NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
625925 | 6bgg | 30367 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 290 HT1 LYS 290 -8.808 13.694 -19.372 2 H2 LYS 290 HT2 LYS 290 -8.601 12.050 -19.705 3 H3 LYS 290 HT3 LYS 290 -7.394 12.902 -18.922 4 HA LYS 290 HA LYS 290 -8.686 13.210 -17.015 5 HB2 LYS 290 HB2 LYS 290 -10.801 11.637 -18.509 6 HB3 LYS 290 HB1 LYS 290 -10.844 11.957 -16.786 7 HG2 LYS 290 HG2 LYS 290 -10.846 14.069 -18.925 8 HG3 LYS 290 HG1 LYS 290 -12.285 13.465 -18.097 9 HD2 LYS 290 HD2 LYS 290 -11.433 14.267 -15.975 10 HD3 LYS 290 HD1 LYS 290 -9.929 14.781 -16.726 11 HE2 LYS 290 HE2 LYS 290 -11.190 16.356 -18.124 12 HE3 LYS 290 HE1 LYS 290 -12.677 15.862 -17.317 13 HZ1 LYS 290 HZ1 LYS 290 -11.737 17.899 -16.417 14 HZ2 LYS 290 HZ2 LYS 290 -10.339 17.084 -15.942 15 HZ3 LYS 290 HZ3 LYS 290 -11.834 16.696 -15.253 16 H VAL 291 HN VAL 291 -6.837 12.144 -16.451 17 HA VAL 291 HA VAL 291 -7.372 9.355 -15.870 18 HB VAL 291 HB VAL 291 -4.924 8.844 -16.011 19 HG11 VAL 291 HG11 VAL 291 -6.323 8.191 -17.858 20 HG12 VAL 291 HG12 VAL 291 -4.746 8.711 -18.462 21 HG13 VAL 291 HG13 VAL 291 -6.141 9.781 -18.597 22 HG21 VAL 291 HG21 VAL 291 -4.699 11.543 -17.352 23 HG22 VAL 291 HG22 VAL 291 -3.421 10.336 -17.270 24 HG23 VAL 291 HG23 VAL 291 -4.016 11.095 -15.788 25 H ALA 292 HN ALA 292 -6.957 8.791 -13.845 26 HA ALA 292 HA ALA 292 -6.380 10.955 -11.999 27 HB1 ALA 292 HB1 ALA 292 -8.342 9.549 -11.566 28 HB2 ALA 292 HB2 ALA 292 -7.146 9.339 -10.289 29 HB3 ALA 292 HB3 ALA 292 -7.321 8.114 -11.541 30 HA PRO 293 HA PRO 293 -2.258 9.399 -11.172 31 HB2 PRO 293 HB2 PRO 293 -2.052 10.037 -8.514 32 HB3 PRO 293 HB1 PRO 293 -1.872 11.233 -9.802 33 HG2 PRO 293 HG2 PRO 293 -4.267 10.624 -8.111 34 HG3 PRO 293 HG1 PRO 293 -3.611 12.201 -8.592 35 HD2 PRO 293 HD2 PRO 293 -5.733 11.108 -9.821 36 HD3 PRO 293 HD1 PRO 293 -4.541 12.077 -10.711 37 H LEU 294 HN LEU 294 -1.236 7.946 -9.325 38 HA LEU 294 HA LEU 294 -2.876 5.657 -9.284 39 HB2 LEU 294 HB2 LEU 294 -0.459 5.502 -9.577 40 HB3 LEU 294 HB1 LEU 294 -0.233 6.112 -7.950 41 HG LEU 294 HG LEU 294 -1.161 4.094 -7.004 42 HD11 LEU 294 HD11 LEU 294 -1.585 3.189 -9.852 43 HD12 LEU 294 HD12 LEU 294 -2.853 3.588 -8.689 44 HD13 LEU 294 HD13 LEU 294 -1.801 2.203 -8.407 45 HD21 LEU 294 HD21 LEU 294 0.514 2.532 -7.728 46 HD22 LEU 294 HD22 LEU 294 1.191 4.154 -7.585 47 HD23 LEU 294 HD23 LEU 294 0.809 3.487 -9.177 48 H LYS 295 HN LYS 295 -4.576 5.891 -8.212 49 HA LYS 295 HA LYS 295 -4.513 5.876 -5.292 50 HB2 LYS 295 HB2 LYS 295 -6.410 7.440 -7.069 51 HB3 LYS 295 HB1 LYS 295 -6.637 7.173 -5.351 52 HG2 LYS 295 HG2 LYS 295 -4.619 8.464 -4.873 53 HG3 LYS 295 HG1 LYS 295 -4.367 8.713 -6.604 54 HD2 LYS 295 HD2 LYS 295 -5.412 10.668 -5.512 55 HD3 LYS 295 HD1 LYS 295 -6.452 9.961 -6.745 56 HE2 LYS 295 HE2 LYS 295 -7.695 10.575 -4.716 57 HE3 LYS 295 HE1 LYS 295 -7.782 8.845 -5.027 58 HZ1 LYS 295 HZ1 LYS 295 -6.002 8.567 -3.321 59 HZ2 LYS 295 HZ2 LYS 295 -7.416 9.226 -2.714 60 HZ3 LYS 295 HZ3 LYS 295 -6.105 10.231 -3.009 61 H ILE 296 HN ILE 296 -6.686 4.927 -4.571 62 HA ILE 296 HA ILE 296 -8.205 3.603 -6.576 63 HB ILE 296 HB ILE 296 -6.408 1.948 -6.270 64 HG12 ILE 296 HG12 ILE 296 -7.755 -0.039 -5.557 65 HG13 ILE 296 HG11 ILE 296 -9.009 1.063 -5.004 66 HG21 ILE 296 HG21 ILE 296 -6.027 0.806 -4.145 67 HG22 ILE 296 HG22 ILE 296 -7.129 1.940 -3.360 68 HG23 ILE 296 HG23 ILE 296 -5.628 2.523 -4.081 69 HD11 ILE 296 HD11 ILE 296 -8.044 0.790 -7.845 70 HD12 ILE 296 HD12 ILE 296 -9.323 1.868 -7.284 71 HD13 ILE 296 HD13 ILE 296 -9.533 0.120 -7.184 72 H LYS 297 HN LYS 297 -10.236 3.402 -5.958 73 HA LYS 297 HA LYS 297 -11.024 4.218 -3.255 74 HB2 LYS 297 HB2 LYS 297 -12.210 4.350 -5.951 75 HB3 LYS 297 HB1 LYS 297 -13.322 3.895 -4.687 76 HG2 LYS 297 HG2 LYS 297 -13.498 6.247 -5.107 77 HG3 LYS 297 HG1 LYS 297 -12.806 6.002 -3.513 78 HD2 LYS 297 HD2 LYS 297 -11.093 6.562 -5.918 79 HD3 LYS 297 HD1 LYS 297 -11.861 7.859 -5.010 80 HE2 LYS 297 HE2 LYS 297 -9.846 5.853 -4.006 81 HE3 LYS 297 HE1 LYS 297 -9.618 7.584 -4.218 82 HZ1 LYS 297 HZ1 LYS 297 -11.725 7.515 -2.525 83 HZ2 LYS 297 HZ2 LYS 297 -10.117 7.709 -2.119 84 HZ3 LYS 297 HZ3 LYS 297 -10.817 6.176 -1.994 85 H LEU 298 HN LEU 298 -12.547 2.932 -2.111 86 HA LEU 298 HA LEU 298 -12.752 0.174 -3.151 87 HB2 LEU 298 HB2 LEU 298 -11.732 0.859 -0.729 88 HB3 LEU 298 HB1 LEU 298 -13.417 0.710 -0.306 89 HG LEU 298 HG LEU 298 -12.202 -1.317 0.214 90 HD11 LEU 298 HD11 LEU 298 -13.584 -2.971 -0.939 91 HD12 LEU 298 HD12 LEU 298 -14.059 -1.751 -2.120 92 HD13 LEU 298 HD13 LEU 298 -14.540 -1.574 -0.435 93 HD21 LEU 298 HD21 LEU 298 -11.556 -1.449 -2.730 94 HD22 LEU 298 HD22 LEU 298 -11.217 -2.710 -1.554 95 HD23 LEU 298 HD23 LEU 298 -10.421 -1.145 -1.417 96 H GLY 299 HN GLY 299 -14.644 -0.211 -4.014 97 HA2 GLY 299 HA2 GLY 299 -16.926 -0.551 -3.931 98 HA3 GLY 299 HA1 GLY 299 -17.020 0.557 -2.563 99 H GLY 300 HN GLY 300 -17.509 2.607 -2.895 100 HA2 GLY 300 HA2 GLY 300 -18.276 3.301 -5.612 101 HA3 GLY 300 HA1 GLY 300 -18.809 4.100 -4.136 102 H PHE 301 HN PHE 301 -18.256 5.920 -5.647 103 HA PHE 301 HA PHE 301 -15.465 6.718 -5.234 104 HB2 PHE 301 HB2 PHE 301 -17.110 7.108 -7.751 105 HB3 PHE 301 HB1 PHE 301 -15.577 7.904 -7.450 106 HD1 PHE 301 HD1 PHE 301 -17.206 4.677 -8.156 107 HD2 PHE 301 HD2 PHE 301 -13.507 6.733 -7.710 108 HE1 PHE 301 HE1 PHE 301 -16.028 2.765 -9.161 109 HE2 PHE 301 HE2 PHE 301 -12.323 4.824 -8.712 110 HZ PHE 301 HZ PHE 301 -13.582 2.838 -9.439 111 H ALA 557 HN ALA 557 35.420 9.948 2.196 112 HA ALA 557 HA ALA 557 35.945 12.049 0.308 113 HB1 ALA 557 HB1 ALA 557 37.258 9.352 0.673 114 HB2 ALA 557 HB2 ALA 557 37.779 10.863 1.416 115 HB3 ALA 557 HB3 ALA 557 37.864 10.663 -0.336 116 H SER 558 HN SER 558 34.409 8.970 0.341 117 HA SER 558 HA SER 558 33.455 9.416 -2.347 118 HB2 SER 558 HB2 SER 558 34.865 6.860 -1.532 119 HB3 SER 558 HB1 SER 558 34.014 7.124 -3.057 120 HG SER 558 HG SER 558 35.721 9.115 -2.672 121 H ALA 559 HN ALA 559 31.341 9.017 -2.385 122 HA ALA 559 HA ALA 559 29.849 8.136 -0.199 123 HB1 ALA 559 HB1 ALA 559 27.976 7.922 -1.791 124 HB2 ALA 559 HB2 ALA 559 29.111 8.039 -3.135 125 HB3 ALA 559 HB3 ALA 559 28.876 9.414 -2.058 126 H SER 560 HN SER 560 29.268 6.164 0.516 127 HA SER 560 HA SER 560 30.770 3.926 -0.461 128 HB2 SER 560 HB2 SER 560 28.702 3.944 1.725 129 HB3 SER 560 HB1 SER 560 30.054 2.835 1.523 130 HG SER 560 HG SER 560 29.981 5.438 2.466 131 H TYR 561 HN TYR 561 27.762 5.199 -1.178 132 HA TYR 561 HA TYR 561 25.902 4.537 -2.160 133 HB2 TYR 561 HB2 TYR 561 27.956 3.223 -3.457 134 HB3 TYR 561 HB1 TYR 561 26.662 2.021 -3.340 135 HD1 TYR 561 HD1 TYR 561 27.251 5.563 -4.280 136 HD2 TYR 561 HD2 TYR 561 24.958 2.056 -4.939 137 HE1 TYR 561 HE1 TYR 561 26.064 6.698 -6.137 138 HE2 TYR 561 HE2 TYR 561 23.773 3.151 -6.785 139 HH TYR 561 HH TYR 561 24.807 6.033 -8.198 140 H ASP 562 HN ASP 562 25.013 4.331 -0.405 141 HA ASP 562 HA ASP 562 25.153 2.057 1.307 142 HB2 ASP 562 HB2 ASP 562 23.444 4.530 1.438 143 HB3 ASP 562 HB1 ASP 562 23.415 3.260 2.647 144 H SER 563 HN SER 563 23.938 0.396 1.365 145 HA SER 563 HA SER 563 21.466 0.484 -0.107 146 HB2 SER 563 HB2 SER 563 23.096 -1.980 0.552 147 HB3 SER 563 HB1 SER 563 21.695 -1.846 -0.526 148 HG SER 563 HG SER 563 24.190 -0.592 -0.867 149 H GLU 564 HN GLU 564 19.909 0.564 1.252 150 HA GLU 564 HA GLU 564 20.464 -0.070 4.042 151 HB2 GLU 564 HB2 GLU 564 18.551 1.827 2.780 152 HB3 GLU 564 HB1 GLU 564 18.534 1.429 4.495 153 HG2 GLU 564 HG2 GLU 564 20.815 2.660 2.980 154 HG3 GLU 564 HG1 GLU 564 19.695 3.490 4.074 155 H GLU 565 HN GLU 565 18.469 -0.432 5.294 156 HA GLU 565 HA GLU 565 16.659 -2.302 3.961 157 HB2 GLU 565 HB2 GLU 565 18.563 -3.464 5.208 158 HB3 GLU 565 HB1 GLU 565 17.909 -2.790 6.687 159 HG2 GLU 565 HG2 GLU 565 15.784 -3.980 6.240 160 HG3 GLU 565 HG1 GLU 565 16.537 -4.722 4.832 161 H GLU 566 HN GLU 566 16.219 0.342 4.464 162 HA GLU 566 HA GLU 566 14.722 0.576 6.946 163 HB2 GLU 566 HB2 GLU 566 15.213 2.600 4.769 164 HB3 GLU 566 HB1 GLU 566 14.359 2.916 6.267 165 HG2 GLU 566 HG2 GLU 566 16.433 2.381 7.495 166 HG3 GLU 566 HG1 GLU 566 17.259 2.218 5.943 167 H GLU 567 HN GLU 567 13.010 -0.785 6.547 168 HA GLU 567 HA GLU 567 11.451 -0.982 4.287 169 HB2 GLU 567 HB2 GLU 567 10.709 -1.303 7.185 170 HB3 GLU 567 HB1 GLU 567 9.619 -1.715 5.873 171 HG2 GLU 567 HG2 GLU 567 12.348 -2.897 6.227 172 HG3 GLU 567 HG1 GLU 567 10.866 -3.648 6.837 173 H GLU 568 HN GLU 568 10.843 0.917 7.082 174 HA GLU 568 HA GLU 568 8.659 2.387 5.852 175 HB2 GLU 568 HB2 GLU 568 9.863 3.170 8.446 176 HB3 GLU 568 HB1 GLU 568 8.193 3.254 7.949 177 HG2 GLU 568 HG2 GLU 568 8.044 1.544 9.434 178 HG3 GLU 568 HG1 GLU 568 8.488 0.599 8.005 179 H GLY 569 HN GLY 569 11.642 2.717 5.068 180 HA2 GLY 569 HA2 GLY 569 11.525 5.651 5.141 181 HA3 GLY 569 HA1 GLY 569 12.993 4.855 5.675 182 H LEU 570 HN LEU 570 11.752 3.021 3.232 183 HA LEU 570 HA LEU 570 13.609 4.260 1.413 184 HB2 LEU 570 HB2 LEU 570 13.378 2.180 0.042 185 HB3 LEU 570 HB1 LEU 570 14.023 1.942 1.643 186 HG LEU 570 HG LEU 570 11.711 1.108 2.320 187 HD11 LEU 570 HD11 LEU 570 10.396 1.995 0.477 188 HD12 LEU 570 HD12 LEU 570 10.260 0.240 0.576 189 HD13 LEU 570 HD13 LEU 570 11.284 0.977 -0.657 190 HD21 LEU 570 HD21 LEU 570 13.240 -0.422 0.238 191 HD22 LEU 570 HD22 LEU 570 12.105 -1.110 1.403 192 HD23 LEU 570 HD23 LEU 570 13.596 -0.350 1.961 193 HA PRO 571 HA PRO 571 10.401 5.952 -1.058 194 HB2 PRO 571 HB2 PRO 571 11.825 6.372 -3.343 195 HB3 PRO 571 HB1 PRO 571 11.909 7.449 -1.948 196 HG2 PRO 571 HG2 PRO 571 13.839 5.368 -2.848 197 HG3 PRO 571 HG1 PRO 571 14.147 6.916 -2.045 198 HD2 PRO 571 HD2 PRO 571 14.187 4.467 -0.777 199 HD3 PRO 571 HD1 PRO 571 13.900 6.016 0.035 200 H MET 572 HN MET 572 8.922 4.903 -2.141 201 HA MET 572 HA MET 572 9.589 2.323 -3.365 202 HB2 MET 572 HB2 MET 572 6.917 3.527 -2.634 203 HB3 MET 572 HB1 MET 572 7.136 1.957 -3.392 204 HG2 MET 572 HG2 MET 572 8.373 1.163 -1.463 205 HG3 MET 572 HG1 MET 572 8.245 2.744 -0.705 206 HE1 MET 572 HE1 MET 572 5.446 0.795 -2.731 207 HE2 MET 572 HE2 MET 572 4.670 -0.078 -1.415 208 HE3 MET 572 HE3 MET 572 6.330 -0.465 -1.870 209 H SER 573 HN SER 573 9.236 1.815 -5.391 210 HA SER 573 HA SER 573 9.386 3.992 -7.236 211 HB2 SER 573 HB2 SER 573 10.787 2.008 -7.518 212 HB3 SER 573 HB1 SER 573 9.363 0.982 -7.595 213 HG SER 573 HG SER 573 10.086 1.341 -9.636 214 H TYR 574 HN TYR 574 7.958 4.118 -9.119 215 HA TYR 574 HA TYR 574 5.223 4.168 -8.473 216 HB2 TYR 574 HB2 TYR 574 6.517 4.112 -11.211 217 HB3 TYR 574 HB1 TYR 574 4.835 4.513 -10.900 218 HD1 TYR 574 HD1 TYR 574 8.183 5.756 -11.107 219 HD2 TYR 574 HD2 TYR 574 4.352 6.534 -9.463 220 HE1 TYR 574 HE1 TYR 574 8.800 8.116 -10.805 221 HE2 TYR 574 HE2 TYR 574 4.954 8.896 -9.151 222 HH TYR 574 HH TYR 574 6.984 10.230 -8.903 223 H ASP 575 HN ASP 575 7.239 1.812 -10.012 224 HA ASP 575 HA ASP 575 5.287 -0.019 -10.868 225 HB2 ASP 575 HB2 ASP 575 7.585 -0.177 -11.630 226 HB3 ASP 575 HB1 ASP 575 8.139 -0.480 -9.988 227 H GLU 576 HN GLU 576 7.091 0.211 -7.815 228 HA GLU 576 HA GLU 576 5.996 -1.991 -6.547 229 HB2 GLU 576 HB2 GLU 576 7.030 0.578 -5.397 230 HB3 GLU 576 HB1 GLU 576 6.726 -0.888 -4.473 231 HG2 GLU 576 HG2 GLU 576 8.322 -2.067 -5.905 232 HG3 GLU 576 HG1 GLU 576 8.676 -0.566 -6.717 233 H LYS 577 HN LYS 577 5.111 1.413 -6.470 234 HA LYS 577 HA LYS 577 2.906 1.264 -4.745 235 HB2 LYS 577 HB2 LYS 577 3.292 3.102 -7.091 236 HB3 LYS 577 HB1 LYS 577 2.186 3.378 -5.755 237 HG2 LYS 577 HG2 LYS 577 4.114 3.512 -4.219 238 HG3 LYS 577 HG1 LYS 577 5.197 3.328 -5.603 239 HD2 LYS 577 HD2 LYS 577 4.232 5.358 -6.602 240 HD3 LYS 577 HD1 LYS 577 3.213 5.574 -5.187 241 HE2 LYS 577 HE2 LYS 577 5.355 5.592 -3.836 242 HE3 LYS 577 HE1 LYS 577 6.208 5.721 -5.367 243 HZ1 LYS 577 HZ1 LYS 577 4.246 7.610 -4.215 244 HZ2 LYS 577 HZ2 LYS 577 4.702 7.755 -5.789 245 HZ3 LYS 577 HZ3 LYS 577 5.860 7.954 -4.548 246 H ARG 578 HN ARG 578 3.119 0.965 -8.246 247 HA ARG 578 HA ARG 578 0.444 0.603 -8.909 248 HB2 ARG 578 HB2 ARG 578 2.276 0.852 -10.552 249 HB3 ARG 578 HB1 ARG 578 2.843 -0.756 -10.149 250 HG2 ARG 578 HG2 ARG 578 1.621 -0.830 -12.231 251 HG3 ARG 578 HG1 ARG 578 0.711 -1.688 -10.988 252 HD2 ARG 578 HD2 ARG 578 -0.719 -0.251 -12.393 253 HD3 ARG 578 HD1 ARG 578 -0.760 0.220 -10.696 254 HE ARG 578 HE ARG 578 1.230 1.686 -12.016 255 HH11 ARG 578 HH11 ARG 578 -2.286 1.433 -11.964 256 HH12 ARG 578 HH12 ARG 578 -2.583 3.048 -12.341 257 HH21 ARG 578 HH21 ARG 578 0.877 3.956 -12.471 258 HH22 ARG 578 HH22 ARG 578 -0.683 4.579 -12.575 259 H GLN 579 HN GLN 579 2.873 -1.826 -8.032 260 HA GLN 579 HA GLN 579 1.107 -3.997 -8.136 261 HB2 GLN 579 HB2 GLN 579 3.855 -3.608 -7.250 262 HB3 GLN 579 HB1 GLN 579 2.988 -4.833 -6.325 263 HG2 GLN 579 HG2 GLN 579 2.919 -4.812 -9.304 264 HG3 GLN 579 HG1 GLN 579 4.264 -5.551 -8.437 265 HE21 GLN 579 HE21 GLN 579 1.017 -5.730 -7.043 266 HE22 GLN 579 HE22 GLN 579 0.769 -7.376 -7.381 267 H LEU 580 HN LEU 580 1.959 -1.876 -5.539 268 HA LEU 580 HA LEU 580 0.671 -3.132 -3.444 269 HB2 LEU 580 HB2 LEU 580 1.542 -0.432 -4.069 270 HB3 LEU 580 HB1 LEU 580 0.134 -0.480 -3.028 271 HG LEU 580 HG LEU 580 2.260 -0.320 -1.787 272 HD11 LEU 580 HD11 LEU 580 1.711 -2.044 -0.177 273 HD12 LEU 580 HD12 LEU 580 0.730 -2.882 -1.379 274 HD13 LEU 580 HD13 LEU 580 0.245 -1.290 -0.802 275 HD21 LEU 580 HD21 LEU 580 2.740 -3.107 -2.860 276 HD22 LEU 580 HD22 LEU 580 3.738 -2.251 -1.681 277 HD23 LEU 580 HD23 LEU 580 3.627 -1.662 -3.337 278 H SER 581 HN SER 581 -0.692 -0.975 -5.872 279 HA SER 581 HA SER 581 -3.252 -0.914 -4.715 280 HB2 SER 581 HB2 SER 581 -2.464 0.777 -6.354 281 HB3 SER 581 HB1 SER 581 -2.502 -0.454 -7.616 282 HG SER 581 HG SER 581 -4.853 -0.510 -6.458 283 H LEU 582 HN LEU 582 -1.666 -3.052 -6.971 284 HA LEU 582 HA LEU 582 -3.998 -4.520 -7.769 285 HB2 LEU 582 HB2 LEU 582 -1.132 -5.457 -7.776 286 HB3 LEU 582 HB1 LEU 582 -2.450 -6.075 -8.745 287 HG LEU 582 HG LEU 582 -1.173 -3.360 -9.030 288 HD11 LEU 582 HD11 LEU 582 -0.313 -4.224 -11.140 289 HD12 LEU 582 HD12 LEU 582 -1.020 -5.798 -10.783 290 HD13 LEU 582 HD13 LEU 582 0.276 -5.167 -9.771 291 HD21 LEU 582 HD21 LEU 582 -2.524 -3.155 -11.064 292 HD22 LEU 582 HD22 LEU 582 -3.535 -3.295 -9.626 293 HD23 LEU 582 HD23 LEU 582 -3.310 -4.688 -10.687 294 H ASP 583 HN ASP 583 -1.438 -4.989 -5.404 295 HA ASP 583 HA ASP 583 -2.353 -7.491 -4.483 296 HB2 ASP 583 HB2 ASP 583 -0.529 -5.470 -3.197 297 HB3 ASP 583 HB1 ASP 583 -0.886 -7.043 -2.494 298 H ILE 584 HN ILE 584 -3.092 -4.254 -3.468 299 HA ILE 584 HA ILE 584 -4.624 -5.064 -1.256 300 HB ILE 584 HB ILE 584 -4.547 -2.539 -2.876 301 HG12 ILE 584 HG12 ILE 584 -3.729 -3.312 -0.093 302 HG13 ILE 584 HG11 ILE 584 -2.697 -2.838 -1.433 303 HG21 ILE 584 HG21 ILE 584 -6.077 -1.448 -1.307 304 HG22 ILE 584 HG22 ILE 584 -6.373 -2.999 -0.524 305 HG23 ILE 584 HG23 ILE 584 -6.880 -2.746 -2.195 306 HD11 ILE 584 HD11 ILE 584 -4.639 -1.133 0.031 307 HD12 ILE 584 HD12 ILE 584 -3.631 -0.581 -1.318 308 HD13 ILE 584 HD13 ILE 584 -2.883 -1.072 0.218 309 H ASN 585 HN ASN 585 -5.458 -4.613 -4.653 310 HA ASN 585 HA ASN 585 -8.214 -5.189 -4.145 311 HB2 ASN 585 HB2 ASN 585 -6.666 -4.971 -6.720 312 HB3 ASN 585 HB1 ASN 585 -8.326 -5.557 -6.703 313 HD21 ASN 585 HD21 ASN 585 -9.970 -4.129 -6.093 314 HD22 ASN 585 HD22 ASN 585 -9.773 -2.419 -6.120 315 H ARG 586 HN ARG 586 -5.432 -7.027 -4.548 316 HA ARG 586 HA ARG 586 -6.674 -9.493 -5.223 317 HB2 ARG 586 HB2 ARG 586 -4.013 -8.853 -3.969 318 HB3 ARG 586 HB1 ARG 586 -4.536 -10.505 -4.252 319 HG2 ARG 586 HG2 ARG 586 -4.629 -10.102 -6.634 320 HG3 ARG 586 HG1 ARG 586 -4.232 -8.399 -6.385 321 HD2 ARG 586 HD2 ARG 586 -2.036 -8.968 -5.595 322 HD3 ARG 586 HD1 ARG 586 -2.442 -10.686 -5.561 323 HE ARG 586 HE ARG 586 -2.849 -9.988 -8.116 324 HH11 ARG 586 HH11 ARG 586 -0.008 -9.272 -6.072 325 HH12 ARG 586 HH12 ARG 586 1.112 -9.728 -7.269 326 HH21 ARG 586 HH21 ARG 586 -1.315 -10.488 -9.752 327 HH22 ARG 586 HH22 ARG 586 0.362 -10.398 -9.436 328 H LEU 587 HN LEU 587 -6.511 -7.679 -2.340 329 HA LEU 587 HA LEU 587 -6.958 -9.940 -0.603 330 HB2 LEU 587 HB2 LEU 587 -7.070 -6.990 0.000 331 HB3 LEU 587 HB1 LEU 587 -7.164 -8.274 1.176 332 HG LEU 587 HG LEU 587 -4.781 -7.419 -0.442 333 HD11 LEU 587 HD11 LEU 587 -3.830 -7.121 1.836 334 HD12 LEU 587 HD12 LEU 587 -5.443 -7.433 2.477 335 HD13 LEU 587 HD13 LEU 587 -5.163 -6.038 1.433 336 HD21 LEU 587 HD21 LEU 587 -5.039 -9.814 1.382 337 HD22 LEU 587 HD22 LEU 587 -3.528 -9.189 0.731 338 HD23 LEU 587 HD23 LEU 587 -4.749 -9.844 -0.361 339 HA PRO 588 HA PRO 588 -11.403 -9.533 -0.852 340 HB2 PRO 588 HB2 PRO 588 -12.048 -11.014 1.328 341 HB3 PRO 588 HB1 PRO 588 -11.492 -11.766 -0.172 342 HG2 PRO 588 HG2 PRO 588 -9.974 -11.194 2.340 343 HG3 PRO 588 HG1 PRO 588 -9.924 -12.631 1.305 344 HD2 PRO 588 HD2 PRO 588 -8.052 -10.655 1.219 345 HD3 PRO 588 HD1 PRO 588 -8.477 -11.659 -0.185 346 H GLY 589 HN GLY 589 -13.135 -8.635 0.525 347 HA2 GLY 589 HA2 GLY 589 -12.447 -6.210 1.685 348 HA3 GLY 589 HA1 GLY 589 -13.998 -6.994 1.899 349 H GLU 590 HN GLU 590 -12.917 -9.301 3.193 350 HA GLU 590 HA GLU 590 -13.048 -8.681 5.893 351 HB2 GLU 590 HB2 GLU 590 -13.403 -10.893 4.850 352 HB3 GLU 590 HB1 GLU 590 -11.674 -11.017 4.573 353 HG2 GLU 590 HG2 GLU 590 -11.359 -10.826 7.028 354 HG3 GLU 590 HG1 GLU 590 -13.112 -10.927 7.194 355 H LYS 591 HN LYS 591 -10.295 -8.916 3.752 356 HA LYS 591 HA LYS 591 -8.469 -8.498 5.986 357 HB2 LYS 591 HB2 LYS 591 -7.954 -9.382 3.171 358 HB3 LYS 591 HB1 LYS 591 -6.692 -9.115 4.382 359 HG2 LYS 591 HG2 LYS 591 -7.793 -10.755 5.849 360 HG3 LYS 591 HG1 LYS 591 -8.960 -11.077 4.570 361 HD2 LYS 591 HD2 LYS 591 -7.177 -11.774 3.114 362 HD3 LYS 591 HD1 LYS 591 -6.014 -11.392 4.395 363 HE2 LYS 591 HE2 LYS 591 -7.004 -13.082 5.837 364 HE3 LYS 591 HE1 LYS 591 -8.220 -13.444 4.613 365 HZ1 LYS 591 HZ1 LYS 591 -5.285 -13.901 4.328 366 HZ2 LYS 591 HZ2 LYS 591 -6.461 -14.231 3.160 367 HZ3 LYS 591 HZ3 LYS 591 -6.469 -15.068 4.599 368 H LEU 592 HN LEU 592 -9.764 -6.975 3.210 369 HA LEU 592 HA LEU 592 -8.018 -4.844 2.870 370 HB2 LEU 592 HB2 LEU 592 -10.828 -5.416 2.303 371 HB3 LEU 592 HB1 LEU 592 -10.424 -3.713 2.368 372 HG LEU 592 HG LEU 592 -8.798 -5.556 0.649 373 HD11 LEU 592 HD11 LEU 592 -11.141 -5.937 -0.010 374 HD12 LEU 592 HD12 LEU 592 -10.318 -4.946 -1.220 375 HD13 LEU 592 HD13 LEU 592 -11.411 -4.199 -0.051 376 HD21 LEU 592 HD21 LEU 592 -8.004 -3.316 1.088 377 HD22 LEU 592 HD22 LEU 592 -9.542 -2.654 0.531 378 HD23 LEU 592 HD23 LEU 592 -8.489 -3.503 -0.599 379 H GLY 593 HN GLY 593 -10.483 -5.445 5.241 380 HA2 GLY 593 HA2 GLY 593 -10.894 -2.952 6.341 381 HA3 GLY 593 HA1 GLY 593 -10.941 -4.462 7.243 382 H ARG 594 HN ARG 594 -8.131 -5.110 6.866 383 HA ARG 594 HA ARG 594 -7.173 -3.467 8.978 384 HB2 ARG 594 HB2 ARG 594 -6.547 -5.783 9.080 385 HB3 ARG 594 HB1 ARG 594 -5.777 -5.720 7.505 386 HG2 ARG 594 HG2 ARG 594 -4.141 -5.716 9.331 387 HG3 ARG 594 HG1 ARG 594 -4.063 -4.228 8.381 388 HD2 ARG 594 HD2 ARG 594 -5.456 -3.109 10.024 389 HD3 ARG 594 HD1 ARG 594 -5.521 -4.594 10.962 390 HE ARG 594 HE ARG 594 -2.852 -4.033 10.749 391 HH11 ARG 594 HH11 ARG 594 -5.658 -2.272 11.976 392 HH12 ARG 594 HH12 ARG 594 -4.766 -1.169 12.901 393 HH21 ARG 594 HH21 ARG 594 -1.590 -2.539 12.109 394 HH22 ARG 594 HH22 ARG 594 -2.392 -1.311 12.960 395 H VAL 595 HN VAL 595 -6.396 -3.821 5.550 396 HA VAL 595 HA VAL 595 -4.215 -2.056 5.734 397 HB VAL 595 HB VAL 595 -4.538 -3.638 3.790 398 HG11 VAL 595 HG11 VAL 595 -6.476 -1.606 2.771 399 HG12 VAL 595 HG12 VAL 595 -6.848 -3.241 3.304 400 HG13 VAL 595 HG13 VAL 595 -5.840 -2.988 1.873 401 HG21 VAL 595 HG21 VAL 595 -4.028 -0.768 3.073 402 HG22 VAL 595 HG22 VAL 595 -3.569 -2.165 2.100 403 HG23 VAL 595 HG23 VAL 595 -2.843 -1.922 3.689 404 H VAL 596 HN VAL 596 -7.622 -1.517 5.256 405 HA VAL 596 HA VAL 596 -7.578 1.212 4.663 406 HB VAL 596 HB VAL 596 -9.617 -0.259 6.394 407 HG11 VAL 596 HG11 VAL 596 -11.175 1.521 5.777 408 HG12 VAL 596 HG12 VAL 596 -9.888 2.349 4.911 409 HG13 VAL 596 HG13 VAL 596 -9.792 2.173 6.667 410 HG21 VAL 596 HG21 VAL 596 -10.962 -0.415 4.357 411 HG22 VAL 596 HG22 VAL 596 -9.420 -1.252 4.177 412 HG23 VAL 596 HG23 VAL 596 -9.658 0.329 3.436 413 H HIS 597 HN HIS 597 -7.473 -0.451 7.840 414 HA HIS 597 HA HIS 597 -7.489 1.937 9.363 415 HB2 HIS 597 HB2 HIS 597 -6.791 -0.916 10.028 416 HB3 HIS 597 HB1 HIS 597 -6.562 0.375 11.198 417 HD1 HIS 597 HD1 HIS 597 -9.092 -2.023 10.048 418 HD2 HIS 597 HD2 HIS 597 -9.074 1.756 11.803 419 HE1 HIS 597 HE1 HIS 597 -11.344 -1.726 11.103 420 H ILE 598 HN ILE 598 -4.989 -0.030 7.956 421 HA ILE 598 HA ILE 598 -2.790 1.027 9.285 422 HB ILE 598 HB ILE 598 -2.939 -0.021 6.437 423 HG12 ILE 598 HG12 ILE 598 -2.081 -1.396 8.997 424 HG13 ILE 598 HG11 ILE 598 -3.604 -1.660 8.159 425 HG21 ILE 598 HG21 ILE 598 -0.956 1.346 6.719 426 HG22 ILE 598 HG22 ILE 598 -0.511 -0.360 6.607 427 HG23 ILE 598 HG23 ILE 598 -0.521 0.448 8.171 428 HD11 ILE 598 HD11 ILE 598 -2.080 -3.455 7.683 429 HD12 ILE 598 HD12 ILE 598 -0.849 -2.316 7.141 430 HD13 ILE 598 HD13 ILE 598 -2.329 -2.516 6.211 431 H ILE 599 HN ILE 599 -4.464 2.060 6.350 432 HA ILE 599 HA ILE 599 -2.783 4.252 5.770 433 HB ILE 599 HB ILE 599 -5.701 3.856 5.063 434 HG12 ILE 599 HG12 ILE 599 -3.354 3.239 3.317 435 HG13 ILE 599 HG11 ILE 599 -3.968 2.045 4.458 436 HG21 ILE 599 HG21 ILE 599 -5.163 5.364 3.172 437 HG22 ILE 599 HG22 ILE 599 -3.519 5.542 3.796 438 HG23 ILE 599 HG23 ILE 599 -4.879 6.150 4.726 439 HD11 ILE 599 HD11 ILE 599 -4.856 1.823 2.173 440 HD12 ILE 599 HD12 ILE 599 -5.664 3.402 2.412 441 HD13 ILE 599 HD13 ILE 599 -6.047 2.034 3.449 442 H GLN 600 HN GLN 600 -5.925 3.950 7.443 443 HA GLN 600 HA GLN 600 -6.433 6.607 8.023 444 HB2 GLN 600 HB2 GLN 600 -7.078 4.245 9.746 445 HB3 GLN 600 HB1 GLN 600 -7.835 5.831 9.830 446 HG2 GLN 600 HG2 GLN 600 -8.471 5.525 7.470 447 HG3 GLN 600 HG1 GLN 600 -7.959 3.846 7.613 448 HE21 GLN 600 HE21 GLN 600 -10.257 6.165 8.436 449 HE22 GLN 600 HE22 GLN 600 -11.394 5.117 9.211 450 H SER 601 HN SER 601 -4.294 4.423 9.575 451 HA SER 601 HA SER 601 -3.810 5.660 12.004 452 HB2 SER 601 HB2 SER 601 -1.879 4.255 10.181 453 HB3 SER 601 HB1 SER 601 -1.578 4.573 11.890 454 HG SER 601 HG SER 601 -3.854 3.110 10.988 455 H ARG 602 HN ARG 602 -2.496 6.407 8.785 456 HA ARG 602 HA ARG 602 -1.123 8.714 9.968 457 HB2 ARG 602 HB2 ARG 602 0.208 7.247 8.441 458 HB3 ARG 602 HB1 ARG 602 -0.901 7.683 7.139 459 HG2 ARG 602 HG2 ARG 602 -0.345 10.096 7.693 460 HG3 ARG 602 HG1 ARG 602 0.994 9.452 8.636 461 HD2 ARG 602 HD2 ARG 602 1.839 8.348 6.605 462 HD3 ARG 602 HD1 ARG 602 0.518 9.075 5.686 463 HE ARG 602 HE ARG 602 2.666 10.535 7.041 464 HH11 ARG 602 HH11 ARG 602 -0.002 10.615 4.674 465 HH12 ARG 602 HH12 ARG 602 0.577 12.000 3.896 466 HH21 ARG 602 HH21 ARG 602 3.360 12.505 5.999 467 HH22 ARG 602 HH22 ARG 602 2.485 13.121 4.672 468 H GLU 603 HN GLU 603 -3.554 7.747 7.666 469 HA GLU 603 HA GLU 603 -3.880 10.454 6.679 470 HB2 GLU 603 HB2 GLU 603 -4.969 7.829 5.776 471 HB3 GLU 603 HB1 GLU 603 -5.396 9.333 5.001 472 HG2 GLU 603 HG2 GLU 603 -2.668 8.016 5.141 473 HG3 GLU 603 HG1 GLU 603 -3.662 8.254 3.709 474 HA PRO 604 HA PRO 604 -7.475 10.483 9.264 475 HB2 PRO 604 HB2 PRO 604 -7.398 13.017 9.998 476 HB3 PRO 604 HB1 PRO 604 -6.108 11.871 10.470 477 HG2 PRO 604 HG2 PRO 604 -6.030 13.897 8.260 478 HG3 PRO 604 HG1 PRO 604 -4.825 13.581 9.526 479 HD2 PRO 604 HD2 PRO 604 -4.817 12.483 6.969 480 HD3 PRO 604 HD1 PRO 604 -3.936 11.832 8.370 481 H SER 605 HN SER 605 -6.737 11.619 6.262 482 HA SER 605 HA SER 605 -9.035 13.107 5.577 483 HB2 SER 605 HB2 SER 605 -7.908 12.456 3.309 484 HB3 SER 605 HB1 SER 605 -7.118 13.608 4.400 485 HG SER 605 HG SER 605 -5.919 11.585 3.555 486 H LEU 606 HN LEU 606 -7.927 9.779 5.469 487 HA LEU 606 HA LEU 606 -10.096 8.748 3.933 488 HB2 LEU 606 HB2 LEU 606 -7.891 7.659 4.287 489 HB3 LEU 606 HB1 LEU 606 -8.318 7.303 5.930 490 HG LEU 606 HG LEU 606 -9.696 6.206 3.436 491 HD11 LEU 606 HD11 LEU 606 -7.501 5.421 3.660 492 HD12 LEU 606 HD12 LEU 606 -8.649 4.114 4.008 493 HD13 LEU 606 HD13 LEU 606 -7.787 4.935 5.330 494 HD21 LEU 606 HD21 LEU 606 -10.092 5.423 6.331 495 HD22 LEU 606 HD22 LEU 606 -10.801 4.595 4.941 496 HD23 LEU 606 HD23 LEU 606 -11.259 6.257 5.313 497 H ARG 607 HN ARG 607 -9.340 8.851 7.368 498 HA ARG 607 HA ARG 607 -11.671 7.887 8.542 499 HB2 ARG 607 HB2 ARG 607 -9.904 10.145 9.452 500 HB3 ARG 607 HB1 ARG 607 -11.109 9.351 10.452 501 HG2 ARG 607 HG2 ARG 607 -9.902 7.287 10.351 502 HG3 ARG 607 HG1 ARG 607 -8.748 7.966 9.209 503 HD2 ARG 607 HD2 ARG 607 -7.862 7.943 11.520 504 HD3 ARG 607 HD1 ARG 607 -8.024 9.573 10.852 505 HE ARG 607 HE ARG 607 -10.361 8.979 12.236 506 HH11 ARG 607 HH11 ARG 607 -6.946 9.425 13.071 507 HH12 ARG 607 HH12 ARG 607 -7.273 10.169 14.560 508 HH21 ARG 607 HH21 ARG 607 -10.792 10.026 14.241 509 HH22 ARG 607 HH22 ARG 607 -9.513 10.537 15.252 510 H ASP 608 HN ASP 608 -10.989 11.002 7.210 511 HA ASP 608 HA ASP 608 -13.231 12.473 8.055 512 HB2 ASP 608 HB2 ASP 608 -11.305 13.562 7.082 513 HB3 ASP 608 HB1 ASP 608 -11.544 12.716 5.563 514 H SER 609 HN SER 609 -12.841 10.153 5.505 515 HA SER 609 HA SER 609 -15.486 10.696 4.427 516 HB2 SER 609 HB2 SER 609 -13.529 10.411 2.865 517 HB3 SER 609 HB1 SER 609 -13.322 8.772 3.477 518 HG SER 609 HG SER 609 -14.534 8.553 1.649 519 H ASN 610 HN ASN 610 -16.108 8.132 3.653 520 HA ASN 610 HA ASN 610 -16.839 6.914 6.216 521 HB2 ASN 610 HB2 ASN 610 -17.785 6.311 3.393 522 HB3 ASN 610 HB1 ASN 610 -18.365 5.498 4.833 523 HD21 ASN 610 HD21 ASN 610 -18.520 7.911 6.478 524 HD22 ASN 610 HD22 ASN 610 -19.840 8.820 5.863 525 HA PRO 611 HA PRO 611 -13.543 3.960 5.757 526 HB2 PRO 611 HB2 PRO 611 -14.504 1.964 7.362 527 HB3 PRO 611 HB1 PRO 611 -13.781 3.457 7.973 528 HG2 PRO 611 HG2 PRO 611 -16.668 2.747 7.666 529 HG3 PRO 611 HG1 PRO 611 -15.858 3.567 9.009 530 HD2 PRO 611 HD2 PRO 611 -17.272 4.922 7.144 531 HD3 PRO 611 HD1 PRO 611 -15.826 5.610 7.912 532 H ASP 612 HN ASP 612 -16.641 3.430 4.727 533 HA ASP 612 HA ASP 612 -16.575 0.841 3.576 534 HB2 ASP 612 HB2 ASP 612 -18.581 2.222 3.857 535 HB3 ASP 612 HB1 ASP 612 -17.971 3.344 2.677 536 H GLU 613 HN GLU 613 -15.431 3.914 2.693 537 HA GLU 613 HA GLU 613 -14.443 3.009 0.066 538 HB2 GLU 613 HB2 GLU 613 -15.696 5.121 -0.014 539 HB3 GLU 613 HB1 GLU 613 -14.669 5.801 1.241 540 HG2 GLU 613 HG2 GLU 613 -12.722 5.444 -0.347 541 HG3 GLU 613 HG1 GLU 613 -13.920 5.116 -1.591 542 H ILE 614 HN ILE 614 -12.335 2.562 -0.109 543 HA ILE 614 HA ILE 614 -10.569 3.361 2.028 544 HB ILE 614 HB ILE 614 -10.433 1.011 0.824 545 HG12 ILE 614 HG12 ILE 614 -7.868 2.583 1.085 546 HG13 ILE 614 HG11 ILE 614 -8.757 1.923 2.450 547 HG21 ILE 614 HG21 ILE 614 -10.353 1.938 -1.521 548 HG22 ILE 614 HG22 ILE 614 -8.995 0.883 -1.141 549 HG23 ILE 614 HG23 ILE 614 -8.779 2.629 -1.134 550 HD11 ILE 614 HD11 ILE 614 -6.865 0.495 1.814 551 HD12 ILE 614 HD12 ILE 614 -7.549 0.304 0.200 552 HD13 ILE 614 HD13 ILE 614 -8.400 -0.340 1.600 553 H GLU 615 HN GLU 615 -9.077 4.873 1.831 554 HA GLU 615 HA GLU 615 -9.028 6.408 -0.657 555 HB2 GLU 615 HB2 GLU 615 -10.207 7.602 1.157 556 HB3 GLU 615 HB1 GLU 615 -8.757 7.497 2.158 557 HG2 GLU 615 HG2 GLU 615 -8.947 9.691 1.157 558 HG3 GLU 615 HG1 GLU 615 -7.543 8.838 0.510 559 H ILE 616 HN ILE 616 -7.174 6.049 -1.585 560 HA ILE 616 HA ILE 616 -4.747 6.072 0.065 561 HB ILE 616 HB ILE 616 -5.085 4.271 -2.353 562 HG12 ILE 616 HG12 ILE 616 -5.163 3.499 0.556 563 HG13 ILE 616 HG11 ILE 616 -6.562 3.492 -0.519 564 HG21 ILE 616 HG21 ILE 616 -2.800 4.971 -1.836 565 HG22 ILE 616 HG22 ILE 616 -3.010 3.250 -1.520 566 HG23 ILE 616 HG23 ILE 616 -2.987 4.395 -0.180 567 HD11 ILE 616 HD11 ILE 616 -4.095 1.789 -0.781 568 HD12 ILE 616 HD12 ILE 616 -5.486 1.754 -1.866 569 HD13 ILE 616 HD13 ILE 616 -5.664 1.260 -0.183 570 H ASP 617 HN ASP 617 -3.320 7.470 -0.709 571 HA ASP 617 HA ASP 617 -3.200 7.830 -3.572 572 HB2 ASP 617 HB2 ASP 617 -2.459 10.221 -3.232 573 HB3 ASP 617 HB1 ASP 617 -4.147 9.934 -2.852 574 H PHE 618 HN PHE 618 -1.481 6.927 -4.226 575 HA PHE 618 HA PHE 618 0.496 6.153 -2.319 576 HB2 PHE 618 HB2 PHE 618 0.392 5.720 -5.310 577 HB3 PHE 618 HB1 PHE 618 1.593 5.027 -4.228 578 HD1 PHE 618 HD1 PHE 618 1.044 3.227 -2.734 579 HD2 PHE 618 HD2 PHE 618 -1.903 4.878 -5.306 580 HE1 PHE 618 HE1 PHE 618 -0.393 1.283 -2.324 581 HE2 PHE 618 HE2 PHE 618 -3.350 2.930 -4.915 582 HZ PHE 618 HZ PHE 618 -2.596 1.122 -3.420 583 H GLU 619 HN GLU 619 0.150 9.019 -3.725 584 HA GLU 619 HA GLU 619 2.965 9.408 -4.325 585 HB2 GLU 619 HB2 GLU 619 0.571 11.127 -4.855 586 HB3 GLU 619 HB1 GLU 619 2.226 11.629 -5.184 587 HG2 GLU 619 HG2 GLU 619 0.917 9.186 -6.341 588 HG3 GLU 619 HG1 GLU 619 1.078 10.736 -7.170 589 H THR 620 HN THR 620 0.457 10.940 -2.243 590 HA THR 620 HA THR 620 2.622 12.345 -0.993 591 HB THR 620 HB THR 620 0.282 13.056 0.347 592 HG1 THR 620 HG1 THR 620 -0.995 12.073 -1.181 593 HG21 THR 620 HG21 THR 620 0.545 15.164 -0.897 594 HG22 THR 620 HG22 THR 620 1.622 14.349 -2.034 595 HG23 THR 620 HG23 THR 620 2.108 14.550 -0.349 596 H LEU 621 HN LEU 621 1.126 9.440 -0.540 597 HA LEU 621 HA LEU 621 1.315 9.236 2.285 598 HB2 LEU 621 HB2 LEU 621 1.139 7.277 0.057 599 HB3 LEU 621 HB1 LEU 621 1.644 6.718 1.640 600 HG LEU 621 HG LEU 621 -0.978 8.139 1.129 601 HD11 LEU 621 HD11 LEU 621 -0.374 5.196 1.455 602 HD12 LEU 621 HD12 LEU 621 -0.888 5.974 -0.046 603 HD13 LEU 621 HD13 LEU 621 -1.979 5.918 1.340 604 HD21 LEU 621 HD21 LEU 621 0.104 6.553 3.433 605 HD22 LEU 621 HD22 LEU 621 -1.520 7.230 3.327 606 HD23 LEU 621 HD23 LEU 621 -0.123 8.304 3.420 607 H LYS 622 HN LYS 622 2.841 8.481 3.554 608 HA LYS 622 HA LYS 622 5.573 8.778 2.594 609 HB2 LYS 622 HB2 LYS 622 4.378 8.486 5.350 610 HB3 LYS 622 HB1 LYS 622 6.105 8.561 5.069 611 HG2 LYS 622 HG2 LYS 622 4.206 10.722 4.189 612 HG3 LYS 622 HG1 LYS 622 4.960 10.702 5.778 613 HD2 LYS 622 HD2 LYS 622 6.513 10.655 3.184 614 HD3 LYS 622 HD1 LYS 622 6.110 12.133 4.061 615 HE2 LYS 622 HE2 LYS 622 7.737 9.827 5.166 616 HE3 LYS 622 HE1 LYS 622 8.393 11.342 4.559 617 HZ1 LYS 622 HZ1 LYS 622 6.574 11.091 6.918 618 HZ2 LYS 622 HZ2 LYS 622 7.214 12.519 6.318 619 HZ3 LYS 622 HZ3 LYS 622 8.229 11.373 6.968 620 HA PRO 623 HA PRO 623 6.809 4.491 2.288 621 HB2 PRO 623 HB2 PRO 623 8.987 4.641 4.124 622 HB3 PRO 623 HB1 PRO 623 9.068 4.782 2.379 623 HG2 PRO 623 HG2 PRO 623 8.996 6.889 4.459 624 HG3 PRO 623 HG1 PRO 623 9.756 6.904 2.859 625 HD2 PRO 623 HD2 PRO 623 7.535 8.300 3.354 626 HD3 PRO 623 HD1 PRO 623 7.782 7.494 1.792 627 H THR 624 HN THR 624 6.415 5.936 5.468 628 HA THR 624 HA THR 624 6.652 3.678 7.067 629 HB THR 624 HB THR 624 5.180 5.227 8.557 630 HG1 THR 624 HG1 THR 624 5.339 7.431 7.708 631 HG21 THR 624 HG21 THR 624 7.125 6.669 9.008 632 HG22 THR 624 HG22 THR 624 7.875 6.128 7.505 633 HG23 THR 624 HG23 THR 624 7.615 4.988 8.820 634 H THR 625 HN THR 625 3.952 5.225 5.512 635 HA THR 625 HA THR 625 2.116 3.260 6.501 636 HB THR 625 HB THR 625 1.678 5.413 4.449 637 HG1 THR 625 HG1 THR 625 1.927 5.530 7.233 638 HG21 THR 625 HG21 THR 625 -0.223 4.003 6.340 639 HG22 THR 625 HG22 THR 625 -0.104 3.730 4.605 640 HG23 THR 625 HG23 THR 625 -0.673 5.291 5.216 641 H LEU 626 HN LEU 626 3.424 4.267 3.351 642 HA LEU 626 HA LEU 626 2.042 2.560 1.715 643 HB2 LEU 626 HB2 LEU 626 4.828 3.627 1.470 644 HB3 LEU 626 HB1 LEU 626 4.071 2.694 0.200 645 HG LEU 626 HG LEU 626 2.940 5.244 1.296 646 HD11 LEU 626 HD11 LEU 626 5.132 5.637 0.209 647 HD12 LEU 626 HD12 LEU 626 3.819 6.282 -0.776 648 HD13 LEU 626 HD13 LEU 626 4.581 4.753 -1.213 649 HD21 LEU 626 HD21 LEU 626 1.296 3.803 0.242 650 HD22 LEU 626 HD22 LEU 626 2.340 3.626 -1.169 651 HD23 LEU 626 HD23 LEU 626 1.631 5.195 -0.789 652 H ARG 627 HN ARG 627 5.141 1.940 3.299 653 HA ARG 627 HA ARG 627 5.518 -0.623 2.176 654 HB2 ARG 627 HB2 ARG 627 7.258 0.899 3.106 655 HB3 ARG 627 HB1 ARG 627 6.622 0.494 4.700 656 HG2 ARG 627 HG2 ARG 627 8.641 -0.808 4.195 657 HG3 ARG 627 HG1 ARG 627 7.236 -1.870 4.309 658 HD2 ARG 627 HD2 ARG 627 7.118 -2.111 1.941 659 HD3 ARG 627 HD1 ARG 627 8.250 -0.784 1.684 660 HE ARG 627 HE ARG 627 9.405 -2.886 3.218 661 HH11 ARG 627 HH11 ARG 627 8.399 -2.427 -0.142 662 HH12 ARG 627 HH12 ARG 627 9.846 -3.007 -0.811 663 HH21 ARG 627 HH21 ARG 627 11.369 -3.707 2.339 664 HH22 ARG 627 HH22 ARG 627 11.581 -3.819 0.645 665 H GLU 628 HN GLU 628 3.872 0.599 5.022 666 HA GLU 628 HA GLU 628 3.769 -1.880 6.414 667 HB2 GLU 628 HB2 GLU 628 3.456 0.451 7.389 668 HB3 GLU 628 HB1 GLU 628 1.856 0.448 6.669 669 HG2 GLU 628 HG2 GLU 628 1.611 -0.128 8.942 670 HG3 GLU 628 HG1 GLU 628 1.347 -1.597 8.002 671 H LEU 629 HN LEU 629 1.748 -0.193 4.085 672 HA LEU 629 HA LEU 629 -0.515 -1.920 4.000 673 HB2 LEU 629 HB2 LEU 629 0.695 -0.658 1.536 674 HB3 LEU 629 HB1 LEU 629 -0.986 -1.009 1.861 675 HG LEU 629 HG LEU 629 0.630 1.218 3.087 676 HD11 LEU 629 HD11 LEU 629 -0.804 2.680 1.763 677 HD12 LEU 629 HD12 LEU 629 -1.567 1.268 1.031 678 HD13 LEU 629 HD13 LEU 629 0.142 1.595 0.744 679 HD21 LEU 629 HD21 LEU 629 -1.082 0.389 4.616 680 HD22 LEU 629 HD22 LEU 629 -2.303 0.601 3.351 681 HD23 LEU 629 HD23 LEU 629 -1.442 2.001 4.002 682 H GLU 630 HN GLU 630 2.468 -1.786 2.118 683 HA GLU 630 HA GLU 630 2.182 -4.007 0.491 684 HB2 GLU 630 HB2 GLU 630 3.999 -2.305 0.340 685 HB3 GLU 630 HB1 GLU 630 4.752 -3.056 1.738 686 HG2 GLU 630 HG2 GLU 630 4.646 -5.217 0.406 687 HG3 GLU 630 HG1 GLU 630 4.365 -4.206 -0.989 688 H ARG 631 HN ARG 631 3.706 -3.685 3.585 689 HA ARG 631 HA ARG 631 4.719 -6.254 3.985 690 HB2 ARG 631 HB2 ARG 631 5.180 -4.116 5.229 691 HB3 ARG 631 HB1 ARG 631 3.658 -4.355 6.050 692 HG2 ARG 631 HG2 ARG 631 4.524 -6.413 7.029 693 HG3 ARG 631 HG1 ARG 631 6.073 -6.139 6.210 694 HD2 ARG 631 HD2 ARG 631 6.096 -3.864 7.281 695 HD3 ARG 631 HD1 ARG 631 4.731 -4.398 8.251 696 HE ARG 631 HE ARG 631 6.892 -6.190 8.463 697 HH11 ARG 631 HH11 ARG 631 5.614 -3.089 9.601 698 HH12 ARG 631 HH12 ARG 631 6.691 -2.946 10.909 699 HH21 ARG 631 HH21 ARG 631 8.407 -5.983 10.296 700 HH22 ARG 631 HH22 ARG 631 8.327 -4.633 11.314 701 H TYR 632 HN TYR 632 1.575 -4.986 4.477 702 HA TYR 632 HA TYR 632 0.730 -7.308 5.942 703 HB2 TYR 632 HB2 TYR 632 -0.253 -5.320 6.609 704 HB3 TYR 632 HB1 TYR 632 -0.776 -4.877 4.974 705 HD1 TYR 632 HD1 TYR 632 -2.809 -5.659 4.138 706 HD2 TYR 632 HD2 TYR 632 -1.309 -7.250 7.767 707 HE1 TYR 632 HE1 TYR 632 -4.899 -6.875 4.443 708 HE2 TYR 632 HE2 TYR 632 -3.407 -8.478 8.120 709 HH TYR 632 HH TYR 632 -5.759 -8.302 7.386 710 H VAL 633 HN VAL 633 -0.035 -5.843 2.804 711 HA VAL 633 HA VAL 633 -1.671 -7.895 1.905 712 HB VAL 633 HB VAL 633 -1.424 -7.057 -0.354 713 HG11 VAL 633 HG11 VAL 633 -1.951 -4.692 -0.090 714 HG12 VAL 633 HG12 VAL 633 -1.342 -4.750 1.559 715 HG13 VAL 633 HG13 VAL 633 -2.775 -5.675 1.122 716 HG21 VAL 633 HG21 VAL 633 0.974 -6.789 -0.573 717 HG22 VAL 633 HG22 VAL 633 0.981 -5.525 0.631 718 HG23 VAL 633 HG23 VAL 633 0.211 -5.236 -0.931 719 H LYS 634 HN LYS 634 1.849 -7.550 1.643 720 HA LYS 634 HA LYS 634 2.142 -9.817 0.038 721 HB2 LYS 634 HB2 LYS 634 4.517 -9.475 0.267 722 HB3 LYS 634 HB1 LYS 634 3.688 -7.916 0.207 723 HG2 LYS 634 HG2 LYS 634 4.019 -7.633 2.551 724 HG3 LYS 634 HG1 LYS 634 4.840 -9.202 2.647 725 HD2 LYS 634 HD2 LYS 634 6.437 -8.417 0.913 726 HD3 LYS 634 HD1 LYS 634 5.639 -6.858 0.943 727 HE2 LYS 634 HE2 LYS 634 6.356 -6.522 3.244 728 HE3 LYS 634 HE1 LYS 634 7.103 -8.129 3.245 729 HZ1 LYS 634 HZ1 LYS 634 8.562 -7.374 1.493 730 HZ2 LYS 634 HZ2 LYS 634 8.718 -6.372 2.842 731 HZ3 LYS 634 HZ3 LYS 634 7.817 -5.858 1.487 732 H SER 635 HN SER 635 1.997 -9.396 3.499 733 HA SER 635 HA SER 635 2.923 -12.007 4.068 734 HB2 SER 635 HB2 SER 635 1.165 -10.175 5.729 735 HB3 SER 635 HB1 SER 635 1.940 -11.649 6.326 736 HG SER 635 HG SER 635 3.021 -9.157 5.732 737 H CYS 636 HN CYS 636 -0.166 -10.738 3.079 738 HA CYS 636 HA CYS 636 -1.638 -13.120 3.744 739 HB2 CYS 636 HB2 CYS 636 -2.665 -10.881 3.817 740 HB3 CYS 636 HB1 CYS 636 -2.378 -10.710 2.101 741 HG CYS 636 HG CYS 636 -4.462 -11.976 1.236 742 H LEU 637 HN LEU 637 -0.075 -11.710 0.960 743 HA LEU 637 HA LEU 637 -1.276 -13.653 -0.823 744 HB2 LEU 637 HB2 LEU 637 0.473 -11.275 -1.327 745 HB3 LEU 637 HB1 LEU 637 -0.196 -12.300 -2.587 746 HG LEU 637 HG LEU 637 -1.810 -10.638 -0.641 747 HD11 LEU 637 HD11 LEU 637 -0.600 -9.284 -2.213 748 HD12 LEU 637 HD12 LEU 637 -2.331 -9.271 -2.545 749 HD13 LEU 637 HD13 LEU 637 -1.246 -10.235 -3.549 750 HD21 LEU 637 HD21 LEU 637 -3.018 -12.636 -1.323 751 HD22 LEU 637 HD22 LEU 637 -2.656 -12.291 -3.013 752 HD23 LEU 637 HD23 LEU 637 -3.700 -11.206 -2.096 753 H GLN 638 HN GLN 638 0.987 -14.070 1.215 754 HA GLN 638 HA GLN 638 3.177 -14.945 -0.332 755 HB2 GLN 638 HB2 GLN 638 2.438 -14.914 2.438 756 HB3 GLN 638 HB1 GLN 638 3.119 -16.487 2.024 757 HG2 GLN 638 HG2 GLN 638 5.150 -15.549 1.342 758 HG3 GLN 638 HG1 GLN 638 4.469 -13.924 1.255 759 HE21 GLN 638 HE21 GLN 638 4.267 -12.760 3.061 760 HE22 GLN 638 HE22 GLN 638 5.000 -13.156 4.571 761 H LYS 639 HN LYS 639 0.361 -16.582 0.990 762 HA LYS 639 HA LYS 639 -0.995 -18.170 0.124 763 HB2 LYS 639 HB2 LYS 639 -0.937 -16.777 -1.838 764 HB3 LYS 639 HB1 LYS 639 0.516 -17.571 -2.406 765 HG2 LYS 639 HG2 LYS 639 -1.295 -18.433 -3.692 766 HG3 LYS 639 HG1 LYS 639 -0.822 -19.688 -2.547 767 HD2 LYS 639 HD2 LYS 639 -2.677 -19.115 -1.107 768 HD3 LYS 639 HD1 LYS 639 -3.135 -17.792 -2.183 769 HE2 LYS 639 HE2 LYS 639 -3.095 -20.724 -2.915 770 HE3 LYS 639 HE1 LYS 639 -4.534 -19.793 -2.518 771 HZ1 LYS 639 HZ1 LYS 639 -4.277 -20.031 -4.860 772 HZ2 LYS 639 HZ2 LYS 639 -2.754 -19.369 -4.878 773 HZ3 LYS 639 HZ3 LYS 639 -4.101 -18.403 -4.485 774 H LYS 640 HN LYS 640 -1.022 -20.239 0.570 775 HA LYS 640 HA LYS 640 1.242 -21.949 0.205 776 HB2 LYS 640 HB2 LYS 640 -1.651 -22.571 0.862 777 HB3 LYS 640 HB1 LYS 640 -0.396 -23.792 0.802 778 HG2 LYS 640 HG2 LYS 640 -0.477 -21.431 2.683 779 HG3 LYS 640 HG1 LYS 640 -0.901 -23.088 3.102 780 HD2 LYS 640 HD2 LYS 640 1.827 -22.132 2.197 781 HD3 LYS 640 HD1 LYS 640 1.366 -22.520 3.852 782 HE2 LYS 640 HE2 LYS 640 1.343 -24.485 1.552 783 HE3 LYS 640 HE1 LYS 640 2.631 -24.332 2.733 784 HZ1 LYS 640 HZ1 LYS 640 1.022 -26.137 3.225 785 HZ2 LYS 640 HZ2 LYS 640 -0.176 -24.969 3.463 786 HZ3 LYS 640 HZ3 LYS 640 1.159 -25.005 4.457 787 H GLN 641 HN GLN 641 1.784 -21.801 -1.809 788 HA GLN 641 HA GLN 641 0.985 -23.439 -3.876 789 HB2 GLN 641 HB2 GLN 641 -1.087 -22.018 -3.992 790 HB3 GLN 641 HB1 GLN 641 -0.067 -20.604 -4.193 791 HG2 GLN 641 HG2 GLN 641 0.780 -21.611 -6.316 792 HG3 GLN 641 HG1 GLN 641 -0.454 -22.862 -6.137 793 HE21 GLN 641 HE21 GLN 641 -1.523 -22.175 -8.039 794 HE22 GLN 641 HE22 GLN 641 -2.450 -20.717 -8.039 795 H ARG 642 HN ARG 642 1.927 -20.183 -3.010 796 HA ARG 642 HA ARG 642 4.126 -20.064 -4.882 797 HB2 ARG 642 HB2 ARG 642 2.899 -18.018 -4.401 798 HB3 ARG 642 HB1 ARG 642 3.136 -18.236 -2.679 799 HG2 ARG 642 HG2 ARG 642 4.579 -16.485 -3.474 800 HG3 ARG 642 HG1 ARG 642 5.552 -17.872 -2.996 801 HD2 ARG 642 HD2 ARG 642 5.818 -18.523 -5.301 802 HD3 ARG 642 HD1 ARG 642 4.745 -17.219 -5.826 803 HE ARG 642 HE ARG 642 7.166 -16.594 -4.334 804 HH11 ARG 642 HH11 ARG 642 5.489 -16.580 -7.462 805 HH12 ARG 642 HH12 ARG 642 6.455 -15.339 -8.130 806 HH21 ARG 642 HH21 ARG 642 8.508 -14.874 -5.319 807 HH22 ARG 642 HH22 ARG 642 8.164 -14.370 -6.910 808 H LYS 643 HN LYS 643 3.538 -20.214 -1.400 809 HA LYS 643 HA LYS 643 6.120 -21.527 -1.179 810 HB2 LYS 643 HB2 LYS 643 6.178 -20.813 1.192 811 HB3 LYS 643 HB1 LYS 643 6.293 -19.481 0.064 812 HG2 LYS 643 HG2 LYS 643 4.017 -18.817 0.508 813 HG3 LYS 643 HG1 LYS 643 3.746 -20.260 1.485 814 HD2 LYS 643 HD2 LYS 643 5.758 -18.103 2.138 815 HD3 LYS 643 HD1 LYS 643 4.143 -18.210 2.840 816 HE2 LYS 643 HE2 LYS 643 4.674 -20.355 3.835 817 HE3 LYS 643 HE1 LYS 643 6.250 -20.376 3.058 818 HZ1 LYS 643 HZ1 LYS 643 5.359 -18.431 5.115 819 HZ2 LYS 643 HZ2 LYS 643 6.860 -18.431 4.340 820 HZ3 LYS 643 HZ3 LYS 643 6.425 -19.718 5.332 821 HA PRO 644 HA PRO 644 3.215 -24.742 0.018 822 HB2 PRO 644 HB2 PRO 644 5.147 -26.643 -0.977 823 HB3 PRO 644 HB1 PRO 644 3.573 -26.244 -1.667 824 HG2 PRO 644 HG2 PRO 644 5.973 -25.645 -2.875 825 HG3 PRO 644 HG1 PRO 644 4.467 -24.758 -3.155 826 HD2 PRO 644 HD2 PRO 644 6.775 -24.051 -1.383 827 HD3 PRO 644 HD1 PRO 644 5.791 -23.016 -2.445 Start of MODEL 2 1 H1 LYS 290 HT1 LYS 290 -9.878 12.466 -5.451 2 H2 LYS 290 HT2 LYS 290 -11.078 12.394 -6.615 3 H3 LYS 290 HT3 LYS 290 -10.705 13.883 -5.930 4 HA LYS 290 HA LYS 290 -9.784 13.709 -8.120 5 HB2 LYS 290 HB2 LYS 290 -7.689 13.322 -5.976 6 HB3 LYS 290 HB1 LYS 290 -7.329 13.809 -7.613 7 HG2 LYS 290 HG2 LYS 290 -8.595 15.868 -7.281 8 HG3 LYS 290 HG1 LYS 290 -8.955 15.373 -5.622 9 HD2 LYS 290 HD2 LYS 290 -6.586 15.303 -5.103 10 HD3 LYS 290 HD1 LYS 290 -6.193 15.724 -6.769 11 HE2 LYS 290 HE2 LYS 290 -7.254 17.873 -6.502 12 HE3 LYS 290 HE1 LYS 290 -7.734 17.467 -4.850 13 HZ1 LYS 290 HZ1 LYS 290 -5.728 18.824 -4.860 14 HZ2 LYS 290 HZ2 LYS 290 -4.958 17.737 -5.872 15 HZ3 LYS 290 HZ3 LYS 290 -5.346 17.272 -4.316 16 H VAL 291 HN VAL 291 -7.769 12.641 -9.199 17 HA VAL 291 HA VAL 291 -7.703 9.787 -8.677 18 HB VAL 291 HB VAL 291 -7.491 9.365 -11.130 19 HG11 VAL 291 HG11 VAL 291 -10.058 10.737 -10.355 20 HG12 VAL 291 HG12 VAL 291 -9.651 9.040 -10.097 21 HG13 VAL 291 HG13 VAL 291 -9.852 9.658 -11.735 22 HG21 VAL 291 HG21 VAL 291 -6.724 11.591 -11.821 23 HG22 VAL 291 HG22 VAL 291 -8.321 12.250 -11.454 24 HG23 VAL 291 HG23 VAL 291 -8.133 11.078 -12.751 25 H ALA 292 HN ALA 292 -5.747 8.933 -10.096 26 HA ALA 292 HA ALA 292 -3.504 10.695 -10.217 27 HB1 ALA 292 HB1 ALA 292 -3.501 10.111 -7.814 28 HB2 ALA 292 HB2 ALA 292 -2.194 9.247 -8.624 29 HB3 ALA 292 HB3 ALA 292 -3.688 8.404 -8.219 30 HA PRO 293 HA PRO 293 -2.366 7.674 -13.384 31 HB2 PRO 293 HB2 PRO 293 0.002 6.874 -11.724 32 HB3 PRO 293 HB1 PRO 293 -0.061 7.282 -13.442 33 HG2 PRO 293 HG2 PRO 293 0.895 9.029 -11.687 34 HG3 PRO 293 HG1 PRO 293 -0.120 9.572 -13.031 35 HD2 PRO 293 HD2 PRO 293 -0.781 9.292 -10.148 36 HD3 PRO 293 HD1 PRO 293 -1.386 10.466 -11.333 37 H LEU 294 HN LEU 294 -1.607 6.576 -10.139 38 HA LEU 294 HA LEU 294 -2.696 3.936 -10.682 39 HB2 LEU 294 HB2 LEU 294 -0.489 4.274 -9.511 40 HB3 LEU 294 HB1 LEU 294 -1.364 5.050 -8.210 41 HG LEU 294 HG LEU 294 -2.558 2.930 -7.782 42 HD11 LEU 294 HD11 LEU 294 -0.675 1.836 -9.869 43 HD12 LEU 294 HD12 LEU 294 -2.430 1.958 -10.017 44 HD13 LEU 294 HD13 LEU 294 -1.717 0.882 -8.817 45 HD21 LEU 294 HD21 LEU 294 -0.554 3.509 -6.545 46 HD22 LEU 294 HD22 LEU 294 0.444 2.752 -7.790 47 HD23 LEU 294 HD23 LEU 294 -0.649 1.770 -6.816 48 H LYS 295 HN LYS 295 -4.749 3.471 -9.937 49 HA LYS 295 HA LYS 295 -6.213 5.678 -8.907 50 HB2 LYS 295 HB2 LYS 295 -7.051 2.925 -9.777 51 HB3 LYS 295 HB1 LYS 295 -8.172 3.985 -8.944 52 HG2 LYS 295 HG2 LYS 295 -8.505 4.162 -11.350 53 HG3 LYS 295 HG1 LYS 295 -7.899 5.676 -10.704 54 HD2 LYS 295 HD2 LYS 295 -5.630 5.079 -11.511 55 HD3 LYS 295 HD1 LYS 295 -6.284 3.590 -12.187 56 HE2 LYS 295 HE2 LYS 295 -7.752 4.896 -13.653 57 HE3 LYS 295 HE1 LYS 295 -7.120 6.386 -12.958 58 HZ1 LYS 295 HZ1 LYS 295 -4.924 5.812 -13.850 59 HZ2 LYS 295 HZ2 LYS 295 -6.071 5.902 -15.056 60 HZ3 LYS 295 HZ3 LYS 295 -5.548 4.403 -14.529 61 H ILE 296 HN ILE 296 -7.273 5.918 -7.028 62 HA ILE 296 HA ILE 296 -5.768 4.638 -4.876 63 HB ILE 296 HB ILE 296 -6.131 6.693 -3.606 64 HG12 ILE 296 HG12 ILE 296 -7.573 7.672 -6.097 65 HG13 ILE 296 HG11 ILE 296 -8.323 7.330 -4.544 66 HG21 ILE 296 HG21 ILE 296 -5.072 7.154 -6.404 67 HG22 ILE 296 HG22 ILE 296 -4.156 6.520 -5.037 68 HG23 ILE 296 HG23 ILE 296 -4.744 8.183 -5.010 69 HD11 ILE 296 HD11 ILE 296 -8.032 9.718 -4.885 70 HD12 ILE 296 HD12 ILE 296 -6.294 9.489 -5.088 71 HD13 ILE 296 HD13 ILE 296 -7.053 9.154 -3.531 72 H LYS 297 HN LYS 297 -8.939 4.529 -6.055 73 HA LYS 297 HA LYS 297 -10.051 4.276 -3.326 74 HB2 LYS 297 HB2 LYS 297 -11.401 5.157 -5.858 75 HB3 LYS 297 HB1 LYS 297 -12.288 4.657 -4.435 76 HG2 LYS 297 HG2 LYS 297 -11.296 6.503 -3.179 77 HG3 LYS 297 HG1 LYS 297 -10.419 7.019 -4.635 78 HD2 LYS 297 HD2 LYS 297 -12.532 7.334 -5.808 79 HD3 LYS 297 HD1 LYS 297 -13.421 6.754 -4.405 80 HE2 LYS 297 HE2 LYS 297 -11.758 9.270 -4.572 81 HE3 LYS 297 HE1 LYS 297 -13.517 9.175 -4.544 82 HZ1 LYS 297 HZ1 LYS 297 -11.596 8.647 -2.374 83 HZ2 LYS 297 HZ2 LYS 297 -13.159 7.999 -2.300 84 HZ3 LYS 297 HZ3 LYS 297 -12.935 9.661 -2.354 85 H LEU 298 HN LEU 298 -11.571 2.701 -2.893 86 HA LEU 298 HA LEU 298 -11.563 0.298 -4.507 87 HB2 LEU 298 HB2 LEU 298 -13.071 1.108 -2.044 88 HB3 LEU 298 HB1 LEU 298 -13.570 -0.331 -2.920 89 HG LEU 298 HG LEU 298 -11.081 0.159 -1.278 90 HD11 LEU 298 HD11 LEU 298 -13.023 -0.504 -0.093 91 HD12 LEU 298 HD12 LEU 298 -11.788 -1.758 -0.081 92 HD13 LEU 298 HD13 LEU 298 -13.202 -1.917 -1.131 93 HD21 LEU 298 HD21 LEU 298 -11.599 -2.123 -3.187 94 HD22 LEU 298 HD22 LEU 298 -10.304 -2.060 -1.993 95 HD23 LEU 298 HD23 LEU 298 -10.309 -0.925 -3.339 96 H GLY 299 HN GLY 299 -14.241 2.358 -3.394 97 HA2 GLY 299 HA2 GLY 299 -16.214 2.989 -4.358 98 HA3 GLY 299 HA1 GLY 299 -15.326 3.003 -5.875 99 H GLY 300 HN GLY 300 -16.574 1.986 -7.269 100 HA2 GLY 300 HA2 GLY 300 -17.442 -0.747 -6.578 101 HA3 GLY 300 HA1 GLY 300 -18.203 0.264 -7.807 102 H PHE 301 HN PHE 301 -15.060 0.940 -7.953 103 HA PHE 301 HA PHE 301 -13.774 -1.090 -9.299 104 HB2 PHE 301 HB2 PHE 301 -13.840 -0.233 -11.652 105 HB3 PHE 301 HB1 PHE 301 -15.411 -0.810 -11.131 106 HD1 PHE 301 HD1 PHE 301 -17.266 0.732 -10.862 107 HD2 PHE 301 HD2 PHE 301 -13.434 2.137 -12.063 108 HE1 PHE 301 HE1 PHE 301 -18.270 2.863 -11.563 109 HE2 PHE 301 HE2 PHE 301 -14.431 4.267 -12.758 110 HZ PHE 301 HZ PHE 301 -16.853 4.637 -12.510 111 H ALA 557 HN ALA 557 31.080 -2.242 -0.586 112 HA ALA 557 HA ALA 557 33.358 -1.321 0.906 113 HB1 ALA 557 HB1 ALA 557 33.676 -0.244 -1.272 114 HB2 ALA 557 HB2 ALA 557 33.252 0.939 -0.033 115 HB3 ALA 557 HB3 ALA 557 32.038 0.398 -1.190 116 H SER 558 HN SER 558 32.652 -0.751 2.809 117 HA SER 558 HA SER 558 29.907 -0.587 3.471 118 HB2 SER 558 HB2 SER 558 32.297 0.268 5.114 119 HB3 SER 558 HB1 SER 558 30.712 -0.226 5.707 120 HG SER 558 HG SER 558 31.166 -2.287 4.674 121 H ALA 559 HN ALA 559 28.773 1.169 2.763 122 HA ALA 559 HA ALA 559 29.966 3.777 3.310 123 HB1 ALA 559 HB1 ALA 559 27.895 3.117 1.214 124 HB2 ALA 559 HB2 ALA 559 29.605 3.408 0.893 125 HB3 ALA 559 HB3 ALA 559 28.592 4.708 1.520 126 H SER 560 HN SER 560 29.217 3.596 5.424 127 HA SER 560 HA SER 560 26.349 4.049 5.635 128 HB2 SER 560 HB2 SER 560 28.091 2.622 7.647 129 HB3 SER 560 HB1 SER 560 26.349 2.880 7.764 130 HG SER 560 HG SER 560 27.775 1.321 5.909 131 H TYR 561 HN TYR 561 26.457 6.221 5.696 132 HA TYR 561 HA TYR 561 28.353 7.449 7.527 133 HB2 TYR 561 HB2 TYR 561 27.631 9.615 6.544 134 HB3 TYR 561 HB1 TYR 561 28.269 8.482 5.360 135 HD1 TYR 561 HD1 TYR 561 26.946 7.730 3.584 136 HD2 TYR 561 HD2 TYR 561 25.182 10.028 6.662 137 HE1 TYR 561 HE1 TYR 561 24.906 8.020 2.203 138 HE2 TYR 561 HE2 TYR 561 23.154 10.317 5.322 139 HH TYR 561 HH TYR 561 22.453 8.485 2.719 140 H ASP 562 HN ASP 562 25.284 6.355 7.544 141 HA ASP 562 HA ASP 562 24.630 7.388 10.115 142 HB2 ASP 562 HB2 ASP 562 23.925 9.212 8.334 143 HB3 ASP 562 HB1 ASP 562 22.686 8.053 7.878 144 H SER 563 HN SER 563 22.044 6.505 10.219 145 HA SER 563 HA SER 563 22.350 3.752 9.445 146 HB2 SER 563 HB2 SER 563 20.051 3.587 10.474 147 HB3 SER 563 HB1 SER 563 21.389 3.957 11.573 148 HG SER 563 HG SER 563 19.902 6.022 10.349 149 H GLU 564 HN GLU 564 21.931 3.243 7.496 150 HA GLU 564 HA GLU 564 19.774 4.639 6.104 151 HB2 GLU 564 HB2 GLU 564 22.065 5.455 5.464 152 HB3 GLU 564 HB1 GLU 564 22.397 3.840 4.857 153 HG2 GLU 564 HG2 GLU 564 20.771 4.061 3.149 154 HG3 GLU 564 HG1 GLU 564 20.173 5.574 3.839 155 H GLU 565 HN GLU 565 19.267 3.432 4.016 156 HA GLU 565 HA GLU 565 18.149 1.823 3.104 157 HB2 GLU 565 HB2 GLU 565 20.342 0.628 2.921 158 HB3 GLU 565 HB1 GLU 565 19.987 -0.176 4.448 159 HG2 GLU 565 HG2 GLU 565 17.968 -1.168 3.452 160 HG3 GLU 565 HG1 GLU 565 18.356 -0.399 1.918 161 H GLU 566 HN GLU 566 16.458 2.462 4.188 162 HA GLU 566 HA GLU 566 15.503 0.581 6.216 163 HB2 GLU 566 HB2 GLU 566 15.809 2.882 7.108 164 HB3 GLU 566 HB1 GLU 566 14.773 3.501 5.833 165 HG2 GLU 566 HG2 GLU 566 13.594 3.308 7.965 166 HG3 GLU 566 HG1 GLU 566 12.889 2.279 6.720 167 H GLU 567 HN GLU 567 13.913 -0.623 5.417 168 HA GLU 567 HA GLU 567 13.080 -0.385 2.758 169 HB2 GLU 567 HB2 GLU 567 13.060 -2.488 4.190 170 HB3 GLU 567 HB1 GLU 567 11.560 -1.882 4.889 171 HG2 GLU 567 HG2 GLU 567 10.635 -1.771 2.579 172 HG3 GLU 567 HG1 GLU 567 12.080 -2.606 2.028 173 H GLU 568 HN GLU 568 11.649 0.627 5.690 174 HA GLU 568 HA GLU 568 9.339 1.788 4.320 175 HB2 GLU 568 HB2 GLU 568 8.603 2.398 6.601 176 HB3 GLU 568 HB1 GLU 568 8.765 0.661 6.351 177 HG2 GLU 568 HG2 GLU 568 10.915 0.761 7.557 178 HG3 GLU 568 HG1 GLU 568 10.659 2.496 7.776 179 H GLY 569 HN GLY 569 12.109 2.753 4.060 180 HA2 GLY 569 HA2 GLY 569 11.492 5.583 4.567 181 HA3 GLY 569 HA1 GLY 569 13.096 4.934 4.908 182 H LEU 570 HN LEU 570 11.861 3.291 2.353 183 HA LEU 570 HA LEU 570 13.564 4.741 0.512 184 HB2 LEU 570 HB2 LEU 570 12.157 2.081 0.274 185 HB3 LEU 570 HB1 LEU 570 13.189 2.771 -0.960 186 HG LEU 570 HG LEU 570 14.099 1.962 1.804 187 HD11 LEU 570 HD11 LEU 570 14.472 0.600 -0.854 188 HD12 LEU 570 HD12 LEU 570 13.469 0.032 0.478 189 HD13 LEU 570 HD13 LEU 570 15.221 0.116 0.668 190 HD21 LEU 570 HD21 LEU 570 16.354 2.265 0.890 191 HD22 LEU 570 HD22 LEU 570 15.444 3.771 0.878 192 HD23 LEU 570 HD23 LEU 570 15.663 2.860 -0.618 193 HA PRO 571 HA PRO 571 9.977 6.593 -1.439 194 HB2 PRO 571 HB2 PRO 571 11.663 6.658 -3.863 195 HB3 PRO 571 HB1 PRO 571 10.869 7.989 -3.016 196 HG2 PRO 571 HG2 PRO 571 13.536 7.650 -2.898 197 HG3 PRO 571 HG1 PRO 571 12.610 8.253 -1.516 198 HD2 PRO 571 HD2 PRO 571 13.725 5.520 -2.004 199 HD3 PRO 571 HD1 PRO 571 13.616 6.460 -0.500 200 H MET 572 HN MET 572 8.383 5.553 -2.313 201 HA MET 572 HA MET 572 8.758 2.942 -3.547 202 HB2 MET 572 HB2 MET 572 6.268 4.488 -2.786 203 HB3 MET 572 HB1 MET 572 6.283 2.848 -3.409 204 HG2 MET 572 HG2 MET 572 7.710 3.611 -0.879 205 HG3 MET 572 HG1 MET 572 6.008 3.161 -0.894 206 HE1 MET 572 HE1 MET 572 5.111 0.776 -1.406 207 HE2 MET 572 HE2 MET 572 6.100 -0.567 -1.980 208 HE3 MET 572 HE3 MET 572 5.828 0.830 -3.018 209 H SER 573 HN SER 573 8.703 2.663 -5.739 210 HA SER 573 HA SER 573 8.141 5.013 -7.354 211 HB2 SER 573 HB2 SER 573 8.858 3.497 -9.255 212 HB3 SER 573 HB1 SER 573 10.094 3.741 -8.020 213 HG SER 573 HG SER 573 9.597 1.765 -7.162 214 H TYR 574 HN TYR 574 6.720 4.658 -9.383 215 HA TYR 574 HA TYR 574 4.171 3.982 -8.460 216 HB2 TYR 574 HB2 TYR 574 5.166 4.487 -11.252 217 HB3 TYR 574 HB1 TYR 574 3.512 4.005 -10.940 218 HD1 TYR 574 HD1 TYR 574 1.970 5.485 -9.775 219 HD2 TYR 574 HD2 TYR 574 5.934 6.739 -10.668 220 HE1 TYR 574 HE1 TYR 574 1.326 7.819 -9.373 221 HE2 TYR 574 HE2 TYR 574 5.297 9.064 -10.269 222 HH TYR 574 HH TYR 574 2.539 9.933 -8.690 223 H ASP 575 HN ASP 575 6.566 2.072 -9.997 224 HA ASP 575 HA ASP 575 4.854 -0.097 -10.703 225 HB2 ASP 575 HB2 ASP 575 7.840 -0.013 -10.253 226 HB3 ASP 575 HB1 ASP 575 6.981 -1.455 -10.781 227 H GLU 576 HN GLU 576 6.874 0.550 -7.880 228 HA GLU 576 HA GLU 576 6.343 -1.827 -6.549 229 HB2 GLU 576 HB2 GLU 576 7.107 0.875 -5.455 230 HB3 GLU 576 HB1 GLU 576 7.241 -0.653 -4.581 231 HG2 GLU 576 HG2 GLU 576 8.735 -1.510 -6.303 232 HG3 GLU 576 HG1 GLU 576 8.594 -0.006 -7.168 233 H LYS 577 HN LYS 577 4.880 1.360 -6.328 234 HA LYS 577 HA LYS 577 2.863 0.766 -4.469 235 HB2 LYS 577 HB2 LYS 577 3.002 2.730 -6.677 236 HB3 LYS 577 HB1 LYS 577 1.769 2.809 -5.414 237 HG2 LYS 577 HG2 LYS 577 3.626 2.975 -3.717 238 HG3 LYS 577 HG1 LYS 577 4.761 3.121 -5.053 239 HD2 LYS 577 HD2 LYS 577 2.498 5.032 -4.452 240 HD3 LYS 577 HD1 LYS 577 4.181 5.284 -4.029 241 HE2 LYS 577 HE2 LYS 577 4.765 5.197 -6.425 242 HE3 LYS 577 HE1 LYS 577 3.054 5.048 -6.810 243 HZ1 LYS 577 HZ1 LYS 577 2.635 7.280 -6.079 244 HZ2 LYS 577 HZ2 LYS 577 4.123 7.390 -6.872 245 HZ3 LYS 577 HZ3 LYS 577 4.067 7.314 -5.217 246 H ARG 578 HN ARG 578 2.952 0.620 -7.977 247 HA ARG 578 HA ARG 578 0.356 -0.102 -8.593 248 HB2 ARG 578 HB2 ARG 578 2.047 0.260 -10.341 249 HB3 ARG 578 HB1 ARG 578 2.917 -1.169 -9.817 250 HG2 ARG 578 HG2 ARG 578 1.713 -1.658 -11.848 251 HG3 ARG 578 HG1 ARG 578 0.997 -2.562 -10.519 252 HD2 ARG 578 HD2 ARG 578 -0.759 -0.847 -10.335 253 HD3 ARG 578 HD1 ARG 578 -0.046 0.007 -11.697 254 HE ARG 578 HE ARG 578 -0.655 -2.707 -12.333 255 HH11 ARG 578 HH11 ARG 578 -2.076 0.532 -12.085 256 HH12 ARG 578 HH12 ARG 578 -3.384 0.186 -13.091 257 HH21 ARG 578 HH21 ARG 578 -2.467 -3.195 -13.685 258 HH22 ARG 578 HH22 ARG 578 -3.623 -1.989 -14.026 259 H GLN 579 HN GLN 579 3.061 -2.284 -7.698 260 HA GLN 579 HA GLN 579 1.560 -4.626 -7.793 261 HB2 GLN 579 HB2 GLN 579 3.994 -4.567 -7.902 262 HB3 GLN 579 HB1 GLN 579 4.068 -3.905 -6.278 263 HG2 GLN 579 HG2 GLN 579 4.630 -6.237 -6.330 264 HG3 GLN 579 HG1 GLN 579 3.167 -5.895 -5.384 265 HE21 GLN 579 HE21 GLN 579 1.245 -6.738 -6.021 266 HE22 GLN 579 HE22 GLN 579 1.005 -7.822 -7.332 267 H LEU 580 HN LEU 580 2.278 -2.377 -5.243 268 HA LEU 580 HA LEU 580 1.187 -3.653 -3.049 269 HB2 LEU 580 HB2 LEU 580 2.582 -1.543 -3.242 270 HB3 LEU 580 HB1 LEU 580 1.130 -0.707 -3.702 271 HG LEU 580 HG LEU 580 1.590 -2.001 -1.012 272 HD11 LEU 580 HD11 LEU 580 1.847 0.873 -1.895 273 HD12 LEU 580 HD12 LEU 580 3.153 -0.199 -1.446 274 HD13 LEU 580 HD13 LEU 580 1.968 0.294 -0.230 275 HD21 LEU 580 HD21 LEU 580 -0.322 -0.614 -0.294 276 HD22 LEU 580 HD22 LEU 580 -0.787 -1.756 -1.551 277 HD23 LEU 580 HD23 LEU 580 -0.561 -0.065 -1.954 278 H SER 581 HN SER 581 -0.393 -1.490 -5.464 279 HA SER 581 HA SER 581 -2.922 -1.694 -4.187 280 HB2 SER 581 HB2 SER 581 -3.815 -0.586 -6.236 281 HB3 SER 581 HB1 SER 581 -2.473 0.283 -5.490 282 HG SER 581 HG SER 581 -1.374 -1.324 -7.256 283 H LEU 582 HN LEU 582 -1.297 -3.541 -6.623 284 HA LEU 582 HA LEU 582 -3.553 -4.932 -7.641 285 HB2 LEU 582 HB2 LEU 582 -0.697 -5.885 -7.430 286 HB3 LEU 582 HB1 LEU 582 -1.938 -6.589 -8.443 287 HG LEU 582 HG LEU 582 -0.723 -3.859 -8.736 288 HD11 LEU 582 HD11 LEU 582 0.220 -4.768 -10.822 289 HD12 LEU 582 HD12 LEU 582 -0.505 -6.332 -10.458 290 HD13 LEU 582 HD13 LEU 582 0.770 -5.694 -9.420 291 HD21 LEU 582 HD21 LEU 582 -2.002 -3.720 -10.833 292 HD22 LEU 582 HD22 LEU 582 -3.043 -3.808 -9.415 293 HD23 LEU 582 HD23 LEU 582 -2.812 -5.235 -10.429 294 H ASP 583 HN ASP 583 -1.233 -5.671 -5.079 295 HA ASP 583 HA ASP 583 -2.588 -8.019 -4.334 296 HB2 ASP 583 HB2 ASP 583 -0.597 -6.345 -2.823 297 HB3 ASP 583 HB1 ASP 583 -1.318 -7.800 -2.143 298 H ILE 584 HN ILE 584 -2.977 -4.683 -3.327 299 HA ILE 584 HA ILE 584 -4.811 -5.181 -1.286 300 HB ILE 584 HB ILE 584 -4.385 -2.836 -3.118 301 HG12 ILE 584 HG12 ILE 584 -3.916 -3.367 -0.201 302 HG13 ILE 584 HG11 ILE 584 -2.735 -2.999 -1.457 303 HG21 ILE 584 HG21 ILE 584 -6.475 -2.896 -0.973 304 HG22 ILE 584 HG22 ILE 584 -6.787 -2.812 -2.714 305 HG23 ILE 584 HG23 ILE 584 -5.972 -1.476 -1.885 306 HD11 ILE 584 HD11 ILE 584 -4.792 -1.183 -0.309 307 HD12 ILE 584 HD12 ILE 584 -3.664 -0.720 -1.595 308 HD13 ILE 584 HD13 ILE 584 -3.059 -1.109 0.032 309 H ASN 585 HN ASN 585 -5.319 -4.952 -4.769 310 HA ASN 585 HA ASN 585 -8.176 -5.174 -4.558 311 HB2 ASN 585 HB2 ASN 585 -7.073 -4.144 -6.543 312 HB3 ASN 585 HB1 ASN 585 -6.425 -5.721 -6.978 313 HD21 ASN 585 HD21 ASN 585 -9.255 -3.716 -6.879 314 HD22 ASN 585 HD22 ASN 585 -10.259 -4.749 -7.821 315 H ARG 586 HN ARG 586 -5.548 -7.357 -4.670 316 HA ARG 586 HA ARG 586 -6.982 -9.747 -5.278 317 HB2 ARG 586 HB2 ARG 586 -4.339 -9.279 -3.912 318 HB3 ARG 586 HB1 ARG 586 -4.969 -10.888 -4.210 319 HG2 ARG 586 HG2 ARG 586 -4.899 -10.473 -6.617 320 HG3 ARG 586 HG1 ARG 586 -4.374 -8.816 -6.321 321 HD2 ARG 586 HD2 ARG 586 -2.307 -9.650 -5.297 322 HD3 ARG 586 HD1 ARG 586 -2.845 -11.304 -5.562 323 HE ARG 586 HE ARG 586 -2.929 -10.374 -8.020 324 HH11 ARG 586 HH11 ARG 586 -0.338 -9.842 -5.602 325 HH12 ARG 586 HH12 ARG 586 0.926 -9.981 -6.696 326 HH21 ARG 586 HH21 ARG 586 -1.135 -10.464 -9.560 327 HH22 ARG 586 HH22 ARG 586 0.470 -10.297 -9.028 328 H LEU 587 HN LEU 587 -6.739 -7.815 -2.461 329 HA LEU 587 HA LEU 587 -7.409 -9.938 -0.632 330 HB2 LEU 587 HB2 LEU 587 -7.250 -6.970 -0.242 331 HB3 LEU 587 HB1 LEU 587 -7.551 -8.130 1.028 332 HG LEU 587 HG LEU 587 -5.024 -7.707 -0.539 333 HD11 LEU 587 HD11 LEU 587 -4.099 -7.326 1.708 334 HD12 LEU 587 HD12 LEU 587 -5.728 -7.464 2.367 335 HD13 LEU 587 HD13 LEU 587 -5.338 -6.156 1.252 336 HD21 LEU 587 HD21 LEU 587 -4.069 -9.522 0.784 337 HD22 LEU 587 HD22 LEU 587 -5.321 -10.076 -0.319 338 HD23 LEU 587 HD23 LEU 587 -5.675 -9.912 1.411 339 HA PRO 588 HA PRO 588 -11.831 -9.185 -0.842 340 HB2 PRO 588 HB2 PRO 588 -12.489 -10.566 1.425 341 HB3 PRO 588 HB1 PRO 588 -12.181 -11.362 -0.118 342 HG2 PRO 588 HG2 PRO 588 -10.420 -11.095 2.260 343 HG3 PRO 588 HG1 PRO 588 -10.590 -12.448 1.131 344 HD2 PRO 588 HD2 PRO 588 -8.523 -10.649 1.062 345 HD3 PRO 588 HD1 PRO 588 -9.087 -11.564 -0.351 346 H GLY 589 HN GLY 589 -13.448 -8.220 0.675 347 HA2 GLY 589 HA2 GLY 589 -12.610 -5.794 1.689 348 HA3 GLY 589 HA1 GLY 589 -14.136 -6.550 2.078 349 H GLU 590 HN GLU 590 -13.066 -8.799 3.415 350 HA GLU 590 HA GLU 590 -12.895 -8.181 6.090 351 HB2 GLU 590 HB2 GLU 590 -11.264 -10.346 4.792 352 HB3 GLU 590 HB1 GLU 590 -11.831 -10.293 6.447 353 HG2 GLU 590 HG2 GLU 590 -14.117 -10.573 5.675 354 HG3 GLU 590 HG1 GLU 590 -13.510 -10.530 4.004 355 H LYS 591 HN LYS 591 -10.263 -8.577 3.791 356 HA LYS 591 HA LYS 591 -8.254 -8.061 5.817 357 HB2 LYS 591 HB2 LYS 591 -7.870 -8.602 2.878 358 HB3 LYS 591 HB1 LYS 591 -6.686 -8.806 4.162 359 HG2 LYS 591 HG2 LYS 591 -9.195 -10.437 3.778 360 HG3 LYS 591 HG1 LYS 591 -7.555 -10.970 3.391 361 HD2 LYS 591 HD2 LYS 591 -6.986 -10.804 5.787 362 HD3 LYS 591 HD1 LYS 591 -8.631 -10.260 6.124 363 HE2 LYS 591 HE2 LYS 591 -9.481 -12.398 5.187 364 HE3 LYS 591 HE1 LYS 591 -7.816 -12.940 4.996 365 HZ1 LYS 591 HZ1 LYS 591 -7.549 -12.702 7.419 366 HZ2 LYS 591 HZ2 LYS 591 -8.743 -13.807 7.022 367 HZ3 LYS 591 HZ3 LYS 591 -9.174 -12.274 7.547 368 H LEU 592 HN LEU 592 -9.803 -6.591 3.071 369 HA LEU 592 HA LEU 592 -8.080 -4.479 2.617 370 HB2 LEU 592 HB2 LEU 592 -10.917 -5.006 2.083 371 HB3 LEU 592 HB1 LEU 592 -10.386 -3.341 1.951 372 HG LEU 592 HG LEU 592 -8.976 -5.557 0.489 373 HD11 LEU 592 HD11 LEU 592 -11.250 -3.805 -0.488 374 HD12 LEU 592 HD12 LEU 592 -11.354 -5.543 -0.207 375 HD13 LEU 592 HD13 LEU 592 -10.301 -4.917 -1.472 376 HD21 LEU 592 HD21 LEU 592 -9.156 -2.588 0.145 377 HD22 LEU 592 HD22 LEU 592 -8.304 -3.709 -0.914 378 HD23 LEU 592 HD23 LEU 592 -7.775 -3.505 0.761 379 H GLY 593 HN GLY 593 -10.741 -4.806 4.864 380 HA2 GLY 593 HA2 GLY 593 -10.952 -2.252 5.864 381 HA3 GLY 593 HA1 GLY 593 -11.197 -3.709 6.816 382 H ARG 594 HN ARG 594 -8.435 -4.631 6.529 383 HA ARG 594 HA ARG 594 -7.407 -3.172 8.716 384 HB2 ARG 594 HB2 ARG 594 -7.109 -5.598 8.577 385 HB3 ARG 594 HB1 ARG 594 -6.147 -5.409 7.124 386 HG2 ARG 594 HG2 ARG 594 -4.773 -5.791 9.112 387 HG3 ARG 594 HG1 ARG 594 -4.433 -4.233 8.356 388 HD2 ARG 594 HD2 ARG 594 -5.734 -3.075 9.959 389 HD3 ARG 594 HD1 ARG 594 -6.356 -4.578 10.626 390 HE ARG 594 HE ARG 594 -3.552 -4.528 10.845 391 HH11 ARG 594 HH11 ARG 594 -6.387 -2.907 12.209 392 HH12 ARG 594 HH12 ARG 594 -5.661 -2.575 13.707 393 HH21 ARG 594 HH21 ARG 594 -2.550 -4.096 12.866 394 HH22 ARG 594 HH22 ARG 594 -3.402 -3.281 14.110 395 H VAL 595 HN VAL 595 -6.495 -3.567 5.295 396 HA VAL 595 HA VAL 595 -4.255 -1.876 5.604 397 HB VAL 595 HB VAL 595 -4.351 -3.432 3.666 398 HG11 VAL 595 HG11 VAL 595 -5.644 -2.976 1.702 399 HG12 VAL 595 HG12 VAL 595 -6.433 -1.643 2.548 400 HG13 VAL 595 HG13 VAL 595 -6.646 -3.295 3.123 401 HG21 VAL 595 HG21 VAL 595 -2.833 -1.561 3.544 402 HG22 VAL 595 HG22 VAL 595 -4.097 -0.562 2.828 403 HG23 VAL 595 HG23 VAL 595 -3.471 -1.964 1.952 404 H VAL 596 HN VAL 596 -7.596 -1.214 4.876 405 HA VAL 596 HA VAL 596 -7.390 1.515 4.260 406 HB VAL 596 HB VAL 596 -9.590 0.255 5.960 407 HG11 VAL 596 HG11 VAL 596 -9.634 2.685 4.204 408 HG12 VAL 596 HG12 VAL 596 -9.636 2.676 5.974 409 HG13 VAL 596 HG13 VAL 596 -11.014 2.022 5.073 410 HG21 VAL 596 HG21 VAL 596 -9.372 -0.983 3.871 411 HG22 VAL 596 HG22 VAL 596 -9.504 0.522 2.960 412 HG23 VAL 596 HG23 VAL 596 -10.868 -0.055 3.912 413 H HIS 597 HN HIS 597 -7.466 -0.228 7.368 414 HA HIS 597 HA HIS 597 -7.654 2.060 9.027 415 HB2 HIS 597 HB2 HIS 597 -8.448 -0.294 9.527 416 HB3 HIS 597 HB1 HIS 597 -6.769 -0.739 9.733 417 HD1 HIS 597 HD1 HIS 597 -9.444 1.433 11.331 418 HD2 HIS 597 HD2 HIS 597 -5.728 -0.223 12.194 419 HE1 HIS 597 HE1 HIS 597 -9.114 1.718 13.798 420 H ILE 598 HN ILE 598 -5.043 0.085 7.757 421 HA ILE 598 HA ILE 598 -2.909 1.032 9.300 422 HB ILE 598 HB ILE 598 -2.900 0.084 6.406 423 HG12 ILE 598 HG12 ILE 598 -2.225 -1.393 8.963 424 HG13 ILE 598 HG11 ILE 598 -3.720 -1.572 8.058 425 HG21 ILE 598 HG21 ILE 598 -0.892 1.386 6.875 426 HG22 ILE 598 HG22 ILE 598 -0.498 -0.328 6.712 427 HG23 ILE 598 HG23 ILE 598 -0.577 0.410 8.308 428 HD11 ILE 598 HD11 ILE 598 -0.957 -2.291 7.081 429 HD12 ILE 598 HD12 ILE 598 -2.449 -2.457 6.156 430 HD13 ILE 598 HD13 ILE 598 -2.215 -3.411 7.614 431 H ILE 599 HN ILE 599 -4.416 2.293 6.394 432 HA ILE 599 HA ILE 599 -2.678 4.476 6.012 433 HB ILE 599 HB ILE 599 -5.565 4.055 5.184 434 HG12 ILE 599 HG12 ILE 599 -3.116 3.760 3.475 435 HG13 ILE 599 HG11 ILE 599 -3.672 2.440 4.494 436 HG21 ILE 599 HG21 ILE 599 -5.117 5.797 3.481 437 HG22 ILE 599 HG22 ILE 599 -3.504 6.034 4.164 438 HG23 ILE 599 HG23 ILE 599 -4.920 6.435 5.115 439 HD11 ILE 599 HD11 ILE 599 -4.439 2.201 2.239 440 HD12 ILE 599 HD12 ILE 599 -5.283 3.766 2.326 441 HD13 ILE 599 HD13 ILE 599 -5.756 2.409 3.374 442 H GLN 600 HN GLN 600 -5.768 4.060 7.696 443 HA GLN 600 HA GLN 600 -6.314 6.666 8.458 444 HB2 GLN 600 HB2 GLN 600 -6.925 4.178 10.021 445 HB3 GLN 600 HB1 GLN 600 -7.703 5.751 10.204 446 HG2 GLN 600 HG2 GLN 600 -8.291 5.597 7.821 447 HG3 GLN 600 HG1 GLN 600 -7.792 3.915 7.859 448 HE21 GLN 600 HE21 GLN 600 -10.114 6.190 8.824 449 HE22 GLN 600 HE22 GLN 600 -11.279 5.101 9.477 450 H SER 601 HN SER 601 -4.048 4.480 9.797 451 HA SER 601 HA SER 601 -3.629 5.649 12.301 452 HB2 SER 601 HB2 SER 601 -1.665 4.285 10.502 453 HB3 SER 601 HB1 SER 601 -1.518 4.444 12.262 454 HG SER 601 HG SER 601 -3.902 3.420 11.760 455 H ARG 602 HN ARG 602 -2.350 6.506 9.106 456 HA ARG 602 HA ARG 602 -0.856 8.730 10.331 457 HB2 ARG 602 HB2 ARG 602 0.407 7.328 8.719 458 HB3 ARG 602 HB1 ARG 602 -0.774 7.720 7.476 459 HG2 ARG 602 HG2 ARG 602 -0.170 10.165 7.885 460 HG3 ARG 602 HG1 ARG 602 1.217 9.557 8.786 461 HD2 ARG 602 HD2 ARG 602 1.965 8.343 6.803 462 HD3 ARG 602 HD1 ARG 602 0.568 8.944 5.912 463 HE ARG 602 HE ARG 602 2.724 10.637 6.982 464 HH11 ARG 602 HH11 ARG 602 0.060 10.341 4.712 465 HH12 ARG 602 HH12 ARG 602 0.709 11.355 3.518 466 HH21 ARG 602 HH21 ARG 602 3.579 12.192 5.453 467 HH22 ARG 602 HH22 ARG 602 2.796 12.468 3.949 468 H GLU 603 HN GLU 603 -3.437 7.892 8.191 469 HA GLU 603 HA GLU 603 -3.808 10.662 7.367 470 HB2 GLU 603 HB2 GLU 603 -4.768 8.101 6.175 471 HB3 GLU 603 HB1 GLU 603 -5.226 9.670 5.553 472 HG2 GLU 603 HG2 GLU 603 -2.450 8.455 5.630 473 HG3 GLU 603 HG1 GLU 603 -3.429 8.763 4.200 474 HA PRO 604 HA PRO 604 -7.433 10.199 9.917 475 HB2 PRO 604 HB2 PRO 604 -7.552 12.670 10.876 476 HB3 PRO 604 HB1 PRO 604 -6.251 11.543 11.345 477 HG2 PRO 604 HG2 PRO 604 -6.119 13.776 9.352 478 HG3 PRO 604 HG1 PRO 604 -4.978 13.356 10.643 479 HD2 PRO 604 HD2 PRO 604 -4.765 12.560 7.996 480 HD3 PRO 604 HD1 PRO 604 -3.964 11.760 9.365 481 H SER 605 HN SER 605 -6.710 11.818 7.089 482 HA SER 605 HA SER 605 -9.098 13.194 6.515 483 HB2 SER 605 HB2 SER 605 -8.041 12.880 4.173 484 HB3 SER 605 HB1 SER 605 -7.142 13.819 5.377 485 HG SER 605 HG SER 605 -6.021 12.027 4.177 486 H LEU 606 HN LEU 606 -7.816 9.994 6.071 487 HA LEU 606 HA LEU 606 -9.826 8.920 4.424 488 HB2 LEU 606 HB2 LEU 606 -7.575 7.944 4.850 489 HB3 LEU 606 HB1 LEU 606 -8.042 7.508 6.461 490 HG LEU 606 HG LEU 606 -8.026 5.544 5.022 491 HD11 LEU 606 HD11 LEU 606 -10.213 4.624 5.375 492 HD12 LEU 606 HD12 LEU 606 -10.896 6.245 5.429 493 HD13 LEU 606 HD13 LEU 606 -9.855 5.728 6.729 494 HD21 LEU 606 HD21 LEU 606 -8.298 6.648 2.886 495 HD22 LEU 606 HD22 LEU 606 -9.980 7.018 3.275 496 HD23 LEU 606 HD23 LEU 606 -9.471 5.344 3.068 497 H ARG 607 HN ARG 607 -9.402 9.027 7.915 498 HA ARG 607 HA ARG 607 -11.729 7.782 8.784 499 HB2 ARG 607 HB2 ARG 607 -10.380 10.176 10.012 500 HB3 ARG 607 HB1 ARG 607 -11.484 9.085 10.830 501 HG2 ARG 607 HG2 ARG 607 -9.960 7.291 10.660 502 HG3 ARG 607 HG1 ARG 607 -8.853 8.205 9.645 503 HD2 ARG 607 HD2 ARG 607 -8.637 9.843 11.553 504 HD3 ARG 607 HD1 ARG 607 -9.632 8.759 12.513 505 HE ARG 607 HE ARG 607 -7.243 7.566 11.413 506 HH11 ARG 607 HH11 ARG 607 -8.564 9.379 14.149 507 HH12 ARG 607 HH12 ARG 607 -7.482 8.694 15.279 508 HH21 ARG 607 HH21 ARG 607 -5.734 6.694 12.964 509 HH22 ARG 607 HH22 ARG 607 -5.854 7.155 14.604 510 H ASP 608 HN ASP 608 -11.283 11.032 7.528 511 HA ASP 608 HA ASP 608 -13.983 11.869 8.126 512 HB2 ASP 608 HB2 ASP 608 -11.807 13.139 6.466 513 HB3 ASP 608 HB1 ASP 608 -13.426 13.809 6.566 514 H SER 609 HN SER 609 -12.924 9.663 6.109 515 HA SER 609 HA SER 609 -14.953 10.202 4.070 516 HB2 SER 609 HB2 SER 609 -12.460 8.498 3.807 517 HB3 SER 609 HB1 SER 609 -13.520 9.054 2.508 518 HG SER 609 HG SER 609 -11.893 10.662 4.182 519 H ASN 610 HN ASN 610 -15.342 7.678 3.116 520 HA ASN 610 HA ASN 610 -16.304 6.313 5.480 521 HB2 ASN 610 HB2 ASN 610 -16.729 5.683 2.557 522 HB3 ASN 610 HB1 ASN 610 -17.447 4.796 3.872 523 HD21 ASN 610 HD21 ASN 610 -19.089 5.732 5.089 524 HD22 ASN 610 HD22 ASN 610 -19.948 7.133 4.556 525 HA PRO 611 HA PRO 611 -12.747 3.622 5.454 526 HB2 PRO 611 HB2 PRO 611 -13.651 1.800 7.265 527 HB3 PRO 611 HB1 PRO 611 -13.102 3.412 7.738 528 HG2 PRO 611 HG2 PRO 611 -15.895 2.412 7.327 529 HG3 PRO 611 HG1 PRO 611 -15.254 3.442 8.619 530 HD2 PRO 611 HD2 PRO 611 -16.618 4.448 6.462 531 HD3 PRO 611 HD1 PRO 611 -15.334 5.348 7.301 532 H ASP 612 HN ASP 612 -15.845 2.859 4.498 533 HA ASP 612 HA ASP 612 -15.569 0.125 3.704 534 HB2 ASP 612 HB2 ASP 612 -17.717 1.399 4.013 535 HB3 ASP 612 HB1 ASP 612 -17.362 2.238 2.525 536 H GLU 613 HN GLU 613 -14.947 3.221 2.348 537 HA GLU 613 HA GLU 613 -14.075 2.082 -0.216 538 HB2 GLU 613 HB2 GLU 613 -15.765 3.922 -0.277 539 HB3 GLU 613 HB1 GLU 613 -14.641 4.940 0.605 540 HG2 GLU 613 HG2 GLU 613 -13.081 4.821 -1.293 541 HG3 GLU 613 HG1 GLU 613 -14.276 3.871 -2.182 542 H ILE 614 HN ILE 614 -11.925 1.702 -0.196 543 HA ILE 614 HA ILE 614 -10.258 3.043 1.709 544 HB ILE 614 HB ILE 614 -9.908 0.595 0.849 545 HG12 ILE 614 HG12 ILE 614 -7.514 2.431 0.747 546 HG13 ILE 614 HG11 ILE 614 -8.273 1.932 2.247 547 HG21 ILE 614 HG21 ILE 614 -8.719 0.265 -1.201 548 HG22 ILE 614 HG22 ILE 614 -8.307 1.963 -1.267 549 HG23 ILE 614 HG23 ILE 614 -9.930 1.500 -1.653 550 HD11 ILE 614 HD11 ILE 614 -6.311 0.589 1.785 551 HD12 ILE 614 HD12 ILE 614 -6.972 0.119 0.215 552 HD13 ILE 614 HD13 ILE 614 -7.767 -0.399 1.695 553 H GLU 615 HN GLU 615 -8.744 4.592 1.258 554 HA GLU 615 HA GLU 615 -8.412 5.365 -1.480 555 HB2 GLU 615 HB2 GLU 615 -10.111 6.915 -0.589 556 HB3 GLU 615 HB1 GLU 615 -9.024 7.346 0.727 557 HG2 GLU 615 HG2 GLU 615 -7.493 8.373 -0.766 558 HG3 GLU 615 HG1 GLU 615 -8.349 7.743 -2.168 559 H ILE 616 HN ILE 616 -6.467 4.785 -1.695 560 HA ILE 616 HA ILE 616 -4.537 5.262 0.460 561 HB ILE 616 HB ILE 616 -3.894 3.901 -2.158 562 HG12 ILE 616 HG12 ILE 616 -4.041 1.701 -0.749 563 HG13 ILE 616 HG11 ILE 616 -5.157 2.619 0.253 564 HG21 ILE 616 HG21 ILE 616 -2.023 4.620 -0.863 565 HG22 ILE 616 HG22 ILE 616 -2.098 2.858 -0.875 566 HG23 ILE 616 HG23 ILE 616 -2.617 3.752 0.553 567 HD11 ILE 616 HD11 ILE 616 -6.597 2.978 -1.680 568 HD12 ILE 616 HD12 ILE 616 -6.343 1.273 -1.363 569 HD13 ILE 616 HD13 ILE 616 -5.487 2.055 -2.692 570 H ASP 617 HN ASP 617 -3.906 7.379 0.256 571 HA ASP 617 HA ASP 617 -3.542 8.444 -2.393 572 HB2 ASP 617 HB2 ASP 617 -4.218 9.918 -0.444 573 HB3 ASP 617 HB1 ASP 617 -2.594 9.709 0.198 574 H PHE 618 HN PHE 618 -2.168 7.051 -3.254 575 HA PHE 618 HA PHE 618 0.213 6.050 -2.239 576 HB2 PHE 618 HB2 PHE 618 -0.910 6.281 -4.979 577 HB3 PHE 618 HB1 PHE 618 0.728 5.701 -4.785 578 HD1 PHE 618 HD1 PHE 618 -2.773 4.846 -4.683 579 HD2 PHE 618 HD2 PHE 618 1.086 3.656 -3.350 580 HE1 PHE 618 HE1 PHE 618 -3.601 2.533 -4.294 581 HE2 PHE 618 HE2 PHE 618 0.271 1.387 -2.974 582 HZ PHE 618 HZ PHE 618 -2.074 0.810 -3.439 583 H GLU 619 HN GLU 619 -0.219 9.238 -2.974 584 HA GLU 619 HA GLU 619 2.500 9.536 -4.052 585 HB2 GLU 619 HB2 GLU 619 0.260 11.530 -3.962 586 HB3 GLU 619 HB1 GLU 619 1.802 11.720 -4.778 587 HG2 GLU 619 HG2 GLU 619 -0.353 9.773 -5.414 588 HG3 GLU 619 HG1 GLU 619 0.112 11.219 -6.329 589 H THR 620 HN THR 620 0.252 10.908 -1.679 590 HA THR 620 HA THR 620 2.376 12.509 -0.621 591 HB THR 620 HB THR 620 -0.422 12.524 0.434 592 HG1 THR 620 HG1 THR 620 -0.764 12.359 -1.732 593 HG21 THR 620 HG21 THR 620 0.006 14.885 0.388 594 HG22 THR 620 HG22 THR 620 1.459 14.561 -0.566 595 HG23 THR 620 HG23 THR 620 1.412 14.075 1.148 596 H LEU 621 HN LEU 621 1.111 9.444 -0.066 597 HA LEU 621 HA LEU 621 1.424 9.354 2.755 598 HB2 LEU 621 HB2 LEU 621 1.171 7.283 0.623 599 HB3 LEU 621 HB1 LEU 621 1.705 6.816 2.229 600 HG LEU 621 HG LEU 621 -0.921 8.222 1.711 601 HD11 LEU 621 HD11 LEU 621 -0.863 6.019 0.598 602 HD12 LEU 621 HD12 LEU 621 -1.939 6.019 1.996 603 HD13 LEU 621 HD13 LEU 621 -0.345 5.280 2.112 604 HD21 LEU 621 HD21 LEU 621 -1.418 7.376 3.944 605 HD22 LEU 621 HD22 LEU 621 -0.015 8.449 3.954 606 HD23 LEU 621 HD23 LEU 621 0.207 6.691 4.019 607 H LYS 622 HN LYS 622 3.070 8.688 3.964 608 HA LYS 622 HA LYS 622 5.711 8.876 2.822 609 HB2 LYS 622 HB2 LYS 622 4.678 8.540 5.629 610 HB3 LYS 622 HB1 LYS 622 6.385 8.362 5.271 611 HG2 LYS 622 HG2 LYS 622 4.767 10.827 4.662 612 HG3 LYS 622 HG1 LYS 622 5.745 10.605 6.112 613 HD2 LYS 622 HD2 LYS 622 7.750 10.355 4.735 614 HD3 LYS 622 HD1 LYS 622 6.790 10.543 3.272 615 HE2 LYS 622 HE2 LYS 622 6.203 12.795 3.898 616 HE3 LYS 622 HE1 LYS 622 7.020 12.610 5.449 617 HZ1 LYS 622 HZ1 LYS 622 8.372 13.832 3.866 618 HZ2 LYS 622 HZ2 LYS 622 8.369 12.539 2.786 619 HZ3 LYS 622 HZ3 LYS 622 9.105 12.389 4.304 620 HA PRO 623 HA PRO 623 6.679 4.662 2.051 621 HB2 PRO 623 HB2 PRO 623 9.171 4.449 3.312 622 HB3 PRO 623 HB1 PRO 623 8.893 5.093 1.692 623 HG2 PRO 623 HG2 PRO 623 9.173 6.561 4.279 624 HG3 PRO 623 HG1 PRO 623 9.882 6.933 2.696 625 HD2 PRO 623 HD2 PRO 623 7.768 8.274 3.553 626 HD3 PRO 623 HD1 PRO 623 7.857 7.749 1.858 627 H THR 624 HN THR 624 6.827 5.821 5.361 628 HA THR 624 HA THR 624 7.104 3.368 6.677 629 HB THR 624 HB THR 624 6.025 4.844 8.516 630 HG1 THR 624 HG1 THR 624 5.597 6.881 7.878 631 HG21 THR 624 HG21 THR 624 8.637 5.595 7.191 632 HG22 THR 624 HG22 THR 624 8.423 4.269 8.323 633 HG23 THR 624 HG23 THR 624 8.205 5.935 8.869 634 H THR 625 HN THR 625 4.360 5.215 5.613 635 HA THR 625 HA THR 625 2.529 3.327 6.748 636 HB THR 625 HB THR 625 1.990 5.601 4.848 637 HG1 THR 625 HG1 THR 625 2.363 5.562 7.664 638 HG21 THR 625 HG21 THR 625 0.124 4.051 5.139 639 HG22 THR 625 HG22 THR 625 -0.250 5.591 5.919 640 HG23 THR 625 HG23 THR 625 0.244 4.204 6.891 641 H LEU 626 HN LEU 626 3.561 4.388 3.518 642 HA LEU 626 HA LEU 626 1.967 2.772 1.966 643 HB2 LEU 626 HB2 LEU 626 4.717 3.851 1.503 644 HB3 LEU 626 HB1 LEU 626 3.943 2.844 0.300 645 HG LEU 626 HG LEU 626 2.756 5.395 1.346 646 HD11 LEU 626 HD11 LEU 626 4.350 4.878 -1.184 647 HD12 LEU 626 HD12 LEU 626 4.884 5.849 0.190 648 HD13 LEU 626 HD13 LEU 626 3.519 6.382 -0.790 649 HD21 LEU 626 HD21 LEU 626 1.134 3.861 0.392 650 HD22 LEU 626 HD22 LEU 626 2.146 3.657 -1.033 651 HD23 LEU 626 HD23 LEU 626 1.392 5.219 -0.707 652 H ARG 627 HN ARG 627 5.112 2.029 3.404 653 HA ARG 627 HA ARG 627 5.356 -0.427 2.078 654 HB2 ARG 627 HB2 ARG 627 7.172 1.024 3.136 655 HB3 ARG 627 HB1 ARG 627 6.682 0.275 4.653 656 HG2 ARG 627 HG2 ARG 627 8.617 -0.883 3.682 657 HG3 ARG 627 HG1 ARG 627 7.197 -1.945 3.671 658 HD2 ARG 627 HD2 ARG 627 6.774 -1.408 1.331 659 HD3 ARG 627 HD1 ARG 627 8.122 -0.275 1.331 660 HE ARG 627 HE ARG 627 8.865 -2.901 2.072 661 HH11 ARG 627 HH11 ARG 627 8.182 -0.748 -0.690 662 HH12 ARG 627 HH12 ARG 627 9.071 -1.660 -1.808 663 HH21 ARG 627 HH21 ARG 627 10.169 -4.137 0.448 664 HH22 ARG 627 HH22 ARG 627 10.222 -3.566 -1.156 665 H GLU 628 HN GLU 628 3.868 0.599 5.063 666 HA GLU 628 HA GLU 628 3.796 -1.933 6.301 667 HB2 GLU 628 HB2 GLU 628 3.488 0.447 7.318 668 HB3 GLU 628 HB1 GLU 628 1.816 0.282 6.817 669 HG2 GLU 628 HG2 GLU 628 2.110 -0.327 9.139 670 HG3 GLU 628 HG1 GLU 628 1.570 -1.701 8.169 671 H LEU 629 HN LEU 629 1.774 -0.197 4.067 672 HA LEU 629 HA LEU 629 -0.542 -1.826 4.040 673 HB2 LEU 629 HB2 LEU 629 0.695 -0.547 1.609 674 HB3 LEU 629 HB1 LEU 629 -0.999 -0.873 1.896 675 HG LEU 629 HG LEU 629 0.661 1.248 3.254 676 HD11 LEU 629 HD11 LEU 629 0.234 1.733 0.928 677 HD12 LEU 629 HD12 LEU 629 -0.701 2.801 1.977 678 HD13 LEU 629 HD13 LEU 629 -1.488 1.447 1.169 679 HD21 LEU 629 HD21 LEU 629 -2.289 0.681 3.439 680 HD22 LEU 629 HD22 LEU 629 -1.433 2.053 4.154 681 HD23 LEU 629 HD23 LEU 629 -1.100 0.413 4.717 682 H GLU 630 HN GLU 630 2.342 -1.781 1.965 683 HA GLU 630 HA GLU 630 1.786 -4.028 0.420 684 HB2 GLU 630 HB2 GLU 630 3.568 -2.259 -0.004 685 HB3 GLU 630 HB1 GLU 630 4.565 -3.111 1.168 686 HG2 GLU 630 HG2 GLU 630 4.250 -5.172 -0.257 687 HG3 GLU 630 HG1 GLU 630 3.563 -4.108 -1.477 688 H ARG 631 HN ARG 631 3.583 -3.634 3.378 689 HA ARG 631 HA ARG 631 4.689 -6.188 3.763 690 HB2 ARG 631 HB2 ARG 631 5.213 -4.005 4.904 691 HB3 ARG 631 HB1 ARG 631 3.740 -4.193 5.821 692 HG2 ARG 631 HG2 ARG 631 4.687 -6.147 6.938 693 HG3 ARG 631 HG1 ARG 631 6.168 -5.977 5.977 694 HD2 ARG 631 HD2 ARG 631 6.407 -3.659 6.841 695 HD3 ARG 631 HD1 ARG 631 5.018 -3.937 7.879 696 HE ARG 631 HE ARG 631 7.141 -5.826 8.245 697 HH11 ARG 631 HH11 ARG 631 5.800 -2.694 9.308 698 HH12 ARG 631 HH12 ARG 631 6.825 -2.597 10.664 699 HH21 ARG 631 HH21 ARG 631 8.509 -5.640 10.141 700 HH22 ARG 631 HH22 ARG 631 8.361 -4.295 11.172 701 H TYR 632 HN TYR 632 1.523 -4.924 4.432 702 HA TYR 632 HA TYR 632 0.722 -7.236 5.959 703 HB2 TYR 632 HB2 TYR 632 -0.288 -5.261 6.639 704 HB3 TYR 632 HB1 TYR 632 -0.799 -4.813 5.006 705 HD1 TYR 632 HD1 TYR 632 -2.903 -5.474 4.235 706 HD2 TYR 632 HD2 TYR 632 -1.338 -7.280 7.746 707 HE1 TYR 632 HE1 TYR 632 -5.039 -6.586 4.587 708 HE2 TYR 632 HE2 TYR 632 -3.489 -8.411 8.135 709 HH TYR 632 HH TYR 632 -5.829 -8.149 7.541 710 H VAL 633 HN VAL 633 -0.159 -5.826 2.844 711 HA VAL 633 HA VAL 633 -1.872 -7.867 2.097 712 HB VAL 633 HB VAL 633 -1.751 -7.075 -0.192 713 HG11 VAL 633 HG11 VAL 633 -3.020 -5.692 1.361 714 HG12 VAL 633 HG12 VAL 633 -2.264 -4.710 0.112 715 HG13 VAL 633 HG13 VAL 633 -1.560 -4.766 1.723 716 HG21 VAL 633 HG21 VAL 633 0.620 -6.815 -0.515 717 HG22 VAL 633 HG22 VAL 633 0.669 -5.559 0.706 718 HG23 VAL 633 HG23 VAL 633 -0.150 -5.249 -0.832 719 H LYS 634 HN LYS 634 1.617 -7.650 1.689 720 HA LYS 634 HA LYS 634 1.857 -9.959 0.100 721 HB2 LYS 634 HB2 LYS 634 4.269 -9.814 0.514 722 HB3 LYS 634 HB1 LYS 634 3.572 -8.196 0.410 723 HG2 LYS 634 HG2 LYS 634 3.702 -7.927 2.774 724 HG3 LYS 634 HG1 LYS 634 4.287 -9.579 2.965 725 HD2 LYS 634 HD2 LYS 634 6.140 -7.958 3.059 726 HD3 LYS 634 HD1 LYS 634 6.300 -9.026 1.663 727 HE2 LYS 634 HE2 LYS 634 5.352 -7.288 0.220 728 HE3 LYS 634 HE1 LYS 634 5.155 -6.228 1.612 729 HZ1 LYS 634 HZ1 LYS 634 7.561 -6.191 1.847 730 HZ2 LYS 634 HZ2 LYS 634 7.071 -5.696 0.291 731 HZ3 LYS 634 HZ3 LYS 634 7.714 -7.235 0.518 732 H SER 635 HN SER 635 1.681 -9.487 3.576 733 HA SER 635 HA SER 635 2.303 -12.159 4.277 734 HB2 SER 635 HB2 SER 635 0.809 -10.018 5.802 735 HB3 SER 635 HB1 SER 635 1.424 -11.522 6.488 736 HG SER 635 HG SER 635 2.777 -9.219 5.716 737 H CYS 636 HN CYS 636 -0.656 -10.509 3.389 738 HA CYS 636 HA CYS 636 -2.272 -12.741 4.184 739 HB2 CYS 636 HB2 CYS 636 -3.052 -10.351 4.241 740 HB3 CYS 636 HB1 CYS 636 -3.083 -10.371 2.483 741 HG CYS 636 HG CYS 636 -4.799 -12.779 4.082 742 H LEU 637 HN LEU 637 -0.829 -11.524 1.191 743 HA LEU 637 HA LEU 637 -2.068 -13.489 -0.454 744 HB2 LEU 637 HB2 LEU 637 0.028 -11.437 -0.887 745 HB3 LEU 637 HB1 LEU 637 0.025 -12.808 -1.971 746 HG LEU 637 HG LEU 637 -1.138 -10.961 -2.968 747 HD11 LEU 637 HD11 LEU 637 -3.080 -13.118 -2.166 748 HD12 LEU 637 HD12 LEU 637 -1.932 -13.181 -3.501 749 HD13 LEU 637 HD13 LEU 637 -3.249 -12.013 -3.527 750 HD21 LEU 637 HD21 LEU 637 -2.993 -11.060 -0.603 751 HD22 LEU 637 HD22 LEU 637 -3.219 -10.072 -2.048 752 HD23 LEU 637 HD23 LEU 637 -1.849 -9.772 -0.980 753 H GLN 638 HN GLN 638 0.213 -13.849 1.874 754 HA GLN 638 HA GLN 638 1.876 -15.848 0.757 755 HB2 GLN 638 HB2 GLN 638 2.179 -14.654 2.956 756 HB3 GLN 638 HB1 GLN 638 0.814 -15.573 3.571 757 HG2 GLN 638 HG2 GLN 638 2.741 -16.651 4.295 758 HG3 GLN 638 HG1 GLN 638 2.031 -17.588 2.942 759 HE21 GLN 638 HE21 GLN 638 4.662 -15.525 3.907 760 HE22 GLN 638 HE22 GLN 638 5.704 -15.892 2.587 761 H LYS 639 HN LYS 639 -1.135 -15.874 2.607 762 HA LYS 639 HA LYS 639 -3.013 -17.051 2.561 763 HB2 LYS 639 HB2 LYS 639 -2.891 -16.497 0.135 764 HB3 LYS 639 HB1 LYS 639 -2.107 -18.035 -0.150 765 HG2 LYS 639 HG2 LYS 639 -4.087 -19.222 0.498 766 HG3 LYS 639 HG1 LYS 639 -4.894 -17.717 0.956 767 HD2 LYS 639 HD2 LYS 639 -4.700 -16.961 -1.400 768 HD3 LYS 639 HD1 LYS 639 -3.977 -18.510 -1.813 769 HE2 LYS 639 HE2 LYS 639 -6.757 -18.120 -0.695 770 HE3 LYS 639 HE1 LYS 639 -6.370 -18.407 -2.385 771 HZ1 LYS 639 HZ1 LYS 639 -5.916 -20.311 -0.134 772 HZ2 LYS 639 HZ2 LYS 639 -5.425 -20.557 -1.723 773 HZ3 LYS 639 HZ3 LYS 639 -7.053 -20.442 -1.374 774 H LYS 640 HN LYS 640 -0.134 -18.652 2.580 775 HA LYS 640 HA LYS 640 -1.290 -21.277 3.224 776 HB2 LYS 640 HB2 LYS 640 1.609 -20.416 3.034 777 HB3 LYS 640 HB1 LYS 640 1.018 -22.059 3.180 778 HG2 LYS 640 HG2 LYS 640 0.570 -20.251 0.811 779 HG3 LYS 640 HG1 LYS 640 1.793 -21.510 0.916 780 HD2 LYS 640 HD2 LYS 640 -0.005 -23.186 1.203 781 HD3 LYS 640 HD1 LYS 640 -1.200 -21.901 1.013 782 HE2 LYS 640 HE2 LYS 640 -0.870 -23.103 -1.092 783 HE3 LYS 640 HE1 LYS 640 -0.351 -21.426 -1.229 784 HZ1 LYS 640 HZ1 LYS 640 1.456 -23.751 -0.796 785 HZ2 LYS 640 HZ2 LYS 640 1.941 -22.151 -0.965 786 HZ3 LYS 640 HZ3 LYS 640 1.224 -22.952 -2.255 787 H GLN 641 HN GLN 641 -0.817 -22.167 5.345 788 HA GLN 641 HA GLN 641 -0.787 -20.157 7.364 789 HB2 GLN 641 HB2 GLN 641 -0.994 -21.956 8.965 790 HB3 GLN 641 HB1 GLN 641 -2.045 -22.288 7.600 791 HG2 GLN 641 HG2 GLN 641 -0.296 -23.821 6.726 792 HG3 GLN 641 HG1 GLN 641 0.596 -23.572 8.223 793 HE21 GLN 641 HE21 GLN 641 -2.151 -24.967 6.746 794 HE22 GLN 641 HE22 GLN 641 -2.598 -26.011 8.050 795 H ARG 642 HN ARG 642 1.602 -22.148 5.870 796 HA ARG 642 HA ARG 642 3.675 -20.605 7.053 797 HB2 ARG 642 HB2 ARG 642 4.938 -22.556 7.942 798 HB3 ARG 642 HB1 ARG 642 3.433 -22.316 8.803 799 HG2 ARG 642 HG2 ARG 642 3.584 -24.631 8.568 800 HG3 ARG 642 HG1 ARG 642 2.500 -24.166 7.261 801 HD2 ARG 642 HD2 ARG 642 4.480 -24.193 5.725 802 HD3 ARG 642 HD1 ARG 642 5.439 -24.840 7.052 803 HE ARG 642 HE ARG 642 3.032 -26.277 6.366 804 HH11 ARG 642 HH11 ARG 642 6.570 -26.141 6.134 805 HH12 ARG 642 HH12 ARG 642 6.710 -27.713 5.497 806 HH21 ARG 642 HH21 ARG 642 3.260 -28.438 5.522 807 HH22 ARG 642 HH22 ARG 642 4.797 -29.047 5.138 808 H LYS 643 HN LYS 643 5.779 -21.223 5.970 809 HA LYS 643 HA LYS 643 5.325 -22.770 3.609 810 HB2 LYS 643 HB2 LYS 643 6.677 -21.122 2.196 811 HB3 LYS 643 HB1 LYS 643 5.062 -20.629 2.623 812 HG2 LYS 643 HG2 LYS 643 6.397 -18.692 2.796 813 HG3 LYS 643 HG1 LYS 643 6.100 -19.203 4.447 814 HD2 LYS 643 HD2 LYS 643 8.408 -18.498 4.207 815 HD3 LYS 643 HD1 LYS 643 8.344 -20.232 4.499 816 HE2 LYS 643 HE2 LYS 643 9.995 -19.675 2.783 817 HE3 LYS 643 HE1 LYS 643 8.706 -20.662 2.114 818 HZ1 LYS 643 HZ1 LYS 643 8.893 -17.693 1.817 819 HZ2 LYS 643 HZ2 LYS 643 7.764 -18.699 1.072 820 HZ3 LYS 643 HZ3 LYS 643 9.376 -18.825 0.677 821 HA PRO 644 HA PRO 644 8.834 -24.982 5.028 822 HB2 PRO 644 HB2 PRO 644 9.215 -25.625 2.154 823 HB3 PRO 644 HB1 PRO 644 9.052 -26.711 3.534 824 HG2 PRO 644 HG2 PRO 644 7.062 -26.362 1.776 825 HG3 PRO 644 HG1 PRO 644 6.754 -26.628 3.501 826 HD2 PRO 644 HD2 PRO 644 6.552 -24.122 1.909 827 HD3 PRO 644 HD1 PRO 644 5.623 -24.674 3.317 Start of MODEL 3 1 H1 LYS 290 HT1 LYS 290 -5.836 8.073 -10.859 2 H2 LYS 290 HT2 LYS 290 -5.720 8.789 -12.371 3 H3 LYS 290 HT3 LYS 290 -6.801 7.515 -12.120 4 HA LYS 290 HA LYS 290 -7.954 9.631 -12.217 5 HB2 LYS 290 HB2 LYS 290 -8.666 7.694 -10.690 6 HB3 LYS 290 HB1 LYS 290 -7.886 8.557 -9.383 7 HG2 LYS 290 HG2 LYS 290 -9.448 10.420 -9.675 8 HG3 LYS 290 HG1 LYS 290 -10.239 9.537 -10.989 9 HD2 LYS 290 HD2 LYS 290 -10.672 7.672 -9.385 10 HD3 LYS 290 HD1 LYS 290 -10.038 8.698 -8.099 11 HE2 LYS 290 HE2 LYS 290 -12.436 9.304 -9.831 12 HE3 LYS 290 HE1 LYS 290 -12.481 8.730 -8.167 13 HZ1 LYS 290 HZ1 LYS 290 -12.822 11.088 -8.275 14 HZ2 LYS 290 HZ2 LYS 290 -11.367 11.334 -9.068 15 HZ3 LYS 290 HZ3 LYS 290 -11.391 10.774 -7.480 16 H VAL 291 HN VAL 291 -6.268 11.236 -12.538 17 HA VAL 291 HA VAL 291 -4.863 12.916 -12.071 18 HB VAL 291 HB VAL 291 -6.299 13.151 -9.389 19 HG11 VAL 291 HG11 VAL 291 -4.697 15.176 -10.956 20 HG12 VAL 291 HG12 VAL 291 -4.207 14.398 -9.451 21 HG13 VAL 291 HG13 VAL 291 -5.576 15.509 -9.466 22 HG21 VAL 291 HG21 VAL 291 -7.713 14.851 -10.465 23 HG22 VAL 291 HG22 VAL 291 -7.909 13.264 -11.211 24 HG23 VAL 291 HG23 VAL 291 -6.939 14.500 -12.012 25 H ALA 292 HN ALA 292 -3.027 11.969 -12.059 26 HA ALA 292 HA ALA 292 -1.130 11.025 -11.478 27 HB1 ALA 292 HB1 ALA 292 -2.174 10.635 -8.641 28 HB2 ALA 292 HB2 ALA 292 -1.170 11.989 -9.153 29 HB3 ALA 292 HB3 ALA 292 -0.516 10.351 -9.166 30 HA PRO 293 HA PRO 293 -2.361 7.273 -13.035 31 HB2 PRO 293 HB2 PRO 293 -0.111 5.786 -12.878 32 HB3 PRO 293 HB1 PRO 293 -0.298 7.157 -13.980 33 HG2 PRO 293 HG2 PRO 293 1.012 7.071 -11.282 34 HG3 PRO 293 HG1 PRO 293 1.622 7.779 -12.789 35 HD2 PRO 293 HD2 PRO 293 0.501 9.305 -10.904 36 HD3 PRO 293 HD1 PRO 293 0.231 9.622 -12.628 37 H LEU 294 HN LEU 294 -1.810 7.311 -9.720 38 HA LEU 294 HA LEU 294 -2.945 4.671 -9.559 39 HB2 LEU 294 HB2 LEU 294 -0.434 4.498 -9.581 40 HB3 LEU 294 HB1 LEU 294 -0.445 5.302 -8.029 41 HG LEU 294 HG LEU 294 -1.660 3.418 -7.046 42 HD11 LEU 294 HD11 LEU 294 -1.450 2.211 -9.813 43 HD12 LEU 294 HD12 LEU 294 -2.953 2.644 -8.972 44 HD13 LEU 294 HD13 LEU 294 -1.917 1.354 -8.353 45 HD21 LEU 294 HD21 LEU 294 0.747 2.614 -8.642 46 HD22 LEU 294 HD22 LEU 294 0.132 1.813 -7.196 47 HD23 LEU 294 HD23 LEU 294 0.758 3.462 -7.101 48 H LYS 295 HN LYS 295 -4.732 5.458 -8.748 49 HA LYS 295 HA LYS 295 -4.814 6.378 -5.966 50 HB2 LYS 295 HB2 LYS 295 -6.388 7.522 -8.301 51 HB3 LYS 295 HB1 LYS 295 -6.632 7.942 -6.617 52 HG2 LYS 295 HG2 LYS 295 -4.011 8.422 -7.989 53 HG3 LYS 295 HG1 LYS 295 -5.345 9.562 -8.126 54 HD2 LYS 295 HD2 LYS 295 -5.380 9.796 -5.679 55 HD3 LYS 295 HD1 LYS 295 -4.037 8.654 -5.564 56 HE2 LYS 295 HE2 LYS 295 -2.528 10.119 -6.529 57 HE3 LYS 295 HE1 LYS 295 -3.794 11.065 -7.304 58 HZ1 LYS 295 HZ1 LYS 295 -2.756 12.226 -5.459 59 HZ2 LYS 295 HZ2 LYS 295 -3.281 11.045 -4.361 60 HZ3 LYS 295 HZ3 LYS 295 -4.389 11.970 -5.201 61 H ILE 296 HN ILE 296 -6.639 5.325 -4.948 62 HA ILE 296 HA ILE 296 -8.508 3.967 -6.682 63 HB ILE 296 HB ILE 296 -6.712 2.346 -6.607 64 HG12 ILE 296 HG12 ILE 296 -9.044 1.492 -4.862 65 HG13 ILE 296 HG11 ILE 296 -8.987 1.442 -6.618 66 HG21 ILE 296 HG21 ILE 296 -5.615 3.062 -4.566 67 HG22 ILE 296 HG22 ILE 296 -5.914 1.321 -4.542 68 HG23 ILE 296 HG23 ILE 296 -6.941 2.408 -3.604 69 HD11 ILE 296 HD11 ILE 296 -7.200 -0.238 -6.495 70 HD12 ILE 296 HD12 ILE 296 -8.678 -0.770 -5.693 71 HD13 ILE 296 HD13 ILE 296 -7.309 -0.209 -4.734 72 H LYS 297 HN LYS 297 -10.468 3.981 -5.875 73 HA LYS 297 HA LYS 297 -10.914 4.368 -3.005 74 HB2 LYS 297 HB2 LYS 297 -12.742 4.550 -5.410 75 HB3 LYS 297 HB1 LYS 297 -13.366 4.463 -3.782 76 HG2 LYS 297 HG2 LYS 297 -12.335 6.576 -3.252 77 HG3 LYS 297 HG1 LYS 297 -11.633 6.684 -4.887 78 HD2 LYS 297 HD2 LYS 297 -13.921 6.614 -5.809 79 HD3 LYS 297 HD1 LYS 297 -14.571 6.528 -4.178 80 HE2 LYS 297 HE2 LYS 297 -12.970 8.820 -5.318 81 HE3 LYS 297 HE1 LYS 297 -14.723 8.786 -5.159 82 HZ1 LYS 297 HZ1 LYS 297 -13.869 9.994 -3.349 83 HZ2 LYS 297 HZ2 LYS 297 -12.675 8.882 -3.032 84 HZ3 LYS 297 HZ3 LYS 297 -14.297 8.502 -2.663 85 H LEU 298 HN LEU 298 -11.440 2.639 -1.854 86 HA LEU 298 HA LEU 298 -12.372 0.202 -3.237 87 HB2 LEU 298 HB2 LEU 298 -11.601 0.612 -0.344 88 HB3 LEU 298 HB1 LEU 298 -12.144 -0.870 -1.030 89 HG LEU 298 HG LEU 298 -9.772 -0.760 -0.453 90 HD11 LEU 298 HD11 LEU 298 -10.588 -2.420 -2.087 91 HD12 LEU 298 HD12 LEU 298 -8.978 -1.884 -2.568 92 HD13 LEU 298 HD13 LEU 298 -10.397 -1.254 -3.400 93 HD21 LEU 298 HD21 LEU 298 -9.539 1.120 -2.808 94 HD22 LEU 298 HD22 LEU 298 -8.167 0.292 -2.078 95 HD23 LEU 298 HD23 LEU 298 -9.088 1.457 -1.137 96 H GLY 299 HN GLY 299 -14.476 -0.344 -2.997 97 HA2 GLY 299 HA2 GLY 299 -16.057 1.208 -1.074 98 HA3 GLY 299 HA1 GLY 299 -16.690 0.500 -2.563 99 H GLY 300 HN GLY 300 -16.252 0.061 0.721 100 HA2 GLY 300 HA2 GLY 300 -15.914 -2.701 1.006 101 HA3 GLY 300 HA1 GLY 300 -16.754 -1.668 2.154 102 H PHE 301 HN PHE 301 -19.006 -1.056 1.443 103 HA PHE 301 HA PHE 301 -20.381 -3.505 0.666 104 HB2 PHE 301 HB2 PHE 301 -21.187 -2.169 2.621 105 HB3 PHE 301 HB1 PHE 301 -21.544 -0.842 1.526 106 HD1 PHE 301 HD1 PHE 301 -23.509 -0.878 0.132 107 HD2 PHE 301 HD2 PHE 301 -22.520 -4.231 2.558 108 HE1 PHE 301 HE1 PHE 301 -25.745 -1.821 -0.265 109 HE2 PHE 301 HE2 PHE 301 -24.755 -5.176 2.163 110 HZ PHE 301 HZ PHE 301 -26.368 -3.973 0.748 111 H ALA 557 HN ALA 557 9.977 17.085 12.392 112 HA ALA 557 HA ALA 557 12.050 17.773 13.134 113 HB1 ALA 557 HB1 ALA 557 10.294 20.190 13.581 114 HB2 ALA 557 HB2 ALA 557 11.035 19.715 12.051 115 HB3 ALA 557 HB3 ALA 557 12.046 20.217 13.406 116 H SER 558 HN SER 558 9.441 18.224 15.360 117 HA SER 558 HA SER 558 11.259 18.575 17.602 118 HB2 SER 558 HB2 SER 558 8.233 18.512 17.530 119 HB3 SER 558 HB1 SER 558 9.231 18.988 18.906 120 HG SER 558 HG SER 558 10.172 20.490 17.199 121 H ALA 559 HN ALA 559 9.819 16.113 15.894 122 HA ALA 559 HA ALA 559 9.498 14.269 18.088 123 HB1 ALA 559 HB1 ALA 559 8.014 14.111 16.138 124 HB2 ALA 559 HB2 ALA 559 8.959 12.637 16.334 125 HB3 ALA 559 HB3 ALA 559 9.408 13.811 15.096 126 H SER 560 HN SER 560 11.001 12.853 18.741 127 HA SER 560 HA SER 560 13.654 13.148 17.676 128 HB2 SER 560 HB2 SER 560 14.229 11.666 19.642 129 HB3 SER 560 HB1 SER 560 13.462 13.199 20.063 130 HG SER 560 HG SER 560 12.327 10.624 19.954 131 H TYR 561 HN TYR 561 14.776 11.567 16.633 132 HA TYR 561 HA TYR 561 13.267 9.157 15.932 133 HB2 TYR 561 HB2 TYR 561 15.484 10.519 14.372 134 HB3 TYR 561 HB1 TYR 561 14.638 9.065 13.879 135 HD1 TYR 561 HD1 TYR 561 14.620 12.572 14.010 136 HD2 TYR 561 HD2 TYR 561 12.207 9.220 13.253 137 HE1 TYR 561 HE1 TYR 561 12.961 14.054 12.839 138 HE2 TYR 561 HE2 TYR 561 10.543 10.617 12.089 139 HH TYR 561 HH TYR 561 11.232 13.863 11.222 140 H ASP 562 HN ASP 562 15.397 7.814 14.883 141 HA ASP 562 HA ASP 562 17.532 7.515 16.755 142 HB2 ASP 562 HB2 ASP 562 15.642 6.419 17.995 143 HB3 ASP 562 HB1 ASP 562 15.423 5.327 16.631 144 H SER 563 HN SER 563 19.157 6.244 15.758 145 HA SER 563 HA SER 563 18.646 6.042 12.959 146 HB2 SER 563 HB2 SER 563 20.681 7.040 13.540 147 HB3 SER 563 HB1 SER 563 21.209 5.619 14.477 148 HG SER 563 HG SER 563 20.894 5.973 11.706 149 H GLU 564 HN GLU 564 18.496 4.490 11.794 150 HA GLU 564 HA GLU 564 19.101 1.783 12.221 151 HB2 GLU 564 HB2 GLU 564 17.190 1.926 13.791 152 HB3 GLU 564 HB1 GLU 564 16.230 2.685 12.518 153 HG2 GLU 564 HG2 GLU 564 15.610 0.351 12.919 154 HG3 GLU 564 HG1 GLU 564 16.194 0.704 11.283 155 H GLU 565 HN GLU 565 17.989 0.635 10.387 156 HA GLU 565 HA GLU 565 18.207 2.226 8.009 157 HB2 GLU 565 HB2 GLU 565 17.377 -0.650 8.406 158 HB3 GLU 565 HB1 GLU 565 17.560 0.116 6.836 159 HG2 GLU 565 HG2 GLU 565 19.750 -0.179 8.867 160 HG3 GLU 565 HG1 GLU 565 19.504 -1.240 7.477 161 H GLU 566 HN GLU 566 16.615 3.677 7.885 162 HA GLU 566 HA GLU 566 13.929 2.967 8.520 163 HB2 GLU 566 HB2 GLU 566 14.789 5.265 8.901 164 HB3 GLU 566 HB1 GLU 566 14.983 5.457 7.164 165 HG2 GLU 566 HG2 GLU 566 12.558 5.164 6.894 166 HG3 GLU 566 HG1 GLU 566 12.402 5.067 8.647 167 H GLU 567 HN GLU 567 13.452 1.356 7.258 168 HA GLU 567 HA GLU 567 13.714 1.377 4.387 169 HB2 GLU 567 HB2 GLU 567 12.222 -0.529 6.218 170 HB3 GLU 567 HB1 GLU 567 12.707 -0.844 4.556 171 HG2 GLU 567 HG2 GLU 567 15.015 -0.881 5.144 172 HG3 GLU 567 HG1 GLU 567 14.672 -0.287 6.765 173 H GLU 568 HN GLU 568 11.618 2.468 6.713 174 HA GLU 568 HA GLU 568 9.254 2.677 5.015 175 HB2 GLU 568 HB2 GLU 568 9.899 3.152 7.878 176 HB3 GLU 568 HB1 GLU 568 8.409 3.710 7.150 177 HG2 GLU 568 HG2 GLU 568 7.613 1.575 6.816 178 HG3 GLU 568 HG1 GLU 568 9.243 0.877 6.849 179 H GLY 569 HN GLY 569 11.851 4.168 4.754 180 HA2 GLY 569 HA2 GLY 569 10.604 6.786 4.493 181 HA3 GLY 569 HA1 GLY 569 12.092 6.676 5.415 182 H LEU 570 HN LEU 570 11.550 4.577 2.758 183 HA LEU 570 HA LEU 570 13.469 6.101 1.211 184 HB2 LEU 570 HB2 LEU 570 13.958 3.935 0.021 185 HB3 LEU 570 HB1 LEU 570 14.465 3.995 1.691 186 HG LEU 570 HG LEU 570 12.370 2.630 2.221 187 HD11 LEU 570 HD11 LEU 570 12.389 2.175 -0.755 188 HD12 LEU 570 HD12 LEU 570 11.125 2.986 0.170 189 HD13 LEU 570 HD13 LEU 570 11.442 1.269 0.426 190 HD21 LEU 570 HD21 LEU 570 14.598 1.683 2.246 191 HD22 LEU 570 HD22 LEU 570 14.525 1.414 0.507 192 HD23 LEU 570 HD23 LEU 570 13.444 0.528 1.581 193 HA PRO 571 HA PRO 571 10.255 6.794 -1.729 194 HB2 PRO 571 HB2 PRO 571 12.143 6.575 -3.957 195 HB3 PRO 571 HB1 PRO 571 11.256 7.988 -3.390 196 HG2 PRO 571 HG2 PRO 571 13.936 7.742 -3.072 197 HG3 PRO 571 HG1 PRO 571 12.916 8.605 -1.910 198 HD2 PRO 571 HD2 PRO 571 14.063 5.845 -1.744 199 HD3 PRO 571 HD1 PRO 571 13.889 7.079 -0.477 200 H MET 572 HN MET 572 8.842 5.468 -2.649 201 HA MET 572 HA MET 572 9.714 2.791 -3.520 202 HB2 MET 572 HB2 MET 572 6.960 3.865 -2.864 203 HB3 MET 572 HB1 MET 572 7.322 2.222 -3.376 204 HG2 MET 572 HG2 MET 572 8.629 1.839 -1.379 205 HG3 MET 572 HG1 MET 572 8.380 3.504 -0.867 206 HE1 MET 572 HE1 MET 572 5.707 1.070 -2.515 207 HE2 MET 572 HE2 MET 572 5.033 0.337 -1.064 208 HE3 MET 572 HE3 MET 572 6.709 0.012 -1.519 209 H SER 573 HN SER 573 9.322 2.094 -5.562 210 HA SER 573 HA SER 573 9.121 4.349 -7.352 211 HB2 SER 573 HB2 SER 573 9.897 2.713 -9.058 212 HB3 SER 573 HB1 SER 573 10.981 2.855 -7.674 213 HG SER 573 HG SER 573 10.241 0.944 -6.876 214 H TYR 574 HN TYR 574 7.909 4.143 -9.314 215 HA TYR 574 HA TYR 574 5.232 3.746 -9.168 216 HB2 TYR 574 HB2 TYR 574 5.402 3.452 -11.729 217 HB3 TYR 574 HB1 TYR 574 6.037 4.939 -11.035 218 HD1 TYR 574 HD1 TYR 574 6.934 1.748 -12.664 219 HD2 TYR 574 HD2 TYR 574 8.419 5.389 -11.045 220 HE1 TYR 574 HE1 TYR 574 9.124 1.311 -13.692 221 HE2 TYR 574 HE2 TYR 574 10.600 4.966 -12.071 222 HH TYR 574 HH TYR 574 11.123 2.564 -14.405 223 H ASP 575 HN ASP 575 7.674 1.351 -9.928 224 HA ASP 575 HA ASP 575 5.930 -0.721 -10.788 225 HB2 ASP 575 HB2 ASP 575 8.324 -0.720 -11.333 226 HB3 ASP 575 HB1 ASP 575 8.716 -0.893 -9.626 227 H GLU 576 HN GLU 576 7.618 -0.120 -7.722 228 HA GLU 576 HA GLU 576 6.639 -2.220 -6.275 229 HB2 GLU 576 HB2 GLU 576 7.409 0.529 -5.415 230 HB3 GLU 576 HB1 GLU 576 7.217 -0.845 -4.329 231 HG2 GLU 576 HG2 GLU 576 8.947 -2.039 -5.535 232 HG3 GLU 576 HG1 GLU 576 9.111 -0.690 -6.637 233 H LYS 577 HN LYS 577 5.409 1.069 -6.529 234 HA LYS 577 HA LYS 577 3.167 0.782 -4.875 235 HB2 LYS 577 HB2 LYS 577 3.479 2.570 -7.269 236 HB3 LYS 577 HB1 LYS 577 2.297 2.759 -5.981 237 HG2 LYS 577 HG2 LYS 577 4.174 3.112 -4.386 238 HG3 LYS 577 HG1 LYS 577 5.283 3.067 -5.758 239 HD2 LYS 577 HD2 LYS 577 4.057 4.944 -6.781 240 HD3 LYS 577 HD1 LYS 577 3.022 5.027 -5.359 241 HE2 LYS 577 HE2 LYS 577 5.135 5.339 -4.010 242 HE3 LYS 577 HE1 LYS 577 5.965 5.584 -5.548 243 HZ1 LYS 577 HZ1 LYS 577 3.755 7.156 -4.409 244 HZ2 LYS 577 HZ2 LYS 577 4.240 7.395 -5.969 245 HZ3 LYS 577 HZ3 LYS 577 5.318 7.716 -4.683 246 H ARG 578 HN ARG 578 3.493 0.425 -8.411 247 HA ARG 578 HA ARG 578 0.826 -0.151 -8.999 248 HB2 ARG 578 HB2 ARG 578 2.506 0.359 -10.715 249 HB3 ARG 578 HB1 ARG 578 3.320 -1.156 -10.370 250 HG2 ARG 578 HG2 ARG 578 2.026 -1.350 -12.394 251 HG3 ARG 578 HG1 ARG 578 1.337 -2.387 -11.144 252 HD2 ARG 578 HD2 ARG 578 -0.425 -1.224 -12.364 253 HD3 ARG 578 HD1 ARG 578 -0.377 -0.680 -10.693 254 HE ARG 578 HE ARG 578 1.207 1.092 -11.950 255 HH11 ARG 578 HH11 ARG 578 -2.096 0.032 -12.525 256 HH12 ARG 578 HH12 ARG 578 -2.595 1.446 -13.311 257 HH21 ARG 578 HH21 ARG 578 0.567 3.046 -12.930 258 HH22 ARG 578 HH22 ARG 578 -1.036 3.283 -13.492 259 H GLN 579 HN GLN 579 3.534 -2.374 -8.296 260 HA GLN 579 HA GLN 579 2.086 -4.708 -8.494 261 HB2 GLN 579 HB2 GLN 579 4.451 -4.660 -8.640 262 HB3 GLN 579 HB1 GLN 579 4.601 -3.924 -7.065 263 HG2 GLN 579 HG2 GLN 579 5.336 -6.217 -7.077 264 HG3 GLN 579 HG1 GLN 579 3.961 -5.950 -6.013 265 HE21 GLN 579 HE21 GLN 579 1.825 -6.239 -7.729 266 HE22 GLN 579 HE22 GLN 579 1.781 -7.820 -8.393 267 H LEU 580 HN LEU 580 2.640 -2.504 -5.851 268 HA LEU 580 HA LEU 580 1.588 -3.984 -3.720 269 HB2 LEU 580 HB2 LEU 580 2.780 -1.597 -4.018 270 HB3 LEU 580 HB1 LEU 580 1.129 -1.050 -3.930 271 HG LEU 580 HG LEU 580 2.629 -2.565 -1.800 272 HD11 LEU 580 HD11 LEU 580 1.704 0.292 -1.918 273 HD12 LEU 580 HD12 LEU 580 3.344 -0.270 -2.167 274 HD13 LEU 580 HD13 LEU 580 2.573 -0.472 -0.581 275 HD21 LEU 580 HD21 LEU 580 -0.151 -1.386 -1.717 276 HD22 LEU 580 HD22 LEU 580 0.704 -2.137 -0.364 277 HD23 LEU 580 HD23 LEU 580 0.238 -3.104 -1.760 278 H SER 581 HN SER 581 0.079 -1.854 -6.172 279 HA SER 581 HA SER 581 -2.524 -1.881 -5.087 280 HB2 SER 581 HB2 SER 581 -1.616 -1.380 -7.924 281 HB3 SER 581 HB1 SER 581 -3.135 -0.848 -7.197 282 HG SER 581 HG SER 581 -0.533 -0.046 -6.327 283 H LEU 582 HN LEU 582 -0.743 -3.935 -7.240 284 HA LEU 582 HA LEU 582 -2.965 -5.450 -8.192 285 HB2 LEU 582 HB2 LEU 582 -0.056 -6.252 -8.046 286 HB3 LEU 582 HB1 LEU 582 -1.291 -7.035 -9.009 287 HG LEU 582 HG LEU 582 -0.241 -4.239 -9.405 288 HD11 LEU 582 HD11 LEU 582 0.128 -6.741 -11.057 289 HD12 LEU 582 HD12 LEU 582 1.359 -5.982 -10.055 290 HD13 LEU 582 HD13 LEU 582 0.729 -5.136 -11.472 291 HD21 LEU 582 HD21 LEU 582 -2.249 -5.816 -11.015 292 HD22 LEU 582 HD22 LEU 582 -1.558 -4.262 -11.488 293 HD23 LEU 582 HD23 LEU 582 -2.576 -4.372 -10.053 294 H ASP 583 HN ASP 583 -0.449 -6.070 -5.741 295 HA ASP 583 HA ASP 583 -1.602 -8.408 -4.698 296 HB2 ASP 583 HB2 ASP 583 0.211 -6.373 -3.415 297 HB3 ASP 583 HB1 ASP 583 -0.367 -7.784 -2.539 298 H ILE 584 HN ILE 584 -2.291 -5.075 -3.832 299 HA ILE 584 HA ILE 584 -4.168 -5.695 -1.816 300 HB ILE 584 HB ILE 584 -3.911 -3.278 -3.624 301 HG12 ILE 584 HG12 ILE 584 -3.304 -3.699 -0.702 302 HG13 ILE 584 HG11 ILE 584 -2.123 -3.583 -2.004 303 HG21 ILE 584 HG21 ILE 584 -5.487 -2.094 -2.139 304 HG22 ILE 584 HG22 ILE 584 -5.818 -3.627 -1.324 305 HG23 ILE 584 HG23 ILE 584 -6.251 -3.423 -3.021 306 HD11 ILE 584 HD11 ILE 584 -2.275 -1.520 -0.708 307 HD12 ILE 584 HD12 ILE 584 -3.992 -1.412 -1.122 308 HD13 ILE 584 HD13 ILE 584 -2.767 -1.282 -2.387 309 H ASN 585 HN ASN 585 -4.516 -5.400 -5.305 310 HA ASN 585 HA ASN 585 -7.350 -5.643 -5.291 311 HB2 ASN 585 HB2 ASN 585 -6.198 -4.644 -7.212 312 HB3 ASN 585 HB1 ASN 585 -5.385 -6.169 -7.539 313 HD21 ASN 585 HD21 ASN 585 -8.440 -4.468 -7.635 314 HD22 ASN 585 HD22 ASN 585 -9.228 -5.568 -8.693 315 H ARG 586 HN ARG 586 -4.761 -7.856 -5.122 316 HA ARG 586 HA ARG 586 -6.208 -10.203 -5.767 317 HB2 ARG 586 HB2 ARG 586 -3.631 -9.795 -4.245 318 HB3 ARG 586 HB1 ARG 586 -4.254 -11.380 -4.679 319 HG2 ARG 586 HG2 ARG 586 -4.080 -10.835 -7.036 320 HG3 ARG 586 HG1 ARG 586 -3.600 -9.189 -6.643 321 HD2 ARG 586 HD2 ARG 586 -1.539 -10.110 -5.567 322 HD3 ARG 586 HD1 ARG 586 -2.044 -11.711 -6.088 323 HE ARG 586 HE ARG 586 -2.120 -10.398 -8.382 324 HH11 ARG 586 HH11 ARG 586 0.512 -10.126 -5.957 325 HH12 ARG 586 HH12 ARG 586 1.730 -10.194 -7.124 326 HH21 ARG 586 HH21 ARG 586 -0.432 -10.376 -9.924 327 HH22 ARG 586 HH22 ARG 586 1.205 -10.267 -9.451 328 H LEU 587 HN LEU 587 -6.151 -8.189 -3.026 329 HA LEU 587 HA LEU 587 -7.169 -10.270 -1.265 330 HB2 LEU 587 HB2 LEU 587 -6.746 -7.334 -0.727 331 HB3 LEU 587 HB1 LEU 587 -7.173 -8.549 0.450 332 HG LEU 587 HG LEU 587 -4.548 -8.192 -0.959 333 HD11 LEU 587 HD11 LEU 587 -5.369 -8.062 1.920 334 HD12 LEU 587 HD12 LEU 587 -4.925 -6.700 0.885 335 HD13 LEU 587 HD13 LEU 587 -3.721 -7.923 1.316 336 HD21 LEU 587 HD21 LEU 587 -4.975 -10.547 -0.846 337 HD22 LEU 587 HD22 LEU 587 -5.427 -10.421 0.865 338 HD23 LEU 587 HD23 LEU 587 -3.764 -10.097 0.358 339 HA PRO 588 HA PRO 588 -11.321 -8.814 -2.067 340 HB2 PRO 588 HB2 PRO 588 -12.570 -10.020 0.033 341 HB3 PRO 588 HB1 PRO 588 -12.064 -10.913 -1.404 342 HG2 PRO 588 HG2 PRO 588 -10.767 -10.723 1.271 343 HG3 PRO 588 HG1 PRO 588 -10.922 -12.118 0.189 344 HD2 PRO 588 HD2 PRO 588 -8.643 -10.609 0.434 345 HD3 PRO 588 HD1 PRO 588 -9.074 -11.540 -1.016 346 H GLY 589 HN GLY 589 -12.950 -7.482 -0.952 347 HA2 GLY 589 HA2 GLY 589 -11.870 -5.202 0.232 348 HA3 GLY 589 HA1 GLY 589 -13.571 -5.602 0.208 349 H GLU 590 HN GLU 590 -13.273 -7.993 1.778 350 HA GLU 590 HA GLU 590 -13.524 -6.964 4.352 351 HB2 GLU 590 HB2 GLU 590 -13.311 -9.348 5.123 352 HB3 GLU 590 HB1 GLU 590 -14.543 -9.054 3.907 353 HG2 GLU 590 HG2 GLU 590 -13.052 -9.938 2.187 354 HG3 GLU 590 HG1 GLU 590 -11.817 -10.224 3.413 355 H LYS 591 HN LYS 591 -10.667 -8.261 2.744 356 HA LYS 591 HA LYS 591 -9.087 -8.189 5.156 357 HB2 LYS 591 HB2 LYS 591 -8.261 -8.562 2.275 358 HB3 LYS 591 HB1 LYS 591 -7.164 -8.674 3.645 359 HG2 LYS 591 HG2 LYS 591 -9.518 -10.471 3.082 360 HG3 LYS 591 HG1 LYS 591 -7.814 -10.881 2.884 361 HD2 LYS 591 HD2 LYS 591 -7.486 -10.557 5.319 362 HD3 LYS 591 HD1 LYS 591 -9.211 -10.231 5.492 363 HE2 LYS 591 HE2 LYS 591 -9.684 -12.465 4.559 364 HE3 LYS 591 HE1 LYS 591 -7.950 -12.768 4.496 365 HZ1 LYS 591 HZ1 LYS 591 -7.878 -12.517 6.926 366 HZ2 LYS 591 HZ2 LYS 591 -8.921 -13.749 6.461 367 HZ3 LYS 591 HZ3 LYS 591 -9.547 -12.287 6.966 368 H LEU 592 HN LEU 592 -9.803 -6.061 2.495 369 HA LEU 592 HA LEU 592 -7.777 -4.221 2.788 370 HB2 LEU 592 HB2 LEU 592 -10.511 -4.197 1.701 371 HB3 LEU 592 HB1 LEU 592 -9.839 -2.642 2.125 372 HG LEU 592 HG LEU 592 -9.574 -3.191 -0.224 373 HD11 LEU 592 HD11 LEU 592 -7.997 -1.696 0.914 374 HD12 LEU 592 HD12 LEU 592 -7.253 -2.552 -0.422 375 HD13 LEU 592 HD13 LEU 592 -6.930 -3.068 1.237 376 HD21 LEU 592 HD21 LEU 592 -7.769 -5.409 0.730 377 HD22 LEU 592 HD22 LEU 592 -7.954 -4.879 -0.945 378 HD23 LEU 592 HD23 LEU 592 -9.317 -5.604 -0.094 379 H GLY 593 HN GLY 593 -10.510 -4.856 4.786 380 HA2 GLY 593 HA2 GLY 593 -10.948 -2.486 6.131 381 HA3 GLY 593 HA1 GLY 593 -11.107 -4.072 6.862 382 H ARG 594 HN ARG 594 -8.314 -4.815 6.698 383 HA ARG 594 HA ARG 594 -7.411 -3.440 9.017 384 HB2 ARG 594 HB2 ARG 594 -6.871 -5.787 8.797 385 HB3 ARG 594 HB1 ARG 594 -6.070 -5.516 7.266 386 HG2 ARG 594 HG2 ARG 594 -4.487 -5.868 9.109 387 HG3 ARG 594 HG1 ARG 594 -4.304 -4.280 8.364 388 HD2 ARG 594 HD2 ARG 594 -5.543 -3.253 10.108 389 HD3 ARG 594 HD1 ARG 594 -5.914 -4.813 10.824 390 HE ARG 594 HE ARG 594 -3.161 -4.612 10.686 391 HH11 ARG 594 HH11 ARG 594 -5.772 -2.918 12.387 392 HH12 ARG 594 HH12 ARG 594 -4.775 -2.264 13.589 393 HH21 ARG 594 HH21 ARG 594 -1.791 -3.732 12.315 394 HH22 ARG 594 HH22 ARG 594 -2.422 -2.727 13.555 395 H VAL 595 HN VAL 595 -6.655 -3.412 5.614 396 HA VAL 595 HA VAL 595 -4.341 -1.801 5.806 397 HB VAL 595 HB VAL 595 -6.104 -1.762 3.377 398 HG11 VAL 595 HG11 VAL 595 -4.048 -1.677 2.141 399 HG12 VAL 595 HG12 VAL 595 -3.157 -1.670 3.661 400 HG13 VAL 595 HG13 VAL 595 -4.249 -0.335 3.269 401 HG21 VAL 595 HG21 VAL 595 -6.004 -4.118 3.995 402 HG22 VAL 595 HG22 VAL 595 -4.252 -4.006 4.113 403 HG23 VAL 595 HG23 VAL 595 -5.040 -3.818 2.545 404 H VAL 596 HN VAL 596 -7.761 -1.141 5.551 405 HA VAL 596 HA VAL 596 -7.680 1.623 5.054 406 HB VAL 596 HB VAL 596 -9.724 0.416 6.947 407 HG11 VAL 596 HG11 VAL 596 -11.202 2.048 5.826 408 HG12 VAL 596 HG12 VAL 596 -9.792 2.576 4.917 409 HG13 VAL 596 HG13 VAL 596 -9.836 2.813 6.676 410 HG21 VAL 596 HG21 VAL 596 -9.880 0.339 3.936 411 HG22 VAL 596 HG22 VAL 596 -11.134 -0.174 5.064 412 HG23 VAL 596 HG23 VAL 596 -9.610 -1.055 4.979 413 H HIS 597 HN HIS 597 -7.404 -0.151 8.128 414 HA HIS 597 HA HIS 597 -7.295 2.164 9.756 415 HB2 HIS 597 HB2 HIS 597 -6.372 -0.682 10.202 416 HB3 HIS 597 HB1 HIS 597 -6.239 0.563 11.435 417 HD1 HIS 597 HD1 HIS 597 -8.853 -1.554 9.629 418 HD2 HIS 597 HD2 HIS 597 -8.575 1.214 12.727 419 HE1 HIS 597 HE1 HIS 597 -11.001 -1.675 10.842 420 H ILE 598 HN ILE 598 -5.007 0.419 7.880 421 HA ILE 598 HA ILE 598 -2.655 1.420 9.036 422 HB ILE 598 HB ILE 598 -3.107 0.414 6.200 423 HG12 ILE 598 HG12 ILE 598 -2.076 -1.029 8.654 424 HG13 ILE 598 HG11 ILE 598 -3.665 -1.244 7.939 425 HG21 ILE 598 HG21 ILE 598 -0.538 0.814 7.719 426 HG22 ILE 598 HG22 ILE 598 -1.099 1.705 6.286 427 HG23 ILE 598 HG23 ILE 598 -0.722 -0.018 6.171 428 HD11 ILE 598 HD11 ILE 598 -2.310 -3.076 7.269 429 HD12 ILE 598 HD12 ILE 598 -0.996 -2.011 6.786 430 HD13 ILE 598 HD13 ILE 598 -2.473 -2.053 5.839 431 H ILE 599 HN ILE 599 -4.606 2.531 6.237 432 HA ILE 599 HA ILE 599 -2.982 4.812 5.765 433 HB ILE 599 HB ILE 599 -5.890 4.343 4.974 434 HG12 ILE 599 HG12 ILE 599 -4.915 4.486 2.616 435 HG13 ILE 599 HG11 ILE 599 -3.333 4.385 3.364 436 HG21 ILE 599 HG21 ILE 599 -5.679 6.699 5.285 437 HG22 ILE 599 HG22 ILE 599 -5.750 6.363 3.552 438 HG23 ILE 599 HG23 ILE 599 -4.207 6.744 4.321 439 HD11 ILE 599 HD11 ILE 599 -3.829 2.206 4.195 440 HD12 ILE 599 HD12 ILE 599 -4.171 2.266 2.456 441 HD13 ILE 599 HD13 ILE 599 -5.488 2.343 3.635 442 H GLN 600 HN GLN 600 -5.865 4.301 7.764 443 HA GLN 600 HA GLN 600 -6.395 6.912 8.525 444 HB2 GLN 600 HB2 GLN 600 -6.679 4.485 10.274 445 HB3 GLN 600 HB1 GLN 600 -7.472 6.035 10.509 446 HG2 GLN 600 HG2 GLN 600 -8.434 5.717 8.250 447 HG3 GLN 600 HG1 GLN 600 -7.904 4.038 8.336 448 HE21 GLN 600 HE21 GLN 600 -10.089 6.374 9.344 449 HE22 GLN 600 HE22 GLN 600 -11.159 5.361 10.259 450 H SER 601 HN SER 601 -3.896 4.828 9.592 451 HA SER 601 HA SER 601 -3.210 5.971 12.023 452 HB2 SER 601 HB2 SER 601 -2.259 3.856 11.022 453 HB3 SER 601 HB1 SER 601 -1.266 4.892 9.991 454 HG SER 601 HG SER 601 0.035 5.213 11.593 455 H ARG 602 HN ARG 602 -2.221 6.911 8.744 456 HA ARG 602 HA ARG 602 -0.867 9.245 9.896 457 HB2 ARG 602 HB2 ARG 602 0.400 7.939 8.238 458 HB3 ARG 602 HB1 ARG 602 -0.860 8.249 7.052 459 HG2 ARG 602 HG2 ARG 602 -0.421 10.712 7.402 460 HG3 ARG 602 HG1 ARG 602 1.018 10.242 8.301 461 HD2 ARG 602 HD2 ARG 602 1.794 8.996 6.339 462 HD3 ARG 602 HD1 ARG 602 0.356 9.533 5.470 463 HE ARG 602 HE ARG 602 2.458 11.312 6.473 464 HH11 ARG 602 HH11 ARG 602 -0.303 10.961 4.351 465 HH12 ARG 602 HH12 ARG 602 0.346 11.838 3.039 466 HH21 ARG 602 HH21 ARG 602 3.347 12.710 4.669 467 HH22 ARG 602 HH22 ARG 602 2.460 12.837 3.232 468 H GLU 603 HN GLU 603 -3.513 8.306 7.820 469 HA GLU 603 HA GLU 603 -4.073 11.118 7.171 470 HB2 GLU 603 HB2 GLU 603 -5.165 8.594 5.948 471 HB3 GLU 603 HB1 GLU 603 -5.565 10.208 5.413 472 HG2 GLU 603 HG2 GLU 603 -2.874 8.836 5.253 473 HG3 GLU 603 HG1 GLU 603 -3.958 9.172 3.911 474 HA PRO 604 HA PRO 604 -7.276 10.335 10.188 475 HB2 PRO 604 HB2 PRO 604 -7.400 12.752 11.268 476 HB3 PRO 604 HB1 PRO 604 -5.986 11.685 11.494 477 HG2 PRO 604 HG2 PRO 604 -6.275 13.990 9.599 478 HG3 PRO 604 HG1 PRO 604 -4.936 13.621 10.701 479 HD2 PRO 604 HD2 PRO 604 -5.028 12.926 8.032 480 HD3 PRO 604 HD1 PRO 604 -4.029 12.102 9.250 481 H SER 605 HN SER 605 -7.124 12.206 7.418 482 HA SER 605 HA SER 605 -9.748 13.350 7.492 483 HB2 SER 605 HB2 SER 605 -7.893 14.306 6.124 484 HB3 SER 605 HB1 SER 605 -7.926 12.855 5.125 485 HG SER 605 HG SER 605 -10.084 14.666 5.483 486 H LEU 606 HN LEU 606 -8.352 10.318 6.568 487 HA LEU 606 HA LEU 606 -10.661 9.483 5.147 488 HB2 LEU 606 HB2 LEU 606 -8.490 8.560 4.588 489 HB3 LEU 606 HB1 LEU 606 -8.284 7.909 6.190 490 HG LEU 606 HG LEU 606 -10.562 6.964 4.432 491 HD11 LEU 606 HD11 LEU 606 -7.731 5.929 4.465 492 HD12 LEU 606 HD12 LEU 606 -8.506 6.766 3.117 493 HD13 LEU 606 HD13 LEU 606 -9.096 5.185 3.634 494 HD21 LEU 606 HD21 LEU 606 -8.900 5.458 6.402 495 HD22 LEU 606 HD22 LEU 606 -10.516 5.038 5.805 496 HD23 LEU 606 HD23 LEU 606 -10.277 6.406 6.913 497 H ARG 607 HN ARG 607 -9.525 9.268 8.446 498 HA ARG 607 HA ARG 607 -11.521 7.628 9.573 499 HB2 ARG 607 HB2 ARG 607 -10.322 10.113 10.797 500 HB3 ARG 607 HB1 ARG 607 -11.087 8.801 11.668 501 HG2 ARG 607 HG2 ARG 607 -9.320 7.343 11.191 502 HG3 ARG 607 HG1 ARG 607 -8.576 8.462 10.052 503 HD2 ARG 607 HD2 ARG 607 -8.472 10.095 12.088 504 HD3 ARG 607 HD1 ARG 607 -8.881 8.698 13.069 505 HE ARG 607 HE ARG 607 -6.641 8.004 11.584 506 HH11 ARG 607 HH11 ARG 607 -7.435 10.314 14.189 507 HH12 ARG 607 HH12 ARG 607 -5.819 10.438 14.696 508 HH21 ARG 607 HH21 ARG 607 -4.498 8.210 12.323 509 HH22 ARG 607 HH22 ARG 607 -4.122 9.239 13.652 510 H ASP 608 HN ASP 608 -11.407 10.958 8.609 511 HA ASP 608 HA ASP 608 -13.855 11.830 9.720 512 HB2 ASP 608 HB2 ASP 608 -12.132 13.428 9.220 513 HB3 ASP 608 HB1 ASP 608 -12.089 12.931 7.537 514 H SER 609 HN SER 609 -13.055 10.118 6.851 515 HA SER 609 HA SER 609 -15.685 10.550 5.679 516 HB2 SER 609 HB2 SER 609 -13.570 10.565 4.240 517 HB3 SER 609 HB1 SER 609 -13.346 8.873 4.654 518 HG SER 609 HG SER 609 -14.350 9.115 2.648 519 H ASN 610 HN ASN 610 -16.201 8.047 4.663 520 HA ASN 610 HA ASN 610 -16.769 6.575 7.105 521 HB2 ASN 610 HB2 ASN 610 -17.819 6.281 4.295 522 HB3 ASN 610 HB1 ASN 610 -18.147 5.096 5.546 523 HD21 ASN 610 HD21 ASN 610 -18.748 8.295 4.414 524 HD22 ASN 610 HD22 ASN 610 -20.060 8.624 5.489 525 HA PRO 611 HA PRO 611 -13.418 3.706 6.304 526 HB2 PRO 611 HB2 PRO 611 -14.366 1.520 7.654 527 HB3 PRO 611 HB1 PRO 611 -13.663 2.926 8.464 528 HG2 PRO 611 HG2 PRO 611 -16.545 2.259 7.998 529 HG3 PRO 611 HG1 PRO 611 -15.771 2.851 9.474 530 HD2 PRO 611 HD2 PRO 611 -17.132 4.503 7.853 531 HD3 PRO 611 HD1 PRO 611 -15.653 5.037 8.684 532 H ASP 612 HN ASP 612 -16.537 3.333 5.252 533 HA ASP 612 HA ASP 612 -16.436 0.876 3.814 534 HB2 ASP 612 HB2 ASP 612 -18.488 2.187 4.416 535 HB3 ASP 612 HB1 ASP 612 -18.040 3.344 3.190 536 H GLU 613 HN GLU 613 -15.519 4.134 3.290 537 HA GLU 613 HA GLU 613 -14.454 3.537 0.626 538 HB2 GLU 613 HB2 GLU 613 -15.954 5.423 0.498 539 HB3 GLU 613 HB1 GLU 613 -15.196 6.198 1.884 540 HG2 GLU 613 HG2 GLU 613 -13.132 6.457 0.546 541 HG3 GLU 613 HG1 GLU 613 -13.968 5.752 -0.832 542 H ILE 614 HN ILE 614 -12.450 3.044 0.713 543 HA ILE 614 HA ILE 614 -10.652 4.663 2.374 544 HB ILE 614 HB ILE 614 -10.416 2.447 3.208 545 HG12 ILE 614 HG12 ILE 614 -8.211 3.176 1.282 546 HG13 ILE 614 HG11 ILE 614 -8.246 3.386 3.024 547 HG21 ILE 614 HG21 ILE 614 -9.982 0.521 1.790 548 HG22 ILE 614 HG22 ILE 614 -10.245 1.638 0.430 549 HG23 ILE 614 HG23 ILE 614 -11.579 1.292 1.551 550 HD11 ILE 614 HD11 ILE 614 -8.057 0.969 3.313 551 HD12 ILE 614 HD12 ILE 614 -6.719 1.598 2.333 552 HD13 ILE 614 HD13 ILE 614 -8.068 0.781 1.567 553 H GLU 615 HN GLU 615 -9.246 5.769 1.313 554 HA GLU 615 HA GLU 615 -8.967 5.181 -1.514 555 HB2 GLU 615 HB2 GLU 615 -8.733 7.890 -0.186 556 HB3 GLU 615 HB1 GLU 615 -8.549 7.571 -1.903 557 HG2 GLU 615 HG2 GLU 615 -10.880 6.750 -1.936 558 HG3 GLU 615 HG1 GLU 615 -11.041 7.276 -0.265 559 H ILE 616 HN ILE 616 -7.085 4.376 -1.898 560 HA ILE 616 HA ILE 616 -4.934 4.944 -0.022 561 HB ILE 616 HB ILE 616 -4.903 2.908 -2.279 562 HG12 ILE 616 HG12 ILE 616 -5.484 2.492 0.661 563 HG13 ILE 616 HG11 ILE 616 -6.692 2.444 -0.613 564 HG21 ILE 616 HG21 ILE 616 -2.701 3.644 -1.479 565 HG22 ILE 616 HG22 ILE 616 -3.020 1.968 -1.023 566 HG23 ILE 616 HG23 ILE 616 -3.172 3.250 0.176 567 HD11 ILE 616 HD11 ILE 616 -4.363 0.568 -0.302 568 HD12 ILE 616 HD12 ILE 616 -5.561 0.508 -1.595 569 HD13 ILE 616 HD13 ILE 616 -6.048 0.209 0.074 570 H ASP 617 HN ASP 617 -3.798 6.606 -0.476 571 HA ASP 617 HA ASP 617 -3.502 7.503 -3.237 572 HB2 ASP 617 HB2 ASP 617 -4.186 9.060 -1.348 573 HB3 ASP 617 HB1 ASP 617 -2.555 8.858 -0.718 574 H PHE 618 HN PHE 618 -1.877 6.332 -4.133 575 HA PHE 618 HA PHE 618 0.264 5.392 -2.536 576 HB2 PHE 618 HB2 PHE 618 -0.188 5.241 -5.502 577 HB3 PHE 618 HB1 PHE 618 1.203 4.529 -4.692 578 HD1 PHE 618 HD1 PHE 618 0.990 2.573 -3.325 579 HD2 PHE 618 HD2 PHE 618 -2.424 4.323 -5.163 580 HE1 PHE 618 HE1 PHE 618 -0.310 0.539 -2.846 581 HE2 PHE 618 HE2 PHE 618 -3.720 2.294 -4.687 582 HZ PHE 618 HZ PHE 618 -2.672 0.408 -3.525 583 H GLU 619 HN GLU 619 -0.188 8.388 -3.820 584 HA GLU 619 HA GLU 619 2.629 8.818 -4.484 585 HB2 GLU 619 HB2 GLU 619 0.181 10.512 -4.852 586 HB3 GLU 619 HB1 GLU 619 1.814 11.064 -5.191 587 HG2 GLU 619 HG2 GLU 619 0.462 8.735 -6.476 588 HG3 GLU 619 HG1 GLU 619 0.622 10.375 -7.140 589 H THR 620 HN THR 620 0.050 10.215 -2.532 590 HA THR 620 HA THR 620 1.918 12.019 -1.311 591 HB THR 620 HB THR 620 -0.958 12.022 -0.580 592 HG1 THR 620 HG1 THR 620 -1.085 11.517 -2.794 593 HG21 THR 620 HG21 THR 620 0.956 13.998 -1.689 594 HG22 THR 620 HG22 THR 620 0.709 13.740 0.055 595 HG23 THR 620 HG23 THR 620 -0.607 14.389 -0.964 596 H LEU 621 HN LEU 621 1.001 8.931 -0.684 597 HA LEU 621 HA LEU 621 0.901 9.181 2.193 598 HB2 LEU 621 HB2 LEU 621 0.768 6.919 0.265 599 HB3 LEU 621 HB1 LEU 621 1.301 6.578 1.899 600 HG LEU 621 HG LEU 621 -1.370 7.847 1.241 601 HD11 LEU 621 HD11 LEU 621 -2.295 5.624 1.704 602 HD12 LEU 621 HD12 LEU 621 -0.667 4.981 1.915 603 HD13 LEU 621 HD13 LEU 621 -1.191 5.548 0.328 604 HD21 LEU 621 HD21 LEU 621 -1.862 7.180 3.540 605 HD22 LEU 621 HD22 LEU 621 -0.471 8.282 3.486 606 HD23 LEU 621 HD23 LEU 621 -0.224 6.536 3.654 607 H LYS 622 HN LYS 622 2.535 8.767 3.539 608 HA LYS 622 HA LYS 622 5.196 8.984 2.596 609 HB2 LYS 622 HB2 LYS 622 3.995 8.325 5.276 610 HB3 LYS 622 HB1 LYS 622 5.728 8.300 5.031 611 HG2 LYS 622 HG2 LYS 622 4.009 10.716 4.503 612 HG3 LYS 622 HG1 LYS 622 4.762 10.398 6.057 613 HD2 LYS 622 HD2 LYS 622 6.234 10.737 3.438 614 HD3 LYS 622 HD1 LYS 622 6.060 11.976 4.676 615 HE2 LYS 622 HE2 LYS 622 7.514 9.327 4.970 616 HE3 LYS 622 HE1 LYS 622 8.235 10.924 4.841 617 HZ1 LYS 622 HZ1 LYS 622 7.213 11.514 6.974 618 HZ2 LYS 622 HZ2 LYS 622 8.173 10.157 7.143 619 HZ3 LYS 622 HZ3 LYS 622 6.514 9.997 7.079 620 HA PRO 623 HA PRO 623 6.460 4.731 1.691 621 HB2 PRO 623 HB2 PRO 623 8.774 4.838 3.355 622 HB3 PRO 623 HB1 PRO 623 8.718 5.223 1.638 623 HG2 PRO 623 HG2 PRO 623 8.502 6.970 4.033 624 HG3 PRO 623 HG1 PRO 623 9.372 7.286 2.506 625 HD2 PRO 623 HD2 PRO 623 7.113 8.506 2.962 626 HD3 PRO 623 HD1 PRO 623 7.348 7.747 1.370 627 H THR 624 HN THR 624 6.373 6.042 4.899 628 HA THR 624 HA THR 624 6.752 3.800 6.480 629 HB THR 624 HB THR 624 5.048 6.054 7.344 630 HG1 THR 624 HG1 THR 624 7.783 6.355 6.528 631 HG21 THR 624 HG21 THR 624 6.251 4.390 8.860 632 HG22 THR 624 HG22 THR 624 6.593 6.098 9.165 633 HG23 THR 624 HG23 THR 624 7.752 5.129 8.264 634 H THR 625 HN THR 625 3.872 5.363 5.181 635 HA THR 625 HA THR 625 2.145 3.437 6.420 636 HB THR 625 HB THR 625 1.558 5.620 4.435 637 HG1 THR 625 HG1 THR 625 1.877 5.597 7.246 638 HG21 THR 625 HG21 THR 625 -0.210 4.124 6.386 639 HG22 THR 625 HG22 THR 625 -0.218 3.964 4.627 640 HG23 THR 625 HG23 THR 625 -0.731 5.478 5.379 641 H LEU 626 HN LEU 626 3.243 4.353 3.173 642 HA LEU 626 HA LEU 626 1.778 2.657 1.630 643 HB2 LEU 626 HB2 LEU 626 4.570 3.662 1.286 644 HB3 LEU 626 HB1 LEU 626 3.798 2.677 0.063 645 HG LEU 626 HG LEU 626 2.716 5.309 1.043 646 HD11 LEU 626 HD11 LEU 626 4.887 5.586 -0.098 647 HD12 LEU 626 HD12 LEU 626 3.563 6.184 -1.104 648 HD13 LEU 626 HD13 LEU 626 4.299 4.619 -1.451 649 HD21 LEU 626 HD21 LEU 626 2.043 3.577 -1.325 650 HD22 LEU 626 HD22 LEU 626 1.353 5.163 -0.965 651 HD23 LEU 626 HD23 LEU 626 1.036 3.805 0.110 652 H ARG 627 HN ARG 627 4.993 2.031 3.040 653 HA ARG 627 HA ARG 627 5.318 -0.572 2.046 654 HB2 ARG 627 HB2 ARG 627 7.153 0.816 2.947 655 HB3 ARG 627 HB1 ARG 627 6.472 0.649 4.554 656 HG2 ARG 627 HG2 ARG 627 6.803 -1.823 4.344 657 HG3 ARG 627 HG1 ARG 627 7.674 -1.505 2.842 658 HD2 ARG 627 HD2 ARG 627 9.247 -0.083 4.071 659 HD3 ARG 627 HD1 ARG 627 8.356 -0.431 5.553 660 HE ARG 627 HE ARG 627 9.555 -2.595 4.007 661 HH11 ARG 627 HH11 ARG 627 9.301 -0.817 7.109 662 HH12 ARG 627 HH12 ARG 627 10.383 -1.818 7.922 663 HH21 ARG 627 HH21 ARG 627 11.101 -3.956 5.199 664 HH22 ARG 627 HH22 ARG 627 11.455 -3.587 6.823 665 H GLU 628 HN GLU 628 3.702 0.696 4.887 666 HA GLU 628 HA GLU 628 3.559 -1.755 6.285 667 HB2 GLU 628 HB2 GLU 628 3.335 0.610 7.219 668 HB3 GLU 628 HB1 GLU 628 1.707 0.612 6.577 669 HG2 GLU 628 HG2 GLU 628 1.729 0.116 8.954 670 HG3 GLU 628 HG1 GLU 628 1.116 -1.248 8.025 671 H LEU 629 HN LEU 629 1.534 -0.193 3.881 672 HA LEU 629 HA LEU 629 -0.772 -1.927 3.875 673 HB2 LEU 629 HB2 LEU 629 0.453 -0.866 1.334 674 HB3 LEU 629 HB1 LEU 629 -1.235 -1.067 1.752 675 HG LEU 629 HG LEU 629 0.539 1.099 2.843 676 HD11 LEU 629 HD11 LEU 629 -1.553 1.162 0.679 677 HD12 LEU 629 HD12 LEU 629 0.187 1.350 0.457 678 HD13 LEU 629 HD13 LEU 629 -0.726 2.566 1.354 679 HD21 LEU 629 HD21 LEU 629 -1.323 0.456 4.298 680 HD22 LEU 629 HD22 LEU 629 -2.433 0.713 2.952 681 HD23 LEU 629 HD23 LEU 629 -1.527 2.070 3.620 682 H GLU 630 HN GLU 630 2.275 -1.900 2.082 683 HA GLU 630 HA GLU 630 1.918 -4.218 0.573 684 HB2 GLU 630 HB2 GLU 630 3.657 -2.451 0.168 685 HB3 GLU 630 HB1 GLU 630 4.565 -3.101 1.525 686 HG2 GLU 630 HG2 GLU 630 4.633 -5.291 0.329 687 HG3 GLU 630 HG1 GLU 630 3.916 -4.494 -1.062 688 H ARG 631 HN ARG 631 3.416 -3.711 3.692 689 HA ARG 631 HA ARG 631 4.421 -6.311 4.165 690 HB2 ARG 631 HB2 ARG 631 3.435 -4.322 6.226 691 HB3 ARG 631 HB1 ARG 631 4.410 -5.740 6.574 692 HG2 ARG 631 HG2 ARG 631 6.244 -4.818 5.285 693 HG3 ARG 631 HG1 ARG 631 5.258 -3.417 4.866 694 HD2 ARG 631 HD2 ARG 631 6.666 -2.746 6.650 695 HD3 ARG 631 HD1 ARG 631 5.059 -2.964 7.335 696 HE ARG 631 HE ARG 631 6.712 -5.280 7.510 697 HH11 ARG 631 HH11 ARG 631 5.623 -2.339 9.200 698 HH12 ARG 631 HH12 ARG 631 6.364 -2.719 10.654 699 HH21 ARG 631 HH21 ARG 631 7.760 -5.827 9.544 700 HH22 ARG 631 HH22 ARG 631 7.659 -4.749 10.861 701 H TYR 632 HN TYR 632 1.267 -4.984 4.536 702 HA TYR 632 HA TYR 632 0.332 -7.231 6.057 703 HB2 TYR 632 HB2 TYR 632 -0.795 -5.238 6.564 704 HB3 TYR 632 HB1 TYR 632 -1.141 -4.879 4.866 705 HD1 TYR 632 HD1 TYR 632 -3.059 -5.670 3.870 706 HD2 TYR 632 HD2 TYR 632 -1.925 -7.229 7.637 707 HE1 TYR 632 HE1 TYR 632 -5.169 -6.890 3.962 708 HE2 TYR 632 HE2 TYR 632 -4.043 -8.467 7.777 709 HH TYR 632 HH TYR 632 -6.348 -8.348 6.801 710 H VAL 633 HN VAL 633 -0.172 -6.029 2.762 711 HA VAL 633 HA VAL 633 -1.823 -8.112 1.971 712 HB VAL 633 HB VAL 633 -1.408 -7.479 -0.343 713 HG11 VAL 633 HG11 VAL 633 -1.440 -5.056 1.424 714 HG12 VAL 633 HG12 VAL 633 -2.845 -6.006 0.926 715 HG13 VAL 633 HG13 VAL 633 -1.907 -5.107 -0.274 716 HG21 VAL 633 HG21 VAL 633 0.276 -5.734 -0.933 717 HG22 VAL 633 HG22 VAL 633 0.990 -7.249 -0.374 718 HG23 VAL 633 HG23 VAL 633 0.902 -5.868 0.718 719 H LYS 634 HN LYS 634 1.681 -7.860 1.949 720 HA LYS 634 HA LYS 634 2.056 -10.279 0.582 721 HB2 LYS 634 HB2 LYS 634 4.392 -9.994 1.007 722 HB3 LYS 634 HB1 LYS 634 3.660 -8.393 0.832 723 HG2 LYS 634 HG2 LYS 634 3.774 -8.015 3.166 724 HG3 LYS 634 HG1 LYS 634 4.349 -9.654 3.459 725 HD2 LYS 634 HD2 LYS 634 6.248 -8.123 3.499 726 HD3 LYS 634 HD1 LYS 634 6.364 -9.148 2.069 727 HE2 LYS 634 HE2 LYS 634 5.275 -7.297 0.769 728 HE3 LYS 634 HE1 LYS 634 5.395 -6.300 2.208 729 HZ1 LYS 634 HZ1 LYS 634 7.823 -6.599 2.111 730 HZ2 LYS 634 HZ2 LYS 634 7.158 -5.813 0.778 731 HZ3 LYS 634 HZ3 LYS 634 7.625 -7.427 0.626 732 H SER 635 HN SER 635 1.574 -9.516 3.962 733 HA SER 635 HA SER 635 2.312 -12.073 4.921 734 HB2 SER 635 HB2 SER 635 0.468 -10.013 6.144 735 HB3 SER 635 HB1 SER 635 1.146 -11.416 6.977 736 HG SER 635 HG SER 635 2.370 -9.068 6.098 737 H CYS 636 HN CYS 636 -0.738 -10.680 3.786 738 HA CYS 636 HA CYS 636 -2.346 -12.879 4.635 739 HB2 CYS 636 HB2 CYS 636 -3.186 -10.550 4.349 740 HB3 CYS 636 HB1 CYS 636 -2.966 -10.717 2.616 741 HG CYS 636 HG CYS 636 -4.756 -13.145 2.838 742 H LEU 637 HN LEU 637 -0.940 -11.835 1.581 743 HA LEU 637 HA LEU 637 -1.916 -14.076 0.074 744 HB2 LEU 637 HB2 LEU 637 0.150 -11.968 -0.429 745 HB3 LEU 637 HB1 LEU 637 -0.300 -13.164 -1.631 746 HG LEU 637 HG LEU 637 -2.146 -11.061 -0.465 747 HD11 LEU 637 HD11 LEU 637 -0.806 -11.214 -3.134 748 HD12 LEU 637 HD12 LEU 637 -0.431 -10.092 -1.822 749 HD13 LEU 637 HD13 LEU 637 -1.998 -10.019 -2.619 750 HD21 LEU 637 HD21 LEU 637 -3.339 -13.075 -1.137 751 HD22 LEU 637 HD22 LEU 637 -2.530 -13.037 -2.704 752 HD23 LEU 637 HD23 LEU 637 -3.654 -11.752 -2.260 753 H GLN 638 HN GLN 638 0.479 -13.637 2.332 754 HA GLN 638 HA GLN 638 2.356 -14.469 2.934 755 HB2 GLN 638 HB2 GLN 638 0.752 -16.361 3.304 756 HB3 GLN 638 HB1 GLN 638 1.333 -17.059 1.796 757 HG2 GLN 638 HG2 GLN 638 3.509 -17.325 2.661 758 HG3 GLN 638 HG1 GLN 638 3.097 -16.344 4.069 759 HE21 GLN 638 HE21 GLN 638 2.778 -19.455 2.576 760 HE22 GLN 638 HE22 GLN 638 2.150 -20.257 3.964 761 H LYS 639 HN LYS 639 3.507 -13.227 1.621 762 HA LYS 639 HA LYS 639 4.310 -14.031 -1.020 763 HB2 LYS 639 HB2 LYS 639 3.961 -11.655 -0.090 764 HB3 LYS 639 HB1 LYS 639 5.552 -11.834 0.617 765 HG2 LYS 639 HG2 LYS 639 5.754 -10.607 -1.438 766 HG3 LYS 639 HG1 LYS 639 6.484 -12.199 -1.656 767 HD2 LYS 639 HD2 LYS 639 5.167 -11.605 -3.610 768 HD3 LYS 639 HD1 LYS 639 4.412 -12.964 -2.789 769 HE2 LYS 639 HE2 LYS 639 2.828 -11.362 -1.711 770 HE3 LYS 639 HE1 LYS 639 3.578 -10.059 -2.632 771 HZ1 LYS 639 HZ1 LYS 639 2.965 -11.312 -4.644 772 HZ2 LYS 639 HZ2 LYS 639 1.681 -10.688 -3.821 773 HZ3 LYS 639 HZ3 LYS 639 2.032 -12.361 -3.706 774 H LYS 640 HN LYS 640 5.130 -15.297 1.737 775 HA LYS 640 HA LYS 640 7.973 -15.370 1.578 776 HB2 LYS 640 HB2 LYS 640 6.712 -15.650 3.716 777 HB3 LYS 640 HB1 LYS 640 6.082 -17.166 3.109 778 HG2 LYS 640 HG2 LYS 640 7.900 -17.529 4.702 779 HG3 LYS 640 HG1 LYS 640 8.295 -18.136 3.103 780 HD2 LYS 640 HD2 LYS 640 10.247 -17.082 4.029 781 HD3 LYS 640 HD1 LYS 640 9.661 -16.094 2.708 782 HE2 LYS 640 HE2 LYS 640 9.006 -15.505 5.600 783 HE3 LYS 640 HE1 LYS 640 10.461 -14.898 4.827 784 HZ1 LYS 640 HZ1 LYS 640 8.775 -13.259 4.819 785 HZ2 LYS 640 HZ2 LYS 640 7.648 -14.227 4.078 786 HZ3 LYS 640 HZ3 LYS 640 9.040 -13.722 3.237 787 H GLN 641 HN GLN 641 5.635 -16.627 -0.304 788 HA GLN 641 HA GLN 641 6.572 -19.109 -1.214 789 HB2 GLN 641 HB2 GLN 641 5.419 -16.815 -2.841 790 HB3 GLN 641 HB1 GLN 641 5.477 -18.502 -3.340 791 HG2 GLN 641 HG2 GLN 641 3.963 -19.132 -1.631 792 HG3 GLN 641 HG1 GLN 641 4.001 -17.525 -0.916 793 HE21 GLN 641 HE21 GLN 641 1.854 -17.208 -1.070 794 HE22 GLN 641 HE22 GLN 641 0.984 -17.009 -2.540 795 H ARG 642 HN ARG 642 7.597 -15.806 -1.716 796 HA ARG 642 HA ARG 642 9.725 -16.541 -3.527 797 HB2 ARG 642 HB2 ARG 642 9.042 -13.899 -2.206 798 HB3 ARG 642 HB1 ARG 642 10.324 -14.124 -3.383 799 HG2 ARG 642 HG2 ARG 642 8.679 -14.745 -5.068 800 HG3 ARG 642 HG1 ARG 642 7.390 -14.561 -3.879 801 HD2 ARG 642 HD2 ARG 642 7.925 -12.198 -3.643 802 HD3 ARG 642 HD1 ARG 642 9.251 -12.365 -4.789 803 HE ARG 642 HE ARG 642 6.964 -13.285 -6.037 804 HH11 ARG 642 HH11 ARG 642 8.059 -10.194 -4.690 805 HH12 ARG 642 HH12 ARG 642 7.268 -9.219 -5.818 806 HH21 ARG 642 HH21 ARG 642 5.845 -11.960 -7.619 807 HH22 ARG 642 HH22 ARG 642 5.964 -10.267 -7.545 808 H LYS 643 HN LYS 643 10.597 -18.041 -2.052 809 HA LYS 643 HA LYS 643 12.078 -16.849 0.166 810 HB2 LYS 643 HB2 LYS 643 12.018 -19.131 1.198 811 HB3 LYS 643 HB1 LYS 643 10.437 -18.392 1.014 812 HG2 LYS 643 HG2 LYS 643 10.148 -19.739 -1.093 813 HG3 LYS 643 HG1 LYS 643 11.633 -20.579 -0.677 814 HD2 LYS 643 HD2 LYS 643 9.217 -20.490 1.136 815 HD3 LYS 643 HD1 LYS 643 9.448 -21.738 -0.071 816 HE2 LYS 643 HE2 LYS 643 10.156 -22.630 2.026 817 HE3 LYS 643 HE1 LYS 643 11.607 -22.321 1.081 818 HZ1 LYS 643 HZ1 LYS 643 10.572 -20.506 3.197 819 HZ2 LYS 643 HZ2 LYS 643 12.092 -20.419 2.439 820 HZ3 LYS 643 HZ3 LYS 643 11.711 -21.690 3.448 821 HA PRO 644 HA PRO 644 15.631 -18.352 -2.181 822 HB2 PRO 644 HB2 PRO 644 17.339 -17.766 0.081 823 HB3 PRO 644 HB1 PRO 644 17.199 -16.867 -1.429 824 HG2 PRO 644 HG2 PRO 644 16.388 -15.890 0.995 825 HG3 PRO 644 HG1 PRO 644 15.689 -15.384 -0.550 826 HD2 PRO 644 HD2 PRO 644 14.635 -17.339 1.456 827 HD3 PRO 644 HD1 PRO 644 13.783 -16.096 0.507 Start of MODEL 4 1 H1 LYS 290 HT1 LYS 290 -2.191 14.537 -14.555 2 H2 LYS 290 HT2 LYS 290 -1.934 13.033 -13.816 3 H3 LYS 290 HT3 LYS 290 -0.851 14.280 -13.559 4 HA LYS 290 HA LYS 290 -2.473 15.542 -12.380 5 HB2 LYS 290 HB2 LYS 290 -4.161 13.058 -12.769 6 HB3 LYS 290 HB1 LYS 290 -4.586 14.398 -11.730 7 HG2 LYS 290 HG2 LYS 290 -4.791 15.873 -13.620 8 HG3 LYS 290 HG1 LYS 290 -4.192 14.621 -14.702 9 HD2 LYS 290 HD2 LYS 290 -6.743 14.460 -13.094 10 HD3 LYS 290 HD1 LYS 290 -6.653 14.879 -14.800 11 HE2 LYS 290 HE2 LYS 290 -5.874 12.230 -13.547 12 HE3 LYS 290 HE1 LYS 290 -7.264 12.548 -14.568 13 HZ1 LYS 290 HZ1 LYS 290 -4.415 12.667 -15.417 14 HZ2 LYS 290 HZ2 LYS 290 -5.722 13.077 -16.398 15 HZ3 LYS 290 HZ3 LYS 290 -5.556 11.507 -15.841 16 H VAL 291 HN VAL 291 -2.967 14.952 -10.035 17 HA VAL 291 HA VAL 291 -0.692 13.487 -9.168 18 HB VAL 291 HB VAL 291 -1.341 14.119 -6.855 19 HG11 VAL 291 HG11 VAL 291 -1.342 16.368 -8.856 20 HG12 VAL 291 HG12 VAL 291 0.077 15.587 -8.154 21 HG13 VAL 291 HG13 VAL 291 -1.004 16.534 -7.134 22 HG21 VAL 291 HG21 VAL 291 -3.668 15.516 -8.194 23 HG22 VAL 291 HG22 VAL 291 -3.202 15.698 -6.506 24 HG23 VAL 291 HG23 VAL 291 -3.782 14.140 -7.098 25 H ALA 292 HN ALA 292 -0.485 11.535 -8.688 26 HA ALA 292 HA ALA 292 -0.757 9.398 -8.188 27 HB1 ALA 292 HB1 ALA 292 -1.402 10.311 -6.001 28 HB2 ALA 292 HB2 ALA 292 -2.185 8.771 -6.344 29 HB3 ALA 292 HB3 ALA 292 -3.091 10.275 -6.497 30 HA PRO 293 HA PRO 293 -3.920 8.333 -11.288 31 HB2 PRO 293 HB2 PRO 293 -1.875 6.373 -12.060 32 HB3 PRO 293 HB1 PRO 293 -2.645 7.614 -13.051 33 HG2 PRO 293 HG2 PRO 293 -0.061 7.811 -12.328 34 HG3 PRO 293 HG1 PRO 293 -1.109 9.239 -12.445 35 HD2 PRO 293 HD2 PRO 293 -0.288 7.689 -10.027 36 HD3 PRO 293 HD1 PRO 293 -0.322 9.454 -10.275 37 H LEU 294 HN LEU 294 -1.909 6.540 -9.111 38 HA LEU 294 HA LEU 294 -3.608 4.210 -9.109 39 HB2 LEU 294 HB2 LEU 294 -1.166 4.977 -7.522 40 HB3 LEU 294 HB1 LEU 294 -2.092 3.534 -7.181 41 HG LEU 294 HG LEU 294 -0.739 4.050 -9.839 42 HD11 LEU 294 HD11 LEU 294 0.984 2.511 -9.044 43 HD12 LEU 294 HD12 LEU 294 0.182 2.382 -7.486 44 HD13 LEU 294 HD13 LEU 294 0.903 3.915 -7.981 45 HD21 LEU 294 HD21 LEU 294 -1.761 1.507 -8.578 46 HD22 LEU 294 HD22 LEU 294 -1.124 1.710 -10.208 47 HD23 LEU 294 HD23 LEU 294 -2.665 2.444 -9.770 48 H LYS 295 HN LYS 295 -5.561 4.895 -8.408 49 HA LYS 295 HA LYS 295 -5.696 5.719 -5.595 50 HB2 LYS 295 HB2 LYS 295 -7.706 6.368 -7.765 51 HB3 LYS 295 HB1 LYS 295 -7.785 6.862 -6.086 52 HG2 LYS 295 HG2 LYS 295 -5.760 8.233 -6.451 53 HG3 LYS 295 HG1 LYS 295 -5.827 7.794 -8.163 54 HD2 LYS 295 HD2 LYS 295 -8.121 8.729 -8.269 55 HD3 LYS 295 HD1 LYS 295 -7.949 9.264 -6.600 56 HE2 LYS 295 HE2 LYS 295 -6.309 10.151 -8.968 57 HE3 LYS 295 HE1 LYS 295 -7.502 11.101 -8.086 58 HZ1 LYS 295 HZ1 LYS 295 -4.934 10.091 -7.034 59 HZ2 LYS 295 HZ2 LYS 295 -6.086 10.932 -6.128 60 HZ3 LYS 295 HZ3 LYS 295 -5.294 11.699 -7.406 61 H ILE 296 HN ILE 296 -6.738 4.273 -4.415 62 HA ILE 296 HA ILE 296 -8.477 2.384 -5.828 63 HB ILE 296 HB ILE 296 -6.702 1.748 -3.466 64 HG12 ILE 296 HG12 ILE 296 -6.494 0.812 -6.339 65 HG13 ILE 296 HG11 ILE 296 -5.416 1.957 -5.551 66 HG21 ILE 296 HG21 ILE 296 -8.796 0.486 -3.408 67 HG22 ILE 296 HG22 ILE 296 -7.452 -0.589 -3.796 68 HG23 ILE 296 HG23 ILE 296 -8.540 -0.040 -5.073 69 HD11 ILE 296 HD11 ILE 296 -4.416 -0.255 -5.709 70 HD12 ILE 296 HD12 ILE 296 -5.771 -0.938 -4.812 71 HD13 ILE 296 HD13 ILE 296 -4.679 0.198 -4.023 72 H LYS 297 HN LYS 297 -10.464 2.510 -5.176 73 HA LYS 297 HA LYS 297 -11.035 3.352 -2.431 74 HB2 LYS 297 HB2 LYS 297 -12.554 3.871 -4.979 75 HB3 LYS 297 HB1 LYS 297 -13.266 4.073 -3.387 76 HG2 LYS 297 HG2 LYS 297 -11.589 5.766 -2.850 77 HG3 LYS 297 HG1 LYS 297 -10.880 5.571 -4.458 78 HD2 LYS 297 HD2 LYS 297 -12.834 6.388 -5.518 79 HD3 LYS 297 HD1 LYS 297 -13.772 6.260 -4.031 80 HE2 LYS 297 HE2 LYS 297 -11.508 8.181 -4.547 81 HE3 LYS 297 HE1 LYS 297 -13.223 8.574 -4.510 82 HZ1 LYS 297 HZ1 LYS 297 -12.301 9.146 -2.409 83 HZ2 LYS 297 HZ2 LYS 297 -11.531 7.685 -2.253 84 HZ3 LYS 297 HZ3 LYS 297 -13.205 7.745 -2.110 85 H LEU 298 HN LEU 298 -12.273 2.092 -1.274 86 HA LEU 298 HA LEU 298 -13.482 -0.316 -2.501 87 HB2 LEU 298 HB2 LEU 298 -12.118 0.075 0.163 88 HB3 LEU 298 HB1 LEU 298 -13.406 -1.067 0.025 89 HG LEU 298 HG LEU 298 -11.102 -1.977 -0.053 90 HD11 LEU 298 HD11 LEU 298 -13.027 -3.277 -0.834 91 HD12 LEU 298 HD12 LEU 298 -11.640 -3.614 -1.866 92 HD13 LEU 298 HD13 LEU 298 -12.912 -2.531 -2.427 93 HD21 LEU 298 HD21 LEU 298 -10.009 -0.362 -1.541 94 HD22 LEU 298 HD22 LEU 298 -11.068 -0.835 -2.860 95 HD23 LEU 298 HD23 LEU 298 -9.892 -1.977 -2.224 96 H GLY 299 HN GLY 299 -15.637 -0.079 -2.581 97 HA2 GLY 299 HA2 GLY 299 -17.655 -0.122 -1.285 98 HA3 GLY 299 HA1 GLY 299 -16.928 1.054 -0.201 99 H GLY 300 HN GLY 300 -17.556 3.075 -0.443 100 HA2 GLY 300 HA2 GLY 300 -18.243 4.082 -3.056 101 HA3 GLY 300 HA1 GLY 300 -19.558 4.005 -1.893 102 H PHE 301 HN PHE 301 -18.212 6.251 -3.177 103 HA PHE 301 HA PHE 301 -16.725 7.600 -1.106 104 HB2 PHE 301 HB2 PHE 301 -16.098 7.836 -3.475 105 HB3 PHE 301 HB1 PHE 301 -17.672 8.520 -3.834 106 HD1 PHE 301 HD1 PHE 301 -17.845 10.816 -3.971 107 HD2 PHE 301 HD2 PHE 301 -14.730 9.128 -1.615 108 HE1 PHE 301 HE1 PHE 301 -16.937 13.066 -3.563 109 HE2 PHE 301 HE2 PHE 301 -13.820 11.371 -1.203 110 HZ PHE 301 HZ PHE 301 -14.922 13.346 -2.177 111 H ALA 557 HN ALA 557 34.064 -2.236 15.183 112 HA ALA 557 HA ALA 557 31.498 -1.898 16.538 113 HB1 ALA 557 HB1 ALA 557 34.306 -1.195 17.408 114 HB2 ALA 557 HB2 ALA 557 33.405 -2.625 17.910 115 HB3 ALA 557 HB3 ALA 557 32.852 -1.022 18.389 116 H SER 558 HN SER 558 32.998 -0.587 14.098 117 HA SER 558 HA SER 558 32.283 2.157 14.804 118 HB2 SER 558 HB2 SER 558 34.223 1.210 12.685 119 HB3 SER 558 HB1 SER 558 33.912 2.881 13.158 120 HG SER 558 HG SER 558 34.603 2.207 15.313 121 H ALA 559 HN ALA 559 30.665 3.013 13.663 122 HA ALA 559 HA ALA 559 29.592 1.475 11.413 123 HB1 ALA 559 HB1 ALA 559 28.020 1.847 13.253 124 HB2 ALA 559 HB2 ALA 559 27.514 2.736 11.813 125 HB3 ALA 559 HB3 ALA 559 28.298 3.585 13.143 126 H SER 560 HN SER 560 30.036 2.263 9.451 127 HA SER 560 HA SER 560 30.530 5.148 9.222 128 HB2 SER 560 HB2 SER 560 31.899 2.968 7.659 129 HB3 SER 560 HB1 SER 560 32.298 4.685 7.673 130 HG SER 560 HG SER 560 32.909 4.458 9.844 131 H TYR 561 HN TYR 561 28.794 5.885 8.225 132 HA TYR 561 HA TYR 561 27.360 6.417 6.634 133 HB2 TYR 561 HB2 TYR 561 28.781 4.467 4.847 134 HB3 TYR 561 HB1 TYR 561 27.652 5.701 4.322 135 HD1 TYR 561 HD1 TYR 561 28.353 8.158 5.289 136 HD2 TYR 561 HD2 TYR 561 31.010 4.948 4.463 137 HE1 TYR 561 HE1 TYR 561 30.203 9.765 5.027 138 HE2 TYR 561 HE2 TYR 561 32.864 6.535 4.202 139 HH TYR 561 HH TYR 561 32.653 9.727 5.218 140 H ASP 562 HN ASP 562 25.556 5.829 7.371 141 HA ASP 562 HA ASP 562 24.513 3.137 7.219 142 HB2 ASP 562 HB2 ASP 562 23.179 5.775 7.909 143 HB3 ASP 562 HB1 ASP 562 22.327 4.250 7.890 144 H SER 563 HN SER 563 23.480 2.363 5.511 145 HA SER 563 HA SER 563 23.067 4.110 3.171 146 HB2 SER 563 HB2 SER 563 22.713 1.137 3.419 147 HB3 SER 563 HB1 SER 563 22.808 2.070 1.920 148 HG SER 563 HG SER 563 24.982 2.708 3.096 149 H GLU 564 HN GLU 564 21.355 3.307 5.671 150 HA GLU 564 HA GLU 564 19.047 4.420 4.513 151 HB2 GLU 564 HB2 GLU 564 17.670 2.608 4.286 152 HB3 GLU 564 HB1 GLU 564 19.158 2.038 3.649 153 HG2 GLU 564 HG2 GLU 564 18.252 1.359 6.451 154 HG3 GLU 564 HG1 GLU 564 18.056 0.307 5.056 155 H GLU 565 HN GLU 565 17.199 3.972 6.148 156 HA GLU 565 HA GLU 565 18.194 3.824 8.914 157 HB2 GLU 565 HB2 GLU 565 16.020 5.647 7.858 158 HB3 GLU 565 HB1 GLU 565 16.473 5.468 9.536 159 HG2 GLU 565 HG2 GLU 565 18.634 6.461 9.082 160 HG3 GLU 565 HG1 GLU 565 18.224 6.580 7.366 161 H GLU 566 HN GLU 566 15.288 3.986 6.955 162 HA GLU 566 HA GLU 566 14.261 1.579 8.188 163 HB2 GLU 566 HB2 GLU 566 12.055 2.783 8.493 164 HB3 GLU 566 HB1 GLU 566 13.342 3.297 9.575 165 HG2 GLU 566 HG2 GLU 566 13.758 5.191 7.938 166 HG3 GLU 566 HG1 GLU 566 12.244 4.724 7.171 167 H GLU 567 HN GLU 567 12.974 0.410 6.847 168 HA GLU 567 HA GLU 567 13.110 0.674 4.031 169 HB2 GLU 567 HB2 GLU 567 10.970 -0.811 5.588 170 HB3 GLU 567 HB1 GLU 567 11.433 -1.127 3.937 171 HG2 GLU 567 HG2 GLU 567 12.319 -2.886 5.225 172 HG3 GLU 567 HG1 GLU 567 13.688 -1.839 4.869 173 H GLU 568 HN GLU 568 11.019 1.694 6.438 174 HA GLU 568 HA GLU 568 8.772 2.538 4.871 175 HB2 GLU 568 HB2 GLU 568 9.623 2.735 7.709 176 HB3 GLU 568 HB1 GLU 568 8.142 3.464 7.113 177 HG2 GLU 568 HG2 GLU 568 7.211 1.370 6.580 178 HG3 GLU 568 HG1 GLU 568 8.774 0.559 6.688 179 H GLY 569 HN GLY 569 11.619 3.776 4.726 180 HA2 GLY 569 HA2 GLY 569 10.656 6.540 4.668 181 HA3 GLY 569 HA1 GLY 569 12.137 6.193 5.548 182 H LEU 570 HN LEU 570 11.468 4.300 2.801 183 HA LEU 570 HA LEU 570 13.535 5.745 1.338 184 HB2 LEU 570 HB2 LEU 570 12.598 2.880 1.137 185 HB3 LEU 570 HB1 LEU 570 13.758 3.611 0.046 186 HG LEU 570 HG LEU 570 14.168 3.228 3.020 187 HD11 LEU 570 HD11 LEU 570 15.778 1.517 2.366 188 HD12 LEU 570 HD12 LEU 570 15.326 1.738 0.673 189 HD13 LEU 570 HD13 LEU 570 14.148 1.110 1.828 190 HD21 LEU 570 HD21 LEU 570 15.391 5.159 2.160 191 HD22 LEU 570 HD22 LEU 570 16.040 4.177 0.852 192 HD23 LEU 570 HD23 LEU 570 16.502 3.838 2.519 193 HA PRO 571 HA PRO 571 10.320 7.167 -1.433 194 HB2 PRO 571 HB2 PRO 571 12.564 7.077 -3.388 195 HB3 PRO 571 HB1 PRO 571 11.449 8.398 -3.020 196 HG2 PRO 571 HG2 PRO 571 13.964 8.475 -2.138 197 HG3 PRO 571 HG1 PRO 571 12.625 9.053 -1.133 198 HD2 PRO 571 HD2 PRO 571 14.185 6.518 -0.931 199 HD3 PRO 571 HD1 PRO 571 13.491 7.532 0.349 200 H MET 572 HN MET 572 8.960 5.986 -2.581 201 HA MET 572 HA MET 572 9.846 3.343 -3.490 202 HB2 MET 572 HB2 MET 572 7.080 4.428 -3.015 203 HB3 MET 572 HB1 MET 572 7.450 2.807 -3.587 204 HG2 MET 572 HG2 MET 572 8.645 2.342 -1.510 205 HG3 MET 572 HG1 MET 572 8.286 3.969 -0.939 206 HE1 MET 572 HE1 MET 572 5.893 1.527 -2.959 207 HE2 MET 572 HE2 MET 572 5.106 0.704 -1.615 208 HE3 MET 572 HE3 MET 572 6.830 0.465 -1.904 209 H SER 573 HN SER 573 9.690 2.652 -5.462 210 HA SER 573 HA SER 573 9.596 4.670 -7.508 211 HB2 SER 573 HB2 SER 573 11.218 2.760 -7.515 212 HB3 SER 573 HB1 SER 573 9.868 1.647 -7.681 213 HG SER 573 HG SER 573 11.100 2.345 -9.586 214 H TYR 574 HN TYR 574 8.073 4.488 -9.352 215 HA TYR 574 HA TYR 574 5.434 4.184 -8.538 216 HB2 TYR 574 HB2 TYR 574 6.047 5.529 -10.526 217 HB3 TYR 574 HB1 TYR 574 6.491 4.058 -11.386 218 HD1 TYR 574 HD1 TYR 574 4.803 2.644 -12.370 219 HD2 TYR 574 HD2 TYR 574 3.673 5.968 -9.966 220 HE1 TYR 574 HE1 TYR 574 2.472 2.355 -13.076 221 HE2 TYR 574 HE2 TYR 574 1.334 5.686 -10.672 222 HH TYR 574 HH TYR 574 0.154 4.669 -12.662 223 H ASP 575 HN ASP 575 7.666 1.919 -9.974 224 HA ASP 575 HA ASP 575 5.809 -0.123 -10.568 225 HB2 ASP 575 HB2 ASP 575 8.019 -0.270 -11.524 226 HB3 ASP 575 HB1 ASP 575 8.752 -0.344 -9.923 227 H GLU 576 HN GLU 576 7.761 0.475 -7.667 228 HA GLU 576 HA GLU 576 7.040 -1.681 -6.148 229 HB2 GLU 576 HB2 GLU 576 7.543 1.158 -5.293 230 HB3 GLU 576 HB1 GLU 576 7.455 -0.184 -4.166 231 HG2 GLU 576 HG2 GLU 576 9.309 -1.248 -5.447 232 HG3 GLU 576 HG1 GLU 576 9.437 0.230 -6.362 233 H LYS 577 HN LYS 577 5.476 1.446 -6.337 234 HA LYS 577 HA LYS 577 3.250 0.891 -4.687 235 HB2 LYS 577 HB2 LYS 577 3.525 2.825 -6.933 236 HB3 LYS 577 HB1 LYS 577 2.314 2.928 -5.656 237 HG2 LYS 577 HG2 LYS 577 4.203 3.154 -4.009 238 HG3 LYS 577 HG1 LYS 577 5.302 3.273 -5.384 239 HD2 LYS 577 HD2 LYS 577 3.977 5.208 -6.196 240 HD3 LYS 577 HD1 LYS 577 3.020 5.109 -4.722 241 HE2 LYS 577 HE2 LYS 577 5.080 5.424 -3.397 242 HE3 LYS 577 HE1 LYS 577 5.968 5.672 -4.903 243 HZ1 LYS 577 HZ1 LYS 577 4.531 7.578 -5.369 244 HZ2 LYS 577 HZ2 LYS 577 5.290 7.780 -3.861 245 HZ3 LYS 577 HZ3 LYS 577 3.688 7.285 -3.947 246 H ARG 578 HN ARG 578 3.730 0.695 -8.152 247 HA ARG 578 HA ARG 578 1.090 0.125 -8.926 248 HB2 ARG 578 HB2 ARG 578 2.942 0.807 -10.470 249 HB3 ARG 578 HB1 ARG 578 3.609 -0.808 -10.309 250 HG2 ARG 578 HG2 ARG 578 2.384 -0.644 -12.376 251 HG3 ARG 578 HG1 ARG 578 1.522 -1.723 -11.272 252 HD2 ARG 578 HD2 ARG 578 0.045 0.103 -10.642 253 HD3 ARG 578 HD1 ARG 578 0.885 1.182 -11.759 254 HE ARG 578 HE ARG 578 -0.216 -1.229 -12.875 255 HH11 ARG 578 HH11 ARG 578 -0.582 2.284 -12.455 256 HH12 ARG 578 HH12 ARG 578 -1.979 2.382 -13.400 257 HH21 ARG 578 HH21 ARG 578 -2.120 -1.057 -14.245 258 HH22 ARG 578 HH22 ARG 578 -2.874 0.454 -14.448 259 H GLN 579 HN GLN 579 3.762 -2.058 -8.128 260 HA GLN 579 HA GLN 579 2.293 -4.442 -8.550 261 HB2 GLN 579 HB2 GLN 579 4.861 -3.931 -8.460 262 HB3 GLN 579 HB1 GLN 579 4.669 -4.074 -6.728 263 HG2 GLN 579 HG2 GLN 579 3.936 -6.229 -8.654 264 HG3 GLN 579 HG1 GLN 579 5.547 -6.074 -7.957 265 HE21 GLN 579 HE21 GLN 579 2.295 -7.052 -7.458 266 HE22 GLN 579 HE22 GLN 579 2.500 -7.635 -5.831 267 H LEU 580 HN LEU 580 2.806 -2.305 -5.865 268 HA LEU 580 HA LEU 580 1.758 -3.857 -3.776 269 HB2 LEU 580 HB2 LEU 580 3.081 -1.655 -3.758 270 HB3 LEU 580 HB1 LEU 580 1.557 -0.866 -4.050 271 HG LEU 580 HG LEU 580 2.182 -2.510 -1.594 272 HD11 LEU 580 HD11 LEU 580 2.299 0.467 -2.046 273 HD12 LEU 580 HD12 LEU 580 3.642 -0.622 -1.758 274 HD13 LEU 580 HD13 LEU 580 2.455 -0.342 -0.480 275 HD21 LEU 580 HD21 LEU 580 -0.230 -2.289 -2.051 276 HD22 LEU 580 HD22 LEU 580 -0.064 -0.540 -2.137 277 HD23 LEU 580 HD23 LEU 580 0.233 -1.382 -0.618 278 H SER 581 HN SER 581 0.147 -1.643 -6.149 279 HA SER 581 HA SER 581 -2.343 -1.891 -4.886 280 HB2 SER 581 HB2 SER 581 -3.022 -0.945 -7.279 281 HB3 SER 581 HB1 SER 581 -2.228 0.058 -6.063 282 HG SER 581 HG SER 581 -0.372 -0.059 -7.139 283 H LEU 582 HN LEU 582 -0.656 -3.720 -7.290 284 HA LEU 582 HA LEU 582 -2.835 -5.270 -8.260 285 HB2 LEU 582 HB2 LEU 582 0.043 -6.108 -7.915 286 HB3 LEU 582 HB1 LEU 582 -1.127 -6.896 -8.947 287 HG LEU 582 HG LEU 582 0.021 -4.136 -9.313 288 HD11 LEU 582 HD11 LEU 582 1.592 -5.941 -9.821 289 HD12 LEU 582 HD12 LEU 582 1.093 -5.105 -11.289 290 HD13 LEU 582 HD13 LEU 582 0.403 -6.679 -10.891 291 HD21 LEU 582 HD21 LEU 582 -2.281 -4.205 -10.109 292 HD22 LEU 582 HD22 LEU 582 -1.935 -5.667 -11.030 293 HD23 LEU 582 HD23 LEU 582 -1.166 -4.143 -11.475 294 H ASP 583 HN ASP 583 -0.578 -5.760 -5.590 295 HA ASP 583 HA ASP 583 -1.810 -8.195 -4.762 296 HB2 ASP 583 HB2 ASP 583 0.092 -6.357 -3.323 297 HB3 ASP 583 HB1 ASP 583 -0.592 -7.781 -2.550 298 H ILE 584 HN ILE 584 -2.495 -4.901 -3.936 299 HA ILE 584 HA ILE 584 -4.401 -5.532 -1.945 300 HB ILE 584 HB ILE 584 -4.044 -3.100 -3.695 301 HG12 ILE 584 HG12 ILE 584 -3.610 -3.665 -0.774 302 HG13 ILE 584 HG11 ILE 584 -2.386 -3.358 -1.998 303 HG21 ILE 584 HG21 ILE 584 -6.427 -3.216 -3.342 304 HG22 ILE 584 HG22 ILE 584 -5.725 -1.880 -2.435 305 HG23 ILE 584 HG23 ILE 584 -6.192 -3.356 -1.600 306 HD11 ILE 584 HD11 ILE 584 -2.669 -1.439 -0.562 307 HD12 ILE 584 HD12 ILE 584 -4.393 -1.419 -0.929 308 HD13 ILE 584 HD13 ILE 584 -3.221 -1.047 -2.199 309 H ASN 585 HN ASN 585 -4.659 -5.245 -5.435 310 HA ASN 585 HA ASN 585 -7.476 -5.581 -5.632 311 HB2 ASN 585 HB2 ASN 585 -6.065 -4.757 -7.500 312 HB3 ASN 585 HB1 ASN 585 -5.319 -6.340 -7.624 313 HD21 ASN 585 HD21 ASN 585 -8.794 -5.726 -7.128 314 HD22 ASN 585 HD22 ASN 585 -9.266 -6.357 -8.654 315 H ARG 586 HN ARG 586 -4.813 -7.734 -5.301 316 HA ARG 586 HA ARG 586 -6.194 -10.168 -5.831 317 HB2 ARG 586 HB2 ARG 586 -3.592 -9.594 -4.450 318 HB3 ARG 586 HB1 ARG 586 -4.164 -11.224 -4.767 319 HG2 ARG 586 HG2 ARG 586 -4.111 -10.814 -7.149 320 HG3 ARG 586 HG1 ARG 586 -3.727 -9.117 -6.879 321 HD2 ARG 586 HD2 ARG 586 -1.583 -9.812 -5.853 322 HD3 ARG 586 HD1 ARG 586 -1.984 -11.487 -6.219 323 HE ARG 586 HE ARG 586 -2.200 -10.528 -8.610 324 HH11 ARG 586 HH11 ARG 586 0.326 -9.554 -6.276 325 HH12 ARG 586 HH12 ARG 586 1.473 -9.283 -7.505 326 HH21 ARG 586 HH21 ARG 586 -0.606 -10.062 -10.213 327 HH22 ARG 586 HH22 ARG 586 0.942 -9.534 -9.747 328 H LEU 587 HN LEU 587 -6.164 -8.127 -3.083 329 HA LEU 587 HA LEU 587 -6.887 -10.276 -1.279 330 HB2 LEU 587 HB2 LEU 587 -6.760 -7.309 -0.808 331 HB3 LEU 587 HB1 LEU 587 -7.119 -8.507 0.409 332 HG LEU 587 HG LEU 587 -4.515 -7.956 -0.961 333 HD11 LEU 587 HD11 LEU 587 -5.038 -6.548 0.903 334 HD12 LEU 587 HD12 LEU 587 -3.766 -7.688 1.367 335 HD13 LEU 587 HD13 LEU 587 -5.423 -7.951 1.899 336 HD21 LEU 587 HD21 LEU 587 -5.233 -10.316 0.776 337 HD22 LEU 587 HD22 LEU 587 -3.594 -9.828 0.329 338 HD23 LEU 587 HD23 LEU 587 -4.727 -10.343 -0.921 339 HA PRO 588 HA PRO 588 -11.211 -9.340 -1.762 340 HB2 PRO 588 HB2 PRO 588 -12.124 -10.775 0.380 341 HB3 PRO 588 HB1 PRO 588 -11.671 -11.535 -1.146 342 HG2 PRO 588 HG2 PRO 588 -10.222 -11.423 1.430 343 HG3 PRO 588 HG1 PRO 588 -10.217 -12.685 0.191 344 HD2 PRO 588 HD2 PRO 588 -8.199 -10.772 0.551 345 HD3 PRO 588 HD1 PRO 588 -8.459 -11.752 -0.901 346 H GLY 589 HN GLY 589 -12.850 -8.186 -0.506 347 HA2 GLY 589 HA2 GLY 589 -11.881 -5.863 0.670 348 HA3 GLY 589 HA1 GLY 589 -13.541 -6.402 0.759 349 H GLU 590 HN GLU 590 -12.887 -8.808 2.229 350 HA GLU 590 HA GLU 590 -13.222 -7.996 4.857 351 HB2 GLU 590 HB2 GLU 590 -13.708 -10.262 4.052 352 HB3 GLU 590 HB1 GLU 590 -11.988 -10.557 3.839 353 HG2 GLU 590 HG2 GLU 590 -11.712 -10.142 6.287 354 HG3 GLU 590 HG1 GLU 590 -13.473 -10.138 6.421 355 H LYS 591 HN LYS 591 -10.281 -8.845 3.106 356 HA LYS 591 HA LYS 591 -8.634 -8.667 5.475 357 HB2 LYS 591 HB2 LYS 591 -7.696 -8.826 2.610 358 HB3 LYS 591 HB1 LYS 591 -6.791 -9.246 4.052 359 HG2 LYS 591 HG2 LYS 591 -9.170 -10.711 2.938 360 HG3 LYS 591 HG1 LYS 591 -7.488 -11.238 2.848 361 HD2 LYS 591 HD2 LYS 591 -7.489 -11.393 5.333 362 HD3 LYS 591 HD1 LYS 591 -9.205 -10.963 5.321 363 HE2 LYS 591 HE2 LYS 591 -9.602 -12.940 3.821 364 HE3 LYS 591 HE1 LYS 591 -7.926 -13.401 4.087 365 HZ1 LYS 591 HZ1 LYS 591 -9.358 -14.607 5.541 366 HZ2 LYS 591 HZ2 LYS 591 -10.065 -13.201 6.114 367 HZ3 LYS 591 HZ3 LYS 591 -8.440 -13.542 6.490 368 H LEU 592 HN LEU 592 -9.593 -6.704 2.785 369 HA LEU 592 HA LEU 592 -7.576 -4.765 3.132 370 HB2 LEU 592 HB2 LEU 592 -10.149 -4.747 1.614 371 HB3 LEU 592 HB1 LEU 592 -9.167 -3.303 1.760 372 HG LEU 592 HG LEU 592 -8.145 -5.892 0.641 373 HD11 LEU 592 HD11 LEU 592 -8.329 -4.800 -1.545 374 HD12 LEU 592 HD12 LEU 592 -9.102 -3.412 -0.775 375 HD13 LEU 592 HD13 LEU 592 -9.912 -4.979 -0.785 376 HD21 LEU 592 HD21 LEU 592 -7.044 -3.100 0.558 377 HD22 LEU 592 HD22 LEU 592 -6.288 -4.568 -0.108 378 HD23 LEU 592 HD23 LEU 592 -6.473 -4.377 1.622 379 H GLY 593 HN GLY 593 -10.477 -5.401 4.736 380 HA2 GLY 593 HA2 GLY 593 -11.198 -2.965 5.808 381 HA3 GLY 593 HA1 GLY 593 -11.324 -4.497 6.661 382 H ARG 594 HN ARG 594 -8.477 -5.039 6.725 383 HA ARG 594 HA ARG 594 -7.862 -3.406 8.956 384 HB2 ARG 594 HB2 ARG 594 -7.229 -5.747 9.020 385 HB3 ARG 594 HB1 ARG 594 -6.207 -5.558 7.603 386 HG2 ARG 594 HG2 ARG 594 -4.941 -5.654 9.698 387 HG3 ARG 594 HG1 ARG 594 -4.716 -4.135 8.815 388 HD2 ARG 594 HD2 ARG 594 -6.381 -3.064 10.237 389 HD3 ARG 594 HD1 ARG 594 -6.634 -4.589 11.077 390 HE ARG 594 HE ARG 594 -3.940 -3.800 11.241 391 HH11 ARG 594 HH11 ARG 594 -7.133 -2.892 12.468 392 HH12 ARG 594 HH12 ARG 594 -6.562 -2.197 13.912 393 HH21 ARG 594 HH21 ARG 594 -3.124 -2.772 13.204 394 HH22 ARG 594 HH22 ARG 594 -4.194 -2.106 14.335 395 H VAL 595 HN VAL 595 -6.787 -3.612 5.630 396 HA VAL 595 HA VAL 595 -4.537 -1.902 5.874 397 HB VAL 595 HB VAL 595 -6.167 -2.232 3.343 398 HG11 VAL 595 HG11 VAL 595 -3.295 -1.640 3.738 399 HG12 VAL 595 HG12 VAL 595 -4.554 -0.528 3.166 400 HG13 VAL 595 HG13 VAL 595 -4.091 -1.936 2.197 401 HG21 VAL 595 HG21 VAL 595 -4.726 -4.087 2.768 402 HG22 VAL 595 HG22 VAL 595 -5.705 -4.433 4.204 403 HG23 VAL 595 HG23 VAL 595 -3.998 -3.994 4.371 404 H VAL 596 HN VAL 596 -7.917 -1.343 5.278 405 HA VAL 596 HA VAL 596 -7.935 1.377 4.690 406 HB VAL 596 HB VAL 596 -9.955 0.144 6.614 407 HG11 VAL 596 HG11 VAL 596 -10.247 2.264 4.525 408 HG12 VAL 596 HG12 VAL 596 -10.150 2.566 6.270 409 HG13 VAL 596 HG13 VAL 596 -11.528 1.682 5.574 410 HG21 VAL 596 HG21 VAL 596 -10.065 -0.004 3.597 411 HG22 VAL 596 HG22 VAL 596 -11.309 -0.559 4.707 412 HG23 VAL 596 HG23 VAL 596 -9.741 -1.357 4.666 413 H HIS 597 HN HIS 597 -7.693 -0.222 7.836 414 HA HIS 597 HA HIS 597 -7.677 2.179 9.392 415 HB2 HIS 597 HB2 HIS 597 -6.972 -0.680 10.065 416 HB3 HIS 597 HB1 HIS 597 -6.928 0.628 11.243 417 HD1 HIS 597 HD1 HIS 597 -9.388 -1.504 9.269 418 HD2 HIS 597 HD2 HIS 597 -9.359 1.498 12.139 419 HE1 HIS 597 HE1 HIS 597 -11.697 -1.385 10.149 420 H ILE 598 HN ILE 598 -5.288 0.141 7.918 421 HA ILE 598 HA ILE 598 -2.980 1.078 9.192 422 HB ILE 598 HB ILE 598 -3.318 0.054 6.330 423 HG12 ILE 598 HG12 ILE 598 -2.380 -1.331 8.856 424 HG13 ILE 598 HG11 ILE 598 -3.914 -1.594 8.039 425 HG21 ILE 598 HG21 ILE 598 -0.764 0.472 7.849 426 HG22 ILE 598 HG22 ILE 598 -1.328 1.354 6.412 427 HG23 ILE 598 HG23 ILE 598 -0.960 -0.368 6.307 428 HD11 ILE 598 HD11 ILE 598 -2.679 -2.482 6.078 429 HD12 ILE 598 HD12 ILE 598 -2.396 -3.399 7.549 430 HD13 ILE 598 HD13 ILE 598 -1.173 -2.263 6.970 431 H ILE 599 HN ILE 599 -4.728 2.272 6.356 432 HA ILE 599 HA ILE 599 -2.990 4.438 5.912 433 HB ILE 599 HB ILE 599 -5.815 3.920 4.996 434 HG12 ILE 599 HG12 ILE 599 -3.246 3.700 3.466 435 HG13 ILE 599 HG11 ILE 599 -3.863 2.374 4.446 436 HG21 ILE 599 HG21 ILE 599 -5.293 5.632 3.244 437 HG22 ILE 599 HG22 ILE 599 -3.801 6.015 4.122 438 HG23 ILE 599 HG23 ILE 599 -5.355 6.313 4.866 439 HD11 ILE 599 HD11 ILE 599 -5.865 2.387 3.217 440 HD12 ILE 599 HD12 ILE 599 -4.479 2.077 2.175 441 HD13 ILE 599 HD13 ILE 599 -5.285 3.673 2.153 442 H GLN 600 HN GLN 600 -6.156 4.178 7.585 443 HA GLN 600 HA GLN 600 -6.615 6.834 8.131 444 HB2 GLN 600 HB2 GLN 600 -7.226 4.465 9.868 445 HB3 GLN 600 HB1 GLN 600 -7.933 6.066 10.055 446 HG2 GLN 600 HG2 GLN 600 -8.674 5.854 7.706 447 HG3 GLN 600 HG1 GLN 600 -8.253 4.145 7.795 448 HE21 GLN 600 HE21 GLN 600 -10.360 6.577 8.820 449 HE22 GLN 600 HE22 GLN 600 -11.549 5.603 9.626 450 H SER 601 HN SER 601 -4.454 4.707 9.717 451 HA SER 601 HA SER 601 -3.906 6.125 12.054 452 HB2 SER 601 HB2 SER 601 -3.171 3.809 11.577 453 HB3 SER 601 HB1 SER 601 -2.026 4.451 10.398 454 HG SER 601 HG SER 601 -1.979 5.319 13.080 455 H ARG 602 HN ARG 602 -2.488 6.470 8.803 456 HA ARG 602 HA ARG 602 -0.830 8.688 9.787 457 HB2 ARG 602 HB2 ARG 602 0.203 6.815 8.438 458 HB3 ARG 602 HB1 ARG 602 -0.750 7.346 7.072 459 HG2 ARG 602 HG2 ARG 602 1.260 9.143 8.435 460 HG3 ARG 602 HG1 ARG 602 1.715 8.029 7.157 461 HD2 ARG 602 HD2 ARG 602 0.174 9.188 5.618 462 HD3 ARG 602 HD1 ARG 602 -0.279 10.294 6.919 463 HE ARG 602 HE ARG 602 2.430 10.482 6.787 464 HH11 ARG 602 HH11 ARG 602 -0.253 11.230 4.546 465 HH12 ARG 602 HH12 ARG 602 0.700 12.225 3.573 466 HH21 ARG 602 HH21 ARG 602 3.695 11.957 5.420 467 HH22 ARG 602 HH22 ARG 602 2.929 12.668 4.078 468 H GLU 603 HN GLU 603 -3.481 7.895 7.732 469 HA GLU 603 HA GLU 603 -3.706 10.646 6.809 470 HB2 GLU 603 HB2 GLU 603 -4.678 8.065 5.680 471 HB3 GLU 603 HB1 GLU 603 -5.403 9.587 5.194 472 HG2 GLU 603 HG2 GLU 603 -2.520 8.782 4.895 473 HG3 GLU 603 HG1 GLU 603 -3.717 8.891 3.605 474 HA PRO 604 HA PRO 604 -7.163 10.366 9.635 475 HB2 PRO 604 HB2 PRO 604 -7.038 12.849 10.618 476 HB3 PRO 604 HB1 PRO 604 -5.908 11.571 11.118 477 HG2 PRO 604 HG2 PRO 604 -5.456 13.818 9.204 478 HG3 PRO 604 HG1 PRO 604 -4.371 13.168 10.442 479 HD2 PRO 604 HD2 PRO 604 -4.309 12.532 7.748 480 HD3 PRO 604 HD1 PRO 604 -3.592 11.554 9.041 481 H SER 605 HN SER 605 -6.455 11.926 6.837 482 HA SER 605 HA SER 605 -8.794 13.533 6.607 483 HB2 SER 605 HB2 SER 605 -6.586 13.957 5.421 484 HB3 SER 605 HB1 SER 605 -6.942 12.569 4.400 485 HG SER 605 HG SER 605 -8.626 13.646 3.502 486 H LEU 606 HN LEU 606 -7.849 10.235 6.039 487 HA LEU 606 HA LEU 606 -10.107 9.483 4.446 488 HB2 LEU 606 HB2 LEU 606 -7.917 8.271 4.611 489 HB3 LEU 606 HB1 LEU 606 -8.361 7.759 6.217 490 HG LEU 606 HG LEU 606 -9.831 7.003 3.662 491 HD11 LEU 606 HD11 LEU 606 -7.912 5.463 5.342 492 HD12 LEU 606 HD12 LEU 606 -7.647 6.133 3.727 493 HD13 LEU 606 HD13 LEU 606 -8.826 4.825 3.959 494 HD21 LEU 606 HD21 LEU 606 -10.130 5.927 6.474 495 HD22 LEU 606 HD22 LEU 606 -10.923 5.263 5.044 496 HD23 LEU 606 HD23 LEU 606 -11.308 6.895 5.604 497 H ARG 607 HN ARG 607 -9.203 9.231 7.834 498 HA ARG 607 HA ARG 607 -11.542 8.321 9.008 499 HB2 ARG 607 HB2 ARG 607 -9.610 10.401 10.033 500 HB3 ARG 607 HB1 ARG 607 -10.804 9.582 11.021 501 HG2 ARG 607 HG2 ARG 607 -9.721 7.486 10.692 502 HG3 ARG 607 HG1 ARG 607 -8.596 8.182 9.531 503 HD2 ARG 607 HD2 ARG 607 -7.518 7.932 11.724 504 HD3 ARG 607 HD1 ARG 607 -7.709 9.635 11.316 505 HE ARG 607 HE ARG 607 -9.876 8.647 12.843 506 HH11 ARG 607 HH11 ARG 607 -6.527 9.821 13.147 507 HH12 ARG 607 HH12 ARG 607 -6.751 10.445 14.710 508 HH21 ARG 607 HH21 ARG 607 -10.143 9.491 15.013 509 HH22 ARG 607 HH22 ARG 607 -8.834 10.229 15.810 510 H ASP 608 HN ASP 608 -10.685 11.529 7.932 511 HA ASP 608 HA ASP 608 -12.976 12.906 8.875 512 HB2 ASP 608 HB2 ASP 608 -10.927 14.083 8.209 513 HB3 ASP 608 HB1 ASP 608 -11.152 13.549 6.552 514 H SER 609 HN SER 609 -12.185 11.407 5.770 515 HA SER 609 HA SER 609 -14.701 11.783 4.507 516 HB2 SER 609 HB2 SER 609 -12.574 9.668 4.070 517 HB3 SER 609 HB1 SER 609 -13.822 10.158 2.929 518 HG SER 609 HG SER 609 -11.512 11.014 2.939 519 H ASN 610 HN ASN 610 -15.263 9.109 3.683 520 HA ASN 610 HA ASN 610 -16.425 8.162 6.136 521 HB2 ASN 610 HB2 ASN 610 -16.924 7.244 3.312 522 HB3 ASN 610 HB1 ASN 610 -17.695 6.561 4.719 523 HD21 ASN 610 HD21 ASN 610 -17.484 9.399 2.720 524 HD22 ASN 610 HD22 ASN 610 -18.904 10.144 3.351 525 HA PRO 611 HA PRO 611 -13.098 5.115 6.397 526 HB2 PRO 611 HB2 PRO 611 -14.061 3.755 8.517 527 HB3 PRO 611 HB1 PRO 611 -13.365 5.374 8.692 528 HG2 PRO 611 HG2 PRO 611 -16.248 4.562 8.508 529 HG3 PRO 611 HG1 PRO 611 -15.484 5.704 9.630 530 HD2 PRO 611 HD2 PRO 611 -16.804 6.539 7.371 531 HD3 PRO 611 HD1 PRO 611 -15.381 7.384 8.050 532 H ASP 612 HN ASP 612 -16.265 4.657 5.676 533 HA ASP 612 HA ASP 612 -16.524 1.838 5.371 534 HB2 ASP 612 HB2 ASP 612 -18.377 3.528 5.421 535 HB3 ASP 612 HB1 ASP 612 -17.853 4.064 3.845 536 H GLU 613 HN GLU 613 -15.334 4.469 3.540 537 HA GLU 613 HA GLU 613 -14.597 2.732 1.322 538 HB2 GLU 613 HB2 GLU 613 -15.886 4.700 0.667 539 HB3 GLU 613 HB1 GLU 613 -14.760 5.745 1.521 540 HG2 GLU 613 HG2 GLU 613 -12.978 5.037 -0.018 541 HG3 GLU 613 HG1 GLU 613 -14.148 4.064 -0.897 542 H ILE 614 HN ILE 614 -12.481 2.636 0.748 543 HA ILE 614 HA ILE 614 -10.578 3.761 2.663 544 HB ILE 614 HB ILE 614 -10.494 1.242 2.099 545 HG12 ILE 614 HG12 ILE 614 -7.976 2.788 1.484 546 HG13 ILE 614 HG11 ILE 614 -8.569 2.446 3.104 547 HG21 ILE 614 HG21 ILE 614 -9.380 0.581 0.059 548 HG22 ILE 614 HG22 ILE 614 -9.313 2.260 -0.466 549 HG23 ILE 614 HG23 ILE 614 -10.872 1.455 -0.330 550 HD11 ILE 614 HD11 ILE 614 -6.768 0.885 2.350 551 HD12 ILE 614 HD12 ILE 614 -7.860 0.319 1.083 552 HD13 ILE 614 HD13 ILE 614 -8.267 0.074 2.769 553 H GLU 615 HN GLU 615 -9.208 5.325 2.018 554 HA GLU 615 HA GLU 615 -9.303 6.099 -0.807 555 HB2 GLU 615 HB2 GLU 615 -8.515 7.775 1.592 556 HB3 GLU 615 HB1 GLU 615 -8.534 8.325 -0.071 557 HG2 GLU 615 HG2 GLU 615 -10.996 7.936 -0.095 558 HG3 GLU 615 HG1 GLU 615 -10.902 7.573 1.629 559 H ILE 616 HN ILE 616 -7.636 4.935 -1.666 560 HA ILE 616 HA ILE 616 -5.093 5.113 -0.235 561 HB ILE 616 HB ILE 616 -5.670 3.327 -2.610 562 HG12 ILE 616 HG12 ILE 616 -5.737 2.676 0.349 563 HG13 ILE 616 HG11 ILE 616 -7.114 2.673 -0.743 564 HG21 ILE 616 HG21 ILE 616 -3.449 3.347 -0.551 565 HG22 ILE 616 HG22 ILE 616 -3.305 3.845 -2.236 566 HG23 ILE 616 HG23 ILE 616 -3.627 2.157 -1.841 567 HD11 ILE 616 HD11 ILE 616 -6.174 0.749 -1.933 568 HD12 ILE 616 HD12 ILE 616 -6.296 0.415 -0.210 569 HD13 ILE 616 HD13 ILE 616 -4.741 0.835 -0.914 570 H ASP 617 HN ASP 617 -4.049 6.832 -0.777 571 HA ASP 617 HA ASP 617 -3.820 7.566 -3.620 572 HB2 ASP 617 HB2 ASP 617 -4.712 9.354 -2.105 573 HB3 ASP 617 HB1 ASP 617 -3.227 9.262 -1.173 574 H PHE 618 HN PHE 618 -2.067 6.606 -4.356 575 HA PHE 618 HA PHE 618 -0.031 5.664 -2.670 576 HB2 PHE 618 HB2 PHE 618 -0.473 5.605 -5.589 577 HB3 PHE 618 HB1 PHE 618 1.120 5.193 -4.982 578 HD1 PHE 618 HD1 PHE 618 -2.408 4.191 -5.089 579 HD2 PHE 618 HD2 PHE 618 1.476 3.223 -3.687 580 HE1 PHE 618 HE1 PHE 618 -3.149 1.887 -4.584 581 HE2 PHE 618 HE2 PHE 618 0.746 0.954 -3.194 582 HZ PHE 618 HZ PHE 618 -1.576 0.276 -3.646 583 H GLU 619 HN GLU 619 -0.293 8.801 -3.840 584 HA GLU 619 HA GLU 619 2.623 9.087 -3.995 585 HB2 GLU 619 HB2 GLU 619 0.433 11.028 -4.627 586 HB3 GLU 619 HB1 GLU 619 2.142 11.429 -4.642 587 HG2 GLU 619 HG2 GLU 619 0.738 9.430 -6.313 588 HG3 GLU 619 HG1 GLU 619 1.352 11.032 -6.781 589 H THR 620 HN THR 620 -0.155 10.441 -2.348 590 HA THR 620 HA THR 620 1.518 12.183 -0.884 591 HB THR 620 HB THR 620 -1.372 11.810 -0.185 592 HG1 THR 620 HG1 THR 620 -1.333 11.705 -2.496 593 HG21 THR 620 HG21 THR 620 0.113 13.528 0.806 594 HG22 THR 620 HG22 THR 620 -1.213 14.224 -0.187 595 HG23 THR 620 HG23 THR 620 0.419 14.053 -0.859 596 H LEU 621 HN LEU 621 0.354 9.002 -0.462 597 HA LEU 621 HA LEU 621 0.492 8.852 2.350 598 HB2 LEU 621 HB2 LEU 621 0.592 6.888 0.128 599 HB3 LEU 621 HB1 LEU 621 1.079 6.366 1.735 600 HG LEU 621 HG LEU 621 -1.629 7.551 1.091 601 HD11 LEU 621 HD11 LEU 621 -0.782 4.678 1.485 602 HD12 LEU 621 HD12 LEU 621 -1.286 5.384 -0.054 603 HD13 LEU 621 HD13 LEU 621 -2.440 5.243 1.276 604 HD21 LEU 621 HD21 LEU 621 -0.880 7.805 3.411 605 HD22 LEU 621 HD22 LEU 621 -0.524 6.073 3.450 606 HD23 LEU 621 HD23 LEU 621 -2.190 6.626 3.268 607 H LYS 622 HN LYS 622 2.092 8.339 3.674 608 HA LYS 622 HA LYS 622 4.778 8.942 2.849 609 HB2 LYS 622 HB2 LYS 622 3.728 9.659 5.024 610 HB3 LYS 622 HB1 LYS 622 3.681 7.981 5.509 611 HG2 LYS 622 HG2 LYS 622 6.151 7.926 5.482 612 HG3 LYS 622 HG1 LYS 622 6.161 9.637 5.039 613 HD2 LYS 622 HD2 LYS 622 4.962 10.188 7.090 614 HD3 LYS 622 HD1 LYS 622 4.910 8.484 7.530 615 HE2 LYS 622 HE2 LYS 622 6.652 9.542 8.784 616 HE3 LYS 622 HE1 LYS 622 7.389 8.486 7.587 617 HZ1 LYS 622 HZ1 LYS 622 7.873 10.465 6.217 618 HZ2 LYS 622 HZ2 LYS 622 8.518 10.613 7.767 619 HZ3 LYS 622 HZ3 LYS 622 7.117 11.435 7.379 620 HA PRO 623 HA PRO 623 6.228 4.805 1.828 621 HB2 PRO 623 HB2 PRO 623 8.612 4.960 3.428 622 HB3 PRO 623 HB1 PRO 623 8.450 5.239 1.701 623 HG2 PRO 623 HG2 PRO 623 8.481 7.148 3.949 624 HG3 PRO 623 HG1 PRO 623 9.027 7.381 2.279 625 HD2 PRO 623 HD2 PRO 623 6.781 8.520 3.182 626 HD3 PRO 623 HD1 PRO 623 6.878 7.875 1.529 627 H THR 624 HN THR 624 5.989 5.783 5.208 628 HA THR 624 HA THR 624 6.445 3.305 6.440 629 HB THR 624 HB THR 624 4.889 4.368 8.200 630 HG1 THR 624 HG1 THR 624 4.290 6.401 7.882 631 HG21 THR 624 HG21 THR 624 7.429 5.745 7.317 632 HG22 THR 624 HG22 THR 624 7.272 4.454 8.526 633 HG23 THR 624 HG23 THR 624 6.617 6.054 8.846 634 H THR 625 HN THR 625 3.489 4.956 5.593 635 HA THR 625 HA THR 625 1.801 2.838 6.284 636 HB THR 625 HB THR 625 1.265 5.154 4.445 637 HG1 THR 625 HG1 THR 625 1.611 4.908 7.207 638 HG21 THR 625 HG21 THR 625 -0.528 3.570 6.307 639 HG22 THR 625 HG22 THR 625 -0.502 3.446 4.544 640 HG23 THR 625 HG23 THR 625 -1.020 4.946 5.313 641 H LEU 626 HN LEU 626 3.034 4.067 3.197 642 HA LEU 626 HA LEU 626 1.713 2.339 1.510 643 HB2 LEU 626 HB2 LEU 626 4.450 3.548 1.290 644 HB3 LEU 626 HB1 LEU 626 3.748 2.601 0.001 645 HG LEU 626 HG LEU 626 2.477 5.088 1.117 646 HD11 LEU 626 HD11 LEU 626 4.189 4.719 -1.356 647 HD12 LEU 626 HD12 LEU 626 4.651 5.623 0.088 648 HD13 LEU 626 HD13 LEU 626 3.326 6.193 -0.922 649 HD21 LEU 626 HD21 LEU 626 1.199 5.003 -0.982 650 HD22 LEU 626 HD22 LEU 626 0.924 3.583 0.020 651 HD23 LEU 626 HD23 LEU 626 1.983 3.476 -1.386 652 H ARG 627 HN ARG 627 4.869 1.888 3.087 653 HA ARG 627 HA ARG 627 5.317 -0.681 2.001 654 HB2 ARG 627 HB2 ARG 627 7.069 0.886 2.921 655 HB3 ARG 627 HB1 ARG 627 6.472 0.471 4.526 656 HG2 ARG 627 HG2 ARG 627 8.466 -0.809 4.049 657 HG3 ARG 627 HG1 ARG 627 7.076 -1.899 4.082 658 HD2 ARG 627 HD2 ARG 627 8.494 -2.473 2.213 659 HD3 ARG 627 HD1 ARG 627 6.988 -1.803 1.599 660 HE ARG 627 HE ARG 627 9.085 0.134 1.899 661 HH11 ARG 627 HH11 ARG 627 7.629 -2.222 -0.369 662 HH12 ARG 627 HH12 ARG 627 8.433 -1.596 -1.715 663 HH21 ARG 627 HH21 ARG 627 10.170 0.982 -0.082 664 HH22 ARG 627 HH22 ARG 627 9.868 0.194 -1.564 665 H GLU 628 HN GLU 628 3.656 0.498 4.857 666 HA GLU 628 HA GLU 628 3.557 -1.968 6.233 667 HB2 GLU 628 HB2 GLU 628 3.232 0.402 7.153 668 HB3 GLU 628 HB1 GLU 628 1.603 0.309 6.512 669 HG2 GLU 628 HG2 GLU 628 1.088 -1.541 7.949 670 HG3 GLU 628 HG1 GLU 628 2.754 -1.595 8.528 671 H LEU 629 HN LEU 629 1.415 -0.316 3.954 672 HA LEU 629 HA LEU 629 -0.815 -2.098 3.848 673 HB2 LEU 629 HB2 LEU 629 0.481 -0.869 1.412 674 HB3 LEU 629 HB1 LEU 629 -1.200 -1.280 1.646 675 HG LEU 629 HG LEU 629 0.274 1.040 2.877 676 HD11 LEU 629 HD11 LEU 629 -0.124 1.330 0.516 677 HD12 LEU 629 HD12 LEU 629 -1.159 2.407 1.457 678 HD13 LEU 629 HD13 LEU 629 -1.832 0.948 0.736 679 HD21 LEU 629 HD21 LEU 629 -1.865 1.782 3.706 680 HD22 LEU 629 HD22 LEU 629 -1.517 0.183 4.368 681 HD23 LEU 629 HD23 LEU 629 -2.652 0.369 3.035 682 H GLU 630 HN GLU 630 2.213 -1.948 2.037 683 HA GLU 630 HA GLU 630 1.918 -4.195 0.450 684 HB2 GLU 630 HB2 GLU 630 3.623 -2.416 0.135 685 HB3 GLU 630 HB1 GLU 630 4.510 -3.074 1.503 686 HG2 GLU 630 HG2 GLU 630 4.622 -5.243 0.273 687 HG3 GLU 630 HG1 GLU 630 3.946 -4.407 -1.117 688 H ARG 631 HN ARG 631 3.445 -3.828 3.607 689 HA ARG 631 HA ARG 631 4.450 -6.446 3.871 690 HB2 ARG 631 HB2 ARG 631 3.644 -4.467 5.976 691 HB3 ARG 631 HB1 ARG 631 4.358 -6.023 6.354 692 HG2 ARG 631 HG2 ARG 631 6.377 -5.393 5.150 693 HG3 ARG 631 HG1 ARG 631 5.640 -3.839 4.730 694 HD2 ARG 631 HD2 ARG 631 5.412 -3.309 7.096 695 HD3 ARG 631 HD1 ARG 631 6.134 -4.862 7.511 696 HE ARG 631 HE ARG 631 8.036 -3.773 6.017 697 HH11 ARG 631 HH11 ARG 631 6.156 -2.467 8.726 698 HH12 ARG 631 HH12 ARG 631 7.405 -1.414 9.213 699 HH21 ARG 631 HH21 ARG 631 9.748 -2.378 6.780 700 HH22 ARG 631 HH22 ARG 631 9.416 -1.357 8.125 701 H TYR 632 HN TYR 632 1.323 -5.144 4.446 702 HA TYR 632 HA TYR 632 0.501 -7.498 5.862 703 HB2 TYR 632 HB2 TYR 632 -0.544 -5.519 6.617 704 HB3 TYR 632 HB1 TYR 632 -1.054 -5.058 4.987 705 HD1 TYR 632 HD1 TYR 632 -3.025 -5.845 4.095 706 HD2 TYR 632 HD2 TYR 632 -1.603 -7.526 7.711 707 HE1 TYR 632 HE1 TYR 632 -5.078 -7.026 4.291 708 HE2 TYR 632 HE2 TYR 632 -3.708 -8.779 7.968 709 HH TYR 632 HH TYR 632 -6.074 -8.603 7.157 710 H VAL 633 HN VAL 633 -0.186 -6.038 2.694 711 HA VAL 633 HA VAL 633 -1.855 -8.068 1.835 712 HB VAL 633 HB VAL 633 -1.500 -7.334 -0.462 713 HG11 VAL 633 HG11 VAL 633 -2.069 -4.984 -0.300 714 HG12 VAL 633 HG12 VAL 633 -1.482 -4.946 1.360 715 HG13 VAL 633 HG13 VAL 633 -2.903 -5.904 0.959 716 HG21 VAL 633 HG21 VAL 633 0.893 -7.089 -0.563 717 HG22 VAL 633 HG22 VAL 633 0.845 -5.798 0.618 718 HG23 VAL 633 HG23 VAL 633 0.174 -5.529 -0.993 719 H LYS 634 HN LYS 634 1.673 -7.864 1.689 720 HA LYS 634 HA LYS 634 1.968 -10.219 0.186 721 HB2 LYS 634 HB2 LYS 634 4.332 -10.005 0.590 722 HB3 LYS 634 HB1 LYS 634 3.628 -8.388 0.524 723 HG2 LYS 634 HG2 LYS 634 3.743 -8.146 2.879 724 HG3 LYS 634 HG1 LYS 634 4.322 -9.796 3.070 725 HD2 LYS 634 HD2 LYS 634 6.215 -8.258 3.210 726 HD3 LYS 634 HD1 LYS 634 6.346 -9.197 1.723 727 HE2 LYS 634 HE2 LYS 634 5.329 -7.303 0.487 728 HE3 LYS 634 HE1 LYS 634 5.296 -6.376 1.982 729 HZ1 LYS 634 HZ1 LYS 634 7.166 -5.740 0.698 730 HZ2 LYS 634 HZ2 LYS 634 7.656 -7.349 0.508 731 HZ3 LYS 634 HZ3 LYS 634 7.787 -6.620 2.014 732 H SER 635 HN SER 635 1.732 -9.601 3.645 733 HA SER 635 HA SER 635 2.382 -12.216 4.445 734 HB2 SER 635 HB2 SER 635 0.919 -9.999 5.868 735 HB3 SER 635 HB1 SER 635 1.451 -11.491 6.645 736 HG SER 635 HG SER 635 2.895 -9.302 5.778 737 H CYS 636 HN CYS 636 -0.637 -10.669 3.551 738 HA CYS 636 HA CYS 636 -2.266 -12.868 4.400 739 HB2 CYS 636 HB2 CYS 636 -3.034 -10.459 4.181 740 HB3 CYS 636 HB1 CYS 636 -2.958 -10.667 2.438 741 HG CYS 636 HG CYS 636 -5.155 -12.238 2.168 742 H LEU 637 HN LEU 637 -0.717 -11.795 1.446 743 HA LEU 637 HA LEU 637 -1.852 -13.909 -0.110 744 HB2 LEU 637 HB2 LEU 637 0.164 -11.784 -0.719 745 HB3 LEU 637 HB1 LEU 637 -0.295 -13.011 -1.893 746 HG LEU 637 HG LEU 637 -2.220 -11.037 -0.630 747 HD11 LEU 637 HD11 LEU 637 -2.239 -9.935 -2.732 748 HD12 LEU 637 HD12 LEU 637 -0.999 -11.031 -3.344 749 HD13 LEU 637 HD13 LEU 637 -0.631 -9.922 -2.017 750 HD21 LEU 637 HD21 LEU 637 -3.309 -13.115 -1.308 751 HD22 LEU 637 HD22 LEU 637 -2.552 -12.999 -2.894 752 HD23 LEU 637 HD23 LEU 637 -3.738 -11.794 -2.394 753 H GLN 638 HN GLN 638 0.187 -14.196 2.228 754 HA GLN 638 HA GLN 638 2.192 -15.880 1.126 755 HB2 GLN 638 HB2 GLN 638 1.023 -15.584 3.834 756 HB3 GLN 638 HB1 GLN 638 2.212 -16.840 3.531 757 HG2 GLN 638 HG2 GLN 638 2.764 -13.953 2.943 758 HG3 GLN 638 HG1 GLN 638 2.981 -14.602 4.564 759 HE21 GLN 638 HE21 GLN 638 3.726 -16.450 1.619 760 HE22 GLN 638 HE22 GLN 638 5.415 -16.443 1.859 761 H LYS 639 HN LYS 639 -1.085 -16.115 1.409 762 HA LYS 639 HA LYS 639 -2.599 -17.621 0.739 763 HB2 LYS 639 HB2 LYS 639 -0.851 -18.405 -0.854 764 HB3 LYS 639 HB1 LYS 639 -0.300 -19.559 0.348 765 HG2 LYS 639 HG2 LYS 639 -2.536 -20.642 0.253 766 HG3 LYS 639 HG1 LYS 639 -2.976 -19.528 -1.042 767 HD2 LYS 639 HD2 LYS 639 -0.695 -21.502 -1.108 768 HD3 LYS 639 HD1 LYS 639 -2.248 -21.691 -1.919 769 HE2 LYS 639 HE2 LYS 639 -1.772 -19.706 -3.269 770 HE3 LYS 639 HE1 LYS 639 -0.239 -19.500 -2.428 771 HZ1 LYS 639 HZ1 LYS 639 0.498 -21.588 -3.300 772 HZ2 LYS 639 HZ2 LYS 639 0.041 -20.548 -4.537 773 HZ3 LYS 639 HZ3 LYS 639 -0.977 -21.825 -4.103 774 H LYS 640 HN LYS 640 -0.902 -17.673 3.432 775 HA LYS 640 HA LYS 640 -1.759 -20.123 4.584 776 HB2 LYS 640 HB2 LYS 640 0.187 -18.665 5.416 777 HB3 LYS 640 HB1 LYS 640 -1.035 -17.618 6.123 778 HG2 LYS 640 HG2 LYS 640 -0.165 -19.120 7.816 779 HG3 LYS 640 HG1 LYS 640 -1.851 -19.518 7.480 780 HD2 LYS 640 HD2 LYS 640 -1.195 -21.386 6.094 781 HD3 LYS 640 HD1 LYS 640 0.506 -20.946 6.227 782 HE2 LYS 640 HE2 LYS 640 0.059 -22.810 7.683 783 HE3 LYS 640 HE1 LYS 640 0.344 -21.386 8.676 784 HZ1 LYS 640 HZ1 LYS 640 -1.527 -22.667 9.484 785 HZ2 LYS 640 HZ2 LYS 640 -2.336 -22.533 8.037 786 HZ3 LYS 640 HZ3 LYS 640 -2.051 -21.166 8.973 787 H GLN 641 HN GLN 641 -3.705 -20.542 4.821 788 HA GLN 641 HA GLN 641 -5.846 -18.868 4.421 789 HB2 GLN 641 HB2 GLN 641 -7.150 -20.928 5.374 790 HB3 GLN 641 HB1 GLN 641 -6.344 -20.976 3.817 791 HG2 GLN 641 HG2 GLN 641 -5.953 -23.032 5.055 792 HG3 GLN 641 HG1 GLN 641 -4.452 -22.166 4.818 793 HE21 GLN 641 HE21 GLN 641 -6.764 -23.291 7.099 794 HE22 GLN 641 HE22 GLN 641 -5.835 -22.985 8.517 795 H ARG 642 HN ARG 642 -4.195 -19.108 7.313 796 HA ARG 642 HA ARG 642 -4.471 -18.195 9.364 797 HB2 ARG 642 HB2 ARG 642 -7.152 -17.148 8.388 798 HB3 ARG 642 HB1 ARG 642 -6.401 -16.724 9.909 799 HG2 ARG 642 HG2 ARG 642 -5.325 -16.066 7.171 800 HG3 ARG 642 HG1 ARG 642 -6.198 -14.958 8.227 801 HD2 ARG 642 HD2 ARG 642 -4.368 -15.302 9.914 802 HD3 ARG 642 HD1 ARG 642 -3.495 -16.203 8.675 803 HE ARG 642 HE ARG 642 -4.357 -13.566 7.896 804 HH11 ARG 642 HH11 ARG 642 -1.671 -15.478 9.210 805 HH12 ARG 642 HH12 ARG 642 -0.482 -14.314 8.881 806 HH21 ARG 642 HH21 ARG 642 -2.759 -11.950 7.476 807 HH22 ARG 642 HH22 ARG 642 -1.125 -12.195 7.896 808 H LYS 643 HN LYS 643 -7.554 -19.430 8.211 809 HA LYS 643 HA LYS 643 -7.618 -21.608 9.957 810 HB2 LYS 643 HB2 LYS 643 -8.167 -19.883 11.636 811 HB3 LYS 643 HB1 LYS 643 -9.489 -19.316 10.644 812 HG2 LYS 643 HG2 LYS 643 -10.385 -20.570 12.476 813 HG3 LYS 643 HG1 LYS 643 -10.626 -21.494 11.002 814 HD2 LYS 643 HD2 LYS 643 -8.191 -22.047 12.641 815 HD3 LYS 643 HD1 LYS 643 -9.740 -22.629 13.235 816 HE2 LYS 643 HE2 LYS 643 -8.574 -23.273 10.510 817 HE3 LYS 643 HE1 LYS 643 -8.497 -24.323 11.921 818 HZ1 LYS 643 HZ1 LYS 643 -10.296 -24.941 10.442 819 HZ2 LYS 643 HZ2 LYS 643 -11.015 -23.420 10.609 820 HZ3 LYS 643 HZ3 LYS 643 -10.886 -24.455 11.929 821 HA PRO 644 HA PRO 644 -11.774 -21.271 7.225 822 HB2 PRO 644 HB2 PRO 644 -11.500 -19.356 5.216 823 HB3 PRO 644 HB1 PRO 644 -12.509 -19.200 6.653 824 HG2 PRO 644 HG2 PRO 644 -9.761 -18.166 6.142 825 HG3 PRO 644 HG1 PRO 644 -11.115 -17.386 6.986 826 HD2 PRO 644 HD2 PRO 644 -9.091 -18.443 8.347 827 HD3 PRO 644 HD1 PRO 644 -10.759 -18.611 8.925 Start of MODEL 5 1 H1 LYS 290 HT1 LYS 290 -7.156 16.196 -12.783 2 H2 LYS 290 HT2 LYS 290 -8.253 17.275 -12.090 3 H3 LYS 290 HT3 LYS 290 -8.814 15.929 -12.946 4 HA LYS 290 HA LYS 290 -7.222 15.887 -10.497 5 HB2 LYS 290 HB2 LYS 290 -9.316 14.980 -9.405 6 HB3 LYS 290 HB1 LYS 290 -9.397 16.669 -9.872 7 HG2 LYS 290 HG2 LYS 290 -10.746 16.084 -11.820 8 HG3 LYS 290 HG1 LYS 290 -10.595 14.375 -11.421 9 HD2 LYS 290 HD2 LYS 290 -11.791 14.742 -9.330 10 HD3 LYS 290 HD1 LYS 290 -11.894 16.465 -9.679 11 HE2 LYS 290 HE2 LYS 290 -13.995 15.364 -10.208 12 HE3 LYS 290 HE1 LYS 290 -13.241 15.982 -11.669 13 HZ1 LYS 290 HZ1 LYS 290 -14.146 13.777 -11.996 14 HZ2 LYS 290 HZ2 LYS 290 -13.201 13.139 -10.768 15 HZ3 LYS 290 HZ3 LYS 290 -12.478 13.727 -12.179 16 H VAL 291 HN VAL 291 -5.805 14.345 -10.899 17 HA VAL 291 HA VAL 291 -6.818 11.646 -11.354 18 HB VAL 291 HB VAL 291 -4.417 12.838 -12.807 19 HG11 VAL 291 HG11 VAL 291 -3.997 10.530 -12.167 20 HG12 VAL 291 HG12 VAL 291 -4.206 10.659 -13.913 21 HG13 VAL 291 HG13 VAL 291 -5.512 10.029 -12.913 22 HG21 VAL 291 HG21 VAL 291 -6.526 13.499 -13.837 23 HG22 VAL 291 HG22 VAL 291 -7.020 11.808 -13.937 24 HG23 VAL 291 HG23 VAL 291 -5.639 12.384 -14.874 25 H ALA 292 HN ALA 292 -5.966 10.313 -9.897 26 HA ALA 292 HA ALA 292 -3.476 11.101 -8.589 27 HB1 ALA 292 HB1 ALA 292 -4.268 9.755 -6.654 28 HB2 ALA 292 HB2 ALA 292 -5.790 9.472 -7.504 29 HB3 ALA 292 HB3 ALA 292 -5.344 11.101 -7.021 30 HA PRO 293 HA PRO 293 -1.791 7.527 -10.742 31 HB2 PRO 293 HB2 PRO 293 0.029 7.640 -8.365 32 HB3 PRO 293 HB1 PRO 293 0.442 7.463 -10.077 33 HG2 PRO 293 HG2 PRO 293 0.780 9.805 -8.954 34 HG3 PRO 293 HG1 PRO 293 0.011 9.716 -10.546 35 HD2 PRO 293 HD2 PRO 293 -1.271 10.145 -7.870 36 HD3 PRO 293 HD1 PRO 293 -1.609 10.922 -9.435 37 H LEU 294 HN LEU 294 -2.474 5.555 -10.638 38 HA LEU 294 HA LEU 294 -3.247 3.579 -10.031 39 HB2 LEU 294 HB2 LEU 294 -2.149 4.257 -7.303 40 HB3 LEU 294 HB1 LEU 294 -2.799 2.683 -7.733 41 HG LEU 294 HG LEU 294 -0.425 3.950 -9.108 42 HD11 LEU 294 HD11 LEU 294 -0.495 1.855 -6.955 43 HD12 LEU 294 HD12 LEU 294 0.078 3.510 -6.775 44 HD13 LEU 294 HD13 LEU 294 0.931 2.391 -7.838 45 HD21 LEU 294 HD21 LEU 294 -0.057 1.706 -9.967 46 HD22 LEU 294 HD22 LEU 294 -1.638 2.303 -10.457 47 HD23 LEU 294 HD23 LEU 294 -1.501 1.134 -9.138 48 H LYS 295 HN LYS 295 -3.946 5.616 -7.234 49 HA LYS 295 HA LYS 295 -5.875 6.189 -6.186 50 HB2 LYS 295 HB2 LYS 295 -6.052 7.593 -8.122 51 HB3 LYS 295 HB1 LYS 295 -6.756 6.299 -9.057 52 HG2 LYS 295 HG2 LYS 295 -8.798 6.408 -7.799 53 HG3 LYS 295 HG1 LYS 295 -8.094 7.589 -6.684 54 HD2 LYS 295 HD2 LYS 295 -7.914 9.219 -8.413 55 HD3 LYS 295 HD1 LYS 295 -8.336 8.051 -9.653 56 HE2 LYS 295 HE2 LYS 295 -10.173 8.926 -7.427 57 HE3 LYS 295 HE1 LYS 295 -10.177 9.618 -9.051 58 HZ1 LYS 295 HZ1 LYS 295 -10.806 6.780 -8.351 59 HZ2 LYS 295 HZ2 LYS 295 -10.693 7.390 -9.909 60 HZ3 LYS 295 HZ3 LYS 295 -11.876 7.964 -8.888 61 H ILE 296 HN ILE 296 -6.378 4.447 -4.967 62 HA ILE 296 HA ILE 296 -8.319 2.599 -6.133 63 HB ILE 296 HB ILE 296 -6.683 2.273 -3.602 64 HG12 ILE 296 HG12 ILE 296 -6.541 0.817 -6.249 65 HG13 ILE 296 HG11 ILE 296 -5.378 2.008 -5.673 66 HG21 ILE 296 HG21 ILE 296 -7.615 -0.010 -3.503 67 HG22 ILE 296 HG22 ILE 296 -8.640 0.354 -4.887 68 HG23 ILE 296 HG23 ILE 296 -8.880 1.213 -3.365 69 HD11 ILE 296 HD11 ILE 296 -4.546 -0.257 -5.398 70 HD12 ILE 296 HD12 ILE 296 -5.951 -0.669 -4.415 71 HD13 ILE 296 HD13 ILE 296 -4.781 0.517 -3.832 72 H LYS 297 HN LYS 297 -10.327 2.942 -5.688 73 HA LYS 297 HA LYS 297 -11.092 3.951 -3.037 74 HB2 LYS 297 HB2 LYS 297 -12.303 4.447 -5.734 75 HB3 LYS 297 HB1 LYS 297 -13.319 4.432 -4.314 76 HG2 LYS 297 HG2 LYS 297 -12.051 6.294 -3.383 77 HG3 LYS 297 HG1 LYS 297 -11.025 6.327 -4.836 78 HD2 LYS 297 HD2 LYS 297 -12.946 6.775 -6.228 79 HD3 LYS 297 HD1 LYS 297 -14.033 6.559 -4.870 80 HE2 LYS 297 HE2 LYS 297 -12.010 8.780 -5.197 81 HE3 LYS 297 HE1 LYS 297 -13.748 8.913 -5.451 82 HZ1 LYS 297 HZ1 LYS 297 -13.781 8.061 -2.951 83 HZ2 LYS 297 HZ2 LYS 297 -13.604 9.671 -3.372 84 HZ3 LYS 297 HZ3 LYS 297 -12.239 8.815 -2.962 85 H LEU 298 HN LEU 298 -11.892 2.339 -1.925 86 HA LEU 298 HA LEU 298 -13.017 0.029 -3.172 87 HB2 LEU 298 HB2 LEU 298 -12.561 0.942 -0.425 88 HB3 LEU 298 HB1 LEU 298 -13.997 -0.029 -0.607 89 HG LEU 298 HG LEU 298 -11.850 -1.255 0.088 90 HD11 LEU 298 HD11 LEU 298 -13.377 -2.202 -2.350 91 HD12 LEU 298 HD12 LEU 298 -13.873 -2.408 -0.673 92 HD13 LEU 298 HD13 LEU 298 -12.433 -3.232 -1.276 93 HD21 LEU 298 HD21 LEU 298 -11.225 -0.977 -2.882 94 HD22 LEU 298 HD22 LEU 298 -10.340 -1.975 -1.738 95 HD23 LEU 298 HD23 LEU 298 -10.316 -0.233 -1.574 96 H GLY 299 HN GLY 299 -14.923 -0.250 -3.915 97 HA2 GLY 299 HA2 GLY 299 -17.324 0.132 -3.807 98 HA3 GLY 299 HA1 GLY 299 -16.961 1.810 -3.390 99 H GLY 300 HN GLY 300 -14.578 1.408 -5.298 100 HA2 GLY 300 HA2 GLY 300 -14.099 1.528 -7.547 101 HA3 GLY 300 HA1 GLY 300 -15.809 1.292 -7.900 102 H PHE 301 HN PHE 301 -17.204 3.111 -7.289 103 HA PHE 301 HA PHE 301 -15.959 5.718 -7.627 104 HB2 PHE 301 HB2 PHE 301 -18.180 4.591 -9.339 105 HB3 PHE 301 HB1 PHE 301 -17.809 6.305 -9.260 106 HD1 PHE 301 HD1 PHE 301 -16.641 3.010 -10.412 107 HD2 PHE 301 HD2 PHE 301 -15.932 7.202 -10.427 108 HE1 PHE 301 HE1 PHE 301 -15.030 2.727 -12.253 109 HE2 PHE 301 HE2 PHE 301 -14.325 6.929 -12.255 110 HZ PHE 301 HZ PHE 301 -13.867 4.687 -13.174 111 H ALA 557 HN ALA 557 14.876 6.611 19.270 112 HA ALA 557 HA ALA 557 16.343 5.795 17.117 113 HB1 ALA 557 HB1 ALA 557 13.825 7.299 16.375 114 HB2 ALA 557 HB2 ALA 557 14.218 5.643 15.896 115 HB3 ALA 557 HB3 ALA 557 15.188 6.989 15.300 116 H SER 558 HN SER 558 16.976 7.971 15.892 117 HA SER 558 HA SER 558 17.579 9.909 17.968 118 HB2 SER 558 HB2 SER 558 18.505 9.762 15.086 119 HB3 SER 558 HB1 SER 558 19.220 10.726 16.377 120 HG SER 558 HG SER 558 19.206 7.932 16.027 121 H ALA 559 HN ALA 559 17.015 12.170 17.641 122 HA ALA 559 HA ALA 559 14.523 12.515 16.252 123 HB1 ALA 559 HB1 ALA 559 14.510 14.755 17.225 124 HB2 ALA 559 HB2 ALA 559 16.162 14.528 17.803 125 HB3 ALA 559 HB3 ALA 559 14.853 13.537 18.452 126 H SER 560 HN SER 560 15.736 11.931 14.272 127 HA SER 560 HA SER 560 15.907 13.957 12.404 128 HB2 SER 560 HB2 SER 560 18.044 14.577 13.596 129 HB3 SER 560 HB1 SER 560 18.612 12.924 13.394 130 HG SER 560 HG SER 560 19.363 13.536 11.592 131 H TYR 561 HN TYR 561 17.357 12.769 10.512 132 HA TYR 561 HA TYR 561 16.014 10.297 10.073 133 HB2 TYR 561 HB2 TYR 561 18.385 11.460 8.589 134 HB3 TYR 561 HB1 TYR 561 17.321 10.182 8.000 135 HD1 TYR 561 HD1 TYR 561 14.728 10.891 8.093 136 HD2 TYR 561 HD2 TYR 561 18.004 13.562 7.757 137 HE1 TYR 561 HE1 TYR 561 13.238 12.590 7.117 138 HE2 TYR 561 HE2 TYR 561 16.527 15.260 6.789 139 HH TYR 561 HH TYR 561 14.406 15.326 5.559 140 H ASP 562 HN ASP 562 16.567 8.435 10.907 141 HA ASP 562 HA ASP 562 18.973 8.328 12.481 142 HB2 ASP 562 HB2 ASP 562 16.740 7.832 13.457 143 HB3 ASP 562 HB1 ASP 562 16.592 6.470 12.361 144 H SER 563 HN SER 563 20.293 6.438 12.413 145 HA SER 563 HA SER 563 21.025 5.971 9.732 146 HB2 SER 563 HB2 SER 563 22.293 5.026 12.298 147 HB3 SER 563 HB1 SER 563 23.044 5.005 10.703 148 HG SER 563 HG SER 563 22.287 7.224 12.276 149 H GLU 564 HN GLU 564 22.195 3.571 9.552 150 HA GLU 564 HA GLU 564 22.045 1.524 9.049 151 HB2 GLU 564 HB2 GLU 564 21.428 1.215 11.474 152 HB3 GLU 564 HB1 GLU 564 19.741 1.321 10.957 153 HG2 GLU 564 HG2 GLU 564 20.442 -0.956 11.307 154 HG3 GLU 564 HG1 GLU 564 19.966 -0.534 9.634 155 H GLU 565 HN GLU 565 20.536 -0.082 8.006 156 HA GLU 565 HA GLU 565 19.125 1.398 6.034 157 HB2 GLU 565 HB2 GLU 565 18.600 -0.784 4.933 158 HB3 GLU 565 HB1 GLU 565 20.305 -0.524 5.230 159 HG2 GLU 565 HG2 GLU 565 20.165 -2.025 7.177 160 HG3 GLU 565 HG1 GLU 565 18.462 -2.303 6.814 161 H GLU 566 HN GLU 566 17.577 2.414 6.842 162 HA GLU 566 HA GLU 566 15.331 1.034 8.126 163 HB2 GLU 566 HB2 GLU 566 16.530 3.162 9.072 164 HB3 GLU 566 HB1 GLU 566 15.740 4.024 7.775 165 HG2 GLU 566 HG2 GLU 566 14.396 2.535 10.027 166 HG3 GLU 566 HG1 GLU 566 14.533 4.281 9.859 167 H GLU 567 HN GLU 567 13.377 0.998 6.958 168 HA GLU 567 HA GLU 567 13.731 1.846 4.174 169 HB2 GLU 567 HB2 GLU 567 12.415 -0.680 5.112 170 HB3 GLU 567 HB1 GLU 567 12.651 -0.179 3.441 171 HG2 GLU 567 HG2 GLU 567 15.044 -0.322 3.688 172 HG3 GLU 567 HG1 GLU 567 14.873 -0.683 5.402 173 H GLU 568 HN GLU 568 11.771 2.295 6.860 174 HA GLU 568 HA GLU 568 9.377 2.726 5.291 175 HB2 GLU 568 HB2 GLU 568 9.970 3.007 8.217 176 HB3 GLU 568 HB1 GLU 568 8.475 3.588 7.495 177 HG2 GLU 568 HG2 GLU 568 7.826 1.504 8.257 178 HG3 GLU 568 HG1 GLU 568 8.339 1.179 6.597 179 H GLY 569 HN GLY 569 11.954 4.229 5.363 180 HA2 GLY 569 HA2 GLY 569 10.713 6.895 5.149 181 HA3 GLY 569 HA1 GLY 569 12.353 6.707 5.760 182 H LEU 570 HN LEU 570 11.846 4.411 3.495 183 HA LEU 570 HA LEU 570 13.194 6.011 1.472 184 HB2 LEU 570 HB2 LEU 570 12.988 3.015 1.784 185 HB3 LEU 570 HB1 LEU 570 13.807 3.810 0.462 186 HG LEU 570 HG LEU 570 14.621 3.863 3.368 187 HD11 LEU 570 HD11 LEU 570 15.071 1.746 2.271 188 HD12 LEU 570 HD12 LEU 570 16.569 2.621 2.583 189 HD13 LEU 570 HD13 LEU 570 15.892 2.591 0.957 190 HD21 LEU 570 HD21 LEU 570 15.925 5.159 0.970 191 HD22 LEU 570 HD22 LEU 570 16.616 5.062 2.588 192 HD23 LEU 570 HD23 LEU 570 15.150 6.003 2.315 193 HA PRO 571 HA PRO 571 9.081 5.985 -0.260 194 HB2 PRO 571 HB2 PRO 571 9.737 7.495 -2.455 195 HB3 PRO 571 HB1 PRO 571 9.338 8.177 -0.875 196 HG2 PRO 571 HG2 PRO 571 11.991 7.711 -2.135 197 HG3 PRO 571 HG1 PRO 571 11.456 9.068 -1.131 198 HD2 PRO 571 HD2 PRO 571 13.010 7.070 -0.212 199 HD3 PRO 571 HD1 PRO 571 11.846 7.920 0.825 200 H MET 572 HN MET 572 8.108 4.807 -1.817 201 HA MET 572 HA MET 572 9.879 2.995 -3.330 202 HB2 MET 572 HB2 MET 572 6.935 2.697 -2.734 203 HB3 MET 572 HB1 MET 572 7.957 1.537 -3.578 204 HG2 MET 572 HG2 MET 572 9.385 1.556 -1.439 205 HG3 MET 572 HG1 MET 572 7.976 2.287 -0.687 206 HE1 MET 572 HE1 MET 572 5.297 -0.591 -1.318 207 HE2 MET 572 HE2 MET 572 5.670 0.694 -2.462 208 HE3 MET 572 HE3 MET 572 5.519 1.063 -0.738 209 H SER 573 HN SER 573 9.365 2.333 -5.361 210 HA SER 573 HA SER 573 9.079 4.702 -6.981 211 HB2 SER 573 HB2 SER 573 9.638 1.893 -7.867 212 HB3 SER 573 HB1 SER 573 10.117 3.411 -8.630 213 HG SER 573 HG SER 573 11.055 2.320 -6.185 214 H TYR 574 HN TYR 574 7.789 4.560 -8.949 215 HA TYR 574 HA TYR 574 5.146 4.002 -8.545 216 HB2 TYR 574 HB2 TYR 574 4.901 4.189 -11.048 217 HB3 TYR 574 HB1 TYR 574 5.740 5.523 -10.276 218 HD1 TYR 574 HD1 TYR 574 8.073 5.943 -10.726 219 HD2 TYR 574 HD2 TYR 574 6.119 2.611 -12.495 220 HE1 TYR 574 HE1 TYR 574 9.945 5.681 -12.274 221 HE2 TYR 574 HE2 TYR 574 8.003 2.337 -14.053 222 HH TYR 574 HH TYR 574 10.932 3.955 -13.579 223 H ASP 575 HN ASP 575 7.609 1.832 -9.764 224 HA ASP 575 HA ASP 575 5.741 -0.135 -10.678 225 HB2 ASP 575 HB2 ASP 575 7.650 -1.596 -11.041 226 HB3 ASP 575 HB1 ASP 575 8.069 0.021 -11.588 227 H GLU 576 HN GLU 576 7.508 0.420 -7.679 228 HA GLU 576 HA GLU 576 6.797 -1.966 -6.407 229 HB2 GLU 576 HB2 GLU 576 7.465 0.747 -5.319 230 HB3 GLU 576 HB1 GLU 576 7.490 -0.749 -4.380 231 HG2 GLU 576 HG2 GLU 576 9.217 -1.623 -5.926 232 HG3 GLU 576 HG1 GLU 576 9.195 -0.093 -6.765 233 H LYS 577 HN LYS 577 5.480 1.303 -6.281 234 HA LYS 577 HA LYS 577 3.218 0.863 -4.713 235 HB2 LYS 577 HB2 LYS 577 3.560 2.743 -7.012 236 HB3 LYS 577 HB1 LYS 577 2.301 2.884 -5.789 237 HG2 LYS 577 HG2 LYS 577 4.077 3.186 -4.065 238 HG3 LYS 577 HG1 LYS 577 5.279 3.180 -5.359 239 HD2 LYS 577 HD2 LYS 577 4.200 5.139 -6.355 240 HD3 LYS 577 HD1 LYS 577 3.016 5.171 -5.054 241 HE2 LYS 577 HE2 LYS 577 4.973 5.370 -3.464 242 HE3 LYS 577 HE1 LYS 577 5.987 5.635 -4.880 243 HZ1 LYS 577 HZ1 LYS 577 5.375 7.781 -4.081 244 HZ2 LYS 577 HZ2 LYS 577 3.799 7.294 -3.836 245 HZ3 LYS 577 HZ3 LYS 577 4.318 7.537 -5.391 246 H ARG 578 HN ARG 578 3.596 0.623 -8.228 247 HA ARG 578 HA ARG 578 1.000 0.095 -9.039 248 HB2 ARG 578 HB2 ARG 578 2.845 0.411 -10.624 249 HB3 ARG 578 HB1 ARG 578 3.558 -1.109 -10.120 250 HG2 ARG 578 HG2 ARG 578 2.490 -1.435 -12.235 251 HG3 ARG 578 HG1 ARG 578 1.562 -2.291 -11.009 252 HD2 ARG 578 HD2 ARG 578 0.063 -1.158 -12.545 253 HD3 ARG 578 HD1 ARG 578 -0.044 -0.410 -10.954 254 HE ARG 578 HE ARG 578 1.803 1.097 -12.217 255 HH11 ARG 578 HH11 ARG 578 -1.559 0.241 -13.009 256 HH12 ARG 578 HH12 ARG 578 -1.815 1.611 -13.980 257 HH21 ARG 578 HH21 ARG 578 1.449 2.943 -13.551 258 HH22 ARG 578 HH22 ARG 578 -0.032 3.206 -14.328 259 H GLN 579 HN GLN 579 3.428 -2.254 -8.009 260 HA GLN 579 HA GLN 579 1.713 -4.508 -8.313 261 HB2 GLN 579 HB2 GLN 579 4.425 -4.117 -7.905 262 HB3 GLN 579 HB1 GLN 579 3.888 -4.798 -6.387 263 HG2 GLN 579 HG2 GLN 579 3.251 -6.153 -8.988 264 HG3 GLN 579 HG1 GLN 579 4.808 -6.365 -8.221 265 HE21 GLN 579 HE21 GLN 579 1.657 -6.207 -6.519 266 HE22 GLN 579 HE22 GLN 579 1.759 -7.777 -5.905 267 H LEU 580 HN LEU 580 2.483 -2.350 -5.683 268 HA LEU 580 HA LEU 580 1.338 -3.707 -3.518 269 HB2 LEU 580 HB2 LEU 580 2.738 -1.498 -3.758 270 HB3 LEU 580 HB1 LEU 580 1.177 -0.738 -3.902 271 HG LEU 580 HG LEU 580 2.250 -2.229 -1.519 272 HD11 LEU 580 HD11 LEU 580 3.243 -0.072 -1.936 273 HD12 LEU 580 HD12 LEU 580 2.261 -0.047 -0.463 274 HD13 LEU 580 HD13 LEU 580 1.651 0.677 -1.957 275 HD21 LEU 580 HD21 LEU 580 0.242 -1.497 -0.318 276 HD22 LEU 580 HD22 LEU 580 -0.190 -2.526 -1.684 277 HD23 LEU 580 HD23 LEU 580 -0.401 -0.786 -1.798 278 H SER 581 HN SER 581 -0.009 -1.551 -5.985 279 HA SER 581 HA SER 581 -2.626 -1.356 -4.949 280 HB2 SER 581 HB2 SER 581 -1.740 0.274 -6.525 281 HB3 SER 581 HB1 SER 581 -1.545 -0.973 -7.757 282 HG SER 581 HG SER 581 -4.066 -1.056 -7.007 283 H LEU 582 HN LEU 582 -0.980 -3.588 -7.043 284 HA LEU 582 HA LEU 582 -3.232 -4.967 -8.053 285 HB2 LEU 582 HB2 LEU 582 -0.404 -5.899 -7.643 286 HB3 LEU 582 HB1 LEU 582 -1.569 -6.752 -8.618 287 HG LEU 582 HG LEU 582 -0.365 -4.041 -9.145 288 HD11 LEU 582 HD11 LEU 582 1.110 -5.957 -9.617 289 HD12 LEU 582 HD12 LEU 582 0.630 -5.122 -11.093 290 HD13 LEU 582 HD13 LEU 582 -0.140 -6.646 -10.654 291 HD21 LEU 582 HD21 LEU 582 -2.679 -4.024 -9.903 292 HD22 LEU 582 HD22 LEU 582 -2.433 -5.543 -10.763 293 HD23 LEU 582 HD23 LEU 582 -1.589 -4.084 -11.288 294 H ASP 583 HN ASP 583 -1.034 -5.622 -5.343 295 HA ASP 583 HA ASP 583 -2.414 -7.961 -4.595 296 HB2 ASP 583 HB2 ASP 583 -0.460 -6.286 -3.034 297 HB3 ASP 583 HB1 ASP 583 -1.195 -7.747 -2.386 298 H ILE 584 HN ILE 584 -2.865 -4.645 -3.666 299 HA ILE 584 HA ILE 584 -4.749 -5.214 -1.638 300 HB ILE 584 HB ILE 584 -4.240 -2.722 -3.264 301 HG12 ILE 584 HG12 ILE 584 -3.825 -3.565 -0.415 302 HG13 ILE 584 HG11 ILE 584 -2.601 -3.149 -1.612 303 HG21 ILE 584 HG21 ILE 584 -5.844 -1.449 -2.056 304 HG22 ILE 584 HG22 ILE 584 -6.297 -2.827 -1.092 305 HG23 ILE 584 HG23 ILE 584 -6.687 -2.803 -2.820 306 HD11 ILE 584 HD11 ILE 584 -3.384 -0.824 -1.530 307 HD12 ILE 584 HD12 ILE 584 -2.846 -1.431 0.057 308 HD13 ILE 584 HD13 ILE 584 -4.570 -1.342 -0.319 309 H ASN 585 HN ASN 585 -5.074 -4.812 -5.095 310 HA ASN 585 HA ASN 585 -7.916 -4.945 -5.088 311 HB2 ASN 585 HB2 ASN 585 -6.626 -4.035 -7.007 312 HB3 ASN 585 HB1 ASN 585 -6.015 -5.653 -7.341 313 HD21 ASN 585 HD21 ASN 585 -8.771 -3.538 -7.496 314 HD22 ASN 585 HD22 ASN 585 -9.729 -4.550 -8.503 315 H ARG 586 HN ARG 586 -5.368 -7.247 -5.093 316 HA ARG 586 HA ARG 586 -6.899 -9.584 -5.654 317 HB2 ARG 586 HB2 ARG 586 -4.215 -9.218 -4.343 318 HB3 ARG 586 HB1 ARG 586 -4.883 -10.786 -4.751 319 HG2 ARG 586 HG2 ARG 586 -4.854 -10.199 -7.112 320 HG3 ARG 586 HG1 ARG 586 -4.325 -8.566 -6.724 321 HD2 ARG 586 HD2 ARG 586 -2.232 -9.549 -5.745 322 HD3 ARG 586 HD1 ARG 586 -2.787 -11.125 -6.301 323 HE ARG 586 HE ARG 586 -2.884 -9.686 -8.545 324 HH11 ARG 586 HH11 ARG 586 -0.261 -9.752 -6.149 325 HH12 ARG 586 HH12 ARG 586 0.966 -9.764 -7.318 326 HH21 ARG 586 HH21 ARG 586 -1.201 -9.562 -10.116 327 HH22 ARG 586 HH22 ARG 586 0.435 -9.575 -9.647 328 H LEU 587 HN LEU 587 -6.577 -7.654 -2.828 329 HA LEU 587 HA LEU 587 -7.165 -9.820 -1.030 330 HB2 LEU 587 HB2 LEU 587 -7.062 -6.864 -0.513 331 HB3 LEU 587 HB1 LEU 587 -7.341 -8.082 0.709 332 HG LEU 587 HG LEU 587 -4.837 -7.481 -0.806 333 HD11 LEU 587 HD11 LEU 587 -5.203 -6.166 1.152 334 HD12 LEU 587 HD12 LEU 587 -3.933 -7.359 1.488 335 HD13 LEU 587 HD13 LEU 587 -5.560 -7.609 2.100 336 HD21 LEU 587 HD21 LEU 587 -5.061 -9.883 -0.866 337 HD22 LEU 587 HD22 LEU 587 -5.420 -9.924 0.863 338 HD23 LEU 587 HD23 LEU 587 -3.822 -9.427 0.301 339 HA PRO 588 HA PRO 588 -11.575 -9.261 -1.055 340 HB2 PRO 588 HB2 PRO 588 -12.103 -10.754 1.159 341 HB3 PRO 588 HB1 PRO 588 -11.730 -11.481 -0.409 342 HG2 PRO 588 HG2 PRO 588 -9.987 -11.050 1.958 343 HG3 PRO 588 HG1 PRO 588 -10.066 -12.460 0.876 344 HD2 PRO 588 HD2 PRO 588 -8.138 -10.538 0.734 345 HD3 PRO 588 HD1 PRO 588 -8.685 -11.477 -0.671 346 H GLY 589 HN GLY 589 -13.208 -8.518 0.592 347 HA2 GLY 589 HA2 GLY 589 -12.380 -5.971 1.411 348 HA3 GLY 589 HA1 GLY 589 -13.946 -6.693 1.706 349 H GLU 590 HN GLU 590 -12.985 -8.848 3.382 350 HA GLU 590 HA GLU 590 -13.095 -7.353 5.786 351 HB2 GLU 590 HB2 GLU 590 -13.102 -9.383 7.021 352 HB3 GLU 590 HB1 GLU 590 -14.038 -9.661 5.561 353 HG2 GLU 590 HG2 GLU 590 -11.248 -10.634 6.158 354 HG3 GLU 590 HG1 GLU 590 -12.716 -11.603 6.147 355 H LYS 591 HN LYS 591 -10.484 -8.858 4.116 356 HA LYS 591 HA LYS 591 -8.618 -8.150 6.173 357 HB2 LYS 591 HB2 LYS 591 -8.306 -9.416 3.506 358 HB3 LYS 591 HB1 LYS 591 -6.897 -8.866 4.426 359 HG2 LYS 591 HG2 LYS 591 -7.642 -10.206 6.342 360 HG3 LYS 591 HG1 LYS 591 -8.991 -10.799 5.374 361 HD2 LYS 591 HD2 LYS 591 -6.156 -11.058 4.558 362 HD3 LYS 591 HD1 LYS 591 -6.959 -12.263 5.576 363 HE2 LYS 591 HE2 LYS 591 -7.788 -11.422 2.788 364 HE3 LYS 591 HE1 LYS 591 -7.010 -12.944 3.216 365 HZ1 LYS 591 HZ1 LYS 591 -9.345 -13.331 3.024 366 HZ2 LYS 591 HZ2 LYS 591 -9.713 -12.023 3.998 367 HZ3 LYS 591 HZ3 LYS 591 -8.963 -13.392 4.667 368 H LEU 592 HN LEU 592 -9.816 -6.682 3.317 369 HA LEU 592 HA LEU 592 -7.786 -4.744 3.086 370 HB2 LEU 592 HB2 LEU 592 -10.573 -4.935 2.084 371 HB3 LEU 592 HB1 LEU 592 -9.785 -3.368 2.055 372 HG LEU 592 HG LEU 592 -8.610 -5.822 0.766 373 HD11 LEU 592 HD11 LEU 592 -10.213 -3.561 -0.416 374 HD12 LEU 592 HD12 LEU 592 -10.733 -5.248 -0.314 375 HD13 LEU 592 HD13 LEU 592 -9.364 -4.800 -1.336 376 HD21 LEU 592 HD21 LEU 592 -8.017 -2.902 0.453 377 HD22 LEU 592 HD22 LEU 592 -7.197 -4.281 -0.314 378 HD23 LEU 592 HD23 LEU 592 -7.058 -4.027 1.420 379 H GLY 593 HN GLY 593 -10.551 -5.044 5.092 380 HA2 GLY 593 HA2 GLY 593 -10.907 -2.514 6.112 381 HA3 GLY 593 HA1 GLY 593 -11.110 -3.988 7.051 382 H ARG 594 HN ARG 594 -8.338 -4.796 6.851 383 HA ARG 594 HA ARG 594 -7.316 -3.334 9.048 384 HB2 ARG 594 HB2 ARG 594 -6.798 -5.643 8.994 385 HB3 ARG 594 HB1 ARG 594 -6.180 -5.571 7.359 386 HG2 ARG 594 HG2 ARG 594 -4.409 -5.841 9.019 387 HG3 ARG 594 HG1 ARG 594 -4.244 -4.331 8.122 388 HD2 ARG 594 HD2 ARG 594 -5.246 -3.118 9.929 389 HD3 ARG 594 HD1 ARG 594 -5.518 -4.617 10.808 390 HE ARG 594 HE ARG 594 -2.811 -4.475 10.245 391 HH11 ARG 594 HH11 ARG 594 -5.126 -2.682 12.213 392 HH12 ARG 594 HH12 ARG 594 -3.968 -1.960 13.218 393 HH21 ARG 594 HH21 ARG 594 -1.182 -3.520 11.624 394 HH22 ARG 594 HH22 ARG 594 -1.660 -2.476 12.882 395 H VAL 595 HN VAL 595 -6.585 -3.457 5.606 396 HA VAL 595 HA VAL 595 -4.273 -1.814 5.772 397 HB VAL 595 HB VAL 595 -5.997 -1.925 3.309 398 HG11 VAL 595 HG11 VAL 595 -3.068 -1.715 3.654 399 HG12 VAL 595 HG12 VAL 595 -4.208 -0.447 3.158 400 HG13 VAL 595 HG13 VAL 595 -3.921 -1.846 2.115 401 HG21 VAL 595 HG21 VAL 595 -4.858 -3.952 2.588 402 HG22 VAL 595 HG22 VAL 595 -5.826 -4.237 4.041 403 HG23 VAL 595 HG23 VAL 595 -4.070 -4.058 4.163 404 H VAL 596 HN VAL 596 -7.679 -1.228 5.348 405 HA VAL 596 HA VAL 596 -7.648 1.532 4.876 406 HB VAL 596 HB VAL 596 -9.661 0.252 6.744 407 HG11 VAL 596 HG11 VAL 596 -9.907 2.504 4.782 408 HG12 VAL 596 HG12 VAL 596 -9.813 2.665 6.543 409 HG13 VAL 596 HG13 VAL 596 -11.210 1.878 5.783 410 HG21 VAL 596 HG21 VAL 596 -9.582 -1.203 4.817 411 HG22 VAL 596 HG22 VAL 596 -9.707 0.166 3.728 412 HG23 VAL 596 HG23 VAL 596 -11.069 -0.255 4.770 413 H HIS 597 HN HIS 597 -7.533 -0.255 7.984 414 HA HIS 597 HA HIS 597 -7.469 2.085 9.580 415 HB2 HIS 597 HB2 HIS 597 -6.719 -0.786 10.219 416 HB3 HIS 597 HB1 HIS 597 -6.699 0.505 11.411 417 HD1 HIS 597 HD1 HIS 597 -8.779 -2.234 10.737 418 HD2 HIS 597 HD2 HIS 597 -9.525 1.861 11.054 419 HE1 HIS 597 HE1 HIS 597 -11.178 -2.009 11.324 420 H ILE 598 HN ILE 598 -5.084 0.103 8.043 421 HA ILE 598 HA ILE 598 -2.789 1.054 9.289 422 HB ILE 598 HB ILE 598 -3.109 0.081 6.406 423 HG12 ILE 598 HG12 ILE 598 -2.067 -1.325 8.879 424 HG13 ILE 598 HG11 ILE 598 -3.643 -1.591 8.150 425 HG21 ILE 598 HG21 ILE 598 -0.736 -0.266 6.383 426 HG22 ILE 598 HG22 ILE 598 -0.580 0.580 7.933 427 HG23 ILE 598 HG23 ILE 598 -1.177 1.435 6.496 428 HD11 ILE 598 HD11 ILE 598 -2.135 -3.371 7.551 429 HD12 ILE 598 HD12 ILE 598 -0.959 -2.216 6.922 430 HD13 ILE 598 HD13 ILE 598 -2.498 -2.437 6.102 431 H ILE 599 HN ILE 599 -4.459 2.243 6.356 432 HA ILE 599 HA ILE 599 -2.746 4.425 6.007 433 HB ILE 599 HB ILE 599 -5.543 3.911 5.003 434 HG12 ILE 599 HG12 ILE 599 -2.918 3.676 3.581 435 HG13 ILE 599 HG11 ILE 599 -3.644 2.343 4.477 436 HG21 ILE 599 HG21 ILE 599 -5.059 6.303 4.892 437 HG22 ILE 599 HG22 ILE 599 -4.978 5.614 3.269 438 HG23 ILE 599 HG23 ILE 599 -3.496 5.971 4.161 439 HD11 ILE 599 HD11 ILE 599 -4.151 2.154 2.154 440 HD12 ILE 599 HD12 ILE 599 -4.869 3.790 2.167 441 HD13 ILE 599 HD13 ILE 599 -5.553 2.486 3.171 442 H GLN 600 HN GLN 600 -5.966 4.150 7.593 443 HA GLN 600 HA GLN 600 -6.367 6.837 8.101 444 HB2 GLN 600 HB2 GLN 600 -7.160 4.562 9.892 445 HB3 GLN 600 HB1 GLN 600 -7.825 6.190 9.926 446 HG2 GLN 600 HG2 GLN 600 -8.424 5.798 7.533 447 HG3 GLN 600 HG1 GLN 600 -8.132 4.090 7.843 448 HE21 GLN 600 HE21 GLN 600 -10.134 6.753 8.461 449 HE22 GLN 600 HE22 GLN 600 -11.409 5.930 9.304 450 H SER 601 HN SER 601 -4.320 4.646 9.747 451 HA SER 601 HA SER 601 -3.878 6.027 12.132 452 HB2 SER 601 HB2 SER 601 -1.992 4.337 10.518 453 HB3 SER 601 HB1 SER 601 -1.682 4.850 12.180 454 HG SER 601 HG SER 601 -3.881 3.241 11.289 455 H ARG 602 HN ARG 602 -2.430 6.499 8.938 456 HA ARG 602 HA ARG 602 -0.825 8.690 10.036 457 HB2 ARG 602 HB2 ARG 602 0.311 6.836 8.775 458 HB3 ARG 602 HB1 ARG 602 -0.576 7.319 7.347 459 HG2 ARG 602 HG2 ARG 602 1.276 9.214 8.776 460 HG3 ARG 602 HG1 ARG 602 1.865 8.059 7.588 461 HD2 ARG 602 HD2 ARG 602 0.467 9.071 5.880 462 HD3 ARG 602 HD1 ARG 602 -0.238 10.165 7.073 463 HE ARG 602 HE ARG 602 2.394 10.613 7.289 464 HH11 ARG 602 HH11 ARG 602 0.083 10.865 4.623 465 HH12 ARG 602 HH12 ARG 602 1.044 11.940 3.716 466 HH21 ARG 602 HH21 ARG 602 3.617 12.206 6.134 467 HH22 ARG 602 HH22 ARG 602 3.074 12.781 4.623 468 H GLU 603 HN GLU 603 -3.426 7.921 7.929 469 HA GLU 603 HA GLU 603 -3.492 10.620 6.827 470 HB2 GLU 603 HB2 GLU 603 -4.732 8.060 5.884 471 HB3 GLU 603 HB1 GLU 603 -5.129 9.621 5.193 472 HG2 GLU 603 HG2 GLU 603 -2.401 8.341 5.220 473 HG3 GLU 603 HG1 GLU 603 -3.503 8.388 3.845 474 HA PRO 604 HA PRO 604 -7.094 10.738 9.521 475 HB2 PRO 604 HB2 PRO 604 -6.935 13.305 10.252 476 HB3 PRO 604 HB1 PRO 604 -5.766 12.082 10.821 477 HG2 PRO 604 HG2 PRO 604 -5.410 14.074 8.610 478 HG3 PRO 604 HG1 PRO 604 -4.322 13.701 9.962 479 HD2 PRO 604 HD2 PRO 604 -4.113 12.598 7.452 480 HD3 PRO 604 HD1 PRO 604 -3.494 11.835 8.933 481 H SER 605 HN SER 605 -6.201 11.987 6.591 482 HA SER 605 HA SER 605 -8.408 13.613 5.898 483 HB2 SER 605 HB2 SER 605 -6.515 12.094 4.098 484 HB3 SER 605 HB1 SER 605 -7.429 13.559 3.706 485 HG SER 605 HG SER 605 -5.247 13.998 4.240 486 H LEU 606 HN LEU 606 -7.545 10.212 5.688 487 HA LEU 606 HA LEU 606 -9.664 9.394 4.012 488 HB2 LEU 606 HB2 LEU 606 -7.591 8.127 4.462 489 HB3 LEU 606 HB1 LEU 606 -8.144 7.810 6.084 490 HG LEU 606 HG LEU 606 -9.526 6.824 3.556 491 HD11 LEU 606 HD11 LEU 606 -7.364 5.902 3.732 492 HD12 LEU 606 HD12 LEU 606 -8.579 4.657 4.094 493 HD13 LEU 606 HD13 LEU 606 -7.653 5.423 5.405 494 HD21 LEU 606 HD21 LEU 606 -10.603 5.174 5.145 495 HD22 LEU 606 HD22 LEU 606 -11.100 6.855 5.334 496 HD23 LEU 606 HD23 LEU 606 -9.965 6.172 6.474 497 H ARG 607 HN ARG 607 -9.197 9.488 7.497 498 HA ARG 607 HA ARG 607 -11.495 8.354 8.523 499 HB2 ARG 607 HB2 ARG 607 -10.076 10.769 9.584 500 HB3 ARG 607 HB1 ARG 607 -11.155 9.739 10.494 501 HG2 ARG 607 HG2 ARG 607 -9.629 7.928 10.373 502 HG3 ARG 607 HG1 ARG 607 -8.554 8.811 9.290 503 HD2 ARG 607 HD2 ARG 607 -8.504 10.605 11.103 504 HD3 ARG 607 HD1 ARG 607 -9.290 9.439 12.156 505 HE ARG 607 HE ARG 607 -7.063 8.133 11.306 506 HH11 ARG 607 HH11 ARG 607 -7.686 11.177 13.007 507 HH12 ARG 607 HH12 ARG 607 -6.132 11.314 13.662 508 HH21 ARG 607 HH21 ARG 607 -4.947 8.300 12.158 509 HH22 ARG 607 HH22 ARG 607 -4.477 9.616 13.150 510 H ASP 608 HN ASP 608 -11.170 11.440 7.004 511 HA ASP 608 HA ASP 608 -13.509 12.706 7.968 512 HB2 ASP 608 HB2 ASP 608 -11.768 13.949 6.768 513 HB3 ASP 608 HB1 ASP 608 -12.106 13.043 5.300 514 H SER 609 HN SER 609 -12.933 10.388 5.420 515 HA SER 609 HA SER 609 -15.762 10.319 4.719 516 HB2 SER 609 HB2 SER 609 -13.974 10.397 2.884 517 HB3 SER 609 HB1 SER 609 -13.406 8.834 3.460 518 HG SER 609 HG SER 609 -14.802 8.442 1.770 519 H ASN 610 HN ASN 610 -16.328 7.793 4.382 520 HA ASN 610 HA ASN 610 -15.886 6.644 7.039 521 HB2 ASN 610 HB2 ASN 610 -17.737 5.802 4.804 522 HB3 ASN 610 HB1 ASN 610 -17.520 4.856 6.265 523 HD21 ASN 610 HD21 ASN 610 -17.314 7.362 7.944 524 HD22 ASN 610 HD22 ASN 610 -18.942 7.889 8.047 525 HA PRO 611 HA PRO 611 -12.705 3.882 5.811 526 HB2 PRO 611 HB2 PRO 611 -13.277 1.754 7.499 527 HB3 PRO 611 HB1 PRO 611 -12.346 3.181 7.953 528 HG2 PRO 611 HG2 PRO 611 -15.185 2.515 8.521 529 HG3 PRO 611 HG1 PRO 611 -14.022 3.420 9.496 530 HD2 PRO 611 HD2 PRO 611 -16.023 4.567 8.048 531 HD3 PRO 611 HD1 PRO 611 -14.497 5.400 8.439 532 H ASP 612 HN ASP 612 -15.958 3.160 5.447 533 HA ASP 612 HA ASP 612 -15.989 0.669 4.176 534 HB2 ASP 612 HB2 ASP 612 -18.001 1.999 4.735 535 HB3 ASP 612 HB1 ASP 612 -17.577 3.136 3.479 536 H GLU 613 HN GLU 613 -15.219 3.865 3.150 537 HA GLU 613 HA GLU 613 -14.252 2.895 0.573 538 HB2 GLU 613 HB2 GLU 613 -15.733 4.731 0.248 539 HB3 GLU 613 HB1 GLU 613 -14.981 5.659 1.541 540 HG2 GLU 613 HG2 GLU 613 -12.944 5.843 0.188 541 HG3 GLU 613 HG1 GLU 613 -13.736 4.931 -1.096 542 H ILE 614 HN ILE 614 -12.207 2.355 0.695 543 HA ILE 614 HA ILE 614 -10.422 4.003 2.282 544 HB ILE 614 HB ILE 614 -10.197 1.533 2.496 545 HG12 ILE 614 HG12 ILE 614 -7.813 2.816 1.165 546 HG13 ILE 614 HG11 ILE 614 -8.188 2.838 2.889 547 HG21 ILE 614 HG21 ILE 614 -9.523 1.629 -0.410 548 HG22 ILE 614 HG22 ILE 614 -10.862 0.763 0.365 549 HG23 ILE 614 HG23 ILE 614 -9.200 0.244 0.626 550 HD11 ILE 614 HD11 ILE 614 -7.817 0.469 3.065 551 HD12 ILE 614 HD12 ILE 614 -6.427 1.143 2.194 552 HD13 ILE 614 HD13 ILE 614 -7.704 0.325 1.324 553 H GLU 615 HN GLU 615 -9.352 5.549 1.296 554 HA GLU 615 HA GLU 615 -9.190 5.436 -1.613 555 HB2 GLU 615 HB2 GLU 615 -10.588 7.316 -0.794 556 HB3 GLU 615 HB1 GLU 615 -9.214 7.908 0.133 557 HG2 GLU 615 HG2 GLU 615 -7.979 8.357 -1.866 558 HG3 GLU 615 HG1 GLU 615 -9.221 7.591 -2.855 559 H ILE 616 HN ILE 616 -7.331 4.838 -2.169 560 HA ILE 616 HA ILE 616 -5.090 5.348 -0.365 561 HB ILE 616 HB ILE 616 -5.111 3.380 -2.659 562 HG12 ILE 616 HG12 ILE 616 -5.765 2.868 0.251 563 HG13 ILE 616 HG11 ILE 616 -6.956 2.926 -1.038 564 HG21 ILE 616 HG21 ILE 616 -3.449 3.612 -0.131 565 HG22 ILE 616 HG22 ILE 616 -2.911 4.042 -1.754 566 HG23 ILE 616 HG23 ILE 616 -3.275 2.363 -1.361 567 HD11 ILE 616 HD11 ILE 616 -4.708 0.951 -0.784 568 HD12 ILE 616 HD12 ILE 616 -5.908 0.992 -2.083 569 HD13 ILE 616 HD13 ILE 616 -6.411 0.658 -0.429 570 H ASP 617 HN ASP 617 -4.089 7.114 -0.871 571 HA ASP 617 HA ASP 617 -3.519 7.744 -3.680 572 HB2 ASP 617 HB2 ASP 617 -4.620 9.526 -2.309 573 HB3 ASP 617 HB1 ASP 617 -3.254 9.470 -1.203 574 H PHE 618 HN PHE 618 -1.743 6.655 -4.134 575 HA PHE 618 HA PHE 618 0.153 5.860 -2.174 576 HB2 PHE 618 HB2 PHE 618 0.254 5.652 -5.182 577 HB3 PHE 618 HB1 PHE 618 1.408 4.928 -4.069 578 HD1 PHE 618 HD1 PHE 618 1.009 2.865 -3.087 579 HD2 PHE 618 HD2 PHE 618 -2.155 4.887 -5.083 580 HE1 PHE 618 HE1 PHE 618 -0.361 0.835 -2.963 581 HE2 PHE 618 HE2 PHE 618 -3.536 2.855 -4.959 582 HZ PHE 618 HZ PHE 618 -2.634 0.823 -3.896 583 H GLU 619 HN GLU 619 -0.147 8.816 -3.634 584 HA GLU 619 HA GLU 619 2.721 9.204 -3.972 585 HB2 GLU 619 HB2 GLU 619 0.391 10.949 -4.698 586 HB3 GLU 619 HB1 GLU 619 2.072 11.346 -5.009 587 HG2 GLU 619 HG2 GLU 619 0.646 8.938 -6.115 588 HG3 GLU 619 HG1 GLU 619 0.887 10.461 -6.971 589 H THR 620 HN THR 620 -0.022 10.424 -2.135 590 HA THR 620 HA THR 620 1.677 12.306 -0.751 591 HB THR 620 HB THR 620 -0.443 12.772 0.592 592 HG1 THR 620 HG1 THR 620 -1.557 11.142 -1.458 593 HG21 THR 620 HG21 THR 620 -0.571 13.057 -2.417 594 HG22 THR 620 HG22 THR 620 0.247 14.169 -1.320 595 HG23 THR 620 HG23 THR 620 -1.507 14.001 -1.260 596 H LEU 621 HN LEU 621 0.672 9.101 -0.316 597 HA LEU 621 HA LEU 621 0.889 8.867 2.475 598 HB2 LEU 621 HB2 LEU 621 1.170 6.925 0.226 599 HB3 LEU 621 HB1 LEU 621 1.475 6.441 1.885 600 HG LEU 621 HG LEU 621 -1.159 7.566 0.921 601 HD11 LEU 621 HD11 LEU 621 -1.937 5.246 1.043 602 HD12 LEU 621 HD12 LEU 621 -0.291 4.726 1.431 603 HD13 LEU 621 HD13 LEU 621 -0.648 5.417 -0.154 604 HD21 LEU 621 HD21 LEU 621 -0.296 6.142 3.409 605 HD22 LEU 621 HD22 LEU 621 -1.953 6.625 3.011 606 HD23 LEU 621 HD23 LEU 621 -0.720 7.858 3.302 607 H LYS 622 HN LYS 622 2.520 8.442 3.779 608 HA LYS 622 HA LYS 622 5.190 8.995 2.860 609 HB2 LYS 622 HB2 LYS 622 4.415 9.890 5.048 610 HB3 LYS 622 HB1 LYS 622 4.121 8.260 5.624 611 HG2 LYS 622 HG2 LYS 622 6.555 7.791 5.454 612 HG3 LYS 622 HG1 LYS 622 6.814 9.455 4.956 613 HD2 LYS 622 HD2 LYS 622 5.538 8.685 7.572 614 HD3 LYS 622 HD1 LYS 622 7.269 8.930 7.388 615 HE2 LYS 622 HE2 LYS 622 5.164 11.008 6.791 616 HE3 LYS 622 HE1 LYS 622 6.058 10.894 8.306 617 HZ1 LYS 622 HZ1 LYS 622 7.016 12.530 6.837 618 HZ2 LYS 622 HZ2 LYS 622 7.273 11.366 5.629 619 HZ3 LYS 622 HZ3 LYS 622 8.111 11.280 7.065 620 HA PRO 623 HA PRO 623 6.679 4.813 2.003 621 HB2 PRO 623 HB2 PRO 623 8.936 5.062 3.795 622 HB3 PRO 623 HB1 PRO 623 8.909 5.190 2.043 623 HG2 PRO 623 HG2 PRO 623 8.764 7.290 4.112 624 HG3 PRO 623 HG1 PRO 623 9.443 7.390 2.473 625 HD2 PRO 623 HD2 PRO 623 7.161 8.594 3.069 626 HD3 PRO 623 HD1 PRO 623 7.325 7.745 1.517 627 H THR 624 HN THR 624 6.300 5.891 5.357 628 HA THR 624 HA THR 624 6.732 3.503 6.716 629 HB THR 624 HB THR 624 5.032 4.634 8.322 630 HG1 THR 624 HG1 THR 624 4.633 6.782 7.858 631 HG21 THR 624 HG21 THR 624 7.430 4.729 8.759 632 HG22 THR 624 HG22 THR 624 6.724 6.320 9.042 633 HG23 THR 624 HG23 THR 624 7.621 6.005 7.557 634 H THR 625 HN THR 625 3.780 5.078 5.706 635 HA THR 625 HA THR 625 2.060 2.983 6.427 636 HB THR 625 HB THR 625 1.566 5.242 4.496 637 HG1 THR 625 HG1 THR 625 2.087 5.210 7.180 638 HG21 THR 625 HG21 THR 625 -0.203 3.544 4.582 639 HG22 THR 625 HG22 THR 625 -0.753 5.056 5.310 640 HG23 THR 625 HG23 THR 625 -0.274 3.696 6.336 641 H LEU 626 HN LEU 626 3.313 4.169 3.342 642 HA LEU 626 HA LEU 626 2.074 2.440 1.608 643 HB2 LEU 626 HB2 LEU 626 4.799 3.672 1.510 644 HB3 LEU 626 HB1 LEU 626 4.207 2.659 0.208 645 HG LEU 626 HG LEU 626 2.772 5.124 1.154 646 HD11 LEU 626 HD11 LEU 626 3.753 6.221 -0.825 647 HD12 LEU 626 HD12 LEU 626 4.716 4.776 -1.140 648 HD13 LEU 626 HD13 LEU 626 5.000 5.727 0.318 649 HD21 LEU 626 HD21 LEU 626 1.689 4.955 -1.039 650 HD22 LEU 626 HD22 LEU 626 1.385 3.534 -0.048 651 HD23 LEU 626 HD23 LEU 626 2.569 3.461 -1.355 652 H ARG 627 HN ARG 627 5.106 1.902 3.389 653 HA ARG 627 HA ARG 627 5.486 -0.639 2.219 654 HB2 ARG 627 HB2 ARG 627 7.298 0.777 3.256 655 HB3 ARG 627 HB1 ARG 627 6.629 0.290 4.822 656 HG2 ARG 627 HG2 ARG 627 7.013 -2.048 4.280 657 HG3 ARG 627 HG1 ARG 627 7.622 -1.591 2.694 658 HD2 ARG 627 HD2 ARG 627 9.443 -0.349 3.857 659 HD3 ARG 627 HD1 ARG 627 8.872 -1.057 5.375 660 HE ARG 627 HE ARG 627 9.381 -2.907 3.220 661 HH11 ARG 627 HH11 ARG 627 10.643 -1.501 6.259 662 HH12 ARG 627 HH12 ARG 627 11.909 -2.614 6.355 663 HH21 ARG 627 HH21 ARG 627 11.146 -4.413 3.426 664 HH22 ARG 627 HH22 ARG 627 12.246 -4.230 4.717 665 H GLU 628 HN GLU 628 3.907 0.499 5.158 666 HA GLU 628 HA GLU 628 3.639 -2.010 6.404 667 HB2 GLU 628 HB2 GLU 628 3.321 0.239 7.486 668 HB3 GLU 628 HB1 GLU 628 1.781 0.364 6.650 669 HG2 GLU 628 HG2 GLU 628 1.425 -0.324 8.921 670 HG3 GLU 628 HG1 GLU 628 1.002 -1.642 7.836 671 H LEU 629 HN LEU 629 1.610 -0.246 4.116 672 HA LEU 629 HA LEU 629 -0.651 -1.954 3.882 673 HB2 LEU 629 HB2 LEU 629 0.764 -0.699 1.533 674 HB3 LEU 629 HB1 LEU 629 -0.934 -1.096 1.693 675 HG LEU 629 HG LEU 629 0.532 1.165 3.034 676 HD11 LEU 629 HD11 LEU 629 -1.540 1.135 0.856 677 HD12 LEU 629 HD12 LEU 629 0.171 1.521 0.669 678 HD13 LEU 629 HD13 LEU 629 -0.875 2.576 1.623 679 HD21 LEU 629 HD21 LEU 629 -2.391 0.479 3.120 680 HD22 LEU 629 HD22 LEU 629 -1.613 1.889 3.838 681 HD23 LEU 629 HD23 LEU 629 -1.274 0.282 4.470 682 H GLU 630 HN GLU 630 2.424 -1.913 2.095 683 HA GLU 630 HA GLU 630 1.854 -4.147 0.534 684 HB2 GLU 630 HB2 GLU 630 3.620 -2.436 0.032 685 HB3 GLU 630 HB1 GLU 630 4.624 -3.229 1.241 686 HG2 GLU 630 HG2 GLU 630 4.354 -5.357 -0.007 687 HG3 GLU 630 HG1 GLU 630 3.542 -4.449 -1.276 688 H ARG 631 HN ARG 631 3.608 -3.789 3.528 689 HA ARG 631 HA ARG 631 4.638 -6.394 3.834 690 HB2 ARG 631 HB2 ARG 631 3.885 -4.286 5.843 691 HB3 ARG 631 HB1 ARG 631 4.558 -5.830 6.336 692 HG2 ARG 631 HG2 ARG 631 6.611 -5.387 5.230 693 HG3 ARG 631 HG1 ARG 631 5.931 -3.988 4.397 694 HD2 ARG 631 HD2 ARG 631 7.393 -3.358 6.290 695 HD3 ARG 631 HD1 ARG 631 5.741 -2.785 6.486 696 HE ARG 631 HE ARG 631 6.251 -5.311 7.730 697 HH11 ARG 631 HH11 ARG 631 6.515 -1.811 8.191 698 HH12 ARG 631 HH12 ARG 631 6.364 -1.845 9.870 699 HH21 ARG 631 HH21 ARG 631 6.050 -5.409 10.042 700 HH22 ARG 631 HH22 ARG 631 6.104 -3.981 10.977 701 H TYR 632 HN TYR 632 1.530 -5.087 4.502 702 HA TYR 632 HA TYR 632 0.698 -7.460 5.854 703 HB2 TYR 632 HB2 TYR 632 -0.231 -5.497 6.647 704 HB3 TYR 632 HB1 TYR 632 -0.800 -4.969 5.054 705 HD1 TYR 632 HD1 TYR 632 -2.849 -5.721 4.223 706 HD2 TYR 632 HD2 TYR 632 -1.292 -7.438 7.767 707 HE1 TYR 632 HE1 TYR 632 -4.948 -6.886 4.540 708 HE2 TYR 632 HE2 TYR 632 -3.402 -8.635 8.135 709 HH TYR 632 HH TYR 632 -5.820 -8.355 7.444 710 H VAL 633 HN VAL 633 -0.134 -5.899 2.761 711 HA VAL 633 HA VAL 633 -1.855 -7.910 1.899 712 HB VAL 633 HB VAL 633 -1.663 -7.030 -0.369 713 HG11 VAL 633 HG11 VAL 633 -2.960 -5.671 1.166 714 HG12 VAL 633 HG12 VAL 633 -2.120 -4.669 -0.017 715 HG13 VAL 633 HG13 VAL 633 -1.496 -4.796 1.627 716 HG21 VAL 633 HG21 VAL 633 0.761 -5.630 0.667 717 HG22 VAL 633 HG22 VAL 633 -0.012 -5.186 -0.858 718 HG23 VAL 633 HG23 VAL 633 0.707 -6.794 -0.656 719 H LYS 634 HN LYS 634 1.645 -7.645 1.564 720 HA LYS 634 HA LYS 634 1.979 -9.848 -0.136 721 HB2 LYS 634 HB2 LYS 634 4.349 -9.769 0.369 722 HB3 LYS 634 HB1 LYS 634 3.727 -8.116 0.391 723 HG2 LYS 634 HG2 LYS 634 3.798 -8.020 2.738 724 HG3 LYS 634 HG1 LYS 634 4.149 -9.730 2.876 725 HD2 LYS 634 HD2 LYS 634 6.177 -8.520 3.299 726 HD3 LYS 634 HD1 LYS 634 6.341 -9.332 1.751 727 HE2 LYS 634 HE2 LYS 634 5.487 -6.460 1.953 728 HE3 LYS 634 HE1 LYS 634 7.189 -6.899 1.992 729 HZ1 LYS 634 HZ1 LYS 634 6.469 -6.257 -0.218 730 HZ2 LYS 634 HZ2 LYS 634 5.305 -7.472 -0.268 731 HZ3 LYS 634 HZ3 LYS 634 6.935 -7.867 -0.218 732 H SER 635 HN SER 635 1.516 -9.637 3.324 733 HA SER 635 HA SER 635 2.384 -12.268 3.908 734 HB2 SER 635 HB2 SER 635 0.513 -10.438 5.435 735 HB3 SER 635 HB1 SER 635 1.225 -11.922 6.078 736 HG SER 635 HG SER 635 2.533 -9.496 5.353 737 H CYS 636 HN CYS 636 -0.587 -10.901 2.747 738 HA CYS 636 HA CYS 636 -2.132 -13.273 3.269 739 HB2 CYS 636 HB2 CYS 636 -3.162 -11.024 3.331 740 HB3 CYS 636 HB1 CYS 636 -2.803 -10.832 1.620 741 HG CYS 636 HG CYS 636 -4.685 -12.449 0.652 742 H LEU 637 HN LEU 637 -0.663 -11.661 0.461 743 HA LEU 637 HA LEU 637 -1.514 -13.680 -1.353 744 HB2 LEU 637 HB2 LEU 637 0.419 -11.408 -1.585 745 HB3 LEU 637 HB1 LEU 637 0.357 -12.632 -2.836 746 HG LEU 637 HG LEU 637 -0.926 -10.726 -3.530 747 HD11 LEU 637 HD11 LEU 637 -2.774 -12.960 -2.767 748 HD12 LEU 637 HD12 LEU 637 -1.752 -12.872 -4.201 749 HD13 LEU 637 HD13 LEU 637 -3.068 -11.721 -3.989 750 HD21 LEU 637 HD21 LEU 637 -2.904 -9.942 -2.333 751 HD22 LEU 637 HD22 LEU 637 -1.444 -9.763 -1.356 752 HD23 LEU 637 HD23 LEU 637 -2.566 -11.083 -1.031 753 H GLN 638 HN GLN 638 1.115 -13.455 0.805 754 HA GLN 638 HA GLN 638 2.745 -15.431 -0.343 755 HB2 GLN 638 HB2 GLN 638 3.304 -13.755 1.495 756 HB3 GLN 638 HB1 GLN 638 2.389 -14.765 2.585 757 HG2 GLN 638 HG2 GLN 638 4.666 -15.907 1.056 758 HG3 GLN 638 HG1 GLN 638 4.974 -14.888 2.453 759 HE21 GLN 638 HE21 GLN 638 3.893 -17.974 1.358 760 HE22 GLN 638 HE22 GLN 638 3.799 -18.728 2.912 761 H LYS 639 HN LYS 639 -0.199 -15.390 1.521 762 HA LYS 639 HA LYS 639 -1.655 -16.944 2.243 763 HB2 LYS 639 HB2 LYS 639 -0.255 -18.582 0.117 764 HB3 LYS 639 HB1 LYS 639 -1.694 -19.130 0.961 765 HG2 LYS 639 HG2 LYS 639 -3.056 -17.522 -0.036 766 HG3 LYS 639 HG1 LYS 639 -1.686 -16.501 -0.468 767 HD2 LYS 639 HD2 LYS 639 -2.184 -19.218 -1.669 768 HD3 LYS 639 HD1 LYS 639 -2.768 -17.718 -2.390 769 HE2 LYS 639 HE2 LYS 639 -0.409 -16.895 -2.418 770 HE3 LYS 639 HE1 LYS 639 0.111 -18.477 -1.852 771 HZ1 LYS 639 HZ1 LYS 639 -0.815 -19.440 -3.879 772 HZ2 LYS 639 HZ2 LYS 639 0.366 -18.293 -4.196 773 HZ3 LYS 639 HZ3 LYS 639 -1.253 -17.895 -4.411 774 H LYS 640 HN LYS 640 0.128 -16.510 3.913 775 HA LYS 640 HA LYS 640 1.959 -18.471 4.649 776 HB2 LYS 640 HB2 LYS 640 2.023 -16.144 5.419 777 HB3 LYS 640 HB1 LYS 640 0.580 -16.420 6.384 778 HG2 LYS 640 HG2 LYS 640 1.772 -17.984 7.780 779 HG3 LYS 640 HG1 LYS 640 3.208 -17.839 6.767 780 HD2 LYS 640 HD2 LYS 640 1.959 -15.590 8.358 781 HD3 LYS 640 HD1 LYS 640 3.365 -16.521 8.858 782 HE2 LYS 640 HE2 LYS 640 3.165 -14.738 6.415 783 HE3 LYS 640 HE1 LYS 640 4.032 -14.390 7.901 784 HZ1 LYS 640 HZ1 LYS 640 5.562 -15.137 6.245 785 HZ2 LYS 640 HZ2 LYS 640 4.688 -16.527 5.936 786 HZ3 LYS 640 HZ3 LYS 640 5.462 -16.328 7.431 787 H GLN 641 HN GLN 641 -1.409 -18.007 5.603 788 HA GLN 641 HA GLN 641 -1.338 -20.690 6.760 789 HB2 GLN 641 HB2 GLN 641 -2.984 -20.011 8.415 790 HB3 GLN 641 HB1 GLN 641 -1.538 -19.030 8.576 791 HG2 GLN 641 HG2 GLN 641 -2.592 -17.149 7.613 792 HG3 GLN 641 HG1 GLN 641 -3.948 -18.114 7.039 793 HE21 GLN 641 HE21 GLN 641 -2.478 -16.635 9.797 794 HE22 GLN 641 HE22 GLN 641 -3.841 -16.762 10.843 795 H ARG 642 HN ARG 642 -3.558 -21.629 6.797 796 HA ARG 642 HA ARG 642 -5.364 -20.481 4.850 797 HB2 ARG 642 HB2 ARG 642 -3.995 -21.930 3.488 798 HB3 ARG 642 HB1 ARG 642 -4.205 -23.257 4.617 799 HG2 ARG 642 HG2 ARG 642 -6.537 -23.438 4.052 800 HG3 ARG 642 HG1 ARG 642 -6.444 -21.996 3.044 801 HD2 ARG 642 HD2 ARG 642 -6.394 -24.060 1.719 802 HD3 ARG 642 HD1 ARG 642 -4.930 -23.103 1.530 803 HE ARG 642 HE ARG 642 -4.717 -25.121 3.550 804 HH11 ARG 642 HH11 ARG 642 -4.449 -24.498 0.093 805 HH12 ARG 642 HH12 ARG 642 -3.399 -25.795 -0.224 806 HH21 ARG 642 HH21 ARG 642 -3.237 -26.939 3.112 807 HH22 ARG 642 HH22 ARG 642 -2.695 -27.194 1.514 808 H LYS 643 HN LYS 643 -7.157 -20.273 5.936 809 HA LYS 643 HA LYS 643 -8.038 -22.469 7.658 810 HB2 LYS 643 HB2 LYS 643 -8.967 -19.582 7.506 811 HB3 LYS 643 HB1 LYS 643 -9.721 -20.807 8.502 812 HG2 LYS 643 HG2 LYS 643 -6.901 -19.781 8.806 813 HG3 LYS 643 HG1 LYS 643 -8.282 -19.315 9.795 814 HD2 LYS 643 HD2 LYS 643 -8.505 -21.751 10.430 815 HD3 LYS 643 HD1 LYS 643 -6.960 -22.023 9.619 816 HE2 LYS 643 HE2 LYS 643 -7.462 -20.191 11.971 817 HE3 LYS 643 HE1 LYS 643 -6.625 -21.736 12.012 818 HZ1 LYS 643 HZ1 LYS 643 -4.918 -20.786 10.572 819 HZ2 LYS 643 HZ2 LYS 643 -5.059 -19.925 12.000 820 HZ3 LYS 643 HZ3 LYS 643 -5.699 -19.289 10.583 821 HA PRO 644 HA PRO 644 -10.919 -23.161 4.295 822 HB2 PRO 644 HB2 PRO 644 -12.217 -25.282 5.438 823 HB3 PRO 644 HB1 PRO 644 -10.657 -25.437 4.625 824 HG2 PRO 644 HG2 PRO 644 -11.281 -25.376 7.531 825 HG3 PRO 644 HG1 PRO 644 -9.998 -26.236 6.668 826 HD2 PRO 644 HD2 PRO 644 -9.667 -23.891 8.106 827 HD3 PRO 644 HD1 PRO 644 -8.562 -24.497 6.862 Start of