58 3.839 4.072 12.639 514 HG11 VAL 58 HG11 VAL 58 4.265 1.612 12.323 515 HG12 VAL 58 HG12 VAL 58 2.810 2.143 11.506 516 HG13 VAL 58 HG13 VAL 58 4.284 1.871 10.581 517 HG21 VAL 58 HG21 VAL 58 6.421 3.482 11.145 518 HG22 VAL 58 HG22 VAL 58 6.164 4.763 12.320 519 HG23 VAL 58 HG23 VAL 58 6.112 3.088 12.830 520 H ILE 59 HN ILE 59 2.543 3.971 8.484 521 HA ILE 59 HA ILE 59 -0.135 4.363 9.724 522 HB ILE 59 HB ILE 59 0.549 3.529 6.866 523 HG12 ILE 59 HG12 ILE 59 -0.480 6.049 6.544 524 HG13 ILE 59 HG13 ILE 59 0.382 6.286 8.025 525 HG21 ILE 59 HG21 ILE 59 -1.740 2.857 7.476 526 HG22 ILE 59 HG22 ILE 59 -2.096 4.498 8.010 527 HG23 ILE 59 HG23 ILE 59 -1.782 4.156 6.316 528 HD11 ILE 59 HD11 ILE 59 1.653 6.742 5.797 529 HD12 ILE 59 HD12 ILE 59 2.508 5.727 6.943 530 HD13 ILE 59 HD13 ILE 59 1.695 5.009 5.551 531 H GLN 60 HN GLN 60 -1.446 2.483 10.077 532 HA GLN 60 HA GLN 60 -0.453 -0.091 9.006 533 HB2 GLN 60 HB2 GLN 60 -1.423 0.308 11.881 534 HB3 GLN 60 HB3 GLN 60 -1.303 -1.234 11.083 535 HG2 GLN 60 HG2 GLN 60 1.208 -0.606 10.658 536 HG3 GLN 60 HG3 GLN 60 0.982 0.611 11.889 537 HE21 GLN 60 HE21 GLN 60 1.035 -0.098 14.075 538 HE22 GLN 60 HE22 GLN 60 1.187 -1.772 14.539 539 H ASN 61 HN ASN 61 -1.957 -1.422 8.208 540 HA ASN 61 HA ASN 61 -4.852 -0.754 8.590 541 HB2 ASN 61 HB2 ASN 61 -3.570 -1.989 6.090 542 HB3 ASN 61 HB3 ASN 61 -5.269 -1.747 6.363 543 HD21 ASN 61 HD21 ASN 61 -4.513 1.044 7.657 544 HD22 ASN 61 HD22 ASN 61 -4.470 2.038 6.224 545 H GLU 62 HN GLU 62 -6.097 -2.384 9.218 546 HA GLU 62 HA GLU 62 -5.090 -5.177 9.240 547 HB2 GLU 62 HB2 GLU 62 -6.216 -3.542 11.552 548 HB3 GLU 62 HB3 GLU 62 -6.435 -5.268 11.505 549 HG2 GLU 62 HG2 GLU 62 -4.009 -5.655 11.444 550 HG3 GLU 62 HG3 GLU 62 -3.681 -3.936 11.332 551 H PHE 63 HN PHE 63 -6.421 -6.300 8.006 552 HA PHE 63 HA PHE 63 -9.286 -5.864 8.112 553 HB2 PHE 63 HB2 PHE 63 -9.547 -5.508 5.697 554 HB3 PHE 63 HB3 PHE 63 -8.658 -4.213 6.419 555 HD1 PHE 63 HD1 PHE 63 -6.322 -3.783 5.797 556 HD2 PHE 63 HD2 PHE 63 -8.378 -7.246 4.243 557 HE1 PHE 63 HE1 PHE 63 -4.562 -4.093 4.102 558 HE2 PHE 63 HE2 PHE 63 -6.595 -7.533 2.578 559 HZ PHE 63 HZ PHE 63 -4.718 -5.948 2.479 560 H THR 64 HN THR 64 -10.481 -7.445 6.751 561 HA THR 64 HA THR 64 -9.029 -10.015 6.404 562 HB THR 64 HB THR 64 -11.740 -9.521 7.746 563 HG1 THR 64 HG1 THR 64 -10.714 -10.576 9.465 564 HG21 THR 64 HG21 THR 64 -11.940 -11.625 6.397 565 HG22 THR 64 HG22 THR 64 -11.838 -12.001 8.107 566 HG23 THR 64 HG23 THR 64 -10.424 -12.201 7.092 567 H VAL 65 HN VAL 65 -9.268 -10.752 4.353 568 HA VAL 65 HA VAL 65 -10.810 -9.218 2.524 569 HB VAL 65 HB VAL 65 -10.104 -10.775 0.783 570 HG11 VAL 65 HG11 VAL 65 -8.696 -8.889 1.295 571 HG12 VAL 65 HG12 VAL 65 -7.889 -9.757 2.591 572 HG13 VAL 65 HG13 VAL 65 -7.666 -10.264 0.926 573 HG21 VAL 65 HG21 VAL 65 -8.426 -12.555 1.200 574 HG22 VAL 65 HG22 VAL 65 -8.720 -12.434 2.925 575 HG23 VAL 65 HG23 VAL 65 -9.999 -12.972 1.840 576 H GLY 66 HN GLY 66 -12.807 -9.382 1.872 577 HA2 GLY 66 HA2 GLY 66 -14.804 -10.445 1.221 578 HA3 GLY 66 HA1 GLY 66 -14.448 -11.851 2.200 579 H GLU 67 HN GLU 67 -13.639 -9.291 4.245 580 HA GLU 67 HA GLU 67 -16.415 -8.922 5.312 581 HB2 GLU 67 HB2 GLU 67 -13.784 -9.198 6.840 582 HB3 GLU 67 HB3 GLU 67 -15.322 -8.804 7.548 583 HG2 GLU 67 HG2 GLU 67 -16.225 -11.047 6.819 584 HG3 GLU 67 HG3 GLU 67 -14.659 -11.447 6.151 585 H GLU 68 HN GLU 68 -16.829 -6.906 6.342 586 HA GLU 68 HA GLU 68 -15.253 -4.624 5.407 587 HB2 GLU 68 HB2 GLU 68 -17.768 -4.562 5.529 588 HB3 GLU 68 HB3 GLU 68 -17.662 -4.681 7.264 589 HG2 GLU 68 HG2 GLU 68 -16.244 -2.510 7.242 590 HG3 GLU 68 HG3 GLU 68 -16.540 -2.415 5.526 591 H CYS 69 HN CYS 69 -13.704 -3.647 6.516 592 HA CYS 69 HA CYS 69 -13.481 -3.894 9.458 593 HB2 CYS 69 HB2 CYS 69 -11.183 -4.317 7.467 594 HB3 CYS 69 HB3 CYS 69 -10.953 -4.048 9.187 595 HG CYS 69 HG CYS 69 -12.656 -6.447 7.723 596 H GLU 70 HN GLU 70 -11.219 -2.132 9.652 597 HA GLU 70 HA GLU 70 -12.239 0.341 8.350 598 HB2 GLU 70 HB2 GLU 70 -12.941 -0.034 10.844 599 HB3 GLU 70 HB3 GLU 70 -11.268 0.277 11.227 600 HG2 GLU 70 HG2 GLU 70 -11.442 2.511 10.035 601 HG3 GLU 70 HG3 GLU 70 -13.112 2.149 9.672 602 H LEU 71 HN LEU 71 -10.748 1.359 7.238 603 HA LEU 71 HA LEU 71 -7.901 0.500 7.453 604 HB2 LEU 71 HB2 LEU 71 -9.745 1.313 5.185 605 HB3 LEU 71 HB3 LEU 71 -8.068 1.740 5.059 606 HG LEU 71 HG LEU 71 -7.340 -0.562 5.357 607 HD11 LEU 71 HD11 LEU 71 -8.818 -1.876 6.523 608 HD12 LEU 71 HD12 LEU 71 -9.347 -2.329 4.913 609 HD13 LEU 71 HD13 LEU 71 -10.252 -1.134 5.823 610 HD21 LEU 71 HD21 LEU 71 -7.354 -0.730 3.124 611 HD22 LEU 71 HD22 LEU 71 -8.514 0.585 3.048 612 HD23 LEU 71 HD23 LEU 71 -9.077 -1.070 3.064 613 H GLU 72 HN GLU 72 -6.494 1.855 8.210 614 HA GLU 72 HA GLU 72 -6.934 4.687 8.588 615 HB2 GLU 72 HB2 GLU 72 -5.612 3.008 10.066 616 HB3 GLU 72 HB3 GLU 72 -4.373 3.083 8.842 617 HG2 GLU 72 HG2 GLU 72 -4.038 5.516 9.250 618 HG3 GLU 72 HG3 GLU 72 -5.349 5.514 10.412 619 H THR 73 HN THR 73 -5.325 6.295 7.680 620 HA THR 73 HA THR 73 -4.247 5.617 4.984 621 HB THR 73 HB THR 73 -5.249 7.665 4.074 622 HG1 THR 73 HG1 THR 73 -5.390 8.958 5.879 623 HG21 THR 73 HG21 THR 73 -6.662 5.573 3.983 624 HG22 THR 73 HG22 THR 73 -7.583 7.071 3.915 625 HG23 THR 73 HG23 THR 73 -7.533 6.139 5.404 626 H MET 74 HN MET 74 -3.053 7.606 4.126 627 HA MET 74 HA MET 74 -0.739 8.172 5.529 628 HB2 MET 74 HB2 MET 74 -2.195 9.690 3.330 629 HB3 MET 74 HB3 MET 74 -0.563 10.065 3.781 630 HG2 MET 74 HG2 MET 74 -1.554 7.436 2.576 631 HG3 MET 74 HG3 MET 74 -0.682 8.688 1.742 632 HE1 MET 74 HE1 MET 74 1.672 9.431 4.013 633 HE2 MET 74 HE2 MET 74 2.934 8.439 3.278 634 HE3 MET 74 HE3 MET 74 1.844 9.378 2.251 635 H THR 75 HN THR 75 -3.751 10.090 5.462 636 HA THR 75 HA THR 75 -2.735 12.361 6.923 637 HB THR 75 HB THR 75 -5.175 12.990 6.936 638 HG1 THR 75 HG1 THR 75 -6.639 11.627 5.935 639 HG21 THR 75 HG21 THR 75 -3.978 13.625 4.900 640 HG22 THR 75 HG22 THR 75 -5.596 13.084 4.496 641 HG23 THR 75 HG23 THR 75 -4.224 12.025 4.195 642 H GLY 76 HN GLY 76 -3.869 9.212 7.956 643 HA2 GLY 76 HA2 GLY 76 -4.031 8.424 10.126 644 HA3 GLY 76 HA1 GLY 76 -4.005 10.045 10.788 645 H GLU 77 HN GLU 77 -6.294 9.844 8.182 646 HA GLU 77 HA GLU 77 -8.669 9.702 9.854 647 HB2 GLU 77 HB2 GLU 77 -8.190 9.552 6.839 648 HB3 GLU 77 HB3 GLU 77 -9.773 9.519 7.549 649 HG2 GLU 77 HG2 GLU 77 -9.532 11.791 8.432 650 HG3 GLU 77 HG3 GLU 77 -7.850 11.862 7.965 651 H LYS 78 HN LYS 78 -10.150 7.968 9.956 652 HA LYS 78 HA LYS 78 -9.335 5.341 8.809 653 HB2 LYS 78 HB2 LYS 78 -10.539 5.903 11.563 654 HB3 LYS 78 HB3 LYS 78 -10.444 4.339 10.817 655 HG2 LYS 78 HG2 LYS 78 -7.894 4.604 10.707 656 HG3 LYS 78 HG3 LYS 78 -8.081 6.048 11.666 657 HD2 LYS 78 HD2 LYS 78 -7.668 4.422 13.309 658 HD3 LYS 78 HD3 LYS 78 -9.404 4.559 13.350 659 HE2 LYS 78 HE2 LYS 78 -9.345 2.525 11.600 660 HE3 LYS 78 HE3 LYS 78 -7.712 2.310 12.186 661 HZ1 LYS 78 HZ1 LYS 78 -9.251 1.012 13.415 662 HZ2 LYS 78 HZ2 LYS 78 -10.195 2.320 13.747 663 HZ3 LYS 78 HZ3 LYS 78 -8.686 2.191 14.428 664 H VAL 79 HN VAL 79 -10.952 4.299 7.705 665 HA VAL 79 HA VAL 79 -13.761 5.081 8.118 666 HB VAL 79 HB VAL 79 -14.197 5.198 5.696 667 HG11 VAL 79 HG11 VAL 79 -12.248 7.393 6.459 668 HG12 VAL 79 HG12 VAL 79 -13.587 7.479 5.318 669 HG13 VAL 79 HG13 VAL 79 -13.912 7.286 7.027 670 HG21 VAL 79 HG21 VAL 79 -12.282 3.987 4.707 671 HG22 VAL 79 HG22 VAL 79 -12.440 5.581 4.020 672 HG23 VAL 79 HG23 VAL 79 -11.185 5.272 5.219 673 H LYS 80 HN LYS 80 -15.239 3.542 7.623 674 HA LYS 80 HA LYS 80 -14.409 0.821 7.614 675 HB2 LYS 80 HB2 LYS 80 -17.064 2.290 7.492 676 HB3 LYS 80 HB3 LYS 80 -17.015 0.580 7.183 677 HG2 LYS 80 HG2 LYS 80 -15.996 0.080 9.323 678 HG3 LYS 80 HG3 LYS 80 -15.910 1.769 9.749 679 HD2 LYS 80 HD2 LYS 80 -18.247 1.999 9.983 680 HD3 LYS 80 HD3 LYS 80 -18.622 0.635 8.975 681 HE2 LYS 80 HE2 LYS 80 -17.386 0.423 11.777 682 HE3 LYS 80 HE3 LYS 80 -19.091 0.239 11.402 683 HZ1 LYS 80 HZ1 LYS 80 -16.934 -1.468 10.414 684 HZ2 LYS 80 HZ2 LYS 80 -18.488 -1.576 9.910 685 HZ3 LYS 80 HZ3 LYS 80 -18.110 -1.878 11.496 686 H THR 81 HN THR 81 -14.230 -0.651 5.984 687 HA THR 81 HA THR 81 -15.679 -0.533 3.576 688 HB THR 81 HB THR 81 -14.033 1.226 2.881 689 HG1 THR 81 HG1 THR 81 -13.487 0.298 0.992 690 HG21 THR 81 HG21 THR 81 -12.001 0.575 4.183 691 HG22 THR 81 HG22 THR 81 -11.654 0.645 2.460 692 HG23 THR 81 HG23 THR 81 -11.844 -0.904 3.241 693 H VAL 82 HN VAL 82 -15.353 -2.341 2.231 694 HA VAL 82 HA VAL 82 -14.196 -4.743 3.475 695 HB VAL 82 HB VAL 82 -15.762 -4.273 0.886 696 HG11 VAL 82 HG11 VAL 82 -14.513 -6.321 0.500 697 HG12 VAL 82 HG12 VAL 82 -14.889 -6.929 2.113 698 HG13 VAL 82 HG13 VAL 82 -16.148 -6.786 0.897 699 HG21 VAL 82 HG21 VAL 82 -17.690 -5.305 2.005 700 HG22 VAL 82 HG22 VAL 82 -16.766 -5.500 3.483 701 HG23 VAL 82 HG23 VAL 82 -17.178 -3.891 2.902 702 H VAL 83 HN VAL 83 -12.561 -5.973 2.510 703 HA VAL 83 HA VAL 83 -11.152 -4.827 0.135 704 HB VAL 83 HB VAL 83 -9.854 -6.480 2.353 705 HG11 VAL 83 HG11 VAL 83 -7.710 -5.621 1.222 706 HG12 VAL 83 HG12 VAL 83 -8.621 -6.797 0.304 707 HG13 VAL 83 HG13 VAL 83 -8.699 -5.095 -0.105 708 HG21 VAL 83 HG21 VAL 83 -8.621 -4.267 2.902 709 HG22 VAL 83 HG22 VAL 83 -9.925 -3.457 2.067 710 HG23 VAL 83 HG23 VAL 83 -10.272 -4.432 3.476 711 H GLN 84 HN GLN 84 -10.596 -6.321 -1.431 712 HA GLN 84 HA GLN 84 -11.670 -9.099 -1.191 713 HB2 GLN 84 HB2 GLN 84 -11.662 -7.172 -3.583 714 HB3 GLN 84 HB3 GLN 84 -12.179 -8.826 -3.667 715 HG2 GLN 84 HG2 GLN 84 -13.561 -6.638 -2.030 716 HG3 GLN 84 HG3 GLN 84 -14.075 -7.233 -3.585 717 HE21 GLN 84 HE21 GLN 84 -15.983 -7.274 -1.765 718 HE22 GLN 84 HE22 GLN 84 -16.286 -8.885 -1.171 719 H LEU 85 HN LEU 85 -10.663 -10.619 -2.714 720 HA LEU 85 HA LEU 85 -7.941 -9.955 -3.594 721 HB2 LEU 85 HB2 LEU 85 -7.707 -10.751 -1.301 722 HB3 LEU 85 HB3 LEU 85 -8.580 -12.198 -1.617 723 HG LEU 85 HG LEU 85 -6.266 -11.783 -3.457 724 HD11 LEU 85 HD11 LEU 85 -4.802 -12.739 -1.316 725 HD12 LEU 85 HD12 LEU 85 -5.775 -11.498 -0.555 726 HD13 LEU 85 HD13 LEU 85 -4.762 -11.101 -1.937 727 HD21 LEU 85 HD21 LEU 85 -6.078 -14.090 -3.406 728 HD22 LEU 85 HD22 LEU 85 -7.771 -13.958 -2.957 729 HD23 LEU 85 HD23 LEU 85 -6.552 -14.230 -1.722 730 H GLU 86 HN GLU 86 -7.556 -10.730 -5.519 731 HA GLU 86 HA GLU 86 -9.430 -12.578 -6.847 732 HB2 GLU 86 HB2 GLU 86 -7.026 -11.058 -7.977 733 HB3 GLU 86 HB3 GLU 86 -8.310 -11.790 -8.885 734 HG2 GLU 86 HG2 GLU 86 -8.498 -9.285 -7.147 735 HG3 GLU 86 HG3 GLU 86 -8.616 -9.380 -8.881 736 H GLY 87 HN GLY 87 -8.349 -14.119 -8.450 737 HA2 GLY 87 HA2 GLY 87 -6.503 -15.943 -7.087 738 HA3 GLY 87 HA1 GLY 87 -7.279 -16.148 -8.644 739 H ASP 88 HN ASP 88 -5.861 -13.073 -8.651 740 HA ASP 88 HA ASP 88 -3.476 -14.011 -10.163 741 HB2 ASP 88 HB2 ASP 88 -5.087 -11.473 -10.654 742 HB3 ASP 88 HB3 ASP 88 -3.781 -12.054 -11.624 743 H ASN 89 HN ASN 89 -3.341 -13.617 -7.334 744 HA ASN 89 HA ASN 89 -2.248 -12.658 -5.746 745 HB2 ASN 89 HB2 ASN 89 0.199 -11.609 -6.660 746 HB3 ASN 89 HB3 ASN 89 -0.160 -13.194 -6.125 747 HD21 ASN 89 HD21 ASN 89 0.734 -11.284 -8.870 748 HD22 ASN 89 HD22 ASN 89 0.865 -12.610 -9.998 749 H LYS 90 HN LYS 90 -4.285 -11.021 -6.594 750 HA LYS 90 HA LYS 90 -3.267 -8.249 -6.224 751 HB2 LYS 90 HB2 LYS 90 -5.209 -9.420 -8.224 752 HB3 LYS 90 HB3 LYS 90 -5.300 -7.734 -7.793 753 HG2 LYS 90 HG2 LYS 90 -3.194 -7.183 -8.661 754 HG3 LYS 90 HG3 LYS 90 -2.599 -8.811 -8.599 755 HD2 LYS 90 HD2 LYS 90 -2.931 -8.266 -10.896 756 HD3 LYS 90 HD3 LYS 90 -4.097 -9.470 -10.463 757 HE2 LYS 90 HE2 LYS 90 -5.882 -7.715 -10.287 758 HE3 LYS 90 HE3 LYS 90 -4.700 -6.483 -10.708 759 HZ1 LYS 90 HZ1 LYS 90 -5.460 -8.768 -12.390 760 HZ2 LYS 90 HZ2 LYS 90 -4.347 -7.618 -12.783 761 HZ3 LYS 90 HZ3 LYS 90 -5.934 -7.202 -12.605 762 H LEU 91 HN LEU 91 -3.902 -7.453 -4.382 763 HA LEU 91 HA LEU 91 -6.542 -7.961 -3.160 764 HB2 LEU 91 HB2 LEU 91 -4.119 -6.232 -2.497 765 HB3 LEU 91 HB3 LEU 91 -5.588 -6.075 -1.593 766 HG LEU 91 HG LEU 91 -4.129 -8.724 -1.794 767 HD11 LEU 91 HD11 LEU 91 -3.750 -7.566 0.811 768 HD12 LEU 91 HD12 LEU 91 -3.219 -6.379 -0.361 769 HD13 LEU 91 HD13 LEU 91 -2.534 -7.995 -0.374 770 HD21 LEU 91 HD21 LEU 91 -5.441 -9.237 0.286 771 HD22 LEU 91 HD22 LEU 91 -6.485 -8.916 -1.090 772 HD23 LEU 91 HD23 LEU 91 -6.256 -7.686 0.143 773 H VAL 92 HN VAL 92 -8.158 -6.303 -3.074 774 HA VAL 92 HA VAL 92 -7.604 -3.696 -4.298 775 HB VAL 92 HB VAL 92 -9.985 -5.391 -5.198 776 HG11 VAL 92 HG11 VAL 92 -10.699 -3.047 -5.151 777 HG12 VAL 92 HG12 VAL 92 -9.225 -2.536 -5.974 778 HG13 VAL 92 HG13 VAL 92 -10.432 -3.500 -6.815 779 HG21 VAL 92 HG21 VAL 92 -8.047 -6.219 -6.408 780 HG22 VAL 92 HG22 VAL 92 -9.011 -5.260 -7.502 781 HG23 VAL 92 HG23 VAL 92 -7.538 -4.584 -6.820 782 H THR 93 HN THR 93 -8.759 -2.049 -3.337 783 HA THR 93 HA THR 93 -11.179 -2.490 -1.801 784 HB THR 93 HB THR 93 -9.461 -3.027 -0.093 785 HG1 THR 93 HG1 THR 93 -11.241 -1.970 0.673 786 HG21 THR 93 HG21 THR 93 -7.507 -1.698 -0.947 787 HG22 THR 93 HG22 THR 93 -7.839 -1.376 0.746 788 HG23 THR 93 HG23 THR 93 -8.326 -0.212 -0.478 789 H THR 94 HN THR 94 -12.019 -0.289 -0.964 790 HA THR 94 HA THR 94 -10.837 2.056 -2.281 791 HB THR 94 HB THR 94 -13.794 1.317 -2.596 792 HG1 THR 94 HG1 THR 94 -13.235 1.396 -4.829 793 HG21 THR 94 HG21 THR 94 -13.941 3.358 -4.064 794 HG22 THR 94 HG22 THR 94 -12.308 3.810 -3.590 795 HG23 THR 94 HG23 THR 94 -13.606 3.797 -2.402 796 H PHE 95 HN PHE 95 -10.705 3.702 -0.921 797 HA PHE 95 HA PHE 95 -12.593 4.008 1.338 798 HB2 PHE 95 HB2 PHE 95 -10.632 4.342 2.866 799 HB3 PHE 95 HB3 PHE 95 -10.845 2.704 2.348 800 HD1 PHE 95 HD1 PHE 95 -9.200 1.644 0.786 801 HD2 PHE 95 HD2 PHE 95 -8.677 5.700 2.154 802 HE1 PHE 95 HE1 PHE 95 -6.872 1.636 -0.003 803 HE2 PHE 95 HE2 PHE 95 -6.364 5.668 1.310 804 HZ PHE 95 HZ PHE 95 -5.463 3.644 0.233 805 H LYS 96 HN LYS 96 -13.270 6.075 1.459 806 HA LYS 96 HA LYS 96 -13.471 8.274 1.183 807 HB2 LYS 96 HB2 LYS 96 -10.430 8.531 1.236 808 HB3 LYS 96 HB3 LYS 96 -11.623 9.701 1.745 809 HG2 LYS 96 HG2 LYS 96 -12.300 7.919 3.535 810 HG3 LYS 96 HG3 LYS 96 -10.817 7.106 3.116 811 HD2 LYS 96 HD2 LYS 96 -11.171 9.763 4.501 812 HD3 LYS 96 HD3 LYS 96 -10.312 8.358 5.031 813 HE2 LYS 96 HE2 LYS 96 -8.479 9.606 4.458 814 HE3 LYS 96 HE3 LYS 96 -8.734 8.881 2.889 815 HZ1 LYS 96 HZ1 LYS 96 -8.467 11.246 2.772 816 HZ2 LYS 96 HZ2 LYS 96 -9.698 11.496 3.831 817 HZ3 LYS 96 HZ3 LYS 96 -10.018 10.885 2.327 818 H ASN 97 HN ASN 97 -13.427 6.772 -1.252 819 HA ASN 97 HA ASN 97 -13.446 6.918 -3.467 820 HB2 ASN 97 HB2 ASN 97 -14.075 9.446 -2.976 821 HB3 ASN 97 HB3 ASN 97 -12.441 9.814 -3.460 822 HD21 ASN 97 HD21 ASN 97 -12.806 10.828 -5.442 823 HD22 ASN 97 HD22 ASN 97 -13.722 10.135 -6.756 824 H ILE 98 HN ILE 98 -10.660 6.974 -1.700 825 HA ILE 98 HA ILE 98 -8.803 6.826 -3.976 826 HB ILE 98 HB ILE 98 -8.308 6.064 -1.059 827 HG12 ILE 98 HG12 ILE 98 -7.324 8.643 -2.240 828 HG13 ILE 98 HG13 ILE 98 -8.908 8.587 -1.517 829 HG21 ILE 98 HG21 ILE 98 -6.679 5.013 -2.573 830 HG22 ILE 98 HG22 ILE 98 -6.329 6.577 -3.298 831 HG23 ILE 98 HG23 ILE 98 -5.918 6.255 -1.618 832 HD11 ILE 98 HD11 ILE 98 -7.894 7.712 0.628 833 HD12 ILE 98 HD12 ILE 98 -6.297 7.984 -0.071 834 HD13 ILE 98 HD13 ILE 98 -7.390 9.337 0.186 835 H LYS 99 HN LYS 99 -9.542 5.110 -5.229 836 HA LYS 99 HA LYS 99 -9.945 2.415 -4.209 837 HB2 LYS 99 HB2 LYS 99 -10.889 3.235 -6.331 838 HB3 LYS 99 HB3 LYS 99 -9.311 3.457 -7.013 839 HG2 LYS 99 HG2 LYS 99 -10.166 0.734 -5.935 840 HG3 LYS 99 HG3 LYS 99 -10.818 1.263 -7.442 841 HD2 LYS 99 HD2 LYS 99 -7.820 0.956 -6.895 842 HD3 LYS 99 HD3 LYS 99 -8.810 -0.266 -7.609 843 HE2 LYS 99 HE2 LYS 99 -8.252 2.491 -8.826 844 HE3 LYS 99 HE3 LYS 99 -7.508 0.986 -9.308 845 HZ1 LYS 99 HZ1 LYS 99 -9.657 0.171 -9.955 846 HZ2 LYS 99 HZ2 LYS 99 -9.290 1.572 -10.744 847 HZ3 LYS 99 HZ3 LYS 99 -10.370 1.587 -9.501 848 H SER 100 HN SER 100 -8.348 0.836 -3.938 849 HA SER 100 HA SER 100 -5.541 1.515 -4.612 850 HB2 SER 100 HB2 SER 100 -5.926 2.117 -2.215 851 HB3 SER 100 HB3 SER 100 -6.512 0.490 -1.907 852 HG SER 100 HG SER 100 -4.336 0.705 -1.357 853 H VAL 101 HN VAL 101 -4.322 -0.174 -5.217 854 HA VAL 101 HA VAL 101 -5.416 -2.927 -5.158 855 HB VAL 101 HB VAL 101 -3.969 -1.583 -7.505 856 HG11 VAL 101 