NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
604941 | 2n4q | 25677 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 326 H1 THR 326 -0.753 -23.691 17.924 2 H2 THR 326 H2 THR 326 -2.034 -22.718 18.473 3 H3 THR 326 H3 THR 326 -2.085 -24.402 18.696 4 HA THR 326 HA THR 326 -1.521 -23.433 20.776 5 HB THR 326 HB THR 326 0.910 -24.312 20.958 6 HG1 THR 326 HG1 THR 326 1.672 -25.338 19.169 7 HG21 THR 326 HG21 THR 326 0.020 -26.703 20.349 8 HG22 THR 326 HG22 THR 326 -1.508 -25.864 20.082 9 HG23 THR 326 HG23 THR 326 -0.735 -25.807 21.667 10 H GLN 327 H GLN 327 1.033 -22.606 18.413 11 HA GLN 327 HA GLN 327 1.033 -19.845 19.348 12 HB2 GLN 327 HB3 GLN 327 2.613 -21.244 20.831 13 HB3 GLN 327 HB2 GLN 327 3.642 -21.351 19.403 14 HG2 GLN 327 HG3 GLN 327 4.503 -19.406 20.254 15 HG3 GLN 327 HG2 GLN 327 3.145 -18.703 19.376 16 HE21 GLN 327 HE21 GLN 327 1.008 -18.654 20.779 17 HE22 GLN 327 HE22 GLN 327 1.207 -18.198 22.401 18 H GLY 328 H GLY 328 0.175 -20.406 16.955 19 HA2 GLY 328 HA3 GLY 328 2.269 -20.601 14.972 20 HA3 GLY 328 HA2 GLY 328 0.555 -20.344 14.663 21 H GLY 329 H GLY 329 1.054 -18.716 13.125 22 HA2 GLY 329 HA3 GLY 329 1.309 -16.078 14.294 23 HA3 GLY 329 HA2 GLY 329 2.653 -16.536 13.251 24 H ARG 330 H ARG 330 -0.152 -14.878 13.266 25 HA ARG 330 HA ARG 330 -0.367 -14.973 10.361 26 HB2 ARG 330 HB3 ARG 330 -2.938 -15.146 10.651 27 HB3 ARG 330 HB2 ARG 330 -1.983 -16.626 10.735 28 HG2 ARG 330 HG3 ARG 330 -2.026 -16.592 13.155 29 HG3 ARG 330 HG2 ARG 330 -2.795 -15.004 13.163 30 HD2 ARG 330 HD3 ARG 330 -4.301 -17.096 13.489 31 HD3 ARG 330 HD2 ARG 330 -4.837 -15.848 12.366 32 HE ARG 330 HE ARG 330 -4.584 -17.379 10.642 33 HH11 ARG 330 HH21 ARG 330 -2.843 -18.390 13.456 34 HH12 ARG 330 HH22 ARG 330 -2.414 -19.937 12.805 35 HH21 ARG 330 HH11 ARG 330 -4.025 -19.405 9.781 36 HH22 ARG 330 HH12 ARG 330 -3.084 -20.512 10.724 37 HA PRO 331 HA PRO 331 -1.105 -10.864 12.513 38 HB2 PRO 331 HB3 PRO 331 1.052 -9.547 11.472 39 HB3 PRO 331 HB2 PRO 331 1.114 -10.469 12.987 40 HG2 PRO 331 HG3 PRO 331 2.047 -11.225 10.266 41 HG3 PRO 331 HG2 PRO 331 2.778 -11.557 11.848 42 HD2 PRO 331 HD3 PRO 331 1.329 -13.410 10.428 43 HD3 PRO 331 HD2 PRO 331 1.484 -13.434 12.197 44 H SER 332 H SER 332 -1.965 -9.000 11.525 45 HA SER 332 HA SER 332 -2.548 -9.299 8.661 46 HB2 SER 332 HB3 SER 332 -3.945 -7.089 9.655 47 HB3 SER 332 HB2 SER 332 -4.592 -8.702 9.368 48 HG SER 332 HG SER 332 -3.147 -8.459 11.689 49 H LEU 333 H LEU 333 -1.359 -8.207 7.249 50 HA LEU 333 HA LEU 333 0.356 -6.043 8.112 51 HB2 LEU 333 HB3 LEU 