MODEL 6 1 H1 LYS 290 HT1 LYS 290 -7.103 14.980 -7.748 2 H2 LYS 290 HT2 LYS 290 -6.522 14.249 -9.157 3 H3 LYS 290 HT3 LYS 290 -5.750 15.606 -8.549 4 HA LYS 290 HA LYS 290 -5.018 14.429 -6.650 5 HB2 LYS 290 HB2 LYS 290 -6.851 12.838 -6.422 6 HB3 LYS 290 HB1 LYS 290 -6.440 12.087 -7.956 7 HG2 LYS 290 HG2 LYS 290 -4.311 11.337 -7.014 8 HG3 LYS 290 HG1 LYS 290 -4.733 12.083 -5.476 9 HD2 LYS 290 HD2 LYS 290 -6.377 9.931 -6.803 10 HD3 LYS 290 HD1 LYS 290 -5.126 9.602 -5.610 11 HE2 LYS 290 HE2 LYS 290 -7.577 11.305 -5.150 12 HE3 LYS 290 HE1 LYS 290 -7.383 9.637 -4.619 13 HZ1 LYS 290 HZ1 LYS 290 -6.878 10.868 -2.770 14 HZ2 LYS 290 HZ2 LYS 290 -6.117 12.089 -3.603 15 HZ3 LYS 290 HZ3 LYS 290 -5.306 10.629 -3.394 16 H VAL 291 HN VAL 291 -2.891 14.198 -6.927 17 HA VAL 291 HA VAL 291 -1.816 14.045 -9.524 18 HB VAL 291 HB VAL 291 -0.762 15.342 -7.716 19 HG11 VAL 291 HG11 VAL 291 0.042 12.699 -6.542 20 HG12 VAL 291 HG12 VAL 291 -1.065 13.872 -5.833 21 HG13 VAL 291 HG13 VAL 291 0.643 14.274 -6.021 22 HG21 VAL 291 HG21 VAL 291 1.587 14.762 -8.196 23 HG22 VAL 291 HG22 VAL 291 0.583 14.794 -9.648 24 HG23 VAL 291 HG23 VAL 291 1.041 13.251 -8.926 25 H ALA 292 HN ALA 292 -2.301 11.638 -7.056 26 HA ALA 292 HA ALA 292 -0.523 9.668 -7.968 27 HB1 ALA 292 HB1 ALA 292 -1.598 9.614 -5.751 28 HB2 ALA 292 HB2 ALA 292 -1.827 8.102 -6.632 29 HB3 ALA 292 HB3 ALA 292 -3.146 9.268 -6.523 30 HA PRO 293 HA PRO 293 -2.788 8.648 -11.737 31 HB2 PRO 293 HB2 PRO 293 -0.961 6.985 -12.791 32 HB3 PRO 293 HB1 PRO 293 -0.718 8.735 -12.771 33 HG2 PRO 293 HG2 PRO 293 0.402 6.645 -10.941 34 HG3 PRO 293 HG1 PRO 293 1.220 8.039 -11.670 35 HD2 PRO 293 HD2 PRO 293 0.305 8.016 -9.102 36 HD3 PRO 293 HD1 PRO 293 0.418 9.495 -10.077 37 H LEU 294 HN LEU 294 -2.007 6.682 -9.172 38 HA LEU 294 HA LEU 294 -3.052 4.231 -10.276 39 HB2 LEU 294 HB2 LEU 294 -2.196 4.953 -7.477 40 HB3 LEU 294 HB1 LEU 294 -2.749 3.357 -7.951 41 HG LEU 294 HG LEU 294 -0.351 4.681 -9.223 42 HD11 LEU 294 HD11 LEU 294 -0.450 2.744 -6.922 43 HD12 LEU 294 HD12 LEU 294 0.045 4.435 -6.831 44 HD13 LEU 294 HD13 LEU 294 0.995 3.280 -7.768 45 HD21 LEU 294 HD21 LEU 294 0.198 2.417 -9.880 46 HD22 LEU 294 HD22 LEU 294 -1.407 2.838 -10.479 47 HD23 LEU 294 HD23 LEU 294 -1.228 1.804 -9.055 48 H LYS 295 HN LYS 295 -3.967 5.763 -7.225 49 HA LYS 295 HA LYS 295 -5.930 6.177 -6.216 50 HB2 LYS 295 HB2 LYS 295 -6.156 7.911 -7.906 51 HB3 LYS 295 HB1 LYS 295 -6.818 6.750 -9.045 52 HG2 LYS 295 HG2 LYS 295 -8.779 6.456 -7.616 53 HG3 LYS 295 HG1 LYS 295 -8.126 7.626 -6.472 54 HD2 LYS 295 HD2 LYS 295 -9.812 8.657 -7.906 55 HD3 LYS 295 HD1 LYS 295 -8.224 9.359 -8.204 56 HE2 LYS 295 HE2 LYS 295 -9.420 8.988 -10.293 57 HE3 LYS 295 HE1 LYS 295 -7.983 7.991 -10.216 58 HZ1 LYS 295 HZ1 LYS 295 -10.737 7.015 -9.631 59 HZ2 LYS 295 HZ2 LYS 295 -9.328 6.066 -9.757 60 HZ3 LYS 295 HZ3 LYS 295 -9.942 6.857 -11.095 61 H ILE 296 HN ILE 296 -6.544 4.308 -5.288 62 HA ILE 296 HA ILE 296 -8.532 2.819 -6.769 63 HB ILE 296 HB ILE 296 -6.550 1.439 -6.875 64 HG12 ILE 296 HG12 ILE 296 -7.280 -0.616 -5.642 65 HG13 ILE 296 HG11 ILE 296 -8.466 0.367 -4.794 66 HG21 ILE 296 HG21 ILE 296 -6.336 1.719 -3.908 67 HG22 ILE 296 HG22 ILE 296 -5.231 2.356 -5.126 68 HG23 ILE 296 HG23 ILE 296 -5.369 0.611 -4.884 69 HD11 ILE 296 HD11 ILE 296 -9.562 0.870 -6.925 70 HD12 ILE 296 HD12 ILE 296 -9.483 -0.863 -6.614 71 HD13 ILE 296 HD13 ILE 296 -8.369 -0.125 -7.765 72 H LYS 297 HN LYS 297 -10.344 2.515 -5.726 73 HA LYS 297 HA LYS 297 -10.418 2.905 -2.834 74 HB2 LYS 297 HB2 LYS 297 -12.258 4.087 -4.897 75 HB3 LYS 297 HB1 LYS 297 -12.669 3.997 -3.192 76 HG2 LYS 297 HG2 LYS 297 -10.720 5.329 -2.669 77 HG3 LYS 297 HG1 LYS 297 -10.373 5.560 -4.405 78 HD2 LYS 297 HD2 LYS 297 -12.791 6.431 -2.810 79 HD3 LYS 297 HD1 LYS 297 -11.520 7.473 -3.437 80 HE2 LYS 297 HE2 LYS 297 -12.198 7.045 -5.682 81 HE3 LYS 297 HE1 LYS 297 -13.331 5.796 -5.153 82 HZ1 LYS 297 HZ1 LYS 297 -14.488 7.861 -5.604 83 HZ2 LYS 297 HZ2 LYS 297 -13.523 8.681 -4.505 84 HZ3 LYS 297 HZ3 LYS 297 -14.561 7.458 -3.966 85 H LEU 298 HN LEU 298 -12.051 1.770 -1.780 86 HA LEU 298 HA LEU 298 -12.991 -0.544 -3.265 87 HB2 LEU 298 HB2 LEU 298 -13.209 0.108 -0.350 88 HB3 LEU 298 HB1 LEU 298 -14.178 -1.157 -1.049 89 HG LEU 298 HG LEU 298 -11.278 -1.157 -0.290 90 HD11 LEU 298 HD11 LEU 298 -11.957 -3.368 0.493 91 HD12 LEU 298 HD12 LEU 298 -13.537 -3.092 -0.208 92 HD13 LEU 298 HD13 LEU 298 -12.964 -2.056 1.087 93 HD21 LEU 298 HD21 LEU 298 -11.238 -1.617 -2.778 94 HD22 LEU 298 HD22 LEU 298 -12.388 -2.929 -2.515 95 HD23 LEU 298 HD23 LEU 298 -10.775 -2.998 -1.809 96 H GLY 299 HN GLY 299 -15.019 0.948 -0.797 97 HA2 GLY 299 HA2 GLY 299 -17.102 1.937 -1.065 98 HA3 GLY 299 HA1 GLY 299 -17.022 1.614 -2.804 99 H GLY 300 HN GLY 300 -17.274 0.030 0.323 100 HA2 GLY 300 HA2 GLY 300 -18.024 -2.465 -0.984 101 HA3 GLY 300 HA1 GLY 300 -17.628 -2.256 0.708 102 H PHE 301 HN PHE 301 -19.932 -0.496 -1.256 103 HA PHE 301 HA PHE 301 -22.139 -0.063 -1.055 104 HB2 PHE 301 HB2 PHE 301 -22.276 -2.974 -0.222 105 HB3 PHE 301 HB1 PHE 301 -23.639 -2.004 -0.765 106 HD1 PHE 301 HD1 PHE 301 -23.565 -1.074 -3.137 107 HD2 PHE 301 HD2 PHE 301 -20.934 -4.119 -1.749 108 HE1 PHE 301 HE1 PHE 301 -23.086 -1.715 -5.461 109 HE2 PHE 301 HE2 PHE 301 -20.451 -4.762 -4.072 110 HZ PHE 301 HZ PHE 301 -21.528 -3.560 -5.931 111 H ALA 557 HN ALA 557 13.365 13.445 24.188 112 HA ALA 557 HA ALA 557 15.743 13.275 25.592 113 HB1 ALA 557 HB1 ALA 557 16.318 10.944 25.121 114 HB2 ALA 557 HB2 ALA 557 14.689 10.665 24.512 115 HB3 ALA 557 HB3 ALA 557 14.939 11.046 26.215 116 H SER 558 HN SER 558 17.474 13.350 24.135 117 HA SER 558 HA SER 558 16.715 14.022 21.436 118 HB2 SER 558 HB2 SER 558 18.423 15.351 22.729 119 HB3 SER 558 HB1 SER 558 19.494 13.956 22.663 120 HG SER 558 HG SER 558 19.006 14.222 20.213 121 H ALA 559 HN ALA 559 18.046 11.341 23.159 122 HA ALA 559 HA ALA 559 19.086 10.041 20.821 123 HB1 ALA 559 HB1 ALA 559 20.110 9.604 22.998 124 HB2 ALA 559 HB2 ALA 559 19.453 8.125 22.302 125 HB3 ALA 559 HB3 ALA 559 18.582 8.953 23.593 126 H SER 560 HN SER 560 17.845 9.112 19.398 127 HA SER 560 HA SER 560 15.617 7.498 20.197 128 HB2 SER 560 HB2 SER 560 15.283 9.814 18.262 129 HB3 SER 560 HB1 SER 560 14.044 8.630 18.676 130 HG SER 560 HG SER 560 15.008 9.668 20.913 131 H TYR 561 HN TYR 561 15.048 6.081 18.398 132 HA TYR 561 HA TYR 561 17.419 5.714 16.757 133 HB2 TYR 561 HB2 TYR 561 15.155 3.805 17.272 134 HB3 TYR 561 HB1 TYR 561 16.675 3.441 16.467 135 HD1 TYR 561 HD1 TYR 561 18.837 3.944 17.898 136 HD2 TYR 561 HD2 TYR 561 14.963 3.297 19.528 137 HE1 TYR 561 HE1 TYR 561 19.848 3.345 20.051 138 HE2 TYR 561 HE2 TYR 561 15.967 2.692 21.685 139 HH TYR 561 HH TYR 561 18.038 1.898 22.560 140 H ASP 562 HN ASP 562 17.291 6.651 14.886 141 HA ASP 562 HA ASP 562 14.838 6.285 13.315 142 HB2 ASP 562 HB2 ASP 562 15.337 8.666 13.602 143 HB3 ASP 562 HB1 ASP 562 16.985 8.406 13.026 144 H SER 563 HN SER 563 15.036 5.146 11.485 145 HA SER 563 HA SER 563 17.588 3.821 11.196 146 HB2 SER 563 HB2 SER 563 16.084 2.130 10.017 147 HB3 SER 563 HB1 SER 563 15.933 2.277 11.769 148 HG SER 563 HG SER 563 13.957 2.738 11.457 149 H GLU 564 HN GLU 564 18.475 3.517 9.235 150 HA GLU 564 HA GLU 564 17.252 4.861 6.951 151 HB2 GLU 564 HB2 GLU 564 19.330 5.954 7.819 152 HB3 GLU 564 HB1 GLU 564 20.152 4.409 7.544 153 HG2 GLU 564 HG2 GLU 564 20.603 6.072 5.778 154 HG3 GLU 564 HG1 GLU 564 19.869 4.581 5.193 155 H GLU 565 HN GLU 565 17.967 3.794 4.989 156 HA GLU 565 HA GLU 565 17.942 1.940 3.599 157 HB2 GLU 565 HB2 GLU 565 20.204 1.597 4.605 158 HB3 GLU 565 HB1 GLU 565 19.488 0.674 5.903 159 HG2 GLU 565 HG2 GLU 565 20.604 -0.754 4.272 160 HG3 GLU 565 HG1 GLU 565 18.876 -1.084 4.337 161 H GLU 566 HN GLU 566 15.946 2.358 5.893 162 HA GLU 566 HA GLU 566 14.926 -0.336 6.252 163 HB2 GLU 566 HB2 GLU 566 15.029 1.111 8.240 164 HB3 GLU 566 HB1 GLU 566 14.054 2.321 7.432 165 HG2 GLU 566 HG2 GLU 566 12.777 1.059 9.073 166 HG3 GLU 566 HG1 GLU 566 12.138 0.841 7.450 167 H GLU 567 HN GLU 567 12.860 -0.878 5.611 168 HA GLU 567 HA GLU 567 12.235 -0.135 2.996 169 HB2 GLU 567 HB2 GLU 567 10.600 -1.632 5.023 170 HB3 GLU 567 HB1 GLU 567 10.211 -1.513 3.314 171 HG2 GLU 567 HG2 GLU 567 12.721 -2.647 4.430 172 HG3 GLU 567 HG1 GLU 567 11.326 -3.622 3.928 173 H GLU 568 HN GLU 568 11.380 1.269 5.921 174 HA GLU 568 HA GLU 568 8.914 2.530 5.018 175 HB2 GLU 568 HB2 GLU 568 10.352 2.558 7.644 176 HB3 GLU 568 HB1 GLU 568 8.859 3.418 7.297 177 HG2 GLU 568 HG2 GLU 568 7.696 1.348 6.922 178 HG3 GLU 568 HG1 GLU 568 9.199 0.443 7.064 179 H GLY 569 HN GLY 569 11.964 3.179 4.501 180 HA2 GLY 569 HA2 GLY 569 11.444 6.080 4.429 181 HA3 GLY 569 HA1 GLY 569 12.965 5.497 5.087 182 H LEU 570 HN LEU 570 11.935 3.484 2.699 183 HA LEU 570 HA LEU 570 13.852 4.616 0.831 184 HB2 LEU 570 HB2 LEU 570 12.496 1.915 0.887 185 HB3 LEU 570 HB1 LEU 570 13.679 2.414 -0.301 186 HG LEU 570 HG LEU 570 14.156 1.986 2.643 187 HD11 LEU 570 HD11 LEU 570 13.905 -0.079 1.412 188 HD12 LEU 570 HD12 LEU 570 15.576 0.147 1.923 189 HD13 LEU 570 HD13 LEU 570 15.118 0.450 0.246 190 HD21 LEU 570 HD21 LEU 570 15.546 3.810 1.890 191 HD22 LEU 570 HD22 LEU 570 16.053 2.886 0.482 192 HD23 LEU 570 HD23 LEU 570 16.541 2.367 2.096 193 HA PRO 571 HA PRO 571 10.407 6.269 -1.415 194 HB2 PRO 571 HB2 PRO 571 11.721 6.675 -3.788 195 HB3 PRO 571 HB1 PRO 571 11.750 7.806 -2.433 196 HG2 PRO 571 HG2 PRO 571 13.790 5.776 -3.249 197 HG3 PRO 571 HG1 PRO 571 14.034 7.404 -2.598 198 HD2 PRO 571 HD2 PRO 571 14.326 5.190 -1.091 199 HD3 PRO 571 HD1 PRO 571 13.711 6.713 -0.417 200 H MET 572 HN MET 572 8.881 5.199 -2.330 201 HA MET 572 HA MET 572 9.468 2.639 -3.521 202 HB2 MET 572 HB2 MET 572 6.810 3.885 -2.817 203 HB3 MET 572 HB1 MET 572 7.040 2.250 -3.425 204 HG2 MET 572 HG2 MET 572 8.431 1.745 -1.450 205 HG3 MET 572 HG1 MET 572 8.086 3.354 -0.830 206 HE1 MET 572 HE1 MET 572 5.573 0.833 -2.674 207 HE2 MET 572 HE2 MET 572 5.007 -0.045 -1.246 208 HE3 MET 572 HE3 MET 572 6.698 -0.148 -1.730 209 H SER 573 HN SER 573 9.208 2.144 -5.591 210 HA SER 573 HA SER 573 9.150 4.366 -7.384 211 HB2 SER 573 HB2 SER 573 9.356 1.413 -7.980 212 HB3 SER 573 HB1 SER 573 9.915 2.760 -8.972 213 HG SER 573 HG SER 573 11.305 3.293 -7.120 214 H TYR 574 HN TYR 574 7.717 4.215 -9.380 215 HA TYR 574 HA TYR 574 5.040 3.876 -8.700 216 HB2 TYR 574 HB2 TYR 574 6.361 4.141 -11.395 217 HB3 TYR 574 HB1 TYR 574 4.624 3.905 -11.241 218 HD1 TYR 574 HD1 TYR 574 3.417 5.554 -9.617 219 HD2 TYR 574 HD2 TYR 574 7.196 6.318 -11.410 220 HE1 TYR 574 HE1 TYR 574 3.091 7.957 -9.254 221 HE2 TYR 574 HE2 TYR 574 6.878 8.732 -11.049 222 HH TYR 574 HH TYR 574 5.061 10.299 -10.709 223 H ASP 575 HN ASP 575 7.311 1.671 -10.053 224 HA ASP 575 HA ASP 575 5.636 -0.439 -10.836 225 HB2 ASP 575 HB2 ASP 575 8.406 -0.438 -9.657 226 HB3 ASP 575 HB1 ASP 575 7.574 -1.927 -10.064 227 H GLU 576 HN GLU 576 7.156 0.232 -7.737 228 HA GLU 576 HA GLU 576 6.222 -1.944 -6.324 229 HB2 GLU 576 HB2 GLU 576 6.934 0.799 -5.332 230 HB3 GLU 576 HB1 GLU 576 6.959 -0.691 -4.394 231 HG2 GLU 576 HG2 GLU 576 8.613 -0.198 -6.839 232 HG3 GLU 576 HG1 GLU 576 9.195 0.061 -5.214 233 H LYS 577 HN LYS 577 5.071 1.391 -6.430 234 HA LYS 577 HA LYS 577 2.799 1.155 -4.819 235 HB2 LYS 577 HB2 LYS 577 3.353 2.979 -7.140 236 HB3 LYS 577 HB1 LYS 577 2.064 3.215 -5.966 237 HG2 LYS 577 HG2 LYS 577 3.666 3.532 -4.191 238 HG3 LYS 577 HG1 LYS 577 4.998 3.168 -5.292 239 HD2 LYS 577 HD2 LYS 577 4.479 5.132 -6.611 240 HD3 LYS 577 HD1 LYS 577 3.081 5.478 -5.594 241 HE2 LYS 577 HE2 LYS 577 4.528 5.824 -3.683 242 HE3 LYS 577 HE1 LYS 577 5.943 5.401 -4.647 243 HZ1 LYS 577 HZ1 LYS 577 4.153 7.700 -5.226 244 HZ2 LYS 577 HZ2 LYS 577 5.611 7.334 -5.992 245 HZ3 LYS 577 HZ3 LYS 577 5.610 7.813 -4.380 246 H ARG 578 HN ARG 578 3.153 0.870 -8.339 247 HA ARG 578 HA ARG 578 0.517 0.359 -9.065 248 HB2 ARG 578 HB2 ARG 578 2.144 0.789 -10.764 249 HB3 ARG 578 HB1 ARG 578 3.138 -0.557 -10.243 250 HG2 ARG 578 HG2 ARG 578 2.048 -1.108 -12.312 251 HG3 ARG 578 HG1 ARG 578 1.398 -2.103 -11.016 252 HD2 ARG 578 HD2 ARG 578 -0.537 -0.587 -10.866 253 HD3 ARG 578 HD1 ARG 578 0.109 0.335 -12.230 254 HE ARG 578 HE ARG 578 0.046 -2.264 -13.044 255 HH11 ARG 578 HH11 ARG 578 -2.375 0.140 -12.041 256 HH12 ARG 578 HH12 ARG 578 -3.639 -0.585 -12.912 257 HH21 ARG 578 HH21 ARG 578 -1.715 -3.233 -14.227 258 HH22 ARG 578 HH22 ARG 578 -3.265 -2.547 -14.168 259 H GLN 579 HN GLN 579 3.093 -1.978 -8.206 260 HA GLN 579 HA GLN 579 1.524 -4.240 -8.491 261 HB2 GLN 579 HB2 GLN 579 3.952 -4.219 -8.546 262 HB3 GLN 579 HB1 GLN 579 4.012 -3.654 -6.891 263 HG2 GLN 579 HG2 GLN 579 4.559 -5.991 -7.103 264 HG3 GLN 579 HG1 GLN 579 3.120 -5.703 -6.110 265 HE21 GLN 579 HE21 GLN 579 1.249 -6.534 -6.729 266 HE22 GLN 579 HE22 GLN 579 0.942 -7.523 -8.110 267 H LEU 580 HN LEU 580 2.270 -2.162 -5.750 268 HA LEU 580 HA LEU 580 1.063 -3.576 -3.689 269 HB2 LEU 580 HB2 LEU 580 2.443 -1.291 -3.906 270 HB3 LEU 580 HB1 LEU 580 0.844 -0.609 -3.798 271 HG LEU 580 HG LEU 580 2.167 -2.344 -1.710 272 HD11 LEU 580 HD11 LEU 580 3.167 -0.145 -2.012 273 HD12 LEU 580 HD12 LEU 580 2.404 -0.328 -0.429 274 HD13 LEU 580 HD13 LEU 580 1.614 0.616 -1.691 275 HD21 LEU 580 HD21 LEU 580 -0.455 -0.830 -1.589 276 HD22 LEU 580 HD22 LEU 580 0.298 -1.701 -0.256 277 HD23 LEU 580 HD23 LEU 580 -0.279 -2.582 -1.669 278 H SER 581 HN SER 581 -0.320 -1.329 -6.097 279 HA SER 581 HA SER 581 -2.932 -1.168 -5.028 280 HB2 SER 581 HB2 SER 581 -2.079 -0.967 -7.934 281 HB3 SER 581 HB1 SER 581 -3.560 -0.323 -7.233 282 HG SER 581 HG SER 581 -0.959 0.483 -6.407 283 H LEU 582 HN LEU 582 -1.319 -3.367 -7.215 284 HA LEU 582 HA LEU 582 -3.626 -4.858 -8.019 285 HB2 LEU 582 HB2 LEU 582 -0.739 -5.724 -8.073 286 HB3 LEU 582 HB1 LEU 582 -2.058 -6.393 -9.014 287 HG LEU 582 HG LEU 582 -0.844 -3.659 -9.314 288 HD11 LEU 582 HD11 LEU 582 -0.122 -4.486 -11.495 289 HD12 LEU 582 HD12 LEU 582 -0.774 -6.079 -11.108 290 HD13 LEU 582 HD13 LEU 582 0.575 -5.425 -10.175 291 HD21 LEU 582 HD21 LEU 582 -3.088 -4.960 -10.846 292 HD22 LEU 582 HD22 LEU 582 -2.280 -3.448 -11.284 293 HD23 LEU 582 HD23 LEU 582 -3.204 -3.549 -9.785 294 H ASP 583 HN ASP 583 -1.052 -5.340 -5.666 295 HA ASP 583 HA ASP 583 -1.975 -7.832 -4.754 296 HB2 ASP 583 HB2 ASP 583 -0.240 -5.791 -3.371 297 HB3 ASP 583 HB1 ASP 583 -0.580 -7.389 -2.714 298 H ILE 584 HN ILE 584 -2.849 -4.608 -3.711 299 HA ILE 584 HA ILE 584 -4.557 -5.544 -1.648 300 HB ILE 584 HB ILE 584 -4.678 -2.929 -3.209 301 HG12 ILE 584 HG12 ILE 584 -3.634 -3.624 -0.469 302 HG13 ILE 584 HG11 ILE 584 -2.660 -3.168 -1.868 303 HG21 ILE 584 HG21 ILE 584 -6.212 -3.678 -0.751 304 HG22 ILE 584 HG22 ILE 584 -6.874 -3.411 -2.366 305 HG23 ILE 584 HG23 ILE 584 -6.134 -2.075 -1.481 306 HD11 ILE 584 HD11 ILE 584 -4.627 -1.467 -0.399 307 HD12 ILE 584 HD12 ILE 584 -3.679 -0.940 -1.795 308 HD13 ILE 584 HD13 ILE 584 -2.870 -1.345 -0.270 309 H ASN 585 HN ASN 585 -4.986 -5.122 -5.081 310 HA ASN 585 HA ASN 585 -7.800 -5.719 -5.007 311 HB2 ASN 585 HB2 ASN 585 -5.872 -5.538 -7.327 312 HB3 ASN 585 HB1 ASN 585 -7.567 -5.961 -7.526 313 HD21 ASN 585 HD21 ASN 585 -6.185 -3.684 -8.611 314 HD22 ASN 585 HD22 ASN 585 -6.950 -2.280 -7.969 315 H ARG 586 HN ARG 586 -4.995 -7.525 -4.913 316 HA ARG 586 HA ARG 586 -6.172 -10.011 -5.757 317 HB2 ARG 586 HB2 ARG 586 -3.611 -9.435 -4.256 318 HB3 ARG 586 HB1 ARG 586 -4.098 -11.046 -4.740 319 HG2 ARG 586 HG2 ARG 586 -3.946 -10.432 -7.074 320 HG3 ARG 586 HG1 ARG 586 -3.614 -8.755 -6.636 321 HD2 ARG 586 HD2 ARG 586 -1.538 -9.826 -7.234 322 HD3 ARG 586 HD1 ARG 586 -1.537 -9.514 -5.506 323 HE ARG 586 HE ARG 586 -2.426 -12.142 -6.212 324 HH11 ARG 586 HH11 ARG 586 0.383 -10.136 -5.264 325 HH12 ARG 586 HH12 ARG 586 1.398 -11.465 -5.008 326 HH21 ARG 586 HH21 ARG 586 -0.968 -13.948 -5.801 327 HH22 ARG 586 HH22 ARG 586 0.654 -13.630 -5.329 328 H LEU 587 HN LEU 587 -6.199 -8.113 -2.959 329 HA LEU 587 HA LEU 587 -6.949 -10.297 -1.194 330 HB2 LEU 587 HB2 LEU 587 -6.894 -7.332 -0.660 331 HB3 LEU 587 HB1 LEU 587 -7.073 -8.604 0.527 332 HG LEU 587 HG LEU 587 -4.614 -7.887 -1.043 333 HD11 LEU 587 HD11 LEU 587 -5.257 -7.816 1.887 334 HD12 LEU 587 HD12 LEU 587 -5.068 -6.428 0.813 335 HD13 LEU 587 HD13 LEU 587 -3.686 -7.466 1.174 336 HD21 LEU 587 HD21 LEU 587 -3.488 -9.656 0.240 337 HD22 LEU 587 HD22 LEU 587 -4.688 -10.287 -0.884 338 HD23 LEU 587 HD23 LEU 587 -5.057 -10.201 0.843 339 HA PRO 588 HA PRO 588 -11.301 -9.328 -1.775 340 HB2 PRO 588 HB2 PRO 588 -12.299 -10.639 0.371 341 HB3 PRO 588 HB1 PRO 588 -11.701 -11.512 -1.043 342 HG2 PRO 588 HG2 PRO 588 -10.376 -11.004 1.582 343 HG3 PRO 588 HG1 PRO 588 -10.389 -12.482 0.605 344 HD2 PRO 588 HD2 PRO 588 -8.300 -10.707 0.642 345 HD3 PRO 588 HD1 PRO 588 -8.682 -11.755 -0.740 346 H GLY 589 HN GLY 589 -13.032 -8.191 -0.526 347 HA2 GLY 589 HA2 GLY 589 -12.101 -5.815 0.649 348 HA3 GLY 589 HA1 GLY 589 -13.766 -6.366 0.651 349 H GLU 590 HN GLU 590 -12.940 -8.822 2.030 350 HA GLU 590 HA GLU 590 -13.382 -8.221 4.718 351 HB2 GLU 590 HB2 GLU 590 -13.722 -10.419 3.653 352 HB3 GLU 590 HB1 GLU 590 -11.985 -10.604 3.506 353 HG2 GLU 590 HG2 GLU 590 -11.819 -10.508 5.972 354 HG3 GLU 590 HG1 GLU 590 -13.581 -10.479 6.044 355 H LYS 591 HN LYS 591 -10.389 -8.605 2.879 356 HA LYS 591 HA LYS 591 -8.852 -8.356 5.336 357 HB2 LYS 591 HB2 LYS 591 -7.820 -8.909 2.545 358 HB3 LYS 591 HB1 LYS 591 -6.867 -8.947 4.019 359 HG2 LYS 591 HG2 LYS 591 -9.068 -10.853 3.207 360 HG3 LYS 591 HG1 LYS 591 -7.351 -11.205 3.363 361 HD2 LYS 591 HD2 LYS 591 -9.228 -10.483 5.635 362 HD3 LYS 591 HD1 LYS 591 -8.686 -12.105 5.239 363 HE2 LYS 591 HE2 LYS 591 -6.900 -9.824 6.096 364 HE3 LYS 591 HE1 LYS 591 -7.480 -11.107 7.147 365 HZ1 LYS 591 HZ1 LYS 591 -5.707 -11.477 4.783 366 HZ2 LYS 591 HZ2 LYS 591 -6.238 -12.705 5.818 367 HZ3 LYS 591 HZ3 LYS 591 -5.235 -11.505 6.397 368 H LEU 592 HN LEU 592 -10.015 -6.397 2.819 369 HA LEU 592 HA LEU 592 -8.054 -4.435 2.775 370 HB2 LEU 592 HB2 LEU 592 -10.816 -4.762 1.988 371 HB3 LEU 592 HB1 LEU 592 -10.417 -3.120 2.432 372 HG LEU 592 HG LEU 592 -10.234 -3.553 0.012 373 HD11 LEU 592 HD11 LEU 592 -8.148 -2.456 -0.330 374 HD12 LEU 592 HD12 LEU 592 -7.678 -2.818 1.330 375 HD13 LEU 592 HD13 LEU 592 -9.046 -1.751 1.012 376 HD21 LEU 592 HD21 LEU 592 -9.461 -5.832 0.073 377 HD22 LEU 592 HD22 LEU 592 -7.899 -5.288 0.735 378 HD23 LEU 592 HD23 LEU 592 -8.433 -4.761 -0.877 379 H GLY 593 HN GLY 593 -10.516 -5.212 5.076 380 HA2 GLY 593 HA2 GLY 593 -11.074 -2.825 6.331 381 HA3 GLY 593 HA1 GLY 593 -11.036 -4.378 7.145 382 H ARG 594 HN ARG 594 -8.288 -4.915 6.895 383 HA ARG 594 HA ARG 594 -7.386 -3.354 9.055 384 HB2 ARG 594 HB2 ARG 594 -6.690 -5.636 9.004 385 HB3 ARG 594 HB1 ARG 594 -5.940 -5.454 7.430 386 HG2 ARG 594 HG2 ARG 594 -4.307 -5.533 9.249 387 HG3 ARG 594 HG1 ARG 594 -4.252 -4.006 8.361 388 HD2 ARG 594 HD2 ARG 594 -5.646 -2.975 10.035 389 HD3 ARG 594 HD1 ARG 594 -5.701 -4.487 10.928 390 HE ARG 594 HE ARG 594 -3.051 -3.885 10.665 391 HH11 ARG 594 HH11 ARG 594 -5.868 -2.296 12.093 392 HH12 ARG 594 HH12 ARG 594 -4.977 -1.231 13.080 393 HH21 ARG 594 HH21 ARG 594 -1.792 -2.430 12.045 394 HH22 ARG 594 HH22 ARG 594 -2.587 -1.356 13.082 395 H VAL 595 HN VAL 595 -6.525 -3.434 5.632 396 HA VAL 595 HA VAL 595 -4.388 -1.641 5.985 397 HB VAL 595 HB VAL 595 -4.490 -3.146 4.009 398 HG11 VAL 595 HG11 VAL 595 -5.771 -2.595 2.068 399 HG12 VAL 595 HG12 VAL 595 -6.569 -1.294 2.958 400 HG13 VAL 595 HG13 VAL 595 -6.799 -2.972 3.454 401 HG21 VAL 595 HG21 VAL 595 -2.977 -1.300 3.942 402 HG22 VAL 595 HG22 VAL 595 -4.247 -0.249 3.305 403 HG23 VAL 595 HG23 VAL 595 -3.646 -1.599 2.336 404 H VAL 596 HN VAL 596 -7.769 -1.142 5.451 405 HA VAL 596 HA VAL 596 -7.771 1.592 4.834 406 HB VAL 596 HB VAL 596 -9.796 0.366 6.742 407 HG11 VAL 596 HG11 VAL 596 -11.354 1.912 5.731 408 HG12 VAL 596 HG12 VAL 596 -10.103 2.464 4.637 409 HG13 VAL 596 HG13 VAL 596 -9.950 2.785 6.380 410 HG21 VAL 596 HG21 VAL 596 -11.167 -0.318 4.865 411 HG22 VAL 596 HG22 VAL 596 -9.614 -1.150 4.812 412 HG23 VAL 596 HG23 VAL 596 -9.931 0.204 3.729 413 H HIS 597 HN HIS 597 -7.452 -0.097 7.961 414 HA HIS 597 HA HIS 597 -7.588 2.306 9.505 415 HB2 HIS 597 HB2 HIS 597 -6.683 -0.476 10.280 416 HB3 HIS 597 HB1 HIS 597 -6.908 0.856 11.406 417 HD1 HIS 597 HD1 HIS 597 -8.563 -2.060 10.928 418 HD2 HIS 597 HD2 HIS 597 -9.846 1.869 10.484 419 HE1 HIS 597 HE1 HIS 597 -11.047 -2.114 11.173 420 H ILE 598 HN ILE 598 -5.078 0.452 8.002 421 HA ILE 598 HA ILE 598 -2.862 1.501 9.424 422 HB ILE 598 HB ILE 598 -2.915 0.515 6.548 423 HG12 ILE 598 HG12 ILE 598 -2.321 -1.022 9.091 424 HG13 ILE 598 HG11 ILE 598 -3.813 -1.148 8.174 425 HG21 ILE 598 HG21 ILE 598 -0.520 0.050 6.936 426 HG22 ILE 598 HG22 ILE 598 -0.655 0.771 8.542 427 HG23 ILE 598 HG23 ILE 598 -0.897 1.766 7.104 428 HD11 ILE 598 HD11 ILE 598 -1.060 -1.942 7.246 429 HD12 ILE 598 HD12 ILE 598 -2.503 -1.996 6.247 430 HD13 ILE 598 HD13 ILE 598 -2.390 -3.021 7.674 431 H ILE 599 HN ILE 599 -4.540 2.512 6.459 432 HA ILE 599 HA ILE 599 -2.901 4.701 5.918 433 HB ILE 599 HB ILE 599 -5.749 4.061 5.176 434 HG12 ILE 599 HG12 ILE 599 -3.278 4.056 3.475 435 HG13 ILE 599 HG11 ILE 599 -3.727 2.674 4.466 436 HG21 ILE 599 HG21 ILE 599 -4.002 6.303 4.103 437 HG22 ILE 599 HG22 ILE 599 -5.442 6.514 5.080 438 HG23 ILE 599 HG23 ILE 599 -5.574 5.828 3.461 439 HD11 ILE 599 HD11 ILE 599 -5.367 3.900 2.278 440 HD12 ILE 599 HD12 ILE 599 -5.810 2.581 3.379 441 HD13 ILE 599 HD13 ILE 599 -4.482 2.349 2.240 442 H GLN 600 HN GLN 600 -5.790 4.376 7.936 443 HA GLN 600 HA GLN 600 -6.245 7.074 8.449 444 HB2 GLN 600 HB2 GLN 600 -6.687 4.804 10.374 445 HB3 GLN 600 HB1 GLN 600 -7.445 6.390 10.442 446 HG2 GLN 600 HG2 GLN 600 -8.264 5.862 8.113 447 HG3 GLN 600 HG1 GLN 600 -7.869 4.188 8.476 448 HE21 GLN 600 HE21 GLN 600 -9.983 6.788 9.045 449 HE22 GLN 600 HE22 GLN 600 -11.144 5.945 10.014 450 H SER 601 HN SER 601 -3.806 5.027 9.655 451 HA SER 601 HA SER 601 -3.033 6.442 11.980 452 HB2 SER 601 HB2 SER 601 -1.424 4.842 10.053 453 HB3 SER 601 HB1 SER 601 -0.959 5.162 11.736 454 HG SER 601 HG SER 601 -3.455 3.956 11.204 455 H ARG 602 HN ARG 602 -2.263 6.783 8.569 456 HA ARG 602 HA ARG 602 -0.390 8.982 9.069 457 HB2 ARG 602 HB2 ARG 602 0.512 7.462 7.518 458 HB3 ARG 602 HB1 ARG 602 -1.020 7.250 6.703 459 HG2 ARG 602 HG2 ARG 602 0.592 8.468 5.318 460 HG3 ARG 602 HG1 ARG 602 -0.825 9.447 5.679 461 HD2 ARG 602 HD2 ARG 602 0.447 10.570 7.438 462 HD3 ARG 602 HD1 ARG 602 1.883 9.639 6.978 463 HE ARG 602 HE ARG 602 0.835 10.938 4.717 464 HH11 ARG 602 HH11 ARG 602 2.374 11.871 7.785 465 HH12 ARG 602 HH12 ARG 602 3.186 13.205 7.105 466 HH21 ARG 602 HH21 ARG 602 1.915 12.771 3.829 467 HH22 ARG 602 HH22 ARG 602 2.916 13.747 4.800 468 H GLU 603 HN GLU 603 -3.356 8.225 7.446 469 HA GLU 603 HA GLU 603 -3.601 10.993 6.591 470 HB2 GLU 603 HB2 GLU 603 -4.735 8.478 5.438 471 HB3 GLU 603 HB1 GLU 603 -5.341 10.062 4.984 472 HG2 GLU 603 HG2 GLU 603 -2.529 9.039 4.642 473 HG3 GLU 603 HG1 GLU 603 -3.720 9.283 3.359 474 HA PRO 604 HA PRO 604 -6.919 10.899 9.490 475 HB2 PRO 604 HB2 PRO 604 -6.854 13.455 10.245 476 HB3 PRO 604 HB1 PRO 604 -5.536 12.308 10.617 477 HG2 PRO 604 HG2 PRO 604 -5.616 14.338 8.419 478 HG3 PRO 604 HG1 PRO 604 -4.340 14.052 9.619 479 HD2 PRO 604 HD2 PRO 604 -4.379 12.955 7.096 480 HD3 PRO 604 HD1 PRO 604 -3.511 12.250 8.478 481 H SER 605 HN SER 605 -6.460 12.325 6.530 482 HA SER 605 HA SER 605 -8.956 13.615 6.090 483 HB2 SER 605 HB2 SER 605 -6.924 14.119 4.774 484 HB3 SER 605 HB1 SER 605 -6.888 12.468 4.173 485 HG SER 605 HG SER 605 -8.745 14.519 3.616 486 H LEU 606 HN LEU 606 -7.717 10.395 5.957 487 HA LEU 606 HA LEU 606 -9.869 9.208 4.520 488 HB2 LEU 606 HB2 LEU 606 -7.520 8.298 4.786 489 HB3 LEU 606 HB1 LEU 606 -7.889 7.928 6.442 490 HG LEU 606 HG LEU 606 -7.935 5.902 5.103 491 HD11 LEU 606 HD11 LEU 606 -9.651 6.137 6.881 492 HD12 LEU 606 HD12 LEU 606 -10.042 4.964 5.616 493 HD13 LEU 606 HD13 LEU 606 -10.810 6.557 5.625 494 HD21 LEU 606 HD21 LEU 606 -8.311 6.898 2.932 495 HD22 LEU 606 HD22 LEU 606 -9.981 7.271 3.372 496 HD23 LEU 606 HD23 LEU 606 -9.461 5.593 3.228 497 H ARG 607 HN ARG 607 -8.911 9.431 7.891 498 HA ARG 607 HA ARG 607 -11.095 8.350 9.214 499 HB2 ARG 607 HB2 ARG 607 -9.450 10.722 10.067 500 HB3 ARG 607 HB1 ARG 607 -10.390 9.674 11.123 501 HG2 ARG 607 HG2 ARG 607 -8.996 7.836 10.685 502 HG3 ARG 607 HG1 ARG 607 -8.140 8.684 9.405 503 HD2 ARG 607 HD2 ARG 607 -6.707 8.758 11.280 504 HD3 ARG 607 HD1 ARG 607 -7.478 10.343 11.201 505 HE ARG 607 HE ARG 607 -9.047 9.398 12.922 506 HH11 ARG 607 HH11 ARG 607 -5.630 8.429 12.673 507 HH12 ARG 607 HH12 ARG 607 -5.472 8.115 14.338 508 HH21 ARG 607 HH21 ARG 607 -8.790 8.954 15.190 509 HH22 ARG 607 HH22 ARG 607 -7.294 8.444 15.810 510 H ASP 608 HN ASP 608 -10.777 11.530 7.761 511 HA ASP 608 HA ASP 608 -13.225 12.646 8.741 512 HB2 ASP 608 HB2 ASP 608 -11.517 13.281 6.362 513 HB3 ASP 608 HB1 ASP 608 -13.111 13.997 6.529 514 H SER 609 HN SER 609 -12.477 10.430 6.288 515 HA SER 609 HA SER 609 -15.107 10.621 5.043 516 HB2 SER 609 HB2 SER 609 -12.656 9.021 4.237 517 HB3 SER 609 HB1 SER 609 -14.084 9.355 3.252 518 HG SER 609 HG SER 609 -12.091 11.163 4.124 519 H ASN 610 HN ASN 610 -15.306 7.891 4.256 520 HA ASN 610 HA ASN 610 -15.568 6.643 6.894 521 HB2 ASN 610 HB2 ASN 610 -17.471 6.707 4.601 522 HB3 ASN 610 HB1 ASN 610 -17.416 5.244 5.575 523 HD21 ASN 610 HD21 ASN 610 -16.803 8.385 6.997 524 HD22 ASN 610 HD22 ASN 610 -18.278 8.483 7.877 525 HA PRO 611 HA PRO 611 -12.906 3.401 5.620 526 HB2 PRO 611 HB2 PRO 611 -13.869 1.339 7.129 527 HB3 PRO 611 HB1 PRO 611 -12.887 2.650 7.789 528 HG2 PRO 611 HG2 PRO 611 -15.861 2.320 7.821 529 HG3 PRO 611 HG1 PRO 611 -14.784 2.837 9.130 530 HD2 PRO 611 HD2 PRO 611 -16.213 4.611 7.704 531 HD3 PRO 611 HD1 PRO 611 -14.573 4.987 8.275 532 H ASP 612 HN ASP 612 -16.176 3.379 4.947 533 HA ASP 612 HA ASP 612 -16.615 0.842 3.769 534 HB2 ASP 612 HB2 ASP 612 -18.435 2.462 4.255 535 HB3 ASP 612 HB1 ASP 612 -17.826 3.509 2.989 536 H GLU 613 HN GLU 613 -15.695 3.954 2.346 537 HA GLU 613 HA GLU 613 -14.459 2.431 0.179 538 HB2 GLU 613 HB2 GLU 613 -16.298 4.022 -0.483 539 HB3 GLU 613 HB1 GLU 613 -15.293 5.328 0.149 540 HG2 GLU 613 HG2 GLU 613 -13.651 4.940 -1.510 541 HG3 GLU 613 HG1 GLU 613 -14.499 3.494 -2.069 542 H ILE 614 HN ILE 614 -12.450 2.249 0.535 543 HA ILE 614 HA ILE 614 -10.906 4.117 2.122 544 HB ILE 614 HB ILE 614 -10.595 1.747 2.524 545 HG12 ILE 614 HG12 ILE 614 -8.216 2.946 1.085 546 HG13 ILE 614 HG11 ILE 614 -8.574 3.055 2.806 547 HG21 ILE 614 HG21 ILE 614 -11.315 0.832 0.442 548 HG22 ILE 614 HG22 ILE 614 -9.678 0.236 0.787 549 HG23 ILE 614 HG23 ILE 614 -9.928 1.552 -0.373 550 HD11 ILE 614 HD11 ILE 614 -8.156 0.692 3.090 551 HD12 ILE 614 HD12 ILE 614 -6.780 1.389 2.222 552 HD13 ILE 614 HD13 ILE 614 -8.006 0.490 1.357 553 H GLU 615 HN GLU 615 -9.588 5.583 1.202 554 HA GLU 615 HA GLU 615 -9.138 5.365 -1.684 555 HB2 GLU 615 HB2 GLU 615 -10.408 7.423 -0.994 556 HB3 GLU 615 HB1 GLU 615 -9.011 7.907 -0.036 557 HG2 GLU 615 HG2 GLU 615 -7.640 7.985 -2.051 558 HG3 GLU 615 HG1 GLU 615 -9.017 7.469 -3.017 559 H ILE 616 HN ILE 616 -7.363 4.465 -2.023 560 HA ILE 616 HA ILE 616 -5.190 4.798 -0.136 561 HB ILE 616 HB ILE 616 -5.288 3.009 -2.575 562 HG12 ILE 616 HG12 ILE 616 -6.109 2.351 0.262 563 HG13 ILE 616 HG11 ILE 616 -7.239 2.663 -1.044 564 HG21 ILE 616 HG21 ILE 616 -3.713 2.896 0.018 565 HG22 ILE 616 HG22 ILE 616 -3.068 3.366 -1.555 566 HG23 ILE 616 HG23 ILE 616 -3.618 1.711 -1.287 567 HD11 ILE 616 HD11 ILE 616 -5.265 0.407 -0.919 568 HD12 ILE 616 HD12 ILE 616 -6.469 0.665 -2.194 569 HD13 ILE 616 HD13 ILE 616 -6.983 0.304 -0.548 570 H ASP 617 HN ASP 617 -4.022 6.534 -0.494 571 HA ASP 617 HA ASP 617 -3.431 7.311 -3.255 572 HB2 ASP 617 HB2 ASP 617 -4.777 8.966 -1.994 573 HB3 ASP 617 HB1 ASP 617 -3.492 9.060 -0.792 574 H PHE 618 HN PHE 618 -1.563 6.575 -3.700 575 HA PHE 618 HA PHE 618 0.352 5.865 -1.750 576 HB2 PHE 618 HB2 PHE 618 0.530 5.827 -4.759 577 HB3 PHE 618 HB1 PHE 618 1.693 5.085 -3.669 578 HD1 PHE 618 HD1 PHE 618 1.254 2.968 -2.676 579 HD2 PHE 618 HD2 PHE 618 -1.803 4.948 -4.873 580 HE1 PHE 618 HE1 PHE 618 -0.104 0.915 -2.650 581 HE2 PHE 618 HE2 PHE 618 -3.154 2.900 -4.847 582 HZ PHE 618 HZ PHE 618 -2.299 0.876 -3.733 583 H GLU 619 HN GLU 619 -0.248 8.892 -2.875 584 HA GLU 619 HA GLU 619 2.580 9.573 -3.125 585 HB2 GLU 619 HB2 GLU 619 0.150 11.142 -3.973 586 HB3 GLU 619 HB1 GLU 619 1.812 11.679 -4.158 587 HG2 GLU 619 HG2 GLU 619 0.537 9.294 -5.480 588 HG3 GLU 619 HG1 GLU 619 1.000 10.808 -6.253 589 H THR 620 HN THR 620 -0.366 10.422 -1.412 590 HA THR 620 HA THR 620 0.943 12.439 0.151 591 HB THR 620 HB THR 620 -1.270 12.393 1.450 592 HG1 THR 620 HG1 THR 620 -2.006 10.704 -0.716 593 HG21 THR 620 HG21 THR 620 -2.506 13.484 -0.368 594 HG22 THR 620 HG22 THR 620 -1.363 12.822 -1.538 595 HG23 THR 620 HG23 THR 620 -0.821 14.002 -0.346 596 H LEU 621 HN LEU 621 0.414 9.100 0.414 597 HA LEU 621 HA LEU 621 0.826 8.774 3.191 598 HB2 LEU 621 HB2 LEU 621 1.139 6.969 0.834 599 HB3 LEU 621 HB1 LEU 621 1.431 6.419 2.478 600 HG LEU 621 HG LEU 621 -1.218 7.476 1.456 601 HD11 LEU 621 HD11 LEU 621 -1.922 5.127 1.538 602 HD12 LEU 621 HD12 LEU 621 -0.269 4.660 1.954 603 HD13 LEU 621 HD13 LEU 621 -0.614 5.368 0.378 604 HD21 LEU 621 HD21 LEU 621 -0.377 6.091 3.959 605 HD22 LEU 621 HD22 LEU 621 -2.053 6.443 3.503 606 HD23 LEU 621 HD23 LEU 621 -0.926 7.770 3.840 607 H LYS 622 HN LYS 622 2.670 8.122 4.270 608 HA LYS 622 HA LYS 622 5.229 8.837 3.080 609 HB2 LYS 622 HB2 LYS 622 4.362 8.068 5.861 610 HB3 LYS 622 HB1 LYS 622 6.049 8.091 5.409 611 HG2 LYS 622 HG2 LYS 622 5.840 10.496 4.907 612 HG3 LYS 622 HG1 LYS 622 4.159 10.435 5.469 613 HD2 LYS 622 HD2 LYS 622 4.835 9.769 7.657 614 HD3 LYS 622 HD1 LYS 622 6.497 9.525 7.140 615 HE2 LYS 622 HE2 LYS 622 5.050 12.163 7.261 616 HE3 LYS 622 HE1 LYS 622 6.211 11.576 8.442 617 HZ1 LYS 622 HZ1 LYS 622 7.237 13.110 6.886 618 HZ2 LYS 622 HZ2 LYS 622 6.849 12.119 5.582 619 HZ3 LYS 622 HZ3 LYS 622 7.929 11.587 6.753 620 HA PRO 623 HA PRO 623 6.568 4.684 2.081 621 HB2 PRO 623 HB2 PRO 623 9.039 4.769 3.517 622 HB3 PRO 623 HB1 PRO 623 8.797 5.097 1.813 623 HG2 PRO 623 HG2 PRO 623 9.015 6.966 4.093 624 HG3 PRO 623 HG1 PRO 623 9.468 7.195 2.397 625 HD2 PRO 623 HD2 PRO 623 7.311 8.385 3.454 626 HD3 PRO 623 HD1 PRO 623 7.327 7.803 1.778 627 H THR 624 HN THR 624 6.558 5.789 5.419 628 HA THR 624 HA THR 624 6.956 3.332 6.710 629 HB THR 624 HB THR 624 5.517 4.585 8.518 630 HG1 THR 624 HG1 THR 624 5.774 6.916 8.057 631 HG21 THR 624 HG21 THR 624 7.459 6.002 9.125 632 HG22 THR 624 HG22 THR 624 8.188 5.644 7.558 633 HG23 THR 624 HG23 THR 624 7.914 4.354 8.736 634 H THR 625 HN THR 625 4.024 5.110 5.992 635 HA THR 625 HA THR 625 2.251 3.059 6.750 636 HB THR 625 HB THR 625 1.753 5.413 4.934 637 HG1 THR 625 HG1 THR 625 2.010 5.064 7.690 638 HG21 THR 625 HG21 THR 625 -0.070 3.796 6.736 639 HG22 THR 625 HG22 THR 625 -0.078 3.799 4.966 640 HG23 THR 625 HG23 THR 625 -0.544 5.248 5.854 641 H LEU 626 HN LEU 626 3.342 4.262 3.593 642 HA LEU 626 HA LEU 626 2.030 2.581 1.859 643 HB2 LEU 626 HB2 LEU 626 4.822 3.651 1.776 644 HB3 LEU 626 HB1 LEU 626 4.137 2.743 0.449 645 HG LEU 626 HG LEU 626 2.915 5.277 1.507 646 HD11 LEU 626 HD11 LEU 626 5.189 5.718 0.639 647 HD12 LEU 626 HD12 LEU 626 3.955 6.365 -0.439 648 HD13 LEU 626 HD13 LEU 626 4.785 4.863 -0.850 649 HD21 LEU 626 HD21 LEU 626 2.567 3.690 -1.021 650 HD22 LEU 626 HD22 LEU 626 1.851 5.263 -0.694 651 HD23 LEU 626 HD23 LEU 626 1.387 3.869 0.286 652 H ARG 627 HN ARG 627 5.142 1.940 3.462 653 HA ARG 627 HA ARG 627 5.402 -0.626 2.350 654 HB2 ARG 627 HB2 ARG 627 7.269 0.766 3.290 655 HB3 ARG 627 HB1 ARG 627 6.659 0.363 4.892 656 HG2 ARG 627 HG2 ARG 627 8.479 -1.096 4.384 657 HG3 ARG 627 HG1 ARG 627 6.989 -2.038 4.348 658 HD2 ARG 627 HD2 ARG 627 8.421 -2.625 2.456 659 HD3 ARG 627 HD1 ARG 627 6.934 -1.876 1.889 660 HE ARG 627 HE ARG 627 8.878 0.109 2.212 661 HH11 ARG 627 HH11 ARG 627 8.145 -2.610 0.030 662 HH12 ARG 627 HH12 ARG 627 9.046 -1.985 -1.252 663 HH21 ARG 627 HH21 ARG 627 10.095 0.967 0.418 664 HH22 ARG 627 HH22 ARG 627 10.181 0.056 -1.035 665 H GLU 628 HN GLU 628 3.928 0.606 5.298 666 HA GLU 628 HA GLU 628 3.623 -1.915 6.530 667 HB2 GLU 628 HB2 GLU 628 3.443 0.395 7.633 668 HB3 GLU 628 HB1 GLU 628 1.820 0.472 6.965 669 HG2 GLU 628 HG2 GLU 628 1.810 -0.221 9.294 670 HG3 GLU 628 HG1 GLU 628 1.160 -1.464 8.232 671 H LEU 629 HN LEU 629 1.702 -0.122 4.203 672 HA LEU 629 HA LEU 629 -0.589 -1.830 4.131 673 HB2 LEU 629 HB2 LEU 629 0.552 -0.540 1.646 674 HB3 LEU 629 HB1 LEU 629 -1.119 -0.881 2.027 675 HG LEU 629 HG LEU 629 0.558 1.341 3.159 676 HD11 LEU 629 HD11 LEU 629 -1.737 1.311 1.222 677 HD12 LEU 629 HD12 LEU 629 -0.056 1.724 0.876 678 HD13 LEU 629 HD13 LEU 629 -1.025 2.757 1.929 679 HD21 LEU 629 HD21 LEU 629 -1.060 0.520 4.813 680 HD22 LEU 629 HD22 LEU 629 -2.360 0.737 3.632 681 HD23 LEU 629 HD23 LEU 629 -1.463 2.132 4.228 682 H GLU 630 HN GLU 630 2.404 -1.679 2.258 683 HA GLU 630 HA GLU 630 2.026 -3.888 0.617 684 HB2 GLU 630 HB2 GLU 630 3.788 -2.121 0.347 685 HB3 GLU 630 HB1 GLU 630 4.675 -2.873 1.666 686 HG2 GLU 630 HG2 GLU 630 4.684 -4.986 0.292 687 HG3 GLU 630 HG1 GLU 630 4.072 -4.022 -1.041 688 H ARG 631 HN ARG 631 3.547 -3.595 3.760 689 HA ARG 631 HA ARG 631 4.503 -6.201 4.192 690 HB2 ARG 631 HB2 ARG 631 3.484 -4.157 6.156 691 HB3 ARG 631 HB1 ARG 631 4.077 -5.719 6.666 692 HG2 ARG 631 HG2 ARG 631 6.267 -5.203 5.776 693 HG3 ARG 631 HG1 ARG 631 5.677 -3.641 5.183 694 HD2 ARG 631 HD2 ARG 631 5.196 -2.944 7.474 695 HD3 ARG 631 HD1 ARG 631 5.679 -4.527 8.068 696 HE ARG 631 HE ARG 631 7.899 -3.840 6.931 697 HH11 ARG 631 HH11 ARG 631 5.768 -1.713 8.919 698 HH12 ARG 631 HH12 ARG 631 7.079 -0.810 9.498 699 HH21 ARG 631 HH21 ARG 631 9.648 -2.523 7.838 700 HH22 ARG 631 HH22 ARG 631 9.244 -1.216 8.880 701 H TYR 632 HN TYR 632 1.361 -4.865 4.519 702 HA TYR 632 HA TYR 632 0.386 -7.156 5.933 703 HB2 TYR 632 HB2 TYR 632 -0.609 -5.104 6.520 704 HB3 TYR 632 HB1 TYR 632 -1.029 -4.719 4.848 705 HD1 TYR 632 HD1 TYR 632 -3.025 -5.444 3.940 706 HD2 TYR 632 HD2 TYR 632 -1.724 -7.068 7.632 707 HE1 TYR 632 HE1 TYR 632 -5.134 -6.594 4.141 708 HE2 TYR 632 HE2 TYR 632 -3.864 -8.241 7.889 709 HH TYR 632 HH TYR 632 -6.164 -8.049 7.066 710 H VAL 633 HN VAL 633 -0.153 -5.741 2.739 711 HA VAL 633 HA VAL 633 -1.755 -7.800 1.803 712 HB VAL 633 HB VAL 633 -1.373 -7.025 -0.464 713 HG11 VAL 633 HG11 VAL 633 -1.365 -4.693 1.423 714 HG12 VAL 633 HG12 VAL 633 -2.783 -5.613 0.909 715 HG13 VAL 633 HG13 VAL 633 -1.880 -4.653 -0.262 716 HG21 VAL 633 HG21 VAL 633 0.314 -5.246 -0.976 717 HG22 VAL 633 HG22 VAL 633 1.025 -6.798 -0.532 718 HG23 VAL 633 HG23 VAL 633 0.974 -5.494 0.648 719 H LYS 634 HN LYS 634 1.767 -7.533 1.776 720 HA LYS 634 HA LYS 634 2.158 -9.900 0.303 721 HB2 LYS 634 HB2 LYS 634 4.521 -9.663 0.788 722 HB3 LYS 634 HB1 LYS 634 3.814 -8.053 0.653 723 HG2 LYS 634 HG2 LYS 634 3.821 -7.765 3.001 724 HG3 LYS 634 HG1 LYS 634 4.400 -9.405 3.255 725 HD2 LYS 634 HD2 LYS 634 6.264 -7.832 3.459 726 HD3 LYS 634 HD1 LYS 634 6.487 -8.819 2.015 727 HE2 LYS 634 HE2 LYS 634 5.618 -6.995 0.633 728 HE3 LYS 634 HE1 LYS 634 5.340 -6.024 2.074 729 HZ1 LYS 634 HZ1 LYS 634 7.359 -5.335 1.000 730 HZ2 LYS 634 HZ2 LYS 634 7.963 -6.913 1.007 731 HZ3 LYS 634 HZ3 LYS 634 7.778 -6.095 2.451 732 H SER 635 HN SER 635 1.762 -9.288 3.757 733 HA SER 635 HA SER 635 2.421 -11.914 4.562 734 HB2 SER 635 HB2 SER 635 0.776 -9.801 5.945 735 HB3 SER 635 HB1 SER 635 1.330 -11.296 6.697 736 HG SER 635 HG SER 635 2.692 -9.019 5.973 737 H CYS 636 HN CYS 636 -0.552 -10.375 3.562 738 HA CYS 636 HA CYS 636 -2.213 -12.571 4.296 739 HB2 CYS 636 HB2 CYS 636 -3.012 -10.219 4.067 740 HB3 CYS 636 HB1 CYS 636 -2.743 -10.331 2.336 741 HG CYS 636 HG CYS 636 -4.549 -12.792 2.581 742 H LEU 637 HN LEU 637 -0.577 -11.490 1.396 743 HA LEU 637 HA LEU 637 -1.560 -13.680 -0.201 744 HB2 LEU 637 HB2 LEU 637 0.366 -11.438 -0.702 745 HB3 LEU 637 HB1 LEU 637 -0.015 -12.655 -1.909 746 HG LEU 637 HG LEU 637 -2.051 -10.771 -0.688 747 HD11 LEU 637 HD11 LEU 637 -0.633 -10.615 -3.324 748 HD12 LEU 637 HD12 LEU 637 -0.381 -9.551 -1.939 749 HD13 LEU 637 HD13 LEU 637 -1.936 -9.566 -2.767 750 HD21 LEU 637 HD21 LEU 637 -2.966 -12.883 -1.559 751 HD22 LEU 637 HD22 LEU 637 -2.169 -12.573 -3.101 752 HD23 LEU 637 HD23 LEU 637 -3.447 -11.498 -2.538 753 H GLN 638 HN GLN 638 0.465 -13.770 2.226 754 HA GLN 638 HA GLN 638 2.883 -14.873 1.184 755 HB2 GLN 638 HB2 GLN 638 2.096 -14.036 3.656 756 HB3 GLN 638 HB1 GLN 638 1.912 -15.763 3.857 757 HG2 GLN 638 HG2 GLN 638 4.452 -14.280 3.177 758 HG3 GLN 638 HG1 GLN 638 4.060 -15.055 4.703 759 HE21 GLN 638 HE21 GLN 638 5.146 -15.486 1.470 760 HE22 GLN 638 HE22 GLN 638 5.608 -17.135 1.598 761 H LYS 639 HN LYS 639 -0.279 -16.041 1.902 762 HA LYS 639 HA LYS 639 0.350 -18.811 1.750 763 HB2 LYS 639 HB2 LYS 639 -2.277 -17.302 1.588 764 HB3 LYS 639 HB1 LYS 639 -2.191 -19.040 1.375 765 HG2 LYS 639 HG2 LYS 639 -2.887 -18.543 3.628 766 HG3 LYS 639 HG1 LYS 639 -1.280 -19.251 3.665 767 HD2 LYS 639 HD2 LYS 639 -0.319 -16.992 3.957 768 HD3 LYS 639 HD1 LYS 639 -1.949 -16.312 3.942 769 HE2 LYS 639 HE2 LYS 639 -2.517 -17.633 5.926 770 HE3 LYS 639 HE1 LYS 639 -0.898 -18.324 5.934 771 HZ1 LYS 639 HZ1 LYS 639 -1.504 -15.427 6.287 772 HZ2 LYS 639 HZ2 LYS 639 0.016 -16.131 6.410 773 HZ3 LYS 639 HZ3 LYS 639 -1.169 -16.493 7.520 774 H LYS 640 HN LYS 640 1.250 -19.470 -0.021 775 HA LYS 640 HA LYS 640 0.428 -18.331 -2.593 776 HB2 LYS 640 HB2 LYS 640 2.999 -19.705 -1.802 777 HB3 LYS 640 HB1 LYS 640 2.622 -19.129 -3.410 778 HG2 LYS 640 HG2 LYS 640 2.899 -17.393 -0.958 779 HG3 LYS 640 HG1 LYS 640 4.139 -17.630 -2.184 780 HD2 LYS 640 HD2 LYS 640 1.405 -16.466 -2.711 781 HD3 LYS 640 HD1 LYS 640 2.849 -15.506 -2.429 782 HE2 LYS 640 HE2 LYS 640 2.484 -17.477 -4.697 783 HE3 LYS 640 HE1 LYS 640 2.259 -15.742 -4.827 784 HZ1 LYS 640 HZ1 LYS 640 4.601 -15.448 -4.216 785 HZ2 LYS 640 HZ2 LYS 640 4.436 -16.338 -5.611 786 HZ3 LYS 640 HZ3 LYS 640 4.828 -17.115 -4.181 787 H GLN 641 HN GLN 641 0.592 -19.846 -4.428 788 HA GLN 641 HA GLN 641 -0.898 -22.224 -3.975 789 HB2 GLN 641 HB2 GLN 641 -1.093 -21.011 -6.078 790 HB3 GLN 641 HB1 GLN 641 0.623 -21.201 -6.389 791 HG2 GLN 641 HG2 GLN 641 -0.682 -22.696 -7.782 792 HG3 GLN 641 HG1 GLN 641 0.315 -23.605 -6.653 793 HE21 GLN 641 HE21 GLN 641 -0.681 -24.746 -4.997 794 HE22 GLN 641 HE22 GLN 641 -2.358 -25.099 -4.993 795 H ARG 642 HN ARG 642 2.439 -21.493 -4.666 796 HA ARG 642 HA ARG 642 3.240 -24.270 -4.291 797 HB2 ARG 642 HB2 ARG 642 4.175 -23.176 -6.222 798 HB3 ARG 642 HB1 ARG 642 4.658 -21.792 -5.260 799 HG2 ARG 642 HG2 ARG 642 6.265 -23.214 -4.065 800 HG3 ARG 642 HG1 ARG 642 5.811 -24.559 -5.112 801 HD2 ARG 642 HD2 ARG 642 6.560 -23.398 -7.051 802 HD3 ARG 642 HD1 ARG 642 6.816 -21.921 -6.125 803 HE ARG 642 HE ARG 642 8.413 -23.679 -4.883 804 HH11 ARG 642 HH11 ARG 642 8.054 -22.761 -8.244 805 HH12 ARG 642 HH12 ARG 642 9.656 -23.079 -8.683 806 HH21 ARG 642 HH21 ARG 642 10.578 -24.092 -5.378 807 HH22 ARG 642 HH22 ARG 642 11.191 -23.866 -6.951 808 H LYS 643 HN LYS 643 4.066 -24.872 -2.397 809 HA LYS 643 HA LYS 643 4.326 -22.907 -0.326 810 HB2 LYS 643 HB2 LYS 643 4.784 -25.910 -0.117 811 HB3 LYS 643 HB1 LYS 643 4.713 -24.776 1.212 812 HG2 LYS 643 HG2 LYS 643 2.397 -24.291 0.735 813 HG3 LYS 643 HG1 LYS 643 2.438 -25.354 -0.670 814 HD2 LYS 643 HD2 LYS 643 2.937 -26.236 2.180 815 HD3 LYS 643 HD1 LYS 643 1.402 -26.404 1.335 816 HE2 LYS 643 HE2 LYS 643 4.016 -27.681 0.476 817 HE3 LYS 643 HE1 LYS 643 2.728 -28.491 1.353 818 HZ1 LYS 643 HZ1 LYS 643 2.654 -28.945 -1.018 819 HZ2 LYS 643 HZ2 LYS 643 2.430 -27.312 -1.368 820 HZ3 LYS 643 HZ3 LYS 643 1.259 -28.159 -0.512 821 HA PRO 644 HA PRO 644 8.919 -23.778 -0.399 822 HB2 PRO 644 HB2 PRO 644 9.937 -26.014 -1.587 823 HB3 PRO 644 HB1 PRO 644 9.242 -26.004 0.035 824 HG2 PRO 644 HG2 PRO 644 8.211 -27.321 -2.312 825 HG3 PRO 644 HG1 PRO 644 7.535 -27.313 -0.674 826 HD2 PRO 644 HD2 PRO 644 6.838 -25.631 -3.018 827 HD3 PRO 644 HD1 PRO 644 5.826 -26.123 -1.651 Start of MODEL 7 1 H1 LYS 290 HT1 LYS 290 -7.292 10.336 -14.003 2 H2 LYS 290 HT2 LYS 290 -7.829 10.162 -12.418 3 H3 LYS 290 HT3 LYS 290 -6.221 9.950 -12.773 4 HA LYS 290 HA LYS 290 -5.862 12.155 -13.259 5 HB2 LYS 290 HB2 LYS 290 -8.840 12.387 -13.129 6 HB3 LYS 290 HB1 LYS 290 -7.866 13.779 -12.688 7 HG2 LYS 290 HG2 LYS 290 -8.546 13.923 -15.009 8 HG3 LYS 290 HG1 LYS 290 -6.802 13.730 -14.885 9 HD2 LYS 290 HD2 LYS 290 -7.045 11.347 -15.438 10 HD3 LYS 290 HD1 LYS 290 -8.792 11.573 -15.581 11 HE2 LYS 290 HE2 LYS 290 -7.752 11.586 -17.775 12 HE3 LYS 290 HE1 LYS 290 -8.427 13.168 -17.398 13 HZ1 LYS 290 HZ1 LYS 290 -6.253 13.365 -18.413 14 HZ2 LYS 290 HZ2 LYS 290 -5.550 12.406 -17.244 15 HZ3 LYS 290 HZ3 LYS 290 -6.158 13.923 -16.829 16 H VAL 291 HN VAL 291 -8.020 11.022 -10.633 17 HA VAL 291 HA VAL 291 -6.327 12.550 -8.881 18 HB VAL 291 HB VAL 291 -7.744 11.609 -6.984 19 HG11 VAL 291 HG11 VAL 291 -9.680 13.018 -7.453 20 HG12 VAL 291 HG12 VAL 291 -9.224 13.083 -9.153 21 HG13 VAL 291 HG13 VAL 291 -8.178 13.806 -7.932 22 HG21 VAL 291 HG21 VAL 291 -8.569 9.574 -8.136 23 HG22 VAL 291 HG22 VAL 291 -9.503 10.594 -9.233 24 HG23 VAL 291 HG23 VAL 291 -9.892 10.563 -7.517 25 H ALA 292 HN ALA 292 -4.433 11.731 -9.219 26 HA ALA 292 HA ALA 292 -2.626 10.459 -8.985 27 HB1 ALA 292 HB1 ALA 292 -2.582 8.472 -7.553 28 HB2 ALA 292 HB2 ALA 292 -4.345 8.456 -7.502 29 HB3 ALA 292 HB3 ALA 292 -3.458 9.773 -6.740 30 HA PRO 293 HA PRO 293 -3.220 7.993 -12.612 31 HB2 PRO 293 HB2 PRO 293 -0.687 7.215 -13.023 32 HB3 PRO 293 HB1 PRO 293 -1.169 8.905 -13.221 33 HG2 PRO 293 HG2 PRO 293 0.207 7.583 -10.912 34 HG3 PRO 293 HG1 PRO 293 0.573 9.135 -11.682 35 HD2 PRO 293 HD2 PRO 293 -0.859 8.915 -9.373 36 HD3 PRO 293 HD1 PRO 293 -1.074 10.240 -10.533 37 H LEU 294 HN LEU 294 -3.916 6.684 -10.169 38 HA LEU 294 HA LEU 294 -3.281 3.952 -10.765 39 HB2 LEU 294 HB2 LEU 294 -1.335 4.770 -9.463 40 HB3 LEU 294 HB1 LEU 294 -2.419 5.216 -8.166 41 HG LEU 294 HG LEU 294 -2.965 2.857 -7.807 42 HD11 LEU 294 HD11 LEU 294 -2.634 2.127 -10.144 43 HD12 LEU 294 HD12 LEU 294 -1.790 1.129 -8.981 44 HD13 LEU 294 HD13 LEU 294 -0.890 2.317 -9.933 45 HD21 LEU 294 HD21 LEU 294 -1.118 3.889 -6.588 46 HD22 LEU 294 HD22 LEU 294 -0.010 3.455 -7.888 47 HD23 LEU 294 HD23 LEU 294 -0.780 2.197 -6.929 48 H LYS 295 HN LYS 295 -4.568 2.506 -9.292 49 HA LYS 295 HA LYS 295 -7.140 3.640 -8.686 50 HB2 LYS 295 HB2 LYS 295 -6.034 0.861 -8.262 51 HB3 LYS 295 HB1 LYS 295 -7.686 1.324 -7.905 52 HG2 LYS 295 HG2 LYS 295 -8.010 1.888 -10.278 53 HG3 LYS 295 HG1 LYS 295 -6.371 1.337 -10.609 54 HD2 LYS 295 HD2 LYS 295 -8.413 -0.448 -9.304 55 HD3 LYS 295 HD1 LYS 295 -8.311 -0.293 -11.048 56 HE2 LYS 295 HE2 LYS 295 -7.110 -2.260 -10.363 57 HE3 LYS 295 HE1 LYS 295 -5.964 -1.067 -10.945 58 HZ1 LYS 295 HZ1 LYS 295 -5.224 -0.668 -8.678 59 HZ2 LYS 295 HZ2 LYS 295 -5.329 -2.340 -8.907 60 HZ3 LYS 295 HZ3 LYS 295 -6.526 -1.558 -8.064 61 H ILE 296 HN ILE 296 -7.556 4.621 -6.864 62 HA ILE 296 HA ILE 296 -5.816 4.138 -4.560 63 HB ILE 296 HB ILE 296 -6.570 6.276 -3.694 64 HG12 ILE 296 HG12 ILE 296 -8.357 6.433 -6.140 65 HG13 ILE 296 HG11 ILE 296 -8.888 6.142 -4.484 66 HG21 ILE 296 HG21 ILE 296 -5.702 7.774 -5.452 67 HG22 ILE 296 HG22 ILE 296 -5.829 6.459 -6.622 68 HG23 ILE 296 HG23 ILE 296 -4.715 6.325 -5.264 69 HD11 ILE 296 HD11 ILE 296 -7.545 8.651 -5.483 70 HD12 ILE 296 HD12 ILE 296 -8.122 8.370 -3.842 71 HD13 ILE 296 HD13 ILE 296 -9.270 8.464 -5.183 72 H LYS 297 HN LYS 297 -8.875 3.373 -5.711 73 HA LYS 297 HA LYS 297 -10.019 3.223 -3.032 74 HB2 LYS 297 HB2 LYS 297 -11.317 3.254 -5.732 75 HB3 LYS 297 HB1 LYS 297 -12.184 2.738 -4.300 76 HG2 LYS 297 HG2 LYS 297 -11.828 4.930 -3.283 77 HG3 LYS 297 HG1 LYS 297 -10.928 5.446 -4.715 78 HD2 LYS 297 HD2 LYS 297 -12.874 5.179 -6.102 79 HD3 LYS 297 HD1 LYS 297 -13.777 4.473 -4.764 80 HE2 LYS 297 HE2 LYS 297 -12.701 7.284 -4.807 81 HE3 LYS 297 HE1 LYS 297 -14.351 6.848 -5.246 82 HZ1 LYS 297 HZ1 LYS 297 -14.304 7.596 -3.009 83 HZ2 LYS 297 HZ2 LYS 297 -13.083 6.578 -2.558 84 HZ3 LYS 297 HZ3 LYS 297 -14.620 5.944 -2.955 85 H LEU 298 HN LEU 298 -11.463 1.459 -2.600 86 HA LEU 298 HA LEU 298 -10.208 -1.082 -2.953 87 HB2 LEU 298 HB2 LEU 298 -12.007 -0.021 -1.162 88 HB3 LEU 298 HB1 LEU 298 -13.013 -1.104 -2.088 89 HG LEU 298 HG LEU 298 -10.715 -1.757 -0.269 90 HD11 LEU 298 HD11 LEU 298 -12.283 -3.248 0.756 91 HD12 LEU 298 HD12 LEU 298 -13.495 -2.831 -0.453 92 HD13 LEU 298 HD13 LEU 298 -12.922 -1.602 0.670 93 HD21 LEU 298 HD21 LEU 298 -10.235 -3.041 -2.301 94 HD22 LEU 298 HD22 LEU 298 -11.902 -3.606 -2.358 95 HD23 LEU 298 HD23 LEU 298 -10.844 -4.118 -1.045 96 H GLY 299 HN GLY 299 -10.225 -1.610 -5.133 97 HA2 GLY 299 HA2 GLY 299 -11.137 -2.924 -6.803 98 HA3 GLY 299 HA1 GLY 299 -12.740 -2.658 -6.113 99 H GLY 300 HN GLY 300 -13.754 -2.012 -7.957 100 HA2 GLY 300 HA2 GLY 300 -12.941 0.619 -8.935 101 HA3 GLY 300 HA1 GLY 300 -13.243 -0.688 -10.077 102 H PHE 301 HN PHE 301 -14.766 0.930 -7.338 103 HA PHE 301 HA PHE 301 -17.372 0.379 -8.557 104 HB2 PHE 301 HB2 PHE 301 -17.040 -0.198 -6.136 105 HB3 PHE 301 HB1 PHE 301 -16.777 1.510 -5.808 106 HD1 PHE 301 HD1 PHE 301 -18.619 3.025 -5.619 107 HD2 PHE 301 HD2 PHE 301 -19.252 -0.981 -6.883 108 HE1 PHE 301 HE1 PHE 301 -21.049 3.321 -5.346 109 HE2 PHE 301 HE2 PHE 301 -21.677 -0.693 -6.611 110 HZ PHE 301 HZ PHE 301 -22.577 1.461 -5.843 111 H ALA 557 HN ALA 557 19.105 18.206 10.379 112 HA ALA 557 HA ALA 557 20.650 20.082 11.741 113 HB1 ALA 557 HB1 ALA 557 19.900 18.796 13.712 114 HB2 ALA 557 HB2 ALA 557 21.617 18.561 13.408 115 HB3 ALA 557 HB3 ALA 557 20.462 17.309 12.946 116 H SER 558 HN SER 558 22.959 19.513 11.398 117 HA SER 558 HA SER 558 23.255 18.286 8.840 118 HB2 SER 558 HB2 SER 558 25.306 19.453 10.724 119 HB3 SER 558 HB1 SER 558 25.538 19.110 9.005 120 HG SER 558 HG SER 558 24.334 20.766 8.473 121 H ALA 559 HN ALA 559 24.509 16.431 8.381 122 HA ALA 559 HA ALA 559 25.308 14.780 10.622 123 HB1 ALA 559 HB1 ALA 559 23.375 13.877 8.489 124 HB2 ALA 559 HB2 ALA 559 22.976 14.185 10.180 125 HB3 ALA 559 HB3 ALA 559 24.067 12.865 9.758 126 H SER 560 HN SER 560 27.070 13.629 10.196 127 HA SER 560 HA SER 560 28.065 13.605 7.435 128 HB2 SER 560 HB2 SER 560 29.576 13.347 10.042 129 HB3 SER 560 HB1 SER 560 30.280 13.386 8.423 130 HG SER 560 HG SER 560 28.589 15.454 8.975 131 H TYR 561 HN TYR 561 27.675 11.796 6.499 132 HA TYR 561 HA TYR 561 27.706 9.693 5.947 133 HB2 TYR 561 HB2 TYR 561 29.210 9.172 8.483 134 HB3 TYR 561 HB1 TYR 561 29.059 8.038 7.144 135 HD1 TYR 561 HD1 TYR 561 29.708 9.144 4.796 136 HD2 TYR 561 HD2 TYR 561 31.215 10.366 8.568 137 HE1 TYR 561 HE1 TYR 561 31.653 10.140 3.680 138 HE2 TYR 561 HE2 TYR 561 33.170 11.378 7.467 139 HH TYR 561 HH TYR 561 34.415 11.127 5.334 140 H ASP 562 HN ASP 562 25.687 9.576 5.992 141 HA ASP 562 HA ASP 562 24.295 8.572 8.320 142 HB2 ASP 562 HB2 ASP 562 22.247 8.790 6.906 143 HB3 ASP 562 HB1 ASP 562 23.132 10.300 7.071 144 H SER 563 HN SER 563 24.086 6.540 8.633 145 HA SER 563 HA SER 563 23.847 4.732 6.400 146 HB2 SER 563 HB2 SER 563 25.962 4.294 8.514 147 HB3 SER 563 HB1 SER 563 25.547 3.219 7.173 148 HG SER 563 HG SER 563 26.026 5.581 6.139 149 H GLU 564 HN GLU 564 22.163 3.757 6.753 150 HA GLU 564 HA GLU 564 21.743 2.313 9.156 151 HB2 GLU 564 HB2 GLU 564 19.476 3.129 9.485 152 HB3 GLU 564 HB1 GLU 564 20.625 4.431 9.711 153 HG2 GLU 564 HG2 GLU 564 19.072 4.027 7.159 154 HG3 GLU 564 HG1 GLU 564 18.464 4.981 8.502 155 H GLU 565 HN GLU 565 19.925 0.840 8.814 156 HA GLU 565 HA GLU 565 19.543 0.260 5.988 157 HB2 GLU 565 HB2 GLU 565 19.376 -2.173 6.780 158 HB3 GLU 565 HB1 GLU 565 20.974 -1.449 6.791 159 HG2 GLU 565 HG2 GLU 565 20.648 -0.981 9.231 160 HG3 GLU 565 HG1 GLU 565 19.174 -1.946 9.153 161 H GLU 566 HN GLU 566 17.595 1.030 5.598 162 HA GLU 566 HA GLU 566 15.492 0.504 7.575 163 HB2 GLU 566 HB2 GLU 566 16.318 2.815 7.683 164 HB3 GLU 566 HB1 GLU 566 15.966 3.019 5.981 165 HG2 GLU 566 HG2 GLU 566 13.630 2.919 6.363 166 HG3 GLU 566 HG1 GLU 566 13.859 2.379 8.026 167 H GLU 567 HN GLU 567 13.548 -0.106 6.823 168 HA GLU 567 HA GLU 567 13.302 -0.949 4.034 169 HB2 GLU 567 HB2 GLU 567 11.402 -1.137 6.373 170 HB3 GLU 567 HB1 GLU 567 11.163 -1.868 4.809 171 HG2 GLU 567 HG2 GLU 567 12.956 -3.420 5.229 172 HG3 GLU 567 HG1 GLU 567 13.333 -2.603 6.758 173 H GLU 568 HN GLU 568 11.806 0.883 6.470 174 HA GLU 568 HA GLU 568 9.652 1.914 4.874 175 HB2 GLU 568 HB2 GLU 568 9.078 3.029 7.015 176 HB3 GLU 568 HB1 GLU 568 8.998 1.262 7.022 177 HG2 GLU 568 HG2 GLU 568 11.322 2.876 8.088 178 HG3 GLU 568 HG1 GLU 568 9.925 2.492 9.082 179 H GLY 569 HN GLY 569 12.225 2.870 4.146 180 HA2 GLY 569 HA2 GLY 569 11.671 5.715 4.377 181 HA3 GLY 569 HA1 GLY 569 13.231 5.177 4.985 182 H LEU 570 HN LEU 570 11.971 3.402 2.406 183 HA LEU 570 HA LEU 570 13.887 4.667 0.593 184 HB2 LEU 570 HB2 LEU 570 12.698 1.888 0.540 185 HB3 LEU 570 HB1 LEU 570 13.821 2.526 -0.641 186 HG LEU 570 HG LEU 570 14.435 2.025 2.273 187 HD11 LEU 570 HD11 LEU 570 14.160 -0.035 1.013 188 HD12 LEU 570 HD12 LEU 570 15.855 0.222 1.431 189 HD13 LEU 570 HD13 LEU 570 15.293 0.547 -0.207 190 HD21 LEU 570 HD21 LEU 570 16.226 2.927 0.012 191 HD22 LEU 570 HD22 LEU 570 16.766 2.483 1.623 192 HD23 LEU 570 HD23 LEU 570 15.739 3.901 1.402 193 HA PRO 571 HA PRO 571 10.144 6.318 -1.271 194 HB2 PRO 571 HB2 PRO 571 12.100 6.792 -3.465 195 HB3 PRO 571 HB1 PRO 571 10.919 7.900 -2.747 196 HG2 PRO 571 HG2 PRO 571 13.487 8.132 -2.122 197 HG3 PRO 571 HG1 PRO 571 12.240 8.301 -0.872 198 HD2 PRO 571 HD2 PRO 571 14.045 5.978 -1.437 199 HD3 PRO 571 HD1 PRO 571 13.503 6.641 0.118 200 H MET 572 HN MET 572 8.728 5.221 -2.281 201 HA MET 572 HA MET 572 9.461 2.917 -3.919 202 HB2 MET 572 HB2 MET 572 6.830 3.819 -2.734 203 HB3 MET 572 HB1 MET 572 7.035 2.369 -3.719 204 HG2 MET 572 HG2 MET 572 8.457 1.373 -2.088 205 HG3 MET 572 HG1 MET 572 8.540 2.865 -1.166 206 HE1 MET 572 HE1 MET 572 5.228 1.377 -2.778 207 HE2 MET 572 HE2 MET 572 4.677 0.358 -1.444 208 HE3 MET 572 HE3 MET 572 6.139 -0.074 -2.333 209 H SER 573 HN SER 573 8.999 2.764 -6.050 210 HA SER 573 HA SER 573 8.508 5.251 -7.426 211 HB2 SER 573 HB2 SER 573 8.859 2.469 -8.542 212 HB3 SER 573 HB1 SER 573 9.163 4.019 -9.340 213 HG SER 573 HG SER 573 10.742 4.402 -7.709 214 H TYR 574 HN TYR 574 6.940 5.228 -9.281 215 HA TYR 574 HA TYR 574 4.318 5.018 -8.423 216 HB2 TYR 574 HB2 TYR 574 5.359 4.867 -11.253 217 HB3 TYR 574 HB1 TYR 574 3.684 5.126 -10.812 218 HD1 TYR 574 HD1 TYR 574 7.007 6.607 -11.055 219 HD2 TYR 574 HD2 TYR 574 2.959 7.273 -9.935 220 HE1 TYR 574 HE1 TYR 574 7.396 9.030 -11.103 221 HE2 TYR 574 HE2 TYR 574 3.339 9.693 -9.974 222 HH TYR 574 HH TYR 574 5.214 11.266 -9.810 223 H ASP 575 HN ASP 575 6.295 2.792 -10.162 224 HA ASP 575 HA ASP 575 4.196 0.954 -10.766 225 HB2 ASP 575 HB2 ASP 575 6.224 1.084 -12.144 226 HB3 ASP 575 HB1 ASP 575 7.163 0.447 -10.797 227 H GLU 576 HN GLU 576 6.534 1.201 -8.134 228 HA GLU 576 HA GLU 576 6.068 -1.290 -6.976 229 HB2 GLU 576 HB2 GLU 576 6.833 1.345 -5.752 230 HB3 GLU 576 HB1 GLU 576 7.081 -0.247 -5.032 231 HG2 GLU 576 HG2 GLU 576 8.227 0.631 -7.640 232 HG3 GLU 576 HG1 GLU 576 9.097 0.754 -6.128 233 H LYS 577 HN LYS 577 4.691 1.918 -6.534 234 HA LYS 577 HA LYS 577 2.794 1.263 -4.535 235 HB2 LYS 577 HB2 LYS 577 2.773 3.435 -6.603 236 HB3 LYS 577 HB1 LYS 577 1.773 3.424 -5.150 237 HG2 LYS 577 HG2 LYS 577 3.803 3.510 -3.756 238 HG3 LYS 577 HG1 LYS 577 4.792 3.545 -5.218 239 HD2 LYS 577 HD2 LYS 577 3.735 5.651 -5.866 240 HD3 LYS 577 HD1 LYS 577 2.775 5.641 -4.392 241 HE2 LYS 577 HE2 LYS 577 4.911 5.588 -3.109 242 HE3 LYS 577 HE1 LYS 577 5.756 5.836 -4.640 243 HZ1 LYS 577 HZ1 LYS 577 4.358 7.872 -4.911 244 HZ2 LYS 577 HZ2 LYS 577 5.464 7.956 -3.643 245 HZ3 LYS 577 HZ3 LYS 577 3.834 7.646 -3.318 246 H ARG 578 HN ARG 578 2.705 1.428 -8.006 247 HA ARG 578 HA ARG 578 0.087 0.818 -8.592 248 HB2 ARG 578 HB2 ARG 578 1.696 1.424 -10.285 249 HB3 ARG 578 HB1 ARG 578 2.622 -0.025 -9.957 250 HG2 ARG 578 HG2 ARG 578 0.836 -1.395 -10.873 251 HG3 ARG 578 HG1 ARG 578 -0.125 0.058 -11.184 252 HD2 ARG 578 HD2 ARG 578 2.606 -0.508 -12.331 253 HD3 ARG 578 HD1 ARG 578 1.083 -0.690 -13.200 254 HE ARG 578 HE ARG 578 0.779 1.750 -12.675 255 HH11 ARG 578 HH11 ARG 578 4.047 0.377 -13.180 256 HH12 ARG 578 HH12 ARG 578 4.657 1.840 -13.798 257 HH21 ARG 578 HH21 ARG 578 1.671 3.704 -13.540 258 HH22 ARG 578 HH22 ARG 578 3.302 3.757 -13.991 259 H GLN 579 HN GLN 579 2.769 -1.410 -7.981 260 HA GLN 579 HA GLN 579 1.341 -3.802 -8.286 261 HB2 GLN 579 HB2 GLN 579 3.918 -3.213 -8.139 262 HB3 GLN 579 HB1 GLN 579 3.689 -3.500 -6.429 263 HG2 GLN 579 HG2 GLN 579 3.030 -5.498 -8.559 264 HG3 GLN 579 HG1 GLN 579 4.606 -5.415 -7.778 265 HE21 GLN 579 HE21 GLN 579 1.323 -6.411 -7.525 266 HE22 GLN 579 HE22 GLN 579 1.436 -7.197 -6.008 267 H LEU 580 HN LEU 580 1.981 -1.733 -5.503 268 HA LEU 580 HA LEU 580 0.762 -3.206 -3.476 269 HB2 LEU 580 HB2 LEU 580 1.484 -0.412 -3.894 270 HB3 LEU 580 HB1 LEU 580 0.057 -0.603 -2.905 271 HG LEU 580 HG LEU 580 2.075 -0.378 -1.564 272 HD11 LEU 580 HD11 LEU 580 0.164 -1.644 -0.748 273 HD12 LEU 580 HD12 LEU 580 1.688 -2.247 -0.102 274 HD13 LEU 580 HD13 LEU 580 0.863 -3.129 -1.393 275 HD21 LEU 580 HD21 LEU 580 3.668 -1.381 -3.113 276 HD22 LEU 580 HD22 LEU 580 2.911 -2.954 -2.884 277 HD23 LEU 580 HD23 LEU 580 3.745 -2.176 -1.539 278 H SER 581 HN SER 581 -0.654 -1.008 -5.825 279 HA SER 581 HA SER 581 -3.227 -0.991 -4.702 280 HB2 SER 581 HB2 SER 581 -2.456 0.769 -6.241 281 HB3 SER 581 HB1 SER 581 -2.325 -0.409 -7.538 282 HG SER 581 HG SER 581 -4.547 0.863 -6.474 283 H LEU 582 HN LEU 582 -1.563 -3.071 -6.964 284 HA LEU 582 HA LEU 582 -3.835 -4.522 -7.872 285 HB2 LEU 582 HB2 LEU 582 -0.961 -5.435 -7.707 286 HB3 LEU 582 HB1 LEU 582 -2.218 -6.144 -8.698 287 HG LEU 582 HG LEU 582 -1.040 -3.395 -9.049 288 HD11 LEU 582 HD11 LEU 582 0.497 -5.203 -9.681 289 HD12 LEU 582 HD12 LEU 582 -0.067 -4.318 -11.096 290 HD13 LEU 582 HD13 LEU 582 -0.745 -5.900 -10.720 291 HD21 LEU 582 HD21 LEU 582 -3.377 -3.460 -9.715 292 HD22 LEU 582 HD22 LEU 582 -3.082 -4.879 -10.712 293 HD23 LEU 582 HD23 LEU 582 -2.338 -3.332 -11.135 294 H ASP 583 HN ASP 583 -1.375 -5.135 -5.421 295 HA ASP 583 HA ASP 583 -2.482 -7.562 -4.502 296 HB2 ASP 583 HB2 ASP 583 -0.580 -5.631 -3.207 297 HB3 ASP 583 HB1 ASP 583 -1.126 -7.091 -2.397 298 H ILE 584 HN ILE 584 -3.050 -4.286 -3.447 299 HA ILE 584 HA ILE 584 -4.679 -5.010 -1.274 300 HB ILE 584 HB ILE 584 -4.326 -2.475 -2.848 301 HG12 ILE 584 HG12 ILE 584 -3.642 -3.341 -0.054 302 HG13 ILE 584 HG11 ILE 584 -2.542 -3.028 -1.384 303 HG21 ILE 584 HG21 ILE 584 -6.688 -2.469 -2.189 304 HG22 ILE 584 HG22 ILE 584 -5.765 -1.239 -1.331 305 HG23 ILE 584 HG23 ILE 584 -6.212 -2.731 -0.508 306 HD11 ILE 584 HD11 ILE 584 -2.500 -1.233 0.255 307 HD12 ILE 584 HD12 ILE 584 -4.239 -1.003 0.018 308 HD13 ILE 584 HD13 ILE 584 -3.123 -0.660 -1.303 309 H ASN 585 HN ASN 585 -5.370 -4.477 -4.672 310 HA ASN 585 HA ASN 585 -8.180 -4.825 -4.143 311 HB2 ASN 585 HB2 ASN 585 -6.703 -4.459 -6.741 312 HB3 ASN 585 HB1 ASN 585 -8.447 -4.711 -6.668 313 HD21 ASN 585 HD21 ASN 585 -8.398 -3.002 -4.068 314 HD22 ASN 585 HD22 ASN 585 -8.277 -1.380 -4.668 315 H ARG 586 HN ARG 586 -5.577 -6.845 -4.688 316 HA ARG 586 HA ARG 586 -7.014 -9.105 -5.680 317 HB2 ARG 586 HB2 ARG 586 -4.375 -8.850 -4.237 318 HB3 ARG 586 HB1 ARG 586 -5.023 -10.418 -4.663 319 HG2 ARG 586 HG2 ARG 586 -4.912 -9.862 -7.014 320 HG3 ARG 586 HG1 ARG 586 -4.424 -8.210 -6.630 321 HD2 ARG 586 HD2 ARG 586 -2.505 -9.552 -7.314 322 HD3 ARG 586 HD1 ARG 586 -2.339 -9.065 -5.641 323 HE ARG 586 HE ARG 586 -3.506 -11.666 -5.995 324 HH11 ARG 586 HH11 ARG 586 -0.477 -9.835 -5.466 325 HH12 ARG 586 HH12 ARG 586 0.428 -11.209 -5.074 326 HH21 ARG 586 HH21 ARG 586 -2.217 -13.556 -5.418 327 HH22 ARG 586 HH22 ARG 586 -0.560 -13.345 -5.061 328 H LEU 587 HN LEU 587 -6.444 -7.724 -2.560 329 HA LEU 587 HA LEU 587 -7.346 -9.967 -1.047 330 HB2 LEU 587 HB2 LEU 587 -7.233 -7.060 -0.239 331 HB3 LEU 587 HB1 LEU 587 -7.383 -8.424 0.840 332 HG LEU 587 HG LEU 587 -4.971 -7.664 -0.792 333 HD11 LEU 587 HD11 LEU 587 -5.484 -7.670 2.171 334 HD12 LEU 587 HD12 LEU 587 -5.290 -6.255 1.131 335 HD13 LEU 587 HD13 LEU 587 -3.934 -7.348 1.400 336 HD21 LEU 587 HD21 LEU 587 -5.118 -10.065 -0.701 337 HD22 LEU 587 HD22 LEU 587 -5.385 -10.012 1.047 338 HD23 LEU 587 HD23 LEU 587 -3.840 -9.485 0.368 339 HA PRO 588 HA PRO 588 -11.728 -9.043 -1.484 340 HB2 PRO 588 HB2 PRO 588 -12.662 -10.653 0.502 341 HB3 PRO 588 HB1 PRO 588 -12.120 -11.301 -1.049 342 HG2 PRO 588 HG2 PRO 588 -10.688 -11.175 1.561 343 HG3 PRO 588 HG1 PRO 588 -10.734 -12.497 0.376 344 HD2 PRO 588 HD2 PRO 588 -8.659 -10.731 0.619 345 HD3 PRO 588 HD1 PRO 588 -9.073 -11.543 -0.906 346 H GLY 589 HN GLY 589 -13.144 -7.702 -0.461 347 HA2 GLY 589 HA2 GLY 589 -12.345 -5.503 0.906 348 HA3 GLY 589 HA1 GLY 589 -13.962 -6.107 0.985 349 H GLU 590 HN GLU 590 -13.626 -8.366 2.521 350 HA GLU 590 HA GLU 590 -13.724 -7.310 5.098 351 HB2 GLU 590 HB2 GLU 590 -13.760 -9.630 5.887 352 HB3 GLU 590 HB1 GLU 590 -14.869 -9.361 4.546 353 HG2 GLU 590 HG2 GLU 590 -13.284 -10.455 3.031 354 HG3 GLU 590 HG1 GLU 590 -12.164 -10.670 4.377 355 H LYS 591 HN LYS 591 -11.067 -8.678 3.336 356 HA LYS 591 HA LYS 591 -9.367 -8.847 5.674 357 HB2 LYS 591 HB2 LYS 591 -8.708 -9.369 2.770 358 HB3 LYS 591 HB1 LYS 591 -7.639 -9.672 4.127 359 HG2 LYS 591 HG2 LYS 591 -10.254 -11.062 3.557 360 HG3 LYS 591 HG1 LYS 591 -8.636 -11.742 3.370 361 HD2 LYS 591 HD2 LYS 591 -8.313 -11.417 5.830 362 HD3 LYS 591 HD1 LYS 591 -9.992 -10.903 5.930 363 HE2 LYS 591 HE2 LYS 591 -9.839 -13.231 6.552 364 HE3 LYS 591 HE1 LYS 591 -10.700 -13.091 5.023 365 HZ1 LYS 591 HZ1 LYS 591 -7.833 -13.818 5.313 366 HZ2 LYS 591 HZ2 LYS 591 -8.686 -13.781 3.854 367 HZ3 LYS 591 HZ3 LYS 591 -9.082 -14.903 5.038 368 H LEU 592 HN LEU 592 -10.236 -6.410 3.455 369 HA LEU 592 HA LEU 592 -7.754 -5.042 3.584 370 HB2 LEU 592 HB2 LEU 592 -10.504 -4.232 2.776 371 HB3 LEU 592 HB1 LEU 592 -9.224 -3.059 2.906 372 HG LEU 592 HG LEU 592 -9.558 -3.664 0.642 373 HD11 LEU 592 HD11 LEU 592 -7.315 -4.366 -0.001 374 HD12 LEU 592 HD12 LEU 592 -6.996 -4.824 1.671 375 HD13 LEU 592 HD13 LEU 592 -7.305 -3.136 1.264 376 HD21 LEU 592 HD21 LEU 592 -10.464 -5.880 0.881 377 HD22 LEU 592 HD22 LEU 592 -8.890 -6.472 1.398 378 HD23 LEU 592 HD23 LEU 592 -9.112 -5.866 -0.245 379 H GLY 593 HN GLY 593 -10.187 -5.556 5.797 380 HA2 GLY 593 HA2 GLY 593 -10.822 -3.129 6.949 381 HA3 GLY 593 HA1 GLY 593 -10.761 -4.639 7.836 382 H ARG 594 HN ARG 594 -7.972 -5.060 7.627 383 HA ARG 594 HA ARG 594 -7.150 -3.238 9.673 384 HB2 ARG 594 HB2 ARG 594 -6.596 -5.521 10.016 385 HB3 ARG 594 HB1 ARG 594 -5.788 -5.642 8.473 386 HG2 ARG 594 HG2 ARG 594 -4.206 -5.539 10.337 387 HG3 ARG 594 HG1 ARG 594 -4.011 -4.180 9.222 388 HD2 ARG 594 HD2 ARG 594 -5.295 -2.778 10.681 389 HD3 ARG 594 HD1 ARG 594 -5.567 -4.137 11.767 390 HE ARG 594 HE ARG 594 -2.795 -3.659 11.363 391 HH11 ARG 594 HH11 ARG 594 -5.588 -2.394 13.095 392 HH12 ARG 594 HH12 ARG 594 -4.696 -1.620 14.313 393 HH21 ARG 594 HH21 ARG 594 -1.501 -2.538 13.018 394 HH22 ARG 594 HH22 ARG 594 -2.305 -1.707 14.265 395 H VAL 595 HN VAL 595 -6.251 -3.846 6.315 396 HA VAL 595 HA VAL 595 -4.039 -2.097 6.495 397 HB VAL 595 HB VAL 595 -4.123 -3.851 4.732 398 HG11 VAL 595 HG11 VAL 595 -6.095 -2.071 3.376 399 HG12 VAL 595 HG12 VAL 595 -6.415 -3.648 4.093 400 HG13 VAL 595 HG13 VAL 595 -5.346 -3.517 2.689 401 HG21 VAL 595 HG21 VAL 595 -2.534 -2.046 4.488 402 HG22 VAL 595 HG22 VAL 595 -3.745 -1.062 3.671 403 HG23 VAL 595 HG23 VAL 595 -3.149 -2.537 2.910 404 H VAL 596 HN VAL 596 -7.399 -1.603 5.735 405 HA VAL 596 HA VAL 596 -7.287 1.034 4.790 406 HB VAL 596 HB VAL 596 -9.422 0.009 6.723 407 HG11 VAL 596 HG11 VAL 596 -9.504 2.432 6.248 408 HG12 VAL 596 HG12 VAL 596 -10.905 1.558 5.609 409 HG13 VAL 596 HG13 VAL 596 -9.618 2.046 4.520 410 HG21 VAL 596 HG21 VAL 596 -9.412 -0.256 3.723 411 HG22 VAL 596 HG22 VAL 596 -10.731 -0.708 4.805 412 HG23 VAL 596 HG23 VAL 596 -9.197 -1.576 4.872 413 H HIS 597 HN HIS 597 -7.241 -0.283 8.119 414 HA HIS 597 HA HIS 597 -7.334 2.113 9.537 415 HB2 HIS 597 HB2 HIS 597 -7.792 -0.167 10.431 416 HB3 HIS 597 HB1 HIS 597 -6.090 -0.554 10.255 417 HD1 HIS 597 HD1 HIS 597 -8.458 0.522 12.663 418 HD2 HIS 597 HD2 HIS 597 -4.441 1.260 11.986 419 HE1 HIS 597 HE1 HIS 597 -7.511 1.384 14.868 420 H ILE 598 HN ILE 598 -4.767 0.271 8.026 421 HA ILE 598 HA ILE 598 -2.628 1.486 9.341 422 HB ILE 598 HB ILE 598 -2.615 0.185 6.601 423 HG12 ILE 598 HG12 ILE 598 -1.954 -1.003 9.311 424 HG13 ILE 598 HG11 ILE 598 -3.447 -1.284 8.429 425 HG21 ILE 598 HG21 ILE 598 -0.198 -0.145 7.031 426 HG22 ILE 598 HG22 ILE 598 -0.354 0.750 8.541 427 HG23 ILE 598 HG23 ILE 598 -0.618 1.569 7.002 428 HD11 ILE 598 HD11 ILE 598 -2.066 -2.295 6.594 429 HD12 ILE 598 HD12 ILE 598 -2.056 -3.168 8.110 430 HD13 ILE 598 HD13 ILE 598 -0.667 -2.163 7.666 431 H ILE 599 HN ILE 599 -4.272 2.315 6.268 432 HA ILE 599 HA ILE 599 -2.540 4.533 5.792 433 HB ILE 599 HB ILE 599 -5.393 4.176 4.763 434 HG12 ILE 599 HG12 ILE 599 -4.039 4.000 2.524 435 HG13 ILE 599 HG11 ILE 599 -2.739 3.477 3.585 436 HG21 ILE 599 HG21 ILE 599 -4.867 6.502 4.791 437 HG22 ILE 599 HG22 ILE 599 -4.862 5.933 3.116 438 HG23 ILE 599 HG23 ILE 599 -3.339 6.213 3.968 439 HD11 ILE 599 HD11 ILE 599 -5.445 2.230 3.331 440 HD12 ILE 599 HD12 ILE 599 -4.139 1.645 4.369 441 HD13 ILE 599 HD13 ILE 599 -3.960 1.631 2.606 442 H GLN 600 HN GLN 600 -5.665 4.173 7.380 443 HA GLN 600 HA GLN 600 -6.237 6.817 8.010 444 HB2 GLN 600 HB2 GLN 600 -6.863 4.385 9.635 445 HB3 GLN 600 HB1 GLN 600 -7.669 5.950 9.743 446 HG2 GLN 600 HG2 GLN 600 -8.214 5.724 7.364 447 HG3 GLN 600 HG1 GLN 600 -7.631 4.068 7.432 448 HE21 GLN 600 HE21 GLN 600 -10.096 6.218 8.270 449 HE22 GLN 600 HE22 GLN 600 -11.201 5.063 8.914 450 H SER 601 HN SER 601 -4.013 4.679 9.457 451 HA SER 601 HA SER 601 -3.589 5.791 11.977 452 HB2 SER 601 HB2 SER 601 -1.560 4.565 10.110 453 HB3 SER 601 HB1 SER 601 -1.351 4.786 11.847 454 HG SER 601 HG SER 601 -3.590 3.355 10.885 455 H ARG 602 HN ARG 602 -2.298 6.742 8.831 456 HA ARG 602 HA ARG 602 -0.960 9.034 10.085 457 HB2 ARG 602 HB2 ARG 602 0.427 7.717 8.581 458 HB3 ARG 602 HB1 ARG 602 -0.752 7.927 7.290 459 HG2 ARG 602 HG2 ARG 602 -0.366 10.372 7.419 460 HG3 ARG 602 HG1 ARG 602 0.943 10.077 8.556 461 HD2 ARG 602 HD2 ARG 602 2.020 8.641 6.859 462 HD3 ARG 602 HD1 ARG 602 0.715 9.047 5.748 463 HE ARG 602 HE ARG 602 2.720 10.916 6.789 464 HH11 ARG 602 HH11 ARG 602 0.000 10.534 4.634 465 HH12 ARG 602 HH12 ARG 602 0.674 11.401 3.347 466 HH21 ARG 602 HH21 ARG 602 3.682 12.188 5.018 467 HH22 ARG 602 HH22 ARG 602 2.826 12.328 3.541 468 H GLU 603 HN GLU 603 -3.432 8.080 7.832 469 HA GLU 603 HA GLU 603 -3.835 10.803 6.902 470 HB2 GLU 603 HB2 GLU 603 -4.860 8.175 5.914 471 HB3 GLU 603 HB1 GLU 603 -5.257 9.700 5.163 472 HG2 GLU 603 HG2 GLU 603 -2.539 8.392 5.361 473 HG3 GLU 603 HG1 GLU 603 -3.512 8.606 3.908 474 HA PRO 604 HA PRO 604 -7.465 10.498 9.475 475 HB2 PRO 604 HB2 PRO 604 -7.580 13.012 10.290 476 HB3 PRO 604 HB1 PRO 604 -6.241 11.930 10.779 477 HG2 PRO 604 HG2 PRO 604 -6.218 14.016 8.629 478 HG3 PRO 604 HG1 PRO 604 -5.046 13.761 9.935 479 HD2 PRO 604 HD2 PRO 604 -4.815 12.739 7.376 480 HD3 PRO 604 HD1 PRO 604 -4.008 12.066 8.807 481 H SER 605 HN SER 605 -6.710 11.840 6.575 482 HA SER 605 HA SER 605 -9.063 13.234 5.853 483 HB2 SER 605 HB2 SER 605 -7.043 11.893 4.068 484 HB3 SER 605 HB1 SER 605 -7.991 13.348 3.734 485 HG SER 605 HG SER 605 -5.758 13.739 4.383 486 H LEU 606 HN LEU 606 -7.815 9.955 5.625 487 HA LEU 606 HA LEU 606 -9.925 8.930 4.026 488 HB2 LEU 606 HB2 LEU 606 -7.665 7.952 4.276 489 HB3 LEU 606 HB1 LEU 606 -8.053 7.450 5.893 490 HG LEU 606 HG LEU 606 -9.371 6.465 3.317 491 HD11 LEU 606 HD11 LEU 606 -7.456 5.131 5.161 492 HD12 LEU 606 HD12 LEU 606 -7.143 5.767 3.538 493 HD13 LEU 606 HD13 LEU 606 -8.237 4.386 3.751 494 HD21 LEU 606 HD21 LEU 606 -10.980 6.276 5.098 495 HD22 LEU 606 HD22 LEU 606 -9.791 5.582 6.164 496 HD23 LEU 606 HD23 LEU 606 -10.354 4.654 4.758 497 H ARG 607 HN ARG 607 -9.203 8.972 7.445 498 HA ARG 607 HA ARG 607 -11.512 7.818 8.515 499 HB2 ARG 607 HB2 ARG 607 -9.803 10.061 9.563 500 HB3 ARG 607 HB1 ARG 607 -11.057 9.294 10.519 501 HG2 ARG 607 HG2 ARG 607 -9.929 7.190 10.410 502 HG3 ARG 607 HG1 ARG 607 -8.734 7.843 9.291 503 HD2 ARG 607 HD2 ARG 607 -7.847 7.714 11.579 504 HD3 ARG 607 HD1 ARG 607 -7.977 9.374 10.986 505 HE ARG 607 HE ARG 607 -9.788 9.750 12.392 506 HH11 ARG 607 HH11 ARG 607 -8.421 6.515 12.969 507 HH12 ARG 607 HH12 ARG 607 -8.867 6.440 14.594 508 HH21 ARG 607 HH21 ARG 607 -10.440 9.639 14.638 509 HH22 ARG 607 HH22 ARG 607 -10.080 8.270 15.576 510 H ASP 608 HN ASP 608 -10.923 11.030 7.397 511 HA ASP 608 HA ASP 608 -13.433 12.195 8.113 512 HB2 ASP 608 HB2 ASP 608 -11.490 13.602 7.675 513 HB3 ASP 608 HB1 ASP 608 -11.403 13.001 6.024 514 H SER 609 HN SER 609 -12.202 10.575 5.279 515 HA SER 609 HA SER 609 -14.598 10.835 3.747 516 HB2 SER 609 HB2 SER 609 -12.247 10.604 2.791 517 HB3 SER 609 HB1 SER 609 -12.243 8.941 3.360 518 HG SER 609 HG SER 609 -12.793 9.249 1.132 519 H ASN 610 HN ASN 610 -15.126 8.267 2.863 520 HA ASN 610 HA ASN 610 -16.239 7.164 5.329 521 HB2 ASN 610 HB2 ASN 610 -17.865 7.841 3.607 522 HB3 ASN 610 HB1 ASN 610 -17.169 6.665 2.488 523 HD21 ASN 610 HD21 ASN 610 -19.083 7.145 5.357 524 HD22 ASN 610 HD22 ASN 610 -19.712 5.552 5.437 525 HA PRO 611 HA PRO 611 -13.423 3.801 5.223 526 HB2 PRO 611 HB2 PRO 611 -14.648 2.147 6.960 527 HB3 PRO 611 HB1 PRO 611 -13.877 3.657 7.467 528 HG2 PRO 611 HG2 PRO 611 -16.772 3.109 6.922 529 HG3 PRO 611 HG1 PRO 611 -16.035 3.972 8.287 530 HD2 PRO 611 HD2 PRO 611 -17.112 5.294 6.161 531 HD3 PRO 611 HD1 PRO 611 -15.698 5.898 7.053 532 H ASP 612 HN ASP 612 -16.491 3.473 3.844 533 HA ASP 612 HA ASP 612 -16.742 0.685 3.452 534 HB2 ASP 612 HB2 ASP 612 -18.546 2.231 2.933 535 HB3 ASP 612 HB1 ASP 612 -17.589 2.938 1.644 536 H GLU 613 HN GLU 613 -15.329 3.145 1.411 537 HA GLU 613 HA GLU 613 -13.915 1.053 -0.076 538 HB2 GLU 613 HB2 GLU 613 -14.209 3.992 -0.707 539 HB3 GLU 613 HB1 GLU 613 -13.424 2.792 -1.719 540 HG2 GLU 613 HG2 GLU 613 -15.547 1.695 -2.072 541 HG3 GLU 613 HG1 GLU 613 -16.347 2.869 -1.023 542 H ILE 614 HN ILE 614 -11.747 0.940 0.175 543 HA ILE 614 HA ILE 614 -10.475 2.651 2.063 544 HB ILE 614 HB ILE 614 -9.856 0.184 1.676 545 HG12 ILE 614 HG12 ILE 614 -7.544 2.106 1.337 546 HG13 ILE 614 HG11 ILE 614 -8.332 1.737 2.868 547 HG21 ILE 614 HG21 ILE 614 -8.546 1.242 -0.823 548 HG22 ILE 614 HG22 ILE 614 -9.918 0.148 -0.759 549 HG23 ILE 614 HG23 ILE 614 -8.339 -0.383 -0.165 550 HD11 ILE 614 HD11 ILE 614 -6.884 -0.261 1.131 551 HD12 ILE 614 HD12 ILE 614 -7.628 -0.584 2.693 552 HD13 ILE 614 HD13 ILE 614 -6.239 0.488 2.589 553 H GLU 615 HN GLU 615 -9.227 4.406 1.544 554 HA GLU 615 HA GLU 615 -8.994 5.073 -1.280 555 HB2 GLU 615 HB2 GLU 615 -11.012 6.114 -0.217 556 HB3 GLU 615 HB1 GLU 615 -9.948 6.939 0.903 557 HG2 GLU 615 HG2 GLU 615 -9.126 8.351 -0.765 558 HG3 GLU 615 HG1 GLU 615 -9.724 7.312 -2.062 559 H ILE 616 HN ILE 616 -6.963 4.961 -1.544 560 HA ILE 616 HA ILE 616 -5.050 5.650 0.602 561 HB ILE 616 HB ILE 616 -4.656 3.922 -1.833 562 HG12 ILE 616 HG12 ILE 616 -5.251 2.877 0.919 563 HG13 ILE 616 HG11 ILE 616 -6.529 3.192 -0.255 564 HG21 ILE 616 HG21 ILE 616 -3.133 4.125 0.764 565 HG22 ILE 616 HG22 ILE 616 -2.608 4.708 -0.810 566 HG23 ILE 616 HG23 ILE 616 -2.810 2.978 -0.534 567 HD11 ILE 616 HD11 ILE 616 -4.213 1.318 -0.628 568 HD12 ILE 616 HD12 ILE 616 -5.486 1.664 -1.803 569 HD13 ILE 616 HD13 ILE 616 -5.888 0.871 -0.283 570 H ASP 617 HN ASP 617 -3.892 7.540 0.135 571 HA ASP 617 HA ASP 617 -3.531 8.125 -2.700 572 HB2 ASP 617 HB2 ASP 617 -4.352 10.041 -1.329 573 HB3 ASP 617 HB1 ASP 617 -2.873 9.947 -0.368 574 H PHE 618 HN PHE 618 -1.996 6.941 -3.360 575 HA PHE 618 HA PHE 618 0.128 5.959 -1.800 576 HB2 PHE 618 HB2 PHE 618 -0.240 5.974 -4.793 577 HB3 PHE 618 HB1 PHE 618 1.034 5.111 -3.948 578 HD1 PHE 618 HD1 PHE 618 0.566 3.145 -2.636 579 HD2 PHE 618 HD2 PHE 618 -2.525 5.174 -4.741 580 HE1 PHE 618 HE1 PHE 618 -0.884 1.177 -2.390 581 HE2 PHE 618 HE2 PHE 618 -3.981 3.206 -4.498 582 HZ PHE 618 HZ PHE 618 -3.161 1.205 -3.318 583 H GLU 619 HN GLU 619 -0.132 8.875 -3.625 584 HA GLU 619 HA GLU 619 2.698 9.168 -3.900 585 HB2 GLU 619 HB2 GLU 619 0.406 10.941 -4.621 586 HB3 GLU 619 HB1 GLU 619 2.055 11.541 -4.664 587 HG2 GLU 619 HG2 GLU 619 0.993 9.175 -6.194 588 HG3 GLU 619 HG1 GLU 619 1.365 10.769 -6.858 589 H THR 620 HN THR 620 0.283 10.785 -1.840 590 HA THR 620 HA THR 620 2.457 12.270 -0.703 591 HB THR 620 HB THR 620 0.708 13.240 0.840 592 HG1 THR 620 HG1 THR 620 -1.001 11.730 -0.871 593 HG21 THR 620 HG21 THR 620 0.257 13.490 -2.136 594 HG22 THR 620 HG22 THR 620 1.428 14.404 -1.182 595 HG23 THR 620 HG23 THR 620 -0.300 14.639 -0.920 596 H LEU 621 HN LEU 621 1.046 9.301 -0.042 597 HA LEU 621 HA LEU 621 1.419 9.039 2.736 598 HB2 LEU 621 HB2 LEU 621 1.298 7.170 0.456 599 HB3 LEU 621 HB1 LEU 621 1.866 6.557 2.004 600 HG LEU 621 HG LEU 621 -0.825 7.873 1.546 601 HD11 LEU 621 HD11 LEU 621 -0.631 5.714 0.389 602 HD12 LEU 621 HD12 LEU 621 -1.711 5.611 1.782 603 HD13 LEU 621 HD13 LEU 621 -0.069 4.974 1.888 604 HD21 LEU 621 HD21 LEU 621 -1.317 6.971 3.745 605 HD22 LEU 621 HD22 LEU 621 0.047 8.097 3.812 606 HD23 LEU 621 HD23 LEU 621 0.331 6.340 3.833 607 H LYS 622 HN LYS 622 3.000 8.356 4.006 608 HA LYS 622 HA LYS 622 5.714 8.844 3.237 609 HB2 LYS 622 HB2 LYS 622 4.527 7.513 5.667 610 HB3 LYS 622 HB1 LYS 622 6.240 7.724 5.433 611 HG2 LYS 622 HG2 LYS 622 5.869 10.181 5.480 612 HG3 LYS 622 HG1 LYS 622 4.169 9.860 5.866 613 HD2 LYS 622 HD2 LYS 622 4.841 8.545 7.822 614 HD3 LYS 622 HD1 LYS 622 6.531 8.826 7.442 615 HE2 LYS 622 HE2 LYS 622 4.509 10.915 8.220 616 HE3 LYS 622 HE1 LYS 622 5.739 10.232 9.263 617 HZ1 LYS 622 HZ1 LYS 622 7.440 11.164 7.751 618 HZ2 LYS 622 HZ2 LYS 622 6.480 12.301 8.490 619 HZ3 LYS 622 HZ3 LYS 622 6.210 11.943 6.871 620 HA PRO 623 HA PRO 623 6.981 4.710 1.831 621 HB2 PRO 623 HB2 PRO 623 9.353 4.676 3.388 622 HB3 PRO 623 HB1 PRO 623 9.225 5.182 1.715 623 HG2 PRO 623 HG2 PRO 623 9.281 6.817 4.196 624 HG3 PRO 623 HG1 PRO 623 9.899 7.205 2.582 625 HD2 PRO 623 HD2 PRO 623 7.671 8.320 3.526 626 HD3 PRO 623 HD1 PRO 623 7.819 7.875 1.812 627 H THR 624 HN THR 624 7.029 5.746 5.192 628 HA THR 624 HA THR 624 7.384 3.315 6.510 629 HB THR 624 HB THR 624 5.797 5.237 7.938 630 HG1 THR 624 HG1 THR 624 7.936 6.710 7.340 631 HG21 THR 624 HG21 THR 624 7.586 3.730 8.880 632 HG22 THR 624 HG22 THR 624 7.792 5.426 9.309 633 HG23 THR 624 HG23 THR 624 8.786 4.723 8.039 634 H THR 625 HN THR 625 4.494 5.153 5.659 635 HA THR 625 HA THR 625 2.722 3.272 6.795 636 HB THR 625 HB THR 625 2.189 5.411 4.741 637 HG1 THR 625 HG1 THR 625 2.386 5.521 7.585 638 HG21 THR 625 HG21 THR 625 0.430 4.130 6.850 639 HG22 THR 625 HG22 THR 625 0.338 3.831 5.118 640 HG23 THR 625 HG23 THR 625 -0.070 5.425 5.762 641 H LEU 626 HN LEU 626 3.750 4.092 3.474 642 HA LEU 626 HA LEU 626 2.234 2.297 2.082 643 HB2 LEU 626 HB2 LEU 626 4.998 3.325 1.508 644 HB3 LEU 626 HB1 LEU 626 4.117 2.341 0.364 645 HG LEU 626 HG LEU 626 3.103 4.975 1.418 646 HD11 LEU 626 HD11 LEU 626 4.521 4.340 -1.180 647 HD12 LEU 626 HD12 LEU 626 5.173 5.309 0.141 648 HD13 LEU 626 HD13 LEU 626 3.776 5.886 -0.773 649 HD21 LEU 626 HD21 LEU 626 2.251 3.246 -0.905 650 HD22 LEU 626 HD22 LEU 626 1.600 4.837 -0.519 651 HD23 LEU 626 HD23 LEU 626 1.353 3.498 0.594 652 H ARG 627 HN ARG 627 5.490 1.783 3.411 653 HA ARG 627 HA ARG 627 5.990 -0.849 2.719 654 HB2 ARG 627 HB2 ARG 627 7.719 0.536 3.674 655 HB3 ARG 627 HB1 ARG 627 6.812 0.761 5.147 656 HG2 ARG 627 HG2 ARG 627 7.829 -1.960 4.373 657 HG3 ARG 627 HG1 ARG 627 8.897 -0.792 5.141 658 HD2 ARG 627 HD2 ARG 627 7.236 -0.659 7.035 659 HD3 ARG 627 HD1 ARG 627 6.340 -1.963 6.265 660 HE ARG 627 HE ARG 627 8.941 -2.875 6.554 661 HH11 ARG 627 HH11 ARG 627 6.251 -1.947 8.853 662 HH12 ARG 627 HH12 ARG 627 6.977 -2.833 10.078 663 HH21 ARG 627 HH21 ARG 627 9.764 -4.056 8.360 664 HH22 ARG 627 HH22 ARG 627 8.905 -4.044 9.843 665 H GLU 628 HN GLU 628 4.116 0.395 5.447 666 HA GLU 628 HA GLU 628 3.866 -2.153 6.671 667 HB2 GLU 628 HB2 GLU 628 3.638 0.172 7.744 668 HB3 GLU 628 HB1 GLU 628 2.000 0.166 7.101 669 HG2 GLU 628 HG2 GLU 628 1.986 -0.544 9.409 670 HG3 GLU 628 HG1 GLU 628 1.544 -1.900 8.372 671 H LEU 629 HN LEU 629 1.989 -0.322 4.335 672 HA LEU 629 HA LEU 629 -0.351 -1.923 4.295 673 HB2 LEU 629 HB2 LEU 629 0.866 -0.697 1.814 674 HB3 LEU 629 HB1 LEU 629 -0.814 -1.047 2.156 675 HG LEU 629 HG LEU 629 0.818 1.169 3.377 676 HD11 LEU 629 HD11 LEU 629 -1.424 1.218 1.373 677 HD12 LEU 629 HD12 LEU 629 0.272 1.560 1.045 678 HD13 LEU 629 HD13 LEU 629 -0.656 2.633 2.093 679 HD21 LEU 629 HD21 LEU 629 -1.270 1.925 4.342 680 HD22 LEU 629 HD22 LEU 629 -0.843 0.318 4.934 681 HD23 LEU 629 HD23 LEU 629 -2.099 0.503 3.706 682 H GLU 630 HN GLU 630 2.610 -1.947 2.434 683 HA GLU 630 HA GLU 630 2.193 -4.109 0.740 684 HB2 GLU 630 HB2 GLU 630 4.004 -2.438 0.569 685 HB3 GLU 630 HB1 GLU 630 4.781 -3.181 1.956 686 HG2 GLU 630 HG2 GLU 630 4.738 -5.327 0.635 687 HG3 GLU 630 HG1 GLU 630 4.334 -4.339 -0.753 688 H ARG 631 HN ARG 631 3.745 -3.933 3.858 689 HA ARG 631 HA ARG 631 4.652 -6.564 4.162 690 HB2 ARG 631 HB2 ARG 631 5.340 -4.653 5.526 691 HB3 ARG 631 HB1 ARG 631 3.739 -4.578 6.231 692 HG2 ARG 631 HG2 ARG 631 4.113 -6.824 7.182 693 HG3 ARG 631 HG1 ARG 631 5.772 -6.762 6.570 694 HD2 ARG 631 HD2 ARG 631 6.140 -4.695 7.817 695 HD3 ARG 631 HD1 ARG 631 4.501 -4.803 8.453 696 HE ARG 631 HE ARG 631 6.278 -7.034 8.908 697 HH11 ARG 631 HH11 ARG 631 4.554 -4.217 10.212 698 HH12 ARG 631 HH12 ARG 631 4.977 -4.557 11.827 699 HH21 ARG 631 HH21 ARG 631 6.819 -7.491 11.125 700 HH22 ARG 631 HH22 ARG 631 6.316 -6.444 12.363 701 H TYR 632 HN TYR 632 1.582 -5.125 4.739 702 HA TYR 632 HA TYR 632 0.550 -7.378 6.173 703 HB2 TYR 632 HB2 TYR 632 -0.193 -5.273 6.817 704 HB3 TYR 632 HB1 TYR 632 -0.674 -4.814 5.184 705 HD1 TYR 632 HD1 TYR 632 -2.777 -5.445 4.330 706 HD2 TYR 632 HD2 TYR 632 -1.524 -6.915 8.107 707 HE1 TYR 632 HE1 TYR 632 -5.029 -6.209 4.743 708 HE2 TYR 632 HE2 TYR 632 -3.809 -7.701 8.560 709 HH TYR 632 HH TYR 632 -6.216 -7.750 6.109 710 H VAL 633 HN VAL 633 -0.088 -5.853 3.028 711 HA VAL 633 HA VAL 633 -1.890 -7.758 2.130 712 HB VAL 633 HB VAL 633 -1.558 -6.972 -0.136 713 HG11 VAL 633 HG11 VAL 633 -2.822 -5.519 1.320 714 HG12 VAL 633 HG12 VAL 633 -1.924 -4.584 0.125 715 HG13 VAL 633 HG13 VAL 633 -1.338 -4.683 1.786 716 HG21 VAL 633 HG21 VAL 633 0.943 -5.583 0.861 717 HG22 VAL 633 HG22 VAL 633 0.236 -5.319 -0.727 718 HG23 VAL 633 HG23 VAL 633 0.872 -6.905 -0.290 719 H LYS 634 HN LYS 634 1.624 -7.743 1.927 720 HA LYS 634 HA LYS 634 1.798 -10.020 0.291 721 HB2 LYS 634 HB2 LYS 634 4.182 -10.030 0.768 722 HB3 LYS 634 HB1 LYS 634 3.618 -8.362 0.702 723 HG2 LYS 634 HG2 LYS 634 3.703 -8.169 3.067 724 HG3 LYS 634 HG1 LYS 634 4.113 -9.873 3.246 725 HD2 LYS 634 HD2 LYS 634 6.133 -8.520 3.466 726 HD3 LYS 634 HD1 LYS 634 6.217 -9.454 1.972 727 HE2 LYS 634 HE2 LYS 634 5.473 -7.483 0.716 728 HE3 LYS 634 HE1 LYS 634 5.415 -6.559 2.215 729 HZ1 LYS 634 HZ1 LYS 634 7.837 -6.919 2.428 730 HZ2 LYS 634 HZ2 LYS 634 7.396 -6.072 1.074 731 HZ3 LYS 634 HZ3 LYS 634 7.843 -7.694 0.919 732 H SER 635 HN SER 635 1.527 -9.617 3.777 733 HA SER 635 HA SER 635 2.099 -12.307 4.381 734 HB2 SER 635 HB2 SER 635 0.604 -10.219 5.966 735 HB3 SER 635 HB1 SER 635 1.178 -11.768 6.595 736 HG SER 635 HG SER 635 2.577 -9.460 5.955 737 H CYS 636 HN CYS 636 -0.856 -10.597 3.565 738 HA CYS 636 HA CYS 636 -2.550 -12.807 4.229 739 HB2 CYS 636 HB2 CYS 636 -3.251 -10.395 4.316 740 HB3 CYS 636 HB1 CYS 636 -3.172 -10.355 2.565 741 HG CYS 636 HG CYS 636 -5.081 -12.735 2.738 742 H LEU 637 HN LEU 637 -0.816 -11.684 1.444 743 HA LEU 637 HA LEU 637 -2.161 -13.520 -0.328 744 HB2 LEU 637 HB2 LEU 637 -0.041 -11.451 -0.755 745 HB3 LEU 637 HB1 LEU 637 -0.587 -12.527 -2.030 746 HG LEU 637 HG LEU 637 -2.387 -10.611 -0.538 747 HD11 LEU 637 HD11 LEU 637 -0.743 -9.413 -1.827 748 HD12 LEU 637 HD12 LEU 637 -2.347 -9.281 -2.549 749 HD13 LEU 637 HD13 LEU 637 -1.146 -10.366 -3.254 750 HD21 LEU 637 HD21 LEU 637 -3.592 -12.524 -1.435 751 HD22 LEU 637 HD22 LEU 637 -2.821 -12.296 -3.004 752 HD23 LEU 637 HD23 LEU 637 -3.943 -11.084 -2.391 753 H GLN 638 HN GLN 638 -0.235 -14.265 1.927 754 HA GLN 638 HA GLN 638 1.880 -15.640 0.587 755 HB2 GLN 638 HB2 GLN 638 0.829 -15.737 3.348 756 HB3 GLN 638 HB1 GLN 638 2.106 -16.847 2.848 757 HG2 GLN 638 HG2 GLN 638 3.490 -14.891 2.247 758 HG3 GLN 638 HG1 GLN 638 2.211 -13.831 2.828 759 HE21 GLN 638 HE21 GLN 638 3.188 -16.824 4.365 760 HE22 GLN 638 HE22 GLN 638 3.817 -16.107 5.796 761 H LYS 639 HN LYS 639 -0.437 -16.278 -0.622 762 HA LYS 639 HA LYS 639 -1.647 -17.905 -1.558 763 HB2 LYS 639 HB2 LYS 639 0.678 -19.631 -0.739 764 HB3 LYS 639 HB1 LYS 639 -0.496 -20.016 -1.985 765 HG2 LYS 639 HG2 LYS 639 1.491 -17.745 -2.037 766 HG3 LYS 639 HG1 LYS 639 1.558 -19.224 -2.987 767 HD2 LYS 639 HD2 LYS 639 -0.588 -17.100 -3.192 768 HD3 LYS 639 HD1 LYS 639 0.757 -17.304 -4.304 769 HE2 LYS 639 HE2 LYS 639 -0.086 -19.574 -4.841 770 HE3 LYS 639 HE1 LYS 639 -1.472 -19.277 -3.797 771 HZ1 LYS 639 HZ1 LYS 639 -2.089 -17.403 -5.248 772 HZ2 LYS 639 HZ2 LYS 639 -1.990 -18.854 -6.119 773 HZ3 LYS 639 HZ3 LYS 639 -0.758 -17.739 -6.224 774 H LYS 640 HN LYS 640 -3.502 -18.258 -0.630 775 HA LYS 640 HA LYS 640 -3.621 -19.635 1.897 776 HB2 LYS 640 HB2 LYS 640 -6.096 -19.254 1.776 777 HB3 LYS 640 HB1 LYS 640 -5.119 -17.799 1.722 778 HG2 LYS 640 HG2 LYS 640 -5.420 -17.807 -0.775 779 HG3 LYS 640 HG1 LYS 640 -6.582 -19.115 -0.561 780 HD2 LYS 640 HD2 LYS 640 -6.832 -16.476 0.884 781 HD3 LYS 640 HD1 LYS 640 -7.511 -16.732 -0.714 782 HE2 LYS 640 HE2 LYS 640 -8.175 -18.480 1.651 783 HE3 LYS 640 HE1 LYS 640 -9.086 -17.029 1.247 784 HZ1 LYS 640 HZ1 LYS 640 -9.525 -18.000 -0.934 785 HZ2 LYS 640 HZ2 LYS 640 -10.182 -18.908 0.288 786 HZ3 LYS 640 HZ3 LYS 640 -8.796 -19.451 -0.506 787 H GLN 641 HN GLN 641 -4.035 -20.543 -1.400 788 HA GLN 641 HA GLN 641 -4.472 -22.422 -2.466 789 HB2 GLN 641 HB2 GLN 641 -3.409 -23.548 0.056 790 HB3 GLN 641 HB1 GLN 641 -4.198 -24.646 -1.076 791 HG2 GLN 641 HG2 GLN 641 -1.770 -24.548 -1.417 792 HG3 GLN 641 HG1 GLN 641 -2.674 -24.018 -2.831 793 HE21 GLN 641 HE21 GLN 641 -0.561 -23.098 -0.295 794 HE22 GLN 641 HE22 GLN 641 -0.159 -21.544 -0.906 795 H ARG 642 HN ARG 642 -6.245 -22.349 0.468 796 HA ARG 642 HA ARG 642 -8.362 -24.041 -0.248 797 HB2 ARG 642 HB2 ARG 642 -8.271 -21.552 1.428 798 HB3 ARG 642 HB1 ARG 642 -9.755 -22.447 1.164 799 HG2 ARG 642 HG2 ARG 642 -8.806 -24.389 2.246 800 HG3 ARG 642 HG1 ARG 642 -7.262 -23.545 2.426 801 HD2 ARG 642 HD2 ARG 642 -8.736 -23.552 4.471 802 HD3 ARG 642 HD1 ARG 642 -8.197 -21.962 3.930 803 HE ARG 642 HE ARG 642 -10.571 -22.092 2.721 804 HH11 ARG 642 HH11 ARG 642 -9.789 -22.955 6.059 805 HH12 ARG 642 HH12 ARG 642 -11.337 -22.569 6.640 806 HH21 ARG 642 HH21 ARG 642 -12.526 -21.509 3.451 807 HH22 ARG 642 HH22 ARG 642 -12.996 -21.674 5.090 808 H LYS 643 HN LYS 643 -9.816 -23.844 -1.787 809 HA LYS 643 HA LYS 643 -9.902 -21.595 -3.493 810 HB2 LYS 643 HB2 LYS 643 -11.900 -23.889 -3.281 811 HB3 LYS 643 HB1 LYS 643 -11.840 -22.676 -4.544 812 HG2 LYS 643 HG2 LYS 643 -9.771 -23.485 -5.359 813 HG3 LYS 643 HG1 LYS 643 -9.547 -24.523 -3.952 814 HD2 LYS 643 HD2 LYS 643 -10.277 -25.822 -5.876 815 HD3 LYS 643 HD1 LYS 643 -11.495 -25.842 -4.605 816 HE2 LYS 643 HE2 LYS 643 -12.688 -24.010 -5.822 817 HE3 LYS 643 HE1 LYS 643 -11.534 -24.204 -7.142 818 HZ1 LYS 643 HZ1 LYS 643 -13.564 -25.442 -7.558 819 HZ2 LYS 643 HZ2 LYS 643 -13.389 -26.255 -6.101 820 HZ3 LYS 643 HZ3 LYS 643 -12.284 -26.525 -7.332 821 HA PRO 644 HA PRO 644 -13.549 -20.064 -0.954 822 HB2 PRO 644 HB2 PRO 644 -14.326 -21.724 1.231 823 HB3 PRO 644 HB1 PRO 644 -15.226 -21.489 -0.270 824 HG2 PRO 644 HG2 PRO 644 -14.063 -23.884 0.533 825 HG3 PRO 644 HG1 PRO 644 -14.516 -23.477 -1.130 826 HD2 PRO 644 HD2 PRO 644 -11.854 -23.307 0.206 827 HD3 PRO 644 HD1 PRO 644 -12.244 -23.858 -1.433 Start of MODEL 8 1 H1 LYS 290 HT1 LYS 290 -1.873 6.084 -15.743 2 H2 LYS 290 HT2 LYS 290 -3.280 6.864 -15.262 3 H3 LYS 290 HT3 LYS 290 -2.918 5.309 -14.718 4 HA LYS 290 HA LYS 290 -1.218 7.624 -14.133 5 HB2 LYS 290 HB2 LYS 290 -3.505 6.453 -12.602 6 HB3 LYS 290 HB1 LYS 290 -2.097 6.979 -11.699 7 HG2 LYS 290 HG2 LYS 290 -3.796 8.710 -11.723 8 HG3 LYS 290 HG1 LYS 290 -2.367 9.243 -12.596 9 HD2 LYS 290 HD2 LYS 290 -3.498 8.751 -14.719 10 HD3 LYS 290 HD1 LYS 290 -4.920 8.207 -13.823 11 HE2 LYS 290 HE2 LYS 290 -5.210 10.407 -12.873 12 HE3 LYS 290 HE1 LYS 290 -3.749 10.986 -13.677 13 HZ1 LYS 290 HZ1 LYS 290 -4.850 10.536 -15.799 14 HZ2 LYS 290 HZ2 LYS 290 -5.708 11.654 -14.884 15 HZ3 LYS 290 HZ3 LYS 290 -6.234 10.045 -14.987 16 H VAL 291 HN VAL 291 0.743 6.790 -14.196 17 HA VAL 291 HA VAL 291 1.110 4.293 -12.726 18 HB VAL 291 HB VAL 291 3.186 3.867 -14.036 19 HG11 VAL 291 HG11 VAL 291 0.688 4.189 -15.683 20 HG12 VAL 291 HG12 VAL 291 1.129 2.787 -14.706 21 HG13 VAL 291 HG13 VAL 291 2.081 3.211 -16.132 22 HG21 VAL 291 HG21 VAL 291 3.605 5.109 -16.112 23 HG22 VAL 291 HG22 VAL 291 3.704 6.173 -14.708 24 HG23 VAL 291 HG23 VAL 291 2.270 6.195 -15.733 25 H ALA 292 HN ALA 292 2.379 7.541 -13.211 26 HA ALA 292 HA ALA 292 4.303 7.086 -11.140 27 HB1 ALA 292 HB1 ALA 292 4.924 8.507 -13.069 28 HB2 ALA 292 HB2 ALA 292 5.137 9.328 -11.528 29 HB3 ALA 292 HB3 ALA 292 3.771 9.732 -12.551 30 HA PRO 293 HA PRO 293 1.415 9.545 -8.412 31 HB2 PRO 293 HB2 PRO 293 -0.808 10.816 -9.580 32 HB3 PRO 293 HB1 PRO 293 0.712 11.604 -9.153 33 HG2 PRO 293 HG2 PRO 293 -0.305 11.227 -11.758 34 HG3 PRO 293 HG1 PRO 293 1.334 11.752 -11.333 35 HD2 PRO 293 HD2 PRO 293 0.332 9.041 -12.067 36 HD3 PRO 293 HD1 PRO 293 1.897 9.799 -12.420 37 H LEU 294 HN LEU 294 0.475 7.840 -7.409 38 HA LEU 294 HA LEU 294 -1.741 6.531 -8.824 39 HB2 LEU 294 HB2 LEU 294 0.209 5.141 -8.615 40 HB3 LEU 294 HB1 LEU 294 0.256 5.405 -6.889 41 HG LEU 294 HG LEU 294 -1.960 4.215 -6.743 42 HD11 LEU 294 HD11 LEU 294 -1.313 3.514 -9.590 43 HD12 LEU 294 HD12 LEU 294 -2.808 4.268 -8.974 44 HD13 LEU 294 HD13 LEU 294 -2.365 2.601 -8.525 45 HD21 LEU 294 HD21 LEU 294 0.431 2.766 -7.769 46 HD22 LEU 294 HD22 LEU 294 -0.962 2.024 -6.985 47 HD23 LEU 294 HD23 LEU 294 0.037 3.172 -6.096 48 H LYS 295 HN LYS 295 -3.640 6.809 -7.971 49 HA LYS 295 HA LYS 295 -3.961 6.485 -5.139 50 HB2 LYS 295 HB2 LYS 295 -5.578 8.335 -4.958 51 HB3 LYS 295 HB1 LYS 295 -3.967 8.921 -5.331 52 HG2 LYS 295 HG2 LYS 295 -4.637 9.225 -7.673 53 HG3 LYS 295 HG1 LYS 295 -6.257 8.648 -7.277 54 HD2 LYS 295 HD2 LYS 295 -4.926 11.072 -6.062 55 HD3 LYS 295 HD1 LYS 295 -6.109 11.119 -7.362 56 HE2 LYS 295 HE2 LYS 295 -6.594 10.063 -4.556 57 HE3 LYS 295 HE1 LYS 295 -7.090 11.629 -5.177 58 HZ1 LYS 295 HZ1 LYS 295 -8.060 9.048 -6.321 59 HZ2 LYS 295 HZ2 LYS 295 -8.610 10.616 -6.659 60 HZ3 LYS 295 HZ3 LYS 295 -8.867 9.953 -5.150 61 H ILE 296 HN ILE 296 -5.664 5.269 -4.688 62 HA ILE 296 HA ILE 296 -7.417 4.620 -6.939 63 HB ILE 296 HB ILE 296 -5.716 2.862 -6.784 64 HG12 ILE 296 HG12 ILE 296 -7.180 0.857 -6.433 65 HG13 ILE 296 HG11 ILE 296 -8.421 1.932 -5.798 66 HG21 ILE 296 HG21 ILE 296 -6.645 2.377 -3.972 67 HG22 ILE 296 HG22 ILE 296 -5.152 3.165 -4.437 68 HG23 ILE 296 HG23 ILE 296 -5.406 1.461 -4.843 69 HD11 ILE 296 HD11 ILE 296 -7.290 2.005 -8.583 70 HD12 ILE 296 HD12 ILE 296 -8.554 3.056 -7.941 71 HD13 ILE 296 HD13 ILE 296 -8.847 1.330 -8.109 72 H LYS 297 HN LYS 297 -9.502 4.503 -6.481 73 HA LYS 297 HA LYS 297 -10.348 4.653 -3.687 74 HB2 LYS 297 HB2 LYS 297 -11.791 5.247 -6.273 75 HB3 LYS 297 HB1 LYS 297 -12.640 5.068 -4.752 76 HG2 LYS 297 HG2 LYS 297 -11.368 6.947 -3.839 77 HG3 LYS 297 HG1 LYS 297 -10.576 7.171 -5.412 78 HD2 LYS 297 HD2 LYS 297 -12.741 7.584 -6.451 79 HD3 LYS 297 HD1 LYS 297 -13.556 7.226 -4.933 80 HE2 LYS 297 HE2 LYS 297 -11.729 9.558 -5.501 81 HE3 LYS 297 HE1 LYS 297 -13.478 9.625 -5.291 82 HZ1 LYS 297 HZ1 LYS 297 -11.382 9.103 -3.306 83 HZ2 LYS 297 HZ2 LYS 297 -12.982 8.667 -2.962 84 HZ3 LYS 297 HZ3 LYS 297 -12.575 10.289 -3.221 85 H LEU 298 HN LEU 298 -11.281 2.988 -2.776 86 HA LEU 298 HA LEU 298 -11.511 0.455 -4.115 87 HB2 LEU 298 HB2 LEU 298 -10.865 0.956 -1.715 88 HB3 LEU 298 HB1 LEU 298 -12.549 1.285 -1.406 89 HG LEU 298 HG LEU 298 -11.800 -0.887 -0.550 90 HD11 LEU 298 HD11 LEU 298 -14.132 -0.692 -1.059 91 HD12 LEU 298 HD12 LEU 298 -13.574 -2.319 -1.454 92 HD13 LEU 298 HD13 LEU 298 -13.846 -1.141 -2.740 93 HD21 LEU 298 HD21 LEU 298 -11.336 -1.609 -3.441 94 HD22 LEU 298 HD22 LEU 298 -11.289 -2.736 -2.087 95 HD23 LEU 298 HD23 LEU 298 -10.112 -1.430 -2.184 96 H GLY 299 HN GLY 299 -13.271 -0.204 -5.205 97 HA2 GLY 299 HA2 GLY 299 -15.752 1.346 -4.906 98 HA3 GLY 299 HA1 GLY 299 -15.329 0.350 -6.293 99 H GLY 300 HN GLY 300 -14.553 -1.949 -5.124 100 HA2 GLY 300 HA2 GLY 300 -15.236 -3.793 -3.896 101 HA3 GLY 300 HA1 GLY 300 -16.587 -2.854 -3.271 102 H PHE 301 HN PHE 301 -17.853 -2.032 -5.413 103 HA PHE 301 HA PHE 301 -18.878 -4.514 -6.573 104 HB2 PHE 301 HB2 PHE 301 -20.091 -1.739 -6.484 105 HB3 PHE 301 HB1 PHE 301 -20.863 -3.159 -7.178 106 HD1 PHE 301 HD1 PHE 301 -19.988 -1.410 -4.123 107 HD2 PHE 301 HD2 PHE 301 -21.653 -4.963 -5.745 108 HE1 PHE 301 HE1 PHE 301 -20.929 -1.973 -1.918 109 HE2 PHE 301 HE2 PHE 301 -22.591 -5.532 -3.552 110 HZ PHE 301 HZ PHE 301 -22.229 -4.036 -1.632 111 H ALA 557 HN ALA 557 11.481 19.188 13.348 112 HA ALA 557 HA ALA 557 11.329 21.334 11.726 113 HB1 ALA 557 HB1 ALA 557 13.604 21.918 12.449 114 HB2 ALA 557 HB2 ALA 557 13.595 21.429 10.755 115 HB3 ALA 557 HB3 ALA 557 14.171 20.313 11.990 116 H SER 558 HN SER 558 12.585 20.347 9.443 117 HA SER 558 HA SER 558 11.046 17.982 8.991 118 HB2 SER 558 HB2 SER 558 11.195 19.718 7.250 119 HB3 SER 558 HB1 SER 558 12.935 19.481 7.137 120 HG SER 558 HG SER 558 12.229 17.185 6.730 121 H ALA 559 HN ALA 559 14.053 18.527 10.271 122 HA ALA 559 HA ALA 559 15.269 16.096 9.302 123 HB1 ALA 559 HB1 ALA 559 16.697 18.029 9.856 124 HB2 ALA 559 HB2 ALA 559 17.089 16.635 10.864 125 HB3 ALA 559 HB3 ALA 559 16.131 17.961 11.525 126 H SER 560 HN SER 560 13.817 14.549 9.873 127 HA SER 560 HA SER 560 12.747 14.339 12.506 128 HB2 SER 560 HB2 SER 560 12.815 12.278 10.294 129 HB3 SER 560 HB1 SER 560 11.712 12.324 11.671 130 HG SER 560 HG SER 560 10.866 14.263 10.854 131 H TYR 561 HN TYR 561 13.600 13.420 14.168 132 HA TYR 561 HA TYR 561 16.231 12.357 13.930 133 HB2 TYR 561 HB2 TYR 561 14.454 12.660 16.304 134 HB3 TYR 561 HB1 TYR 561 16.143 12.175 16.378 135 HD1 TYR 561 HD1 TYR 561 17.657 13.850 14.861 136 HD2 TYR 561 HD2 TYR 561 14.100 14.896 16.909 137 HE1 TYR 561 HE1 TYR 561 18.419 16.190 14.963 138 HE2 TYR 561 HE2 TYR 561 14.827 17.237 17.005 139 HH TYR 561 HH TYR 561 17.447 18.373 15.179 140 H ASP 562 HN ASP 562 16.011 10.603 12.829 141 HA ASP 562 HA ASP 562 15.180 8.210 14.312 142 HB2 ASP 562 HB2 ASP 562 14.729 8.633 11.351 143 HB3 ASP 562 HB1 ASP 562 14.393 7.163 12.233 144 H SER 563 HN SER 563 16.999 7.042 14.465 145 HA SER 563 HA SER 563 19.137 7.487 12.566 146 HB2 SER 563 HB2 SER 563 19.042 5.748 15.048 147 HB3 SER 563 HB1 SER 563 20.483 6.205 14.136 148 HG SER 563 HG SER 563 19.841 8.438 14.646 149 H GLU 564 HN GLU 564 20.293 5.277 12.023 150 HA GLU 564 HA GLU 564 20.355 3.324 10.970 151 HB2 GLU 564 HB2 GLU 564 18.955 2.509 12.946 152 HB3 GLU 564 HB1 GLU 564 17.556 2.802 11.912 153 HG2 GLU 564 HG2 GLU 564 18.360 1.141 10.344 154 HG3 GLU 564 HG1 GLU 564 19.751 0.845 11.391 155 H GLU 565 HN GLU 565 19.415 2.219 9.156 156 HA GLU 565 HA GLU 565 18.082 4.162 7.431 157 HB2 GLU 565 HB2 GLU 565 19.407 1.562 6.596 158 HB3 GLU 565 HB1 GLU 565 18.780 2.799 5.524 159 HG2 GLU 565 HG2 GLU 565 21.095 3.095 5.472 160 HG3 GLU 565 HG1 GLU 565 20.519 4.342 6.576 161 H GLU 566 HN GLU 566 16.061 3.956 8.084 162 HA GLU 566 HA GLU 566 14.843 1.443 8.531 163 HB2 GLU 566 HB2 GLU 566 12.768 2.755 8.800 164 HB3 GLU 566 HB1 GLU 566 14.098 3.354 9.779 165 HG2 GLU 566 HG2 GLU 566 14.495 5.075 7.990 166 HG3 GLU 566 HG1 GLU 566 12.981 4.541 7.261 167 H GLU 567 HN GLU 567 13.291 0.410 7.349 168 HA GLU 567 HA GLU 567 13.619 0.655 4.495 169 HB2 GLU 567 HB2 GLU 567 13.628 -1.552 5.674 170 HB3 GLU 567 HB1 GLU 567 11.959 -1.273 6.143 171 HG2 GLU 567 HG2 GLU 567 11.271 -1.345 3.834 172 HG3 GLU 567 HG1 GLU 567 12.948 -1.495 3.315 173 H GLU 568 HN GLU 568 11.548 1.562 6.959 174 HA GLU 568 HA GLU 568 9.211 2.098 5.354 175 HB2 GLU 568 HB2 GLU 568 9.783 3.202 8.078 176 HB3 GLU 568 HB1 GLU 568 8.238 2.892 7.324 177 HG2 GLU 568 HG2 GLU 568 8.280 1.128 8.745 178 HG3 GLU 568 HG1 GLU 568 9.152 0.389 7.399 179 H GLY 569 HN GLY 569 11.842 3.364 4.791 180 HA2 GLY 569 HA2 GLY 569 10.929 6.149 4.689 181 HA3 GLY 569 HA1 GLY 569 12.550 5.788 5.270 182 H LEU 570 HN LEU 570 11.602 3.570 2.903 183 HA LEU 570 HA LEU 570 13.421 4.864 1.101 184 HB2 LEU 570 HB2 LEU 570 13.335 2.743 -0.228 185 HB3 LEU 570 HB1 LEU 570 13.895 2.529 1.406 186 HG LEU 570 HG LEU 570 11.567 1.646 1.956 187 HD11 LEU 570 HD11 LEU 570 11.311 1.511 -1.043 188 HD12 LEU 570 HD12 LEU 570 10.346 2.512 0.038 189 HD13 LEU 570 HD13 LEU 570 10.230 0.751 0.129 190 HD21 LEU 570 HD21 LEU 570 12.050 -0.567 1.064 191 HD22 LEU 570 HD22 LEU 570 13.503 0.203 1.703 192 HD23 LEU 570 HD23 LEU 570 13.231 0.131 -0.039 193 HA PRO 571 HA PRO 571 10.224 6.341 -1.508 194 HB2 PRO 571 HB2 PRO 571 11.813 6.103 -3.905 195 HB3 PRO 571 HB1 PRO 571 11.438 7.559 -2.980 196 HG2 PRO 571 HG2 PRO 571 13.957 6.480 -3.137 197 HG3 PRO 571 HG1 PRO 571 13.385 7.436 -1.763 198 HD2 PRO 571 HD2 PRO 571 13.578 4.466 -2.048 199 HD3 PRO 571 HD1 PRO 571 13.981 5.502 -0.659 200 H MET 572 HN MET 572 8.556 5.398 -2.386 201 HA MET 572 HA MET 572 8.740 2.659 -3.391 202 HB2 MET 572 HB2 MET 572 6.317 4.423 -2.896 203 HB3 MET 572 HB1 MET 572 6.257 2.743 -3.396 204 HG2 MET 572 HG2 MET 572 7.506 3.665 -0.816 205 HG3 MET 572 HG1 MET 572 5.822 3.180 -0.968 206 HE1 MET 572 HE1 MET 572 6.067 -0.637 -1.715 207 HE2 MET 572 HE2 MET 572 5.794 0.693 -2.841 208 HE3 MET 572 HE3 MET 572 5.008 0.694 -1.262 209 H SER 573 HN SER 573 8.783 2.240 -5.491 210 HA SER 573 HA SER 573 8.705 4.484 -7.381 211 HB2 SER 573 HB2 SER 573 9.486 1.631 -7.836 212 HB3 SER 573 HB1 SER 573 9.941 3.069 -8.767 213 HG SER 573 HG SER 573 10.759 2.242 -6.215 214 H TYR 574 HN TYR 574 7.838 4.058 -9.550 215 HA TYR 574 HA TYR 574 5.124 3.860 -9.469 216 HB2 TYR 574 HB2 TYR 574 5.135 3.693 -11.930 217 HB3 TYR 574 HB1 TYR 574 6.281 4.891 -11.364 218 HD1 TYR 574 HD1 TYR 574 8.708 4.504 -11.643 219 HD2 TYR 574 HD2 TYR 574 5.868 1.680 -13.084 220 HE1 TYR 574 HE1 TYR 574 10.450 3.455 -13.008 221 HE2 TYR 574 HE2 TYR 574 7.616 0.621 -14.451 222 HH TYR 574 HH TYR 574 10.888 1.230 -14.002 223 H ASP 575 HN ASP 575 7.382 1.263 -10.012 224 HA ASP 575 HA ASP 575 5.367 -0.664 -10.801 225 HB2 ASP 575 HB2 ASP 575 7.680 -1.103 -11.449 226 HB3 ASP 575 HB1 ASP 575 8.161 -1.151 -9.755 227 H GLU 576 HN GLU 576 7.109 -0.012 -7.864 228 HA GLU 576 HA GLU 576 6.128 -2.035 -6.260 229 HB2 GLU 576 HB2 GLU 576 6.953 0.739 -5.455 230 HB3 GLU 576 HB1 GLU 576 6.842 -0.664 -4.402 231 HG2 GLU 576 HG2 GLU 576 8.550 -1.796 -5.695 232 HG3 GLU 576 HG1 GLU 576 8.662 -0.408 -6.765 233 H LYS 577 HN LYS 577 5.002 1.249 -6.716 234 HA LYS 577 HA LYS 577 2.830 1.024 -4.914 235 HB2 LYS 577 HB2 LYS 577 3.316 2.933 -7.160 236 HB3 LYS 577 HB1 LYS 577 2.050 3.130 -5.955 237 HG2 LYS 577 HG2 LYS 577 3.800 3.221 -4.190 238 HG3 LYS 577 HG1 LYS 577 5.023 3.174 -5.461 239 HD2 LYS 577 HD2 LYS 577 2.899 5.296 -5.147 240 HD3 LYS 577 HD1 LYS 577 4.592 5.464 -4.682 241 HE2 LYS 577 HE2 LYS 577 5.266 5.158 -6.982 242 HE3 LYS 577 HE1 LYS 577 3.591 4.934 -7.479 243 HZ1 LYS 577 HZ1 LYS 577 3.141 7.238 -6.638 244 HZ2 LYS 577 HZ2 LYS 577 4.156 7.182 -7.928 245 HZ3 LYS 577 HZ3 LYS 577 4.787 7.431 -6.388 246 H ARG 578 HN ARG 578 3.065 0.878 -8.464 247 HA ARG 578 HA ARG 578 0.392 0.580 -9.112 248 HB2 ARG 578 HB2 ARG 578 2.241 0.842 -10.751 249 HB3 ARG 578 HB1 ARG 578 2.733 -0.811 -10.434 250 HG2 ARG 578 HG2 ARG 578 1.514 -0.730 -12.496 251 HG3 ARG 578 HG1 ARG 578 0.546 -1.586 -11.294 252 HD2 ARG 578 HD2 ARG 578 -0.768 0.448 -10.907 253 HD3 ARG 578 HD1 ARG 578 0.213 1.309 -12.093 254 HE ARG 578 HE ARG 578 -1.051 -1.083 -13.051 255 HH11 ARG 578 HH11 ARG 578 -1.390 2.452 -12.690 256 HH12 ARG 578 HH12 ARG 578 -2.555 2.591 -13.902 257 HH21 ARG 578 HH21 ARG 578 -2.665 -0.838 -14.762 258 HH22 ARG 578 HH22 ARG 578 -3.265 0.701 -15.141 259 H GLN 579 HN GLN 579 2.746 -1.937 -8.228 260 HA GLN 579 HA GLN 579 1.041 -4.118 -8.473 261 HB2 GLN 579 HB2 GLN 579 3.493 -4.201 -8.491 262 HB3 GLN 579 HB1 GLN 579 3.532 -3.622 -6.842 263 HG2 GLN 579 HG2 GLN 579 4.009 -5.987 -7.060 264 HG3 GLN 579 HG1 GLN 579 2.597 -5.630 -6.055 265 HE21 GLN 579 HE21 GLN 579 0.706 -6.387 -6.623 266 HE22 GLN 579 HE22 GLN 579 0.339 -7.416 -7.967 267 H LEU 580 HN LEU 580 1.660 -1.887 -5.826 268 HA LEU 580 HA LEU 580 0.418 -3.304 -3.789 269 HB2 LEU 580 HB2 LEU 580 1.261 -0.569 -4.198 270 HB3 LEU 580 HB1 LEU 580 -0.211 -0.676 -3.256 271 HG LEU 580 HG LEU 580 1.775 -0.565 -1.831 272 HD11 LEU 580 HD11 LEU 580 1.251 -2.455 -0.401 273 HD12 LEU 580 HD12 LEU 580 0.376 -3.228 -1.719 274 HD13 LEU 580 HD13 LEU 580 -0.217 -1.715 -1.039 275 HD21 LEU 580 HD21 LEU 580 3.355 -1.665 -3.332 276 HD22 LEU 580 HD22 LEU 580 2.505 -3.195 -3.109 277 HD23 LEU 580 HD23 LEU 580 3.330 -2.439 -1.751 278 H SER 581 HN SER 581 -1.098 -0.999 -6.161 279 HA SER 581 HA SER 581 -3.590 -1.132 -4.990 280 HB2 SER 581 HB2 SER 581 -2.878 -0.742 -7.901 281 HB3 SER 581 HB1 SER 581 -4.430 -0.341 -7.164 282 HG SER 581 HG SER 581 -2.550 0.767 -5.692 283 H LEU 582 HN LEU 582 -1.889 -3.338 -7.133 284 HA LEU 582 HA LEU 582 -4.189 -4.878 -7.942 285 HB2 LEU 582 HB2 LEU 582 -1.299 -5.712 -7.971 286 HB3 LEU 582 HB1 LEU 582 -2.602 -6.337 -8.957 287 HG LEU 582 HG LEU 582 -1.376 -3.589 -9.177 288 HD11 LEU 582 HD11 LEU 582 -1.166 -5.977 -10.981 289 HD12 LEU 582 HD12 LEU 582 0.106 -5.355 -9.935 290 HD13 LEU 582 HD13 LEU 582 -0.476 -4.385 -11.288 291 HD21 LEU 582 HD21 LEU 582 -3.474 -4.920 -10.885 292 HD22 LEU 582 HD22 LEU 582 -2.711 -3.363 -11.214 293 HD23 LEU 582 HD23 LEU 582 -3.740 -3.558 -9.794 294 H ASP 583 HN ASP 583 -1.617 -5.175 -5.566 295 HA ASP 583 HA ASP 583 -2.371 -7.724 -4.617 296 HB2 ASP 583 HB2 ASP 583 -0.779 -5.563 -3.257 297 HB3 ASP 583 HB1 ASP 583 -1.022 -7.172 -2.588 298 H ILE 584 HN ILE 584 -3.212 -4.486 -3.517 299 HA ILE 584 HA ILE 584 -4.709 -5.425 -1.346 300 HB ILE 584 HB ILE 584 -4.726 -2.821 -2.852 301 HG12 ILE 584 HG12 ILE 584 -3.709 -3.652 -0.143 302 HG13 ILE 584 HG11 ILE 584 -2.746 -3.308 -1.576 303 HG21 ILE 584 HG21 ILE 584 -6.979 -3.101 -1.935 304 HG22 ILE 584 HG22 ILE 584 -6.103 -1.854 -1.041 305 HG23 ILE 584 HG23 ILE 584 -6.298 -3.464 -0.350 306 HD11 ILE 584 HD11 ILE 584 -4.434 -1.383 -0.049 307 HD12 ILE 584 HD12 ILE 584 -3.463 -0.988 -1.473 308 HD13 ILE 584 HD13 ILE 584 -2.674 -1.494 0.033 309 H ASN 585 HN ASN 585 -5.549 -4.933 -4.715 310 HA ASN 585 HA ASN 585 -8.358 -5.370 -4.373 311 HB2 ASN 585 HB2 ASN 585 -7.456 -4.296 -6.414 312 HB3 ASN 585 HB1 ASN 585 -6.647 -5.796 -6.845 313 HD21 ASN 585 HD21 ASN 585 -7.723 -6.045 -8.784 314 HD22 ASN 585 HD22 ASN 585 -9.399 -6.440 -8.882 315 H ARG 586 HN ARG 586 -5.593 -7.398 -4.698 316 HA ARG 586 HA ARG 586 -6.879 -9.897 -5.188 317 HB2 ARG 586 HB2 ARG 586 -4.206 -9.212 -3.992 318 HB3 ARG 586 HB1 ARG 586 -4.737 -10.866 -4.207 319 HG2 ARG 586 HG2 ARG 586 -4.790 -10.560 -6.613 320 HG3 ARG 586 HG1 ARG 586 -4.397 -8.847 -6.423 321 HD2 ARG 586 HD2 ARG 586 -2.236 -9.382 -5.510 322 HD3 ARG 586 HD1 ARG 586 -2.627 -11.096 -5.460 323 HE ARG 586 HE ARG 586 -2.900 -10.595 -8.025 324 HH11 ARG 586 HH11 ARG 586 -0.233 -9.373 -5.904 325 HH12 ARG 586 HH12 ARG 586 0.946 -9.668 -7.045 326 HH21 ARG 586 HH21 ARG 586 -1.185 -10.899 -9.607 327 HH22 ARG 586 HH22 ARG 586 0.410 -10.496 -9.233 328 H LEU 587 HN LEU 587 -6.436 -8.009 -2.314 329 HA LEU 587 HA LEU 587 -6.740 -10.208 -0.500 330 HB2 LEU 587 HB2 LEU 587 -6.946 -7.248 -0.008 331 HB3 LEU 587 HB1 LEU 587 -6.957 -8.473 1.238 332 HG LEU 587 HG LEU 587 -4.669 -7.675 -0.542 333 HD11 LEU 587 HD11 LEU 587 -5.025 -6.200 1.303 334 HD12 LEU 587 HD12 LEU 587 -3.612 -7.217 1.660 335 HD13 LEU 587 HD13 LEU 587 -5.162 -7.562 2.410 336 HD21 LEU 587 HD21 LEU 587 -4.804 -9.959 1.432 337 HD22 LEU 587 HD22 LEU 587 -3.342 -9.370 0.644 338 HD23 LEU 587 HD23 LEU 587 -4.622 -10.100 -0.318 339 HA PRO 588 HA PRO 588 -11.168 -10.222 -0.352 340 HB2 PRO 588 HB2 PRO 588 -11.507 -11.394 2.075 341 HB3 PRO 588 HB1 PRO 588 -11.023 -12.310 0.639 342 HG2 PRO 588 HG2 PRO 588 -9.365 -11.283 2.894 343 HG3 PRO 588 HG1 PRO 588 -9.264 -12.837 2.044 344 HD2 PRO 588 HD2 PRO 588 -7.594 -10.739 1.554 345 HD3 PRO 588 HD1 PRO 588 -8.024 -11.944 0.321 346 H GLY 589 HN GLY 589 -12.865 -9.266 0.857 347 HA2 GLY 589 HA2 GLY 589 -12.379 -6.632 1.584 348 HA3 GLY 589 HA1 GLY 589 -13.877 -7.486 1.894 349 H GLU 590 HN GLU 590 -12.823 -9.417 3.705 350 HA GLU 590 HA GLU 590 -12.977 -8.013 6.115 351 HB2 GLU 590 HB2 GLU 590 -12.281 -10.135 7.189 352 HB3 GLU 590 HB1 GLU 590 -13.586 -10.319 6.023 353 HG2 GLU 590 HG2 GLU 590 -12.021 -11.189 4.379 354 HG3 GLU 590 HG1 GLU 590 -10.692 -10.933 5.509 355 H LYS 591 HN LYS 591 -10.175 -9.059 4.277 356 HA LYS 591 HA LYS 591 -8.388 -8.188 6.389 357 HB2 LYS 591 HB2 LYS 591 -7.696 -9.251 3.635 358 HB3 LYS 591 HB1 LYS 591 -6.556 -8.974 4.938 359 HG2 LYS 591 HG2 LYS 591 -8.758 -11.048 4.872 360 HG3 LYS 591 HG1 LYS 591 -7.026 -11.337 4.765 361 HD2 LYS 591 HD2 LYS 591 -8.422 -10.156 7.183 362 HD3 LYS 591 HD1 LYS 591 -8.024 -11.858 7.002 363 HE2 LYS 591 HE2 LYS 591 -6.021 -9.595 7.019 364 HE3 LYS 591 HE1 LYS 591 -6.409 -10.604 8.402 365 HZ1 LYS 591 HZ1 LYS 591 -5.594 -12.520 7.160 366 HZ2 LYS 591 HZ2 LYS 591 -4.400 -11.375 7.343 367 HZ3 LYS 591 HZ3 LYS 591 -5.176 -11.550 5.856 368 H LEU 592 HN LEU 592 -9.704 -7.092 3.372 369 HA LEU 592 HA LEU 592 -8.101 -4.914 2.804 370 HB2 LEU 592 HB2 LEU 592 -10.704 -5.904 2.188 371 HB3 LEU 592 HB1 LEU 592 -10.794 -4.169 2.426 372 HG LEU 592 HG LEU 592 -8.867 -5.473 0.512 373 HD11 LEU 592 HD11 LEU 592 -10.455 -4.841 -1.241 374 HD12 LEU 592 HD12 LEU 592 -11.604 -4.306 -0.008 375 HD13 LEU 592 HD13 LEU 592 -11.157 -6.010 -0.123 376 HD21 LEU 592 HD21 LEU 592 -8.784 -3.225 -0.437 377 HD22 LEU 592 HD22 LEU 592 -8.292 -3.235 1.259 378 HD23 LEU 592 HD23 LEU 592 -9.899 -2.660 0.809 379 H GLY 593 HN GLY 593 -10.678 -5.370 5.139 380 HA2 GLY 593 HA2 GLY 593 -11.099 -2.819 6.091 381 HA3 GLY 593 HA1 GLY 593 -11.216 -4.273 7.070 382 H ARG 594 HN ARG 594 -8.345 -4.946 6.755 383 HA ARG 594 HA ARG 594 -7.497 -3.293 8.921 384 HB2 ARG 594 HB2 ARG 594 -7.044 -5.682 9.042 385 HB3 ARG 594 HB1 ARG 594 -6.102 -5.617 7.570 386 HG2 ARG 594 HG2 ARG 594 -4.671 -5.736 9.540 387 HG3 ARG 594 HG1 ARG 594 -4.437 -4.214 8.676 388 HD2 ARG 594 HD2 ARG 594 -5.871 -3.072 10.230 389 HD3 ARG 594 HD1 ARG 594 -6.222 -4.595 11.042 390 HE ARG 594 HE ARG 594 -3.443 -4.090 11.009 391 HH11 ARG 594 HH11 ARG 594 -6.389 -2.969 12.580 392 HH12 ARG 594 HH12 ARG 594 -5.640 -2.463 14.015 393 HH21 ARG 594 HH21 ARG 594 -2.349 -3.350 12.973 394 HH22 ARG 594 HH22 ARG 594 -3.279 -2.675 14.232 395 H VAL 595 HN VAL 595 -6.684 -3.688 5.494 396 HA VAL 595 HA VAL 595 -4.416 -2.008 5.733 397 HB VAL 595 HB VAL 595 -4.735 -3.576 3.759 398 HG11 VAL 595 HG11 VAL 595 -7.012 -3.099 3.183 399 HG12 VAL 595 HG12 VAL 595 -5.945 -2.828 1.802 400 HG13 VAL 595 HG13 VAL 595 -6.573 -1.457 2.718 401 HG21 VAL 595 HG21 VAL 595 -4.087 -0.714 3.108 402 HG22 VAL 595 HG22 VAL 595 -3.659 -2.110 2.115 403 HG23 VAL 595 HG23 VAL 595 -2.972 -1.932 3.729 404 H VAL 596 HN VAL 596 -7.785 -1.409 5.199 405 HA VAL 596 HA VAL 596 -7.681 1.350 4.611 406 HB VAL 596 HB VAL 596 -9.775 0.041 6.393 407 HG11 VAL 596 HG11 VAL 596 -9.931 2.465 6.295 408 HG12 VAL 596 HG12 VAL 596 -11.286 1.708 5.435 409 HG13 VAL 596 HG13 VAL 596 -9.948 2.383 4.526 410 HG21 VAL 596 HG21 VAL 596 -9.728 0.122 3.379 411 HG22 VAL 596 HG22 VAL 596 -11.092 -0.394 4.367 412 HG23 VAL 596 HG23 VAL 596 -9.588 -1.310 4.394 413 H HIS 597 HN