HG11 VAL 101 -4.988 -4.451 -7.303 857 HG12 VAL 101 HG12 VAL 101 -4.378 -3.694 -8.767 858 HG13 VAL 101 HG13 VAL 101 -3.302 -3.955 -7.416 859 HG21 VAL 101 HG21 VAL 101 -6.890 -2.407 -7.306 860 HG22 VAL 101 HG22 VAL 101 -6.243 -0.789 -7.549 861 HG23 VAL 101 HG23 VAL 101 -6.077 -1.989 -8.812 862 H THR 102 HN THR 102 -3.854 -4.360 -4.410 863 HA THR 102 HA THR 102 -0.985 -3.501 -4.473 864 HB THR 102 HB THR 102 -2.087 -5.485 -2.430 865 HG1 THR 102 HG1 THR 102 -2.956 -3.454 -2.010 866 HG21 THR 102 HG21 THR 102 0.093 -5.033 -1.306 867 HG22 THR 102 HG22 THR 102 0.550 -3.950 -2.609 868 HG23 THR 102 HG23 THR 102 0.355 -5.674 -2.912 869 H GLU 103 HN GLU 103 0.162 -4.727 -5.833 870 HA GLU 103 HA GLU 103 -0.883 -7.391 -6.679 871 HB2 GLU 103 HB2 GLU 103 -1.367 -5.698 -8.324 872 HB3 GLU 103 HB3 GLU 103 0.263 -5.107 -8.304 873 HG2 GLU 103 HG2 GLU 103 1.104 -7.209 -9.332 874 HG3 GLU 103 HG3 GLU 103 -0.471 -7.950 -9.177 875 H LEU 104 HN LEU 104 0.351 -8.791 -5.675 876 HA LEU 104 HA LEU 104 3.205 -8.523 -5.242 877 HB2 LEU 104 HB2 LEU 104 1.813 -9.660 -3.604 878 HB3 LEU 104 HB3 LEU 104 1.080 -10.651 -4.817 879 HG LEU 104 HG LEU 104 3.317 -11.830 -5.146 880 HD11 LEU 104 HD11 LEU 104 4.057 -10.416 -2.545 881 HD12 LEU 104 HD12 LEU 104 4.817 -10.112 -4.107 882 HD13 LEU 104 HD13 LEU 104 4.974 -11.682 -3.338 883 HD21 LEU 104 HD21 LEU 104 1.488 -12.033 -2.796 884 HD22 LEU 104 HD22 LEU 104 3.014 -12.902 -2.684 885 HD23 LEU 104 HD23 LEU 104 1.924 -13.213 -4.022 886 H ASN 105 HN ASN 105 4.843 -9.647 -6.226 887 HA ASN 105 HA ASN 105 4.445 -11.333 -8.553 888 HB2 ASN 105 HB2 ASN 105 4.900 -8.416 -8.822 889 HB3 ASN 105 HB3 ASN 105 6.271 -9.240 -9.466 890 HD21 ASN 105 HD21 ASN 105 2.658 -9.505 -9.654 891 HD22 ASN 105 HD22 ASN 105 2.651 -9.806 -11.374 892 H GLY 106 HN GLY 106 5.286 -12.586 -6.667 893 HA2 GLY 106 HA2 GLY 106 6.958 -13.907 -5.868 894 HA3 GLY 106 HA1 GLY 106 8.054 -13.218 -7.054 895 H ASP 107 HN ASP 107 9.559 -11.725 -6.370 896 HA ASP 107 HA ASP 107 9.696 -10.951 -3.545 897 HB2 ASP 107 HB2 ASP 107 11.807 -10.389 -5.668 898 HB3 ASP 107 HB3 ASP 107 11.968 -10.289 -3.953 899 H ILE 108 HN ILE 108 8.138 -9.573 -6.157 900 HA ILE 108 HA ILE 108 8.840 -6.762 -5.390 901 HB ILE 108 HB ILE 108 7.352 -7.720 -7.870 902 HG12 ILE 108 HG12 ILE 108 9.458 -8.812 -8.106 903 HG13 ILE 108 HG13 ILE 108 9.386 -7.490 -9.211 904 HG21 ILE 108 HG21 ILE 108 8.736 -5.061 -7.294 905 HG22 ILE 108 HG22 ILE 108 8.041 -5.527 -8.839 906 HG23 ILE 108 HG23 ILE 108 7.005 -5.331 -7.451 907 HD11 ILE 108 HD11 ILE 108 10.674 -6.323 -6.988 908 HD12 ILE 108 HD12 ILE 108 11.276 -7.979 -6.989 909 HD13 ILE 108 HD13 ILE 108 11.477 -6.967 -8.413 910 H ILE 109 HN ILE 109 7.190 -5.339 -4.855 911 HA ILE 109 HA ILE 109 4.353 -6.257 -4.945 912 HB ILE 109 HB ILE 109 5.733 -4.635 -2.763 913 HG12 ILE 109 HG12 ILE 109 5.887 -7.088 -2.485 914 HG13 ILE 109 HG13 ILE 109 5.140 -6.223 -1.184 915 HG21 ILE 109 HG21 ILE 109 2.735 -4.925 -3.194 916 HG22 ILE 109 HG22 ILE 109 3.453 -4.408 -1.671 917 HG23 ILE 109 HG23 ILE 109 3.654 -3.430 -3.101 918 HD11 ILE 109 HD11 ILE 109 3.906 -8.275 -1.538 919 HD12 ILE 109 HD12 ILE 109 2.850 -6.969 -2.044 920 HD13 ILE 109 HD13 ILE 109 3.702 -7.933 -3.246 921 H THR 110 HN THR 110 3.383 -5.022 -6.445 922 HA THR 110 HA THR 110 4.125 -2.150 -6.769 923 HB THR 110 HB THR 110 2.288 -4.052 -8.298 924 HG1 THR 110 HG1 THR 110 4.450 -4.082 -8.821 925 HG21 THR 110 HG21 THR 110 1.785 -2.165 -9.860 926 HG22 THR 110 HG22 THR 110 2.517 -1.024 -8.728 927 HG23 THR 110 HG23 THR 110 1.045 -1.897 -8.298 928 H ASN 111 HN ASN 111 2.819 -0.607 -5.854 929 HA ASN 111 HA ASN 111 0.114 -1.369 -4.909 930 HB2 ASN 111 HB2 ASN 111 2.287 -0.047 -3.361 931 HB3 ASN 111 HB3 ASN 111 0.922 1.017 -3.498 932 HD21 ASN 111 HD21 ASN 111 -1.345 -0.470 -3.313 933 HD22 ASN 111 HD22 ASN 111 -1.364 -1.326 -1.795 934 H THR 112 HN THR 112 -1.394 -0.272 -6.054 935 HA THR 112 HA THR 112 -0.673 2.331 -7.353 936 HB THR 112 HB THR 112 -2.535 0.139 -8.420 937 HG1 THR 112 HG1 THR 112 -0.370 -0.348 -8.658 938 HG21 THR 112 HG21 THR 112 -1.747 2.820 -9.691 939 HG22 THR 112 HG22 THR 112 -3.368 2.378 -9.158 940 HG23 THR 112 HG23 THR 112 -2.629 1.535 -10.505 941 H MET 113 HN MET 113 -2.208 3.949 -7.084 942 HA MET 113 HA MET 113 -4.787 3.239 -5.859 943 HB2 MET 113 HB2 MET 113 -3.084 5.599 -4.919 944 HB3 MET 113 HB3 MET 113 -4.691 5.233 -4.388 945 HG2 MET 113 HG2 MET 113 -3.867 3.099 -3.371 946 HG3 MET 113 HG3 MET 113 -2.236 3.494 -3.868 947 HE1 MET 113 HE1 MET 113 -2.082 3.965 0.006 948 HE2 MET 113 HE2 MET 113 -3.034 2.764 -0.877 949 HE3 MET 113 HE3 MET 113 -1.386 3.146 -1.400 950 H THR 114 HN THR 114 -6.489 4.712 -6.328 951 HA THR 114 HA THR 114 -5.952 6.803 -8.347 952 HB THR 114 HB THR 114 -8.154 4.713 -8.661 953 HG1 THR 114 HG1 THR 114 -5.869 5.174 -10.250 954 HG21 THR 114 HG21 THR 114 -7.417 7.095 -10.440 955 HG22 THR 114 HG22 THR 114 -8.932 6.879 -9.573 956 HG23 THR 114 HG23 THR 114 -8.528 5.807 -10.898 957 H LEU 115 HN LEU 115 -6.674 8.616 -7.439 958 HA LEU 115 HA LEU 115 -9.335 8.655 -6.084 959 HB2 LEU 115 HB2 LEU 115 -7.233 9.049 -4.590 960 HB3 LEU 115 HB3 LEU 115 -7.006 10.533 -5.448 961 HG LEU 115 HG LEU 115 -9.328 9.695 -3.681 962 HD11 LEU 115 HD11 LEU 115 -8.026 12.295 -3.105 963 HD12 LEU 115 HD12 LEU 115 -6.917 10.945 -3.011 964 HD13 LEU 115 HD13 LEU 115 -8.379 10.948 -2.038 965 HD21 LEU 115 HD21 LEU 115 -9.314 12.096 -5.531 966 HD22 LEU 115 HD22 LEU 115 -10.214 12.117 -4.025 967 HD23 LEU 115 HD23 LEU 115 -10.593 10.910 -5.236 968 H GLY 116 HN GLY 116 -10.554 9.296 -7.809 969 HA2 GLY 116 HA2 GLY 116 -11.399 10.621 -9.468 970 HA3 GLY 116 HA1 GLY 116 -10.334 11.919 -8.944 971 H ASP 117 HN ASP 117 -8.972 12.555 -10.559 972 HA ASP 117 HA ASP 117 -8.244 10.797 -12.774 973 HB2 ASP 117 HB2 ASP 117 -8.945 13.273 -13.010 974 HB3 ASP 117 HB3 ASP 117 -7.422 13.685 -12.253 975 H ILE 118 HN ILE 118 -6.784 11.783 -9.715 976 HA ILE 118 HA ILE 118 -4.035 11.567 -10.583 977 HB ILE 118 HB ILE 118 -5.143 11.445 -7.729 978 HG12 ILE 118 HG12 ILE 118 -4.087 13.916 -7.834 979 HG13 ILE 118 HG13 ILE 118 -4.508 13.802 -9.511 980 HG21 ILE 118 HG21 ILE 118 -2.824 10.579 -7.819 981 HG22 ILE 118 HG22 ILE 118 -2.312 11.989 -8.746 982 HG23 ILE 118 HG23 ILE 118 -2.848 12.158 -7.085 983 HD11 ILE 118 HD11 ILE 118 -6.491 13.330 -7.203 984 HD12 ILE 118 HD12 ILE 118 -6.257 14.879 -7.994 985 HD13 ILE 118 HD13 ILE 118 -6.909 13.529 -8.906 986 H VAL 119 HN VAL 119 -3.109 9.668 -11.141 987 HA VAL 119 HA VAL 119 -3.953 7.139 -9.802 988 HB VAL 119 HB VAL 119 -2.572 7.540 -12.486 989 HG11 VAL 119 HG11 VAL 119 -3.014 5.080 -12.806 990 HG12 VAL 119 HG12 VAL 119 -1.859 5.359 -11.524 991 HG13 VAL 119 HG13 VAL 119 -3.526 4.967 -11.126 992 HG21 VAL 119 HG21 VAL 119 -4.931 8.214 -12.644 993 HG22 VAL 119 HG22 VAL 119 -4.694 6.689 -13.469 994 HG23 VAL 119 HG23 VAL 119 -5.444 6.717 -11.876 995 H PHE 120 HN PHE 120 -2.688 7.534 -7.952 996 HA PHE 120 HA PHE 120 0.156 7.920 -7.986 997 HB2 PHE 120 HB2 PHE 120 -1.176 8.607 -6.141 998 HB3 PHE 120 HB3 PHE 120 -1.823 7.034 -5.866 999 HD1 PHE 120 HD1 PHE 120 -0.742 5.606 -4.235 1000 HD2 PHE 120 HD2 PHE 120 1.435 8.913 -5.943 1001 HE1 PHE 120 HE1 PHE 120 1.118 5.219 -2.670 1002 HE2 PHE 120 HE2 PHE 120 3.305 8.452 -4.405 1003 HZ PHE 120 HZ PHE 120 3.132 6.646 -2.752 1004 H LYS 121 HN LYS 121 1.825 6.438 -7.586 1005 HA LYS 121 HA LYS 121 1.195 3.570 -7.575 1006 HB2 LYS 121 HB2 LYS 121 1.782 4.817 -10.015 1007 HB3 LYS 121 HB3 LYS 121 3.364 4.321 -9.500 1008 HG2 LYS 121 HG2 LYS 121 2.330 1.952 -9.162 1009 HG3 LYS 121 HG3 LYS 121 0.878 2.602 -9.885 1010 HD2 LYS 121 HD2 LYS 121 2.638 3.364 -11.820 1011 HD3 LYS 121 HD3 LYS 121 3.560 2.047 -11.159 1012 HE2 LYS 121 HE2 LYS 121 0.744 1.867 -12.335 1013 HE3 LYS 121 HE3 LYS 121 2.220 1.251 -13.053 1014 HZ1 LYS 121 HZ1 LYS 121 0.995 -0.472 -12.014 1015 HZ2 LYS 121 HZ2 LYS 121 0.975 0.314 -10.568 1016 HZ3 LYS 121 HZ3 LYS 121 2.402 -0.257 -11.180 1017 H ARG 122 HN ARG 122 2.858 2.273 -6.901 1018 HA ARG 122 HA ARG 122 5.430 3.358 -6.077 1019 HB2 ARG 122 HB2 ARG 122 3.679 1.734 -4.152 1020 HB3 ARG 122 HB3 ARG 122 5.352 2.168 -3.921 1021 HG2 ARG 122 HG2 ARG 122 4.604 4.659 -4.035 1022 HG3 ARG 122 HG3 ARG 122 2.983 4.022 -3.983 1023 HD2 ARG 122 HD2 ARG 122 5.029 3.301 -1.850 1024 HD3 ARG 122 HD3 ARG 122 4.095 4.773 -1.739 1025 HE ARG 122 HE ARG 122 2.625 2.233 -2.174 1026 HH11 ARG 122 HH11 ARG 122 3.978 4.410 0.289 1027 HH12 ARG 122 HH12 ARG 122 3.049 3.720 1.593 1028 HH21 ARG 122 HH21 ARG 122 1.411 1.332 -0.443 1029 HH22 ARG 122 HH22 ARG 122 1.569 1.978 1.165 1030 H ILE 123 HN ILE 123 7.013 1.823 -6.127 1031 HA ILE 123 HA ILE 123 6.315 -1.018 -6.659 1032 HB ILE 123 HB ILE 123 8.725 0.474 -7.846 1033 HG12 ILE 123 HG12 ILE 123 7.623 -0.348 -10.074 1034 HG13 ILE 123 HG13 ILE 123 6.149 -0.470 -9.166 1035 HG21 ILE 123 HG21 ILE 123 7.866 -2.445 -8.140 1036 HG22 ILE 123 HG22 ILE 123 9.194 -1.683 -9.009 1037 HG23 ILE 123 HG23 ILE 123 9.291 -1.873 -7.277 1038 HD11 ILE 123 HD11 ILE 123 5.821 1.812 -9.360 1039 HD12 ILE 123 HD12 ILE 123 7.441 2.190 -8.788 1040 HD13 ILE 123 HD13 ILE 123 7.172 1.821 -10.482 1041 H SER 124 HN SER 124 7.152 -2.230 -5.083 1042 HA SER 124 HA SER 124 9.457 -1.300 -3.452 1043 HB2 SER 124 HB2 SER 124 6.838 -2.618 -2.516 1044 HB3 SER 124 HB3 SER 124 8.266 -2.421 -1.513 1045 HG SER 124 HG SER 124 6.754 -0.763 -1.216 1046 H LYS 125 HN LYS 125 10.760 -3.089 -2.631 1047 HA LYS 125 HA LYS 125 10.324 -5.727 -3.888 1048 HB2 LYS 125 HB2 LYS 125 11.589 -4.352 -5.499 1049 HB3 LYS 125 HB3 LYS 125 12.826 -4.024 -4.321 1050 HG2 LYS 125 HG2 LYS 125 12.174 -6.898 -5.015 1051 HG3 LYS 125 HG3 LYS 125 13.042 -5.939 -6.177 1052 HD2 LYS 125 HD2 LYS 125 14.880 -5.551 -4.654 1053 HD3 LYS 125 HD3 LYS 125 14.037 -6.261 -3.311 1054 HE2 LYS 125 HE2 LYS 125 14.005 -8.482 -4.538 1055 HE3 LYS 125 HE3 LYS 125 14.930 -7.747 -5.838 1056 HZ1 LYS 125 HZ1 LYS 125 16.314 -8.895 -4.289 1057 HZ2 LYS 125 HZ2 LYS 125 15.780 -7.962 -3.038 1058 HZ3 LYS 125 HZ3 LYS 125 16.665 -7.283 -4.253 1059 H ARG 126 HN ARG 126 11.219 -7.412 -2.875 1060 HA ARG 126 HA ARG 126 11.022 -7.363 -0.209 1061 HB2 ARG 126 HB2 ARG 126 10.746 -9.323 -1.766 1062 HB3 ARG 126 HB3 ARG 126 12.482 -9.480 -1.814 1063 HG2 ARG 126 HG2 ARG 126 12.326 -9.818 0.809 1064 HG3 ARG 126 HG3 ARG 126 10.609 -9.862 0.546 1065 HD2 ARG 126 HD2 ARG 126 12.562 -11.690 -0.898 1066 HD3 ARG 126 HD3 ARG 126 11.883 -12.148 0.645 1067 HE ARG 126 HE ARG 126 9.763 -11.454 -1.128 1068 HH11 ARG 126 HH11 ARG 126 12.328 -13.917 -0.935 1069 HH12 ARG 126 HH12 ARG 126 11.468 -15.066 -1.921 1070 HH21 ARG 126 HH21 ARG 126 8.681 -12.971 -2.481 1071 HH22 ARG 126 HH22 ARG 126 9.388 -14.533 -2.772 1072 H ILE 127 HN ILE 127 12.209 -7.161 1.567 1073 HA ILE 127 HA ILE 127 15.185 -7.325 1.510 1074 HB ILE 127 HB ILE 127 15.313 -5.550 3.169 1075 HG12 ILE 127 HG12 ILE 127 12.367 -4.927 2.719 1076 HG13 ILE 127 HG13 ILE 127 12.985 -5.749 4.122 1077 HG21 ILE 127 HG21 ILE 127 15.581 -4.998 0.742 1078 HG22 ILE 127 HG22 ILE 127 13.905 -4.467 0.693 1079 HG23 ILE 127 HG23 ILE 127 15.073 -3.626 1.706 1080 HD11 ILE 127 HD11 ILE 127 12.930 -2.885 3.608 1081 HD12 ILE 127 HD12 ILE 127 13.213 -3.741 5.114 1082 HD13 ILE 127 HD13 ILE 127 14.559 -3.399 4.038 Start of MODEL 9 1 H1 HIS -7 HN HIS -7 4.609 -25.875 10.286 2 HA HIS -7 HA HIS -7 5.732 -26.609 7.784 3 HB2 HIS -7 HB2 HIS -7 5.067 -23.697 8.760 4 HB3 HIS -7 HB3 HIS -7 6.468 -23.937 7.762 5 HD1 HIS -7 HD1 HIS -7 6.261 -24.248 5.285 6 HD2 HIS -7 HD2 HIS -7 2.511 -24.003 7.205 7 HE1 HIS -7 HE1 HIS -7 4.475 -23.969 3.517 8 H HIS -6 HN HIS -6 6.069 -25.124 11.002 9 HA HIS -6 HA HIS -6 7.756 -24.875 12.359 10 HB2 HIS -6 HB2 HIS -6 8.110 -27.438 11.746 11 HB3 HIS -6 HB3 HIS -6 9.508 -26.895 10.876 12 HD1 HIS -6 HD1 HIS -6 8.094 -26.181 14.403 13 HD2 HIS -6 HD2 HIS -6 11.711 -27.340 12.566 14 HE1 HIS -6 HE1 HIS -6 9.833 -26.523 16.206 15 H HIS -5 HN HIS -5 10.664 -24.910 11.616 16 HA HIS -5 HA HIS -5 12.245 -23.466 10.829 17 HB2 HIS -5 HB2 HIS -5 10.938 -24.618 8.312 18 HB3 HIS -5 HB3 HIS -5 12.593 -24.083 8.433 19 HD1 HIS -5 HD1 HIS -5 10.763 -27.068 8.324 20 HD2 HIS -5 HD2 HIS -5 13.929 -25.792 10.804 21 HE1 HIS -5 HE1 HIS -5 11.874 -29.115 9.315 22 H HIS -4 HN HIS -4 11.630 -21.269 11.352 23 HA HIS -4 HA HIS -4 11.035 -19.178 11.056 24 HB2 HIS -4 HB2 HIS -4 12.013 -17.989 9.173 25 HB3 HIS -4 HB3 HIS -4 13.088 -19.182 9.805 26 HD1 HIS -4 HD1 HIS -4 11.451 -18.108 6.653 27 HD2 HIS -4 HD2 HIS -4 13.673 -21.433 7.989 28 HE1 HIS -4 HE1 HIS -4 12.188 -19.436 4.635 29 H HIS -3 HN HIS -3 10.158 -17.921 8.337 30 HA HIS -3 HA HIS -3 7.299 -18.253 8.758 31 HB2 HIS -3 HB2 HIS -3 8.816 -16.728 6.597 32 HB3 HIS -3 HB3 HIS -3 7.091 -16.673 6.843 33 HD1 HIS -3 HD1 HIS -3 7.613 -16.513 10.177 34 HD2 HIS -3 HD2 HIS -3 8.961 -13.894 7.157 35 HE1 HIS -3 HE1 HIS -3 8.120 -14.271 11.232 36 H HIS -2 HN HIS -2 9.410 -18.826 5.895 37 HA HIS -2 HA HIS -2 9.399 -20.263 4.212 38 HB2 HIS -2 HB2 HIS -2 10.009 -21.614 6.177 39 HB3 HIS -2 HB3 HIS -2 8.372 -22.171 6.383 40 HD1 HIS -2 HD1 HIS -2 7.677 -23.257 3.598 41 HD2 HIS -2 HD2 HIS -2 11.479 -23.748 5.344 42 HE1 HIS -2 HE1 HIS -2 8.783 -25.282 2.542 43 H VAL -1 HN VAL -1 7.594 -18.825 3.286 44 HA VAL -1 HA VAL -1 5.363 -20.594 2.453 45 HB VAL -1 HB VAL -1 4.868 -17.654 3.112 46 HG11 VAL -1 HG11 VAL -1 2.483 -18.317 2.997 47 HG12 VAL -1 HG12 VAL -1 3.290 -18.722 1.490 48 HG13 VAL -1 HG13 VAL -1 2.941 -19.982 2.663 49 HG21 VAL -1 HG21 VAL -1 5.328 -18.604 5.307 50 HG22 VAL -1 HG22 VAL -1 3.601 -18.376 5.147 51 HG23 VAL -1 HG23 VAL -1 4.284 -19.991 4.984 52 H ALA 0 HN ALA 0 5.015 -20.510 0.329 53 HA ALA 0 HA ALA 0 6.384 -18.463 -1.355 54 HB1 ALA 0 HB1 ALA 0 5.405 -21.300 -2.002 55 HB2 ALA 0 HB2 ALA 0 6.197 -20.205 -3.131 56 HB3 ALA 0 HB3 ALA 0 7.082 -20.827 -1.747 57 H MET 1 HN MET 1 5.209 -17.485 -3.014 58 HA MET 1 HA MET 1 3.554 -16.341 -3.902 59 HB2 MET 1 HB2 MET 1 3.100 -18.680 -4.792 60 HB3 MET 1 HB3 MET 1 1.866 -18.867 -3.593 61 HG2 MET 1 HG2 MET 1 0.399 -17.973 -5.048 62 HG3 MET 1 HG3 MET 1 1.171 -16.422 -4.894 63 HE1 MET 1 HE1 MET 1 2.800 -15.342 -6.581 64 HE2 MET 1 HE2 MET 1 3.976 -16.646 -6.337 65 HE3 MET 1 HE3 MET 1 3.498 -16.176 -7.974 66 H SER 2 HN SER 2 3.921 -15.776 -1.245 67 HA SER 2 HA SER 2 1.203 -15.027 -0.301 68 HB2 SER 2 HB2 SER 2 1.952 -16.918 1.031 69 HB3 SER 2 HB3 SER 2 3.530 -16.195 1.307 70 HG SER 2 HG SER 2 1.022 -15.249 2.231 71 H PHE 3 HN PHE 3 0.966 -13.044 0.424 72 HA PHE 3 HA PHE 3 2.692 -10.957 -0.340 73 HB2 PHE 3 HB2 PHE 3 0.279 -11.112 1.492 74 HB3 PHE 3 HB3 PHE 3 1.057 -9.608 1.122 75 HD1 PHE 3 HD1 PHE 3 0.727 -8.443 -0.961 76 HD2 PHE 3 HD2 PHE 3 -0.861 -12.424 -0.420 77 HE1 PHE 3 HE1 PHE 3 -0.708 -8.166 -2.945 78 HE2 PHE 3 HE2 PHE 3 -2.273 -12.108 -2.411 79 HZ PHE 3 HZ PHE 3 -2.231 -9.966 -3.630 80 H SER 4 HN SER 4 2.742 -12.864 2.574 81 HA SER 4 HA SER 4 3.709 -11.141 4.506 82 HB2 SER 4 HB2 SER 4 4.096 -14.127 3.986 83 HB3 SER 4 HB3 SER 4 4.721 -13.348 5.427 84 HG SER 4 HG SER 4 2.615 -14.204 5.697 85 H GLY 5 HN GLY 5 5.551 -9.992 4.769 86 HA2 GLY 5 HA2 GLY 5 8.148 -10.754 4.675 87 HA3 GLY 5 HA1 GLY 5 7.856 -10.375 2.978 88 H LYS 6 HN LYS 6 9.675 -8.834 3.899 89 HA LYS 6 HA LYS 6 8.469 -6.179 4.540 90 HB2 LYS 6 HB2 LYS 6 9.865 -7.118 6.369 91 HB3 LYS 6 HB3 LYS 6 11.206 -7.314 5.271 92 HG2 LYS 6 HG2 LYS 6 11.247 -4.804 4.911 93 HG3 LYS 6 HG3 LYS 6 9.934 -4.635 6.034 94 HD2 LYS 6 HD2 LYS 6 12.600 -5.933 6.773 95 HD3 LYS 6 HD3 LYS 6 12.316 -4.220 6.920 96 HE2 LYS 6 HE2 LYS 6 10.490 -4.593 8.526 97 HE3 LYS 6 HE3 LYS 6 10.619 -6.338 8.357 98 HZ1 LYS 6 HZ1 LYS 6 12.706 -4.575 9.403 99 HZ2 LYS 6 HZ2 LYS 6 12.827 -6.213 9.235 100 HZ3 LYS 6 HZ3 LYS 6 11.723 -5.568 10.279 101 H TYR 7 HN TYR 7 8.923 -4.563 3.134 102 HA TYR 7 HA TYR 7 10.644 -5.104 0.769 103 HB2 TYR 7 HB2 TYR 7 7.782 -4.006 0.657 104 HB3 TYR 7 HB3 TYR 7 8.795 -4.459 -0.684 105 HD1 TYR 7 HD1 TYR 7 9.096 -6.858 -1.269 106 HD2 TYR 7 HD2 TYR 7 6.517 -5.622 1.962 107 HE1 TYR 7 HE1 TYR 7 8.104 -9.124 -1.201 108 HE2 TYR 7 HE2 TYR 7 5.506 -7.882 2.012 109 HH TYR 7 HH TYR 7 5.435 -9.957 1.031 110 H GLN 8 HN GLN 8 12.082 -3.415 0.599 111 HA GLN 