333 0.818 -7.900 6.318 52 HB3 LEU 333 HB2 LEU 333 -0.056 -6.810 5.243 53 HG LEU 333 HG LEU 333 1.655 -5.068 6.510 54 HD11 LEU 333 HD11 LEU 333 2.704 -7.198 7.527 55 HD12 LEU 333 HD12 LEU 333 3.796 -6.052 6.749 56 HD13 LEU 333 HD13 LEU 333 3.306 -7.520 5.896 57 HD21 LEU 333 HD21 LEU 333 3.118 -5.508 4.387 58 HD22 LEU 333 HD22 LEU 333 1.482 -4.901 4.195 59 HD23 LEU 333 HD23 LEU 333 1.821 -6.610 3.930 60 H ILE 334 H ILE 334 -0.716 -4.190 8.529 61 HA ILE 334 HA ILE 334 -2.412 -3.088 6.371 62 HB ILE 334 HB ILE 334 -2.780 -2.679 9.346 63 HG12 ILE 334 HG13 ILE 334 -4.669 -4.105 7.473 64 HG13 ILE 334 HG12 ILE 334 -3.373 -4.983 8.283 65 HG21 ILE 334 HG21 ILE 334 -4.972 -1.678 8.498 66 HG22 ILE 334 HG22 ILE 334 -4.252 -1.701 6.887 67 HG23 ILE 334 HG23 ILE 334 -3.523 -0.729 8.167 68 HD11 ILE 334 HD11 ILE 334 -5.052 -3.196 9.973 69 HD12 ILE 334 HD12 ILE 334 -4.328 -4.757 10.360 70 HD13 ILE 334 HD13 ILE 334 -5.800 -4.683 9.390 71 H ALA 335 H ALA 335 -2.078 -1.001 5.792 72 HA ALA 335 HA ALA 335 0.095 0.441 7.197 73 HB1 ALA 335 HB1 ALA 335 0.053 1.516 4.676 74 HB2 ALA 335 HB2 ALA 335 -0.325 -0.176 4.355 75 HB3 ALA 335 HB3 ALA 335 1.156 0.248 5.212 76 H ARG 336 H ARG 336 -0.376 2.385 7.964 77 HA ARG 336 HA ARG 336 -2.965 3.595 7.228 78 HB2 ARG 336 HB3 ARG 336 -1.390 4.544 9.584 79 HB3 ARG 336 HB2 ARG 336 -3.137 4.412 9.376 80 HG2 ARG 336 HG3 ARG 336 -2.846 1.893 9.395 81 HG3 ARG 336 HG2 ARG 336 -1.174 2.166 9.888 82 HD2 ARG 336 HD3 ARG 336 -2.101 3.576 11.796 83 HD3 ARG 336 HD2 ARG 336 -3.690 2.945 11.374 84 HE ARG 336 HE ARG 336 -1.535 1.491 12.667 85 HH11 ARG 336 HH21 ARG 336 -4.469 1.366 10.834 86 HH12 ARG 336 HH22 ARG 336 -4.880 -0.237 11.344 87 HH21 ARG 336 HH11 ARG 336 -2.070 -0.611 13.340 88 HH22 ARG 336 HH12 ARG 336 -3.522 -1.357 12.763 89 H ILE 337 H ILE 337 -2.974 5.417 6.085 90 HA ILE 337 HA ILE 337 -0.564 7.108 6.101 91 HB ILE 337 HB ILE 337 -2.196 6.574 3.627 92 HG12 ILE 337 HG13 ILE 337 0.492 5.397 4.399 93 HG13 ILE 337 HG12 ILE 337 -1.028 4.509 4.498 94 HG21 ILE 337 HG21 ILE 337 0.481 7.890 4.195 95 HG22 ILE 337 HG22 ILE 337 -0.976 8.679 3.594 96 HG23 ILE 337 HG23 ILE 337 -0.104 7.532 2.575 97 HD11 ILE 337 HD11 ILE 337 0.214 5.689 2.006 98 HD12 ILE 337 HD12 ILE 337 -1.391 4.963 2.064 99 HD13 ILE 337 HD13 ILE 337 0.039 3.976 2.388 100 HA PRO 338 HA PRO 338 -4.137 9.673 7.516 101 HB2 PRO 338 HB3 PRO 338 -1.819 11.561 7.694 102 HB3 PRO 338 HB2 PRO 338 -3.129 11.273 8.856 103 HG2 PRO 338 HG3 PRO 338 -0.692 10.287 9.245 104 HG3 PRO 338 HG2 PRO 338 -2.143 9.378 9.699 105 HD2 PRO 