HIS 597 -7.511 -0.386 7.686 414 HA HIS 597 HA HIS 597 -7.510 1.874 9.360 415 HB2 HIS 597 HB2 HIS 597 -8.068 -0.467 10.039 416 HB3 HIS 597 HB1 HIS 597 -6.379 -0.891 9.819 417 HD1 HIS 597 HD1 HIS 597 -8.686 0.826 12.114 418 HD2 HIS 597 HD2 HIS 597 -4.644 0.022 11.794 419 HE1 HIS 597 HE1 HIS 597 -7.673 1.401 14.370 420 H ILE 598 HN ILE 598 -5.028 0.065 7.672 421 HA ILE 598 HA ILE 598 -2.841 1.181 8.988 422 HB ILE 598 HB ILE 598 -2.914 0.085 6.149 423 HG12 ILE 598 HG12 ILE 598 -2.168 -1.290 8.745 424 HG13 ILE 598 HG11 ILE 598 -3.696 -1.507 7.907 425 HG21 ILE 598 HG21 ILE 598 -0.493 -0.269 6.492 426 HG22 ILE 598 HG22 ILE 598 -0.615 0.532 8.059 427 HG23 ILE 598 HG23 ILE 598 -0.929 1.440 6.579 428 HD11 ILE 598 HD11 ILE 598 -0.963 -2.279 6.887 429 HD12 ILE 598 HD12 ILE 598 -2.465 -2.428 5.978 430 HD13 ILE 598 HD13 ILE 598 -2.243 -3.362 7.450 431 H ILE 599 HN ILE 599 -4.592 2.147 6.055 432 HA ILE 599 HA ILE 599 -3.024 4.457 5.596 433 HB ILE 599 HB ILE 599 -5.878 3.841 4.708 434 HG12 ILE 599 HG12 ILE 599 -4.940 4.012 2.415 435 HG13 ILE 599 HG11 ILE 599 -3.359 4.329 3.101 436 HG21 ILE 599 HG21 ILE 599 -5.811 6.218 5.137 437 HG22 ILE 599 HG22 ILE 599 -5.890 5.914 3.394 438 HG23 ILE 599 HG23 ILE 599 -4.358 6.366 4.152 439 HD11 ILE 599 HD11 ILE 599 -3.726 2.052 2.244 440 HD12 ILE 599 HD12 ILE 599 -4.876 1.791 3.587 441 HD13 ILE 599 HD13 ILE 599 -3.199 2.151 3.915 442 H GLN 600 HN GLN 600 -6.017 3.962 7.485 443 HA GLN 600 HA GLN 600 -6.513 6.561 8.292 444 HB2 GLN 600 HB2 GLN 600 -6.875 4.109 10.009 445 HB3 GLN 600 HB1 GLN 600 -7.636 5.671 10.268 446 HG2 GLN 600 HG2 GLN 600 -8.603 5.453 8.039 447 HG3 GLN 600 HG1 GLN 600 -8.093 3.758 8.010 448 HE21 GLN 600 HE21 GLN 600 -10.227 6.096 9.017 449 HE22 GLN 600 HE22 GLN 600 -11.348 5.080 9.861 450 H SER 601 HN SER 601 -4.126 4.401 9.428 451 HA SER 601 HA SER 601 -3.480 5.580 11.849 452 HB2 SER 601 HB2 SER 601 -1.678 4.173 9.899 453 HB3 SER 601 HB1 SER 601 -1.292 4.465 11.601 454 HG SER 601 HG SER 601 -3.492 2.913 10.604 455 H ARG 602 HN ARG 602 -2.290 6.395 8.583 456 HA ARG 602 HA ARG 602 -0.860 8.638 9.822 457 HB2 ARG 602 HB2 ARG 602 0.402 7.048 8.307 458 HB3 ARG 602 HB1 ARG 602 -0.577 7.634 6.980 459 HG2 ARG 602 HG2 ARG 602 1.096 9.520 8.617 460 HG3 ARG 602 HG1 ARG 602 1.799 8.591 7.301 461 HD2 ARG 602 HD2 ARG 602 0.345 9.625 5.720 462 HD3 ARG 602 HD1 ARG 602 -0.562 10.466 6.993 463 HE ARG 602 HE ARG 602 2.146 11.132 7.192 464 HH11 ARG 602 HH11 ARG 602 -0.646 11.902 5.062 465 HH12 ARG 602 HH12 ARG 602 0.061 13.332 4.506 466 HH21 ARG 602 HH21 ARG 602 3.025 13.136 6.386 467 HH22 ARG 602 HH22 ARG 602 2.160 14.059 5.261 468 H GLU 603 HN GLU 603 -3.405 7.805 7.632 469 HA GLU 603 HA GLU 603 -3.727 10.574 6.856 470 HB2 GLU 603 HB2 GLU 603 -4.597 8.020 5.596 471 HB3 GLU 603 HB1 GLU 603 -5.409 9.533 5.212 472 HG2 GLU 603 HG2 GLU 603 -2.488 8.940 4.866 473 HG3 GLU 603 HG1 GLU 603 -3.700 9.050 3.582 474 HA PRO 604 HA PRO 604 -7.276 10.397 9.441 475 HB2 PRO 604 HB2 PRO 604 -7.217 12.916 10.269 476 HB3 PRO 604 HB1 PRO 604 -5.930 11.747 10.701 477 HG2 PRO 604 HG2 PRO 604 -5.845 13.884 8.608 478 HG3 PRO 604 HG1 PRO 604 -4.637 13.459 9.840 479 HD2 PRO 604 HD2 PRO 604 -4.670 12.528 7.218 480 HD3 PRO 604 HD1 PRO 604 -3.765 11.814 8.571 481 H SER 605 HN SER 605 -6.560 11.731 6.481 482 HA SER 605 HA SER 605 -8.775 13.300 5.803 483 HB2 SER 605 HB2 SER 605 -7.169 11.523 3.960 484 HB3 SER 605 HB1 SER 605 -7.846 13.120 3.628 485 HG SER 605 HG SER 605 -5.415 12.600 4.375 486 H LEU 606 HN LEU 606 -7.936 9.912 5.657 487 HA LEU 606 HA LEU 606 -10.208 8.963 4.304 488 HB2 LEU 606 HB2 LEU 606 -8.196 7.745 4.339 489 HB3 LEU 606 HB1 LEU 606 -8.233 7.662 6.091 490 HG LEU 606 HG LEU 606 -10.346 6.348 5.892 491 HD11 LEU 606 HD11 LEU 606 -10.984 6.959 3.641 492 HD12 LEU 606 HD12 LEU 606 -10.792 5.214 3.799 493 HD13 LEU 606 HD13 LEU 606 -9.540 6.170 2.995 494 HD21 LEU 606 HD21 LEU 606 -7.929 5.187 4.619 495 HD22 LEU 606 HD22 LEU 606 -9.175 4.372 5.652 496 HD23 LEU 606 HD23 LEU 606 -8.132 5.655 6.302 497 H ARG 607 HN ARG 607 -9.234 8.691 7.691 498 HA ARG 607 HA ARG 607 -11.391 7.687 8.999 499 HB2 ARG 607 HB2 ARG 607 -9.837 10.092 9.882 500 HB3 ARG 607 HB1 ARG 607 -10.830 9.076 10.903 501 HG2 ARG 607 HG2 ARG 607 -9.373 7.251 10.605 502 HG3 ARG 607 HG1 ARG 607 -8.366 8.136 9.453 503 HD2 ARG 607 HD2 ARG 607 -8.037 9.880 11.293 504 HD3 ARG 607 HD1 ARG 607 -8.944 8.826 12.357 505 HE ARG 607 HE ARG 607 -6.544 7.740 11.158 506 HH11 ARG 607 HH11 ARG 607 -8.082 9.131 14.039 507 HH12 ARG 607 HH12 ARG 607 -6.807 8.721 15.087 508 HH21 ARG 607 HH21 ARG 607 -4.812 7.195 12.563 509 HH22 ARG 607 HH22 ARG 607 -4.890 7.553 14.220 510 H ASP 608 HN ASP 608 -11.079 10.950 7.749 511 HA ASP 608 HA ASP 608 -13.357 12.049 9.024 512 HB2 ASP 608 HB2 ASP 608 -11.547 13.455 8.272 513 HB3 ASP 608 HB1 ASP 608 -11.766 12.913 6.615 514 H SER 609 HN SER 609 -12.839 10.274 6.136 515 HA SER 609 HA SER 609 -15.497 10.849 5.105 516 HB2 SER 609 HB2 SER 609 -13.394 10.979 3.669 517 HB3 SER 609 HB1 SER 609 -13.239 9.243 3.884 518 HG SER 609 HG SER 609 -14.432 10.285 1.990 519 H ASN 610 HN ASN 610 -15.863 8.395 3.801 520 HA ASN 610 HA ASN 610 -16.435 6.667 6.090 521 HB2 ASN 610 HB2 ASN 610 -17.439 6.417 3.240 522 HB3 ASN 610 HB1 ASN 610 -17.901 5.391 4.572 523 HD21 ASN 610 HD21 ASN 610 -18.133 7.575 6.516 524 HD22 ASN 610 HD22 ASN 610 -19.562 8.430 6.104 525 HA PRO 611 HA PRO 611 -12.906 4.252 4.947 526 HB2 PRO 611 HB2 PRO 611 -13.302 2.172 6.640 527 HB3 PRO 611 HB1 PRO 611 -12.737 3.755 7.186 528 HG2 PRO 611 HG2 PRO 611 -15.470 2.578 7.289 529 HG3 PRO 611 HG1 PRO 611 -14.620 3.552 8.501 530 HD2 PRO 611 HD2 PRO 611 -16.520 4.595 6.782 531 HD3 PRO 611 HD1 PRO 611 -15.183 5.539 7.479 532 H ASP 612 HN ASP 612 -16.057 3.430 4.339 533 HA ASP 612 HA ASP 612 -15.990 0.787 3.354 534 HB2 ASP 612 HB2 ASP 612 -18.060 2.177 3.612 535 HB3 ASP 612 HB1 ASP 612 -17.560 3.114 2.217 536 H GLU 613 HN GLU 613 -15.338 3.883 1.844 537 HA GLU 613 HA GLU 613 -14.031 2.492 -0.374 538 HB2 GLU 613 HB2 GLU 613 -15.645 4.210 -1.080 539 HB3 GLU 613 HB1 GLU 613 -14.871 5.389 -0.038 540 HG2 GLU 613 HG2 GLU 613 -12.823 5.208 -1.419 541 HG3 GLU 613 HG1 GLU 613 -13.683 4.113 -2.495 542 H ILE 614 HN ILE 614 -11.968 2.162 0.113 543 HA ILE 614 HA ILE 614 -10.567 4.075 1.774 544 HB ILE 614 HB ILE 614 -10.147 1.729 2.292 545 HG12 ILE 614 HG12 ILE 614 -7.782 3.144 1.060 546 HG13 ILE 614 HG11 ILE 614 -8.275 3.136 2.748 547 HG21 ILE 614 HG21 ILE 614 -9.203 1.492 -0.517 548 HG22 ILE 614 HG22 ILE 614 -10.596 0.677 0.229 549 HG23 ILE 614 HG23 ILE 614 -8.947 0.250 0.714 550 HD11 ILE 614 HD11 ILE 614 -6.330 1.717 2.433 551 HD12 ILE 614 HD12 ILE 614 -7.158 0.823 1.185 552 HD13 ILE 614 HD13 ILE 614 -7.717 0.696 2.838 553 H GLU 615 HN GLU 615 -9.501 5.606 0.927 554 HA GLU 615 HA GLU 615 -8.759 5.381 -1.872 555 HB2 GLU 615 HB2 GLU 615 -10.249 7.278 -1.540 556 HB3 GLU 615 HB1 GLU 615 -9.204 7.906 -0.267 557 HG2 GLU 615 HG2 GLU 615 -7.457 8.372 -1.810 558 HG3 GLU 615 HG1 GLU 615 -8.280 7.500 -3.098 559 H ILE 616 HN ILE 616 -6.904 4.703 -2.018 560 HA ILE 616 HA ILE 616 -4.908 5.330 0.012 561 HB ILE 616 HB ILE 616 -4.517 3.450 -2.328 562 HG12 ILE 616 HG12 ILE 616 -5.670 2.665 0.345 563 HG13 ILE 616 HG11 ILE 616 -6.657 2.907 -1.093 564 HG21 ILE 616 HG21 ILE 616 -2.573 4.069 -0.982 565 HG22 ILE 616 HG22 ILE 616 -2.978 2.367 -0.771 566 HG23 ILE 616 HG23 ILE 616 -3.410 3.535 0.476 567 HD11 ILE 616 HD11 ILE 616 -4.465 0.886 -0.753 568 HD12 ILE 616 HD12 ILE 616 -5.436 1.116 -2.209 569 HD13 ILE 616 HD13 ILE 616 -6.198 0.564 -0.718 570 H ASP 617 HN ASP 617 -4.071 7.268 -0.497 571 HA ASP 617 HA ASP 617 -3.377 7.794 -3.287 572 HB2 ASP 617 HB2 ASP 617 -4.654 9.558 -2.062 573 HB3 ASP 617 HB1 ASP 617 -3.318 9.683 -0.918 574 H PHE 618 HN PHE 618 -1.494 6.933 -3.719 575 HA PHE 618 HA PHE 618 0.311 6.250 -1.633 576 HB2 PHE 618 HB2 PHE 618 0.537 5.915 -4.626 577 HB3 PHE 618 HB1 PHE 618 1.671 5.265 -3.454 578 HD1 PHE 618 HD1 PHE 618 1.288 3.154 -2.475 579 HD2 PHE 618 HD2 PHE 618 -1.883 5.080 -4.549 580 HE1 PHE 618 HE1 PHE 618 -0.059 1.080 -2.365 581 HE2 PHE 618 HE2 PHE 618 -3.210 3.012 -4.438 582 HZ PHE 618 HZ PHE 618 -2.282 1.001 -3.338 583 H GLU 619 HN GLU 619 -0.093 9.096 -3.308 584 HA GLU 619 HA GLU 619 2.741 9.675 -3.473 585 HB2 GLU 619 HB2 GLU 619 0.446 11.532 -4.107 586 HB3 GLU 619 HB1 GLU 619 2.131 11.740 -4.552 587 HG2 GLU 619 HG2 GLU 619 0.159 9.748 -5.636 588 HG3 GLU 619 HG1 GLU 619 0.977 11.045 -6.496 589 H THR 620 HN THR 620 -0.115 10.790 -1.687 590 HA THR 620 HA THR 620 1.505 12.564 -0.093 591 HB THR 620 HB THR 620 -0.644 12.859 1.254 592 HG1 THR 620 HG1 THR 620 -1.733 11.403 -0.954 593 HG21 THR 620 HG21 THR 620 0.035 14.474 -0.432 594 HG22 THR 620 HG22 THR 620 -1.712 14.231 -0.517 595 HG23 THR 620 HG23 THR 620 -0.652 13.465 -1.703 596 H LEU 621 HN LEU 621 0.464 9.327 0.108 597 HA LEU 621 HA LEU 621 0.718 8.902 2.872 598 HB2 LEU 621 HB2 LEU 621 0.918 7.132 0.489 599 HB3 LEU 621 HB1 LEU 621 1.318 6.513 2.078 600 HG LEU 621 HG LEU 621 -1.374 7.690 1.359 601 HD11 LEU 621 HD11 LEU 621 -0.901 5.637 0.092 602 HD12 LEU 621 HD12 LEU 621 -2.115 5.354 1.345 603 HD13 LEU 621 HD13 LEU 621 -0.446 4.834 1.594 604 HD21 LEU 621 HD21 LEU 621 -2.035 6.563 3.431 605 HD22 LEU 621 HD22 LEU 621 -0.796 7.795 3.727 606 HD23 LEU 621 HD23 LEU 621 -0.349 6.077 3.647 607 H LYS 622 HN LYS 622 2.354 8.455 4.112 608 HA LYS 622 HA LYS 622 5.021 9.025 3.179 609 HB2 LYS 622 HB2 LYS 622 3.855 8.333 5.866 610 HB3 LYS 622 HB1 LYS 622 5.587 8.441 5.616 611 HG2 LYS 622 HG2 LYS 622 3.624 10.670 5.136 612 HG3 LYS 622 HG1 LYS 622 4.606 10.483 6.587 613 HD2 LYS 622 HD2 LYS 622 6.632 10.509 5.052 614 HD3 LYS 622 HD1 LYS 622 5.533 11.014 3.768 615 HE2 LYS 622 HE2 LYS 622 6.579 12.967 4.713 616 HE3 LYS 622 HE1 LYS 622 4.874 12.950 5.169 617 HZ1 LYS 622 HZ1 LYS 622 5.546 12.051 7.363 618 HZ2 LYS 622 HZ2 LYS 622 6.267 13.531 7.060 619 HZ3 LYS 622 HZ3 LYS 622 7.153 12.129 6.888 620 HA PRO 623 HA PRO 623 6.509 4.927 2.350 621 HB2 PRO 623 HB2 PRO 623 8.892 4.988 3.849 622 HB3 PRO 623 HB1 PRO 623 8.704 5.523 2.191 623 HG2 PRO 623 HG2 PRO 623 8.654 7.128 4.704 624 HG3 PRO 623 HG1 PRO 623 9.363 7.532 3.131 625 HD2 PRO 623 HD2 PRO 623 7.066 8.622 3.900 626 HD3 PRO 623 HD1 PRO 623 7.304 8.104 2.215 627 H THR 624 HN THR 624 6.228 6.049 5.665 628 HA THR 624 HA THR 624 6.640 3.600 6.951 629 HB THR 624 HB THR 624 5.219 4.840 8.736 630 HG1 THR 624 HG1 THR 624 4.878 6.936 8.351 631 HG21 THR 624 HG21 THR 624 7.181 6.184 9.372 632 HG22 THR 624 HG22 THR 624 7.848 5.955 7.753 633 HG23 THR 624 HG23 THR 624 7.662 4.574 8.834 634 H THR 625 HN THR 625 3.816 5.213 5.688 635 HA THR 625 HA THR 625 2.058 3.167 6.583 636 HB THR 625 HB THR 625 1.593 5.217 4.450 637 HG1 THR 625 HG1 THR 625 1.948 5.500 7.214 638 HG21 THR 625 HG21 THR 625 -0.166 3.892 6.516 639 HG22 THR 625 HG22 THR 625 -0.150 3.553 4.788 640 HG23 THR 625 HG23 THR 625 -0.717 5.122 5.379 641 H LEU 626 HN LEU 626 3.366 4.289 3.490 642 HA LEU 626 HA LEU 626 2.228 2.537 1.750 643 HB2 LEU 626 HB2 LEU 626 4.990 3.708 1.672 644 HB3 LEU 626 HB1 LEU 626 4.259 2.855 0.329 645 HG LEU 626 HG LEU 626 3.064 5.328 1.558 646 HD11 LEU 626 HD11 LEU 626 5.275 5.835 0.569 647 HD12 LEU 626 HD12 LEU 626 3.962 6.525 -0.382 648 HD13 LEU 626 HD13 LEU 626 4.766 5.059 -0.934 649 HD21 LEU 626 HD21 LEU 626 1.486 3.919 0.374 650 HD22 LEU 626 HD22 LEU 626 2.570 3.858 -1.015 651 HD23 LEU 626 HD23 LEU 626 1.821 5.384 -0.553 652 H ARG 627 HN ARG 627 5.246 2.062 3.563 653 HA ARG 627 HA ARG 627 5.869 -0.428 2.422 654 HB2 ARG 627 HB2 ARG 627 7.505 1.062 3.579 655 HB3 ARG 627 HB1 ARG 627 6.728 0.650 5.104 656 HG2 ARG 627 HG2 ARG 627 8.767 -0.647 4.795 657 HG3 ARG 627 HG1 ARG 627 7.350 -1.704 4.770 658 HD2 ARG 627 HD2 ARG 627 7.395 -1.649 2.293 659 HD3 ARG 627 HD1 ARG 627 8.858 -0.671 2.367 660 HE ARG 627 HE ARG 627 9.615 -2.786 3.749 661 HH11 ARG 627 HH11 ARG 627 7.891 -2.594 0.670 662 HH12 ARG 627 HH12 ARG 627 8.395 -4.107 0.121 663 HH21 ARG 627 HH21 ARG 627 10.408 -4.754 3.002 664 HH22 ARG 627 HH22 ARG 627 9.956 -5.378 1.461 665 H GLU 628 HN GLU 628 3.973 0.552 5.236 666 HA GLU 628 HA GLU 628 3.818 -1.985 6.477 667 HB2 GLU 628 HB2 GLU 628 3.327 0.307 7.485 668 HB3 GLU 628 HB1 GLU 628 1.799 0.262 6.627 669 HG2 GLU 628 HG2 GLU 628 1.312 -0.411 8.822 670 HG3 GLU 628 HG1 GLU 628 1.324 -1.892 7.870 671 H LEU 629 HN LEU 629 2.013 -0.309 3.974 672 HA LEU 629 HA LEU 629 -0.225 -2.018 3.772 673 HB2 LEU 629 HB2 LEU 629 0.996 -0.689 1.342 674 HB3 LEU 629 HB1 LEU 629 -0.686 -1.058 1.679 675 HG LEU 629 HG LEU 629 0.897 1.119 2.993 676 HD11 LEU 629 HD11 LEU 629 -0.547 2.605 1.707 677 HD12 LEU 629 HD12 LEU 629 -1.274 1.206 0.912 678 HD13 LEU 629 HD13 LEU 629 0.430 1.577 0.656 679 HD21 LEU 629 HD21 LEU 629 -2.017 0.400 3.181 680 HD22 LEU 629 HD22 LEU 629 -1.228 1.800 3.914 681 HD23 LEU 629 HD23 LEU 629 -0.814 0.174 4.453 682 H GLU 630 HN GLU 630 2.838 -1.942 1.935 683 HA GLU 630 HA GLU 630 2.308 -4.215 0.365 684 HB2 GLU 630 HB2 GLU 630 4.207 -2.529 -0.022 685 HB3 GLU 630 HB1 GLU 630 5.091 -3.423 1.203 686 HG2 GLU 630 HG2 GLU 630 4.774 -5.505 -0.110 687 HG3 GLU 630 HG1 GLU 630 4.052 -4.541 -1.388 688 H ARG 631 HN ARG 631 3.912 -3.794 3.405 689 HA ARG 631 HA ARG 631 4.924 -6.376 3.849 690 HB2 ARG 631 HB2 ARG 631 5.565 -4.376 5.100 691 HB3 ARG 631 HB1 ARG 631 3.954 -4.277 5.779 692 HG2 ARG 631 HG2 ARG 631 4.339 -6.420 6.921 693 HG3 ARG 631 HG1 ARG 631 5.992 -6.423 6.298 694 HD2 ARG 631 HD2 ARG 631 6.396 -4.268 7.384 695 HD3 ARG 631 HD1 ARG 631 4.757 -4.298 8.028 696 HE ARG 631 HE ARG 631 6.506 -6.517 8.664 697 HH11 ARG 631 HH11 ARG 631 4.769 -3.619 9.762 698 HH12 ARG 631 HH12 ARG 631 5.192 -3.849 11.392 699 HH21 ARG 631 HH21 ARG 631 7.032 -6.825 10.878 700 HH22 ARG 631 HH22 ARG 631 6.468 -5.715 12.056 701 H TYR 632 HN TYR 632 1.802 -4.988 4.358 702 HA TYR 632 HA TYR 632 0.824 -7.214 5.877 703 HB2 TYR 632 HB2 TYR 632 0.005 -5.098 6.425 704 HB3 TYR 632 HB1 TYR 632 -0.534 -4.763 4.775 705 HD1 TYR 632 HD1 TYR 632 -2.615 -5.542 4.016 706 HD2 TYR 632 HD2 TYR 632 -1.145 -6.800 7.791 707 HE1 TYR 632 HE1 TYR 632 -4.756 -6.509 4.487 708 HE2 TYR 632 HE2 TYR 632 -3.324 -7.794 8.318 709 HH TYR 632 HH TYR 632 -5.597 -7.571 7.659 710 H VAL 633 HN VAL 633 0.154 -5.839 2.693 711 HA VAL 633 HA VAL 633 -1.610 -7.833 1.922 712 HB VAL 633 HB VAL 633 -1.364 -7.123 -0.379 713 HG11 VAL 633 HG11 VAL 633 -1.166 -4.751 1.456 714 HG12 VAL 633 HG12 VAL 633 -2.641 -5.633 1.061 715 HG13 VAL 633 HG13 VAL 633 -1.793 -4.726 -0.188 716 HG21 VAL 633 HG21 VAL 633 1.064 -5.632 0.546 717 HG22 VAL 633 HG22 VAL 633 0.312 -5.408 -1.039 718 HG23 VAL 633 HG23 VAL 633 1.028 -6.970 -0.603 719 H LYS 634 HN LYS 634 1.904 -7.686 1.637 720 HA LYS 634 HA LYS 634 2.142 -10.038 0.125 721 HB2 LYS 634 HB2 LYS 634 4.542 -9.996 0.616 722 HB3 LYS 634 HB1 LYS 634 3.974 -8.332 0.481 723 HG2 LYS 634 HG2 LYS 634 4.012 -8.050 2.831 724 HG3 LYS 634 HG1 LYS 634 4.375 -9.743 3.087 725 HD2 LYS 634 HD2 LYS 634 6.387 -8.457 3.411 726 HD3 LYS 634 HD1 LYS 634 6.552 -9.412 1.946 727 HE2 LYS 634 HE2 LYS 634 5.588 -6.587 1.780 728 HE3 LYS 634 HE1 LYS 634 7.307 -6.892 2.000 729 HZ1 LYS 634 HZ1 LYS 634 7.308 -8.161 -0.043 730 HZ2 LYS 634 HZ2 LYS 634 6.753 -6.610 -0.319 731 HZ3 LYS 634 HZ3 LYS 634 5.661 -7.888 -0.300 732 H SER 635 HN SER 635 2.024 -9.493 3.631 733 HA SER 635 HA SER 635 2.588 -12.214 4.195 734 HB2 SER 635 HB2 SER 635 1.800 -11.594 6.553 735 HB3 SER 635 HB1 SER 635 3.201 -10.731 5.928 736 HG SER 635 HG SER 635 2.082 -8.946 5.787 737 H CYS 636 HN CYS 636 -0.304 -10.470 3.560 738 HA CYS 636 HA CYS 636 -2.011 -12.569 4.506 739 HB2 CYS 636 HB2 CYS 636 -2.627 -10.130 4.518 740 HB3 CYS 636 HB1 CYS 636 -2.715 -10.197 2.766 741 HG CYS 636 HG CYS 636 -4.709 -12.385 3.069 742 H LEU 637 HN LEU 637 -0.529 -11.650 1.492 743 HA LEU 637 HA LEU 637 -2.082 -13.458 -0.111 744 HB2 LEU 637 HB2 LEU 637 0.458 -11.966 -0.615 745 HB3 LEU 637 HB1 LEU 637 -0.309 -12.975 -1.832 746 HG LEU 637 HG LEU 637 -1.461 -10.482 -0.575 747 HD11 LEU 637 HD11 LEU 637 -1.174 -9.527 -2.793 748 HD12 LEU 637 HD12 LEU 637 -0.388 -11.009 -3.331 749 HD13 LEU 637 HD13 LEU 637 0.361 -10.013 -2.081 750 HD21 LEU 637 HD21 LEU 637 -3.219 -10.706 -2.273 751 HD22 LEU 637 HD22 LEU 637 -3.224 -12.052 -1.136 752 HD23 LEU 637 HD23 LEU 637 -2.540 -12.261 -2.749 753 H GLN 638 HN GLN 638 0.708 -13.687 1.833 754 HA GLN 638 HA GLN 638 1.706 -16.026 0.572 755 HB2 GLN 638 HB2 GLN 638 2.473 -14.560 3.012 756 HB3 GLN 638 HB1 GLN 638 3.219 -16.115 2.637 757 HG2 GLN 638 HG2 GLN 638 3.191 -13.709 0.849 758 HG3 GLN 638 HG1 GLN 638 4.567 -14.178 1.862 759 HE21 GLN 638 HE21 GLN 638 2.759 -14.815 -1.002 760 HE22 GLN 638 HE22 GLN 638 3.813 -16.000 -1.663 761 H LYS 639 HN LYS 639 -0.655 -16.670 0.946 762 HA LYS 639 HA LYS 639 -1.284 -17.965 3.404 763 HB2 LYS 639 HB2 LYS 639 -2.389 -18.563 0.641 764 HB3 LYS 639 HB1 LYS 639 -3.094 -19.075 2.170 765 HG2 LYS 639 HG2 LYS 639 -3.509 -16.750 2.774 766 HG3 LYS 639 HG1 LYS 639 -2.781 -16.219 1.261 767 HD2 LYS 639 HD2 LYS 639 -5.048 -16.136 0.779 768 HD3 LYS 639 HD1 LYS 639 -4.585 -17.705 0.147 769 HE2 LYS 639 HE2 LYS 639 -5.928 -17.199 2.814 770 HE3 LYS 639 HE1 LYS 639 -6.736 -17.746 1.357 771 HZ1 LYS 639 HZ1 LYS 639 -5.232 -19.781 1.517 772 HZ2 LYS 639 HZ2 LYS 639 -6.452 -19.586 2.626 773 HZ3 LYS 639 HZ3 LYS 639 -4.897 -19.277 3.125 774 H LYS 640 HN LYS 640 -0.916 -19.958 4.013 775 HA LYS 640 HA LYS 640 1.234 -21.386 2.601 776 HB2 LYS 640 HB2 LYS 640 0.204 -21.760 5.414 777 HB3 LYS 640 HB1 LYS 640 1.655 -22.463 4.725 778 HG2 LYS 640 HG2 LYS 640 1.209 -19.517 5.135 779 HG3 LYS 640 HG1 LYS 640 2.111 -20.566 6.226 780 HD2 LYS 640 HD2 LYS 640 3.714 -21.057 4.464 781 HD3 LYS 640 HD1 LYS 640 2.779 -20.093 3.324 782 HE2 LYS 640 HE2 LYS 640 4.740 -18.912 4.205 783 HE3 LYS 640 HE1 LYS 640 3.230 -18.080 4.583 784 HZ1 LYS 640 HZ1 LYS 640 4.786 -18.136 6.438 785 HZ2 LYS 640 HZ2 LYS 640 4.754 -19.823 6.450 786 HZ3 LYS 640 HZ3 LYS 640 3.370 -18.946 6.820 787 H GLN 641 HN GLN 641 -2.056 -21.470 3.558 788 HA GLN 641 HA GLN 641 -3.794 -22.760 3.028 789 HB2 GLN 641 HB2 GLN 641 -2.630 -23.125 0.829 790 HB3 GLN 641 HB1 GLN 641 -1.858 -24.542 1.506 791 HG2 GLN 641 HG2 GLN 641 -3.680 -25.221 0.107 792 HG3 GLN 641 HG1 GLN 641 -4.069 -25.573 1.786 793 HE21 GLN 641 HE21 GLN 641 -5.786 -25.230 -0.528 794 HE22 GLN 641 HE22 GLN 641 -6.909 -23.991 -0.120 795 H ARG 642 HN ARG 642 -1.446 -23.453 4.959 796 HA ARG 642 HA ARG 642 -2.212 -26.119 5.878 797 HB2 ARG 642 HB2 ARG 642 -0.454 -24.163 7.382 798 HB3 ARG 642 HB1 ARG 642 -0.473 -25.910 7.514 799 HG2 ARG 642 HG2 ARG 642 0.572 -24.300 5.191 800 HG3 ARG 642 HG1 ARG 642 1.530 -25.161 6.392 801 HD2 ARG 642 HD2 ARG 642 0.602 -27.280 5.591 802 HD3 ARG 642 HD1 ARG 642 -0.370 -26.406 4.406 803 HE ARG 642 HE ARG 642 2.364 -25.729 4.177 804 HH11 ARG 642 HH11 ARG 642 0.059 -28.255 3.254 805 HH12 ARG 642 HH12 ARG 642 1.031 -28.832 1.975 806 HH21 ARG 642 HH21 ARG 642 3.618 -26.478 2.402 807 HH22 ARG 642 HH22 ARG 642 3.075 -27.780 1.449 808 H LYS 643 HN LYS 643 -1.931 -22.966 7.427 809 HA LYS 643 HA LYS 643 -4.602 -23.277 8.474 810 HB2 LYS 643 HB2 LYS 643 -3.176 -23.560 10.403 811 HB3 LYS 643 HB1 LYS 643 -2.211 -22.155 10.021 812 HG2 LYS 643 HG2 LYS 643 -4.193 -20.735 10.411 813 HG3 LYS 643 HG1 LYS 643 -5.109 -22.177 10.856 814 HD2 LYS 643 HD2 LYS 643 -3.578 -22.593 12.695 815 HD3 LYS 643 HD1 LYS 643 -2.613 -21.192 12.233 816 HE2 LYS 643 HE2 LYS 643 -5.498 -21.120 13.130 817 HE3 LYS 643 HE1 LYS 643 -4.104 -20.712 14.130 818 HZ1 LYS 643 HZ1 LYS 643 -5.115 -18.699 13.238 819 HZ2 LYS 643 HZ2 LYS 643 -4.985 -19.264 11.681 820 HZ3 LYS 643 HZ3 LYS 643 -3.603 -18.898 12.534 821 HA PRO 644 HA PRO 644 -4.074 -18.741 7.092 822 HB2 PRO 644 HB2 PRO 644 -1.448 -18.445 5.851 823 HB3 PRO 644 HB1 PRO 644 -2.158 -17.480 7.148 824 HG2 PRO 644 HG2 PRO 644 -0.059 -19.152 7.544 825 HG3 PRO 644 HG1 PRO 644 -1.261 -18.816 8.801 826 HD2 PRO 644 HD2 PRO 644 -1.030 -21.158 6.958 827 HD3 PRO 644 HD1 PRO 644 -1.373 -21.122 8.698 Start of MODEL 9 1 H1 LYS 290 HT1 LYS 290 -7.721 13.506 -19.053 2 H2 LYS 290 HT2 LYS 290 -8.035 11.941 -19.611 3 H3 LYS 290 HT3 LYS 290 -6.447 12.441 -19.358 4 HA LYS 290 HA LYS 290 -6.787 12.608 -17.031 5 HB2 LYS 290 HB2 LYS 290 -9.135 13.216 -17.006 6 HB3 LYS 290 HB1 LYS 290 -9.593 11.677 -17.716 7 HG2 LYS 290 HG2 LYS 290 -10.134 11.753 -15.339 8 HG3 LYS 290 HG1 LYS 290 -8.901 10.535 -15.655 9 HD2 LYS 290 HD2 LYS 290 -7.173 12.064 -14.888 10 HD3 LYS 290 HD1 LYS 290 -8.381 13.321 -14.607 11 HE2 LYS 290 HE2 LYS 290 -8.278 10.638 -13.216 12 HE3 LYS 290 HE1 LYS 290 -7.690 12.154 -12.540 13 HZ1 LYS 290 HZ1 LYS 290 -10.522 11.592 -13.289 14 HZ2 LYS 290 HZ2 LYS 290 -9.957 13.026 -12.656 15 HZ3 LYS 290 HZ3 LYS 290 -9.897 11.616 -11.730 16 H VAL 291 HN VAL 291 -5.511 11.015 -16.374 17 HA VAL 291 HA VAL 291 -6.289 8.291 -17.073 18 HB VAL 291 HB VAL 291 -3.890 7.637 -17.132 19 HG11 VAL 291 HG11 VAL 291 -5.011 8.072 -19.239 20 HG12 VAL 291 HG12 VAL 291 -3.324 8.583 -19.323 21 HG13 VAL 291 HG13 VAL 291 -4.601 9.783 -19.120 22 HG21 VAL 291 HG21 VAL 291 -3.338 10.604 -17.034 23 HG22 VAL 291 HG22 VAL 291 -2.135 9.348 -17.332 24 HG23 VAL 291 HG23 VAL 291 -2.950 9.437 -15.771 25 H ALA 292 HN ALA 292 -5.876 6.758 -15.488 26 HA ALA 292 HA ALA 292 -5.442 7.888 -12.827 27 HB1 ALA 292 HB1 ALA 292 -6.738 5.280 -13.658 28 HB2 ALA 292 HB2 ALA 292 -7.589 6.728 -13.123 29 HB3 ALA 292 HB3 ALA 292 -6.554 5.847 -11.997 30 HA PRO 293 HA PRO 293 -1.435 5.844 -13.542 31 HB2 PRO 293 HB2 PRO 293 -0.810 7.096 -10.938 32 HB3 PRO 293 HB1 PRO 293 0.030 7.265 -12.483 33 HG2 PRO 293 HG2 PRO 293 -1.431 9.269 -11.481 34 HG3 PRO 293 HG1 PRO 293 -1.386 8.940 -13.224 35 HD2 PRO 293 HD2 PRO 293 -3.498 8.248 -11.217 36 HD3 PRO 293 HD1 PRO 293 -3.665 8.877 -12.873 37 H LEU 294 HN LEU 294 -3.255 6.015 -10.586 38 HA LEU 294 HA LEU 294 -3.229 3.285 -9.965 39 HB2 LEU 294 HB2 LEU 294 -1.467 5.149 -8.335 40 HB3 LEU 294 HB1 LEU 294 -2.167 3.726 -7.613 41 HG LEU 294 HG LEU 294 -0.233 3.734 -9.919 42 HD11 LEU 294 HD11 LEU 294 1.354 2.823 -8.307 43 HD12 LEU 294 HD12 LEU 294 0.149 2.909 -7.041 44 HD13 LEU 294 HD13 LEU 294 0.784 4.400 -7.754 45 HD21 LEU 294 HD21 LEU 294 -1.804 1.849 -9.956 46 HD22 LEU 294 HD22 LEU 294 -1.320 1.434 -8.308 47 HD23 LEU 294 HD23 LEU 294 -0.151 1.363 -9.630 48 H LYS 295 HN LYS 295 -3.795 3.664 -7.218 49 HA LYS 295 HA LYS 295 -5.181 4.490 -5.669 50 HB2 LYS 295 HB2 LYS 295 -6.263 6.434 -7.702 51 HB3 LYS 295 HB1 LYS 295 -6.680 6.407 -5.999 52 HG2 LYS 295 HG2 LYS 295 -4.278 6.915 -5.486 53 HG3 LYS 295 HG1 LYS 295 -4.014 7.104 -7.221 54 HD2 LYS 295 HD2 LYS 295 -5.950 8.692 -5.537 55 HD3 LYS 295 HD1 LYS 295 -4.400 9.272 -6.143 56 HE2 LYS 295 HE2 LYS 295 -5.184 9.082 -8.430 57 HE3 LYS 295 HE1 LYS 295 -6.693 8.360 -7.882 58 HZ1 LYS 295 HZ1 LYS 295 -5.786 11.115 -7.286 59 HZ2 LYS 295 HZ2 LYS 295 -7.216 10.422 -6.748 60 HZ3 LYS 295 HZ3 LYS 295 -6.973 10.672 -8.403 61 H ILE 296 HN ILE 296 -6.729 3.325 -4.979 62 HA ILE 296 HA ILE 296 -8.913 2.671 -6.757 63 HB ILE 296 HB ILE 296 -7.330 0.778 -6.848 64 HG12 ILE 296 HG12 ILE 296 -8.849 -1.068 -6.065 65 HG13 ILE 296 HG11 ILE 296 -9.838 0.152 -5.271 66 HG21 ILE 296 HG21 ILE 296 -6.819 -0.595 -4.886 67 HG22 ILE 296 HG22 ILE 296 -7.605 0.607 -3.864 68 HG23 ILE 296 HG23 ILE 296 -6.160 1.038 -4.779 69 HD11 ILE 296 HD11 ILE 296 -10.796 -0.516 -7.395 70 HD12 ILE 296 HD12 ILE 296 -9.316 -0.055 -8.230 71 HD13 ILE 296 HD13 ILE 296 -10.306 1.177 -7.449 72 H LYS 297 HN LYS 297 -10.862 2.673 -5.704 73 HA LYS 297 HA LYS 297 -10.797 3.300 -2.846 74 HB2 LYS 297 HB2 LYS 297 -12.812 3.851 -4.999 75 HB3 LYS 297 HB1 LYS 297 -13.272 3.842 -3.320 76 HG2 LYS 297 HG2 LYS 297 -12.953 6.089 -4.153 77 HG3 LYS 297 HG1 LYS 297 -11.791 5.720 -2.887 78 HD2 LYS 297 HD2 LYS 297 -10.023 5.560 -4.456 79 HD3 LYS 297 HD1 LYS 297 -11.146 5.527 -5.818 80 HE2 LYS 297 HE2 LYS 297 -10.008 7.734 -5.467 81 HE3 LYS 297 HE1 LYS 297 -11.774 7.802 -5.465 82 HZ1 LYS 297 HZ1 LYS 297 -10.866 9.146 -3.704 83 HZ2 LYS 297 HZ2 LYS 297 -9.956 7.918 -3.120 84 HZ3 LYS 297 HZ3 LYS 297 -11.655 7.841 -2.998 85 H LEU 298 HN LEU 298 -12.030 2.163 -1.481 86 HA LEU 298 HA LEU 298 -13.054 -0.362 -2.440 87 HB2 LEU 298 HB2 LEU 298 -12.133 0.666 0.171 88 HB3 LEU 298 HB1 LEU 298 -13.496 -0.426 0.257 89 HG LEU 298 HG LEU 298 -11.212 -1.470 0.556 90 HD11 LEU 298 HD11 LEU 298 -11.768 -3.447 -0.847 91 HD12 LEU 298 HD12 LEU 298 -12.983 -2.483 -1.688 92 HD13 LEU 298 HD13 LEU 298 -13.159 -2.825 0.034 93 HD21 LEU 298 HD21 LEU 298 -9.979 -0.295 -1.197 94 HD22 LEU 298 HD22 LEU 298 -11.039 -0.959 -2.426 95 HD23 LEU 298 HD23 LEU 298 -9.957 -2.021 -1.540 96 H GLY 299 HN GLY 299 -15.129 -0.709 -0.491 97 HA2 GLY 299 HA2 GLY 299 -17.398 -0.187 -0.377 98 HA3 GLY 299 HA1 GLY 299 -17.072 1.278 -1.325 99 H GLY 300 HN GLY 300 -16.533 -2.128 -1.696 100 HA2 GLY 300 HA2 GLY 300 -17.437 -3.452 -3.466 101 HA3 GLY 300 HA1 GLY 300 -17.540 -1.989 -4.453 102 H PHE 301 HN PHE 301 -15.939 -1.783 -5.906 103 HA PHE 301 HA PHE 301 -13.220 -2.411 -5.074 104 HB2 PHE 301 HB2 PHE 301 -14.491 -3.646 -7.530 105 HB3 PHE 301 HB1 PHE 301 -12.752 -3.536 -7.310 106 HD1 PHE 301 HD1 PHE 301 -15.741 -5.363 -6.546 107 HD2 PHE 301 HD2 PHE 301 -11.707 -4.743 -5.367 108 HE1 PHE 301 HE1 PHE 301 -15.780 -7.493 -5.309 109 HE2 PHE 301 HE2 PHE 301 -11.733 -6.866 -4.130 110 HZ PHE 301 HZ PHE 301 -13.772 -8.245 -4.098 111 H ALA 557 HN ALA 557 37.323 -0.263 3.554 112 HA ALA 557 HA ALA 557 39.525 -1.008 1.756 113 HB1 ALA 557 HB1 ALA 557 37.840 -2.067 0.308 114 HB2 ALA 557 HB2 ALA 557 36.595 -1.716 1.510 115 HB3 ALA 557 HB3 ALA 557 37.905 -2.833 1.896 116 H SER 558 HN SER 558 38.324 1.517 2.839 117 HA SER 558 HA SER 558 37.862 3.630 2.215 118 HB2 SER 558 HB2 SER 558 38.636 2.710 -0.575 119 HB3 SER 558 HB1 SER 558 38.571 4.382 -0.009 120 HG SER 558 HG SER 558 40.045 2.992 1.677 121 H ALA 559 HN ALA 559 35.809 1.620 2.230 122 HA ALA 559 HA ALA 559 34.031 2.420 0.055 123 HB1 ALA 559 HB1 ALA 559 34.276 0.002 0.472 124 HB2 ALA 559 HB2 ALA 559 32.618 0.549 0.718 125 HB3 ALA 559 HB3 ALA 559 33.656 0.234 2.108 126 H SER 560 HN SER 560 32.930 4.194 0.477 127 HA SER 560 HA SER 560 32.108 4.765 3.209 128 HB2 SER 560 HB2 SER 560 32.044 6.491 0.732 129 HB3 SER 560 HB1 SER 560 31.723 7.025 2.383 130 HG SER 560 HG SER 560 34.051 5.852 2.481 131 H TYR 561 HN TYR 561 30.206 3.700 3.589 132 HA TYR 561 HA TYR 561 27.959 4.522 2.021 133 HB2 TYR 561 HB2 TYR 561 27.094 2.307 1.562 134 HB3 TYR 561 HB1 TYR 561 28.713 2.408 0.882 135 HD1 TYR 561 HD1 TYR 561 30.525 1.617 2.484 136 HD2 TYR 561 HD2 TYR 561 26.522 0.418 2.772 137 HE1 TYR 561 HE1 TYR 561 31.256 -0.443 3.726 138 HE2 TYR 561 HE2 TYR 561 27.167 -1.607 4.005 139 HH TYR 561 HH TYR 561 30.344 -2.013 5.230 140 H ASP 562 HN ASP 562 26.057 3.657 2.977 141 HA ASP 562 HA ASP 562 26.067 2.959 5.796 142 HB2 ASP 562 HB2 ASP 562 24.733 5.499 4.794 143 HB3 ASP 562 HB1 ASP 562 24.427 4.792 6.362 144 H SER 563 HN SER 563 24.573 1.468 5.933 145 HA SER 563 HA SER 563 22.494 1.355 3.876 146 HB2 SER 563 HB2 SER 563 23.465 -0.827 5.735 147 HB3 SER 563 HB1 SER 563 22.378 -0.991 4.347 148 HG SER 563 HG SER 563 24.477 0.227 3.462 149 H GLU 564 HN GLU 564 20.583 1.922 4.462 150 HA GLU 564 HA GLU 564 20.208 2.533 7.237 151 HB2 GLU 564 HB2 GLU 564 18.281 3.795 6.543 152 HB3 GLU 564 HB1 GLU 564 19.717 4.216 5.630 153 HG2 GLU 564 HG2 GLU 564 18.851 2.717 3.796 154 HG3 GLU 564 HG1 GLU 564 17.339 2.649 4.709 155 H GLU 565 HN GLU 565 18.648 1.887 8.476 156 HA GLU 565 HA GLU 565 17.674 -0.819 8.101 157 HB2 GLU 565 HB2 GLU 565 17.217 1.140 10.340 158 HB3 GLU 565 HB1 GLU 565 16.961 -0.596 10.403 159 HG2 GLU 565 HG2 GLU 565 19.290 -1.021 10.297 160 HG3 GLU 565 HG1 GLU 565 19.642 0.665 9.921 161 H GLU 566 HN GLU 566 16.666 2.295 7.501 162 HA GLU 566 HA GLU 566 13.941 2.154 8.245 163 HB2 GLU 566 HB2 GLU 566 15.276 4.095 6.370 164 HB3 GLU 566 HB1 GLU 566 13.729 4.298 7.174 165 HG2 GLU 566 HG2 GLU 566 16.434 4.191 8.487 166 HG3 GLU 566 HG1 GLU 566 15.424 5.620 8.268 167 H GLU 567 HN GLU 567 13.174 0.257 7.129 168 HA GLU 567 HA GLU 567 13.146 0.412 4.240 169 HB2 GLU 567 HB2 GLU 567 13.099 -1.825 5.482 170 HB3 GLU 567 HB1 GLU 567 11.434 -1.445 5.921 171 HG2 GLU 567 HG2 GLU 567 10.874 -1.246 3.535 172 HG3 GLU 567 HG1 GLU 567 12.514 -1.718 3.129 173 H GLU 568 HN GLU 568 11.331 1.300 6.921 174 HA GLU 568 HA GLU 568 8.863 2.026 5.587 175 HB2 GLU 568 HB2 GLU 568 9.909 2.957 8.237 176 HB3 GLU 568 HB1 GLU 568 8.257 2.952 7.645 177 HG2 GLU 568 HG2 GLU 568 9.849 0.445 8.165 178 HG3 GLU 568 HG1 GLU 568 8.782 1.183 9.356 179 H GLY 569 HN GLY 569 11.703 3.155 5.069 180 HA2 GLY 569 HA2 GLY 569 10.933 5.981 5.015 181 HA3 GLY 569 HA1 GLY 569 12.530 5.506 5.595 182 H LEU 570 HN LEU 570 11.575 3.370 3.250 183 HA LEU 570 HA LEU 570 13.359 4.606 1.339 184 HB2 LEU 570 HB2 LEU 570 11.937 1.940 1.337 185 HB3 LEU 570 HB1 LEU 570 13.025 2.485 0.080 186 HG LEU 570 HG LEU 570 13.800 1.956 2.948 187 HD11 LEU 570 HD11 LEU 570 14.960 0.002 2.049 188 HD12 LEU 570 HD12 LEU 570 14.330 0.366 0.443 189 HD13 LEU 570 HD13 LEU 570 13.226 -0.089 1.743 190 HD21 LEU 570 HD21 LEU 570 16.102 2.171 2.113 191 HD22 LEU 570 HD22 LEU 570 15.198 3.671 1.943 192 HD23 LEU 570 HD23 LEU 570 15.477 2.646 0.533 193 HA PRO 571 HA PRO 571 9.780 6.284 -0.813 194 HB2 PRO 571 HB2 PRO 571 11.764 6.684 -2.969 195 HB3 PRO 571 HB1 PRO 571 10.713 7.870 -2.190 196 HG2 PRO 571 HG2 PRO 571 13.356 7.831 -1.711 197 HG3 PRO 571 HG1 PRO 571 12.192 8.233 -0.437 198 HD2 PRO 571 HD2 PRO 571 13.673 5.679 -0.911 199 HD3 PRO 571 HD1 PRO 571 13.269 6.499 0.615 200 H MET 572 HN MET 572 8.467 5.115 -2.024 201 HA MET 572 HA MET 572 9.575 2.706 -3.163 202 HB2 MET 572 HB2 MET 572 6.737 3.454 -2.466 203 HB3 MET 572 HB1 MET 572 7.167 1.957 -3.290 204 HG2 MET 572 HG2 MET 572 8.566 1.295 -1.415 205 HG3 MET 572 HG1 MET 572 8.210 2.807 -0.596 206 HE1 MET 572 HE1 MET 572 5.063 -0.502 -1.300 207 HE2 MET 572 HE2 MET 572 6.715 -0.594 -1.910 208 HE3 MET 572 HE3 MET 572 5.575 0.574 -2.596 209 H SER 573 HN SER 573 9.534 2.161 -5.154 210 HA SER 573 HA SER 573 9.454 4.232 -7.123 211 HB2 SER 573 HB2 SER 573 11.093 2.432 -7.246 212 HB3 SER 573 HB1 SER 573 9.818 1.224 -7.302 213 HG SER 573 HG SER 573 10.844 2.839 -9.258 214 H TYR 574 HN TYR 574 8.130 3.952 -9.210 215 HA TYR 574 HA TYR 574 5.404 3.630 -8.602 216 HB2 TYR 574 HB2 TYR 574 6.015 4.984 -10.551 217 HB3 TYR 574 HB1 TYR 574 6.741 3.580 -11.339 218 HD1 TYR 574 HD1 TYR 574 5.428 2.181 -12.703 219 HD2 TYR 574 HD2 TYR 574 3.531 4.854 -9.999 220 HE1 TYR 574 HE1 TYR 574 3.236 1.529 -13.601 221 HE2 TYR 574 HE2 TYR 574 1.350 4.230 -10.903 222 HH TYR 574 HH TYR 574 0.393 3.257 -12.838 223 H ASP 575 HN ASP 575 7.856 1.525 -9.782 224 HA ASP 575 HA ASP 575 6.416 -0.726 -10.576 225 HB2 ASP 575 HB2 ASP 575 8.824 -0.494 -10.846 226 HB3 ASP 575 HB1 ASP 575 9.043 -0.493 -9.103 227 H GLU 576 HN GLU 576 7.722 0.133 -7.435 228 HA GLU 576 HA GLU 576 6.719 -2.011 -5.990 229 HB2 GLU 576 HB2 GLU 576 7.443 0.750 -5.054 230 HB3 GLU 576 HB1 GLU 576 7.219 -0.638 -4.000 231 HG2 GLU 576 HG2 GLU 576 9.042 -1.778 -5.249 232 HG3 GLU 576 HG1 GLU 576 9.306 -0.291 -6.126 233 H LYS 577 HN LYS 577 5.498 1.292 -6.315 234 HA LYS 577 HA LYS 577 3.189 1.029 -4.723 235 HB2 LYS 577 HB2 LYS 577 3.813 2.827 -7.011 236 HB3 LYS 577 HB1 LYS 577 2.411 3.072 -5.973 237 HG2 LYS 577 HG2 LYS 577 3.891 3.331 -4.009 238 HG3 LYS 577 HG1 LYS 577 5.295 3.106 -5.042 239 HD2 LYS 577 HD2 LYS 577 3.312 5.384 -5.295 240 HD3 LYS 577 HD1 LYS 577 4.857 5.483 -4.454 241 HE2 LYS 577 HE2 LYS 577 5.980 4.901 -6.602 242 HE3 LYS 577 HE1 LYS 577 4.400 4.960 -7.384 243 HZ1 LYS 577 HZ1 LYS 577 5.670 7.231 -5.967 244 HZ2 LYS 577 HZ2 LYS 577 4.211 7.288 -6.813 245 HZ3 LYS 577 HZ3 LYS 577 5.651 7.035 -7.634 246 H ARG 578 HN ARG 578 3.609 0.651 -8.193 247 HA ARG 578 HA ARG 578 0.951 0.002 -8.816 248 HB2 ARG 578 HB2 ARG 578 2.408 0.555 -10.640 249 HB3 ARG 578 HB1 ARG 578 3.561 -0.657 -10.167 250 HG2 ARG 578 HG2 ARG 578 2.339 -1.224 -12.240 251 HG3 ARG 578 HG1 ARG 578 2.187 -2.435 -10.977 252 HD2 ARG 578 HD2 ARG 578 0.058 -2.174 -12.058 253 HD3 ARG 578 HD1 ARG 578 -0.060 -1.516 -10.435 254 HE ARG 578 HE ARG 578 0.502 0.582 -12.236 255 HH11 ARG 578 HH11 ARG 578 -2.173 -1.638 -11.378 256 HH12 ARG 578 HH12 ARG 578 -3.374 -0.600 -11.967 257 HH21 ARG 578 HH21 ARG 578 -1.190 1.969 -13.022 258 HH22 ARG 578 HH22 ARG 578 -2.808 1.498 -12.911 259 H GLN 579 HN GLN 579 3.680 -2.164 -7.986 260 HA GLN 579 HA GLN 579 2.235 -4.530 -8.170 261 HB2 GLN 579 HB2 GLN 579 4.680 -4.344 -8.134 262 HB3 GLN 579 HB1 GLN 579 4.613 -3.761 -6.483 263 HG2 GLN 579 HG2 GLN 579 5.302 -6.081 -6.690 264 HG3 GLN 579 HG1 GLN 579 3.841 -5.831 -5.710 265 HE21 GLN 579 HE21 GLN 579 1.985 -6.767 -6.307 266 HE22 GLN 579 HE22 GLN 579 1.737 -7.740 -7.694 267 H LEU 580 HN LEU 580 2.799 -2.314 -5.539 268 HA LEU 580 HA LEU 580 1.593 -3.566 -3.401 269 HB2 LEU 580 HB2 LEU 580 2.894 -1.360 -3.645 270 HB3 LEU 580 HB1 LEU 580 1.368 -0.645 -4.070 271 HG LEU 580 HG LEU 580 2.091 -1.880 -1.423 272 HD11 LEU 580 HD11 LEU 580 2.014 0.405 -0.604 273 HD12 LEU 580 HD12 LEU 580 1.648 0.974 -2.235 274 HD13 LEU 580 HD13 LEU 580 3.202 0.218 -1.899 275 HD21 LEU 580 HD21 LEU 580 -0.448 -0.464 -2.252 276 HD22 LEU 580 HD22 LEU 580 -0.026 -0.937 -0.615 277 HD23 LEU 580 HD23 LEU 580 -0.277 -2.168 -1.850 278 H SER 581 HN SER 581 0.158 -1.447 -5.923 279 HA SER 581 HA SER 581 -2.447 -1.517 -4.873 280 HB2 SER 581 HB2 SER 581 -1.634 0.237 -6.427 281 HB3 SER 581 HB1 SER 581 -1.567 -0.959 -7.719 282 HG SER 581 HG SER 581 -4.003 -1.040 -6.619 283 H LEU 582 HN LEU 582 -0.742 -3.519 -7.208 284 HA LEU 582 HA LEU 582 -2.978 -5.007 -8.175 285 HB2 LEU 582 HB2 LEU 582 -0.141 -5.969 -7.869 286 HB3 LEU 582 HB1 LEU 582 -1.357 -6.602 -8.955 287 HG LEU 582 HG LEU 582 -0.049 -3.909 -9.131 288 HD11 LEU 582 HD11 LEU 582 0.992 -4.805 -11.166 289 HD12 LEU 582 HD12 LEU 582 0.218 -6.361 -10.874 290 HD13 LEU 582 HD13 LEU 582 1.433 -5.761 -9.750 291 HD21 LEU 582 HD21 LEU 582 -2.074 -5.212 -10.950 292 HD22 LEU 582 HD22 LEU 582 -1.217 -3.708 -11.285 293 HD23 LEU 582 HD23 LEU 582 -2.332 -3.803 -9.925 294 H ASP 583 HN ASP 583 -0.701 -5.611 -5.578 295 HA ASP 583 HA ASP 583 -1.998 -7.973 -4.817 296 HB2 ASP 583 HB2 ASP 583 -0.072 -6.217 -3.305 297 HB3 ASP 583 HB1 ASP 583 -0.708 -7.723 -2.654 298 H ILE 584 HN ILE 584 -2.524 -4.626 -3.810 299 HA ILE 584 HA ILE 584 -4.431 -5.243 -1.818 300 HB ILE 584 HB ILE 584 -4.171 -2.785 -3.584 301 HG12 ILE 584 HG12 ILE 584 -3.549 -3.279 -0.675 302 HG13 ILE 584 HG11 ILE 584 -2.375 -3.034 -1.967 303 HG21 ILE 584 HG21 ILE 584 -5.765 -1.645 -2.090 304 HG22 ILE 584 HG22 ILE 584 -6.078 -3.205 -1.316 305 HG23 ILE 584 HG23 ILE 584 -6.503 -2.964 -3.008 306 HD11 ILE 584 HD11 ILE 584 -3.199 -0.733 -2.233 307 HD12 ILE 584 HD12 ILE 584 -2.622 -1.043 -0.591 308 HD13 ILE 584 HD13 ILE 584 -4.354 -1.023 -0.932 309 H ASN 585 HN ASN 585 -4.759 -4.728 -5.294 310 HA ASN 585 HA ASN 585 -7.572 -5.020 -5.330 311 HB2 ASN 585 HB2 ASN 585 -5.507 -5.202 -7.513 312 HB3 ASN 585 HB1 ASN 585 -7.200 -5.552 -7.838 313 HD21 ASN 585 HD21 ASN 585 -8.693 -3.865 -7.752 314 HD22 ASN 585 HD22 ASN 585 -8.207 -2.213 -7.817 315 H ARG 586 HN ARG 586 -5.088 -7.249 -5.060 316 HA ARG 586 HA ARG 586 -6.649 -9.539 -5.862 317 HB2 ARG 586 HB2 ARG 586 -4.006 -9.295 -4.457 318 HB3 ARG 586 HB1 ARG 586 -4.750 -10.849 -4.816 319 HG2 ARG 586 HG2 ARG 586 -4.663 -10.408 -7.162 320 HG3 ARG 586 HG1 ARG 586 -4.139 -8.750 -6.873 321 HD2 ARG 586 HD2 ARG 586 -2.064 -9.579 -5.920 322 HD3 ARG 586 HD1 ARG 586 -2.594 -11.241 -6.196 323 HE ARG 586 HE ARG 586 -2.810 -10.299 -8.624 324 HH11 ARG 586 HH11 ARG 586 -0.120 -9.617 -6.361 325 HH12 ARG 586 HH12 ARG 586 1.033 -9.646 -7.594 326 HH21 ARG 586 HH21 ARG 586 -1.152 -10.208 -10.275 327 HH22 ARG 586 HH22 ARG 586 0.467 -9.912 -9.811 328 H LEU 587 HN LEU 587 -6.517 -7.679 -3.011 329 HA LEU 587 HA LEU 587 -7.399 -9.867 -1.307 330 HB2 LEU 587 HB2 LEU 587 -7.039 -6.947 -0.680 331 HB3 LEU 587 HB1 LEU 587 -7.420 -8.196 0.474 332 HG LEU 587 HG LEU 587 -4.840 -7.765 -0.996 333 HD11 LEU 587 HD11 LEU 587 -5.598 -7.716 1.910 334 HD12 LEU 587 HD12 LEU 587 -5.190 -6.327 0.898 335 HD13 LEU 587 HD13 LEU 587 -3.964 -7.546 1.275 336 HD21 LEU 587 HD21 LEU 587 -4.007 -9.681 0.289 337 HD22 LEU 587 HD22 LEU 587 -5.194 -10.103 -0.944 338 HD23 LEU 587 HD23 LEU 587 -5.669 -10.062 0.766 339 HA PRO 588 HA PRO 588 -11.700 -8.545 -1.600 340 HB2 PRO 588 HB2 PRO 588 -12.683 -9.926 0.502 341 HB3 PRO 588 HB1 PRO 588 -12.223 -10.741 -0.997 342 HG2 PRO 588 HG2 PRO 588 -10.724 -10.512 1.573 343 HG3 PRO 588 HG1 PRO 588 -10.909 -11.912 0.504 344 HD2 PRO 588 HD2 PRO 588 -8.677 -10.312 0.525 345 HD3 PRO 588 HD1 PRO 588 -9.226 -11.227 -0.893 346 H GLY 589 HN GLY 589 -13.296 -7.475 -0.136 347 HA2 GLY 589 HA2 GLY 589 -12.282 -5.135 0.932 348 HA3 GLY 589 HA1 GLY 589 -13.904 -5.721 1.190 349 H GLU 590 HN GLU 590 -13.183 -8.038 2.728 350 HA GLU 590 HA GLU 590 -13.101 -6.952 5.312 351 HB2 GLU 590 HB2 GLU 590 -13.980 -9.183 4.877 352 HB3 GLU 590 HB1 GLU 590 -12.377 -9.732 4.403 353 HG2 GLU 590 HG2 GLU 590 -11.592 -9.197 6.713 354 HG3 GLU 590 HG1 GLU 590 -13.270 -8.878 7.143 355 H LYS 591 HN LYS 591 -10.568 -8.264 3.288 356 HA LYS 591 HA LYS 591 -8.559 -8.154 5.323 357 HB2 LYS 591 HB2 LYS 591 -8.292 -8.477 2.330 358 HB3 LYS 591 HB1 LYS 591 -7.019 -8.776 3.507 359 HG2 LYS 591 HG2 LYS 591 -9.620 -10.300 3.333 360 HG3 LYS 591 HG1 LYS 591 -8.075 -10.855 2.687 361 HD2 LYS 591 HD2 LYS 591 -7.142 -10.885 4.959 362 HD3 LYS 591 HD1 LYS 591 -8.669 -10.275 5.596 363 HE2 LYS 591 HE2 LYS 591 -9.815 -12.285 4.863 364 HE3 LYS 591 HE1 LYS 591 -8.339 -12.889 4.114 365 HZ1 LYS 591 HZ1 LYS 591 -7.347 -13.145 6.261 366 HZ2 LYS 591 HZ2 LYS 591 -8.885 -13.852 6.336 367 HZ3 LYS 591 HZ3 LYS 591 -8.624 -12.354 7.025 368 H LEU 592 HN LEU 592 -9.777 -6.049 2.796 369 HA LEU 592 HA LEU 592 -7.732 -4.184 2.806 370 HB2 LEU 592 HB2 LEU 592 -10.515 -4.309 1.969 371 HB3 LEU 592 HB1 LEU 592 -9.924 -2.705 2.330 372 HG LEU 592 HG LEU 592 -9.786 -3.239 -0.009 373 HD11 LEU 592 HD11 LEU 592 -8.190 -1.684 1.067 374 HD12 LEU 592 HD12 LEU 592 -7.571 -2.434 -0.381 375 HD13 LEU 592 HD13 LEU 592 -7.024 -3.008 1.202 376 HD21 LEU 592 HD21 LEU 592 -7.823 -5.369 0.804 377 HD22 LEU 592 HD22 LEU 592 -8.129 -4.842 -0.851 378 HD23 LEU 592 HD23 LEU 592 -9.411 -5.621 0.081 379 H GLY 593 HN GLY 593 -10.226 -4.832 5.115 380 HA2 GLY 593 HA2 GLY 593 -10.626 -2.402 6.370 381 HA3 GLY 593 HA1 GLY 593 -10.612 -3.946 7.211 382 H ARG 594 HN ARG 594 -7.969 -4.660 6.859 383 HA ARG 594 HA ARG 594 -6.698 -3.167 8.876 384 HB2 ARG 594 HB2 ARG 594 -6.147 -5.439 8.767 385 HB3 ARG 594 HB1 ARG 594 -5.833 -5.392 7.052 386 HG2 ARG 594 HG2 ARG 594 -3.808 -5.705 8.354 387 HG3 ARG 594 HG1 ARG 594 -3.769 -4.210 7.430 388 HD2 ARG 594 HD2 ARG 594 -4.147 -2.917 9.328 389 HD3 ARG 594 HD1 ARG 594 -4.593 -4.319 10.298 390 HE ARG 594 HE ARG 594 -2.173 -5.038 9.830 391 HH11 ARG 594 HH11 ARG 594 -3.094 -1.681 10.420 392 HH12 ARG 594 HH12 ARG 594 -1.493 -1.135 10.624 393 HH21 ARG 594 HH21 ARG 594 0.008 -4.295 10.095 394 HH22 ARG 594 HH22 ARG 594 0.353 -2.659 10.383 395 H VAL 595 HN VAL 595 -6.372 -3.236 5.363 396 HA VAL 595 HA VAL 595 -4.107 -1.497 5.248 397 HB VAL 595 HB VAL 595 -6.142 -1.766 3.046 398 HG11 VAL 595 HG11 VAL 595 -4.481 -0.126 2.643 399 HG12 VAL 595 HG12 VAL 595 -4.287 -1.519 1.561 400 HG13 VAL 595 HG13 VAL 595 -3.216 -1.329 2.945 401 HG21 VAL 595 HG21 VAL 595 -4.951 -3.685 2.176 402 HG22 VAL 595 HG22 VAL 595 -5.624 -4.028 3.781 403 HG23 VAL 595 HG23 VAL 595 -3.902 -3.658 3.591 404 H VAL 596 HN VAL 596 -7.561 -1.022 5.233 405 HA VAL 596 HA VAL 596 -7.631 1.695 4.695 406 HB VAL 596 HB VAL 596 -9.479 0.142 6.574 407 HG11 VAL 596 HG11 VAL 596 -9.915 2.746 5.152 408 HG12 VAL 596 HG12 VAL 596 -9.696 2.548 6.898 409 HG13 VAL 596 HG13 VAL 596 -11.126 1.879 6.091 410 HG21 VAL 596 HG21 VAL 596 -9.832 0.789 3.651 411 HG22 VAL 596 HG22 VAL 596 -10.996 -0.048 4.680 412 HG23 VAL 596 HG23 VAL 596 -9.442 -0.800 4.313 413 H HIS 597 HN HIS 597 -7.267 -0.090 7.798 414 HA HIS 597 HA HIS 597 -7.163 2.247 9.406 415 HB2 HIS 597 HB2 HIS 597 -6.195 -0.558 10.029 416 HB3 HIS 597 HB1 HIS 597 -6.367 0.739 11.200 417 HD1 HIS 597 HD1 HIS 597 -9.284 1.702 10.271 418 HD2 HIS 597 HD2 HIS 597 -8.116 -2.241 10.937 419 HE1 HIS 597 HE1 HIS 597 -11.366 0.439 10.773 420 H ILE 598 HN ILE 598 -4.841 0.344 7.709 421 HA ILE 598 HA ILE 598 -2.470 1.310 8.772 422 HB ILE 598 HB ILE 598 -3.103 0.444 5.923 423 HG12 ILE 598 HG12 ILE 598 -1.625 -0.958 8.162 424 HG13 ILE 598 HG11 ILE 598 -3.267 -1.300 7.655 425 HG21 ILE 598 HG21 ILE 598 -1.271 1.908 5.746 426 HG22 ILE 598 HG22 ILE 598 -0.706 0.240 5.573 427 HG23 ILE 598 HG23 ILE 598 -0.431 1.118 7.088 428 HD11 ILE 598 HD11 ILE 598 -0.792 -1.704 5.974 429 HD12 ILE 598 HD12 ILE 598 -2.424 -2.140 5.486 430 HD13 ILE 598 HD13 ILE 598 -1.667 -2.953 6.839 431 H ILE 599 HN ILE 599 -4.402 2.560 6.057 432 HA ILE 599 HA ILE 599 -2.811 4.838 5.693 433 HB ILE 599 HB ILE 599 -5.637 4.201 4.840 434 HG12 ILE 599 HG12 ILE 599 -3.119 4.194 3.211 435 HG13 ILE 599 HG11 ILE 599 -3.628 2.792 4.147 436 HG21 ILE 599 HG21 ILE 599 -5.283 6.621 4.822 437 HG22 ILE 599 HG22 ILE 599 -5.314 6.013 3.168 438 HG23 ILE 599 HG23 ILE 599 -3.776 6.422 3.936 439 HD11 ILE 599 HD11 ILE 599 -5.674 2.747 2.978 440 HD12 ILE 599 HD12 ILE 599 -4.307 2.569 1.882 441 HD13 ILE 599 HD13 ILE 599 -5.200 4.116 1.965 442 H GLN 600 HN GLN 600 -5.802 4.261 7.543 443 HA GLN 600 HA GLN 600 -6.377 6.870 8.302 444 HB2 GLN 600 HB2 GLN 600 -6.743 4.409 9.982 445 HB3 GLN 600 HB1 GLN 600 -7.551 5.955 10.210 446 HG2 GLN 600 HG2 GLN 600 -8.394 5.710 7.904 447 HG3 GLN 600 HG1 GLN 600 -7.844 4.040 7.944 448 HE21 GLN 600 HE21 GLN 600 -10.116 6.266 9.008 449 HE22 GLN 600 HE22 GLN 600 -11.168 5.181 9.858 450 H SER 601 HN SER 601 -3.962 4.749 9.495 451 HA SER 601 HA SER 601 -3.267 5.937 11.929 452 HB2 SER 601 HB2 SER 601 -1.506 4.677 9.854 453 HB3 SER 601 HB1 SER 601 -1.020 4.956 11.531 454 HG SER 601 HG SER 601 -3.295 3.373 10.800 455 H ARG 602 HN ARG 602 -2.470 6.806 8.638 456 HA ARG 602 HA ARG 602 -0.887 9.092 9.568 457 HB2 ARG 602 HB2 ARG 602 0.221 7.759 7.897 458 HB3 ARG 602 HB1 ARG 602 -1.190 7.833 6.848 459 HG2 ARG 602 HG2 ARG 602 -0.866 10.338 6.807 460 HG3 ARG 602 HG1 ARG 602 0.702 10.049 7.560 461 HD2 ARG 602 HD2 ARG 602 1.447 8.786 5.710 462 HD3 ARG 602 HD1 ARG 602 -0.173 8.730 5.014 463 HE ARG 602 HE ARG 602 1.589 11.078 5.120 464 HH11 ARG 602 HH11 ARG 602 -1.311 9.490 3.862 465 HH12 ARG 602 HH12 ARG 602 -1.673 10.723 2.764 466 HH21 ARG 602 HH21 ARG 602 1.107 12.749 3.549 467 HH22 ARG 602 HH22 ARG 602 -0.286 12.609 2.585 468 H GLU 603 HN GLU 603 -3.676 8.188 7.693 469 HA GLU 603 HA GLU 603 -4.224 10.947 6.962 470 HB2 GLU 603 HB2 GLU 603 -4.993 8.333 5.800 471 HB3 GLU 603 HB1 GLU 603 -6.024 9.726 5.523 472 HG2 GLU 603 HG2 GLU 603 -3.095 9.594 4.861 473 HG3 GLU 603 HG1 GLU 603 -4.404 9.312 3.712 474 HA PRO 604 HA PRO 604 -7.510 10.468 9.919 475 HB2 PRO 604 HB2 PRO 604 -7.588 12.964 10.822 476 HB3 PRO 604 HB1 PRO 604 -6.177 11.895 11.097 477 HG2 PRO 604 HG2 PRO 604 -6.455 14.028 9.004 478 HG3 PRO 604 HG1 PRO 604 -5.151 13.806 10.187 479 HD2 PRO 604 HD2 PRO 604 -5.096 12.813 7.624 480 HD3 PRO 604 HD1 PRO 604 -4.184 12.118 8.982 481 H SER 605 HN SER 605 -7.106 11.938 6.979 482 HA SER 605 HA SER 605 -9.488 13.349 6.511 483 HB2 SER 605 HB2 SER 605 -7.865 11.810 4.514 484 HB3 SER 605 HB1 SER 605 -8.671 13.362 4.285 485 HG SER 605 HG SER 605 -6.200 12.948 4.848 486 H LEU 606 HN LEU 606 -8.339 10.071 6.090 487 HA LEU 606 HA LEU 606 -10.613 9.049 4.781 488 HB2 LEU 606 HB2 LEU 606 -8.289 8.125 4.753 489 HB3 LEU 606 HB1 LEU 606 -8.537 7.573 6.388 490 HG LEU 606 HG LEU 606 -10.138 6.625 3.986 491 HD11 LEU 606 HD11 LEU 606 -7.847 6.042 3.786 492 HD12 LEU 606 HD12 LEU 606 -8.816 4.601 4.152 493 HD13 LEU 606 HD13 LEU 606 -7.837 5.374 5.419 494 HD21 LEU 606 HD21 LEU 606 -10.810 4.761 5.493 495 HD22 LEU 606 HD22 LEU 606 -11.341 6.353 6.065 496 HD23 LEU 606 HD23 LEU 606 -9.968 5.593 6.820 497 H ARG 607 HN ARG 607 -9.479 9.074 8.072 498 HA ARG 607 HA ARG 607 -11.494 7.672 9.368 499 HB2 ARG 607 HB2 ARG 607 -9.957 10.043 10.364 500 HB3 ARG 607 HB1 ARG 607 -10.898 8.960 11.375 501 HG2 ARG 607 HG2 ARG 607 -9.479 7.129 10.776 502 HG3 ARG 607 HG1 ARG 607 -8.529 8.149 9.703 503 HD2 ARG 607 HD2 ARG 607 -7.360 8.002 11.808 504 HD3 ARG 607 HD1 ARG 607 -8.112 9.607 11.660 505 HE ARG 607 HE ARG 607 -9.923 7.971 12.958 506 HH11 ARG 607 HH11 ARG 607 -6.716 9.342 13.659 507 HH12 ARG 607 HH12 ARG 607 -6.970 9.408 15.333 508 HH21 ARG 607 HH21 ARG 607 -10.245 8.046 15.255 509 HH22 ARG 607 HH22 ARG 607 -9.004 8.615 16.267 510 H ASP 608 HN ASP 608 -11.468 10.981 8.293 511 HA ASP 608 HA ASP 608 -13.983 11.628 9.588 512 HB2 ASP 608 HB2 ASP 608 -12.268 13.371 9.051 513 HB3 ASP 608 HB1 ASP 608 -12.629 13.142 7.346 514 H SER 609 HN SER 609 -13.082 10.066 6.783 515 HA SER 609 HA SER 609 -15.654 10.403 5.470 516 HB2 SER 609 HB2 SER 609 -13.150 8.932 4.578 517 HB3 SER 609 HB1 SER 609 -14.543 9.351 3.575 518 HG SER 609 HG SER 609 -12.570 11.061 4.678 519 H ASN 610 HN ASN 610 -15.959 7.855 4.348 520 HA ASN 610 HA ASN 610 -16.515 6.320 6.756 521 HB2 ASN 610 HB2 ASN 610 -18.425 6.667 5.342 522 HB3 ASN 610 HB1 ASN 610 -17.557 6.033 3.935 523 HD21 ASN 610 HD21 ASN 610 -19.246 5.271 6.873 524 HD22 ASN 610 HD22 ASN 610 -19.398 3.579 6.563 525 HA PRO 611 HA PRO 611 -13.008 3.733 6.104 526 HB2 PRO 611 HB2 PRO 611 -13.547 1.846 7.936 527 HB3 PRO 611 HB1 PRO 611 -13.137 3.508 8.388 528 HG2 PRO 611 HG2 PRO 611 -15.845 2.233 8.158 529 HG3 PRO 611 HG1 PRO 611 -15.194 3.233 9.469 530 HD2 PRO 611 HD2 PRO 611 -16.806 4.283 7.509 531 HD3 PRO 611 HD1 PRO 611 -15.495 5.202 8.290 532 H ASP 612 HN ASP 612 -16.108 2.678 5.178 533 HA ASP 612 HA ASP 612 -15.410 -0.058 4.491 534 HB2 ASP 612 HB2 ASP 612 -17.728 0.742 4.908 535 HB3 ASP 612 HB1 ASP 612 -17.622 1.693 3.459 536 H GLU 613 HN GLU 613 -15.218 2.982 3.260 537 HA GLU 613 HA GLU 613 -14.257 2.159 0.604 538 HB2 GLU 613 HB2 GLU 613 -16.063 3.900 0.739 539 HB3 GLU 613 HB1 GLU 613 -14.973 4.901 1.677 540 HG2 GLU 613 HG2 GLU 613 -13.478 5.084 -0.252 541 HG3 GLU 613 HG1 GLU 613 -14.556 4.046 -1.180 542 H ILE 614 HN ILE 614 -12.228 3.481 -0.052 543 HA ILE 614 HA ILE 614 -10.543 4.043 2.238 544 HB ILE 614 HB ILE 614 -10.338 1.554 1.555 545 HG12 ILE 614 HG12 ILE 614 -7.785 3.172 1.354 546 HG13 ILE 614 HG11 ILE 614 -8.577 2.735 2.867 547 HG21 ILE 614 HG21 ILE 614 -8.859 1.112 -0.384 548 HG22 ILE 614 HG22 ILE 614 -9.036 2.805 -0.854 549 HG23 ILE 614 HG23 ILE 614 -10.443 1.749 -0.827 550 HD11 ILE 614 HD11 ILE 614 -8.181 0.385 2.450 551 HD12 ILE 614 HD12 ILE 614 -6.643 1.229 2.255 552 HD13 ILE 614 HD13 ILE 614 -7.572 0.737 0.852 553 H GLU 615 HN GLU 615 -8.804 5.376 1.660 554 HA GLU 615 HA GLU 615 -8.852 6.429 -1.067 555 HB2 GLU 615 HB2 GLU 615 -9.778 8.058 0.518 556 HB3 GLU 615 HB1 GLU 615 -8.321 7.955 1.510 557 HG2 GLU 615 HG2 GLU 615 -8.228 9.955 0.195 558 HG3 GLU 615 HG1 GLU 615 -7.043 8.820 -0.453 559 H ILE 616 HN ILE 616 -7.053 5.780 -2.007 560 HA ILE 616 HA ILE 616 -4.640 5.550 -0.343 561 HB ILE 616 HB ILE 616 -5.159 3.849 -2.785 562 HG12 ILE 616 HG12 ILE 616 -5.596 3.074 0.116 563 HG13 ILE 616 HG11 ILE 616 -6.865 3.313 -1.078 564 HG21 ILE 616 HG21 ILE 616 -2.820 4.142 -2.120 565 HG22 ILE 616 HG22 ILE 616 -3.332 2.480 -1.830 566 HG23 ILE 616 HG23 ILE 616 -3.203 3.611 -0.482 567 HD11 ILE 616 HD11 ILE 616 -6.031 1.411 -2.347 568 HD12 ILE 616 HD12 ILE 616 -6.401 0.962 -0.678 569 HD13 ILE 616 HD13 ILE 616 -4.729 1.205 -1.174 570 H ASP 617 HN ASP 617 -3.837 7.498 -0.924 571 HA ASP 617 HA ASP 617 -3.360 7.949 -3.784 572 HB2 ASP 617 HB2 ASP 617 -4.364 9.851 -2.485 573 HB3 ASP 617 HB1 ASP 617 -2.898 9.903 -1.509 574 H PHE 618 HN PHE 618 -1.705 6.786 -4.289 575 HA PHE 618 HA PHE 618 0.322 5.932 -2.562 576 HB2 PHE 618 HB2 PHE 618 0.174 5.905 -5.573 577 HB3 PHE 618 HB1 PHE 618 1.457 5.155 -4.645 578 HD1 PHE 618 HD1 PHE 618 1.181 3.065 -3.634 579 HD2 PHE 618 HD2 PHE 618 -2.169 5.017 -5.381 580 HE1 PHE 618 HE1 PHE 618 -0.097 0.990 -3.482 581 HE2 PHE 618 HE2 PHE 618 -3.469 2.925 -5.220 582 HZ PHE 618 HZ PHE 618 -2.420 0.898 -4.266 583 H GLU 619 HN GLU 619 0.074 8.794 -4.443 584 HA GLU 619 HA GLU 619 2.905 9.233 -4.600 585 HB2 GLU 619 HB2 GLU 619 0.604 11.042 -5.199 586 HB3 GLU 619 HB1 GLU 619 2.289 11.462 -5.485 587 HG2 GLU 619 HG2 GLU 619 0.732 9.231 -6.781 588 HG3 GLU 619 HG1 GLU 619 1.231 10.742 -7.539 589 H THR 620 HN THR 620 0.326 10.361 -2.487 590 HA THR 620 HA THR 620 2.249 12.138 -1.215 591 HB THR 620 HB THR 620 0.264 12.912 0.171 592 HG1 THR 620 HG1 THR 620 -1.143 11.474 -1.845 593 HG21 THR 620 HG21 THR 620 -0.614 14.288 -1.651 594 HG22 THR 620 HG22 THR 620 0.128 13.204 -2.826 595 HG23 THR 620 HG23 THR 620 1.142 14.159 -1.747 596 H LEU 621 HN LEU 621 0.957 9.076 -0.689 597 HA LEU 621 HA LEU 621 0.895 8.944 2.095 598 HB2 LEU 621 HB2 LEU 621 1.289 6.885 -0.016 599 HB3 LEU 621 HB1 LEU 621 1.451 6.467 1.679 600 HG LEU 621 HG LEU 621 -1.059 7.695 0.531 601 HD11 LEU 621 HD11 LEU 621 -0.352 4.818 1.086 602 HD12 LEU 621 HD12 LEU 621 -0.605 5.513 -0.518 603 HD13 LEU 621 HD13 LEU 621 -1.949 5.401 0.618 604 HD21 LEU 621 HD21 LEU 621 -0.381 6.242 3.053 605 HD22 LEU 621 HD22 LEU 621 -2.006 6.774 2.603 606 HD23 LEU 621 HD23 LEU 621 -0.740 7.967 2.938 607 H LYS 622 HN LYS 622 2.258 8.381 3.637 608 HA LYS 622 HA LYS 622 5.030 8.939 3.414 609 HB2 LYS 622 HB2 LYS 622 3.276 7.717 5.518 610 HB3 LYS 622 HB1 LYS 622 5.010 7.762 5.711 611 HG2 LYS 622 HG2 LYS 622 3.343 10.215 5.259 612 HG3 LYS 622 HG1 LYS 622 3.721 9.575 6.860 613 HD2 LYS 622 HD2 LYS 622 6.146 9.694 6.203 614 HD3 LYS 622 HD1 LYS 622 5.636 10.603 4.780 615 HE2 LYS 622 HE2 LYS 622 4.644 12.308 6.204 616 HE3 LYS 622 HE1 LYS 622 5.069 11.372 7.635 617 HZ1 LYS 622 HZ1 LYS 622 6.972 12.573 5.706 618 HZ2 LYS 622 HZ2 LYS 622 7.405 11.655 7.058 619 HZ3 LYS 622 HZ3 LYS 622 6.654 13.132 7.259 620 HA PRO 623 HA PRO 623 6.659 4.897 2.215 621 HB2 PRO 623 HB2 PRO 623 8.839 4.919 4.039 622 HB3 PRO 623 HB1 PRO 623 8.884 5.429 2.378 623 HG2 PRO 623 HG2 PRO 623 8.634 7.054 4.840 624 HG3 PRO 623 HG1 PRO 623 9.350 7.487 3.279 625 HD2 PRO 623 HD2 PRO 623 6.975 8.455 4.127 626 HD3 PRO 623 HD1 PRO 623 7.328 8.168 2.412 627 H THR 624 HN THR 624 6.214 5.826 5.605 628 HA THR 624 HA THR 624 6.439 3.308 6.805 629 HB THR 624 HB THR 624 4.937 4.583 8.523 630 HG1 THR 624 HG1 THR 624 4.735 6.733 8.144 631 HG21 THR 624 HG21 THR 624 7.684 5.590 7.748 632 HG22 THR 624 HG22 THR 624 7.335 4.274 8.879 633 HG23 THR 624 HG23 THR 624 6.884 5.927 9.278 634 H THR 625 HN THR 625 3.840 5.072 5.280 635 HA THR 625 HA THR 625 1.864 3.174 6.122 636 HB THR 625 HB THR 625 1.583 5.405 4.120 637 HG1 THR 625 HG1 THR 625 1.603 5.421 6.947 638 HG21 THR 625 HG21 THR 625 -0.244 3.793 4.199 639 HG22 THR 625 HG22 THR 625 -0.790 5.338 4.875 640 HG23 THR 625 HG23 THR 625 -0.366 3.994 5.940 641 H LEU 626 HN LEU 626 3.255 4.276 3.047 642 HA LEU 626 HA LEU 626 2.046 2.539 1.310 643 HB2 LEU 626 HB2 LEU 626 4.800 3.713 1.284 644 HB3 LEU 626 HB1 LEU 626 4.226 2.704 -0.025 645 HG LEU 626 HG LEU 626 2.851 5.232 0.842 646 HD11 LEU 626 HD11 LEU 626 5.129 5.718 0.050 647 HD12 LEU 626 HD12 LEU 626 3.923 6.250 -1.121 648 HD13 LEU 626 HD13 LEU 626 4.828 4.762 -1.402 649 HD21 LEU 626 HD21 LEU 626 1.431 3.674 -0.366 650 HD22 LEU 626 HD22 LEU 626 2.648 3.519 -1.628 651 HD23 LEU 626 HD23 LEU 626 1.822 5.056 -1.387 652 H ARG 627 HN ARG 627 4.999 2.012 3.197 653 HA ARG 627 HA ARG 627 5.545 -0.496 2.077 654 HB2 ARG 627 HB2 ARG 627 7.034 1.143 3.472 655 HB3 ARG 627 HB1 ARG 627 6.392 0.234 4.835 656 HG2 ARG 627 HG2 ARG 627 8.537 -0.712 4.172 657 HG3 ARG 627 HG1 ARG 627 7.259 -1.858 3.742 658 HD2 ARG 627 HD2 ARG 627 7.282 -1.018 1.424 659 HD3 ARG 627 HD1 ARG 627 8.522 0.145 1.863 660 HE ARG 627 HE ARG 627 9.440 -2.437 2.453 661 HH11 ARG 627 HH11 ARG 627 8.584 -0.448 -0.354 662 HH12 ARG 627 HH12 ARG 627 9.705 -1.115 -1.437 663 HH21 ARG 627 HH21 ARG 627 11.018 -3.440 0.950 664 HH22 ARG 627 HH22 ARG 627 11.141 -2.864 -0.646 665 H GLU 628 HN GLU 628 3.736 0.570 4.934 666 HA GLU 628 HA GLU 628 3.373 -1.957 6.117 667 HB2 GLU 628 HB2 GLU 628 2.947 0.265 7.203 668 HB3 GLU 628 HB1 GLU 628 1.516 0.419 6.205 669 HG2 GLU 628 HG2 GLU 628 0.651 -0.338 8.218 670 HG3 GLU 628 HG1 GLU 628 0.784 -1.807 7.263 671 H LEU 629 HN LEU 629 1.505 -0.128 3.730 672 HA LEU 629 HA LEU 629 -0.773 -1.751 3.382 673 HB2 LEU 629 HB2 LEU 629 0.769 -0.493 1.108 674 HB3 LEU 629 HB1 LEU 629 -0.950 -0.870 1.178 675 HG LEU 629 HG LEU 629 0.418 1.329 2.721 676 HD11 LEU 629 HD11 LEU 629 -1.317 1.415 0.258 677 HD12 LEU 629 HD12 LEU 629 0.413 1.721 0.306 678 HD13 LEU 629 HD13 LEU 629 -0.701 2.809 1.140 679 HD21 LEU 629 HD21 LEU 629 -1.795 2.093 3.197 680 HD22 LEU 629 HD22 LEU 629 -1.640 0.430 3.779 681 HD23 LEU 629 HD23 LEU 629 -2.496 0.774 2.273 682 H GLU 630 HN GLU 630 2.309 -1.815 1.572 683 HA GLU 630 HA GLU 630 1.776 -4.109 0.040 684 HB2 GLU 630 HB2 GLU 630 3.640 -2.353 -0.326 685 HB3 GLU 630 HB1 GLU 630 4.544 -3.274 0.859 686 HG2 GLU 630 HG2 GLU 630 4.147 -5.309 -0.567 687 HG3 GLU 630 HG1 GLU 630 3.571 -4.211 -1.811 688 H ARG 631 HN ARG 631 3.500 -3.631 3.033 689 HA ARG 631 HA ARG 631 4.572 -6.184 3.471 690 HB2 ARG 631 HB2 ARG 631 5.241 -4.082 4.546 691 HB3 ARG 631 HB1 ARG 631 3.707 -4.019 5.370 692 HG2 ARG 631 HG2 ARG 631 4.322 -5.947 6.689 693 HG3 ARG 631 HG1 ARG 631 5.859 -6.070 5.810 694 HD2 ARG 631 HD2 ARG 631 6.437 -3.802 6.501 695 HD3 ARG 631 HD1 ARG 631 4.922 -3.675 7.376 696 HE ARG 631 HE ARG 631 6.129 -5.854 8.422 697 HH11 ARG 631 HH11 ARG 631 7.166 -2.475 7.937 698 HH12 ARG 631 HH12 ARG 631 8.033 -2.385 9.372 699 HH21 ARG 631 HH21 ARG 631 7.384 -5.717 10.397 700 HH22 ARG 631 HH22 ARG 631 8.208 -4.283 10.800 701 H TYR 632 HN TYR 632 1.444 -4.831 4.190 702 HA TYR 632 HA TYR 632 0.700 -7.166 5.675 703 HB2 TYR 632 HB2 TYR 632 -0.392 -5.261 6.511 704 HB3 TYR 632 HB1 TYR 632 -0.880 -4.727 4.894 705 HD1 TYR 632 HD1 TYR 632 -2.931 -5.345 4.021 706 HD2 TYR 632 HD2 TYR 632 -1.466 -7.454 7.405 707 HE1 TYR 632 HE1 TYR 632 -5.013 -6.542 4.126 708 HE2 TYR 632 HE2 TYR 632 -3.590 -8.704 7.552 709 HH TYR 632 HH TYR 632 -6.004 -8.443 6.792 710 H VAL 633 HN VAL 633 -0.122 -5.801 2.487 711 HA VAL 633 HA VAL 633 -1.971 -7.787 1.884 712 HB VAL 633 HB VAL 633 -1.772 -7.161 -0.479 713 HG11 VAL 633 HG11 VAL 633 -1.630 -4.774 1.339 714 HG12 VAL 633 HG12 VAL 633 -3.084 -5.694 0.945 715 HG13 VAL 633 HG13 VAL 633 -2.246 -4.773 -0.310 716 HG21 VAL 633 HG21 VAL 633 -0.151 -5.405 -1.175 717 HG22 VAL 633 HG22 VAL 633 0.600 -6.937 -0.728 718 HG23 VAL 633 HG23 VAL 633 0.619 -5.586 0.409 719 H LYS 634 HN LYS 634 1.496 -7.732 1.508 720 HA LYS 634 HA LYS 634 1.649 -10.149 0.071 721 HB2 LYS 634 HB2 LYS 634 4.067 -9.984 0.406 722 HB3 LYS 634 HB1 LYS 634 3.383 -8.361 0.306 723 HG2 LYS 634 HG2 LYS 634 3.609 -8.011 2.614 724 HG3 LYS 634 HG1 LYS 634 4.096 -9.686 2.883 725 HD2 LYS 634 HD2 LYS 634 6.046 -8.194 2.883 726 HD3 LYS 634 HD1 LYS 634 6.110 -9.320 1.525 727 HE2 LYS 634 HE2 LYS 634 5.237 -7.569 0.044 728 HE3 LYS 634 HE1 LYS 634 5.188 -6.443 1.396 729 HZ1 LYS 634 HZ1 LYS 634 7.628 -7.699 0.254 730 HZ2 LYS 634 HZ2 LYS 634 7.607 -6.568 1.527 731 HZ3 LYS 634 HZ3 LYS 634 7.081 -6.135 -0.007 732 H SER 635 HN SER 635 1.675 -9.424 3.526 733 HA SER 635 HA SER 635 2.002 -12.136 4.379 734 HB2 SER 635 HB2 SER 635 0.851 -9.767 5.877 735 HB3 SER 635 HB1 SER 635 1.452 -11.266 6.589 736 HG SER 635 HG SER 635 2.844 -9.084 5.581 737 H CYS 636 HN CYS 636 -0.755 -10.204 3.513 738 HA CYS 636 HA CYS 636 -2.677 -11.965 4.654 739 HB2 CYS 636 HB2 CYS 636 -2.997 -9.511 4.221 740 HB3 CYS 636 HB1 CYS 636 -3.042 -9.873 2.504 741 HG CYS 636 HG CYS 636 -5.460 -9.691 4.530 742 H LEU 637 HN LEU 637 -1.428 -11.350 1.411 743 HA LEU 637 HA LEU 637 -2.879 -13.416 0.126 744 HB2 LEU 637 HB2 LEU 637 -0.405 -11.876 -0.565 745 HB3 LEU 637 HB1 LEU 637 -1.047 -13.093 -1.635 746 HG LEU 637 HG LEU 637 -2.589 -10.663 -0.732 747 HD11 LEU 637 HD11 LEU 637 -1.040 -11.135 -3.269 748 HD12 LEU 637 HD12 LEU 637 -0.652 -9.981 -1.983 749 HD13 LEU 637 HD13 LEU 637 -2.104 -9.763 -2.946 750 HD21 LEU 637 HD21 LEU 637 -3.061 -12.659 -2.947 751 HD22 LEU 637 HD22 LEU 637 -4.029 -11.219 -2.637 752 HD23 LEU 637 HD23 LEU 637 -3.993 -12.524 -1.454 753 H GLN 638 HN GLN 638 0.041 -13.236 1.937 754 HA GLN 638 HA GLN 638 1.661 -14.576 2.475 755 HB2 GLN 638 HB2 GLN 638 -0.698 -16.167 2.419 756 HB3 GLN 638 HB1 GLN 638 0.788 -17.160 2.517 757 HG2 GLN 638 HG2 GLN 638 -0.239 -15.005 4.373 758 HG3 GLN 638 HG1 GLN 638 -0.138 -16.733 4.716 759 HE21 GLN 638 HE21 GLN 638 1.863 -17.645 5.009 760 HE22 GLN 638 HE22 GLN 638 3.257 -16.725 5.461 761 H LYS 639 HN LYS 639 2.932 -14.114 0.917 762 HA LYS 639 HA LYS 639 2.936 -15.340 -1.649 763 HB2 LYS 639 HB2 LYS 639 5.242 -13.979 -0.240 764 HB3 LYS 639 HB1 LYS 639 5.079 -14.239 -1.966 765 HG2 LYS 639 HG2 LYS 639 3.403 -12.394 -0.255 766 HG3 LYS 639 HG1 LYS 639 4.633 -11.919 -1.421 767 HD2 LYS 639 HD2 LYS 639 2.048 -13.348 -2.078 768 HD3 LYS 639 HD1 LYS 639 2.348 -11.628 -2.292 769 HE2 LYS 639 HE2 LYS 639 3.850 -13.852 -3.678 770 HE3 LYS 639 HE1 LYS 639 2.559 -12.894 -4.386 771 HZ1 LYS 639 HZ1 LYS 639 3.970 -10.903 -4.069 772 HZ2 LYS 639 HZ2 LYS 639 4.623 -12.034 -5.100 773 HZ3 LYS 639 HZ3 LYS 639 5.249 -11.892 -3.553 774 H LYS 640 HN LYS 640 4.391 -16.005 1.406 775 HA LYS 640 HA LYS 640 5.261 -18.598 0.472 776 HB2 LYS 640 HB2 LYS 640 7.444 -18.314 1.672 777 HB3 LYS 640 HB1 LYS 640 7.279 -17.288 0.254 778 HG2 LYS 640 HG2 LYS 640 6.711 -15.391 1.689 779 HG3 LYS 640 HG1 LYS 640 6.874 -16.419 3.111 780 HD2 LYS 640 HD2 LYS 640 9.228 -16.762 2.602 781 HD3 LYS 640 HD1 LYS 640 9.052 -15.798 1.133 782 HE2 LYS 640 HE2 LYS 640 8.450 -13.849 2.467 783 HE3 LYS 640 HE1 LYS 640 8.590 -14.797 3.943 784 HZ1 LYS 640 HZ1 LYS 640 10.798 -14.243 2.046 785 HZ2 LYS 640 HZ2 LYS 640 10.923 -15.118 3.476 786 HZ3 LYS 640 HZ3 LYS 640 10.568 -13.471 3.526 787 H GLN 641 HN GLN 641 5.026 -20.129 2.032 788 HA GLN 641 HA GLN 641 3.700 -19.313 4.487 789 HB2 GLN 641 HB2 GLN 641 4.128 -22.004 3.205 790 HB3 GLN 641 HB1 GLN 641 3.452 -21.820 4.812 791 HG2 GLN 641 HG2 GLN 641 2.275 -20.672 2.295 792 HG3 GLN 641 HG1 GLN 641 1.734 -22.145 3.095 793 HE21 GLN 641 HE21 GLN 641 0.725 -21.978 5.100 794 HE22 GLN 641 HE22 GLN 641 -0.021 -20.517 5.638 795 H ARG 642 HN ARG 642 4.610 -19.371 6.416 796 HA ARG 642 HA ARG 642 7.421 -20.052 6.517 797 HB2 ARG 642 HB2 ARG 642 6.600 -17.905 7.494 798 HB3 ARG 642 HB1 ARG 642 5.659 -18.824 8.652 799 HG2 ARG 642 HG2 ARG 642 7.757 -17.939 9.606 800 HG3 ARG 642 HG1 ARG 642 7.671 -19.697 9.669 801 HD2 ARG 642 HD2 ARG 642 9.120 -19.895 7.761 802 HD3 ARG 642 HD1 ARG 642 9.103 -18.151 7.507 803 HE ARG 642 HE ARG 642 10.124 -18.164 9.861 804 HH11 ARG 642 HH11 ARG 642 10.805 -20.662 7.405 805 HH12 ARG 642 HH12 ARG 642 12.417 -20.864 7.854 806 HH21 ARG 642 HH21 ARG 642 12.374 -18.453 10.461 807 HH22 ARG 642 HH22 ARG 642 13.345 -19.574 9.633 808 H LYS 643 HN LYS 643 4.335 -21.172 7.599 809 HA LYS 643 HA LYS 643 5.678 -23.483 8.782 810 HB2 LYS 643 HB2 LYS 643 3.018 -22.275 9.543 811 HB3 LYS 643 HB1 LYS 643 3.593 -23.829 10.122 812 HG2 LYS 643 HG2 LYS 643 5.525 -22.680 11.156 813 HG3 LYS 643 HG1 LYS 643 4.834 -21.137 10.649 814 HD2 LYS 643 HD2 LYS 643 2.849 -21.572 11.957 815 HD3 LYS 643 HD1 LYS 643 3.465 -23.158 12.417 816 HE2 LYS 643 HE2 LYS 643 3.815 -21.637 14.235 817 HE3 LYS 643 HE1 LYS 643 5.374 -22.022 13.521 818 HZ1 LYS 643 HZ1 LYS 643 3.811 -19.551 12.999 819 HZ2 LYS 643 HZ2 LYS 643 5.346 -19.867 12.391 820 HZ3 LYS 643 HZ3 LYS 643 5.116 -19.655 14.038 821 HA PRO 644 HA PRO 644 3.343 -25.254 5.354 822 HB2 PRO 644 HB2 PRO 644 5.493 -26.979 4.745 823 HB3 PRO 644 HB1 PRO 644 5.070 -25.487 3.907 824 HG2 PRO 644 HG2 PRO 644 7.397 -25.911 5.415 825 HG3 PRO 644 HG1 PRO 644 6.772 -24.343 4.879 826 HD2 PRO 644 HD2 PRO 644 6.515 -25.687 7.528 827 HD3 PRO 644 HD1 PRO 644 6.687 -23.960 7.133 Start of MODEL 10 1 H1 LYS 290 HT1 LYS 290 -9.629 13.612 -14.285 2 H2 LYS 290 HT2 LYS 290 -8.272 13.695 -13.259 3 H3 LYS 290 HT3 LYS 290 -9.017 12.225 -13.561 4 HA LYS 290 HA LYS 290 -8.379 12.182 -15.768 5 HB2 LYS 290 HB2 LYS 290 -6.900 13.908 -16.719 6 HB3 LYS 290 HB1 LYS 290 -8.440 14.605 -16.252 7 HG2 LYS 290 HG2 LYS 290 -7.420 15.549 -14.250 8 HG3 LYS 290 HG1 LYS 290 -5.880 14.794 -14.665 9 HD2 LYS 290 HD2 LYS 290 -5.811 16.123 -16.732 10 HD3 LYS 290 HD1 LYS 290 -7.346 16.867 -16.291 11 HE2 LYS 290 HE2 LYS 290 -5.496 18.342 -15.742 12 HE3 LYS 290 HE1 LYS 290 -6.319 17.812 -14.279 13 HZ1 LYS 290 HZ1 LYS 290 -3.933 17.753 -14.009 14 HZ2 LYS 290 HZ2 LYS 290 -3.759 16.723 -15.328 15 HZ3 LYS 290 HZ3 LYS 290 -4.533 16.186 -13.937 16 H VAL 291 HN VAL 291 -6.591 10.998 -16.167 17 HA VAL 291 HA VAL 291 -4.701 9.848 -15.859 18 HB VAL 291 HB VAL 291 -3.840 12.061 -13.964 19 HG11 VAL 291 HG11 VAL 291 -2.535 10.037 -13.600 20 HG12 VAL 291 HG12 VAL 291 -1.545 11.274 -14.376 21 HG13 VAL 291 HG13 VAL 291 -2.186 9.931 -15.325 22 HG21 VAL 291 HG21 VAL 291 -3.249 11.666 -16.897 23 HG22 VAL 291 HG22 VAL 291 -2.554 12.926 -15.872 24 HG23 VAL 291 HG23 VAL 291 -4.287 12.911 -16.202 25 H ALA 292 HN ALA 292 -5.342 11.188 -12.655 26 HA ALA 292 HA ALA 292 -5.368 10.329 -10.574 27 HB1 ALA 292 HB1 ALA 292 -7.480 9.300 -11.351 28 HB2 ALA 292 HB2 ALA 292 -6.654 8.272 -10.180 29 HB3 ALA 292 HB3 ALA 292 -6.580 7.884 -11.897 30 HA PRO 293 HA PRO 293 -1.374 8.255 -11.175 31 HB2 PRO 293 HB2 PRO 293 -0.564 9.809 -8.833 32 HB3 PRO 293 HB1 PRO 293 0.119 9.816 -10.459 33 HG2 PRO 293 HG2 PRO 293 -1.293 11.893 -9.485 34 HG3 PRO 293 HG1 PRO 293 -1.315 11.451 -11.200 35 HD2 PRO 293 HD2 PRO 293 -3.352 10.887 -9.074 36 HD3 PRO 293 HD1 PRO 293 -3.580 11.393 -10.761 37 H LEU 294 HN LEU 294 -2.587 6.461 -10.471 38 HA LEU 294 HA LEU 294 -2.962 4.648 -9.310 39 HB2 LEU 294 HB2 LEU 294 -0.484 4.721 -9.295 40 HB3 LEU 294 HB1 LEU 294 -0.563 5.435 -7.700 41 HG LEU 294 HG LEU 294 -1.560 3.387 -6.818 42 HD11 LEU 294 HD11 LEU 294 -1.661 1.389 -8.243 43 HD12 LEU 294 HD12 LEU 294 -1.264 2.375 -9.654 44 HD13 LEU 294 HD13 LEU 294 -2.781 2.634 -8.788 45 HD21 LEU 294 HD21 LEU 294 0.859 3.667 -6.867 46 HD22 LEU 294 HD22 LEU 294 0.915 2.911 -8.463 47 HD23 LEU 294 HD23 LEU 294 0.395 1.977 -7.059 48 H LYS 295 HN LYS 295 -4.896 5.310 -8.564 49 HA LYS 295 HA LYS 295 -5.066 5.409 -5.660 50 HB2 LYS 295 HB2 LYS 295 -5.405 7.736 -6.419 51 HB3 LYS 295 HB1 LYS 295 -6.661 7.209 -7.536 52 HG2 LYS 295 HG2 LYS 295 -8.014 6.474 -5.623 53 HG3 LYS 295 HG1 LYS 295 -6.766 7.025 -4.525 54 HD2 LYS 295 HD2 LYS 295 -8.241 8.840 -6.449 55 HD3 LYS 295 HD1 LYS 295 -8.747 8.565 -4.790 56 HE2 LYS 295 HE2 LYS 295 -7.564 10.577 -4.664 57 HE3 LYS 295 HE1 LYS 295 -6.379 9.384 -4.160 58 HZ1 LYS 295 HZ1 LYS 295 -5.386 10.928 -5.636 59 HZ2 LYS 295 HZ2 LYS 295 -6.561 10.712 -6.809 60 HZ3 LYS 295 HZ3 LYS 295 -5.469 9.470 -6.463 61 H ILE 296 HN ILE 296 -6.370 3.819 -5.023 62 HA ILE 296 HA ILE 296 -7.710 2.315 -7.092 63 HB ILE 296 HB ILE 296 -7.458 1.634 -4.150 64 HG12 ILE 296 HG12 ILE 296 -5.918 0.690 -6.585 65 HG13 ILE 296 HG11 ILE 296 -5.310 1.720 -5.293 66 HG21 ILE 296 HG21 ILE 296 -8.385 -0.070 -6.479 67 HG22 ILE 296 HG22 ILE 296 -9.405 0.533 -5.174 68 HG23 ILE 296 HG23 ILE 296 -8.132 -0.643 -4.831 69 HD11 ILE 296 HD11 ILE 296 -4.511 -0.579 -5.116 70 HD12 ILE 296 HD12 ILE 296 -6.174 -1.147 -4.975 71 HD13 ILE 296 HD13 ILE 296 -5.482 -0.125 -3.720 72 H LYS 297 HN LYS 297 -8.878 3.312 -3.855 73 HA LYS 297 HA LYS 297 -10.903 3.894 -3.056 74 HB2 LYS 297 HB2 LYS 297 -11.444 4.584 -5.937 75 HB3 LYS 297 HB1 LYS 297 -12.706 4.680 -4.735 76 HG2 LYS 297 HG2 LYS 297 -11.450 6.410 -3.550 77 HG3 LYS 297 HG1 LYS 297 -10.144 6.279 -4.744 78 HD2 LYS 297 HD2 LYS 297 -11.548 7.027 -6.506 79 HD3 LYS 297 HD1 LYS 297 -12.994 6.843 -5.527 80 HE2 LYS 297 HE2 LYS 297 -10.809 8.879 -5.066 81 HE3 LYS 297 HE1 LYS 297 -12.344 9.201 -5.863 82 HZ1 LYS 297 HZ1 LYS 297 -13.299 8.275 -3.594 83 HZ2 LYS 297 HZ2 LYS 297 -12.813 9.862 -3.794 84 HZ3 LYS 297 HZ3 LYS 297 -11.795 8.838 -2.999 85 H LEU 298 HN LEU 298 -11.825 2.143 -2.200 86 HA LEU 298 HA LEU 298 -12.797 0.007 -3.831 87 HB2 LEU 298 HB2 LEU 298 -13.294 0.620 -0.920 88 HB3 LEU 298 HB1 LEU 298 -13.974 -0.773 -1.730 89 HG LEU 298 HG LEU 298 -11.068 -0.231 -1.117 90 HD11 LEU 298 HD11 LEU 298 -12.961 -2.353 -0.174 91 HD12 LEU 298 HD12 LEU 298 -12.416 -0.949 0.743 92 HD13 LEU 298 HD13 LEU 298 -11.261 -2.187 0.269 93 HD21 LEU 298 HD21 LEU 298 -10.596 -2.424 -2.118 94 HD22 LEU 298 HD22 LEU 298 -11.214 -1.304 -3.320 95 HD23 LEU 298 HD23 LEU 298 -12.275 -2.547 -2.650 96 H GLY 299 HN GLY 299 -14.690 -0.315 -4.679 97 HA2 GLY 299 HA2 GLY 299 -17.068 -0.092 -4.693 98 HA3 GLY 299 HA1 GLY 299 -16.870 1.543 -4.058 99 H GLY 300 HN GLY 300 -15.559 2.990 -5.452 100 HA2 GLY 300 HA2 GLY 300 -14.799 3.390 -7.743 101 HA3 GLY 300 HA1 GLY 300 -16.248 2.541 -8.279 102 H PHE 301 HN PHE 301 -17.650 3.811 -5.928 103 HA PHE 301 HA PHE 301 -17.731 6.593 -6.345 104 HB2 PHE 301 HB2 PHE 301 -20.022 6.736 -7.313 105 HB3 PHE 301 HB1 PHE 301 -18.874 6.024 -8.432 106 HD1 PHE 301 HD1 PHE 301 -18.980 3.584 -8.914 107 HD2 PHE 301 HD2 PHE 301 -21.912 5.531 -6.525 108 HE1 PHE 301 HE1 PHE 301 -20.508 1.688 -9.250 109 HE2 PHE 301 HE2 PHE 301 -23.436 3.641 -6.852 110 HZ PHE 301 HZ PHE 301 -22.738 1.713 -8.217 111 H ALA 557 HN ALA 557 11.768 20.863 17.893 112 HA ALA 557 HA ALA 557 13.703 20.979 16.218 113 HB1 ALA 557 HB1 ALA 557 13.643 23.438 16.150 114 HB2 ALA 557 HB2 ALA 557 15.214 22.832 16.674 115 HB3 ALA 557 HB3 ALA 557 14.079 23.479 17.858 116 H SER 558 HN SER 558 12.990 21.639 19.531 117 HA SER 558 HA SER 558 15.374 20.720 20.710 118 HB2 SER 558 HB2 SER 558 12.587 20.778 21.874 119 HB3 SER 558 HB1 SER 558 14.092 20.669 22.786 120 HG SER 558 HG SER 558 13.630 22.739 22.834 121 H ALA 559 HN ALA 559 12.467 19.039 19.637 122 HA ALA 559 HA ALA 559 13.596 16.556 20.649 123 HB1 ALA 559 HB1 ALA 559 11.380 15.586 20.282 124 HB2 ALA 559 HB2 ALA 559 10.809 17.117 19.628 125 HB3 ALA 559 HB3 ALA 559 11.285 17.005 21.323 126 H SER 560 HN SER 560 15.016 15.887 19.188 127 HA SER 560 HA SER 560 14.375 16.034 16.383 128 HB2 SER 560 HB2 SER 560 16.865 15.078 17.831 129 HB3 SER 560 HB1 SER 560 16.702 15.228 16.082 130 HG SER 560 HG SER 560 16.342 17.413 16.343 131 H TYR 561 HN TYR 561 13.205 14.530 15.570 132 HA TYR 561 HA TYR 561 12.950 12.002 16.944 133 HB2 TYR 561 HB2 TYR 561 11.459 13.058 14.541 134 HB3 TYR 561 HB1 TYR 561 11.045 11.626 15.476 135 HD1 TYR 561 HD1 TYR 561 10.907 12.223 18.134 136 HD2 TYR 561 HD2 TYR 561 10.134 14.900 14.934 137 HE1 TYR 561 HE1 TYR 561 9.483 13.581 19.623 138 HE2 TYR 561 HE2 TYR 561 8.727 16.272 16.409 139 HH TYR 561 HH TYR 561 8.678 15.925 19.764 140 H ASP 562 HN ASP 562 14.123 10.365 16.377 141 HA ASP 562 HA ASP 562 15.148 10.246 13.632 142 HB2 ASP 562 HB2 ASP 562 17.058 8.997 14.429 143 HB3 ASP 562 HB1 ASP 562 16.918 10.430 15.435 144 H SER 563 HN SER 563 15.158 8.122 12.682 145 HA SER 563 HA SER 563 13.736 6.080 14.021 146 HB2 SER 563 HB2 SER 563 12.666 7.323 11.461 147 HB3 SER 563 HB1 SER 563 12.106 5.805 12.161 148 HG SER 563 HG SER 563 11.784 7.152 14.103 149 H GLU 564 HN GLU 564 14.301 4.165 13.256 150 HA GLU 564 HA GLU 564 16.265 4.133 11.097 151 HB2 GLU 564 HB2 GLU 564 15.946 2.458 13.571 152 HB3 GLU 564 HB1 GLU 564 17.128 2.104 12.298 153 HG2 GLU 564 HG2 GLU 564 18.266 4.159 12.737 154 HG3 GLU 564 HG1 GLU 564 17.008 4.673 13.858 155 H GLU 565 HN GLU 565 16.243 1.359 10.680 156 HA GLU 565 HA GLU 565 15.156 -0.269 9.544 157 HB2 GLU 565 HB2 GLU 565 13.634 -0.242 11.598 158 HB3 GLU 565 HB1 GLU 565 12.606 0.899 10.756 159 HG2 GLU 565 HG2 GLU 565 12.147 -0.808 9.054 160 HG3 GLU 565 HG1 GLU 565 13.155 -1.946 9.952 161 H GLU 566 HN GLU 566 15.907 2.048 8.434 162 HA GLU 566 HA GLU 566 13.931 3.463 6.959 163 HB2 GLU 566 HB2 GLU 566 16.930 3.461 6.895 164 HB3 GLU 566 HB1 GLU 566 15.950 4.500 5.875 165 HG2 GLU 566 HG2 GLU 566 15.780 4.472 8.874 166 HG3 GLU 566 HG1 GLU 566 16.810 5.569 7.956 167 H GLU 567 HN GLU 567 13.584 0.888 6.299 168 HA GLU 567 HA GLU 567 14.271 0.912 3.444 169 HB2 GLU 567 HB2 GLU 567 14.734 -1.226 4.744 170 HB3 GLU 567 HB1 GLU 567 13.009 -1.351 5.042 171 HG2 GLU 567 HG2 GLU 567 12.595 -1.545 2.650 172 HG3 GLU 567 HG1 GLU 567 14.316 -1.372 2.331 173 H GLU 568 HN GLU 568 11.966 1.287 5.866 174 HA GLU 568 HA GLU 568 9.668 1.563 4.065 175 HB2 GLU 568 HB2 GLU 568 9.365 2.494 6.821 176 HB3 GLU 568 HB1 GLU 568 8.362 1.403 5.915 177 HG2 GLU 568 HG2 GLU 568 10.897 0.596 7.359 178 HG3 GLU 568 HG1 GLU 568 9.272 0.415 7.997 179 H GLY 569 HN GLY 569 12.156 3.196 4.229 180 HA2 GLY 569 HA2 GLY 569 10.966 5.839 4.694 181 HA3 GLY 569 HA1 GLY 569 12.551 5.443 5.364 182 H LEU 570 HN LEU 570 11.848 3.951 2.476 183 HA LEU 570 HA LEU 570 13.624 5.764 1.019 184 HB2 LEU 570 HB2 LEU 570 12.886 2.877 0.478 185 HB3 LEU 570 HB1 LEU 570 13.988 3.844 -0.473 186 HG LEU 570 HG LEU 570 14.444 2.963 2.374 187 HD11 LEU 570 HD11 LEU 570 15.669 2.028 -0.217 188 HD12 LEU 570 HD12 LEU 570 14.567 1.112 0.808 189 HD13 LEU 570 HD13 LEU 570 16.177 1.532 1.396 190 HD21 LEU 570 HD21 LEU 570 16.727 3.833 2.008 191 HD22 LEU 570 HD22 LEU 570 15.503 5.091 1.948 192 HD23 LEU 570 HD23 LEU 570 16.209 4.483 0.450 193 HA PRO 571 HA PRO 571 9.928 6.799 -1.227 194 HB2 PRO 571 HB2 PRO 571 11.095 7.465 -3.615 195 HB3 PRO 571 HB1 PRO 571 10.924 8.580 -2.255 196 HG2 PRO 571 HG2 PRO 571 13.317 7.025 -3.139 197 HG3 PRO 571 HG1 PRO 571 13.236 8.644 -2.426 198 HD2 PRO 571 HD2 PRO 571 13.988 6.456 -1.025 199 HD3 PRO 571 HD1 PRO 571 13.135 7.821 -0.277 200 H MET 572 HN MET 572 8.644 5.432 -2.133 201 HA MET 572 HA MET 572 9.728 2.972 -3.177 202 HB2 MET 572 HB2 MET 572 6.883 3.804 -2.622 203 HB3 MET 572 HB1 MET 572 7.353 2.229 -3.252 204 HG2 MET 572 HG2 MET 572 8.664 1.796 -1.253 205 HG3 MET 572 HG1 MET 572 8.262 3.389 -0.626 206 HE1 MET 572 HE1 MET 572 6.902 -0.160 -1.583 207 HE2 MET 572 HE2 MET 572 5.810 0.873 -2.515 208 HE3 MET 572 HE3 MET 572 5.208 -0.030 -1.125 209 H SER 573 HN SER 573 9.477 2.141 -5.092 210 HA SER 573 HA SER 573 9.473 4.111 -7.164 211 HB2 SER 573 HB2 SER 573 11.140 2.292 -7.104 212 HB3 SER 573 HB1 SER 573 9.850 1.104 -7.227 213 HG SER 573 HG SER 573 10.147 1.262 -9.231 214 H TYR 574 HN TYR 574 8.165 3.787 -9.114 215 HA TYR 574 HA TYR 574 5.457 3.646 -8.512 216 HB2 TYR 574 HB2 TYR 574 6.164 4.875 -10.470 217 HB3 TYR 574 HB1 TYR 574 6.841 3.419 -11.193 218 HD1 TYR 574 HD1 TYR 574 3.570 4.648 -9.847 219 HD2 TYR 574 HD2 TYR 574 5.593 2.362 -12.813 220 HE1 TYR 574 HE1 TYR 574 1.423 4.174 -10.942 221 HE2 TYR 574 HE2 TYR 574 3.453 1.885 -13.911 222 HH TYR 574 HH TYR 574 1.156 1.837 -13.471 223 H ASP 575 HN ASP 575 7.660 1.207 -9.675 224 HA ASP 575 HA ASP 575 5.678 -0.748 -10.226 225 HB2 ASP 575 HB2 ASP 575 7.488 -2.397 -10.296 226 HB3 ASP 575 HB1 ASP 575 7.944 -0.944 -11.174 227 H GLU 576 HN GLU 576 7.544 -0.012 -7.284 228 HA GLU 576 HA GLU 576 6.759 -2.179 -5.781 229 HB2 GLU 576 HB2 GLU 576 7.388 0.634 -4.935 230 HB3 GLU 576 HB1 GLU 576 7.280 -0.723 -3.827 231 HG2 GLU 576 HG2 GLU 576 9.084 -1.824 -5.151 232 HG3 GLU 576 HG1 GLU 576 9.240 -0.333 -6.052 233 H LYS 577 HN LYS 577 5.419 1.046 -6.020 234 HA LYS 577 HA LYS 577 3.183 0.668 -4.337 235 HB2 LYS 577 HB2 LYS 577 3.699 2.604 -6.538 236 HB3 LYS 577 HB1 LYS 577 2.348 2.768 -5.418 237 HG2 LYS 577 HG2 LYS 577 3.984 2.898 -3.528 238 HG3 LYS 577 HG1 LYS 577 5.289 2.881 -4.703 239 HD2 LYS 577 HD2 LYS 577 3.132 5.011 -4.590 240 HD3 LYS 577 HD1 LYS 577 4.708 5.150 -3.825 241 HE2 LYS 577 HE2 LYS 577 5.776 4.930 -6.031 242 HE3 LYS 577 HE1 LYS 577 4.187 4.839 -6.781 243 HZ1 LYS 577 HZ1 LYS 577 3.733 7.116 -6.173 244 HZ2 LYS 577 HZ2 LYS 577 5.284 7.099 -6.813 245 HZ3 LYS 577 HZ3 LYS 577 5.070 7.174 -5.161 246 H ARG 578 HN ARG 578 3.532 0.519 -7.845 247 HA ARG 578 HA ARG 578 0.831 0.121 -8.456 248 HB2 ARG 578 HB2 ARG 578 2.617 0.664 -10.133 249 HB3 ARG 578 HB1 ARG 578 3.158 -1.006 -10.023 250 HG2 ARG 578 HG2 ARG 578 1.797 -0.780 -11.969 251 HG3 ARG 578 HG1 ARG 578 0.906 -1.728 -10.772 252 HD2 ARG 578 HD2 ARG 578 -0.281 0.349 -10.078 253 HD3 ARG 578 HD1 ARG 578 0.535 1.206 -11.382 254 HE ARG 578 HE ARG 578 -1.042 -1.121 -12.081 255 HH11 ARG 578 HH11 ARG 578 -0.701 2.426 -12.217 256 HH12 ARG 578 HH12 ARG 578 -2.132 2.681 -13.059 257 HH21 ARG 578 HH21 ARG 578 -3.050 -0.753 -13.251 258 HH22 ARG 578 HH22 ARG 578 -3.501 0.827 -13.684 259 H GLN 579 HN GLN 579 3.383 -2.307 -7.851 260 HA GLN 579 HA GLN 579 1.732 -4.544 -8.287 261 HB2 GLN 579 HB2 GLN 579 4.350 -4.256 -8.121 262 HB3 GLN 579 HB1 GLN 579 4.090 -4.524 -6.410 263 HG2 GLN 579 HG2 GLN 579 3.220 -6.425 -8.556 264 HG3 GLN 579 HG1 GLN 579 4.790 -6.506 -7.768 265 HE21 GLN 579 HE21 GLN 579 1.401 -7.065 -7.459 266 HE22 GLN 579 HE22 GLN 579 1.421 -7.836 -5.916 267 H LEU 580 HN LEU 580 2.501 -2.589 -5.473 268 HA LEU 580 HA LEU 580 1.259 -4.045 -3.438 269 HB2 LEU 580 HB2 LEU 580 2.786 -1.987 -3.412 270 HB3 LEU 580 HB1 LEU 580 1.359 -1.053 -3.739 271 HG LEU 580 HG LEU 580 1.859 -2.674 -1.243 272 HD11 LEU 580 HD11 LEU 580 2.070 0.280 -1.783 273 HD12 LEU 580 HD12 LEU 580 3.377 -0.839 -1.490 274 HD13 LEU 580 HD13 LEU 580 2.222 -0.489 -0.198 275 HD21 LEU 580 HD21 LEU 580 -0.059 -1.409 -0.316 276 HD22 LEU 580 HD22 LEU 580 -0.534 -2.428 -1.668 277 HD23 LEU 580 HD23 LEU 580 -0.360 -0.699 -1.904 278 H SER 581 HN SER 581 -0.012 -1.748 -5.813 279 HA SER 581 HA SER 581 -2.600 -1.464 -4.719 280 HB2 SER 581 HB2 SER 581 -1.692 -1.128 -7.577 281 HB3 SER 581 HB1 SER 581 -3.127 -0.412 -6.840 282 HG SER 581 HG SER 581 -0.511 0.082 -5.845 283 H LEU 582 HN LEU 582 -1.104 -3.642 -7.007 284 HA LEU 582 HA LEU 582 -3.453 -4.902 -7.966 285 HB2 LEU 582 HB2 LEU 582 -0.659 -6.021 -7.766 286 HB3 LEU 582 HB1 LEU 582 -1.948 -6.647 -8.771 287 HG LEU 582 HG LEU 582 -0.595 -3.976 -9.100 288 HD11 LEU 582 HD11 LEU 582 -0.417 -6.495 -10.754 289 HD12 LEU 582 HD12 LEU 582 0.844 -5.857 -9.705 290 HD13 LEU 582 HD13 LEU 582 0.349 -4.954 -11.137 291 HD21 LEU 582 HD21 LEU 582 -1.841 -3.850 -11.213 292 HD22 LEU 582 HD22 LEU 582 -2.914 -3.871 -9.814 293 HD23 LEU 582 HD23 LEU 582 -2.705 -5.328 -10.787 294 H ASP 583 HN ASP 583 -1.254 -5.487 -5.314 295 HA ASP 583 HA ASP 583 -2.430 -7.925 -4.516 296 HB2 ASP 583 HB2 ASP 583 -0.778 -6.011 -2.882 297 HB3 ASP 583 HB1 ASP 583 -1.248 -7.638 -2.394 298 H ILE 584 HN ILE 584 -3.048 -4.614 -3.596 299 HA ILE 584 HA ILE 584 -4.964 -5.277 -1.619 300 HB ILE 584 HB ILE 584 -4.610 -2.769 -3.267 301 HG12 ILE 584 HG12 ILE 584 -3.887 -3.526 -0.447 302 HG13 ILE 584 HG11 ILE 584 -2.800 -3.129 -1.772 303 HG21 ILE 584 HG21 ILE 584 -6.969 -2.932 -2.595 304 HG22 ILE 584 HG22 ILE 584 -6.138 -1.615 -1.769 305 HG23 ILE 584 HG23 ILE 584 -6.456 -3.123 -0.915 306 HD11 ILE 584 HD11 ILE 584 -4.691 -1.302 -0.380 307 HD12 ILE 584 HD12 ILE 584 -3.643 -0.826 -1.727 308 HD13 ILE 584 HD13 ILE 584 -2.936 -1.317 -0.172 309 H ASN 585 HN ASN 585 -5.148 -4.771 -5.053 310 HA ASN 585 HA ASN 585 -7.954 -5.020 -5.379 311 HB2 ASN 585 HB2 ASN 585 -6.474 -4.123 -7.131 312 HB3 ASN 585 HB1 ASN 585 -5.670 -5.675 -7.264 313 HD21 ASN 585 HD21 ASN 585 -6.115 -5.809 -9.440 314 HD22 ASN 585 HD22 ASN 585 -7.690 -6.120 -10.056 315 H ARG 586 HN ARG 586 -5.387 -7.293 -4.978 316 HA ARG 586 HA ARG 586 -6.854 -9.656 -5.628 317 HB2 ARG 586 HB2 ARG 586 -4.246 -9.122 -4.253 318 HB3 ARG 586 HB1 ARG 586 -4.862 -10.754 -4.393 319 HG2 ARG 586 HG2 ARG 586 -4.768 -10.608 -6.821 320 HG3 ARG 586 HG1 ARG 586 -4.364 -8.897 -6.735 321 HD2 ARG 586 HD2 ARG 586 -2.200 -9.446 -5.727 322 HD3 ARG 586 HD1 ARG 586 -2.636 -11.152 -5.695 323 HE ARG 586 HE ARG 586 -2.877 -10.687 -8.245 324 HH11 ARG 586 HH11 ARG 586 -0.253 -9.387 -6.169 325 HH12 ARG 586 HH12 ARG 586 0.927 -9.585 -7.367 326 HH21 ARG 586 HH21 ARG 586 -1.194 -10.936 -9.838 327 HH22 ARG 586 HH22 ARG 586 0.397 -10.445 -9.515 328 H LEU 587 HN LEU 587 -6.339 -7.773 -2.735 329 HA LEU 587 HA LEU 587 -7.078 -9.757 -0.869 330 HB2 LEU 587 HB2 LEU 587 -7.133 -6.767 -0.589 331 HB3 LEU 587 HB1 LEU 587 -7.383 -7.895 0.720 332 HG LEU 587 HG LEU 587 -4.861 -7.402 -0.825 333 HD11 LEU 587 HD11 LEU 587 -5.652 -7.032 2.039 334 HD12 LEU 587 HD12 LEU 587 -5.259 -5.770 0.866 335 HD13 LEU 587 HD13 LEU 587 -4.011 -6.886 1.438 336 HD21 LEU 587 HD21 LEU 587 -5.446 -9.553 1.209 337 HD22 LEU 587 HD22 LEU 587 -3.838 -9.091 0.664 338 HD23 LEU 587 HD23 LEU 587 -4.988 -9.765 -0.488 339 HA PRO 588 HA PRO 588 -11.516 -9.447 -1.102 340 HB2 PRO 588 HB2 PRO 588 -12.070 -10.934 1.095 341 HB3 PRO 588 HB1 PRO 588 -11.561 -11.668 -0.431 342 HG2 PRO 588 HG2 PRO 588 -9.978 -11.114 2.030 343 HG3 PRO 588 HG1 PRO 588 -9.928 -12.527 0.962 344 HD2 PRO 588 HD2 PRO 588 -8.104 -10.491 0.886 345 HD3 PRO 588 HD1 PRO 588 -8.509 -11.502 -0.515 346 H GLY 589 HN GLY 589 -13.208 -8.535 0.242 347 HA2 GLY 589 HA2 GLY 589 -12.528 -6.077 1.351 348 HA3 GLY 589 HA1 GLY 589 -14.080 -6.855 1.510 349 H GLU 590 HN GLU 590 -13.070 -9.113 3.016 350 HA GLU 590 HA GLU 590 -13.268 -8.090 5.626 351 HB2 GLU 590 HB2 GLU 590 -13.815 -10.428 4.945 352 HB3 GLU 590 HB1 GLU 590 -12.093 -10.732 4.764 353 HG2 GLU 590 HG2 GLU 590 -12.848 -11.597 6.868 354 HG3 GLU 590 HG1 GLU 590 -11.782 -10.221 7.148 355 H LYS 591 HN LYS 591 -10.531 -9.069 3.686 356 HA LYS 591 HA LYS 591 -8.681 -8.660 5.849 357 HB2 LYS 591 HB2 LYS 591 -8.183 -9.347 2.965 358 HB3 LYS 591 HB1 LYS 591 -6.973 -9.355 4.249 359 HG2 LYS 591 HG2 LYS 591 -8.362 -11.036 5.458 360 HG3 LYS 591 HG1 LYS 591 -9.399 -11.134 4.037 361 HD2 LYS 591 HD2 LYS 591 -7.374 -11.687 2.716 362 HD3 LYS 591 HD1 LYS 591 -6.493 -11.729 4.246 363 HE2 LYS 591 HE2 LYS 591 -8.829 -13.502 3.504 364 HE3 LYS 591 HE1 LYS 591 -7.141 -14.002 3.515 365 HZ1 LYS 591 HZ1 LYS 591 -8.179 -14.738 5.508 366 HZ2 LYS 591 HZ2 LYS 591 -8.804 -13.224 5.850 367 HZ3 LYS 591 HZ3 LYS 591 -7.144 -13.481 5.939 368 H LEU 592 HN LEU 592 -9.923 -6.942 3.139 369 HA LEU 592 HA LEU 592 -8.036 -4.908 2.916 370 HB2 LEU 592 HB2 LEU 592 -10.900 -5.231 2.239 371 HB3 LEU 592 HB1 LEU 592 -10.263 -3.600 2.246 372 HG LEU 592 HG LEU 592 -8.789 -5.685 0.669 373 HD11 LEU 592 HD11 LEU 592 -11.287 -4.213 -0.225 374 HD12 LEU 592 HD12 LEU 592 -11.102 -5.967 -0.085 375 HD13 LEU 592 HD13 LEU 592 -10.178 -5.074 -1.284 376 HD21 LEU 592 HD21 LEU 592 -9.290 -2.745 0.402 377 HD22 LEU 592 HD22 LEU 592 -8.380 -3.738 -0.726 378 HD23 LEU 592 HD23 LEU 592 -7.808 -3.540 0.937 379 H GLY 593 HN GLY 593 -10.239 -5.595 5.441 380 HA2 GLY 593 HA2 GLY 593 -10.832 -3.086 6.489 381 HA3 GLY 593 HA1 GLY 593 -10.732 -4.574 7.424 382 H ARG 594 HN ARG 594 -7.900 -5.023 6.843 383 HA ARG 594 HA ARG 594 -6.862 -3.304 8.865 384 HB2 ARG 594 HB2 ARG 594 -5.966 -5.467 8.931 385 HB3 ARG 594 HB1 ARG 594 -5.558 -5.485 7.229 386 HG2 ARG 594 HG2 ARG 594 -3.563 -5.280 8.643 387 HG3 ARG 594 HG1 ARG 594 -3.784 -3.864 7.615 388 HD2 ARG 594 HD2 ARG 594 -4.810 -2.683 9.446 389 HD3 ARG 594 HD1 ARG 594 -4.613 -4.096 10.469 390 HE ARG 594 HE ARG 594 -2.118 -3.211 9.366 391 HH11 ARG 594 HH11 ARG 594 -4.353 -2.550 12.015 392 HH12 ARG 594 HH12 ARG 594 -3.298 -1.504 12.859 393 HH21 ARG 594 HH21 ARG 594 -0.627 -1.726 10.496 394 HH22 ARG 594 HH22 ARG 594 -1.138 -1.033 11.949 395 H VAL 595 HN VAL 595 -6.383 -3.570 5.379 396 HA VAL 595 HA VAL 595 -4.330 -1.668 5.415 397 HB VAL 595 HB VAL 595 -4.602 -3.322 3.573 398 HG11 VAL 595 HG11 VAL 595 -6.039 -2.846 1.690 399 HG12 VAL 595 HG12 VAL 595 -6.774 -1.516 2.589 400 HG13 VAL 595 HG13 VAL 595 -6.957 -3.173 3.163 401 HG21 VAL 595 HG21 VAL 595 -4.387 -0.458 2.702 402 HG22 VAL 595 HG22 VAL 595 -3.869 -1.864 1.765 403 HG23 VAL 595 HG23 VAL 595 -3.085 -1.490 3.299 404 H VAL 596 HN VAL 596 -7.801 -1.326 5.139 405 HA VAL 596 HA VAL 596 -7.853 1.416 4.452 406 HB VAL 596 HB VAL 596 -9.824 0.128 6.381 407 HG11 VAL 596 HG11 VAL 596 -11.415 1.734 5.471 408 HG12 VAL 596 HG12 VAL 596 -10.186 2.329 4.373 409 HG13 VAL 596 HG13 VAL 596 -9.993 2.571 6.119 410 HG21 VAL 596 HG21 VAL 596 -9.964 0.077 3.359 411 HG22 VAL 596 HG22 VAL 596 -11.217 -0.482 4.463 412 HG23 VAL 596 HG23 VAL 596 -9.663 -1.307 4.404 413 H HIS 597 HN HIS 597 -7.414 -0.208 7.593 414 HA HIS 597 HA HIS 597 -7.561 2.152 9.114 415 HB2 HIS 597 HB2 HIS 597 -8.048 -0.133 9.969 416 HB3 HIS 597 HB1 HIS 597 -6.351 -0.544 9.780 417 HD1 HIS 597 HD1 HIS 597 -8.680 1.436 11.885 418 HD2 HIS 597 HD2 HIS 597 -4.679 0.387 11.797 419 HE1 HIS 597 HE1 HIS 597 -7.735 2.090 14.156 420 H ILE 598 HN ILE 598 -5.036 0.492 7.380 421 HA ILE 598 HA ILE 598 -2.822 1.590 8.738 422 HB ILE 598 HB ILE 598 -2.950 0.669 5.850 423 HG12 ILE 598 HG12 ILE 598 -2.128 -0.863 8.327 424 HG13 ILE 598 HG11 ILE 598 -3.645 -1.067 7.463 425 HG21 ILE 598 HG21 ILE 598 -0.509 0.336 6.119 426 HG22 ILE 598 HG22 ILE 598 -0.607 1.003 7.748 427 HG23 ILE 598 HG23 ILE 598 -0.956 2.029 6.351 428 HD11 ILE 598 HD11 ILE 598 -2.129 -2.832 6.863 429 HD12 ILE 598 HD12 ILE 598 -0.882 -1.665 6.435 430 HD13 ILE 598 HD13 ILE 598 -2.344 -1.779 5.462 431 H ILE 599 HN ILE 599 -4.652 2.720 5.887 432 HA ILE 599 HA ILE 599 -3.042 5.028 5.546 433 HB ILE 599 HB ILE 599 -5.948 4.597 4.711 434 HG12 ILE 599 HG12 ILE 599 -4.956 4.820 2.368 435 HG13 ILE 599 HG11 ILE 599 -3.379 4.682 3.122 436 HG21 ILE 599 HG21 ILE 599 -4.231 6.987 4.132 437 HG22 ILE 599 HG22 ILE 599 -5.665 6.949 5.149 438 HG23 ILE 599 HG23 ILE 599 -5.809 6.674 3.405 439 HD11 ILE 599 HD11 ILE 599 -5.556 2.651 3.273 440 HD12 ILE 599 HD12 ILE 599 -3.903 2.463 3.871 441 HD13 ILE 599 HD13 ILE 599 -4.217 2.605 2.133 442 H GLN 600 HN GLN 600 -5.953 4.380 7.420 443 HA GLN 600 HA GLN 600 -6.481 6.941 8.377 444 HB2 GLN 600 HB2 GLN 600 -6.906 4.367 9.867 445 HB3 GLN 600 HB1 GLN 600 -7.718 5.901 10.157 446 HG2 GLN 600 HG2 GLN 600 -8.471 5.751 7.787 447 HG3 GLN 600 HG1 GLN 600 -7.958 4.074 7.827 448 HE21 GLN 600 HE21 GLN 600 -10.228 6.365 8.956 449 HE22 GLN 600 HE22 GLN 600 -11.333 5.242 9.671 450 H SER 601 HN SER 601 -4.149 4.617 9.408 451 HA SER 601 HA SER 601 -3.540 5.547 11.961 452 HB2 SER 601 HB2 SER 601 -1.780 4.330 9.879 453 HB3 SER 601 HB1 SER 601 -1.380 4.403 11.603 454 HG SER 601 HG SER 601 -3.790 3.203 10.683 455 H ARG 602 HN ARG 602 -2.554 6.676 8.809 456 HA ARG 602 HA ARG 602 -0.782 8.686 10.009 457 HB2 ARG 602 HB2 ARG 602 0.155 7.377 8.184 458 HB3 ARG 602 HB1 ARG 602 -1.202 7.817 7.159 459 HG2 ARG 602 HG2 ARG 602 -0.499 10.218 7.479 460 HG3 ARG 602 HG1 ARG 602 0.994 9.582 8.175 461 HD2 ARG 602 HD2 ARG 602 1.439 8.364 6.147 462 HD3 ARG 602 HD1 ARG 602 -0.079 8.926 5.451 463 HE ARG 602 HE ARG 602 2.027 10.777 6.271 464 HH11 ARG 602 HH11 ARG 602 -0.474 9.871 3.953 465 HH12 ARG 602 HH12 ARG 602 0.123 10.845 2.702 466 HH21 ARG 602 HH21 ARG 602 2.868 12.163 4.493 467 HH22 ARG 602 HH22 ARG 602 2.043 12.119 2.999 468 H GLU 603 HN GLU 603 -3.579 8.221 8.004 469 HA GLU 603 HA GLU 603 -3.866 11.085 7.470 470 HB2 GLU 603 HB2 GLU 603 -5.050 8.666 6.171 471 HB3 GLU 603 HB1 GLU 603 -5.434 10.303 5.693 472 HG2 GLU 603 HG2 GLU 603 -2.682 9.046 5.601 473 HG3 GLU 603 HG1 GLU 603 -3.765 9.194 4.223 474 HA PRO 604 HA PRO 604 -7.192 10.530 10.362 475 HB2 PRO 604 HB2 PRO 604 -7.202 12.970 11.436 476 HB3 PRO 604 HB1 PRO 604 -5.854 11.813 11.662 477 HG2 PRO 604 HG2 PRO 604 -5.983 14.105 9.738 478 HG3 PRO 604 HG1 PRO 604 -4.712 13.713 10.913 479 HD2 PRO 604 HD2 PRO 604 -4.661 12.936 8.276 480 HD3 PRO 604 HD1 PRO 604 -3.824 12.071 9.582 481 H SER 605 HN SER 605 -6.832 12.391 7.574 482 HA SER 605 HA SER 605 -9.457 13.520 7.459 483 HB2 SER 605 HB2 SER 605 -7.468 13.015 5.235 484 HB3 SER 605 HB1 SER 605 -8.827 14.148 5.199 485 HG SER 605 HG SER 605 -7.785 15.490 6.442 486 H LEU 606 HN LEU 606 -8.015 10.484 6.802 487 HA LEU 606 HA LEU 606 -10.037 9.504 5.042 488 HB2 LEU 606 HB2 LEU 606 -7.703 8.631 5.223 489 HB3 LEU 606 HB1 LEU 606 -8.047 7.996 6.800 490 HG LEU 606 HG LEU 606 -8.030 6.177 5.210 491 HD11 LEU 606 HD11 LEU 606 -10.080 5.103 5.577 492 HD12 LEU 606 HD12 LEU 606 -10.951 6.628 5.485 493 HD13 LEU 606 HD13 LEU 606 -9.972 6.303 6.897 494 HD21 LEU 606 HD21 LEU 606 -9.439 6.124 3.214 495 HD22 LEU 606 HD22 LEU 606 -8.303 7.474 3.181 496 HD23 LEU 606 HD23 LEU 606 -9.999 7.758 3.572 497 H ARG 607 HN ARG 607 -9.298 9.240 8.490 498 HA ARG 607 HA ARG 607 -11.510 7.838 9.456 499 HB2 ARG 607 HB2 ARG 607 -10.133 10.161 10.786 500 HB3 ARG 607 HB1 ARG 607 -11.074 8.917 11.586 501 HG2 ARG 607 HG2 ARG 607 -9.457 7.285 11.158 502 HG3 ARG 607 HG1 ARG 607 -8.551 8.314 10.052 503 HD2 ARG 607 HD2 ARG 607 -8.313 9.924 12.056 504 HD3 ARG 607 HD1 ARG 607 -8.968 8.635 13.047 505 HE ARG 607 HE ARG 607 -6.808 7.506 11.831 506 HH11 ARG 607 HH11 ARG 607 -7.308 10.363 13.879 507 HH12 ARG 607 HH12 ARG 607 -5.721 10.388 14.473 508 HH21 ARG 607 HH21 ARG 607 -4.641 7.564 12.626 509 HH22 ARG 607 HH22 ARG 607 -4.152 8.753 13.760 510 H ASP 608 HN ASP 608 -11.210 11.135 8.427 511 HA ASP 608 HA ASP 608 -13.643 12.189 9.453 512 HB2 ASP 608 HB2 ASP 608 -11.930 13.738 8.854 513 HB3 ASP 608 HB1 ASP 608 -11.753 13.032 7.258 514 H SER 609 HN SER 609 -12.814 10.297 6.703 515 HA SER 609 HA SER 609 -15.386 10.738 5.405 516 HB2 SER 609 HB2 SER 609 -12.949 9.184 4.495 517 HB3 SER 609 HB1 SER 609 -14.343 9.646 3.510 518 HG SER 609 HG SER 609 -12.283 11.274 4.559 519 H ASN 610 HN ASN 610 -16.055 8.406 4.331 520 HA ASN 610 HA ASN 610 -16.474 6.666 6.621 521 HB2 ASN 610 HB2 ASN 610 -17.622 6.550 3.814 522 HB3 ASN 610 HB1 ASN 610 -18.003 5.416 5.088 523 HD21 ASN 610 HD21 ASN 610 -18.179 7.380 7.205 524 HD22 ASN 610 HD22 ASN 610 -19.616 8.281 6.911 525 HA PRO 611 HA PRO 611 -13.140 4.060 5.328 526 HB2 PRO 611 HB2 PRO 611 -13.734 1.854 6.804 527 HB3 PRO 611 HB1 PRO 611 -13.060 3.327 7.513 528 HG2 PRO 611 HG2 PRO 611 -15.890 2.385 7.436 529 HG3 PRO 611 HG1 PRO 611 -15.001 3.130 8.777 530 HD2 PRO 611 HD2 PRO 611 -16.743 4.516 7.199 531 HD3 PRO 611 HD1 PRO 611 -15.329 5.270 7.958 532 H ASP 612 HN ASP 612 -16.338 3.542 4.613 533 HA ASP 612 HA ASP 612 -16.457 1.025 3.341 534 HB2 ASP 612 HB2 ASP 612 -18.371 2.660 3.807 535 HB3 ASP 612 HB1 ASP 612 -17.833 3.542 2.394 536 H GLU 613 HN GLU 613 -15.428 4.209 2.292 537 HA GLU 613 HA GLU 613 -14.276 3.026 -0.125 538 HB2 GLU 613 HB2 GLU 613 -15.759 4.859 -0.704 539 HB3 GLU 613 HB1 GLU 613 -15.014 5.895 0.503 540 HG2 GLU 613 HG2 GLU 613 -12.918 5.866 -0.768 541 HG3 GLU 613 HG1 GLU 613 -13.676 4.849 -1.987 542 H ILE 614 HN ILE 614 -12.266 2.514 0.261 543 HA ILE 614 HA ILE 614 -10.662 4.151 2.033 544 HB ILE 614 HB ILE 614 -10.422 1.725 2.251 545 HG12 ILE 614 HG12 ILE 614 -7.978 3.082 1.103 546 HG13 ILE 614 HG11 ILE 614 -8.437 2.975 2.795 547 HG21 ILE 614 HG21 ILE 614 -11.033 1.144 0.070 548 HG22 ILE 614 HG22 ILE 614 -9.477 0.361 0.461 549 HG23 ILE 614 HG23 ILE 614 -9.538 1.801 -0.593 550 HD11 ILE 614 HD11 ILE 614 -6.618 1.403 2.272 551 HD12 ILE 614 HD12 ILE 614 -7.627 0.671 1.039 552 HD13 ILE 614 HD13 ILE 614 -8.087 0.536 2.725 553 H GLU 615 HN GLU 615 -9.691 5.785 1.241 554 HA GLU 615 HA GLU 615 -9.164 5.841 -1.609 555 HB2 GLU 615 HB2 GLU 615 -10.421 7.751 -0.606 556 HB3 GLU 615 HB1 GLU 615 -8.998 8.134 0.351 557 HG2 GLU 615 HG2 GLU 615 -7.743 8.693 -1.585 558 HG3 GLU 615 HG1 GLU 615 -8.984 8.033 -2.647 559 H ILE 616 HN ILE 616 -7.401 4.842 -1.970 560 HA ILE 616 HA ILE 616 -5.104 5.205 -0.205 561 HB ILE 616 HB ILE 616 -5.151 3.348 -2.584 562 HG12 ILE 616 HG12 ILE 616 -6.135 2.588 0.159 563 HG13 ILE 616 HG11 ILE 616 -7.231 3.002 -1.158 564 HG21 ILE 616 HG21 ILE 616 -3.831 3.265 0.135 565 HG22 ILE 616 HG22 ILE 616 -3.054 3.723 -1.378 566 HG23 ILE 616 HG23 ILE 616 -3.616 2.068 -1.144 567 HD11 ILE 616 HD11 ILE 616 -5.267 0.724 -1.113 568 HD12 ILE 616 HD12 ILE 616 -6.335 1.154 -2.454 569 HD13 ILE 616 HD13 ILE 616 -7.021 0.608 -0.931 570 H ASP 617 HN ASP 617 -4.160 7.033 -0.809 571 HA ASP 617 HA ASP 617 -3.785 7.525 -3.660 572 HB2 ASP 617 HB2 ASP 617 -5.002 9.267 -2.426 573 HB3 ASP 617 HB1 ASP 617 -3.655 9.404 -1.306 574 H PHE 618 HN PHE 618 -2.034 6.478 -4.152 575 HA PHE 618 HA PHE 618 -0.012 5.790 -2.360 576 HB2 PHE 618 HB2 PHE 618 -0.332 5.479 -5.300 577 HB3 PHE 618 HB1 PHE 618 1.171 5.030 -4.512 578 HD1 PHE 618 HD1 PHE 618 -2.448 4.292 -4.715 579 HD2 PHE 618 HD2 PHE 618 1.335 3.102 -3.199 580 HE1 PHE 618 HE1 PHE 618 -3.375 2.076 -4.082 581 HE2 PHE 618 HE2 PHE 618 0.421 0.940 -2.581 582 HZ PHE 618 HZ PHE 618 -1.945 0.419 -3.022 583 H GLU 619 HN GLU 619 -0.226 8.643 -4.223 584 HA GLU 619 HA GLU 619 2.621 8.961 -4.524 585 HB2 GLU 619 HB2 GLU 619 0.418 10.972 -4.888 586 HB3 GLU 619 HB1 GLU 619 2.102 11.204 -5.333 587 HG2 GLU 619 HG2 GLU 619 0.231 9.165 -6.453 588 HG3 GLU 619 HG1 GLU 619 0.750 10.679 -7.209 589 H THR 620 HN THR 620 0.155 10.415 -2.448 590 HA THR 620 HA THR 620 2.116 12.166 -1.316 591 HB THR 620 HB THR 620 -0.720 12.197 -0.439 592 HG1 THR 620 HG1 THR 620 -1.333 12.033 -2.507 593 HG21 THR 620 HG21 THR 620 0.976 13.931 0.113 594 HG22 THR 620 HG22 THR 620 -0.381 14.561 -0.858 595 HG23 THR 620 HG23 THR 620 1.162 14.172 -1.632 596 H LEU 621 HN LEU 621 1.542 9.117 -0.711 597 HA LEU 621 HA LEU 621 1.134 9.189 2.161 598 HB2 LEU 621 HB2 LEU 621 1.386 7.054 0.118 599 HB3 LEU 621 HB1 LEU 621 1.680 6.651 1.805 600 HG LEU 621 HG LEU 621 -0.920 7.815 0.762 601 HD11 LEU 621 HD11 LEU 621 -1.781 5.533 1.025 602 HD12 LEU 621 HD12 LEU 621 -0.161 4.988 1.481 603 HD13 LEU 621 HD13 LEU 621 -0.467 5.563 -0.160 604 HD21 LEU 621 HD21 LEU 621 -1.756 7.036 2.921 605 HD22 LEU 621 HD22 LEU 621 -0.468 8.233 3.122 606 HD23 LEU 621 HD23 LEU 621 -0.118 6.509 3.332 607 H LYS 622 HN LYS 622 2.630 8.329 3.670 608 HA LYS 622 HA LYS 622 5.399 8.899 3.143 609 HB2 LYS 622 HB2 LYS 622 3.916 7.762 5.506 610 HB3 LYS 622 HB1 LYS 622 5.666 7.800 5.461 611 HG2 LYS 622 HG2 LYS 622 5.625 10.216 5.321 612 HG3 LYS 622 HG1 LYS 622 3.855 10.196 5.298 613 HD2 LYS 622 HD2 LYS 622 3.766 9.290 7.503 614 HD3 LYS 622 HD1 LYS 622 5.503 9.006 7.520 615 HE2 LYS 622 HE2 LYS 622 4.276 11.738 7.271 616 HE3 LYS 622 HE1 LYS 622 4.704 11.021 8.828 617 HZ1 LYS 622 HZ1 LYS 622 6.580 11.592 6.579 618 HZ2 LYS 622 HZ2 LYS 622 6.982 10.927 8.074 619 HZ3 LYS 622 HZ3 LYS 622 6.386 12.500 8.004 620 HA PRO 623 HA PRO 623 6.690 4.878 1.694 621 HB2 PRO 623 HB2 PRO 623 9.172 4.802 3.122 622 HB3 PRO 623 HB1 PRO 623 8.899 5.370 1.485 623 HG2 PRO 623 HG2 PRO 623 9.144 6.909 3.992 624 HG3 PRO 623 HG1 PRO 623 9.586 7.365 2.342 625 HD2 PRO 623 HD2 PRO 623 7.417 8.362 3.613 626 HD3 PRO 623 HD1 PRO 623 7.470 8.128 1.855 627 H THR 624 HN THR 624 6.802 5.660 5.149 628 HA THR 624 HA THR 624 7.028 3.049 6.106 629 HB THR 624 HB THR 624 5.821 4.335 8.100 630 HG1 THR 624 HG1 THR 624 5.582 6.352 7.724 631 HG21 THR 624 HG21 THR 624 8.661 4.829 7.186 632 HG22 THR 624 HG22 THR 624 8.102 3.501 8.216 633 HG23 THR 624 HG23 THR 624 8.048 5.161 8.805 634 H THR 625 HN THR 625 4.301 5.178 5.423 635 HA THR 625 HA THR 625 2.335 3.425 6.427 636 HB THR 625 HB THR 625 1.995 5.573 4.341 637 HG1 THR 625 HG1 THR 625 2.617 5.796 7.075 638 HG21 THR 625 HG21 THR 625 0.168 4.529 6.513 639 HG22 THR 625 HG22 THR 625 0.027 4.180 4.795 640 HG23 THR 625 HG23 THR 625 -0.240 5.826 5.386 641 H LEU 626 HN LEU 626 3.416 4.323 3.172 642 HA LEU 626 HA LEU 626 1.965 2.608 1.594 643 HB2 LEU 626 HB2 LEU 626 4.781 3.601 1.343 644 HB3 LEU 626 HB1 LEU 626 4.031 2.632 0.099 645 HG LEU 626 HG LEU 626 2.877 5.239 1.034 646 HD11 LEU 626 HD11 LEU 626 5.156 5.607 0.147 647 HD12 LEU 626 HD12 LEU 626 3.937 6.216 -0.970 648 HD13 LEU 626 HD13 LEU 626 4.740 4.681 -1.295 649 HD21 LEU 626 HD21 LEU 626 2.509 3.563 -1.438 650 HD22 LEU 626 HD22 LEU 626 1.763 5.132 -1.147 651 HD23 LEU 626 HD23 LEU 626 1.346 3.754 -0.126 652 H ARG 627 HN ARG 627 5.099 1.987 3.160 653 HA ARG 627 HA ARG 627 5.315 -0.625 2.145 654 HB2 ARG 627 HB2 ARG 627 7.183 0.853 3.042 655 HB3 ARG 627 HB1 ARG 627 6.607 0.382 4.643 656 HG2 ARG 627 HG2 ARG 627 8.415 -1.069 4.121 657 HG3 ARG 627 HG1 ARG 627 6.940 -2.016 3.920 658 HD2 ARG 627 HD2 ARG 627 8.255 -2.544 2.022 659 HD3 ARG 627 HD1 ARG 627 7.068 -1.392 1.430 660 HE ARG 627 HE ARG 627 9.452 -0.126 2.306 661 HH11 ARG 627 HH11 ARG 627 8.016 -1.765 -0.579 662 HH12 ARG 627 HH12 ARG 627 9.212 -1.122 -1.614 663 HH21 ARG 627 HH21 ARG 627 11.043 0.657 0.787 664 HH22 ARG 627 HH22 ARG 627 10.912 0.253 -0.870 665 H GLU 628 HN GLU 628 3.780 0.701 5.065 666 HA GLU 628 HA GLU 628 3.558 -1.730 6.466 667 HB2 GLU 628 HB2 GLU 628 3.042 0.959 6.845 668 HB3 GLU 628 HB1 GLU 628 1.447 0.252 6.842 669 HG2 GLU 628 HG2 GLU 628 3.737 -0.616 8.633 670 HG3 GLU 628 HG1 GLU 628 2.507 0.540 9.108 671 H LEU 629 HN LEU 629 1.637 -0.063 4.032 672 HA LEU 629 HA LEU 629 -0.624 -1.801 3.865 673 HB2 LEU 629 HB2 LEU 629 0.713 -0.589 1.438 674 HB3 LEU 629 HB1 LEU 629 -0.982 -0.950 1.669 675 HG LEU 629 HG LEU 629 0.505 1.329 2.974 676 HD11 LEU 629 HD11 LEU 629 -0.725 2.737 1.409 677 HD12 LEU 629 HD12 LEU 629 -1.416 1.306 0.652 678 HD13 LEU 629 HD13 LEU 629 0.321 1.602 0.554 679 HD21 LEU 629 HD21 LEU 629 -2.438 0.723 2.829 680 HD22 LEU 629 HD22 LEU 629 -1.686 2.140 3.560 681 HD23 LEU 629 HD23 LEU 629 -1.422 0.540 4.259 682 H GLU 630 HN GLU 630 2.470 -1.711 2.147 683 HA GLU 630 HA GLU 630 2.220 -3.938 0.508 684 HB2 GLU 630 HB2 GLU 630 4.000 -2.174 0.386 685 HB3 GLU 630 HB1 GLU 630 4.787 -2.955 1.749 686 HG2 GLU 630 HG2 GLU 630 4.783 -5.060 0.342 687 HG3 GLU 630 HG1 GLU 630 4.353 -4.027 -1.006 688 H ARG 631 HN ARG 631 3.625 -3.640 3.698 689 HA ARG 631 HA ARG 631 4.551 -6.250 4.092 690 HB2 ARG 631 HB2 ARG 631 3.751 -4.048 5.964 691 HB3 ARG 631 HB1 ARG 631 4.271 -5.610 6.582 692 HG2 ARG 631 HG2 ARG 631 6.443 -5.301 5.920 693 HG3 ARG 631 HG1 ARG 631 5.984 -4.260 4.577 694 HD2 ARG 631 HD2 ARG 631 7.181 -3.089 6.419 695 HD3 ARG 631 HD1 ARG 631 5.613 -2.414 6.018 696 HE ARG 631 HE ARG 631 5.196 -4.165 8.102 697 HH11 ARG 631 HH11 ARG 631 7.303 -1.378 7.615 698 HH12 ARG 631 HH12 ARG 631 7.015 -0.700 9.148 699 HH21 ARG 631 HH21 ARG 631 4.864 -3.309 10.229 700 HH22 ARG 631 HH22 ARG 631 5.620 -1.857 10.716 701 H TYR 632 HN TYR 632 1.416 -4.880 4.473 702 HA TYR 632 HA TYR 632 0.449 -7.206 5.839 703 HB2 TYR 632 HB2 TYR 632 -0.571 -5.178 6.482 704 HB3 TYR 632 HB1 TYR 632 -1.000 -4.761 4.815 705 HD1 TYR 632 HD1 TYR 632 -2.978 -5.499 3.899 706 HD2 TYR 632 HD2 TYR 632 -1.607 -7.225 7.503 707 HE1 TYR 632 HE1 TYR 632 -5.046 -6.776 4.040 708 HE2 TYR 632 HE2 TYR 632 -3.675 -8.517 7.707 709 HH TYR 632 HH TYR 632 -6.010 -8.374 6.892 710 H VAL 633 HN VAL 633 -0.100 -5.705 2.674 711 HA VAL 633 HA VAL 633 -1.756 -7.690 1.689 712 HB VAL 633 HB VAL 633 -1.355 -6.867 -0.544 713 HG11 VAL 633 HG11 VAL 633 -2.751 -5.476 0.873 714 HG12 VAL 633 HG12 VAL 633 -1.861 -4.504 -0.288 715 HG13 VAL 633 HG13 VAL 633 -1.325 -4.577 1.393 716 HG21 VAL 633 HG21 VAL 633 1.024 -5.410 0.600 717 HG22 VAL 633 HG22 VAL 633 0.361 -5.083 -1.000 718 HG23 VAL 633 HG23 VAL 633 1.058 -6.662 -0.635 719 H LYS 634 HN LYS 634 1.757 -7.526 1.685 720 HA LYS 634 HA LYS 634 2.129 -9.826 0.092 721 HB2 LYS 634 HB2 LYS 634 4.466 -9.717 0.691 722 HB3 LYS 634 HB1 LYS 634 3.835 -8.071 0.610 723 HG2 LYS 634 HG2 LYS 634 3.777 -7.891 2.980 724 HG3 LYS 634 HG1 LYS 634 4.222 -9.581 3.171 725 HD2 LYS 634 HD2 LYS 634 6.161 -8.131 3.544 726 HD3 LYS 634 HD1 LYS 634 6.396 -9.120 2.104 727 HE2 LYS 634 HE2 LYS 634 5.730 -7.240 0.702 728 HE3 LYS 634 HE1 LYS 634 5.467 -6.247 2.128 729 HZ1 LYS 634 HZ1 LYS 634 8.090 -7.347 1.223 730 HZ2 LYS 634 HZ2 LYS 634 7.835 -6.431 2.615 731 HZ3 LYS 634 HZ3 LYS 634 7.532 -5.754 1.109 732 H SER 635 HN SER 635 1.539 -9.364 3.523 733 HA SER 635 HA SER 635 2.401 -11.898 4.405 734 HB2 SER 635 HB2 SER 635 2.112 -9.890 5.873 735 HB3 SER 635 HB1 SER 635 0.376 -9.972 5.609 736 HG SER 635 HG SER 635 1.783 -12.175 6.633 737 H CYS 636 HN CYS 636 -0.589 -10.607 3.112 738 HA CYS 636 HA CYS 636 -2.038 -13.028 3.590 739 HB2 CYS 636 HB2 CYS 636 -3.133 -10.835 3.659 740 HB3 CYS 636 HB1 CYS 636 -2.736 -10.593 1.971 741 HG CYS 636 HG CYS 636 -4.189 -13.347 1.719 742 H LEU 637 HN LEU 637 -0.555 -11.376 0.810 743 HA LEU 637 HA LEU 637 -1.534 -13.282 -1.006 744 HB2 LEU 637 HB2 LEU 637 0.296 -10.995 -1.253 745 HB3 LEU 637 HB1 LEU 637 0.407 -12.264 -2.459 746 HG LEU 637 HG LEU 637 -0.999 -10.475 -3.265 747 HD11 LEU 637 HD11 LEU 637 -1.540 -12.692 -3.990 748 HD12 LEU 637 HD12 LEU 637 -3.012 -11.730 -3.805 749 HD13 LEU 637 HD13 LEU 637 -2.595 -12.931 -2.597 750 HD21 LEU 637 HD21 LEU 637 -2.757 -11.012 -0.878 751 HD22 LEU 637 HD22 LEU 637 -3.132 -9.928 -2.215 752 HD23 LEU 637 HD23 LEU 637 -1.776 -9.571 -1.140 753 H GLN 638 HN GLN 638 1.163 -13.474 1.046 754 HA GLN 638 HA GLN 638 2.576 -15.268 -0.561 755 HB2 GLN 638 HB2 GLN 638 2.577 -14.822 2.350 756 HB3 GLN 638 HB1 GLN 638 3.603 -16.078 1.646 757 HG2 GLN 638 HG2 GLN 638 3.611 -13.162 0.944 758 HG3 GLN 638 HG1 GLN 638 4.807 -13.935 1.998 759 HE21 GLN 638 HE21 GLN 638 4.970 -16.332 0.294 760 HE22 GLN 638 HE22 GLN 638 5.784 -15.856 -1.143 761 H LYS 639 HN LYS 639 -0.368 -15.615 1.018 762 HA LYS 639 HA LYS 639 -0.451 -18.451 1.376 763 HB2 LYS 639 HB2 LYS 639 -2.650 -16.457 0.813 764 HB3 LYS 639 HB1 LYS 639 -2.920 -18.132 1.238 765 HG2 LYS 639 HG2 LYS 639 -2.017 -17.754 3.447 766 HG3 LYS 639 HG1 LYS 639 -1.595 -16.090 3.014 767 HD2 LYS 639 HD2 LYS 639 -3.951 -15.582 2.617 768 HD3 LYS 639 HD1 LYS 639 -4.381 -17.246 3.001 769 HE2 LYS 639 HE2 LYS 639 -3.093 -15.301 4.912 770 HE3 LYS 639 HE1 LYS 639 -4.816 -15.642 4.824 771 HZ1 LYS 639 HZ1 LYS 639 -4.336 -17.953 5.352 772 HZ2 LYS 639 HZ2 LYS 639 -3.829 -16.913 6.571 773 HZ3 LYS 639 HZ3 LYS 639 -2.689 -17.601 5.547 774 H LYS 640 HN LYS 640 -0.531 -16.319 -1.271 775 HA LYS 640 HA LYS 640 -1.749 -18.210 -3.103 776 HB2 LYS 640 HB2 LYS 640 -2.541 -15.945 -3.316 777 HB3 LYS 640 HB1 LYS 640 -0.908 -15.312 -3.342 778 HG2 LYS 640 HG2 LYS 640 -1.866 -15.189 -5.544 779 HG3 LYS 640 HG1 LYS 640 -0.564 -16.374 -5.540 780 HD2 LYS 640 HD2 LYS 640 -2.257 -18.157 -5.320 781 HD3 LYS 640 HD1 LYS 640 -3.527 -16.936 -5.451 782 HE2 LYS 640 HE2 LYS 640 -2.624 -16.274 -7.645 783 HE3 LYS 640 HE1 LYS 640 -1.411 -17.540 -7.509 784 HZ1 LYS 640 HZ1 LYS 640 -4.345 -17.928 -7.649 785 HZ2 LYS 640 HZ2 LYS 640 -3.229 -19.172 -7.431 786 HZ3 LYS 640 HZ3 LYS 640 -3.228 -18.274 -8.857 787 H GLN 641 HN GLN 641 1.105 -16.061 -3.281 788 HA GLN 641 HA GLN 641 2.975 -18.127 -3.964 789 HB2 GLN 641 HB2 GLN 641 1.887 -16.283 -6.113 790 HB3 GLN 641 HB1 GLN 641 3.495 -16.965 -6.199 791 HG2 GLN 641 HG2 GLN 641 0.933 -18.552 -6.141 792 HG3 GLN 641 HG1 GLN 641 1.857 -18.155 -7.589 793 HE21 GLN 641 HE21 GLN 641 1.708 -20.083 -4.751 794 HE22 GLN 641 HE22 GLN 641 3.007 -21.154 -5.158 795 H ARG 642 HN ARG 642 4.993 -16.819 -4.914 796 HA ARG 642 HA ARG 642 5.414 -14.471 -3.260 797 HB2 ARG 642 HB2 ARG 642 7.170 -15.796 -5.342 798 HB3 ARG 642 HB1 ARG 642 7.674 -14.482 -4.288 799 HG2 ARG 642 HG2 ARG 642 7.396 -15.942 -2.343 800 HG3 ARG 642 HG1 ARG 642 6.886 -17.249 -3.411 801 HD2 ARG 642 HD2 ARG 642 9.565 -15.872 -3.451 802 HD3 ARG 642 HD1 ARG 642 9.236 -17.483 -2.810 803 HE ARG 642 HE ARG 642 8.529 -17.010 -5.576 804 HH11 ARG 642 HH11 ARG 642 11.002 -18.271 -3.372 805 HH12 ARG 642 HH12 ARG 642 11.711 -19.273 -4.548 806 HH21 ARG 642 HH21 ARG 642 9.507 -18.396 -7.169 807 HH22 ARG 642 HH22 ARG 642 10.846 -19.357 -6.735 808 H LYS 643 HN LYS 643 6.245 -12.422 -4.560 809 HA LYS 643 HA LYS 643 4.528 -12.357 -6.924 810 HB2 LYS 643 HB2 LYS 643 4.622 -10.306 -4.759 811 HB3 LYS 643 HB1 LYS 643 3.756 -10.106 -6.280 812 HG2 LYS 643 HG2 LYS 643 2.355 -11.992 -5.775 813 HG3 LYS 643 HG1 LYS 643 3.276 -12.327 -4.317 814 HD2 LYS 643 HD2 LYS 643 1.675 -9.841 -4.843 815 HD3 LYS 643 HD1 LYS 643 1.113 -11.208 -3.898 816 HE2 LYS 643 HE2 LYS 643 1.860 -9.799 -2.227 817 HE3 LYS 643 HE1 LYS 643 3.326 -10.723 -2.526 818 HZ1 LYS 643 HZ1 LYS 643 4.088 -8.847 -3.970 819 HZ2 LYS 643 HZ2 LYS 643 3.771 -8.357 -2.394 820 HZ3 LYS 643 HZ3 LYS 643 2.648 -8.056 -3.597 821 HA PRO 644 HA PRO 644 7.969 -10.112 -8.632 822 HB2 PRO 644 HB2 PRO 644 8.357 -11.735 -10.774 823 HB3 PRO 644 HB1 PRO 644 9.105 -12.052 -9.206 824 HG2 PRO 644 HG2 PRO 644 6.938 -13.494 -10.559 825 HG3 PRO 644 HG1 PRO 644 7.955 -14.012 -9.208 826 HD2 PRO 644 HD2 PRO 644 5.260 -12.947 -9.132 827 HD3 PRO 644 HD1 PRO 644 6.232 -13.601 -7.809 Start of MODEL 11 1 H1 LYS 290 HT1 LYS 290 3.628 11.475 -16.853 2 