8 HA GLN 8 11.487 -0.772 1.712 112 HB2 GLN 8 HB2 GLN 8 13.797 -1.787 1.661 113 HB3 GLN 8 HB3 GLN 8 13.767 -1.694 -0.076 114 HG2 GLN 8 HG2 GLN 8 13.275 0.948 0.436 115 HG3 GLN 8 HG3 GLN 8 13.946 0.543 1.981 116 HE21 GLN 8 HE21 GLN 8 14.657 1.740 -1.039 117 HE22 GLN 8 HE22 GLN 8 16.364 1.384 -1.099 118 H LEU 9 HN LEU 9 10.900 1.032 0.557 119 HA LEU 9 HA LEU 9 9.579 1.002 -1.922 120 HB2 LEU 9 HB2 LEU 9 9.304 2.712 -0.141 121 HB3 LEU 9 HB3 LEU 9 10.961 3.213 -0.339 122 HG LEU 9 HG LEU 9 10.474 4.043 -2.626 123 HD11 LEU 9 HD11 LEU 9 7.896 2.638 -2.243 124 HD12 LEU 9 HD12 LEU 9 8.706 3.161 -3.712 125 HD13 LEU 9 HD13 LEU 9 7.701 4.283 -2.827 126 HD21 LEU 9 HD21 LEU 9 10.091 6.036 -1.705 127 HD22 LEU 9 HD22 LEU 9 9.756 5.251 -0.175 128 HD23 LEU 9 HD23 LEU 9 8.442 5.618 -1.254 129 H GLN 10 HN GLN 10 10.241 1.059 -3.972 130 HA GLN 10 HA GLN 10 13.119 1.465 -4.629 131 HB2 GLN 10 HB2 GLN 10 10.843 0.267 -6.294 132 HB3 GLN 10 HB3 GLN 10 12.505 0.400 -6.781 133 HG2 GLN 10 HG2 GLN 10 11.404 -1.353 -4.538 134 HG3 GLN 10 HG3 GLN 10 12.005 -1.891 -6.080 135 HE21 GLN 10 HE21 GLN 10 12.825 -1.383 -2.812 136 HE22 GLN 10 HE22 GLN 10 14.559 -1.506 -2.973 137 H SER 11 HN SER 11 9.818 2.294 -5.885 138 HA SER 11 HA SER 11 10.493 5.061 -6.261 139 HB2 SER 11 HB2 SER 11 11.686 3.957 -8.241 140 HB3 SER 11 HB3 SER 11 10.143 3.330 -8.779 141 HG SER 11 HG SER 11 10.699 5.261 -9.814 142 H GLN 12 HN GLN 12 8.647 6.172 -7.509 143 HA GLN 12 HA GLN 12 6.070 4.928 -7.476 144 HB2 GLN 12 HB2 GLN 12 5.061 6.322 -5.729 145 HB3 GLN 12 HB3 GLN 12 6.248 5.286 -5.039 146 HG2 GLN 12 HG2 GLN 12 7.029 8.166 -5.740 147 HG3 GLN 12 HG3 GLN 12 5.917 7.864 -4.437 148 HE21 GLN 12 HE21 GLN 12 7.105 8.489 -2.689 149 HE22 GLN 12 HE22 GLN 12 8.598 7.723 -2.222 150 H GLU 13 HN GLU 13 4.466 6.212 -8.481 151 HA GLU 13 HA GLU 13 5.462 8.640 -9.921 152 HB2 GLU 13 HB2 GLU 13 3.413 6.579 -10.860 153 HB3 GLU 13 HB3 GLU 13 3.816 8.046 -11.679 154 HG2 GLU 13 HG2 GLU 13 5.140 6.645 -12.898 155 HG3 GLU 13 HG3 GLU 13 6.311 7.077 -11.685 156 H ASN 14 HN ASN 14 4.186 10.407 -9.979 157 HA ASN 14 HA ASN 14 2.870 11.975 -9.289 158 HB2 ASN 14 HB2 ASN 14 0.735 9.773 -9.436 159 HB3 ASN 14 HB3 ASN 14 0.328 11.444 -9.183 160 HD21 ASN 14 HD21 ASN 14 0.076 9.383 -11.550 161 HD22 ASN 14 HD22 ASN 14 0.455 10.401 -12.918 162 H PHE 15 HN PHE 15 4.394 10.941 -7.243 163 HA PHE 15 HA PHE 15 3.036 10.436 -4.815 164 HB2 PHE 15 HB2 PHE 15 5.380 9.894 -5.144 165 HB3 PHE 15 HB3 PHE 15 5.808 11.553 -5.418 166 HD1 PHE 15 HD1 PHE 15 6.014 13.157 -3.527 167 HD2 PHE 15 HD2 PHE 15 4.772 9.085 -2.817 168 HE1 PHE 15 HE1 PHE 15 6.272 13.470 -1.110 169 HE2 PHE 15 HE2 PHE 15 5.099 9.428 -0.403 170 HZ PHE 15 HZ PHE 15 5.854 11.615 0.450 171 H GLU 16 HN GLU 16 4.347 13.505 -6.128 172 HA GLU 16 HA GLU 16 3.640 15.106 -3.933 173 HB2 GLU 16 HB2 GLU 16 3.951 16.222 -6.745 174 HB3 GLU 16 HB3 GLU 16 4.361 16.940 -5.228 175 HG2 GLU 16 HG2 GLU 16 6.461 16.458 -5.976 176 HG3 GLU 16 HG3 GLU 16 6.188 15.006 -5.060 177 H ALA 17 HN ALA 17 1.919 14.330 -6.956 178 HA ALA 17 HA ALA 17 -0.220 16.195 -6.680 179 HB1 ALA 17 HB1 ALA 17 -1.276 14.788 -8.456 180 HB2 ALA 17 HB2 ALA 17 0.402 15.144 -8.840 181 HB3 ALA 17 HB3 ALA 17 -0.040 13.555 -8.224 182 H PHE 18 HN PHE 18 0.183 12.782 -5.643 183 HA PHE 18 HA PHE 18 -2.500 12.475 -4.668 184 HB2 PHE 18 HB2 PHE 18 -1.042 10.690 -5.529 185 HB3 PHE 18 HB3 PHE 18 0.036 10.843 -4.179 186 HD1 PHE 18 HD1 PHE 18 -0.569 9.862 -1.979 187 HD2 PHE 18 HD2 PHE 18 -3.391 9.827 -5.238 188 HE1 PHE 18 HE1 PHE 18 -1.988 8.265 -0.756 189 HE2 PHE 18 HE2 PHE 18 -4.783 8.224 -3.994 190 HZ PHE 18 HZ PHE 18 -4.078 7.432 -1.768 191 H MET 19 HN MET 19 0.664 13.209 -3.111 192 HA MET 19 HA MET 19 -0.385 13.254 -0.470 193 HB2 MET 19 HB2 MET 19 2.098 12.969 -1.455 194 HB3 MET 19 HB3 MET 19 2.183 14.662 -1.187 195 HG2 MET 19 HG2 MET 19 2.786 14.048 0.963 196 HG3 MET 19 HG3 MET 19 1.105 13.706 1.245 197 HE1 MET 19 HE1 MET 19 1.256 9.714 0.336 198 HE2 MET 19 HE2 MET 19 0.143 11.072 0.515 199 HE3 MET 19 HE3 MET 19 1.159 10.936 -0.929 200 H LYS 20 HN LYS 20 -0.208 15.711 -3.011 201 HA LYS 20 HA LYS 20 -0.874 17.970 -1.318 202 HB2 LYS 20 HB2 LYS 20 0.280 18.253 -3.486 203 HB3 LYS 20 HB3 LYS 20 -1.065 17.527 -4.325 204 HG2 LYS 20 HG2 LYS 20 -2.491 19.531 -3.354 205 HG3 LYS 20 HG3 LYS 20 -0.962 20.232 -2.933 206 HD2 LYS 20 HD2 LYS 20 -1.872 19.426 -5.735 207 HD3 LYS 20 HD3 LYS 20 -1.911 21.042 -5.090 208 HE2 LYS 20 HE2 LYS 20 0.613 20.999 -4.881 209 HE3 LYS 20 HE3 LYS 20 0.627 19.404 -5.615 210 HZ1 LYS 20 HZ1 LYS 20 1.012 21.110 -7.210 211 HZ2 LYS 20 HZ2 LYS 20 -0.421 21.846 -6.861 212 HZ3 LYS 20 HZ3 LYS 20 -0.411 20.348 -7.552 213 H ALA 21 HN ALA 21 -2.698 15.698 -3.445 214 HA ALA 21 HA ALA 21 -5.192 16.937 -3.309 215 HB1 ALA 21 HB1 ALA 21 -4.642 15.287 -5.025 216 HB2 ALA 21 HB2 ALA 21 -4.455 14.010 -3.825 217 HB3 ALA 21 HB3 ALA 21 -6.040 14.707 -4.142 218 H ILE 22 HN ILE 22 -3.801 14.507 -1.087 219 HA ILE 22 HA ILE 22 -6.230 14.168 0.448 220 HB ILE 22 HB ILE 22 -4.785 12.987 2.033 221 HG12 ILE 22 HG12 ILE 22 -2.451 13.634 0.215 222 HG13 ILE 22 HG13 ILE 22 -2.684 14.369 1.764 223 HG21 ILE 22 HG21 ILE 22 -4.308 12.044 -0.816 224 HG22 ILE 22 HG22 ILE 22 -4.279 11.056 0.639 225 HG23 ILE 22 HG23 ILE 22 -5.776 11.796 0.114 226 HD11 ILE 22 HD11 ILE 22 -1.090 12.633 2.109 227 HD12 ILE 22 HD12 ILE 22 -2.595 12.055 2.818 228 HD13 ILE 22 HD13 ILE 22 -2.059 11.444 1.248 229 H GLY 23 HN GLY 23 -3.830 16.683 0.406 230 HA2 GLY 23 HA2 GLY 23 -4.009 18.679 1.523 231 HA3 GLY 23 HA1 GLY 23 -5.179 18.020 2.640 232 H LEU 24 HN LEU 24 -2.074 16.292 2.162 233 HA LEU 24 HA LEU 24 -1.126 16.872 4.831 234 HB2 LEU 24 HB2 LEU 24 -0.323 15.158 2.534 235 HB3 LEU 24 HB3 LEU 24 1.048 15.941 3.243 236 HG LEU 24 HG LEU 24 0.399 15.093 5.479 237 HD11 LEU 24 HD11 LEU 24 -1.319 12.891 4.848 238 HD12 LEU 24 HD12 LEU 24 -2.079 14.319 4.183 239 HD13 LEU 24 HD13 LEU 24 -1.650 14.265 5.883 240 HD21 LEU 24 HD21 LEU 24 1.872 13.824 3.573 241 HD22 LEU 24 HD22 LEU 24 0.691 12.574 3.908 242 HD23 LEU 24 HD23 LEU 24 1.668 13.237 5.210 243 HA PRO 25 HA PRO 25 0.748 20.820 3.799 244 HB2 PRO 25 HB2 PRO 25 2.800 20.954 5.655 245 HB3 PRO 25 HB3 PRO 25 1.100 21.118 6.068 246 HG2 PRO 25 HG2 PRO 25 2.793 18.620 6.226 247 HG3 PRO 25 HG3 PRO 25 1.785 19.290 7.506 248 HD2 PRO 25 HD2 PRO 25 0.879 17.288 5.927 249 HD3 PRO 25 HD3 PRO 25 -0.232 18.597 6.358 250 H GLU 26 HN GLU 26 2.254 21.549 2.329 251 HA GLU 26 HA GLU 26 3.619 19.815 0.682 252 HB2 GLU 26 HB2 GLU 26 2.869 22.082 0.089 253 HB3 GLU 26 HB3 GLU 26 4.092 22.783 1.112 254 HG2 GLU 26 HG2 GLU 26 5.888 21.748 -0.363 255 HG3 GLU 26 HG3 GLU 26 4.635 21.068 -1.378 256 H GLU 27 HN GLU 27 4.806 21.241 3.643 257 HA GLU 27 HA GLU 27 7.558 20.810 3.358 258 HB2 GLU 27 HB2 GLU 27 6.182 22.200 5.010 259 HB3 GLU 27 HB3 GLU 27 5.891 20.748 5.909 260 HG2 GLU 27 HG2 GLU 27 8.120 20.557 6.656 261 HG3 GLU 27 HG3 GLU 27 8.776 21.431 5.287 262 H LEU 28 HN LEU 28 5.005 18.624 4.726 263 HA LEU 28 HA LEU 28 6.755 16.371 5.118 264 HB2 LEU 28 HB2 LEU 28 3.754 16.835 5.166 265 HB3 LEU 28 HB3 LEU 28 4.337 15.214 5.044 266 HG LEU 28 HG LEU 28 5.637 15.386 7.073 267 HD11 LEU 28 HD11 LEU 28 6.330 17.424 7.778 268 HD12 LEU 28 HD12 LEU 28 4.770 17.564 8.562 269 HD13 LEU 28 HD13 LEU 28 5.018 18.290 6.994 270 HD21 LEU 28 HD21 LEU 28 3.034 16.208 8.203 271 HD22 LEU 28 HD22 LEU 28 3.854 14.653 8.239 272 HD23 LEU 28 HD23 LEU 28 2.864 15.100 6.862 273 H ILE 29 HN ILE 29 5.162 17.646 2.232 274 HA ILE 29 HA ILE 29 5.286 15.150 0.748 275 HB ILE 29 HB ILE 29 5.135 17.981 -0.385 276 HG12 ILE 29 HG12 ILE 29 2.848 16.118 0.323 277 HG13 ILE 29 HG13 ILE 29 3.224 17.579 1.141 278 HG21 ILE 29 HG21 ILE 29 5.841 16.312 -2.093 279 HG22 ILE 29 HG22 ILE 29 4.456 15.311 -1.686 280 HG23 ILE 29 HG23 ILE 29 4.238 16.893 -2.425 281 HD11 ILE 29 HD11 ILE 29 1.995 17.243 -1.594 282 HD12 ILE 29 HD12 ILE 29 1.502 18.289 -0.269 283 HD13 ILE 29 HD13 ILE 29 2.893 18.718 -1.260 284 H GLN 30 HN GLN 30 7.241 18.225 0.713 285 HA GLN 30 HA GLN 30 9.205 17.132 -1.065 286 HB2 GLN 30 HB2 GLN 30 9.371 19.622 0.696 287 HB3 GLN 30 HB3 GLN 30 10.412 19.246 -0.643 288 HG2 GLN 30 HG2 GLN 30 7.534 20.154 -0.708 289 HG3 GLN 30 HG3 GLN 30 8.905 20.871 -1.480 290 HE21 GLN 30 HE21 GLN 30 6.090 19.495 -2.221 291 HE22 GLN 30 HE22 GLN 30 6.498 18.654 -3.693 292 H LYS 31 HN LYS 31 8.972 17.101 2.456 293 HA LYS 31 HA LYS 31 11.737 16.195 2.807 294 HB2 LYS 31 HB2 LYS 31 9.356 16.399 4.695 295 HB3 LYS 31 HB3 LYS 31 10.917 15.809 5.187 296 HG2 LYS 31 HG2 LYS 31 12.013 17.908 4.797 297 HG3 LYS 31 HG3 LYS 31 10.691 18.546 3.877 298 HD2 LYS 31 HD2 LYS 31 10.576 19.660 5.944 299 HD3 LYS 31 HD3 LYS 31 9.256 18.527 5.965 300 HE2 LYS 31 HE2 LYS 31 10.537 16.977 7.423 301 HE3 LYS 31 HE3 LYS 31 11.917 18.065 7.381 302 HZ1 LYS 31 HZ1 LYS 31 10.597 18.406 9.323 303 HZ2 LYS 31 HZ2 LYS 31 9.255 18.738 8.425 304 HZ3 LYS 31 HZ3 LYS 31 10.548 19.756 8.379 305 H GLY 32 HN GLY 32 8.482 14.754 2.455 306 HA2 GLY 32 HA2 GLY 32 9.257 12.117 3.349 307 HA3 GLY 32 HA1 GLY 32 7.729 12.603 2.650 308 H LYS 33 HN LYS 33 9.318 13.722 0.166 309 HA LYS 33 HA LYS 33 9.119 11.356 -1.418 310 HB2 LYS 33 HB2 LYS 33 9.613 12.749 -3.265 311 HB3 LYS 33 HB3 LYS 33 8.636 13.703 -2.191 312 HG2 LYS 33 HG2 LYS 33 10.854 14.729 -1.327 313 HG3 LYS 33 HG3 LYS 33 11.652 13.868 -2.619 314 HD2 LYS 33 HD2 LYS 33 10.328 15.074 -4.315 315 HD3 LYS 33 HD3 LYS 33 9.504 15.966 -3.062 316 HE2 LYS 33 HE2 LYS 33 11.706 16.927 -2.290 317 HE3 LYS 33 HE3 LYS 33 12.544 16.000 -3.521 318 HZ1 LYS 33 HZ1 LYS 33 12.163 18.227 -4.205 319 HZ2 LYS 33 HZ2 LYS 33 10.529 18.068 -4.014 320 HZ3 LYS 33 HZ3 LYS 33 11.314 17.202 -5.181 321 H ASP 34 HN ASP 34 11.909 13.040 0.064 322 HA ASP 34 HA ASP 34 13.861 11.290 -1.181 323 HB2 ASP 34 HB2 ASP 34 14.267 13.409 0.974 324 HB3 ASP 34 HB3 ASP 34 15.531 12.445 0.298 325 H ILE 35 HN ILE 35 12.002 11.191 1.828 326 HA ILE 35 HA ILE 35 13.853 9.375 3.146 327 HB ILE 35 HB ILE 35 10.987 10.136 3.771 328 HG12 ILE 35 HG12 ILE 35 12.771 11.914 4.048 329 HG13 ILE 35 HG13 ILE 35 11.779 11.577 5.425 330 HG21 ILE 35 HG21 ILE 35 11.397 9.075 6.052 331 HG22 ILE 35 HG22 ILE 35 11.235 7.913 4.758 332 HG23 ILE 35 HG23 ILE 35 12.827 8.306 5.388 333 HD11 ILE 35 HD11 ILE 35 14.339 11.885 5.788 334 HD12 ILE 35 HD12 ILE 35 13.565 10.547 6.625 335 HD13 ILE 35 HD13 ILE 35 14.516 10.251 5.171 336 H LYS 36 HN LYS 36 14.261 7.603 2.037 337 HA LYS 36 HA LYS 36 12.523 6.071 0.452 338 HB2 LYS 36 HB2 LYS 36 14.354 4.385 0.552 339 HB3 LYS 36 HB3 LYS 36 14.842 5.961 0.041 340 HG2 LYS 36 HG2 LYS 36 15.223 5.657 2.966 341 HG3 LYS 36 HG3 LYS 36 16.006 4.382 2.082 342 HD2 LYS 36 HD2 LYS 36 17.223 6.061 0.706 343 HD3 LYS 36 HD3 LYS 36 16.385 7.361 1.517 344 HE2 LYS 36 HE2 LYS 36 17.430 6.700 3.697 345 HE3 LYS 36 HE3 LYS 36 18.240 5.355 2.910 346 HZ1 LYS 36 HZ1 LYS 36 19.667 7.232 3.123 347 HZ2 LYS 36 HZ2 LYS 36 18.637 8.187 2.261 348 HZ3 LYS 36 HZ3 LYS 36 19.396 6.921 1.528 349 H GLY 37 HN GLY 37 10.685 5.361 1.268 350 HA2 GLY 37 HA2 GLY 37 10.277 4.567 3.967 351 HA3 GLY 37 HA1 GLY 37 9.130 4.443 2.638 352 H VAL 38 HN VAL 38 9.022 2.508 4.432 353 HA VAL 38 HA VAL 38 9.870 0.099 2.942 354 HB VAL 38 HB VAL 38 10.102 0.490 5.976 355 HG11 VAL 38 HG11 VAL 38 11.014 -1.867 6.037 356 HG12 VAL 38 HG12 VAL 38 9.312 -1.799 5.662 357 HG13 VAL 38 HG13 VAL 38 10.485 -2.081 4.375 358 HG21 VAL 38 HG21 VAL 38 12.307 -0.044 3.940 359 HG22 VAL 38 HG22 VAL 38 12.081 1.431 4.878 360 HG23 VAL 38 HG23 VAL 38 12.520 -0.057 5.688 361 H SER 39 HN SER 39 8.316 -1.469 2.937 362 HA SER 39 HA SER 39 5.851 -1.062 4.532 363 HB2 SER 39 HB2 SER 39 5.426 -0.699 2.096 364 HB3 SER 39 HB3 SER 39 6.139 -2.256 1.725 365 HG SER 39 HG SER 39 3.837 -1.810 3.331 366 H GLU 40 HN GLU 40 4.998 -2.923 5.509 367 HA GLU 40 HA GLU 40 6.498 -5.454 5.322 368 HB2 GLU 40 HB2 GLU 40 7.596 -4.232 7.150 369 HB3 GLU 40 HB3 GLU 40 6.075 -3.903 7.914 370 HG2 GLU 40 HG2 GLU 40 5.771 -6.484 8.142 371 HG3 GLU 40 HG3 GLU 40 7.426 -6.628 7.599 372 H ILE 41 HN ILE 41 5.021 -6.867 4.749 373 HA ILE 41 HA ILE 41 2.160 -6.433 5.502 374 HB ILE 41 HB ILE 41 3.324 -8.058 3.212 375 HG12 ILE 41 HG12 ILE 41 2.234 -5.244 2.919 376 HG13 ILE 41 HG13 ILE 41 3.928 -5.613 2.913 377 HG21 ILE 41 HG21 ILE 41 0.951 -7.778 2.263 378 HG22 ILE 41 HG22 ILE 41 1.027 -8.759 3.710 379 HG23 ILE 41 HG23 ILE 41 0.488 -7.082 3.793 380 HD11 ILE 41 HD11 ILE 41 3.550 -5.580 0.642 381 HD12 ILE 41 HD12 ILE 41 3.341 -7.301 0.941 382 HD13 ILE 41 HD13 ILE 41 1.935 -6.262 0.755 383 H VAL 42 HN VAL 42 0.986 -8.249 6.271 384 HA VAL 42 HA VAL 42 2.399 -10.831 6.635 385 HB VAL 42 HB VAL 42 0.893 -9.466 8.918 386 HG11 VAL 42 HG11 VAL 42 0.786 -11.967 8.960 387 HG12 VAL 42 HG12 VAL 42 2.536 -12.039 8.897 388 HG13 VAL 42 HG13 VAL 42 1.729 -11.337 10.296 389 HG21 VAL 42 HG21 VAL 42 3.909 -9.748 8.628 390 HG22 VAL 42 HG22 VAL 42 2.995 -8.243 8.711 391 HG23 VAL 42 HG23 VAL 42 3.073 -9.294 10.110 392 H GLN 43 HN GLN 43 1.139 -12.027 5.337 393 HA GLN 43 HA GLN 43 -1.804 -11.891 5.413 394 HB2 GLN 43 HB2 GLN 43 -0.695 -12.184 3.272 395 HB3 GLN 43 HB3 GLN 43 0.207 -13.560 3.847 396 HG2 GLN 43 HG2 GLN 43 -1.906 -14.890 4.055 397 HG3 GLN 43 HG3 GLN 43 -2.847 -13.484 3.611 398 HE21 GLN 43 HE21 GLN 43 -3.734 -14.839 1.878 399 HE22 GLN 43 HE22 GLN 43 -2.819 -15.099 0.414 400 H ASN 44 HN ASN 44 -3.027 -13.223 6.623 401 HA ASN 44 HA ASN 44 -1.925 -15.694 7.810 402 HB2 ASN 44 HB2 ASN 44 -3.364 -13.413 9.286 403 HB3 ASN 44 HB3 ASN 44 -3.284 -15.036 9.926 404 HD21 ASN 44 HD21 ASN 44 -1.921 -12.174 10.445 405 HD22 ASN 44 HD22 ASN 44 -0.336 -12.691 10.959 406 H GLY 45 HN GLY 45 -3.074 -16.283 5.738 407 HA2 GLY 45 HA2 GLY 45 -4.776 -17.441 4.755 408 HA3 GLY 45 HA1 GLY 45 -5.640 -17.452 6.285 409 H LYS 46 HN LYS 46 -7.364 -16.055 6.542 410 HA LYS 46 HA LYS 46 -8.250 -14.361 4.330 411 HB2 LYS 46 HB2 LYS 46 -9.449 -14.857 7.089 412 HB3 LYS 46 HB3 LYS 46 -10.226 -14.007 5.782 413 HG2 LYS 46 HG2 LYS 46 -9.532 -16.976 5.797 414 HG3 LYS 46 HG3 LYS 46 -11.088 -16.267 6.052 415 HD2 LYS 46 HD2 LYS 46 -11.399 -16.744 3.848 416 HD3 LYS 46 HD3 LYS 46 -10.709 -15.169 3.648 417 HE2 LYS 46 HE2 LYS 46 -9.693 -16.705 2.050 418 HE3 LYS 46 HE3 LYS 46 -8.449 -16.196 3.163 419 HZ1 LYS 46 HZ1 LYS 46 -8.773 -18.246 4.364 420 HZ2 LYS 46 HZ2 LYS 46 -8.387 -18.525 2.785 421 HZ3 LYS 46 HZ3 LYS 46 -9.941 -18.715 3.301 422 H HIS 47 HN HIS 47 -6.823 -13.859 7.609 423 HA HIS 47 HA HIS 47 -7.315 -11.015 7.508 424 HB2 HIS 47 HB2 HIS 47 -7.199 -12.321 9.641 425 HB3 HIS 47 HB3 HIS 47 -5.480 -12.507 9.413 426 HD1 HIS 47 HD1 HIS 47 -8.076 -9.662 9.590 427 HD2 HIS 47 HD2 HIS 47 -4.016 -10.318 10.535 428 HE1 HIS 47 HE1 HIS 47 -7.161 -7.568 10.678 429 H PHE 48 HN PHE 48 -5.866 -9.366 7.289 430 HA PHE 48 HA PHE 48 -3.191 -9.817 6.113 431 HB2 PHE 48 HB2 PHE 48 -5.613 -8.505 4.883 432 HB3 PHE 48 HB3 PHE 48 -4.067 -7.761 4.594 433 HD1 PHE 48 HD1 PHE 48 -6.091 -10.794 3.941 434 HD2 PHE 48 HD2 PHE 48 -2.320 -8.816 3.269 435 HE1 PHE 48 HE1 PHE 48 -5.584 -12.351 2.098 436 HE2 PHE 48 HE2 PHE 48 -1.865 -10.357 1.419 437 HZ PHE 48 HZ PHE 48 -3.481 -12.109 0.822 438 H LYS 49 HN LYS 49 -1.876 -8.796 7.449 439 HA LYS 49 HA LYS 49 -2.608 -6.111 8.498 440 HB2 LYS 49 HB2 LYS 49 -1.139 -8.233 9.670 441 HB3 LYS 49 HB3 LYS 49 0.104 -7.188 9.075 442 HG2 LYS 49 HG2 LYS 49 -1.439 -5.285 10.275 443 HG3 LYS 49 HG3 LYS 49 -2.068 -6.684 11.106 444 HD2 LYS 49 HD2 LYS 49 -0.412 -5.849 12.540 445 HD3 LYS 49 HD3 LYS 49 0.315 -7.257 11.805 446 HE2 LYS 49 HE2 LYS 49 1.601 -5.829 10.221 447 HE3 LYS 49 HE3 LYS 49 0.775 -4.396 10.808 448 HZ1 LYS 49 HZ1 LYS 49 2.921 -4.656 11.765 449 HZ2 LYS 49 HZ2 LYS 49 2.508 -6.104 12.442 450 HZ3 LYS 49 HZ3 LYS 49 1.755 -4.711 12.925 451 H PHE 50 HN PHE 50 -1.734 -4.347 7.583 452 HA PHE 50 HA PHE 50 0.579 -4.560 5.720 453 HB2 PHE 50 HB2 PHE 50 -2.074 -3.175 5.346 454 HB3 PHE 50 HB3 PHE 50 -0.661 -2.304 4.832 455 HD1 PHE 50 HD1 PHE 50 -2.573 -5.487 4.343 456 HD2 PHE 50 HD2 PHE 50 0.530 -2.904 2.812 457 HE1 PHE 50 HE1 PHE 50 -2.516 -6.762 2.239 458 HE2 PHE 50 HE2 PHE 50 0.549 -4.197 0.721 459 HZ PHE 50 HZ PHE 50 -0.971 -6.123 0.434 460 H THR 51 HN