338 HD3 PRO 338 -0.273 8.930 7.435 106 HD3 PRO 338 HD2 PRO 338 -1.274 7.754 8.322 107 H VAL 339 H VAL 339 -5.417 10.536 5.995 108 HA VAL 339 HA VAL 339 -4.766 11.206 3.406 109 HB VAL 339 HB VAL 339 -6.833 12.584 3.394 110 HG11 VAL 339 HG11 VAL 339 -8.350 10.774 3.995 111 HG12 VAL 339 HG12 VAL 339 -7.113 10.034 5.011 112 HG13 VAL 339 HG13 VAL 339 -6.901 10.086 3.261 113 HG21 VAL 339 HG21 VAL 339 -6.208 12.721 6.220 114 HG22 VAL 339 HG22 VAL 339 -7.838 12.095 5.982 115 HG23 VAL 339 HG23 VAL 339 -7.386 13.656 5.300 116 H ALA 340 H ALA 340 -4.284 13.080 6.304 117 HA ALA 340 HA ALA 340 -3.993 15.648 5.216 118 HB1 ALA 340 HB1 ALA 340 -2.934 16.236 7.238 119 HB2 ALA 340 HB2 ALA 340 -2.287 14.613 7.472 120 HB3 ALA 340 HB3 ALA 340 -4.011 14.913 7.686 121 H ARG 341 H ARG 341 -2.188 12.879 4.618 122 HA ARG 341 HA ARG 341 0.270 14.355 3.984 123 HB2 ARG 341 HB3 ARG 341 -0.033 11.925 5.135 124 HB3 ARG 341 HB2 ARG 341 0.107 11.450 3.443 125 HG2 ARG 341 HG3 ARG 341 2.188 12.789 3.256 126 HG3 ARG 341 HG2 ARG 341 2.060 13.201 4.966 127 HD2 ARG 341 HD3 ARG 341 1.966 10.635 5.351 128 HD3 ARG 341 HD2 ARG 341 2.604 10.516 3.715 129 HE ARG 341 HE ARG 341 4.655 11.222 4.535 130 HH11 ARG 341 HH21 ARG 341 2.108 12.002 6.745 131 HH12 ARG 341 HH22 ARG 341 3.174 12.560 7.991 132 HH21 ARG 341 HH11 ARG 341 6.057 11.953 6.165 133 HH22 ARG 341 HH12 ARG 341 5.410 12.532 7.663 134 H ILE 342 H ILE 342 -1.988 12.072 2.434 135 HA ILE 342 HA ILE 342 -0.906 12.574 -0.191 136 HB ILE 342 HB ILE 342 -3.492 11.201 0.565 137 HG12 ILE 342 HG13 ILE 342 -1.211 9.519 -0.182 138 HG13 ILE 342 HG12 ILE 342 -0.925 10.415 1.305 139 HG21 ILE 342 HG21 ILE 342 -1.730 11.048 -1.902 140 HG22 ILE 342 HG22 ILE 342 -3.317 11.817 -1.807 141 HG23 ILE 342 HG23 ILE 342 -3.171 10.070 -1.617 142 HD11 ILE 342 HD11 ILE 342 -2.080 8.118 1.520 143 HD12 ILE 342 HD12 ILE 342 -3.502 8.906 0.850 144 HD13 ILE 342 HD13 ILE 342 -2.818 9.473 2.375 145 H LEU 343 H LEU 343 -4.129 13.129 1.251 146 HA LEU 343 HA LEU 343 -4.996 14.829 -0.859 147 HB2 LEU 343 HB3 LEU 343 -6.007 14.190 1.897 148 HB3 LEU 343 HB2 LEU 343 -6.748 15.490 0.968 149 HG LEU 343 HG LEU 343 -7.882 13.267 0.664 150 HD11 LEU 343 HD11 LEU 343 -6.792 13.679 -2.030 151 HD12 LEU 343 HD12 LEU 343 -7.296 15.177 -1.253 152 HD13 LEU 343 HD13 LEU 343 -8.446 13.859 -1.450 153 HD21 LEU 343 HD21 LEU 343 -5.659 12.015 0.824 154 HD22 LEU 343 HD22 LEU 343 -5.384 12.484 -0.853 155 HD23 LEU 343 HD23 LEU 343 -6.761 11.464 -0.435 156 H GLY 344 H GLY 344 -3.740 15.461 2.403 157 HA2 GLY 344 HA3 GLY 344 -2.621 17.313 3.217 158 HA3 GLY 344 HA2 GLY 344 -2.607 17.966 1.582 159 H ASP 345 H ASP 345 -5.343 17.026 3.653 160 HA ASP 345 HA ASP 345 -6.106 19.793 4.081 161 HB2 ASP 345 HB3 ASP 345 -7.692 17.959 2.286 162 HB3 ASP 345 HB2 ASP 345 -8.399 19.369 3.069 163 HA PRO 346 HA PRO 346 -7.517 16.817 7.320 164 HB2 PRO 346 HB3 PRO 346 -6.149 17.910 9.408 165 HB3 PRO 346 HB2 PRO 346 -5.445 16.702 8.317 166 HG2 PRO 346 HG3 PRO 346 -4.977 19.612 8.464 167 HG3 PRO 346 HG2 PRO 346 -3.897 18.314 7.940 168 HD2 PRO 346 HD3 PRO 346 -5.335 20.062 6.255 169 HD3 PRO 346 HD2 PRO 346 -4.503 18.571 5.759 170 H GLU 347 H GLU 347 -6.729 20.019 8.649 171 HA GLU 347 HA GLU 347 -9.601 20.614 8.904 172 HB2 GLU 347 HB3 GLU 347 -7.573 20.824 11.143 173 HB3 GLU 347 HB2 GLU 347 -9.248 21.365 11.228 174 HG2 GLU 347 HG3 GLU 347 -9.595 18.803 10.365 175 HG3 GLU 347 HG2 GLU 347 -8.143 18.622 11.346 176 H GLU 348 H GLU 348 -7.569 21.603 7.099 177 HA GLU 348 HA GLU 348 -6.557 23.573 6.398 178 HB2 GLU 348 HB3 GLU 348 -9.124 24.740 7.494 179 HB3 GLU 348 HB2 GLU 348 -8.152 25.354 6.154 180 HG2 GLU 348 HG3 GLU 348 -8.585 22.853 5.256 181 HG3 GLU 348 HG2 GLU 348 -10.043 23.060 6.227 182 H GLU 349 H GLU 349 -7.421 26.195 7.640 183 HA GLU 349 HA GLU 349 -5.833 26.062 10.129 184 HB2 GLU 349 HB3 GLU 349 -5.490 27.838 7.742 185 HB3 GLU 349 HB2 GLU 349 -5.105 28.469 9.345 186 HG2 GLU 349 HG3 GLU 349 -4.052 25.777 8.538 187 HG3 GLU 349 HG2 GLU 349 -3.248 27.230 7.946 188 H1 MET 499 H1 MET 499 3.789 -25.844 1.430 189 H2 MET 499 H2 MET 499 2.702 -25.502 0.170 190 H3 MET 499 H3 MET 499 2.221 -25.306 1.789 191 HA MET 499 HA MET 499 3.707 -23.484 2.099 192 HB2 MET 499 HB3 MET 499 5.108 -24.717 0.009 193 HB3 MET 499 HB2 MET 499 4.550 -23.188 -0.669 194 HG2 MET 499 HG3 MET 499 6.674 -22.750 0.370 195 HG3 MET 499 HG2 MET 499 5.439 -22.055 1.419 196 HE1 MET 499 HE1 MET 499 8.173 -23.218 3.827 197 HE2 MET 499 HE2 MET 499 6.754 -22.176 3.898 198 HE3 MET 499 HE3 MET 499 7.840 -22.081 2.513 199 H ASP 500 H ASP 500 3.065 -21.351 1.540 200 HA ASP 500 HA ASP 500 1.414 -20.731 -0.685 201 HB2 ASP 500 HB3 ASP 500 -0.714 -20.924 0.093 202 HB3 ASP 500 HB2 ASP 500 -0.004 -22.168 1.120 203 H LYS 501 H LYS 501 2.958 -20.010 2.268 204 HA LYS 501 HA LYS 501 2.054 -17.383 2.748 205 HB2 LYS 501 HB3 LYS 501 4.868 -18.334 3.273 206 HB3 LYS 501 HB2 LYS 501 3.922 -17.157 4.186 207 HG2 LYS 501 HG3 LYS 501 2.264 -19.179 4.509 208 HG3 LYS 501 HG2 LYS 501 3.690 -20.150 4.144 209 HD2 LYS 501 HD3 LYS 501 3.962 -19.956 6.426 210 HD3 LYS 501 HD2 LYS 501 4.805 -18.490 