H2 LYS 290 HT2 LYS 290 2.840 10.067 -17.295 3 H3 LYS 290 HT3 LYS 290 4.274 10.473 -18.053 4 HA LYS 290 HA LYS 290 4.600 8.726 -16.461 5 HB2 LYS 290 HB2 LYS 290 5.716 11.370 -15.531 6 HB3 LYS 290 HB1 LYS 290 6.293 9.800 -15.003 7 HG2 LYS 290 HG2 LYS 290 6.942 9.286 -17.315 8 HG3 LYS 290 HG1 LYS 290 6.400 10.898 -17.794 9 HD2 LYS 290 HD2 LYS 290 7.996 11.905 -16.265 10 HD3 LYS 290 HD1 LYS 290 8.538 10.311 -15.760 11 HE2 LYS 290 HE2 LYS 290 9.251 9.847 -18.061 12 HE3 LYS 290 HE1 LYS 290 8.728 11.465 -18.532 13 HZ1 LYS 290 HZ1 LYS 290 10.867 10.812 -16.588 14 HZ2 LYS 290 HZ2 LYS 290 10.354 12.360 -16.929 15 HZ3 LYS 290 HZ3 LYS 290 11.095 11.432 -18.126 16 H VAL 291 HN VAL 291 4.273 7.897 -14.472 17 HA VAL 291 HA VAL 291 3.236 7.415 -12.582 18 HB VAL 291 HB VAL 291 3.513 10.373 -11.944 19 HG11 VAL 291 HG11 VAL 291 3.491 9.658 -9.590 20 HG12 VAL 291 HG12 VAL 291 3.186 8.001 -10.106 21 HG13 VAL 291 HG13 VAL 291 1.985 9.257 -10.416 22 HG21 VAL 291 HG21 VAL 291 5.663 9.391 -12.548 23 HG22 VAL 291 HG22 VAL 291 5.409 8.089 -11.385 24 HG23 VAL 291 HG23 VAL 291 5.607 9.749 -10.822 25 H ALA 292 HN ALA 292 1.404 6.830 -13.691 26 HA ALA 292 HA ALA 292 -0.810 8.627 -13.902 27 HB1 ALA 292 HB1 ALA 292 -0.512 6.771 -15.484 28 HB2 ALA 292 HB2 ALA 292 -2.050 6.638 -14.631 29 HB3 ALA 292 HB3 ALA 292 -0.692 5.617 -14.165 30 HA PRO 293 HA PRO 293 -2.471 8.183 -9.731 31 HB2 PRO 293 HB2 PRO 293 -5.035 8.145 -11.279 32 HB3 PRO 293 HB1 PRO 293 -4.614 9.093 -9.847 33 HG2 PRO 293 HG2 PRO 293 -4.639 10.269 -12.203 34 HG3 PRO 293 HG1 PRO 293 -3.322 10.597 -11.060 35 HD2 PRO 293 HD2 PRO 293 -3.309 8.879 -13.509 36 HD3 PRO 293 HD1 PRO 293 -2.046 9.952 -12.870 37 H LEU 294 HN LEU 294 -3.390 6.528 -8.518 38 HA LEU 294 HA LEU 294 -3.562 4.002 -9.962 39 HB2 LEU 294 HB2 LEU 294 -2.785 4.646 -7.133 40 HB3 LEU 294 HB1 LEU 294 -3.030 3.003 -7.711 41 HG LEU 294 HG LEU 294 -1.029 4.894 -8.958 42 HD11 LEU 294 HD11 LEU 294 0.681 3.685 -7.734 43 HD12 LEU 294 HD12 LEU 294 -0.557 2.760 -6.889 44 HD13 LEU 294 HD13 LEU 294 -0.420 4.498 -6.626 45 HD21 LEU 294 HD21 LEU 294 -1.376 1.910 -9.087 46 HD22 LEU 294 HD22 LEU 294 -0.090 2.834 -9.863 47 HD23 LEU 294 HD23 LEU 294 -1.764 3.049 -10.379 48 H LYS 295 HN LYS 295 -5.056 2.391 -9.177 49 HA LYS 295 HA LYS 295 -7.600 3.657 -9.007 50 HB2 LYS 295 HB2 LYS 295 -7.352 1.833 -10.575 51 HB3 LYS 295 HB1 LYS 295 -6.916 0.732 -9.277 52 HG2 LYS 295 HG2 LYS 295 -9.242 0.411 -10.048 53 HG3 LYS 295 HG1 LYS 295 -9.148 0.876 -8.351 54 HD2 LYS 295 HD2 LYS 295 -9.674 3.195 -8.959 55 HD3 LYS 295 HD1 LYS 295 -9.771 2.718 -10.654 56 HE2 LYS 295 HE2 LYS 295 -11.983 2.914 -9.595 57 HE3 LYS 295 HE1 LYS 295 -11.666 1.279 -10.159 58 HZ1 LYS 295 HZ1 LYS 295 -12.666 1.325 -7.927 59 HZ2 LYS 295 HZ2 LYS 295 -11.374 2.223 -7.350 60 HZ3 LYS 295 HZ3 LYS 295 -11.132 0.645 -7.882 61 H ILE 296 HN ILE 296 -8.011 4.465 -7.132 62 HA ILE 296 HA ILE 296 -8.058 2.688 -4.816 63 HB ILE 296 HB ILE 296 -8.330 4.700 -3.451 64 HG12 ILE 296 HG12 ILE 296 -8.262 6.209 -6.082 65 HG13 ILE 296 HG11 ILE 296 -9.637 6.020 -4.994 66 HG21 ILE 296 HG21 ILE 296 -6.071 3.985 -3.972 67 HG22 ILE 296 HG22 ILE 296 -6.135 5.747 -3.874 68 HG23 ILE 296 HG23 ILE 296 -6.083 4.952 -5.447 69 HD11 ILE 296 HD11 ILE 296 -8.514 7.321 -3.292 70 HD12 ILE 296 HD12 ILE 296 -8.595 8.235 -4.802 71 HD13 ILE 296 HD13 ILE 296 -7.083 7.464 -4.313 72 H LYS 297 HN LYS 297 -10.173 3.917 -3.386 73 HA LYS 297 HA LYS 297 -12.371 3.788 -3.107 74 HB2 LYS 297 HB2 LYS 297 -12.625 4.087 -6.135 75 HB3 LYS 297 HB1 LYS 297 -13.960 3.976 -4.990 76 HG2 LYS 297 HG2 LYS 297 -11.918 6.167 -4.907 77 HG3 LYS 297 HG1 LYS 297 -13.460 6.268 -5.765 78 HD2 LYS 297 HD2 LYS 297 -14.562 5.627 -3.588 79 HD3 LYS 297 HD1 LYS 297 -13.001 5.900 -2.821 80 HE2 LYS 297 HE2 LYS 297 -13.016 8.206 -3.577 81 HE3 LYS 297 HE1 LYS 297 -14.553 7.941 -4.407 82 HZ1 LYS 297 HZ1 LYS 297 -14.025 7.857 -1.495 83 HZ2 LYS 297 HZ2 LYS 297 -15.455 7.286 -2.205 84 HZ3 LYS 297 HZ3 LYS 297 -15.035 8.931 -2.336 85 H LEU 298 HN LEU 298 -12.103 1.875 -2.301 86 HA LEU 298 HA LEU 298 -13.078 -0.342 -3.882 87 HB2 LEU 298 HB2 LEU 298 -10.815 -0.729 -4.074 88 HB3 LEU 298 HB1 LEU 298 -10.440 -0.064 -2.514 89 HG LEU 298 HG LEU 298 -11.184 -2.080 -1.430 90 HD11 LEU 298 HD11 LEU 298 -11.703 -3.110 -4.260 91 HD12 LEU 298 HD12 LEU 298 -12.954 -2.760 -3.067 92 HD13 LEU 298 HD13 LEU 298 -11.817 -4.080 -2.791 93 HD21 LEU 298 HD21 LEU 298 -8.903 -1.931 -2.123 94 HD22 LEU 298 HD22 LEU 298 -9.302 -2.510 -3.735 95 HD23 LEU 298 HD23 LEU 298 -9.433 -3.600 -2.360 96 H GLY 299 HN GLY 299 -14.744 -1.098 -2.908 97 HA2 GLY 299 HA2 GLY 299 -14.906 -1.981 -0.301 98 HA3 GLY 299 HA1 GLY 299 -15.597 -0.355 -0.360 99 H GLY 300 HN GLY 300 -17.658 -0.181 -0.932 100 HA2 GLY 300 HA2 GLY 300 -19.037 -2.564 -1.878 101 HA3 GLY 300 HA1 GLY 300 -19.790 -1.077 -1.310 102 H PHE 301 HN PHE 301 -17.566 0.035 -3.246 103 HA PHE 301 HA PHE 301 -17.463 0.988 -5.273 104 HB2 PHE 301 HB2 PHE 301 -18.907 -1.497 -6.214 105 HB3 PHE 301 HB1 PHE 301 -18.051 -0.356 -7.244 106 HD1 PHE 301 HD1 PHE 301 -15.556 0.003 -6.748 107 HD2 PHE 301 HD2 PHE 301 -17.792 -3.315 -5.314 108 HE1 PHE 301 HE1 PHE 301 -13.470 -1.253 -6.410 109 HE2 PHE 301 HE2 PHE 301 -15.712 -4.576 -4.973 110 HZ PHE 301 HZ PHE 301 -13.552 -3.545 -5.519 111 H ALA 557 HN ALA 557 17.543 16.599 29.813 112 HA ALA 557 HA ALA 557 15.835 17.246 28.288 113 HB1 ALA 557 HB1 ALA 557 16.175 18.807 30.152 114 HB2 ALA 557 HB2 ALA 557 15.639 19.641 28.694 115 HB3 ALA 557 HB3 ALA 557 17.334 19.708 29.175 116 H SER 558 HN SER 558 18.881 17.330 27.213 117 HA SER 558 HA SER 558 18.602 19.186 25.048 118 HB2 SER 558 HB2 SER 558 20.763 17.163 25.607 119 HB3 SER 558 HB1 SER 558 20.852 18.489 24.447 120 HG SER 558 HG SER 558 20.805 19.940 26.067 121 H ALA 559 HN ALA 559 16.900 18.420 23.873 122 HA ALA 559 HA ALA 559 17.571 16.304 22.007 123 HB1 ALA 559 HB1 ALA 559 15.320 15.307 22.187 124 HB2 ALA 559 HB2 ALA 559 14.952 16.391 23.525 125 HB3 ALA 559 HB3 ALA 559 16.206 15.165 23.703 126 H SER 560 HN SER 560 17.094 16.988 20.022 127 HA SER 560 HA SER 560 15.792 19.541 19.721 128 HB2 SER 560 HB2 SER 560 17.018 17.706 17.655 129 HB3 SER 560 HB1 SER 560 16.588 19.402 17.429 130 HG SER 560 HG SER 560 18.101 19.860 19.119 131 H TYR 561 HN TYR 561 15.335 16.153 18.864 132 HA TYR 561 HA TYR 561 12.547 16.670 18.277 133 HB2 TYR 561 HB2 TYR 561 12.620 15.347 16.195 134 HB3 TYR 561 HB1 TYR 561 13.697 16.729 16.067 135 HD1 TYR 561 HD1 TYR 561 16.139 16.262 16.568 136 HD2 TYR 561 HD2 TYR 561 13.394 13.209 15.643 137 HE1 TYR 561 HE1 TYR 561 18.036 14.794 15.886 138 HE2 TYR 561 HE2 TYR 561 15.231 11.715 14.971 139 HH TYR 561 HH TYR 561 17.590 12.055 14.099 140 H ASP 562 HN ASP 562 11.821 14.237 17.583 141 HA ASP 562 HA ASP 562 12.847 12.420 19.630 142 HB2 ASP 562 HB2 ASP 562 10.653 11.797 20.403 143 HB3 ASP 562 HB1 ASP 562 10.748 13.545 20.491 144 H SER 563 HN SER 563 12.478 10.211 19.129 145 HA SER 563 HA SER 563 12.374 9.838 16.287 146 HB2 SER 563 HB2 SER 563 13.384 7.581 17.053 147 HB3 SER 563 HB1 SER 563 14.354 9.055 17.147 148 HG SER 563 HG SER 563 13.575 7.407 19.131 149 H GLU 564 HN GLU 564 10.813 8.759 15.347 150 HA GLU 564 HA GLU 564 8.636 7.857 17.035 151 HB2 GLU 564 HB2 GLU 564 7.252 8.243 15.079 152 HB3 GLU 564 HB1 GLU 564 8.250 9.628 15.496 153 HG2 GLU 564 HG2 GLU 564 9.793 9.182 13.743 154 HG3 GLU 564 HG1 GLU 564 8.966 7.683 13.317 155 H GLU 565 HN GLU 565 7.261 6.110 15.511 156 HA GLU 565 HA GLU 565 8.926 3.774 15.726 157 HB2 GLU 565 HB2 GLU 565 6.069 3.951 14.745 158 HB3 GLU 565 HB1 GLU 565 6.926 2.478 15.136 159 HG2 GLU 565 HG2 GLU 565 5.524 2.855 16.956 160 HG3 GLU 565 HG1 GLU 565 7.100 3.420 17.503 161 H GLU 566 HN GLU 566 7.414 5.582 13.160 162 HA GLU 566 HA GLU 566 8.033 3.722 11.118 163 HB2 GLU 566 HB2 GLU 566 7.140 6.593 11.003 164 HB3 GLU 566 HB1 GLU 566 7.340 5.582 9.583 165 HG2 GLU 566 HG2 GLU 566 5.634 4.055 10.425 166 HG3 GLU 566 HG1 GLU 566 5.423 5.071 11.850 167 H GLU 567 HN GLU 567 10.148 3.311 11.239 168 HA GLU 567 HA GLU 567 12.072 5.406 10.474 169 HB2 GLU 567 HB2 GLU 567 12.359 2.890 12.108 170 HB3 GLU 567 HB1 GLU 567 13.725 3.830 11.536 171 HG2 GLU 567 HG2 GLU 567 11.554 5.020 13.232 172 HG3 GLU 567 HG1 GLU 567 12.964 4.223 13.923 173 H GLU 568 HN GLU 568 10.396 3.617 8.685 174 HA GLU 568 HA GLU 568 12.269 1.723 7.485 175 HB2 GLU 568 HB2 GLU 568 9.760 2.875 6.183 176 HB3 GLU 568 HB1 GLU 568 10.673 1.489 5.661 177 HG2 GLU 568 HG2 GLU 568 9.127 1.667 8.233 178 HG3 GLU 568 HG1 GLU 568 8.639 0.810 6.771 179 H GLY 569 HN GLY 569 10.872 4.455 6.314 180 HA2 GLY 569 HA2 GLY 569 11.650 6.371 5.109 181 HA3 GLY 569 HA1 GLY 569 13.281 5.888 5.557 182 H LEU 570 HN LEU 570 10.995 3.903 4.023 183 HA LEU 570 HA LEU 570 12.785 3.466 1.768 184 HB2 LEU 570 HB2 LEU 570 10.450 1.980 2.873 185 HB3 LEU 570 HB1 LEU 570 11.445 1.414 1.522 186 HG LEU 570 HG LEU 570 12.280 1.848 4.377 187 HD11 LEU 570 HD11 LEU 570 10.894 -0.153 4.090 188 HD12 LEU 570 HD12 LEU 570 12.566 -0.635 4.371 189 HD13 LEU 570 HD13 LEU 570 11.895 -0.676 2.739 190 HD21 LEU 570 HD21 LEU 570 13.840 0.888 1.986 191 HD22 LEU 570 HD22 LEU 570 14.388 0.734 3.648 192 HD23 LEU 570 HD23 LEU 570 14.145 2.335 2.953 193 HA PRO 571 HA PRO 571 9.573 5.880 -0.410 194 HB2 PRO 571 HB2 PRO 571 11.531 5.679 -2.604 195 HB3 PRO 571 HB1 PRO 571 10.811 7.125 -1.892 196 HG2 PRO 571 HG2 PRO 571 13.384 6.488 -1.495 197 HG3 PRO 571 HG1 PRO 571 12.411 7.262 -0.231 198 HD2 PRO 571 HD2 PRO 571 13.198 4.392 -0.529 199 HD3 PRO 571 HD1 PRO 571 13.122 5.396 0.935 200 H MET 572 HN MET 572 8.233 5.267 -2.112 201 HA MET 572 HA MET 572 8.413 2.419 -2.813 202 HB2 MET 572 HB2 MET 572 6.109 4.348 -3.062 203 HB3 MET 572 HB1 MET 572 6.042 2.611 -3.283 204 HG2 MET 572 HG2 MET 572 6.673 3.998 -0.692 205 HG3 MET 572 HG1 MET 572 5.084 3.414 -1.176 206 HE1 MET 572 HE1 MET 572 4.489 0.921 -1.481 207 HE2 MET 572 HE2 MET 572 5.586 -0.441 -1.224 208 HE3 MET 572 HE3 MET 572 5.812 0.632 -2.609 209 H SER 573 HN SER 573 8.741 1.905 -4.946 210 HA SER 573 HA SER 573 9.077 4.123 -6.791 211 HB2 SER 573 HB2 SER 573 9.787 2.312 -8.397 212 HB3 SER 573 HB1 SER 573 10.743 2.354 -6.915 213 HG SER 573 HG SER 573 9.666 0.629 -6.150 214 H TYR 574 HN TYR 574 7.974 3.941 -9.004 215 HA TYR 574 HA TYR 574 5.236 3.870 -8.456 216 HB2 TYR 574 HB2 TYR 574 6.134 5.278 -10.299 217 HB3 TYR 574 HB1 TYR 574 6.481 3.813 -11.224 218 HD1 TYR 574 HD1 TYR 574 3.648 5.458 -9.444 219 HD2 TYR 574 HD2 TYR 574 4.860 3.047 -12.735 220 HE1 TYR 574 HE1 TYR 574 1.332 5.401 -10.242 221 HE2 TYR 574 HE2 TYR 574 2.536 2.990 -13.547 222 HH TYR 574 HH TYR 574 0.095 5.006 -12.154 223 H ASP 575 HN ASP 575 7.395 1.464 -9.656 224 HA ASP 575 HA ASP 575 5.512 -0.416 -10.588 225 HB2 ASP 575 HB2 ASP 575 7.836 -0.735 -11.092 226 HB3 ASP 575 HB1 ASP 575 8.256 -0.785 -9.382 227 H GLU 576 HN GLU 576 7.043 -0.028 -7.407 228 HA GLU 576 HA GLU 576 5.720 -2.067 -6.110 229 HB2 GLU 576 HB2 GLU 576 6.803 0.502 -4.989 230 HB3 GLU 576 HB1 GLU 576 6.369 -0.924 -4.045 231 HG2 GLU 576 HG2 GLU 576 8.012 -2.232 -5.278 232 HG3 GLU 576 HG1 GLU 576 8.410 -0.818 -6.215 233 H LYS 577 HN LYS 577 4.914 1.405 -6.245 234 HA LYS 577 HA LYS 577 2.545 1.310 -4.746 235 HB2 LYS 577 HB2 LYS 577 3.235 3.090 -7.061 236 HB3 LYS 577 HB1 LYS 577 1.915 3.387 -5.938 237 HG2 LYS 577 HG2 LYS 577 3.584 3.545 -4.102 238 HG3 LYS 577 HG1 LYS 577 4.864 3.397 -5.308 239 HD2 LYS 577 HD2 LYS 577 4.033 5.423 -6.420 240 HD3 LYS 577 HD1 LYS 577 2.768 5.573 -5.197 241 HE2 LYS 577 HE2 LYS 577 4.547 5.729 -3.473 242 HE3 LYS 577 HE1 LYS 577 5.742 5.713 -4.767 243 HZ1 LYS 577 HZ1 LYS 577 5.283 7.988 -4.063 244 HZ2 LYS 577 HZ2 LYS 577 3.629 7.775 -4.340 245 HZ3 LYS 577 HZ3 LYS 577 4.694 7.768 -5.638 246 H ARG 578 HN ARG 578 3.078 0.953 -8.209 247 HA ARG 578 HA ARG 578 0.479 0.695 -9.150 248 HB2 ARG 578 HB2 ARG 578 2.556 0.855 -10.528 249 HB3 ARG 578 HB1 ARG 578 2.926 -0.804 -10.099 250 HG2 ARG 578 HG2 ARG 578 2.011 -0.783 -12.285 251 HG3 ARG 578 HG1 ARG 578 0.800 -1.480 -11.206 252 HD2 ARG 578 HD2 ARG 578 -0.394 0.629 -11.149 253 HD3 ARG 578 HD1 ARG 578 0.857 1.385 -12.133 254 HE ARG 578 HE ARG 578 -0.497 -0.929 -13.221 255 HH11 ARG 578 HH11 ARG 578 -0.188 2.648 -13.236 256 HH12 ARG 578 HH12 ARG 578 -0.998 2.801 -14.711 257 HH21 ARG 578 HH21 ARG 578 -1.545 -0.646 -15.274 258 HH22 ARG 578 HH22 ARG 578 -1.732 0.917 -15.921 259 H GLN 579 HN GLN 579 2.740 -1.857 -8.150 260 HA GLN 579 HA GLN 579 0.790 -3.871 -8.348 261 HB2 GLN 579 HB2 GLN 579 3.600 -3.789 -7.520 262 HB3 GLN 579 HB1 GLN 579 2.633 -5.030 -6.727 263 HG2 GLN 579 HG2 GLN 579 2.560 -4.658 -9.688 264 HG3 GLN 579 HG1 GLN 579 3.813 -5.622 -8.920 265 HE21 GLN 579 HE21 GLN 579 0.640 -5.640 -7.442 266 HE22 GLN 579 HE22 GLN 579 0.181 -7.193 -7.972 267 H LEU 580 HN LEU 580 1.829 -1.910 -5.691 268 HA LEU 580 HA LEU 580 0.630 -3.281 -3.596 269 HB2 LEU 580 HB2 LEU 580 2.191 -1.233 -3.639 270 HB3 LEU 580 HB1 LEU 580 0.752 -0.284 -3.876 271 HG LEU 580 HG LEU 580 1.265 -1.994 -1.433 272 HD11 LEU 580 HD11 LEU 580 1.693 0.956 -1.864 273 HD12 LEU 580 HD12 LEU 580 2.933 -0.275 -1.675 274 HD13 LEU 580 HD13 LEU 580 1.855 0.100 -0.326 275 HD21 LEU 580 HD21 LEU 580 -0.712 0.245 -1.917 276 HD22 LEU 580 HD22 LEU 580 -0.477 -0.630 -0.407 277 HD23 LEU 580 HD23 LEU 580 -1.099 -1.471 -1.829 278 H SER 581 HN SER 581 -0.719 -0.978 -5.928 279 HA SER 581 HA SER 581 -3.295 -0.692 -4.799 280 HB2 SER 581 HB2 SER 581 -2.512 -0.585 -7.726 281 HB3 SER 581 HB1 SER 581 -3.930 0.157 -6.989 282 HG SER 581 HG SER 581 -1.223 0.826 -6.386 283 H LEU 582 HN LEU 582 -1.876 -2.961 -7.049 284 HA LEU 582 HA LEU 582 -4.276 -4.347 -7.733 285 HB2 LEU 582 HB2 LEU 582 -1.438 -5.331 -7.953 286 HB3 LEU 582 HB1 LEU 582 -2.831 -5.911 -8.842 287 HG LEU 582 HG LEU 582 -1.530 -3.211 -9.147 288 HD11 LEU 582 HD11 LEU 582 -0.861 -4.031 -11.341 289 HD12 LEU 582 HD12 LEU 582 -1.559 -5.608 -10.970 290 HD13 LEU 582 HD13 LEU 582 -0.178 -5.011 -10.045 291 HD21 LEU 582 HD21 LEU 582 -3.913 -3.060 -9.565 292 HD22 LEU 582 HD22 LEU 582 -3.834 -4.447 -10.652 293 HD23 LEU 582 HD23 LEU 582 -3.016 -2.941 -11.079 294 H ASP 583 HN ASP 583 -1.603 -4.877 -5.498 295 HA ASP 583 HA ASP 583 -2.479 -7.394 -4.622 296 HB2 ASP 583 HB2 ASP 583 -0.560 -5.446 -3.356 297 HB3 ASP 583 HB1 ASP 583 -0.912 -7.024 -2.665 298 H ILE 584 HN ILE 584 -3.169 -4.182 -3.385 299 HA ILE 584 HA ILE 584 -4.687 -5.100 -1.163 300 HB ILE 584 HB ILE 584 -4.870 -2.531 -2.760 301 HG12 ILE 584 HG12 ILE 584 -3.719 -3.122 -0.039 302 HG13 ILE 584 HG11 ILE 584 -2.812 -2.762 -1.506 303 HG21 ILE 584 HG21 ILE 584 -7.054 -2.935 -1.764 304 HG22 ILE 584 HG22 ILE 584 -6.250 -1.588 -0.953 305 HG23 ILE 584 HG23 ILE 584 -6.309 -3.174 -0.184 306 HD11 ILE 584 HD11 ILE 584 -2.900 -0.839 -0.029 307 HD12 ILE 584 HD12 ILE 584 -4.665 -0.889 -0.060 308 HD13 ILE 584 HD13 ILE 584 -3.767 -0.512 -1.532 309 H ASN 585 HN ASN 585 -5.419 -4.532 -4.517 310 HA ASN 585 HA ASN 585 -8.232 -4.978 -4.369 311 HB2 ASN 585 HB2 ASN 585 -7.274 -3.723 -6.227 312 HB3 ASN 585 HB1 ASN 585 -6.280 -5.095 -6.685 313 HD21 ASN 585 HD21 ASN 585 -7.148 -6.678 -7.958 314 HD22 ASN 585 HD22 ASN 585 -8.744 -6.606 -8.594 315 H ARG 586 HN ARG 586 -5.480 -6.990 -4.560 316 HA ARG 586 HA ARG 586 -6.806 -9.405 -5.317 317 HB2 ARG 586 HB2 ARG 586 -4.111 -8.817 -4.149 318 HB3 ARG 586 HB1 ARG 586 -4.649 -10.463 -4.428 319 HG2 ARG 586 HG2 ARG 586 -4.849 -9.997 -6.815 320 HG3 ARG 586 HG1 ARG 586 -4.434 -8.308 -6.530 321 HD2 ARG 586 HD2 ARG 586 -2.221 -8.955 -5.765 322 HD3 ARG 586 HD1 ARG 586 -2.639 -10.658 -5.946 323 HE ARG 586 HE ARG 586 -3.084 -9.722 -8.397 324 HH11 ARG 586 HH11 ARG 586 -0.260 -9.061 -6.311 325 HH12 ARG 586 HH12 ARG 586 0.855 -9.215 -7.563 326 HH21 ARG 586 HH21 ARG 586 -1.551 -9.803 -10.098 327 HH22 ARG 586 HH22 ARG 586 0.128 -9.580 -9.799 328 H LEU 587 HN LEU 587 -6.536 -7.663 -2.389 329 HA LEU 587 HA LEU 587 -6.995 -9.979 -0.752 330 HB2 LEU 587 HB2 LEU 587 -7.037 -7.049 -0.047 331 HB3 LEU 587 HB1 LEU 587 -7.189 -8.360 1.098 332 HG LEU 587 HG LEU 587 -4.762 -7.598 -0.505 333 HD11 LEU 587 HD11 LEU 587 -5.350 -7.621 2.439 334 HD12 LEU 587 HD12 LEU 587 -5.137 -6.202 1.411 335 HD13 LEU 587 HD13 LEU 587 -3.779 -7.287 1.721 336 HD21 LEU 587 HD21 LEU 587 -4.851 -9.984 -0.455 337 HD22 LEU 587 HD22 LEU 587 -5.207 -9.987 1.278 338 HD23 LEU 587 HD23 LEU 587 -3.628 -9.444 0.699 339 HA PRO 588 HA PRO 588 -11.428 -9.568 -1.171 340 HB2 PRO 588 HB2 PRO 588 -12.027 -11.290 0.900 341 HB3 PRO 588 HB1 PRO 588 -11.695 -11.830 -0.747 342 HG2 PRO 588 HG2 PRO 588 -9.945 -11.849 1.647 343 HG3 PRO 588 HG1 PRO 588 -10.022 -12.995 0.297 344 HD2 PRO 588 HD2 PRO 588 -8.102 -11.080 0.610 345 HD3 PRO 588 HD1 PRO 588 -8.564 -11.762 -0.971 346 H GLY 589 HN GLY 589 -13.019 -8.575 0.105 347 HA2 GLY 589 HA2 GLY 589 -12.231 -6.386 1.528 348 HA3 GLY 589 HA1 GLY 589 -13.853 -7.054 1.628 349 H GLU 590 HN GLU 590 -13.030 -9.482 2.935 350 HA GLU 590 HA GLU 590 -13.101 -8.678 5.623 351 HB2 GLU 590 HB2 GLU 590 -13.970 -10.819 4.780 352 HB3 GLU 590 HB1 GLU 590 -12.330 -11.357 4.475 353 HG2 GLU 590 HG2 GLU 590 -11.812 -11.269 6.810 354 HG3 GLU 590 HG1 GLU 590 -13.410 -10.629 7.183 355 H LYS 591 HN LYS 591 -10.436 -9.487 3.520 356 HA LYS 591 HA LYS 591 -8.534 -9.503 5.757 357 HB2 LYS 591 HB2 LYS 591 -8.078 -10.092 2.824 358 HB3 LYS 591 HB1 LYS 591 -6.944 -10.377 4.136 359 HG2 LYS 591 HG2 LYS 591 -9.595 -11.769 3.780 360 HG3 LYS 591 HG1 LYS 591 -8.019 -12.445 3.373 361 HD2 LYS 591 HD2 LYS 591 -7.365 -12.316 5.722 362 HD3 LYS 591 HD1 LYS 591 -8.925 -11.599 6.123 363 HE2 LYS 591 HE2 LYS 591 -10.078 -13.604 5.405 364 HE3 LYS 591 HE1 LYS 591 -8.557 -14.332 4.898 365 HZ1 LYS 591 HZ1 LYS 591 -9.375 -15.108 7.081 366 HZ2 LYS 591 HZ2 LYS 591 -9.165 -13.551 7.704 367 HZ3 LYS 591 HZ3 LYS 591 -7.841 -14.423 7.158 368 H LEU 592 HN LEU 592 -9.827 -7.543 3.355 369 HA LEU 592 HA LEU 592 -7.728 -5.812 2.672 370 HB2 LEU 592 HB2 LEU 592 -10.165 -6.511 1.903 371 HB3 LEU 592 HB1 LEU 592 -10.554 -5.039 2.737 372 HG LEU 592 HG LEU 592 -8.713 -5.297 0.376 373 HD11 LEU 592 HD11 LEU 592 -11.491 -4.215 0.666 374 HD12 LEU 592 HD12 LEU 592 -11.017 -5.719 -0.117 375 HD13 LEU 592 HD13 LEU 592 -10.527 -4.168 -0.814 376 HD21 LEU 592 HD21 LEU 592 -9.732 -2.842 1.802 377 HD22 LEU 592 HD22 LEU 592 -8.755 -2.848 0.328 378 HD23 LEU 592 HD23 LEU 592 -8.076 -3.441 1.849 379 H GLY 593 HN GLY 593 -10.076 -6.081 5.243 380 HA2 GLY 593 HA2 GLY 593 -10.516 -3.489 6.048 381 HA3 GLY 593 HA1 GLY 593 -10.560 -4.865 7.128 382 H ARG 594 HN ARG 594 -7.746 -5.472 6.821 383 HA ARG 594 HA ARG 594 -6.873 -3.693 8.859 384 HB2 ARG 594 HB2 ARG 594 -6.148 -5.899 9.125 385 HB3 ARG 594 HB1 ARG 594 -5.520 -6.011 7.499 386 HG2 ARG 594 HG2 ARG 594 -3.750 -5.907 9.155 387 HG3 ARG 594 HG1 ARG 594 -3.702 -4.521 8.069 388 HD2 ARG 594 HD2 ARG 594 -4.768 -3.156 9.720 389 HD3 ARG 594 HD1 ARG 594 -4.945 -4.551 10.784 390 HE ARG 594 HE ARG 594 -2.279 -4.419 10.233 391 HH11 ARG 594 HH11 ARG 594 -4.567 -2.166 11.778 392 HH12 ARG 594 HH12 ARG 594 -3.327 -1.259 12.515 393 HH21 ARG 594 HH21 ARG 594 -0.633 -3.138 11.306 394 HH22 ARG 594 HH22 ARG 594 -1.116 -1.817 12.268 395 H VAL 595 HN VAL 595 -6.068 -4.050 5.436 396 HA VAL 595 HA VAL 595 -3.975 -2.170 5.639 397 HB VAL 595 HB VAL 595 -4.049 -3.829 3.764 398 HG11 VAL 595 HG11 VAL 595 -6.222 -2.141 2.614 399 HG12 VAL 595 HG12 VAL 595 -6.352 -3.805 3.185 400 HG13 VAL 595 HG13 VAL 595 -5.350 -3.429 1.780 401 HG21 VAL 595 HG21 VAL 595 -3.870 -0.960 2.892 402 HG22 VAL 595 HG22 VAL 595 -3.222 -2.341 2.007 403 HG23 VAL 595 HG23 VAL 595 -2.575 -1.928 3.595 404 H VAL 596 HN VAL 596 -7.378 -1.915 5.068 405 HA VAL 596 HA VAL 596 -7.490 0.789 4.245 406 HB VAL 596 HB VAL 596 -9.593 -0.427 6.064 407 HG11 VAL 596 HG11 VAL 596 -9.828 1.390 3.692 408 HG12 VAL 596 HG12 VAL 596 -9.952 1.905 5.384 409 HG13 VAL 596 HG13 VAL 596 -11.160 0.817 4.669 410 HG21 VAL 596 HG21 VAL 596 -9.096 -2.150 4.413 411 HG22 VAL 596 HG22 VAL 596 -9.349 -0.987 3.112 412 HG23 VAL 596 HG23 VAL 596 -10.691 -1.456 4.149 413 H HIS 597 HN HIS 597 -7.194 -0.723 7.427 414 HA HIS 597 HA HIS 597 -7.528 1.718 8.876 415 HB2 HIS 597 HB2 HIS 597 -6.704 -1.057 9.672 416 HB3 HIS 597 HB1 HIS 597 -6.631 0.284 10.806 417 HD1 HIS 597 HD1 HIS 597 -9.086 -1.979 9.048 418 HD2 HIS 597 HD2 HIS 597 -9.086 1.228 11.681 419 HE1 HIS 597 HE1 HIS 597 -11.383 -1.904 10.040 420 H ILE 598 HN ILE 598 -4.834 0.008 7.496 421 HA ILE 598 HA ILE 598 -2.765 1.133 9.054 422 HB ILE 598 HB ILE 598 -2.620 0.126 6.189 423 HG12 ILE 598 HG12 ILE 598 -1.997 -1.284 8.795 424 HG13 ILE 598 HG11 ILE 598 -3.442 -1.544 7.829 425 HG21 ILE 598 HG21 ILE 598 -0.214 -0.150 6.650 426 HG22 ILE 598 HG22 ILE 598 -0.442 0.571 8.246 427 HG23 ILE 598 HG23 ILE 598 -0.705 1.541 6.795 428 HD11 ILE 598 HD11 ILE 598 -0.606 -2.166 7.012 429 HD12 ILE 598 HD12 ILE 598 -2.027 -2.363 5.990 430 HD13 ILE 598 HD13 ILE 598 -1.873 -3.320 7.456 431 H ILE 599 HN ILE 599 -4.389 2.315 6.135 432 HA ILE 599 HA ILE 599 -2.702 4.574 5.818 433 HB ILE 599 HB ILE 599 -5.630 4.276 5.016 434 HG12 ILE 599 HG12 ILE 599 -4.570 4.473 2.646 435 HG13 ILE 599 HG11 ILE 599 -3.071 4.051 3.453 436 HG21 ILE 599 HG21 ILE 599 -5.260 6.585 5.389 437 HG22 ILE 599 HG22 ILE 599 -5.371 6.315 3.646 438 HG23 ILE 599 HG23 ILE 599 -3.796 6.570 4.415 439 HD11 ILE 599 HD11 ILE 599 -4.068 1.958 4.185 440 HD12 ILE 599 HD12 ILE 599 -4.121 2.136 2.430 441 HD13 ILE 599 HD13 ILE 599 -5.576 2.406 3.389 442 H GLN 600 HN GLN 600 -5.598 3.998 7.682 443 HA GLN 600 HA GLN 600 -6.151 6.631 8.491 444 HB2 GLN 600 HB2 GLN 600 -6.811 4.141 10.023 445 HB3 GLN 600 HB1 GLN 600 -7.614 5.702 10.130 446 HG2 GLN 600 HG2 GLN 600 -8.114 5.438 7.694 447 HG3 GLN 600 HG1 GLN 600 -7.636 3.755 7.875 448 HE21 GLN 600 HE21 GLN 600 -9.977 6.123 8.583 449 HE22 GLN 600 HE22 GLN 600 -11.165 5.063 9.262 450 H SER 601 HN SER 601 -3.933 4.294 9.721 451 HA SER 601 HA SER 601 -3.473 5.249 12.277 452 HB2 SER 601 HB2 SER 601 -1.512 4.098 10.316 453 HB3 SER 601 HB1 SER 601 -1.294 4.140 12.071 454 HG SER 601 HG SER 601 -3.591 3.047 11.781 455 H ARG 602 HN ARG 602 -2.255 6.390 9.167 456 HA ARG 602 HA ARG 602 -0.757 8.509 10.543 457 HB2 ARG 602 HB2 ARG 602 0.400 7.164 8.787 458 HB3 ARG 602 HB1 ARG 602 -0.757 7.790 7.618 459 HG2 ARG 602 HG2 ARG 602 -0.002 10.104 8.455 460 HG3 ARG 602 HG1 ARG 602 1.384 9.235 9.101 461 HD2 ARG 602 HD2 ARG 602 1.826 8.337 6.857 462 HD3 ARG 602 HD1 ARG 602 0.484 9.299 6.236 463 HE ARG 602 HE ARG 602 2.855 10.438 7.521 464 HH11 ARG 602 HH11 ARG 602 0.175 10.915 5.260 465 HH12 ARG 602 HH12 ARG 602 0.982 11.980 4.227 466 HH21 ARG 602 HH21 ARG 602 4.027 11.990 6.130 467 HH22 ARG 602 HH22 ARG 602 3.249 12.647 4.783 468 H GLU 603 HN GLU 603 -3.394 7.844 8.369 469 HA GLU 603 HA GLU 603 -3.777 10.690 7.813 470 HB2 GLU 603 HB2 GLU 603 -4.747 8.256 6.382 471 HB3 GLU 603 HB1 GLU 603 -5.194 9.872 5.908 472 HG2 GLU 603 HG2 GLU 603 -2.457 8.594 5.830 473 HG3 GLU 603 HG1 GLU 603 -3.471 8.999 4.450 474 HA PRO 604 HA PRO 604 -7.552 9.852 10.152 475 HB2 PRO 604 HB2 PRO 604 -7.758 12.181 11.430 476 HB3 PRO 604 HB1 PRO 604 -6.457 11.011 11.817 477 HG2 PRO 604 HG2 PRO 604 -6.287 13.417 10.059 478 HG3 PRO 604 HG1 PRO 604 -5.253 13.000 11.443 479 HD2 PRO 604 HD2 PRO 604 -4.633 12.384 8.844 480 HD3 PRO 604 HD1 PRO 604 -4.079 11.419 10.228 481 H SER 605 HN SER 605 -6.475 11.768 7.682 482 HA SER 605 HA SER 605 -8.748 13.217 6.909 483 HB2 SER 605 HB2 SER 605 -7.231 13.262 4.801 484 HB3 SER 605 HB1 SER 605 -6.656 14.030 6.286 485 HG SER 605 HG SER 605 -5.623 11.926 4.957 486 H LEU 606 HN LEU 606 -7.563 9.986 6.564 487 HA LEU 606 HA LEU 606 -9.160 9.212 4.353 488 HB2 LEU 606 HB2 LEU 606 -7.193 7.945 5.099 489 HB3 LEU 606 HB1 LEU 606 -7.948 7.538 6.603 490 HG LEU 606 HG LEU 606 -7.837 5.629 5.007 491 HD11 LEU 606 HD11 LEU 606 -10.134 4.846 5.050 492 HD12 LEU 606 HD12 LEU 606 -10.690 6.478 5.422 493 HD13 LEU 606 HD13 LEU 606 -9.715 5.609 6.587 494 HD21 LEU 606 HD21 LEU 606 -9.608 7.305 3.249 495 HD22 LEU 606 HD22 LEU 606 -9.173 5.619 2.971 496 HD23 LEU 606 HD23 LEU 606 -7.927 6.867 2.937 497 H ARG 607 HN ARG 607 -9.583 9.075 7.844 498 HA ARG 607 HA ARG 607 -12.236 8.167 7.927 499 HB2 ARG 607 HB2 ARG 607 -10.866 10.143 9.742 500 HB3 ARG 607 HB1 ARG 607 -12.391 9.349 10.089 501 HG2 ARG 607 HG2 ARG 607 -11.273 7.204 10.104 502 HG3 ARG 607 HG1 ARG 607 -9.741 7.996 9.717 503 HD2 ARG 607 HD2 ARG 607 -9.927 7.561 12.142 504 HD3 ARG 607 HD1 ARG 607 -9.905 9.294 11.762 505 HE ARG 607 HE ARG 607 -12.549 8.511 11.815 506 HH11 ARG 607 HH11 ARG 607 -9.937 8.564 14.215 507 HH12 ARG 607 HH12 ARG 607 -10.948 8.983 15.507 508 HH21 ARG 607 HH21 ARG 607 -13.941 9.101 13.607 509 HH22 ARG 607 HH22 ARG 607 -13.260 9.298 15.148 510 H ASP 608 HN ASP 608 -10.865 11.308 7.395 511 HA ASP 608 HA ASP 608 -13.266 12.848 7.415 512 HB2 ASP 608 HB2 ASP 608 -11.029 13.855 7.689 513 HB3 ASP 608 HB1 ASP 608 -10.651 13.430 6.025 514 H SER 609 HN SER 609 -11.637 11.002 5.015 515 HA SER 609 HA SER 609 -13.458 11.644 2.828 516 HB2 SER 609 HB2 SER 609 -11.373 9.455 3.171 517 HB3 SER 609 HB1 SER 609 -12.123 9.935 1.652 518 HG SER 609 HG SER 609 -10.437 11.492 3.308 519 H ASN 610 HN ASN 610 -13.869 8.923 1.985 520 HA ASN 610 HA ASN 610 -15.675 8.169 4.128 521 HB2 ASN 610 HB2 ASN 610 -15.466 6.916 1.397 522 HB3 ASN 610 HB1 ASN 610 -16.631 6.491 2.619 523 HD21 ASN 610 HD21 ASN 610 -18.315 7.914 3.141 524 HD22 ASN 610 HD22 ASN 610 -18.780 9.172 2.066 525 HA PRO 611 HA PRO 611 -12.732 5.057 5.313 526 HB2 PRO 611 HB2 PRO 611 -14.008 4.242 7.515 527 HB3 PRO 611 HB1 PRO 611 -13.260 5.843 7.456 528 HG2 PRO 611 HG2 PRO 611 -16.139 5.091 7.108 529 HG3 PRO 611 HG1 PRO 611 -15.447 6.443 8.020 530 HD2 PRO 611 HD2 PRO 611 -16.458 6.665 5.410 531 HD3 PRO 611 HD1 PRO 611 -15.243 7.751 6.136 532 H ASP 612 HN ASP 612 -15.793 4.764 4.193 533 HA ASP 612 HA ASP 612 -16.401 1.971 4.573 534 HB2 ASP 612 HB2 ASP 612 -18.060 3.798 4.209 535 HB3 ASP 612 HB1 ASP 612 -17.499 3.913 2.561 536 H GLU 613 HN GLU 613 -14.963 3.949 2.173 537 HA GLU 613 HA GLU 613 -14.236 1.610 0.608 538 HB2 GLU 613 HB2 GLU 613 -14.368 3.156 -1.402 539 HB3 GLU 613 HB1 GLU 613 -15.898 2.681 -0.681 540 HG2 GLU 613 HG2 GLU 613 -15.621 4.980 0.598 541 HG3 GLU 613 HG1 GLU 613 -14.552 5.307 -0.780 542 H ILE 614 HN ILE 614 -12.127 1.420 0.211 543 HA ILE 614 HA ILE 614 -10.479 3.180 1.759 544 HB ILE 614 HB ILE 614 -10.050 0.727 1.753 545 HG12 ILE 614 HG12 ILE 614 -7.725 2.375 0.713 546 HG13 ILE 614 HG11 ILE 614 -8.218 2.240 2.393 547 HG21 ILE 614 HG21 ILE 614 -10.553 0.193 -0.505 548 HG22 ILE 614 HG22 ILE 614 -8.878 -0.287 -0.180 549 HG23 ILE 614 HG23 ILE 614 -9.229 1.200 -1.079 550 HD11 ILE 614 HD11 ILE 614 -7.624 -0.149 2.373 551 HD12 ILE 614 HD12 ILE 614 -6.251 0.853 1.921 552 HD13 ILE 614 HD13 ILE 614 -7.155 -0.010 0.682 553 H GLU 615 HN GLU 615 -9.425 4.829 1.161 554 HA GLU 615 HA GLU 615 -8.798 5.214 -1.649 555 HB2 GLU 615 HB2 GLU 615 -9.536 7.268 0.446 556 HB3 GLU 615 HB1 GLU 615 -8.996 7.659 -1.183 557 HG2 GLU 615 HG2 GLU 615 -10.914 6.471 -2.114 558 HG3 GLU 615 HG1 GLU 615 -11.454 6.063 -0.493 559 H ILE 616 HN ILE 616 -6.741 4.651 -1.775 560 HA ILE 616 HA ILE 616 -4.983 5.169 0.477 561 HB ILE 616 HB ILE 616 -4.189 3.805 -2.115 562 HG12 ILE 616 HG12 ILE 616 -4.341 1.651 -0.640 563 HG13 ILE 616 HG11 ILE 616 -5.471 2.588 0.323 564 HG21 ILE 616 HG21 ILE 616 -2.401 2.832 -0.758 565 HG22 ILE 616 HG22 ILE 616 -2.973 3.752 0.634 566 HG23 ILE 616 HG23 ILE 616 -2.349 4.596 -0.783 567 HD11 ILE 616 HD11 ILE 616 -5.774 1.928 -2.605 568 HD12 ILE 616 HD12 ILE 616 -6.920 2.856 -1.636 569 HD13 ILE 616 HD13 ILE 616 -6.629 1.159 -1.269 570 H ASP 617 HN ASP 617 -3.708 6.890 0.500 571 HA ASP 617 HA ASP 617 -3.543 8.447 -1.915 572 HB2 ASP 617 HB2 ASP 617 -4.126 9.716 0.001 573 HB3 ASP 617 HB1 ASP 617 -2.802 9.041 0.940 574 H PHE 618 HN PHE 618 -2.183 7.273 -3.167 575 HA PHE 618 HA PHE 618 0.376 6.369 -2.259 576 HB2 PHE 618 HB2 PHE 618 -0.834 6.564 -5.004 577 HB3 PHE 618 HB1 PHE 618 0.783 5.949 -4.711 578 HD1 PHE 618 HD1 PHE 618 -2.774 5.249 -4.554 579 HD2 PHE 618 HD2 PHE 618 1.096 3.874 -3.459 580 HE1 PHE 618 HE1 PHE 618 -3.679 2.984 -4.163 581 HE2 PHE 618 HE2 PHE 618 0.201 1.636 -3.074 582 HZ PHE 618 HZ PHE 618 -2.193 1.184 -3.427 583 H GLU 619 HN GLU 619 -0.678 9.384 -2.920 584 HA GLU 619 HA GLU 619 1.709 10.220 -4.336 585 HB2 GLU 619 HB2 GLU 619 -0.850 11.689 -3.773 586 HB3 GLU 619 HB1 GLU 619 0.481 12.280 -4.768 587 HG2 GLU 619 HG2 GLU 619 0.183 10.449 -6.326 588 HG3 GLU 619 HG1 GLU 619 -1.082 9.766 -5.318 589 H THR 620 HN THR 620 -0.121 11.154 -1.365 590 HA THR 620 HA THR 620 2.397 12.371 -0.588 591 HB THR 620 HB THR 620 0.811 13.684 1.091 592 HG1 THR 620 HG1 THR 620 -1.034 12.544 0.045 593 HG21 THR 620 HG21 THR 620 1.235 14.390 -1.807 594 HG22 THR 620 HG22 THR 620 2.357 14.702 -0.485 595 HG23 THR 620 HG23 THR 620 0.802 15.541 -0.541 596 H LEU 621 HN LEU 621 0.965 9.639 0.019 597 HA LEU 621 HA LEU 621 1.212 9.541 2.847 598 HB2 LEU 621 HB2 LEU 621 0.958 7.459 0.771 599 HB3 LEU 621 HB1 LEU 621 1.656 7.003 2.326 600 HG LEU 621 HG LEU 621 -1.088 8.232 1.997 601 HD11 LEU 621 HD11 LEU 621 -0.251 5.372 2.506 602 HD12 LEU 621 HD12 LEU 621 -0.950 5.971 1.000 603 HD13 LEU 621 HD13 LEU 621 -1.911 5.974 2.483 604 HD21 LEU 621 HD21 LEU 621 -1.347 7.458 4.290 605 HD22 LEU 621 HD22 LEU 621 -0.050 8.653 4.144 606 HD23 LEU 621 HD23 LEU 621 0.335 6.917 4.266 607 H LYS 622 HN LYS 622 2.629 8.493 4.042 608 HA LYS 622 HA LYS 622 5.286 9.403 3.646 609 HB2 LYS 622 HB2 LYS 622 3.877 9.465 5.677 610 HB3 LYS 622 HB1 LYS 622 3.975 7.727 5.750 611 HG2 LYS 622 HG2 LYS 622 6.334 7.864 6.222 612 HG3 LYS 622 HG1 LYS 622 6.269 9.633 6.046 613 HD2 LYS 622 HD2 LYS 622 4.639 9.788 7.793 614 HD3 LYS 622 HD1 LYS 622 4.597 8.041 7.971 615 HE2 LYS 622 HE2 LYS 622 6.923 8.093 8.732 616 HE3 LYS 622 HE1 LYS 622 6.927 9.855 8.565 617 HZ1 LYS 622 HZ1 LYS 622 5.069 8.323 10.281 618 HZ2 LYS 622 HZ2 LYS 622 5.168 10.006 10.155 619 HZ3 LYS 622 HZ3 LYS 622 6.422 9.141 10.867 620 HA PRO 623 HA PRO 623 7.192 5.759 1.758 621 HB2 PRO 623 HB2 PRO 623 9.421 5.773 3.594 622 HB3 PRO 623 HB1 PRO 623 9.364 6.428 1.963 623 HG2 PRO 623 HG2 PRO 623 9.028 7.782 4.568 624 HG3 PRO 623 HG1 PRO 623 9.643 8.423 3.038 625 HD2 PRO 623 HD2 PRO 623 7.244 9.101 3.977 626 HD3 PRO 623 HD1 PRO 623 7.511 8.883 2.235 627 H THR 624 HN THR 624 7.154 5.946 5.292 628 HA THR 624 HA THR 624 7.604 3.239 5.814 629 HB THR 624 HB THR 624 6.876 4.046 8.100 630 HG1 THR 624 HG1 THR 624 5.682 5.802 7.894 631 HG21 THR 624 HG21 THR 624 9.214 4.091 7.490 632 HG22 THR 624 HG22 THR 624 8.838 5.607 8.301 633 HG23 THR 624 HG23 THR 624 8.981 5.553 6.548 634 H THR 625 HN THR 625 4.703 5.333 5.757 635 HA THR 625 HA THR 625 2.887 3.442 6.729 636 HB THR 625 HB THR 625 2.303 5.764 4.903 637 HG1 THR 625 HG1 THR 625 3.214 5.769 7.597 638 HG21 THR 625 HG21 THR 625 0.717 4.489 7.154 639 HG22 THR 625 HG22 THR 625 0.408 4.271 5.439 640 HG23 THR 625 HG23 THR 625 0.180 5.856 6.179 641 H LEU 626 HN LEU 626 3.624 4.619 3.433 642 HA LEU 626 HA LEU 626 1.934 2.978 2.021 643 HB2 LEU 626 HB2 LEU 626 4.594 4.147 1.287 644 HB3 LEU 626 HB1 LEU 626 3.688 3.139 0.173 645 HG LEU 626 HG LEU 626 2.548 5.629 1.385 646 HD11 LEU 626 HD11 LEU 626 4.565 6.203 0.082 647 HD12 LEU 626 HD12 LEU 626 3.098 6.739 -0.735 648 HD13 LEU 626 HD13 LEU 626 3.931 5.287 -1.287 649 HD21 LEU 626 HD21 LEU 626 1.806 3.972 -1.022 650 HD22 LEU 626 HD22 LEU 626 1.017 5.469 -0.522 651 HD23 LEU 626 HD23 LEU 626 0.925 4.046 0.508 652 H ARG 627 HN ARG 627 5.245 2.369 3.095 653 HA ARG 627 HA ARG 627 5.551 -0.136 1.862 654 HB2 ARG 627 HB2 ARG 627 7.427 1.261 2.687 655 HB3 ARG 627 HB1 ARG 627 6.927 0.918 4.335 656 HG2 ARG 627 HG2 ARG 627 8.807 -0.472 3.754 657 HG3 ARG 627 HG1 ARG 627 7.368 -1.475 3.938 658 HD2 ARG 627 HD2 ARG 627 8.676 -2.160 1.989 659 HD3 ARG 627 HD1 ARG 627 7.097 -1.549 1.499 660 HE ARG 627 HE ARG 627 8.939 0.553 1.445 661 HH11 ARG 627 HH11 ARG 627 8.107 -2.384 -0.430 662 HH12 ARG 627 HH12 ARG 627 8.819 -1.767 -1.851 663 HH21 ARG 627 HH21 ARG 627 9.890 1.313 -0.642 664 HH22 ARG 627 HH22 ARG 627 9.793 0.257 -1.975 665 H GLU 628 HN GLU 628 4.110 0.859 4.909 666 HA GLU 628 HA GLU 628 4.062 -1.685 6.153 667 HB2 GLU 628 HB2 GLU 628 3.688 0.632 7.252 668 HB3 GLU 628 HB1 GLU 628 2.047 0.529 6.638 669 HG2 GLU 628 HG2 GLU 628 1.998 -0.161 8.886 670 HG3 GLU 628 HG1 GLU 628 1.758 -1.586 7.887 671 H LEU 629 HN LEU 629 1.920 0.060 4.012 672 HA LEU 629 HA LEU 629 -0.339 -1.621 3.985 673 HB2 LEU 629 HB2 LEU 629 0.829 -0.250 1.566 674 HB3 LEU 629 HB1 LEU 629 -0.840 -0.701 1.827 675 HG LEU 629 HG LEU 629 0.647 1.484 3.277 676 HD11 LEU 629 HD11 LEU 629 -0.787 2.982 2.016 677 HD12 LEU 629 HD12 LEU 629 -1.504 1.605 1.184 678 HD13 LEU 629 HD13 LEU 629 0.197 1.992 0.935 679 HD21 LEU 629 HD21 LEU 629 -1.059 0.466 4.666 680 HD22 LEU 629 HD22 LEU 629 -2.247 0.678 3.376 681 HD23 LEU 629 HD23 LEU 629 -1.525 2.089 4.160 682 H GLU 630 HN GLU 630 2.480 -1.511 1.870 683 HA GLU 630 HA GLU 630 1.974 -3.735 0.275 684 HB2 GLU 630 HB2 GLU 630 3.654 -2.005 -0.222 685 HB3 GLU 630 HB1 GLU 630 4.642 -2.591 1.109 686 HG2 GLU 630 HG2 GLU 630 4.635 -4.828 -0.087 687 HG3 GLU 630 HG1 GLU 630 3.982 -3.964 -1.462 688 H ARG 631 HN ARG 631 3.790 -3.362 3.217 689 HA ARG 631 HA ARG 631 4.950 -5.883 3.548 690 HB2 ARG 631 HB2 ARG 631 5.425 -3.732 4.727 691 HB3 ARG 631 HB1 ARG 631 3.945 -3.949 5.622 692 HG2 ARG 631 HG2 ARG 631 4.889 -5.900 6.722 693 HG3 ARG 631 HG1 ARG 631 6.381 -5.715 5.779 694 HD2 ARG 631 HD2 ARG 631 6.590 -3.405 6.639 695 HD3 ARG 631 HD1 ARG 631 5.193 -3.686 7.664 696 HE ARG 631 HE ARG 631 7.174 -5.625 8.153 697 HH11 ARG 631 HH11 ARG 631 6.263 -2.257 8.870 698 HH12 ARG 631 HH12 ARG 631 7.442 -2.085 10.092 699 HH21 ARG 631 HH21 ARG 631 8.751 -5.337 9.935 700 HH22 ARG 631 HH22 ARG 631 8.821 -3.826 10.707 701 H TYR 632 HN TYR 632 1.770 -4.703 4.334 702 HA TYR 632 HA TYR 632 1.110 -7.103 5.768 703 HB2 TYR 632 HB2 TYR 632 0.074 -5.199 6.645 704 HB3 TYR 632 HB1 TYR 632 -0.523 -4.675 5.067 705 HD1 TYR 632 HD1 TYR 632 -2.643 -5.280 4.370 706 HD2 TYR 632 HD2 TYR 632 -0.867 -7.422 7.581 707 HE1 TYR 632 HE1 TYR 632 -4.714 -6.482 4.677 708 HE2 TYR 632 HE2 TYR 632 -2.968 -8.658 7.932 709 HH TYR 632 HH TYR 632 -5.557 -8.435 5.644 710 H VAL 633 HN VAL 633 0.078 -5.616 2.709 711 HA VAL 633 HA VAL 633 -1.610 -7.685 1.951 712 HB VAL 633 HB VAL 633 -1.483 -6.919 -0.348 713 HG11 VAL 633 HG11 VAL 633 -2.775 -5.531 1.176 714 HG12 VAL 633 HG12 VAL 633 -2.049 -4.568 -0.107 715 HG13 VAL 633 HG13 VAL 633 -1.335 -4.562 1.503 716 HG21 VAL 633 HG21 VAL 633 0.881 -6.658 -0.668 717 HG22 VAL 633 HG22 VAL 633 0.943 -5.373 0.516 718 HG23 VAL 633 HG23 VAL 633 0.123 -5.099 -1.030 719 H LYS 634 HN LYS 634 1.881 -7.409 1.530 720 HA LYS 634 HA LYS 634 2.141 -9.711 -0.082 721 HB2 LYS 634 HB2 LYS 634 4.562 -9.451 0.222 722 HB3 LYS 634 HB1 LYS 634 3.820 -7.850 0.213 723 HG2 LYS 634 HG2 LYS 634 4.025 -7.668 2.572 724 HG3 LYS 634 HG1 LYS 634 4.632 -9.312 2.691 725 HD2 LYS 634 HD2 LYS 634 6.488 -7.717 2.832 726 HD3 LYS 634 HD1 LYS 634 6.616 -8.656 1.347 727 HE2 LYS 634 HE2 LYS 634 5.699 -6.822 0.061 728 HE3 LYS 634 HE1 LYS 634 5.402 -5.898 1.528 729 HZ1 LYS 634 HZ1 LYS 634 7.335 -5.102 0.421 730 HZ2 LYS 634 HZ2 LYS 634 8.052 -6.623 0.390 731 HZ3 LYS 634 HZ3 LYS 634 7.834 -5.818 1.862 732 H SER 635 HN SER 635 2.000 -9.240 3.388 733 HA SER 635 HA SER 635 2.745 -11.879 4.115 734 HB2 SER 635 HB2 SER 635 0.985 -9.915 5.600 735 HB3 SER 635 HB1 SER 635 1.799 -11.319 6.291 736 HG SER 635 HG SER 635 3.059 -9.036 5.135 737 H CYS 636 HN CYS 636 -0.369 -10.246 3.667 738 HA CYS 636 HA CYS 636 -1.972 -12.414 4.518 739 HB2 CYS 636 HB2 CYS 636 -2.555 -9.973 4.605 740 HB3 CYS 636 HB1 CYS 636 -2.769 -10.014 2.863 741 HG CYS 636 HG CYS 636 -4.567 -12.083 4.866 742 H LEU 637 HN LEU 637 -0.772 -11.359 1.407 743 HA LEU 637 HA LEU 637 -2.411 -13.111 -0.134 744 HB2 LEU 637 HB2 LEU 637 -0.047 -11.416 -0.673 745 HB3 LEU 637 HB1 LEU 637 -0.630 -12.496 -1.925 746 HG LEU 637 HG LEU 637 -2.195 -10.256 -0.623 747 HD11 LEU 637 HD11 LEU 637 -0.989 -10.482 -3.365 748 HD12 LEU 637 HD12 LEU 637 -0.405 -9.452 -2.057 749 HD13 LEU 637 HD13 LEU 637 -1.987 -9.157 -2.776 750 HD21 LEU 637 HD21 LEU 637 -3.833 -10.681 -2.394 751 HD22 LEU 637 HD22 LEU 637 -3.659 -12.066 -1.326 752 HD23 LEU 637 HD23 LEU 637 -2.900 -12.079 -2.922 753 H GLN 638 HN GLN 638 0.138 -13.769 1.865 754 HA GLN 638 HA GLN 638 0.825 -16.091 0.250 755 HB2 GLN 638 HB2 GLN 638 2.408 -14.619 2.276 756 HB3 GLN 638 HB1 GLN 638 2.916 -16.199 1.667 757 HG2 GLN 638 HG2 GLN 638 2.377 -13.793 -0.025 758 HG3 GLN 638 HG1 GLN 638 4.003 -14.263 0.506 759 HE21 GLN 638 HE21 GLN 638 1.285 -15.017 -1.548 760 HE22 GLN 638 HE22 GLN 638 2.108 -16.157 -2.537 761 H LYS 639 HN LYS 639 0.949 -15.198 3.686 762 HA LYS 639 HA LYS 639 -0.844 -17.283 4.416 763 HB2 LYS 639 HB2 LYS 639 1.247 -18.565 4.226 764 HB3 LYS 639 HB1 LYS 639 2.071 -17.388 5.240 765 HG2 LYS 639 HG2 LYS 639 1.562 -19.343 6.549 766 HG3 LYS 639 HG1 LYS 639 0.568 -17.999 7.107 767 HD2 LYS 639 HD2 LYS 639 -1.297 -18.877 5.720 768 HD3 LYS 639 HD1 LYS 639 -0.293 -20.265 5.316 769 HE2 LYS 639 HE2 LYS 639 -1.762 -20.885 7.113 770 HE3 LYS 639 HE1 LYS 639 -0.120 -20.790 7.734 771 HZ1 LYS 639 HZ1 LYS 639 -0.687 -18.565 8.695 772 HZ2 LYS 639 HZ2 LYS 639 -1.692 -19.777 9.252 773 HZ3 LYS 639 HZ3 LYS 639 -2.256 -18.733 8.099 774 H LYS 640 HN LYS 640 -1.902 -16.543 6.137 775 HA LYS 640 HA LYS 640 -1.250 -14.047 7.270 776 HB2 LYS 640 HB2 LYS 640 -3.550 -14.859 7.082 777 HB3 LYS 640 HB1 LYS 640 -3.187 -16.169 8.188 778 HG2 LYS 640 HG2 LYS 640 -4.395 -14.429 9.337 779 HG3 LYS 640 HG1 LYS 640 -2.754 -14.551 9.967 780 HD2 LYS 640 HD2 LYS 640 -2.084 -12.623 8.634 781 HD3 LYS 640 HD1 LYS 640 -3.701 -12.516 7.945 782 HE2 LYS 640 HE2 LYS 640 -2.988 -12.206 10.858 783 HE3 LYS 640 HE1 LYS 640 -3.385 -10.898 9.745 784 HZ1 LYS 640 HZ1 LYS 640 -5.310 -11.451 11.052 785 HZ2 LYS 640 HZ2 LYS 640 -5.208 -13.071 10.643 786 HZ3 LYS 640 HZ3 LYS 640 -5.595 -11.932 9.460 787 H GLN 641 HN GLN 641 0.546 -13.882 8.366 788 HA GLN 641 HA GLN 641 0.800 -14.690 10.982 789 HB2 GLN 641 HB2 GLN 641 2.765 -16.166 10.859 790 HB3 GLN 641 HB1 GLN 641 1.390 -16.921 10.070 791 HG2 GLN 641 HG2 GLN 641 2.297 -16.318 7.886 792 HG3 GLN 641 HG1 GLN 641 3.648 -15.509 8.676 793 HE21 GLN 641 HE21 GLN 641 5.253 -16.758 9.658 794 HE22 GLN 641 HE22 GLN 641 5.398 -18.435 9.359 795 H ARG 642 HN ARG 642 2.768 -13.758 11.844 796 HA ARG 642 HA ARG 642 3.669 -11.572 10.208 797 HB2 ARG 642 HB2 ARG 642 3.159 -11.186 12.602 798 HB3 ARG 642 HB1 ARG 642 4.397 -12.337 13.052 799 HG2 ARG 642 HG2 ARG 642 5.153 -10.042 13.399 800 HG3 ARG 642 HG1 ARG 642 6.126 -10.845 12.172 801 HD2 ARG 642 HD2 ARG 642 3.801 -9.048 11.488 802 HD3 ARG 642 HD1 ARG 642 5.438 -8.443 11.714 803 HE ARG 642 HE ARG 642 6.044 -10.079 9.896 804 HH11 ARG 642 HH11 ARG 642 2.867 -8.427 9.957 805 HH12 ARG 642 HH12 ARG 642 2.618 -8.632 8.294 806 HH21 ARG 642 HH21 ARG 642 5.642 -10.301 7.592 807 HH22 ARG 642 HH22 ARG 642 4.192 -9.716 6.939 808 H LYS 643 HN LYS 643 4.739 -12.635 8.620 809 HA LYS 643 HA LYS 643 7.184 -14.059 9.417 810 HB2 LYS 643 HB2 LYS 643 7.188 -15.057 7.208 811 HB3 LYS 643 HB1 LYS 643 5.648 -15.382 7.990 812 HG2 LYS 643 HG2 LYS 643 4.548 -13.710 6.628 813 HG3 LYS 643 HG1 LYS 643 6.091 -13.182 5.963 814 HD2 LYS 643 HD2 LYS 643 4.886 -15.929 5.579 815 HD3 LYS 643 HD1 LYS 643 4.773 -14.617 4.412 816 HE2 LYS 643 HE2 LYS 643 7.340 -15.933 5.355 817 HE3 LYS 643 HE1 LYS 643 6.529 -16.229 3.832 818 HZ1 LYS 643 HZ1 LYS 643 8.380 -14.743 3.539 819 HZ2 LYS 643 HZ2 LYS 643 7.811 -13.612 4.609 820 HZ3 LYS 643 HZ3 LYS 643 6.973 -13.922 3.172 821 HA PRO 644 HA PRO 644 9.295 -10.797 7.092 822 HB2 PRO 644 HB2 PRO 644 11.553 -12.666 6.881 823 HB3 PRO 644 HB1 PRO 644 11.496 -11.117 7.726 824 HG2 PRO 644 HG2 PRO 644 11.665 -13.491 9.028 825 HG3 PRO 644 HG1 PRO 644 10.848 -12.073 9.710 826 HD2 PRO 644 HD2 PRO 644 9.673 -14.491 8.405 827 HD3 PRO 644 HD1 PRO 644 9.111 -13.569 9.814 Start of MODEL 12 1 H1 LYS 290 HT1 LYS 290 -2.491 16.971 -9.824 2 H2 LYS 290 HT2 LYS 290 -0.825 17.212 -9.804 3 H3 LYS 290 HT3 LYS 290 -1.538 15.897 -8.993 4 HA LYS 290 HA LYS 290 -1.690 16.319 -11.897 5 HB2 LYS 290 HB2 LYS 290 -0.140 14.421 -12.129 6 HB3 LYS 290 HB1 LYS 290 0.629 15.744 -11.279 7 HG2 LYS 290 HG2 LYS 290 0.259 14.548 -9.141 8 HG3 LYS 290 HG1 LYS 290 -0.486 13.227 -10.038 9 HD2 LYS 290 HD2 LYS 290 1.607 12.915 -11.296 10 HD3 LYS 290 HD1 LYS 290 2.350 14.204 -10.357 11 HE2 LYS 290 HE2 LYS 290 1.259 11.635 -9.206 12 HE3 LYS 290 HE1 LYS 290 2.951 11.925 -9.580 13 HZ1 LYS 290 HZ1 LYS 290 2.578 12.265 -7.268 14 HZ2 LYS 290 HZ2 LYS 290 1.322 13.340 -7.527 15 HZ3 LYS 290 HZ3 LYS 290 2.887 13.774 -7.940 16 H VAL 291 HN VAL 291 -2.540 14.343 -12.967 17 HA VAL 291 HA VAL 291 -4.830 13.385 -11.607 18 HB VAL 291 HB VAL 291 -4.742 13.603 -14.088 19 HG11 VAL 291 HG11 VAL 291 -2.891 11.239 -14.033 20 HG12 VAL 291 HG12 VAL 291 -2.492 12.883 -14.532 21 HG13 VAL 291 HG13 VAL 291 -3.637 11.927 -15.475 22 HG21 VAL 291 HG21 VAL 291 -5.335 10.799 -13.143 23 HG22 VAL 291 HG22 VAL 291 -5.886 11.495 -14.667 24 HG23 VAL 291 HG23 VAL 291 -6.451 12.164 -13.139 25 H ALA 292 HN ALA 292 -5.239 11.502 -10.580 26 HA ALA 292 HA ALA 292 -3.037 10.138 -9.426 27 HB1 ALA 292 HB1 ALA 292 -4.752 8.795 -8.293 28 HB2 ALA 292 HB2 ALA 292 -5.988 9.510 -9.330 29 HB3 ALA 292 HB3 ALA 292 -5.107 10.520 -8.185 30 HA PRO 293 HA PRO 293 -2.816 7.204 -12.809 31 HB2 PRO 293 HB2 PRO 293 -0.463 6.124 -12.176 32 HB3 PRO 293 HB1 PRO 293 -0.570 7.784 -12.775 33 HG2 PRO 293 HG2 PRO 293 -0.225 6.799 -9.969 34 HG3 PRO 293 HG1 PRO 293 0.561 8.166 -10.778 35 HD2 PRO 293 HD2 PRO 293 -1.607 8.385 -9.083 36 HD3 PRO 293 HD1 PRO 293 -1.172 9.578 -10.327 37 H LEU 294 HN LEU 294 -3.503 6.586 -9.667 38 HA LEU 294 HA LEU 294 -3.833 3.710 -10.119 39 HB2 LEU 294 HB2 LEU 294 -2.694 5.024 -7.645 40 HB3 LEU 294 HB1 LEU 294 -3.269 3.369 -7.676 41 HG LEU 294 HG LEU 294 -0.973 4.401 -9.359 42 HD11 LEU 294 HD11 LEU 294 -0.941 2.785 -6.812 43 HD12 LEU 294 HD12 LEU 294 -0.449 4.474 -6.956 44 HD13 LEU 294 HD13 LEU 294 0.457 3.216 -7.789 45 HD21 LEU 294 HD21 LEU 294 -1.890 1.599 -8.733 46 HD22 LEU 294 HD22 LEU 294 -0.510 2.068 -9.729 47 HD23 LEU 294 HD23 LEU 294 -2.144 2.436 -10.267 48 H LYS 295 HN LYS 295 -5.628 2.844 -9.051 49 HA LYS 295 HA LYS 295 -7.721 4.719 -8.442 50 HB2 LYS 295 HB2 LYS 295 -8.153 2.542 -9.598 51 HB3 LYS 295 HB1 LYS 295 -7.620 1.698 -8.154 52 HG2 LYS 295 HG2 LYS 295 -10.015 1.678 -8.255 53 HG3 LYS 295 HG1 LYS 295 -9.507 2.705 -6.916 54 HD2 LYS 295 HD2 LYS 295 -9.876 4.691 -8.304 55 HD3 LYS 295 HD1 LYS 295 -10.356 3.664 -9.649 56 HE2 LYS 295 HE2 LYS 295 -11.753 3.836 -6.979 57 HE3 LYS 295 HE1 LYS 295 -12.300 4.599 -8.469 58 HZ1 LYS 295 HZ1 LYS 295 -12.567 2.390 -9.451 59 HZ2 LYS 295 HZ2 LYS 295 -13.470 2.523 -8.043 60 HZ3 LYS 295 HZ3 LYS 295 -12.044 1.665 -8.024 61 H ILE 296 HN ILE 296 -7.507 5.763 -6.564 62 HA ILE 296 HA ILE 296 -5.971 4.512 -4.457 63 HB ILE 296 HB ILE 296 -5.855 6.701 -3.411 64 HG12 ILE 296 HG12 ILE 296 -7.603 7.677 -5.683 65 HG13 ILE 296 HG11 ILE 296 -8.125 7.476 -4.011 66 HG21 ILE 296 HG21 ILE 296 -5.335 6.807 -6.385 67 HG22 ILE 296 HG22 ILE 296 -4.237 6.183 -5.149 68 HG23 ILE 296 HG23 ILE 296 -4.643 7.901 -5.186 69 HD11 ILE 296 HD11 ILE 296 -6.002 9.379 -4.987 70 HD12 ILE 296 HD12 ILE 296 -6.545 9.204 -3.317 71 HD13 ILE 296 HD13 ILE 296 -7.652 9.808 -4.549 72 H LYS 297 HN LYS 297 -9.171 4.661 -5.209 73 HA LYS 297 HA LYS 297 -9.894 4.371 -2.378 74 HB2 LYS 297 HB2 LYS 297 -11.543 5.646 -4.545 75 HB3 LYS 297 HB1 LYS 297 -12.184 5.174 -2.983 76 HG2 LYS 297 HG2 LYS 297 -10.514 6.698 -1.926 77 HG3 LYS 297 HG1 LYS 297 -10.100 7.260 -3.552 78 HD2 LYS 297 HD2 LYS 297 -12.343 7.998 -3.924 79 HD3 LYS 297 HD1 LYS 297 -12.865 7.319 -2.382 80 HE2 LYS 297 HE2 LYS 297 -11.350 8.872 -1.226 81 HE3 LYS 297 HE1 LYS 297 -10.922 9.582 -2.782 82 HZ1 LYS 297 HZ1 LYS 297 -12.661 10.831 -1.612 83 HZ2 LYS 297 HZ2 LYS 297 -13.669 9.471 -1.673 84 HZ3 LYS 297 HZ3 LYS 297 -13.191 10.232 -3.102 85 H LEU 298 HN LEU 298 -11.347 2.854 -1.812 86 HA LEU 298 HA LEU 298 -11.698 0.631 -3.620 87 HB2 LEU 298 HB2 LEU 298 -12.756 1.086 -0.828 88 HB3 LEU 298 HB1 LEU 298 -13.201 -0.327 -1.762 89 HG LEU 298 HG LEU 298 -10.456 0.379 -0.698 90 HD11 LEU 298 HD11 LEU 298 -11.993 -0.394 0.975 91 HD12 LEU 298 HD12 LEU 298 -10.729 -1.580 0.656 92 HD13 LEU 298 HD13 LEU 298 -12.350 -1.825 0.003 93 HD21 LEU 298 HD21 LEU 298 -9.753 -1.796 -1.589 94 HD22 LEU 298 HD22 LEU 298 -10.238 -0.711 -2.889 95 HD23 LEU 298 HD23 LEU 298 -11.327 -1.993 -2.359 96 H GLY 299 HN GLY 299 -14.384 1.939 -1.673 97 HA2 GLY 299 HA2 GLY 299 -16.451 2.611 -2.259 98 HA3 GLY 299 HA1 GLY 299 -15.809 3.034 -3.843 99 H GLY 300 HN GLY 300 -17.161 0.419 -1.906 100 HA2 GLY 300 HA2 GLY 300 -18.183 -0.773 -4.329 101 HA3 GLY 300 HA1 GLY 300 -16.988 -1.741 -3.479 102 H PHE 301 HN PHE 301 -20.195 -1.080 -3.798 103 HA PHE 301 HA PHE 301 -20.877 -1.853 -1.078 104 HB2 PHE 301 HB2 PHE 301 -23.250 -1.473 -1.829 105 HB3 PHE 301 HB1 PHE 301 -22.231 -0.045 -1.894 106 HD1 PHE 301 HD1 PHE 301 -21.706 0.994 -4.004 107 HD2 PHE 301 HD2 PHE 301 -24.036 -2.563 -3.865 108 HE1 PHE 301 HE1 PHE 301 -22.392 1.353 -6.336 109 HE2 PHE 301 HE2 PHE 301 -24.718 -2.209 -6.200 110 HZ PHE 301 HZ PHE 301 -23.895 -0.249 -7.437 111 H ALA 557 HN ALA 557 32.868 -6.073 0.588 112 HA ALA 557 HA ALA 557 34.040 -7.564 1.859 113 HB1 ALA 557 HB1 ALA 557 36.395 -8.071 1.427 114 HB2 ALA 557 HB2 ALA 557 36.439 -6.833 0.174 115 HB3 ALA 557 HB3 ALA 557 35.432 -8.269 -0.038 116 H SER 558 HN SER 558 34.885 -4.388 1.018 117 HA SER 558 HA SER 558 36.297 -3.900 3.512 118 HB2 SER 558 HB2 SER 558 35.687 -2.026 1.210 119 HB3 SER 558 HB1 SER 558 36.726 -1.658 2.588 120 HG SER 558 HG SER 558 37.832 -3.708 1.866 121 H ALA 559 HN ALA 559 35.593 -2.431 5.053 122 HA ALA 559 HA ALA 559 32.903 -2.513 5.718 123 HB1 ALA 559 HB1 ALA 559 33.492 -1.038 7.547 124 HB2 ALA 559 HB2 ALA 559 35.022 -0.650 6.757 125 HB3 ALA 559 HB3 ALA 559 34.727 -2.283 7.342 126 H SER 560 HN SER 560 31.308 -1.467 4.859 127 HA SER 560 HA SER 560 31.760 1.125 3.622 128 HB2 SER 560 HB2 SER 560 29.337 -0.683 3.573 129 HB3 SER 560 HB1 SER 560 29.593 0.758 2.576 130 HG SER 560 HG SER 560 31.542 -1.211 2.580 131 H TYR 561 HN TYR 561 30.843 2.944 4.464 132 HA TYR 561 HA TYR 561 30.099 2.695 7.209 133 HB2 TYR 561 HB2 TYR 561 30.503 5.164 5.533 134 HB3 TYR 561 HB1 TYR 561 30.189 5.150 7.269 135 HD1 TYR 561 HD1 TYR 561 32.684 4.888 4.726 136 HD2 TYR 561 HD2 TYR 561 31.839 3.974 8.779 137 HE1 TYR 561 HE1 TYR 561 35.106 4.620 5.162 138 HE2 TYR 561 HE2 TYR 561 34.238 3.707 9.231 139 HH TYR 561 HH TYR 561 36.219 3.111 7.927 140 H ASP 562 HN ASP 562 28.552 3.217 4.297 141 HA ASP 562 HA ASP 562 26.080 3.958 5.657 142 HB2 ASP 562 HB2 ASP 562 26.636 3.703 2.733 143 HB3 ASP 562 HB1 ASP 562 25.060 4.090 3.390 144 H SER 563 HN SER 563 25.395 2.264 6.538 145 HA SER 563 HA SER 563 24.357 0.173 4.893 146 HB2 SER 563 HB2 SER 563 26.248 -0.571 7.154 147 HB3 SER 563 HB1 SER 563 25.292 -1.668 6.148 148 HG SER 563 HG SER 563 26.654 -0.060 4.571 149 H GLU 564 HN GLU 564 22.391 0.077 5.454 150 HA GLU 564 HA GLU 564 21.418 -0.207 8.077 151 HB2 GLU 564 HB2 GLU 564 20.208 1.956 8.142 152 HB3 GLU 564 HB1 GLU 564 21.948 2.152 8.298 153 HG2 GLU 564 HG2 GLU 564 22.073 2.792 5.924 154 HG3 GLU 564 HG1 GLU 564 20.328 2.612 5.792 155 H GLU 565 HN GLU 565 19.043 -0.302 7.972 156 HA GLU 565 HA GLU 565 17.839 -0.052 5.380 157 HB2 GLU 565 HB2 GLU 565 18.656 -2.398 5.377 158 HB3 GLU 565 HB1 GLU 565 17.733 -2.703 6.842 159 HG2 GLU 565 HG2 GLU 565 15.653 -2.199 5.641 160 HG3 GLU 565 HG1 GLU 565 16.571 -1.911 4.173 161 H GLU 566 HN GLU 566 16.201 1.190 5.837 162 HA GLU 566 HA GLU 566 14.432 0.257 7.919 163 HB2 GLU 566 HB2 GLU 566 13.755 2.598 8.434 164 HB3 GLU 566 HB1 GLU 566 15.438 2.303 8.818 165 HG2 GLU 566 HG2 GLU 566 16.118 3.490 6.801 166 HG3 GLU 566 HG1 GLU 566 14.427 3.730 6.367 167 H GLU 567 HN GLU 567 12.826 -0.615 6.915 168 HA GLU 567 HA GLU 567 12.168 0.014 4.240 169 HB2 GLU 567 HB2 GLU 567 10.667 -1.595 6.306 170 HB3 GLU 567 HB1 GLU 567 10.128 -1.386 4.647 171 HG2 GLU 567 HG2 GLU 567 12.184 -2.416 3.842 172 HG3 GLU 567 HG1 GLU 567 12.702 -2.664 5.508 173 H GLU 568 HN GLU 568 11.234 1.234 7.215 174 HA GLU 568 HA GLU 568 8.846 2.623 6.471 175 HB2 GLU 568 HB2 GLU 568 10.786 3.308 8.625 176 HB3 GLU 568 HB1 GLU 568 9.113 3.801 8.458 177 HG2 GLU 568 HG2 GLU 568 10.001 0.952 8.911 178 HG3 GLU 568 HG1 GLU 568 9.539 2.040 10.208 179 H GLY 569 HN GLY 569 11.799 3.008 5.371 180 HA2 GLY 569 HA2 GLY 569 11.452 5.858 4.864 181 HA3 GLY 569 HA1 GLY 569 12.971 5.342 5.587 182 H LEU 570 HN LEU 570 11.387 3.209 3.426 183 HA LEU 570 HA LEU 570 13.400 3.825 1.402 184 HB2 LEU 570 HB2 LEU 570 11.795 1.303 1.846 185 HB3 LEU 570 HB1 LEU 570 12.828 1.569 0.459 186 HG LEU 570 HG LEU 570 13.732 1.387 3.337 187 HD11 LEU 570 HD11 LEU 570 13.041 -0.754 2.412 188 HD12 LEU 570 HD12 LEU 570 14.784 -0.692 2.645 189 HD13 LEU 570 HD13 LEU 570 14.103 -0.509 1.028 190 HD21 LEU 570 HD21 LEU 570 16.008 1.406 2.398 191 HD22 LEU 570 HD22 LEU 570 15.163 2.918 2.102 192 HD23 LEU 570 HD23 LEU 570 15.342 1.737 0.800 193 HA PRO 571 HA PRO 571 9.954 5.783 -0.732 194 HB2 PRO 571 HB2 PRO 571 12.100 5.952 -2.786 195 HB3 PRO 571 HB1 PRO 571 11.051 7.227 -2.154 196 HG2 PRO 571 HG2 PRO 571 13.573 7.145 -1.413 197 HG3 PRO 571 HG1 PRO 571 12.310 7.485 -0.218 198 HD2 PRO 571 HD2 PRO 571 13.780 4.926 -0.732 199 HD3 PRO 571 HD1 PRO 571 13.362 5.717 0.809 200 H MET 572 HN MET 572 8.652 5.179 -2.502 201 HA MET 572 HA MET 572 9.303 2.557 -3.684 202 HB2 MET 572 HB2 MET 572 6.596 3.650 -2.892 203 HB3 MET 572 HB1 MET 572 6.907 2.077 -3.617 204 HG2 MET 572 HG2 MET 572 8.182 1.404 -1.662 205 HG3 MET 572 HG1 MET 572 7.931 2.987 -0.938 206 HE1 MET 572 HE1 MET 572 6.377 -0.311 -2.116 207 HE2 MET 572 HE2 MET 572 5.151 0.733 -2.879 208 HE3 MET 572 HE3 MET 572 4.756 -0.241 -1.455 209 H SER 573 HN SER 573 8.842 2.288 -5.828 210 HA SER 573 HA SER 573 8.425 4.822 -7.243 211 HB2 SER 573 HB2 SER 573 10.465 3.432 -7.788 212 HB3 SER 573 HB1 SER 573 9.380 2.170 -8.362 213 HG SER 573 HG SER 573 10.032 3.353 -10.081 214 H TYR 574 HN TYR 574 7.337 4.374 -9.454 215 HA TYR 574 HA TYR 574 4.610 4.084 -8.851 216 HB2 TYR 574 HB2 TYR 574 4.170 4.378 -11.223 217 HB3 TYR 574 HB1 TYR 574 5.480 5.450 -10.756 218 HD1 TYR 574 HD1 TYR 574 4.486 2.666 -12.848 219 HD2 TYR 574 HD2 TYR 574 7.817 4.895 -11.452 220 HE1 TYR 574 HE1 TYR 574 5.862 1.718 -14.637 221 HE2 TYR 574 HE2 TYR 574 9.208 3.954 -13.252 222 HH TYR 574 HH TYR 574 7.879 2.358 -15.870 223 H ASP 575 HN ASP 575 6.975 1.804 -9.923 224 HA ASP 575 HA ASP 575 5.141 -0.157 -10.915 225 HB2 ASP 575 HB2 ASP 575 7.054 -1.677 -11.013 226 HB3 ASP 575 HB1 ASP 575 7.501 -0.111 -11.674 227 H GLU 576 HN GLU 576 6.931 0.247 -7.901 228 HA GLU 576 HA GLU 576 6.079 -1.957 -6.519 229 HB2 GLU 576 HB2 GLU 576 6.742 0.820 -5.575 230 HB3 GLU 576 HB1 GLU 576 6.637 -0.567 -4.506 231 HG2 GLU 576 HG2 GLU 576 8.417 -1.661 -5.785 232 HG3 GLU 576 HG1 GLU 576 8.494 -0.260 -6.825 233 H LYS 577 HN LYS 577 4.768 1.289 -6.586 234 HA LYS 577 HA LYS 577 2.511 0.902 -4.963 235 HB2 LYS 577 HB2 LYS 577 2.901 2.829 -7.223 236 HB3 LYS 577 HB1 LYS 577 1.725 3.006 -5.920 237 HG2 LYS 577 HG2 LYS 577 3.537 3.167 -4.289 238 HG3 LYS 577 HG1 LYS 577 4.722 2.975 -5.578 239 HD2 LYS 577 HD2 LYS 577 3.889 5.030 -6.614 240 HD3 LYS 577 HD1 LYS 577 2.779 5.283 -5.277 241 HE2 LYS 577 HE2 LYS 577 4.825 5.146 -3.769 242 HE3 LYS 577 HE1 LYS 577 5.784 5.273 -5.243 243 HZ1 LYS 577 HZ1 LYS 577 3.929 7.214 -4.075 244 HZ2 LYS 577 HZ2 LYS 577 4.408 7.376 -5.660 245 HZ3 LYS 577 HZ3 LYS 577 5.572 7.429 -4.401 246 H ARG 578 HN ARG 578 2.845 0.760 -8.497 247 HA ARG 578 HA ARG 578 0.215 0.235 -9.247 248 HB2 ARG 578 HB2 ARG 578 2.027 0.682 -10.865 249 HB3 ARG 578 HB1 ARG 578 2.763 -0.859 -10.475 250 HG2 ARG 578 HG2 ARG 578 1.643 -1.124 -12.549 251 HG3 ARG 578 HG1 ARG 578 0.674 -1.965 -11.340 252 HD2 ARG 578 HD2 ARG 578 -0.793 -0.742 -12.784 253 HD3 ARG 578 HD1 ARG 578 -0.791 0.049 -11.211 254 HE ARG 578 HE ARG 578 1.141 1.163 -12.995 255 HH11 ARG 578 HH11 ARG 578 -2.307 1.256 -12.241 256 HH12 ARG 578 HH12 ARG 578 -2.510 2.862 -12.783 257 HH21 ARG 578 HH21 ARG 578 0.812 3.303 -13.850 258 HH22 ARG 578 HH22 ARG 578 -0.738 4.018 -13.794 259 H GLN 579 HN GLN 579 2.788 -2.100 -8.478 260 HA GLN 579 HA GLN 579 1.176 -4.378 -8.814 261 HB2 GLN 579 HB2 GLN 579 3.763 -4.011 -8.834 262 HB3 GLN 579 HB1 GLN 579 3.640 -4.230 -7.101 263 HG2 GLN 579 HG2 GLN 579 2.681 -6.237 -9.103 264 HG3 GLN 579 HG1 GLN 579 4.321 -6.231 -8.454 265 HE21 GLN 579 HE21 GLN 579 1.007 -7.054 -7.885 266 HE22 GLN 579 HE22 GLN 579 1.217 -7.740 -6.331 267 H LEU 580 HN LEU 580 2.052 -2.397 -6.037 268 HA LEU 580 HA LEU 580 0.958 -3.907 -3.959 269 HB2 LEU 580 HB2 LEU 580 2.393 -1.762 -3.973 270 HB3 LEU 580 HB1 LEU 580 0.890 -0.903 -4.147 271 HG LEU 580 HG LEU 580 1.666 -2.609 -1.779 272 HD11 LEU 580 HD11 LEU 580 3.025 -0.673 -2.027 273 HD12 LEU 580 HD12 LEU 580 1.947 -0.459 -0.638 274 HD13 LEU 580 HD13 LEU 580 1.621 0.366 -2.173 275 HD21 LEU 580 HD21 LEU 580 -0.695 -0.755 -2.187 276 HD22 LEU 580 HD22 LEU 580 -0.252 -1.512 -0.656 277 HD23 LEU 580 HD23 LEU 580 -0.756 -2.507 -2.023 278 H SER 581 HN SER 581 -0.551 -1.560 -6.175 279 HA SER 581 HA SER 581 -3.080 -1.518 -4.935 280 HB2 SER 581 HB2 SER 581 -2.355 -0.969 -7.826 281 HB3 SER 581 HB1 SER 581 -3.838 -0.463 -7.016 282 HG SER 581 HG SER 581 -1.181 0.369 -6.403 283 H LEU 582 HN LEU 582 -1.557 -3.675 -7.192 284 HA LEU 582 HA LEU 582 -3.930 -5.045 -8.012 285 HB2 LEU 582 HB2 LEU 582 -1.063 -5.994 -8.099 286 HB3 LEU 582 HB1 LEU 582 -2.405 -6.653 -9.012 287 HG LEU 582 HG LEU 582 -1.230 -3.899 -9.370 288 HD11 LEU 582 HD11 LEU 582 -1.044 -6.340 -11.130 289 HD12 LEU 582 HD12 LEU 582 0.256 -5.688 -10.144 290 HD13 LEU 582 HD13 LEU 582 -0.384 -4.747 -11.495 291 HD21 LEU 582 HD21 LEU 582 -3.377 -5.337 -10.934 292 HD22 LEU 582 HD22 LEU 582 -2.654 -3.789 -11.367 293 HD23 LEU 582 HD23 LEU 582 -3.612 -3.931 -9.892 294 H ASP 583 HN ASP 583 -1.395 -5.508 -5.618 295 HA ASP 583 HA ASP 583 -2.380 -7.953 -4.602 296 HB2 ASP 583 HB2 ASP 583 -0.577 -5.886 -3.362 297 HB3 ASP 583 HB1 ASP 583 -1.054 -7.356 -2.522 298 H ILE 584 HN ILE 584 -3.015 -4.639 -3.686 299 HA ILE 584 HA ILE 584 -4.785 -5.319 -1.612 300 HB ILE 584 HB ILE 584 -4.420 -2.818 -3.245 301 HG12 ILE 584 HG12 ILE 584 -3.917 -3.628 -0.399 302 HG13 ILE 584 HG11 ILE 584 -2.764 -3.108 -1.622 303 HG21 ILE 584 HG21 ILE 584 -6.852 -2.913 -2.793 304 HG22 ILE 584 HG22 ILE 584 -6.032 -1.608 -1.923 305 HG23 ILE 584 HG23 ILE 584 -6.473 -3.076 -1.067 306 HD11 ILE 584 HD11 ILE 584 -3.091 -1.393 0.061 307 HD12 ILE 584 HD12 ILE 584 -4.828 -1.446 -0.259 308 HD13 ILE 584 HD13 ILE 584 -3.724 -0.845 -1.509 309 H ASN 585 HN ASN 585 -5.223 -5.139 -5.050 310 HA ASN 585 HA ASN 585 -8.060 -5.432 -4.932 311 HB2 ASN 585 HB2 ASN 585 -6.996 -4.497 -6.954 312 HB3 ASN 585 HB1 ASN 585 -6.169 -6.023 -7.231 313 HD21 ASN 585 HD21 ASN 585 -7.267 -7.687 -8.200 314 HD22 ASN 585 HD22 ASN 585 -8.859 -7.537 -8.830 315 H ARG 586 HN ARG 586 -5.369 -7.578 -4.876 316 HA ARG 586 HA ARG 586 -6.731 -10.038 -5.279 317 HB2 ARG 586 HB2 ARG 586 -4.122 -9.354 -3.930 318 HB3 ARG 586 HB1 ARG 586 -4.719 -10.998 -4.036 319 HG2 ARG 586 HG2 ARG 586 -4.600 -10.922 -6.447 320 HG3 ARG 586 HG1 ARG 586 -4.132 -9.220 -6.389 321 HD2 ARG 586 HD2 ARG 586 -2.031 -9.716 -5.447 322 HD3 ARG 586 HD1 ARG 586 -2.538 -11.341 -4.990 323 HE ARG 586 HE ARG 586 -2.750 -11.501 -7.586 324 HH11 ARG 586 HH11 ARG 586 -0.101 -9.804 -5.935 325 HH12 ARG 586 HH12 ARG 586 1.102 -10.486 -6.893 326 HH21 ARG 586 HH21 ARG 586 -1.105 -12.395 -8.902 327 HH22 ARG 586 HH22 ARG 586 0.544 -11.954 -8.659 328 H LEU 587 HN LEU 587 -6.320 -7.957 -2.538 329 HA LEU 587 HA LEU 587 -6.963 -9.947 -0.599 330 HB2 LEU 587 HB2 LEU 587 -6.862 -6.953 -0.318 331 HB3 LEU 587 HB1 LEU 587 -7.080 -8.075 1.001 332 HG LEU 587 HG LEU 587 -4.620 -7.662 -0.679 333 HD11 LEU 587 HD11 LEU 587 -3.632 -7.198 1.539 334 HD12 LEU 587 HD12 LEU 587 -5.258 -7.272 2.226 335 HD13 LEU 587 HD13 LEU 587 -4.859 -6.038 1.028 336 HD21 LEU 587 HD21 LEU 587 -5.112 -9.785 1.414 337 HD22 LEU 587 HD22 LEU 587 -3.553 -9.406 0.690 338 HD23 LEU 587 HD23 LEU 587 -4.845 -10.062 -0.310 339 HA PRO 588 HA PRO 588 -11.362 -9.397 -0.717 340 HB2 PRO 588 HB2 PRO 588 -11.987 -10.961 1.367 341 HB3 PRO 588 HB1 PRO 588 -11.393 -11.644 -0.146 342 HG2 PRO 588 HG2 PRO 588 -9.915 -11.137 2.396 343 HG3 PRO 588 HG1 PRO 588 -9.833 -12.545 1.320 344 HD2 PRO 588 HD2 PRO 588 -8.006 -10.487 1.322 345 HD3 PRO 588 HD1 PRO 588 -8.343 -11.526 -0.078 346 H GLY 589 HN GLY 589 -13.051 -8.577 0.704 347 HA2 GLY 589 HA2 GLY 589 -12.510 -6.119 1.804 348 HA3 GLY 589 HA1 GLY 589 -13.965 -7.030 2.106 349 H GLU 590 HN GLU 590 -12.827 -9.145 3.658 350 HA GLU 590 HA GLU 590 -12.825 -7.908 6.173 351 HB2 GLU 590 HB2 GLU 590 -13.604 -10.186 5.888 352 HB3 GLU 590 HB1 GLU 590 -12.014 -10.692 5.353 353 HG2 GLU 590 HG2 GLU 590 -11.110 -10.517 7.502 354 HG3 GLU 590 HG1 GLU 590 -12.483 -9.580 8.093 355 H LYS 591 HN LYS 591 -10.233 -8.726 4.034 356 HA LYS 591 HA LYS 591 -8.237 -8.261 6.108 357 HB2 LYS 591 HB2 LYS 591 -7.821 -8.940 3.185 358 HB3 LYS 591 HB1 LYS 591 -6.616 -9.021 4.468 359 HG2 LYS 591 HG2 LYS 591 -9.103 -10.715 4.295 360 HG3 LYS 591 HG1 LYS 591 -7.464 -11.247 3.902 361 HD2 LYS 591 HD2 LYS 591 -6.779 -11.060 6.174 362 HD3 LYS 591 HD1 LYS 591 -8.228 -10.163 6.607 363 HE2 LYS 591 HE2 LYS 591 -8.289 -12.495 7.378 364 HE3 LYS 591 HE1 LYS 591 -9.602 -12.096 6.277 365 HZ1 LYS 591 HZ1 LYS 591 -7.121 -13.565 5.530 366 HZ2 LYS 591 HZ2 LYS 591 -8.396 -13.189 4.497 367 HZ3 LYS 591 HZ3 LYS 591 -8.644 -14.240 5.775 368 H LEU 592 HN LEU 592 -9.699 -6.760 3.345 369 HA LEU 592 HA LEU 592 -7.940 -4.646 3.005 370 HB2 LEU 592 HB2 LEU 592 -10.825 -5.047 2.445 371 HB3 LEU 592 HB1 LEU 592 -10.170 -3.430 2.317 372 HG LEU 592 HG LEU 592 -8.981 -5.751 0.805 373 HD11 LEU 592 HD11 LEU 592 -11.341 -5.477 0.134 374 HD12 LEU 592 HD12 LEU 592 -10.247 -4.872 -1.118 375 HD13 LEU 592 HD13 LEU 592 -11.073 -3.744 -0.054 376 HD21 LEU 592 HD21 LEU 592 -8.836 -2.768 0.524 377 HD22 LEU 592 HD22 LEU 592 -8.141 -3.954 -0.578 378 HD23 LEU 592 HD23 LEU 592 -7.552 -3.842 1.085 379 H GLY 593 HN GLY 593 -10.520 -5.159 5.282 380 HA2 GLY 593 HA2 GLY 593 -10.863 -2.663 6.387 381 HA3 GLY 593 HA1 GLY 593 -10.983 -4.164 7.293 382 H ARG 594 HN ARG 594 -8.125 -4.872 6.900 383 HA ARG 594 HA ARG 594 -7.214 -3.268 9.076 384 HB2 ARG 594 HB2 ARG 594 -6.777 -5.679 9.140 385 HB3 ARG 594 HB1 ARG 594 -5.808 -5.564 7.684 386 HG2 ARG 594 HG2 ARG 594 -4.410 -5.700 9.686 387 HG3 ARG 594 HG1 ARG 594 -4.184 -4.163 8.844 388 HD2 ARG 594 HD2 ARG 594 -5.661 -3.052 10.389 389 HD3 ARG 594 HD1 ARG 594 -6.017 -4.588 11.175 390 HE ARG 594 HE ARG 594 -3.224 -3.865 11.174 391 HH11 ARG 594 HH11 ARG 594 -6.280 -3.385 12.911 392 HH12 ARG 594 HH12 ARG 594 -5.548 -3.048 14.400 393 HH21 ARG 594 HH21 ARG 594 -2.215 -3.345 13.204 394 HH22 ARG 594 HH22 ARG 594 -3.179 -3.003 14.581 395 H VAL 595 HN VAL 595 -6.454 -3.657 5.647 396 HA VAL 595 HA VAL 595 -4.197 -1.964 5.872 397 HB VAL 595 HB VAL 595 -4.482 -3.544 3.913 398 HG11 VAL 595 HG11 VAL 595 -5.739 -2.871 1.966 399 HG12 VAL 595 HG12 VAL 595 -6.349 -1.468 2.839 400 HG13 VAL 595 HG13 VAL 595 -6.792 -3.089 3.369 401 HG21 VAL 595 HG21 VAL 595 -2.768 -1.854 3.849 402 HG22 VAL 595 HG22 VAL 595 -3.919 -0.674 3.225 403 HG23 VAL 595 HG23 VAL 595 -3.464 -2.065 2.240 404 H VAL 596 HN VAL 596 -7.594 -1.389 5.283 405 HA VAL 596 HA VAL 596 -7.550 1.338 4.731 406 HB VAL 596 HB VAL 596 -9.554 -0.078 6.562 407 HG11 VAL 596 HG11 VAL 596 -9.845 2.469 4.987 408 HG12 VAL 596 HG12 VAL 596 -9.672 2.368 6.744 409 HG13 VAL 596 HG13 VAL 596 -11.108 1.708 5.949 410 HG21 VAL 596 HG21 VAL 596 -9.766 0.457 3.605 411 HG22 VAL 596 HG22 VAL 596 -10.978 -0.329 4.617 412 HG23 VAL 596 HG23 VAL 596 -9.423 -1.113 4.331 413 H HIS 597 HN HIS 597 -7.306 -0.355 7.850 414 HA HIS 597 HA HIS 597 -7.303 1.877 9.559 415 HB2 HIS 597 HB2 HIS 597 -7.791 -0.367 10.358 416 HB3 HIS 597 HB1 HIS 597 -6.214 -0.931 9.840 417 HD1 HIS 597 HD1 HIS 597 -4.182 -0.381 11.412 418 HD2 HIS 597 HD2 HIS 597 -7.857 0.986 12.795 419 HE1 HIS 597 HE1 HIS 597 -3.847 0.198 13.821 420 H ILE 598 HN ILE 598 -4.834 0.190 7.753 421 HA ILE 598 HA ILE 598 -2.624 1.304 9.048 422 HB ILE 598 HB ILE 598 -2.762 0.210 6.207 423 HG12 ILE 598 HG12 ILE 598 -1.896 -1.148 8.775 424 HG13 ILE 598 HG11 ILE 598 -3.452 -1.392 7.998 425 HG21 ILE 598 HG21 ILE 598 -0.793 1.599 6.548 426 HG22 ILE 598 HG22 ILE 598 -0.328 -0.104 6.455 427 HG23 ILE 598 HG23 ILE 598 -0.401 0.708 8.017 428 HD11 ILE 598 HD11 ILE 598 -2.248 -2.290 6.013 429 HD12 ILE 598 HD12 ILE 598 -2.036 -3.224 7.478 430 HD13 ILE 598 HD13 ILE 598 -0.736 -2.156 6.923 431 H ILE 599 HN ILE 599 -4.432 2.266 6.139 432 HA ILE 599 HA ILE 599 -2.838 4.563 5.702 433 HB ILE 599 HB ILE 599 -5.678 3.985 4.776 434 HG12 ILE 599 HG12 ILE 599 -4.534 4.207 2.475 435 HG13 ILE 599 HG11 ILE 599 -3.024 4.041 3.355 436 HG21 ILE 599 HG21 ILE 599 -4.053 6.430 4.216 437 HG22 ILE 599 HG22 ILE 599 -5.596 6.320 5.073 438 HG23 ILE 599 HG23 ILE 599 -5.515 5.974 3.344 439 HD11 ILE 599 HD11 ILE 599 -3.716 1.869 4.133 440 HD12 ILE 599 HD12 ILE 599 -3.789 1.960 2.367 441 HD13 ILE 599 HD13 ILE 599 -5.265 2.076 3.331 442 H GLN 600 HN GLN 600 -5.913 4.079 7.438 443 HA GLN 600 HA GLN 600 -6.435 6.671 8.215 444 HB2 GLN 600 HB2 GLN 600 -6.964 4.175 9.790 445 HB3 GLN 600 HB1 GLN 600 -7.717 5.745 10.061 446 HG2 GLN 600 HG2 GLN 600 -8.466 5.650 7.720 447 HG3 GLN 600 HG1 GLN 600 -7.957 3.970 7.683 448 HE21 GLN 600 HE21 GLN 600 -10.217 6.195 8.822 449 HE22 GLN 600 HE22 GLN 600 -11.347 5.066 9.501 450 H SER 601 HN SER 601 -4.103 4.520 9.451 451 HA SER 601 HA SER 601 -3.475 5.537 11.947 452 HB2 SER 601 HB2 SER 601 -2.433 3.521 11.002 453 HB3 SER 601 HB1 SER 601 -1.604 4.509 9.800 454 HG SER 601 HG SER 601 -1.052 4.088 12.468 455 H ARG 602 HN ARG 602 -2.443 6.682 8.762 456 HA ARG 602 HA ARG 602 -1.226 9.028 10.030 457 HB2 ARG 602 HB2 ARG 602 0.191 7.781 8.480 458 HB3 ARG 602 HB1 ARG 602 -1.000 8.004 7.207 459 HG2 ARG 602 HG2 ARG 602 -0.681 10.477 7.482 460 HG3 ARG 602 HG1 ARG 602 0.673 10.103 8.548 461 HD2 ARG 602 HD2 ARG 602 1.732 8.843 6.766 462 HD3 ARG 602 HD1 ARG 602 0.379 9.209 5.700 463 HE ARG 602 HE ARG 602 2.208 11.208 6.820 464 HH11 ARG 602 HH11 ARG 602 -0.219 10.450 4.406 465 HH12 ARG 602 HH12 ARG 602 0.466 11.368 3.158 466 HH21 ARG 602 HH21 ARG 602 3.090 12.664 5.140 467 HH22 ARG 602 HH22 ARG 602 2.390 12.656 3.588 468 H GLU 603 HN GLU 603 -3.624 8.012 7.673 469 HA GLU 603 HA GLU 603 -4.182 10.745 6.843 470 HB2 GLU 603 HB2 GLU 603 -5.072 8.087 5.858 471 HB3 GLU 603 HB1 GLU 603 -5.609 9.569 5.118 472 HG2 GLU 603 HG2 GLU 603 -2.800 8.396 5.207 473 HG3 GLU 603 HG1 GLU 603 -3.815 8.629 3.791 474 HA PRO 604 HA PRO 604 -7.727 10.389 9.435 475 HB2 PRO 604 HB2 PRO 604 -7.860 12.895 10.243 476 HB3 PRO 604 HB1 PRO 604 -6.462 11.844 10.636 477 HG2 PRO 604 HG2 PRO 604 -6.622 13.944 8.505 478 HG3 PRO 604 HG1 PRO 604 -5.363 13.687 9.732 479 HD2 PRO 604 HD2 PRO 604 -5.332 12.678 7.137 480 HD3 PRO 604 HD1 PRO 604 -4.353 12.075 8.493 481 H SER 605 HN SER 605 -7.233 11.739 6.394 482 HA SER 605 HA SER 605 -9.673 13.102 5.965 483 HB2 SER 605 HB2 SER 605 -9.007 12.716 3.550 484 HB3 SER 605 HB1 SER 605 -7.792 13.537 4.538 485 HG SER 605 HG SER 605 -7.425 11.445 3.116 486 H LEU 606 HN LEU 606 -8.467 9.890 5.505 487 HA LEU 606 HA LEU 606 -10.657 8.717 4.265 488 HB2 LEU 606 HB2 LEU 606 -8.414 7.848 4.383 489 HB3 LEU 606 HB1 LEU 606 -8.541 7.488 6.065 490 HG LEU 606 HG LEU 606 -10.030 6.181 3.754 491 HD11 LEU 606 HD11 LEU 606 -7.925 5.189 5.602 492 HD12 LEU 606 HD12 LEU 606 -7.749 5.651 3.904 493 HD13 LEU 606 HD13 LEU 606 -8.730 4.237 4.337 494 HD21 LEU 606 HD21 LEU 606 -10.195 5.555 6.699 495 HD22 LEU 606 HD22 LEU 606 -10.825 4.506 5.421 496 HD23 LEU 606 HD23 LEU 606 -11.506 6.118 5.671 497 H ARG 607 HN ARG 607 -9.777 8.986 7.687 498 HA ARG 607 HA ARG 607 -11.875 7.645 8.919 499 HB2 ARG 607 HB2 ARG 607 -10.553 10.176 9.893 500 HB3 ARG 607 HB1 ARG 607 -11.470 9.049 10.878 501 HG2 ARG 607 HG2 ARG 607 -9.813 7.369 10.602 502 HG3 ARG 607 HG1 ARG 607 -8.911 8.343 9.443 503 HD2 ARG 607 HD2 ARG 607 -8.748 10.099 11.310 504 HD3 ARG 607 HD1 ARG 607 -9.396 8.878 12.393 505 HE ARG 607 HE ARG 607 -7.088 7.914 11.051 506 HH11 ARG 607 HH11 ARG 607 -8.011 10.103 13.708 507 HH12 ARG 607 HH12 ARG 607 -6.521 9.968 14.504 508 HH21 ARG 607 HH21 ARG 607 -5.089 7.769 12.127 509 HH22 ARG 607 HH22 ARG 607 -4.799 8.609 13.593 510 H ASP 608 HN ASP 608 -11.808 10.879 7.538 511 HA ASP 608 HA ASP 608 -14.354 11.688 8.648 512 HB2 ASP 608 HB2 ASP 608 -12.604 13.368 8.162 513 HB3 ASP 608 HB1 ASP 608 -12.703 12.970 6.453 514 H SER 609 HN SER 609 -13.276 9.980 5.944 515 HA SER 609 HA SER 609 -15.637 10.492 4.349 516 HB2 SER 609 HB2 SER 609 -13.319 8.597 3.844 517 HB3 SER 609 HB1 SER 609 -14.491 9.177 2.659 518 HG SER 609 HG SER 609 -12.630 10.782 4.087 519 H ASN 610 HN ASN 610 -16.629 8.308 3.449 520 HA ASN 610 HA ASN 610 -17.532 6.739 5.675 521 HB2 ASN 610 HB2 ASN 610 -17.867 6.281 2.689 522 HB3 ASN 610 HB1 ASN 610 -18.622 5.283 3.918 523 HD21 ASN 610 HD21 ASN 610 -20.320 6.184 5.177 524 HD22 ASN 610 HD22 ASN 610 -21.156 7.578 4.640 525 HA PRO 611 HA PRO 611 -14.319 3.684 5.765 526 HB2 PRO 611 HB2 PRO 611 -15.748 1.413 6.406 527 HB3 PRO 611 HB1 PRO 611 -15.257 2.632 7.580 528 HG2 PRO 611 HG2 PRO 611 -17.897 2.230 6.256 529 HG3 PRO 611 HG1 PRO 611 -17.544 2.730 7.914 530 HD2 PRO 611 HD2 PRO 611 -18.323 4.471 5.984 531 HD3 PRO 611 HD1 PRO 611 -17.246 4.942 7.317 532 H ASP 612 HN ASP 612 -16.976 3.412 3.720 533 HA ASP 612 HA ASP 612 -16.373 1.243 2.016 534 HB2 ASP 612 HB2 ASP 612 -18.449 2.524 1.993 535 HB3 ASP 612 HB1 ASP 612 -17.582 3.912 1.403 536 H GLU 613 HN GLU 613 -15.221 4.421 2.331 537 HA GLU 613 HA GLU 613 -13.651 4.222 -0.130 538 HB2 GLU 613 HB2 GLU 613 -14.209 6.600 1.633 539 HB3 GLU 613 HB1 GLU 613 -13.235 6.625 0.176 540 HG2 GLU 613 HG2 GLU 613 -15.190 6.045 -1.146 541 HG3 GLU 613 HG1 GLU 613 -16.170 5.994 0.320 542 H ILE 614 HN ILE 614 -11.795 3.346 0.242 543 HA ILE 614 HA ILE 614 -10.223 4.149 2.550 544 HB ILE 614 HB ILE 614 -10.205 1.702 1.599 545 HG12 ILE 614 HG12 ILE 614 -7.523 3.105 1.775 546 HG13 ILE 614 HG11 ILE 614 -8.459 2.520 3.148 547 HG21 ILE 614 HG21 ILE 614 -8.541 3.020 -0.536 548 HG22 ILE 614 HG22 ILE 614 -10.114 2.280 -0.769 549 HG23 ILE 614 HG23 ILE 614 -8.717 1.283 -0.317 550 HD11 ILE 614 HD11 ILE 614 -8.225 0.214 2.311 551 HD12 ILE 614 HD12 ILE 614 -6.659 0.949 2.600 552 HD13 ILE 614 HD13 ILE 614 -7.275 0.805 0.961 553 H GLU 615 HN GLU 615 -8.489 5.557 2.164 554 HA GLU 615 HA GLU 615 -8.401 6.666 -0.555 555 HB2 GLU 615 HB2 GLU 615 -9.529 8.161 1.162 556 HB3 GLU 615 HB1 GLU 615 -8.001 8.216 2.019 557 HG2 GLU 615 HG2 GLU 615 -6.953 9.284 0.082 558 HG3 GLU 615 HG1 GLU 615 -8.492 9.222 -0.776 559 H ILE 616 HN ILE 616 -6.602 5.676 -1.245 560 HA ILE 616 HA ILE 616 -4.288 5.617 0.587 561 HB ILE 616 HB ILE 616 -4.447 4.061 -1.971 562 HG12 ILE 616 HG12 ILE 616 -5.443 2.973 0.665 563 HG13 ILE 616 HG11 ILE 616 -6.522 3.623 -0.564 564 HG21 ILE 616 HG21 ILE 616 -2.335 4.206 -0.779 565 HG22 ILE 616 HG22 ILE 616 -2.961 2.558 -0.735 566 HG23 ILE 616 HG23 ILE 616 -3.097 3.591 0.688 567 HD11 ILE 616 HD11 ILE 616 -4.673 1.266 -0.884 568 HD12 ILE 616 HD12 ILE 616 -5.684 1.962 -2.153 569 HD13 ILE 616 HD13 ILE 616 -6.437 1.223 -0.751 570 H ASP 617 HN ASP 617 -3.477 7.701 0.024 571 HA ASP 617 HA ASP 617 -2.994 8.052 -2.811 572 HB2 ASP 617 HB2 ASP 617 -3.734 10.024 -1.443 573 HB3 ASP 617 HB1 ASP 617 -2.171 9.960 -0.623 574 H PHE 618 HN PHE 618 -1.541 6.681 -3.365 575 HA PHE 618 HA PHE 618 0.596 5.838 -1.816 576 HB2 PHE 618 HB2 PHE 618 0.187 5.611 -4.792 577 HB3 PHE 618 HB1 PHE 618 1.530 4.888 -3.915 578 HD1 PHE 618 HD1 PHE 618 -1.964 4.563 -4.805 579 HD2 PHE 618 HD2 PHE 618 1.119 3.146 -2.244 580 HE1 PHE 618 HE1 PHE 618 -3.271 2.500 -4.344 581 HE2 PHE 618 HE2 PHE 618 -0.180 1.125 -1.785 582 HZ PHE 618 HZ PHE 618 -2.370 0.792 -2.851 583 H GLU 619 HN GLU 619 0.378 8.828 -3.351 584 HA GLU 619 HA GLU 619 3.223 9.022 -3.998 585 HB2 GLU 619 HB2 GLU 619 1.020 11.054 -4.201 586 HB3 GLU 619 HB1 GLU 619 2.636 11.198 -4.867 587 HG2 GLU 619 HG2 GLU 619 0.623 9.143 -5.657 588 HG3 GLU 619 HG1 GLU 619 0.903 10.683 -6.477 589 H THR 620 HN THR 620 0.751 10.552 -2.003 590 HA THR 620 HA THR 620 2.670 12.282 -0.802 591 HB THR 620 HB THR 620 -0.257 12.184 -0.150 592 HG1 THR 620 HG1 THR 620 -0.131 11.993 -2.384 593 HG21 THR 620 HG21 THR 620 1.731 14.292 -0.752 594 HG22 THR 620 HG22 THR 620 1.259 13.797 0.900 595 HG23 THR 620 HG23 THR 620 0.077 14.575 -0.200 596 H LEU 621 HN LEU 621 1.341 9.224 -0.125 597 HA LEU 621 HA LEU 621 1.331 9.265 2.712 598 HB2 LEU 621 HB2 LEU 621 1.487 7.134 0.649 599 HB3 LEU 621 HB1 LEU 621 1.863 6.729 2.314 600 HG LEU 621 HG LEU 621 -0.776 7.934 1.446 601 HD11 LEU 621 HD11 LEU 621 -1.654 5.652 1.679 602 HD12 LEU 621 HD12 LEU 621 -0.028 5.051 1.993 603 HD13 LEU 621 HD13 LEU 621 -0.433 5.719 0.410 604 HD21 LEU 621 HD21 LEU 621 -0.178 8.274 3.785 605 HD22 LEU 621 HD22 LEU 621 0.186 6.547 3.911 606 HD23 LEU 621 HD23 LEU 621 -1.478 7.074 3.639 607 H LYS 622 HN LYS 622 2.804 8.508 4.160 608 HA LYS 622 HA LYS 622 5.573 9.022 3.546 609 HB2 LYS 622 HB2 LYS 622 4.174 8.054 6.037 610 HB3 LYS 622 HB1 LYS 622 5.911 8.226 5.940 611 HG2 LYS 622 HG2 LYS 622 3.948 10.476 5.544 612 HG3 LYS 622 HG1 LYS 622 4.756 10.082 7.061 613 HD2 LYS 622 HD2 LYS 622 6.933 10.440 5.969 614 HD3 LYS 622 HD1 LYS 622 6.102 10.920 4.493 615 HE2 LYS 622 HE2 LYS 622 6.807 12.874 5.816 616 HE3 LYS 622 HE1 LYS 622 5.055 12.780 5.664 617 HZ1 LYS 622 HZ1 LYS 622 5.828 13.313 7.952 618 HZ2 LYS 622 HZ2 LYS 622 6.574 11.818 8.039 619 HZ3 LYS 622 HZ3 LYS 622 4.898 11.919 7.883 620 HA PRO 623 HA PRO 623 7.090 4.977 2.408 621 HB2 PRO 623 HB2 PRO 623 9.125 4.988 4.432 622 HB3 PRO 623 HB1 PRO 623 9.351 5.224 2.727 623 HG2 PRO 623 HG2 PRO 623 9.231 7.180 4.885 624 HG3 PRO 623 HG1 PRO 623 9.803 7.403 3.226 625 HD2 PRO 623 HD2 PRO 623 7.526 8.528 4.218 626 HD3 PRO 623 HD1 PRO 623 7.758 8.140 2.503 627 H THR 624 HN THR 624 6.683 5.754 5.838 628 HA THR 624 HA THR 624 6.922 3.282 7.021 629 HB THR 624 HB THR 624 5.309 4.387 8.694 630 HG1 THR 624 HG1 THR 624 4.738 6.420 8.330 631 HG21 THR 624 HG21 THR 624 7.029 6.156 9.273 632 HG22 THR 624 HG22 THR 624 7.954 5.579 7.870 633 HG23 THR 624 HG23 THR 624 7.554 4.493 9.212 634 H THR 625 HN THR 625 4.067 5.024 6.018 635 HA THR 625 HA THR 625 2.265 2.922 6.514 636 HB THR 625 HB THR 625 1.919 5.418 4.883 637 HG1 THR 625 HG1 THR 625 1.896 4.864 7.642 638 HG21 THR 625 HG21 THR 625 -0.079 3.701 6.380 639 HG22 THR 625 HG22 THR 625 0.099 3.775 4.627 640 HG23 THR 625 HG23 THR 625 -0.462 5.195 5.518 641 H LEU 626 HN LEU 626 3.617 4.336 3.535 642 HA LEU 626 HA LEU 626 2.300 2.877 1.639 643 HB2 LEU 626 HB2 LEU 626 5.111 3.885 1.725 644 HB3 LEU 626 HB1 LEU 626 4.499 3.049 0.318 645 HG LEU 626 HG LEU 626 3.231 5.503 1.462 646 HD11 LEU 626 HD11 LEU 626 5.544 5.973 0.682 647 HD12 LEU 626 HD12 LEU 626 4.351 6.688 -0.404 648 HD13 LEU 626 HD13 LEU 626 5.172 5.196 -0.859 649 HD21 LEU 626 HD21 LEU 626 1.737 4.183 0.127 650 HD22 LEU 626 HD22 LEU 626 2.954 4.032 -1.141 651 HD23 LEU 626 HD23 LEU 626 2.244 5.608 -0.788 652 H ARG 627 HN ARG 627 5.405 2.045 3.138 653 HA ARG 627 HA ARG 627 5.707 -0.459 1.915 654 HB2 ARG 627 HB2 ARG 627 7.510 0.863 2.979 655 HB3 ARG 627 HB1 ARG 627 6.794 0.495 4.541 656 HG2 ARG 627 HG2 ARG 627 8.213 -1.224 4.576 657 HG3 ARG 627 HG1 ARG 627 7.072 -1.989 3.487 658 HD2 ARG 627 HD2 ARG 627 9.433 -0.348 2.578 659 HD3 ARG 627 HD1 ARG 627 9.442 -2.096 2.716 660 HE ARG 627 HE ARG 627 7.529 -1.929 0.999 661 HH11 ARG 627 HH11 ARG 627 10.191 0.383 1.140 662 HH12 ARG 627 HH12 ARG 627 10.370 0.509 -0.552 663 HH21 ARG 627 HH21 ARG 627 7.746 -1.736 -1.330 664 HH22 ARG 627 HH22 ARG 627 8.905 -0.705 -2.023 665 H GLU 628 HN GLU 628 4.120 0.608 4.893 666 HA GLU 628 HA GLU 628 3.881 -1.896 6.150 667 HB2 GLU 628 HB2 GLU 628 3.492 0.445 7.110 668 HB3 GLU 628 HB1 GLU 628 1.899 0.361 6.381 669 HG2 GLU 628 HG2 GLU 628 1.668 -0.243 8.654 670 HG3 GLU 628 HG1 GLU 628 1.507 -1.726 7.711 671 H LEU 629 HN LEU 629 1.906 -0.214 3.770 672 HA LEU 629 HA LEU 629 -0.375 -1.913 3.718 673 HB2 LEU 629 HB2 LEU 629 0.799 -0.678 1.231 674 HB3 LEU 629 HB1 LEU 629 -0.887 -0.974 1.604 675 HG LEU 629 HG LEU 629 0.856 1.173 2.789 676 HD11 LEU 629 HD11 LEU 629 -0.583 2.695 1.557 677 HD12 LEU 629 HD12 LEU 629 -1.404 1.320 0.820 678 HD13 LEU 629 HD13 LEU 629 0.307 1.608 0.496 679 HD21 LEU 629 HD21 LEU 629 -2.068 0.609 3.198 680 HD22 LEU 629 HD22 LEU 629 -1.176 2.022 3.776 681 HD23 LEU 629 HD23 LEU 629 -0.786 0.421 4.400 682 H GLU 630 HN GLU 630 2.517 -1.760 1.757 683 HA GLU 630 HA GLU 630 2.197 -3.977 0.131 684 HB2 GLU 630 HB2 GLU 630 3.828 -2.204 -0.198 685 HB3 GLU 630 HB1 GLU 630 4.713 -2.748 1.218 686 HG2 GLU 630 HG2 GLU 630 4.860 -4.985 0.009 687 HG3 GLU 630 HG1 GLU 630 4.397 -4.078 -1.418 688 H ARG 631 HN ARG 631 3.914 -3.607 3.160 689 HA ARG 631 HA ARG 631 4.971 -6.169 3.515 690 HB2 ARG 631 HB2 ARG 631 5.641 -4.146 4.729 691 HB3 ARG 631 HB1 ARG 631 4.086 -4.110 5.528 692 HG2 ARG 631 HG2 ARG 631 4.648 -6.207 6.670 693 HG3 ARG 631 HG1 ARG 631 6.232 -6.191 5.881 694 HD2 ARG 631 HD2 ARG 631 6.723 -4.030 6.876 695 HD3 ARG 631 HD1 ARG 631 5.137 -4.006 7.636 696 HE ARG 631 HE ARG 631 6.891 -6.214 8.283 697 HH11 ARG 631 HH11 ARG 631 5.370 -3.155 9.266 698 HH12 ARG 631 HH12 ARG 631 5.963 -3.188 10.855 699 HH21 ARG 631 HH21 ARG 631 7.640 -6.310 10.532 700 HH22 ARG 631 HH22 ARG 631 7.277 -5.030 11.596 701 H TYR 632 HN TYR 632 1.820 -4.879 4.141 702 HA TYR 632 HA TYR 632 1.012 -7.140 5.711 703 HB2 TYR 632 HB2 TYR 632 0.005 -5.075 6.320 704 HB3 TYR 632 HB1 TYR 632 -0.554 -4.771 4.671 705 HD1 TYR 632 HD1 TYR 632 -2.573 -5.671 3.904 706 HD2 TYR 632 HD2 TYR 632 -1.005 -6.950 7.632 707 HE1 TYR 632 HE1 TYR 632 -4.617 -6.872 4.308 708 HE2 TYR 632 HE2 TYR 632 -3.079 -8.179 8.100 709 HH TYR 632 HH TYR 632 -5.430 -8.156 7.406 710 H VAL 633 HN VAL 633 0.199 -5.806 2.525 711 HA VAL 633 HA VAL 633 -1.501 -7.842 1.783 712 HB VAL 633 HB VAL 633 -1.267 -7.162 -0.526 713 HG11 VAL 633 HG11 VAL 633 -1.788 -4.790 -0.389 714 HG12 VAL 633 HG12 VAL 633 -1.121 -4.741 1.238 715 HG13 VAL 633 HG13 VAL 633 -2.565 -5.687 0.916 716 HG21 VAL 633 HG21 VAL 633 1.193 -5.614 0.326 717 HG22 VAL 633 HG22 VAL 633 0.402 -5.410 -1.227 718 HG23 VAL 633 HG23 VAL 633 1.132 -6.956 -0.806 719 H LYS 634 HN LYS 634 2.012 -7.660 1.452 720 HA LYS 634 HA LYS 634 2.241 -10.065 0.012 721 HB2 LYS 634 HB2 LYS 634 4.639 -9.838 0.324 722 HB3 LYS 634 HB1 LYS 634 3.943 -8.221 0.223 723 HG2 LYS 634 HG2 LYS 634 4.126 -7.914 2.566 724 HG3 LYS 634 HG1 LYS 634 4.691 -9.565 2.787 725 HD2 LYS 634 HD2 LYS 634 6.591 -8.030 2.848 726 HD3 LYS 634 HD1 LYS 634 6.685 -9.026 1.395 727 HE2 LYS 634 HE2 LYS 634 5.789 -7.210 0.056 728 HE3 LYS 634 HE1 LYS 634 5.559 -6.228 1.500 729 HZ1 LYS 634 HZ1 LYS 634 7.502 -5.514 0.401 730 HZ2 LYS 634 HZ2 LYS 634 8.139 -7.075 0.291 731 HZ3 LYS 634 HZ3 LYS 634 8.024 -6.322 1.784 732 H SER 635 HN SER 635 2.114 -9.323 3.452 733 HA SER 635 HA SER 635 2.877 -11.874 4.368 734 HB2 SER 635 HB2 SER 635 2.940 -9.778 5.745 735 HB3 SER 635 HB1 SER 635 1.179 -9.773 5.756 736 HG SER 635 HG SER 635 1.387 -10.953 7.453 737 H CYS 636 HN CYS 636 -0.156 -10.477 3.297 738 HA CYS 636 HA CYS 636 -1.732 -12.650 4.306 739 HB2 CYS 636 HB2 CYS 636 -2.607 -10.332 4.100 740 HB3 CYS 636 HB1 CYS 636 -2.460 -10.462 2.354 741 HG CYS 636 HG CYS 636 -4.708 -11.845 4.431 742 H LEU 637 HN LEU 637 -0.298 -11.671 1.254 743 HA LEU 637 HA LEU 637 -1.507 -13.579 -0.429 744 HB2 LEU 637 HB2 LEU 637 1.184 -12.274 -0.599 745 HB3 LEU 637 HB1 LEU 637 0.469 -13.215 -1.893 746 HG LEU 637 HG LEU 637 -0.560 -10.604 -0.785 747 HD11 LEU 637 HD11 LEU 637 0.079 -9.714 -2.941 748 HD12 LEU 637 HD12 LEU 637 0.757 -11.278 -3.392 749 HD13 LEU 637 HD13 LEU 637 1.460 -10.358 -2.058 750 HD21 LEU 637 HD21 LEU 637 -1.582 -12.283 -3.075 751 HD22 LEU 637 HD22 LEU 637 -2.136 -10.663 -2.659 752 HD23 LEU 637 HD23 LEU 637 -2.410 -11.997 -1.542 753 H GLN 638 HN GLN 638 1.221 -13.772 1.724 754 HA GLN 638 HA GLN 638 2.106 -16.332 0.758 755 HB2 GLN 638 HB2 GLN 638 2.777 -14.805 3.213 756 HB3 GLN 638 HB1 GLN 638 3.591 -16.286 2.729 757 HG2 GLN 638 HG2 GLN 638 4.387 -15.168 0.699 758 HG3 GLN 638 HG1 GLN 638 3.568 -13.690 1.194 759 HE21 GLN 638 HE21 GLN 638 5.250 -15.835 3.400 760 HE22 GLN 638 HE22 GLN 638 6.521 -14.735 3.779 761 H LYS 639 HN LYS 639 -0.501 -15.415 2.535 762 HA LYS 639 HA LYS 639 -0.455 -17.710 4.323 763 HB2 LYS 639 HB2 LYS 639 -0.939 -15.420 5.205 764 HB3 LYS 639 HB1 LYS 639 -2.358 -15.364 4.180 765 HG2 LYS 639 HG2 LYS 639 -3.347 -17.206 5.415 766 HG3 LYS 639 HG1 LYS 639 -1.878 -17.332 6.393 767 HD2 LYS 639 HD2 LYS 639 -2.221 -15.022 7.160 768 HD3 LYS 639 HD1 LYS 639 -3.729 -14.978 6.249 769 HE2 LYS 639 HE2 LYS 639 -4.669 -16.718 7.597 770 HE3 LYS 639 HE1 LYS 639 -3.133 -16.973 8.422 771 HZ1 LYS 639 HZ1 LYS 639 -4.785 -14.511 8.562 772 HZ2 LYS 639 HZ2 LYS 639 -3.312 -14.757 9.359 773 HZ3 LYS 639 HZ3 LYS 639 -4.648 -15.679 9.766 774 H LYS 640 HN LYS 640 -2.059 -19.255 4.214 775 HA LYS 640 HA LYS 640 -3.080 -19.788 1.624 776 HB2 LYS 640 HB2 LYS 640 -2.318 -21.608 2.988 777 HB3 LYS 640 HB1 LYS 640 -3.422 -21.184 4.280 778 HG2 LYS 640 HG2 LYS 640 -4.219 -23.148 3.121 779 HG3 LYS 640 HG1 LYS 640 -5.318 -21.807 2.822 780 HD2 LYS 640 HD2 LYS 640 -4.247 -21.438 0.638 781 HD3 LYS 640 HD1 LYS 640 -3.173 -22.804 0.950 782 HE2 LYS 640 HE2 LYS 640 -5.128 -24.289 1.087 783 HE3 LYS 640 HE1 LYS 640 -6.184 -22.917 0.760 784 HZ1 LYS 640 HZ1 LYS 640 -5.793 -24.180 -1.226 785 HZ2 LYS 640 HZ2 LYS 640 -4.125 -24.020 -1.063 786 HZ3 LYS 640 HZ3 LYS 640 -5.073 -22.669 -1.396 787 H GLN 641 HN GLN 641 -4.857 -18.856 0.823 788 HA GLN 641 HA GLN 641 -6.965 -18.191 2.678 789 HB2 GLN 641 HB2 GLN 641 -8.106 -17.036 0.785 790 HB3 GLN 641 HB1 GLN 641 -6.556 -16.348 1.190 791 HG2 GLN 641 HG2 GLN 641 -5.575 -17.520 -0.795 792 HG3 GLN 641 HG1 GLN 641 -7.209 -18.119 -1.130 793 HE21 GLN 641 HE21 GLN 641 -8.596 -15.828 -0.444 794 HE22 GLN 641 HE22 GLN 641 -8.332 -14.619 -1.642 795 H ARG 642 HN ARG 642 -8.538 -19.387 3.027 796 HA ARG 642 HA ARG 642 -8.897 -21.953 1.760 797 HB2 ARG 642 HB2 ARG 642 -10.611 -20.447 3.728 798 HB3 ARG 642 HB1 ARG 642 -10.752 -22.151 3.330 799 HG2 ARG 642 HG2 ARG 642 -8.793 -22.689 4.424 800 HG3 ARG 642 HG1 ARG 642 -8.218 -21.020 4.466 801 HD2 ARG 642 HD2 ARG 642 -10.610 -22.118 5.942 802 HD3 ARG 642 HD1 ARG 642 -9.040 -21.769 6.665 803 HE ARG 642 HE ARG 642 -9.911 -19.438 5.422 804 HH11 ARG 642 HH11 ARG 642 -10.866 -21.455 8.119 805 HH12 ARG 642 HH12 ARG 642 -11.617 -20.219 9.012 806 HH21 ARG 642 HH21 ARG 642 -11.029 -17.688 6.549 807 HH22 ARG 642 HH22 ARG 642 -11.683 -17.996 8.087 808 H LYS 643 HN LYS 643 -10.940 -19.180 2.278 809 HA LYS 643 HA LYS 643 -11.919 -18.795 -0.238 810 HB2 LYS 643 HB2 LYS 643 -13.210 -20.883 0.085 811 HB3 LYS 643 HB1 LYS 643 -13.867 -20.320 1.596 812 HG2 LYS 643 HG2 LYS 643 -15.020 -18.506 0.357 813 HG3 LYS 643 HG1 LYS 643 -14.419 -19.211 -1.145 814 HD2 LYS 643 HD2 LYS 643 -15.560 -21.306 -0.623 815 HD3 LYS 643 HD1 LYS 643 -16.156 -20.618 0.886 816 HE2 LYS 643 HE2 LYS 643 -17.909 -20.549 -0.768 817 HE3 LYS 643 HE1 LYS 643 -17.374 -18.909 -0.430 818 HZ1 LYS 643 HZ1 LYS 643 -16.079 -18.953 -2.483 819 HZ2 LYS 643 HZ2 LYS 643 -17.701 -19.285 -2.779 820 HZ3 LYS 643 HZ3 LYS 643 -16.582 -20.542 -2.785 821 HA PRO 644 HA PRO 644 -13.238 -15.686 2.993 822 HB2 PRO 644 HB2 PRO 644 -13.437 -16.545 5.673 823 HB3 PRO 644 HB1 PRO 644 -14.795 -16.345 4.563 824 HG2 PRO 644 HG2 PRO 644 -13.918 -18.774 5.662 825 HG3 PRO 644 HG1 PRO 644 -15.008 -18.589 4.275 826 HD2 PRO 644 HD2 PRO 644 -12.063 -19.053 4.333 827 HD3 PRO 644 HD1 PRO 644 -13.279 -19.759 3.250 Start of MODEL 13 1 H1 LYS 290 HT1 LYS 290 -9.696 15.939 -6.129 2 H2 LYS 290 HT2 LYS 290 -10.444 14.735 -7.077 3 H3 LYS 290 HT3 LYS 290 -9.746 16.065 -7.809 4 HA LYS 290 HA LYS 290 -7.574 15.394 -7.177 5 HB2 LYS 290 HB2 LYS 290 -8.977 12.972 -6.017 6 HB3 LYS 290 HB1 LYS 290 -7.249 13.142 -6.242 7 HG2 LYS 290 HG2 LYS 290 -7.235 14.987 -4.613 8 HG3 LYS 290 HG1 LYS 290 -8.973 14.771 -4.397 9 HD2 LYS 290 HD2 LYS 290 -7.708 13.673 -2.599 10 HD3 LYS 290 HD1 LYS 290 -8.617 12.509 -3.562 11 HE2 LYS 290 HE2 LYS 290 -6.606 11.892 -4.773 12 HE3 LYS 290 HE1 LYS 290 -5.690 13.141 -3.927 13 HZ1 LYS 290 HZ1 LYS 290 -6.957 10.789 -2.605 14 HZ2 LYS 290 HZ2 LYS 290 -5.897 11.945 -1.912 15 HZ3 LYS 290 HZ3 LYS 290 -5.355 10.916 -3.120 16 H VAL 291 HN VAL 291 -6.558 14.533 -8.874 17 HA VAL 291 HA VAL 291 -8.079 12.822 -10.675 18 HB VAL 291 HB VAL 291 -5.273 13.961 -10.980 19 HG11 VAL 291 HG11 VAL 291 -5.623 11.968 -12.315 20 HG12 VAL 291 HG12 VAL 291 -5.530 13.387 -13.361 21 HG13 VAL 291 HG13 VAL 291 -7.094 12.659 -12.998 22 HG21 VAL 291 HG21 VAL 291 -6.247 15.589 -12.549 23 HG22 VAL 291 HG22 VAL 291 -6.894 15.777 -10.920 24 HG23 VAL 291 HG23 VAL 291 -7.859 14.980 -12.165 25 H ALA 292 HN ALA 292 -4.877 13.023 -9.215 26 HA ALA 292 HA ALA 292 -3.424 11.582 -8.364 27 HB1 ALA 292 HB1 ALA 292 -5.887 10.172 -7.361 28 HB2 ALA 292 HB2 ALA 292 -5.110 11.555 -6.591 29 HB3 ALA 292 HB3 ALA 292 -4.259 10.011 -6.704 30 HA PRO 293 HA PRO 293 -3.003 8.921 -11.976 31 HB2 PRO 293 HB2 PRO 293 -0.446 8.524 -10.485 32 HB3 PRO 293 HB1 PRO 293 -0.712 8.787 -12.214 33 HG2 PRO 293 HG2 PRO 293 0.135 10.783 -10.711 34 HG3 PRO 293 HG1 PRO 293 -1.120 11.060 -11.935 35 HD2 PRO 293 HD2 PRO 293 -1.378 10.832 -8.972 36 HD3 PRO 293 HD1 PRO 293 -2.253 11.886 -10.107 37 H LEU 294 HN LEU 294 -1.966 7.893 -8.722 38 HA LEU 294 HA LEU 294 -3.068 5.286 -9.376 39 HB2 LEU 294 HB2 LEU 294 -0.702 5.120 -9.694 40 HB3 LEU 294 HB1 LEU 294 -0.396 5.821 -8.124 41 HG LEU 294 HG LEU 294 -1.196 3.809 -7.018 42 HD11 LEU 294 HD11 LEU 294 -1.716 2.708 -9.787 43 HD12 LEU 294 HD12 LEU 294 -2.947 3.104 -8.583 44 HD13 LEU 294 HD13 LEU 294 -1.783 1.811 -8.270 45 HD21 LEU 294 HD21 LEU 294 0.516 2.295 -7.769 46 HD22 LEU 294 HD22 LEU 294 1.103 3.958 -7.715 47 HD23 LEU 294 HD23 LEU 294 0.694 3.217 -9.259 48 H LYS 295 HN LYS 295 -4.769 5.196 -8.185 49 HA LYS 295 HA LYS 295 -4.462 5.056 -5.370 50 HB2 LYS 295 HB2 LYS 295 -6.536 6.536 -5.015 51 HB3 LYS 295 HB1 LYS 295 -5.020 7.349 -5.333 52 HG2 LYS 295 HG2 LYS 295 -6.759 8.488 -6.501 53 HG3 LYS 295 HG1 LYS 295 -5.756 7.674 -7.693 54 HD2 LYS 295 HD2 LYS 295 -7.459 5.917 -7.885 55 HD3 LYS 295 HD1 LYS 295 -8.441 6.736 -6.671 56 HE2 LYS 295 HE2 LYS 295 -9.263 7.278 -8.902 57 HE3 LYS 295 HE1 LYS 295 -8.590 8.708 -8.134 58 HZ1 LYS 295 HZ1 LYS 295 -6.580 8.457 -9.469 59 HZ2 LYS 295 HZ2 LYS 295 -7.927 8.511 -10.451 60 HZ3 LYS 295 HZ3 LYS 295 -7.178 7.040 -10.159 61 H ILE 296 HN ILE 296 -6.559 4.267 -4.400 62 HA ILE 296 HA ILE 296 -8.258 2.910 -6.291 63 HB ILE 296 HB ILE 296 -6.531 1.235 -6.006 64 HG12 ILE 296 HG12 ILE 296 -7.798 -0.660 -4.958 65 HG13 ILE 296 HG11 ILE 296 -8.970 0.512 -4.374 66 HG21 ILE 296 HG21 ILE 296 -5.489 1.978 -4.007 67 HG22 ILE 296 HG22 ILE 296 -5.924 0.274 -3.835 68 HG23 ILE 296 HG23 ILE 296 -6.894 1.520 -3.047 69 HD11 ILE 296 HD11 ILE 296 -9.528 1.104 -6.657 70 HD12 ILE 296 HD12 ILE 296 -9.740 -0.622 -6.374 71 HD13 ILE 296 HD13 ILE 296 -8.327 -0.038 -7.258 72 H LYS 297 HN LYS 297 -10.280 2.862 -5.629 73 HA LYS 297 HA LYS 297 -10.885 3.540 -2.836 74 HB2 LYS 297 HB2 LYS 297 -12.493 3.910 -5.365 75 HB3 LYS 297 HB1 LYS 297 -13.148 4.145 -3.757 76 HG2 LYS 297 HG2 LYS 297 -11.623 5.985 -3.373 77 HG3 LYS 297 HG1 LYS 297 -10.881 5.732 -4.964 78 HD2 LYS 297 HD2 LYS 297 -12.989 6.217 -6.052 79 HD3 LYS 297 HD1 LYS 297 -13.797 6.336 -4.492 80 HE2 LYS 297 HE2 LYS 297 -11.626 8.168 -5.510 81 HE3 LYS 297 HE1 LYS 297 -13.345 8.539 -5.474 82 HZ1 LYS 297 HZ1 LYS 297 -11.442 8.323 -3.235 83 HZ2 LYS 297 HZ2 LYS 297 -13.097 8.084 -2.940 84 HZ3 LYS 297 HZ3 LYS 297 -12.542 9.540 -3.564 85 H LEU 298 HN LEU 298 -11.562 1.882 -1.692 86 HA LEU 298 HA LEU 298 -12.473 -0.518 -3.022 87 HB2 LEU 298 HB2 LEU 298 -12.064 0.097 -0.102 88 HB3 LEU 298 HB1 LEU 298 -12.788 -1.383 -0.645 89 HG LEU 298 HG LEU 298 -10.443 -1.587 0.034 90 HD11 LEU 298 HD11 LEU 298 -9.714 -2.916 -1.987 91 HD12 LEU 298 HD12 LEU 298 -11.024 -2.174 -2.900 92 HD13 LEU 298 HD13 LEU 298 -11.390 -3.223 -1.533 93 HD21 LEU 298 HD21 LEU 298 -8.640 -0.845 -1.540 94 HD22 LEU 298 HD22 LEU 298 -9.452 0.479 -0.722 95 HD23 LEU 298 HD23 LEU 298 -9.844 0.111 -2.403 96 H GLY 299 HN GLY 299 -14.346 0.029 -3.947 97 HA2 GLY 299 HA2 GLY 299 -16.571 0.894 -2.286 98 HA3 GLY 299 HA1 GLY 299 -16.604 0.672 -4.036 99 H GLY 300 HN GLY 300 -17.467 -1.121 -4.815 100 HA2 GLY 300 HA2 GLY 300 -18.392 -3.112 -2.908 101 HA3 GLY 300 HA1 GLY 300 -18.932 -2.935 -4.573 102 H PHE 301 HN PHE 301 -16.033 -3.699 -2.715 103 HA PHE 301 HA PHE 301 -15.402 -5.789 -4.699 104 HB2 PHE 301 HB2 PHE 301 -13.407 -4.045 -3.216 105 HB3 PHE 301 HB1 PHE 301 -12.993 -5.388 -4.268 106 HD1 PHE 301 HD1 PHE 301 -13.878 -1.905 -4.085 107 HD2 PHE 301 HD2 PHE 301 -13.455 -5.218 -6.713 108 HE1 PHE 301 HE1 PHE 301 -13.811 -0.365 -6.002 109 HE2 PHE 301 HE2 PHE 301 -13.390 -3.689 -8.636 110 HZ PHE 301 HZ PHE 301 -13.564 -1.257 -8.283 111 H ALA 557 HN ALA 557 41.563 -5.245 15.658 112 HA ALA 557 HA ALA 557 40.726 -3.937 13.321 113 HB1 ALA 557 HB1 ALA 557 39.663 -5.890 12.255 114 HB2 ALA 557 HB2 ALA 557 40.436 -6.947 13.436 115 HB3 ALA 557 HB3 ALA 557 41.419 -6.045 12.284 116 H SER 558 HN SER 558 38.353 -3.948 13.262 117 HA SER 558 HA SER 558 36.971 -5.050 15.541 118 HB2 SER 558 HB2 SER 558 37.019 -2.045 15.090 119 HB3 SER 558 HB1 SER 558 36.007 -2.888 16.264 120 HG SER 558 HG SER 558 38.511 -3.685 16.578 121 H ALA 559 HN ALA 559 36.845 -2.962 12.700 122 HA ALA 559 HA ALA 559 35.504 -2.743 10.989 123 HB1 ALA 559 HB1 ALA 559 34.260 -4.638 10.123 124 HB2 ALA 559 HB2 ALA 559 34.367 -5.462 11.679 125 HB3 ALA 559 HB3 ALA 559 35.822 -5.200 10.721 126 H SER 560 HN SER 560 34.483 -1.014 11.812 127 HA SER 560 HA SER 560 31.957 -1.534 13.166 128 HB2 SER 560 HB2 SER 560 33.632 0.054 14.198 129 HB3 SER 560 HB1 SER 560 33.356 1.109 12.812 130 HG SER 560 HG SER 560 31.676 1.843 13.841 131 H TYR 561 HN TYR 561 30.452 -1.917 11.693 132 HA TYR 561 HA TYR 561 29.825 0.167 9.824 133 HB2 TYR 561 HB2 TYR 561 29.382 -1.484 7.989 134 HB3 TYR 561 HB1 TYR 561 31.082 -1.329 8.388 135 HD1 TYR 561 HD1 TYR 561 32.030 -3.007 9.838 136 HD2 TYR 561 HD2 TYR 561 28.342 -3.627 7.977 137 HE1 TYR 561 HE1 TYR 561 32.338 -5.492 10.128 138 HE2 TYR 561 HE2 TYR 561 28.568 -6.079 8.246 139 HH TYR 561 HH TYR 561 30.924 -7.439 10.258 140 H ASP 562 HN ASP 562 27.737 -0.818 8.699 141 HA ASP 562 HA ASP 562 25.954 -1.891 10.743 142 HB2 ASP 562 HB2 ASP 562 25.745 0.966 9.822 143 HB3 ASP 562 HB1 ASP 562 24.347 0.077 10.406 144 H SER 563 HN SER 563 23.648 -1.878 9.985 145 HA SER 563 HA SER 563 23.102 -1.718 7.217 146 HB2 SER 563 HB2 SER 563 22.415 -4.154 7.134 147 HB3 SER 563 HB1 SER 563 24.159 -3.854 7.143 148 HG SER 563 HG SER 563 22.688 -4.336 9.495 149 H GLU 564 HN GLU 564 21.015 -1.050 7.135 150 HA GLU 564 HA GLU 564 19.160 -1.965 9.190 151 HB2 GLU 564 HB2 GLU 564 20.046 0.284 9.844 152 HB3 GLU 564 HB1 GLU 564 19.409 0.866 8.294 153 HG2 GLU 564 HG2 GLU 564 17.169 0.401 9.011 154 HG3 GLU 564 HG1 GLU 564 17.764 -0.258 10.534 155 H GLU 565 HN GLU 565 17.102 -1.760 8.533 156 HA GLU 565 HA GLU 565 16.781 -1.871 5.610 157 HB2 GLU 565 HB2 GLU 565 14.975 -3.116 7.699 158 HB3 GLU 565 HB1 GLU 565 14.822 -3.288 5.958 159 HG2 GLU 565 HG2 GLU 565 16.982 -4.392 7.728 160 HG3 GLU 565 HG1 GLU 565 15.773 -5.290 6.809 161 H GLU 566 HN GLU 566 16.251 0.148 5.098 162 HA GLU 566 HA GLU 566 14.399 1.621 6.755 163 HB2 GLU 566 HB2 GLU 566 15.728 2.450 4.173 164 HB3 GLU 566 HB1 GLU 566 14.866 3.502 5.284 165 HG2 GLU 566 HG2 GLU 566 16.560 2.973 7.008 166 HG3 GLU 566 HG1 GLU 566 17.454 2.064 5.792 167 H GLU 567 HN GLU 567 12.996 -0.323 6.053 168 HA GLU 567 HA GLU 567 11.856 -0.558 3.499 169 HB2 GLU 567 HB2 GLU 567 10.593 -1.177 6.165 170 HB3 GLU 567 HB1 GLU 567 10.070 -1.778 4.600 171 HG2 GLU 567 HG2 GLU 567 12.104 -3.042 4.358 172 HG3 GLU 567 HG1 GLU 567 12.711 -2.391 5.884 173 H GLU 568 HN GLU 568 10.861 1.138 6.299 174 HA GLU 568 HA GLU 568 8.601 2.417 5.024 175 HB2 GLU 568 HB2 GLU 568 9.795 2.806 7.748 176 HB3 GLU 568 HB1 GLU 568 8.319 3.545 7.190 177 HG2 GLU 568 HG2 GLU 568 7.358 1.753 8.236 178 HG3 GLU 568 HG1 GLU 568 7.765 0.954 6.718 179 H GLY 569 HN GLY 569 11.514 2.928 4.366 180 HA2 GLY 569 HA2 GLY 569 11.297 5.846 4.321 181 HA3 GLY 569 HA1 GLY 569 12.776 5.117 4.935 182 H LEU 570 HN LEU 570 11.190 3.448 2.417 183 HA LEU 570 HA LEU 570 13.270 4.317 0.564 184 HB2 LEU 570 HB2 LEU 570 11.401 1.942 0.487 185 HB3 LEU 570 HB1 LEU 570 12.527 2.351 -0.787 186 HG LEU 570 HG LEU 570 13.281 1.557 2.025 187 HD11 LEU 570 HD11 LEU 570 14.069 -0.508 0.998 188 HD12 LEU 570 HD12 LEU 570 13.441 0.028 -0.561 189 HD13 LEU 570 HD13 LEU 570 12.333 -0.292 0.776 190 HD21 LEU 570 HD21 LEU 570 15.564 1.420 1.125 191 HD22 LEU 570 HD22 LEU 570 14.934 3.062 1.047 192 HD23 LEU 570 HD23 LEU 570 14.993 2.070 -0.412 193 HA PRO 571 HA PRO 571 10.063 6.650 -1.523 194 HB2 PRO 571 HB2 PRO 571 11.903 6.546 -3.812 195 HB3 PRO 571 HB1 PRO 571 11.217 7.949 -2.990 196 HG2 PRO 571 HG2 PRO 571 13.822 7.289 -2.720 197 HG3 PRO 571 HG1 PRO 571 12.894 8.010 -1.396 198 HD2 PRO 571 HD2 PRO 571 13.702 5.166 -1.817 199 HD3 PRO 571 HD1 PRO 571 13.592 6.110 -0.314 200 H MET 572 HN MET 572 8.448 5.718 -2.452 201 HA MET 572 HA MET 572 8.817 3.105 -3.623 202 HB2 MET 572 HB2 MET 572 6.306 4.649 -2.955 203 HB3 MET 572 HB1 MET 572 6.341 3.021 -3.622 204 HG2 MET 572 HG2 MET 572 7.655 3.768 -1.018 205 HG3 MET 572 HG1 MET 572 6.003 3.167 -1.130 206 HE1 MET 572 HE1 MET 572 5.352 0.710 -1.512 207 HE2 MET 572 HE2 MET 572 6.403 -0.494 -2.257 208 HE3 MET 572 HE3 MET 572 5.902 0.929 -3.172 209 H SER 573 HN SER 573 9.036 2.829 -5.664 210 HA SER 573 HA SER 573 8.715 5.016 -7.519 211 HB2 SER 573 HB2 SER 573 10.623 3.440 -7.659 212 HB3 SER 573 HB1 SER 573 9.484 2.126 -7.950 213 HG SER 573 HG SER 573 9.539 2.611 -9.919 214 H TYR 574 HN TYR 574 7.614 4.592 -9.586 215 HA TYR 574 HA TYR 574 4.843 4.486 -9.199 216 HB2 TYR 574 HB2 TYR 574 6.293 3.918 -11.792 217 HB3 TYR 574 HB1 TYR 574 4.665 4.540 -11.603 218 HD1 TYR 574 HD1 TYR 574 8.229 5.354 -11.428 219 HD2 TYR 574 HD2 TYR 574 4.280 6.876 -11.127 220 HE1 TYR 574 HE1 TYR 574 9.109 7.635 -11.582 221 HE2 TYR 574 HE2 TYR 574 5.154 9.166 -11.277 222 HH TYR 574 HH TYR 574 7.261 10.290 -10.794 223 H ASP 575 HN ASP 575 7.142 2.157 -10.341 224 HA ASP 575 HA ASP 575 5.221 0.146 -10.987 225 HB2 ASP 575 HB2 ASP 575 7.153 -1.357 -11.348 226 HB3 ASP 575 HB1 ASP 575 7.346 0.179 -12.173 227 H GLU 576 HN GLU 576 7.218 0.807 -8.130 228 HA GLU 576 HA GLU 576 6.623 -1.499 -6.694 229 HB2 GLU 576 HB2 GLU 576 7.224 1.321 -5.871 230 HB3 GLU 576 HB1 GLU 576 7.203 -0.056 -4.773 231 HG2 GLU 576 HG2 GLU 576 8.855 0.019 -7.225 232 HG3 GLU 576 HG1 GLU 576 9.442 0.673 -5.707 233 H LYS 577 HN LYS 577 5.147 1.724 -6.671 234 HA LYS 577 HA LYS 577 3.093 1.205 -4.847 235 HB2 LYS 577 HB2 LYS 577 3.156 3.122 -7.142 236 HB3 LYS 577 HB1 LYS 577 2.010 3.185 -5.816 237 HG2 LYS 577 HG2 LYS 577 3.890 3.583 -4.260 238 HG3 LYS 577 HG1 LYS 577 4.986 3.621 -5.647 239 HD2 LYS 577 HD2 LYS 577 3.734 5.476 -6.594 240 HD3 LYS 577 HD1 LYS 577 2.635 5.473 -5.222 241 HE2 LYS 577 HE2 LYS 577 4.637 5.855 -3.765 242 HE3 LYS 577 HE1 LYS 577 5.569 6.109 -5.243 243 HZ1 LYS 577 HZ1 LYS 577 3.917 7.896 -5.797 244 HZ2 LYS 577 HZ2 LYS 577 4.863 8.193 -4.421 245 HZ3 LYS 577 HZ3 LYS 577 3.272 7.653 -4.247 246 H ARG 578 HN ARG 578 3.182 1.023 -8.388 247 HA ARG 578 HA ARG 578 0.508 0.288 -8.692 248 HB2 ARG 578 HB2 ARG 578 1.884 1.024 -10.608 249 HB3 ARG 578 HB1 ARG 578 2.810 -0.463 -10.514 250 HG2 ARG 578 HG2 ARG 578 1.171 -0.571 -12.311 251 HG3 ARG 578 HG1 ARG 578 0.824 -1.763 -11.050 252 HD2 ARG 578 HD2 ARG 578 -0.871 -0.242 -10.095 253 HD3 ARG 578 HD1 ARG 578 -0.559 0.916 -11.381 254 HE ARG 578 HE ARG 578 -1.272 -1.196 -12.809 255 HH11 ARG 578 HH11 ARG 578 -2.776 0.047 -9.821 256 HH12 ARG 578 HH12 ARG 578 -4.326 -0.503 -10.219 257 HH21 ARG 578 HH21 ARG 578 -3.436 -1.874 -13.359 258 HH22 ARG 578 HH22 ARG 578 -4.731 -1.573 -12.296 259 H GLN 579 HN GLN 579 3.405 -1.777 -8.219 260 HA GLN 579 HA GLN 579 2.052 -4.202 -8.383 261 HB2 GLN 579 HB2 GLN 579 4.426 -4.086 -8.581 262 HB3 GLN 579 HB1 GLN 579 4.587 -3.315 -7.018 263 HG2 GLN 579 HG2 GLN 579 5.330 -5.615 -7.019 264 HG3 GLN 579 HG1 GLN 579 3.975 -5.317 -5.923 265 HE21 GLN 579 HE21 GLN 579 2.109 -6.417 -6.220 266 HE22 GLN 579 HE22 GLN 579 1.841 -7.628 -7.419 267 H LEU 580 HN LEU 580 2.673 -1.981 -5.766 268 HA LEU 580 HA LEU 580 1.722 -3.452 -3.589 269 HB2 LEU 580 HB2 LEU 580 2.805 -1.022 -3.952 270 HB3 LEU 580 HB1 LEU 580 1.134 -0.543 -3.820 271 HG LEU 580 HG LEU 580 2.768 -1.954 -1.719 272 HD11 LEU 580 HD11 LEU 580 1.709 0.854 -1.850 273 HD12 LEU 580 HD12 LEU 580 3.359 0.364 -2.162 274 HD13 LEU 580 HD13 LEU 580 2.676 0.158 -0.539 275 HD21 LEU 580 HD21 LEU 580 0.400 -2.608 -1.559 276 HD22 LEU 580 HD22 LEU 580 -0.074 -0.909 -1.543 277 HD23 LEU 580 HD23 LEU 580 0.873 -1.575 -0.213 278 H SER 581 HN SER 581 0.027 -1.379 -5.973 279 HA SER 581 HA SER 581 -2.544 -1.605 -4.862 280 HB2 SER 581 HB2 SER 581 -1.777 0.154 -6.492 281 HB3 SER 581 HB1 SER 581 -1.720 -1.080 -7.744 282 HG SER 581 HG SER 581 -4.115 -0.832 -6.358 283 H LEU 582 HN LEU 582 -0.662 -3.544 -7.090 284 HA LEU 582 HA LEU 582 -2.779 -5.238 -7.944 285 HB2 LEU 582 HB2 LEU 582 0.176 -5.820 -7.950 286 HB3 LEU 582 HB1 LEU 582 -1.048 -6.649 -8.893 287 HG LEU 582 HG LEU 582 -0.175 -3.796 -9.203 288 HD11 LEU 582 HD11 LEU 582 0.702 -4.555 -11.377 289 HD12 LEU 582 HD12 LEU 582 0.215 -6.201 -10.980 290 HD13 LEU 582 HD13 LEU 582 1.466 -5.405 -10.033 291 HD21 LEU 582 HD21 LEU 582 -1.607 -3.751 -11.207 292 HD22 LEU 582 HD22 LEU 582 -2.545 -4.015 -9.739 293 HD23 LEU 582 HD23 LEU 582 -2.190 -5.367 -10.818 294 H ASP 583 HN ASP 583 -0.344 -5.456 -5.372 295 HA ASP 583 HA ASP 583 -0.985 -8.074 -4.468 296 HB2 ASP 583 HB2 ASP 583 0.111 -5.694 -2.957 297 HB3 ASP 583 HB1 ASP 583 -0.087 -7.286 -2.251 298 H ILE 584 HN ILE 584 -2.227 -4.938 -3.616 299 HA ILE 584 HA ILE 584 -4.137 -5.809 -1.728 300 HB ILE 584 HB ILE 584 -4.047 -3.368 -3.513 301 HG12 ILE 584 HG12 ILE 584 -3.492 -3.649 -0.574 302 HG13 ILE 584 HG11 ILE 584 -2.242 -3.598 -1.825 303 HG21 ILE 584 HG21 ILE 584 -6.362 -3.728 -2.910 304 HG22 ILE 584 HG22 ILE 584 -5.731 -2.363 -1.977 305 HG23 ILE 584 HG23 ILE 584 -5.900 -3.954 -1.225 306 HD11 ILE 584 HD11 ILE 584 -4.208 -1.445 -1.140 307 HD12 ILE 584 HD12 ILE 584 -2.971 -1.335 -2.396 308 HD13 ILE 584 HD13 ILE 584 -2.504 -1.460 -0.695 309 H ASN 585 HN ASN 585 -4.210 -5.477 -5.212 310 HA ASN 585 HA ASN 585 -7.002 -5.937 -5.548 311 HB2 ASN 585 HB2 ASN 585 -5.492 -4.807 -7.225 312 HB3 ASN 585 HB1 ASN 585 -4.802 -6.384 -7.576 313 HD21 ASN 585 HD21 ASN 585 -6.040 -7.900 -8.721 314 HD22 ASN 585 HD22 ASN 585 -7.473 -7.465 -9.547 315 H ARG 586 HN ARG 586 -4.207 -7.928 -5.253 316 HA ARG 586 HA ARG 586 -5.277 -10.410 -6.114 317 HB2 ARG 586 HB2 ARG 586 -3.034 -9.722 -4.213 318 HB3 ARG 586 HB1 ARG 586 -3.430 -11.372 -4.633 319 HG2 ARG 586 HG2 ARG 586 -2.802 -10.952 -6.953 320 HG3 ARG 586 HG1 ARG 586 -2.526 -9.248 -6.585 321 HD2 ARG 586 HD2 ARG 586 -0.681 -9.809 -5.111 322 HD3 ARG 586 HD1 ARG 586 -1.034 -11.522 -5.265 323 HE ARG 586 HE ARG 586 -0.556 -10.903 -7.767 324 HH11 ARG 586 HH11 ARG 586 1.386 -9.695 -4.952 325 HH12 ARG 586 HH12 ARG 586 2.839 -9.924 -5.758 326 HH21 ARG 586 HH21 ARG 586 1.496 -11.147 -8.787 327 HH22 ARG 586 HH22 ARG 586 2.949 -10.717 -8.001 328 H LEU 587 HN LEU 587 -5.400 -8.578 -3.165 329 HA LEU 587 HA LEU 587 -6.372 -10.732 -1.521 330 HB2 LEU 587 HB2 LEU 587 -6.363 -7.768 -1.005 331 HB3 LEU 587 HB1 LEU 587 -6.724 -9.005 0.168 332 HG LEU 587 HG LEU 587 -4.061 -8.419 -1.100 333 HD11 LEU 587 HD11 LEU 587 -3.437 -7.862 1.163 334 HD12 LEU 587 HD12 LEU 587 -5.068 -8.225 1.723 335 HD13 LEU 587 HD13 LEU 587 -4.790 -6.869 0.626 336 HD21 LEU 587 HD21 LEU 587 -4.816 -10.583 0.866 337 HD22 LEU 587 HD22 LEU 587 -3.177 -10.143 0.374 338 HD23 LEU 587 HD23 LEU 587 -4.298 -10.821 -0.810 339 HA PRO 588 HA PRO 588 -10.680 -9.849 -2.325 340 HB2 PRO 588 HB2 PRO 588 -11.773 -11.128 -0.235 341 HB3 PRO 588 HB1 PRO 588 -11.011 -12.024 -1.552 342 HG2 PRO 588 HG2 PRO 588 -9.884 -11.299 1.128 343 HG3 PRO 588 HG1 PRO 588 -9.823 -12.861 0.278 344 HD2 PRO 588 HD2 PRO 588 -7.772 -11.085 0.281 345 HD3 PRO 588 HD1 PRO 588 -8.097 -12.195 -1.069 346 H GLY 589 HN GLY 589 -12.238 -8.412 -1.549 347 HA2 GLY 589 HA2 GLY 589 -11.359 -6.158 -0.148 348 HA3 GLY 589 HA1 GLY 589 -13.026 -6.509 -0.540 349 H GLU 590 HN GLU 590 -12.775 -9.046 1.084 350 HA GLU 590 HA GLU 590 -13.910 -8.199 3.457 351 HB2 GLU 590 HB2 GLU 590 -13.408 -10.466 4.348 352 HB3 GLU 590 HB1 GLU 590 -14.151 -10.498 2.756 353 HG2 GLU 590 HG2 GLU 590 -12.098 -11.045 1.721 354 HG3 GLU 590 HG1 GLU 590 -11.188 -10.716 3.192 355 H LYS 591 HN LYS 591 -10.487 -8.735 2.745 356 HA LYS 591 HA LYS 591 -9.940 -8.037 5.527 357 HB2 LYS 591 HB2 LYS 591 -8.277 -9.609 3.615 358 HB3 LYS 591 HB1 LYS 591 -7.619 -8.963 5.113 359 HG2 LYS 591 HG2 LYS 591 -9.792 -11.040 4.794 360 HG3 LYS 591 HG1 LYS 591 -8.213 -11.224 5.557 361 HD2 LYS 591 HD2 LYS 591 -8.940 -9.510 7.269 362 HD3 LYS 591 HD1 LYS 591 -10.548 -9.592 6.558 363 HE2 LYS 591 HE2 LYS 591 -10.540 -11.004 8.461 364 HE3 LYS 591 HE1 LYS 591 -10.561 -12.035 7.032 365 HZ1 LYS 591 HZ1 LYS 591 -8.168 -11.397 8.677 366 HZ2 LYS 591 HZ2 LYS 591 -8.164 -12.358 7.300 367 HZ3 LYS 591 HZ3 LYS 591 -8.999 -12.864 8.661 368 H LEU 592 HN LEU 592 -10.188 -6.392 2.853 369 HA LEU 592 HA LEU 592 -7.894 -4.777 2.929 370 HB2 LEU 592 HB2 LEU 592 -10.548 -4.761 1.764 371 HB3 LEU 592 HB1 LEU 592 -9.980 -3.160 2.175 372 HG LEU 592 HG LEU 592 -9.570 -3.794 -0.120 373 HD11 LEU 592 HD11 LEU 592 -8.144 -2.145 1.054 374 HD12 LEU 592 HD12 LEU 592 -7.272 -2.993 -0.205 375 HD13 LEU 592 HD13 LEU 592 -7.018 -3.436 1.484 376 HD21 LEU 592 HD21 LEU 592 -7.671 -5.840 1.020 377 HD22 LEU 592 HD22 LEU 592 -7.802 -5.386 -0.683 378 HD23 LEU 592 HD23 LEU 592 -9.165 -6.164 0.132 379 H GLY 593 HN GLY 593 -10.602 -5.128 4.942 380 HA2 GLY 593 HA2 GLY 593 -11.075 -2.669 6.084 381 HA3 GLY 593 HA1 GLY 593 -11.231 -4.191 6.937 382 H ARG 594 HN ARG 594 -8.389 -4.846 6.832 383 HA ARG 594 HA ARG 594 -7.685 -3.263 9.093 384 HB2 ARG 594 HB2 ARG 594 -7.147 -5.656 9.099 385 HB3 ARG 594 HB1 ARG 594 -6.050 -5.434 7.749 386 HG2 ARG 594 HG2 ARG 594 -4.864 -5.604 9.880 387 HG3 ARG 594 HG1 ARG 594 -4.609 -4.029 9.119 388 HD2 ARG 594 HD2 ARG 594 -6.321 -3.054 10.521 389 HD3 ARG 594 HD1 ARG 594 -6.633 -4.632 11.243 390 HE ARG 594 HE ARG 594 -3.927 -3.726 11.482 391 HH11 ARG 594 HH11 ARG 594 -7.150 -3.568 12.972 392 HH12 ARG 594 HH12 ARG 594 -6.581 -3.090 14.504 393 HH21 ARG 594 HH21 ARG 594 -3.144 -3.041 13.604 394 HH22 ARG 594 HH22 ARG 594 -4.241 -2.794 14.869 395 H VAL 595 HN VAL 595 -6.741 -3.358 5.741 396 HA VAL 595 HA VAL 595 -4.388 -1.761 5.975 397 HB VAL 595 HB VAL 595 -6.185 -1.793 3.564 398 HG11 VAL 595 HG11 VAL 595 -3.253 -1.410 3.772 399 HG12 VAL 595 HG12 VAL 595 -4.490 -0.206 3.392 400 HG13 VAL 595 HG13 VAL 595 -4.169 -1.527 2.268 401 HG21 VAL 595 HG21 VAL 595 -4.959 -3.733 2.698 402 HG22 VAL 595 HG22 VAL 595 -5.866 -4.122 4.163 403 HG23 VAL 595 HG23 VAL 595 -4.123 -3.860 4.245 404 H VAL 596 HN VAL 596 -7.785 -1.132 5.641 405 HA VAL 596 HA VAL 596 -7.814 1.634 5.145 406 HB VAL 596 HB VAL 596 -9.775 0.342 7.060 407 HG11 VAL 596 HG11 VAL 596 -11.372 1.812 5.893 408 HG12 VAL 596 HG12 VAL 596 -10.007 2.438 4.977 409 HG13 VAL 596 HG13 VAL 596 -10.075 2.693 6.735 410 HG21 VAL 596 HG21 VAL 596 -11.147 -0.443 5.250 411 HG22 VAL 596 HG22 VAL 596 -9.564 -1.205 5.128 412 HG23 VAL 596 HG23 VAL 596 -10.000 0.126 4.054 413 H HIS 597 HN HIS 597 -7.726 -0.130 8.226 414 HA HIS 597 HA HIS 597 -7.729 2.051 9.933 