THR 51 2.175 -3.160 6.159 461 HA THR 51 HA THR 51 1.747 -0.954 8.093 462 HB THR 51 HB THR 51 4.237 -2.735 8.012 463 HG1 THR 51 HG1 THR 51 2.557 -3.891 8.862 464 HG21 THR 51 HG21 THR 51 4.763 -0.469 8.877 465 HG22 THR 51 HG22 THR 51 4.849 -1.660 10.160 466 HG23 THR 51 HG23 THR 51 3.451 -0.600 10.047 467 H ILE 52 HN ILE 52 2.884 0.915 7.485 468 HA ILE 52 HA ILE 52 4.905 0.765 5.352 469 HB ILE 52 HB ILE 52 2.606 2.763 5.206 470 HG12 ILE 52 HG12 ILE 52 3.036 0.502 3.234 471 HG13 ILE 52 HG13 ILE 52 1.852 0.437 4.507 472 HG21 ILE 52 HG21 ILE 52 3.586 3.435 3.019 473 HG22 ILE 52 HG22 ILE 52 4.699 3.723 4.324 474 HG23 ILE 52 HG23 ILE 52 4.927 2.321 3.283 475 HD11 ILE 52 HD11 ILE 52 1.745 2.127 2.040 476 HD12 ILE 52 HD12 ILE 52 0.488 1.196 2.839 477 HD13 ILE 52 HD13 ILE 52 0.980 2.748 3.502 478 H THR 53 HN THR 53 6.536 2.310 5.720 479 HA THR 53 HA THR 53 6.056 4.417 7.765 480 HB THR 53 HB THR 53 8.456 2.503 7.715 481 HG1 THR 53 HG1 THR 53 6.586 1.685 8.691 482 HG21 THR 53 HG21 THR 53 7.925 4.897 9.563 483 HG22 THR 53 HG22 THR 53 9.246 4.776 8.404 484 HG23 THR 53 HG23 THR 53 9.201 3.706 9.792 485 H ALA 54 HN ALA 54 6.699 6.340 6.991 486 HA ALA 54 HA ALA 54 8.996 6.735 5.317 487 HB1 ALA 54 HB1 ALA 54 7.736 7.567 3.299 488 HB2 ALA 54 HB2 ALA 54 7.435 5.857 3.544 489 HB3 ALA 54 HB3 ALA 54 6.218 7.034 4.020 490 H GLY 55 HN GLY 55 9.407 8.981 4.965 491 HA2 GLY 55 HA2 GLY 55 9.332 11.229 5.359 492 HA3 GLY 55 HA1 GLY 55 7.674 11.109 5.920 493 H SER 56 HN SER 56 7.326 10.366 8.149 494 HA SER 56 HA SER 56 9.421 9.987 10.042 495 HB2 SER 56 HB2 SER 56 9.192 12.050 11.346 496 HB3 SER 56 HB3 SER 56 9.666 12.486 9.731 497 HG SER 56 HG SER 56 7.100 12.638 10.907 498 H LYS 57 HN LYS 57 6.859 8.750 9.071 499 HA LYS 57 HA LYS 57 5.460 8.453 11.649 500 HB2 LYS 57 HB2 LYS 57 3.279 8.978 10.634 501 HB3 LYS 57 HB3 LYS 57 4.353 10.334 10.564 502 HG2 LYS 57 HG2 LYS 57 3.588 10.506 8.436 503 HG3 LYS 57 HG3 LYS 57 4.883 9.433 8.096 504 HD2 LYS 57 HD2 LYS 57 3.214 8.318 6.959 505 HD3 LYS 57 HD3 LYS 57 3.080 7.495 8.478 506 HE2 LYS 57 HE2 LYS 57 0.841 8.082 7.756 507 HE3 LYS 57 HE3 LYS 57 1.210 9.049 9.173 508 HZ1 LYS 57 HZ1 LYS 57 1.453 9.921 6.375 509 HZ2 LYS 57 HZ2 LYS 57 1.749 10.862 7.698 510 HZ3 LYS 57 HZ3 LYS 57 0.221 10.316 7.392 511 H VAL 58 HN VAL 58 4.141 6.635 11.809 512 HA VAL 58 HA VAL 58 4.723 4.441 9.871 513 HB VAL 58 HB VAL 58 4.045 4.307 12.846 514 HG11 VAL 58 HG11 VAL 58 3.123 2.294 11.784 515 HG12 VAL 58 HG12 VAL 58 4.614 2.036 10.882 516 HG13 VAL 58 HG13 VAL 58 4.586 1.849 12.631 517 HG21 VAL 58 HG21 VAL 58 6.364 5.070 12.553 518 HG22 VAL 58 HG22 VAL 58 6.346 3.423 13.151 519 HG23 VAL 58 HG23 VAL 58 6.695 3.736 11.458 520 H ILE 59 HN ILE 59 3.079 3.567 8.895 521 HA ILE 59 HA ILE 59 0.235 4.146 9.541 522 HB ILE 59 HB ILE 59 1.810 3.256 7.110 523 HG12 ILE 59 HG12 ILE 59 -0.136 5.488 6.852 524 HG13 ILE 59 HG13 ILE 59 1.225 5.794 7.879 525 HG21 ILE 59 HG21 ILE 59 0.002 1.804 6.791 526 HG22 ILE 59 HG22 ILE 59 -1.168 3.003 7.302 527 HG23 ILE 59 HG23 ILE 59 -0.336 3.177 5.758 528 HD11 ILE 59 HD11 ILE 59 1.846 6.513 5.672 529 HD12 ILE 59 HD12 ILE 59 2.795 5.079 6.012 530 HD13 ILE 59 HD13 ILE 59 1.386 4.973 4.948 531 H GLN 60 HN GLN 60 -1.101 2.403 9.995 532 HA GLN 60 HA GLN 60 -0.256 -0.294 9.304 533 HB2 GLN 60 HB2 GLN 60 -1.012 0.457 12.158 534 HB3 GLN 60 HB3 GLN 60 -1.204 -1.158 11.533 535 HG2 GLN 60 HG2 GLN 60 1.264 -1.219 10.965 536 HG3 GLN 60 HG3 GLN 60 1.459 0.331 11.750 537 HE21 GLN 60 HE21 GLN 60 1.006 0.484 14.097 538 HE22 GLN 60 HE22 GLN 60 1.154 -0.944 15.087 539 H ASN 61 HN ASN 61 -1.818 -1.367 8.385 540 HA ASN 61 HA ASN 61 -4.665 -0.531 8.679 541 HB2 ASN 61 HB2 ASN 61 -3.196 -1.480 6.157 542 HB3 ASN 61 HB3 ASN 61 -4.926 -1.334 6.287 543 HD21 ASN 61 HD21 ASN 61 -5.728 0.481 5.332 544 HD22 ASN 61 HD22 ASN 61 -4.892 2.008 5.226 545 H GLU 62 HN GLU 62 -6.045 -2.227 9.055 546 HA GLU 62 HA GLU 62 -5.041 -5.026 8.927 547 HB2 GLU 62 HB2 GLU 62 -6.246 -3.556 11.308 548 HB3 GLU 62 HB3 GLU 62 -6.313 -5.294 11.174 549 HG2 GLU 62 HG2 GLU 62 -3.873 -5.462 11.076 550 HG3 GLU 62 HG3 GLU 62 -3.676 -3.725 11.078 551 H PHE 63 HN PHE 63 -6.379 -6.255 7.832 552 HA PHE 63 HA PHE 63 -9.235 -5.891 7.982 553 HB2 PHE 63 HB2 PHE 63 -9.584 -5.661 5.548 554 HB3 PHE 63 HB3 PHE 63 -8.733 -4.294 6.179 555 HD1 PHE 63 HD1 PHE 63 -6.399 -3.833 5.492 556 HD2 PHE 63 HD2 PHE 63 -8.421 -7.391 4.113 557 HE1 PHE 63 HE1 PHE 63 -4.680 -4.168 3.762 558 HE2 PHE 63 HE2 PHE 63 -6.672 -7.696 2.405 559 HZ PHE 63 HZ PHE 63 -4.831 -6.077 2.211 560 H THR 64 HN THR 64 -10.453 -7.589 7.024 561 HA THR 64 HA THR 64 -8.932 -10.079 6.433 562 HB THR 64 HB THR 64 -11.610 -9.805 7.906 563 HG1 THR 64 HG1 THR 64 -10.445 -10.629 9.645 564 HG21 THR 64 HG21 THR 64 -9.927 -12.300 7.368 565 HG22 THR 64 HG22 THR 64 -11.479 -11.963 6.598 566 HG23 THR 64 HG23 THR 64 -11.385 -12.257 8.330 567 H VAL 65 HN VAL 65 -9.367 -10.864 4.444 568 HA VAL 65 HA VAL 65 -10.866 -9.181 2.733 569 HB VAL 65 HB VAL 65 -10.208 -10.652 0.914 570 HG11 VAL 65 HG11 VAL 65 -7.735 -10.321 1.162 571 HG12 VAL 65 HG12 VAL 65 -8.685 -8.917 1.614 572 HG13 VAL 65 HG13 VAL 65 -7.976 -9.943 2.853 573 HG21 VAL 65 HG21 VAL 65 -10.307 -12.916 1.778 574 HG22 VAL 65 HG22 VAL 65 -8.660 -12.590 1.282 575 HG23 VAL 65 HG23 VAL 65 -9.080 -12.570 2.987 576 H GLY 66 HN GLY 66 -12.839 -9.247 1.958 577 HA2 GLY 66 HA2 GLY 66 -14.933 -10.075 1.369 578 HA3 GLY 66 HA1 GLY 66 -14.632 -11.598 2.177 579 H GLU 67 HN GLU 67 -13.667 -9.020 4.277 580 HA GLU 67 HA GLU 67 -16.334 -8.856 5.615 581 HB2 GLU 67 HB2 GLU 67 -13.618 -9.163 6.977 582 HB3 GLU 67 HB3 GLU 67 -15.167 -9.048 7.755 583 HG2 GLU 67 HG2 GLU 67 -15.864 -11.238 6.740 584 HG3 GLU 67 HG3 GLU 67 -14.313 -11.369 5.940 585 H GLU 68 HN GLU 68 -16.803 -6.903 6.646 586 HA GLU 68 HA GLU 68 -15.471 -4.560 5.619 587 HB2 GLU 68 HB2 GLU 68 -17.909 -4.692 5.879 588 HB3 GLU 68 HB3 GLU 68 -17.754 -4.863 7.605 589 HG2 GLU 68 HG2 GLU 68 -16.691 -2.568 7.738 590 HG3 GLU 68 HG3 GLU 68 -16.840 -2.411 6.002 591 H CYS 69 HN CYS 69 -13.740 -3.613 6.437 592 HA CYS 69 HA CYS 69 -13.090 -3.716 9.332 593 HB2 CYS 69 HB2 CYS 69 -11.253 -4.566 7.024 594 HB3 CYS 69 HB3 CYS 69 -10.714 -4.269 8.670 595 HG CYS 69 HG CYS 69 -12.886 -6.486 7.577 596 H GLU 70 HN GLU 70 -11.629 -2.031 9.992 597 HA GLU 70 HA GLU 70 -12.104 0.360 8.393 598 HB2 GLU 70 HB2 GLU 70 -12.545 -0.025 10.946 599 HB3 GLU 70 HB3 GLU 70 -10.848 0.310 11.137 600 HG2 GLU 70 HG2 GLU 70 -11.264 2.481 9.775 601 HG3 GLU 70 HG3 GLU 70 -12.961 2.111 9.847 602 H LEU 71 HN LEU 71 -10.685 0.933 6.885 603 HA LEU 71 HA LEU 71 -7.792 0.367 7.094 604 HB2 LEU 71 HB2 LEU 71 -9.734 1.173 4.905 605 HB3 LEU 71 HB3 LEU 71 -8.088 1.693 4.741 606 HG LEU 71 HG LEU 71 -7.229 -0.571 4.900 607 HD11 LEU 71 HD11 LEU 71 -10.070 -1.328 5.505 608 HD12 LEU 71 HD12 LEU 71 -8.557 -1.983 6.120 609 HD13 LEU 71 HD13 LEU 71 -9.131 -2.441 4.528 610 HD21 LEU 71 HD21 LEU 71 -8.589 0.579 2.697 611 HD22 LEU 71 HD22 LEU 71 -9.067 -1.103 2.693 612 HD23 LEU 71 HD23 LEU 71 -7.362 -0.676 2.663 613 H GLU 72 HN GLU 72 -6.263 1.878 7.316 614 HA GLU 72 HA GLU 72 -6.935 4.616 8.109 615 HB2 GLU 72 HB2 GLU 72 -5.413 3.211 9.456 616 HB3 GLU 72 HB3 GLU 72 -4.384 2.929 8.108 617 HG2 GLU 72 HG2 GLU 72 -4.777 5.811 9.007 618 HG3 GLU 72 HG3 GLU 72 -3.888 4.736 10.042 619 H THR 73 HN THR 73 -5.838 6.441 7.204 620 HA THR 73 HA THR 73 -4.762 6.176 4.443 621 HB THR 73 HB THR 73 -5.905 8.178 3.770 622 HG1 THR 73 HG1 THR 73 -5.952 9.384 5.637 623 HG21 THR 73 HG21 THR 73 -8.155 6.686 5.169 624 HG22 THR 73 HG22 THR 73 -7.289 5.998 3.807 625 HG23 THR 73 HG23 THR 73 -8.166 7.514 3.607 626 H MET 74 HN MET 74 -3.388 8.023 3.861 627 HA MET 74 HA MET 74 -1.316 8.519 5.624 628 HB2 MET 74 HB2 MET 74 -2.274 9.749 3.025 629 HB3 MET 74 HB3 MET 74 -0.935 10.499 3.839 630 HG2 MET 74 HG2 MET 74 -0.875 7.533 3.189 631 HG3 MET 74 HG3 MET 74 -0.397 8.760 2.041 632 HE1 MET 74 HE1 MET 74 2.018 7.845 1.695 633 HE2 MET 74 HE2 MET 74 3.082 7.376 3.028 634 HE3 MET 74 HE3 MET 74 1.577 6.491 2.748 635 H THR 75 HN THR 75 -4.268 10.478 5.328 636 HA THR 75 HA THR 75 -3.276 12.740 6.853 637 HB THR 75 HB THR 75 -5.724 13.373 6.840 638 HG1 THR 75 HG1 THR 75 -7.167 12.053 5.807 639 HG21 THR 75 HG21 THR 75 -4.398 14.072 4.883 640 HG22 THR 75 HG22 THR 75 -6.017 13.590 4.384 641 HG23 THR 75 HG23 THR 75 -4.657 12.502 4.126 642 H GLY 76 HN GLY 76 -4.203 9.567 7.813 643 HA2 GLY 76 HA2 GLY 76 -4.251 8.740 9.960 644 HA3 GLY 76 HA1 GLY 76 -4.423 10.341 10.649 645 H GLU 77 HN GLU 77 -6.711 10.125 8.127 646 HA GLU 77 HA GLU 77 -9.005 9.649 9.822 647 HB2 GLU 77 HB2 GLU 77 -8.681 9.764 6.785 648 HB3 GLU 77 HB3 GLU 77 -10.209 9.665 7.599 649 HG2 GLU 77 HG2 GLU 77 -9.881 11.870 8.654 650 HG3 GLU 77 HG3 GLU 77 -8.253 11.985 8.029 651 H LYS 78 HN LYS 78 -10.370 7.832 9.843 652 HA LYS 78 HA LYS 78 -9.393 5.357 8.526 653 HB2 LYS 78 HB2 LYS 78 -10.324 5.661 11.428 654 HB3 LYS 78 HB3 LYS 78 -10.189 4.173 10.562 655 HG2 LYS 78 HG2 LYS 78 -7.663 4.986 10.118 656 HG3 LYS 78 HG3 LYS 78 -7.973 5.920 11.542 657 HD2 LYS 78 HD2 LYS 78 -6.995 3.887 12.312 658 HD3 LYS 78 HD3 LYS 78 -8.684 3.767 12.717 659 HE2 LYS 78 HE2 LYS 78 -9.047 2.332 10.628 660 HE3 LYS 78 HE3 LYS 78 -7.337 2.422 10.307 661 HZ1 LYS 78 HZ1 LYS 78 -6.960 1.346 12.416 662 HZ2 LYS 78 HZ2 LYS 78 -7.946 0.448 11.441 663 HZ3 LYS 78 HZ3 LYS 78 -8.587 1.297 12.700 664 H VAL 79 HN VAL 79 -10.921 4.133 7.567 665 HA VAL 79 HA VAL 79 -13.785 4.731 7.968 666 HB VAL 79 HB VAL 79 -14.127 4.777 5.497 667 HG11 VAL 79 HG11 VAL 79 -13.704 7.116 5.175 668 HG12 VAL 79 HG12 VAL 79 -14.112 6.870 6.862 669 HG13 VAL 79 HG13 VAL 79 -12.434 7.131 6.396 670 HG21 VAL 79 HG21 VAL 79 -12.043 3.763 4.628 671 HG22 VAL 79 HG22 VAL 79 -12.295 5.341 3.937 672 HG23 VAL 79 HG23 VAL 79 -11.106 5.134 5.215 673 H LYS 80 HN LYS 80 -15.130 3.100 7.625 674 HA LYS 80 HA LYS 80 -14.209 0.386 7.547 675 HB2 LYS 80 HB2 LYS 80 -16.952 1.686 7.339 676 HB3 LYS 80 HB3 LYS 80 -16.722 -0.025 7.482 677 HG2 LYS 80 HG2 LYS 80 -16.027 0.027 9.689 678 HG3 LYS 80 HG3 LYS 80 -15.411 1.648 9.629 679 HD2 LYS 80 HD2 LYS 80 -18.388 1.009 9.465 680 HD3 LYS 80 HD3 LYS 80 -17.558 1.307 10.968 681 HE2 LYS 80 HE2 LYS 80 -16.916 3.604 10.192 682 HE3 LYS 80 HE3 LYS 80 -17.708 3.327 8.654 683 HZ1 LYS 80 HZ1 LYS 80 -19.036 3.319 11.257 684 HZ2 LYS 80 HZ2 LYS 80 -19.770 3.046 9.807 685 HZ3 LYS 80 HZ3 LYS 80 -19.098 4.519 10.129 686 H THR 81 HN THR 81 -14.157 -1.062 5.877 687 HA THR 81 HA THR 81 -15.567 -0.741 3.408 688 HB THR 81 HB THR 81 -13.805 0.896 2.877 689 HG1 THR 81 HG1 THR 81 -13.063 -0.015 1.058 690 HG21 THR 81 HG21 THR 81 -11.980 0.156 4.458 691 HG22 THR 81 HG22 THR 81 -11.402 0.342 2.811 692 HG23 THR 81 HG23 THR 81 -11.697 -1.265 3.454 693 H VAL 82 HN VAL 82 -15.480 -2.611 2.119 694 HA VAL 82 HA VAL 82 -14.309 -5.026 3.389 695 HB VAL 82 HB VAL 82 -16.206 -4.718 1.016 696 HG11 VAL 82 HG11 VAL 82 -16.527 -7.218 1.272 697 HG12 VAL 82 HG12 VAL 82 -14.923 -6.796 0.708 698 HG13 VAL 82 HG13 VAL 82 -15.171 -7.242 2.391 699 HG21 VAL 82 HG21 VAL 82 -17.954 -5.628 2.478 700 HG22 VAL 82 HG22 VAL 82 -16.836 -5.702 3.826 701 HG23 VAL 82 HG23 VAL 82 -17.326 -4.144 3.169 702 H VAL 83 HN VAL 83 -12.249 -5.441 2.804 703 HA VAL 83 HA VAL 83 -11.240 -4.810 0.093 704 HB VAL 83 HB VAL 83 -9.879 -6.349 2.360 705 HG11 VAL 83 HG11 VAL 83 -7.754 -5.545 1.070 706 HG12 VAL 83 HG12 VAL 83 -8.664 -6.880 0.397 707 HG13 VAL 83 HG13 VAL 83 -8.821 -5.273 -0.280 708 HG21 VAL 83 HG21 VAL 83 -10.250 -4.202 3.321 709 HG22 VAL 83 HG22 VAL 83 -8.578 -4.207 2.786 710 HG23 VAL 83 HG23 VAL 83 -9.785 -3.358 1.861 711 H GLN 84 HN GLN 84 -10.705 -6.452 -1.402 712 HA GLN 84 HA GLN 84 -11.640 -9.226 -0.807 713 HB2 GLN 84 HB2 GLN 84 -11.808 -7.608 -3.409 714 HB3 GLN 84 HB3 GLN 84 -12.164 -9.301 -3.303 715 HG2 GLN 84 HG2 GLN 84 -13.730 -7.088 -1.884 716 HG3 GLN 84 HG3 GLN 84 -14.210 -7.907 -3.346 717 HE21 GLN 84 HE21 GLN 84 -16.043 -7.892 -1.414 718 HE22 GLN 84 HE22 GLN 84 -16.188 -9.459 -0.662 719 H LEU 85 HN LEU 85 -10.553 -10.884 -1.895 720 HA LEU 85 HA LEU 85 -7.867 -10.235 -3.001 721 HB2 LEU 85 HB2 LEU 85 -7.721 -11.318 -0.761 722 HB3 LEU 85 HB3 LEU 85 -8.659 -12.648 -1.306 723 HG LEU 85 HG LEU 85 -6.442 -12.247 -3.166 724 HD11 LEU 85 HD11 LEU 85 -4.793 -13.107 -1.082 725 HD12 LEU 85 HD12 LEU 85 -5.627 -11.722 -0.413 726 HD13 LEU 85 HD13 LEU 85 -4.736 -11.566 -1.916 727 HD21 LEU 85 HD21 LEU 85 -6.150 -14.537 -3.020 728 HD22 LEU 85 HD22 LEU 85 -7.832 -14.396 -2.546 729 HD23 LEU 85 HD23 LEU 85 -6.594 -14.622 -1.316 730 H GLU 86 HN GLU 86 -7.681 -10.795 -5.011 731 HA GLU 86 HA GLU 86 -9.603 -12.589 -6.374 732 HB2 GLU 86 HB2 GLU 86 -7.648 -10.410 -7.182 733 HB3 GLU 86 HB3 GLU 86 -8.043 -11.624 -8.350 734 HG2 GLU 86 HG2 GLU 86 -9.484 -9.646 -8.620 735 HG3 GLU 86 HG3 GLU 86 -10.427 -11.068 -8.269 736 H GLY 87 HN GLY 87 -8.637 -14.079 -8.003 737 HA2 GLY 87 HA2 GLY 87 -7.039 -15.998 -6.571 738 HA3 GLY 87 HA1 GLY 87 -7.746 -16.162 -8.161 739 H ASP 88 HN ASP 88 -5.911 -13.368 -8.424 740 HA ASP 88 HA ASP 88 -3.545 -14.843 -9.498 741 HB2 ASP 88 HB2 ASP 88 -4.773 -12.310 -10.656 742 HB3 ASP 88 HB3 ASP 88 -3.463 -13.210 -11.329 743 H ASN 89 HN ASN 89 -3.252 -14.258 -6.947 744 HA ASN 89 HA ASN 89 -2.209 -13.204 -5.380 745 HB2 ASN 89 HB2 ASN 89 0.223 -12.628 -5.821 746 HB3 ASN 89 HB3 ASN 89 -0.314 -14.199 -6.292 747 HD21 ASN 89 HD21 ASN 89 -0.051 -10.936 -7.882 748 HD22 ASN 89 HD22 ASN 89 0.658 -11.561 -9.349 749 H LYS 90 HN LYS 90 -4.177 -11.552 -6.140 750 HA LYS 90 HA LYS 90 -3.094 -8.797 -5.943 751 HB2 LYS 90 HB2 LYS 90 -5.112 -9.968 -7.899 752 HB3 LYS 90 HB3 LYS 90 -5.100 -8.261 -7.554 753 HG2 LYS 90 HG2 LYS 90 -2.981 -7.882 -8.480 754 HG3 LYS 90 HG3 LYS 90 -2.488 -9.535 -8.355 755 HD2 LYS 90 HD2 LYS 90 -2.789 -9.290 -10.632 756 HD3 LYS 90 HD3 LYS 90 -4.239 -10.108 -10.132 757 HE2 LYS 90 HE2 LYS 90 -5.527 -7.983 -10.196 758 HE3 LYS 90 HE3 LYS 90 -4.066 -7.096 -10.610 759 HZ1 LYS 90 HZ1 LYS 90 -5.338 -7.618 -12.541 760 HZ2 LYS 90 HZ2 LYS 90 -5.254 -9.236 -12.227 761 HZ3 LYS 90 HZ3 LYS 90 -3.884 -8.395 -12.595 762 H LEU 91 HN LEU 91 -4.240 -7.359 -4.801 763 HA LEU 91 HA LEU 91 -6.737 -8.167 -3.376 764 HB2 LEU 91 HB2 LEU 91 -4.439 -6.321 -2.594 765 HB3 LEU 91 HB3 LEU 91 -5.934 -6.333 -1.721 766 HG LEU 91 HG LEU 91 -4.224 -8.832 -2.004 767 HD11 LEU 91 HD11 LEU 91 -3.527 -6.488 -0.484 768 HD12 LEU 91 HD12 LEU 91 -2.732 -8.053 -0.517 769 HD13 LEU 91 HD13 LEU 91 -3.998 -7.735 0.651 770 HD21 LEU 91 HD21 LEU 91 -6.378 -9.502 -1.333 771 HD22 LEU 91 HD22 LEU 91 -6.646 -8.097 -0.316 772 HD23 LEU 91 HD23 LEU 91 -5.541 -9.364 0.203 773 H VAL 92 HN VAL 92 -8.374 -6.558 -3.334 774 HA VAL 92 HA VAL 92 -7.864 -3.955 -4.620 775 HB VAL 92 HB VAL 92 -10.184 -5.783 -5.423 776 HG11 VAL 92 HG11 VAL 92 -9.619 -2.908 -6.296 777 HG12 VAL 92 HG12 VAL 92 -10.791 -3.969 -7.065 778 HG13 VAL 92 HG13 VAL 92 -11.033 -3.475 -5.408 779 HG21 VAL 92 HG21 VAL 92 -8.192 -6.497 -6.641 780 HG22 VAL 92 HG22 VAL 92 -9.254 -5.653 -7.743 781 HG23 VAL 92 HG23 VAL 92 -7.825 -4.839 -7.108 782 H THR 93 HN THR 93 -9.003 -2.306 -3.676 783 HA THR 93 HA THR 93 -11.398 -2.732 -2.123 784 HB THR 93 HB THR 93 -9.694 -3.268 -0.406 785 HG1 THR 93 HG1 THR 93 -11.492 -2.250 0.358 786 HG21 THR 93 HG21 THR 93 -8.601 -0.430 -0.638 787 HG22 THR 93 HG22 THR 93 -7.758 -1.875 -1.226 788 HG23 THR 93 HG23 THR 93 -8.093 -1.685 0.480 789 H THR 94 HN THR 94 -12.130 -0.493 -1.182 790 HA THR 94 HA THR 94 -11.016 1.809 -2.613 791 HB THR 94 HB THR 94 -14.000 1.113 -2.723 792 HG1 THR 94 HG1 THR 94 -12.700 0.033 -4.233 793 HG21 THR 94 HG21 THR 94 -13.735 3.602 -2.530 794 HG22 THR 94 HG22 THR 94 -14.230 3.158 -4.151 795 HG23 THR 94 HG23 THR 94 -12.553 3.582 -3.835 796 H PHE 95 HN PHE 95 -10.813 3.478 -1.231 797 HA PHE 95 HA PHE 95 -12.581 3.736 1.133 798 HB2 PHE 95 HB2 PHE 95 -10.684 3.955 2.623 799 HB3 PHE 95 HB3 PHE 95 -10.575 2.412 1.842 800 HD1 PHE 95 HD1 PHE 95 -8.715 1.939 0.225 801 HD2 PHE 95 HD2 PHE 95 -9.083 5.793 2.121 802 HE1 PHE 95 HE1 PHE 95 -6.434 2.541 -0.490 803 HE2 PHE 95 HE2 PHE 95 -6.817 6.370 1.356 804 HZ PHE 95 HZ PHE 95 -5.496 4.747 0.052 805 H LYS 96 HN LYS 96 -13.192 5.853 