5.921 211 HE2 LYS 501 HE3 LYS 501 3.287 -17.839 7.665 212 HE3 LYS 501 HE2 LYS 501 2.586 -17.271 6.149 213 HZ1 LYS 501 HZ1 LYS 501 1.216 -19.279 6.093 214 HZ2 LYS 501 HZ2 LYS 501 0.920 -18.356 7.490 215 HZ3 LYS 501 HZ3 LYS 501 1.861 -19.768 7.584 216 H ALA 502 H ALA 502 3.920 -18.663 0.204 217 HA ALA 502 HA ALA 502 5.760 -16.796 -0.515 218 HB1 ALA 502 HB1 ALA 502 5.747 -18.187 -2.276 219 HB2 ALA 502 HB2 ALA 502 4.377 -17.270 -2.904 220 HB3 ALA 502 HB3 ALA 502 4.099 -18.709 -1.922 221 H TYR 503 H TYR 503 2.295 -16.598 -1.358 222 HA TYR 503 HA TYR 503 2.283 -14.127 -2.598 223 HB2 TYR 503 HB3 TYR 503 0.363 -15.899 -2.007 224 HB3 TYR 503 HB2 TYR 503 0.030 -14.712 -0.747 225 HD1 TYR 503 HD2 TYR 503 0.194 -12.165 -1.627 226 HD2 TYR 503 HD1 TYR 503 -0.724 -15.590 -4.053 227 HE1 TYR 503 HE2 TYR 503 -0.914 -10.693 -3.287 228 HE2 TYR 503 HE1 TYR 503 -1.831 -14.117 -5.712 229 HH TYR 503 HH TYR 503 -1.504 -10.720 -5.661 230 H LEU 504 H LEU 504 1.473 -14.698 0.835 231 HA LEU 504 HA LEU 504 1.385 -12.023 1.623 232 HB2 LEU 504 HB3 LEU 504 1.920 -14.597 3.070 233 HB3 LEU 504 HB2 LEU 504 2.099 -13.061 3.920 234 HG LEU 504 HG LEU 504 -0.370 -13.420 2.293 235 HD11 LEU 504 HD11 LEU 504 0.176 -14.860 4.902 236 HD12 LEU 504 HD12 LEU 504 -0.296 -15.582 3.364 237 HD13 LEU 504 HD13 LEU 504 -1.443 -14.586 4.259 238 HD21 LEU 504 HD21 LEU 504 0.185 -12.301 5.060 239 HD22 LEU 504 HD22 LEU 504 -1.325 -12.142 4.161 240 HD23 LEU 504 HD23 LEU 504 0.138 -11.351 3.574 241 H ASP 505 H ASP 505 4.126 -14.216 1.306 242 HA ASP 505 HA ASP 505 6.085 -12.731 2.637 243 HB2 ASP 505 HB3 ASP 505 6.057 -15.081 1.249 244 HB3 ASP 505 HB2 ASP 505 6.963 -14.042 0.150 245 H GLU 506 H GLU 506 5.120 -12.634 -0.792 246 HA GLU 506 HA GLU 506 6.926 -10.623 -1.587 247 HB2 GLU 506 HB3 GLU 506 4.193 -11.297 -2.707 248 HB3 GLU 506 HB2 GLU 506 5.415 -10.314 -3.515 249 HG2 GLU 506 HG3 GLU 506 6.475 -12.869 -2.564 250 HG3 GLU 506 HG2 GLU 506 5.166 -13.069 -3.727 251 H LEU 507 H LEU 507 3.511 -10.400 -0.574 252 HA LEU 507 HA LEU 507 3.115 -7.678 -0.838 253 HB2 LEU 507 HB3 LEU 507 1.989 -9.817 0.863 254 HB3 LEU 507 HB2 LEU 507 1.732 -8.173 1.443 255 HG LEU 507 HG LEU 507 1.160 -9.031 -1.417 256 HD11 LEU 507 HD11 LEU 507 -0.440 -10.302 -0.352 257 HD12 LEU 507 HD12 LEU 507 -1.295 -8.762 -0.414 258 HD13 LEU 507 HD13 LEU 507 -0.481 -9.261 1.069 259 HD21 LEU 507 HD21 LEU 507 -0.465 -6.879 -0.453 260 HD22 LEU 507 HD22 LEU 507 0.749 -6.843 -1.731 261 HD23 LEU 507 HD23 LEU 507 1.216 -6.506 -0.068 262 H VAL 508 H VAL 508 4.480 -9.423 1.943 263 HA