415 HB2 HIS 597 HB2 HIS 597 -8.304 -0.256 10.551 416 HB3 HIS 597 HB1 HIS 597 -6.664 -0.769 10.207 417 HD1 HIS 597 HD1 HIS 597 -8.817 0.241 12.857 418 HD2 HIS 597 HD2 HIS 597 -4.746 0.359 12.152 419 HE1 HIS 597 HE1 HIS 597 -7.723 0.477 15.125 420 H ILE 598 HN ILE 598 -5.209 0.190 8.364 421 HA ILE 598 HA ILE 598 -2.982 1.146 9.672 422 HB ILE 598 HB ILE 598 -3.265 0.127 6.819 423 HG12 ILE 598 HG12 ILE 598 -2.231 -1.193 9.337 424 HG13 ILE 598 HG11 ILE 598 -3.797 -1.486 8.597 425 HG21 ILE 598 HG21 ILE 598 -1.312 1.495 6.890 426 HG22 ILE 598 HG22 ILE 598 -0.920 -0.216 6.752 427 HG23 ILE 598 HG23 ILE 598 -0.699 0.612 8.308 428 HD11 ILE 598 HD11 ILE 598 -1.107 -2.127 7.393 429 HD12 ILE 598 HD12 ILE 598 -2.661 -2.421 6.617 430 HD13 ILE 598 HD13 ILE 598 -2.241 -3.280 8.093 431 H ILE 599 HN ILE 599 -4.618 2.394 6.766 432 HA ILE 599 HA ILE 599 -2.887 4.566 6.347 433 HB ILE 599 HB ILE 599 -5.750 4.097 5.516 434 HG12 ILE 599 HG12 ILE 599 -3.242 3.855 3.891 435 HG13 ILE 599 HG11 ILE 599 -3.881 2.517 4.840 436 HG21 ILE 599 HG21 ILE 599 -3.751 6.160 4.558 437 HG22 ILE 599 HG22 ILE 599 -5.257 6.484 5.406 438 HG23 ILE 599 HG23 ILE 599 -5.291 5.816 3.769 439 HD11 ILE 599 HD11 ILE 599 -5.310 3.953 2.635 440 HD12 ILE 599 HD12 ILE 599 -5.911 2.643 3.676 441 HD13 ILE 599 HD13 ILE 599 -4.562 2.334 2.577 442 H GLN 600 HN GLN 600 -5.910 4.217 8.160 443 HA GLN 600 HA GLN 600 -6.448 6.891 8.712 444 HB2 GLN 600 HB2 GLN 600 -6.991 4.540 10.509 445 HB3 GLN 600 HB1 GLN 600 -7.786 6.105 10.597 446 HG2 GLN 600 HG2 GLN 600 -8.392 5.724 8.208 447 HG3 GLN 600 HG1 GLN 600 -7.955 4.044 8.458 448 HE21 GLN 600 HE21 GLN 600 -10.215 6.501 9.077 449 HE22 GLN 600 HE22 GLN 600 -11.429 5.524 9.833 450 H SER 601 HN SER 601 -4.136 4.824 10.114 451 HA SER 601 HA SER 601 -3.651 6.188 12.526 452 HB2 SER 601 HB2 SER 601 -1.899 4.467 10.828 453 HB3 SER 601 HB1 SER 601 -1.580 4.856 12.529 454 HG SER 601 HG SER 601 -3.706 3.289 11.433 455 H ARG 602 HN ARG 602 -2.331 6.543 9.275 456 HA ARG 602 HA ARG 602 -0.459 8.646 10.135 457 HB2 ARG 602 HB2 ARG 602 0.080 6.724 8.483 458 HB3 ARG 602 HB1 ARG 602 -0.950 7.559 7.354 459 HG2 ARG 602 HG2 ARG 602 1.673 8.581 8.484 460 HG3 ARG 602 HG1 ARG 602 1.421 7.927 6.879 461 HD2 ARG 602 HD2 ARG 602 1.353 10.142 6.355 462 HD3 ARG 602 HD1 ARG 602 -0.332 9.953 6.798 463 HE ARG 602 HE ARG 602 1.385 10.605 9.010 464 HH11 ARG 602 HH11 ARG 602 -0.696 11.993 6.498 465 HH12 ARG 602 HH12 ARG 602 -0.824 13.500 7.265 466 HH21 ARG 602 HH21 ARG 602 1.182 12.625 10.065 467 HH22 ARG 602 HH22 ARG 602 0.250 13.874 9.371 468 H GLU 603 HN GLU 603 -3.147 7.982 8.012 469 HA GLU 603 HA GLU 603 -3.285 10.742 7.209 470 HB2 GLU 603 HB2 GLU 603 -4.298 8.229 6.004 471 HB3 GLU 603 HB1 GLU 603 -5.012 9.764 5.544 472 HG2 GLU 603 HG2 GLU 603 -2.125 8.942 5.275 473 HG3 GLU 603 HG1 GLU 603 -3.293 9.160 3.969 474 HA PRO 604 HA PRO 604 -6.776 10.917 9.883 475 HB2 PRO 604 HB2 PRO 604 -6.667 13.511 10.401 476 HB3 PRO 604 HB1 PRO 604 -5.342 12.373 10.836 477 HG2 PRO 604 HG2 PRO 604 -5.427 14.158 8.427 478 HG3 PRO 604 HG1 PRO 604 -4.197 14.110 9.707 479 HD2 PRO 604 HD2 PRO 604 -4.029 12.672 7.408 480 HD3 PRO 604 HD1 PRO 604 -3.307 12.140 8.945 481 H SER 605 HN SER 605 -6.110 12.066 6.802 482 HA SER 605 HA SER 605 -8.542 13.419 6.183 483 HB2 SER 605 HB2 SER 605 -6.350 13.761 4.977 484 HB3 SER 605 HB1 SER 605 -6.520 12.146 4.299 485 HG SER 605 HG SER 605 -8.035 14.453 3.858 486 H LEU 606 HN LEU 606 -7.465 10.182 6.364 487 HA LEU 606 HA LEU 606 -9.538 9.052 4.737 488 HB2 LEU 606 HB2 LEU 606 -7.257 8.065 5.178 489 HB3 LEU 606 HB1 LEU 606 -7.753 7.717 6.802 490 HG LEU 606 HG LEU 606 -7.798 5.674 5.491 491 HD11 LEU 606 HD11 LEU 606 -10.699 6.428 5.654 492 HD12 LEU 606 HD12 LEU 606 -9.742 6.013 7.048 493 HD13 LEU 606 HD13 LEU 606 -9.979 4.814 5.780 494 HD21 LEU 606 HD21 LEU 606 -9.108 5.424 3.447 495 HD22 LEU 606 HD22 LEU 606 -7.854 6.651 3.289 496 HD23 LEU 606 HD23 LEU 606 -9.536 7.133 3.519 497 H ARG 607 HN ARG 607 -8.840 9.109 8.198 498 HA ARG 607 HA ARG 607 -11.261 8.222 9.223 499 HB2 ARG 607 HB2 ARG 607 -9.351 10.282 10.266 500 HB3 ARG 607 HB1 ARG 607 -10.691 9.613 11.183 501 HG2 ARG 607 HG2 ARG 607 -9.740 7.406 10.966 502 HG3 ARG 607 HG1 ARG 607 -8.385 8.081 10.057 503 HD2 ARG 607 HD2 ARG 607 -9.130 9.299 12.586 504 HD3 ARG 607 HD1 ARG 607 -8.303 7.725 12.735 505 HE ARG 607 HE ARG 607 -6.458 8.861 11.539 506 HH11 ARG 607 HH11 ARG 607 -8.891 10.982 13.052 507 HH12 ARG 607 HH12 ARG 607 -7.777 12.152 13.550 508 HH21 ARG 607 HH21 ARG 607 -4.893 10.515 12.312 509 HH22 ARG 607 HH22 ARG 607 -5.462 11.869 13.140 510 H ASP 608 HN ASP 608 -10.310 11.314 8.135 511 HA ASP 608 HA ASP 608 -12.555 12.853 8.983 512 HB2 ASP 608 HB2 ASP 608 -10.361 13.820 8.235 513 HB3 ASP 608 HB1 ASP 608 -10.792 13.404 6.586 514 H SER 609 HN SER 609 -12.049 10.759 6.296 515 HA SER 609 HA SER 609 -14.461 11.609 4.908 516 HB2 SER 609 HB2 SER 609 -12.333 11.084 3.635 517 HB3 SER 609 HB1 SER 609 -12.457 9.427 4.204 518 HG SER 609 HG SER 609 -13.447 9.296 2.314 519 H ASN 610 HN ASN 610 -15.366 9.207 3.980 520 HA ASN 610 HA ASN 610 -16.615 8.041 6.345 521 HB2 ASN 610 HB2 ASN 610 -17.061 7.632 3.381 522 HB3 ASN 610 HB1 ASN 610 -17.856 6.658 4.591 523 HD21 ASN 610 HD21 ASN 610 -17.331 10.068 5.232 524 HD22 ASN 610 HD22 ASN 610 -18.973 10.525 5.023 525 HA PRO 611 HA PRO 611 -13.788 4.596 6.314 526 HB2 PRO 611 HB2 PRO 611 -15.138 2.883 7.916 527 HB3 PRO 611 HB1 PRO 611 -14.371 4.340 8.556 528 HG2 PRO 611 HG2 PRO 611 -17.245 3.832 7.929 529 HG3 PRO 611 HG1 PRO 611 -16.533 4.725 9.281 530 HD2 PRO 611 HD2 PRO 611 -17.591 5.901 7.006 531 HD3 PRO 611 HD1 PRO 611 -16.391 6.664 8.068 532 H ASP 612 HN ASP 612 -16.854 4.629 5.102 533 HA ASP 612 HA ASP 612 -17.327 2.000 4.180 534 HB2 ASP 612 HB2 ASP 612 -19.023 3.818 4.226 535 HB3 ASP 612 HB1 ASP 612 -18.161 4.607 2.926 536 H GLU 613 HN GLU 613 -15.764 4.809 2.810 537 HA GLU 613 HA GLU 613 -14.755 3.107 0.642 538 HB2 GLU 613 HB2 GLU 613 -16.257 4.926 -0.107 539 HB3 GLU 613 HB1 GLU 613 -15.177 6.085 0.649 540 HG2 GLU 613 HG2 GLU 613 -13.375 5.327 -0.866 541 HG3 GLU 613 HG1 GLU 613 -14.556 4.300 -1.683 542 H ILE 614 HN ILE 614 -12.792 2.593 1.110 543 HA ILE 614 HA ILE 614 -10.956 4.486 2.359 544 HB ILE 614 HB ILE 614 -10.730 2.302 3.274 545 HG12 ILE 614 HG12 ILE 614 -8.531 2.939 1.298 546 HG13 ILE 614 HG11 ILE 614 -8.568 3.276 3.021 547 HG21 ILE 614 HG21 ILE 614 -11.882 1.011 1.725 548 HG22 ILE 614 HG22 ILE 614 -10.238 0.327 1.843 549 HG23 ILE 614 HG23 ILE 614 -10.683 1.400 0.497 550 HD11 ILE 614 HD11 ILE 614 -8.336 0.575 1.742 551 HD12 ILE 614 HD12 ILE 614 -8.333 0.884 3.475 552 HD13 ILE 614 HD13 ILE 614 -7.010 1.474 2.466 553 H GLU 615 HN GLU 615 -9.547 5.505 1.253 554 HA GLU 615 HA GLU 615 -9.193 4.785 -1.532 555 HB2 GLU 615 HB2 GLU 615 -10.329 6.936 -1.304 556 HB3 GLU 615 HB1 GLU 615 -9.052 7.511 -0.243 557 HG2 GLU 615 HG2 GLU 615 -7.447 7.301 -2.086 558 HG3 GLU 615 HG1 GLU 615 -8.760 6.780 -3.144 559 H ILE 616 HN ILE 616 -7.285 3.977 -1.789 560 HA ILE 616 HA ILE 616 -5.146 4.694 0.070 561 HB ILE 616 HB ILE 616 -5.135 2.572 -2.083 562 HG12 ILE 616 HG12 ILE 616 -5.731 2.279 0.869 563 HG13 ILE 616 HG11 ILE 616 -6.902 2.136 -0.426 564 HG21 ILE 616 HG21 ILE 616 -3.342 3.005 0.318 565 HG22 ILE 616 HG22 ILE 616 -2.913 3.301 -1.367 566 HG23 ILE 616 HG23 ILE 616 -3.227 1.658 -0.816 567 HD11 ILE 616 HD11 ILE 616 -4.559 0.316 0.050 568 HD12 ILE 616 HD12 ILE 616 -5.738 0.160 -1.254 569 HD13 ILE 616 HD13 ILE 616 -6.246 -0.035 0.423 570 H ASP 617 HN ASP 617 -4.282 6.515 -0.605 571 HA ASP 617 HA ASP 617 -3.887 6.956 -3.468 572 HB2 ASP 617 HB2 ASP 617 -4.983 8.752 -2.153 573 HB3 ASP 617 HB1 ASP 617 -3.548 8.859 -1.139 574 H PHE 618 HN PHE 618 -2.061 6.173 -4.150 575 HA PHE 618 HA PHE 618 0.017 5.510 -2.335 576 HB2 PHE 618 HB2 PHE 618 -0.063 5.291 -5.346 577 HB3 PHE 618 HB1 PHE 618 1.164 4.598 -4.293 578 HD1 PHE 618 HD1 PHE 618 0.769 2.619 -3.042 579 HD2 PHE 618 HD2 PHE 618 -2.351 4.365 -5.336 580 HE1 PHE 618 HE1 PHE 618 -0.571 0.576 -2.785 581 HE2 PHE 618 HE2 PHE 618 -3.692 2.328 -5.086 582 HZ PHE 618 HZ PHE 618 -2.801 0.427 -3.804 583 H GLU 619 HN GLU 619 -0.669 8.390 -3.900 584 HA GLU 619 HA GLU 619 2.093 9.113 -4.448 585 HB2 GLU 619 HB2 GLU 619 -0.461 10.664 -4.692 586 HB3 GLU 619 HB1 GLU 619 1.123 11.248 -5.171 587 HG2 GLU 619 HG2 GLU 619 -0.262 8.854 -6.266 588 HG3 GLU 619 HG1 GLU 619 -0.207 10.472 -6.993 589 H THR 620 HN THR 620 -0.545 10.048 -2.360 590 HA THR 620 HA THR 620 1.112 12.022 -1.125 591 HB THR 620 HB THR 620 -1.576 11.516 0.038 592 HG1 THR 620 HG1 THR 620 -1.741 11.164 -2.409 593 HG21 THR 620 HG21 THR 620 -0.200 13.792 -1.225 594 HG22 THR 620 HG22 THR 620 -0.075 13.423 0.512 595 HG23 THR 620 HG23 THR 620 -1.640 13.924 -0.209 596 H LEU 621 HN LEU 621 0.112 8.777 -0.460 597 HA LEU 621 HA LEU 621 0.590 8.741 2.338 598 HB2 LEU 621 HB2 LEU 621 0.589 6.680 0.187 599 HB3 LEU 621 HB1 LEU 621 1.084 6.261 1.816 600 HG LEU 621 HG LEU 621 -1.633 7.408 1.142 601 HD11 LEU 621 HD11 LEU 621 -0.749 4.567 1.618 602 HD12 LEU 621 HD12 LEU 621 -1.321 5.216 0.076 603 HD13 LEU 621 HD13 LEU 621 -2.424 5.096 1.452 604 HD21 LEU 621 HD21 LEU 621 -2.171 6.538 3.351 605 HD22 LEU 621 HD22 LEU 621 -0.880 7.747 3.435 606 HD23 LEU 621 HD23 LEU 621 -0.490 6.018 3.521 607 H LYS 622 HN LYS 622 2.326 8.295 3.482 608 HA LYS 622 HA LYS 622 4.901 8.816 2.305 609 HB2 LYS 622 HB2 LYS 622 4.036 8.189 5.130 610 HB3 LYS 622 HB1 LYS 622 5.686 8.538 4.662 611 HG2 LYS 622 HG2 LYS 622 3.352 10.428 4.442 612 HG3 LYS 622 HG1 LYS 622 4.614 10.457 5.678 613 HD2 LYS 622 HD2 LYS 622 6.274 10.727 3.778 614 HD3 LYS 622 HD1 LYS 622 4.889 11.007 2.728 615 HE2 LYS 622 HE2 LYS 622 5.779 13.135 3.457 616 HE3 LYS 622 HE1 LYS 622 4.195 12.877 4.191 617 HZ1 LYS 622 HZ1 LYS 622 5.299 12.182 6.226 618 HZ2 LYS 622 HZ2 LYS 622 5.752 13.729 5.809 619 HZ3 LYS 622 HZ3 LYS 622 6.816 12.464 5.545 620 HA PRO 623 HA PRO 623 6.508 4.660 1.716 621 HB2 PRO 623 HB2 PRO 623 8.798 4.893 3.403 622 HB3 PRO 623 HB1 PRO 623 8.733 5.099 1.672 623 HG2 PRO 623 HG2 PRO 623 8.702 7.142 3.807 624 HG3 PRO 623 HG1 PRO 623 9.288 7.272 2.144 625 HD2 PRO 623 HD2 PRO 623 7.012 8.455 2.950 626 HD3 PRO 623 HD1 PRO 623 7.189 7.792 1.314 627 H THR 624 HN THR 624 6.195 5.948 4.962 628 HA THR 624 HA THR 624 6.651 3.603 6.435 629 HB THR 624 HB THR 624 5.052 4.988 8.031 630 HG1 THR 624 HG1 THR 624 5.975 7.242 6.851 631 HG21 THR 624 HG21 THR 624 7.857 5.832 7.249 632 HG22 THR 624 HG22 THR 624 7.408 4.703 8.540 633 HG23 THR 624 HG23 THR 624 7.013 6.409 8.679 634 H THR 625 HN THR 625 3.653 5.216 5.544 635 HA THR 625 HA THR 625 2.003 3.157 6.465 636 HB THR 625 HB THR 625 1.411 5.271 4.420 637 HG1 THR 625 HG1 THR 625 1.810 5.285 7.196 638 HG21 THR 625 HG21 THR 625 -0.862 5.131 5.407 639 HG22 THR 625 HG22 THR 625 -0.309 3.832 6.467 640 HG23 THR 625 HG23 THR 625 -0.352 3.592 4.717 641 H LEU 626 HN LEU 626 3.160 4.097 3.238 642 HA LEU 626 HA LEU 626 1.823 2.248 1.736 643 HB2 LEU 626 HB2 LEU 626 4.563 3.412 1.351 644 HB3 LEU 626 HB1 LEU 626 3.820 2.375 0.151 645 HG LEU 626 HG LEU 626 2.578 4.932 1.134 646 HD11 LEU 626 HD11 LEU 626 4.724 5.387 -0.012 647 HD12 LEU 626 HD12 LEU 626 3.353 5.924 -0.977 648 HD13 LEU 626 HD13 LEU 626 4.188 4.424 -1.390 649 HD21 LEU 626 HD21 LEU 626 2.012 3.167 -1.241 650 HD22 LEU 626 HD22 LEU 626 1.237 4.713 -0.905 651 HD23 LEU 626 HD23 LEU 626 0.996 3.356 0.191 652 H ARG 627 HN ARG 627 4.998 1.852 3.316 653 HA ARG 627 HA ARG 627 5.432 -0.785 2.493 654 HB2 ARG 627 HB2 ARG 627 7.221 0.653 3.367 655 HB3 ARG 627 HB1 ARG 627 6.473 0.621 4.955 656 HG2 ARG 627 HG2 ARG 627 8.349 -0.883 4.892 657 HG3 ARG 627 HG1 ARG 627 6.860 -1.802 5.074 658 HD2 ARG 627 HD2 ARG 627 6.867 -2.363 2.703 659 HD3 ARG 627 HD1 ARG 627 8.294 -1.361 2.452 660 HE ARG 627 HE ARG 627 8.951 -3.266 4.378 661 HH11 ARG 627 HH11 ARG 627 7.899 -3.386 0.992 662 HH12 ARG 627 HH12 ARG 627 8.946 -4.662 0.593 663 HH21 ARG 627 HH21 ARG 627 10.306 -4.972 3.840 664 HH22 ARG 627 HH22 ARG 627 10.380 -5.606 2.238 665 H GLU 628 HN GLU 628 3.705 0.551 5.391 666 HA GLU 628 HA GLU 628 3.433 -1.754 6.783 667 HB2 GLU 628 HB2 GLU 628 2.291 0.874 6.429 668 HB3 GLU 628 HB1 GLU 628 1.338 -0.213 7.351 669 HG2 GLU 628 HG2 GLU 628 4.207 0.698 7.849 670 HG3 GLU 628 HG1 GLU 628 2.800 1.229 8.761 671 H LEU 629 HN LEU 629 1.300 -0.153 4.458 672 HA LEU 629 HA LEU 629 -0.873 -1.968 4.297 673 HB2 LEU 629 HB2 LEU 629 0.272 -0.747 1.786 674 HB3 LEU 629 HB1 LEU 629 -1.406 -1.033 2.208 675 HG LEU 629 HG LEU 629 0.318 1.127 3.378 676 HD11 LEU 629 HD11 LEU 629 -1.839 1.231 1.304 677 HD12 LEU 629 HD12 LEU 629 -0.109 1.505 1.056 678 HD13 LEU 629 HD13 LEU 629 -1.047 2.611 2.067 679 HD21 LEU 629 HD21 LEU 629 -1.715 1.998 4.288 680 HD22 LEU 629 HD22 LEU 629 -1.497 0.342 4.873 681 HD23 LEU 629 HD23 LEU 629 -2.641 0.690 3.579 682 H GLU 630 HN GLU 630 2.103 -1.788 2.391 683 HA GLU 630 HA GLU 630 1.772 -4.020 0.782 684 HB2 GLU 630 HB2 GLU 630 3.363 -2.210 0.353 685 HB3 GLU 630 HB1 GLU 630 4.318 -2.720 1.731 686 HG2 GLU 630 HG2 GLU 630 4.751 -4.858 0.623 687 HG3 GLU 630 HG1 GLU 630 3.831 -4.301 -0.768 688 H ARG 631 HN ARG 631 3.295 -3.650 3.887 689 HA ARG 631 HA ARG 631 4.563 -6.149 4.254 690 HB2 ARG 631 HB2 ARG 631 4.626 -3.835 5.457 691 HB3 ARG 631 HB1 ARG 631 3.330 -4.494 6.416 692 HG2 ARG 631 HG2 ARG 631 4.831 -6.267 7.187 693 HG3 ARG 631 HG1 ARG 631 6.135 -5.555 6.214 694 HD2 ARG 631 HD2 ARG 631 5.463 -3.351 7.420 695 HD3 ARG 631 HD1 ARG 631 4.738 -4.424 8.603 696 HE ARG 631 HE ARG 631 7.141 -5.428 8.549 697 HH11 ARG 631 HH11 ARG 631 6.068 -2.036 8.741 698 HH12 ARG 631 HH12 ARG 631 7.598 -1.442 9.212 699 HH21 ARG 631 HH21 ARG 631 9.232 -4.571 9.287 700 HH22 ARG 631 HH22 ARG 631 9.378 -2.904 9.568 701 H TYR 632 HN TYR 632 1.362 -4.966 4.844 702 HA TYR 632 HA TYR 632 0.509 -7.327 6.237 703 HB2 TYR 632 HB2 TYR 632 -0.427 -5.332 6.984 704 HB3 TYR 632 HB1 TYR 632 -0.906 -4.837 5.357 705 HD1 TYR 632 HD1 TYR 632 -2.932 -5.555 4.437 706 HD2 TYR 632 HD2 TYR 632 -1.662 -7.167 8.148 707 HE1 TYR 632 HE1 TYR 632 -5.106 -6.529 4.707 708 HE2 TYR 632 HE2 TYR 632 -3.887 -8.180 8.469 709 HH TYR 632 HH TYR 632 -6.214 -8.188 5.896 710 H VAL 633 HN VAL 633 -0.134 -5.844 3.090 711 HA VAL 633 HA VAL 633 -1.839 -7.849 2.230 712 HB VAL 633 HB VAL 633 -1.506 -7.121 -0.074 713 HG11 VAL 633 HG11 VAL 633 -1.588 -4.772 1.795 714 HG12 VAL 633 HG12 VAL 633 -2.963 -5.735 1.239 715 HG13 VAL 633 HG13 VAL 633 -2.035 -4.766 0.091 716 HG21 VAL 633 HG21 VAL 633 0.128 -5.272 -0.586 717 HG22 VAL 633 HG22 VAL 633 0.835 -6.845 -0.227 718 HG23 VAL 633 HG23 VAL 633 0.826 -5.600 1.010 719 H LYS 634 HN LYS 634 1.664 -7.637 2.084 720 HA LYS 634 HA LYS 634 1.983 -9.931 0.495 721 HB2 LYS 634 HB2 LYS 634 4.377 -9.774 0.984 722 HB3 LYS 634 HB1 LYS 634 3.673 -8.162 0.908 723 HG2 LYS 634 HG2 LYS 634 3.735 -7.919 3.243 724 HG3 LYS 634 HG1 LYS 634 4.262 -9.578 3.461 725 HD2 LYS 634 HD2 LYS 634 6.166 -8.106 3.716 726 HD3 LYS 634 HD1 LYS 634 6.358 -9.045 2.242 727 HE2 LYS 634 HE2 LYS 634 5.194 -6.281 2.219 728 HE3 LYS 634 HE1 LYS 634 6.937 -6.518 2.201 729 HZ1 LYS 634 HZ1 LYS 634 6.103 -6.210 -0.032 730 HZ2 LYS 634 HZ2 LYS 634 5.009 -7.464 0.092 731 HZ3 LYS 634 HZ3 LYS 634 6.668 -7.764 0.114 732 H SER 635 HN SER 635 1.689 -9.519 3.987 733 HA SER 635 HA SER 635 2.357 -12.224 4.500 734 HB2 SER 635 HB2 SER 635 1.242 -11.647 6.802 735 HB3 SER 635 HB1 SER 635 2.782 -10.911 6.360 736 HG SER 635 HG SER 635 1.863 -9.059 6.030 737 H CYS 636 HN CYS 636 -0.630 -10.562 3.889 738 HA CYS 636 HA CYS 636 -2.257 -12.836 4.581 739 HB2 CYS 636 HB2 CYS 636 -2.953 -10.452 4.921 740 HB3 CYS 636 HB1 CYS 636 -3.046 -10.279 3.180 741 HG CYS 636 HG CYS 636 -4.831 -12.672 3.282 742 H LEU 637 HN LEU 637 -0.703 -11.561 1.777 743 HA LEU 637 HA LEU 637 -2.119 -12.627 -0.342 744 HB2 LEU 637 HB2 LEU 637 0.067 -11.105 0.030 745 HB3 LEU 637 HB1 LEU 637 0.836 -12.629 -0.349 746 HG LEU 637 HG LEU 637 -0.614 -12.652 -2.397 747 HD11 LEU 637 HD11 LEU 637 -0.924 -9.771 -1.630 748 HD12 LEU 637 HD12 LEU 637 -2.206 -10.973 -1.765 749 HD13 LEU 637 HD13 LEU 637 -1.329 -10.449 -3.203 750 HD21 LEU 637 HD21 LEU 637 1.524 -10.551 -2.096 751 HD22 LEU 637 HD22 LEU 637 0.955 -11.210 -3.628 752 HD23 LEU 637 HD23 LEU 637 1.785 -12.254 -2.472 753 H GLN 638 HN GLN 638 0.611 -13.788 1.503 754 HA GLN 638 HA GLN 638 0.745 -16.335 0.211 755 HB2 GLN 638 HB2 GLN 638 2.025 -15.256 2.652 756 HB3 GLN 638 HB1 GLN 638 2.479 -16.794 1.919 757 HG2 GLN 638 HG2 GLN 638 3.211 -15.645 -0.085 758 HG3 GLN 638 HG1 GLN 638 2.653 -14.106 0.558 759 HE21 GLN 638 HE21 GLN 638 4.310 -16.522 2.482 760 HE22 GLN 638 HE22 GLN 638 5.743 -15.592 2.704 761 H LYS 639 HN LYS 639 0.101 -15.360 3.573 762 HA LYS 639 HA LYS 639 -1.438 -17.811 3.841 763 HB2 LYS 639 HB2 LYS 639 -0.136 -16.070 5.942 764 HB3 LYS 639 HB1 LYS 639 -1.237 -17.383 6.318 765 HG2 LYS 639 HG2 LYS 639 0.298 -18.965 5.197 766 HG3 LYS 639 HG1 LYS 639 1.415 -17.641 4.900 767 HD2 LYS 639 HD2 LYS 639 0.511 -18.339 7.688 768 HD3 LYS 639 HD1 LYS 639 1.836 -19.202 6.923 769 HE2 LYS 639 HE2 LYS 639 2.719 -17.468 8.340 770 HE3 LYS 639 HE1 LYS 639 3.041 -17.054 6.670 771 HZ1 LYS 639 HZ1 LYS 639 2.309 -15.161 8.024 772 HZ2 LYS 639 HZ2 LYS 639 0.852 -15.899 8.332 773 HZ3 LYS 639 HZ3 LYS 639 1.271 -15.435 6.737 774 H LYS 640 HN LYS 640 -3.432 -17.459 3.360 775 HA LYS 640 HA LYS 640 -4.852 -15.107 3.243 776 HB2 LYS 640 HB2 LYS 640 -5.630 -17.182 2.223 777 HB3 LYS 640 HB1 LYS 640 -5.812 -17.925 3.793 778 HG2 LYS 640 HG2 LYS 640 -7.970 -17.344 2.859 779 HG3 LYS 640 HG1 LYS 640 -7.643 -16.407 4.314 780 HD2 LYS 640 HD2 LYS 640 -7.107 -14.466 2.994 781 HD3 LYS 640 HD1 LYS 640 -7.243 -15.394 1.501 782 HE2 LYS 640 HE2 LYS 640 -9.249 -14.019 1.945 783 HE3 LYS 640 HE1 LYS 640 -9.620 -15.740 1.884 784 HZ1 LYS 640 HZ1 LYS 640 -9.693 -15.768 4.311 785 HZ2 LYS 640 HZ2 LYS 640 -10.733 -14.574 3.712 786 HZ3 LYS 640 HZ3 LYS 640 -9.279 -14.135 4.366 787 H GLN 641 HN GLN 641 -4.657 -17.409 5.909 788 HA GLN 641 HA GLN 641 -5.952 -15.437 7.593 789 HB2 GLN 641 HB2 GLN 641 -6.012 -17.238 9.328 790 HB3 GLN 641 HB1 GLN 641 -6.882 -17.640 7.859 791 HG2 GLN 641 HG2 GLN 641 -5.010 -19.024 7.130 792 HG3 GLN 641 HG1 GLN 641 -4.131 -18.620 8.602 793 HE21 GLN 641 HE21 GLN 641 -4.942 -21.188 7.593 794 HE22 GLN 641 HE22 GLN 641 -5.943 -21.900 8.794 795 H ARG 642 HN ARG 642 -4.487 -13.903 7.946 796 HA ARG 642 HA ARG 642 -1.827 -14.531 8.856 797 HB2 ARG 642 HB2 ARG 642 -2.087 -12.445 7.634 798 HB3 ARG 642 HB1 ARG 642 -3.336 -11.895 8.742 799 HG2 ARG 642 HG2 ARG 642 -1.714 -11.713 10.539 800 HG3 ARG 642 HG1 ARG 642 -0.452 -12.351 9.491 801 HD2 ARG 642 HD2 ARG 642 -0.528 -10.396 8.111 802 HD3 ARG 642 HD1 ARG 642 -1.972 -9.806 8.939 803 HE ARG 642 HE ARG 642 -0.296 -9.950 10.970 804 HH11 ARG 642 HH11 ARG 642 0.488 -8.711 7.752 805 HH12 ARG 642 HH12 ARG 642 1.480 -7.451 8.360 806 HH21 ARG 642 HH21 ARG 642 1.103 -8.323 11.739 807 HH22 ARG 642 HH22 ARG 642 1.883 -7.261 10.668 808 H LYS 643 HN LYS 643 -4.900 -13.854 10.256 809 HA LYS 643 HA LYS 643 -3.840 -14.457 12.883 810 HB2 LYS 643 HB2 LYS 643 -5.058 -12.578 13.891 811 HB3 LYS 643 HB1 LYS 643 -3.797 -12.011 12.802 812 HG2 LYS 643 HG2 LYS 643 -5.394 -11.453 11.110 813 HG3 LYS 643 HG1 LYS 643 -6.687 -12.261 11.988 814 HD2 LYS 643 HD2 LYS 643 -5.195 -9.835 12.988 815 HD3 LYS 643 HD1 LYS 643 -6.748 -9.775 12.155 816 HE2 LYS 643 HE2 LYS 643 -6.196 -11.164 14.794 817 HE3 LYS 643 HE1 LYS 643 -7.024 -9.633 14.573 818 HZ1 LYS 643 HZ1 LYS 643 -8.782 -10.798 13.355 819 HZ2 LYS 643 HZ2 LYS 643 -8.597 -11.400 14.907 820 HZ3 LYS 643 HZ3 LYS 643 -8.046 -12.297 13.627 821 HA PRO 644 HA PRO 644 -7.972 -16.293 13.020 822 HB2 PRO 644 HB2 PRO 644 -7.847 -16.089 15.958 823 HB3 PRO 644 HB1 PRO 644 -7.896 -17.545 14.962 824 HG2 PRO 644 HG2 PRO 644 -5.670 -16.855 16.298 825 HG3 PRO 644 HG1 PRO 644 -5.595 -17.598 14.691 826 HD2 PRO 644 HD2 PRO 644 -5.373 -14.697 15.431 827 HD3 PRO 644 HD1 PRO 644 -4.345 -15.670 14.349 Start of MODEL 14 1 H1 LYS 290 HT1 LYS 290 -4.529 15.056 -3.547 2 H2 LYS 290 HT2 LYS 290 -4.233 15.104 -5.222 3 H3 LYS 290 HT3 LYS 290 -3.081 14.485 -4.190 4 HA LYS 290 HA LYS 290 -4.348 12.641 -3.642 5 HB2 LYS 290 HB2 LYS 290 -6.446 13.792 -5.506 6 HB3 LYS 290 HB1 LYS 290 -6.463 12.154 -4.882 7 HG2 LYS 290 HG2 LYS 290 -6.557 13.142 -2.578 8 HG3 LYS 290 HG1 LYS 290 -6.764 14.713 -3.351 9 HD2 LYS 290 HD2 LYS 290 -8.795 13.936 -4.442 10 HD3 LYS 290 HD1 LYS 290 -8.573 12.337 -3.736 11 HE2 LYS 290 HE2 LYS 290 -8.996 14.890 -2.185 12 HE3 LYS 290 HE1 LYS 290 -10.220 13.662 -2.492 13 HZ1 LYS 290 HZ1 LYS 290 -7.708 13.192 -0.954 14 HZ2 LYS 290 HZ2 LYS 290 -8.941 12.077 -1.219 15 HZ3 LYS 290 HZ3 LYS 290 -9.235 13.439 -0.288 16 H VAL 291 HN VAL 291 -4.780 10.813 -5.197 17 HA VAL 291 HA VAL 291 -2.566 10.756 -6.961 18 HB VAL 291 HB VAL 291 -3.284 8.433 -7.458 19 HG11 VAL 291 HG11 VAL 291 -1.812 8.883 -5.601 20 HG12 VAL 291 HG12 VAL 291 -2.912 7.567 -5.189 21 HG13 VAL 291 HG13 VAL 291 -3.191 9.195 -4.557 22 HG21 VAL 291 HG21 VAL 291 -5.138 7.439 -6.183 23 HG22 VAL 291 HG22 VAL 291 -5.713 8.714 -7.261 24 HG23 VAL 291 HG23 VAL 291 -5.544 9.030 -5.536 25 H ALA 292 HN ALA 292 -2.460 10.708 -9.100 26 HA ALA 292 HA ALA 292 -4.915 11.067 -10.604 27 HB1 ALA 292 HB1 ALA 292 -2.054 11.498 -11.587 28 HB2 ALA 292 HB2 ALA 292 -3.136 12.748 -11.012 29 HB3 ALA 292 HB3 ALA 292 -3.536 11.848 -12.471 30 HA PRO 293 HA PRO 293 -3.279 6.948 -12.254 31 HB2 PRO 293 HB2 PRO 293 -0.785 6.111 -11.137 32 HB3 PRO 293 HB1 PRO 293 -1.058 6.643 -12.793 33 HG2 PRO 293 HG2 PRO 293 0.494 7.983 -10.924 34 HG3 PRO 293 HG1 PRO 293 -0.188 8.707 -12.385 35 HD2 PRO 293 HD2 PRO 293 -1.185 8.793 -9.580 36 HD3 PRO 293 HD1 PRO 293 -1.164 10.075 -10.804 37 H LEU 294 HN LEU 294 -3.128 4.698 -11.220 38 HA LEU 294 HA LEU 294 -3.883 3.252 -9.664 39 HB2 LEU 294 HB2 LEU 294 -2.491 5.059 -7.671 40 HB3 LEU 294 HB1 LEU 294 -2.897 3.367 -7.439 41 HG LEU 294 HG LEU 294 -0.876 4.443 -9.406 42 HD11 LEU 294 HD11 LEU 294 -0.103 4.602 -7.121 43 HD12 LEU 294 HD12 LEU 294 0.766 3.341 -7.993 44 HD13 LEU 294 HD13 LEU 294 -0.498 2.905 -6.855 45 HD21 LEU 294 HD21 LEU 294 -1.583 1.588 -8.741 46 HD22 LEU 294 HD22 LEU 294 -0.306 2.129 -9.840 47 HD23 LEU 294 HD23 LEU 294 -1.994 2.432 -10.233 48 H LYS 295 HN LYS 295 -5.886 4.108 -10.277 49 HA LYS 295 HA LYS 295 -7.217 6.181 -8.737 50 HB2 LYS 295 HB2 LYS 295 -8.271 4.430 -10.952 51 HB3 LYS 295 HB1 LYS 295 -8.937 5.961 -10.399 52 HG2 LYS 295 HG2 LYS 295 -7.015 7.154 -11.253 53 HG3 LYS 295 HG1 LYS 295 -6.238 5.635 -11.703 54 HD2 LYS 295 HD2 LYS 295 -8.171 5.171 -13.212 55 HD3 LYS 295 HD1 LYS 295 -8.785 6.779 -12.842 56 HE2 LYS 295 HE2 LYS 295 -6.107 6.175 -14.100 57 HE3 LYS 295 HE1 LYS 295 -7.549 6.688 -14.968 58 HZ1 LYS 295 HZ1 LYS 295 -7.488 8.760 -13.659 59 HZ2 LYS 295 HZ2 LYS 295 -6.139 8.541 -14.623 60 HZ3 LYS 295 HZ3 LYS 295 -6.018 8.295 -12.969 61 H ILE 296 HN ILE 296 -6.623 4.006 -7.141 62 HA ILE 296 HA ILE 296 -8.893 2.247 -7.121 63 HB ILE 296 HB ILE 296 -6.793 1.168 -6.731 64 HG12 ILE 296 HG12 ILE 296 -7.174 0.027 -4.539 65 HG13 ILE 296 HG11 ILE 296 -8.403 1.231 -4.170 66 HG21 ILE 296 HG21 ILE 296 -5.383 1.577 -4.779 67 HG22 ILE 296 HG22 ILE 296 -6.378 2.977 -4.375 68 HG23 ILE 296 HG23 ILE 296 -5.459 2.953 -5.882 69 HD11 ILE 296 HD11 ILE 296 -8.482 -0.717 -6.464 70 HD12 ILE 296 HD12 ILE 296 -9.724 0.477 -6.073 71 HD13 ILE 296 HD13 ILE 296 -9.387 -0.845 -4.956 72 H LYS 297 HN LYS 297 -10.605 3.391 -6.602 73 HA LYS 297 HA LYS 297 -10.734 4.428 -3.862 74 HB2 LYS 297 HB2 LYS 297 -11.655 5.634 -6.180 75 HB3 LYS 297 HB1 LYS 297 -13.065 4.719 -5.652 76 HG2 LYS 297 HG2 LYS 297 -13.124 5.865 -3.551 77 HG3 LYS 297 HG1 LYS 297 -11.636 6.733 -3.937 78 HD2 LYS 297 HD2 LYS 297 -12.804 7.689 -5.936 79 HD3 LYS 297 HD1 LYS 297 -14.293 6.950 -5.357 80 HE2 LYS 297 HE2 LYS 297 -12.650 9.027 -3.906 81 HE3 LYS 297 HE1 LYS 297 -14.165 9.317 -4.749 82 HZ1 LYS 297 HZ1 LYS 297 -15.207 7.721 -3.162 83 HZ2 LYS 297 HZ2 LYS 297 -14.636 9.154 -2.487 84 HZ3 LYS 297 HZ3 LYS 297 -13.763 7.737 -2.264 85 H LEU 298 HN LEU 298 -10.892 2.552 -2.853 86 HA LEU 298 HA LEU 298 -12.437 0.315 -3.807 87 HB2 LEU 298 HB2 LEU 298 -10.217 0.335 -2.481 88 HB3 LEU 298 HB1 LEU 298 -11.218 0.759 -1.122 89 HG LEU 298 HG LEU 298 -10.645 -1.478 -0.900 90 HD11 LEU 298 HD11 LEU 298 -12.863 -1.094 -0.179 91 HD12 LEU 298 HD12 LEU 298 -12.738 -2.710 -0.879 92 HD13 LEU 298 HD13 LEU 298 -13.494 -1.408 -1.797 93 HD21 LEU 298 HD21 LEU 298 -9.948 -2.039 -3.102 94 HD22 LEU 298 HD22 LEU 298 -11.597 -1.911 -3.717 95 HD23 LEU 298 HD23 LEU 298 -11.167 -3.211 -2.603 96 H GLY 299 HN GLY 299 -14.576 0.509 -3.648 97 HA2 GLY 299 HA2 GLY 299 -15.840 0.670 -1.121 98 HA3 GLY 299 HA1 GLY 299 -16.064 2.156 -2.040 99 H GLY 300 HN GLY 300 -15.969 -1.277 -2.921 100 HA2 GLY 300 HA2 GLY 300 -18.694 -1.065 -3.901 101 HA3 GLY 300 HA1 GLY 300 -17.443 -1.453 -5.080 102 H PHE 301 HN PHE 301 -19.198 -3.321 -4.994 103 HA PHE 301 HA PHE 301 -19.703 -5.463 -4.578 104 HB2 PHE 301 HB2 PHE 301 -16.831 -5.632 -3.608 105 HB3 PHE 301 HB1 PHE 301 -17.876 -7.028 -3.817 106 HD1 PHE 301 HD1 PHE 301 -18.494 -7.792 -6.048 107 HD2 PHE 301 HD2 PHE 301 -15.878 -4.494 -5.493 108 HE1 PHE 301 HE1 PHE 301 -17.786 -7.967 -8.398 109 HE2 PHE 301 HE2 PHE 301 -15.163 -4.655 -7.839 110 HZ PHE 301 HZ PHE 301 -16.117 -6.395 -9.298 111 H ALA 557 HN ALA 557 19.670 -2.758 28.205 112 HA ALA 557 HA ALA 557 21.562 -0.882 27.247 113 HB1 ALA 557 HB1 ALA 557 22.185 -2.854 25.906 114 HB2 ALA 557 HB2 ALA 557 21.435 -1.607 24.912 115 HB3 ALA 557 HB3 ALA 557 20.505 -3.024 25.398 116 H SER 558 HN SER 558 20.338 0.257 25.286 117 HA SER 558 HA SER 558 17.828 1.084 26.310 118 HB2 SER 558 HB2 SER 558 19.082 1.659 23.623 119 HB3 SER 558 HB1 SER 558 17.869 2.633 24.455 120 HG SER 558 HG SER 558 20.547 2.631 24.692 121 H ALA 559 HN ALA 559 16.035 -0.130 26.031 122 HA ALA 559 HA ALA 559 15.888 -2.041 23.909 123 HB1 ALA 559 HB1 ALA 559 14.920 -2.558 26.109 124 HB2 ALA 559 HB2 ALA 559 13.698 -2.630 24.838 125 HB3 ALA 559 HB3 ALA 559 13.775 -1.233 25.911 126 H SER 560 HN SER 560 16.120 -0.643 22.191 127 HA SER 560 HA SER 560 14.208 1.369 21.641 128 HB2 SER 560 HB2 SER 560 16.180 0.080 19.745 129 HB3 SER 560 HB1 SER 560 15.425 1.669 19.590 130 HG SER 560 HG SER 560 16.616 2.421 21.287 131 H TYR 561 HN TYR 561 12.161 0.702 21.272 132 HA TYR 561 HA TYR 561 11.700 -1.721 19.754 133 HB2 TYR 561 HB2 TYR 561 9.330 -1.466 20.284 134 HB3 TYR 561 HB1 TYR 561 10.284 -1.289 21.740 135 HD1 TYR 561 HD1 TYR 561 10.686 1.130 22.597 136 HD2 TYR 561 HD2 TYR 561 7.763 0.151 19.662 137 HE1 TYR 561 HE1 TYR 561 9.480 3.212 23.103 138 HE2 TYR 561 HE2 TYR 561 6.565 2.230 20.156 139 HH TYR 561 HH TYR 561 6.337 3.746 22.052 140 H ASP 562 HN ASP 562 11.949 1.532 19.281 141 HA ASP 562 HA ASP 562 10.892 1.280 16.558 142 HB2 ASP 562 HB2 ASP 562 9.631 2.986 17.728 143 HB3 ASP 562 HB1 ASP 562 11.122 3.761 18.268 144 H SER 563 HN SER 563 12.294 1.647 14.934 145 HA SER 563 HA SER 563 14.849 2.859 15.480 146 HB2 SER 563 HB2 SER 563 14.545 0.045 14.390 147 HB3 SER 563 HB1 SER 563 16.065 0.936 14.539 148 HG SER 563 HG SER 563 15.145 1.140 16.851 149 H GLU 564 HN GLU 564 16.034 3.121 13.428 150 HA GLU 564 HA GLU 564 14.083 3.851 11.411 151 HB2 GLU 564 HB2 GLU 564 15.680 5.569 10.712 152 HB3 GLU 564 HB1 GLU 564 15.200 5.734 12.389 153 HG2 GLU 564 HG2 GLU 564 17.821 4.502 11.524 154 HG3 GLU 564 HG1 GLU 564 17.633 6.204 11.929 155 H GLU 565 HN GLU 565 15.402 4.181 9.223 156 HA GLU 565 HA GLU 565 16.280 3.223 7.401 157 HB2 GLU 565 HB2 GLU 565 18.329 2.964 8.873 158 HB3 GLU 565 HB1 GLU 565 17.758 1.355 9.273 159 HG2 GLU 565 HG2 GLU 565 18.037 0.647 6.987 160 HG3 GLU 565 HG1 GLU 565 18.477 2.285 6.505 161 H GLU 566 HN GLU 566 13.926 2.355 8.824 162 HA GLU 566 HA GLU 566 13.514 -0.418 8.267 163 HB2 GLU 566 HB2 GLU 566 11.623 1.850 8.903 164 HB3 GLU 566 HB1 GLU 566 11.111 0.188 8.689 165 HG2 GLU 566 HG2 GLU 566 13.011 1.175 10.799 166 HG3 GLU 566 HG1 GLU 566 11.306 0.786 11.037 167 H GLU 567 HN GLU 567 11.782 -1.070 6.733 168 HA GLU 567 HA GLU 567 12.121 0.044 4.161 169 HB2 GLU 567 HB2 GLU 567 9.894 -1.732 5.180 170 HB3 GLU 567 HB1 GLU 567 10.242 -1.395 3.490 171 HG2 GLU 567 HG2 GLU 567 12.418 -2.473 3.746 172 HG3 GLU 567 HG1 GLU 567 12.008 -2.872 5.414 173 H GLU 568 HN GLU 568 10.251 0.868 6.802 174 HA GLU 568 HA GLU 568 8.126 2.362 5.608 175 HB2 GLU 568 HB2 GLU 568 9.349 2.352 8.333 176 HB3 GLU 568 HB1 GLU 568 7.951 3.310 7.908 177 HG2 GLU 568 HG2 GLU 568 6.711 1.258 7.436 178 HG3 GLU 568 HG1 GLU 568 8.139 0.297 7.844 179 H GLY 569 HN GLY 569 11.206 2.923 5.286 180 HA2 GLY 569 HA2 GLY 569 10.868 5.840 5.346 181 HA3 GLY 569 HA1 GLY 569 12.351 5.099 5.940 182 H LEU 570 HN LEU 570 10.947 3.397 3.391 183 HA LEU 570 HA LEU 570 13.034 4.394 1.622 184 HB2 LEU 570 HB2 LEU 570 11.444 1.833 1.538 185 HB3 LEU 570 HB1 LEU 570 12.669 2.292 0.376 186 HG LEU 570 HG LEU 570 13.148 1.735 3.303 187 HD11 LEU 570 HD11 LEU 570 14.298 -0.254 2.505 188 HD12 LEU 570 HD12 LEU 570 13.846 0.139 0.849 189 HD13 LEU 570 HD13 LEU 570 12.602 -0.277 2.029 190 HD21 LEU 570 HD21 LEU 570 14.715 3.392 2.450 191 HD22 LEU 570 HD22 LEU 570 15.075 2.359 1.066 192 HD23 LEU 570 HD23 LEU 570 15.527 1.844 2.690 193 HA PRO 571 HA PRO 571 9.761 6.280 -0.712 194 HB2 PRO 571 HB2 PRO 571 11.253 6.854 -2.928 195 HB3 PRO 571 HB1 PRO 571 11.204 7.875 -1.488 196 HG2 PRO 571 HG2 PRO 571 13.282 5.918 -2.350 197 HG3 PRO 571 HG1 PRO 571 13.479 7.457 -1.497 198 HD2 PRO 571 HD2 PRO 571 13.615 5.023 -0.284 199 HD3 PRO 571 HD1 PRO 571 13.098 6.501 0.552 200 H MET 572 HN MET 572 8.354 5.253 -1.771 201 HA MET 572 HA MET 572 8.876 2.687 -3.012 202 HB2 MET 572 HB2 MET 572 6.337 4.271 -2.578 203 HB3 MET 572 HB1 MET 572 6.391 2.653 -3.253 204 HG2 MET 572 HG2 MET 572 7.493 3.306 -0.537 205 HG3 MET 572 HG1 MET 572 5.807 2.865 -0.793 206 HE1 MET 572 HE1 MET 572 5.985 -0.791 -2.021 207 HE2 MET 572 HE2 MET 572 5.801 0.693 -2.963 208 HE3 MET 572 HE3 MET 572 4.971 0.522 -1.426 209 H SER 573 HN SER 573 8.903 2.332 -5.187 210 HA SER 573 HA SER 573 8.869 4.724 -6.828 211 HB2 SER 573 HB2 SER 573 9.680 3.113 -8.621 212 HB3 SER 573 HB1 SER 573 10.737 3.269 -7.219 213 HG SER 573 HG SER 573 9.856 1.373 -6.401 214 H TYR 574 HN TYR 574 7.753 4.536 -9.000 215 HA TYR 574 HA TYR 574 5.008 4.260 -8.460 216 HB2 TYR 574 HB2 TYR 574 6.342 4.478 -11.172 217 HB3 TYR 574 HB1 TYR 574 4.634 4.748 -10.840 218 HD1 TYR 574 HD1 TYR 574 4.500 6.424 -8.555 219 HD2 TYR 574 HD2 TYR 574 7.400 6.472 -11.667 220 HE1 TYR 574 HE1 TYR 574 4.981 8.777 -8.061 221 HE2 TYR 574 HE2 TYR 574 7.895 8.829 -11.174 222 HH TYR 574 HH TYR 574 6.602 10.758 -10.125 223 H ASP 575 HN ASP 575 7.339 2.141 -9.853 224 HA ASP 575 HA ASP 575 5.641 0.144 -10.888 225 HB2 ASP 575 HB2 ASP 575 8.053 0.105 -11.301 226 HB3 ASP 575 HB1 ASP 575 8.352 -0.178 -9.589 227 H GLU 576 HN GLU 576 7.165 0.476 -7.739 228 HA GLU 576 HA GLU 576 6.083 -1.740 -6.521 229 HB2 GLU 576 HB2 GLU 576 6.950 0.854 -5.315 230 HB3 GLU 576 HB1 GLU 576 6.673 -0.650 -4.433 231 HG2 GLU 576 HG2 GLU 576 8.365 -1.736 -5.789 232 HG3 GLU 576 HG1 GLU 576 8.646 -0.226 -6.621 233 H LYS 577 HN LYS 577 5.000 1.607 -6.540 234 HA LYS 577 HA LYS 577 2.750 1.305 -4.899 235 HB2 LYS 577 HB2 LYS 577 3.088 3.179 -7.229 236 HB3 LYS 577 HB1 LYS 577 1.904 3.361 -5.945 237 HG2 LYS 577 HG2 LYS 577 3.783 3.594 -4.331 238 HG3 LYS 577 HG1 LYS 577 4.900 3.568 -5.698 239 HD2 LYS 577 HD2 LYS 577 3.719 5.524 -6.642 240 HD3 LYS 577 HD1 LYS 577 2.708 5.585 -5.206 241 HE2 LYS 577 HE2 LYS 577 4.881 5.756 -3.889 242 HE3 LYS 577 HE1 LYS 577 5.662 6.072 -5.437 243 HZ1 LYS 577 HZ1 LYS 577 3.944 7.916 -5.710 244 HZ2 LYS 577 HZ2 LYS 577 5.096 8.170 -4.494 245 HZ3 LYS 577 HZ3 LYS 577 3.553 7.625 -4.106 246 H ARG 578 HN ARG 578 3.050 1.071 -8.419 247 HA ARG 578 HA ARG 578 0.407 0.445 -9.027 248 HB2 ARG 578 HB2 ARG 578 1.898 1.060 -10.794 249 HB3 ARG 578 HB1 ARG 578 3.003 -0.244 -10.409 250 HG2 ARG 578 HG2 ARG 578 1.774 -0.714 -12.450 251 HG3 ARG 578 HG1 ARG 578 1.360 -1.872 -11.190 252 HD2 ARG 578 HD2 ARG 578 -0.684 -0.527 -10.718 253 HD3 ARG 578 HD1 ARG 578 -0.283 0.480 -12.114 254 HE ARG 578 HE ARG 578 -0.246 -1.848 -13.258 255 HH11 ARG 578 HH11 ARG 578 -2.658 -0.597 -10.995 256 HH12 ARG 578 HH12 ARG 578 -3.889 -1.660 -11.481 257 HH21 ARG 578 HH21 ARG 578 -1.931 -3.265 -13.964 258 HH22 ARG 578 HH22 ARG 578 -3.468 -3.200 -13.232 259 H GLN 579 HN GLN 579 3.093 -1.734 -8.282 260 HA GLN 579 HA GLN 579 1.548 -4.110 -8.584 261 HB2 GLN 579 HB2 GLN 579 4.242 -3.479 -8.296 262 HB3 GLN 579 HB1 GLN 579 3.859 -4.279 -6.788 263 HG2 GLN 579 HG2 GLN 579 3.180 -5.532 -9.431 264 HG3 GLN 579 HG1 GLN 579 4.793 -5.675 -8.754 265 HE21 GLN 579 HE21 GLN 579 1.740 -5.819 -6.917 266 HE22 GLN 579 HE22 GLN 579 1.958 -7.404 -6.372 267 H LEU 580 HN LEU 580 2.314 -2.010 -5.898 268 HA LEU 580 HA LEU 580 1.352 -3.527 -3.772 269 HB2 LEU 580 HB2 LEU 580 2.487 -1.094 -4.095 270 HB3 LEU 580 HB1 LEU 580 0.836 -0.612 -3.794 271 HG LEU 580 HG LEU 580 2.620 -2.184 -1.956 272 HD11 LEU 580 HD11 LEU 580 2.541 -0.205 -0.561 273 HD12 LEU 580 HD12 LEU 580 1.494 0.593 -1.728 274 HD13 LEU 580 HD13 LEU 580 3.143 0.186 -2.178 275 HD21 LEU 580 HD21 LEU 580 0.267 -2.889 -1.766 276 HD22 LEU 580 HD22 LEU 580 -0.191 -1.210 -1.458 277 HD23 LEU 580 HD23 LEU 580 0.858 -2.072 -0.327 278 H SER 581 HN SER 581 -0.273 -1.376 -6.061 279 HA SER 581 HA SER 581 -2.825 -1.270 -4.875 280 HB2 SER 581 HB2 SER 581 -2.119 -1.124 -7.818 281 HB3 SER 581 HB1 SER 581 -3.585 -0.498 -7.060 282 HG SER 581 HG SER 581 -0.969 0.414 -6.360 283 H LEU 582 HN LEU 582 -1.255 -3.519 -7.030 284 HA LEU 582 HA LEU 582 -3.490 -5.040 -7.830 285 HB2 LEU 582 HB2 LEU 582 -0.587 -5.781 -7.606 286 HB3 LEU 582 HB1 LEU 582 -1.753 -6.714 -8.494 287 HG LEU 582 HG LEU 582 -0.808 -3.920 -9.129 288 HD11 LEU 582 HD11 LEU 582 -0.396 -6.531 -10.588 289 HD12 LEU 582 HD12 LEU 582 0.816 -5.706 -9.618 290 HD13 LEU 582 HD13 LEU 582 0.207 -4.954 -11.094 291 HD21 LEU 582 HD21 LEU 582 -3.156 -4.194 -9.750 292 HD22 LEU 582 HD22 LEU 582 -2.754 -5.668 -10.633 293 HD23 LEU 582 HD23 LEU 582 -2.126 -4.117 -11.178 294 H ASP 583 HN ASP 583 -0.947 -5.722 -5.438 295 HA ASP 583 HA ASP 583 -2.263 -8.077 -4.505 296 HB2 ASP 583 HB2 ASP 583 0.063 -6.558 -3.371 297 HB3 ASP 583 HB1 ASP 583 -0.594 -8.008 -2.612 298 H ILE 584 HN ILE 584 -2.660 -4.812 -3.466 299 HA ILE 584 HA ILE 584 -4.122 -5.554 -1.120 300 HB ILE 584 HB ILE 584 -4.348 -3.031 -2.806 301 HG12 ILE 584 HG12 ILE 584 -2.950 -3.514 -0.173 302 HG13 ILE 584 HG11 ILE 584 -2.152 -3.292 -1.733 303 HG21 ILE 584 HG21 ILE 584 -6.410 -3.373 -1.563 304 HG22 ILE 584 HG22 ILE 584 -5.506 -2.021 -0.882 305 HG23 ILE 584 HG23 ILE 584 -5.499 -3.584 -0.067 306 HD11 ILE 584 HD11 ILE 584 -2.080 -1.280 -0.374 307 HD12 ILE 584 HD12 ILE 584 -3.850 -1.306 -0.286 308 HD13 ILE 584 HD13 ILE 584 -3.051 -1.026 -1.834 309 H ASN 585 HN ASN 585 -5.025 -4.865 -4.466 310 HA ASN 585 HA ASN 585 -7.832 -5.151 -4.042 311 HB2 ASN 585 HB2 ASN 585 -6.696 -3.832 -5.900 312 HB3 ASN 585 HB1 ASN 585 -6.347 -5.369 -6.674 313 HD21 ASN 585 HD21 ASN 585 -8.025 -6.471 -7.711 314 HD22 ASN 585 HD22 ASN 585 -9.559 -5.755 -7.974 315 H ARG 586 HN ARG 586 -5.245 -7.290 -4.616 316 HA ARG 586 HA ARG 586 -6.753 -9.572 -5.456 317 HB2 ARG 586 HB2 ARG 586 -3.983 -9.257 -4.345 318 HB3 ARG 586 HB1 ARG 586 -4.627 -10.823 -4.800 319 HG2 ARG 586 HG2 ARG 586 -4.877 -10.075 -7.102 320 HG3 ARG 586 HG1 ARG 586 -4.383 -8.447 -6.654 321 HD2 ARG 586 HD2 ARG 586 -2.164 -9.355 -5.992 322 HD3 ARG 586 HD1 ARG 586 -2.696 -10.937 -6.550 323 HE ARG 586 HE ARG 586 -3.138 -9.511 -8.695 324 HH11 ARG 586 HH11 ARG 586 -0.253 -9.395 -6.591 325 HH12 ARG 586 HH12 ARG 586 0.824 -9.123 -7.879 326 HH21 ARG 586 HH21 ARG 586 -1.623 -9.123 -10.440 327 HH22 ARG 586 HH22 ARG 586 0.047 -9.005 -10.096 328 H LEU 587 HN LEU 587 -6.338 -8.036 -2.457 329 HA LEU 587 HA LEU 587 -6.959 -10.430 -0.951 330 HB2 LEU 587 HB2 LEU 587 -6.732 -7.566 -0.018 331 HB3 LEU 587 HB1 LEU 587 -6.927 -8.961 1.011 332 HG LEU 587 HG LEU 587 -4.510 -8.145 -0.572 333 HD11 LEU 587 HD11 LEU 587 -4.784 -7.018 1.534 334 HD12 LEU 587 HD12 LEU 587 -3.453 -8.183 1.644 335 HD13 LEU 587 HD13 LEU 587 -5.010 -8.558 2.361 336 HD21 LEU 587 HD21 LEU 587 -4.981 -10.735 0.902 337 HD22 LEU 587 HD22 LEU 587 -3.422 -10.147 0.328 338 HD23 LEU 587 HD23 LEU 587 -4.699 -10.522 -0.835 339 HA PRO 588 HA PRO 588 -11.272 -9.343 -1.074 340 HB2 PRO 588 HB2 PRO 588 -12.177 -10.927 0.899 341 HB3 PRO 588 HB1 PRO 588 -11.681 -11.585 -0.664 342 HG2 PRO 588 HG2 PRO 588 -10.244 -11.532 1.928 343 HG3 PRO 588 HG1 PRO 588 -10.302 -12.818 0.713 344 HD2 PRO 588 HD2 PRO 588 -8.189 -11.046 0.971 345 HD3 PRO 588 HD1 PRO 588 -8.611 -11.894 -0.529 346 H GLY 589 HN GLY 589 -12.891 -8.410 0.339 347 HA2 GLY 589 HA2 GLY 589 -11.989 -6.133 1.533 348 HA3 GLY 589 HA1 GLY 589 -13.605 -6.785 1.724 349 H GLU 590 HN GLU 590 -12.655 -9.171 3.192 350 HA GLU 590 HA GLU 590 -12.725 -8.147 5.794 351 HB2 GLU 590 HB2 GLU 590 -13.364 -10.439 5.375 352 HB3 GLU 590 HB1 GLU 590 -11.740 -10.835 4.829 353 HG2 GLU 590 HG2 GLU 590 -10.869 -10.433 7.051 354 HG3 GLU 590 HG1 GLU 590 -12.465 -9.965 7.620 355 H LYS 591 HN LYS 591 -10.009 -9.096 3.785 356 HA LYS 591 HA LYS 591 -8.165 -8.512 5.951 357 HB2 LYS 591 HB2 LYS 591 -7.638 -9.420 3.104 358 HB3 LYS 591 HB1 LYS 591 -6.367 -9.082 4.267 359 HG2 LYS 591 HG2 LYS 591 -6.608 -11.433 4.245 360 HG3 LYS 591 HG1 LYS 591 -7.397 -10.894 5.720 361 HD2 LYS 591 HD2 LYS 591 -9.582 -11.102 4.625 362 HD3 LYS 591 HD1 LYS 591 -8.762 -11.566 3.132 363 HE2 LYS 591 HE2 LYS 591 -9.596 -13.559 4.184 364 HE3 LYS 591 HE1 LYS 591 -7.842 -13.544 4.291 365 HZ1 LYS 591 HZ1 LYS 591 -8.746 -14.259 6.346 366 HZ2 LYS 591 HZ2 LYS 591 -9.785 -12.963 6.464 367 HZ3 LYS 591 HZ3 LYS 591 -8.109 -12.722 6.631 368 H LEU 592 HN LEU 592 -9.387 -7.146 3.028 369 HA LEU 592 HA LEU 592 -7.694 -5.028 2.543 370 HB2 LEU 592 HB2 LEU 592 -10.141 -6.036 1.753 371 HB3 LEU 592 HB1 LEU 592 -10.463 -4.363 2.208 372 HG LEU 592 HG LEU 592 -8.396 -5.254 0.230 373 HD11 LEU 592 HD11 LEU 592 -9.978 -4.540 -1.476 374 HD12 LEU 592 HD12 LEU 592 -11.177 -4.203 -0.219 375 HD13 LEU 592 HD13 LEU 592 -10.625 -5.857 -0.491 376 HD21 LEU 592 HD21 LEU 592 -7.947 -3.081 1.241 377 HD22 LEU 592 HD22 LEU 592 -9.581 -2.550 0.854 378 HD23 LEU 592 HD23 LEU 592 -8.431 -2.889 -0.444 379 H GLY 593 HN GLY 593 -10.410 -5.370 4.763 380 HA2 GLY 593 HA2 GLY 593 -10.794 -2.801 5.677 381 HA3 GLY 593 HA1 GLY 593 -11.045 -4.236 6.656 382 H ARG 594 HN ARG 594 -8.230 -5.032 6.611 383 HA ARG 594 HA ARG 594 -7.405 -3.396 8.778 384 HB2 ARG 594 HB2 ARG 594 -6.836 -5.717 8.932 385 HB3 ARG 594 HB1 ARG 594 -6.017 -5.702 7.383 386 HG2 ARG 594 HG2 ARG 594 -4.455 -5.763 9.258 387 HG3 ARG 594 HG1 ARG 594 -4.266 -4.294 8.297 388 HD2 ARG 594 HD2 ARG 594 -5.624 -3.075 9.900 389 HD3 ARG 594 HD1 ARG 594 -5.818 -4.560 10.831 390 HE ARG 594 HE ARG 594 -3.103 -4.120 10.548 391 HH11 ARG 594 HH11 ARG 594 -5.801 -2.512 12.230 392 HH12 ARG 594 HH12 ARG 594 -4.770 -1.637 13.278 393 HH21 ARG 594 HH21 ARG 594 -1.754 -2.927 12.002 394 HH22 ARG 594 HH22 ARG 594 -2.431 -1.831 13.115 395 H VAL 595 HN VAL 595 -6.493 -3.753 5.411 396 HA VAL 595 HA VAL 595 -4.208 -2.077 5.478 397 HB VAL 595 HB VAL 595 -6.022 -2.221 3.100 398 HG11 VAL 595 HG11 VAL 595 -3.977 -2.151 1.804 399 HG12 VAL 595 HG12 VAL 595 -3.061 -2.027 3.307 400 HG13 VAL 595 HG13 VAL 595 -4.198 -0.750 2.855 401 HG21 VAL 595 HG21 VAL 595 -4.088 -4.378 3.901 402 HG22 VAL 595 HG22 VAL 595 -4.910 -4.284 2.342 403 HG23 VAL 595 HG23 VAL 595 -5.841 -4.537 3.819 404 H VAL 596 HN VAL 596 -7.627 -1.509 5.066 405 HA VAL 596 HA VAL 596 -7.527 1.228 4.448 406 HB VAL 596 HB VAL 596 -9.723 -0.082 6.084 407 HG11 VAL 596 HG11 VAL 596 -11.171 1.551 4.941 408 HG12 VAL 596 HG12 VAL 596 -9.737 2.224 4.174 409 HG13 VAL 596 HG13 VAL 596 -9.924 2.333 5.933 410 HG21 VAL 596 HG21 VAL 596 -9.474 -0.050 3.072 411 HG22 VAL 596 HG22 VAL 596 -10.876 -0.601 3.986 412 HG23 VAL 596 HG23 VAL 596 -9.346 -1.462 4.116 413 H HIS 597 HN HIS 597 -7.611 -0.417 7.594 414 HA HIS 597 HA HIS 597 -7.620 1.995 9.065 415 HB2 HIS 597 HB2 HIS 597 -6.948 -0.846 9.846 416 HB3 HIS 597 HB1 HIS 597 -6.763 0.482 10.982 417 HD1 HIS 597 HD1 HIS 597 -9.209 -1.992 9.920 418 HD2 HIS 597 HD2 HIS 597 -9.316 1.908 11.368 419 HE1 HIS 597 HE1 HIS 597 -11.516 -1.640 10.846 420 H ILE 598 HN ILE 598 -5.168 0.086 7.593 421 HA ILE 598 HA ILE 598 -2.943 1.090 8.928 422 HB ILE 598 HB ILE 598 -3.178 -0.023 6.110 423 HG12 ILE 598 HG12 ILE 598 -2.141 -1.237 8.681 424 HG13 ILE 598 HG11 ILE 598 -3.685 -1.601 7.930 425 HG21 ILE 598 HG21 ILE 598 -1.269 1.406 6.173 426 HG22 ILE 598 HG22 ILE 598 -0.799 -0.295 6.109 427 HG23 ILE 598 HG23 ILE 598 -0.667 0.600 7.633 428 HD11 ILE 598 HD11 ILE 598 -0.945 -2.232 6.842 429 HD12 ILE 598 HD12 ILE 598 -2.437 -2.510 5.965 430 HD13 ILE 598 HD13 ILE 598 -2.135 -3.372 7.466 431 H ILE 599 HN ILE 599 -4.584 2.293 5.959 432 HA ILE 599 HA ILE 599 -2.893 4.545 5.628 433 HB ILE 599 HB ILE 599 -5.840 4.276 4.870 434 HG12 ILE 599 HG12 ILE 599 -4.951 4.462 2.503 435 HG13 ILE 599 HG11 ILE 599 -3.337 4.323 3.171 436 HG21 ILE 599 HG21 ILE 599 -5.628 6.373 3.584 437 HG22 ILE 599 HG22 ILE 599 -4.033 6.609 4.322 438 HG23 ILE 599 HG23 ILE 599 -5.464 6.590 5.335 439 HD11 ILE 599 HD11 ILE 599 -4.276 2.260 2.203 440 HD12 ILE 599 HD12 ILE 599 -5.455 2.240 3.540 441 HD13 ILE 599 HD13 ILE 599 -3.736 2.129 3.870 442 H GLN 600 HN GLN 600 -5.847 4.078 7.417 443 HA GLN 600 HA GLN 600 -6.263 6.618 8.415 444 HB2 GLN 600 HB2 GLN 600 -6.947 3.983 9.665 445 HB3 GLN 600 HB1 GLN 600 -7.649 5.541 10.099 446 HG2 GLN 600 HG2 GLN 600 -8.259 5.817 7.777 447 HG3 GLN 600 HG1 GLN 600 -7.819 4.142 7.462 448 HE21 GLN 600 HE21 GLN 600 -10.082 6.269 8.778 449 HE22 GLN 600 HE22 GLN 600 -11.283 5.099 9.220 450 H SER 601 HN SER 601 -4.003 4.278 9.418 451 HA SER 601 HA SER 601 -3.523 5.116 12.055 452 HB2 SER 601 HB2 SER 601 -1.591 3.912 10.080 453 HB3 SER 601 HB1 SER 601 -1.381 3.947 11.834 454 HG SER 601 HG SER 601 -3.643 2.755 10.600 455 H ARG 602 HN ARG 602 -2.181 6.192 8.946 456 HA ARG 602 HA ARG 602 -0.608 8.195 10.407 457 HB2 ARG 602 HB2 ARG 602 0.486 6.601 8.763 458 HB3 ARG 602 HB1 ARG 602 -0.381 7.436 7.495 459 HG2 ARG 602 HG2 ARG 602 1.540 8.824 9.353 460 HG3 ARG 602 HG1 ARG 602 2.039 8.064 7.851 461 HD2 ARG 602 HD2 ARG 602 0.710 9.600 6.566 462 HD3 ARG 602 HD1 ARG 602 -0.032 10.254 8.032 463 HE ARG 602 HE ARG 602 2.803 10.423 8.048 464 HH11 ARG 602 HH11 ARG 602 -0.073 12.081 6.713 465 HH12 ARG 602 HH12 ARG 602 0.617 13.623 6.805 466 HH21 ARG 602 HH21 ARG 602 3.765 12.543 8.102 467 HH22 ARG 602 HH22 ARG 602 2.883 13.899 7.611 468 H GLU 603 HN GLU 603 -3.063 7.735 7.994 469 HA GLU 603 HA GLU 603 -3.245 10.592 7.564 470 HB2 GLU 603 HB2 GLU 603 -4.112 8.247 5.949 471 HB3 GLU 603 HB1 GLU 603 -4.849 9.818 5.696 472 HG2 GLU 603 HG2 GLU 603 -1.932 9.133 5.452 473 HG3 GLU 603 HG1 GLU 603 -3.052 9.454 4.125 474 HA PRO 604 HA PRO 604 -6.906 10.160 9.968 475 HB2 PRO 604 HB2 PRO 604 -6.854 12.562 11.102 476 HB3 PRO 604 HB1 PRO 604 -5.648 11.294 11.470 477 HG2 PRO 604 HG2 PRO 604 -5.310 13.684 9.696 478 HG3 PRO 604 HG1 PRO 604 -4.218 13.048 10.940 479 HD2 PRO 604 HD2 PRO 604 -4.091 12.488 8.219 480 HD3 PRO 604 HD1 PRO 604 -3.321 11.536 9.507 481 H SER 605 HN SER 605 -5.991 11.900 7.302 482 HA SER 605 HA SER 605 -8.142 13.587 6.694 483 HB2 SER 605 HB2 SER 605 -6.423 12.086 4.725 484 HB3 SER 605 HB1 SER 605 -7.048 13.734 4.610 485 HG SER 605 HG SER 605 -4.684 13.018 5.460 486 H LEU 606 HN LEU 606 -7.449 10.201 6.407 487 HA LEU 606 HA LEU 606 -9.604 9.595 4.631 488 HB2 LEU 606 HB2 LEU 606 -7.438 8.384 4.673 489 HB3 LEU 606 HB1 LEU 606 -7.795 7.768 6.256 490 HG LEU 606 HG LEU 606 -8.059 6.061 4.492 491 HD11 LEU 606 HD11 LEU 606 -9.490 5.786 6.418 492 HD12 LEU 606 HD12 LEU 606 -10.303 5.223 4.966 493 HD13 LEU 606 HD13 LEU 606 -10.720 6.792 5.674 494 HD21 LEU 606 HD21 LEU 606 -9.800 6.227 2.801 495 HD22 LEU 606 HD22 LEU 606 -8.610 7.522 2.639 496 HD23 LEU 606 HD23 LEU 606 -10.189 7.855 3.354 497 H ARG 607 HN ARG 607 -8.841 8.990 8.041 498 HA ARG 607 HA ARG 607 -11.181 7.860 8.995 499 HB2 ARG 607 HB2 ARG 607 -9.461 9.904 10.372 500 HB3 ARG 607 HB1 ARG 607 -10.591 8.816 11.158 501 HG2 ARG 607 HG2 ARG 607 -9.315 6.930 10.495 502 HG3 ARG 607 HG1 ARG 607 -8.185 7.921 9.583 503 HD2 ARG 607 HD2 ARG 607 -7.222 7.417 11.757 504 HD3 ARG 607 HD1 ARG 607 -7.686 9.125 11.726 505 HE ARG 607 HE ARG 607 -9.723 7.391 12.729 506 HH11 ARG 607 HH11 ARG 607 -6.867 9.272 13.713 507 HH12 ARG 607 HH12 ARG 607 -7.357 9.381 15.336 508 HH21 ARG 607 HH21 ARG 607 -10.349 7.531 14.944 509 HH22 ARG 607 HH22 ARG 607 -9.388 8.350 16.061 510 H ASP 608 HN ASP 608 -10.491 11.188 8.292 511 HA ASP 608 HA ASP 608 -12.696 12.482 9.419 512 HB2 ASP 608 HB2 ASP 608 -10.992 13.862 8.537 513 HB3 ASP 608 HB1 ASP 608 -11.025 13.049 6.980 514 H SER 609 HN SER 609 -12.377 10.688 6.443 515 HA SER 609 HA SER 609 -15.121 11.289 5.752 516 HB2 SER 609 HB2 SER 609 -12.897 10.035 4.139 517 HB3 SER 609 HB1 SER 609 -14.474 10.556 3.522 518 HG SER 609 HG SER 609 -13.250 12.517 4.929 519 H ASN 610 HN ASN 610 -16.089 9.194 4.535 520 HA ASN 610 HA ASN 610 -16.363 7.183 6.543 521 HB2 ASN 610 HB2 ASN 610 -17.391 7.229 3.704 522 HB3 ASN 610 HB1 ASN 610 -17.793 5.996 4.872 523 HD21 ASN 610 HD21 ASN 610 -18.056 7.983 7.092 524 HD22 ASN 610 HD22 ASN 610 -19.546 8.776 6.766 525 HA PRO 611 HA PRO 611 -13.160 4.374 5.167 526 HB2 PRO 611 HB2 PRO 611 -13.952 2.208 6.595 527 HB3 PRO 611 HB1 PRO 611 -13.173 3.595 7.364 528 HG2 PRO 611 HG2 PRO 611 -16.086 2.917 7.197 529 HG3 PRO 611 HG1 PRO 611 -15.150 3.491 8.590 530 HD2 PRO 611 HD2 PRO 611 -16.702 5.145 7.100 531 HD3 PRO 611 HD1 PRO 611 -15.200 5.686 7.876 532 H ASP 612 HN ASP 612 -16.384 4.277 4.532 533 HA ASP 612 HA ASP 612 -16.917 1.811 3.312 534 HB2 ASP 612 HB2 ASP 612 -18.569 3.627 3.860 535 HB3 ASP 612 HB1 ASP 612 -17.973 4.506 2.463 536 H GLU 613 HN GLU 613 -15.632 4.825 2.021 537 HA GLU 613 HA GLU 613 -14.540 3.296 -0.240 538 HB2 GLU 613 HB2 GLU 613 -15.403 6.173 -0.077 539 HB3 GLU 613 HB1 GLU 613 -14.293 5.610 -1.305 540 HG2 GLU 613 HG2 GLU 613 -15.910 4.281 -2.314 541 HG3 GLU 613 HG1 GLU 613 -17.037 4.433 -0.945 542 H ILE 614 HN ILE 614 -12.501 2.925 0.120 543 HA ILE 614 HA ILE 614 -10.908 4.916 1.572 544 HB ILE 614 HB ILE 614 -10.580 2.743 2.505 545 HG12 ILE 614 HG12 ILE 614 -8.284 3.729 0.821 546 HG13 ILE 614 HG11 ILE 614 -8.530 3.893 2.551 547 HG21 ILE 614 HG21 ILE 614 -11.389 1.399 0.712 548 HG22 ILE 614 HG22 ILE 614 -9.767 0.840 1.192 549 HG23 ILE 614 HG23 ILE 614 -9.973 1.869 -0.242 550 HD11 ILE 614 HD11 ILE 614 -7.777 1.395 1.064 551 HD12 ILE 614 HD12 ILE 614 -8.164 1.445 2.756 552 HD13 ILE 614 HD13 ILE 614 -6.736 2.309 2.147 553 H GLU 615 HN GLU 615 -9.586 6.125 0.568 554 HA GLU 615 HA GLU 615 -8.900 5.438 -2.164 555 HB2 GLU 615 HB2 GLU 615 -8.338 7.824 -2.486 556 HB3 GLU 615 HB1 GLU 615 -10.019 7.614 -2.032 557 HG2 GLU 615 HG2 GLU 615 -9.519 8.343 0.232 558 HG3 GLU 615 HG1 GLU 615 -7.806 8.456 -0.164 559 H ILE 616 HN ILE 616 -6.959 4.609 -2.338 560 HA ILE 616 HA ILE 616 -5.130 4.997 -0.114 561 HB ILE 616 HB ILE 616 -4.631 3.230 -2.523 562 HG12 ILE 616 HG12 ILE 616 -5.942 2.414 0.080 563 HG13 ILE 616 HG11 ILE 616 -6.815 2.652 -1.430 564 HG21 ILE 616 HG21 ILE 616 -3.611 3.199 0.320 565 HG22 ILE 616 HG22 ILE 616 -2.716 3.748 -1.095 566 HG23 ILE 616 HG23 ILE 616 -3.169 2.049 -0.940 567 HD11 ILE 616 HD11 ILE 616 -4.663 0.611 -0.936 568 HD12 ILE 616 HD12 ILE 616 -5.562 0.822 -2.439 569 HD13 ILE 616 HD13 ILE 616 -6.396 0.297 -0.978 570 H ASP 617 HN ASP 617 -4.244 6.900 -0.353 571 HA ASP 617 HA ASP 617 -3.572 7.912 -2.969 572 HB2 ASP 617 HB2 ASP 617 -4.512 9.327 -1.094 573 HB3 ASP 617 HB1 ASP 617 -2.942 9.191 -0.315 574 H PHE 618 HN PHE 618 -2.005 6.441 -3.590 575 HA PHE 618 HA PHE 618 0.202 5.709 -2.045 576 HB2 PHE 618 HB2 PHE 618 -0.131 5.589 -5.036 577 HB3 PHE 618 HB1 PHE 618 1.215 4.885 -4.156 578 HD1 PHE 618 HD1 PHE 618 0.892 2.944 -2.710 579 HD2 PHE 618 HD2 PHE 618 -2.284 4.554 -5.029 580 HE1 PHE 618 HE1 PHE 618 -0.384 0.853 -2.419 581 HE2 PHE 618 HE2 PHE 618 -3.553 2.483 -4.739 582 HZ PHE 618 HZ PHE 618 -2.606 0.625 -3.428 583 H GLU 619 HN GLU 619 -0.322 8.653 -3.541 584 HA GLU 619 HA GLU 619 2.472 9.188 -4.159 585 HB2 GLU 619 HB2 GLU 619 0.027 10.923 -4.358 586 HB3 GLU 619 HB1 GLU 619 1.642 11.384 -4.876 587 HG2 GLU 619 HG2 GLU 619 0.090 9.077 -5.928 588 HG3 GLU 619 HG1 GLU 619 0.158 10.704 -6.641 589 H THR 620 HN THR 620 -0.087 10.560 -2.102 590 HA THR 620 HA THR 620 1.862 12.255 -0.903 591 HB THR 620 HB THR 620 -0.971 12.262 0.038 592 HG1 THR 620 HG1 THR 620 -1.245 11.950 -2.205 593 HG21 THR 620 HG21 THR 620 0.787 13.888 0.686 594 HG22 THR 620 HG22 THR 620 -0.583 14.625 -0.196 595 HG23 THR 620 HG23 THR 620 0.928 14.247 -1.043 596 H LEU 621 HN LEU 621 0.475 9.185 -0.259 597 HA LEU 621 HA LEU 621 0.708 9.112 2.559 598 HB2 LEU 621 HB2 LEU 621 0.776 7.054 0.409 599 HB3 LEU 621 HB1 LEU 621 1.253 6.603 2.038 600 HG LEU 621 HG LEU 621 -1.459 7.741 1.316 601 HD11 LEU 621 HD11 LEU 621 -0.610 4.881 1.834 602 HD12 LEU 621 HD12 LEU 621 -1.071 5.539 0.264 603 HD13 LEU 621 HD13 LEU 621 -2.262 5.441 1.561 604 HD21 LEU 621 HD21 LEU 621 -0.369 6.368 3.735 605 HD22 LEU 621 HD22 LEU 621 -2.051 6.871 3.518 606 HD23 LEU 621 HD23 LEU 621 -0.767 8.088 3.640 607 H LYS 622 HN LYS 622 2.311 8.317 3.829 608 HA LYS 622 HA LYS 622 4.961 8.890 2.823 609 HB2 LYS 622 HB2 LYS 622 3.742 8.733 5.572 610 HB3 LYS 622 HB1 LYS 622 5.477 8.589 5.379 611 HG2 LYS 622 HG2 LYS 622 4.808 10.882 5.958 612 HG3 LYS 622 HG1 LYS 622 5.589 10.807 4.383 613 HD2 LYS 622 HD2 LYS 622 3.354 10.870 3.314 614 HD3 LYS 622 HD1 LYS 622 2.618 11.014 4.909 615 HE2 LYS 622 HE2 LYS 622 3.695 13.129 5.273 616 HE3 LYS 622 HE1 LYS 622 4.623 12.968 3.787 617 HZ1 LYS 622 HZ1 LYS 622 2.759 14.430 3.454 618 HZ2 LYS 622 HZ2 LYS 622 1.658 13.261 3.947 619 HZ3 LYS 622 HZ3 LYS 622 2.555 13.043 2.541 620 HA PRO 623 HA PRO 623 6.523 4.803 2.312 621 HB2 PRO 623 HB2 PRO 623 8.634 4.978 4.225 622 HB3 PRO 623 HB1 PRO 623 8.748 5.129 2.487 623 HG2 PRO 623 HG2 PRO 623 8.617 7.218 4.554 624 HG3 PRO 623 HG1 PRO 623 9.280 7.309 2.916 625 HD2 PRO 623 HD2 PRO 623 6.992 8.546 3.613 626 HD3 PRO 623 HD1 PRO 623 7.235 7.866 1.991 627 H THR 624 HN THR 624 6.063 5.887 5.642 628 HA THR 624 HA THR 624 6.328 3.487 7.000 629 HB THR 624 HB THR 624 4.481 4.741 8.446 630 HG1 THR 624 HG1 THR 624 5.509 7.070 7.485 631 HG21 THR 624 HG21 THR 624 6.313 6.101 9.453 632 HG22 THR 624 HG22 THR 624 7.349 5.658 8.084 633 HG23 THR 624 HG23 THR 624 6.761 4.421 9.187 634 H THR 625 HN THR 625 3.468 5.079 5.841 635 HA THR 625 HA THR 625 1.746 2.918 6.409 636 HB THR 625 HB THR 625 1.345 5.304 4.643 637 HG1 THR 625 HG1 THR 625 1.399 4.903 7.406 638 HG21 THR 625 HG21 THR 625 -0.422 3.599 4.463 639 HG22 THR 625 HG22 THR 625 -1.002 5.060 5.267 640 HG23 THR 625 HG23 THR 625 -0.621 3.626 6.220 641 H LEU 626 HN LEU 626 3.120 4.271 3.434 642 HA LEU 626 HA LEU 626 1.861 2.711 1.574 643 HB2 LEU 626 HB2 LEU 626 4.658 3.785 1.601 644 HB3 LEU 626 HB1 LEU 626 4.008 2.910 0.232 645 HG LEU 626 HG LEU 626 2.754 5.403 1.327 646 HD11 LEU 626 HD11 LEU 626 5.031 5.869 0.504 647 HD12 LEU 626 HD12 LEU 626 3.812 6.528 -0.588 648 HD13 LEU 626 HD13 LEU 626 4.654 5.037 -1.003 649 HD21 LEU 626 HD21 LEU 626 1.710 5.429 -0.884 650 HD22 LEU 626 HD22 LEU 626 1.244 4.014 0.064 651 HD23 LEU 626 HD23 LEU 626 2.431 3.858 -1.237 652 H ARG 627 HN ARG 627 4.869 2.040 3.296 653 HA ARG 627 HA ARG 627 5.315 -0.423 2.018 654 HB2 ARG 627 HB2 ARG 627 6.969 1.120 3.171 655 HB3 ARG 627 HB1 ARG 627 6.378 0.386 4.662 656 HG2 ARG 627 HG2 ARG 627 8.409 -0.706 3.923 657 HG3 ARG 627 HG1 ARG 627 7.046 -1.825 3.795 658 HD2 ARG 627 HD2 ARG 627 6.878 -1.449 1.414 659 HD3 ARG 627 HD1 ARG 627 8.079 -0.161 1.493 660 HE ARG 627 HE ARG 627 9.063 -2.686 2.391 661 HH11 ARG 627 HH11 ARG 627 8.413 -0.752 -0.536 662 HH12 ARG 627 HH12 ARG 627 9.606 -1.519 -1.454 663 HH21 ARG 627 HH21 ARG 627 10.703 -3.687 1.153 664 HH22 ARG 627 HH22 ARG 627 10.956 -3.217 -0.483 665 H GLU 628 HN GLU 628 3.641 0.575 4.938 666 HA GLU 628 HA GLU 628 3.503 -1.959 6.151 667 HB2 GLU 628 HB2 GLU 628 3.057 0.291 7.230 668 HB3 GLU 628 HB1 GLU 628 1.494 0.274 6.426 669 HG2 GLU 628 HG2 GLU 628 1.209 -0.456 8.685 670 HG3 GLU 628 HG1 GLU 628 0.968 -1.837 7.616 671 H LEU 629 HN LEU 629 1.444 -0.254 3.844 672 HA LEU 629 HA LEU 629 -0.741 -2.063 3.677 673 HB2 LEU 629 HB2 LEU 629 0.359 -0.804 1.145 674 HB3 LEU 629 HB1 LEU 629 -1.313 -1.045 1.636 675 HG LEU 629 HG LEU 629 0.468 1.048 2.813 676 HD11 LEU 629 HD11 LEU 629 -1.622 1.233 0.653 677 HD12 LEU 629 HD12 LEU 629 0.117 1.452 0.440 678 HD13 LEU 629 HD13 LEU 629 -0.805 2.592 1.416 679 HD21 LEU 629 HD21 LEU 629 -1.606 1.945 3.621 680 HD22 LEU 629 HD22 LEU 629 -1.398 0.294 4.220 681 HD23 LEU 629 HD23 LEU 629 -2.499 0.622 2.881 682 H GLU 630 HN GLU 630 2.301 -1.876 1.888 683 HA GLU 630 HA GLU 630 1.980 -4.190 0.333 684 HB2 GLU 630 HB2 GLU 630 3.653 -2.341 -0.094 685 HB3 GLU 630 HB1 GLU 630 4.626 -3.018 1.204 686 HG2 GLU 630 HG2 GLU 630 4.617 -5.193 -0.066 687 HG3 GLU 630 HG1 GLU 630 3.901 -4.317 -1.405 688 H ARG 631 HN ARG 631 3.582 -3.644 3.474 689 HA ARG 631 HA ARG 631 4.719 -6.142 3.785 690 HB2 ARG 631 HB2 ARG 631 5.486 -4.245 4.980 691 HB3 ARG 631 HB1 ARG 631 3.900 -3.966 5.659 692 HG2 ARG 631 HG2 ARG 631 4.077 -5.854 7.062 693 HG3 ARG 631 HG1 ARG 631 5.561 -6.376 6.252 694 HD2 ARG 631 HD2 ARG 631 5.300 -3.725 7.610 695 HD3 ARG 631 HD1 ARG 631 5.812 -5.190 8.439 696 HE ARG 631 HE ARG 631 7.315 -4.761 6.070 697 HH11 ARG 631 HH11 ARG 631 7.030 -3.470 9.344 698 HH12 ARG 631 HH12 ARG 631 8.677 -3.132 9.524 699 HH21 ARG 631 HH21 ARG 631 9.649 -4.293 6.314 700 HH22 ARG 631 HH22 ARG 631 10.200 -3.636 7.773 701 H TYR 632 HN TYR 632 1.558 -4.931 4.439 702 HA TYR 632 HA TYR 632 0.832 -7.214 6.009 703 HB2 TYR 632 HB2 TYR 632 -0.277 -5.203 6.583 704 HB3 TYR 632 HB1 TYR 632 -0.807 -4.921 4.924 705 HD1 TYR 632 HD1 TYR 632 -2.761 -5.906 4.107 706 HD2 TYR 632 HD2 TYR 632 -1.295 -7.075 7.896 707 HE1 TYR 632 HE1 TYR 632 -4.827 -7.110 4.493 708 HE2 TYR 632 HE2 TYR 632 -3.385 -8.311 8.342 709 HH TYR 632 HH TYR 632 -5.774 -8.237 7.558 710 H VAL 633 HN VAL 633 -0.001 -5.997 2.770 711 HA VAL 633 HA VAL 633 -1.524 -8.199 2.076 712 HB VAL 633 HB VAL 633 -1.321 -7.558 -0.260 713 HG11 VAL 633 HG11 VAL 633 -2.010 -5.264 -0.180 714 HG12 VAL 633 HG12 VAL 633 -1.361 -5.109 1.449 715 HG13 VAL 633 HG13 VAL 633 -2.742 -6.173 1.150 716 HG21 VAL 633 HG21 VAL 633 1.058 -7.166 -0.473 717 HG22 VAL 633 HG22 VAL 633 0.952 -5.807 0.631 718 HG23 VAL 633 HG23 VAL 633 0.199 -5.697 -0.967 719 H LYS 634 HN LYS 634 1.958 -7.719 1.797 720 HA LYS 634 HA LYS 634 2.397 -10.140 0.442 721 HB2 LYS 634 HB2 LYS 634 4.746 -9.766 0.768 722 HB3 LYS 634 HB1 LYS 634 3.952 -8.196 0.600 723 HG2 LYS 634 HG2 LYS 634 4.046 -7.799 2.927 724 HG3 LYS 634 HG1 LYS 634 4.729 -9.387 3.229 725 HD2 LYS 634 HD2 LYS 634 6.471 -7.655 3.272 726 HD3 LYS 634 HD1 LYS 634 6.728 -8.777 1.938 727 HE2 LYS 634 HE2 LYS 634 5.787 -7.190 0.382 728 HE3 LYS 634 HE1 LYS 634 5.401 -6.089 1.706 729 HZ1 LYS 634 HZ1 LYS 634 7.779 -5.910 2.147 730 HZ2 LYS 634 HZ2 LYS 634 7.365 -5.389 0.604 731 HZ3 LYS 634 HZ3 LYS 634 8.132 -6.879 0.816 732 H SER 635 HN SER 635 2.189 -9.349 3.876 733 HA SER 635 HA SER 635 2.942 -11.968 4.743 734 HB2 SER 635 HB2 SER 635 1.320 -9.855 6.195 735 HB3 SER 635 HB1 SER 635 2.015 -11.297 6.931 736 HG SER 635 HG SER 635 3.380 -9.112 5.753 737 H CYS 636 HN CYS 636 -0.137 -10.498 3.882 738 HA CYS 636 HA CYS 636 -1.713 -12.628 4.876 739 HB2 CYS 636 HB2 CYS 636 -2.527 -10.303 4.535 740 HB3 CYS 636 HB1 CYS 636 -2.373 -10.532 2.799 741 HG CYS 636 HG CYS 636 -4.578 -11.839 4.952 742 H LEU 637 HN LEU 637 -0.387 -11.766 1.762 743 HA LEU 637 HA LEU 637 -1.514 -14.002 0.383 744 HB2 LEU 637 HB2 LEU 637 0.636 -12.027 -0.270 745 HB3 LEU 637 HB1 LEU 637 0.126 -13.285 -1.379 746 HG LEU 637 HG LEU 637 -1.669 -11.018 -0.404 747 HD11 LEU 637 HD11 LEU 637 0.116 -10.166 -1.672 748 HD12 LEU 637 HD12 LEU 637 -1.371 -10.170 -2.626 749 HD13 LEU 637 HD13 LEU 637 -0.128 -11.393 -2.905 750 HD21 LEU 637 HD21 LEU 637 -1.998 -13.099 -2.563 751 HD22 LEU 637 HD22 LEU 637 -3.097 -11.767 -2.221 752 HD23 LEU 637 HD23 LEU 637 -2.886 -13.058 -1.038 753 H GLN 638 HN GLN 638 1.427 -13.272 2.133 754 HA GLN 638 HA GLN 638 3.388 -14.182 2.417 755 HB2 GLN 638 HB2 GLN 638 1.514 -16.348 2.268 756 HB3 GLN 638 HB1 GLN 638 3.223 -16.905 2.279 757 HG2 GLN 638 HG2 GLN 638 3.437 -15.573 4.393 758 HG3 GLN 638 HG1 GLN 638 1.719 -15.212 4.293 759 HE21 GLN 638 HE21 GLN 638 3.010 -18.350 3.451 760 HE22 GLN 638 HE22 GLN 638 2.386 -19.178 4.830 761 H LYS 639 HN LYS 639 2.872 -13.143 0.085 762 HA LYS 639 HA LYS 639 4.609 -14.531 -1.790 763 HB2 LYS 639 HB2 LYS 639 1.951 -13.218 -2.477 764 HB3 LYS 639 HB1 LYS 639 3.105 -13.832 -3.640 765 HG2 LYS 639 HG2 LYS 639 2.702 -16.083 -2.966 766 HG3 LYS 639 HG1 LYS 639 1.718 -15.553 -1.599 767 HD2 LYS 639 HD2 LYS 639 0.068 -14.612 -3.147 768 HD3 LYS 639 HD1 LYS 639 1.052 -15.115 -4.517 769 HE2 LYS 639 HE2 LYS 639 -0.794 -16.668 -4.117 770 HE3 LYS 639 HE1 LYS 639 0.768 -17.450 -3.884 771 HZ1 LYS 639 HZ1 LYS 639 -0.986 -16.428 -1.713 772 HZ2 LYS 639 HZ2 LYS 639 0.477 -17.231 -1.488 773 HZ3 LYS 639 HZ3 LYS 639 -0.833 -18.039 -2.157 774 H LYS 640 HN LYS 640 5.562 -12.882 -3.278 775 HA LYS 640 HA LYS 640 6.447 -10.873 -3.874 776 HB2 LYS 640 HB2 LYS 640 3.896 -9.836 -2.622 777 HB3 LYS 640 HB1 LYS 640 5.090 -8.749 -3.290 778 HG2 LYS 640 HG2 LYS 640 3.311 -9.072 -4.882 779 HG3 LYS 640 HG1 LYS 640 4.771 -9.817 -5.505 780 HD2 LYS 640 HD2 LYS 640 3.941 -12.012 -4.846 781 HD3 LYS 640 HD1 LYS 640 2.496 -11.268 -4.161 782 HE2 LYS 640 HE2 LYS 640 1.815 -10.471 -6.325 783 HE3 LYS 640 HE1 LYS 640 3.317 -11.035 -7.051 784 HZ1 LYS 640 HZ1 LYS 640 1.257 -12.777 -5.811 785 HZ2 LYS 640 HZ2 LYS 640 2.660 -13.302 -6.578 786 HZ3 LYS 640 HZ3 LYS 640 1.456 -12.553 -7.459 787 H GLN 641 HN GLN 641 6.870 -12.039 -1.105 788 HA GLN 641 HA GLN 641 7.602 -9.642 0.418 789 HB2 GLN 641 HB2 GLN 641 6.447 -11.634 1.491 790 HB3 GLN 641 HB1 GLN 641 7.946 -12.521 1.249 791 HG2 GLN 641 HG2 GLN 641 9.053 -10.587 2.537 792 HG3 GLN 641 HG1 GLN 641 7.417 -10.195 3.055 793 HE21 GLN 641 HE21 GLN 641 10.039 -12.314 3.321 794 HE22 GLN 641 HE22 GLN 641 9.445 -13.272 4.625 795 H ARG 642 HN ARG 642 8.906 -12.080 -1.540 796 HA ARG 642 HA ARG 642 10.904 -12.604 -2.337 797 HB2 ARG 642 HB2 ARG 642 11.515 -10.225 -2.476 798 HB3 ARG 642 HB1 ARG 642 11.939 -10.220 -0.781 799 HG2 ARG 642 HG2 ARG 642 13.937 -10.198 -2.135 800 HG3 ARG 642 HG1 ARG 642 13.829 -11.719 -1.259 801 HD2 ARG 642 HD2 ARG 642 12.845 -11.461 -4.081 802 HD3 ARG 642 HD1 ARG 642 14.541 -11.762 -3.734 803 HE ARG 642 HE ARG 642 13.352 -13.716 -2.366 804 HH11 ARG 642 HH11 ARG 642 12.828 -12.613 -5.670 805 HH12 ARG 642 HH12 ARG 642 12.499 -14.167 -6.293 806 HH21 ARG 642 HH21 ARG 642 12.943 -15.885 -3.258 807 HH22 ARG 642 HH22 ARG 642 12.595 -16.039 -4.921 808 H LYS 643 HN LYS 643 10.713 -14.488 -1.365 809 HA LYS 643 HA LYS 643 12.017 -14.929 1.199 810 HB2 LYS 643 HB2 LYS 643 10.511 -16.780 -0.672 811 HB3 LYS 643 HB1 LYS 643 11.187 -17.275 0.867 812 HG2 LYS 643 HG2 LYS 643 9.047 -15.169 0.521 813 HG3 LYS 643 HG1 LYS 643 8.743 -16.855 0.930 814 HD2 LYS 643 HD2 LYS 643 10.451 -14.992 2.597 815 HD3 LYS 643 HD1 LYS 643 8.741 -15.290 2.888 816 HE2 LYS 643 HE2 LYS 643 9.155 -17.615 3.308 817 HE3 LYS 643 HE1 LYS 643 10.847 -17.457 2.846 818 HZ1 LYS 643 HZ1 LYS 643 11.196 -16.019 4.733 819 HZ2 LYS 643 HZ2 LYS 643 10.581 -17.494 5.237 820 HZ3 LYS 643 HZ3 LYS 643 9.579 -16.138 5.199 821 HA PRO 644 HA PRO 644 15.839 -15.419 -1.142 822 HB2 PRO 644 HB2 PRO 644 16.565 -16.764 1.428 823 HB3 PRO 644 HB1 PRO 644 17.458 -15.544 0.512 824 HG2 PRO 644 HG2 PRO 644 16.144 -14.851 2.699 825 HG3 PRO 644 HG1 PRO 644 16.117 -13.804 1.271 826 HD2 PRO 644 HD2 PRO 644 13.999 -15.625 2.322 827 HD3 PRO 644 HD1 PRO 644 13.849 -14.034 1.547 Start of MODEL 15 1 H1 LYS 290 HT1 LYS 290 -7.681 10.816 -18.687 2 H2 LYS 290 HT2 LYS 290 -6.438 11.950 -18.416 3 H3 LYS 290 HT3 LYS 290 -7.850 12.030 -17.515 4 HA LYS 290 HA LYS 290 -7.381 10.010 -16.438 5 HB2 LYS 290 HB2 LYS 290 -4.831 10.071 -18.079 6 HB3 LYS 290 HB1 LYS 290 -5.122 8.969 -16.745 7 HG2 LYS 290 HG2 LYS 290 -7.016 7.988 -18.000 8 HG3 LYS 290 HG1 LYS 290 -6.669 9.080 -19.335 9 HD2 LYS 290 HD2 LYS 290 -4.745 7.012 -18.250 10 HD3 LYS 290 HD1 LYS 290 -5.752 6.793 -19.677 11 HE2 LYS 290 HE2 LYS 290 -4.628 8.702 -20.746 12 HE3 LYS 290 HE1 LYS 290 -3.618 8.902 -19.315 13 HZ1 LYS 290 HZ1 LYS 290 -3.647 6.485 -21.054 14 HZ2 LYS 290 HZ2 LYS 290 -2.652 6.730 -19.720 15 HZ3 LYS 290 HZ3 LYS 290 -2.484 7.695 -21.073 16 H VAL 291 HN VAL 291 -7.544 11.483 -14.821 17 HA VAL 291 HA VAL 291 -5.591 13.506 -14.465 18 HB VAL 291 HB VAL 291 -7.927 13.904 -13.850 19 HG11 VAL 291 HG11 VAL 291 -8.915 12.960 -11.818 20 HG12 VAL 291 HG12 VAL 291 -7.524 11.887 -11.660 21 HG13 VAL 291 HG13 VAL 291 -8.596 11.743 -13.051 22 HG21 VAL 291 HG21 VAL 291 -7.584 14.974 -11.660 23 HG22 VAL 291 HG22 VAL 291 -6.251 15.274 -12.776 24 HG23 VAL 291 HG23 VAL 291 -6.066 14.089 -11.484 25 H ALA 292 HN ALA 292 -6.146 10.380 -12.992 26 HA ALA 292 HA ALA 292 -3.677 10.762 -11.467 27 HB1 ALA 292 HB1 ALA 292 -4.586 9.203 -9.800 28 HB2 ALA 292 HB2 ALA 292 -6.080 9.090 -10.729 29 HB3 ALA 292 HB3 ALA 292 -5.623 10.621 -9.986 30 HA PRO 293 HA PRO 293 -2.433 7.348 -14.139 31 HB2 PRO 293 HB2 PRO 293 -0.054 7.140 -12.439 32 HB3 PRO 293 HB1 PRO 293 -0.156 7.572 -14.147 33 HG2 PRO 293 HG2 PRO 293 0.500 9.350 -12.208 34 HG3 PRO 293 HG1 PRO 293 -0.328 9.814 -13.701 35 HD2 PRO 293 HD2 PRO 293 -1.435 9.462 -10.948 36 HD3 PRO 293 HD1 PRO 293 -1.867 10.626 -12.222 37 H LEU 294 HN LEU 294 -2.381 7.372 -10.663 38 HA LEU 294 HA LEU 294 -3.181 4.595 -10.598 39 HB2 LEU 294 HB2 LEU 294 -0.729 4.573 -10.343 40 HB3 LEU 294 HB1 LEU 294 -0.856 5.698 -9.009 41 HG LEU 294 HG LEU 294 -2.063 3.977 -7.704 42 HD11 LEU 294 HD11 LEU 294 -1.418 2.186 -10.038 43 HD12 LEU 294 HD12 LEU 294 -3.031 2.684 -9.520 44 HD13 LEU 294 HD13 LEU 294 -2.046 1.658 -8.478 45 HD21 LEU 294 HD21 LEU 294 -0.111 2.555 -7.287 46 HD22 LEU 294 HD22 LEU 294 0.343 4.245 -7.452 47 HD23 LEU 294 HD23 LEU 294 0.621 3.122 -8.783 48 H LYS 295 HN LYS 295 -5.043 4.705 -9.538 49 HA LYS 295 HA LYS 295 -5.146 5.979 -6.964 50 HB2 LYS 295 HB2 LYS 295 -6.020 7.714 -8.535 51 HB3 LYS 295 HB1 LYS 295 -7.199 6.552 -9.134 52 HG2 LYS 295 HG2 LYS 295 -8.206 6.435 -6.902 53 HG3 LYS 295 HG1 LYS 295 -7.035 7.614 -6.319 54 HD2 LYS 295 HD2 LYS 295 -7.913 9.256 -7.911 55 HD3 LYS 295 HD1 LYS 295 -9.095 8.072 -8.471 56 HE2 LYS 295 HE2 LYS 295 -10.146 9.568 -6.872 57 HE3 LYS 295 HE1 LYS 295 -10.021 7.950 -6.197 58 HZ1 LYS 295 HZ1 LYS 295 -8.166 10.201 -5.535 59 HZ2 LYS 295 HZ2 LYS 295 -8.147 8.628 -4.873 60 HZ3 LYS 295 HZ3 LYS 295 -9.413 9.598 -4.569 61 H ILE 296 HN ILE 296 -6.395 4.785 -5.629 62 HA ILE 296 HA ILE 296 -7.881 2.579 -6.795 63 HB ILE 296 HB ILE 296 -5.861 1.551 -6.172 64 HG12 ILE 296 HG12 ILE 296 -6.385 0.127 -4.159 65 HG13 ILE 296 HG11 ILE 296 -7.777 1.152 -3.856 66 HG21 ILE 296 HG21 ILE 296 -5.908 3.076 -3.606 67 HG22 ILE 296 HG22 ILE 296 -4.840 3.317 -4.986 68 HG23 ILE 296 HG23 ILE 296 -4.731 1.828 -4.032 69 HD11 ILE 296 HD11 ILE 296 -8.413 -0.908 -4.957 70 HD12 ILE 296 HD12 ILE 296 -7.323 -0.549 -6.295 71 HD13 ILE 296 HD13 ILE 296 -8.727 0.476 -6.003 72 H LYS 297 HN LYS 297 -9.856 2.560 -6.115 73 HA LYS 297 HA LYS 297 -10.526 3.616 -3.459 74 HB2 LYS 297 HB2 LYS 297 -11.320 4.864 -5.759 75 HB3 LYS 297 HB1 LYS 297 -12.512 3.567 -5.662 76 HG2 LYS 297 HG2 LYS 297 -13.401 5.598 -4.751 77 HG3 LYS 297 HG1 LYS 297 -13.270 4.338 -3.522 78 HD2 LYS 297 HD2 LYS 297 -11.366 5.393 -2.539 79 HD3 LYS 297 HD1 LYS 297 -11.200 6.502 -3.905 80 HE2 LYS 297 HE2 LYS 297 -13.309 7.559 -3.324 81 HE3 LYS 297 HE1 LYS 297 -13.540 6.422 -2.003 82 HZ1 LYS 297 HZ1 LYS 297 -11.249 8.305 -2.182 83 HZ2 LYS 297 HZ2 LYS 297 -11.702 7.392 -0.832 84 HZ3 LYS 297 HZ3 LYS 297 -12.678 8.654 -1.362 85 H LEU 298 HN LEU 298 -12.006 2.245 -2.409 86 HA LEU 298 HA LEU 298 -11.908 -0.451 -3.348 87 HB2 LEU 298 HB2 LEU 298 -11.969 0.487 -0.888 88 HB3 LEU 298 HB1 LEU 298 -13.700 0.334 -1.090 89 HG LEU 298 HG LEU 298 -12.577 -1.518 0.128 90 HD11 LEU 298 HD11 LEU 298 -13.756 -3.348 -1.021 91 HD12 LEU 298 HD12 LEU 298 -13.903 -2.356 -2.466 92 HD13 LEU 298 HD13 LEU 298 -14.755 -1.893 -0.995 93 HD21 LEU 298 HD21 LEU 298 -11.299 -3.158 -1.144 94 HD22 LEU 298 HD22 LEU 298 -10.518 -1.578 -1.166 95 HD23 LEU 298 HD23 LEU 298 -11.403 -2.153 -2.576 96 H GLY 299 HN GLY 299 -13.311 -1.515 -4.509 97 HA2 GLY 299 HA2 GLY 299 -15.602 -2.134 -4.959 98 HA3 GLY 299 HA1 GLY 299 -16.019 -0.427 -4.828 99 H GLY 300 HN GLY 300 -14.688 0.977 -6.351 100 HA2 GLY 300 HA2 GLY 300 -15.183 -0.114 -9.000 101 HA3 GLY 300 HA1 GLY 300 -14.928 1.575 -8.604 102 H PHE 301 HN PHE 301 -13.204 -1.539 -8.754 103 HA PHE 301 HA PHE 301 -11.192 -0.434 -10.419 104 HB2 PHE 301 HB2 PHE 301 -10.436 0.364 -8.126 105 HB3 PHE 301 HB1 PHE 301 -10.266 -1.328 -7.675 106 HD1 PHE 301 HD1 PHE 301 -8.945 1.354 -9.816 107 HD2 PHE 301 HD2 PHE 301 -8.371 -2.618 -8.394 108 HE1 PHE 301 HE1 PHE 301 -6.648 1.374 -10.694 109 HE2 PHE 301 HE2 PHE 301 -6.073 -2.605 -9.272 110 HZ PHE 301 HZ PHE 301 -5.208 -0.606 -10.424 111 H ALA 557 HN ALA 557 10.475 19.279 26.176 112 HA ALA 557 HA ALA 557 12.374 19.170 24.694 113 HB1 ALA 557 HB1 ALA 557 14.257 17.729 25.294 114 HB2 ALA 557 HB2 ALA 557 13.485 17.357 26.834 115 HB3 ALA 557 HB3 ALA 557 14.029 18.999 26.496 116 H SER 558 HN SER 558 10.606 16.874 26.546 117 HA SER 558 HA SER 558 10.792 14.700 24.770 118 HB2 SER 558 HB2 SER 558 8.663 15.397 26.804 119 HB3 SER 558 HB1 SER 558 8.784 13.842 25.974 120 HG SER 558 HG SER 558 10.809 13.577 26.897 121 H ALA 559 HN ALA 559 9.810 14.272 23.013 122 HA ALA 559 HA ALA 559 8.567 14.360 21.154 123 HB1 ALA 559 HB1 ALA 559 6.234 15.106 21.218 124 HB2 ALA 559 HB2 ALA 559 6.524 15.889 22.774 125 HB3 ALA 559 HB3 ALA 559 6.605 14.134 22.640 126 H SER 560 HN SER 560 10.317 16.135 21.868 127 HA SER 560 HA SER 560 9.810 18.280 19.877 128 HB2 SER 560 HB2 SER 560 11.466 18.666 22.397 129 HB3 SER 560 HB1 SER 560 11.039 19.904 21.215 130 HG SER 560 HG SER 560 9.321 18.551 23.030 131 H TYR 561 HN TYR 561 12.298 16.518 21.704 132 HA TYR 561 HA TYR 561 14.085 16.625 19.394 133 HB2 TYR 561 HB2 TYR 561 14.494 15.617 22.226 134 HB3 TYR 561 HB1 TYR 561 15.717 15.526 20.967 135 HD1 TYR 561 HD1 TYR 561 13.652 17.906 22.922 136 HD2 TYR 561 HD2 TYR 561 17.120 17.360 20.533 137 HE1 TYR 561 HE1 TYR 561 14.383 20.172 23.488 138 HE2 TYR 561 HE2 TYR 561 17.865 19.626 21.092 139 HH TYR 561 HH TYR 561 16.946 21.701 21.829 140 H ASP 562 HN ASP 562 11.737 14.825 20.727 141 HA ASP 562 HA ASP 562 12.588 12.194 19.766 142 HB2 ASP 562 HB2 ASP 562 9.900 12.944 20.907 143 HB3 ASP 562 HB1 ASP 562 10.626 11.357 20.823 144 H SER 563 HN SER 563 12.307 12.111 17.587 145 HA SER 563 HA SER 563 9.668 12.608 16.538 146 HB2 SER 563 HB2 SER 563 12.062 14.052 15.401 147 HB3 SER 563 HB1 SER 563 10.430 14.021 14.727 148 HG SER 563 HG SER 563 10.221 14.740 17.248 149 H GLU 564 HN GLU 564 9.229 10.886 15.526 150 HA GLU 564 HA GLU 564 11.336 9.515 14.075 151 HB2 GLU 564 HB2 GLU 564 8.649 8.721 14.989 152 HB3 GLU 564 HB1 GLU 564 9.310 7.929 13.594 153 HG2 GLU 564 HG2 GLU 564 9.689 6.642 15.687 154 HG3 GLU 564 HG1 GLU 564 11.166 7.045 14.831 155 H GLU 565 HN GLU 565 11.314 9.367 12.113 156 HA GLU 565 HA GLU 565 9.326 10.842 10.528 157 HB2 GLU 565 HB2 GLU 565 12.338 10.981 10.228 158 HB3 GLU 565 HB1 GLU 565 11.196 11.642 9.075 159 HG2 GLU 565 HG2 GLU 565 11.506 12.513 11.940 160 HG3 GLU 565 HG1 GLU 565 12.162 13.346 10.532 161 H GLU 566 HN GLU 566 12.316 9.246 9.655 162 HA GLU 566 HA GLU 566 10.788 7.717 7.745 163 HB2 GLU 566 HB2 GLU 566 13.787 7.993 7.943 164 HB3 GLU 566 HB1 GLU 566 12.854 7.410 6.575 165 HG2 GLU 566 HG2 GLU 566 12.928 10.242 7.616 166 HG3 GLU 566 HG1 GLU 566 13.672 9.648 6.140 167 H GLU 567 HN GLU 567 9.963 6.415 9.428 168 HA GLU 567 HA GLU 567 11.608 4.736 10.999 169 HB2 GLU 567 HB2 GLU 567 8.713 4.298 10.206 170 HB3 GLU 567 HB1 GLU 567 9.542 3.528 11.553 171 HG2 GLU 567 HG2 GLU 567 9.777 5.647 12.687 172 HG3 GLU 567 HG1 GLU 567 9.095 6.499 11.305 173 H GLU 568 HN GLU 568 9.925 4.232 8.057 174 HA GLU 568 HA GLU 568 11.643 1.883 7.422 175 HB2 GLU 568 HB2 GLU 568 9.162 2.963 6.050 176 HB3 GLU 568 HB1 GLU 568 10.172 1.734 5.317 177 HG2 GLU 568 HG2 GLU 568 8.660 1.485 7.905 178 HG3 GLU 568 HG1 GLU 568 8.185 0.783 6.360 179 H GLY 569 HN GLY 569 10.392 4.496 5.848 180 HA2 GLY 569 HA2 GLY 569 11.376 6.395 4.719 181 HA3 GLY 569 HA1 GLY 569 12.923 5.859 5.358 182 H LEU 570 HN LEU 570 10.877 3.790 3.686 183 HA LEU 570 HA LEU 570 12.877 3.360 1.644 184 HB2 LEU 570 HB2 LEU 570 10.380 1.943 2.426 185 HB3 LEU 570 HB1 LEU 570 11.565 1.319 1.267 186 HG LEU 570 HG LEU 570 11.906 1.799 4.215 187 HD11 LEU 570 HD11 LEU 570 11.812 -0.734 2.576 188 HD12 LEU 570 HD12 LEU 570 10.599 -0.168 3.728 189 HD13 LEU 570 HD13 LEU 570 12.195 -0.652 4.293 190 HD21 LEU 570 HD21 LEU 570 13.908 0.803 2.184 191 HD22 LEU 570 HD22 LEU 570 14.128 0.703 3.929 192 HD23 LEU 570 HD23 LEU 570 14.009 2.277 3.147 193 HA PRO 571 HA PRO 571 10.155 5.889 -0.963 194 HB2 PRO 571 HB2 PRO 571 12.187 5.161 -2.977 195 HB3 PRO 571 HB1 PRO 571 11.610 6.759 -2.502 196 HG2 PRO 571 HG2 PRO 571 14.047 5.943 -1.780 197 HG3 PRO 571 HG1 PRO 571 13.034 6.888 -0.674 198 HD2 PRO 571 HD2 PRO 571 13.541 3.933 -0.713 199 HD3 PRO 571 HD1 PRO 571 13.479 5.057 0.665 200 H MET 572 HN MET 572 8.513 5.078 -1.992 201 HA MET 572 HA MET 572 8.604 2.315 -2.940 202 HB2 MET 572 HB2 MET 572 6.303 4.249 -2.613 203 HB3 MET 572 HB1 MET 572 6.154 2.599 -3.204 204 HG2 MET 572 HG2 MET 572 7.265 3.312 -0.499 205 HG3 MET 572 HG1 MET 572 5.571 2.923 -0.799 206 HE1 MET 572 HE1 MET 572 5.661 0.594 -2.925 207 HE2 MET 572 HE2 MET 572 4.685 0.678 -1.472 208 HE3 MET 572 HE3 MET 572 5.617 -0.784 -1.811 209 H SER 573 HN SER 573 8.916 1.905 -5.009 210 HA SER 573 HA SER 573 9.176 4.105 -6.820 211 HB2 SER 573 HB2 SER 573 9.306 1.150 -7.481 212 HB3 SER 573 HB1 SER 573 10.078 2.489 -8.327 213 HG SER 573 HG SER 573 10.667 1.481 -5.757 214 H TYR 574 HN TYR 574 7.965 4.139 -8.929 215 HA TYR 574 HA TYR 574 5.202 3.917 -8.516 216 HB2 TYR 574 HB2 TYR 574 6.808 4.377 -10.996 217 HB3 TYR 574 HB1 TYR 574 5.066 4.137 -11.089 218 HD1 TYR 574 HD1 TYR 574 3.571 5.691 -9.798 219 HD2 TYR 574 HD2 TYR 574 7.702 6.475 -10.399 220 HE1 TYR 574 HE1 TYR 574 3.187 8.059 -9.277 221 HE2 TYR 574 HE2 TYR 574 7.329 8.849 -9.868 222 HH TYR 574 HH TYR 574 4.435 9.998 -8.475 223 H ASP 575 HN ASP 575 7.431 1.635 -9.792 224 HA ASP 575 HA ASP 575 5.490 -0.173 -10.815 225 HB2 ASP 575 HB2 ASP 575 7.938 -0.297 -11.340 226 HB3 ASP 575 HB1 ASP 575 8.219 -0.871 -9.698 227 H GLU 576 HN GLU 576 7.201 0.032 -7.699 228 HA GLU 576 HA GLU 576 6.061 -2.108 -6.385 229 HB2 GLU 576 HB2 GLU 576 6.941 0.528 -5.186 230 HB3 GLU 576 HB1 GLU 576 6.672 -0.968 -4.306 231 HG2 GLU 576 HG2 GLU 576 8.449 -2.044 -5.618 232 HG3 GLU 576 HG1 GLU 576 8.743 -0.528 -6.432 233 H LYS 577 HN LYS 577 5.059 1.269 -6.435 234 HA LYS 577 HA LYS 577 2.736 1.181 -4.897 235 HB2 LYS 577 HB2 LYS 577 3.354 2.863 -7.328 236 HB3 LYS 577 HB1 LYS 577 2.037 3.170 -6.218 237 HG2 LYS 577 HG2 LYS 577 3.599 3.686 -4.450 238 HG3 LYS 577 HG1 LYS 577 4.955 3.205 -5.471 239 HD2 LYS 577 HD2 LYS 577 4.481 5.011 -7.023 240 HD3 LYS 577 HD1 LYS 577 3.043 5.461 -6.121 241 HE2 LYS 577 HE2 LYS 577 4.421 6.054 -4.207 242 HE3 LYS 577 HE1 LYS 577 5.864 5.525 -5.074 243 HZ1 LYS 577 HZ1 LYS 577 5.587 7.280 -6.643 244 HZ2 LYS 577 HZ2 LYS 577 5.481 7.978 -5.124 245 HZ3 LYS 577 HZ3 LYS 577 4.090 7.733 -6.026 246 H ARG 578 HN ARG 578 3.130 0.720 -8.383 247 HA ARG 578 HA ARG 578 0.463 0.433 -9.126 248 HB2 ARG 578 HB2 ARG 578 2.305 0.670 -10.728 249 HB3 ARG 578 HB1 ARG 578 2.902 -0.914 -10.283 250 HG2 ARG 578 HG2 ARG 578 1.724 -1.040 -12.398 251 HG3 ARG 578 HG1 ARG 578 0.848 -1.934 -11.162 252 HD2 ARG 578 HD2 ARG 578 -0.626 -0.577 -12.598 253 HD3 ARG 578 HD1 ARG 578 -0.728 -0.128 -10.896 254 HE ARG 578 HE ARG 578 1.145 1.544 -11.884 255 HH11 ARG 578 HH11 ARG 578 -2.142 0.827 -12.975 256 HH12 ARG 578 HH12 ARG 578 -2.449 2.421 -13.498 257 HH21 ARG 578 HH21 ARG 578 0.719 3.682 -12.565 258 HH22 ARG 578 HH22 ARG 578 -0.796 4.088 -13.256 259 H GLN 579 HN GLN 579 2.834 -2.023 -8.278 260 HA GLN 579 HA GLN 579 1.067 -4.197 -8.590 261 HB2 GLN 579 HB2 GLN 579 3.737 -3.928 -8.512 262 HB3 GLN 579 HB1 GLN 579 3.474 -4.362 -6.841 263 HG2 GLN 579 HG2 GLN 579 2.519 -6.009 -9.158 264 HG3 GLN 579 HG1 GLN 579 4.071 -6.253 -8.357 265 HE21 GLN 579 HE21 GLN 579 0.655 -6.709 -8.202 266 HE22 GLN 579 HE22 GLN 579 0.636 -7.565 -6.702 267 H LEU 580 HN LEU 580 1.980 -2.136 -5.877 268 HA LEU 580 HA LEU 580 0.894 -3.653 -3.778 269 HB2 LEU 580 HB2 LEU 580 2.474 -1.640 -3.739 270 HB3 LEU 580 HB1 LEU 580 1.066 -0.646 -3.978 271 HG LEU 580 HG LEU 580 1.503 -2.404 -1.553 272 HD11 LEU 580 HD11 LEU 580 3.231 -0.767 -1.714 273 HD12 LEU 580 HD12 LEU 580 2.123 -0.298 -0.423 274 HD13 LEU 580 HD13 LEU 580 2.082 0.523 -1.984 275 HD21 LEU 580 HD21 LEU 580 -0.396 -0.091 -2.016 276 HD22 LEU 580 HD22 LEU 580 -0.220 -1.010 -0.520 277 HD23 LEU 580 HD23 LEU 580 -0.850 -1.792 -1.972 278 H SER 581 HN SER 581 -0.480 -1.247 -5.971 279 HA SER 581 HA SER 581 -2.993 -1.036 -4.699 280 HB2 SER 581 HB2 SER 581 -2.121 0.678 -6.245 281 HB3 SER 581 HB1 SER 581 -2.232 -0.473 -7.577 282 HG SER 581 HG SER 581 -4.590 -0.499 -6.558 283 H LEU 582 HN LEU 582 -1.645 -3.213 -7.063 284 HA LEU 582 HA LEU 582 -4.139 -4.431 -7.839 285 HB2 LEU 582 HB2 LEU 582 -1.354 -5.590 -8.013 286 HB3 LEU 582 HB1 LEU 582 -2.762 -6.084 -8.927 287 HG LEU 582 HG LEU 582 -1.311 -3.459 -9.211 288 HD11 LEU 582 HD11 LEU 582 -1.409 -5.861 -11.025 289 HD12 LEU 582 HD12 LEU 582 -0.026 -5.339 -10.070 290 HD13 LEU 582 HD13 LEU 582 -0.615 -4.330 -11.391 291 HD21 LEU 582 HD21 LEU 582 -3.620 -4.593 -10.789 292 HD22 LEU 582 HD22 LEU 582 -2.732 -3.122 -11.185 293 HD23 LEU 582 HD23 LEU 582 -3.680 -3.207 -9.699 294 H ASP 583 HN ASP 583 -1.568 -5.114 -5.571 295 HA ASP 583 HA ASP 583 -2.600 -7.533 -4.643 296 HB2 ASP 583 HB2 ASP 583 -0.644 -5.589 -3.493 297 HB3 ASP 583 HB1 ASP 583 -1.184 -6.979 -2.558 298 H ILE 584 HN ILE 584 -3.165 -4.264 -3.533 299 HA ILE 584 HA ILE 584 -4.805 -4.985 -1.359 300 HB ILE 584 HB ILE 584 -4.722 -2.491 -3.048 301 HG12 ILE 584 HG12 ILE 584 -3.847 -3.163 -0.248 302 HG13 ILE 584 HG11 ILE 584 -2.841 -2.692 -1.615 303 HG21 ILE 584 HG21 ILE 584 -6.241 -1.367 -1.483 304 HG22 ILE 584 HG22 ILE 584 -6.497 -2.889 -0.640 305 HG23 ILE 584 HG23 ILE 584 -7.045 -2.707 -2.309 306 HD11 ILE 584 HD11 ILE 584 -4.834 -1.011 -0.192 307 HD12 ILE 584 HD12 ILE 584 -3.816 -0.445 -1.535 308 HD13 ILE 584 HD13 ILE 584 -3.087 -0.895 0.025 309 H ASN 585 HN ASN 585 -5.513 -4.564 -4.763 310 HA ASN 585 HA ASN 585 -8.342 -4.876 -4.356 311 HB2 ASN 585 HB2 ASN 585 -7.327 -3.521 -6.239 312 HB3 ASN 585 HB1 ASN 585 -6.842 -5.035 -6.987 313 HD21 ASN 585 HD21 ASN 585 -8.354 -6.209 -8.096 314 HD22 ASN 585 HD22 ASN 585 -9.976 -5.690 -8.338 315 H ARG 586 HN ARG 586 -5.714 -6.936 -4.674 316 HA ARG 586 HA ARG 586 -7.122 -9.323 -5.413 317 HB2 ARG 586 HB2 ARG 586 -4.446 -8.796 -4.165 318 HB3 ARG 586 HB1 ARG 586 -5.059 -10.429 -4.305 319 HG2 ARG 586 HG2 ARG 586 -5.136 -10.214 -6.715 320 HG3 ARG 586 HG1 ARG 586 -4.614 -8.529 -6.607 321 HD2 ARG 586 HD2 ARG 586 -2.475 -9.162 -5.809 322 HD3 ARG 586 HD1 ARG 586 -3.000 -10.816 -5.504 323 HE ARG 586 HE ARG 586 -3.376 -10.620 -8.112 324 HH11 ARG 586 HH11 ARG 586 -0.559 -9.384 -6.310 325 HH12 ARG 586 HH12 ARG 586 0.584 -10.006 -7.389 326 HH21 ARG 586 HH21 ARG 586 -1.750 -11.466 -9.621 327 HH22 ARG 586 HH22 ARG 586 -0.092 -11.174 -9.324 328 H LEU 587 HN LEU 587 -6.527 -7.616 -2.438 329 HA LEU 587 HA LEU 587 -7.092 -9.785 -0.701 330 HB2 LEU 587 HB2 LEU 587 -7.116 -6.825 -0.177 331 HB3 LEU 587 HB1 LEU 587 -7.314 -8.051 1.052 332 HG LEU 587 HG LEU 587 -4.852 -7.434 -0.560 333 HD11 LEU 587 HD11 LEU 587 -3.909 -7.050 1.686 334 HD12 LEU 587 HD12 LEU 587 -5.518 -7.298 2.366 335 HD13 LEU 587 HD13 LEU 587 -5.221 -5.944 1.273 336 HD21 LEU 587 HD21 LEU 587 -5.326 -9.721 1.362 337 HD22 LEU 587 HD22 LEU 587 -3.759 -9.231 0.726 338 HD23 LEU 587 HD23 LEU 587 -4.993 -9.847 -0.370 339 HA PRO 588 HA PRO 588 -11.511 -9.419 -0.668 340 HB2 PRO 588 HB2 PRO 588 -12.007 -11.089 1.400 341 HB3 PRO 588 HB1 PRO 588 -11.464 -11.703 -0.163 342 HG2 PRO 588 HG2 PRO 588 -9.933 -11.284 2.352 343 HG3 PRO 588 HG1 PRO 588 -9.813 -12.598 1.174 344 HD2 PRO 588 HD2 PRO 588 -8.082 -10.430 1.285 345 HD3 PRO 588 HD1 PRO 588 -8.362 -11.432 -0.147 346 H GLY 589 HN GLY 589 -13.148 -8.576 0.775 347 HA2 GLY 589 HA2 GLY 589 -12.408 -6.232 2.001 348 HA3 GLY 589 HA1 GLY 589 -13.972 -6.998 2.213 349 H GLU 590 HN GLU 590 -12.823 -9.342 3.538 350 HA GLU 590 HA GLU 590 -12.884 -8.468 6.210 351 HB2 GLU 590 HB2 GLU 590 -12.193 -10.727 6.831 352 HB3 GLU 590 HB1 GLU 590 -13.461 -10.755 5.605 353 HG2 GLU 590 HG2 GLU 590 -11.913 -11.381 3.914 354 HG3 GLU 590 HG1 GLU 590 -10.550 -11.026 4.977 355 H LYS 591 HN LYS 591 -10.244 -8.932 4.024 356 HA LYS 591 HA LYS 591 -8.221 -8.633 6.121 357 HB2 LYS 591 HB2 LYS 591 -7.875 -8.919 3.128 358 HB3 LYS 591 HB1 LYS 591 -6.591 -8.982 4.321 359 HG2 LYS 591 HG2 LYS 591 -8.839 -10.969 4.022 360 HG3 LYS 591 HG1 LYS 591 -7.167 -11.200 3.534 361 HD2 LYS 591 HD2 LYS 591 -6.459 -10.981 5.854 362 HD3 LYS 591 HD1 LYS 591 -8.139 -10.774 6.361 363 HE2 LYS 591 HE2 LYS 591 -8.666 -13.001 5.480 364 HE3 LYS 591 HE1 LYS 591 -6.988 -13.191 4.976 365 HZ1 LYS 591 HZ1 LYS 591 -7.905 -12.886 7.797 366 HZ2 LYS 591 HZ2 LYS 591 -6.312 -13.129 7.286 367 HZ3 LYS 591 HZ3 LYS 591 -7.454 -14.324 7.061 368 H LEU 592 HN LEU 592 -9.753 -6.924 3.554 369 HA LEU 592 HA LEU 592 -8.021 -4.810 3.252 370 HB2 LEU 592 HB2 LEU 592 -10.847 -5.292 2.681 371 HB3 LEU 592 HB1 LEU 592 -10.325 -3.621 2.667 372 HG LEU 592 HG LEU 592 -8.713 -5.585 1.099 373 HD11 LEU 592 HD11 LEU 592 -10.964 -6.126 0.408 374 HD12 LEU 592 HD12 LEU 592 -10.233 -5.111 -0.838 375 HD13 LEU 592 HD13 LEU 592 -11.385 -4.426 0.321 376 HD21 LEU 592 HD21 LEU 592 -9.507 -2.712 0.746 377 HD22 LEU 592 HD22 LEU 592 -8.452 -3.631 -0.324 378 HD23 LEU 592 HD23 LEU 592 -7.959 -3.315 1.342 379 H GLY 593 HN GLY 593 -10.314 -5.433 5.760 380 HA2 GLY 593 HA2 GLY 593 -10.833 -2.898 6.742 381 HA3 GLY 593 HA1 GLY 593 -10.749 -4.346 7.741 382 H ARG 594 HN ARG 594 -8.049 -4.994 7.423 383 HA ARG 594 HA ARG 594 -6.928 -3.204 9.280 384 HB2 ARG 594 HB2 ARG 594 -6.247 -5.421 9.535 385 HB3 ARG 594 HB1 ARG 594 -5.827 -5.618 7.851 386 HG2 ARG 594 HG2 ARG 594 -3.843 -5.523 9.283 387 HG3 ARG 594 HG1 ARG 594 -3.882 -4.188 8.136 388 HD2 ARG 594 HD2 ARG 594 -4.751 -2.726 9.850 389 HD3 ARG 594 HD1 ARG 594 -4.750 -4.080 10.983 390 HE ARG 594 HE ARG 594 -2.161 -3.946 10.138 391 HH11 ARG 594 HH11 ARG 594 -4.237 -1.472 11.649 392 HH12 ARG 594 HH12 ARG 594 -2.927 -0.486 12.091 393 HH21 ARG 594 HH21 ARG 594 -0.424 -2.587 10.748 394 HH22 ARG 594 HH22 ARG 594 -0.712 -1.113 11.576 395 H VAL 595 HN VAL 595 -6.338 -3.763 5.827 396 HA VAL 595 HA VAL 595 -4.195 -1.945 5.830 397 HB VAL 595 HB VAL 595 -4.428 -3.671 4.039 398 HG11 VAL 595 HG11 VAL 595 -5.880 -3.403 2.174 399 HG12 VAL 595 HG12 VAL 595 -6.526 -1.916 2.871 400 HG13 VAL 595 HG13 VAL 595 -6.798 -3.452 3.690 401 HG21 VAL 595 HG21 VAL 595 -2.904 -1.821 3.674 402 HG22 VAL 595 HG22 VAL 595 -4.219 -0.852 3.007 403 HG23 VAL 595 HG23 VAL 595 -3.670 -2.294 2.156 404 H VAL 596 HN VAL 596 -7.635 -1.474 5.383 405 HA VAL 596 HA VAL 596 -7.521 1.221 4.590 406 HB VAL 596 HB VAL 596 -9.675 -0.062 6.342 407 HG11 VAL 596 HG11 VAL 596 -11.154 1.663 5.449 408 HG12 VAL 596 HG12 VAL 596 -9.809 2.362 4.565 409 HG13 VAL 596 HG13 VAL 596 -9.805 2.391 6.340 410 HG21 VAL 596 HG21 VAL 596 -10.938 -0.394 4.270 411 HG22 VAL 596 HG22 VAL 596 -9.414 -1.281 4.243 412 HG23 VAL 596 HG23 VAL 596 -9.575 0.232 3.351 413 H HIS 597 HN HIS 597 -7.357 -0.313 7.806 414 HA HIS 597 HA HIS 597 -7.475 2.104 9.280 415 HB2 HIS 597 HB2 HIS 597 -6.324 -0.589 10.094 416 HB3 HIS 597 HB1 HIS 597 -6.625 0.748 11.189 417 HD1 HIS 597 HD1 HIS 597 -7.967 -2.281 11.093 418 HD2 HIS 597 HD2 HIS 597 -9.707 1.379 10.157 419 HE1 HIS 597 HE1 HIS 597 -10.436 -2.591 11.375 420 H ILE 598 HN ILE 598 -4.944 0.287 7.734 421 HA ILE 598 HA ILE 598 -2.752 1.433 9.039 422 HB ILE 598 HB ILE 598 -2.830 0.408 6.174 423 HG12 ILE 598 HG12 ILE 598 -2.061 -1.027 8.727 424 HG13 ILE 598 HG11 ILE 598 -3.577 -1.249 7.867 425 HG21 ILE 598 HG21 ILE 598 -0.526 0.823 8.094 426 HG22 ILE 598 HG22 ILE 598 -0.853 1.775 6.644 427 HG23 ILE 598 HG23 ILE 598 -0.401 0.073 6.502 428 HD11 ILE 598 HD11 ILE 598 -0.811 -1.990 6.919 429 HD12 ILE 598 HD12 ILE 598 -2.247 -2.058 5.910 430 HD13 ILE 598 HD13 ILE 598 -2.146 -3.073 7.343 431 H ILE 599 HN ILE 599 -4.489 2.404 6.076 432 HA ILE 599 HA ILE 599 -2.942 4.729 5.660 433 HB ILE 599 HB ILE 599 -5.826 4.195 4.822 434 HG12 ILE 599 HG12 ILE 599 -4.762 4.415 2.480 435 HG13 ILE 599 HG11 ILE 599 -3.226 4.229 3.300 436 HG21 ILE 599 HG21 ILE 599 -5.725 6.231 3.438 437 HG22 ILE 599 HG22 ILE 599 -4.166 6.603 4.199 438 HG23 ILE 599 HG23 ILE 599 -5.622 6.548 5.177 439 HD11 ILE 599 HD11 ILE 599 -3.993 2.161 2.349 440 HD12 ILE 599 HD12 ILE 599 -5.480 2.271 3.297 441 HD13 ILE 599 HD13 ILE 599 -3.929 2.056 4.111 442 H GLN 600 HN GLN 600 -5.942 4.190 7.474 443 HA GLN 600 HA GLN 600 -6.469 6.800 8.247 444 HB2 GLN 600 HB2 GLN 600 -6.985 4.354 9.915 445 HB3 GLN 600 HB1 GLN 600 -7.782 5.916 10.063 446 HG2 GLN 600 HG2 GLN 600 -8.438 5.579 7.660 447 HG3 GLN 600 HG1 GLN 600 -7.995 3.898 7.893 448 HE21 GLN 600 HE21 GLN 600 -10.243 6.363 8.646 449 HE22 GLN 600 HE22 GLN 600 -11.426 5.359 9.403 450 H SER 601 HN SER 601 -4.134 4.607 9.501 451 HA SER 601 HA SER 601 -3.648 5.693 12.009 452 HB2 SER 601 HB2 SER 601 -1.641 4.471 10.104 453 HB3 SER 601 HB1 SER 601 -1.452 4.629 11.850 454 HG SER 601 HG SER 601 -3.610 3.218 10.657 455 H ARG 602 HN ARG 602 -2.344 6.643 8.832 456 HA ARG 602 HA ARG 602 -0.950 8.874 10.132 457 HB2 ARG 602 HB2 ARG 602 0.409 7.279 8.800 458 HB3 ARG 602 HB1 ARG 602 -0.547 7.649 7.387 459 HG2 ARG 602 HG2 ARG 602 1.031 9.797 8.778 460 HG3 ARG 602 HG1 ARG 602 1.810 8.683 7.660 461 HD2 ARG 602 HD2 ARG 602 0.201 9.367 5.924 462 HD3 ARG 602 HD1 ARG 602 -0.475 10.561 7.039 463 HE ARG 602 HE ARG 602 2.176 11.090 6.995 464 HH11 ARG 602 HH11 ARG 602 -0.471 11.226 4.651 465 HH12 ARG 602 HH12 ARG 602 0.405 12.065 3.466 466 HH21 ARG 602 HH21 ARG 602 3.386 12.366 5.364 467 HH22 ARG 602 HH22 ARG 602 2.638 12.769 3.906 468 H GLU 603 HN GLU 603 -3.637 8.106 8.202 469 HA GLU 603 HA GLU 603 -3.872 10.852 7.213 470 HB2 GLU 603 HB2 GLU 603 -5.019 8.295 6.139 471 HB3 GLU 603 HB1 GLU 603 -5.401 9.887 5.515 472 HG2 GLU 603 HG2 GLU 603 -2.643 8.685 5.553 473 HG3 GLU 603 HG1 GLU 603 -3.748 8.606 4.183 474 HA PRO 604 HA PRO 604 -7.420 10.487 9.986 475 HB2 PRO 604 HB2 PRO 604 -7.518 13.042 10.803 476 HB3 PRO 604 HB1 PRO 604 -6.267 11.897 11.357 477 HG2 PRO 604 HG2 PRO 604 -6.032 13.969 9.208 478 HG3 PRO 604 HG1 PRO 604 -4.949 13.664 10.582 479 HD2 PRO 604 HD2 PRO 604 -4.535 12.654 8.080 480 HD3 PRO 604 HD1 PRO 604 -3.964 11.855 9.560 481 H SER 605 HN SER 605 -6.707 12.083 7.097 482 HA SER 605 HA SER 605 -9.154 13.370 6.531 483 HB2 SER 605 HB2 SER 605 -8.129 13.201 4.206 484 HB3 SER 605 HB1 SER 605 -7.186 14.073 5.423 485 HG SER 605 HG SER 605 -6.134 12.361 4.067 486 H LEU 606 HN LEU 606 -7.836 10.188 6.213 487 HA LEU 606 HA LEU 606 -9.781 9.075 4.467 488 HB2 LEU 606 HB2 LEU 606 -7.497 8.154 5.013 489 HB3 LEU 606 HB1 LEU 606 -8.088 7.704 6.585 490 HG LEU 606 HG LEU 606 -7.931 5.742 5.183 491 HD11 LEU 606 HD11 LEU 606 -9.940 6.013 6.676 492 HD12 LEU 606 HD12 LEU 606 -10.009 4.757 5.442 493 HD13 LEU 606 HD13 LEU 606 -10.872 6.289 5.205 494 HD21 LEU 606 HD21 LEU 606 -7.966 6.790 3.020 495 HD22 LEU 606 HD22 LEU 606 -9.668 7.205 3.217 496 HD23 LEU 606 HD23 LEU 606 -9.182 5.515 3.086 497 H ARG 607 HN ARG 607 -9.320 9.172 7.939 498 HA ARG 607 HA ARG 607 -11.591 7.854 8.869 499 HB2 ARG 607 HB2 ARG 607 -10.238 10.224 10.115 500 HB3 ARG 607 HB1 ARG 607 -11.261 9.068 10.953 501 HG2 ARG 607 HG2 ARG 607 -9.671 7.337 10.607 502 HG3 ARG 607 HG1 ARG 607 -8.651 8.363 9.613 503 HD2 ARG 607 HD2 ARG 607 -8.580 9.925 11.672 504 HD3 ARG 607 HD1 ARG 607 -9.284 8.590 12.574 505 HE ARG 607 HE ARG 607 -6.831 7.990 11.148 506 HH11 ARG 607 HH11 ARG 607 -8.250 8.813 14.308 507 HH12 ARG 607 HH12 ARG 607 -6.788 8.551 15.144 508 HH21 ARG 607 HH21 ARG 607 -4.887 7.675 12.309 509 HH22 ARG 607 HH22 ARG 607 -4.829 7.893 14.002 510 H ASP 608 HN ASP 608 -11.217 11.109 7.678 511 HA ASP 608 HA ASP 608 -13.710 12.180 8.512 512 HB2 ASP 608 HB2 ASP 608 -11.926 13.659 7.758 513 HB3 ASP 608 HB1 ASP 608 -11.958 12.928 6.158 514 H SER 609 HN SER 609 -12.725 10.324 5.732 515 HA SER 609 HA SER 609 -15.300 10.502 4.428 516 HB2 SER 609 HB2 SER 609 -12.839 8.855 3.813 517 HB3 SER 609 HB1 SER 609 -14.179 9.178 2.702 518 HG SER 609 HG SER 609 -13.402 11.490 3.518 519 H ASN 610 HN ASN 610 -15.602 7.854 3.533 520 HA ASN 610 HA ASN 610 -16.246 6.465 6.025 521 HB2 ASN 610 HB2 ASN 610 -17.174 5.947 3.177 522 HB3 ASN 610 HB1 ASN 610 -17.633 4.977 4.565 523 HD21 ASN 610 HD21 ASN 610 -19.090 5.830 6.063 524 HD22 ASN 610 HD22 ASN 610 -20.072 7.193 5.702 525 HA PRO 611 HA PRO 611 -12.818 3.721 5.311 526 HB2 PRO 611 HB2 PRO 611 -13.567 1.618 6.858 527 HB3 PRO 611 HB1 PRO 611 -12.997 3.142 7.547 528 HG2 PRO 611 HG2 PRO 611 -15.803 2.155 7.192 529 HG3 PRO 611 HG1 PRO 611 -15.076 2.982 8.581 530 HD2 PRO 611 HD2 PRO 611 -16.621 4.258 6.755 531 HD3 PRO 611 HD1 PRO 611 -15.296 5.062 7.623 532 H ASP 612 HN ASP 612 -15.919 3.162 4.346 533 HA ASP 612 HA ASP 612 -16.006 0.548 3.296 534 HB2 ASP 612 HB2 ASP 612 -17.977 1.994 3.510 535 HB3 ASP 612 HB1 ASP 612 -17.322 3.070 2.293 536 H GLU 613 HN GLU 613 -15.074 3.594 1.888 537 HA GLU 613 HA GLU 613 -13.802 2.154 -0.319 538 HB2 GLU 613 HB2 GLU 613 -14.591 5.041 -0.045 539 HB3 GLU 613 HB1 GLU 613 -13.554 4.439 -1.328 540 HG2 GLU 613 HG2 GLU 613 -15.258 3.095 -2.194 541 HG3 GLU 613 HG1 GLU 613 -16.353 3.442 -0.832 542 H ILE 614 HN ILE 614 -11.815 1.723 0.060 543 HA ILE 614 HA ILE 614 -10.218 3.286 1.821 544 HB ILE 614 HB ILE 614 -9.958 0.760 1.477 545 HG12 ILE 614 HG12 ILE 614 -7.451 2.401 1.049 546 HG13 ILE 614 HG11 ILE 614 -8.231 2.130 2.601 547 HG21 ILE 614 HG21 ILE 614 -8.619 -0.055 -0.385 548 HG22 ILE 614 HG22 ILE 614 -8.568 1.568 -1.065 549 HG23 ILE 614 HG23 ILE 614 -10.095 0.708 -0.985 550 HD11 ILE 614 HD11 ILE 614 -7.065 -0.037 0.855 551 HD12 ILE 614 HD12 ILE 614 -7.770 -0.245 2.455 552 HD13 ILE 614 HD13 ILE 614 -6.280 0.673 2.264 553 H GLU 615 HN GLU 615 -8.660 4.739 1.239 554 HA GLU 615 HA GLU 615 -8.409 5.445 -1.591 555 HB2 GLU 615 HB2 GLU 615 -9.912 7.034 -0.413 556 HB3 GLU 615 HB1 GLU 615 -8.661 7.322 0.779 557 HG2 GLU 615 HG2 GLU 615 -8.696 9.166 -0.741 558 HG3 GLU 615 HG1 GLU 615 -7.225 8.242 -1.029 559 H ILE 616 HN ILE 616 -6.365 4.939 -2.022 560 HA ILE 616 HA ILE 616 -4.372 5.513 0.046 561 HB ILE 616 HB ILE 616 -4.001 3.602 -2.283 562 HG12 ILE 616 HG12 ILE 616 -3.860 1.847 -0.353 563 HG13 ILE 616 HG11 ILE 616 -4.779 3.032 0.565 564 HG21 ILE 616 HG21 ILE 616 -1.971 2.898 -1.114 565 HG22 ILE 616 HG22 ILE 616 -2.275 4.125 0.117 566 HG23 ILE 616 HG23 ILE 616 -1.944 4.609 -1.547 567 HD11 ILE 616 HD11 ILE 616 -5.622 1.733 -1.999 568 HD12 ILE 616 HD12 ILE 616 -6.542 2.948 -1.112 569 HD13 ILE 616 HD13 ILE 616 -6.224 1.370 -0.386 570 H ASP 617 HN ASP 617 -3.530 7.394 -0.372 571 HA ASP 617 HA ASP 617 -3.128 8.210 -3.135 572 HB2 ASP 617 HB2 ASP 617 -3.993 9.847 -1.432 573 HB3 ASP 617 HB1 ASP 617 -2.447 9.719 -0.599 574 H PHE 618 HN PHE 618 -1.473 7.167 -3.971 575 HA PHE 618 HA PHE 618 0.677 6.182 -2.429 576 HB2 PHE 618 HB2 PHE 618 0.130 6.191 -5.371 577 HB3 PHE 618 HB1 PHE 618 1.644 5.590 -4.708 578 HD1 PHE 618 HD1 PHE 618 -1.951 4.947 -5.061 579 HD2 PHE 618 HD2 PHE 618 1.712 3.597 -3.387 580 HE1 PHE 618 HE1 PHE 618 -2.938 2.692 -4.639 581 HE2 PHE 618 HE2 PHE 618 0.724 1.396 -2.989 582 HZ PHE 618 HZ PHE 618 -1.599 0.955 -3.621 583 H GLU 619 HN GLU 619 0.231 9.249 -3.577 584 HA GLU 619 HA GLU 619 3.063 9.643 -4.149 585 HB2 GLU 619 HB2 GLU 619 0.720 11.488 -4.467 586 HB3 GLU 619 HB1 GLU 619 2.384 11.910 -4.836 587 HG2 GLU 619 HG2 GLU 619 0.739 9.778 -6.115 588 HG3 GLU 619 HG1 GLU 619 1.209 11.350 -6.794 589 H THR 620 HN THR 620 0.520 10.933 -2.056 590 HA THR 620 HA THR 620 2.504 12.564 -0.793 591 HB THR 620 HB THR 620 -0.369 12.735 -0.052 592 HG1 THR 620 HG1 THR 620 -0.538 12.402 -2.269 593 HG21 THR 620 HG21 THR 620 0.162 15.077 -0.261 594 HG22 THR 620 HG22 THR 620 1.677 14.614 -1.051 595 HG23 THR 620 HG23 THR 620 1.457 14.274 0.679 596 H LEU 621 HN LEU 621 1.129 9.529 -0.272 597 HA LEU 621 HA LEU 621 1.025 9.542 2.579 598 HB2 LEU 621 HB2 LEU 621 1.037 7.420 0.512 599 HB3 LEU 621 HB1 LEU 621 1.512 7.001 2.154 600 HG LEU 621 HG LEU 621 -1.143 8.283 1.493 601 HD11 LEU 621 HD11 LEU 621 -0.428 5.390 1.986 602 HD12 LEU 621 HD12 LEU 621 -0.939 6.061 0.433 603 HD13 LEU 621 HD13 LEU 621 -2.061 6.028 1.797 604 HD21 LEU 621 HD21 LEU 621 -1.707 7.491 3.724 605 HD22 LEU 621 HD22 LEU 621 -0.309 8.569 3.796 606 HD23 LEU 621 HD23 LEU 621 -0.092 6.813 3.883 607 H LYS 622 HN LYS 622 2.315 8.735 4.026 608 HA LYS 622 HA LYS 622 5.058 9.426 3.741 609 HB2 LYS 622 HB2 LYS 622 3.187 9.355 5.734 610 HB3 LYS 622 HB1 LYS 622 4.095 7.902 6.086 611 HG2 LYS 622 HG2 LYS 622 5.369 10.601 5.785 612 HG3 LYS 622 HG1 LYS 622 4.735 10.019 7.309 613 HD2 LYS 622 HD2 LYS 622 6.279 8.073 7.130 614 HD3 LYS 622 HD1 LYS 622 6.977 8.805 5.688 615 HE2 LYS 622 HE2 LYS 622 6.817 10.170 8.361 616 HE3 LYS 622 HE1 LYS 622 8.216 9.256 7.817 617 HZ1 LYS 622 HZ1 LYS 622 8.717 10.805 6.232 618 HZ2 LYS 622 HZ2 LYS 622 8.171 11.785 7.485 619 HZ3 LYS 622 HZ3 LYS 622 7.172 11.460 6.168 620 HA PRO 623 HA PRO 623 6.555 5.436 2.139 621 HB2 PRO 623 HB2 PRO 623 8.924 5.503 3.771 622 HB3 PRO 623 HB1 PRO 623 8.752 5.982 2.083 623 HG2 PRO 623 HG2 PRO 623 8.657 7.639 4.542 624 HG3 PRO 623 HG1 PRO 623 9.262 8.040 2.927 625 HD2 PRO 623 HD2 PRO 623 6.973 9.058 3.755 626 HD3 PRO 623 HD1 PRO 623 7.126 8.456 2.099 627 H THR 624 HN THR 624 6.530 6.046 5.616 628 HA THR 624 HA THR 624 6.976 3.454 6.546 629 HB THR 624 HB THR 624 5.800 4.439 8.588 630 HG1 THR 624 HG1 THR 624 4.928 6.362 8.362 631 HG21 THR 624 HG21 THR 624 7.651 5.964 9.044 632 HG22 THR 624 HG22 THR 624 8.037 6.019 7.321 633 HG23 THR 624 HG23 THR 624 8.234 4.516 8.219 634 H THR 625 HN THR 625 3.987 5.281 5.943 635 HA THR 625 HA THR 625 2.239 3.218 6.686 636 HB THR 625 HB THR 625 1.758 5.640 4.956 637 HG1 THR 625 HG1 THR 625 1.962 5.286 7.764 638 HG21 THR 625 HG21 THR 625 -0.068 4.066 6.786 639 HG22 THR 625 HG22 THR 625 -0.073 3.987 5.028 640 HG23 THR 625 HG23 THR 625 -0.532 5.488 5.846 641 H LEU 626 HN LEU 626 3.290 4.580 3.543 642 HA LEU 626 HA LEU 626 1.884 2.969 1.835 643 HB2 LEU 626 HB2 LEU 626 4.612 4.165 1.564 644 HB3 LEU 626 HB1 LEU 626 3.920 3.178 0.293 645 HG LEU 626 HG LEU 626 2.576 5.617 1.373 646 HD11 LEU 626 HD11 LEU 626 3.421 6.747 -0.666 647 HD12 LEU 626 HD12 LEU 626 4.333 5.295 -1.083 648 HD13 LEU 626 HD13 LEU 626 4.758 6.218 0.355 649 HD21 LEU 626 HD21 LEU 626 1.320 5.464 -0.718 650 HD22 LEU 626 HD22 LEU 626 1.119 4.020 0.268 651 HD23 LEU 626 HD23 LEU 626 2.196 3.987 -1.130 652 H ARG 627 HN ARG 627 5.034 2.332 3.281 653 HA ARG 627 HA ARG 627 5.469 -0.108 1.955 654 HB2 ARG 627 HB2 ARG 627 7.184 1.390 3.085 655 HB3 ARG 627 HB1 ARG 627 6.642 0.695 4.602 656 HG2 ARG 627 HG2 ARG 627 8.637 -0.414 3.835 657 HG3 ARG 627 HG1 ARG 627 7.268 -1.531 3.780 658 HD2 ARG 627 HD2 ARG 627 7.018 -1.215 1.411 659 HD3 ARG 627 HD1 ARG 627 8.234 0.061 1.413 660 HE ARG 627 HE ARG 627 9.330 -2.325 2.386 661 HH11 ARG 627 HH11 ARG 627 8.131 -0.881 -0.620 662 HH12 ARG 627 HH12 ARG 627 9.147 -1.737 -1.655 663 HH21 ARG 627 HH21 ARG 627 10.778 -3.549 0.961 664 HH22 ARG 627 HH22 ARG 627 10.696 -3.312 -0.721 665 H GLU 628 HN GLU 628 3.910 0.782 4.973 666 HA GLU 628 HA GLU 628 3.857 -1.767 6.172 667 HB2 GLU 628 HB2 GLU 628 3.394 0.538 7.216 668 HB3 GLU 628 HB1 GLU 628 1.778 0.385 6.553 669 HG2 GLU 628 HG2 GLU 628 1.762 -0.282 8.854 670 HG3 GLU 628 HG1 GLU 628 1.485 -1.701 7.840 671 H LEU 629 HN LEU 629 1.770 -0.087 3.934 672 HA LEU 629 HA LEU 629 -0.470 -1.798 3.795 673 HB2 LEU 629 HB2 LEU 629 0.805 -0.441 1.423 674 HB3 LEU 629 HB1 LEU 629 -0.877 -0.861 1.632 675 HG LEU 629 HG LEU 629 0.607 1.327 3.072 676 HD11 LEU 629 HD11 LEU 629 -0.810 2.819 1.779 677 HD12 LEU 629 HD12 LEU 629 -1.505 1.433 0.941 678 HD13 LEU 629 HD13 LEU 629 0.202 1.822 0.736 679 HD21 LEU 629 HD21 LEU 629 -1.549 1.980 3.928 680 HD22 LEU 629 HD22 LEU 629 -1.121 0.353 4.472 681 HD23 LEU 629 HD23 LEU 629 -2.300 0.573 3.172 682 H GLU 630 HN GLU 630 2.489 -1.680 1.860 683 HA GLU 630 HA GLU 630 1.970 -3.886 0.243 684 HB2 GLU 630 HB2 GLU 630 3.721 -2.163 -0.190 685 HB3 GLU 630 HB1 GLU 630 4.696 -2.903 1.076 686 HG2 GLU 630 HG2 GLU 630 4.546 -5.051 -0.204 687 HG3 GLU 630 HG1 GLU 630 3.811 -4.135 -1.505 688 H ARG 631 HN ARG 631 3.695 -3.584 3.263 689 HA ARG 631 HA ARG 631 4.716 -6.226 3.459 690 HB2 ARG 631 HB2 ARG 631 3.956 -4.341 5.692 691 HB3 ARG 631 HB1 ARG 631 4.920 -5.793 5.887 692 HG2 ARG 631 HG2 ARG 631 6.673 -4.828 4.519 693 HG3 ARG 631 HG1 ARG 631 5.682 -3.392 4.242 694 HD2 ARG 631 HD2 ARG 631 7.270 -2.908 5.980 695 HD3 ARG 631 HD1 ARG 631 5.658 -3.001 6.689 696 HE ARG 631 HE ARG 631 7.267 -5.402 6.727 697 HH11 ARG 631 HH11 ARG 631 5.795 -2.763 8.591 698 HH12 ARG 631 HH12 ARG 631 6.415 -3.270 10.081 699 HH21 ARG 631 HH21 ARG 631 8.075 -6.149 8.814 700 HH22 ARG 631 HH22 ARG 631 7.738 -5.238 10.218 701 H TYR 632 HN TYR 632 1.627 -4.896 4.177 702 HA TYR 632 HA TYR 632 0.798 -7.226 5.638 703 HB2 TYR 632 HB2 TYR 632 -0.131 -5.218 6.384 704 HB3 TYR 632 HB1 TYR 632 -0.715 -4.755 4.779 705 HD1 TYR 632 HD1 TYR 632 -2.795 -5.504 4.023 706 HD2 TYR 632 HD2 TYR 632 -1.161 -7.154 7.560 707 HE1 TYR 632 HE1 TYR 632 -4.891 -6.684 4.407 708 HE2 TYR 632 HE2 TYR 632 -3.262 -8.352 8.002 709 HH TYR 632 HH TYR 632 -5.688 -8.162 7.382 710 H VAL 633 HN VAL 633 -0.082 -5.726 2.552 711 HA VAL 633 HA VAL 633 -1.839 -7.701 1.739 712 HB VAL 633 HB VAL 633 -1.629 -6.882 -0.540 713 HG11 VAL 633 HG11 VAL 633 -2.089 -4.509 -0.225 714 HG12 VAL 633 HG12 VAL 633 -1.420 -4.596 1.398 715 HG13 VAL 633 HG13 VAL 633 -2.897 -5.480 1.010 716 HG21 VAL 633 HG21 VAL 633 0.807 -5.405 0.425 717 HG22 VAL 633 HG22 VAL 633 0.038 -5.133 -1.142 718 HG23 VAL 633 HG23 VAL 633 0.767 -6.701 -0.769 719 H LYS 634 HN LYS 634 1.665 -7.555 1.366 720 HA LYS 634 HA LYS 634 1.847 -9.827 -0.277 721 HB2 LYS 634 HB2 LYS 634 4.257 -9.697 0.062 722 HB3 LYS 634 HB1 LYS 634 3.597 -8.062 0.043 723 HG2 LYS 634 HG2 LYS 634 3.779 -7.902 2.420 724 HG3 LYS 634 HG1 LYS 634 4.338 -9.567 2.526 725 HD2 LYS 634 HD2 LYS 634 6.223 -8.007 2.679 726 HD3 LYS 634 HD1 LYS 634 6.342 -8.967 1.202 727 HE2 LYS 634 HE2 LYS 634 5.450 -7.110 -0.097 728 HE3 LYS 634 HE1 LYS 634 5.209 -6.175 1.373 729 HZ1 LYS 634 HZ1 LYS 634 7.652 -6.157 1.666 730 HZ2 LYS 634 HZ2 LYS 634 7.152 -5.448 0.235 731 HZ3 LYS 634 HZ3 LYS 634 7.821 -6.984 0.196 732 H SER 635 HN SER 635 1.742 -9.413 3.223 733 HA SER 635 HA SER 635 2.569 -12.046 3.828 734 HB2 SER 635 HB2 SER 635 1.006 -10.036 5.458 735 HB3 SER 635 HB1 SER 635 1.693 -11.535 6.095 736 HG SER 635 HG SER 635 2.946 -9.170 5.322 737 H CYS 636 HN CYS 636 -0.526 -10.521 3.304 738 HA CYS 636 HA CYS 636 -2.008 -12.819 4.117 739 HB2 CYS 636 HB2 CYS 636 -2.879 -10.519 4.338 740 HB3 CYS 636 HB1 CYS 636 -2.908 -10.381 2.589 741 HG CYS 636 HG CYS 636 -4.611 -12.890 2.685 742 H LEU 637 HN LEU 637 -0.921 -11.455 1.057 743 HA LEU 637 HA LEU 637 -2.432 -13.291 -0.488 744 HB2 LEU 637 HB2 LEU 637 -0.264 -11.376 -1.108 745 HB3 LEU 637 HB1 LEU 637 -0.925 -12.422 -2.360 746 HG LEU 637 HG LEU 637 -2.458 -10.386 -0.736 747 HD11 LEU 637 HD11 LEU 637 -1.591 -10.387 -3.607 748 HD12 LEU 637 HD12 LEU 637 -0.938 -9.381 -2.311 749 HD13 LEU 637 HD13 LEU 637 -2.609 -9.175 -2.829 750 HD21 LEU 637 HD21 LEU 637 -3.887 -12.255 -1.347 751 HD22 LEU 637 HD22 LEU 637 -3.325 -12.154 -3.016 752 HD23 LEU 637 HD23 LEU 637 -4.275 -10.837 -2.324 753 H GLN 638 HN GLN 638 0.464 -13.645 1.171 754 HA GLN 638 HA GLN 638 1.371 -15.834 -0.460 755 HB2 GLN 638 HB2 GLN 638 2.149 -14.823 2.207 756 HB3 GLN 638 HB1 GLN 638 2.849 -16.303 1.562 757 HG2 GLN 638 HG2 GLN 638 3.725 -15.004 -0.342 758 HG3 GLN 638 HG1 GLN 638 3.044 -13.540 0.370 759 HE21 GLN 638 HE21 GLN 638 5.034 -12.605 0.544 760 HE22 GLN 638 HE22 GLN 638 6.212 -13.073 1.717 761 H LYS 639 HN LYS 639 -1.017 -15.322 1.790 762 HA LYS 639 HA LYS 639 -2.376 -16.515 3.049 763 HB2 LYS 639 HB2 LYS 639 -2.933 -17.481 0.845 764 HB3 LYS 639 HB1 LYS 639 -1.713 -18.719 1.077 765 HG2 LYS 639 HG2 LYS 639 -3.921 -19.609 1.479 766 HG3 LYS 639 HG1 LYS 639 -2.987 -19.598 2.976 767 HD2 LYS 639 HD2 LYS 639 -4.140 -17.598 3.717 768 HD3 LYS 639 HD1 LYS 639 -5.013 -17.502 2.186 769 HE2 LYS 639 HE2 LYS 639 -5.217 -19.716 4.234 770 HE3 LYS 639 HE1 LYS 639 -6.415 -18.460 3.936 771 HZ1 LYS 639 HZ1 LYS 639 -5.593 -20.561 1.989 772 HZ2 LYS 639 HZ2 LYS 639 -6.657 -19.318 1.677 773 HZ3 LYS 639 HZ3 LYS 639 -7.065 -20.470 2.807 774 H LYS 640 HN LYS 640 -1.037 -16.374 4.873 775 HA LYS 640 HA LYS 640 0.283 -18.890 5.517 776 HB2 LYS 640 HB2 LYS 640 1.182 -16.122 6.334 777 HB3 LYS 640 HB1 LYS 640 1.890 -17.623 6.902 778 HG2 LYS 640 HG2 LYS 640 2.515 -18.148 4.553 779 HG3 LYS 640 HG1 LYS 640 1.937 -16.548 4.084 780 HD2 LYS 640 HD2 LYS 640 4.167 -17.153 6.040 781 HD3 LYS 640 HD1 LYS 640 4.369 -16.555 4.397 782 HE2 LYS 640 HE2 LYS 640 3.168 -14.497 5.018 783 HE3 LYS 640 HE1 LYS 640 2.994 -15.112 6.660 784 HZ1 LYS 640 HZ1 LYS 640 4.826 -13.604 6.535 785 HZ2 LYS 640 HZ2 LYS 640 5.535 -14.440 5.285 786 HZ3 LYS 640 HZ3 LYS 640 5.457 -15.141 6.818 787 H GLN 641 HN GLN 641 0.605 -19.040 7.918 788 HA GLN 641 HA GLN 641 -1.237 -17.832 9.668 789 HB2 GLN 641 HB2 GLN 641 -2.549 -19.853 10.133 790 HB3 GLN 641 HB1 GLN 641 -2.785 -19.374 8.455 791 HG2 GLN 641 HG2 GLN 641 -1.245 -21.086 7.712 792 HG3 GLN 641 HG1 GLN 641 -0.873 -21.507 9.379 793 HE21 GLN 641 HE21 GLN 641 -2.368 -22.626 10.577 794 HE22 GLN 641 HE22 GLN 641 -3.673 -23.483 9.852 795 H ARG 642 HN ARG 642 -1.060 -19.259 11.721 796 HA ARG 642 HA ARG 642 1.684 -19.974 12.084 797 HB2 ARG 642 HB2 ARG 642 0.989 -20.459 14.442 798 HB3 ARG 642 HB1 ARG 642 0.604 -18.831 13.913 799 HG2 ARG 642 HG2 ARG 642 -1.716 -19.495 13.549 800 HG3 ARG 642 HG1 ARG 642 -1.323 -21.129 14.080 801 HD2 ARG 642 HD2 ARG 642 -0.727 -20.297 16.274 802 HD3 ARG 642 HD1 ARG 642 -1.013 -18.637 15.751 803 HE ARG 642 HE ARG 642 -3.310 -20.117 15.269 804 HH11 ARG 642 HH11 ARG 642 -1.465 -19.006 18.071 805 HH12 ARG 642 HH12 ARG 642 -2.810 -18.839 19.097 806 HH21 ARG 642 HH21 ARG 642 -5.183 -19.881 16.672 807 HH22 ARG 642 HH22 ARG 642 -4.974 -19.337 18.267 808 H LYS 643 HN LYS 643 2.502 -21.937 12.080 809 HA LYS 643 HA LYS 643 0.745 -24.144 11.401 810 HB2 LYS 643 HB2 LYS 643 3.698 -23.673 11.096 811 HB3 LYS 643 HB1 LYS 643 3.071 -25.310 11.059 812 HG2 LYS 643 HG2 LYS 643 3.298 -24.548 8.813 813 HG3 LYS 643 HG1 LYS 643 1.584 -24.639 9.198 814 HD2 LYS 643 HD2 LYS 643 1.673 -22.164 9.650 815 HD3 LYS 643 HD1 LYS 643 3.305 -22.180 8.978 816 HE2 LYS 643 HE2 LYS 643 0.778 -23.020 7.557 817 HE3 LYS 643 HE1 LYS 643 1.674 -21.528 7.292 818 HZ1 LYS 643 HZ1 LYS 643 2.169 -23.171 5.597 819 HZ2 LYS 643 HZ2 LYS 643 2.675 -24.280 6.746 820 HZ3 LYS 643 HZ3 LYS 643 3.549 -22.862 6.508 821 HA PRO 644 HA PRO 644 1.178 -26.158 15.324 822 HB2 PRO 644 HB2 PRO 644 1.415 -28.789 14.524 823 HB3 PRO 644 HB1 PRO 644 -0.123 -27.934 14.642 824 HG2 PRO 644 HG2 PRO 644 1.544 -28.516 12.239 825 HG3 PRO 644 HG1 PRO 644 -0.218 -28.499 12.405 826 HD2 PRO 644 HD2 PRO 644 1.172 -26.478 11.251 827 HD3 PRO 644 HD1 PRO 644 -0.345 -26.217 12.132 Start of MODEL 16 1 H1 LYS 290 HT1 LYS 290 -4.242 6.051 -12.536 2 H2 LYS 290 