1.390 806 HA LYS 96 HA LYS 96 -13.493 8.021 0.944 807 HB2 LYS 96 HB2 LYS 96 -10.523 7.832 1.575 808 HB3 LYS 96 HB3 LYS 96 -11.266 9.384 1.314 809 HG2 LYS 96 HG2 LYS 96 -12.802 9.179 3.109 810 HG3 LYS 96 HG3 LYS 96 -12.417 7.504 3.355 811 HD2 LYS 96 HD2 LYS 96 -11.380 9.078 5.037 812 HD3 LYS 96 HD3 LYS 96 -10.277 7.978 4.286 813 HE2 LYS 96 HE2 LYS 96 -9.235 10.188 4.432 814 HE3 LYS 96 HE3 LYS 96 -9.487 9.842 2.747 815 HZ1 LYS 96 HZ1 LYS 96 -11.163 11.534 4.462 816 HZ2 LYS 96 HZ2 LYS 96 -11.532 11.173 2.885 817 HZ3 LYS 96 HZ3 LYS 96 -10.169 12.034 3.261 818 H ASN 97 HN ASN 97 -13.736 6.898 -1.451 819 HA ASN 97 HA ASN 97 -13.886 7.343 -3.657 820 HB2 ASN 97 HB2 ASN 97 -12.225 9.872 -3.470 821 HB3 ASN 97 HB3 ASN 97 -13.471 9.490 -4.618 822 HD21 ASN 97 HD21 ASN 97 -12.951 11.844 -2.785 823 HD22 ASN 97 HD22 ASN 97 -14.447 12.063 -1.915 824 H ILE 98 HN ILE 98 -11.012 6.607 -2.164 825 HA ILE 98 HA ILE 98 -9.343 6.653 -4.597 826 HB ILE 98 HB ILE 98 -8.482 5.719 -1.810 827 HG12 ILE 98 HG12 ILE 98 -8.689 8.553 -2.789 828 HG13 ILE 98 HG13 ILE 98 -9.270 7.873 -1.317 829 HG21 ILE 98 HG21 ILE 98 -6.881 6.739 -4.191 830 HG22 ILE 98 HG22 ILE 98 -6.222 6.190 -2.652 831 HG23 ILE 98 HG23 ILE 98 -7.026 5.060 -3.702 832 HD11 ILE 98 HD11 ILE 98 -7.409 9.059 -0.570 833 HD12 ILE 98 HD12 ILE 98 -6.712 7.455 -0.748 834 HD13 ILE 98 HD13 ILE 98 -6.444 8.676 -1.988 835 H LYS 99 HN LYS 99 -9.855 4.914 -5.893 836 HA LYS 99 HA LYS 99 -10.347 2.242 -4.834 837 HB2 LYS 99 HB2 LYS 99 -11.376 2.896 -6.920 838 HB3 LYS 99 HB3 LYS 99 -9.841 3.292 -7.644 839 HG2 LYS 99 HG2 LYS 99 -9.141 0.910 -7.586 840 HG3 LYS 99 HG3 LYS 99 -10.582 0.482 -6.699 841 HD2 LYS 99 HD2 LYS 99 -11.982 1.177 -8.652 842 HD3 LYS 99 HD3 LYS 99 -10.541 1.630 -9.528 843 HE2 LYS 99 HE2 LYS 99 -9.729 -0.741 -9.460 844 HE3 LYS 99 HE3 LYS 99 -11.142 -1.206 -8.529 845 HZ1 LYS 99 HZ1 LYS 99 -12.517 -0.530 -10.360 846 HZ2 LYS 99 HZ2 LYS 99 -11.426 -1.673 -10.831 847 HZ3 LYS 99 HZ3 LYS 99 -11.194 -0.093 -11.242 848 H SER 100 HN SER 100 -8.844 0.774 -4.291 849 HA SER 100 HA SER 100 -5.962 1.349 -4.800 850 HB2 SER 100 HB2 SER 100 -6.744 1.643 -2.456 851 HB3 SER 100 HB3 SER 100 -7.382 0.022 -2.455 852 HG SER 100 HG SER 100 -4.685 0.834 -2.619 853 H VAL 101 HN VAL 101 -4.728 -0.276 -5.584 854 HA VAL 101 HA VAL 101 -5.735 -3.061 -5.645 855 HB VAL 101 HB VAL 101 -4.307 -1.642 -7.954 856 HG11 VAL 101 HG11 VAL 101 -5.143 -4.569 -7.723 857 HG12 VAL 101 HG12 VAL 101 -4.599 -3.799 -9.209 858 HG13 VAL 101 HG13 VAL 101 -3.495 -3.959 -7.862 859 HG21 VAL 101 HG21 VAL 101 -6.354 -2.153 -9.302 860 HG22 VAL 101 HG22 VAL 101 -7.167 -2.686 -7.834 861 HG23 VAL 101 HG23 VAL 101 -6.665 -1.009 -8.013 862 H THR 102 HN THR 102 -4.157 -4.465 -4.949 863 HA THR 102 HA THR 102 -1.325 -3.545 -4.831 864 HB THR 102 HB THR 102 -2.559 -5.355 -2.700 865 HG1 THR 102 HG1 THR 102 -3.513 -3.318 -2.552 866 HG21 THR 102 HG21 THR 102 0.069 -3.808 -2.797 867 HG22 THR 102 HG22 THR 102 -0.114 -5.559 -2.826 868 HG23 THR 102 HG23 THR 102 -0.542 -4.656 -1.387 869 H GLU 103 HN GLU 103 0.193 -5.192 -5.346 870 HA GLU 103 HA GLU 103 -0.830 -7.863 -6.048 871 HB2 GLU 103 HB2 GLU 103 -1.286 -6.456 -7.996 872 HB3 GLU 103 HB3 GLU 103 0.352 -5.892 -8.047 873 HG2 GLU 103 HG2 GLU 103 1.201 -8.114 -8.661 874 HG3 GLU 103 HG3 GLU 103 -0.357 -8.842 -8.405 875 H LEU 104 HN LEU 104 0.612 -9.458 -5.994 876 HA LEU 104 HA LEU 104 3.368 -8.902 -4.983 877 HB2 LEU 104 HB2 LEU 104 1.860 -9.991 -3.361 878 HB3 LEU 104 HB3 LEU 104 1.327 -11.106 -4.561 879 HG LEU 104 HG LEU 104 3.885 -11.925 -4.613 880 HD11 LEU 104 HD11 LEU 104 4.600 -11.774 -2.036 881 HD12 LEU 104 HD12 LEU 104 3.796 -10.225 -2.158 882 HD13 LEU 104 HD13 LEU 104 5.133 -10.604 -3.227 883 HD21 LEU 104 HD21 LEU 104 3.301 -13.536 -2.795 884 HD22 LEU 104 HD22 LEU 104 2.145 -13.426 -4.104 885 HD23 LEU 104 HD23 LEU 104 1.788 -12.646 -2.566 886 H ASN 105 HN ASN 105 4.454 -8.784 -6.983 887 HA ASN 105 HA ASN 105 4.285 -11.114 -8.843 888 HB2 ASN 105 HB2 ASN 105 5.692 -8.412 -9.143 889 HB3 ASN 105 HB3 ASN 105 5.641 -9.676 -10.349 890 HD21 ASN 105 HD21 ASN 105 3.190 -10.470 -10.818 891 HD22 ASN 105 HD22 ASN 105 2.058 -9.154 -11.029 892 H GLY 106 HN GLY 106 5.177 -12.500 -7.161 893 HA2 GLY 106 HA2 GLY 106 6.901 -13.787 -6.389 894 HA3 GLY 106 HA1 GLY 106 8.017 -12.912 -7.425 895 H ASP 107 HN ASP 107 9.474 -11.635 -6.395 896 HA ASP 107 HA ASP 107 9.204 -10.955 -3.545 897 HB2 ASP 107 HB2 ASP 107 11.627 -10.584 -5.353 898 HB3 ASP 107 HB3 ASP 107 11.615 -10.469 -3.636 899 H ILE 108 HN ILE 108 8.176 -9.430 -6.316 900 HA ILE 108 HA ILE 108 8.913 -6.679 -5.404 901 HB ILE 108 HB ILE 108 7.482 -7.438 -7.986 902 HG12 ILE 108 HG12 ILE 108 9.470 -8.721 -8.207 903 HG13 ILE 108 HG13 ILE 108 9.548 -7.355 -9.261 904 HG21 ILE 108 HG21 ILE 108 9.073 -4.948 -7.227 905 HG22 ILE 108 HG22 ILE 108 8.372 -5.268 -8.809 906 HG23 ILE 108 HG23 ILE 108 7.331 -5.062 -7.419 907 HD11 ILE 108 HD11 ILE 108 11.708 -7.294 -8.392 908 HD12 ILE 108 HD12 ILE 108 10.939 -6.290 -7.172 909 HD13 ILE 108 HD13 ILE 108 11.233 -8.001 -6.854 910 H ILE 109 HN ILE 109 7.288 -5.333 -4.662 911 HA ILE 109 HA ILE 109 4.450 -6.268 -4.777 912 HB ILE 109 HB ILE 109 5.832 -4.425 -2.787 913 HG12 ILE 109 HG12 ILE 109 6.310 -6.711 -2.298 914 HG13 ILE 109 HG13 ILE 109 5.273 -6.041 -1.078 915 HG21 ILE 109 HG21 ILE 109 3.614 -3.458 -3.081 916 HG22 ILE 109 HG22 ILE 109 2.843 -5.034 -2.990 917 HG23 ILE 109 HG23 ILE 109 3.616 -4.334 -1.572 918 HD11 ILE 109 HD11 ILE 109 3.335 -7.226 -2.603 919 HD12 ILE 109 HD12 ILE 109 4.715 -8.197 -3.102 920 HD13 ILE 109 HD13 ILE 109 4.259 -8.113 -1.400 921 H THR 110 HN THR 110 3.157 -5.088 -6.023 922 HA THR 110 HA THR 110 3.874 -2.265 -6.711 923 HB THR 110 HB THR 110 2.012 -4.259 -8.099 924 HG1 THR 110 HG1 THR 110 4.145 -4.549 -8.584 925 HG21 THR 110 HG21 THR 110 2.497 -1.307 -8.781 926 HG22 THR 110 HG22 THR 110 0.945 -2.040 -8.378 927 HG23 THR 110 HG23 THR 110 1.747 -2.468 -9.872 928 H ASN 111 HN ASN 111 2.459 -0.702 -6.097 929 HA ASN 111 HA ASN 111 -0.246 -1.438 -5.219 930 HB2 ASN 111 HB2 ASN 111 1.770 0.209 -3.705 931 HB3 ASN 111 HB3 ASN 111 0.255 1.032 -3.929 932 HD21 ASN 111 HD21 ASN 111 -1.813 -0.288 -3.466 933 HD22 ASN 111 HD22 ASN 111 -1.751 -1.258 -2.019 934 H THR 112 HN THR 112 -1.816 -0.061 -6.024 935 HA THR 112 HA THR 112 -1.052 2.370 -7.520 936 HB THR 112 HB THR 112 -3.027 0.243 -8.515 937 HG1 THR 112 HG1 THR 112 -1.568 0.230 -10.309 938 HG21 THR 112 HG21 THR 112 -3.879 2.503 -9.155 939 HG22 THR 112 HG22 THR 112 -3.246 1.679 -10.564 940 HG23 THR 112 HG23 THR 112 -2.293 2.936 -9.787 941 H MET 113 HN MET 113 -2.382 4.037 -7.018 942 HA MET 113 HA MET 113 -4.966 3.531 -5.620 943 HB2 MET 113 HB2 MET 113 -3.041 5.838 -5.121 944 HB3 MET 113 HB3 MET 113 -4.601 5.667 -4.418 945 HG2 MET 113 HG2 MET 113 -2.311 3.713 -3.896 946 HG3 MET 113 HG3 MET 113 -2.725 5.073 -2.883 947 HE1 MET 113 HE1 MET 113 -3.821 2.160 -0.606 948 HE2 MET 113 HE2 MET 113 -2.404 2.247 -1.661 949 HE3 MET 113 HE3 MET 113 -2.904 3.668 -0.726 950 H THR 114 HN THR 114 -6.662 4.797 -6.391 951 HA THR 114 HA THR 114 -6.131 6.749 -8.575 952 HB THR 114 HB THR 114 -8.140 4.447 -8.704 953 HG1 THR 114 HG1 THR 114 -6.022 3.825 -9.113 954 HG21 THR 114 HG21 THR 114 -8.524 5.237 -11.062 955 HG22 THR 114 HG22 THR 114 -7.520 6.650 -10.750 956 HG23 THR 114 HG23 THR 114 -9.053 6.447 -9.908 957 H LEU 115 HN LEU 115 -6.554 8.420 -7.187 958 HA LEU 115 HA LEU 115 -9.219 8.619 -5.888 959 HB2 LEU 115 HB2 LEU 115 -7.307 8.956 -4.393 960 HB3 LEU 115 HB3 LEU 115 -6.543 10.038 -5.492 961 HG LEU 115 HG LEU 115 -8.128 11.792 -5.110 962 HD11 LEU 115 HD11 LEU 115 -10.276 11.451 -4.596 963 HD12 LEU 115 HD12 LEU 115 -9.832 10.999 -2.963 964 HD13 LEU 115 HD13 LEU 115 -10.001 9.769 -4.191 965 HD21 LEU 115 HD21 LEU 115 -6.324 10.901 -3.192 966 HD22 LEU 115 HD22 LEU 115 -7.760 11.237 -2.250 967 HD23 LEU 115 HD23 LEU 115 -7.069 12.484 -3.276 968 H GLY 116 HN GLY 116 -10.619 9.362 -7.412 969 HA2 GLY 116 HA2 GLY 116 -11.699 10.825 -8.769 970 HA3 GLY 116 HA1 GLY 116 -10.718 12.081 -8.038 971 H ASP 117 HN ASP 117 -9.068 12.997 -9.220 972 HA ASP 117 HA ASP 117 -8.834 12.331 -12.076 973 HB2 ASP 117 HB2 ASP 117 -9.409 14.699 -11.041 974 HB3 ASP 117 HB3 ASP 117 -7.719 14.754 -10.599 975 H ILE 118 HN ILE 118 -7.066 11.690 -9.191 976 HA ILE 118 HA ILE 118 -4.384 11.871 -10.463 977 HB ILE 118 HB ILE 118 -5.188 11.303 -7.567 978 HG12 ILE 118 HG12 ILE 118 -5.948 13.508 -7.972 979 HG13 ILE 118 HG13 ILE 118 -4.512 13.609 -7.015 980 HG21 ILE 118 HG21 ILE 118 -2.931 10.446 -7.931 981 HG22 ILE 118 HG22 ILE 118 -2.433 11.939 -8.717 982 HG23 ILE 118 HG23 ILE 118 -2.825 11.919 -7.005 983 HD11 ILE 118 HD11 ILE 118 -3.367 13.949 -9.495 984 HD12 ILE 118 HD12 ILE 118 -4.990 14.531 -9.841 985 HD13 ILE 118 HD13 ILE 118 -4.035 15.282 -8.566 986 H VAL 119 HN VAL 119 -3.175 10.074 -10.904 987 HA VAL 119 HA VAL 119 -4.076 7.392 -9.926 988 HB VAL 119 HB VAL 119 -2.737 8.065 -12.588 989 HG11 VAL 119 HG11 VAL 119 -3.506 5.343 -11.423 990 HG12 VAL 119 HG12 VAL 119 -3.027 5.614 -13.094 991 HG13 VAL 119 HG13 VAL 119 -1.874 5.876 -11.809 992 HG21 VAL 119 HG21 VAL 119 -4.803 7.173 -13.634 993 HG22 VAL 119 HG22 VAL 119 -5.542 7.009 -12.045 994 HG23 VAL 119 HG23 VAL 119 -5.139 8.603 -12.677 995 H PHE 120 HN PHE 120 -2.801 7.387 -8.130 996 HA PHE 120 HA PHE 120 0.094 7.884 -8.276 997 HB2 PHE 120 HB2 PHE 120 -1.011 8.786 -6.426 998 HB3 PHE 120 HB3 PHE 120 -1.899 7.357 -6.063 999 HD1 PHE 120 HD1 PHE 120 -0.999 5.747 -4.464 1000 HD2 PHE 120 HD2 PHE 120 1.574 8.780 -6.107 1001 HE1 PHE 120 HE1 PHE 120 0.688 5.250 -2.759 1002 HE2 PHE 120 HE2 PHE 120 3.277 8.215 -4.418 1003 HZ PHE 120 HZ PHE 120 2.811 6.508 -2.712 1004 H LYS 121 HN LYS 121 1.667 6.299 -7.920 1005 HA LYS 121 HA LYS 121 0.863 3.469 -7.871 1006 HB2 LYS 121 HB2 LYS 121 0.936 4.432 -10.272 1007 HB3 LYS 121 HB3 LYS 121 2.651 4.571 -10.109 1008 HG2 LYS 121 HG2 LYS 121 1.180 1.918 -9.645 1009 HG3 LYS 121 HG3 LYS 121 1.445 2.518 -11.247 1010 HD2 LYS 121 HD2 LYS 121 4.018 2.688 -10.355 1011 HD3 LYS 121 HD3 LYS 121 3.446 1.442 -9.284 1012 HE2 LYS 121 HE2 LYS 121 2.798 -0.023 -11.120 1013 HE3 LYS 121 HE3 LYS 121 3.051 1.249 -12.305 1014 HZ1 LYS 121 HZ1 LYS 121 5.163 0.065 -10.675 1015 HZ2 LYS 121 HZ2 LYS 121 5.347 1.277 -11.780 1016 HZ3 LYS 121 HZ3 LYS 121 4.873 -0.224 -12.274 1017 H ARG 122 HN ARG 122 2.539 2.090 -7.230 1018 HA ARG 122 HA ARG 122 4.928 3.289 -5.950 1019 HB2 ARG 122 HB2 ARG 122 2.389 2.259 -4.716 1020 HB3 ARG 122 HB3 ARG 122 3.816 1.617 -3.981 1021 HG2 ARG 122 HG2 ARG 122 3.497 4.648 -4.349 1022 HG3 ARG 122 HG3 ARG 122 2.752 3.742 -3.067 1023 HD2 ARG 122 HD2 ARG 122 5.654 3.323 -3.442 1024 HD3 ARG 122 HD3 ARG 122 5.193 4.774 -2.597 1025 HE ARG 122 HE ARG 122 5.039 1.899 -1.889 1026 HH11 ARG 122 HH11 ARG 122 3.783 5.086 -0.926 1027 HH12 ARG 122 HH12 ARG 122 3.223 4.529 0.628 1028 HH21 ARG 122 HH21 ARG 122 4.328 1.200 0.150 1029 HH22 ARG 122 HH22 ARG 122 3.573 2.311 1.256 1030 H ILE 123 HN ILE 123 6.617 1.896 -5.843 1031 HA ILE 123 HA ILE 123 6.206 -0.996 -6.391 1032 HB ILE 123 HB ILE 123 8.532 0.658 -7.505 1033 HG12 ILE 123 HG12 ILE 123 7.403 -0.157 -9.780 1034 HG13 ILE 123 HG13 ILE 123 5.941 -0.160 -8.848 1035 HG21 ILE 123 HG21 ILE 123 7.733 -2.253 -7.979 1036 HG22 ILE 123 HG22 ILE 123 9.063 -1.416 -8.774 1037 HG23 ILE 123 HG23 ILE 123 9.130 -1.708 -7.054 1038 HD11 ILE 123 HD11 ILE 123 7.681 2.346 -8.768 1039 HD12 ILE 123 HD12 ILE 123 6.796 2.006 -10.235 1040 HD13 ILE 123 HD13 ILE 123 5.927 2.229 -8.729 1041 H SER 124 HN SER 124 7.165 -2.196 -4.876 1042 HA SER 124 HA SER 124 9.493 -1.199 -3.331 1043 HB2 SER 124 HB2 SER 124 6.951 -2.500 -2.184 1044 HB3 SER 124 HB3 SER 124 8.445 -2.263 -1.291 1045 HG SER 124 HG SER 124 6.911 -0.215 -2.468 1046 H LYS 125 HN LYS 125 10.829 -3.001 -2.518 1047 HA LYS 125 HA LYS 125 10.328 -5.639 -3.774 1048 HB2 LYS 125 HB2 LYS 125 11.623 -4.234 -5.366 1049 HB3 LYS 125 HB3 LYS 125 12.886 -4.001 -4.191 1050 HG2 LYS 125 HG2 LYS 125 12.053 -6.805 -4.988 1051 HG3 LYS 125 HG3 LYS 125 13.011 -5.866 -6.100 1052 HD2 LYS 125 HD2 LYS 125 14.882 -5.771 -4.660 1053 HD3 LYS 125 HD3 LYS 125 13.994 -6.244 -3.249 1054 HE2 LYS 125 HE2 LYS 125 13.598 -8.530 -4.351 1055 HE3 LYS 125 HE3 LYS 125 14.644 -8.019 -5.668 1056 HZ1 LYS 125 HZ1 LYS 125 15.389 -8.188 -2.832 1057 HZ2 LYS 125 HZ2 LYS 125 16.398 -7.726 -4.054 1058 HZ3 LYS 125 HZ3 LYS 125 15.810 -9.267 -4.009 1059 H ARG 126 HN ARG 126 11.179 -7.353 -2.742 1060 HA ARG 126 HA ARG 126 11.168 -7.196 -0.024 1061 HB2 ARG 126 HB2 ARG 126 10.496 -9.136 -1.380 1062 HB3 ARG 126 HB3 ARG 126 12.165 -9.465 -1.766 1063 HG2 ARG 126 HG2 ARG 126 12.643 -9.984 0.664 1064 HG3 ARG 126 HG3 ARG 126 11.021 -9.469 1.030 1065 HD2 ARG 126 HD2 ARG 126 11.342 -11.692 -0.932 1066 HD3 ARG 126 HD3 ARG 126 11.549 -12.090 0.754 1067 HE ARG 126 HE ARG 126 9.133 -10.602 0.419 1068 HH11 ARG 126 HH11 ARG 126 10.434 -13.685 -0.793 1069 HH12 ARG 126 HH12 ARG 126 8.879 -14.471 -0.819 1070 HH21 ARG 126 HH21 ARG 126 7.086 -11.605 0.223 1071 HH22 ARG 126 HH22 ARG 126 6.964 -13.267 -0.277 1072 H ILE 127 HN ILE 127 12.511 -6.975 1.590 1073 HA ILE 127 HA ILE 127 15.479 -7.132 1.254 1074 HB ILE 127 HB ILE 127 15.618 -5.339 2.959 1075 HG12 ILE 127 HG12 ILE 127 12.665 -4.750 2.500 1076 HG13 ILE 127 HG13 ILE 127 13.234 -5.631 3.879 1077 HG21 ILE 127 HG21 ILE 127 14.151 -4.354 0.478 1078 HG22 ILE 127 HG22 ILE 127 15.330 -3.470 1.445 1079 HG23 ILE 127 HG23 ILE 127 15.836 -4.857 0.507 1080 HD11 ILE 127 HD11 ILE 127 12.980 -2.854 3.747 1081 HD12 ILE 127 HD12 ILE 127 13.830 -3.755 4.993 1082 HD13 ILE 127 HD13 ILE 127 14.722 -3.091 3.636 Start of MODEL 10 1 H1 HIS -7 HN HIS -7 7.985 -28.071 -14.282 2 HA HIS -7 HA HIS -7 8.863 -27.996 -11.892 3 HB2 HIS -7 HB2 HIS -7 6.998 -25.763 -13.093 4 HB3 HIS -7 HB3 HIS -7 7.938 -25.465 -11.655 5 HD1 HIS -7 HD1 HIS -7 10.646 -25.725 -11.910 6 HD2 HIS -7 HD2 HIS -7 8.457 -25.071 -15.461 7 HE1 HIS -7 HE1 HIS -7 12.239 -24.890 -13.691 8 H HIS -6 HN HIS -6 5.348 -27.849 -12.345 9 HA HIS -6 HA HIS -6 3.636 -28.140 -11.042 10 HB2 HIS -6 HB2 HIS -6 3.629 -30.307 -9.801 11 HB3 HIS -6 HB3 HIS -6 4.266 -30.399 -11.404 12 HD1 HIS -6 HD1 HIS -6 5.939 -29.798 -7.960 13 HD2 HIS -6 HD2 HIS -6 6.442 -32.105 -11.460 14 HE1 HIS -6 HE1 HIS -6 7.998 -31.231 -7.681 15 H HIS -5 HN HIS -5 5.617 -26.241 -9.765 16 HA HIS -5 HA HIS -5 5.929 -24.990 -8.016 17 HB2 HIS -5 HB2 HIS -5 3.509 -26.260 -6.644 18 HB3 HIS -5 HB3 HIS -5 4.357 -24.841 -6.107 19 HD1 HIS -5 HD1 HIS -5 1.894 -25.999 -8.691 20 HD2 HIS -5 HD2 HIS -5 3.909 -22.428 -7.708 21 HE1 HIS -5 HE1 HIS -5 0.822 -24.094 -9.976 22 H HIS -4 HN HIS -4 6.912 -24.932 -5.918 23 HA HIS -4 HA HIS -4 8.968 -26.706 -5.886 24 HB2 HIS -4 HB2 HIS -4 8.129 -25.005 -3.495 25 HB3 HIS -4 HB3 HIS -4 9.742 -25.545 -3.888 26 HD1 HIS -4 HD1 HIS -4 8.916 -22.553 -3.449 27 HD2 HIS -4 HD2 HIS -4 9.372 -24.353 -7.237 28 HE1 HIS -4 HE1 HIS -4 9.352 -20.732 -5.151 29 H HIS -3 HN HIS -3 6.268 -26.694 -3.512 30 HA HIS -3 HA HIS -3 6.303 -29.454 -2.939 31 HB2 HIS -3 HB2 HIS -3 7.162 -29.292 -0.530 32 HB3 HIS -3 HB3 HIS -3 8.378 -29.268 -1.757 33 HD1 HIS -3 HD1 HIS -3 6.750 -27.019 0.827 34 HD2 HIS -3 HD2 HIS -3 9.988 -26.882 -1.867 35 HE1 HIS -3 HE1 HIS -3 8.123 -24.957 1.336 36 H HIS -2 HN HIS -2 5.769 -26.192 -1.614 37 HA HIS -2 HA HIS -2 2.933 -26.687 -1.140 38 HB2 HIS -2 HB2 HIS -2 4.253 -27.374 0.970 39 HB3 HIS -2 HB3 HIS -2 4.823 -25.732 1.084 40 HD1 HIS -2 HD1 HIS -2 1.367 -27.443 0.804 41 HD2 HIS -2 HD2 HIS -2 3.254 -24.316 2.918 42 HE1 HIS -2 HE1 HIS -2 -0.313 -26.435 2.403 43 H VAL -1 HN VAL -1 2.094 -24.374 -0.168 44 HA VAL -1 HA VAL -1 2.323 -22.608 -2.294 45 HB VAL -1 HB VAL -1 1.086 -20.986 -0.984 46 HG11 VAL -1 HG11 VAL -1 -0.940 -22.292 -0.591 47 HG12 VAL -1 HG12 VAL -1 -0.125 -22.843 -2.045 48 HG13 VAL -1 HG13 VAL -1 -0.015 -23.787 -0.563 49 HG21 VAL -1 HG21 VAL -1 1.978 -21.015 1.269 50 HG22 VAL -1 HG22 VAL -1 0.297 -21.478 1.356 51 HG23 VAL -1 HG23 VAL -1 1.542 -22.709 1.479 52 H ALA 0 HN ALA 0 3.762 -21.231 -2.948 53 HA ALA 0 HA ALA 0 5.739 -19.976 -1.103 54 HB1 ALA 0 HB1 ALA 0 6.297 -21.358 -3.787 55 HB2 ALA 0 HB2 ALA 0 7.482 -20.511 -2.795 56 HB3 ALA 0 HB3 ALA 0 6.741 -21.989 -2.203 57 H MET 1 HN MET 1 3.431 -18.737 -1.728 58 HA MET 1 HA MET 1 4.273 -16.447 -3.316 59 HB2 MET 1 HB2 MET 1 2.367 -16.526 -4.852 60 HB3 MET 1 HB3 MET 1 3.381 -17.900 -5.075 61 HG2 MET 1 HG2 MET 1 1.836 -19.434 -4.249 62 HG3 MET 1 HG3 MET 1 1.031 -18.301 -3.206 63 HE1 MET 1 HE1 MET 1 -0.886 -16.705 -3.815 64 HE2 MET 1 HE2 MET 1 0.175 -15.816 -4.919 65 HE3 MET 1 HE3 MET 1 -1.410 -16.359 -5.470 66 H SER 2 HN SER 2 3.769 -16.920 -0.479 67 HA SER 2 HA SER 2 1.273 -15.534 0.099 68 HB2 SER 2 HB2 SER 2 1.950 -15.693 2.408 69 HB3 SER 2 HB3 SER 2 2.228 -17.245 1.654 70 HG SER 2 HG SER 2 3.975 -16.620 2.939 71 H PHE 3 HN PHE 3 1.059 -13.398 0.742 72 HA PHE 3 HA PHE 3 2.808 -11.431 -0.378 73 HB2 PHE 3 HB2 PHE 3 0.461 -11.329 1.553 74 HB3 PHE 3 HB3 PHE 3 1.319 -9.901 1.082 75 HD1 PHE 3 HD1 PHE 3 0.819 -8.677 -0.852 76 HD2 PHE 3 HD2 PHE 3 -0.675 -12.710 -0.421 77 HE1 PHE 3 HE1 PHE 3 -0.693 -8.348 -2.768 78 HE2 PHE 3 HE2 PHE 3 -2.158 -12.341 -2.347 79 HZ PHE 3 HZ PHE 3 -2.213 -10.149 -3.467 80 H SER 4 HN SER 4 2.975 -13.106 2.661 81 HA SER 4 HA SER 4 3.783 -11.188 4.442 82 HB2 SER 4 HB2 SER 4 4.368 -14.179 4.242 83 HB3 SER 4 HB3 SER 4 4.822 -13.229 5.645 84 HG SER 4 HG SER 4 2.771 -14.156 5.888 85 H GLY 5 HN GLY 5 5.646 -10.211 5.112 86 HA2 GLY 5 HA2 GLY 5 8.201 -10.767 5.209 87 HA3 GLY 5 HA1 GLY 5 8.117 -10.531 3.466 88 H LYS 6 HN LYS 6 9.750 -8.875 4.253 89 HA LYS 6 HA LYS 6 8.532 -6.202 4.802 90 HB2 LYS 6 HB2 LYS 6 11.341 -7.339 5.208 91 HB3 LYS 6 HB3 LYS 6 10.987 -5.642 5.313 92 HG2 LYS 6 HG2 LYS 6 10.125 -5.741 7.365 93 HG3 LYS 6 HG3 LYS 6 9.164 -7.160 7.063 94 HD2 LYS 6 HD2 LYS 6 12.169 -7.191 7.617 95 HD3 LYS 6 HD3 LYS 6 10.953 -7.354 8.854 96 HE2 LYS 6 HE2 LYS 6 10.073 -9.430 7.697 97 HE3 LYS 6 HE3 LYS 6 11.354 -9.293 6.508 98 HZ1 LYS 6 HZ1 LYS 6 11.931 -10.788 8.249 99 HZ2 LYS 6 HZ2 LYS 6 11.741 -9.621 9.396 100 HZ3 LYS 6 HZ3 LYS 6 12.947 -9.490 8.280 101 H TYR 7 HN TYR 7 8.861 -4.600 3.276 102 HA TYR 7 HA TYR 7 10.336 -5.216 0.771 103 HB2 TYR 7 HB2 TYR 7 7.423 -4.261 0.923 104 HB3 TYR 7 HB3 TYR 7 8.344 -4.556 -0.524 105 HD1 TYR 7 HD1 TYR 7 8.809 -6.861 -1.287 106 HD2 TYR 7 HD2 TYR 7 6.432 -6.076 2.227 107 HE1 TYR 7 HE1 TYR 7 8.033 -9.217 -1.287 108 HE2 TYR 7 HE2 TYR 7 5.664 -8.425 2.230 109 HH TYR 7 HH TYR 7 5.683 -10.426 1.098 110 H GLN 8 HN GLN 8 11.834 -3.594 0.739 111 HA GLN 8 HA GLN 8 11.368 -0.943 1.771 112 HB2 GLN 8 HB2 GLN 8 13.603 -2.102 1.630 113 HB3 GLN 8 HB3 GLN 8 13.527 -1.965 -0.101 114 HG2 GLN 8 HG2 GLN 8 13.225 0.694 0.489 115 HG3 GLN 8 HG3 GLN 8 13.916 0.205 1.999 116 HE21 GLN 8 HE21 GLN 8 14.544 1.236 -1.164 117 HE22 GLN 8 HE22 GLN 8 16.245 0.839 -1.237 118 H LEU 9 HN LEU 9 10.836 0.928 0.689 119 HA LEU 9 HA LEU 9 9.538 1.040 -1.827 120 HB2 LEU 9 HB2 LEU 9 9.273 2.708 0.012 121 HB3 LEU 9 HB3 LEU 9 10.948 3.153 -0.133 122 HG LEU 9 HG LEU 9 10.521 4.014 -2.458 123 HD11 LEU 9 HD11 LEU 9 7.789 2.890 -1.958 124 HD12 LEU 9 HD12 LEU 9 8.697 3.061 -3.447 125 HD13 LEU 9 HD13 LEU 9 7.852 4.443 -2.788 126 HD21 LEU 9 HD21 LEU 9 9.813 5.252 0.014 127 HD22 LEU 9 HD22 LEU 9 8.623 5.749 -1.159 128 HD23 LEU 9 HD23 LEU 9 10.329 6.004 -1.485 129 H GLN 10 HN GLN 10 10.337 0.996 -3.844 130 HA GLN 10 HA GLN 10 13.237 1.488 -4.339 131 HB2 GLN 10 HB2 GLN 10 11.081 0.200 -6.095 132 HB3 GLN 10 HB3 GLN 10 12.737 0.438 -6.553 133 HG2 GLN 10 HG2 GLN 10 11.720 -1.393 -4.333 134 HG3 GLN 10 HG3 GLN 10 12.391 -1.881 -5.869 135 HE21 GLN 10 HE21 GLN 10 13.138 -1.755 -2.673 136 HE22 GLN 10 HE22 GLN 10 14.871 -1.562 -2.763 137 H SER 11 HN SER 11 9.947 2.383 -5.521 138 HA SER 11 HA SER 11 10.726 5.090 -6.110 139 HB2 SER 11 HB2 SER 11 10.789 2.985 -8.298 140 HB3 SER 11 HB3 SER 11 9.968 4.470 -8.705 141 HG SER 11 HG SER 11 12.589 4.299 -7.687 142 H GLN 12 HN GLN 12 8.944 6.276 -7.266 143 HA GLN 12 HA GLN 12 6.315 5.166 -7.174 144 HB2 GLN 12 HB2 GLN 12 5.421 6.703 -5.410 145 HB3 GLN 12 HB3 GLN 12 6.508 5.501 -4.796 146 HG2 GLN 12 HG2 GLN 12 8.368 7.330 -4.884 147 HG3 GLN 12 HG3 GLN 12 7.091 8.481 -5.198 148 HE21 GLN 12 HE21 GLN 12 8.743 8.774 -2.994 149 HE22 GLN 12 HE22 GLN 12 7.851 8.448 -1.534 150 H GLU 13 HN GLU 13 4.717 6.502 -8.055 151 HA GLU 13 HA GLU 13 5.705 8.788 -9.695 152 HB2 GLU 13 HB2 GLU 13 5.703 6.674 -10.997 153 HB3 GLU 13 HB3 GLU 13 4.049 6.367 -10.549 154 HG2 GLU 13 HG2 GLU 13 3.353 8.483 -11.779 155 HG3 GLU 13 HG3 GLU 13 5.016 8.721 -12.261 156 H ASN 14 HN ASN 14 4.274 10.414 -10.010 157 HA ASN 14 HA ASN 14 2.745 11.898 -9.533 158 HB2 ASN 14 HB2 ASN 14 0.804 9.527 -9.578 159 HB3 ASN 14 HB3 ASN 14 0.303 11.195 -9.629 160 HD21 ASN 14 HD21 ASN 14 0.171 8.842 -11.632 161 HD22 ASN 14 HD22 ASN 14 0.720 9.577 -13.118 162 H PHE 15 HN PHE 15 4.179 10.769 -7.284 163 HA PHE 15 HA PHE 15 2.629 10.504 -4.955 164 HB2 PHE 15 HB2 PHE 15 4.995 9.854 -5.084 165 HB3 PHE 15 HB3 PHE 15 5.483 11.495 -5.369 166 HD1 PHE 15 HD1 PHE 15 5.358 13.213 -3.497 167 HD2 PHE 15 HD2 PHE 15 4.386 9.065 -2.811 168 HE1 PHE 15 HE1 PHE 15 5.479 13.550 -1.073 169 HE2 PHE 15 HE2 PHE 15 4.583 9.437 -0.394 170 HZ PHE 15 HZ PHE 15 5.147 11.673 0.477 171 H GLU 16 HN GLU 16 4.192 13.446 -6.309 172 HA GLU 16 HA GLU 16 3.383 15.154 -4.236 173 HB2 GLU 16 HB2 GLU 16 4.195 15.828 -7.098 174 HB3 GLU 16 HB3 GLU 16 4.173 16.948 -5.760 175 HG2 GLU 16 HG2 GLU 16 5.928 15.599 -4.579 176 HG3 GLU 16 HG3 GLU 16 5.945 14.436 -5.879 177 H ALA 17 HN ALA 17 1.758 14.346 -7.293 178 HA ALA 17 HA ALA 17 -0.297 16.346 -7.136 179 HB1 ALA 17 HB1 ALA 17 0.335 15.255 -9.269 180 HB2 ALA 17 HB2 ALA 17 -0.154 13.681 -8.648 181 HB3 ALA 17 HB3 ALA 17 -1.358 14.937 -8.917 182 H PHE 18 HN PHE 18 -0.051 12.931 -6.076 183 HA PHE 18 HA PHE 18 -2.781 12.722 -5.186 184 HB2 PHE 18 HB2 PHE 18 -1.576 10.860 -6.108 185 HB3 PHE 18 HB3 PHE 18 -0.305 10.984 -4.931 186 HD1 PHE 18 HD1 PHE 18 -0.644 10.209 -2.592 187 HD2 PHE 18 HD2 PHE 18 -3.712 9.730 -5.579 188 HE1 PHE 18 HE1 PHE 18 -1.776 8.536 -1.177 189 HE2 PHE 18 HE2 PHE 18 -4.789 8.019 -4.151 190 HZ PHE 18 HZ PHE 18 -3.843 7.447 -1.968 191 H MET 19 HN MET 19 0.364 13.275 -3.536 192 HA MET 19 HA MET 19 -0.733 13.159 -0.922 193 HB2 MET 19 HB2 MET 19 1.727 12.803 -1.751 194 HB3 MET 19 HB3 MET 19 1.892 14.509 -1.549 195 HG2 MET 19 HG2 MET 19 2.362 13.995 0.649 196 HG3 MET 19 HG3 MET 19 0.665 13.691 0.861 197 HE1 MET 19 HE1 MET 19 0.994 10.704 -1.206 198 HE2 MET 19 HE2 MET 19 0.766 9.651 0.187 199 HE3 MET 19 HE3 MET 19 -0.277 11.061 -0.019 200 H LYS 20 HN LYS 20 -0.434 15.747 -3.306 201 HA LYS 20 HA LYS 20 -1.223 17.914 -1.549 202 HB2 LYS 20 HB2 LYS 20 0.030 18.287 -3.645 203 HB3 LYS 20 HB3 LYS 20 -1.269 17.595 -4.580 204 HG2 LYS 20 HG2 LYS 20 -2.771 19.517 -3.672 205 HG3 LYS 20 HG3 LYS 20 -1.324 20.208 -3.004 206 HD2 LYS 20 HD2 LYS 20 -1.864 19.629 -5.956 207 HD3 LYS 20 HD3 LYS 20 -2.004 21.186 -5.190 208 HE2 LYS 20 HE2 LYS 20 0.478 21.126 -4.666 209 HE3 LYS 20 HE3 LYS 20 0.602 19.605 -5.539 210 HZ1 LYS 20 HZ1 LYS 20 -0.310 22.152 -6.672 211 HZ2 LYS 20 HZ2 LYS 20 -0.198 20.726 -7.493 212 HZ3 LYS 20 HZ3 LYS 20 1.162 21.450 -6.905 213 H ALA 21 HN ALA 21 -2.903 15.568 -3.708 214 HA ALA 21 HA ALA 21 -5.469 16.752 -3.542 215 HB1 ALA 21 HB1 ALA 21 -4.809 15.270 -5.391 216 HB2 ALA 21 HB2 ALA 21 -4.651 13.903 -4.291 217 HB3 ALA 21 HB3 ALA 21 -6.226 14.619 -4.592 218 H ILE 22 HN ILE 22 -3.839 14.628 -1.249 219 HA ILE 22 HA ILE 22 -6.353 14.175 0.264 220 HB ILE 22 HB ILE 22 -4.971 12.887 1.809 221 HG12 ILE 22 HG12 ILE 22 -2.643 13.247 -0.070 222 HG13 ILE 22 HG13 ILE 22 -2.760 14.138 1.415 223 HG21 ILE 22 HG21 ILE 22 -4.571 11.921 -1.051 224 HG22 ILE 22 HG22 ILE 22 -4.635 10.927 0.400 225 HG23 ILE 22 HG23 ILE 22 -6.068 11.783 -0.136 226 HD11 ILE 22 HD11 ILE 22 -1.355 12.296 1.936 227 HD12 ILE 22 HD12 ILE 22 -2.914 11.898 2.653 228 HD13 ILE 22 HD13 ILE 22 -2.410 11.131 1.144 229 H GLY 23 HN GLY 23 -3.893 16.571 0.056 230 HA2 GLY 23 HA2 GLY 23 -3.974 18.593 1.103 231 HA3 GLY 23 HA1 GLY 23 -5.120 17.999 2.278 232 H LEU 24 HN LEU 24 -2.011 16.251 1.829 233 HA LEU 24 HA LEU 24 -1.120 16.817 4.503 234 HB2 LEU 24 HB2 LEU 24 -0.279 15.163 2.190 235 HB3 LEU 24 HB3 LEU 24 1.090 15.888 2.959 236 HG LEU 24 HG LEU 24 0.393 14.967 5.145 237 HD11 LEU 24 HD11 LEU 24 -1.387 12.848 4.498 238 HD12 LEU 24 HD12 LEU 24 -2.094 14.288 3.791 239 HD13 LEU 24 HD13 LEU 24 -1.690 14.248 5.501 240 HD21 LEU 24 HD21 LEU 24 1.794 13.696 3.162 241 HD22 LEU 24 HD22 LEU 24 0.595 12.475 3.547 242 HD23 LEU 24 HD23 LEU 24 1.632 13.121 4.806 243 HA PRO 25 HA PRO 25 0.895 20.732 3.777 244 HB2 PRO 25 HB2 PRO 25 2.961 20.680 5.625 245 HB3 PRO 25 HB3 PRO 25 1.265 20.853 6.049 246 HG2 PRO 25 HG2 PRO 25 2.896 18.308 6.014 247 HG3 PRO 25 HG3 PRO 25 1.901 18.905 7.340 248 HD2 PRO 25 HD2 PRO 25 0.939 17.058 5.626 249 HD3 PRO 25 HD3 PRO 25 -0.134 18.369 6.137 250 H GLU 26 HN GLU 26 2.379 21.595 2.399 251 HA GLU 26 HA GLU 26 3.540 19.901 0.564 252 HB2 GLU 26 HB2 GLU 26 2.625 22.130 0.134 253 HB3 GLU 26 HB3 GLU 26 3.955 22.879 0.970 254 HG2 GLU 26 HG2 GLU 26 5.553 22.050 -0.773 255 HG3 GLU 26 HG3 GLU 26 4.260 21.175 -1.562 256 H GLU 27 HN GLU 27 5.175 21.208 3.424 257 HA GLU 27 HA GLU 27 7.839 20.570 2.562 258 HB2 GLU 27 HB2 GLU 27 7.575 22.118 4.324 259 HB3 GLU 27 HB3 GLU 27 6.573 21.052 5.273 260 HG2 GLU 27 HG2 GLU 27 8.476 19.549 5.720 261 HG3 GLU 27 HG3 GLU 27 9.514 20.465 4.637 262 H LEU 28 HN LEU 28 5.305 18.671 4.241 263 HA LEU 28 HA LEU 28 6.927 16.310 4.511 264 HB2 LEU 28 HB2 LEU 28 4.993 16.999 6.002 265 HB3 LEU 28 HB3 LEU 28 3.903 16.664 4.686 266 HG LEU 28 HG LEU 28 4.524 14.278 4.741 267 HD11 LEU 28 HD11 LEU 28 5.834 13.870 7.215 268 HD12 LEU 28 HD12 LEU 28 6.747 15.162 6.471 269 HD13 LEU 28 HD13 LEU 28 6.520 13.641 5.618 270 HD21 LEU 28 HD21 LEU 28 2.718 15.419 6.286 271 HD22 LEU 28 HD22 LEU 28 3.796 14.948 7.588 272 HD23 LEU 28 HD23 LEU 28 3.135 13.728 6.508 273 H ILE 29 HN ILE 29 5.135 17.690 1.845 274 HA ILE 29 HA ILE 29 4.975 15.205 0.331 275 HB ILE 29 HB ILE 29 4.776 18.092 -0.633 276 HG12 ILE 29 HG12 ILE 29 2.570 16.083 -0.074 277 HG13 ILE 29 HG13 ILE 29 2.934 17.443 0.925 278 HG21 ILE 29 HG21 ILE 29 3.791 17.123 -2.729 279 HG22 ILE 29 HG22 ILE 29 5.452 16.660 -2.529 280 HG23 ILE 29 HG23 ILE 29 4.179 15.510 -2.134 281 HD11 ILE 29 HD11 ILE 29 1.628 17.420 -1.794 282 HD12 ILE 29 HD12 ILE 29 1.156 18.284 -0.341 283 HD13 ILE 29 HD13 ILE 29 2.506 18.866 -1.306 284 H GLN 30 HN GLN 30 7.051 18.191 0.232 285 HA GLN 30 HA GLN 30 8.750 17.167 -1.785 286 HB2 GLN 30 HB2 GLN 30 9.058 19.516 0.143 287 HB3 GLN 30 HB3 GLN 30 10.176 19.205 -1.152 288 HG2 GLN 30 HG2 GLN 30 7.229 19.946 -1.456 289 HG3 GLN 30 HG3 GLN 30 8.605 20.929 -1.853 290 HE21 GLN 30 HE21 GLN 30 6.209 19.064 -3.189 291 HE22 GLN 30 HE22 GLN 30 6.985 18.591 -4.681 292 H LYS 31 HN LYS 31 8.979 16.785 1.706 293 HA LYS 31 HA LYS 31 11.679 15.561 1.417 294 HB2 LYS 31 HB2 LYS 31 10.055 16.209 3.915 295 HB3 LYS 31 HB3 LYS 31 11.651 15.499 3.873 296 HG2 LYS 31 HG2 LYS 31 12.397 17.593 2.522 297 HG3 LYS 31 HG3 LYS 31 10.885 18.308 2.988 298 HD2 LYS 31 HD2 LYS 31 13.166 17.453 4.807 299 HD3 LYS 31 HD3 LYS 31 12.596 19.068 4.496 300 HE2 LYS 31 HE2 LYS 31 10.351 18.338 5.585 301 HE3 LYS 31 HE3 LYS 31 11.187 16.900 6.126 302 HZ1 LYS 31 HZ1 LYS 31 11.922 19.676 6.739 303 HZ2 LYS 31 HZ2 LYS 31 12.772 18.348 7.243 304 HZ3 LYS 31 HZ3 LYS 31 11.225 18.610 7.762 305 H GLY 32 HN GLY 32 8.256 14.671 1.841 306 HA2 GLY 32 HA2 GLY 32 8.737 11.998 2.831 307 HA3 GLY 32 HA1 GLY 32 7.243 12.625 2.170 308 H LYS 33 HN LYS 33 8.605 13.467 -0.441 309 HA LYS 33 HA LYS 33 8.462 10.971 -1.882 310 HB2 LYS 33 HB2 LYS 33 8.815 12.287 -3.829 311 HB3 LYS 33 HB3 LYS 33 7.742 13.184 -2.798 312 HG2 LYS 33 HG2 LYS 33 9.718 14.586 -2.055 313 HG3 LYS 33 HG3 LYS 33 10.719 13.735 -3.205 314 HD2 LYS 33 HD2 LYS 33 9.118 14.477 -5.050 315 HD3 LYS 33 HD3 LYS 33 8.269 15.419 -3.857 316 HE2 LYS 33 HE2 LYS 33 9.785 16.872 -5.100 317 HE3 LYS 33 HE3 LYS 33 10.314 16.793 -3.431 318 HZ1 LYS 33 HZ1 LYS 33 11.953 15.186 -4.081 319 HZ2 LYS 33 HZ2 LYS 33 12.119 16.588 -4.933 320 HZ3 LYS 33 HZ3 LYS 33 11.450 15.262 -5.652 321 H ASP 34 HN ASP 34 11.035 12.861 -0.402 322 HA ASP 34 HA ASP 34 13.217 11.650 -1.856 323 HB2 ASP 34 HB2 ASP 34 13.229 14.043 -0.937 324 HB3 ASP 34 HB3 ASP 34 13.274 13.391 0.660 325 H ILE 35 HN ILE 35 11.816 11.355 1.451 326 HA ILE 35 HA ILE 35 13.722 9.512 2.442 327 HB ILE 35 HB ILE 35 10.875 10.155 3.289 328 HG12 ILE 35 HG12 ILE 35 12.651 11.952 3.541 329 HG13 ILE 35 HG13 ILE 35 11.713 11.548 4.942 330 HG21 ILE 35 HG21 ILE 35 11.139 7.938 4.219 331 HG22 ILE 35 HG22 ILE 35 12.791 8.269 4.728 332 HG23 ILE 35 HG23 ILE 35 11.447 9.062 5.526 333 HD11 ILE 35 HD11 ILE 35 14.300 11.876 5.193 334 HD12 ILE 35 HD12 ILE 35 13.556 10.533 6.047 335 HD13 ILE 35 HD13 ILE 35 14.443 10.247 4.551 336 H LYS 36 HN LYS 36 14.101 7.520 1.736 337 HA LYS 36 HA LYS 36 12.080 5.808 0.533 338 HB2 LYS 36 HB2 LYS 36 14.992 5.389 1.331 339 HB3 LYS 36 HB3 LYS 36 13.969 4.086 0.789 340 HG2 LYS 36 HG2 LYS 36 13.472 5.273 -1.333 341 HG3 LYS 36 HG3 LYS 36 14.541 6.572 -0.860 342 HD2 LYS 36 HD2 LYS 36 16.475 5.015 -0.832 343 HD3 LYS 36 HD3 LYS 36 15.429 3.655 -1.126 344 HE2 LYS 36 HE2 LYS 36 16.540 4.274 -3.217 345 HE3 LYS 36 HE3 LYS 36 14.822 4.570 -3.377 346 HZ1 LYS 36 HZ1 LYS 36 15.244 6.886 -2.916 347 HZ2 LYS 36 HZ2 LYS 36 16.112 6.373 -4.219 348 HZ3 LYS 36 HZ3 LYS 36 16.859 6.597 -2.767 349 H GLY 37 HN GLY 37 10.763 4.503 1.556 350 HA2 GLY 37 HA2 GLY 37 10.966 4.088 4.522 351 HA3 GLY 37 HA1 GLY 37 9.517 4.133 3.527 352 H VAL 38 HN VAL 38 9.460 2.046 4.956 353 HA VAL 38 HA VAL 38 9.880 -0.186 3.084 354 HB VAL 38 HB VAL 38 10.384 -0.442 6.097 355 HG11 VAL 38 HG11 VAL 38 9.502 -2.562 5.022 356 HG12 VAL 38 HG12 VAL 38 10.873 -2.530 3.924 357 HG13 VAL 38 HG13 VAL 38 11.123 -2.733 5.648 358 HG21 VAL 38 HG21 VAL 38 12.490 -0.459 3.889 359 HG22 VAL 38 HG22 VAL 38 12.343 0.727 5.184 360 HG23 VAL 38 HG23 VAL 38 12.779 -0.927 5.560 361 H SER 39 HN SER 39 8.149 -1.496 2.977 362 HA SER 39 HA SER 39 5.869 -1.063 4.855 363 HB2 SER 39 HB2 SER 39 5.919 -1.835 1.875 364 HB3 SER 39 HB3 SER 39 4.492 -1.936 2.891 365 HG SER 39 HG SER 39 5.981 0.408 2.374 366 H GLU 40 HN GLU 40 5.200 -2.847 5.952 367 HA GLU 40 HA GLU 40 6.335 -5.502 5.180 368 HB2 GLU 40 HB2 GLU 40 5.375 -4.732 7.967 369 HB3 GLU 40 HB3 GLU 40 6.112 -6.208 7.459 370 HG2 GLU 40 HG2 GLU 40 7.912 -5.162 8.485 371 HG3 GLU 40 HG3 GLU 40 8.193 -4.792 6.794 372 H ILE 41 HN ILE 41 4.952 -7.207 5.035 373 HA ILE 41 HA ILE 41 2.035 -6.677 5.327 374 HB ILE 41 HB ILE 41 3.294 -8.428 3.179 375 HG12 ILE 41 HG12 ILE 41 2.183 -5.644 2.706 376 HG13 ILE 41 HG13 ILE 41 3.876 -6.012 2.728 377 HG21 ILE 41 HG21 ILE 41 0.442 -7.509 3.735 378 HG22 ILE 41 HG22 ILE 41 0.885 -8.162 2.190 379 HG23 ILE 41 HG23 ILE 41 1.031 -9.164 3.625 380 HD11 ILE 41 HD11 ILE 41 3.274 -7.809 0.843 381 HD12 ILE 41 HD12 ILE 41 1.906 -6.732 0.584 382 HD13 ILE 41 HD13 ILE 41 3.547 -6.117 0.463 383 H VAL 42 HN VAL 42 0.901 -8.435 6.242 384 HA VAL 42 HA VAL 42 2.394 -10.935 6.826 385 HB VAL 42 HB VAL 42 0.855 -9.486 9.031 386 HG11 VAL 42 HG11 VAL 42 2.760 -11.859 9.172 387 HG12 VAL 42 HG12 VAL 42 1.867 -11.152 10.516 388 HG13 VAL 42 HG13 VAL 42 1.012 -11.980 9.226 389 HG21 VAL 42 HG21 VAL 42 2.818 -8.077 8.672 390 HG22 VAL 42 HG22 VAL 42 3.021 -9.002 10.144 391 HG23 VAL 42 HG23 VAL 42 3.877 -9.488 8.684 392 H GLN 43 HN GLN 43 1.138 -12.062 5.416 393 HA GLN 43 HA GLN 43 -1.775 -11.994 5.472 394 HB2 GLN 43 HB2 GLN 43 -0.520 -12.374 3.409 395 HB3 GLN 43 HB3 GLN 43 0.248 -13.792 4.065 396 HG2 GLN 43 HG2 GLN 43 -1.939 -14.986 4.162 397 HG3 GLN 43 HG3 GLN 43 -2.781 -13.525 3.697 398 HE21 GLN 43 HE21 GLN 43 -3.687 -14.854 1.944 399 HE22 GLN 43 HE22 GLN 43 -2.756 -15.116 0.494 400 H ASN 44 HN ASN 44 -2.993 -13.076 6.867 401 HA ASN 44 HA ASN 44 -1.980 -15.449 8.352 402 HB2 ASN 44 HB2 ASN 44 -3.444 -12.968 9.424 403 HB3 ASN 44 HB3 ASN 44 -3.261 -14.449 10.338 404 HD21 ASN 44 HD21 ASN 44 -2.185 -11.540 10.605 405 HD22 ASN 44 HD22 ASN 44 -0.510 -11.811 11.004 406 H GLY 45 HN GLY 45 -3.142 -16.297 6.333 407 HA2 GLY 45 HA2 GLY 45 -4.904 -17.554 5.554 