HT2 LYS 290 -3.392 5.038 -11.560 3 H3 LYS 290 HT3 LYS 290 -5.081 4.904 -11.605 4 HA LYS 290 HA LYS 290 -4.176 3.141 -12.927 5 HB2 LYS 290 HB2 LYS 290 -5.025 5.452 -14.696 6 HB3 LYS 290 HB1 LYS 290 -4.992 3.768 -15.175 7 HG2 LYS 290 HG2 LYS 290 -6.729 4.800 -12.944 8 HG3 LYS 290 HG1 LYS 290 -7.250 4.743 -14.624 9 HD2 LYS 290 HD2 LYS 290 -6.826 2.300 -14.626 10 HD3 LYS 290 HD1 LYS 290 -6.430 2.398 -12.908 11 HE2 LYS 290 HE2 LYS 290 -8.657 3.168 -12.384 12 HE3 LYS 290 HE1 LYS 290 -9.058 3.291 -14.091 13 HZ1 LYS 290 HZ1 LYS 290 -9.969 1.319 -13.021 14 HZ2 LYS 290 HZ2 LYS 290 -8.431 0.724 -12.701 15 HZ3 LYS 290 HZ3 LYS 290 -8.969 0.925 -14.298 16 H VAL 291 HN VAL 291 -2.588 2.454 -14.430 17 HA VAL 291 HA VAL 291 -0.682 2.359 -15.574 18 HB VAL 291 HB VAL 291 -0.923 5.366 -15.973 19 HG11 VAL 291 HG11 VAL 291 1.338 4.585 -16.430 20 HG12 VAL 291 HG12 VAL 291 0.531 5.030 -17.931 21 HG13 VAL 291 HG13 VAL 291 0.710 3.329 -17.499 22 HG21 VAL 291 HG21 VAL 291 -2.882 4.181 -16.833 23 HG22 VAL 291 HG22 VAL 291 -1.840 3.098 -17.751 24 HG23 VAL 291 HG23 VAL 291 -1.908 4.811 -18.160 25 H ALA 292 HN ALA 292 -0.150 5.520 -14.043 26 HA ALA 292 HA ALA 292 1.976 4.277 -12.503 27 HB1 ALA 292 HB1 ALA 292 3.527 6.122 -12.892 28 HB2 ALA 292 HB2 ALA 292 2.368 6.920 -13.952 29 HB3 ALA 292 HB3 ALA 292 3.062 5.373 -14.412 30 HA PRO 293 HA PRO 293 0.284 8.000 -9.880 31 HB2 PRO 293 HB2 PRO 293 -2.236 8.616 -11.319 32 HB3 PRO 293 HB1 PRO 293 -1.090 9.729 -10.562 33 HG2 PRO 293 HG2 PRO 293 -1.282 9.557 -13.213 34 HG3 PRO 293 HG1 PRO 293 0.289 9.781 -12.421 35 HD2 PRO 293 HD2 PRO 293 -0.917 7.299 -13.565 36 HD3 PRO 293 HD1 PRO 293 0.751 7.897 -13.662 37 H LEU 294 HN LEU 294 -0.567 6.838 -8.254 38 HA LEU 294 HA LEU 294 -2.614 4.893 -8.989 39 HB2 LEU 294 HB2 LEU 294 -0.342 4.686 -7.074 40 HB3 LEU 294 HB1 LEU 294 -1.661 3.532 -7.128 41 HG LEU 294 HG LEU 294 -0.141 4.100 -9.641 42 HD11 LEU 294 HD11 LEU 294 1.546 3.709 -7.912 43 HD12 LEU 294 HD12 LEU 294 1.430 2.365 -9.043 44 HD13 LEU 294 HD13 LEU 294 0.706 2.231 -7.443 45 HD21 LEU 294 HD21 LEU 294 -2.177 2.692 -9.647 46 HD22 LEU 294 HD22 LEU 294 -1.382 1.602 -8.496 47 HD23 LEU 294 HD23 LEU 294 -0.726 1.810 -10.112 48 H LYS 295 HN LYS 295 -4.451 5.193 -8.226 49 HA LYS 295 HA LYS 295 -4.962 5.675 -5.457 50 HB2 LYS 295 HB2 LYS 295 -6.644 7.454 -5.957 51 HB3 LYS 295 HB1 LYS 295 -5.005 7.995 -6.268 52 HG2 LYS 295 HG2 LYS 295 -5.317 7.785 -8.636 53 HG3 LYS 295 HG1 LYS 295 -6.865 6.974 -8.405 54 HD2 LYS 295 HD2 LYS 295 -7.785 9.005 -7.413 55 HD3 LYS 295 HD1 LYS 295 -6.237 9.822 -7.634 56 HE2 LYS 295 HE2 LYS 295 -6.416 9.674 -10.008 57 HE3 LYS 295 HE1 LYS 295 -7.824 8.623 -9.903 58 HZ1 LYS 295 HZ1 LYS 295 -8.411 10.911 -10.441 59 HZ2 LYS 295 HZ2 LYS 295 -7.740 11.453 -8.996 60 HZ3 LYS 295 HZ3 LYS 295 -9.086 10.441 -8.981 61 H ILE 296 HN ILE 296 -6.980 4.729 -4.960 62 HA ILE 296 HA ILE 296 -8.385 3.639 -7.265 63 HB ILE 296 HB ILE 296 -6.889 1.847 -6.758 64 HG12 ILE 296 HG12 ILE 296 -9.656 1.136 -5.736 65 HG13 ILE 296 HG11 ILE 296 -9.167 1.190 -7.424 66 HG21 ILE 296 HG21 ILE 296 -6.284 2.359 -4.493 67 HG22 ILE 296 HG22 ILE 296 -6.824 0.680 -4.597 68 HG23 ILE 296 HG23 ILE 296 -7.891 1.909 -3.923 69 HD11 ILE 296 HD11 ILE 296 -7.612 -0.662 -7.020 70 HD12 ILE 296 HD12 ILE 296 -9.272 -1.093 -6.611 71 HD13 ILE 296 HD13 ILE 296 -8.122 -0.708 -5.331 72 H LYS 297 HN LYS 297 -8.588 3.884 -3.714 73 HA LYS 297 HA LYS 297 -10.314 4.304 -2.304 74 HB2 LYS 297 HB2 LYS 297 -11.659 5.098 -4.862 75 HB3 LYS 297 HB1 LYS 297 -12.673 4.793 -3.472 76 HG2 LYS 297 HG2 LYS 297 -12.189 7.177 -3.808 77 HG3 LYS 297 HG1 LYS 297 -11.618 6.586 -2.258 78 HD2 LYS 297 HD2 LYS 297 -9.344 6.612 -3.017 79 HD3 LYS 297 HD1 LYS 297 -9.855 6.932 -4.684 80 HE2 LYS 297 HE2 LYS 297 -10.656 9.094 -4.112 81 HE3 LYS 297 HE1 LYS 297 -10.503 8.771 -2.390 82 HZ1 LYS 297 HZ1 LYS 297 -8.785 10.220 -3.413 83 HZ2 LYS 297 HZ2 LYS 297 -8.100 8.913 -4.181 84 HZ3 LYS 297 HZ3 LYS 297 -8.250 8.975 -2.472 85 H LEU 298 HN LEU 298 -12.330 3.320 -1.497 86 HA LEU 298 HA LEU 298 -12.726 0.637 -2.681 87 HB2 LEU 298 HB2 LEU 298 -11.880 1.255 0.024 88 HB3 LEU 298 HB1 LEU 298 -13.458 0.549 0.052 89 HG LEU 298 HG LEU 298 -11.681 -1.097 0.367 90 HD11 LEU 298 HD11 LEU 298 -13.810 -1.830 -0.465 91 HD12 LEU 298 HD12 LEU 298 -12.558 -2.736 -1.323 92 HD13 LEU 298 HD13 LEU 298 -13.373 -1.391 -2.109 93 HD21 LEU 298 HD21 LEU 298 -9.946 -0.170 -1.108 94 HD22 LEU 298 HD22 LEU 298 -10.943 -0.501 -2.521 95 HD23 LEU 298 HD23 LEU 298 -10.309 -1.827 -1.562 96 H GLY 299 HN GLY 299 -14.222 2.803 -3.408 97 HA2 GLY 299 HA2 GLY 299 -16.714 2.750 -1.967 98 HA3 GLY 299 HA1 GLY 299 -16.403 3.599 -3.480 99 H GLY 300 HN GLY 300 -16.824 0.390 -2.137 100 HA2 GLY 300 HA2 GLY 300 -18.471 -1.130 -3.045 101 HA3 GLY 300 HA1 GLY 300 -18.119 -0.463 -4.643 102 H PHE 301 HN PHE 301 -17.712 -2.677 -5.264 103 HA PHE 301 HA PHE 301 -16.370 -4.416 -5.823 104 HB2 PHE 301 HB2 PHE 301 -14.201 -2.363 -5.349 105 HB3 PHE 301 HB1 PHE 301 -13.954 -3.907 -6.156 106 HD1 PHE 301 HD1 PHE 301 -14.900 -4.305 -8.377 107 HD2 PHE 301 HD2 PHE 301 -15.285 -0.533 -6.450 108 HE1 PHE 301 HE1 PHE 301 -15.514 -3.273 -10.525 109 HE2 PHE 301 HE2 PHE 301 -15.901 0.507 -8.590 110 HZ PHE 301 HZ PHE 301 -16.015 -0.865 -10.634 111 H ALA 557 HN ALA 557 22.191 20.340 -3.007 112 HA ALA 557 HA ALA 557 21.426 22.681 -1.410 113 HB1 ALA 557 HB1 ALA 557 21.294 23.027 -3.830 114 HB2 ALA 557 HB2 ALA 557 19.685 23.029 -3.107 115 HB3 ALA 557 HB3 ALA 557 20.258 21.607 -3.978 116 H SER 558 HN SER 558 21.448 19.636 -1.009 117 HA SER 558 HA SER 558 18.666 19.158 -0.496 118 HB2 SER 558 HB2 SER 558 19.780 16.933 0.391 119 HB3 SER 558 HB1 SER 558 19.598 17.232 -1.342 120 HG SER 558 HG SER 558 21.897 17.442 0.285 121 H ALA 559 HN ALA 559 18.229 20.664 1.058 122 HA ALA 559 HA ALA 559 19.612 20.378 3.606 123 HB1 ALA 559 HB1 ALA 559 18.573 22.490 4.236 124 HB2 ALA 559 HB2 ALA 559 17.675 22.515 2.718 125 HB3 ALA 559 HB3 ALA 559 19.430 22.655 2.703 126 H SER 560 HN SER 560 18.739 18.550 4.403 127 HA SER 560 HA SER 560 15.885 18.304 4.614 128 HB2 SER 560 HB2 SER 560 18.135 16.537 5.596 129 HB3 SER 560 HB1 SER 560 16.421 16.160 5.765 130 HG SER 560 HG SER 560 17.093 15.155 4.006 131 H TYR 561 HN TYR 561 14.867 19.375 6.126 132 HA TYR 561 HA TYR 561 16.208 20.317 8.524 133 HB2 TYR 561 HB2 TYR 561 13.277 20.517 7.790 134 HB3 TYR 561 HB1 TYR 561 14.132 21.482 8.990 135 HD1 TYR 561 HD1 TYR 561 16.582 22.127 7.472 136 HD2 TYR 561 HD2 TYR 561 12.530 22.116 6.274 137 HE1 TYR 561 HE1 TYR 561 17.106 23.806 5.753 138 HE2 TYR 561 HE2 TYR 561 13.024 23.791 4.539 139 HH TYR 561 HH TYR 561 14.727 25.535 4.151 140 H ASP 562 HN ASP 562 14.531 17.755 7.439 141 HA ASP 562 HA ASP 562 14.575 16.438 10.017 142 HB2 ASP 562 HB2 ASP 562 12.353 15.481 9.721 143 HB3 ASP 562 HB1 ASP 562 12.214 17.230 9.661 144 H SER 563 HN SER 563 15.215 14.343 9.749 145 HA SER 563 HA SER 563 15.222 13.285 7.036 146 HB2 SER 563 HB2 SER 563 17.472 12.307 7.416 147 HB3 SER 563 HB1 SER 563 17.518 14.067 7.477 148 HG SER 563 HG SER 563 17.568 13.952 9.714 149 H GLU 564 HN GLU 564 15.282 10.905 7.040 150 HA GLU 564 HA GLU 564 14.533 9.807 9.578 151 HB2 GLU 564 HB2 GLU 564 12.539 8.723 8.582 152 HB3 GLU 564 HB1 GLU 564 12.407 10.467 8.703 153 HG2 GLU 564 HG2 GLU 564 13.002 10.617 6.296 154 HG3 GLU 564 HG1 GLU 564 12.948 8.854 6.221 155 H GLU 565 HN GLU 565 14.487 7.476 9.524 156 HA GLU 565 HA GLU 565 16.733 6.509 8.087 157 HB2 GLU 565 HB2 GLU 565 16.275 4.377 9.268 158 HB3 GLU 565 HB1 GLU 565 16.351 5.749 10.358 159 HG2 GLU 565 HG2 GLU 565 13.906 5.788 10.482 160 HG3 GLU 565 HG1 GLU 565 13.831 4.426 9.366 161 H GLU 566 HN GLU 566 16.733 5.595 6.127 162 HA GLU 566 HA GLU 566 14.208 5.271 4.857 163 HB2 GLU 566 HB2 GLU 566 15.523 4.734 2.756 164 HB3 GLU 566 HB1 GLU 566 15.719 6.339 3.431 165 HG2 GLU 566 HG2 GLU 566 17.845 5.653 4.413 166 HG3 GLU 566 HG1 GLU 566 17.639 4.047 3.716 167 H GLU 567 HN GLU 567 13.894 3.744 6.520 168 HA GLU 567 HA GLU 567 14.022 0.969 5.464 169 HB2 GLU 567 HB2 GLU 567 15.026 1.422 7.754 170 HB3 GLU 567 HB1 GLU 567 13.429 1.936 8.274 171 HG2 GLU 567 HG2 GLU 567 13.796 -0.337 8.982 172 HG3 GLU 567 HG1 GLU 567 12.578 -0.257 7.695 173 H GLU 568 HN GLU 568 12.132 3.039 7.449 174 HA GLU 568 HA GLU 568 9.684 2.395 5.922 175 HB2 GLU 568 HB2 GLU 568 9.968 3.822 8.574 176 HB3 GLU 568 HB1 GLU 568 8.473 3.389 7.766 177 HG2 GLU 568 HG2 GLU 568 10.480 1.437 8.908 178 HG3 GLU 568 HG1 GLU 568 8.958 1.945 9.645 179 H GLY 569 HN GLY 569 11.978 4.167 5.333 180 HA2 GLY 569 HA2 GLY 569 10.524 6.653 4.816 181 HA3 GLY 569 HA1 GLY 569 12.080 6.739 5.638 182 H LEU 570 HN LEU 570 11.272 4.403 3.235 183 HA LEU 570 HA LEU 570 13.399 5.463 1.578 184 HB2 LEU 570 HB2 LEU 570 13.404 3.207 0.486 185 HB3 LEU 570 HB1 LEU 570 13.827 3.187 2.178 186 HG LEU 570 HG LEU 570 11.409 2.409 2.599 187 HD11 LEU 570 HD11 LEU 570 11.522 1.824 -0.351 188 HD12 LEU 570 HD12 LEU 570 10.441 2.966 0.446 189 HD13 LEU 570 HD13 LEU 570 10.298 1.240 0.777 190 HD21 LEU 570 HD21 LEU 570 11.961 0.082 2.079 191 HD22 LEU 570 HD22 LEU 570 13.295 0.946 2.835 192 HD23 LEU 570 HD23 LEU 570 13.319 0.637 1.098 193 HA PRO 571 HA PRO 571 10.379 6.789 -1.373 194 HB2 PRO 571 HB2 PRO 571 12.292 6.319 -3.516 195 HB3 PRO 571 HB1 PRO 571 11.608 7.846 -2.944 196 HG2 PRO 571 HG2 PRO 571 14.205 7.192 -2.543 197 HG3 PRO 571 HG1 PRO 571 13.280 8.145 -1.368 198 HD2 PRO 571 HD2 PRO 571 13.980 5.239 -1.317 199 HD3 PRO 571 HD1 PRO 571 13.977 6.434 0.001 200 H MET 572 HN MET 572 8.826 5.675 -2.242 201 HA MET 572 HA MET 572 9.242 2.930 -3.185 202 HB2 MET 572 HB2 MET 572 6.705 4.527 -2.729 203 HB3 MET 572 HB1 MET 572 6.752 2.877 -3.327 204 HG2 MET 572 HG2 MET 572 7.886 3.702 -0.668 205 HG3 MET 572 HG1 MET 572 6.228 3.148 -0.884 206 HE1 MET 572 HE1 MET 572 6.443 0.809 -3.007 207 HE2 MET 572 HE2 MET 572 5.546 0.692 -1.497 208 HE3 MET 572 HE3 MET 572 6.686 -0.578 -1.942 209 H SER 573 HN SER 573 9.324 2.460 -5.280 210 HA SER 573 HA SER 573 9.290 4.633 -7.184 211 HB2 SER 573 HB2 SER 573 9.633 1.687 -7.719 212 HB3 SER 573 HB1 SER 573 10.219 3.046 -8.669 213 HG SER 573 HG SER 573 11.090 2.259 -6.089 214 H TYR 574 HN TYR 574 8.122 4.256 -9.280 215 HA TYR 574 HA TYR 574 5.361 4.168 -8.749 216 HB2 TYR 574 HB2 TYR 574 6.735 3.949 -11.451 217 HB3 TYR 574 HB1 TYR 574 5.051 4.347 -11.179 218 HD1 TYR 574 HD1 TYR 574 6.414 6.118 -12.885 219 HD2 TYR 574 HD2 TYR 574 6.498 6.093 -8.635 220 HE1 TYR 574 HE1 TYR 574 7.019 8.502 -12.879 221 HE2 TYR 574 HE2 TYR 574 7.098 8.460 -8.617 222 HH TYR 574 HH TYR 574 8.117 10.094 -10.053 223 H ASP 575 HN ASP 575 7.650 1.848 -9.968 224 HA ASP 575 HA ASP 575 5.704 -0.083 -10.720 225 HB2 ASP 575 HB2 ASP 575 7.510 -1.615 -11.084 226 HB3 ASP 575 HB1 ASP 575 8.045 -0.040 -11.638 227 H GLU 576 HN GLU 576 7.645 0.395 -7.807 228 HA GLU 576 HA GLU 576 6.913 -1.904 -6.446 229 HB2 GLU 576 HB2 GLU 576 7.595 0.807 -5.289 230 HB3 GLU 576 HB1 GLU 576 7.623 -0.724 -4.420 231 HG2 GLU 576 HG2 GLU 576 9.328 -1.563 -5.950 232 HG3 GLU 576 HG1 GLU 576 9.331 -0.034 -6.792 233 H LYS 577 HN LYS 577 5.530 1.323 -6.355 234 HA LYS 577 HA LYS 577 3.364 0.833 -4.645 235 HB2 LYS 577 HB2 LYS 577 3.678 2.773 -6.889 236 HB3 LYS 577 HB1 LYS 577 2.417 2.892 -5.668 237 HG2 LYS 577 HG2 LYS 577 4.173 3.165 -3.921 238 HG3 LYS 577 HG1 LYS 577 5.395 3.120 -5.187 239 HD2 LYS 577 HD2 LYS 577 3.203 5.201 -4.973 240 HD3 LYS 577 HD1 LYS 577 4.868 5.427 -4.448 241 HE2 LYS 577 HE2 LYS 577 5.625 5.109 -6.732 242 HE3 LYS 577 HE1 LYS 577 3.964 4.838 -7.265 243 HZ1 LYS 577 HZ1 LYS 577 4.670 7.119 -7.703 244 HZ2 LYS 577 HZ2 LYS 577 4.965 7.375 -6.065 245 HZ3 LYS 577 HZ3 LYS 577 3.409 7.119 -6.610 246 H ARG 578 HN ARG 578 3.670 0.666 -8.154 247 HA ARG 578 HA ARG 578 1.027 0.150 -8.866 248 HB2 ARG 578 HB2 ARG 578 2.782 0.686 -10.500 249 HB3 ARG 578 HB1 ARG 578 3.562 -0.849 -10.178 250 HG2 ARG 578 HG2 ARG 578 2.353 -0.900 -12.282 251 HG3 ARG 578 HG1 ARG 578 1.649 -2.029 -11.127 252 HD2 ARG 578 HD2 ARG 578 -0.120 -0.434 -10.620 253 HD3 ARG 578 HD1 ARG 578 0.597 0.734 -11.735 254 HE ARG 578 HE ARG 578 0.238 -1.182 -13.411 255 HH11 ARG 578 HH11 ARG 578 -2.028 -0.366 -10.784 256 HH12 ARG 578 HH12 ARG 578 -3.400 -0.893 -11.650 257 HH21 ARG 578 HH21 ARG 578 -1.611 -1.864 -14.543 258 HH22 ARG 578 HH22 ARG 578 -3.162 -1.769 -13.841 259 H GLN 579 HN GLN 579 3.618 -2.147 -8.178 260 HA GLN 579 HA GLN 579 2.109 -4.516 -8.451 261 HB2 GLN 579 HB2 GLN 579 4.684 -3.994 -8.386 262 HB3 GLN 579 HB1 GLN 579 4.492 -4.115 -6.655 263 HG2 GLN 579 HG2 GLN 579 3.831 -6.299 -8.596 264 HG3 GLN 579 HG1 GLN 579 5.377 -6.139 -7.764 265 HE21 GLN 579 HE21 GLN 579 2.078 -7.130 -7.534 266 HE22 GLN 579 HE22 GLN 579 2.154 -7.682 -5.905 267 H LEU 580 HN LEU 580 2.816 -2.431 -5.721 268 HA LEU 580 HA LEU 580 1.675 -3.886 -3.644 269 HB2 LEU 580 HB2 LEU 580 3.084 -1.754 -3.656 270 HB3 LEU 580 HB1 LEU 580 1.610 -0.894 -3.993 271 HG LEU 580 HG LEU 580 2.147 -2.477 -1.482 272 HD11 LEU 580 HD11 LEU 580 2.487 -0.273 -0.435 273 HD12 LEU 580 HD12 LEU 580 2.361 0.487 -2.027 274 HD13 LEU 580 HD13 LEU 580 3.670 -0.620 -1.693 275 HD21 LEU 580 HD21 LEU 580 -0.053 -0.467 -2.099 276 HD22 LEU 580 HD22 LEU 580 0.211 -1.275 -0.557 277 HD23 LEU 580 HD23 LEU 580 -0.253 -2.208 -1.972 278 H SER 581 HN SER 581 0.182 -1.613 -5.968 279 HA SER 581 HA SER 581 -2.393 -1.633 -4.840 280 HB2 SER 581 HB2 SER 581 -1.549 0.123 -6.387 281 HB3 SER 581 HB1 SER 581 -1.548 -1.053 -7.696 282 HG SER 581 HG SER 581 -3.940 -0.961 -6.430 283 H LEU 582 HN LEU 582 -0.715 -3.803 -6.974 284 HA LEU 582 HA LEU 582 -3.034 -5.159 -8.021 285 HB2 LEU 582 HB2 LEU 582 -0.169 -6.071 -7.876 286 HB3 LEU 582 HB1 LEU 582 -1.414 -6.762 -8.887 287 HG LEU 582 HG LEU 582 -0.224 -4.013 -9.155 288 HD11 LEU 582 HD11 LEU 582 1.282 -5.813 -9.843 289 HD12 LEU 582 HD12 LEU 582 0.730 -4.873 -11.229 290 HD13 LEU 582 HD13 LEU 582 0.030 -6.461 -10.900 291 HD21 LEU 582 HD21 LEU 582 -1.522 -3.874 -11.249 292 HD22 LEU 582 HD22 LEU 582 -2.555 -3.978 -9.828 293 HD23 LEU 582 HD23 LEU 582 -2.308 -5.401 -10.845 294 H ASP 583 HN ASP 583 -0.734 -5.832 -5.432 295 HA ASP 583 HA ASP 583 -2.048 -8.244 -4.764 296 HB2 ASP 583 HB2 ASP 583 -0.125 -6.574 -3.189 297 HB3 ASP 583 HB1 ASP 583 -0.940 -7.944 -2.443 298 H ILE 584 HN ILE 584 -2.685 -4.983 -3.789 299 HA ILE 584 HA ILE 584 -4.604 -5.670 -1.820 300 HB ILE 584 HB ILE 584 -4.424 -3.152 -3.522 301 HG12 ILE 584 HG12 ILE 584 -3.679 -3.730 -0.665 302 HG13 ILE 584 HG11 ILE 584 -2.550 -3.443 -1.993 303 HG21 ILE 584 HG21 ILE 584 -6.734 -3.443 -2.824 304 HG22 ILE 584 HG22 ILE 584 -5.982 -2.095 -1.968 305 HG23 ILE 584 HG23 ILE 584 -6.204 -3.642 -1.152 306 HD11 ILE 584 HD11 ILE 584 -2.739 -1.504 -0.556 307 HD12 ILE 584 HD12 ILE 584 -4.489 -1.507 -0.783 308 HD13 ILE 584 HD13 ILE 584 -3.430 -1.139 -2.150 309 H ASN 585 HN ASN 585 -4.763 -5.431 -5.292 310 HA ASN 585 HA ASN 585 -7.621 -5.706 -5.444 311 HB2 ASN 585 HB2 ASN 585 -6.358 -4.627 -7.277 312 HB3 ASN 585 HB1 ASN 585 -5.509 -6.133 -7.588 313 HD21 ASN 585 HD21 ASN 585 -6.491 -7.681 -8.853 314 HD22 ASN 585 HD22 ASN 585 -8.052 -7.454 -9.564 315 H ARG 586 HN ARG 586 -4.970 -7.797 -5.138 316 HA ARG 586 HA ARG 586 -6.298 -10.243 -5.803 317 HB2 ARG 586 HB2 ARG 586 -3.859 -9.702 -4.123 318 HB3 ARG 586 HB1 ARG 586 -4.459 -11.311 -4.481 319 HG2 ARG 586 HG2 ARG 586 -4.081 -10.951 -6.844 320 HG3 ARG 586 HG1 ARG 586 -3.527 -9.304 -6.520 321 HD2 ARG 586 HD2 ARG 586 -1.635 -10.097 -5.295 322 HD3 ARG 586 HD1 ARG 586 -2.249 -11.743 -5.298 323 HE ARG 586 HE ARG 586 -1.978 -11.088 -7.923 324 HH11 ARG 586 HH11 ARG 586 0.295 -10.815 -5.237 325 HH12 ARG 586 HH12 ARG 586 1.609 -11.513 -6.051 326 HH21 ARG 586 HH21 ARG 586 -0.161 -12.016 -9.105 327 HH22 ARG 586 HH22 ARG 586 1.351 -12.202 -8.341 328 H LEU 587 HN LEU 587 -6.263 -8.237 -2.987 329 HA LEU 587 HA LEU 587 -6.965 -10.312 -1.134 330 HB2 LEU 587 HB2 LEU 587 -6.923 -7.335 -0.819 331 HB3 LEU 587 HB1 LEU 587 -7.229 -8.478 0.468 332 HG LEU 587 HG LEU 587 -4.672 -8.096 -1.058 333 HD11 LEU 587 HD11 LEU 587 -5.439 -7.659 1.813 334 HD12 LEU 587 HD12 LEU 587 -5.072 -6.417 0.610 335 HD13 LEU 587 HD13 LEU 587 -3.811 -7.530 1.158 336 HD21 LEU 587 HD21 LEU 587 -5.366 -10.141 1.045 337 HD22 LEU 587 HD22 LEU 587 -3.747 -9.805 0.430 338 HD23 LEU 587 HD23 LEU 587 -4.976 -10.459 -0.650 339 HA PRO 588 HA PRO 588 -11.384 -9.746 -1.311 340 HB2 PRO 588 HB2 PRO 588 -12.032 -11.160 0.907 341 HB3 PRO 588 HB1 PRO 588 -11.523 -11.955 -0.584 342 HG2 PRO 588 HG2 PRO 588 -9.957 -11.405 1.896 343 HG3 PRO 588 HG1 PRO 588 -9.949 -12.841 0.859 344 HD2 PRO 588 HD2 PRO 588 -8.044 -10.855 0.761 345 HD3 PRO 588 HD1 PRO 588 -8.444 -11.925 -0.597 346 H GLY 589 HN GLY 589 -13.070 -8.834 0.183 347 HA2 GLY 589 HA2 GLY 589 -12.378 -6.352 1.186 348 HA3 GLY 589 HA1 GLY 589 -13.873 -7.175 1.537 349 H GLU 590 HN GLU 590 -12.682 -9.347 3.038 350 HA GLU 590 HA GLU 590 -12.651 -8.218 5.599 351 HB2 GLU 590 HB2 GLU 590 -11.847 -10.374 6.433 352 HB3 GLU 590 HB1 GLU 590 -13.142 -10.584 5.260 353 HG2 GLU 590 HG2 GLU 590 -11.589 -11.264 3.581 354 HG3 GLU 590 HG1 GLU 590 -10.219 -10.848 4.611 355 H LYS 591 HN LYS 591 -10.012 -8.872 3.435 356 HA LYS 591 HA LYS 591 -7.972 -8.360 5.421 357 HB2 LYS 591 HB2 LYS 591 -7.729 -8.621 2.423 358 HB3 LYS 591 HB1 LYS 591 -6.383 -8.555 3.553 359 HG2 LYS 591 HG2 LYS 591 -8.460 -10.730 3.371 360 HG3 LYS 591 HG1 LYS 591 -6.792 -10.825 2.814 361 HD2 LYS 591 HD2 LYS 591 -6.010 -10.510 5.109 362 HD3 LYS 591 HD1 LYS 591 -7.682 -10.425 5.668 363 HE2 LYS 591 HE2 LYS 591 -8.057 -12.699 4.818 364 HE3 LYS 591 HE1 LYS 591 -6.369 -12.777 4.319 365 HZ1 LYS 591 HZ1 LYS 591 -7.347 -12.468 7.105 366 HZ2 LYS 591 HZ2 LYS 591 -5.724 -12.517 6.652 367 HZ3 LYS 591 HZ3 LYS 591 -6.730 -13.872 6.411 368 H LEU 592 HN LEU 592 -9.724 -6.662 3.004 369 HA LEU 592 HA LEU 592 -8.073 -4.437 2.807 370 HB2 LEU 592 HB2 LEU 592 -10.894 -5.021 2.129 371 HB3 LEU 592 HB1 LEU 592 -10.379 -3.346 2.147 372 HG LEU 592 HG LEU 592 -8.876 -5.409 0.533 373 HD11 LEU 592 HD11 LEU 592 -11.225 -3.699 -0.265 374 HD12 LEU 592 HD12 LEU 592 -11.194 -5.470 -0.246 375 HD13 LEU 592 HD13 LEU 592 -10.194 -4.575 -1.388 376 HD21 LEU 592 HD21 LEU 592 -9.175 -2.424 0.402 377 HD22 LEU 592 HD22 LEU 592 -8.228 -3.412 -0.704 378 HD23 LEU 592 HD23 LEU 592 -7.773 -3.309 1.002 379 H GLY 593 HN GLY 593 -10.505 -5.357 5.101 380 HA2 GLY 593 HA2 GLY 593 -11.118 -2.931 6.303 381 HA3 GLY 593 HA1 GLY 593 -11.107 -4.481 7.131 382 H ARG 594 HN ARG 594 -8.263 -4.940 6.721 383 HA ARG 594 HA ARG 594 -7.358 -3.395 8.948 384 HB2 ARG 594 HB2 ARG 594 -6.678 -5.624 9.077 385 HB3 ARG 594 HB1 ARG 594 -6.151 -5.688 7.413 386 HG2 ARG 594 HG2 ARG 594 -4.272 -5.743 8.933 387 HG3 ARG 594 HG1 ARG 594 -4.238 -4.282 7.951 388 HD2 ARG 594 HD2 ARG 594 -5.233 -3.048 9.790 389 HD3 ARG 594 HD1 ARG 594 -5.228 -4.531 10.749 390 HE ARG 594 HE ARG 594 -2.652 -4.332 10.081 391 HH11 ARG 594 HH11 ARG 594 -4.790 -1.831 11.398 392 HH12 ARG 594 HH12 ARG 594 -3.504 -0.851 11.953 393 HH21 ARG 594 HH21 ARG 594 -0.927 -2.985 10.817 394 HH22 ARG 594 HH22 ARG 594 -1.264 -1.531 11.645 395 H VAL 595 HN VAL 595 -6.572 -3.567 5.493 396 HA VAL 595 HA VAL 595 -4.377 -1.825 5.738 397 HB VAL 595 HB VAL 595 -4.712 -3.312 3.735 398 HG11 VAL 595 HG11 VAL 595 -7.040 -2.888 3.323 399 HG12 VAL 595 HG12 VAL 595 -6.054 -2.611 1.880 400 HG13 VAL 595 HG13 VAL 595 -6.662 -1.242 2.816 401 HG21 VAL 595 HG21 VAL 595 -4.251 -0.412 3.111 402 HG22 VAL 595 HG22 VAL 595 -3.810 -1.763 2.065 403 HG23 VAL 595 HG23 VAL 595 -3.040 -1.581 3.645 404 H VAL 596 HN VAL 596 -7.776 -1.240 5.308 405 HA VAL 596 HA VAL 596 -7.824 1.496 4.865 406 HB VAL 596 HB VAL 596 -9.670 -0.017 6.766 407 HG11 VAL 596 HG11 VAL 596 -9.876 2.409 6.999 408 HG12 VAL 596 HG12 VAL 596 -11.313 1.706 6.244 409 HG13 VAL 596 HG13 VAL 596 -10.127 2.542 5.254 410 HG21 VAL 596 HG21 VAL 596 -10.037 0.525 3.827 411 HG22 VAL 596 HG22 VAL 596 -11.179 -0.297 4.898 412 HG23 VAL 596 HG23 VAL 596 -9.621 -1.035 4.535 413 H HIS 597 HN HIS 597 -7.485 -0.246 8.010 414 HA HIS 597 HA HIS 597 -7.506 2.087 9.568 415 HB2 HIS 597 HB2 HIS 597 -8.235 -0.108 10.348 416 HB3 HIS 597 HB1 HIS 597 -6.625 -0.749 10.100 417 HD1 HIS 597 HD1 HIS 597 -6.739 -1.457 12.587 418 HD2 HIS 597 HD2 HIS 597 -6.806 2.629 11.973 419 HE1 HIS 597 HE1 HIS 597 -6.204 -0.399 14.844 420 H ILE 598 HN ILE 598 -5.030 0.180 7.985 421 HA ILE 598 HA ILE 598 -2.769 1.181 9.306 422 HB ILE 598 HB ILE 598 -2.948 0.359 6.380 423 HG12 ILE 598 HG12 ILE 598 -2.198 -1.288 8.811 424 HG13 ILE 598 HG11 ILE 598 -3.717 -1.413 7.941 425 HG21 ILE 598 HG21 ILE 598 -0.938 1.622 6.858 426 HG22 ILE 598 HG22 ILE 598 -0.530 -0.084 6.625 427 HG23 ILE 598 HG23 ILE 598 -0.598 0.595 8.250 428 HD11 ILE 598 HD11 ILE 598 -2.255 -3.217 7.324 429 HD12 ILE 598 HD12 ILE 598 -0.974 -2.088 6.892 430 HD13 ILE 598 HD13 ILE 598 -2.449 -2.151 5.933 431 H ILE 599 HN ILE 599 -4.440 2.295 6.350 432 HA ILE 599 HA ILE 599 -2.822 4.535 6.015 433 HB ILE 599 HB ILE 599 -5.560 3.835 4.967 434 HG12 ILE 599 HG12 ILE 599 -2.897 3.830 3.580 435 HG13 ILE 599 HG11 ILE 599 -3.510 2.440 4.465 436 HG21 ILE 599 HG21 ILE 599 -3.696 6.084 4.156 437 HG22 ILE 599 HG22 ILE 599 -5.295 6.267 4.873 438 HG23 ILE 599 HG23 ILE 599 -5.125 5.587 3.256 439 HD11 ILE 599 HD11 ILE 599 -3.928 2.270 2.096 440 HD12 ILE 599 HD12 ILE 599 -4.895 3.767 2.170 441 HD13 ILE 599 HD13 ILE 599 -5.368 2.333 3.107 442 H GLN 600 HN GLN 600 -6.013 4.130 7.623 443 HA GLN 600 HA GLN 600 -6.606 6.774 8.161 444 HB2 GLN 600 HB2 GLN 600 -7.081 4.441 9.987 445 HB3 GLN 600 HB1 GLN 600 -7.883 6.000 10.082 446 HG2 GLN 600 HG2 GLN 600 -8.620 5.616 7.753 447 HG3 GLN 600 HG1 GLN 600 -8.088 3.947 7.931 448 HE21 GLN 600 HE21 GLN 600 -10.360 6.285 8.801 449 HE22 GLN 600 HE22 GLN 600 -11.465 5.282 9.665 450 H SER 601 HN SER 601 -4.296 4.784 9.682 451 HA SER 601 HA SER 601 -3.887 6.182 12.077 452 HB2 SER 601 HB2 SER 601 -1.903 4.627 10.434 453 HB3 SER 601 HB1 SER 601 -1.714 5.038 12.145 454 HG SER 601 HG SER 601 -3.881 3.485 11.106 455 H ARG 602 HN ARG 602 -2.500 6.640 8.846 456 HA ARG 602 HA ARG 602 -1.013 8.957 9.859 457 HB2 ARG 602 HB2 ARG 602 0.223 7.122 8.620 458 HB3 ARG 602 HB1 ARG 602 -0.686 7.553 7.189 459 HG2 ARG 602 HG2 ARG 602 1.086 9.534 8.610 460 HG3 ARG 602 HG1 ARG 602 1.706 8.423 7.397 461 HD2 ARG 602 HD2 ARG 602 0.256 9.369 5.730 462 HD3 ARG 602 HD1 ARG 602 -0.526 10.398 6.932 463 HE ARG 602 HE ARG 602 2.024 11.132 7.139 464 HH11 ARG 602 HH11 ARG 602 -0.207 10.948 4.411 465 HH12 ARG 602 HH12 ARG 602 0.675 11.990 3.402 466 HH21 ARG 602 HH21 ARG 602 3.169 12.731 5.823 467 HH22 ARG 602 HH22 ARG 602 2.617 13.109 4.261 468 H GLU 603 HN GLU 603 -3.530 7.973 7.698 469 HA GLU 603 HA GLU 603 -3.871 10.696 6.668 470 HB2 GLU 603 HB2 GLU 603 -4.919 8.044 5.766 471 HB3 GLU 603 HB1 GLU 603 -5.519 9.519 5.071 472 HG2 GLU 603 HG2 GLU 603 -2.711 8.378 4.934 473 HG3 GLU 603 HG1 GLU 603 -3.860 8.522 3.610 474 HA PRO 604 HA PRO 604 -7.215 10.425 9.659 475 HB2 PRO 604 HB2 PRO 604 -7.215 12.978 10.448 476 HB3 PRO 604 HB1 PRO 604 -5.921 11.844 10.905 477 HG2 PRO 604 HG2 PRO 604 -5.888 13.929 8.758 478 HG3 PRO 604 HG1 PRO 604 -4.649 13.559 9.974 479 HD2 PRO 604 HD2 PRO 604 -4.660 12.618 7.382 480 HD3 PRO 604 HD1 PRO 604 -3.807 11.840 8.733 481 H SER 605 HN SER 605 -6.841 11.869 6.685 482 HA SER 605 HA SER 605 -9.290 13.266 6.402 483 HB2 SER 605 HB2 SER 605 -8.543 12.925 3.935 484 HB3 SER 605 HB1 SER 605 -7.538 13.921 4.997 485 HG SER 605 HG SER 605 -6.830 11.746 3.694 486 H LEU 606 HN LEU 606 -8.130 10.020 5.961 487 HA LEU 606 HA LEU 606 -10.336 8.981 4.522 488 HB2 LEU 606 HB2 LEU 606 -8.084 8.018 4.731 489 HB3 LEU 606 HB1 LEU 606 -8.376 7.546 6.363 490 HG LEU 606 HG LEU 606 -9.729 6.514 3.845 491 HD11 LEU 606 HD11 LEU 606 -7.535 5.785 4.108 492 HD12 LEU 606 HD12 LEU 606 -8.639 4.428 4.417 493 HD13 LEU 606 HD13 LEU 606 -7.837 5.263 5.766 494 HD21 LEU 606 HD21 LEU 606 -10.811 4.793 5.289 495 HD22 LEU 606 HD22 LEU 606 -11.376 6.437 5.599 496 HD23 LEU 606 HD23 LEU 606 -10.249 5.694 6.709 497 H ARG 607 HN ARG 607 -9.464 9.046 7.937 498 HA ARG 607 HA ARG 607 -11.800 8.030 9.116 499 HB2 ARG 607 HB2 ARG 607 -9.963 10.197 10.132 500 HB3 ARG 607 HB1 ARG 607 -11.132 9.332 11.111 501 HG2 ARG 607 HG2 ARG 607 -9.928 7.282 10.828 502 HG3 ARG 607 HG1 ARG 607 -8.822 8.035 9.683 503 HD2 ARG 607 HD2 ARG 607 -7.769 7.900 11.873 504 HD3 ARG 607 HD1 ARG 607 -8.092 9.579 11.432 505 HE ARG 607 HE ARG 607 -10.117 8.304 13.037 506 HH11 ARG 607 HH11 ARG 607 -7.149 10.263 13.136 507 HH12 ARG 607 HH12 ARG 607 -7.500 10.964 14.643 508 HH21 ARG 607 HH21 ARG 607 -10.556 9.273 15.162 509 HH22 ARG 607 HH22 ARG 607 -9.454 10.406 15.792 510 H ASP 608 HN ASP 608 -11.042 11.189 7.885 511 HA ASP 608 HA ASP 608 -13.284 12.623 8.919 512 HB2 ASP 608 HB2 ASP 608 -11.216 13.743 8.131 513 HB3 ASP 608 HB1 ASP 608 -11.585 13.229 6.493 514 H SER 609 HN SER 609 -12.646 11.024 5.852 515 HA SER 609 HA SER 609 -15.312 11.508 4.875 516 HB2 SER 609 HB2 SER 609 -13.077 9.751 3.816 517 HB3 SER 609 HB1 SER 609 -14.542 10.188 2.936 518 HG SER 609 HG SER 609 -13.702 12.418 3.658 519 H ASN 610 HN ASN 610 -16.295 9.231 3.921 520 HA ASN 610 HA ASN 610 -16.834 7.694 6.255 521 HB2 ASN 610 HB2 ASN 610 -17.666 7.269 3.398 522 HB3 ASN 610 HB1 ASN 610 -18.139 6.192 4.687 523 HD21 ASN 610 HD21 ASN 610 -19.658 6.824 6.160 524 HD22 ASN 610 HD22 ASN 610 -20.611 8.259 5.974 525 HA PRO 611 HA PRO 611 -13.288 5.075 5.947 526 HB2 PRO 611 HB2 PRO 611 -14.064 3.249 7.815 527 HB3 PRO 611 HB1 PRO 611 -13.460 4.856 8.235 528 HG2 PRO 611 HG2 PRO 611 -16.293 3.903 8.017 529 HG3 PRO 611 HG1 PRO 611 -15.550 4.904 9.279 530 HD2 PRO 611 HD2 PRO 611 -17.025 6.002 7.272 531 HD3 PRO 611 HD1 PRO 611 -15.593 6.822 7.952 532 H ASP 612 HN ASP 612 -16.416 4.192 5.113 533 HA ASP 612 HA ASP 612 -16.100 1.449 4.412 534 HB2 ASP 612 HB2 ASP 612 -18.271 2.714 4.620 535 HB3 ASP 612 HB1 ASP 612 -17.893 3.476 3.092 536 H GLU 613 HN GLU 613 -15.489 4.469 2.896 537 HA GLU 613 HA GLU 613 -14.367 3.121 0.558 538 HB2 GLU 613 HB2 GLU 613 -16.054 4.812 0.005 539 HB3 GLU 613 HB1 GLU 613 -15.208 6.010 0.965 540 HG2 GLU 613 HG2 GLU 613 -13.392 6.072 -0.591 541 HG3 GLU 613 HG1 GLU 613 -14.049 4.704 -1.484 542 H ILE 614 HN ILE 614 -12.300 2.799 0.667 543 HA ILE 614 HA ILE 614 -10.678 4.012 2.688 544 HB ILE 614 HB ILE 614 -10.488 1.564 1.835 545 HG12 ILE 614 HG12 ILE 614 -7.962 3.233 2.033 546 HG13 ILE 614 HG11 ILE 614 -8.854 2.555 3.392 547 HG21 ILE 614 HG21 ILE 614 -10.342 2.033 -0.591 548 HG22 ILE 614 HG22 ILE 614 -8.860 1.248 -0.030 549 HG23 ILE 614 HG23 ILE 614 -8.908 2.987 -0.291 550 HD11 ILE 614 HD11 ILE 614 -8.342 0.274 2.521 551 HD12 ILE 614 HD12 ILE 614 -6.902 1.180 2.939 552 HD13 ILE 614 HD13 ILE 614 -7.370 1.018 1.260 553 H GLU 615 HN GLU 615 -8.980 5.356 2.413 554 HA GLU 615 HA GLU 615 -8.718 6.683 -0.152 555 HB2 GLU 615 HB2 GLU 615 -8.026 7.437 2.642 556 HB3 GLU 615 HB1 GLU 615 -7.050 8.095 1.340 557 HG2 GLU 615 HG2 GLU 615 -10.034 8.350 1.537 558 HG3 GLU 615 HG1 GLU 615 -8.872 9.582 2.039 559 H ILE 616 HN ILE 616 -7.516 5.397 -1.349 560 HA ILE 616 HA ILE 616 -4.813 4.967 -0.330 561 HB ILE 616 HB ILE 616 -6.091 3.320 -2.534 562 HG12 ILE 616 HG12 ILE 616 -5.368 2.445 0.267 563 HG13 ILE 616 HG11 ILE 616 -7.011 2.724 -0.292 564 HG21 ILE 616 HG21 ILE 616 -3.444 3.104 -1.091 565 HG22 ILE 616 HG22 ILE 616 -3.681 3.633 -2.755 566 HG23 ILE 616 HG23 ILE 616 -4.026 1.960 -2.302 567 HD11 ILE 616 HD11 ILE 616 -6.443 0.321 -0.289 568 HD12 ILE 616 HD12 ILE 616 -5.108 0.653 -1.385 569 HD13 ILE 616 HD13 ILE 616 -6.762 0.912 -1.919 570 H ASP 617 HN ASP 617 -3.970 6.715 -1.002 571 HA ASP 617 HA ASP 617 -3.747 7.013 -3.893 572 HB2 ASP 617 HB2 ASP 617 -5.100 8.901 -2.953 573 HB3 ASP 617 HB1 ASP 617 -3.744 9.288 -1.891 574 H PHE 618 HN PHE 618 -1.834 6.375 -4.308 575 HA PHE 618 HA PHE 618 0.075 5.885 -2.291 576 HB2 PHE 618 HB2 PHE 618 0.237 5.682 -5.283 577 HB3 PHE 618 HB1 PHE 618 1.539 5.257 -4.181 578 HD1 PHE 618 HD1 PHE 618 -2.029 4.421 -4.900 579 HD2 PHE 618 HD2 PHE 618 1.712 3.144 -3.371 580 HE1 PHE 618 HE1 PHE 618 -2.885 2.110 -4.703 581 HE2 PHE 618 HE2 PHE 618 0.863 0.870 -3.175 582 HZ PHE 618 HZ PHE 618 -1.441 0.347 -3.840 583 H GLU 619 HN GLU 619 -0.546 8.684 -4.099 584 HA GLU 619 HA GLU 619 2.204 9.529 -4.142 585 HB2 GLU 619 HB2 GLU 619 -0.283 11.060 -4.911 586 HB3 GLU 619 HB1 GLU 619 1.377 11.471 -5.318 587 HG2 GLU 619 HG2 GLU 619 -0.157 9.074 -6.300 588 HG3 GLU 619 HG1 GLU 619 0.247 10.514 -7.237 589 H THR 620 HN THR 620 -0.731 10.063 -2.338 590 HA THR 620 HA THR 620 0.380 12.217 -0.785 591 HB THR 620 HB THR 620 -1.707 11.871 0.637 592 HG1 THR 620 HG1 THR 620 -1.878 9.624 -0.765 593 HG21 THR 620 HG21 THR 620 -3.185 12.876 -1.059 594 HG22 THR 620 HG22 THR 620 -2.024 12.422 -2.311 595 HG23 THR 620 HG23 THR 620 -1.576 13.601 -1.078 596 H LEU 621 HN LEU 621 0.696 8.912 -0.641 597 HA LEU 621 HA LEU 621 0.780 8.726 2.251 598 HB2 LEU 621 HB2 LEU 621 0.959 6.780 0.024 599 HB3 LEU 621 HB1 LEU 621 1.319 6.310 1.685 600 HG LEU 621 HG LEU 621 -1.341 7.428 0.762 601 HD11 LEU 621 HD11 LEU 621 -0.463 4.604 1.317 602 HD12 LEU 621 HD12 LEU 621 -0.877 5.252 -0.274 603 HD13 LEU 621 HD13 LEU 621 -2.121 5.105 0.976 604 HD21 LEU 621 HD21 LEU 621 -0.883 7.783 3.124 605 HD22 LEU 621 HD22 LEU 621 -0.397 6.090 3.264 606 HD23 LEU 621 HD23 LEU 621 -2.083 6.492 2.908 607 H LYS 622 HN LYS 622 2.540 8.267 3.444 608 HA LYS 622 HA LYS 622 5.130 8.643 2.180 609 HB2 LYS 622 HB2 LYS 622 4.288 8.588 5.078 610 HB3 LYS 622 HB1 LYS 622 5.974 8.519 4.603 611 HG2 LYS 622 HG2 LYS 622 5.565 10.698 3.369 612 HG3 LYS 622 HG1 LYS 622 4.017 10.767 4.210 613 HD2 LYS 622 HD2 LYS 622 5.683 12.068 5.433 614 HD3 LYS 622 HD1 LYS 622 5.216 10.655 6.378 615 HE2 LYS 622 HE2 LYS 622 7.242 9.491 5.752 616 HE3 LYS 622 HE1 LYS 622 7.685 10.763 4.625 617 HZ1 LYS 622 HZ1 LYS 622 7.835 12.249 6.593 618 HZ2 LYS 622 HZ2 LYS 622 8.966 11.013 6.545 619 HZ3 LYS 622 HZ3 LYS 622 7.644 10.899 7.595 620 HA PRO 623 HA PRO 623 6.744 4.493 2.071 621 HB2 PRO 623 HB2 PRO 623 8.840 4.918 3.991 622 HB3 PRO 623 HB1 PRO 623 8.951 4.915 2.247 623 HG2 PRO 623 HG2 PRO 623 8.629 7.205 4.107 624 HG3 PRO 623 HG1 PRO 623 9.452 7.137 2.539 625 HD2 PRO 623 HD2 PRO 623 7.141 8.377 2.801 626 HD3 PRO 623 HD1 PRO 623 7.455 7.379 1.366 627 H THR 624 HN THR 624 6.355 5.910 5.330 628 HA THR 624 HA THR 624 6.632 3.653 6.899 629 HB THR 624 HB THR 624 4.990 5.059 8.346 630 HG1 THR 624 HG1 THR 624 4.826 7.211 7.613 631 HG21 THR 624 HG21 THR 624 6.812 6.622 8.960 632 HG22 THR 624 HG22 THR 624 7.679 6.167 7.490 633 HG23 THR 624 HG23 THR 624 7.409 4.975 8.760 634 H THR 625 HN THR 625 3.828 5.118 5.382 635 HA THR 625 HA THR 625 2.073 3.107 6.388 636 HB THR 625 HB THR 625 1.597 5.298 4.390 637 HG1 THR 625 HG1 THR 625 2.112 5.353 7.046 638 HG21 THR 625 HG21 THR 625 -0.278 3.776 6.218 639 HG22 THR 625 HG22 THR 625 -0.157 3.575 4.473 640 HG23 THR 625 HG23 THR 625 -0.756 5.098 5.149 641 H LEU 626 HN LEU 626 3.260 4.183 3.214 642 HA LEU 626 HA LEU 626 2.032 2.401 1.542 643 HB2 LEU 626 HB2 LEU 626 4.792 3.566 1.385 644 HB3 LEU 626 HB1 LEU 626 4.120 2.575 0.107 645 HG LEU 626 HG LEU 626 2.842 5.114 1.081 646 HD11 LEU 626 HD11 LEU 626 3.778 6.142 -0.950 647 HD12 LEU 626 HD12 LEU 626 4.622 4.641 -1.326 648 HD13 LEU 626 HD13 LEU 626 5.070 5.573 0.107 649 HD21 LEU 626 HD21 LEU 626 1.316 3.588 -0.013 650 HD22 LEU 626 HD22 LEU 626 2.444 3.399 -1.354 651 HD23 LEU 626 HD23 LEU 626 1.661 4.951 -1.079 652 H ARG 627 HN ARG 627 5.068 1.879 3.303 653 HA ARG 627 HA ARG 627 5.528 -0.641 2.131 654 HB2 ARG 627 HB2 ARG 627 7.259 0.831 3.175 655 HB3 ARG 627 HB1 ARG 627 6.587 0.357 4.741 656 HG2 ARG 627 HG2 ARG 627 7.114 -1.964 4.289 657 HG3 ARG 627 HG1 ARG 627 7.678 -1.531 2.677 658 HD2 ARG 627 HD2 ARG 627 9.395 -0.091 3.772 659 HD3 ARG 627 HD1 ARG 627 8.903 -0.798 5.313 660 HE ARG 627 HE ARG 627 9.556 -2.684 3.247 661 HH11 ARG 627 HH11 ARG 627 10.671 -0.981 6.145 662 HH12 ARG 627 HH12 ARG 627 12.150 -1.853 6.218 663 HH21 ARG 627 HH21 ARG 627 11.536 -3.920 3.449 664 HH22 ARG 627 HH22 ARG 627 12.621 -3.552 4.710 665 H GLU 628 HN GLU 628 3.860 0.441 5.027 666 HA GLU 628 HA GLU 628 3.678 -2.103 6.256 667 HB2 GLU 628 HB2 GLU 628 3.310 0.133 7.394 668 HB3 GLU 628 HB1 GLU 628 1.756 0.219 6.578 669 HG2 GLU 628 HG2 GLU 628 1.362 -0.558 8.787 670 HG3 GLU 628 HG1 GLU 628 1.136 -1.926 7.698 671 H LEU 629 HN LEU 629 1.765 -0.365 3.889 672 HA LEU 629 HA LEU 629 -0.507 -2.046 3.815 673 HB2 LEU 629 HB2 LEU 629 0.615 -0.733 1.333 674 HB3 LEU 629 HB1 LEU 629 -1.063 -1.067 1.729 675 HG LEU 629 HG LEU 629 0.645 1.093 2.925 676 HD11 LEU 629 HD11 LEU 629 -0.878 2.586 1.735 677 HD12 LEU 629 HD12 LEU 629 -1.656 1.189 0.990 678 HD13 LEU 629 HD13 LEU 629 0.035 1.550 0.640 679 HD21 LEU 629 HD21 LEU 629 -0.984 0.221 4.530 680 HD22 LEU 629 HD22 LEU 629 -2.275 0.487 3.351 681 HD23 LEU 629 HD23 LEU 629 -1.368 1.855 3.998 682 H GLU 630 HN GLU 630 2.438 -1.971 1.805 683 HA GLU 630 HA GLU 630 1.926 -4.221 0.238 684 HB2 GLU 630 HB2 GLU 630 3.756 -2.542 -0.174 685 HB3 GLU 630 HB1 GLU 630 4.660 -3.303 1.126 686 HG2 GLU 630 HG2 GLU 630 4.428 -5.472 -0.146 687 HG3 GLU 630 HG1 GLU 630 3.853 -4.510 -1.495 688 H ARG 631 HN ARG 631 3.695 -3.887 3.278 689 HA ARG 631 HA ARG 631 4.620 -6.486 3.543 690 HB2 ARG 631 HB2 ARG 631 5.489 -4.479 4.604 691 HB3 ARG 631 HB1 ARG 631 4.013 -4.314 5.520 692 HG2 ARG 631 HG2 ARG 631 4.533 -6.116 6.881 693 HG3 ARG 631 HG1 ARG 631 5.780 -6.699 5.766 694 HD2 ARG 631 HD2 ARG 631 6.726 -5.572 7.695 695 HD3 ARG 631 HD1 ARG 631 7.135 -4.767 6.187 696 HE ARG 631 HE ARG 631 4.873 -3.715 7.738 697 HH11 ARG 631 HH11 ARG 631 8.294 -3.280 6.792 698 HH12 ARG 631 HH12 ARG 631 8.312 -1.637 7.251 699 HH21 ARG 631 HH21 ARG 631 5.006 -1.516 8.409 700 HH22 ARG 631 HH22 ARG 631 6.463 -0.631 8.131 701 H TYR 632 HN TYR 632 1.584 -5.023 4.255 702 HA TYR 632 HA TYR 632 0.683 -7.242 5.846 703 HB2 TYR 632 HB2 TYR 632 -0.241 -5.170 6.462 704 HB3 TYR 632 HB1 TYR 632 -0.773 -4.804 4.818 705 HD1 TYR 632 HD1 TYR 632 -2.884 -5.408 4.146 706 HD2 TYR 632 HD2 TYR 632 -1.266 -7.184 7.637 707 HE1 TYR 632 HE1 TYR 632 -5.009 -6.505 4.545 708 HE2 TYR 632 HE2 TYR 632 -3.399 -8.299 8.084 709 HH TYR 632 HH TYR 632 -5.878 -8.386 5.728 710 H VAL 633 HN VAL 633 -0.147 -5.888 2.672 711 HA VAL 633 HA VAL 633 -1.937 -7.871 1.970 712 HB VAL 633 HB VAL 633 -1.712 -7.199 -0.358 713 HG11 VAL 633 HG11 VAL 633 -2.938 -5.678 1.080 714 HG12 VAL 633 HG12 VAL 633 -2.097 -4.817 -0.208 715 HG13 VAL 633 HG13 VAL 633 -1.440 -4.806 1.428 716 HG21 VAL 633 HG21 VAL 633 0.775 -5.746 0.504 717 HG22 VAL 633 HG22 VAL 633 0.004 -5.533 -1.069 718 HG23 VAL 633 HG23 VAL 633 0.684 -7.103 -0.612 719 H LYS 634 HN LYS 634 1.562 -7.845 1.589 720 HA LYS 634 HA LYS 634 1.680 -10.222 0.080 721 HB2 LYS 634 HB2 LYS 634 4.048 -10.183 0.447 722 HB3 LYS 634 HB1 LYS 634 3.466 -8.512 0.324 723 HG2 LYS 634 HG2 LYS 634 3.657 -8.214 2.684 724 HG3 LYS 634 HG1 LYS 634 4.101 -9.903 2.906 725 HD2 LYS 634 HD2 LYS 634 6.091 -8.496 2.974 726 HD3 LYS 634 HD1 LYS 634 6.125 -9.535 1.549 727 HE2 LYS 634 HE2 LYS 634 5.306 -7.657 0.185 728 HE3 LYS 634 HE1 LYS 634 5.305 -6.626 1.607 729 HZ1 LYS 634 HZ1 LYS 634 7.676 -7.877 0.339 730 HZ2 LYS 634 HZ2 LYS 634 7.708 -7.026 1.773 731 HZ3 LYS 634 HZ3 LYS 634 7.246 -6.229 0.342 732 H SER 635 HN SER 635 1.304 -9.619 3.477 733 HA SER 635 HA SER 635 2.181 -12.191 4.356 734 HB2 SER 635 HB2 SER 635 0.497 -10.083 5.741 735 HB3 SER 635 HB1 SER 635 1.105 -11.550 6.512 736 HG SER 635 HG SER 635 2.555 -9.308 5.552 737 H CYS 636 HN CYS 636 -0.640 -10.736 3.170 738 HA CYS 636 HA CYS 636 -2.463 -12.724 4.069 739 HB2 CYS 636 HB2 CYS 636 -2.667 -10.505 2.073 740 HB3 CYS 636 HB1 CYS 636 -4.020 -11.437 2.694 741 HG CYS 636 HG CYS 636 -2.014 -9.294 4.396 742 H LEU 637 HN LEU 637 -0.724 -11.965 1.074 743 HA LEU 637 HA LEU 637 -1.980 -14.069 -0.367 744 HB2 LEU 637 HB2 LEU 637 0.366 -12.314 -0.918 745 HB3 LEU 637 HB1 LEU 637 0.128 -13.725 -1.923 746 HG LEU 637 HG LEU 637 -0.766 -11.890 -3.107 747 HD11 LEU 637 HD11 LEU 637 -2.145 -13.854 -3.207 748 HD12 LEU 637 HD12 LEU 637 -3.098 -12.382 -3.364 749 HD13 LEU 637 HD13 LEU 637 -3.114 -13.272 -1.851 750 HD21 LEU 637 HD21 LEU 637 -2.318 -11.133 -0.644 751 HD22 LEU 637 HD22 LEU 637 -2.449 -10.352 -2.223 752 HD23 LEU 637 HD23 LEU 637 -0.938 -10.267 -1.317 753 H GLN 638 HN GLN 638 1.065 -13.805 1.380 754 HA GLN 638 HA GLN 638 1.914 -16.434 0.668 755 HB2 GLN 638 HB2 GLN 638 2.825 -14.605 2.824 756 HB3 GLN 638 HB1 GLN 638 3.647 -16.108 2.416 757 HG2 GLN 638 HG2 GLN 638 4.041 -15.203 0.135 758 HG3 GLN 638 HG1 GLN 638 3.321 -13.679 0.655 759 HE21 GLN 638 HE21 GLN 638 6.030 -15.785 0.920 760 HE22 GLN 638 HE22 GLN 638 7.097 -14.683 1.710 761 H LYS 639 HN LYS 639 0.332 -15.038 3.493 762 HA LYS 639 HA LYS 639 -0.081 -17.728 4.548 763 HB2 LYS 639 HB2 LYS 639 1.109 -16.054 5.990 764 HB3 LYS 639 HB1 LYS 639 -0.311 -15.028 5.902 765 HG2 LYS 639 HG2 LYS 639 -1.597 -16.757 7.064 766 HG3 LYS 639 HG1 LYS 639 -0.130 -17.741 7.171 767 HD2 LYS 639 HD2 LYS 639 0.969 -15.810 8.338 768 HD3 LYS 639 HD1 LYS 639 -0.607 -15.028 8.397 769 HE2 LYS 639 HE2 LYS 639 -0.105 -16.184 10.483 770 HE3 LYS 639 HE1 LYS 639 -1.498 -16.902 9.669 771 HZ1 LYS 639 HZ1 LYS 639 0.065 -18.566 10.524 772 HZ2 LYS 639 HZ2 LYS 639 1.270 -17.961 9.503 773 HZ3 LYS 639 HZ3 LYS 639 -0.091 -18.668 8.855 774 H LYS 640 HN LYS 640 -1.710 -18.030 2.991 775 HA LYS 640 HA LYS 640 -3.862 -16.137 2.805 776 HB2 LYS 640 HB2 LYS 640 -2.906 -17.214 0.796 777 HB3 LYS 640 HB1 LYS 640 -3.473 -18.768 1.381 778 HG2 LYS 640 HG2 LYS 640 -5.781 -18.005 1.200 779 HG3 LYS 640 HG1 LYS 640 -5.219 -16.424 0.642 780 HD2 LYS 640 HD2 LYS 640 -4.140 -17.499 -1.279 781 HD3 LYS 640 HD1 LYS 640 -4.737 -19.063 -0.727 782 HE2 LYS 640 HE2 LYS 640 -6.134 -18.207 -2.504 783 HE3 LYS 640 HE1 LYS 640 -7.043 -18.270 -0.999 784 HZ1 LYS 640 HZ1 LYS 640 -6.652 -15.860 -0.760 785 HZ2 LYS 640 HZ2 LYS 640 -7.479 -16.224 -2.161 786 HZ3 LYS 640 HZ3 LYS 640 -5.854 -15.836 -2.244 787 H GLN 641 HN GLN 641 -5.026 -16.188 4.565 788 HA GLN 641 HA GLN 641 -6.673 -18.545 5.022 789 HB2 GLN 641 HB2 GLN 641 -6.529 -18.098 7.505 790 HB3 GLN 641 HB1 GLN 641 -5.071 -18.768 6.788 791 HG2 GLN 641 HG2 GLN 641 -3.964 -16.666 6.868 792 HG3 GLN 641 HG1 GLN 641 -5.455 -15.828 7.288 793 HE21 GLN 641 HE21 GLN 641 -6.169 -15.870 9.361 794 HE22 GLN 641 HE22 GLN 641 -5.242 -16.463 10.684 795 H ARG 642 HN ARG 642 -8.769 -18.010 5.530 796 HA ARG 642 HA ARG 642 -9.338 -15.129 5.597 797 HB2 ARG 642 HB2 ARG 642 -11.016 -17.368 4.505 798 HB3 ARG 642 HB1 ARG 642 -11.605 -15.735 4.741 799 HG2 ARG 642 HG2 ARG 642 -9.758 -15.018 3.168 800 HG3 ARG 642 HG1 ARG 642 -9.570 -16.738 2.801 801 HD2 ARG 642 HD2 ARG 642 -11.079 -15.718 1.182 802 HD3 ARG 642 HD1 ARG 642 -11.960 -16.848 2.220 803 HE ARG 642 HE ARG 642 -12.112 -14.360 3.428 804 HH11 ARG 642 HH11 ARG 642 -13.456 -15.919 0.558 805 HH12 ARG 642 HH12 ARG 642 -14.754 -14.807 0.415 806 HH21 ARG 642 HH21 ARG 642 -13.786 -12.880 3.213 807 HH22 ARG 642 HH22 ARG 642 -14.906 -12.962 1.923 808 H LYS 643 HN LYS 643 -10.696 -14.397 7.108 809 HA LYS 643 HA LYS 643 -12.193 -16.230 8.700 810 HB2 LYS 643 HB2 LYS 643 -9.954 -14.681 10.008 811 HB3 LYS 643 HB1 LYS 643 -11.362 -15.200 10.915 812 HG2 LYS 643 HG2 LYS 643 -9.473 -17.038 9.443 813 HG3 LYS 643 HG1 LYS 643 -9.449 -16.724 11.181 814 HD2 LYS 643 HD2 LYS 643 -11.641 -17.707 11.450 815 HD3 LYS 643 HD1 LYS 643 -11.841 -17.859 9.711 816 HE2 LYS 643 HE2 LYS 643 -9.767 -19.296 11.366 817 HE3 LYS 643 HE1 LYS 643 -11.276 -19.990 10.781 818 HZ1 LYS 643 HZ1 LYS 643 -10.494 -19.544 8.488 819 HZ2 LYS 643 HZ2 LYS 643 -9.481 -20.608 9.322 820 HZ3 LYS 643 HZ3 LYS 643 -9.015 -19.023 9.111 821 HA PRO 644 HA PRO 644 -14.526 -12.419 8.466 822 HB2 PRO 644 HB2 PRO 644 -16.635 -13.868 7.186 823 HB3 PRO 644 HB1 PRO 644 -15.598 -12.652 6.442 824 HG2 PRO 644 HG2 PRO 644 -15.627 -15.361 5.803 825 HG3 PRO 644 HG1 PRO 644 -14.318 -14.233 5.419 826 HD2 PRO 644 HD2 PRO 644 -14.519 -16.217 7.642 827 HD3 PRO 644 HD1 PRO 644 -13.103 -15.698 6.708 Start of MODEL 17 1 H1 LYS 290 HT1 LYS 290 2.371 12.937 -11.098 2 H2 LYS 290 HT2 LYS 290 1.309 13.117 -12.371 3 H3 LYS 290 HT3 LYS 290 1.000 11.974 -11.165 4 HA LYS 290 HA LYS 290 0.662 13.599 -9.546 5 HB2 LYS 290 HB2 LYS 290 1.377 15.572 -11.725 6 HB3 LYS 290 HB1 LYS 290 0.574 16.032 -10.233 7 HG2 LYS 290 HG2 LYS 290 3.278 14.705 -10.369 8 HG3 LYS 290 HG1 LYS 290 3.016 16.441 -10.238 9 HD2 LYS 290 HD2 LYS 290 1.815 16.115 -8.130 10 HD3 LYS 290 HD1 LYS 290 2.061 14.377 -8.252 11 HE2 LYS 290 HE2 LYS 290 4.263 16.434 -8.045 12 HE3 LYS 290 HE1 LYS 290 3.649 15.466 -6.706 13 HZ1 LYS 290 HZ1 LYS 290 5.023 14.427 -9.133 14 HZ2 LYS 290 HZ2 LYS 290 4.344 13.479 -7.922 15 HZ3 LYS 290 HZ3 LYS 290 5.640 14.480 -7.561 16 H VAL 291 HN VAL 291 -0.452 14.253 -12.935 17 HA VAL 291 HA VAL 291 -3.042 14.923 -11.994 18 HB VAL 291 HB VAL 291 -2.166 15.786 -14.152 19 HG11 VAL 291 HG11 VAL 291 -2.579 12.993 -15.160 20 HG12 VAL 291 HG12 VAL 291 -1.047 13.859 -15.024 21 HG13 VAL 291 HG13 VAL 291 -2.272 14.402 -16.170 22 HG21 VAL 291 HG21 VAL 291 -4.554 15.890 -13.741 23 HG22 VAL 291 HG22 VAL 291 -4.759 14.266 -14.400 24 HG23 VAL 291 HG23 VAL 291 -4.244 15.584 -15.450 25 H ALA 292 HN ALA 292 -1.656 11.922 -13.142 26 HA ALA 292 HA ALA 292 -4.153 10.653 -12.286 27 HB1 ALA 292 HB1 ALA 292 -3.794 8.858 -13.897 28 HB2 ALA 292 HB2 ALA 292 -2.296 9.613 -14.431 29 HB3 ALA 292 HB3 ALA 292 -3.837 10.415 -14.728 30 HA PRO 293 HA PRO 293 -0.809 9.049 -9.687 31 HB2 PRO 293 HB2 PRO 293 -1.780 9.736 -7.318 32 HB3 PRO 293 HB1 PRO 293 -1.055 10.953 -8.380 33 HG2 PRO 293 HG2 PRO 293 -3.901 10.428 -7.754 34 HG3 PRO 293 HG1 PRO 293 -3.104 11.967 -8.120 35 HD2 PRO 293 HD2 PRO 293 -4.590 10.340 -9.912 36 HD3 PRO 293 HD1 PRO 293 -3.606 11.757 -10.329 37 H LEU 294 HN LEU 294 -0.950 7.483 -7.835 38 HA LEU 294 HA LEU 294 -2.940 5.519 -8.431 39 HB2 LEU 294 HB2 LEU 294 -0.459 5.573 -6.794 40 HB3 LEU 294 HB1 LEU 294 -1.652 4.326 -6.479 41 HG LEU 294 HG LEU 294 -0.511 4.734 -9.238 42 HD11 LEU 294 HD11 LEU 294 1.089 2.988 -8.696 43 HD12 LEU 294 HD12 LEU 294 0.471 2.891 -7.058 44 HD13 LEU 294 HD13 LEU 294 1.329 4.341 -7.591 45 HD21 LEU 294 HD21 LEU 294 -1.231 2.468 -9.531 46 HD22 LEU 294 HD22 LEU 294 -2.601 3.389 -8.902 47 HD23 LEU 294 HD23 LEU 294 -1.665 2.329 -7.839 48 H LYS 295 HN LYS 295 -4.741 6.670 -7.772 49 HA LYS 295 HA LYS 295 -5.177 6.418 -4.895 50 HB2 LYS 295 HB2 LYS 295 -6.922 8.220 -5.067 51 HB3 LYS 295 HB1 LYS 295 -5.299 8.797 -5.387 52 HG2 LYS 295 HG2 LYS 295 -5.738 8.923 -7.743 53 HG3 LYS 295 HG1 LYS 295 -7.278 8.097 -7.552 54 HD2 LYS 295 HD2 LYS 295 -7.816 10.387 -7.837 55 HD3 LYS 295 HD1 LYS 295 -8.018 10.068 -6.126 56 HE2 LYS 295 HE2 LYS 295 -5.606 11.418 -7.377 57 HE3 LYS 295 HE1 LYS 295 -6.950 12.250 -6.632 58 HZ1 LYS 295 HZ1 LYS 295 -4.907 10.555 -5.228 59 HZ2 LYS 295 HZ2 LYS 295 -6.343 11.060 -4.527 60 HZ3 LYS 295 HZ3 LYS 295 -5.255 12.188 -5.038 61 H ILE 296 HN ILE 296 -6.367 4.753 -4.511 62 HA ILE 296 HA ILE 296 -8.377 3.993 -6.509 63 HB ILE 296 HB ILE 296 -6.528 2.424 -6.636 64 HG12 ILE 296 HG12 ILE 296 -7.669 0.265 -6.094 65 HG13 ILE 296 HG11 ILE 296 -8.906 1.177 -5.239 66 HG21 ILE 296 HG21 ILE 296 -5.527 2.744 -4.487 67 HG22 ILE 296 HG22 ILE 296 -5.804 1.025 -4.777 68 HG23 ILE 296 HG23 ILE 296 -6.874 1.925 -3.698 69 HD11 ILE 296 HD11 ILE 296 -9.533 2.279 -7.317 70 HD12 ILE 296 HD12 ILE 296 -9.632 0.523 -7.470 71 HD13 ILE 296 HD13 ILE 296 -8.269 1.394 -8.172 72 H LYS 297 HN LYS 297 -10.370 3.752 -5.796 73 HA LYS 297 HA LYS 297 -10.937 4.001 -2.936 74 HB2 LYS 297 HB2 LYS 297 -12.724 4.141 -5.363 75 HB3 LYS 297 HB1 LYS 297 -13.309 4.228 -3.717 76 HG2 LYS 297 HG2 LYS 297 -12.077 6.307 -3.385 77 HG3 LYS 297 HG1 LYS 297 -11.467 6.211 -5.046 78 HD2 LYS 297 HD2 LYS 297 -13.759 6.272 -5.898 79 HD3 LYS 297 HD1 LYS 297 -14.369 6.294 -4.246 80 HE2 LYS 297 HE2 LYS 297 -12.711 8.451 -5.551 81 HE3 LYS 297 HE1 LYS 297 -14.448 8.509 -5.286 82 HZ1 LYS 297 HZ1 LYS 297 -13.819 8.202 -2.817 83 HZ2 LYS 297 HZ2 LYS 297 -13.606 9.694 -3.542 84 HZ3 LYS 297 HZ3 LYS 297 -12.265 8.710 -3.302 85 H LEU 298 HN LEU 298 -13.119 2.772 -2.441 86 HA LEU 298 HA LEU 298 -12.966 0.001 -3.373 87 HB2 LEU 298 HB2 LEU 298 -12.361 0.993 -0.795 88 HB3 LEU 298 HB1 LEU 298 -13.934 0.240 -0.658 89 HG LEU 298 HG LEU 298 -12.058 -1.239 -0.022 90 HD11 LEU 298 HD11 LEU 298 -14.123 -2.248 -0.794 91 HD12 LEU 298 HD12 LEU 298 -12.758 -3.207 -1.377 92 HD13 LEU 298 HD13 LEU 298 -13.601 -2.112 -2.471 93 HD21 LEU 298 HD21 LEU 298 -11.280 -1.106 -2.949 94 HD22 LEU 298 HD22 LEU 298 -10.576 -2.176 -1.744 95 HD23 LEU 298 HD23 LEU 298 -10.369 -0.434 -1.600 96 H GLY 299 HN GLY 299 -15.281 -0.950 -2.118 97 HA2 GLY 299 HA2 GLY 299 -17.594 -0.723 -2.127 98 HA3 GLY 299 HA1 GLY 299 -17.396 0.958 -2.629 99 H GLY 300 HN GLY 300 -16.198 -2.055 -3.943 100 HA2 GLY 300 HA2 GLY 300 -17.278 -2.853 -6.040 101 HA3 GLY 300 HA1 GLY 300 -17.084 -1.184 -6.591 102 H PHE 301 HN PHE 301 -15.636 -1.650 -8.232 103 HA PHE 301 HA PHE 301 -13.615 -1.863 -9.212 104 HB2 PHE 301 HB2 PHE 301 -12.557 -1.279 -6.435 105 HB3 PHE 301 HB1 PHE 301 -11.599 -1.237 -7.906 106 HD1 PHE 301 HD1 PHE 301 -14.152 0.471 -5.922 107 HD2 PHE 301 HD2 PHE 301 -11.841 0.586 -9.492 108 HE1 PHE 301 HE1 PHE 301 -14.738 2.837 -6.219 109 HE2 PHE 301 HE2 PHE 301 -12.424 2.954 -9.795 110 HZ PHE 301 HZ PHE 301 -13.874 4.084 -8.159 111 H ALA 557 HN ALA 557 21.163 27.529 7.995 112 HA ALA 557 HA ALA 557 19.944 27.602 6.006 113 HB1 ALA 557 HB1 ALA 557 22.508 26.703 4.682 114 HB2 ALA 557 HB2 ALA 557 21.863 28.347 4.666 115 HB3 ALA 557 HB3 ALA 557 20.981 27.048 3.869 116 H SER 558 HN SER 558 21.570 25.380 7.715 117 HA SER 558 HA SER 558 20.616 23.055 6.299 118 HB2 SER 558 HB2 SER 558 22.877 23.036 7.374 119 HB3 SER 558 HB1 SER 558 22.096 23.191 8.945 120 HG SER 558 HG SER 558 21.688 21.095 7.084 121 H ALA 559 HN ALA 559 18.471 23.175 6.403 122 HA ALA 559 HA ALA 559 17.302 22.834 9.061 123 HB1 ALA 559 HB1 ALA 559 15.155 23.497 8.008 124 HB2 ALA 559 HB2 ALA 559 16.012 23.774 6.487 125 HB3 ALA 559 HB3 ALA 559 16.372 24.771 7.897 126 H SER 560 HN SER 560 17.323 20.719 9.382 127 HA SER 560 HA SER 560 17.356 18.764 7.384 128 HB2 SER 560 HB2 SER 560 16.632 18.523 10.303 129 HB3 SER 560 HB1 SER 560 17.120 17.204 9.234 130 HG SER 560 HG SER 560 19.085 18.429 8.899 131 H TYR 561 HN TYR 561 15.868 17.512 6.524 132 HA TYR 561 HA TYR 561 13.201 18.427 6.600 133 HB2 TYR 561 HB2 TYR 561 12.786 16.252 5.217 134 HB3 TYR 561 HB1 TYR 561 13.705 17.559 4.496 135 HD1 TYR 561 HD1 TYR 561 14.238 14.404 6.412 136 HD2 TYR 561 HD2 TYR 561 15.695 17.049 3.441 137 HE1 TYR 561 HE1 TYR 561 16.035 12.802 5.885 138 HE2 TYR 561 HE2 TYR 561 17.502 15.478 2.907 139 HH TYR 561 HH TYR 561 18.713 13.662 4.011 140 H ASP 562 HN ASP 562 11.800 18.059 8.039 141 HA ASP 562 HA ASP 562 12.378 16.411 10.226 142 HB2 ASP 562 HB2 ASP 562 11.066 18.415 10.536 143 HB3 ASP 562 HB1 ASP 562 9.804 17.779 9.476 144 H SER 563 HN SER 563 11.959 14.442 10.569 145 HA SER 563 HA SER 563 10.030 13.215 8.820 146 HB2 SER 563 HB2 SER 563 12.370 11.815 10.081 147 HB3 SER 563 HB1 SER 563 11.188 11.216 8.896 148 HG SER 563 HG SER 563 12.808 13.472 8.360 149 H GLU 564 HN GLU 564 8.392 13.203 9.983 150 HA GLU 564 HA GLU 564 8.463 12.752 12.862 151 HB2 GLU 564 HB2 GLU 564 7.084 14.574 11.764 152 HB3 GLU 564 HB1 GLU 564 6.101 13.248 11.114 153 HG2 GLU 564 HG2 GLU 564 5.430 12.619 13.308 154 HG3 GLU 564 HG1 GLU 564 6.494 13.834 14.017 155 H GLU 565 HN GLU 565 7.122 11.249 13.714 156 HA GLU 565 HA GLU 565 7.429 8.901 13.948 157 HB2 GLU 565 HB2 GLU 565 5.063 7.920 13.379 158 HB3 GLU 565 HB1 GLU 565 5.271 9.099 14.651 159 HG2 GLU 565 HG2 GLU 565 3.284 9.581 13.391 160 HG3 GLU 565 HG1 GLU 565 4.461 10.856 13.129 161 H GLU 566 HN GLU 566 9.159 8.758 12.385 162 HA GLU 566 HA GLU 566 8.369 7.357 9.967 163 HB2 GLU 566 HB2 GLU 566 9.756 9.383 9.716 164 HB3 GLU 566 HB1 GLU 566 11.015 8.629 10.682 165 HG2 GLU 566 HG2 GLU 566 11.474 8.535 8.272 166 HG3 GLU 566 HG1 GLU 566 11.346 6.932 9.005 167 H GLU 567 HN GLU 567 8.892 5.391 9.597 168 HA GLU 567 HA GLU 567 10.610 3.995 11.494 169 HB2 GLU 567 HB2 GLU 567 7.956 3.212 10.473 170 HB3 GLU 567 HB1 GLU 567 9.150 1.935 10.652 171 HG2 GLU 567 HG2 GLU 567 8.239 3.820 12.805 172 HG3 GLU 567 HG1 GLU 567 7.786 2.119 12.639 173 H GLU 568 HN GLU 568 9.824 4.474 8.207 174 HA GLU 568 HA GLU 568 11.797 2.382 7.501 175 HB2 GLU 568 HB2 GLU 568 9.271 3.092 6.001 176 HB3 GLU 568 HB1 GLU 568 10.452 1.909 5.474 177 HG2 GLU 568 HG2 GLU 568 8.808 1.698 7.999 178 HG3 GLU 568 HG1 GLU 568 8.431 0.893 6.485 179 H GLY 569 HN GLY 569 10.114 4.832 6.049 180 HA2 GLY 569 HA2 GLY 569 10.700 6.812 4.862 181 HA3 GLY 569 HA1 GLY 569 12.288 6.654 5.602 182 H LEU 570 HN LEU 570 10.799 4.198 3.813 183 HA LEU 570 HA LEU 570 13.043 3.968 2.012 184 HB2 LEU 570 HB2 LEU 570 10.663 2.296 2.640 185 HB3 LEU 570 HB1 LEU 570 11.972 1.767 1.564 186 HG LEU 570 HG LEU 570 12.113 2.371 4.514 187 HD11 LEU 570 HD11 LEU 570 12.299 -0.251 2.999 188 HD12 LEU 570 HD12 LEU 570 10.953 0.261 4.014 189 HD13 LEU 570 HD13 LEU 570 12.526 -0.068 4.735 190 HD21 LEU 570 HD21 LEU 570 14.226 2.929 3.454 191 HD22 LEU 570 HD22 LEU 570 14.268 1.365 2.640 192 HD23 LEU 570 HD23 LEU 570 14.411 1.450 4.397 193 HA PRO 571 HA PRO 571 10.550 6.152 -1.070 194 HB2 PRO 571 HB2 PRO 571 12.675 5.130 -2.856 195 HB3 PRO 571 HB1 PRO 571 12.103 6.782 -2.622 196 HG2 PRO 571 HG2 PRO 571 14.463 5.992 -1.650 197 HG3 PRO 571 HG1 PRO 571 13.434 7.129 -0.764 198 HD2 PRO 571 HD2 PRO 571 13.891 4.216 -0.283 199 HD3 PRO 571 HD1 PRO 571 13.667 5.542 0.878 200 H MET 572 HN MET 572 8.926 5.364 -2.194 201 HA MET 572 HA MET 572 9.029 2.569 -3.061 202 HB2 MET 572 HB2 MET 572 6.669 4.363 -2.470 203 HB3 MET 572 HB1 MET 572 6.565 2.734 -3.132 204 HG2 MET 572 HG2 MET 572 7.835 3.371 -0.481 205 HG3 MET 572 HG1 MET 572 6.138 2.936 -0.661 206 HE1 MET 572 HE1 MET 572 6.329 -0.746 -1.931 207 HE2 MET 572 HE2 MET 572 6.166 0.710 -2.911 208 HE3 MET 572 HE3 MET 572 5.286 0.568 -1.392 209 H SER 573 HN SER 573 9.269 2.277 -5.120 210 HA SER 573 HA SER 573 9.233 4.530 -6.920 211 HB2 SER 573 HB2 SER 573 9.590 1.619 -7.649 212 HB3 SER 573 HB1 SER 573 10.226 3.059 -8.449 213 HG SER 573 HG SER 573 10.964 2.004 -5.939 214 H TYR 574 HN TYR 574 8.017 4.485 -8.946 215 HA TYR 574 HA TYR 574 5.290 4.267 -8.466 216 HB2 TYR 574 HB2 TYR 574 6.830 4.547 -11.045 217 HB3 TYR 574 HB1 TYR 574 5.076 4.445 -11.026 218 HD1 TYR 574 HD1 TYR 574 7.603 6.338 -8.964 219 HD2 TYR 574 HD2 TYR 574 4.114 6.513 -11.395 220 HE1 TYR 574 HE1 TYR 574 7.490 8.758 -8.612 221 HE2 TYR 574 HE2 TYR 574 3.990 8.946 -11.035 222 HH TYR 574 HH TYR 574 6.576 10.705 -9.664 223 H ASP 575 HN ASP 575 7.493 1.987 -9.902 224 HA ASP 575 HA ASP 575 5.495 0.124 -10.730 225 HB2 ASP 575 HB2 ASP 575 8.428 -0.318 -10.117 226 HB3 ASP 575 HB1 ASP 575 7.365 -1.606 -10.655 227 H GLU 576 HN GLU 576 7.406 0.426 -7.778 228 HA GLU 576 HA GLU 576 6.534 -1.850 -6.467 229 HB2 GLU 576 HB2 GLU 576 7.307 0.804 -5.260 230 HB3 GLU 576 HB1 GLU 576 7.212 -0.727 -4.403 231 HG2 GLU 576 HG2 GLU 576 8.935 -1.639 -5.899 232 HG3 GLU 576 HG1 GLU 576 9.069 -0.064 -6.656 233 H LYS 577 HN LYS 577 5.315 1.449 -6.269 234 HA LYS 577 HA LYS 577 3.137 0.975 -4.564 235 HB2 LYS 577 HB2 LYS 577 3.588 3.054 -6.649 236 HB3 LYS 577 HB1 LYS 577 2.289 3.149 -5.461 237 HG2 LYS 577 HG2 LYS 577 3.984 3.124 -3.644 238 HG3 LYS 577 HG1 LYS 577 5.250 3.145 -4.870 239 HD2 LYS 577 HD2 LYS 577 3.150 5.302 -4.573 240 HD3 LYS 577 HD1 LYS 577 4.745 5.367 -3.833 241 HE2 LYS 577 HE2 LYS 577 5.779 5.288 -6.046 242 HE3 LYS 577 HE1 LYS 577 4.181 5.189 -6.789 243 HZ1 LYS 577 HZ1 LYS 577 5.077 7.456 -5.096 244 HZ2 LYS 577 HZ2 LYS 577 3.654 7.360 -5.995 245 HZ3 LYS 577 HZ3 LYS 577 5.140 7.468 -6.770 246 H ARG 578 HN ARG 578 3.363 1.033 -8.079 247 HA ARG 578 HA ARG 578 0.655 0.647 -8.685 248 HB2 ARG 578 HB2 ARG 578 2.413 1.218 -10.354 249 HB3 ARG 578 HB1 ARG 578 3.021 -0.424 -10.233 250 HG2 ARG 578 HG2 ARG 578 1.699 -0.282 -12.201 251 HG3 ARG 578 HG1 ARG 578 0.788 -1.231 -11.022 252 HD2 ARG 578 HD2 ARG 578 -0.690 0.325 -12.143 253 HD3 ARG 578 HD1 ARG 578 -0.509 0.800 -10.455 254 HE ARG 578 HE ARG 578 1.425 2.152 -11.886 255 HH11 ARG 578 HH11 ARG 578 -2.118 2.157 -11.749 256 HH12 ARG 578 HH12 ARG 578 -2.291 3.731 -12.354 257 HH21 ARG 578 HH21 ARG 578 1.221 4.268 -12.718 258 HH22 ARG 578 HH22 ARG 578 -0.317 4.993 -12.936 259 H GLN 579 HN GLN 579 3.242 -1.750 -8.211 260 HA GLN 579 HA GLN 579 1.661 -4.037 -8.594 261 HB2 GLN 579 HB2 GLN 579 4.240 -3.658 -8.592 262 HB3 GLN 579 HB1 GLN 579 4.120 -3.871 -6.861 263 HG2 GLN 579 HG2 GLN 579 3.134 -5.913 -8.808 264 HG3 GLN 579 HG1 GLN 579 4.809 -5.848 -8.272 265 HE21 GLN 579 HE21 GLN 579 1.562 -6.689 -7.429 266 HE22 GLN 579 HE22 GLN 579 1.909 -7.357 -5.886 267 H LEU 580 HN LEU 580 2.488 -2.126 -5.776 268 HA LEU 580 HA LEU 580 1.402 -3.696 -3.742 269 HB2 LEU 580 HB2 LEU 580 2.748 -1.401 -3.871 270 HB3 LEU 580 HB1 LEU 580 1.153 -0.729 -3.685 271 HG LEU 580 HG LEU 580 2.604 -2.515 -1.742 272 HD11 LEU 580 HD11 LEU 580 1.841 0.386 -1.585 273 HD12 LEU 580 HD12 LEU 580 3.435 -0.255 -1.928 274 HD13 LEU 580 HD13 LEU 580 2.694 -0.543 -0.344 275 HD21 LEU 580 HD21 LEU 580 0.180 -2.945 -1.658 276 HD22 LEU 580 HD22 LEU 580 -0.126 -1.225 -1.420 277 HD23 LEU 580 HD23 LEU 580 0.751 -2.146 -0.200 278 H SER 581 HN SER 581 -0.108 -1.267 -5.908 279 HA SER 581 HA SER 581 -2.656 -1.293 -4.722 280 HB2 SER 581 HB2 SER 581 -1.819 0.477 -6.281 281 HB3 SER 581 HB1 SER 581 -1.896 -0.684 -7.601 282 HG SER 581 HG SER 581 -4.001 0.468 -6.119 283 H LEU 582 HN LEU 582 -1.087 -3.312 -7.095 284 HA LEU 582 HA LEU 582 -3.374 -4.724 -8.020 285 HB2 LEU 582 HB2 LEU 582 -0.534 -5.728 -7.904 286 HB3 LEU 582 HB1 LEU 582 -1.813 -6.335 -8.927 287 HG LEU 582 HG LEU 582 -0.516 -3.629 -9.138 288 HD11 LEU 582 HD11 LEU 582 0.915 -5.524 -9.802 289 HD12 LEU 582 HD12 LEU 582 0.486 -4.499 -11.170 290 HD13 LEU 582 HD13 LEU 582 -0.331 -6.046 -10.936 291 HD21 LEU 582 HD21 LEU 582 -2.845 -3.539 -9.850 292 HD22 LEU 582 HD22 LEU 582 -2.603 -4.946 -10.883 293 HD23 LEU 582 HD23 LEU 582 -1.775 -3.433 -11.247 294 H ASP 583 HN ASP 583 -1.017 -5.308 -5.448 295 HA ASP 583 HA ASP 583 -2.124 -7.818 -4.703 296 HB2 ASP 583 HB2 ASP 583 -0.323 -5.953 -3.198 297 HB3 ASP 583 HB1 ASP 583 -0.910 -7.466 -2.510 298 H ILE 584 HN ILE 584 -2.799 -4.594 -3.637 299 HA ILE 584 HA ILE 584 -4.652 -5.453 -1.671 300 HB ILE 584 HB ILE 584 -4.406 -2.787 -3.099 301 HG12 ILE 584 HG12 ILE 584 -3.583 -3.767 -0.376 302 HG13 ILE 584 HG11 ILE 584 -2.519 -3.319 -1.705 303 HG21 ILE 584 HG21 ILE 584 -6.721 -3.059 -2.340 304 HG22 ILE 584 HG22 ILE 584 -5.883 -1.845 -1.375 305 HG23 ILE 584 HG23 ILE 584 -6.146 -3.462 -0.723 306 HD11 ILE 584 HD11 ILE 584 -2.554 -1.617 0.010 307 HD12 ILE 584 HD12 ILE 584 -4.314 -1.535 -0.125 308 HD13 ILE 584 HD13 ILE 584 -3.303 -0.994 -1.472 309 H ASN 585 HN ASN 585 -4.862 -4.898 -5.074 310 HA ASN 585 HA ASN 585 -7.689 -5.065 -5.382 311 HB2 ASN 585 HB2 ASN 585 -6.024 -4.200 -7.097 312 HB3 ASN 585 HB1 ASN 585 -5.521 -5.854 -7.360 313 HD21 ASN 585 HD21 ASN 585 -8.318 -6.919 -7.325 314 HD22 ASN 585 HD22 ASN 585 -9.011 -6.385 -8.807 315 H ARG 586 HN ARG 586 -5.087 -7.371 -5.167 316 HA ARG 586 HA ARG 586 -6.518 -9.738 -5.826 317 HB2 ARG 586 HB2 ARG 586 -3.945 -9.251 -4.332 318 HB3 ARG 586 HB1 ARG 586 -4.555 -10.868 -4.609 319 HG2 ARG 586 HG2 ARG 586 -4.364 -10.556 -7.011 320 HG3 ARG 586 HG1 ARG 586 -3.878 -8.876 -6.771 321 HD2 ARG 586 HD2 ARG 586 -1.826 -9.542 -5.732 322 HD3 ARG 586 HD1 ARG 586 -2.341 -11.224 -5.655 323 HE ARG 586 HE ARG 586 -2.413 -10.768 -8.268 324 HH11 ARG 586 HH11 ARG 586 0.147 -9.736 -6.031 325 HH12 ARG 586 HH12 ARG 586 1.412 -10.179 -7.048 326 HH21 ARG 586 HH21 ARG 586 -0.629 -11.332 -9.712 327 HH22 ARG 586 HH22 ARG 586 0.973 -11.102 -9.209 328 H LEU 587 HN LEU 587 -6.135 -7.909 -2.904 329 HA LEU 587 HA LEU 587 -6.964 -10.023 -1.165 330 HB2 LEU 587 HB2 LEU 587 -6.697 -7.083 -0.630 331 HB3 LEU 587 HB1 LEU 587 -7.026 -8.299 0.580 332 HG LEU 587 HG LEU 587 -4.497 -7.927 -0.997 333 HD11 LEU 587 HD11 LEU 587 -4.821 -6.395 0.842 334 HD12 LEU 587 HD12 LEU 587 -3.537 -7.554 1.196 335 HD13 LEU 587 HD13 LEU 587 -5.127 -7.746 1.937 336 HD21 LEU 587 HD21 LEU 587 -4.918 -10.318 -0.771 337 HD22 LEU 587 HD22 LEU 587 -5.210 -10.119 0.958 338 HD23 LEU 587 HD23 LEU 587 -3.603 -9.823 0.294 339 HA PRO 588 HA PRO 588 -11.313 -9.217 -1.450 340 HB2 PRO 588 HB2 PRO 588 -12.112 -10.901 0.475 341 HB3 PRO 588 HB1 PRO 588 -11.483 -11.510 -1.061 342 HG2 PRO 588 HG2 PRO 588 -10.109 -11.262 1.581 343 HG3 PRO 588 HG1 PRO 588 -10.061 -12.595 0.413 344 HD2 PRO 588 HD2 PRO 588 -8.111 -10.689 0.626 345 HD3 PRO 588 HD1 PRO 588 -8.467 -11.575 -0.869 346 H GLY 589 HN GLY 589 -13.048 -8.507 0.044 347 HA2 GLY 589 HA2 GLY 589 -12.423 -6.215 1.459 348 HA3 GLY 589 HA1 GLY 589 -13.925 -7.086 1.602 349 H GLU 590 HN GLU 590 -12.691 -9.480 2.668 350 HA GLU 590 HA GLU 590 -12.817 -8.984 5.414 351 HB2 GLU 590 HB2 GLU 590 -13.088 -11.205 4.301 352 HB3 GLU 590 HB1 GLU 590 -11.351 -11.248 4.057 353 HG2 GLU 590 HG2 GLU 590 -11.038 -11.163 6.490 354 HG3 GLU 590 HG1 GLU 590 -12.789 -11.198 6.696 355 H LYS 591 HN LYS 591 -10.034 -9.140 3.248 356 HA LYS 591 HA LYS 591 -8.143 -8.805 5.431 357 HB2 LYS 591 HB2 LYS 591 -7.748 -8.910 2.441 358 HB3 LYS 591 HB1 LYS 591 -6.436 -8.723 3.587 359 HG2 LYS 591 HG2 LYS 591 -8.271 -11.109 3.353 360 HG3 LYS 591 HG1 LYS 591 -6.609 -11.022 2.774 361 HD2 LYS 591 HD2 LYS 591 -6.042 -11.884 4.766 362 HD3 LYS 591 HD1 LYS 591 -6.382 -10.288 5.425 363 HE2 LYS 591 HE2 LYS 591 -7.575 -11.887 6.750 364 HE3 LYS 591 HE1 LYS 591 -8.754 -11.019 5.768 365 HZ1 LYS 591 HZ1 LYS 591 -8.658 -12.947 4.181 366 HZ2 LYS 591 HZ2 LYS 591 -9.295 -13.311 5.678 367 HZ3 LYS 591 HZ3 LYS 591 -7.713 -13.764 5.315 368 H LEU 592 HN LEU 592 -9.733 -6.922 3.023 369 HA LEU 592 HA LEU 592 -8.099 -4.691 3.001 370 HB2 LEU 592 HB2 LEU 592 -10.913 -5.209 2.313 371 HB3 LEU 592 HB1 LEU 592 -10.404 -3.539 2.435 372 HG LEU 592 HG LEU 592 -8.847 -5.439 0.689 373 HD11 LEU 592 HD11 LEU 592 -10.244 -4.647 -1.183 374 HD12 LEU 592 HD12 LEU 592 -11.320 -3.854 -0.028 375 HD13 LEU 592 HD13 LEU 592 -11.178 -5.614 -0.050 376 HD21 LEU 592 HD21 LEU 592 -7.901 -3.274 1.242 377 HD22 LEU 592 HD22 LEU 592 -9.362 -2.481 0.659 378 HD23 LEU 592 HD23 LEU 592 -8.335 -3.374 -0.465 379 H GLY 593 HN GLY 593 -10.370 -5.705 5.387 380 HA2 GLY 593 HA2 GLY 593 -11.123 -3.308 6.590 381 HA3 GLY 593 HA1 GLY 593 -10.970 -4.838 7.433 382 H ARG 594 HN ARG 594 -8.153 -5.168 7.089 383 HA ARG 594 HA ARG 594 -7.333 -3.457 9.204 384 HB2 ARG 594 HB2 ARG 594 -6.558 -5.677 9.373 385 HB3 ARG 594 HB1 ARG 594 -5.928 -5.695 7.741 386 HG2 ARG 594 HG2 ARG 594 -4.159 -5.602 9.412 387 HG3 ARG 594 HG1 ARG 594 -4.161 -4.172 8.381 388 HD2 ARG 594 HD2 ARG 594 -5.359 -2.939 10.067 389 HD3 ARG 594 HD1 ARG 594 -5.389 -4.363 11.099 390 HE ARG 594 HE ARG 594 -2.758 -4.008 10.612 391 HH11 ARG 594 HH11 ARG 594 -5.233 -1.866 11.963 392 HH12 ARG 594 HH12 ARG 594 -4.130 -0.715 12.536 393 HH21 ARG 594 HH21 ARG 594 -1.231 -2.429 11.462 394 HH22 ARG 594 HH22 ARG 594 -1.790 -1.068 12.313 395 H VAL 595 HN VAL 595 -6.558 -3.717 5.781 396 HA VAL 595 HA VAL 595 -4.444 -1.893 5.972 397 HB VAL 595 HB VAL 595 -4.667 -3.468 4.051 398 HG11 VAL 595 HG11 VAL 595 -6.721 -1.570 2.998 399 HG12 VAL 595 HG12 VAL 595 -7.013 -3.193 3.608 400 HG13 VAL 595 HG13 VAL 595 -6.033 -2.960 2.150 401 HG21 VAL 595 HG21 VAL 595 -3.091 -1.651 3.889 402 HG22 VAL 595 HG22 VAL 595 -4.350 -0.579 3.278 403 HG23 VAL 595 HG23 VAL 595 -3.822 -1.954 2.313 404 H VAL 596 HN VAL 596 -7.870 -1.375 5.560 405 HA VAL 596 HA VAL 596 -7.874 1.354 4.860 406 HB VAL 596 HB VAL 596 -9.807 0.192 6.891 407 HG11 VAL 596 HG11 VAL 596 -11.399 1.756 5.921 408 HG12 VAL 596 HG12 VAL 596 -10.182 2.291 4.782 409 HG13 VAL 596 HG13 VAL 596 -9.963 2.608 6.518 410 HG21 VAL 596 HG21 VAL 596 -11.273 -0.432 5.010 411 HG22 VAL 596 HG22 VAL 596 -9.784 -1.367 5.067 412 HG23 VAL 596 HG23 VAL 596 -9.959 -0.073 3.889 413 H HIS 597 HN HIS 597 -7.412 -0.170 8.020 414 HA HIS 597 HA HIS 597 -7.462 2.291 9.446 415 HB2 HIS 597 HB2 HIS 597 -6.620 -0.511 10.210 416 HB3 HIS 597 HB1 HIS 597 -6.547 0.840 11.333 417 HD1 HIS 597 HD1 HIS 597 -9.103 -1.379 9.538 418 HD2 HIS 597 HD2 HIS 597 -8.947 1.664 12.376 419 HE1 HIS 597 HE1 HIS 597 -11.374 -1.244 10.534 420 H ILE 598 HN ILE 598 -5.047 0.422 7.845 421 HA ILE 598 HA ILE 598 -2.781 1.606 9.045 422 HB ILE 598 HB ILE 598 -2.984 0.372 6.268 423 HG12 ILE 598 HG12 ILE 598 -2.187 -0.903 8.907 424 HG13 ILE 598 HG11 ILE 598 -3.716 -1.164 8.082 425 HG21 ILE 598 HG21 ILE 598 -0.977 1.730 6.569 426 HG22 ILE 598 HG22 ILE 598 -0.542 0.016 6.562 427 HG23 ILE 598 HG23 ILE 598 -0.626 0.900 8.082 428 HD11 ILE 598 HD11 ILE 598 -2.226 -3.025 7.724 429 HD12 ILE 598 HD12 ILE 598 -0.984 -1.950 7.073 430 HD13 ILE 598 HD13 ILE 598 -2.491 -2.189 6.196 431 H ILE 599 HN ILE 599 -4.699 2.420 6.142 432 HA ILE 599 HA ILE 599 -3.105 4.664 5.478 433 HB ILE 599 HB ILE 599 -6.018 4.106 4.748 434 HG12 ILE 599 HG12 ILE 599 -5.122 4.075 2.401 435 HG13 ILE 599 HG11 ILE 599 -3.505 4.221 3.065 436 HG21 ILE 599 HG21 ILE 599 -5.969 6.053 3.248 437 HG22 ILE 599 HG22 ILE 599 -4.402 6.511 3.917 438 HG23 ILE 599 HG23 ILE 599 -5.829 6.506 4.947 439 HD11 ILE 599 HD11 ILE 599 -3.698 2.088 4.096 440 HD12 ILE 599 HD12 ILE 599 -4.141 1.943 2.384 441 HD13 ILE 599 HD13 ILE 599 -5.386 1.980 3.638 442 H GLN 600 HN GLN 600 -5.965 4.321 7.546 443 HA GLN 600 HA GLN 600 -6.416 6.993 8.142 444 HB2 GLN 600 HB2 GLN 600 -6.716 4.697 10.051 445 HB3 GLN 600 HB1 GLN 600 -7.494 6.268 10.183 446 HG2 GLN 600 HG2 GLN 600 -8.467 5.754 7.922 447 HG3 GLN 600 HG1 GLN 600 -7.993 4.083 8.214 448 HE21 GLN 600 HE21 GLN 600 -10.122 6.606 9.015 449 HE22 GLN 600 HE22 GLN 600 -11.170 5.708 10.067 450 H SER 601 HN SER 601 -4.006 4.874 9.392 451 HA SER 601 HA SER 601 -3.183 6.261 11.698 452 HB2 SER 601 HB2 SER 601 -1.594 4.655 9.750 453 HB3 SER 601 HB1 SER 601 -1.079 5.030 11.403 454 HG SER 601 HG SER 601 -3.543 3.690 10.885 455 H ARG 602 HN ARG 602 -2.446 6.703 8.336 456 HA ARG 602 HA ARG 602 -0.442 8.775 8.886 457 HB2 ARG 602 HB2 ARG 602 -0.298 6.820 7.166 458 HB3 ARG 602 HB1 ARG 602 -1.397 7.785 6.216 459 HG2 ARG 602 HG2 ARG 602 1.425 8.503 7.016 460 HG3 ARG 602 HG1 ARG 602 0.881 7.997 5.432 461 HD2 ARG 602 HD2 ARG 602 1.099 10.204 5.152 462 HD3 ARG 602 HD1 ARG 602 -0.612 10.140 5.602 463 HE ARG 602 HE ARG 602 1.177 10.492 7.826 464 HH11 ARG 602 HH11 ARG 602 -0.914 12.223 5.539 465 HH12 ARG 602 HH12 ARG 602 -0.723 13.726 6.324 466 HH21 ARG 602 HH21 ARG 602 1.421 12.570 8.896 467 HH22 ARG 602 HH22 ARG 602 0.611 13.926 8.245 468 H GLU 603 HN GLU 603 -3.455 8.124 7.238 469 HA GLU 603 HA GLU 603 -3.682 10.905 6.522 470 HB2 GLU 603 HB2 GLU 603 -4.691 8.432 5.260 471 HB3 GLU 603 HB1 GLU 603 -5.508 9.946 4.938 472 HG2 GLU 603 HG2 GLU 603 -2.644 9.199 4.366 473 HG3 GLU 603 HG1 GLU 603 -3.910 9.617 3.206 474 HA PRO 604 HA PRO 604 -7.106 10.912 9.252 475 HB2 PRO 604 HB2 PRO 604 -7.021 13.472 9.913 476 HB3 PRO 604 HB1 PRO 604 -5.679 12.336 10.288 477 HG2 PRO 604 HG2 PRO 604 -5.809 14.262 7.995 478 HG3 PRO 604 HG1 PRO 604 -4.555 14.112 9.243 479 HD2 PRO 604 HD2 PRO 604 -4.466 12.835 6.817 480 HD3 PRO 604 HD1 PRO 604 -3.650 12.243 8.285 481 H SER 605 HN SER 605 -6.486 12.037 6.211 482 HA SER 605 HA SER 605 -8.845 13.382 5.480 483 HB2 SER 605 HB2 SER 605 -7.025 11.718 3.718 484 HB3 SER 605 HB1 SER 605 -7.921 13.181 3.292 485 HG SER 605 HG SER 605 -5.428 12.960 4.265 486 H LEU 606 HN LEU 606 -7.724 10.066 5.655 487 HA LEU 606 HA LEU 606 -9.909 8.826 4.349 488 HB2 LEU 606 HB2 LEU 606 -7.608 7.911 4.732 489 HB3 LEU 606 HB1 LEU 606 -7.986 7.674 6.407 490 HG LEU 606 HG LEU 606 -8.106 5.538 5.329 491 HD11 LEU 606 HD11 LEU 606 -10.005 5.956 6.848 492 HD12 LEU 606 HD12 LEU 606 -10.328 4.739 5.611 493 HD13 LEU 606 HD13 LEU 606 -10.981 6.371 5.446 494 HD21 LEU 606 HD21 LEU 606 -8.143 6.283 3.044 495 HD22 LEU 606 HD22 LEU 606 -9.809 6.823 3.222 496 HD23 LEU 606 HD23 LEU 606 -9.427 5.101 3.315 497 H ARG 607 HN ARG 607 -8.975 9.163 7.742 498 HA ARG 607 HA ARG 607 -11.254 8.283 9.067 499 HB2 ARG 607 HB2 ARG 607 -9.455 10.565 9.863 500 HB3 ARG 607 HB1 ARG 607 -10.478 9.629 10.944 501 HG2 ARG 607 HG2 ARG 607 -9.183 7.687 10.630 502 HG3 ARG 607 HG1 ARG 607 -8.267 8.411 9.314 503 HD2 ARG 607 HD2 ARG 607 -6.870 8.490 11.249 504 HD3 ARG 607 HD1 ARG 607 -7.496 10.119 10.967 505 HE ARG 607 HE ARG 607 -9.099 8.631 12.788 506 HH11 ARG 607 HH11 ARG 607 -6.135 10.597 12.596 507 HH12 ARG 607 HH12 ARG 607 -6.240 11.082 14.224 508 HH21 ARG 607 HH21 ARG 607 -9.165 9.274 14.981 509 HH22 ARG 607 HH22 ARG 607 -7.953 10.306 15.615 510 H ASP 608 HN ASP 608 -10.709 11.272 7.401 511 HA ASP 608 HA ASP 608 -12.967 12.697 8.461 512 HB2 ASP 608 HB2 ASP 608 -11.109 13.971 7.560 513 HB3 ASP 608 HB1 ASP 608 -11.279 13.180 5.997 514 H SER 609 HN SER 609 -12.334 10.726 5.674 515 HA SER 609 HA SER 609 -15.011 11.094 4.672 516 HB2 SER 609 HB2 SER 609 -14.056 9.594 2.808 517 HB3 SER 609 HB1 SER 609 -13.323 11.191 3.024 518 HG SER 609 HG SER 609 -11.569 10.332 3.870 519 H ASN 610 HN ASN 610 -15.485 8.481 3.669 520 HA ASN 610 HA ASN 610 -16.297 7.268 6.167 521 HB2 ASN 610 HB2 ASN 610 -16.748 6.197 3.376 522 HB3 ASN 610 HB1 ASN 610 -17.539 5.676 4.844 523 HD21 ASN 610 HD21 ASN 610 -19.148 6.987 5.763 524 HD22 ASN 610 HD22 ASN 610 -19.905 8.220 4.827 525 HA PRO 611 HA PRO 611 -12.812 4.417 6.093 526 HB2 PRO 611 HB2 PRO 611 -13.687 2.776 8.090 527 HB3 PRO 611 HB1 PRO 611 -12.977 4.361 8.418 528 HG2 PRO 611 HG2 PRO 611 -15.855 3.564 8.297 529 HG3 PRO 611 HG1 PRO 611 -15.040 4.617 9.471 530 HD2 PRO 611 HD2 PRO 611 -16.518 5.570 7.388 531 HD3 PRO 611 HD1 PRO 611 -15.107 6.439 8.047 532 H ASP 612 HN ASP 612 -15.983 3.924 5.371 533 HA ASP 612 HA ASP 612 -16.151 1.151 4.711 534 HB2 ASP 612 HB2 ASP 612 -18.122 2.587 5.016 535 HB3 ASP 612 HB1 ASP 612 -17.649 3.530 3.626 536 H GLU 613 HN GLU 613 -15.321 4.069 3.080 537 HA GLU 613 HA GLU 613 -14.538 2.600 0.661 538 HB2 GLU 613 HB2 GLU 613 -16.079 4.548 0.389 539 HB3 GLU 613 HB1 GLU 613 -14.862 5.574 1.129 540 HG2 GLU 613 HG2 GLU 613 -13.327 4.997 -0.743 541 HG3 GLU 613 HG1 GLU 613 -14.663 4.136 -1.507 542 H ILE 614 HN ILE 614 -12.449 2.042 0.806 543 HA ILE 614 HA ILE 614 -10.674 3.834 2.215 544 HB ILE 614 HB ILE 614 -10.408 1.507 2.829 545 HG12 ILE 614 HG12 ILE 614 -8.115 2.580 1.191 546 HG13 ILE 614 HG11 ILE 614 -8.370 2.760 2.920 547 HG21 ILE 614 HG21 ILE 614 -11.244 0.415 0.911 548 HG22 ILE 614 HG22 ILE 614 -9.571 -0.152 1.162 549 HG23 ILE 614 HG23 ILE 614 -9.939 1.096 -0.053 550 HD11 ILE 614 HD11 ILE 614 -6.615 1.111 2.430 551 HD12 ILE 614 HD12 ILE 614 -7.771 0.191 1.483 552 HD13 ILE 614 HD13 ILE 614 -8.005 0.347 3.214 553 H GLU 615 HN GLU 615 -9.924 5.316 1.136 554 HA GLU 615 HA GLU 615 -9.347 4.926 -1.681 555 HB2 GLU 615 HB2 GLU 615 -10.870 6.775 -1.229 556 HB3 GLU 615 HB1 GLU 615 -9.710 7.468 -0.109 557 HG2 GLU 615 HG2 GLU 615 -8.166 7.881 -1.921 558 HG3 GLU 615 HG1 GLU 615 -9.280 7.121 -3.063 559 H ILE 616 HN ILE 616 -7.442 4.225 -1.852 560 HA ILE 616 HA ILE 616 -5.326 5.022 0.012 561 HB ILE 616 HB ILE 616 -5.091 3.019 -2.230 562 HG12 ILE 616 HG12 ILE 616 -5.948 2.400 0.595 563 HG13 ILE 616 HG11 ILE 616 -7.060 2.492 -0.768 564 HG21 ILE 616 HG21 ILE 616 -3.356 2.071 -0.768 565 HG22 ILE 616 HG22 ILE 616 -3.689 3.319 0.431 566 HG23 ILE 616 HG23 ILE 616 -3.026 3.761 -1.142 567 HD11 ILE 616 HD11 ILE 616 -6.474 0.201 -0.258 568 HD12 ILE 616 HD12 ILE 616 -4.767 0.582 -0.480 569 HD13 ILE 616 HD13 ILE 616 -5.875 0.666 -1.851 570 H ASP 617 HN ASP 617 -4.303 6.854 -0.671 571 HA ASP 617 HA ASP 617 -3.684 6.962 -3.516 572 HB2 ASP 617 HB2 ASP 617 -4.959 8.939 -2.814 573 HB3 ASP 617 HB1 ASP 617 -3.800 9.252 -1.527 574 H PHE 618 HN PHE 618 -1.879 6.205 -3.882 575 HA PHE 618 HA PHE 618 0.029 5.633 -1.855 576 HB2 PHE 618 HB2 PHE 618 0.172 5.233 -4.841 577 HB3 PHE 618 HB1 PHE 618 1.374 4.653 -3.702 578 HD1 PHE 618 HD1 PHE 618 1.121 2.579 -2.675 579 HD2 PHE 618 HD2 PHE 618 -2.236 4.353 -4.578 580 HE1 PHE 618 HE1 PHE 618 -0.144 0.501 -2.386 581 HE2 PHE 618 HE2 PHE 618 -3.500 2.271 -4.296 582 HZ PHE 618 HZ PHE 618 -2.456 0.341 -3.195 583 H GLU 619 HN GLU 619 -0.460 8.464 -3.381 584 HA GLU 619 HA GLU 619 2.364 9.120 -3.741 585 HB2 GLU 619 HB2 GLU 619 -0.090 10.746 -4.360 586 HB3 GLU 619 HB1 GLU 619 1.554 11.116 -4.846 587 HG2 GLU 619 HG2 GLU 619 -0.050 8.733 -5.773 588 HG3 GLU 619 HG1 GLU 619 0.204 10.220 -6.684 589 H THR 620 HN THR 620 -0.557 10.176 -2.057 590 HA THR 620 HA THR 620 0.747 12.213 -0.537 591 HB THR 620 HB THR 620 -1.456 12.216 0.746 592 HG1 THR 620 HG1 THR 620 -2.255 10.480 -1.358 593 HG21 THR 620 HG21 THR 620 -1.599 12.479 -2.265 594 HG22 THR 620 HG22 THR 620 -1.013 13.716 -1.162 595 HG23 THR 620 HG23 THR 620 -2.706 13.221 -1.110 596 H LEU 621 HN LEU 621 0.060 8.884 -0.083 597 HA LEU 621 HA LEU 621 0.425 8.633 2.669 598 HB2 LEU 621 HB2 LEU 621 0.856 6.802 0.363 599 HB3 LEU 621 HB1 LEU 621 1.234 6.290 2.000 600 HG LEU 621 HG LEU 621 -1.506 7.215 1.113 601 HD11 LEU 621 HD11 LEU 621 -0.860 5.152 -0.044 602 HD12 LEU 621 HD12 LEU 621 -2.064 4.815 1.208 603 HD13 LEU 621 HD13 LEU 621 -0.357 4.463 1.497 604 HD21 LEU 621 HD21 LEU 621 -0.445 5.805 3.504 605 HD22 LEU 621 HD22 LEU 621 -2.164 6.107 3.198 606 HD23 LEU 621 HD23 LEU 621 -1.063 7.464 3.497 607 H LYS 622 HN LYS 622 2.185 8.011 3.889 608 HA LYS 622 HA LYS 622 4.732 9.075 3.073 609 HB2 LYS 622 HB2 LYS 622 3.827 7.580 5.525 610 HB3 LYS 622 HB1 LYS 622 5.473 8.114 5.258 611 HG2 LYS 622 HG2 LYS 622 4.708 10.440 5.274 612 HG3 LYS 622 HG1 LYS 622 3.048 9.878 5.520 613 HD2 LYS 622 HD2 LYS 622 4.000 10.510 7.652 614 HD3 LYS 622 HD1 LYS 622 3.753 8.769 7.602 615 HE2 LYS 622 HE2 LYS 622 6.189 8.526 6.976 616 HE3 LYS 622 HE1 LYS 622 6.365 10.256 7.270 617 HZ1 LYS 622 HZ1 LYS 622 5.670 8.136 9.206 618 HZ2 LYS 622 HZ2 LYS 622 5.446 9.747 9.541 619 HZ3 LYS 622 HZ3 LYS 622 6.996 9.186 9.246 620 HA PRO 623 HA PRO 623 6.700 5.331 1.555 621 HB2 PRO 623 HB2 PRO 623 8.997 5.411 3.163 622 HB3 PRO 623 HB1 PRO 623 8.807 6.262 1.628 623 HG2 PRO 623 HG2 PRO 623 8.398 7.247 4.421 624 HG3 PRO 623 HG1 PRO 623 9.225 8.056 3.067 625 HD2 PRO 623 HD2 PRO 623 6.788 8.786 3.717 626 HD3 PRO 623 HD1 PRO 623 7.181 8.559 2.001 627 H THR 624 HN THR 624 6.572 5.982 5.011 628 HA THR 624 HA THR 624 7.120 3.527 6.120 629 HB THR 624 HB THR 624 5.157 5.318 7.363 630 HG1 THR 624 HG1 THR 624 7.780 6.378 7.101 631 HG21 THR 624 HG21 THR 624 7.933 4.436 8.078 632 HG22 THR 624 HG22 THR 624 6.469 3.553 8.541 633 HG23 THR 624 HG23 THR 624 6.779 5.178 9.183 634 H THR 625 HN THR 625 3.983 5.206 5.474 635 HA THR 625 HA THR 625 2.334 3.189 6.359 636 HB THR 625 HB THR 625 1.794 5.250 4.269 637 HG1 THR 625 HG1 THR 625 1.877 5.589 7.109 638 HG21 THR 625 HG21 THR 625 -0.044 3.728 4.768 639 HG22 THR 625 HG22 THR 625 -0.410 5.314 5.468 640 HG23 THR 625 HG23 THR 625 0.157 4.004 6.495 641 H LEU 626 HN LEU 626 3.375 4.163 3.108 642 HA LEU 626 HA LEU 626 2.117 2.304 1.547 643 HB2 LEU 626 HB2 LEU 626 4.893 3.433 1.272 644 HB3 LEU 626 HB1 LEU 626 4.086 2.522 0.007 645 HG LEU 626 HG LEU 626 2.967 5.059 1.174 646 HD11 LEU 626 HD11 LEU 626 5.137 5.533 0.109 647 HD12 LEU 626 HD12 LEU 626 3.809 6.167 -0.864 648 HD13 LEU 626 HD13 LEU 626 4.616 4.671 -1.340 649 HD21 LEU 626 HD21 LEU 626 1.658 5.056 -0.882 650 HD22 LEU 626 HD22 LEU 626 1.354 3.618 0.089 651 HD23 LEU 626 HD23 LEU 626 2.386 3.521 -1.341 652 H ARG 627 HN ARG 627 5.243 1.944 3.190 653 HA ARG 627 HA ARG 627 5.806 -0.678 2.359 654 HB2 ARG 627 HB2 ARG 627 7.491 0.830 3.298 655 HB3 ARG 627 HB1 ARG 627 6.663 0.810 4.843 656 HG2 ARG 627 HG2 ARG 627 8.630 -0.587 4.931 657 HG3 ARG 627 HG1 ARG 627 7.182 -1.581 5.073 658 HD2 ARG 627 HD2 ARG 627 7.400 -2.304 2.785 659 HD3 ARG 627 HD1 ARG 627 8.723 -1.159 2.514 660 HE ARG 627 HE ARG 627 9.447 -2.730 4.640 661 HH11 ARG 627 HH11 ARG 627 8.667 -3.439 1.241 662 HH12 ARG 627 HH12 ARG 627 9.884 -4.603 1.069 663 HH21 ARG 627 HH21 ARG 627 11.064 -4.385 4.398 664 HH22 ARG 627 HH22 ARG 627 11.259 -5.176 2.892 665 H GLU 628 HN GLU 628 4.022 0.599 5.136 666 HA GLU 628 HA GLU 628 3.707 -1.831 6.531 667 HB2 GLU 628 HB2 GLU 628 3.410 0.513 7.442 668 HB3 GLU 628 HB1 GLU 628 1.886 0.591 6.580 669 HG2 GLU 628 HG2 GLU 628 1.518 0.113 8.908 670 HG3 GLU 628 HG1 GLU 628 1.035 -1.263 7.917 671 H LEU 629 HN LEU 629 1.814 -0.215 4.016 672 HA LEU 629 HA LEU 629 -0.456 -1.916 3.978 673 HB2 LEU 629 HB2 LEU 629 0.752 -0.742 1.464 674 HB3 LEU 629 HB1 LEU 629 -0.924 -1.115 1.799 675 HG LEU 629 HG LEU 629 0.642 1.178 2.934 676 HD11 LEU 629 HD11 LEU 629 -1.555 1.028 0.886 677 HD12 LEU 629 HD12 LEU 629 0.130 1.458 0.594 678 HD13 LEU 629 HD13 LEU 629 -0.899 2.510 1.570 679 HD21 LEU 629 HD21 LEU 629 -1.022 0.349 4.508 680 HD22 LEU 629 HD22 LEU 629 -2.259 0.452 3.251 681 HD23 LEU 629 HD23 LEU 629 -1.471 1.918 3.845 682 H GLU 630 HN GLU 630 2.491 -1.876 2.039 683 HA GLU 630 HA GLU 630 2.195 -4.137 0.478 684 HB2 GLU 630 HB2 GLU 630 3.979 -2.494 0.194 685 HB3 GLU 630 HB1 GLU 630 4.714 -3.027 1.699 686 HG2 GLU 630 HG2 GLU 630 4.477 -5.352 0.299 687 HG3 GLU 630 HG1 GLU 630 4.857 -4.188 -0.964 688 H ARG 631 HN ARG 631 3.731 -3.746 3.574 689 HA ARG 631 HA ARG 631 4.689 -6.304 3.964 690 HB2 ARG 631 HB2 ARG 631 5.387 -4.240 5.123 691 HB3 ARG 631 HB1 ARG 631 3.863 -4.209 5.965 692 HG2 ARG 631 HG2 ARG 631 4.484 -6.184 7.204 693 HG3 ARG 631 HG1 ARG 631 5.999 -6.308 6.295 694 HD2 ARG 631 HD2 ARG 631 6.620 -4.047 7.071 695 HD3 ARG 631 HD1 ARG 631 5.144 -3.979 8.019 696 HE ARG 631 HE ARG 631 6.510 -6.236 8.816 697 HH11 ARG 631 HH11 ARG 631 6.996 -2.723 8.825 698 HH12 ARG 631 HH12 ARG 631 7.945 -2.684 10.220 699 HH21 ARG 631 HH21 ARG 631 7.879 -6.209 10.763 700 HH22 ARG 631 HH22 ARG 631 8.480 -4.748 11.356 701 H TYR 632 HN TYR 632 1.566 -4.968 4.481 702 HA TYR 632 HA TYR 632 0.639 -7.238 5.984 703 HB2 TYR 632 HB2 TYR 632 -0.338 -5.226 6.605 704 HB3 TYR 632 HB1 TYR 632 -0.796 -4.794 4.947 705 HD1 TYR 632 HD1 TYR 632 -2.845 -5.538 4.060 706 HD2 TYR 632 HD2 TYR 632 -1.469 -7.139 7.744 707 HE1 TYR 632 HE1 TYR 632 -4.958 -6.676 4.321 708 HE2 TYR 632 HE2 TYR 632 -3.618 -8.297 8.051 709 HH TYR 632 HH TYR 632 -5.926 -8.197 7.273 710 H VAL 633 HN VAL 633 0.001 -5.859 2.778 711 HA VAL 633 HA VAL 633 -1.764 -7.807 1.965 712 HB VAL 633 HB VAL 633 -1.412 -7.130 -0.325 713 HG11 VAL 633 HG11 VAL 633 -1.781 -4.724 -0.164 714 HG12 VAL 633 HG12 VAL 633 -1.262 -4.767 1.521 715 HG13 VAL 633 HG13 VAL 633 -2.721 -5.625 1.024 716 HG21 VAL 633 HG21 VAL 633 0.986 -7.021 -0.503 717 HG22 VAL 633 HG22 VAL 633 1.061 -5.713 0.653 718 HG23 VAL 633 HG23 VAL 633 0.342 -5.434 -0.938 719 H LYS 634 HN LYS 634 1.731 -7.803 1.860 720 HA LYS 634 HA LYS 634 1.910 -10.076 0.265 721 HB2 LYS 634 HB2 LYS 634 4.277 -10.004 0.734 722 HB3 LYS 634 HB1 LYS 634 3.640 -8.366 0.579 723 HG2 LYS 634 HG2 LYS 634 3.726 -8.142 2.988 724 HG3 LYS 634 HG1 LYS 634 4.442 -9.756 3.104 725 HD2 LYS 634 HD2 LYS 634 6.185 -9.013 1.493 726 HD3 LYS 634 HD1 LYS 634 5.504 -7.393 1.588 727 HE2 LYS 634 HE2 LYS 634 6.027 -7.511 4.113 728 HE3 LYS 634 HE1 LYS 634 6.917 -8.960 3.713 729 HZ1 LYS 634 HZ1 LYS 634 8.303 -6.895 3.724 730 HZ2 LYS 634 HZ2 LYS 634 7.450 -6.394 2.345 731 HZ3 LYS 634 HZ3 LYS 634 8.368 -7.796 2.305 732 H SER 635 HN SER 635 1.455 -9.668 3.706 733 HA SER 635 HA SER 635 2.220 -12.371 4.293 734 HB2 SER 635 HB2 SER 635 1.187 -11.983 6.566 735 HB3 SER 635 HB1 SER 635 2.390 -10.774 6.135 736 HG SER 635 HG SER 635 0.052 -9.806 5.319 737 H CYS 636 HN CYS 636 -0.527 -10.744 3.263 738 HA CYS 636 HA CYS 636 -2.416 -12.796 3.832 739 HB2 CYS 636 HB2 CYS 636 -2.512 -10.169 2.424 740 HB3 CYS 636 HB1 CYS 636 -3.912 -11.194 2.673 741 HG CYS 636 HG CYS 636 -4.310 -9.495 4.696 742 H LEU 637 HN LEU 637 -0.379 -11.874 1.201 743 HA LEU 637 HA LEU 637 -1.788 -13.375 -0.791 744 HB2 LEU 637 HB2 LEU 637 1.063 -12.464 -0.585 745 HB3 LEU 637 HB1 LEU 637 0.382 -13.200 -2.026 746 HG LEU 637 HG LEU 637 -0.448 -10.540 -0.836 747 HD11 LEU 637 HD11 LEU 637 1.800 -10.521 -1.746 748 HD12 LEU 637 HD12 LEU 637 0.678 -9.579 -2.718 749 HD13 LEU 637 HD13 LEU 637 1.190 -11.177 -3.268 750 HD21 LEU 637 HD21 LEU 637 -1.243 -11.886 -3.428 751 HD22 LEU 637 HD22 LEU 637 -1.690 -10.258 -2.927 752 HD23 LEU 637 HD23 LEU 637 -2.293 -11.642 -2.030 753 H GLN 638 HN GLN 638 0.834 -13.862 1.417 754 HA GLN 638 HA GLN 638 1.348 -16.555 0.525 755 HB2 GLN 638 HB2 GLN 638 2.606 -14.803 2.558 756 HB3 GLN 638 HB1 GLN 638 3.216 -16.411 2.159 757 HG2 GLN 638 HG2 GLN 638 3.611 -15.697 -0.145 758 HG3 GLN 638 HG1 GLN 638 2.923 -14.119 0.234 759 HE21 GLN 638 HE21 GLN 638 4.773 -13.148 -0.448 760 HE22 GLN 638 HE22 GLN 638 6.218 -13.085 0.495 761 H LYS 639 HN LYS 639 -1.144 -16.406 1.539 762 HA LYS 639 HA LYS 639 -1.418 -17.157 4.292 763 HB2 LYS 639 HB2 LYS 639 -3.191 -17.632 1.893 764 HB3 LYS 639 HB1 LYS 639 -3.649 -18.071 3.527 765 HG2 LYS 639 HG2 LYS 639 -3.692 -15.801 4.219 766 HG3 LYS 639 HG1 LYS 639 -2.941 -15.269 2.716 767 HD2 LYS 639 HD2 LYS 639 -5.660 -16.590 2.879 768 HD3 LYS 639 HD1 LYS 639 -5.407 -14.842 2.840 769 HE2 LYS 639 HE2 LYS 639 -4.224 -15.122 0.657 770 HE3 LYS 639 HE1 LYS 639 -4.637 -16.832 0.695 771 HZ1 LYS 639 HZ1 LYS 639 -6.154 -15.509 -0.674 772 HZ2 LYS 639 HZ2 LYS 639 -6.642 -14.628 0.678 773 HZ3 LYS 639 HZ3 LYS 639 -6.956 -16.267 0.586 774 H LYS 640 HN LYS 640 -1.574 -18.972 1.315 775 HA LYS 640 HA LYS 640 -0.053 -21.172 2.017 776 HB2 LYS 640 HB2 LYS 640 -1.854 -22.927 2.130 777 HB3 LYS 640 HB1 LYS 640 -1.892 -21.861 3.521 778 HG2 LYS 640 HG2 LYS 640 -3.775 -20.632 2.503 779 HG3 LYS 640 HG1 LYS 640 -3.742 -21.740 1.138 780 HD2 LYS 640 HD2 LYS 640 -4.296 -22.493 4.017 781 HD3 LYS 640 HD1 LYS 640 -5.495 -22.317 2.735 782 HE2 LYS 640 HE2 LYS 640 -4.420 -24.146 1.494 783 HE3 LYS 640 HE1 LYS 640 -3.249 -24.313 2.802 784 HZ1 LYS 640 HZ1 LYS 640 -5.113 -24.854 4.297 785 HZ2 LYS 640 HZ2 LYS 640 -4.941 -25.934 3.034 786 HZ3 LYS 640 HZ3 LYS 640 -6.173 -24.801 2.978 787 H GLN 641 HN GLN 641 -2.839 -19.927 0.353 788 HA GLN 641 HA GLN 641 -1.552 -20.371 -2.208 789 HB2 GLN 641 HB2 GLN 641 -4.527 -20.558 -1.621 790 HB3 GLN 641 HB1 GLN 641 -3.772 -20.750 -3.180 791 HG2 GLN 641 HG2 GLN 641 -2.751 -22.876 -2.430 792 HG3 GLN 641 HG1 GLN 641 -3.512 -22.619 -0.852 793 HE21 GLN 641 HE21 GLN 641 -5.871 -21.581 -1.821 794 HE22 GLN 641 HE22 GLN 641 -6.841 -22.794 -2.545 795 H ARG 642 HN ARG 642 -2.866 -18.705 -3.674 796 HA ARG 642 HA ARG 642 -2.818 -16.189 -2.209 797 HB2 ARG 642 HB2 ARG 642 -3.277 -16.735 -5.149 798 HB3 ARG 642 HB1 ARG 642 -2.995 -15.155 -4.424 799 HG2 ARG 642 HG2 ARG 642 -0.765 -15.795 -3.780 800 HG3 ARG 642 HG1 ARG 642 -1.039 -17.436 -4.356 801 HD2 ARG 642 HD2 ARG 642 -1.374 -16.556 -6.617 802 HD3 ARG 642 HD1 ARG 642 -1.005 -14.933 -6.027 803 HE ARG 642 HE ARG 642 1.101 -16.390 -5.225 804 HH11 ARG 642 HH11 ARG 642 -0.442 -15.983 -8.383 805 HH12 ARG 642 HH12 ARG 642 1.007 -16.178 -9.267 806 HH21 ARG 642 HH21 ARG 642 3.073 -16.681 -6.455 807 HH22 ARG 642 HH22 ARG 642 3.014 -16.579 -8.163 808 H LYS 643 HN LYS 643 -4.989 -18.181 -4.053 809 HA LYS 643 HA LYS 643 -7.282 -16.833 -2.815 810 HB2 LYS 643 HB2 LYS 643 -7.094 -18.077 -5.565 811 HB3 LYS 643 HB1 LYS 643 -8.584 -17.515 -4.836 812 HG2 LYS 643 HG2 LYS 643 -7.668 -15.217 -4.825 813 HG3 LYS 643 HG1 LYS 643 -6.223 -15.821 -5.642 814 HD2 LYS 643 HD2 LYS 643 -9.042 -16.034 -6.716 815 HD3 LYS 643 HD1 LYS 643 -7.865 -14.820 -7.207 816 HE2 LYS 643 HE2 LYS 643 -6.394 -16.560 -8.068 817 HE3 LYS 643 HE1 LYS 643 -7.507 -17.812 -7.516 818 HZ1 LYS 643 HZ1 LYS 643 -9.137 -17.028 -9.060 819 HZ2 LYS 643 HZ2 LYS 643 -7.715 -17.305 -9.901 820 HZ3 LYS 643 HZ3 LYS 643 -8.172 -15.738 -9.526 821 HA PRO 644 HA PRO 644 -8.089 -20.925 -1.276 822 HB2 PRO 644 HB2 PRO 644 -10.845 -20.924 -1.332 823 HB3 PRO 644 HB1 PRO 644 -9.881 -20.196 -0.043 824 HG2 PRO 644 HG2 PRO 644 -11.209 -18.897 -2.379 825 HG3 PRO 644 HG1 PRO 644 -11.048 -18.317 -0.715 826 HD2 PRO 644 HD2 PRO 644 -9.505 -17.381 -2.718 827 HD3 PRO 644 HD1 PRO 644 -8.903 -17.536 -1.057 Start of MODEL 18 1 H1 LYS 290 HT1 LYS 290 2.543 10.528 -8.869 2 H2 LYS 290 HT2 LYS 290 3.170 10.947 -10.368 3 H3 LYS 290 HT3 LYS 290 1.797 9.957 -10.270 4 HA LYS 290 HA LYS 290 0.610 11.725 -9.159 5 HB2 LYS 290 HB2 LYS 290 2.568 12.852 -8.212 6 HB3 LYS 290 HB1 LYS 290 3.050 13.383 -9.816 7 HG2 LYS 290 HG2 LYS 290 1.057 14.738 -9.986 8 HG3 LYS 290 HG1 LYS 290 0.508 14.168 -8.412 9 HD2 LYS 290 HD2 LYS 290 2.464 15.173 -7.354 10 HD3 LYS 290 HD1 LYS 290 3.040 15.720 -8.927 11 HE2 LYS 290 HE2 LYS 290 1.917 17.506 -7.654 12 HE3 LYS 290 HE1 LYS 290 1.119 17.167 -9.183 13 HZ1 LYS 290 HZ1 LYS 290 0.245 16.119 -6.546 14 HZ2 LYS 290 HZ2 LYS 290 -0.612 15.970 -8.010 15 HZ3 LYS 290 HZ3 LYS 290 -0.388 17.474 -7.295 16 H VAL 291 HN VAL 291 2.491 11.710 -12.231 17 HA VAL 291 HA VAL 291 0.706 13.395 -13.603 18 HB VAL 291 HB VAL 291 2.908 12.850 -14.587 19 HG11 VAL 291 HG11 VAL 291 3.369 10.677 -15.647 20 HG12 VAL 291 HG12 VAL 291 1.887 10.040 -14.934 21 HG13 VAL 291 HG13 VAL 291 3.209 10.573 -13.895 22 HG21 VAL 291 HG21 VAL 291 0.651 11.898 -16.346 23 HG22 VAL 291 HG22 VAL 291 2.246 12.403 -16.911 24 HG23 VAL 291 HG23 VAL 291 1.180 13.567 -16.131 25 H ALA 292 HN ALA 292 0.773 9.958 -13.125 26 HA ALA 292 HA ALA 292 -2.088 9.885 -13.670 27 HB1 ALA 292 HB1 ALA 292 -0.833 8.301 -15.095 28 HB2 ALA 292 HB2 ALA 292 -1.755 7.416 -13.889 29 HB3 ALA 292 HB3 ALA 292 -0.021 7.647 -13.673 30 HA PRO 293 HA PRO 293 -1.307 10.091 -9.201 31 HB2 PRO 293 HB2 PRO 293 -4.181 10.637 -9.005 32 HB3 PRO 293 HB1 PRO 293 -2.821 11.635 -8.490 33 HG2 PRO 293 HG2 PRO 293 -4.334 12.302 -10.617 34 HG3 PRO 293 HG1 PRO 293 -2.599 12.645 -10.539 35 HD2 PRO 293 HD2 PRO 293 -4.028 10.448 -11.987 36 HD3 PRO 293 HD1 PRO 293 -2.660 11.456 -12.513 37 H LEU 294 HN LEU 294 -1.047 8.214 -8.342 38 HA LEU 294 HA LEU 294 -2.990 6.157 -8.759 39 HB2 LEU 294 HB2 LEU 294 -0.687 5.567 -9.033 40 HB3 LEU 294 HB1 LEU 294 -0.277 6.193 -7.462 41 HG LEU 294 HG LEU 294 -1.334 4.305 -6.376 42 HD11 LEU 294 HD11 LEU 294 -2.134 3.379 -9.133 43 HD12 LEU 294 HD12 LEU 294 -3.231 3.896 -7.843 44 HD13 LEU 294 HD13 LEU 294 -2.245 2.440 -7.647 45 HD21 LEU 294 HD21 LEU 294 0.100 2.552 -7.166 46 HD22 LEU 294 HD22 LEU 294 0.951 4.095 -7.176 47 HD23 LEU 294 HD23 LEU 294 0.351 3.407 -8.684 48 H LYS 295 HN LYS 295 -4.558 7.201 -7.782 49 HA LYS 295 HA LYS 295 -4.745 6.829 -4.870 50 HB2 LYS 295 HB2 LYS 295 -6.102 8.913 -6.611 51 HB3 LYS 295 HB1 LYS 295 -6.484 8.625 -4.922 52 HG2 LYS 295 HG2 LYS 295 -4.318 9.385 -4.236 53 HG3 LYS 295 HG1 LYS 295 -3.775 9.487 -5.911 54 HD2 LYS 295 HD2 LYS 295 -4.329 11.692 -4.987 55 HD3 LYS 295 HD1 LYS 295 -5.363 11.268 -6.346 56 HE2 LYS 295 HE2 LYS 295 -6.650 12.331 -4.558 57 HE3 LYS 295 HE1 LYS 295 -7.159 10.664 -4.796 58 HZ1 LYS 295 HZ1 LYS 295 -6.909 11.416 -2.435 59 HZ2 LYS 295 HZ2 LYS 295 -5.216 11.422 -2.685 60 HZ3 LYS 295 HZ3 LYS 295 -6.087 10.006 -2.824 61 H ILE 296 HN ILE 296 -5.604 4.849 -5.001 62 HA ILE 296 HA ILE 296 -7.741 4.426 -6.917 63 HB ILE 296 HB ILE 296 -5.982 2.766 -7.020 64 HG12 ILE 296 HG12 ILE 296 -8.465 1.568 -5.744 65 HG13 ILE 296 HG11 ILE 296 -8.266 1.954 -7.447 66 HG21 ILE 296 HG21 ILE 296 -6.517 2.232 -4.119 67 HG22 ILE 296 HG22 ILE 296 -5.076 2.976 -4.809 68 HG23 ILE 296 HG23 ILE 296 -5.438 1.280 -5.145 69 HD11 ILE 296 HD11 ILE 296 -6.720 -0.123 -5.911 70 HD12 ILE 296 HD12 ILE 296 -6.523 0.253 -7.622 71 HD13 ILE 296 HD13 ILE 296 -8.042 -0.428 -7.039 72 H LYS 297 HN LYS 297 -9.756 4.139 -6.385 73 HA LYS 297 HA LYS 297 -10.582 4.261 -3.585 74 HB2 LYS 297 HB2 LYS 297 -12.044 4.549 -6.203 75 HB3 LYS 297 HB1 LYS 297 -12.901 4.216 -4.709 76 HG2 LYS 297 HG2 LYS 297 -12.159 6.253 -3.750 77 HG3 LYS 297 HG1 LYS 297 -11.164 6.629 -5.179 78 HD2 LYS 297 HD2 LYS 297 -13.135 6.821 -6.536 79 HD3 LYS 297 HD1 LYS 297 -14.144 6.159 -5.254 80 HE2 LYS 297 HE2 LYS 297 -12.717 8.815 -5.225 81 HE3 LYS 297 HE1 LYS 297 -14.452 8.556 -5.392 82 HZ1 LYS 297 HZ1 LYS 297 -14.157 9.049 -3.140 83 HZ2 LYS 297 HZ2 LYS 297 -12.723 8.232 -3.084 84 HZ3 LYS 297 HZ3 LYS 297 -14.174 7.334 -3.119 85 H LEU 298 HN LEU 298 -12.315 2.739 -2.932 86 HA LEU 298 HA LEU 298 -11.369 0.109 -3.558 87 HB2 LEU 298 HB2 LEU 298 -11.974 1.005 -1.274 88 HB3 LEU 298 HB1 LEU 298 -13.638 0.916 -1.751 89 HG LEU 298 HG LEU 298 -12.709 -0.949 -0.266 90 HD11 LEU 298 HD11 LEU 298 -14.124 -1.699 -2.828 91 HD12 LEU 298 HD12 LEU 298 -14.890 -1.115 -1.349 92 HD13 LEU 298 HD13 LEU 298 -14.070 -2.677 -1.362 93 HD21 LEU 298 HD21 LEU 298 -11.631 -2.813 -1.423 94 HD22 LEU 298 HD22 LEU 298 -10.647 -1.353 -1.511 95 HD23 LEU 298 HD23 LEU 298 -11.588 -1.872 -2.908 96 H GLY 299 HN GLY 299 -12.085 -1.032 -5.176 97 HA2 GLY 299 HA2 GLY 299 -14.877 -0.691 -6.053 98 HA3 GLY 299 HA1 GLY 299 -13.547 -0.896 -7.184 99 H GLY 300 HN GLY 300 -13.232 -2.662 -4.319 100 HA2 GLY 300 HA2 GLY 300 -13.697 -5.150 -5.753 101 HA3 GLY 300 HA1 GLY 300 -12.949 -4.977 -4.166 102 H PHE 301 HN PHE 301 -15.391 -6.465 -5.401 103 HA PHE 301 HA PHE 301 -17.186 -5.859 -3.166 104 HB2 PHE 301 HB2 PHE 301 -18.078 -6.269 -6.034 105 HB3 PHE 301 HB1 PHE 301 -19.147 -6.141 -4.644 106 HD1 PHE 301 HD1 PHE 301 -17.494 -4.371 -7.229 107 HD2 PHE 301 HD2 PHE 301 -18.979 -3.964 -3.264 108 HE1 PHE 301 HE1 PHE 301 -17.541 -1.927 -7.500 109 HE2 PHE 301 HE2 PHE 301 -19.034 -1.524 -3.529 110 HZ PHE 301 HZ PHE 301 -18.316 -0.501 -5.647 111 H ALA 557 HN ALA 557 17.334 -8.620 17.495 112 HA ALA 557 HA ALA 557 18.634 -6.989 15.830 113 HB1 ALA 557 HB1 ALA 557 19.536 -6.447 18.660 114 HB2 ALA 557 HB2 ALA 557 18.735 -5.292 17.591 115 HB3 ALA 557 HB3 ALA 557 20.350 -5.889 17.198 116 H SER 558 HN SER 558 20.737 -7.791 15.369 117 HA SER 558 HA SER 558 21.135 -10.438 16.505 118 HB2 SER 558 HB2 SER 558 22.608 -10.706 14.435 119 HB3 SER 558 HB1 SER 558 20.868 -10.572 14.163 120 HG SER 558 HG SER 558 21.100 -8.605 13.375 121 H ALA 559 HN ALA 559 23.386 -8.187 15.014 122 HA ALA 559 HA ALA 559 24.836 -7.780 17.467 123 HB1 ALA 559 HB1 ALA 559 26.960 -8.654 16.590 124 HB2 ALA 559 HB2 ALA 559 26.121 -9.251 15.160 125 HB3 ALA 559 HB3 ALA 559 25.757 -9.931 16.748 126 H SER 560 HN SER 560 24.499 -5.623 17.157 127 HA SER 560 HA SER 560 26.050 -4.402 15.060 128 HB2 SER 560 HB2 SER 560 23.106 -3.794 15.446 129 HB3 SER 560 HB1 SER 560 24.189 -3.004 14.301 130 HG SER 560 HG SER 560 24.493 -5.239 13.433 131 H TYR 561 HN TYR 561 26.487 -2.190 15.563 132 HA TYR 561 HA TYR 561 26.164 -1.491 18.374 133 HB2 TYR 561 HB2 TYR 561 27.689 -0.116 16.148 134 HB3 TYR 561 HB1 TYR 561 27.682 0.413 17.828 135 HD1 TYR 561 HD1 TYR 561 28.860 -2.154 15.484 136 HD2 TYR 561 HD2 TYR 561 28.980 -0.763 19.501 137 HE1 TYR 561 HE1 TYR 561 30.739 -3.652 15.940 138 HE2 TYR 561 HE2 TYR 561 30.876 -2.262 19.961 139 HH TYR 561 HH TYR 561 31.812 -4.316 19.074 140 H ASP 562 HN ASP 562 25.736 -0.026 15.346 141 HA ASP 562 HA ASP 562 23.035 0.791 16.006 142 HB2 ASP 562 HB2 ASP 562 24.340 2.746 16.713 143 HB3 ASP 562 HB1 ASP 562 25.013 2.879 15.074 144 H SER 563 HN SER 563 21.953 0.160 14.447 145 HA SER 563 HA SER 563 22.638 0.749 11.729 146 HB2 SER 563 HB2 SER 563 23.796 -1.494 12.417 147 HB3 SER 563 HB1 SER 563 22.137 -2.124 12.361 148 HG SER 563 HG SER 563 22.176 -2.083 10.282 149 H GLU 564 HN GLU 564 20.799 0.533 10.467 150 HA GLU 564 HA GLU 564 18.375 0.023 12.020 151 HB2 GLU 564 HB2 GLU 564 18.827 2.317 10.154 152 HB3 GLU 564 HB1 GLU 564 17.312 1.922 10.936 153 HG2 GLU 564 HG2 GLU 564 18.184 2.340 13.090 154 HG3 GLU 564 HG1 GLU 564 19.815 2.541 12.457 155 H GLU 565 HN GLU 565 16.849 -0.899 11.025 156 HA GLU 565 HA GLU 565 17.414 -1.996 8.390 157 HB2 GLU 565 HB2 GLU 565 16.817 -3.533 10.243 158 HB3 GLU 565 HB1 GLU 565 15.288 -2.702 10.427 159 HG2 GLU 565 HG2 GLU 565 14.644 -3.440 8.174 160 HG3 GLU 565 HG1 GLU 565 16.171 -4.321 8.049 161 H GLU 566 HN GLU 566 17.043 0.006 7.379 162 HA GLU 566 HA GLU 566 14.494 1.216 7.704 163 HB2 GLU 566 HB2 GLU 566 16.742 1.943 5.845 164 HB3 GLU 566 HB1 GLU 566 15.241 2.847 5.980 165 HG2 GLU 566 HG2 GLU 566 15.747 3.174 8.400 166 HG3 GLU 566 HG1 GLU 566 17.325 2.446 8.104 167 H GLU 567 HN GLU 567 13.084 -0.224 7.075 168 HA GLU 567 HA GLU 567 13.033 -0.969 4.233 169 HB2 GLU 567 HB2 GLU 567 12.848 -2.768 5.936 170 HB3 GLU 567 HB1 GLU 567 11.408 -1.995 6.568 171 HG2 GLU 567 HG2 GLU 567 10.224 -2.453 4.509 172 HG3 GLU 567 HG1 GLU 567 11.683 -3.140 3.799 173 H GLU 568 HN GLU 568 11.539 0.856 6.661 174 HA GLU 568 HA GLU 568 9.293 1.616 4.929 175 HB2 GLU 568 HB2 GLU 568 8.277 2.330 7.094 176 HB3 GLU 568 HB1 GLU 568 8.356 0.589 6.816 177 HG2 GLU 568 HG2 GLU 568 10.522 0.748 8.248 178 HG3 GLU 568 HG1 GLU 568 9.885 2.321 8.734 179 H GLY 569 HN GLY 569 11.926 2.613 4.869 180 HA2 GLY 569 HA2 GLY 569 11.223 5.456 5.076 181 HA3 GLY 569 HA1 GLY 569 12.776 4.897 5.703 182 H LEU 570 HN LEU 570 11.471 3.286 3.019 183 HA LEU 570 HA LEU 570 13.591 4.412 1.337 184 HB2 LEU 570 HB2 LEU 570 12.117 1.796 1.010 185 HB3 LEU 570 HB1 LEU 570 13.480 2.352 0.071 186 HG LEU 570 HG LEU 570 13.526 1.559 2.977 187 HD11 LEU 570 HD11 LEU 570 13.299 -0.325 1.457 188 HD12 LEU 570 HD12 LEU 570 14.891 -0.299 2.219 189 HD13 LEU 570 HD13 LEU 570 14.707 0.236 0.551 190 HD21 LEU 570 HD21 LEU 570 15.965 1.821 2.794 191 HD22 LEU 570 HD22 LEU 570 15.112 3.347 2.587 192 HD23 LEU 570 HD23 LEU 570 15.755 2.499 1.177 193 HA PRO 571 HA PRO 571 10.186 6.130 -1.048 194 HB2 PRO 571 HB2 PRO 571 11.652 6.693 -3.302 195 HB3 PRO 571 HB1 PRO 571 11.576 7.753 -1.892 196 HG2 PRO 571 HG2 PRO 571 13.698 5.809 -2.692 197 HG3 PRO 571 HG1 PRO 571 13.866 7.407 -1.946 198 HD2 PRO 571 HD2 PRO 571 14.118 5.106 -0.549 199 HD3 PRO 571 HD1 PRO 571 13.473 6.594 0.175 200 H MET 572 HN MET 572 8.781 5.055 -2.235 201 HA MET 572 HA MET 572 9.620 2.521 -3.422 202 HB2 MET 572 HB2 MET 572 6.870 3.574 -2.753 203 HB3 MET 572 HB1 MET 572 7.220 1.979 -3.410 204 HG2 MET 572 HG2 MET 572 8.510 1.419 -1.432 205 HG3 MET 572 HG1 MET 572 8.228 3.028 -0.777 206 HE1 MET 572 HE1 MET 572 5.504 0.734 -2.657 207 HE2 MET 572 HE2 MET 572 5.032 -0.232 -1.247 208 HE3 MET 572 HE3 MET 572 6.678 -0.327 -1.868 209 H SER 573 HN SER 573 9.219 1.983 -5.523 210 HA SER 573 HA SER 573 9.231 4.273 -7.265 211 HB2 SER 573 HB2 SER 573 9.598 2.624 -9.044 212 HB3 SER 573 HB1 SER 573 10.692 2.331 -7.692 213 HG SER 573 HG SER 573 9.863 0.408 -8.230 214 H TYR 574 HN TYR 574 7.804 4.203 -9.277 215 HA TYR 574 HA TYR 574 5.129 4.167 -8.466 216 HB2 TYR 574 HB2 TYR 574 4.532 4.573 -10.830 217 HB3 TYR 574 HB1 TYR 574 5.804 5.648 -10.284 218 HD1 TYR 574 HD1 TYR 574 4.876 3.005 -12.606 219 HD2 TYR 574 HD2 TYR 574 8.121 5.334 -11.142 220 HE1 TYR 574 HE1 TYR 574 6.212 2.383 -14.571 221 HE2 TYR 574 HE2 TYR 574 9.457 4.713 -13.099 222 HH TYR 574 HH TYR 574 8.126 3.407 -15.827 223 H ASP 575 HN ASP 575 7.152 1.729 -9.906 224 HA ASP 575 HA ASP 575 5.033 -0.017 -10.637 225 HB2 ASP 575 HB2 ASP 575 7.270 -0.345 -11.577 226 HB3 ASP 575 HB1 ASP 575 7.898 -0.721 -9.972 227 H GLU 576 HN GLU 576 7.124 0.159 -7.728 228 HA GLU 576 HA GLU 576 6.075 -1.938 -6.296 229 HB2 GLU 576 HB2 GLU 576 6.987 0.751 -5.319 230 HB3 GLU 576 HB1 GLU 576 6.697 -0.608 -4.258 231 HG2 GLU 576 HG2 GLU 576 8.428 -1.845 -5.615 232 HG3 GLU 576 HG1 GLU 576 8.780 -0.304 -6.370 233 H LYS 577 HN LYS 577 5.070 1.434 -6.253 234 HA LYS 577 HA LYS 577 2.841 1.245 -4.581 235 HB2 LYS 577 HB2 LYS 577 3.302 3.106 -6.920 236 HB3 LYS 577 HB1 LYS 577 2.110 3.337 -5.656 237 HG2 LYS 577 HG2 LYS 577 3.819 3.760 -4.021 238 HG3 LYS 577 HG1 LYS 577 5.087 3.284 -5.157 239 HD2 LYS 577 HD2 LYS 577 4.451 5.163 -6.633 240 HD3 LYS 577 HD1 LYS 577 3.223 5.650 -5.473 241 HE2 LYS 577 HE2 LYS 577 6.174 5.507 -4.850 242 HE3 LYS 577 HE1 LYS 577 5.369 6.969 -5.402 243 HZ1 LYS 577 HZ1 LYS 577 4.817 5.501 -2.870 244 HZ2 LYS 577 HZ2 LYS 577 3.953 6.850 -3.431 245 HZ3 LYS 577 HZ3 LYS 577 5.560 7.005 -3.039 246 H ARG 578 HN ARG 578 3.050 1.030 -8.127 247 HA ARG 578 HA ARG 578 0.311 0.757 -8.643 248 HB2 ARG 578 HB2 ARG 578 2.029 1.320 -10.343 249 HB3 ARG 578 HB1 ARG 578 2.630 -0.324 -10.255 250 HG2 ARG 578 HG2 ARG 578 1.268 -0.059 -12.221 251 HG3 ARG 578 HG1 ARG 578 0.444 -1.124 -11.073 252 HD2 ARG 578 HD2 ARG 578 -1.080 0.498 -12.125 253 HD3 ARG 578 HD1 ARG 578 -1.002 0.695 -10.376 254 HE ARG 578 HE ARG 578 0.867 2.412 -11.632 255 HH11 ARG 578 HH11 ARG 578 -2.632 2.078 -11.303 256 HH12 ARG 578 HH12 ARG 578 -2.930 3.747 -11.290 257 HH21 ARG 578 HH21 ARG 578 0.452 4.754 -11.592 258 HH22 ARG 578 HH22 ARG 578 -1.154 5.295 -11.487 259 H GLN 579 HN GLN 579 2.803 -1.684 -8.067 260 HA GLN 579 HA GLN 579 1.023 -3.862 -8.503 261 HB2 GLN 579 HB2 GLN 579 3.804 -3.580 -8.128 262 HB3 GLN 579 HB1 GLN 579 3.249 -4.572 -6.793 263 HG2 GLN 579 HG2 GLN 579 2.511 -5.214 -9.636 264 HG3 GLN 579 HG1 GLN 579 4.035 -5.734 -8.946 265 HE21 GLN 579 HE21 GLN 579 1.084 -5.713 -6.976 266 HE22 GLN 579 HE22 GLN 579 0.945 -7.389 -6.873 267 H LEU 580 HN LEU 580 1.999 -1.978 -5.744 268 HA LEU 580 HA LEU 580 0.940 -3.612 -3.721 269 HB2 LEU 580 HB2 LEU 580 2.491 -1.550 -3.670 270 HB3 LEU 580 HB1 LEU 580 1.029 -0.610 -3.732 271 HG LEU 580 HG LEU 580 1.730 -2.529 -1.505 272 HD11 LEU 580 HD11 LEU 580 3.290 -0.701 -1.760 273 HD12 LEU 580 HD12 LEU 580 2.387 -0.580 -0.245 274 HD13 LEU 580 HD13 LEU 580 2.003 0.481 -1.602 275 HD21 LEU 580 HD21 LEU 580 -0.373 -0.348 -1.656 276 HD22 LEU 580 HD22 LEU 580 -0.025 -1.366 -0.260 277 HD23 LEU 580 HD23 LEU 580 -0.684 -2.078 -1.732 278 H SER 581 HN SER 581 -0.477 -1.097 -5.814 279 HA SER 581 HA SER 581 -2.994 -0.932 -4.628 280 HB2 SER 581 HB2 SER 581 -2.028 0.694 -6.240 281 HB3 SER 581 HB1 SER 581 -2.157 -0.516 -7.513 282 HG SER 581 HG SER 581 -4.526 -0.436 -6.585 283 H LEU 582 HN LEU 582 -1.562 -3.112 -6.966 284 HA LEU 582 HA LEU 582 -3.958 -4.466 -7.765 285 HB2 LEU 582 HB2 LEU 582 -1.128 -5.508 -7.811 286 HB3 LEU 582 HB1 LEU 582 -2.469 -6.092 -8.764 287 HG LEU 582 HG LEU 582 -1.111 -3.420 -9.050 288 HD11 LEU 582 HD11 LEU 582 -1.070 -5.860 -10.828 289 HD12 LEU 582 HD12 LEU 582 0.258 -5.300 -9.823 290 HD13 LEU 582 HD13 LEU 582 -0.293 -4.319 -11.182 291 HD21 LEU 582 HD21 LEU 582 -3.447 -3.242 -9.644 292 HD22 LEU 582 HD22 LEU 582 -3.323 -4.669 -10.675 293 HD23 LEU 582 HD23 LEU 582 -2.460 -3.191 -11.102 294 H ASP 583 HN ASP 583 -1.392 -5.082 -5.429 295 HA ASP 583 HA ASP 583 -2.347 -7.591 -4.611 296 HB2 ASP 583 HB2 ASP 583 -0.520 -5.677 -3.168 297 HB3 ASP 583 HB1 ASP 583 -0.906 -7.284 -2.567 298 H ILE 584 HN ILE 584 -3.027 -4.395 -3.345 299 HA ILE 584 HA ILE 584 -4.637 -5.268 -1.198 300 HB ILE 584 HB ILE 584 -4.770 -2.728 -2.828 301 HG12 ILE 584 HG12 ILE 584 -3.704 -3.336 -0.076 302 HG13 ILE 584 HG11 ILE 584 -2.773 -2.890 -1.505 303 HG21 ILE 584 HG21 ILE 584 -6.348 -3.351 -0.325 304 HG22 ILE 584 HG22 ILE 584 -7.007 -3.111 -1.940 305 HG23 ILE 584 HG23 ILE 584 -6.243 -1.768 -1.092 306 HD11 ILE 584 HD11 ILE 584 -4.735 -1.190 -0.038 307 HD12 ILE 584 HD12 ILE 584 -3.828 -0.682 -1.467 308 HD13 ILE 584 HD13 ILE 584 -2.978 -1.032 0.054 309 H ASN 585 HN ASN 585 -5.364 -4.679 -4.584 310 HA ASN 585 HA ASN 585 -8.157 -5.165 -4.281 311 HB2 ASN 585 HB2 ASN 585 -7.276 -3.763 -6.122 312 HB3 ASN 585 HB1 ASN 585 -6.469 -5.173 -6.798 313 HD21 ASN 585 HD21 ASN 585 -7.631 -6.558 -8.058 314 HD22 ASN 585 HD22 ASN 585 -9.294 -6.327 -8.446 315 H ARG 586 HN ARG 586 -5.413 -7.121 -4.685 316 HA ARG 586 HA ARG 586 -6.753 -9.513 -5.499 317 HB2 ARG 586 HB2 ARG 586 -4.028 -9.041 -4.285 318 HB3 ARG 586 HB1 ARG 586 -4.601 -10.630 -4.750 319 HG2 ARG 586 HG2 ARG 586 -4.764 -9.935 -7.060 320 HG3 ARG 586 HG1 ARG 586 -4.323 -8.287 -6.618 321 HD2 ARG 586 HD2 ARG 586 -2.122 -9.027 -5.927 322 HD3 ARG 586 HD1 ARG 586 -2.557 -10.706 -6.235 323 HE ARG 586 HE ARG 586 -3.020 -9.586 -8.591 324 HH11 ARG 586 HH11 ARG 586 -0.181 -9.236 -6.489 325 HH12 ARG 586 HH12 ARG 586 0.940 -9.192 -7.753 326 HH21 ARG 586 HH21 ARG 586 -1.456 -9.394 -10.366 327 HH22 ARG 586 HH22 ARG 586 0.185 -9.227 -10.007 328 H LEU 587 HN LEU 587 -6.465 -7.867 -2.497 329 HA LEU 587 HA LEU 587 -6.970 -10.237 -0.924 330 HB2 LEU 587 HB2 LEU 587 -6.953 -7.339 -0.114 331 HB3 LEU 587 HB1 LEU 587 -6.985 -8.712 0.971 332 HG LEU 587 HG LEU 587 -4.718 -7.826 -0.788 333 HD11 LEU 587 HD11 LEU 587 -3.560 -7.543 1.322 334 HD12 LEU 587 HD12 LEU 587 -5.015 -8.016 2.190 335 HD13 LEU 587 HD13 LEU 587 -5.001 -6.536 1.225 336 HD21 LEU 587 HD21 LEU 587 -4.901 -10.287 0.960 337 HD22 LEU 587 HD22 LEU 587 -3.441 -9.697 0.169 338 HD23 LEU 587 HD23 LEU 587 -4.799 -10.266 -0.802 339 HA PRO 588 HA PRO 588 -11.387 -9.638 -1.002 340 HB2 PRO 588 HB2 PRO 588 -12.104 -11.173 1.083 341 HB3 PRO 588 HB1 PRO 588 -11.464 -11.880 -0.403 342 HG2 PRO 588 HG2 PRO 588 -10.081 -11.363 2.190 343 HG3 PRO 588 HG1 PRO 588 -9.975 -12.766 1.108 344 HD2 PRO 588 HD2 PRO 588 -8.103 -10.735 1.160 345 HD3 PRO 588 HD1 PRO 588 -8.437 -11.775 -0.237 346 H GLY 589 HN GLY 589 -13.178 -8.926 0.399 347 HA2 GLY 589 HA2 GLY 589 -12.640 -6.436 1.531 348 HA3 GLY 589 HA1 GLY 589 -14.147 -7.316 1.687 349 H GLU 590 HN GLU 590 -13.030 -9.531 3.109 350 HA GLU 590 HA GLU 590 -13.215 -8.586 5.744 351 HB2 GLU 590 HB2 GLU 590 -12.393 -10.811 6.437 352 HB3 GLU 590 HB1 GLU 590 -13.743 -10.879 5.314 353 HG2 GLU 590 HG2 GLU 590 -12.265 -11.480 3.524 354 HG3 GLU 590 HG1 GLU 590 -10.860 -11.225 4.562 355 H LYS 591 HN LYS 591 -10.414 -9.099 3.731 356 HA LYS 591 HA LYS 591 -8.588 -8.698 5.934 357 HB2 LYS 591 HB2 LYS 591 -8.115 -9.119 2.989 358 HB3 LYS 591 HB1 LYS 591 -6.845 -8.986 4.198 359 HG2 LYS 591 HG2 LYS 591 -8.913 -11.177 3.957 360 HG3 LYS 591 HG1 LYS 591 -7.178 -11.300 3.673 361 HD2 LYS 591 HD2 LYS 591 -6.904 -10.580 6.112 362 HD3 LYS 591 HD1 LYS 591 -8.626 -10.909 6.283 363 HE2 LYS 591 HE2 LYS 591 -6.483 -12.853 5.460 364 HE3 LYS 591 HE1 LYS 591 -7.334 -12.803 7.007 365 HZ1 LYS 591 HZ1 LYS 591 -8.503 -13.478 4.355 366 HZ2 LYS 591 HZ2 LYS 591 -9.415 -13.388 5.750 367 HZ3 LYS 591 HZ3 LYS 591 -8.200 -14.542 5.593 368 H LEU 592 HN LEU 592 -10.140 -6.882 3.511 369 HA LEU 592 HA LEU 592 -8.307 -4.820 3.177 370 HB2 LEU 592 HB2 LEU 592 -11.136 -5.248 2.590 371 HB3 LEU 592 HB1 LEU 592 -10.652 -3.569 2.717 372 HG LEU 592 HG LEU 592 -9.016 -5.363 0.956 373 HD11 LEU 592 HD11 LEU 592 -10.516 -4.758 -0.920 374 HD12 LEU 592 HD12 LEU 592 -11.694 -4.131 0.247 375 HD13 LEU 592 HD13 LEU 592 -11.275 -5.846 0.227 376 HD21 LEU 592 HD21 LEU 592 -9.854 -2.479 0.844 377 HD22 LEU 592 HD22 LEU 592 -8.749 -3.290 -0.266 378 HD23 LEU 592 HD23 LEU 592 -8.308 -3.094 1.431 379 H GLY 593 HN GLY 593 -10.504 -5.424 5.775 380 HA2 GLY 593 HA2 GLY 593 -10.981 -2.861 6.773 381 HA3 GLY 593 HA1 GLY 593 -10.935 -4.319 7.749 382 H ARG 594 HN ARG 594 -8.183 -4.928 7.242 383 HA ARG 594 HA ARG 594 -7.039 -3.201 9.185 384 HB2 ARG 594 HB2 ARG 594 -6.388 -5.420 9.433 385 HB3 ARG 594 HB1 ARG 594 -6.019 -5.641 7.738 386 HG2 ARG 594 HG2 ARG 594 -4.018 -5.613 9.145 387 HG3 ARG 594 HG1 ARG 594 -4.020 -4.293 7.975 388 HD2 ARG 594 HD2 ARG 594 -4.744 -2.761 9.653 389 HD3 ARG 594 HD1 ARG 594 -4.883 -4.060 10.828 390 HE ARG 594 HE ARG 594 -2.302 -4.229 10.067 391 HH11 ARG 594 HH11 ARG 594 -4.165 -1.484 11.298 392 HH12 ARG 594 HH12 ARG 594 -2.779 -0.542 11.650 393 HH21 ARG 594 HH21 ARG 594 -0.435 -2.922 10.545 394 HH22 ARG 594 HH22 ARG 594 -0.611 -1.364 11.177 395 H VAL 595 HN VAL 595 -6.610 -3.676 5.704 396 HA VAL 595 HA VAL 595 -4.404 -1.919 5.724 397 HB VAL 595 HB VAL 595 -4.671 -3.632 3.923 398 HG11 VAL 595 HG11 VAL 595 -6.741 -1.802 2.782 399 HG12 VAL 595 HG12 VAL 595 -7.023 -3.375 3.510 400 HG13 VAL 595 HG13 VAL 595 -6.079 -3.252 2.017 401 HG21 VAL 595 HG21 VAL 595 -3.846 -2.243 2.073 402 HG22 VAL 595 HG22 VAL 595 -3.089 -1.836 3.613 403 HG23 VAL 595 HG23 VAL 595 -4.357 -0.803 2.952 404 H VAL 596 HN VAL 596 -7.835 -1.414 5.309 405 HA VAL 596 HA VAL 596 -7.740 1.304 4.504 406 HB VAL 596 HB VAL 596 -9.806 0.157 6.427 407 HG11 VAL 596 HG11 VAL 596 -9.926 2.572 6.168 408 HG12 VAL 596 HG12 VAL 596 -11.319 1.784 5.414 409 HG13 VAL 596 HG13 VAL 596 -10.008 2.377 4.411 410 HG21 VAL 596 HG21 VAL 596 -11.190 -0.405 4.477 411 HG22 VAL 596 HG22 VAL 596 -9.691 -1.331 4.512 412 HG23 VAL 596 HG23 VAL 596 -9.857 0.028 3.407 413 H HIS 597 HN HIS 597 -7.419 -0.254 7.630 414 HA HIS 597 HA HIS 597 -7.544 2.068 9.250 415 HB2 HIS 597 HB2 HIS 597 -7.863 -0.433 9.840 416 HB3 HIS 597 HB1 HIS 597 -6.113 -0.500 9.892 417 HD1 HIS 597 HD1 HIS 597 -8.943 0.005 11.977 418 HD2 HIS 597 HD2 HIS 597 -5.066 1.477 11.890 419 HE1 HIS 597 HE1 HIS 597 -8.484 0.872 14.290 420 H ILE 598 HN ILE 598 -5.056 0.411 7.455 421 HA ILE 598 HA ILE 598 -2.823 1.541 8.747 422 HB ILE 598 HB ILE 598 -3.000 0.410 5.926 423 HG12 ILE 598 HG12 ILE 598 -2.067 -0.887 8.499 424 HG13 ILE 598 HG11 ILE 598 -3.634 -1.159 7.756 425 HG21 ILE 598 HG21 ILE 598 -0.613 0.971 7.699 426 HG22 ILE 598 HG22 ILE 598 -1.028 1.834 6.214 427 HG23 ILE 598 HG23 ILE 598 -0.546 0.135 6.150 428 HD11 ILE 598 HD11 ILE 598 -0.937 -1.919 6.623 429 HD12 ILE 598 HD12 ILE 598 -2.467 -2.092 5.773 430 HD13 ILE 598 HD13 ILE 598 -2.192 -2.996 7.253 431 H ILE 599 HN ILE 599 -4.693 2.539 5.892 432 HA ILE 599 HA ILE 599 -3.026 4.778 5.375 433 HB ILE 599 HB ILE 599 -5.945 4.381 4.577 434 HG12 ILE 599 HG12 ILE 599 -4.945 4.361 2.228 435 HG13 ILE 599 HG11 ILE 599 -3.372 4.239 3.003 436 HG21 ILE 599 HG21 ILE 599 -4.131 6.658 3.834 437 HG22 ILE 599 HG22 ILE 599 -5.601 6.743 4.803 438 HG23 ILE 599 HG23 ILE 599 -5.697 6.339 3.086 439 HD11 ILE 599 HD11 ILE 599 -5.621 2.288 3.274 440 HD12 ILE 599 HD12 ILE 599 -4.013 2.136 3.983 441 HD13 ILE 599 HD13 ILE 599 -4.215 2.103 2.229 442 H GLN 600 HN GLN 600 -5.909 4.353 7.356 443 HA GLN 600 HA GLN 600 -6.332 7.022 8.048 444 HB2 GLN 600 HB2 GLN 600 -6.861 4.651 9.844 445 HB3 GLN 600 HB1 GLN 600 -7.590 6.249 9.973 446 HG2 GLN 600 HG2 GLN 600 -8.381 5.846 7.610 447 HG3 GLN 600 HG1 GLN 600 -8.035 4.143 7.906 448 HE21 GLN 600 HE21 GLN 600 -10.049 6.799 8.515 449 HE22 GLN 600 HE22 GLN 600 -11.289 5.987 9.404 450 H SER 601 HN SER 601 -3.978 4.829 9.174 451 HA SER 601 HA SER 601 -3.236 5.959 11.591 452 HB2 SER 601 HB2 SER 601 -2.453 3.774 10.730 453 HB3 SER 601 HB1 SER 601 -1.474 4.609 9.531 454 HG SER 601 HG SER 601 -1.227 4.819 12.343 455 H ARG 602 HN ARG 602 -2.119 6.769 8.277 456 HA ARG 602 HA ARG 602 -0.680 9.031 9.471 457 HB2 ARG 602 HB2 ARG 602 0.603 7.406 8.019 458 HB3 ARG 602 HB1 ARG 602 -0.352 7.952 6.658 459 HG2 ARG 602 HG2 ARG 602 1.230 9.926 8.260 460 HG3 ARG 602 HG1 ARG 602 2.041 8.917 7.071 461 HD2 ARG 602 HD2 ARG 602 0.771 9.804 5.324 462 HD3 ARG 602 HD1 ARG 602 -0.343 10.664 6.407 463 HE ARG 602 HE ARG 602 2.339 11.467 6.835 464 HH11 ARG 602 HH11 ARG 602 -0.401 12.156 4.595 465 HH12 ARG 602 HH12 ARG 602 0.288 13.587 4.039 466 HH21 ARG 602 HH21 ARG 602 3.215 13.509 5.999 467 HH22 ARG 602 HH22 ARG 602 2.335 14.386 4.838 468 H GLU 603 HN GLU 603 -3.305 8.220 7.398 469 HA GLU 603 HA GLU 603 -3.613 11.001 6.617 470 HB2 GLU 603 HB2 GLU 603 -4.480 8.461 5.322 471 HB3 GLU 603 HB1 GLU 603 -5.344 9.956 5.004 472 HG2 GLU 603 HG2 GLU 603 -2.426 9.437 4.515 473 HG3 GLU 603 HG1 GLU 603 -3.699 9.557 3.292 474 HA PRO 604 HA PRO 604 -6.981 10.694 9.443 475 HB2 PRO 604 HB2 PRO 604 -7.003 13.231 10.255 476 HB3 PRO 604 HB1 PRO 604 -5.673 12.106 10.663 477 HG2 PRO 604 HG2 PRO 604 -5.718 14.185 8.506 478 HG3 PRO 604 HG1 PRO 604 -4.485 13.906 9.753 479 HD2 PRO 604 HD2 PRO 604 -4.363 12.876 7.213 480 HD3 PRO 604 HD1 PRO 604 -3.572 12.139 8.624 481 H SER 605 HN SER 605 -6.460 12.177 6.496 482 HA SER 605 HA SER 605 -8.751 13.713 6.030 483 HB2 SER 605 HB2 SER 605 -7.190 12.180 3.971 484 HB3 SER 605 HB1 SER 605 -7.901 13.792 3.844 485 HG SER 605 HG SER 605 -5.431 13.126 4.558 486 H LEU 606 HN LEU 606 -7.944 10.335 5.779 487 HA LEU 606 HA LEU 606 -10.278 9.707 4.278 488 HB2 LEU 606 HB2 LEU 606 -8.245 8.523 3.804 489 HB3 LEU 606 HB1 LEU 606 -8.106 7.983 5.458 490 HG LEU 606 HG LEU 606 -10.468 7.101 3.782 491 HD11 LEU 606 HD11 LEU 606 -8.465 6.649 2.430 492 HD12 LEU 606 HD12 LEU 606 -9.154 5.152 3.080 493 HD13 LEU 606 HD13 LEU 606 -7.721 5.855 3.820 494 HD21 LEU 606 HD21 LEU 606 -10.527 5.272 5.270 495 HD22 LEU 606 HD22 LEU 606 -10.105 6.669 6.316 496 HD23 LEU 606 HD23 LEU 606 -8.868 5.561 5.760 497 H ARG 607 HN ARG 607 -9.329 9.648 7.601 498 HA ARG 607 HA ARG 607 -11.261 8.033 8.804 499 HB2 ARG 607 HB2 ARG 607 -10.158 10.625 9.829 500 HB3 ARG 607 HB1 ARG 607 -10.942 9.383 10.797 501 HG2 ARG 607 HG2 ARG 607 -9.167 7.893 10.458 502 HG3 ARG 607 HG1 ARG 607 -8.404 8.928 9.249 503 HD2 ARG 607 HD2 ARG 607 -8.321 10.701 11.107 504 HD3 ARG 607 HD1 ARG 607 -8.783 9.423 12.220 505 HE ARG 607 HE ARG 607 -6.521 8.579 10.796 506 HH11 ARG 607 HH11 ARG 607 -7.360 10.842 13.412 507 HH12 ARG 607 HH12 ARG 607 -5.765 10.969 13.969 508 HH21 ARG 607 HH21 ARG 607 -4.394 8.757 11.566 509 HH22 ARG 607 HH22 ARG 607 -4.005 9.745 12.892 510 H ASP 608 HN ASP 608 -11.573 11.184 7.407 511 HA ASP 608 HA ASP 608 -14.110 11.727 8.649 512 HB2 ASP 608 HB2 ASP 608 -12.654 13.172 6.431 513 HB3 ASP 608 HB1 ASP 608 -14.155 13.731 7.162 514 H SER 609 HN SER 609 -13.220 9.706 6.249 515 HA SER 609 HA SER 609 -15.828 9.819 4.938 516 HB2 SER 609 HB2 SER 609 -13.212 8.580 3.996 517 HB3 SER 609 HB1 SER 609 -14.725 8.610 3.091 518 HG SER 609 HG SER 609 -14.604 10.885 3.122 519 H ASN 610 HN ASN 610 -16.469 7.453 4.305 520 HA ASN 610 HA ASN 610 -16.371 5.941 6.750 521 HB2 ASN 610 HB2 ASN 610 -17.841 5.508 4.154 522 HB3 ASN 610 HB1 ASN 610 -17.843 4.324 5.450 523 HD21 ASN 610 HD21 ASN 610 -18.877 7.493 4.476 524 HD22 ASN 610 HD22 ASN 610 -20.035 7.709 5.735 525 HA PRO 611 HA PRO 611 -12.977 3.352 5.653 526 HB2 PRO 611 HB2 PRO 611 -13.622 1.091 7.079 527 HB3 PRO 611 HB1 PRO 611 -12.917 2.540 7.796 528 HG2 PRO 611 HG2 PRO 611 -15.758 1.648 7.740 529 HG3 PRO 611 HG1 PRO 611 -14.856 2.418 9.051 530 HD2 PRO 611 HD2 PRO 611 -16.601 3.763 7.486 531 HD3 PRO 611 HD1 PRO 611 -15.162 4.537 8.184 532 H ASP 612 HN ASP 612 -16.104 2.682 4.781 533 HA ASP 612 HA ASP 612 -15.902 0.217 3.366 534 HB2 ASP 612 HB2 ASP 612 -17.998 1.530 3.930 535 HB3 ASP 612 HB1 ASP 612 -17.581 2.600 2.614 536 H GLU 613 HN GLU 613 -15.069 3.485 2.791 537 HA GLU 613 HA GLU 613 -14.088 2.899 0.103 538 HB2 GLU 613 HB2 GLU 613 -15.564 4.876 0.257 539 HB3 GLU 613 HB1 GLU 613 -14.504 5.572 1.489 540 HG2 GLU 613 HG2 GLU 613 -14.069 6.637 -0.591 541 HG3 GLU 613 HG1 GLU 613 -12.704 5.582 -0.224 542 H ILE 614 HN ILE 614 -12.008 2.842 -0.233 543 HA ILE 614 HA ILE 614 -10.259 3.954 1.767 544 HB ILE 614 HB ILE 614 -10.219 1.571 2.240 545 HG12 ILE 614 HG12 ILE 614 -7.741 2.507 0.790 546 HG13 ILE 614 HG11 ILE 614 -8.100 2.684 2.506 547 HG21 ILE 614 HG21 ILE 614 -11.000 0.577 0.290 548 HG22 ILE 614 HG22 ILE 614 -9.322 -0.008 0.456 549 HG23 ILE 614 HG23 ILE 614 -9.717 1.333 -0.650 550 HD11 ILE 614 HD11 ILE 614 -7.647 0.082 1.068 551 HD12 ILE 614 HD12 ILE 614 -7.940 0.265 2.792 552 HD13 ILE 614 HD13 ILE 614 -6.464 0.910 2.072 553 H GLU 615 HN GLU 615 -9.306 5.417 0.830 554 HA GLU 615 HA GLU 615 -8.669 5.171 -1.998 555 HB2 GLU 615 HB2 GLU 615 -8.711 7.684 -0.330 556 HB3 GLU 615 HB1 GLU 615 -8.453 7.589 -2.064 557 HG2 GLU 615 HG2 GLU 615 -10.737 6.677 -2.291 558 HG3 GLU 615 HG1 GLU 615 -10.978 6.963 -0.569 559 H ILE 616 HN ILE 616 -6.758 4.261 -2.035 560 HA ILE 616 HA ILE 616 -4.819 5.025 -0.031 561 HB ILE 616 HB ILE 616 -4.245 3.164 -2.368 562 HG12 ILE 616 HG12 ILE 616 -4.453 1.334 -0.520 563 HG13 ILE 616 HG11 ILE 616 -5.433 2.517 0.330 564 HG21 ILE 616 HG21 ILE 616 -2.447 2.353 -0.920 565 HG22 ILE 616 HG22 ILE 616 -2.922 3.514 0.320 566 HG23 ILE 616 HG23 ILE 616 -2.302 4.083 -1.230 567 HD11 ILE 616 HD11 ILE 616 -7.010 2.538 -1.564 568 HD12 ILE 616 HD12 ILE 616 -6.818 0.937 -0.861 569 HD13 ILE 616 HD13 ILE 616 -6.009 1.327 -2.374 570 H ASP 617 HN ASP 617 -3.870 6.852 -0.305 571 HA ASP 617 HA ASP 617 -3.463 7.932 -2.973 572 HB2 ASP 617 HB2 ASP 617 -4.351 9.345 -1.066 573 HB3 ASP 617 HB1 ASP 617 -2.781 9.182 -0.294 574 H PHE 618 HN PHE 618 -1.810 6.734 -3.824 575 HA PHE 618 HA PHE 618 0.453 6.011 -2.261 576 HB2 PHE 618 HB2 PHE 618 -0.129 5.766 -5.192 577 HB3 PHE 618 HB1 PHE 618 1.387 5.247 -4.473 578 HD1 PHE 618 HD1 PHE 618 -2.242 4.568 -4.650 579 HD2 PHE 618 HD2 PHE 618 1.532 3.270 -3.206 580 HE1 PHE 618 HE1 PHE 618 -3.179 2.338 -4.180 581 HE2 PHE 618 HE2 PHE 618 0.591 1.072 -2.729 582 HZ PHE 618 HZ PHE 618 -1.761 0.598 -3.223 583 H GLU 619 HN GLU 619 -0.336 8.899 -3.613 584 HA GLU 619 HA GLU 619 2.310 9.620 -4.529 585 HB2 GLU 619 HB2 GLU 619 -0.047 11.420 -3.998 586 HB3 GLU 619 HB1 GLU 619 1.378 11.795 -4.945 587 HG2 GLU 619 HG2 GLU 619 -0.793 9.856 -5.612 588 HG3 GLU 619 HG1 GLU 619 -0.519 11.445 -6.322 589 H THR 620 HN THR 620 0.043 10.582 -1.972 590 HA THR 620 HA THR 620 2.025 12.254 -0.793 591 HB THR 620 HB THR 620 -0.721 11.831 0.317 592 HG1 THR 620 HG1 THR 620 -1.092 12.038 -1.917 593 HG21 THR 620 HG21 THR 620 1.067 14.113 -0.249 594 HG22 THR 620 HG22 THR 620 0.864 13.355 1.351 595 HG23 THR 620 HG23 THR 620 -0.485 14.240 0.574 596 H LEU 621 HN LEU 621 0.718 9.083 -0.238 597 HA LEU 621 HA LEU 621 1.190 8.893 2.514 598 HB2 LEU 621 HB2 LEU 621 0.995 6.942 0.317 599 HB3 LEU 621 HB1 LEU 621 1.538 6.370 1.893 600 HG LEU 621 HG LEU 621 -1.124 7.714 1.343 601 HD11 LEU 621 HD11 LEU 621 -0.943 5.487 0.317 602 HD12 LEU 621 HD12 LEU 621 -2.055 5.486 1.685 603 HD13 LEU 621 HD13 LEU 621 -0.426 4.826 1.871 604 HD21 LEU 621 HD21 LEU 621 -1.651 6.908 3.598 605 HD22 LEU 621 HD22 LEU 621 -0.317 8.073 3.612 606 HD23 LEU 621 HD23 LEU 621 0.015 6.333 3.739 607 H LYS 622 HN LYS 622 2.841 8.130 3.703 608 HA LYS 622 HA LYS 622 5.478 8.640 2.593 609 HB2 LYS 622 HB2 LYS 622 4.550 8.145 5.430 610 HB3 LYS 622 HB1 LYS 622 6.178 8.614 4.968 611 HG2 LYS 622 HG2 LYS 622 5.353 10.716 4.092 612 HG3 LYS 622 HG1 LYS 622 3.702 10.249 4.492 613 HD2 LYS 622 HD2 LYS 622 4.536 11.748 6.159 614 HD3 LYS 622 HD1 LYS 622 4.343 10.151 6.870 615 HE2 LYS 622 HE2 LYS 622 6.726 9.751 6.709 616 HE3 LYS 622 HE1 LYS 622 6.955 11.284 5.865 617 HZ1 LYS 622 HZ1 LYS 622 5.960 10.986 8.645 618 HZ2 LYS 622 HZ2 LYS 622 6.220 12.444 7.837 619 HZ3 LYS 622 HZ3 LYS 622 7.522 11.440 8.201 620 HA PRO 623 HA PRO 623 6.895 4.462 2.174 621 HB2 PRO 623 HB2 PRO 623 9.193 4.474 3.782 622 HB3 PRO 623 HB1 PRO 623 9.113 4.979 2.100 623 HG2 PRO 623 HG2 PRO 623 8.953 6.646 4.575 624 HG3 PRO 623 HG1 PRO 623 9.833 6.965 3.071 625 HD2 PRO 623 HD2 PRO 623 7.554 8.219 3.528 626 HD3 PRO 623 HD1 PRO 623 7.870 7.546 1.919 627 H THR 624 HN THR 624 6.595 5.704 5.448 628 HA THR 624 HA THR 624 6.827 3.311 6.823 629 HB THR 624 HB THR 624 5.485 4.664 8.546 630 HG1 THR 624 HG1 THR 624 4.947 6.648 8.011 631 HG21 THR 624 HG21 THR 624 8.056 5.791 7.420 632 HG22 THR 624 HG22 THR 624 7.950 4.414 8.492 633 HG23 THR 624 HG23 THR 624 7.469 6.021 9.075 634 H THR 625 HN THR 625 3.948 5.134 5.851 635 HA THR 625 HA THR 625 2.198 3.089 6.615 636 HB THR 625 HB THR 625 1.794 5.398 4.738 637 HG1 THR 625 HG1 THR 625 1.945 5.167 7.534 638 HG21 THR 625 HG21 THR 625 -0.542 5.288 5.549 639 HG22 THR 625 HG22 THR 625 -0.120 3.892 6.541 640 HG23 THR 625 HG23 THR 625 -0.056 3.777 4.780 641 H LEU 626 HN LEU 626 3.518 4.170 3.498 642 HA LEU 626 HA LEU 626 2.114 2.494 1.834 643 HB2 LEU 626 HB2 LEU 626 4.897 3.564 1.604 644 HB3 LEU 626 HB1 LEU 626 4.176 2.595 0.340 645 HG LEU 626 HG LEU 626 3.003 5.164 1.345 646 HD11 LEU 626 HD11 LEU 626 3.920 6.129 -0.744 647 HD12 LEU 626 HD12 LEU 626 4.721 4.596 -1.088 648 HD13 LEU 626 HD13 LEU 626 5.205 5.548 0.313 649 HD21 LEU 626 HD21 LEU 626 2.449 3.462 -1.083 650 HD22 LEU 626 HD22 LEU 626 1.754 5.052 -0.782 651 HD23 LEU 626 HD23 LEU 626 1.375 3.713 0.297 652 H ARG 627 HN ARG 627 5.240 1.869 3.423 653 HA ARG 627 HA ARG 627 5.503 -0.723 2.367 654 HB2 ARG 627 HB2 ARG 627 7.360 0.682 3.352 655 HB3 ARG 627 HB1 ARG 627 6.679 0.292 4.931 656 HG2 ARG 627 HG2 ARG 627 8.534 -1.179 4.532 657 HG3 ARG 627 HG1 ARG 627 7.056 -2.132 4.401 658 HD2 ARG 627 HD2 ARG 627 8.537 -2.766 2.600 659 HD3 ARG 627 HD1 ARG 627 7.182 -1.881 1.904 660 HE ARG 627 HE ARG 627 9.494 -0.299 2.566 661 HH11 ARG 627 HH11 ARG 627 8.005 -2.228 -0.069 662 HH12 ARG 627 HH12 ARG 627 8.815 -1.374 -1.305 663 HH21 ARG 627 HH21 ARG 627 10.580 0.829 0.814 664 HH22 ARG 627 HH22 ARG 627 10.314 0.357 -0.794 665 H GLU 628 HN GLU 628 3.925 0.582 5.265 666 HA GLU 628 HA GLU 628 3.564 -1.915 6.537 667 HB2 GLU 628 HB2 GLU 628 3.279 0.276 7.721 668 HB3 GLU 628 HB1 GLU 628 1.811 0.549 6.804 669 HG2 GLU 628 HG2 GLU 628 0.697 -1.257 7.879 670 HG3 GLU 628 HG1 GLU 628 2.189 -1.819 8.624 671 H LEU 629 HN LEU 629 1.661 -0.148 4.181 672 HA LEU 629 HA LEU 629 -0.595 -1.809 3.923 673 HB2 LEU 629 HB2 LEU 629 0.919 -0.643 1.583 674 HB3 LEU 629 HB1 LEU 629 -0.780 -1.035 1.667 675 HG LEU 629 HG LEU 629 0.545 1.237 3.135 676 HD11 LEU 629 HD11 LEU 629 -0.554 2.652 1.489 677 HD12 LEU 629 HD12 LEU 629 -1.170 1.224 0.662 678 HD13 LEU 629 HD13 LEU 629 0.564 1.534 0.704 679 HD21 LEU 629 HD21 LEU 629 -1.459 0.384 4.230 680 HD22 LEU 629 HD22 LEU 629 -2.349 0.565 2.710 681 HD23 LEU 629 HD23 LEU 629 -1.700 1.985 3.535 682 H GLU 630 HN GLU 630 2.465 -1.810 2.200 683 HA GLU 630 HA GLU 630 2.107 -4.046 0.639 684 HB2 GLU 630 HB2 GLU 630 3.794 -2.362 0.215 685 HB3 GLU 630 HB1 GLU 630 4.669 -2.853 1.658 686 HG2 GLU 630 HG2 GLU 630 5.067 -5.031 0.693 687 HG3 GLU 630 HG1 GLU 630 4.138 -4.581 -0.730 688 H ARG 631 HN ARG 631 3.619 -3.739 3.795 689 HA ARG 631 HA ARG 631 4.598 -6.370 4.003 690 HB2 ARG 631 HB2 ARG 631 3.887 -4.394 6.173 691 HB3 ARG 631 HB1 ARG 631 4.678 -5.931 6.490 692 HG2 ARG 631 HG2 ARG 631 6.627 -5.282 5.343 693 HG3 ARG 631 HG1 ARG 631 5.814 -3.908 4.599 694 HD2 ARG 631 HD2 ARG 631 7.279 -3.139 6.367 695 HD3 ARG 631 HD1 ARG 631 5.604 -2.848 6.804 696 HE ARG 631 HE ARG 631 6.328 -5.279 7.910 697 HH11 ARG 631 HH11 ARG 631 7.144 -1.843 8.239 698 HH12 ARG 631 HH12 ARG 631 7.794 -1.965 9.782 699 HH21 ARG 631 HH21 ARG 631 7.200 -5.475 10.107 700 HH22 ARG 631 HH22 ARG 631 7.787 -4.072 10.882 701 H TYR 632 HN TYR 632 1.537 -5.019 4.640 702 HA TYR 632 HA TYR 632 0.632 -7.373 6.010 703 HB2 TYR 632 HB2 TYR 632 -0.367 -5.425 6.782 704 HB3 TYR 632 HB1 TYR 632 -0.807 -4.867 5.154 705 HD1 TYR 632 HD1 TYR 632 -2.845 -5.526 4.182 706 HD2 TYR 632 HD2 TYR 632 -1.531 -7.459 7.733 707 HE1 TYR 632 HE1 TYR 632 -4.962 -6.714 4.295 708 HE2 TYR 632 HE2 TYR 632 -3.670 -8.660 7.877 709 HH TYR 632 HH TYR 632 -5.994 -8.334 7.054 710 H VAL 633 HN VAL 633 0.003 -5.798 2.897 711 HA VAL 633 HA VAL 633 -1.735 -7.765 2.011 712 HB VAL 633 HB VAL 633 -1.467 -6.976 -0.254 713 HG11 VAL 633 HG11 VAL 633 -2.820 -5.585 1.194 714 HG12 VAL 633 HG12 VAL 633 -1.985 -4.608 -0.008 715 HG13 VAL 633 HG13 VAL 633 -1.390 -4.657 1.653 716 HG21 VAL 633 HG21 VAL 633 0.934 -5.493 0.758 717 HG22 VAL 633 HG22 VAL 633 0.200 -5.165 -0.812 718 HG23 VAL 633 HG23 VAL 633 0.914 -6.746 -0.473 719 H LYS 634 HN LYS 634 1.796 -7.615 1.814 720 HA LYS 634 HA LYS 634 1.949 -9.848 0.146 721 HB2 LYS 634 HB2 LYS 634 4.340 -9.720 0.458 722 HB3 LYS 634 HB1 LYS 634 3.669 -8.093 0.491 723 HG2 LYS 634 HG2 LYS 634 3.895 -7.988 2.851 724 HG3 LYS 634 HG1 LYS 634 4.537 -9.632 2.902 725 HD2 LYS 634 HD2 LYS 634 6.378 -8.907 1.365 726 HD3 LYS 634 HD1 LYS 634 5.746 -7.271 1.440 727 HE2 LYS 634 HE2 LYS 634 7.589 -7.386 2.931 728 HE3 LYS 634 HE1 LYS 634 6.132 -7.331 3.905 729 HZ1 LYS 634 HZ1 LYS 634 7.689 -9.771 3.292 730 HZ2 LYS 634 HZ2 LYS 634 6.295 -9.728 4.232 731 HZ3 LYS 634 HZ3 LYS 634 7.685 -8.934 4.752 732 H SER 635 HN SER 635 1.785 -9.502 3.644 733 HA SER 635 HA SER 635 2.342 -12.228 4.225 734 HB2 SER 635 HB2 SER 635 2.460 -10.433 5.946 735 HB3 SER 635 HB1 SER 635 0.726 -10.190 5.800 736 HG SER 635 HG SER 635 1.823 -12.701 6.455 737 H CYS 636 HN CYS 636 -0.482 -10.397 3.398 738 HA CYS 636 HA CYS 636 -2.365 -12.464 4.004 739 HB2 CYS 636 HB2 CYS 636 -2.683 -9.948 4.219 740 HB3 CYS 636 HB1 CYS 636 -2.831 -9.920 2.469 741 HG CYS 636 HG CYS 636 -5.195 -9.988 4.356 742 H LEU 637 HN LEU 637 -0.432 -11.601 1.346 743 HA LEU 637 HA LEU 637 -1.992 -12.972 -0.633 744 HB2 LEU 637 HB2 LEU 637 0.864 -12.073 -0.557 745 HB3 LEU 637 HB1 LEU 637 0.165 -12.865 -1.959 746 HG LEU 637 HG LEU 637 -0.683 -10.205 -0.803 747 HD11 LEU 637 HD11 LEU 637 0.863 -10.898 -3.276 748 HD12 LEU 637 HD12 LEU 637 1.493 -10.101 -1.834 749 HD13 LEU 637 HD13 LEU 637 0.293 -9.289 -2.840 750 HD21 LEU 637 HD21 LEU 637 -2.030 -9.984 -2.840 751 HD22 LEU 637 HD22 LEU 637 -2.560 -11.352 -1.867 752 HD23 LEU 637 HD23 LEU 637 -1.586 -11.623 -3.316 753 H GLN 638 HN GLN 638 0.804 -13.693 1.384 754 HA GLN 638 HA GLN 638 1.239 -16.282 0.373 755 HB2 GLN 638 HB2 GLN 638 1.888 -15.122 3.024 756 HB3 GLN 638 HB1 GLN 638 2.527 -16.659 2.448 757 HG2 GLN 638 HG2 GLN 638 3.571 -15.412 0.554 758 HG3 GLN 638 HG1 GLN 638 3.045 -13.912 1.317 759 HE21 GLN 638 HE21 GLN 638 5.698 -14.891 0.734 760 HE22 GLN 638 HE22 GLN 638 6.563 -14.935 2.226 761 H LYS 639 HN LYS 639 -0.453 -15.110 3.252 762 HA LYS 639 HA LYS 639 -2.181 -15.929 4.473 763 HB2 LYS 639 HB2 LYS 639 -2.588 -17.703 2.054 764 HB3 LYS 639 HB1 LYS 639 -3.705 -17.634 3.398 765 HG2 LYS 639 HG2 LYS 639 -4.169 -15.301 2.893 766 HG3 LYS 639 HG1 LYS 639 -2.994 -15.351 1.578 767 HD2 LYS 639 HD2 LYS 639 -4.310 -17.073 0.452 768 HD3 LYS 639 HD1 LYS 639 -5.476 -17.056 1.774 769 HE2 LYS 639 HE2 LYS 639 -6.268 -15.768 -0.150 770 HE3 LYS 639 HE1 LYS 639 -6.042 -14.743 1.265 771 HZ1 LYS 639 HZ1 LYS 639 -5.235 -13.768 -0.797 772 HZ2 LYS 639 HZ2 LYS 639 -4.103 -15.016 -0.958 773 HZ3 LYS 639 HZ3 LYS 639 -4.002 -13.935 0.350 774 H LYS 640 HN LYS 640 -3.187 -18.358 4.954 775 HA LYS 640 HA LYS 640 -0.981 -20.216 5.322 776 HB2 LYS 640 HB2 LYS 640 -1.873 -20.826 7.561 777 HB3 LYS 640 HB1 LYS 640 -1.299 -19.171 7.516 778 HG2 LYS 640 HG2 LYS 640 -3.569 -18.341 7.399 779 HG3 LYS 640 HG1 LYS 640 -4.193 -19.988 7.291 780 HD2 LYS 640 HD2 LYS 640 -3.368 -20.461 9.525 781 HD3 LYS 640 HD1 LYS 640 -2.661 -18.852 9.628 782 HE2 LYS 640 HE2 LYS 640 -4.763 -18.885 10.839 783 HE3 LYS 640 HE1 LYS 640 -4.921 -17.878 9.411 784 HZ1 LYS 640 HZ1 LYS 640 -6.848 -19.259 9.674 785 HZ2 LYS 640 HZ2 LYS 640 -5.929 -20.673 9.667 786 HZ3 LYS 640 HZ3 LYS 640 -6.026 -19.709 8.282 787 H GLN 641 HN GLN 641 -1.502 -22.049 4.373 788 HA GLN 641 HA GLN 641 -4.335 -22.653 4.007 789 HB2 GLN 641 HB2 GLN 641 -3.554 -24.467 2.457 790 HB3 GLN 641 HB1 GLN 641 -3.022 -22.873 1.973 791 HG2 GLN 641 HG2 GLN 641 -0.807 -23.337 2.890 792 HG3 GLN 641 HG1 GLN 641 -1.358 -24.936 3.378 793 HE21 GLN 641 HE21 GLN 641 -1.724 -26.469 1.845 794 HE22 GLN 641 HE22 GLN 641 -1.132 -26.344 0.230 795 H ARG 642 HN ARG 642 -1.393 -24.018 5.306 796 HA ARG 642 HA ARG 642 -2.788 -25.112 7.543 797 HB2 ARG 642 HB2 ARG 642 -0.867 -26.756 5.813 798 HB3 ARG 642 HB1 ARG 642 -1.414 -27.226 7.411 799 HG2 ARG 642 HG2 ARG 642 -3.721 -27.366 6.549 800 HG3 ARG 642 HG1 ARG 642 -3.117 -26.957 4.945 801 HD2 ARG 642 HD2 ARG 642 -2.316 -29.379 6.564 802 HD3 ARG 642 HD1 ARG 642 -3.456 -29.389 5.227 803 HE ARG 642 HE ARG 642 -1.011 -28.296 4.392 804 HH11 ARG 642 HH11 ARG 642 -2.491 -31.433 5.158 805 HH12 ARG 642 HH12 ARG 642 -1.359 -32.346 4.282 806 HH21 ARG 642 HH21 ARG 642 0.517 -29.556 3.139 807 HH22 ARG 642 HH22 ARG 642 0.386 -31.248 3.098 808 H LYS 643 HN LYS 643 -1.048 -25.369 9.262 809 HA LYS 643 HA LYS 643 1.250 -23.790 8.441 810 HB2 LYS 643 HB2 LYS 643 -0.271 -22.330 9.686 811 HB3 LYS 643 HB1 LYS 643 -0.246 -23.444 11.043 812 HG2 LYS 643 HG2 LYS 643 1.209 -21.490 11.412 813 HG3 LYS 643 HG1 LYS 643 2.115 -23.006 11.409 814 HD2 LYS 643 HD2 LYS 643 2.783 -22.599 9.085 815 HD3 LYS 643 HD1 LYS 643 1.881 -21.086 9.085 816 HE2 LYS 643 HE2 LYS 643 4.270 -20.728 9.393 817 HE3 LYS 643 HE1 LYS 643 3.354 -20.191 10.792 818 HZ1 LYS 643 HZ1 LYS 643 5.414 -21.424 11.331 819 HZ2 LYS 643 HZ2 LYS 643 4.764 -22.850 10.700 820 HZ3 LYS 643 HZ3 LYS 643 4.049 -22.093 12.018 821 HA PRO 644 HA PRO 644 3.320 -27.195 10.515 822 HB2 PRO 644 HB2 PRO 644 5.651 -26.325 8.993 823 HB3 PRO 644 HB1 PRO 644 4.777 -27.852 8.868 824 HG2 PRO 644 HG2 PRO 644 4.763 -25.975 6.895 825 HG3 PRO 644 HG1 PRO 644 3.412 -27.084 7.189 826 HD2 PRO 644 HD2 PRO 644 3.732 -24.229 8.026 827 HD3 PRO 644 HD1 PRO 644 2.306 -25.064 7.358 Start of MODEL 19 1 H1 LYS 290 HT1 LYS 290 -9.733 15.745 -12.162 2 H2 LYS 290 HT2 LYS 290 -8.706 15.758 -13.498 3 H3 LYS 290 HT3 LYS 290 -8.721 17.067 -12.411 4 HA LYS 290 HA LYS 290 -6.807 15.602 -12.098 5 HB2 LYS 290 HB2 LYS 290 -7.761 16.888 -10.205 6 HB3 LYS 290 HB1 LYS 290 -8.816 15.529 -9.835 7 HG2 LYS 290 HG2 LYS 290 -6.836 14.155 -9.386 8 HG3 LYS 290 HG1 LYS 290 -5.809 15.548 -9.729 9 HD2 LYS 290 HD2 LYS 290 -6.942 16.779 -7.906 10 HD3 LYS 290 HD1 LYS 290 -7.865 15.321 -7.537 11 HE2 LYS 290 HE2 LYS 290 -5.995 15.500 -6.030 12 HE3 LYS 290 HE1 LYS 290 -5.760 14.130 -7.113 13 HZ1 LYS 290 HZ1 LYS 290 -4.292 15.552 -8.462 14 HZ2 LYS 290 HZ2 LYS 290 -3.733 15.325 -6.904 15 HZ3 LYS 290 HZ3 LYS 290 -4.451 16.792 -7.328 16 H VAL 291 HN VAL 291 -6.520 13.653 -13.119 17 HA VAL 291 HA VAL 291 -8.329 11.505 -12.481 18 HB VAL 291 HB VAL 291 -6.951 10.057 -13.961 19 HG11 VAL 291 HG11 VAL 291 -7.412 11.222 -16.067 20 HG12 VAL 291 HG12 VAL 291 -7.703 12.707 -15.160 21 HG13 VAL 291 HG13 VAL 291 -8.755 11.313 -14.932 22 HG21 VAL 291 HG21 VAL 291 -5.265 12.528 -14.394 23 HG22 VAL 291 HG22 VAL 291 -5.119 11.016 -15.290 24 HG23 VAL 291 HG23 VAL 291 -4.749 11.061 -13.565 25 H ALA 292 HN ALA 292 -5.129 12.511 -11.613 26 HA ALA 292 HA ALA 292 -3.738 12.052 -9.966 27 HB1 ALA 292 HB1 ALA 292 -5.872 10.303 -8.733 28 HB2 ALA 292 HB2 ALA 292 -5.708 12.039 -8.472 29 HB3 ALA 292 HB3 ALA 292 -4.439 10.943 -7.927 30 HA PRO 293 HA PRO 293 -1.765 8.542 -11.693 31 HB2 PRO 293 HB2 PRO 293 0.608 8.783 -10.388 32 HB3 PRO 293 HB1 PRO 293 0.142 9.821 -11.740 33 HG2 PRO 293 HG2 PRO 293 0.047 10.381 -8.809 34 HG3 PRO 293 HG1 PRO 293 0.541 11.449 -10.133 35 HD2 PRO 293 HD2 PRO 293 -1.905 11.573 -8.948 36 HD3 PRO 293 HD1 PRO 293 -1.624 12.019 -10.643 37 H LEU 294 HN LEU 294 -2.828 6.810 -10.949 38 HA LEU 294 HA LEU 294 -3.247 4.912 -9.855 39 HB2 LEU 294 HB2 LEU 294 -0.836 4.564 -9.902 40 HB3 LEU 294 HB1 LEU 294 -0.646 5.509 -8.445 41 HG LEU 294 HG LEU 294 -1.872 3.767 -7.188 42 HD11 LEU 294 HD11 LEU 294 -1.767 2.260 -9.792 43 HD12 LEU 294 HD12 LEU 294 -3.226 2.806 -8.954 44 HD13 LEU 294 HD13 LEU 294 -2.187 1.575 -8.226 45 HD21 LEU 294 HD21 LEU 294 0.523 2.798 -8.735 46 HD22 LEU 294 HD22 LEU 294 -0.051 2.144 -7.204 47 HD23 LEU 294 HD23 LEU 294 0.556 3.784 -7.279 48 H LYS 295 HN LYS 295 -5.086 5.479 -8.928 49 HA LYS 295 HA LYS 295 -5.022 6.336 -6.110 50 HB2 LYS 295 HB2 LYS 295 -5.572 8.124 -7.981 51 HB3 LYS 295 HB1 LYS 295 -7.109 7.285 -8.044 52 HG2 LYS 295 HG2 LYS 295 -7.462 9.100 -6.608 53 HG3 LYS 295 HG1 LYS 295 -7.253 7.713 -5.532 54 HD2 LYS 295 HD2 LYS 295 -4.937 8.315 -5.149 55 HD3 LYS 295 HD1 LYS 295 -5.063 9.641 -6.301 56 HE2 LYS 295 HE2 LYS 295 -5.206 10.581 -4.135 57 HE3 LYS 295 HE1 LYS 295 -6.825 10.624 -4.823 58 HZ1 LYS 295 HZ1 LYS 295 -7.461 8.739 -3.449 59 HZ2 LYS 295 HZ2 LYS 295 -6.707 9.887 -2.471 60 HZ3 LYS 295 HZ3 LYS 295 -5.869 8.536 -2.957 61 H ILE 296 HN ILE 296 -6.200 4.766 -5.000 62 HA ILE 296 HA ILE 296 -8.314 3.494 -6.543 63 HB ILE 296 HB ILE 296 -7.968 1.358 -5.253 64 HG12 ILE 296 HG12 ILE 296 -5.282 2.607 -4.620 65 HG13 ILE 296 HG11 ILE 296 -6.550 2.235 -3.453 66 HG21 ILE 296 HG21 ILE 296 -7.367 1.533 -7.571 67 HG22 ILE 296 HG22 ILE 296 -6.171 0.553 -6.722 68 HG23 ILE 296 HG23 ILE 296 -5.801 2.222 -7.147 69 HD11 ILE 296 HD11 ILE 296 -5.097 0.203 -5.134 70 HD12 ILE 296 HD12 ILE 296 -6.290 -0.138 -3.880 71 HD13 ILE 296 HD13 ILE 296 -4.733 0.573 -3.452 72 H LYS 297 HN LYS 297 -10.159 2.862 -5.586 73 HA LYS 297 HA LYS 297 -10.757 4.122 -2.992 74 HB2 LYS 297 HB2 LYS 297 -11.454 5.118 -5.491 75 HB3 LYS 297 HB1 LYS 297 -12.783 4.041 -5.075 76 HG2 LYS 297 HG2 LYS 297 -13.479 5.299 -3.301 77 HG3 LYS 297 HG1 LYS 297 -11.971 6.235 -3.236 78 HD2 LYS 297 HD2 LYS 297 -12.429 7.196 -5.417 79 HD3 LYS 297 HD1 LYS 297 -13.885 6.226 -5.571 80 HE2 LYS 297 HE2 LYS 297 -14.285 8.598 -4.979 81 HE3 LYS 297 HE1 LYS 297 -14.943 7.448 -3.815 82 HZ1 LYS 297 HZ1 LYS 297 -12.293 8.735 -3.344 83 HZ2 LYS 297 HZ2 LYS 297 -13.413 7.993 -2.276 84 HZ3 LYS 297 HZ3 LYS 297 -13.775 9.460 -2.970 85 H LEU 298 HN LEU 298 -12.377 2.953 -1.911 86 HA LEU 298 HA LEU 298 -12.978 0.296 -3.042 87 HB2 LEU 298 HB2 LEU 298 -12.032 1.026 -0.445 88 HB3 LEU 298 HB1 LEU 298 -13.646 0.383 -0.255 89 HG LEU 298 HG LEU 298 -11.826 -1.297 0.066 90 HD11 LEU 298 HD11 LEU 298 -13.672 -1.837 -2.244 91 HD12 LEU 298 HD12 LEU 298 -14.062 -2.027 -0.533 92 HD13 LEU 298 HD13 LEU 298 -12.843 -3.056 -1.279 93 HD21 LEU 298 HD21 LEU 298 -10.656 -2.184 -1.878 94 HD22 LEU 298 HD22 LEU 298 -10.261 -0.488 -1.640 95 HD23 LEU 298 HD23 LEU 298 -11.387 -0.960 -2.910 96 H GLY 299 HN GLY 299 -15.162 -0.602 -2.019 97 HA2 GLY 299 HA2 GLY 299 -17.454 -0.218 -1.847 98 HA3 GLY 299 HA1 GLY 299 -17.172 1.500 -2.176 99 H GLY 300 HN GLY 300 -16.259 -1.477 -3.750 100 HA2 GLY 300 HA2 GLY 300 -17.710 -1.692 -5.938 101 HA3 GLY 300 HA1 GLY 300 -16.601 -0.369 -6.357 102 H PHE 301 HN PHE 301 -15.847 -2.169 -7.922 103 HA PHE 301 HA PHE 301 -13.453 -3.247 -6.755 104 HB2 PHE 301 HB2 PHE 301 -15.288 -4.936 -6.190 105 HB3 PHE 301 HB1 PHE 301 -15.398 -5.251 -7.909 106 HD1 PHE 301 HD1 PHE 301 -12.706 -4.985 -5.328 107 HD2 PHE 301 HD2 PHE 301 -14.305 -7.147 -8.626 108 HE1 PHE 301 HE1 PHE 301 -10.923 -6.656 -5.090 109 HE2 PHE 301 HE2 PHE 301 -12.520 -8.819 -8.390 110 HZ PHE 301 HZ PHE 301 -10.828 -8.578 -6.627 111 H ALA 557 HN ALA 557 5.328 -13.206 16.303 112 HA ALA 557 HA ALA 557 6.161 -13.629 13.831 113 HB1 ALA 557 HB1 ALA 557 7.787 -11.795 14.046 114 HB2 ALA 557 HB2 ALA 557 8.589 -13.344 13.788 115 HB3 ALA 557 HB3 ALA 557 8.543 -12.634 15.401 116 H SER 558 HN SER 558 6.933 -15.705 13.605 117 HA SER 558 HA SER 558 7.013 -17.315 16.031 118 HB2 SER 558 HB2 SER 558 7.115 -18.177 13.134 119 HB3 SER 558 HB1 SER 558 6.782 -19.196 14.538 120 HG SER 558 HG SER 558 5.216 -17.080 13.515 121 H ALA 559 HN ALA 559 9.020 -16.217 13.380 122 HA ALA 559 HA ALA 559 11.460 -17.024 14.667 123 HB1 ALA 559 HB1 ALA 559 10.785 -19.125 13.601 124 HB2 ALA 559 HB2 ALA 559 12.212 -18.433 12.831 125 HB3 ALA 559 HB3 ALA 559 10.631 -18.290 12.056 126 H SER 560 HN SER 560 13.199 -16.672 12.963 127 HA SER 560 HA SER 560 12.582 -14.314 11.368 128 HB2 SER 560 HB2 SER 560 13.699 -13.750 13.549 129 HB3 SER 560 HB1 SER 560 15.064 -14.750 13.060 130 HG SER 560 HG SER 560 14.313 -12.238 12.293 131 H TYR 561 HN TYR 561 12.633 -15.380 9.420 132 HA TYR 561 HA TYR 561 14.792 -17.199 8.792 133 HB2 TYR 561 HB2 TYR 561 12.697 -15.941 6.997 134 HB3 TYR 561 HB1 TYR 561 13.837 -17.176 6.486 135 HD1 TYR 561 HD1 TYR 561 10.761 -16.491 8.300 136 HD2 TYR 561 HD2 TYR 561 13.555 -19.512 7.242 137 HE1 TYR 561 HE1 TYR 561 9.120 -18.220 8.925 138 HE2 TYR 561 HE2 TYR 561 11.929 -21.246 7.862 139 HH TYR 561 HH TYR 561 9.982 -21.564 9.141 140 H ASP 562 HN ASP 562 13.880 -14.025 8.441 141 HA ASP 562 HA ASP 562 16.567 -13.194 7.760 142 HB2 ASP 562 HB2 ASP 562 15.863 -11.653 6.043 143 HB3 ASP 562 HB1 ASP 562 15.154 -13.200 5.614 144 H SER 563 HN SER 563 16.932 -11.038 8.614 145 HA SER 563 HA SER 563 15.341 -10.692 10.993 146 HB2 SER 563 HB2 SER 563 17.799 -9.268 10.058 147 HB3 SER 563 HB1 SER 563 17.113 -9.166 11.687 148 HG SER 563 HG SER 563 17.415 -11.468 11.811 149 H GLU 564 HN GLU 564 15.023 -9.684 8.055 150 HA GLU 564 HA GLU 564 13.805 -8.171 6.934 151 HB2 GLU 564 HB2 GLU 564 12.235 -8.408 8.945 152 HB3 GLU 564 HB1 GLU 564 13.009 -6.926 9.530 153 HG2 GLU 564 HG2 GLU 564 12.244 -5.778 7.507 154 HG3 GLU 564 HG1 GLU 564 11.383 -7.241 7.032 155 H GLU 565 HN GLU 565 13.789 -6.033 6.350 156 HA GLU 565 HA GLU 565 16.200 -4.593 7.227 157 HB2 GLU 565 HB2 GLU 565 14.962 -4.714 4.490 158 HB3 GLU 565 HB1 GLU 565 16.324 -3.691 4.908 159 HG2 GLU 565 HG2 GLU 565 16.310 -6.708 5.033 160 HG3 GLU 565 HG1 GLU 565 16.979 -5.755 3.713 161 H GLU 566 HN GLU 566 16.082 -2.273 7.212 162 HA GLU 566 HA GLU 566 13.407 -1.326 7.763 163 HB2 GLU 566 HB2 GLU 566 16.109 -0.043 8.086 164 HB3 GLU 566 HB1 GLU 566 14.606 0.803 8.403 165 HG2 GLU 566 HG2 GLU 566 14.039 -0.917 10.073 166 HG3 GLU 566 HG1 GLU 566 15.615 -1.657 9.793 167 H GLU 567 HN GLU 567 12.311 -0.865 6.180 168 HA GLU 567 HA GLU 567 13.482 0.433 3.806 169 HB2 GLU 567 HB2 GLU 567 13.038 -1.902 3.457 170 HB3 GLU 567 HB1 GLU 567 11.413 -1.720 4.065 171 HG2 GLU 567 HG2 GLU 567 10.844 -0.399 2.093 172 HG3 GLU 567 HG1 GLU 567 12.493 -0.611 1.490 173 H GLU 568 HN GLU 568 11.341 0.864 6.340 174 HA GLU 568 HA GLU 568 9.277 2.162 4.833 175 HB2 GLU 568 HB2 GLU 568 8.473 2.841 7.202 176 HB3 GLU 568 HB1 GLU 568 8.215 1.186 6.653 177 HG2 GLU 568 HG2 GLU 568 10.399 2.179 8.484 178 HG3 GLU 568 HG1 GLU 568 8.880 1.472 9.026 179 H GLY 569 HN GLY 569 11.908 3.244 4.690 180 HA2 GLY 569 HA2 GLY 569 11.120 6.010 5.235 181 HA3 GLY 569 HA1 GLY 569 12.769 5.463 5.557 182 H LEU 570 HN LEU 570 11.555 3.797 2.950 183 HA LEU 570 HA LEU 570 13.080 5.500 1.145 184 HB2 LEU 570 HB2 LEU 570 12.285 2.602 0.894 185 HB3 LEU 570 HB1 LEU 570 13.259 3.491 -0.258 186 HG LEU 570 HG LEU 570 14.043 2.851 2.581 187 HD11 LEU 570 HD11 LEU 570 15.672 1.349 1.567 188 HD12 LEU 570 HD12 LEU 570 15.002 1.707 -0.026 189 HD13 LEU 570 HD13 LEU 570 14.015 0.882 1.184 190 HD21 LEU 570 HD21 LEU 570 15.604 4.181 0.363 191 HD22 LEU 570 HD22 LEU 570 16.263 3.680 1.915 192 HD23 LEU 570 HD23 LEU 570 15.041 4.949 1.849 193 HA PRO 571 HA PRO 571 9.211 6.458 -0.907 194 HB2 PRO 571 HB2 PRO 571 10.877 7.087 -3.253 195 HB3 PRO 571 HB1 PRO 571 9.802 8.150 -2.344 196 HG2 PRO 571 HG2 PRO 571 12.472 8.388 -2.210 197 HG3 PRO 571 HG1 PRO 571 11.433 8.702 -0.809 198 HD2 PRO 571 HD2 PRO 571 13.100 6.293 -1.422 199 HD3 PRO 571 HD1 PRO 571 12.817 7.135 0.121 200 H MET 572 HN MET 572 7.969 5.590 -2.580 201 HA MET 572 HA MET 572 8.842 2.910 -3.410 202 HB2 MET 572 HB2 MET 572 6.103 4.175 -3.248 203 HB3 MET 572 HB1 MET 572 6.430 2.505 -3.688 204 HG2 MET 572 HG2 MET 572 7.233 3.683 -1.040 205 HG3 MET 572 HG1 MET 572 5.669 2.923 -1.322 206 HE1 MET 572 HE1 MET 572 6.468 -0.757 -1.954 207 HE2 MET 572 HE2 MET 572 5.896 0.571 -2.986 208 HE3 MET 572 HE3 MET 572 5.280 0.388 -1.353 209 H SER 573 HN SER 573 8.977 2.370 -5.568 210 HA SER 573 HA SER 573 8.898 4.477 -7.508 211 HB2 SER 573 HB2 SER 573 10.560 2.586 -7.653 212 HB3 SER 573 HB1 SER 573 9.220 1.476 -7.903 213 HG SER 573 HG SER 573 9.657 1.919 -9.976 214 H TYR 574 HN TYR 574 7.600 4.262 -9.503 215 HA TYR 574 HA TYR 574 4.870 3.999 -8.901 216 HB2 TYR 574 HB2 TYR 574 4.404 4.369 -11.254 217 HB3 TYR 574 HB1 TYR 574 5.674 5.460 -10.729 218 HD1 TYR 574 HD1 TYR 574 8.099 4.759 -11.324 219 HD2 TYR 574 HD2 TYR 574 4.660 3.077 -13.144 220 HE1 TYR 574 HE1 TYR 574 9.460 4.068 -13.245 221 HE2 TYR 574 HE2 TYR 574 6.017 2.368 -15.069 222 HH TYR 574 HH TYR 574 8.078 3.060 -16.148 223 H ASP 575 HN ASP 575 7.171 1.782 -10.122 224 HA ASP 575 HA ASP 575 5.433 -0.325 -10.968 225 HB2 ASP 575 HB2 ASP 575 8.176 -0.672 -9.744 226 HB3 ASP 575 HB1 ASP 575 7.373 -1.717 -10.906 227 H GLU 576 HN GLU 576 7.219 0.257 -7.951 228 HA GLU 576 HA GLU 576 6.358 -1.920 -6.517 229 HB2 GLU 576 HB2 GLU 576 7.059 0.822 -5.513 230 HB3 GLU 576 HB1 GLU 576 6.961 -0.633 -4.529 231 HG2 GLU 576 HG2 GLU 576 8.732 -1.639 -5.886 232 HG3 GLU 576 HG1 GLU 576 8.848 -0.154 -6.804 233 H LYS 577 HN LYS 577 5.061 1.355 -6.567 234 HA LYS 577 HA LYS 577 2.870 0.973 -4.844 235 HB2 LYS 577 HB2 LYS 577 3.224 2.857 -7.143 236 HB3 LYS 577 HB1 LYS 577 1.994 3.042 -5.890 237 HG2 LYS 577 HG2 LYS 577 3.733 3.328 -4.193 238 HG3 LYS 577 HG1 LYS 577 4.979 3.094 -5.409 239 HD2 LYS 577 HD2 LYS 577 3.001 5.392 -5.315 240 HD3 LYS 577 HD1 LYS 577 4.701 5.463 -4.848 241 HE2 LYS 577 HE2 LYS 577 5.295 4.829 -7.165 242 HE3 LYS 577 HE1 LYS 577 3.582 4.939 -7.597 243 HZ1 LYS 577 HZ1 LYS 577 5.388 7.120 -6.728 244 HZ2 LYS 577 HZ2 LYS 577 3.737 7.314 -6.784 245 HZ3 LYS 577 HZ3 LYS 577 4.597 6.997 -8.197 246 H ARG 578 HN ARG 578 3.180 0.722 -8.348 247 HA ARG 578 HA ARG 578 0.555 0.127 -9.033 248 HB2 ARG 578 HB2 ARG 578 2.119 0.617 -10.758 249 HB3 ARG 578 HB1 ARG 578 3.176 -0.693 -10.271 250 HG2 ARG 578 HG2 ARG 578 1.638 -2.308 -11.062 251 HG3 ARG 578 HG1 ARG 578 0.429 -1.067 -11.466 252 HD2 ARG 578 HD2 ARG 578 2.019 -0.121 -13.063 253 HD3 ARG 578 HD1 ARG 578 3.180 -1.381 -12.630 254 HE ARG 578 HE ARG 578 0.701 -2.445 -13.507 255 HH11 ARG 578 HH11 ARG 578 3.751 -1.099 -14.647 256 HH12 ARG 578 HH12 ARG 578 3.714 -1.832 -16.167 257 HH21 ARG 578 HH21 ARG 578 0.611 -3.502 -15.666 258 HH22 ARG 578 HH22 ARG 578 1.899 -3.225 -16.748 259 H GLN 579 HN GLN 579 3.189 -2.132 -8.156 260 HA GLN 579 HA GLN 579 1.568 -4.400 -8.384 261 HB2 GLN 579 HB2 GLN 579 3.978 -4.437 -8.602 262 HB3 GLN 579 HB1 GLN 579 4.163 -3.883 -6.949 263 HG2 GLN 579 HG2 GLN 579 4.623 -6.247 -7.229 264 HG3 GLN 579 HG1 GLN 579 3.288 -5.898 -6.117 265 HE21 GLN 579 HE21 GLN 579 1.321 -6.714 -6.530 266 HE22 GLN 579 HE22 GLN 579 0.885 -7.684 -7.887 267 H LEU 580 HN LEU 580 2.412 -2.258 -5.764 268 HA LEU 580 HA LEU 580 1.437 -3.661 -3.569 269 HB2 LEU 580 HB2 LEU 580 2.727 -1.373 -3.885 270 HB3 LEU 580 HB1 LEU 580 1.123 -0.696 -3.817 271 HG LEU 580 HG LEU 580 2.463 -2.290 -1.636 272 HD11 LEU 580 HD11 LEU 580 3.450 -0.127 -1.999 273 HD12 LEU 580 HD12 LEU 580 2.587 -0.171 -0.458 274 HD13 LEU 580 HD13 LEU 580 1.878 0.648 -1.854 275 HD21 LEU 580 HD21 LEU 580 -0.170 -0.807 -1.580 276 HD22 LEU 580 HD22 LEU 580 0.594 -1.640 -0.223 277 HD23 LEU 580 HD23 LEU 580 0.020 -2.557 -1.609 278 H SER 581 HN SER 581 -0.232 -1.446 -5.837 279 HA SER 581 HA SER 581 -2.687 -1.622 -4.445 280 HB2 SER 581 HB2 SER 581 -3.566 -0.593 -6.669 281 HB3 SER 581 HB1 SER 581 -2.477 0.361 -5.665 282 HG SER 581 HG SER 581 -0.870 0.026 -7.043 283 H LEU 582 HN LEU 582 -1.199 -3.473 -6.966 284 HA LEU 582 HA LEU 582 -3.522 -4.944 -7.765 285 HB2 LEU 582 HB2 LEU 582 -0.664 -5.908 -7.784 286 HB3 LEU 582 HB1 LEU 582 -1.985 -6.536 -8.741 287 HG LEU 582 HG LEU 582 -0.697 -3.838 -9.039 288 HD11 LEU 582 HD11 LEU 582 -0.573 -6.295 -10.774 289 HD12 LEU 582 HD12 LEU 582 0.736 -5.647 -9.793 290 HD13 LEU 582 HD13 LEU 582 0.128 -4.729 -11.170 291 HD21 LEU 582 HD21 LEU 582 -3.079 -3.780 -9.632 292 HD22 LEU 582 HD22 LEU 582 -2.821 -5.117 -10.767 293 HD23 LEU 582 HD23 LEU 582 -2.028 -3.565 -11.025 294 H ASP 583 HN ASP 583 -0.984 -5.447 -5.380 295 HA ASP 583 HA ASP 583 -2.007 -7.869 -4.415 296 HB2 ASP 583 HB2 ASP 583 -0.176 -5.845 -3.177 297 HB3 ASP 583 HB1 ASP 583 -0.700 -7.271 -2.289 298 H ILE 584 HN ILE 584 -2.694 -4.562 -3.432 299 HA ILE 584 HA ILE 584 -4.464 -5.285 -1.347 300 HB ILE 584 HB ILE 584 -4.410 -2.808 -3.099 301 HG12 ILE 584 HG12 ILE 584 -3.428 -3.232 -0.277 302 HG13 ILE 584 HG11 ILE 584 -2.404 -3.171 -1.711 303 HG21 ILE 584 HG21 ILE 584 -5.954 -3.241 -0.540 304 HG22 ILE 584 HG22 ILE 584 -6.644 -3.051 -2.152 305 HG23 ILE 584 HG23 ILE 584 -5.797 -1.704 -1.392 306 HD11 ILE 584 HD11 ILE 584 -4.097 -0.929 -0.632 307 HD12 ILE 584 HD12 ILE 584 -3.057 -0.845 -2.057 308 HD13 ILE 584 HD13 ILE 584 -2.350 -1.088 -0.460 309 H ASN 585 HN ASN 585 -4.846 -4.949 -4.796 310 HA ASN 585 HA ASN 585 -7.690 -5.212 -4.978 311 HB2 ASN 585 HB2 ASN 585 -6.225 -4.250 -6.767 312 HB3 ASN 585 HB1 ASN 585 -5.542 -5.841 -7.039 313 HD21 ASN 585 HD21 ASN 585 -6.156 -5.935 -9.159 314 HD22 ASN 585 HD22 ASN 585 -7.774 -6.084 -9.692 315 H ARG 586 HN ARG 586 -5.092 -7.388 -4.567 316 HA ARG 586 HA ARG 586 -6.456 -9.814 -5.304 317 HB2 ARG 586 HB2 ARG 586 -3.892 -9.325 -3.794 318 HB3 ARG 586 HB1 ARG 586 -4.515 -10.929 -4.121 319 HG2 ARG 586 HG2 ARG 586 -4.273 -10.576 -6.501 320 HG3 ARG 586 HG1 ARG 586 -3.775 -8.905 -6.225 321 HD2 ARG 586 HD2 ARG 586 -1.782 -9.639 -5.072 322 HD3 ARG 586 HD1 ARG 586 -2.305 -11.319 -5.164 323 HE ARG 586 HE ARG 586 -2.215 -10.715 -7.721 324 HH11 ARG 586 HH11 ARG 586 0.255 -9.801 -5.239 325 HH12 ARG 586 HH12 ARG 586 1.525 -10.004 -6.308 326 HH21 ARG 586 HH21 ARG 586 -0.414 -10.930 -9.120 327 HH22 ARG 586 HH22 ARG 586 1.171 -10.665 -8.561 328 H LEU 587 HN LEU 587 -6.345 -7.867 -2.451 329 HA LEU 587 HA LEU 587 -6.885 -10.046 -0.670 330 HB2 LEU 587 HB2 LEU 587 -7.018 -7.078 -0.205 331 HB3 LEU 587 HB1 LEU 587 -7.272 -8.289 1.030 332 HG LEU 587 HG LEU 587 -4.729 -7.603 -0.408 333 HD11 LEU 587 HD11 LEU 587 -5.231 -6.175 1.432 334 HD12 LEU 587 HD12 LEU 587 -3.951 -7.303 1.931 335 HD13 LEU 587 HD13 LEU 587 -5.603 -7.554 2.460 336 HD21 LEU 587 HD21 LEU 587 -5.255 -9.947 1.419 337 HD22 LEU 587 HD22 LEU 587 -3.667 -9.406 0.876 338 HD23 LEU 587 HD23 LEU 587 -4.831 -10.022 -0.295 339 HA PRO 588 HA PRO 588 -11.321 -9.899 -0.861 340 HB2 PRO 588 HB2 PRO 588 -11.846 -11.045 1.565 341 HB3 PRO 588 HB1 PRO 588 -11.338 -12.000 0.169 342 HG2 PRO 588 HG2 PRO 588 -9.742 -11.067 2.507 343 HG3 PRO 588 HG1 PRO 588 -9.671 -12.610 1.641 344 HD2 PRO 588 HD2 PRO 588 -7.896 -10.571 1.270 345 HD3 PRO 588 HD1 PRO 588 -8.282 -11.771 0.015 346 H GLY 589 HN GLY 589 -12.806 -8.440 -0.069 347 HA2 GLY 589 HA2 GLY 589 -12.008 -6.050 0.983 348 HA3 GLY 589 HA1 GLY 589 -13.675 -6.614 1.056 349 H GLU 590 HN GLU 590 -13.147 -8.788 2.814 350 HA GLU 590 HA GLU 590 -13.476 -7.688 5.325 351 HB2 GLU 590 HB2 GLU 590 -14.019 -10.030 4.670 352 HB3 GLU 590 HB1 GLU 590 -12.303 -10.401 4.704 353 HG2 GLU 590 HG2 GLU 590 -13.512 -11.116 6.731 354 HG3 GLU 590 HG1 GLU 590 -12.198 -9.981 7.055 355 H LYS 591 HN LYS 591 -10.490 -8.776 3.790 356 HA LYS 591 HA LYS 591 -9.036 -7.863 6.152 357 HB2 LYS 591 HB2 LYS 591 -8.183 -9.735 3.945 358 HB3 LYS 591 HB1 LYS 591 -7.045 -9.085 5.119 359 HG2 LYS 591 HG2 LYS 591 -9.514 -10.662 5.851 360 HG3 LYS 591 HG1 LYS 591 -7.900 -11.358 5.698 361 HD2 LYS 591 HD2 LYS 591 -7.070 -10.055 7.513 362 HD3 LYS 591 HD1 LYS 591 -8.508 -9.048 7.561 363 HE2 LYS 591 HE2 LYS 591 -8.477 -10.643 9.399 364 HE3 LYS 591 HE1 LYS 591 -9.827 -10.939 8.312 365 HZ1 LYS 591 HZ1 LYS 591 -8.717 -12.945 9.031 366 HZ2 LYS 591 HZ2 LYS 591 -7.282 -12.492 8.281 367 HZ3 LYS 591 HZ3 LYS 591 -8.672 -12.788 7.373 368 H LEU 592 HN LEU 592 -9.772 -6.965 3.008 369 HA LEU 592 HA LEU 592 -7.719 -5.184 2.368 370 HB2 LEU 592 HB2 LEU 592 -9.972 -6.172 1.306 371 HB3 LEU 592 HB1 LEU 592 -10.592 -4.642 1.877 372 HG LEU 592 HG LEU 592 -8.403 -5.077 -0.105 373 HD11 LEU 592 HD11 LEU 592 -10.010 -4.254 -1.721 374 HD12 LEU 592 HD12 LEU 592 -11.214 -4.141 -0.425 375 HD13 LEU 592 HD13 LEU 592 -10.559 -5.712 -0.880 376 HD21 LEU 592 HD21 LEU 592 -8.528 -2.644 -0.481 377 HD22 LEU 592 HD22 LEU 592 -8.054 -3.031 1.178 378 HD23 LEU 592 HD23 LEU 592 -9.706 -2.526 0.834 379 H GLY 593 HN GLY 593 -10.637 -5.085 4.307 380 HA2 GLY 593 HA2 GLY 593 -10.838 -2.491 5.171 381 HA3 GLY 593 HA1 GLY 593 -11.291 -3.891 6.126 382 H ARG 594 HN ARG 594 -8.497 -4.905 6.224 383 HA ARG 594 HA ARG 594 -7.757 -3.593 8.622 384 HB2 ARG 594 HB2 ARG 594 -7.411 -5.979 8.236 385 HB3 ARG 594 HB1 ARG 594 -6.336 -5.624 6.905 386 HG2 ARG 594 HG2 ARG 594 -5.115 -6.291 8.885 387 HG3 ARG 594 HG1 ARG 594 -4.740 -4.624 8.446 388 HD2 ARG 594 HD2 ARG 594 -5.892 -3.759 10.210 389 HD3 ARG 594 HD1 ARG 594 -6.901 -5.184 10.411 390 HE ARG 594 HE ARG 594 -4.008 -5.195 10.997 391 HH11 ARG 594 HH11 ARG 594 -7.338 -5.904 12.031 392 HH12 ARG 594 HH12 ARG 594 -6.862 -6.707 13.448 393 HH21 ARG 594 HH21 ARG 594 -3.365 -6.300 12.909 394 HH22 ARG 594 HH22 ARG 594 -4.540 -6.906 13.983 395 H VAL 595 HN VAL 595 -6.696 -3.565 5.274 396 HA VAL 595 HA VAL 595 -4.369 -1.995 5.717 397 HB VAL 595 HB VAL 595 -5.874 -2.052 3.108 398 HG11 VAL 595 HG11 VAL 595 -2.975 -1.820 3.692 399 HG12 VAL 595 HG12 VAL 595 -4.076 -0.545 3.154 400 HG13 VAL 595 HG13 VAL 595 -3.700 -1.902 2.086 401 HG21 VAL 595 HG21 VAL 595 -5.746 -4.379 3.800 402 HG22 VAL 595 HG22 VAL 595 -4.021 -4.194 4.115 403 HG23 VAL 595 HG23 VAL 595 -4.629 -4.081 2.463 404 H VAL 596 HN VAL 596 -7.718 -1.342 5.010 405 HA VAL 596 HA VAL 596 -7.712 1.413 4.591 406 HB VAL 596 HB VAL 596 -9.728 -0.111 6.294 407 HG11 VAL 596 HG11 VAL 596 -11.319 1.637 5.676 408 HG12 VAL 596 HG12 VAL 596 -10.040 2.493 4.815 409 HG13 VAL 596 HG13 VAL 596 -9.942 2.294 6.568 410 HG21 VAL 596 HG21 VAL 596 -9.814 0.454 3.332 411 HG22 VAL 596 HG22 VAL 596 -11.072 -0.344 4.269 412 HG23 VAL 596 HG23 VAL 596 -9.498 -1.114 4.068 413 H HIS 597 HN HIS 597 -7.618 -0.394 7.663 414 HA HIS 597 HA HIS 597 -7.674 1.892 9.354 415 HB2 HIS 597 HB2 HIS 597 -6.872 -0.983 9.852 416 HB3 HIS 597 HB1 HIS 597 -6.875 0.247 11.103 417 HD1 HIS 597 HD1 HIS 597 -9.339 -1.601 8.814 418 HD2 HIS 597 HD2 HIS 597 -9.280 0.703 12.279 419 HE1 HIS 597 HE1 HIS 597 -11.616 -1.794 9.806 420 H ILE 598 HN ILE 598 -5.186 0.057 7.795 421 HA ILE 598 HA ILE 598 -2.966 0.990 9.231 422 HB ILE 598 HB ILE 598 -3.145 -0.000 6.347 423 HG12 ILE 598 HG12 ILE 598 -2.250 -1.414 8.875 424 HG13 ILE 598 HG11 ILE 598 -3.793 -1.655 8.071 425 HG21 ILE 598 HG21 ILE 598 -0.675 0.452 7.988 426 HG22 ILE 598 HG22 ILE 598 -1.189 1.327 6.532 427 HG23 ILE 598 HG23 ILE 598 -0.778 -0.382 6.432 428 HD11 ILE 598 HD11 ILE 598 -2.260 -3.456 7.564 429 HD12 ILE 598 HD12 ILE 598 -1.070 -2.308 6.933 430 HD13 ILE 598 HD13 ILE 598 -2.599 -2.547 6.100 431 H ILE 599 HN ILE 599 -4.614 2.170 6.362 432 HA ILE 599 HA ILE 599 -2.858 4.260 5.717 433 HB ILE 599 HB ILE 599 -5.756 3.781 5.060 434 HG12 ILE 599 HG12 ILE 599 -3.350 3.414 3.326 435 HG13 ILE 599 HG11 ILE 599 -3.935 2.148 4.405 436 HG21 ILE 599 HG21 ILE 599 -5.258 6.136 4.762 437 HG22 ILE 599 HG22 ILE 599 -5.396 5.359 3.180 438 HG23 ILE 599 HG23 ILE 599 -3.808 5.750 3.840 439 HD11 ILE 599 HD11 ILE 599 -5.566 3.490 2.312 440 HD12 ILE 599 HD12 ILE 599 -5.996 2.112 3.343 441 HD13 ILE 599 HD13 ILE 599 -4.731 1.937 2.115 442 H GLN 600 HN GLN 600 -5.723 4.091 7.750 443 HA GLN 600 HA GLN 600 -6.236 6.792 8.150 444 HB2 GLN 600 HB2 GLN 600 -6.576 4.575 10.144 445 HB3 GLN 600 HB1 GLN 600 -7.374 6.143 10.189 446 HG2 GLN 600 HG2 GLN 600 -8.251 5.612 7.946 447 HG3 GLN 600 HG1 GLN 600 -7.714 3.953 8.195 448 HE21 GLN 600 HE21 GLN 600 -9.963 6.348 9.005 449 HE22 GLN 600 HE22 GLN 600 -11.015 5.382 9.982 450 H SER 601 HN SER 601 -3.759 4.847 9.464 451 HA SER 601 HA SER 601 -3.029 6.381 11.723 452 HB2 SER 601 HB2 SER 601 -1.430 4.654 9.914 453 HB3 SER 601 HB1 SER 601 -0.951 5.107 11.564 454 HG SER 601 HG SER 601 -3.472 4.082 11.451 455 H ARG 602 HN ARG 602 -2.359 6.673 8.338 456 HA ARG 602 HA ARG 602 -0.338 8.782 8.752 457 HB2 ARG 602 HB2 ARG 602 -0.111 6.703 7.209 458 HB3 ARG 602 HB1 ARG 602 -1.247 7.520 6.172 459 HG2 ARG 602 HG2 ARG 602 1.531 8.490 6.891 460 HG3 ARG 602 HG1 ARG 602 1.063 7.709 5.396 461 HD2 ARG 602 HD2 ARG 602 1.102 9.881 4.756 462 HD3 ARG 602 HD1 ARG 602 -0.591 9.747 5.241 463 HE ARG 602 HE ARG 602 1.132 10.569 7.366 464 HH11 ARG 602 HH11 ARG 602 -0.962 11.716 4.719 465 HH12 ARG 602 HH12 ARG 602 -0.867 13.345 5.223 466 HH21 ARG 602 HH21 ARG 602 1.182 12.874 8.029 467 HH22 ARG 602 HH22 ARG 602 0.343 13.991 7.060 468 H GLU 603 HN GLU 603 -3.314 7.937 7.172 469 HA GLU 603 HA GLU 603 -3.713 10.640 6.126 470 HB2 GLU 603 HB2 GLU 603 -4.857 7.983 5.411 471 HB3 GLU 603 HB1 GLU 603 -5.426 9.475 4.700 472 HG2 GLU 603 HG2 GLU 603 -2.584 8.491 4.567 473 HG3 GLU 603 HG1 GLU 603 -3.790 8.170 3.329 474 HA PRO 604 HA PRO 604 -6.948 10.559 9.189 475 HB2 PRO 604 HB2 PRO 604 -6.927 13.122 9.870 476 HB3 PRO 604 HB1 PRO 604 -5.569 12.024 10.256 477 HG2 PRO 604 HG2 PRO 604 -5.756 13.989 8.008 478 HG3 PRO 604 HG1 PRO 604 -4.435 13.766 9.174 479 HD2 PRO 604 HD2 PRO 604 -4.536 12.613 6.667 480 HD3 PRO 604 HD1 PRO 604 -3.589 11.970 8.024 481 H SER 605 HN SER 605 -6.618 11.808 6.128 482 HA SER 605 HA SER 605 -9.078 13.168 5.801 483 HB2 SER 605 HB2 SER 605 -7.307 11.845 3.742 484 HB3 SER 605 HB1 SER 605 -8.498 13.117 3.453 485 HG SER 605 HG SER 605 -7.009 14.453 3.873 486 H LEU 606 HN LEU 606 -7.963 9.879 5.669 487 HA LEU 606 HA LEU 606 -10.299 8.869 4.387 488 HB2 LEU 606 HB2 LEU 606 -8.086 7.814 4.291 489 HB3 LEU 606 HB1 LEU 606 -8.169 7.419 5.981 490 HG LEU 606 HG LEU 606 -10.068 6.362 3.834 491 HD11 LEU 606 HD11 LEU 606 -8.825 4.285 3.966 492 HD12 LEU 606 HD12 LEU 606 -7.680 5.067 5.071 493 HD13 LEU 606 HD13 LEU 606 -7.851 5.650 3.410 494 HD21 LEU 606 HD21 LEU 606 -10.686 4.642 5.479 495 HD22 LEU 606 HD22 LEU 606 -11.022 6.269 6.088 496 HD23 LEU 606 HD23 LEU 606 -9.615 5.400 6.664 497 H ARG 607 HN ARG 607 -9.087 8.975 7.691 498 HA ARG 607 HA ARG 607 -11.263 8.038 9.137 499 HB2 ARG 607 HB2 ARG 607 -9.374 10.306 9.763 500 HB3 ARG 607 HB1 ARG 607 -10.484 9.621 10.939 501 HG2 ARG 607 HG2 ARG 607 -9.368 7.524 10.871 502 HG3 ARG 607 HG1 ARG 607 -8.384 8.032 9.495 503 HD2 ARG 607 HD2 ARG 607 -7.120 8.106 11.623 504 HD3 ARG 607 HD1 ARG 607 -7.280 9.698 10.889 505 HE ARG 607 HE ARG 607 -9.340 9.191 12.776 506 HH11 ARG 607 HH11 ARG 607 -5.882 10.058 12.594 507 HH12 ARG 607 HH12 ARG 607 -5.892 10.968 14.014 508 HH21 ARG 607 HH21 ARG 607 -9.329 10.474 14.767 509 HH22 ARG 607 HH22 ARG 607 -7.904 11.238 15.262 510 H ASP 608 HN ASP 608 -10.699 11.155 7.736 511 HA ASP 608 HA ASP 608 -12.990 12.573 8.642 512 HB2 ASP 608 HB2 ASP 608 -10.993 13.713 7.918 513 HB3 ASP 608 HB1 ASP 608 -11.081 12.938 6.346 514 H SER 609 HN SER 609 -12.434 10.349 6.091 515 HA SER 609 HA SER 609 -14.984 10.910 4.776 516 HB2 SER 609 HB2 SER 609 -12.701 9.062 4.019 517 HB3 SER 609 HB1 SER 609 -14.098 9.442 3.011 518 HG SER 609 HG SER 609 -11.997 11.131 3.842 519 H ASN 610 HN ASN 610 -15.553 8.273 3.909 520 HA ASN 610 HA ASN 610 -16.120 7.044 6.493 521 HB2 ASN 610 HB2 ASN 610 -17.434 6.653 3.802 522 HB3 ASN 610 HB1 ASN 610 -17.689 5.538 5.130 523 HD21 ASN 610 HD21 ASN 610 -17.401 9.040 5.427 524 HD22 ASN 610 HD22 ASN 610 -19.023 9.299 5.938 525 HA PRO 611 HA PRO 611 -13.120 3.856 5.756 526 HB2 PRO 611 HB2 PRO 611 -14.108 1.985 7.490 527 HB3 PRO 611 HB1 PRO 611 -13.201 3.405 8.020 528 HG2 PRO 611 HG2 PRO 611 -16.155 2.958 7.952 529 HG3 PRO 611 HG1 PRO 611 -15.169 3.706 9.220 530 HD2 PRO 611 HD2 PRO 611 -16.615 5.158 7.457 531 HD3 PRO 611 HD1 PRO 611 -15.063 5.733 8.108 532 H ASP 612 HN ASP 612 -16.338 3.720 5.039 533 HA ASP 612 HA ASP 612 -16.784 1.153 3.925 534 HB2 ASP 612 HB2 ASP 612 -18.478 2.979 4.338 535 HB3 ASP 612 HB1 ASP 612 -17.832 3.811 2.945 536 H GLU 613 HN GLU 613 -15.248 4.019 2.890 537 HA GLU 613 HA GLU 613 -14.388 2.854 0.338 538 HB2 GLU 613 HB2 GLU 613 -14.468 5.617 1.454 539 HB3 GLU 613 HB1 GLU 613 -13.350 5.206 0.175 540 HG2 GLU 613 HG2 GLU 613 -15.113 4.746 -1.315 541 HG3 GLU 613 HG1 GLU 613 -16.343 4.919 -0.031 542 H ILE 614 HN ILE 614 -12.217 2.792 -0.075 543 HA ILE 614 HA ILE 614 -10.426 3.528 2.095 544 HB ILE 614 HB ILE 614 -10.372 1.020 1.111 545 HG12 ILE 614 HG12 ILE 614 -7.795 2.581 1.190 546 HG13 ILE 614 HG11 ILE 614 -8.656 2.041 2.624 547 HG21 ILE 614 HG21 ILE 614 -8.816 2.508 -1.020 548 HG22 ILE 614 HG22 ILE 614 -10.327 1.651 -1.286 549 HG23 ILE 614 HG23 ILE 614 -8.868 0.760 -0.829 550 HD11 ILE 614 HD11 ILE 614 -6.786 0.537 2.046 551 HD12 ILE 614 HD12 ILE 614 -7.539 0.225 0.480 552 HD13 ILE 614 HD13 ILE 614 -8.341 -0.288 1.955 553 H GLU 615 HN GLU 615 -8.987 5.154 1.465 554 HA GLU 615 HA GLU 615 -9.205 5.966 -1.322 555 HB2 GLU 615 HB2 GLU 615 -10.609 7.454 0.070 556 HB3 GLU 615 HB1 GLU 615 -9.223 7.809 1.090 557 HG2 GLU 615 HG2 GLU 615 -9.623 9.630 -0.433 558 HG3 GLU 615 HG1 GLU 615 -8.103 8.831 -0.813 559 H ILE 616 HN ILE 616 -7.343 5.372 -2.030 560 HA ILE 616 HA ILE 616 -5.026 5.807 -0.305 561 HB ILE 616 HB ILE 616 -5.254 3.838 -2.592 562 HG12 ILE 616 HG12 ILE 616 -5.324 3.414 0.388 563 HG13 ILE 616 HG11 ILE 616 -6.702 3.251 -0.697 564 HG21 ILE 616 HG21 ILE 616 -2.960 4.626 -2.178 565 HG22 ILE 616 HG22 ILE 616 -3.143 2.942 -1.689 566 HG23 ILE 616 HG23 ILE 616 -3.126 4.217 -0.470 567 HD11 ILE 616 HD11 ILE 616 -5.647 1.350 -1.765 568 HD12 ILE 616 HD12 ILE 616 -5.751 1.096 -0.025 569 HD13 ILE 616 HD13 ILE 616 -4.214 1.558 -0.757 570 H ASP 617 HN ASP 617 -3.667 7.188 -0.845 571 HA ASP 617 HA ASP 617 -3.139 7.862 -3.657 572 HB2 ASP 617 HB2 ASP 617 -4.270 9.738 -2.434 573 HB3 ASP 617 HB1 ASP 617 -2.976 9.703 -1.241 574 H PHE 618 HN PHE 618 -1.253 6.946 -3.990 575 HA PHE 618 HA PHE 618 0.350 6.086 -1.810 576 HB2 PHE 618 HB2 PHE 618 0.798 5.908 -4.789 577 HB3 PHE 618 HB1 PHE 618 1.875 5.212 -3.585 578 HD1 PHE 618 HD1 PHE 618 1.279 3.213 -2.392 579 HD2 PHE 618 HD2 PHE 618 -1.443 4.943 -5.171 580 HE1 PHE 618 HE1 PHE 618 -0.048 1.145 -2.373 581 HE2 PHE 618 HE2 PHE 618 -2.778 2.863 -5.152 582 HZ PHE 618 HZ PHE 618 -2.065 0.954 -3.732 583 H GLU 619 HN GLU 619 0.173 9.085 -3.299 584 HA GLU 619 HA GLU 619 3.026 9.616 -3.061 585 HB2 GLU 619 HB2 GLU 619 0.862 11.500 -3.971 586 HB3 GLU 619 HB1 GLU 619 2.588 11.682 -4.174 587 HG2 GLU 619 HG2 GLU 619 0.860 9.627 -5.555 588 HG3 GLU 619 HG1 GLU 619 1.491 11.101 -6.285 589 H THR 620 HN THR 620 -0.101 10.430 -1.581 590 HA THR 620 HA THR 620 1.104 12.370 0.176 591 HB THR 620 HB THR 620 -1.084 12.370 1.374 592 HG1 THR 620 HG1 THR 620 -2.469 10.851 1.053 593 HG21 THR 620 HG21 THR 620 -1.287 12.642 -1.633 594 HG22 THR 620 HG22 THR 620 -0.739 13.892 -0.514 595 HG23 THR 620 HG23 THR 620 -2.413 13.336 -0.465 596 H LEU 621 HN LEU 621 0.582 9.039 0.190 597 HA LEU 621 HA LEU 621 0.796 8.582 2.975 598 HB2 LEU 621 HB2 LEU 621 1.185 6.858 0.581 599 HB3 LEU 621 HB1 LEU 621 1.463 6.267 2.212 600 HG LEU 621 HG LEU 621 -1.176 7.343 1.225 601 HD11 LEU 621 HD11 LEU 621 -0.184 4.541 1.634 602 HD12 LEU 621 HD12 LEU 621 -0.564 5.278 0.072 603 HD13 LEU 621 HD13 LEU 621 -1.848 4.975 1.250 604 HD21 LEU 621 HD21 LEU 621 -0.342 5.860 3.690 605 HD22 LEU 621 HD22 LEU 621 -2.004 6.274 3.241 606 HD23 LEU 621 HD23 LEU 621 -0.848 7.553 3.619 607 H LYS 622 HN LYS 622 2.467 8.238 4.203 608 HA LYS 622 HA LYS 622 5.096 8.924 3.229 609 HB2 LYS 622 HB2 LYS 622 4.135 8.074 5.977 610 HB3 LYS 622 HB1 LYS 622 5.772 8.582 5.618 611 HG2 LYS 622 HG2 LYS 622 4.900 10.805 4.984 612 HG3 LYS 622 HG1 LYS 622 3.284 10.272 5.451 613 HD2 LYS 622 HD2 LYS 622 4.122 9.817 7.724 614 HD3 LYS 622 HD1 LYS 622 5.704 10.417 7.240 615 HE2 LYS 622 HE2 LYS 622 4.736 12.615 6.768 616 HE3 LYS 622 HE1 LYS 622 3.146 12.019 7.243 617 HZ1 LYS 622 HZ1 LYS 622 4.057 11.576 9.465 618 HZ2 LYS 622 HZ2 LYS 622 4.117 13.200 9.075 619 HZ3 LYS 622 HZ3 LYS 622 5.526 12.263 9.002 620 HA PRO 623 HA PRO 623 6.617 4.861 2.346 621 HB2 PRO 623 HB2 PRO 623 8.981 4.868 3.860 622 HB3 PRO 623 HB1 PRO 623 8.798 5.455 2.208 623 HG2 PRO 623 HG2 PRO 623 8.766 6.975 4.771 624 HG3 PRO 623 HG1 PRO 623 9.476 7.423 3.212 625 HD2 PRO 623 HD2 PRO 623 7.191 8.503 4.018 626 HD3 PRO 623 HD1 PRO 623 7.418 8.045 2.318 627 H THR 624 HN THR 624 6.395 5.851 5.696 628 HA THR 624 HA THR 624 6.782 3.376 6.953 629 HB THR 624 HB THR 624 5.407 4.604 8.758 630 HG1 THR 624 HG1 THR 624 4.931 6.693 8.328 631 HG21 THR 624 HG21 THR 624 7.354 6.025 9.312 632 HG22 THR 624 HG22 THR 624 7.964 5.804 7.666 633 HG23 THR 624 HG23 THR 624 7.874 4.433 8.754 634 H THR 625 HN THR 625 3.908 5.019 5.832 635 HA THR 625 HA THR 625 2.254 2.833 6.660 636 HB THR 625 HB THR 625 1.634 5.325 5.083 637 HG1 THR 625 HG1 THR 625 1.549 4.624 7.825 638 HG21 THR 625 HG21 THR 625 -0.192 3.380 6.534 639 HG22 THR 625 HG22 THR 625 -0.070 3.580 4.782 640 HG23 THR 625 HG23 THR 625 -0.697 4.894 5.777 641 H LEU 626 HN LEU 626 3.455 4.200 3.625 642 HA LEU 626 HA LEU 626 2.227 2.568 1.760 643 HB2 LEU 626 HB2 LEU 626 5.006 3.688 1.824 644 HB3 LEU 626 HB1 LEU 626 4.396 2.792 0.448 645 HG LEU 626 HG LEU 626 3.007 5.220 1.507 646 HD11 LEU 626 HD11 LEU 626 4.141 6.455 -0.332 647 HD12 LEU 626 HD12 LEU 626 5.090 5.016 -0.704 648 HD13 LEU 626 HD13 LEU 626 5.311 5.848 0.837 649 HD21 LEU 626 HD21 LEU 626 1.688 3.761 0.100 650 HD22 LEU 626 HD22 LEU 626 2.956 3.770 -1.127 651 HD23 LEU 626 HD23 LEU 626 2.074 5.249 -0.764 652 H ARG 627 HN ARG 627 5.299 1.894 3.427 653 HA ARG 627 HA ARG 627 5.586 -0.659 2.300 654 HB2 ARG 627 HB2 ARG 627 7.404 0.683 3.473 655 HB3 ARG 627 HB1 ARG 627 6.674 0.166 4.990 656 HG2 ARG 627 HG2 ARG 627 6.922 -2.201 4.164 657 HG3 ARG 627 HG1 ARG 627 7.905 -1.547 2.868 658 HD2 ARG 627 HD2 ARG 627 9.430 -0.586 4.572 659 HD3 ARG 627 HD1 ARG 627 8.481 -1.398 5.824 660 HE ARG 627 HE ARG 627 9.575 -2.922 3.608 661 HH11 ARG 627 HH11 ARG 627 9.774 -2.211 7.170 662 HH12 ARG 627 HH12 ARG 627 10.682 -3.575 7.497 663 HH21 ARG 627 HH21 ARG 627 10.859 -4.802 4.141 664 HH22 ARG 627 HH22 ARG 627 11.353 -5.073 5.741 665 H GLU 628 HN GLU 628 3.877 0.529 5.161 666 HA GLU 628 HA GLU 628 3.614 -1.899 6.534 667 HB2 GLU 628 HB2 GLU 628 3.203 0.504 7.337 668 HB3 GLU 628 HB1 GLU 628 1.616 0.351 6.593 669 HG2 GLU 628 HG2 GLU 628 1.403 -0.118 8.910 670 HG3 GLU 628 HG1 GLU 628 1.218 -1.638 8.032 671 H LEU 629 HN LEU 629 1.654 -0.277 4.107 672 HA LEU 629 HA LEU 629 -0.592 -1.993 3.943 673 HB2 LEU 629 HB2 LEU 629 0.777 -0.756 1.559 674 HB3 LEU 629 HB1 LEU 629 -0.928 -1.124 1.758 675 HG LEU 629 HG LEU 629 0.603 1.120 3.061 676 HD11 LEU 629 HD11 LEU 629 0.276 1.482 0.711 677 HD12 LEU 629 HD12 LEU 629 -0.800 2.539 1.634 678 HD13 LEU 629 HD13 LEU 629 -1.436 1.093 0.860 679 HD21 LEU 629 HD21 LEU 629 -1.509 1.920 3.861 680 HD22 LEU 629 HD22 LEU 629 -1.262 0.284 4.490 681 HD23 LEU 629 HD23 LEU 629 -2.353 0.563 3.135 682 H GLU 630 HN GLU 630 2.482 -1.932 2.151 683 HA GLU 630 HA GLU 630 1.983 -4.125 0.516 684 HB2 GLU 630 HB2 GLU 630 3.724 -2.309 0.170 685 HB3 GLU 630 HB1 GLU 630 4.728 -3.188 1.318 686 HG2 GLU 630 HG2 GLU 630 4.495 -5.200 -0.153 687 HG3 GLU 630 HG1 GLU 630 3.712 -4.166 -1.330 688 H ARG 631 HN ARG 631 3.713 -3.868 3.565 689 HA ARG 631 HA ARG 631 4.792 -6.497 3.730 690 HB2 ARG 631 HB2 ARG 631 3.914 -4.716 6.018 691 HB3 ARG 631 HB1 ARG 631 4.952 -6.122 6.172 692 HG2 ARG 631 HG2 ARG 631 6.723 -5.062 5.069 693 HG3 ARG 631 HG1 ARG 631 5.661 -3.800 4.437 694 HD2 ARG 631 HD2 ARG 631 6.803 -2.744 6.183 695 HD3 ARG 631 HD1 ARG 631 5.255 -3.176 6.879 696 HE ARG 631 HE ARG 631 7.313 -5.098 7.308 697 HH11 ARG 631 HH11 ARG 631 5.387 -2.517 8.755 698 HH12 ARG 631 HH12 ARG 631 6.420 -2.295 10.091 699 HH21 ARG 631 HH21 ARG 631 8.728 -4.811 9.274 700 HH22 ARG 631 HH22 ARG 631 8.283 -3.635 10.410 701 H TYR 632 HN TYR 632 1.725 -5.187 4.484 702 HA TYR 632 HA TYR 632 0.878 -7.496 5.952 703 HB2 TYR 632 HB2 TYR 632 0.029 -5.422 6.700 704 HB3 TYR 632 HB1 TYR 632 -0.598 -5.009 5.102 705 HD1 TYR 632 HD1 TYR 632 -2.693 -5.765 4.411 706 HD2 TYR 632 HD2 TYR 632 -0.999 -7.297 7.983 707 HE1 TYR 632 HE1 TYR 632 -4.783 -6.829 4.893 708 HE2 TYR 632 HE2 TYR 632 -3.119 -8.400 8.528 709 HH TYR 632 HH TYR 632 -5.616 -8.714 6.253 710 H VAL 633 HN VAL 633 -0.025 -5.946 2.883 711 HA VAL 633 HA VAL 633 -1.772 -7.948 2.096 712 HB VAL 633 HB VAL 633 -1.587 -7.145 -0.208 713 HG11 VAL 633 HG11 VAL 633 -2.876 -5.759 1.376 714 HG12 VAL 633 HG12 VAL 633 -2.167 -4.822 0.070 715 HG13 VAL 633 HG13 VAL 633 -1.418 -4.804 1.669 716 HG21 VAL 633 HG21 VAL 633 0.038 -5.359 -0.822 717 HG22 VAL 633 HG22 VAL 633 0.797 -6.906 -0.427 718 HG23 VAL 633 HG23 VAL 633 0.798 -5.602 0.757 719 H LYS 634 HN LYS 634 1.741 -7.755 1.646 720 HA LYS 634 HA LYS 634 1.889 -10.076 0.060 721 HB2 LYS 634 HB2 LYS 634 4.307 -9.928 0.306 722 HB3 LYS 634 HB1 LYS 634 3.622 -8.302 0.263 723 HG2 LYS 634 HG2 LYS 634 3.904 -8.040 2.603 724 HG3 LYS 634 HG1 LYS 634 4.473 -9.701 2.768 725 HD2 LYS 634 HD2 LYS 634 6.345 -8.094 2.758 726 HD3 LYS 634 HD1 LYS 634 6.423 -9.185 1.375 727 HE2 LYS 634 HE2 LYS 634 5.432 -7.451 -0.047 728 HE3 LYS 634 HE1 LYS 634 5.307 -6.383 1.348 729 HZ1 LYS 634 HZ1 LYS 634 7.843 -7.367 0.128 730 HZ2 LYS 634 HZ2 LYS 634 7.720 -6.361 1.481 731 HZ3 LYS 634 HZ3 LYS 634 7.181 -5.819 0.005 732 H SER 635 HN SER 635 1.930 -9.550 3.538 733 HA SER 635 HA SER 635 2.668 -12.163 4.280 734 HB2 SER 635 HB2 SER 635 2.794 -10.243 5.824 735 HB3 SER 635 HB1 SER 635 1.046 -10.063 5.756 736 HG SER 635 HG SER 635 2.351 -12.410 6.659 737 H CYS 636 HN CYS 636 -0.351 -10.654 3.372 738 HA CYS 636 HA CYS 636 -1.937 -12.846 4.272 739 HB2 CYS 636 HB2 CYS 636 -2.764 -10.470 4.157 740 HB3 CYS 636 HB1 CYS 636 -2.751 -10.607 2.404 741 HG CYS 636 HG CYS 636 -4.657 -12.448 4.544 742 H LEU 637 HN LEU 637 -0.472 -11.820 1.218 743 HA LEU 637 HA LEU 637 -1.689 -13.932 -0.251 744 HB2 LEU 637 HB2 LEU 637 0.452 -11.962 -0.848 745 HB3 LEU 637 HB1 LEU 637 0.361 -13.385 -1.865 746 HG LEU 637 HG LEU 637 -0.759 -11.611 -2.977 747 HD11 LEU 637 HD11 LEU 637 -2.984 -12.491 -3.310 748 HD12 LEU 637 HD12 LEU 637 -2.867 -13.419 -1.825 749 HD13 LEU 637 HD13 LEU 637 -1.806 -13.800 -3.184 750 HD21 LEU 637 HD21 LEU 637 -2.452 -11.250 -0.511 751 HD22 LEU 637 HD22 LEU 637 -2.696 -10.422 -2.047 752 HD23 LEU 637 HD23 LEU 637 -1.230 -10.132 -1.111 753 H GLN 638 HN GLN 638 1.194 -13.709 1.660 754 HA GLN 638 HA GLN 638 2.427 -16.070 0.824 755 HB2 GLN 638 HB2 GLN 638 2.363 -14.723 3.460 756 HB3 GLN 638 HB1 GLN 638 3.370 -16.137 3.190 757 HG2 GLN 638 HG2 GLN 638 3.486 -13.601 1.637 758 HG3 GLN 638 HG1 GLN 638 4.568 -13.951 3.001 759 HE21 GLN 638 HE21 GLN 638 4.751 -16.816 2.056 760 HE22 GLN 638 HE22 GLN 638 5.818 -16.729 0.711 761 H LYS 639 HN LYS 639 0.267 -15.435 3.549 762 HA LYS 639 HA LYS 639 -0.228 -18.265 3.869 763 HB2 LYS 639 HB2 LYS 639 -1.274 -15.919 5.478 764 HB3 LYS 639 HB1 LYS 639 -1.463 -17.618 5.896 765 HG2 LYS 639 HG2 LYS 639 0.971 -17.838 6.085 766 HG3 LYS 639 HG1 LYS 639 1.154 -16.133 5.694 767 HD2 LYS 639 HD2 LYS 639 1.337 -16.386 8.077 768 HD3 LYS 639 HD1 LYS 639 -0.193 -15.586 7.726 769 HE2 LYS 639 HE2 LYS 639 -0.501 -17.265 9.447 770 HE3 LYS 639 HE1 LYS 639 -1.354 -17.735 7.982 771 HZ1 LYS 639 HZ1 LYS 639 -0.140 -19.588 9.019 772 HZ2 LYS 639 HZ2 LYS 639 1.321 -18.767 8.763 773 HZ3 LYS 639 HZ3 LYS 639 0.397 -19.277 7.457 774 H LYS 640 HN LYS 640 -1.055 -18.084 1.665 775 HA LYS 640 HA LYS 640 -3.968 -17.950 1.622 776 HB2 LYS 640 HB2 LYS 640 -2.966 -15.660 1.006 777 HB3 LYS 640 HB1 LYS 640 -2.225 -16.454 -0.357 778 HG2 LYS 640 HG2 LYS 640 -4.188 -15.240 -1.048 779 HG3 LYS 640 HG1 LYS 640 -4.419 -16.966 -1.277 780 HD2 LYS 640 HD2 LYS 640 -6.459 -16.022 -0.419 781 HD3 LYS 640 HD1 LYS 640 -5.735 -17.029 0.818 782 HE2 LYS 640 HE2 LYS 640 -5.403 -14.016 0.757 783 HE3 LYS 640 HE1 LYS 640 -6.754 -14.797 1.560 784 HZ1 LYS 640 HZ1 LYS 640 -5.078 -14.338 3.188 785 HZ2 LYS 640 HZ2 LYS 640 -3.870 -14.979 2.272 786 HZ3 LYS 640 HZ3 LYS 640 -5.037 -16.002 2.941 787 H GLN 641 HN GLN 641 -1.821 -19.953 1.550 788 HA GLN 641 HA GLN 641 -2.026 -20.885 -1.221 789 HB2 GLN 641 HB2 GLN 641 0.278 -21.174 0.703 790 HB3 GLN 641 HB1 GLN 641 0.177 -22.000 -0.841 791 HG2 GLN 641 HG2 GLN 641 0.165 -19.860 -2.008 792 HG3 GLN 641 HG1 GLN 641 0.209 -19.010 -0.465 793 HE21 GLN 641 HE21 GLN 641 2.116 -18.960 0.703 794 HE22 GLN 641 HE22 GLN 641 3.631 -19.428 0.029 795 H ARG 642 HN ARG 642 -2.567 -22.960 -1.557 796 HA ARG 642 HA ARG 642 -3.692 -24.482 0.621 797 HB2 ARG 642 HB2 ARG 642 -4.621 -24.327 -1.772 798 HB3 ARG 642 HB1 ARG 642 -3.277 -25.351 -2.250 799 HG2 ARG 642 HG2 ARG 642 -5.190 -26.732 -2.002 800 HG3 ARG 642 HG1 ARG 642 -4.134 -27.063 -0.625 801 HD2 ARG 642 HD2 ARG 642 -6.494 -26.858 0.043 802 HD3 ARG 642 HD1 ARG 642 -5.495 -25.607 0.786 803 HE ARG 642 HE ARG 642 -6.666 -24.784 -1.682 804 HH11 ARG 642 HH11 ARG 642 -7.406 -25.140 1.776 805 HH12 ARG 642 HH12 ARG 642 -8.525 -23.868 1.813 806 HH21 ARG 642 HH21 ARG 642 -8.172 -23.023 -1.610 807 HH22 ARG 642 HH22 ARG 642 -8.978 -22.635 -0.166 808 H LYS 643 HN LYS 643 -2.205 -25.463 1.904 809 HA LYS 643 HA LYS 643 -0.200 -27.130 0.703 810 HB2 LYS 643 HB2 LYS 643 0.981 -25.052 0.582 811 HB3 LYS 643 HB1 LYS 643 0.557 -24.638 2.230 812 HG2 LYS 643 HG2 LYS 643 2.903 -25.311 2.049 813 HG3 LYS 643 HG1 LYS 643 1.995 -26.428 3.067 814 HD2 LYS 643 HD2 LYS 643 1.816 -27.987 1.188 815 HD3 LYS 643 HD1 LYS 643 2.720 -26.866 0.170 816 HE2 LYS 643 HE2 LYS 643 4.153 -28.650 1.011 817 HE3 LYS 643 HE1 LYS 643 4.650 -27.079 1.635 818 HZ1 LYS 643 HZ1 LYS 643 4.702 -28.785 3.340 819 HZ2 LYS 643 HZ2 LYS 643 3.054 -29.097 3.197 820 HZ3 LYS 643 HZ3 LYS 643 3.590 -27.611 3.740 821 HA PRO 644 HA PRO 644 -0.987 -28.921 4.772 822 HB2 PRO 644 HB2 PRO 644 0.064 -31.387 3.697 823 HB3 PRO 644 HB1 PRO 644 -1.610 -31.035 4.117 824 HG2 PRO 644 HG2 PRO 644 -0.726 -31.451 1.544 825 HG3 PRO 644 HG1 PRO 644 -2.169 -30.513 1.965 826 HD2 PRO 644 HD2 PRO 644 0.566 -29.571 1.253 827 HD3 PRO 644 HD1 PRO 644 -1.024 -28.910 0.797 Start of MODEL 20 1 H1 LYS 290 HT1 LYS 290 -6.809 10.108 -19.244 2 H2 LYS 290 HT2 LYS 290 -6.476 10.924 -17.829 3 H3 LYS 290 HT3 LYS 290 -8.074 10.838 -18.371 4 HA LYS 290 HA LYS 290 -7.620 9.413 -16.519 5 HB2 LYS 290 HB2 LYS 290 -8.430 7.249 -17.498 6 HB3 LYS 290 HB1 LYS 290 -9.364 8.628 -18.016 7 HG2 LYS 290 HG2 LYS 290 -9.137 7.155 -19.883 8 HG3 LYS 290 HG1 LYS 290 -8.103 8.541 -20.205 9 HD2 LYS 290 HD2 LYS 290 -6.150 7.259 -19.539 10 HD3 LYS 290 HD1 LYS 290 -7.162 5.885 -19.115 11 HE2 LYS 290 HE2 LYS 290 -6.897 7.069 -21.884 12 HE3 LYS 290 HE1 LYS 290 -6.035 5.650 -21.303 13 HZ1 LYS 290 HZ1 LYS 290 -9.002 5.864 -21.534 14 HZ2 LYS 290 HZ2 LYS 290 -8.121 4.507 -21.033 15 HZ3 LYS 290 HZ3 LYS 290 -7.970 5.066 -22.597 16 H VAL 291 HN VAL 291 -6.519 7.616 -15.667 17 HA VAL 291 HA VAL 291 -4.438 6.247 -16.881 18 HB VAL 291 HB VAL 291 -3.258 8.440 -16.965 19 HG11 VAL 291 HG11 VAL 291 -4.211 9.554 -15.045 20 HG12 VAL 291 HG12 VAL 291 -2.450 9.548 -14.934 21 HG13 VAL 291 HG13 VAL 291 -3.398 8.428 -13.957 22 HG21 VAL 291 HG21 VAL 291 -1.139 7.745 -15.905 23 HG22 VAL 291 HG22 VAL 291 -1.904 6.435 -16.807 24 HG23 VAL 291 HG23 VAL 291 -2.007 6.471 -15.048 25 H ALA 292 HN ALA 292 -5.952 7.550 -14.052 26 HA ALA 292 HA ALA 292 -6.251 6.929 -11.985 27 HB1 ALA 292 HB1 ALA 292 -6.923 4.680 -12.817 28 HB2 ALA 292 HB2 ALA 292 -6.062 4.548 -11.284 29 HB3 ALA 292 HB3 ALA 292 -5.234 4.179 -12.797 30 HA PRO 293 HA PRO 293 -1.954 8.135 -11.267 31 HB2 PRO 293 HB2 PRO 293 -2.500 10.077 -9.505 32 HB3 PRO 293 HB1 PRO 293 -2.858 10.279 -11.225 33 HG2 PRO 293 HG2 PRO 293 -4.690 9.479 -8.996 34 HG3 PRO 293 HG1 PRO 293 -4.943 10.709 -10.246 35 HD2 PRO 293 HD2 PRO 293 -5.982 8.239 -10.414 36 HD3 PRO 293 HD1 PRO 293 -5.469 9.151 -11.851 37 H LEU 294 HN LEU 294 -2.928 5.850 -10.069 38 HA LEU 294 HA LEU 294 -3.050 4.548 -8.316 39 HB2 LEU 294 HB2 LEU 294 -0.333 5.748 -7.865 40 HB3 LEU 294 HB1 LEU 294 -0.946 4.444 -6.880 41 HG LEU 294 HG LEU 294 -0.362 4.336 -9.846 42 HD11 LEU 294 HD11 LEU 294 0.821 2.803 -7.538 43 HD12 LEU 294 HD12 LEU 294 1.581 4.205 -8.290 44 HD13 LEU 294 HD13 LEU 294 1.317 2.725 -9.220 45 HD21 LEU 294 HD21 LEU 294 -0.977 1.971 -9.708 46 HD22 LEU 294 HD22 LEU 294 -2.366 2.994 -9.365 47 HD23 LEU 294 HD23 LEU 294 -1.505 2.190 -8.047 48 H LYS 295 HN LYS 295 -4.837 5.961 -7.750 49 HA LYS 295 HA LYS 295 -4.638 5.855 -4.919 50 HB2 LYS 295 HB2 LYS 295 -6.024 7.771 -4.510 51 HB3 LYS 295 HB1 LYS 295 -4.609 8.295 -5.390 52 HG2 LYS 295 HG2 LYS 295 -5.860 8.638 -7.389 53 HG3 LYS 295 HG1 LYS 295 -7.280 7.832 -6.716 54 HD2 LYS 295 HD2 LYS 295 -6.083 10.398 -5.641 55 HD3 LYS 295 HD1 LYS 295 -7.489 10.311 -6.705 56 HE2 LYS 295 HE2 LYS 295 -8.720 9.043 -5.020 57 HE3 LYS 295 HE1 LYS 295 -7.324 8.995 -3.968 58 HZ1 LYS 295 HZ1 LYS 295 -8.785 10.626 -3.187 59 HZ2 LYS 295 HZ2 LYS 295 -8.918 11.387 -4.686 60 HZ3 LYS 295 HZ3 LYS 295 -7.467 11.453 -3.837 61 H ILE 296 HN ILE 296 -6.077 4.590 -4.191 62 HA ILE 296 HA ILE 296 -8.249 3.904 -6.010 63 HB ILE 296 HB ILE 296 -6.486 2.254 -6.282 64 HG12 ILE 296 HG12 ILE 296 -8.816 1.098 -4.727 65 HG13 ILE 296 HG11 ILE 296 -8.814 1.475 -6.446 66 HG21 ILE 296 HG21 ILE 296 -5.756 0.784 -4.460 67 HG22 ILE 296 HG22 ILE 296 -6.720 1.736 -3.329 68 HG23 ILE 296 HG23 ILE 296 -5.355 2.479 -4.158 69 HD11 ILE 296 HD11 ILE 296 -8.528 -0.903 -6.040 70 HD12 ILE 296 HD12 ILE 296 -7.080 -0.572 -5.090 71 HD13 ILE 296 HD13 ILE 296 -7.105 -0.212 -6.817 72 H LYS 297 HN LYS 297 -10.132 3.339 -5.127 73 HA LYS 297 HA LYS 297 -10.379 3.588 -2.228 74 HB2 LYS 297 HB2 LYS 297 -12.407 4.194 -4.387 75 HB3 LYS 297 HB1 LYS 297 -12.713 4.280 -2.659 76 HG2 LYS 297 HG2 LYS 297 -11.063 6.047 -2.454 77 HG3 LYS 297 HG1 LYS 297 -10.770 5.987 -4.199 78 HD2 LYS 297 HD2 LYS 297 -13.154 6.538 -4.554 79 HD3 LYS 297 HD1 LYS 297 -13.352 6.664 -2.805 80 HE2 LYS 297 HE2 LYS 297 -11.551 8.348 -4.532 81 HE3 LYS 297 HE1 LYS 297 -13.069 8.850 -3.788 82 HZ1 LYS 297 HZ1 LYS 297 -12.011 8.423 -1.595 83 HZ2 LYS 297 HZ2 LYS 297 -11.279 9.637 -2.478 84 HZ3 LYS 297 HZ3 LYS 297 -10.530 8.157 -2.378 85 H LEU 298 HN LEU 298 -11.780 2.135 -1.263 86 HA LEU 298 HA LEU 298 -11.841 -0.416 -2.604 87 HB2 LEU 298 HB2 LEU 298 -11.256 0.109 -0.087 88 HB3 LEU 298 HB1 LEU 298 -12.986 0.193 0.129 89 HG LEU 298 HG LEU 298 -11.837 -1.937 0.825 90 HD11 LEU 298 HD11 LEU 298 -14.264 -1.895 0.447 91 HD12 LEU 298 HD12 LEU 298 -13.583 -3.436 -0.077 92 HD13 LEU 298 HD13 LEU 298 -14.011 -2.209 -1.268 93 HD21 LEU 298 HD21 LEU 298 -11.239 -3.563 -0.912 94 HD22 LEU 298 HD22 LEU 298 -10.271 -2.097 -1.096 95 HD23 LEU 298 HD23 LEU 298 -11.631 -2.397 -2.160 96 H GLY 299 HN GLY 299 -13.760 -1.472 -3.177 97 HA2 GLY 299 HA2 GLY 299 -15.860 0.278 -3.980 98 HA3 GLY 299 HA1 GLY 299 -15.794 -1.458 -4.233 99 H GLY 300 HN GLY 300 -16.201 0.882 -1.644 100 HA2 GLY 300 HA2 GLY 300 -18.304 -0.817 -0.506 101 HA3 GLY 300 HA1 GLY 300 -17.311 0.313 0.419 102 H PHE 301 HN PHE 301 -20.248 -0.076 -0.869 103 HA PHE 301 HA PHE 301 -20.606 2.829 -1.198 104 HB2 PHE 301 HB2 PHE 301 -22.020 0.667 -2.783 105 HB3 PHE 301 HB1 PHE 301 -22.299 2.396 -2.932 106 HD1 PHE 301 HD1 PHE 301 -20.329 -0.389 -4.012 107 HD2 PHE 301 HD2 PHE 301 -20.390 3.856 -3.728 108 HE1 PHE 301 HE1 PHE 301 -18.533 -0.255 -5.684 109 HE2 PHE 301 HE2 PHE 301 -18.595 3.995 -5.406 110 HZ PHE 301 HZ PHE 301 -17.663 1.939 -6.378 111 H ALA 557 HN ALA 557 34.480 0.980 13.668 112 HA ALA 557 HA ALA 557 34.276 1.475 11.487 113 HB1 ALA 557 HB1 ALA 557 34.516 -1.526 11.199 114 HB2 ALA 557 HB2 ALA 557 35.863 -0.400 11.345 115 HB3 ALA 557 HB3 ALA 557 34.809 -0.337 9.931 116 H SER 558 HN SER 558 31.985 0.136 13.124 117 HA SER 558 HA SER 558 30.098 -0.976 11.402 118 HB2 SER 558 HB2 SER 558 29.913 -0.981 13.893 119 HB3 SER 558 HB1 SER 558 29.511 0.733 13.841 120 HG SER 558 HG SER 558 27.522 0.198 13.393 121 H ALA 559 HN ALA 559 30.474 2.440 12.345 122 HA ALA 559 HA ALA 559 28.529 3.138 10.312 123 HB1 ALA 559 HB1 ALA 559 28.330 4.207 12.515 124 HB2 ALA 559 HB2 ALA 559 28.596 5.385 11.234 125 HB3 ALA 559 HB3 ALA 559 29.927 4.923 12.299 126 H SER 560 HN SER 560 30.201 2.185 8.887 127 HA SER 560 HA SER 560 31.524 4.401 7.528 128 HB2 SER 560 HB2 SER 560 32.952 1.820 8.244 129 HB3 SER 560 HB1 SER 560 33.606 3.114 7.238 130 HG SER 560 HG SER 560 32.697 4.116 9.531 131 H TYR 561 HN TYR 561 29.205 2.425 7.327 132 HA TYR 561 HA TYR 561 29.739 1.558 4.590 133 HB2 TYR 561 HB2 TYR 561 28.201 -0.093 6.616 134 HB3 TYR 561 HB1 TYR 561 28.628 -0.547 4.973 135 HD1 TYR 561 HD1 TYR 561 31.403 -0.234 4.677 136 HD2 TYR 561 HD2 TYR 561 29.294 -1.327 8.201 137 HE1 TYR 561 HE1 TYR 561 33.420 -1.375 5.530 138 HE2 TYR 561 HE2 TYR 561 31.293 -2.451 9.064 139 HH TYR 561 HH TYR 561 33.308 -3.435 8.239 140 H ASP 562 HN ASP 562 27.788 1.631 3.327 141 HA ASP 562 HA ASP 562 25.890 3.485 4.427 142 HB2 ASP 562 HB2 ASP 562 26.254 2.300 1.741 143 HB3 ASP 562 HB1 ASP 562 24.778 3.171 2.116 144 H SER 563 HN SER 563 24.882 2.551 5.798 145 HA SER 563 HA SER 563 22.964 0.522 5.004 146 HB2 SER 563 HB2 SER 563 24.423 0.593 7.669 147 HB3 SER 563 HB1 SER 563 23.164 -0.559 7.221 148 HG SER 563 HG SER 563 25.063 -0.470 5.346 149 H GLU 564 HN GLU 564 20.912 0.772 6.020 150 HA GLU 564 HA GLU 564 20.622 3.151 7.622 151 HB2 GLU 564 HB2 GLU 564 18.740 3.902 6.246 152 HB3 GLU 564 HB1 GLU 564 20.258 3.925 5.371 153 HG2 GLU 564 HG2 GLU 564 19.564 1.714 4.370 154 HG3 GLU 564 HG1 GLU 564 17.970 1.998 5.073 155 H GLU 565 HN GLU 565 18.636 3.228 8.758 156 HA GLU 565 HA GLU 565 17.694 0.529 9.377 157 HB2 GLU 565 HB2 GLU 565 17.178 1.362 11.614 158 HB3 GLU 565 HB1 GLU 565 18.864 1.638 11.227 159 HG2 GLU 565 HG2 GLU 565 16.714 3.760 11.083 160 HG3 GLU 565 HG1 GLU 565 17.781 3.509 12.462 161 H GLU 566 HN GLU 566 16.756 3.729 8.472 162 HA GLU 566 HA GLU 566 14.064 3.602 9.194 163 HB2 GLU 566 HB2 GLU 566 15.346 5.249 7.027 164 HB3 GLU 566 HB1 GLU 566 13.736 5.519 7.684 165 HG2 GLU 566 HG2 GLU 566 14.770 5.913 9.897 166 HG3 GLU 566 HG1 GLU 566 16.355 5.736 9.150 167 H GLU 567 HN GLU 567 13.105 1.855 8.667 168 HA GLU 567 HA GLU 567 13.012 0.635 6.064 169 HB2 GLU 567 HB2 GLU 567 12.880 -0.470 8.345 170 HB3 GLU 567 HB1 GLU 567 11.258 0.183 8.471 171 HG2 GLU 567 HG2 GLU 567 11.132 -2.087 7.747 172 HG3 GLU 567 HG1 GLU 567 10.679 -1.010 6.414 173 H GLU 568 HN GLU 568 11.564 3.212 7.518 174 HA GLU 568 HA GLU 568 9.240 3.109 5.753 175 HB2 GLU 568 HB2 GLU 568 8.244 4.666 7.518 176 HB3 GLU 568 HB1 GLU 568 8.300 2.939 7.871 177 HG2 GLU 568 HG2 GLU 568 10.448 3.479 9.135 178 HG3 GLU 568 HG1 GLU 568 9.970 5.173 8.982 179 H GLY 569 HN GLY 569 11.852 4.114 5.149 180 HA2 GLY 569 HA2 GLY 569 11.018 6.816 4.421 181 HA3 GLY 569 HA1 GLY 569 12.588 6.592 5.182 182 H LEU 570 HN LEU 570 11.385 4.115 3.101 183 HA LEU 570 HA LEU 570 13.569 4.646 1.262 184 HB2 LEU 570 HB2 LEU 570 11.658 2.308 1.422 185 HB3 LEU 570 HB1 LEU 570 13.061 2.427 0.389 186 HG LEU 570 HG LEU 570 13.185 2.357 3.406 187 HD11 LEU 570 HD11 LEU 570 13.701 0.194 1.377 188 HD12 LEU 570 HD12 LEU 570 12.355 0.254 2.514 189 HD13 LEU 570 HD13 LEU 570 14.006 0.074 3.107 190 HD21 LEU 570 HD21 LEU 570 15.076 3.507 2.350 191 HD22 LEU 570 HD22 LEU 570 15.339 2.107 1.310 192 HD23 LEU 570 HD23 LEU 570 15.568 1.965 3.051 193 HA PRO 571 HA PRO 571 10.516 6.561 -1.462 194 HB2 PRO 571 HB2 PRO 571 12.700 6.355 -3.437 195 HB3 PRO 571 HB1 PRO 571 11.816 7.783 -2.899 196 HG2 PRO 571 HG2 PRO 571 14.365 7.350 -2.165 197 HG3 PRO 571 HG1 PRO 571 13.201 8.124 -1.078 198 HD2 PRO 571 HD2 PRO 571 14.228 5.318 -1.078 199 HD3 PRO 571 HD1 PRO 571 13.856 6.394 0.289 200 H MET 572 HN MET 572 9.107 5.515 -2.676 201 HA MET 572 HA MET 572 9.879 2.868 -3.632 202 HB2 MET 572 HB2 MET 572 7.144 3.925 -2.891 203 HB3 MET 572 HB1 MET 572 7.440 2.328 -3.567 204 HG2 MET 572 HG2 MET 572 8.789 1.721 -1.657 205 HG3 MET 572 HG1 MET 572 8.644 3.341 -0.996 206 HE1 MET 572 HE1 MET 572 5.170 0.324 -1.214 207 HE2 MET 572 HE2 MET 572 6.783 0.004 -1.855 208 HE3 MET 572 HE3 MET 572 5.719 1.166 -2.661 209 H SER 573 HN SER 573 9.602 2.223 -5.629 210 HA SER 573 HA SER 573 9.564 4.275 -7.606 211 HB2 SER 573 HB2 SER 573 11.140 2.417 -7.758 212 HB3 SER 573 HB1 SER 573 9.814 1.263 -7.817 213 HG SER 573 HG SER 573 10.929 2.758 -9.797 214 H TYR 574 HN TYR 574 8.266 3.983 -9.620 215 HA TYR 574 HA TYR 574 5.489 3.947 -9.306 216 HB2 TYR 574 HB2 TYR 574 7.098 3.190 -11.758 217 HB3 TYR 574 HB1 TYR 574 5.363 3.441 -11.751 218 HD1 TYR 574 HD1 TYR 574 4.494 5.739 -11.204 219 HD2 TYR 574 HD2 TYR 574 8.583 4.972 -12.042 220 HE1 TYR 574 HE1 TYR 574 4.817 8.101 -11.750 221 HE2 TYR 574 HE2 TYR 574 8.926 7.350 -12.573 222 HH TYR 574 HH TYR 574 6.723 9.731 -11.780 223 H ASP 575 HN ASP 575 7.757 1.464 -10.170 224 HA ASP 575 HA ASP 575 6.053 -0.651 -10.816 225 HB2 ASP 575 HB2 ASP 575 8.386 -0.733 -11.372 226 HB3 ASP 575 HB1 ASP 575 8.841 -0.628 -9.675 227 H GLU 576 HN GLU 576 7.642 0.160 -7.797 228 HA GLU 576 HA GLU 576 6.737 -1.955 -6.277 229 HB2 GLU 576 HB2 GLU 576 7.508 0.818 -5.405 230 HB3 GLU 576 HB1 GLU 576 7.378 -0.575 -4.340 231 HG2 GLU 576 HG2 GLU 576 9.103 -1.712 -5.706 232 HG3 GLU 576 HG1 GLU 576 9.285 -0.241 -6.642 233 H LYS 577 HN LYS 577 5.488 1.330 -6.523 234 HA LYS 577 HA LYS 577 3.266 1.006 -4.828 235 HB2 LYS 577 HB2 LYS 577 3.792 2.892 -7.073 236 HB3 LYS 577 HB1 LYS 577 2.465 3.101 -5.933 237 HG2 LYS 577 HG2 LYS 577 4.112 3.209 -4.075 238 HG3 LYS 577 HG1 LYS 577 5.414 3.114 -5.252 239 HD2 LYS 577 HD2 LYS 577 3.336 5.312 -5.188 240 HD3 LYS 577 HD1 LYS 577 4.915 5.408 -4.419 241 HE2 LYS 577 HE2 LYS 577 5.995 5.167 -6.591 242 HE3 LYS 577 HE1 LYS 577 4.419 5.013 -7.369 243 HZ1 LYS 577 HZ1 LYS 577 3.864 7.238 -6.745 244 HZ2 LYS 577 HZ2 LYS 577 5.355 7.308 -7.499 245 HZ3 LYS 577 HZ3 LYS 577 5.253 7.413 -5.820 246 H ARG 578 HN ARG 578 3.583 0.771 -8.323 247 HA ARG 578 HA ARG 578 0.937 0.223 -9.037 248 HB2 ARG 578 HB2 ARG 578 2.630 0.653 -10.703 249 HB3 ARG 578 HB1 ARG 578 3.531 -0.763 -10.222 250 HG2 ARG 578 HG2 ARG 578 2.443 -1.196 -12.317 251 HG3 ARG 578 HG1 ARG 578 1.706 -2.185 -11.069 252 HD2 ARG 578 HD2 ARG 578 -0.231 -0.790 -10.991 253 HD3 ARG 578 HD1 ARG 578 0.532 0.432 -12.014 254 HE ARG 578 HE ARG 578 0.623 -1.792 -13.527 255 HH11 ARG 578 HH11 ARG 578 -2.121 -0.309 -11.849 256 HH12 ARG 578 HH12 ARG 578 -3.236 -0.637 -13.081 257 HH21 ARG 578 HH21 ARG 578 -0.906 -2.275 -15.206 258 HH22 ARG 578 HH22 ARG 578 -2.523 -1.781 -15.077 259 H GLN 579 HN GLN 579 3.529 -2.056 -8.188 260 HA GLN 579 HA GLN 579 2.044 -4.423 -8.401 261 HB2 GLN 579 HB2 GLN 579 4.610 -3.931 -8.164 262 HB3 GLN 579 HB1 GLN 579 4.291 -3.992 -6.448 263 HG2 GLN 579 HG2 GLN 579 3.743 -6.194 -8.389 264 HG3 GLN 579 HG1 GLN 579 5.199 -6.086 -7.397 265 HE21 GLN 579 HE21 GLN 579 1.916 -6.985 -7.583 266 HE22 GLN 579 HE22 GLN 579 1.718 -7.602 -5.995 267 H LEU 580 HN LEU 580 2.693 -2.237 -5.732 268 HA LEU 580 HA LEU 580 1.509 -3.582 -3.615 269 HB2 LEU 580 HB2 LEU 580 2.820 -1.279 -3.943 270 HB3 LEU 580 HB1 LEU 580 1.204 -0.635 -3.883 271 HG LEU 580 HG LEU 580 2.638 -2.168 -1.729 272 HD11 LEU 580 HD11 LEU 580 2.625 -0.080 -0.525 273 HD12 LEU 580 HD12 LEU 580 1.707 0.677 -1.826 274 HD13 LEU 580 HD13 LEU 580 3.349 0.138 -2.128 275 HD21 LEU 580 HD21 LEU 580 -0.152 -0.984 -1.616 276 HD22 LEU 580 HD22 LEU 580 0.709 -1.786 -0.300 277 HD23 LEU 580 HD23 LEU 580 0.230 -2.699 -1.720 278 H SER 581 HN SER 581 0.060 -1.314 -6.033 279 HA SER 581 HA SER 581 -2.522 -1.341 -4.956 280 HB2 SER 581 HB2 SER 581 -1.741 0.375 -6.510 281 HB3 SER 581 HB1 SER 581 -1.563 -0.825 -7.784 282 HG SER 581 HG SER 581 -4.036 -1.003 -6.852 283 H LEU 582 HN LEU 582 -0.860 -3.489 -7.201 284 HA LEU 582 HA LEU 582 -3.164 -4.884 -8.149 285 HB2 LEU 582 HB2 LEU 582 -0.317 -5.851 -7.975 286 HB3 LEU 582 HB1 LEU 582 -1.561 -6.501 -9.014 287 HG LEU 582 HG LEU 582 -0.299 -3.777 -9.218 288 HD11 LEU 582 HD11 LEU 582 -0.062 -6.206 -10.998 289 HD12 LEU 582 HD12 LEU 582 1.181 -5.595 -9.912 290 HD13 LEU 582 HD13 LEU 582 0.677 -4.633 -11.301 291 HD21 LEU 582 HD21 LEU 582 -1.542 -3.577 -11.344 292 HD22 LEU 582 HD22 LEU 582 -2.601 -3.656 -9.943 293 HD23 LEU 582 HD23 LEU 582 -2.389 -5.078 -10.970 294 H ASP 583 HN ASP 583 -0.858 -5.460 -5.562 295 HA ASP 583 HA ASP 583 -1.968 -7.935 -4.807 296 HB2 ASP 583 HB2 ASP 583 -0.083 -6.057 -3.464 297 HB3 ASP 583 HB1 ASP 583 -0.794 -7.370 -2.537 298 H ILE 584 HN ILE 584 -2.740 -4.688 -3.854 299 HA ILE 584 HA ILE 584 -4.558 -5.483 -1.806 300 HB ILE 584 HB ILE 584 -4.586 -2.901 -3.430 301 HG12 ILE 584 HG12 ILE 584 -3.459 -3.478 -0.703 302 HG13 ILE 584 HG11 ILE 584 -2.480 -3.306 -2.163 303 HG21 ILE 584 HG21 ILE 584 -5.891 -1.982 -1.582 304 HG22 ILE 584 HG22 ILE 584 -5.930 -3.592 -0.852 305 HG23 ILE 584 HG23 ILE 584 -6.732 -3.310 -2.394 306 HD11 ILE 584 HD11 ILE 584 -4.202 -1.239 -0.860 307 HD12 ILE 584 HD12 ILE 584 -3.267 -0.985 -2.337 308 HD13 ILE 584 HD13 ILE 584 -2.438 -1.300 -0.800 309 H ASN 585 HN ASN 585 -4.818 -5.042 -5.257 310 HA ASN 585 HA ASN 585 -7.647 -5.373 -5.441 311 HB2 ASN 585 HB2 ASN 585 -5.461 -5.811 -7.483 312 HB3 ASN 585 HB1 ASN 585 -7.164 -6.049 -7.840 313 HD21 ASN 585 HD21 ASN 585 -8.007 -3.771 -6.204 314 HD22 ASN 585 HD22 ASN 585 -7.552 -2.372 -7.100 315 H ARG 586 HN ARG 586 -4.983 -7.497 -5.222 316 HA ARG 586 HA ARG 586 -6.359 -9.909 -5.831 317 HB2 ARG 586 HB2 ARG 586 -3.777 -9.342 -4.404 318 HB3 ARG 586 HB1 ARG 586 -4.389 -10.972 -4.627 319 HG2 ARG 586 HG2 ARG 586 -4.286 -10.726 -7.022 320 HG3 ARG 586 HG1 ARG 586 -3.810 -9.037 -6.856 321 HD2 ARG 586 HD2 ARG 586 -1.701 -9.628 -5.947 322 HD3 ARG 586 HD1 ARG 586 -2.206 -11.300 -5.686 323 HE ARG 586 HE ARG 586 -2.453 -11.243 -8.231 324 HH11 ARG 586 HH11 ARG 586 0.161 -9.451 -6.538 325 HH12 ARG 586 HH12 ARG 586 1.308 -9.810 -7.735 326 HH21 ARG 586 HH21 ARG 586 -0.805 -11.703 -9.821 327 HH22 ARG 586 HH22 ARG 586 0.769 -11.102 -9.624 328 H LEU 587 HN LEU 587 -6.231 -7.941 -3.004 329 HA LEU 587 HA LEU 587 -7.125 -10.082 -1.276 330 HB2 LEU 587 HB2 LEU 587 -6.850 -7.133 -0.735 331 HB3 LEU 587 HB1 LEU 587 -7.247 -8.350 0.451 332 HG LEU 587 HG LEU 587 -4.622 -7.955 -0.961 333 HD11 LEU 587 HD11 LEU 587 -5.473 -7.752 1.914 334 HD12 LEU 587 HD12 LEU 587 -5.049 -6.416 0.841 335 HD13 LEU 587 HD13 LEU 587 -3.822 -7.590 1.322 336 HD21 LEU 587 HD21 LEU 587 -3.801 -9.822 0.389 337 HD22 LEU 587 HD22 LEU 587 -5.037 -10.318 -0.768 338 HD23 LEU 587 HD23 LEU 587 -5.451 -10.147 0.944 339 HA PRO 588 HA PRO 588 -11.417 -8.913 -1.808 340 HB2 PRO 588 HB2 PRO 588 -12.431 -10.269 0.321 341 HB3 PRO 588 HB1 PRO 588 -11.969 -11.071 -1.185 342 HG2 PRO 588 HG2 PRO 588 -10.527 -10.915 1.414 343 HG3 PRO 588 HG1 PRO 588 -10.637 -12.264 0.274 344 HD2 PRO 588 HD2 PRO 588 -8.473 -10.573 0.479 345 HD3 PRO 588 HD1 PRO 588 -8.888 -11.498 -0.976 346 H GLY 589 HN GLY 589 -12.969 -7.613 -0.665 347 HA2 GLY 589 HA2 GLY 589 -11.939 -5.382 0.583 348 HA3 GLY 589 HA1 GLY 589 -13.628 -5.834 0.573 349 H GLU 590 HN GLU 590 -13.197 -8.274 2.142 350 HA GLU 590 HA GLU 590 -13.309 -7.000 4.662 351 HB2 GLU 590 HB2 GLU 590 -13.499 -9.278 5.625 352 HB3 GLU 590 HB1 GLU 590 -14.755 -8.808 4.481 353 HG2 GLU 590 HG2 GLU 590 -14.323 -11.045 3.991 354 HG3 GLU 590 HG1 GLU 590 -13.362 -10.186 2.795 355 H LYS 591 HN LYS 591 -10.777 -8.497 3.045 356 HA LYS 591 HA LYS 591 -9.001 -8.628 5.322 357 HB2 LYS 591 HB2 LYS 591 -8.443 -8.726 2.350 358 HB3 LYS 591 HB1 LYS 591 -7.189 -8.876 3.571 359 HG2 LYS 591 HG2 LYS 591 -9.553 -10.725 3.342 360 HG3 LYS 591 HG1 LYS 591 -7.972 -11.033 2.616 361 HD2 LYS 591 HD2 LYS 591 -6.953 -10.975 4.844 362 HD3 LYS 591 HD1 LYS 591 -8.533 -10.652 5.560 363 HE2 LYS 591 HE2 LYS 591 -7.957 -13.080 3.895 364 HE3 LYS 591 HE1 LYS 591 -7.724 -13.055 5.639 365 HZ1 LYS 591 HZ1 LYS 591 -10.031 -12.640 5.950 366 HZ2 LYS 591 HZ2 LYS 591 -9.917 -13.944 4.882 367 HZ3 LYS 591 HZ3 LYS 591 -10.304 -12.406 4.316 368 H LEU 592 HN LEU 592 -10.022 -6.208 3.093 369 HA LEU 592 HA LEU 592 -7.861 -4.442 3.388 370 HB2 LEU 592 HB2 LEU 592 -10.583 -4.344 2.312 371 HB3 LEU 592 HB1 LEU 592 -9.869 -2.818 2.761 372 HG LEU 592 HG LEU 592 -9.642 -3.309 0.418 373 HD11 LEU 592 HD11 LEU 592 -7.313 -2.736 0.202 374 HD12 LEU 592 HD12 LEU 592 -6.969 -3.367 1.808 375 HD13 LEU 592 HD13 LEU 592 -7.978 -1.931 1.620 376 HD21 LEU 592 HD21 LEU 592 -9.505 -5.696 0.443 377 HD22 LEU 592 HD22 LEU 592 -7.946 -5.644 1.274 378 HD23 LEU 592 HD23 LEU 592 -8.094 -5.035 -0.380 379 H GLY 593 HN GLY 593 -10.357 -5.308 5.500 380 HA2 GLY 593 HA2 GLY 593 -11.144 -2.954 6.733 381 HA3 GLY 593 HA1 GLY 593 -11.032 -4.501 7.554 382 H ARG 594 HN ARG 594 -8.269 -4.848 7.301 383 HA ARG 594 HA ARG 594 -7.375 -3.164 9.421 384 HB2 ARG 594 HB2 ARG 594 -6.613 -5.363 9.603 385 HB3 ARG 594 HB1 ARG 594 -6.065 -5.454 7.942 386 HG2 ARG 594 HG2 ARG 594 -4.202 -5.341 9.496 387 HG3 ARG 594 HG1 ARG 594 -4.248 -3.920 8.447 388 HD2 ARG 594 HD2 ARG 594 -5.467 -2.738 10.219 389 HD3 ARG 594 HD1 ARG 594 -5.215 -4.140 11.253 390 HE ARG 594 HE ARG 594 -2.737 -3.369 10.259 391 HH11 ARG 594 HH11 ARG 594 -5.124 -2.061 12.476 392 HH12 ARG 594 HH12 ARG 594 -4.125 -0.868 13.124 393 HH21 ARG 594 HH21 ARG 594 -1.322 -1.613 11.048 394 HH22 ARG 594 HH22 ARG 594 -1.910 -0.561 12.211 395 H VAL 595 HN VAL 595 -6.661 -3.458 5.984 396 HA VAL 595 HA VAL 595 -4.451 -1.692 6.030 397 HB VAL 595 HB VAL 595 -6.167 -1.974 3.574 398 HG11 VAL 595 HG11 VAL 595 -3.242 -1.639 3.883 399 HG12 VAL 595 HG12 VAL 595 -4.422 -0.423 3.378 400 HG13 VAL 595 HG13 VAL 595 -4.111 -1.836 2.364 401 HG21 VAL 595 HG21 VAL 595 -4.957 -4.015 2.952 402 HG22 VAL 595 HG22 VAL 595 -5.908 -4.248 4.423 403 HG23 VAL 595 HG23 VAL 595 -4.168 -4.007 4.529 404 H VAL 596 HN VAL 596 -7.888 -1.206 5.699 405 HA VAL 596 HA VAL 596 -7.948 1.488 5.009 406 HB VAL 596 HB VAL 596 -9.846 0.134 6.981 407 HG11 VAL 596 HG11 VAL 596 -11.485 1.762 6.240 408 HG12 VAL 596 HG12 VAL 596 -10.306 2.462 5.150 409 HG13 VAL 596 HG13 VAL 596 -10.068 2.597 6.906 410 HG21 VAL 596 HG21 VAL 596 -10.127 0.358 3.987 411 HG22 VAL 596 HG22 VAL 596 -11.303 -0.350 5.095 412 HG23 VAL 596 HG23 VAL 596 -9.733 -1.116 4.869 413 H HIS 597 HN HIS 597 -7.488 -0.025 8.253 414 HA HIS 597 HA HIS 597 -7.461 2.395 9.688 415 HB2 HIS 597 HB2 HIS 597 -7.894 0.103 10.627 416 HB3 HIS 597 HB1 HIS 597 -6.192 -0.263 10.379 417 HD1 HIS 597 HD1 HIS 597 -8.496 1.135 12.765 418 HD2 HIS 597 HD2 HIS 597 -4.434 1.380 12.031 419 HE1 HIS 597 HE1 HIS 597 -7.444 2.088 14.881 420 H ILE 598 HN ILE 598 -5.075 0.456 8.027 421 HA ILE 598 HA ILE 598 -2.745 1.603 9.028 422 HB ILE 598 HB ILE 598 -3.195 0.441 6.237 423 HG12 ILE 598 HG12 ILE 598 -2.130 -0.873 8.751 424 HG13 ILE 598 HG11 ILE 598 -3.720 -1.156 8.054 425 HG21 ILE 598 HG21 ILE 598 -1.194 1.768 6.286 426 HG22 ILE 598 HG22 ILE 598 -0.823 0.045 6.196 427 HG23 ILE 598 HG23 ILE 598 -0.626 0.909 7.731 428 HD11 ILE 598 HD11 ILE 598 -2.592 -2.109 6.029 429 HD12 ILE 598 HD12 ILE 598 -2.248 -2.992 7.501 430 HD13 ILE 598 HD13 ILE 598 -1.046 -1.887 6.840 431 H ILE 599 HN ILE 599 -4.767 2.570 6.261 432 HA ILE 599 HA ILE 599 -3.189 4.853 5.652 433 HB ILE 599 HB ILE 599 -6.064 4.211 4.881 434 HG12 ILE 599 HG12 ILE 599 -5.081 4.332 2.539 435 HG13 ILE 599 HG11 ILE 599 -3.501 4.387 3.303 436 HG21 ILE 599 HG21 ILE 599 -6.012 6.603 5.117 437 HG22 ILE 599 HG22 ILE 599 -6.049 6.174 3.396 438 HG23 ILE 599 HG23 ILE 599 -4.542 6.686 4.140 439 HD11 ILE 599 HD11 ILE 599 -3.905 2.221 4.283 440 HD12 ILE 599 HD12 ILE 599 -4.079 2.175 2.523 441 HD13 ILE 599 HD13 ILE 599 -5.509 2.199 3.562 442 H GLN 600 HN GLN 600 -6.101 4.415 7.636 443 HA GLN 600 HA GLN 600 -6.648 7.053 8.308 444 HB2 GLN 600 HB2 GLN 600 -6.983 4.636 10.052 445 HB3 GLN 600 HB1 GLN 600 -7.780 6.190 10.276 446 HG2 GLN 600 HG2 GLN 600 -8.677 5.946 8.018 447 HG3 GLN 600 HG1 GLN 600 -8.102 4.279 8.006 448 HE21 GLN 600 HE21 GLN 600 -10.399 6.457 9.050 449 HE22 GLN 600 HE22 GLN 600 -11.449 5.360 9.886 450 H SER 601 HN SER 601 -4.201 5.001 9.484 451 HA SER 601 HA SER 601 -3.515 6.248 11.885 452 HB2 SER 601 HB2 SER 601 -1.823 4.783 9.893 453 HB3 SER 601 HB1 SER 601 -1.324 5.143 11.548 454 HG SER 601 HG SER 601 -3.642 3.619 10.835 455 H ARG 602 HN ARG 602 -2.567 6.973 8.557 456 HA ARG 602 HA ARG 602 -0.988 9.247 9.546 457 HB2 ARG 602 HB2 ARG 602 0.146 7.753 7.930 458 HB3 ARG 602 HB1 ARG 602 -1.117 8.110 6.754 459 HG2 ARG 602 HG2 ARG 602 -0.525 10.524 7.014 460 HG3 ARG 602 HG1 ARG 602 0.900 9.993 7.906 461 HD2 ARG 602 HD2 ARG 602 1.662 8.751 5.976 462 HD3 ARG 602 HD1 ARG 602 0.194 9.195 5.099 463 HE ARG 602 HE ARG 602 2.124 11.217 6.034 464 HH11 ARG 602 HH11 ARG 602 -0.096 10.041 3.541 465 HH12 ARG 602 HH12 ARG 602 0.442 11.140 2.366 466 HH21 ARG 602 HH21 ARG 602 2.816 12.758 4.400 467 HH22 ARG 602 HH22 ARG 602 2.112 12.710 2.855 468 H GLU 603 HN GLU 603 -3.675 8.336 7.547 469 HA GLU 603 HA GLU 603 -4.139 11.102 6.717 470 HB2 GLU 603 HB2 GLU 603 -5.134 8.486 5.627 471 HB3 GLU 603 HB1 GLU 603 -5.711 10.043 5.074 472 HG2 GLU 603 HG2 GLU 603 -2.864 9.067 4.904 473 HG3 GLU 603 HG1 GLU 603 -4.026 9.084 3.579 474 HA PRO 604 HA PRO 604 -7.385 10.568 9.727 475 HB2 PRO 604 HB2 PRO 604 -7.534 13.081 10.593 476 HB3 PRO 604 HB1 PRO 604 -6.117 12.052 10.919 477 HG2 PRO 604 HG2 PRO 604 -6.415 14.150 8.803 478 HG3 PRO 604 HG1 PRO 604 -5.099 13.939 9.968 479 HD2 PRO 604 HD2 PRO 604 -5.055 12.967 7.404 480 HD3 PRO 604 HD1 PRO 604 -4.132 12.257 8.744 481 H SER 605 HN SER 605 -7.192 12.182 6.801 482 HA SER 605 HA SER 605 -9.790 13.346 6.714 483 HB2 SER 605 HB2 SER 605 -7.977 12.558 4.429 484 HB3 SER 605 HB1 SER 605 -9.295 13.735 4.382 485 HG SER 605 HG SER 605 -6.992 14.440 4.699 486 H LEU 606 HN LEU 606 -8.420 10.232 6.106 487 HA LEU 606 HA LEU 606 -10.700 9.272 4.692 488 HB2 LEU 606 HB2 LEU 606 -8.438 8.368 4.315 489 HB3 LEU 606 HB1 LEU 606 -8.391 7.772 5.955 490 HG LEU 606 HG LEU 606 -8.821 6.056 4.087 491 HD11 LEU 606 HD11 LEU 606 -9.210 5.355 6.272 492 HD12 LEU 606 HD12 LEU 606 -10.677 4.896 5.384 493 HD13 LEU 606 HD13 LEU 606 -10.647 6.335 6.425 494 HD21 LEU 606 HD21 LEU 606 -11.116 5.867 3.265 495 HD22 LEU 606 HD22 LEU 606 -10.390 7.403 2.781 496 HD23 LEU 606 HD23 LEU 606 -11.536 7.348 4.120 497 H ARG 607 HN ARG 607 -9.554 9.213 8.005 498 HA ARG 607 HA ARG 607 -11.618 7.758 9.219 499 HB2 ARG 607 HB2 ARG 607 -10.111 10.164 10.221 500 HB3 ARG 607 HB1 ARG 607 -11.141 9.151 11.219 501 HG2 ARG 607 HG2 ARG 607 -9.732 7.283 10.891 502 HG3 ARG 607 HG1 ARG 607 -8.743 8.148 9.718 503 HD2 ARG 607 HD2 ARG 607 -7.678 8.076 11.966 504 HD3 ARG 607 HD1 ARG 607 -8.094 9.726 11.480 505 HE ARG 607 HE ARG 607 -10.238 8.662 12.914 506 HH11 ARG 607 HH11 ARG 607 -6.891 9.661 13.567 507 HH12 ARG 607 HH12 ARG 607 -7.237 10.195 15.146 508 HH21 ARG 607 HH21 ARG 607 -10.678 9.409 15.052 509 HH22 ARG 607 HH22 ARG 607 -9.423 10.042 16.010 510 H ASP 608 HN ASP 608 -11.445 11.087 8.201 511 HA ASP 608 HA ASP 608 -14.079 11.778 9.084 512 HB2 ASP 608 HB2 ASP 608 -11.911 13.130 7.709 513 HB3 ASP 608 HB1 ASP 608 -13.520 13.592 7.142 514 H SER 609 HN SER 609 -13.093 9.856 6.621 515 HA SER 609 HA SER 609 -15.485 10.431 5.019 516 HB2 SER 609 HB2 SER 609 -13.102 8.661 4.362 517 HB3 SER 609 HB1 SER 609 -14.389 9.149 3.255 518 HG SER 609 HG SER 609 -12.630 10.929 4.558 519 H ASN 610 HN ASN 610 -15.860 7.788 4.046 520 HA ASN 610 HA ASN 610 -16.717 6.542 6.532 521 HB2 ASN 610 HB2 ASN 610 -17.338 5.794 3.661 522 HB3 ASN 610 HB1 ASN 610 -17.952 4.946 5.064 523 HD21 ASN 610 HD21 ASN 610 -18.406 7.499 6.577 524 HD22 ASN 610 HD22 ASN 610 -19.784 8.182 5.834 525 HA PRO 611 HA PRO 611 -13.329 3.586 6.351 526 HB2 PRO 611 HB2 PRO 611 -14.360 1.695 8.010 527 HB3 PRO 611 HB1 PRO 611 -13.691 3.213 8.618 528 HG2 PRO 611 HG2 PRO 611 -16.542 2.454 8.133 529 HG3 PRO 611 HG1 PRO 611 -15.839 3.317 9.516 530 HD2 PRO 611 HD2 PRO 611 -17.133 4.626 7.517 531 HD3 PRO 611 HD1 PRO 611 -15.748 5.328 8.375 532 H ASP 612 HN ASP 612 -16.407 3.236 5.330 533 HA ASP 612 HA ASP 612 -16.538 0.594 4.243 534 HB2 ASP 612 HB2 ASP 612 -18.412 2.231 4.764 535 HB3 ASP 612 HB1 ASP 612 -17.926 3.105 3.341 536 H GLU 613 HN GLU 613 -15.236 3.595 3.407 537 HA GLU 613 HA GLU 613 -14.329 2.799 0.716 538 HB2 GLU 613 HB2 GLU 613 -14.349 5.449 2.169 539 HB3 GLU 613 HB1 GLU 613 -13.475 5.194 0.682 540 HG2 GLU 613 HG2 GLU 613 -15.521 4.832 -0.496 541 HG3 GLU 613 HG1 GLU 613 -16.458 4.974 1.012 542 H ILE 614 HN ILE 614 -12.042 3.841 0.381 543 HA ILE 614 HA ILE 614 -10.383 4.007 2.667 544 HB ILE 614 HB ILE 614 -10.386 1.462 1.963 545 HG12 ILE 614 HG12 ILE 614 -7.732 2.911 1.899 546 HG13 ILE 614 HG11 ILE 614 -8.627 2.519 3.362 547 HG21 ILE 614 HG21 ILE 614 -10.332 1.830 -0.472 548 HG22 ILE 614 HG22 ILE 614 -8.948 0.876 0.065 549 HG23 ILE 614 HG23 ILE 614 -8.751 2.587 -0.313 550 HD11 ILE 614 HD11 ILE 614 -8.333 0.156 2.967 551 HD12 ILE 614 HD12 ILE 614 -6.744 0.908 2.802 552 HD13 ILE 614 HD13 ILE 614 -7.677 0.470 1.378 553 H GLU 615 HN GLU 615 -8.500 5.169 2.014 554 HA GLU 615 HA GLU 615 -8.613 6.169 -0.739 555 HB2 GLU 615 HB2 GLU 615 -9.415 7.867 0.939 556 HB3 GLU 615 HB1 GLU 615 -7.855 7.750 1.744 557 HG2 GLU 615 HG2 GLU 615 -7.787 9.706 0.424 558 HG3 GLU 615 HG1 GLU 615 -6.818 8.509 -0.430 559 H ILE 616 HN ILE 616 -6.945 4.959 -1.509 560 HA ILE 616 HA ILE 616 -4.468 5.077 0.068 561 HB ILE 616 HB ILE 616 -5.049 3.103 -2.139 562 HG12 ILE 616 HG12 ILE 616 -5.269 2.671 0.845 563 HG13 ILE 616 HG11 ILE 616 -6.625 2.766 -0.269 564 HG21 ILE 616 HG21 ILE 616 -2.955 3.185 0.043 565 HG22 ILE 616 HG22 ILE 616 -2.686 3.524 -1.668 566 HG23 ILE 616 HG23 ILE 616 -3.136 1.898 -1.150 567 HD11 ILE 616 HD11 ILE 616 -5.881 0.758 -1.392 568 HD12 ILE 616 HD12 ILE 616 -6.039 0.448 0.343 569 HD13 ILE 616 HD13 ILE 616 -4.452 0.714 -0.369 570 H ASP 617 HN ASP 617 -3.700 6.903 -0.685 571 HA ASP 617 HA ASP 617 -3.363 7.179 -3.592 572 HB2 ASP 617 HB2 ASP 617 -4.333 9.112 -2.327 573 HB3 ASP 617 HB1 ASP 617 -2.820 9.222 -1.433 574 H PHE 618 HN PHE 618 -1.580 6.271 -4.259 575 HA PHE 618 HA PHE 618 0.510 5.572 -2.447 576 HB2 PHE 618 HB2 PHE 618 0.335 5.231 -5.439 577 HB3 PHE 618 HB1 PHE 618 1.593 4.559 -4.417 578 HD1 PHE 618 HD1 PHE 618 1.250 2.576 -3.182 579 HD2 PHE 618 HD2 PHE 618 -2.019 4.397 -5.194 580 HE1 PHE 618 HE1 PHE 618 -0.112 0.564 -2.822 581 HE2 PHE 618 HE2 PHE 618 -3.369 2.393 -4.841 582 HZ PHE 618 HZ PHE 618 -2.417 0.468 -3.651 583 H GLU 619 HN GLU 619 -0.031 8.359 -4.248 584 HA GLU 619 HA GLU 619 2.766 8.943 -4.794 585 HB2 GLU 619 HB2 GLU 619 0.336 10.697 -5.037 586 HB3 GLU 619 HB1 GLU 619 1.933 11.024 -5.686 587 HG2 GLU 619 HG2 GLU 619 0.127 8.791 -6.458 588 HG3 GLU 619 HG1 GLU 619 0.379 10.309 -7.337 589 H THR 620 HN THR 620 0.117 10.087 -2.823 590 HA THR 620 HA THR 620 1.786 12.038 -1.610 591 HB THR 620 HB THR 620 -1.064 11.547 -0.816 592 HG1 THR 620 HG1 THR 620 -0.977 11.422 -3.140 593 HG21 THR 620 HG21 THR 620 0.586 13.874 -1.523 594 HG22 THR 620 HG22 THR 620 0.360 13.304 0.152 595 HG23 THR 620 HG23 THR 620 -1.020 13.958 -0.793 596 H LEU 621 HN LEU 621 0.501 8.881 -0.821 597 HA LEU 621 HA LEU 621 0.882 8.967 1.974 598 HB2 LEU 621 HB2 LEU 621 0.747 6.826 -0.052 599 HB3 LEU 621 HB1 LEU 621 1.294 6.406 1.563 600 HG LEU 621 HG LEU 621 -1.389 7.696 0.977 601 HD11 LEU 621 HD11 LEU 621 -1.232 5.451 -0.038 602 HD12 LEU 621 HD12 LEU 621 -2.314 5.458 1.358 603 HD13 LEU 621 HD13 LEU 621 -0.679 4.811 1.510 604 HD21 LEU 621 HD21 LEU 621 -0.503 8.031 3.248 605 HD22 LEU 621 HD22 LEU 621 -0.251 6.283 3.349 606 HD23 LEU 621 HD23 LEU 621 -1.890 6.926 3.247 607 H LYS 622 HN LYS 622 2.549 8.531 3.240 608 HA LYS 622 HA LYS 622 5.173 8.731 2.032 609 HB2 LYS 622 HB2 LYS 622 4.336 8.538 4.917 610 HB3 LYS 622 HB1 LYS 622 6.007 8.634 4.408 611 HG2 LYS 622 HG2 LYS 622 5.438 10.829 3.350 612 HG3 LYS 622 HG1 LYS 622 3.865 10.720 4.156 613 HD2 LYS 622 HD2 LYS 622 6.578 10.725 5.478 614 HD3 LYS 622 HD1 LYS 622 5.420 12.051 5.492 615 HE2 LYS 622 HE2 LYS 622 3.842 10.616 6.746 616 HE3 LYS 622 HE1 LYS 622 5.033 9.321 6.720 617 HZ1 LYS 622 HZ1 LYS 622 6.533 10.739 8.004 618 HZ2 LYS 622 HZ2 LYS 622 5.086 10.454 8.796 619 HZ3 LYS 622 HZ3 LYS 622 5.349 11.945 8.077 620 HA PRO 623 HA PRO 623 6.538 4.479 2.106 621 HB2 PRO 623 HB2 PRO 623 8.868 4.970 3.712 622 HB3 PRO 623 HB1 PRO 623 8.774 4.888 1.948 623 HG2 PRO 623 HG2 PRO 623 8.747 7.228 3.768 624 HG3 PRO 623 HG1 PRO 623 9.413 7.079 2.135 625 HD2 PRO 623 HD2 PRO 623 7.167 8.415 2.576 626 HD3 PRO 623 HD1 PRO 623 7.343 7.395 1.134 627 H THR 624 HN THR 624 6.052 6.292 5.033 628 HA THR 624 HA THR 624 6.462 4.309 6.994 629 HB THR 624 HB THR 624 4.976 5.827 8.374 630 HG1 THR 624 HG1 THR 624 3.998 7.446 7.495 631 HG21 THR 624 HG21 THR 624 6.511 7.776 8.305 632 HG22 THR 624 HG22 THR 624 7.236 7.128 6.832 633 HG23 THR 624 HG23 THR 624 7.366 6.243 8.356 634 H THR 625 HN THR 625 3.607 5.417 5.334 635 HA THR 625 HA THR 625 1.926 3.376 6.478 636 HB THR 625 HB THR 625 1.356 5.348 4.284 637 HG1 THR 625 HG1 THR 625 1.202 5.570 7.112 638 HG21 THR 625 HG21 THR 625 -0.987 5.078 5.047 639 HG22 THR 625 HG22 THR 625 -0.440 3.869 6.216 640 HG23 THR 625 HG23 THR 625 -0.284 3.558 4.486 641 H LEU 626 HN LEU 626 3.269 4.195 3.293 642 HA LEU 626 HA LEU 626 1.996 2.328 1.790 643 HB2 LEU 626 HB2 LEU 626 4.764 3.432 1.476 644 HB3 LEU 626 HB1 LEU 626 4.031 2.395 0.273 645 HG LEU 626 HG LEU 626 2.892 5.033 1.162 646 HD11 LEU 626 HD11 LEU 626 5.037 5.328 -0.002 647 HD12 LEU 626 HD12 LEU 626 3.701 5.856 -1.024 648 HD13 LEU 626 HD13 LEU 626 4.470 4.300 -1.315 649 HD21 LEU 626 HD21 LEU 626 1.523 4.812 -0.857 650 HD22 LEU 626 HD22 LEU 626 1.207 3.521 0.290 651 HD23 LEU 626 HD23 LEU 626 2.195 3.209 -1.140 652 H ARG 627 HN ARG 627 5.017 1.943 3.588 653 HA ARG 627 HA ARG 627 5.797 -0.615 2.858 654 HB2 ARG 627 HB2 ARG 627 7.169 0.844 4.254 655 HB3 ARG 627 HB1 ARG 627 6.004 0.707 5.560 656 HG2 ARG 627 HG2 ARG 627 6.478 -1.799 5.508 657 HG3 ARG 627 HG1 ARG 627 7.864 -1.390 4.496 658 HD2 ARG 627 HD2 ARG 627 8.515 -1.564 6.835 659 HD3 ARG 627 HD1 ARG 627 8.700 0.093 6.252 660 HE ARG 627 HE ARG 627 6.173 -0.472 7.470 661 HH11 ARG 627 HH11 ARG 627 9.485 0.332 8.293 662 HH12 ARG 627 HH12 ARG 627 9.044 1.381 9.590 663 HH21 ARG 627 HH21 ARG 627 5.588 1.005 9.298 664 HH22 ARG 627 HH22 ARG 627 6.876 1.750 10.129 665 H GLU 628 HN GLU 628 3.442 0.393 5.343 666 HA GLU 628 HA GLU 628 3.278 -2.272 6.334 667 HB2 GLU 628 HB2 GLU 628 2.865 -0.085 7.667 668 HB3 GLU 628 HB1 GLU 628 1.275 -0.132 6.930 669 HG2 GLU 628 HG2 GLU 628 0.743 -2.220 7.932 670 HG3 GLU 628 HG1 GLU 628 2.392 -2.444 8.488 671 H LEU 629 HN LEU 629 1.462 -0.325 4.103 672 HA LEU 629 HA LEU 629 -0.798 -2.001 3.659 673 HB2 LEU 629 HB2 LEU 629 0.693 -0.660 1.403 674 HB3 LEU 629 HB1 LEU 629 -1.026 -0.977 1.568 675 HG LEU 629 HG LEU 629 0.508 1.134 3.064 676 HD11 LEU 629 HD11 LEU 629 -0.664 2.684 1.608 677 HD12 LEU 629 HD12 LEU 629 -1.419 1.335 0.765 678 HD13 LEU 629 HD13 LEU 629 0.324 1.567 0.660 679 HD21 LEU 629 HD21 LEU 629 -1.438 0.303 4.293 680 HD22 LEU 629 HD22 LEU 629 -2.437 0.583 2.867 681 HD23 LEU 629 HD23 LEU 629 -1.681 1.942 3.692 682 H GLU 630 HN GLU 630 2.386 -1.852 2.037 683 HA GLU 630 HA GLU 630 1.978 -4.005 0.298 684 HB2 GLU 630 HB2 GLU 630 3.768 -2.203 0.131 685 HB3 GLU 630 HB1 GLU 630 4.680 -3.143 1.304 686 HG2 GLU 630 HG2 GLU 630 4.326 -5.115 -0.288 687 HG3 GLU 630 HG1 GLU 630 3.895 -3.907 -1.482 688 H ARG 631 HN ARG 631 3.551 -3.821 3.450 689 HA ARG 631 HA ARG 631 4.401 -6.503 3.359 690 HB2 ARG 631 HB2 ARG 631 4.289 -4.571 5.646 691 HB3 ARG 631 HB1 ARG 631 4.772 -6.247 5.879 692 HG2 ARG 631 HG2 ARG 631 6.528 -5.919 4.152 693 HG3 ARG 631 HG1 ARG 631 6.089 -4.209 4.110 694 HD2 ARG 631 HD2 ARG 631 6.710 -3.949 6.418 695 HD3 ARG 631 HD1 ARG 631 6.985 -5.686 6.576 696 HE ARG 631 HE ARG 631 8.549 -4.543 4.521 697 HH11 ARG 631 HH11 ARG 631 8.406 -4.821 8.046 698 HH12 ARG 631 HH12 ARG 631 10.108 -4.792 8.267 699 HH21 ARG 631 HH21 ARG 631 10.881 -4.558 4.823 700 HH22 ARG 631 HH22 ARG 631 11.544 -4.677 6.375 701 H TYR 632 HN TYR 632 1.484 -5.078 4.315 702 HA TYR 632 HA TYR 632 0.624 -7.413 5.727 703 HB2 TYR 632 HB2 TYR 632 -0.339 -5.421 6.459 704 HB3 TYR 632 HB1 TYR 632 -0.883 -4.955 4.840 705 HD1 TYR 632 HD1 TYR 632 -2.883 -5.828 3.939 706 HD2 TYR 632 HD2 TYR 632 -1.498 -7.260 7.685 707 HE1 TYR 632 HE1 TYR 632 -4.989 -6.978 4.238 708 HE2 TYR 632 HE2 TYR 632 -3.635 -8.439 8.035 709 HH TYR 632 HH TYR 632 -5.824 -8.963 5.542 710 H VAL 633 HN VAL 633 -0.127 -5.940 2.578 711 HA VAL 633 HA VAL 633 -1.902 -7.898 1.756 712 HB VAL 633 HB VAL 633 -1.598 -7.133 -0.538 713 HG11 VAL 633 HG11 VAL 633 -2.930 -5.703 0.918 714 HG12 VAL 633 HG12 VAL 633 -2.081 -4.785 -0.320 715 HG13 VAL 633 HG13 VAL 633 -1.471 -4.791 1.336 716 HG21 VAL 633 HG21 VAL 633 0.112 -5.429 -1.137 717 HG22 VAL 633 HG22 VAL 633 0.795 -6.984 -0.639 718 HG23 VAL 633 HG23 VAL 633 0.811 -5.633 0.480 719 H LYS 634 HN LYS 634 1.595 -7.751 1.452 720 HA LYS 634 HA LYS 634 1.754 -10.069 -0.126 721 HB2 LYS 634 HB2 LYS 634 4.142 -9.933 0.114 722 HB3 LYS 634 HB1 LYS 634 3.488 -8.287 0.184 723 HG2 LYS 634 HG2 LYS 634 3.796 -8.103 2.457 724 HG3 LYS 634 HG1 LYS 634 4.166 -9.801 2.651 725 HD2 LYS 634 HD2 LYS 634 6.230 -8.604 2.806 726 HD3 LYS 634 HD1 LYS 634 6.231 -9.472 1.282 727 HE2 LYS 634 HE2 LYS 634 5.455 -6.579 1.506 728 HE3 LYS 634 HE1 LYS 634 7.128 -7.079 1.295 729 HZ1 LYS 634 HZ1 LYS 634 6.195 -6.459 -0.759 730 HZ2 LYS 634 HZ2 LYS 634 4.883 -7.497 -0.650 731 HZ3 LYS 634 HZ3 LYS 634 6.450 -8.118 -0.827 732 H SER 635 HN SER 635 1.774 -9.559 3.377 733 HA SER 635 HA SER 635 2.403 -12.254 3.999 734 HB2 SER 635 HB2 SER 635 0.998 -10.167 5.690 735 HB3 SER 635 HB1 SER 635 1.693 -11.677 6.283 736 HG SER 635 HG SER 635 2.969 -9.360 5.336 737 H CYS 636 HN CYS 636 -0.584 -10.509 3.429 738 HA CYS 636 HA CYS 636 -2.290 -12.569 4.394 739 HB2 CYS 636 HB2 CYS 636 -2.902 -10.156 4.367 740 HB3 CYS 636 HB1 CYS 636 -2.931 -10.212 2.613 741 HG CYS 636 HG CYS 636 -4.851 -12.590 3.332 742 H LEU 637 HN LEU 637 -0.895 -11.732 1.312 743 HA LEU 637 HA LEU 637 -2.439 -13.663 -0.150 744 HB2 LEU 637 HB2 LEU 637 -0.025 -12.018 -0.770 745 HB3 LEU 637 HB1 LEU 637 -0.699 -13.138 -1.942 746 HG LEU 637 HG LEU 637 -2.171 -10.793 -0.731 747 HD11 LEU 637 HD11 LEU 637 -1.905 -9.769 -2.924 748 HD12 LEU 637 HD12 LEU 637 -0.856 -11.105 -3.419 749 HD13 LEU 637 HD13 LEU 637 -0.372 -10.026 -2.107 750 HD21 LEU 637 HD21 LEU 637 -2.885 -12.658 -2.995 751 HD22 LEU 637 HD22 LEU 637 -3.779 -11.211 -2.526 752 HD23 LEU 637 HD23 LEU 637 -3.673 -12.571 -1.415 753 H GLN 638 HN GLN 638 0.771 -13.504 1.300 754 HA GLN 638 HA GLN 638 1.789 -15.910 0.304 755 HB2 GLN 638 HB2 GLN 638 3.104 -14.091 1.329 756 HB3 GLN 638 HB1 GLN 638 2.381 -14.471 2.883 757 HG2 GLN 638 HG2 GLN 638 3.417 -16.622 2.871 758 HG3 GLN 638 HG1 GLN 638 4.096 -16.318 1.266 759 HE21 GLN 638 HE21 GLN 638 3.893 -13.912 3.809 760 HE22 GLN 638 HE22 GLN 638 5.588 -13.781 4.067 761 H LYS 639 HN LYS 639 0.070 -15.084 3.300 762 HA LYS 639 HA LYS 639 -1.100 -16.277 4.821 763 HB2 LYS 639 HB2 LYS 639 -1.257 -18.427 2.678 764 HB3 LYS 639 HB1 LYS 639 -2.373 -18.201 4.020 765 HG2 LYS 639 HG2 LYS 639 -3.109 -16.084 3.043 766 HG3 LYS 639 HG1 LYS 639 -1.984 -16.313 1.708 767 HD2 LYS 639 HD2 LYS 639 -3.193 -18.463 1.210 768 HD3 LYS 639 HD1 LYS 639 -4.405 -17.960 2.390 769 HE2 LYS 639 HE2 LYS 639 -3.625 -16.486 -0.131 770 HE3 LYS 639 HE1 LYS 639 -5.129 -17.353 0.150 771 HZ1 LYS 639 HZ1 LYS 639 -5.424 -14.989 0.410 772 HZ2 LYS 639 HZ2 LYS 639 -4.239 -14.918 1.608 773 HZ3 LYS 639 HZ3 LYS 639 -5.679 -15.744 1.886 774 H LYS 640 HN LYS 640 -0.952 -19.377 4.710 775 HA LYS 640 HA LYS 640 1.626 -19.558 6.069 776 HB2 LYS 640 HB2 LYS 640 -0.743 -21.418 5.991 777 HB3 LYS 640 HB1 LYS 640 0.758 -21.773 6.824 778 HG2 LYS 640 HG2 LYS 640 0.404 -19.852 8.284 779 HG3 LYS 640 HG1 LYS 640 -1.092 -19.474 7.432 780 HD2 LYS 640 HD2 LYS 640 -1.764 -20.597 9.373 781 HD3 LYS 640 HD1 LYS 640 -1.881 -21.805 8.104 782 HE2 LYS 640 HE2 LYS 640 0.395 -21.543 10.095 783 HE3 LYS 640 HE1 LYS 640 -0.925 -22.689 10.223 784 HZ1 LYS 640 HZ1 LYS 640 1.229 -22.649 8.172 785 HZ2 LYS 640 HZ2 LYS 640 -0.123 -23.639 8.073 786 HZ3 LYS 640 HZ3 LYS 640 0.949 -23.829 9.335 787 H GLN 641 HN GLN 641 0.794 -19.642 3.105 788 HA GLN 641 HA GLN 641 1.436 -20.498 1.205 789 HB2 GLN 641 HB2 GLN 641 3.702 -21.595 2.823 790 HB3 GLN 641 HB1 GLN 641 3.569 -21.890 1.093 791 HG2 GLN 641 HG2 GLN 641 3.523 -19.455 0.725 792 HG3 GLN 641 HG1 GLN 641 3.763 -19.218 2.456 793 HE21 GLN 641 HE21 GLN 641 5.202 -20.320 -0.519 794 HE22 GLN 641 HE22 GLN 641 6.824 -20.291 0.054 795 H ARG 642 HN ARG 642 -0.339 -21.502 0.844 796 HA ARG 642 HA ARG 642 -0.043 -24.342 0.484 797 HB2 ARG 642 HB2 ARG 642 -1.277 -24.081 2.657 798 HB3 ARG 642 HB1 ARG 642 -2.485 -23.119 1.817 799 HG2 ARG 642 HG2 ARG 642 -3.044 -25.044 0.420 800 HG3 ARG 642 HG1 ARG 642 -1.850 -26.013 1.287 801 HD2 ARG 642 HD2 ARG 642 -3.085 -25.651 3.372 802 HD3 ARG 642 HD1 ARG 642 -4.276 -24.689 2.497 803 HE ARG 642 HE ARG 642 -3.852 -27.332 1.465 804 HH11 ARG 642 HH11 ARG 642 -5.757 -25.404 3.747 805 HH12 ARG 642 HH12 ARG 642 -7.086 -26.464 3.763 806 HH21 ARG 642 HH21 ARG 642 -5.708 -28.826 1.520 807 HH22 ARG 642 HH22 ARG 642 -7.061 -28.418 2.459 808 H LYS 643 HN LYS 643 -0.096 -24.203 -1.646 809 HA LYS 643 HA LYS 643 -1.931 -22.313 -2.873 810 HB2 LYS 643 HB2 LYS 643 0.234 -21.732 -3.526 811 HB3 LYS 643 HB1 LYS 643 0.711 -23.403 -3.755 812 HG2 LYS 643 HG2 LYS 643 0.501 -22.127 -5.868 813 HG3 LYS 643 HG1 LYS 643 -0.528 -23.551 -5.794 814 HD2 LYS 643 HD2 LYS 643 -2.434 -22.083 -5.172 815 HD3 LYS 643 HD1 LYS 643 -1.386 -20.680 -5.392 816 HE2 LYS 643 HE2 LYS 643 -1.150 -21.095 -7.702 817 HE3 LYS 643 HE1 LYS 643 -1.785 -22.731 -7.544 818 HZ1 LYS 643 HZ1 LYS 643 -3.930 -21.839 -7.032 819 HZ2 LYS 643 HZ2 LYS 643 -3.400 -21.251 -8.509 820 HZ3 LYS 643 HZ3 LYS 643 -3.377 -20.244 -7.162 821 HA PRO 644 HA PRO 644 -4.022 -25.879 -4.632 822 HB2 PRO 644 HB2 PRO 644 -6.396 -24.276 -4.666 823 HB3 PRO 644 HB1 PRO 644 -6.042 -25.633 -3.599 824 HG2 PRO 644 HG2 PRO 644 -6.291 -22.994 -2.779 825 HG3 PRO 644 HG1 PRO 644 -5.465 -24.269 -1.871 826 HD2 PRO 644 HD2 PRO 644 -4.308 -22.130 -3.613 827 HD3 PRO 644 HD1 PRO 644 -3.698 -22.834 -2.099
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