408 HA3 GLY 45 HA1 GLY 45 -5.833 -17.186 7.001 409 H LYS 46 HN LYS 46 -7.650 -15.991 6.552 410 HA LYS 46 HA LYS 46 -7.981 -14.357 4.169 411 HB2 LYS 46 HB2 LYS 46 -9.671 -14.648 6.698 412 HB3 LYS 46 HB3 LYS 46 -10.156 -13.766 5.277 413 HG2 LYS 46 HG2 LYS 46 -9.695 -16.777 5.418 414 HG3 LYS 46 HG3 LYS 46 -11.219 -15.956 5.407 415 HD2 LYS 46 HD2 LYS 46 -11.209 -16.395 3.180 416 HD3 LYS 46 HD3 LYS 46 -10.306 -14.922 3.098 417 HE2 LYS 46 HE2 LYS 46 -9.181 -16.556 1.716 418 HE3 LYS 46 HE3 LYS 46 -8.134 -16.271 3.086 419 HZ1 LYS 46 HZ1 LYS 46 -8.355 -18.574 2.610 420 HZ2 LYS 46 HZ2 LYS 46 -9.994 -18.518 2.785 421 HZ3 LYS 46 HZ3 LYS 46 -9.017 -18.261 4.089 422 H HIS 47 HN HIS 47 -6.951 -13.767 7.522 423 HA HIS 47 HA HIS 47 -7.287 -10.917 7.414 424 HB2 HIS 47 HB2 HIS 47 -7.343 -12.224 9.509 425 HB3 HIS 47 HB3 HIS 47 -5.663 -12.637 9.325 426 HD1 HIS 47 HD1 HIS 47 -7.896 -9.557 9.756 427 HD2 HIS 47 HD2 HIS 47 -3.876 -10.674 10.385 428 HE1 HIS 47 HE1 HIS 47 -6.731 -7.693 11.006 429 H PHE 48 HN PHE 48 -5.733 -9.323 7.299 430 HA PHE 48 HA PHE 48 -2.983 -9.911 6.405 431 HB2 PHE 48 HB2 PHE 48 -5.050 -8.156 5.024 432 HB3 PHE 48 HB3 PHE 48 -3.353 -7.838 4.838 433 HD1 PHE 48 HD1 PHE 48 -6.055 -10.222 3.990 434 HD2 PHE 48 HD2 PHE 48 -1.866 -9.289 3.548 435 HE1 PHE 48 HE1 PHE 48 -5.869 -11.851 2.148 436 HE2 PHE 48 HE2 PHE 48 -1.727 -10.908 1.698 437 HZ PHE 48 HZ PHE 48 -3.701 -12.175 1.000 438 H LYS 49 HN LYS 49 -1.538 -8.536 7.315 439 HA LYS 49 HA LYS 49 -2.514 -5.899 8.263 440 HB2 LYS 49 HB2 LYS 49 -0.253 -7.618 9.326 441 HB3 LYS 49 HB3 LYS 49 -0.004 -5.903 9.232 442 HG2 LYS 49 HG2 LYS 49 -2.188 -5.523 10.429 443 HG3 LYS 49 HG3 LYS 49 -2.205 -7.227 10.822 444 HD2 LYS 49 HD2 LYS 49 -0.048 -5.186 11.567 445 HD3 LYS 49 HD3 LYS 49 -1.303 -5.755 12.627 446 HE2 LYS 49 HE2 LYS 49 -0.360 -8.094 12.482 447 HE3 LYS 49 HE3 LYS 49 0.940 -7.490 11.465 448 HZ1 LYS 49 HZ1 LYS 49 0.359 -6.604 14.198 449 HZ2 LYS 49 HZ2 LYS 49 1.568 -6.019 13.248 450 HZ3 LYS 49 HZ3 LYS 49 1.595 -7.594 13.740 451 H PHE 50 HN PHE 50 -1.505 -4.121 7.521 452 HA PHE 50 HA PHE 50 0.667 -4.295 5.526 453 HB2 PHE 50 HB2 PHE 50 -2.103 -3.182 5.079 454 HB3 PHE 50 HB3 PHE 50 -0.776 -2.248 4.462 455 HD1 PHE 50 HD1 PHE 50 0.500 -2.899 2.534 456 HD2 PHE 50 HD2 PHE 50 -2.363 -5.630 4.252 457 HE1 PHE 50 HE1 PHE 50 0.671 -4.353 0.559 458 HE2 PHE 50 HE2 PHE 50 -2.156 -7.067 2.269 459 HZ PHE 50 HZ PHE 50 -0.663 -6.424 0.417 460 H THR 51 HN THR 51 2.113 -3.633 7.054 461 HA THR 51 HA THR 51 1.757 -1.067 8.454 462 HB THR 51 HB THR 51 4.212 -2.875 8.263 463 HG1 THR 51 HG1 THR 51 3.550 -3.487 10.388 464 HG21 THR 51 HG21 THR 51 4.896 -1.731 10.411 465 HG22 THR 51 HG22 THR 51 3.549 -0.621 10.230 466 HG23 THR 51 HG23 THR 51 4.865 -0.619 9.059 467 H ILE 52 HN ILE 52 2.854 0.838 7.803 468 HA ILE 52 HA ILE 52 4.714 0.741 5.493 469 HB ILE 52 HB ILE 52 2.365 2.679 5.649 470 HG12 ILE 52 HG12 ILE 52 2.721 0.498 3.573 471 HG13 ILE 52 HG13 ILE 52 1.620 0.393 4.914 472 HG21 ILE 52 HG21 ILE 52 4.520 2.444 3.505 473 HG22 ILE 52 HG22 ILE 52 3.141 3.533 3.450 474 HG23 ILE 52 HG23 ILE 52 4.372 3.761 4.661 475 HD11 ILE 52 HD11 ILE 52 0.586 2.643 4.038 476 HD12 ILE 52 HD12 ILE 52 1.385 2.209 2.524 477 HD13 ILE 52 HD13 ILE 52 0.198 1.127 3.236 478 H THR 53 HN THR 53 6.529 1.610 6.314 479 HA THR 53 HA THR 53 6.354 3.866 8.273 480 HB THR 53 HB THR 53 8.588 1.832 7.759 481 HG1 THR 53 HG1 THR 53 6.931 0.941 8.889 482 HG21 THR 53 HG21 THR 53 9.656 3.940 8.488 483 HG22 THR 53 HG22 THR 53 9.632 2.826 9.841 484 HG23 THR 53 HG23 THR 53 8.466 4.145 9.768 485 H ALA 54 HN ALA 54 6.860 5.817 7.398 486 HA ALA 54 HA ALA 54 9.176 6.250 5.788 487 HB1 ALA 54 HB1 ALA 54 8.031 7.112 3.729 488 HB2 ALA 54 HB2 ALA 54 7.680 5.406 3.922 489 HB3 ALA 54 HB3 ALA 54 6.469 6.597 4.358 490 H GLY 55 HN GLY 55 9.811 8.358 6.056 491 HA2 GLY 55 HA2 GLY 55 9.729 10.609 6.440 492 HA3 GLY 55 HA1 GLY 55 7.983 10.571 6.354 493 H SER 56 HN SER 56 9.771 8.521 8.663 494 HA SER 56 HA SER 56 9.829 8.324 10.853 495 HB2 SER 56 HB2 SER 56 9.941 11.385 10.780 496 HB3 SER 56 HB3 SER 56 10.062 10.478 12.269 497 HG SER 56 HG SER 56 11.764 10.254 10.048 498 H LYS 57 HN LYS 57 7.403 7.848 9.729 499 HA LYS 57 HA LYS 57 5.823 7.831 12.144 500 HB2 LYS 57 HB2 LYS 57 3.758 8.689 11.174 501 HB3 LYS 57 HB3 LYS 57 4.994 9.896 11.097 502 HG2 LYS 57 HG2 LYS 57 4.116 10.180 9.002 503 HG3 LYS 57 HG3 LYS 57 5.355 9.047 8.623 504 HD2 LYS 57 HD2 LYS 57 3.600 8.040 7.498 505 HD3 LYS 57 HD3 LYS 57 3.418 7.221 9.013 506 HE2 LYS 57 HE2 LYS 57 1.221 7.882 8.544 507 HE3 LYS 57 HE3 LYS 57 1.734 9.081 9.706 508 HZ1 LYS 57 HZ1 LYS 57 0.627 10.024 7.806 509 HZ2 LYS 57 HZ2 LYS 57 1.733 9.371 6.775 510 HZ3 LYS 57 HZ3 LYS 57 2.192 10.542 7.843 511 H VAL 58 HN VAL 58 4.333 6.088 12.158 512 HA VAL 58 HA VAL 58 4.765 4.033 10.026 513 HB VAL 58 HB VAL 58 4.407 3.583 13.026 514 HG11 VAL 58 HG11 VAL 58 4.865 1.578 10.769 515 HG12 VAL 58 HG12 VAL 58 4.954 1.187 12.482 516 HG13 VAL 58 HG13 VAL 58 3.432 1.695 11.784 517 HG21 VAL 58 HG21 VAL 58 6.667 4.436 12.671 518 HG22 VAL 58 HG22 VAL 58 6.746 2.719 13.007 519 HG23 VAL 58 HG23 VAL 58 6.934 3.299 11.358 520 H ILE 59 HN ILE 59 2.935 3.827 8.934 521 HA ILE 59 HA ILE 59 0.248 4.029 10.147 522 HB ILE 59 HB ILE 59 1.193 3.115 7.383 523 HG12 ILE 59 HG12 ILE 59 -0.241 5.381 6.859 524 HG13 ILE 59 HG13 ILE 59 0.371 5.804 8.418 525 HG21 ILE 59 HG21 ILE 59 -1.669 3.569 8.313 526 HG22 ILE 59 HG22 ILE 59 -1.178 3.313 6.645 527 HG23 ILE 59 HG23 ILE 59 -0.964 2.035 7.804 528 HD11 ILE 59 HD11 ILE 59 2.736 5.438 7.531 529 HD12 ILE 59 HD12 ILE 59 2.054 4.944 5.983 530 HD13 ILE 59 HD13 ILE 59 1.848 6.588 6.547 531 H GLN 60 HN GLN 60 -0.929 2.211 10.702 532 HA GLN 60 HA GLN 60 -0.079 -0.412 9.673 533 HB2 GLN 60 HB2 GLN 60 -0.820 0.120 12.583 534 HB3 GLN 60 HB3 GLN 60 -1.025 -1.438 11.829 535 HG2 GLN 60 HG2 GLN 60 1.440 -1.440 11.223 536 HG3 GLN 60 HG3 GLN 60 1.640 0.020 12.162 537 HE21 GLN 60 HE21 GLN 60 1.639 -0.128 14.462 538 HE22 GLN 60 HE22 GLN 60 1.600 -1.654 15.304 539 H ASN 61 HN ASN 61 -1.672 -1.531 8.847 540 HA ASN 61 HA ASN 61 -4.467 -0.670 9.246 541 HB2 ASN 61 HB2 ASN 61 -2.912 -1.130 6.625 542 HB3 ASN 61 HB3 ASN 61 -4.633 -1.340 6.685 543 HD21 ASN 61 HD21 ASN 61 -2.667 0.843 5.503 544 HD22 ASN 61 HD22 ASN 61 -3.533 2.309 5.892 545 H GLU 62 HN GLU 62 -5.857 -2.322 9.464 546 HA GLU 62 HA GLU 62 -4.967 -5.114 8.958 547 HB2 GLU 62 HB2 GLU 62 -6.340 -3.900 11.377 548 HB3 GLU 62 HB3 GLU 62 -6.772 -5.510 10.897 549 HG2 GLU 62 HG2 GLU 62 -4.312 -6.131 10.950 550 HG3 GLU 62 HG3 GLU 62 -3.948 -4.530 11.572 551 H PHE 63 HN PHE 63 -6.327 -6.363 7.880 552 HA PHE 63 HA PHE 63 -9.107 -5.828 7.761 553 HB2 PHE 63 HB2 PHE 63 -9.359 -5.624 5.327 554 HB3 PHE 63 HB3 PHE 63 -8.472 -4.274 5.944 555 HD1 PHE 63 HD1 PHE 63 -8.228 -7.445 3.982 556 HD2 PHE 63 HD2 PHE 63 -6.100 -3.938 5.331 557 HE1 PHE 63 HE1 PHE 63 -6.438 -7.877 2.349 558 HE2 PHE 63 HE2 PHE 63 -4.350 -4.385 3.664 559 HZ PHE 63 HZ PHE 63 -4.523 -6.341 2.171 560 H THR 64 HN THR 64 -10.306 -7.504 6.563 561 HA THR 64 HA THR 64 -8.833 -10.050 6.225 562 HB THR 64 HB THR 64 -11.461 -9.636 7.760 563 HG1 THR 64 HG1 THR 64 -10.266 -10.519 9.466 564 HG21 THR 64 HG21 THR 64 -11.348 -12.087 8.255 565 HG22 THR 64 HG22 THR 64 -9.970 -12.244 7.184 566 HG23 THR 64 HG23 THR 64 -11.553 -11.821 6.531 567 H VAL 65 HN VAL 65 -9.211 -10.829 4.233 568 HA VAL 65 HA VAL 65 -10.882 -9.303 2.521 569 HB VAL 65 HB VAL 65 -10.179 -10.747 0.716 570 HG11 VAL 65 HG11 VAL 65 -8.739 -8.906 1.408 571 HG12 VAL 65 HG12 VAL 65 -7.881 -9.947 2.534 572 HG13 VAL 65 HG13 VAL 65 -7.764 -10.237 0.807 573 HG21 VAL 65 HG21 VAL 65 -8.865 -12.576 2.758 574 HG22 VAL 65 HG22 VAL 65 -10.104 -13.000 1.582 575 HG23 VAL 65 HG23 VAL 65 -8.495 -12.577 1.042 576 H GLY 66 HN GLY 66 -12.861 -9.568 1.779 577 HA2 GLY 66 HA2 GLY 66 -14.898 -10.611 1.297 578 HA3 GLY 66 HA1 GLY 66 -14.455 -12.040 2.204 579 H GLU 67 HN GLU 67 -13.603 -9.309 4.112 580 HA GLU 67 HA GLU 67 -16.264 -9.090 5.441 581 HB2 GLU 67 HB2 GLU 67 -13.551 -9.360 6.826 582 HB3 GLU 67 HB3 GLU 67 -15.084 -9.113 7.604 583 HG2 GLU 67 HG2 GLU 67 -15.876 -11.356 6.766 584 HG3 GLU 67 HG3 GLU 67 -14.326 -11.610 5.995 585 H GLU 68 HN GLU 68 -16.612 -7.095 6.552 586 HA GLU 68 HA GLU 68 -15.262 -4.819 5.322 587 HB2 GLU 68 HB2 GLU 68 -17.734 -4.938 5.537 588 HB3 GLU 68 HB3 GLU 68 -17.591 -4.916 7.269 589 HG2 GLU 68 HG2 GLU 68 -16.555 -2.649 7.206 590 HG3 GLU 68 HG3 GLU 68 -16.522 -2.687 5.459 591 H CYS 69 HN CYS 69 -13.611 -3.749 6.165 592 HA CYS 69 HA CYS 69 -13.025 -3.822 9.073 593 HB2 CYS 69 HB2 CYS 69 -11.127 -4.638 6.814 594 HB3 CYS 69 HB3 CYS 69 -10.593 -4.245 8.441 595 HG CYS 69 HG CYS 69 -11.924 -6.016 9.712 596 H GLU 70 HN GLU 70 -11.340 -2.281 9.679 597 HA GLU 70 HA GLU 70 -12.175 0.287 8.495 598 HB2 GLU 70 HB2 GLU 70 -12.814 -0.589 10.795 599 HB3 GLU 70 HB3 GLU 70 -11.151 -0.438 11.268 600 HG2 GLU 70 HG2 GLU 70 -11.307 2.063 10.722 601 HG3 GLU 70 HG3 GLU 70 -13.000 1.833 10.371 602 H LEU 71 HN LEU 71 -10.658 0.927 7.007 603 HA LEU 71 HA LEU 71 -7.773 0.665 7.537 604 HB2 LEU 71 HB2 LEU 71 -9.410 1.641 5.138 605 HB3 LEU 71 HB3 LEU 71 -7.670 1.652 5.168 606 HG LEU 71 HG LEU 71 -9.403 -0.825 5.385 607 HD11 LEU 71 HD11 LEU 71 -9.186 -1.165 3.172 608 HD12 LEU 71 HD12 LEU 71 -7.562 -0.505 3.054 609 HD13 LEU 71 HD13 LEU 71 -8.941 0.576 3.081 610 HD21 LEU 71 HD21 LEU 71 -6.804 -1.707 4.790 611 HD22 LEU 71 HD22 LEU 71 -7.592 -1.803 6.354 612 HD23 LEU 71 HD23 LEU 71 -6.540 -0.446 5.974 613 H GLU 72 HN GLU 72 -6.387 2.273 7.872 614 HA GLU 72 HA GLU 72 -7.274 4.978 8.485 615 HB2 GLU 72 HB2 GLU 72 -5.516 3.529 9.784 616 HB3 GLU 72 HB3 GLU 72 -4.452 3.805 8.440 617 HG2 GLU 72 HG2 GLU 72 -4.888 6.384 8.913 618 HG3 GLU 72 HG3 GLU 72 -5.547 5.849 10.422 619 H THR 73 HN THR 73 -6.420 6.827 7.397 620 HA THR 73 HA THR 73 -5.083 6.444 4.748 621 HB THR 73 HB THR 73 -6.100 8.480 4.008 622 HG1 THR 73 HG1 THR 73 -6.166 9.687 5.882 623 HG21 THR 73 HG21 THR 73 -8.370 7.838 3.722 624 HG22 THR 73 HG22 THR 73 -8.448 7.035 5.295 625 HG23 THR 73 HG23 THR 73 -7.511 6.329 3.989 626 H MET 74 HN MET 74 -3.564 8.195 4.208 627 HA MET 74 HA MET 74 -1.550 8.369 6.076 628 HB2 MET 74 HB2 MET 74 -2.016 10.071 3.592 629 HB3 MET 74 HB3 MET 74 -0.490 9.963 4.413 630 HG2 MET 74 HG2 MET 74 -1.918 7.599 3.101 631 HG3 MET 74 HG3 MET 74 -0.626 8.524 2.385 632 HE1 MET 74 HE1 MET 74 0.884 4.962 3.210 633 HE2 MET 74 HE2 MET 74 -0.840 5.248 2.938 634 HE3 MET 74 HE3 MET 74 0.358 6.065 1.923 635 H THR 75 HN THR 75 -4.189 10.644 5.829 636 HA THR 75 HA THR 75 -2.926 12.812 7.288 637 HB THR 75 HB THR 75 -5.215 13.746 7.323 638 HG1 THR 75 HG1 THR 75 -6.470 12.006 7.610 639 HG21 THR 75 HG21 THR 75 -5.712 13.901 4.888 640 HG22 THR 75 HG22 THR 75 -4.526 12.646 4.553 641 HG23 THR 75 HG23 THR 75 -4.024 14.190 5.246 642 H GLY 76 HN GLY 76 -4.572 9.814 8.198 643 HA2 GLY 76 HA2 GLY 76 -4.418 9.008 10.419 644 HA3 GLY 76 HA1 GLY 76 -4.592 10.613 11.084 645 H GLU 77 HN GLU 77 -6.820 10.128 8.459 646 HA GLU 77 HA GLU 77 -9.132 9.850 10.228 647 HB2 GLU 77 HB2 GLU 77 -8.612 11.020 7.703 648 HB3 GLU 77 HB3 GLU 77 -9.477 9.589 7.270 649 HG2 GLU 77 HG2 GLU 77 -10.489 11.715 9.218 650 HG3 GLU 77 HG3 GLU 77 -10.934 11.607 7.541 651 H LYS 78 HN LYS 78 -10.729 8.051 9.902 652 HA LYS 78 HA LYS 78 -9.645 5.585 8.666 653 HB2 LYS 78 HB2 LYS 78 -10.943 5.716 11.438 654 HB3 LYS 78 HB3 LYS 78 -10.629 4.269 10.532 655 HG2 LYS 78 HG2 LYS 78 -8.098 5.063 10.542 656 HG3 LYS 78 HG3 LYS 78 -8.616 6.116 11.824 657 HD2 LYS 78 HD2 LYS 78 -7.906 4.217 13.010 658 HD3 LYS 78 HD3 LYS 78 -9.629 3.978 12.935 659 HE2 LYS 78 HE2 LYS 78 -9.131 2.567 10.749 660 HE3 LYS 78 HE3 LYS 78 -7.474 2.577 11.283 661 HZ1 LYS 78 HZ1 LYS 78 -8.683 0.665 12.035 662 HZ2 LYS 78 HZ2 LYS 78 -9.780 1.612 12.830 663 HZ3 LYS 78 HZ3 LYS 78 -8.208 1.566 13.339 664 H VAL 79 HN VAL 79 -11.141 4.274 7.672 665 HA VAL 79 HA VAL 79 -14.014 4.769 8.001 666 HB VAL 79 HB VAL 79 -14.402 4.798 5.552 667 HG11 VAL 79 HG11 VAL 79 -12.762 7.223 6.342 668 HG12 VAL 79 HG12 VAL 79 -14.057 7.126 5.151 669 HG13 VAL 79 HG13 VAL 79 -14.421 6.922 6.853 670 HG21 VAL 79 HG21 VAL 79 -11.401 5.192 5.191 671 HG22 VAL 79 HG22 VAL 79 -12.355 3.824 4.618 672 HG23 VAL 79 HG23 VAL 79 -12.621 5.415 3.941 673 H LYS 80 HN LYS 80 -15.329 3.084 7.353 674 HA LYS 80 HA LYS 80 -14.173 0.426 7.325 675 HB2 LYS 80 HB2 LYS 80 -17.029 1.493 7.182 676 HB3 LYS 80 HB3 LYS 80 -16.633 -0.202 7.205 677 HG2 LYS 80 HG2 LYS 80 -15.519 0.016 9.403 678 HG3 LYS 80 HG3 LYS 80 -15.837 1.730 9.425 679 HD2 LYS 80 HD2 LYS 80 -18.309 1.265 9.345 680 HD3 LYS 80 HD3 LYS 80 -17.973 -0.449 9.370 681 HE2 LYS 80 HE2 LYS 80 -16.877 -0.232 11.607 682 HE3 LYS 80 HE3 LYS 80 -17.155 1.502 11.587 683 HZ1 LYS 80 HZ1 LYS 80 -19.501 1.079 11.502 684 HZ2 LYS 80 HZ2 LYS 80 -18.821 0.362 12.822 685 HZ3 LYS 80 HZ3 LYS 80 -19.248 -0.551 11.516 686 H THR 81 HN THR 81 -14.257 -1.088 5.684 687 HA THR 81 HA THR 81 -15.531 -0.741 3.163 688 HB THR 81 HB THR 81 -13.745 0.838 2.633 689 HG1 THR 81 HG1 THR 81 -14.172 -0.574 0.983 690 HG21 THR 81 HG21 THR 81 -12.009 0.192 4.356 691 HG22 THR 81 HG22 THR 81 -11.349 0.320 2.736 692 HG23 THR 81 HG23 THR 81 -11.654 -1.266 3.431 693 H VAL 82 HN VAL 82 -15.584 -2.676 2.013 694 HA VAL 82 HA VAL 82 -14.394 -5.072 3.248 695 HB VAL 82 HB VAL 82 -16.188 -4.718 0.810 696 HG11 VAL 82 HG11 VAL 82 -15.190 -7.306 2.100 697 HG12 VAL 82 HG12 VAL 82 -16.512 -7.226 0.946 698 HG13 VAL 82 HG13 VAL 82 -14.897 -6.781 0.445 699 HG21 VAL 82 HG21 VAL 82 -16.888 -5.843 3.551 700 HG22 VAL 82 HG22 VAL 82 -17.369 -4.250 2.968 701 HG23 VAL 82 HG23 VAL 82 -17.977 -5.695 2.181 702 H VAL 83 HN VAL 83 -12.523 -5.920 2.595 703 HA VAL 83 HA VAL 83 -11.250 -5.012 0.052 704 HB VAL 83 HB VAL 83 -9.990 -6.589 2.351 705 HG11 VAL 83 HG11 VAL 83 -8.631 -6.869 0.385 706 HG12 VAL 83 HG12 VAL 83 -8.801 -5.190 -0.078 707 HG13 VAL 83 HG13 VAL 83 -7.842 -5.608 1.310 708 HG21 VAL 83 HG21 VAL 83 -10.541 -4.567 3.446 709 HG22 VAL 83 HG22 VAL 83 -8.886 -4.303 2.924 710 HG23 VAL 83 HG23 VAL 83 -10.220 -3.588 2.037 711 H GLN 84 HN GLN 84 -10.471 -6.636 -1.400 712 HA GLN 84 HA GLN 84 -11.379 -9.439 -0.959 713 HB2 GLN 84 HB2 GLN 84 -11.691 -7.721 -3.483 714 HB3 GLN 84 HB3 GLN 84 -11.937 -9.438 -3.460 715 HG2 GLN 84 HG2 GLN 84 -13.618 -7.401 -1.921 716 HG3 GLN 84 HG3 GLN 84 -14.070 -8.197 -3.404 717 HE21 GLN 84 HE21 GLN 84 -15.802 -8.337 -1.316 718 HE22 GLN 84 HE22 GLN 84 -15.841 -9.958 -0.672 719 H LEU 85 HN LEU 85 -10.237 -11.014 -2.113 720 HA LEU 85 HA LEU 85 -7.643 -10.217 -3.313 721 HB2 LEU 85 HB2 LEU 85 -7.300 -11.232 -1.098 722 HB3 LEU 85 HB3 LEU 85 -8.202 -12.636 -1.514 723 HG LEU 85 HG LEU 85 -5.920 -11.950 -3.349 724 HD11 LEU 85 HD11 LEU 85 -4.425 -11.621 -1.701 725 HD12 LEU 85 HD12 LEU 85 -4.487 -13.353 -1.445 726 HD13 LEU 85 HD13 LEU 85 -5.461 -12.290 -0.450 727 HD21 LEU 85 HD21 LEU 85 -5.916 -14.181 -3.860 728 HD22 LEU 85 HD22 LEU 85 -7.524 -14.186 -3.157 729 HD23 LEU 85 HD23 LEU 85 -6.151 -14.702 -2.203 730 H GLU 86 HN GLU 86 -7.354 -10.994 -5.311 731 HA GLU 86 HA GLU 86 -9.363 -12.868 -6.481 732 HB2 GLU 86 HB2 GLU 86 -7.578 -10.845 -7.915 733 HB3 GLU 86 HB3 GLU 86 -8.925 -11.708 -8.584 734 HG2 GLU 86 HG2 GLU 86 -9.133 -9.479 -6.490 735 HG3 GLU 86 HG3 GLU 86 -9.398 -9.310 -8.196 736 H GLY 87 HN GLY 87 -8.500 -14.063 -8.389 737 HA2 GLY 87 HA2 GLY 87 -6.660 -15.968 -7.405 738 HA3 GLY 87 HA1 GLY 87 -7.413 -15.942 -8.983 739 H ASP 88 HN ASP 88 -5.680 -13.035 -8.786 740 HA ASP 88 HA ASP 88 -3.233 -14.210 -10.025 741 HB2 ASP 88 HB2 ASP 88 -4.523 -11.587 -10.859 742 HB3 ASP 88 HB3 ASP 88 -3.128 -12.314 -11.562 743 H ASN 89 HN ASN 89 -3.426 -13.778 -7.248 744 HA ASN 89 HA ASN 89 -2.440 -12.906 -5.531 745 HB2 ASN 89 HB2 ASN 89 0.165 -12.012 -6.273 746 HB3 ASN 89 HB3 ASN 89 -0.332 -13.496 -5.587 747 HD21 ASN 89 HD21 ASN 89 1.059 -11.986 -8.319 748 HD22 ASN 89 HD22 ASN 89 1.180 -13.409 -9.323 749 H LYS 90 HN LYS 90 -4.265 -11.154 -6.456 750 HA LYS 90 HA LYS 90 -3.077 -8.461 -5.990 751 HB2 LYS 90 HB2 LYS 90 -5.111 -9.434 -8.034 752 HB3 LYS 90 HB3 LYS 90 -4.980 -7.745 -7.618 753 HG2 LYS 90 HG2 LYS 90 -2.787 -7.514 -8.445 754 HG3 LYS 90 HG3 LYS 90 -2.470 -9.213 -8.448 755 HD2 LYS 90 HD2 LYS 90 -2.726 -8.726 -10.713 756 HD3 LYS 90 HD3 LYS 90 -4.240 -9.457 -10.279 757 HE2 LYS 90 HE2 LYS 90 -5.345 -7.237 -10.128 758 HE3 LYS 90 HE3 LYS 90 -3.814 -6.439 -10.465 759 HZ1 LYS 90 HZ1 LYS 90 -5.183 -8.295 -12.276 760 HZ2 LYS 90 HZ2 LYS 90 -3.748 -7.539 -12.572 761 HZ3 LYS 90 HZ3 LYS 90 -5.131 -6.652 -12.422 762 H LEU 91 HN LEU 91 -4.020 -7.174 -4.583 763 HA LEU 91 HA LEU 91 -6.590 -7.946 -3.296 764 HB2 LEU 91 HB2 LEU 91 -4.334 -6.130 -2.355 765 HB3 LEU 91 HB3 LEU 91 -5.805 -6.347 -1.479 766 HG LEU 91 HG LEU 91 -3.958 -8.686 -2.080 767 HD11 LEU 91 HD11 LEU 91 -3.466 -6.495 -0.206 768 HD12 LEU 91 HD12 LEU 91 -2.447 -7.861 -0.627 769 HD13 LEU 91 HD13 LEU 91 -3.640 -8.019 0.646 770 HD21 LEU 91 HD21 LEU 91 -5.158 -9.702 -0.117 771 HD22 LEU 91 HD22 LEU 91 -6.217 -9.347 -1.473 772 HD23 LEU 91 HD23 LEU 91 -6.220 -8.295 -0.065 773 H VAL 92 HN VAL 92 -8.198 -6.310 -3.090 774 HA VAL 92 HA VAL 92 -7.701 -3.651 -4.281 775 HB VAL 92 HB VAL 92 -10.056 -5.431 -5.090 776 HG11 VAL 92 HG11 VAL 92 -10.654 -3.561 -6.666 777 HG12 VAL 92 HG12 VAL 92 -10.852 -3.110 -4.989 778 HG13 VAL 92 HG13 VAL 92 -9.444 -2.546 -5.888 779 HG21 VAL 92 HG21 VAL 92 -8.109 -6.156 -6.370 780 HG22 VAL 92 HG22 VAL 92 -9.169 -5.253 -7.425 781 HG23 VAL 92 HG23 VAL 92 -7.711 -4.491 -6.794 782 H THR 93 HN THR 93 -8.700 -2.058 -3.170 783 HA THR 93 HA THR 93 -11.019 -2.536 -1.451 784 HB THR 93 HB THR 93 -9.143 -3.021 0.084 785 HG1 THR 93 HG1 THR 93 -9.575 -1.303 1.583 786 HG21 THR 93 HG21 THR 93 -7.318 -1.602 -1.025 787 HG22 THR 93 HG22 THR 93 -7.429 -1.435 0.719 788 HG23 THR 93 HG23 THR 93 -8.096 -0.185 -0.314 789 H THR 94 HN THR 94 -11.937 -0.420 -0.641 790 HA THR 94 HA THR 94 -11.124 1.931 -2.264 791 HB THR 94 HB THR 94 -14.016 0.943 -2.133 792 HG1 THR 94 HG1 THR 94 -12.726 -0.365 -3.441 793 HG21 THR 94 HG21 THR 94 -13.839 3.433 -2.441 794 HG22 THR 94 HG22 THR 94 -14.394 2.660 -3.915 795 HG23 THR 94 HG23 THR 94 -12.720 3.189 -3.777 796 H PHE 95 HN PHE 95 -10.655 3.427 -0.778 797 HA PHE 95 HA PHE 95 -12.521 3.926 1.489 798 HB2 PHE 95 HB2 PHE 95 -10.580 4.225 2.961 799 HB3 PHE 95 HB3 PHE 95 -10.664 2.597 2.375 800 HD1 PHE 95 HD1 PHE 95 -8.887 1.713 0.866 801 HD2 PHE 95 HD2 PHE 95 -8.807 5.811 2.193 802 HE1 PHE 95 HE1 PHE 95 -6.549 1.932 0.126 803 HE2 PHE 95 HE2 PHE 95 -6.480 6.006 1.411 804 HZ PHE 95 HZ PHE 95 -5.355 4.072 0.377 805 H LYS 96 HN LYS 96 -13.029 6.031 1.743 806 HA LYS 96 HA LYS 96 -13.345 8.187 1.179 807 HB2 LYS 96 HB2 LYS 96 -10.380 8.166 1.967 808 HB3 LYS 96 HB3 LYS 96 -11.353 9.600 1.798 809 HG2 LYS 96 HG2 LYS 96 -12.966 8.290 3.517 810 HG3 LYS 96 HG3 LYS 96 -11.437 7.590 3.986 811 HD2 LYS 96 HD2 LYS 96 -12.128 10.565 3.865 812 HD3 LYS 96 HD3 LYS 96 -11.954 9.612 5.307 813 HE2 LYS 96 HE2 LYS 96 -9.558 9.353 4.979 814 HE3 LYS 96 HE3 LYS 96 -9.614 10.063 3.375 815 HZ1 LYS 96 HZ1 LYS 96 -8.870 11.614 4.974 816 HZ2 LYS 96 HZ2 LYS 96 -10.255 11.461 5.855 817 HZ3 LYS 96 HZ3 LYS 96 -10.310 12.116 4.341 818 H ASN 97 HN ASN 97 -13.603 7.468 -1.188 819 HA ASN 97 HA ASN 97 -13.503 7.828 -3.340 820 HB2 ASN 97 HB3 ASN 97 -13.022 9.925 -4.250 821 HB3 ASN 97 HB2 ASN 97 -13.628 10.236 -2.656 822 HD21 ASN 97 HD21 ASN 97 -12.736 12.312 -2.412 823 HD22 ASN 97 HD22 ASN 97 -11.021 12.629 -2.421 824 H ILE 98 HN ILE 98 -10.670 6.914 -1.824 825 HA ILE 98 HA ILE 98 -9.057 6.778 -4.277 826 HB ILE 98 HB ILE 98 -8.400 5.960 -1.418 827 HG12 ILE 98 HG12 ILE 98 -7.150 8.312 -2.827 828 HG13 ILE 98 HG13 ILE 98 -8.692 8.529 -2.067 829 HG21 ILE 98 HG21 ILE 98 -6.019 5.880 -2.204 830 HG22 ILE 98 HG22 ILE 98 -6.998 4.631 -2.930 831 HG23 ILE 98 HG23 ILE 98 -6.596 6.071 -3.859 832 HD11 ILE 98 HD11 ILE 98 -7.808 7.802 0.127 833 HD12 ILE 98 HD12 ILE 98 -6.210 7.555 -0.584 834 HD13 ILE 98 HD13 ILE 98 -6.907 9.169 -0.516 835 H LYS 99 HN LYS 99 -9.525 5.141 -5.582 836 HA LYS 99 HA LYS 99 -10.291 2.441 -4.713 837 HB2 LYS 99 HB2 LYS 99 -11.266 3.457 -6.749 838 HB3 LYS 99 HB3 LYS 99 -9.690 3.781 -7.384 839 HG2 LYS 99 HG2 LYS 99 -10.467 1.935 -8.593 840 HG3 LYS 99 HG3 LYS 99 -9.264 1.265 -7.536 841 HD2 LYS 99 HD2 LYS 99 -11.030 0.414 -6.012 842 HD3 LYS 99 HD3 LYS 99 -12.269 1.211 -6.949 843 HE2 LYS 99 HE2 LYS 99 -11.560 -0.221 -8.960 844 HE3 LYS 99 HE3 LYS 99 -10.474 -1.093 -7.890 845 HZ1 LYS 99 HZ1 LYS 99 -12.390 -1.692 -6.571 846 HZ2 LYS 99 HZ2 LYS 99 -12.574 -2.182 -8.136 847 HZ3 LYS 99 HZ3 LYS 99 -13.389 -0.859 -7.583 848 H SER 100 HN SER 100 -8.619 1.473 -3.613 849 HA SER 100 HA SER 100 -5.827 1.786 -4.551 850 HB2 SER 100 HB2 SER 100 -6.281 2.368 -2.229 851 HB3 SER 100 HB3 SER 100 -7.035 0.816 -1.941 852 HG SER 100 HG SER 100 -5.044 -0.174 -2.247 853 H VAL 101 HN VAL 101 -4.606 0.138 -5.189 854 HA VAL 101 HA VAL 101 -5.661 -2.641 -5.335 855 HB VAL 101 HB VAL 101 -4.151 -1.070 -7.493 856 HG11 VAL 101 HG11 VAL 101 -5.141 -3.954 -7.560 857 HG12 VAL 101 HG12 VAL 101 -4.557 -3.067 -8.965 858 HG13 VAL 101 HG13 VAL 101 -3.465 -3.416 -7.645 859 HG21 VAL 101 HG21 VAL 101 -7.064 -1.952 -7.507 860 HG22 VAL 101 HG22 VAL 101 -6.464 -0.294 -7.512 861 HG23 VAL 101 HG23 VAL 101 -6.197 -1.320 -8.905 862 H THR 102 HN THR 102 -4.075 -4.174 -4.888 863 HA THR 102 HA THR 102 -1.224 -3.335 -4.757 864 HB THR 102 HB THR 102 -2.450 -5.345 -2.808 865 HG1 THR 102 HG1 THR 102 -3.244 -3.282 -2.361 866 HG21 THR 102 HG21 THR 102 -0.341 -4.946 -1.513 867 HG22 THR 102 HG22 THR 102 0.286 -3.997 -2.854 868 HG23 THR 102 HG23 THR 102 -0.044 -5.715 -3.051 869 H GLU 103 HN GLU 103 0.226 -4.981 -5.413 870 HA GLU 103 HA GLU 103 -0.877 -7.563 -6.316 871 HB2 GLU 103 HB2 GLU 103 -1.090 -6.053 -8.247 872 HB3 GLU 103 HB3 GLU 103 0.569 -5.576 -8.113 873 HG2 GLU 103 HG2 GLU 103 1.355 -7.866 -8.671 874 HG3 GLU 103 HG3 GLU 103 -0.284 -8.463 -8.684 875 H LEU 104 HN LEU 104 0.301 -9.037 -5.384 876 HA LEU 104 HA LEU 104 3.184 -8.780 -4.869 877 HB2 LEU 104 HB2 LEU 104 1.910 -10.053 -3.259 878 HB3 LEU 104 HB3 LEU 104 1.070 -10.926 -4.497 879 HG LEU 104 HG LEU 104 3.266 -12.079 -5.116 880 HD11 LEU 104 HD11 LEU 104 4.236 -10.504 -2.716 881 HD12 LEU 104 HD12 LEU 104 5.032 -10.763 -4.268 882 HD13 LEU 104 HD13 LEU 104 4.950 -12.057 -3.089 883 HD21 LEU 104 HD21 LEU 104 2.059 -13.598 -4.012 884 HD22 LEU 104 HD22 LEU 104 1.601 -12.510 -2.711 885 HD23 LEU 104 HD23 LEU 104 3.157 -13.315 -2.674 886 H ASN 105 HN ASN 105 4.738 -9.490 -6.253 887 HA ASN 105 HA ASN 105 4.118 -11.181 -8.594 888 HB2 ASN 105 HB2 ASN 105 3.764 -8.523 -9.010 889 HB3 ASN 105 HB3 ASN 105 5.490 -8.493 -9.115 890 HD21 ASN 105 HD21 ASN 105 2.436 -9.454 -10.580 891 HD22 ASN 105 HD22 ASN 105 3.079 -10.086 -12.068 892 H GLY 106 HN GLY 106 5.211 -12.552 -7.101 893 HA2 GLY 106 HA2 GLY 106 7.058 -13.835 -6.682 894 HA3 GLY 106 HA1 GLY 106 8.054 -12.781 -7.672 895 H ASP 107 HN ASP 107 9.219 -11.155 -6.695 896 HA ASP 107 HA ASP 107 9.105 -10.799 -3.740 897 HB2 ASP 107 HB2 ASP 107 11.468 -10.311 -5.599 898 HB3 ASP 107 HB3 ASP 107 11.508 -10.197 -3.885 899 H ILE 108 HN ILE 108 8.182 -9.235 -6.604 900 HA ILE 108 HA ILE 108 8.841 -6.500 -5.630 901 HB ILE 108 HB ILE 108 7.519 -7.305 -8.261 902 HG12 ILE 108 HG12 ILE 108 9.559 -8.496 -8.380 903 HG13 ILE 108 HG13 ILE 108 9.683 -7.111 -9.406 904 HG21 ILE 108 HG21 ILE 108 8.982 -4.742 -7.474 905 HG22 ILE 108 HG22 ILE 108 8.341 -5.107 -9.070 906 HG23 ILE 108 HG23 ILE 108 7.251 -4.918 -7.714 907 HD11 ILE 108 HD11 ILE 108 11.194 -7.755 -6.884 908 HD12 ILE 108 HD12 ILE 108 11.767 -6.994 -8.362 909 HD13 ILE 108 HD13 ILE 108 10.874 -6.049 -7.178 910 H ILE 109 HN ILE 109 7.238 -5.235 -4.759 911 HA ILE 109 HA ILE 109 4.389 -6.143 -4.946 912 HB ILE 109 HB ILE 109 5.708 -4.462 -2.777 913 HG12 ILE 109 HG12 ILE 109 6.474 -6.696 -2.525 914 HG13 ILE 109 HG13 ILE 109 5.386 -6.286 -1.237 915 HG21 ILE 109 HG21 ILE 109 2.814 -5.425 -2.993 916 HG22 ILE 109 HG22 ILE 109 3.531 -4.710 -1.553 917 HG23 ILE 109 HG23 ILE 109 3.370 -3.760 -3.009 918 HD11 ILE 109 HD11 ILE 109 3.586 -7.564 -2.839 919 HD12 ILE 109 HD12 ILE 109 5.067 -8.306 -3.442 920 HD13 ILE 109 HD13 ILE 109 4.644 -8.429 -1.737 921 H THR 110 HN THR 110 3.316 -4.894 -6.368 922 HA THR 110 HA THR 110 4.001 -2.000 -6.664 923 HB THR 110 HB THR 110 2.176 -3.836 -8.299 924 HG1 THR 110 HG1 THR 110 4.367 -4.139 -8.637 925 HG21 THR 110 HG21 THR 110 2.833 -0.871 -8.758 926 HG22 THR 110 HG22 THR 110 1.231 -1.530 -8.437 927 HG23 THR 110 HG23 THR 110 2.051 -1.921 -9.933 928 H ASN 111 HN ASN 111 2.588 -0.474 -5.945 929 HA ASN 111 HA ASN 111 -0.115 -1.265 -5.033 930 HB2 ASN 111 HB2 ASN 111 1.898 0.613 -3.675 931 HB3 ASN 111 HB3 ASN 111 0.186 0.836 -3.456 932 HD21 ASN 111 HD21 ASN 111 -1.114 -0.672 -2.329 933 HD22 ASN 111 HD22 ASN 111 -0.398 -1.879 -1.299 934 H THR 112 HN THR 112 -1.705 0.061 -5.943 935 HA THR 112 HA THR 112 -0.920 2.568 -7.331 936 HB THR 112 HB THR 112 -2.762 0.420 -8.502 937 HG1 THR 112 HG1 THR 112 -1.124 0.374 -10.129 938 HG21 THR 112 HG21 THR 112 -3.505 2.697 -9.237 939 HG22 THR 112 HG22 THR 112 -2.771 1.826 -10.568 940 HG23 THR 112 HG23 THR 112 -1.859 3.078 -9.735 941 H MET 113 HN MET 113 -2.398 4.219 -7.040 942 HA MET 113 HA MET 113 -4.958 3.645 -5.624 943 HB2 MET 113 HB2 MET 113 -2.780 5.565 -4.727 944 HB3 MET 113 HB3 MET 113 -4.393 5.585 -4.108 945 HG2 MET 113 HG2 MET 113 -4.105 3.230 -3.279 946 HG3 MET 113 HG3 MET 113 -2.439 3.260 -3.811 947 HE1 MET 113 HE1 MET 113 -1.939 2.423 -1.309 948 HE2 MET 113 HE2 MET 113 -2.288 3.388 0.133 949 HE3 MET 113 HE3 MET 113 -3.612 2.656 -0.777 950 H THR 114 HN THR 114 -6.313 4.219 -7.219 951 HA THR 114 HA THR 114 -5.949 6.692 -8.750 952 HB THR 114 HB THR 114 -8.123 4.554 -8.772 953 HG1 THR 114 HG1 THR 114 -6.156 5.178 -10.681 954 HG21 THR 114 HG21 THR 114 -8.847 5.605 -10.952 955 HG22 THR 114 HG22 THR 114 -7.801 6.983 -10.623 956 HG23 THR 114 HG23 THR 114 -9.183 6.652 -9.588 957 H LEU 115 HN LEU 115 -6.447 8.543 -7.794 958 HA LEU 115 HA LEU 115 -8.709 8.815 -5.860 959 HB2 LEU 115 HB2 LEU 115 -6.309 9.168 -5.108 960 HB3 LEU 115 HB3 LEU 115 -6.159 10.510 -6.182 961 HG LEU 115 HG LEU 115 -8.056 10.229 -3.823 962 HD11 LEU 115 HD11 LEU 115 -5.298 11.278 -4.032 963 HD12 LEU 115 HD12 LEU 115 -6.195 10.699 -2.637 964 HD13 LEU 115 HD13 LEU 115 -6.388 12.351 -3.185 965 HD21 LEU 115 HD21 LEU 115 -9.251 11.752 -5.222 966 HD22 LEU 115 HD22 LEU 115 -7.779 12.591 -5.720 967 HD23 LEU 115 HD23 LEU 115 -8.405 12.780 -4.091 968 H GLY 116 HN GLY 116 -10.287 9.118 -7.519 969 HA2 GLY 116 HA2 GLY 116 -11.599 10.376 -8.903 970 HA3 GLY 116 HA1 GLY 116 -10.631 11.782 -8.496 971 H ASP 117 HN ASP 117 -9.101 12.512 -9.973 972 HA ASP 117 HA ASP 117 -8.789 11.069 -12.551 973 HB2 ASP 117 HB2 ASP 117 -9.751 13.634 -12.187 974 HB3 ASP 117 HB3 ASP 117 -8.054 13.984 -12.218 975 H ILE 118 HN ILE 118 -7.071 11.586 -9.677 976 HA ILE 118 HA ILE 118 -4.387 11.695 -10.955 977 HB ILE 118 HB ILE 118 -5.162 11.471 -8.003 978 HG12 ILE 118 HG12 ILE 118 -6.092 13.550 -8.680 979 HG13 ILE 118 HG13 ILE 118 -4.683 13.860 -7.727 980 HG21 ILE 118 HG21 ILE 118 -2.860 10.747 -8.268 981 HG22 ILE 118 HG22 ILE 118 -2.474 12.135 -9.279 982 HG23 ILE 118 HG23 ILE 118 -2.845 12.351 -7.578 983 HD11 ILE 118 HD11 ILE 118 -5.080 14.281 -10.711 984 HD12 ILE 118 HD12 ILE 118 -4.464 15.407 -9.508 985 HD13 ILE 118 HD13 ILE 118 -3.441 14.103 -10.090 986 H VAL 119 HN VAL 119 -2.975 9.867 -10.878 987 HA VAL 119 HA VAL 119 -3.983 7.376 -9.580 988 HB VAL 119 HB VAL 119 -2.727 7.499 -12.357 989 HG11 VAL 119 HG11 VAL 119 -3.654 5.090 -10.713 990 HG12 VAL 119 HG12 VAL 119 -3.196 5.027 -12.412 991 HG13 VAL 119 HG13 VAL 119 -1.999 5.428 -11.205 992 HG21 VAL 119 HG21 VAL 119 -5.070 8.188 -12.533 993 HG22 VAL 119 HG22 VAL 119 -4.897 6.565 -13.168 994 HG23 VAL 119 HG23 VAL 119 -5.588 6.812 -11.567 995 H PHE 120 HN PHE 120 -2.681 7.639 -7.842 996 HA PHE 120 HA PHE 120 0.192 7.977 -8.029 997 HB2 PHE 120 HB2 PHE 120 -0.927 8.761 -6.131 998 HB3 PHE 120 HB3 PHE 120 -1.743 7.264 -5.796 999 HD1 PHE 120 HD1 PHE 120 -0.833 5.984 -3.962 1000 HD2 PHE 120 HD2 PHE 120 1.750 8.631 -6.176 1001 HE1 PHE 120 HE1 PHE 120 1.007 5.501 -2.420 1002 HE2 PHE 120 HE2 PHE 120 3.590 8.078 -4.645 1003 HZ PHE 120 HZ PHE 120 3.214 6.559 -2.749 1004 H LYS 121 HN LYS 121 1.780 6.411 -7.580 1005 HA LYS 121 HA LYS 121 1.026 3.612 -7.390 1006 HB2 LYS 121 HB2 LYS 121 1.101 4.156 -9.884 1007 HB3 LYS 121 HB3 LYS 121 2.743 4.670 -9.676 1008 HG2 LYS 121 HG2 LYS 121 2.656 1.993 -8.630 1009 HG3 LYS 121 HG3 LYS 121 1.617 1.963 -10.009 1010 HD2 LYS 121 HD2 LYS 121 4.483 3.005 -10.025 1011 HD3 LYS 121 HD3 LYS 121 4.033 1.386 -10.479 1012 HE2 LYS 121 HE2 LYS 121 2.722 2.235 -12.408 1013 HE3 LYS 121 HE3 LYS 121 2.989 3.894 -11.910 1014 HZ1 LYS 121 HZ1 LYS 121 5.322 3.586 -12.230 1015 HZ2 LYS 121 HZ2 LYS 121 4.478 3.306 -13.604 1016 HZ3 LYS 121 HZ3 LYS 121 5.091 2.030 -12.745 1017 H ARG 122 HN ARG 122 2.590 2.401 -6.362 1018 HA ARG 122 HA ARG 122 5.312 3.540 -6.036 1019 HB2 ARG 122 HB2 ARG 122 4.045 1.699 -3.959 1020 HB3 ARG 122 HB3 ARG 122 5.619 2.437 -3.962 1021 HG2 ARG 122 HG2 ARG 122 4.338 4.686 -3.905 1022 HG3 ARG 122 HG3 ARG 122 2.952 3.772 -3.355 1023 HD2 ARG 122 HD2 ARG 122 5.120 2.801 -1.709 1024 HD3 ARG 122 HD3 ARG 122 5.590 4.419 -2.115 1025 HE ARG 122 HE ARG 122 4.038 5.440 -0.922 1026 HH11 ARG 122 HH11 ARG 122 3.356 1.940 -0.980 1027 HH12 ARG 122 HH12 ARG 122 2.245 2.000 0.358 1028 HH21 ARG 122 HH21 ARG 122 2.563 5.489 0.846 1029 HH22 ARG 122 HH22 ARG 122 1.753 4.033 1.359 1030 H ILE 123 HN ILE 123 6.943 2.023 -6.002 1031 HA ILE 123 HA ILE 123 6.324 -0.814 -6.635 1032 HB ILE 123 HB ILE 123 8.786 0.739 -7.620 1033 HG12 ILE 123 HG12 ILE 123 7.683 0.054 -9.957 1034 HG13 ILE 123 HG13 ILE 123 6.195 0.123 -9.068 1035 HG21 ILE 123 HG21 ILE 123 7.852 -2.108 -8.214 1036 HG22 ILE 123 HG22 ILE 123 9.259 -1.322 -8.922 1037 HG23 ILE 123 HG23 ILE 123 9.231 -1.670 -7.211 1038 HD11 ILE 123 HD11 ILE 123 8.180 2.470 -9.032 1039 HD12 ILE 123 HD12 ILE 123 7.029 2.262 -10.343 1040 HD13 ILE 123 HD13 ILE 123 6.451 2.524 -8.708 1041 H SER 124 HN SER 124 7.074 -2.033 -5.016 1042 HA SER 124 HA SER 124 9.403 -1.185 -3.371 1043 HB2 SER 124 HB2 SER 124 6.723 -2.405 -2.478 1044 HB3 SER 124 HB3 SER 124 8.166 -2.433 -1.480 1045 HG SER 124 HG SER 124 6.846 -0.658 -1.028 1046 H LYS 125 HN LYS 125 10.558 -3.072 -2.439 1047 HA LYS 125 HA LYS 125 10.192 -5.626 -3.860 1048 HB2 LYS 125 HB2 LYS 125 11.501 -4.233 -5.391 1049 HB3 LYS 125 HB3 LYS 125 12.665 -3.859 -4.158 1050 HG2 LYS 125 HG2 LYS 125 12.189 -6.768 -4.850 1051 HG3 LYS 125 HG3 LYS 125 13.000 -5.790 -6.031 1052 HD2 LYS 125 HD2 LYS 125 13.998 -5.995 -3.163 1053 HD3 LYS 125 HD3 LYS 125 14.479 -7.107 -4.412 1054 HE2 LYS 125 HE2 LYS 125 15.373 -5.133 -5.752 1055 HE3 LYS 125 HE3 LYS 125 14.954 -4.070 -4.422 1056 HZ1 LYS 125 HZ1 LYS 125 16.412 -5.346 -3.021 1057 HZ2 LYS 125 HZ2 LYS 125 17.218 -4.741 -4.327 1058 HZ3 LYS 125 HZ3 LYS 125 16.808 -6.338 -4.277 1059 H ARG 126 HN ARG 126 10.938 -7.359 -2.811 1060 HA ARG 126 HA ARG 126 10.890 -7.279 -0.080 1061 HB2 ARG 126 HB2 ARG 126 10.250 -9.189 -1.560 1062 HB3 ARG 126 HB3 ARG 126 11.935 -9.501 -1.861 1063 HG2 ARG 126 HG2 ARG 126 12.286 -10.064 0.581 1064 HG3 ARG 126 HG3 ARG 126 10.622 -9.633 0.859 1065 HD2 ARG 126 HD2 ARG 126 11.142 -11.710 -1.193 1066 HD3 ARG 126 HD3 ARG 126 11.374 -12.235 0.449 1067 HE ARG 126 HE ARG 126 8.862 -11.044 0.423 1068 HH11 ARG 126 HH11 ARG 126 10.266 -13.429 -1.846 1069 HH12 ARG 126 HH12 ARG 126 8.801 -14.363 -1.922 1070 HH21 ARG 126 HH21 ARG 126 6.926 -12.158 0.088 1071 HH22 ARG 126 HH22 ARG 126 6.876 -13.601 -0.889 1072 H ILE 127 HN ILE 127 12.238 -7.279 1.584 1073 HA ILE 127 HA ILE 127 15.204 -7.509 1.204 1074 HB ILE 127 HB ILE 127 15.430 -5.974 3.119 1075 HG12 ILE 127 HG12 ILE 127 12.487 -5.253 2.829 1076 HG13 ILE 127 HG13 ILE 127 13.112 -6.251 4.114 1077 HG21 ILE 127 HG21 ILE 127 15.142 -3.879 1.905 1078 HG22 ILE 127 HG22 ILE 127 15.643 -5.128 0.783 1079 HG23 ILE 127 HG23 ILE 127 13.962 -4.614 0.820 1080 HD11 ILE 127 HD11 ILE 127 13.145 -4.222 5.214 1081 HD12 ILE 127 HD12 ILE 127 14.745 -4.112 4.497 1082 HD13 ILE 127 HD13 ILE 127 13.381 -3.290 3.744
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