VAL 508 HA VAL 508 4.904 -7.151 3.569 264 HB VAL 508 HB VAL 508 6.397 -9.786 3.535 265 HG11 VAL 508 HG11 VAL 508 7.708 -8.367 4.859 266 HG12 VAL 508 HG12 VAL 508 6.606 -9.066 6.045 267 HG13 VAL 508 HG13 VAL 508 6.315 -7.443 5.421 268 HG21 VAL 508 HG21 VAL 508 4.562 -9.519 5.701 269 HG22 VAL 508 HG22 VAL 508 4.498 -10.669 4.365 270 HG23 VAL 508 HG23 VAL 508 3.695 -9.105 4.221 271 H GLU 509 H GLU 509 7.116 -8.940 1.423 272 HA GLU 509 HA GLU 509 9.380 -7.331 1.832 273 HB2 GLU 509 HB3 GLU 509 8.541 -8.930 -0.597 274 HB3 GLU 509 HB2 GLU 509 10.143 -8.230 -0.366 275 HG2 GLU 509 HG3 GLU 509 9.120 -9.844 1.898 276 HG3 GLU 509 HG2 GLU 509 9.479 -10.745 0.426 277 H LEU 510 H LEU 510 6.727 -7.048 -0.509 278 HA LEU 510 HA LEU 510 7.770 -4.925 -2.016 279 HB2 LEU 510 HB3 LEU 510 5.830 -6.274 -2.722 280 HB3 LEU 510 HB2 LEU 510 4.876 -5.578 -1.411 281 HG LEU 510 HG LEU 510 6.199 -3.535 -3.014 282 HD11 LEU 510 HD11 LEU 510 5.892 -5.120 -4.840 283 HD12 LEU 510 HD12 LEU 510 4.699 -3.831 -4.991 284 HD13 LEU 510 HD13 LEU 510 4.220 -5.404 -4.352 285 HD21 LEU 510 HD21 LEU 510 3.988 -2.540 -2.939 286 HD22 LEU 510 HD22 LEU 510 4.335 -3.230 -1.353 287 HD23 LEU 510 HD23 LEU 510 3.267 -4.079 -2.471 288 H HIS 511 H HIS 511 5.249 -4.769 0.521 289 HA HIS 511 HA HIS 511 5.154 -2.003 0.768 290 HB2 HIS 511 HB3 HIS 511 4.021 -4.194 2.087 291 HB3 HIS 511 HB2 HIS 511 4.872 -3.298 3.346 292 HD1 HIS 511 HD1 HIS 511 2.989 -2.023 0.281 293 HD2 HIS 511 HD2 HIS 511 2.941 -1.646 4.433 294 HE1 HIS 511 HE1 HIS 511 1.221 -0.293 0.823 295 HE2 HIS 511 HE2 HIS 511 1.179 -0.052 3.350 296 H ARG 512 H ARG 512 7.303 -4.338 2.352 297 HA ARG 512 HA ARG 512 8.560 -2.629 4.172 298 HB2 ARG 512 HB3 ARG 512 9.244 -5.193 2.843 299 HB3 ARG 512 HB2 ARG 512 10.587 -4.284 3.538 300 HG2 ARG 512 HG3 ARG 512 9.431 -4.185 5.699 301 HG3 ARG 512 HG2 ARG 512 8.047 -5.038 5.014 302 HD2 ARG 512 HD3 ARG 512 9.402 -6.658 6.188 303 HD3 ARG 512 HD2 ARG 512 9.589 -6.946 4.462 304 HE ARG 512 HE ARG 512 11.658 -5.274 5.023 305 HH11 ARG 512 HH21 ARG 512 10.453 -8.194 6.437 306 HH12 ARG 512 HH22 ARG 512 12.006 -8.735 6.980 307 HH21 ARG 512 HH11 ARG 512 13.697 -5.977 5.733 308 HH22 ARG 512 HH12 ARG 512 13.842 -7.479 6.583 309 H ARG 513 H ARG 513 9.497 -3.427 0.825 310 HA ARG 513 HA ARG 513 11.769 -1.774 0.708 311 HB2 ARG 513 HB3 ARG 513 9.990 -3.097 -1.271 312 HB3 ARG 513 HB2 ARG 513 11.007 -1.780 -1.858 313 HG2 ARG 513 HG3 ARG 513 13.006 -2.871 -1.142 314 HG3 ARG 513 HG2 ARG 513 12.103 -4.049 -0.187 315 HD2 ARG 513 HD3 ARG 513 11.681 -5.362 -1.985 316 HD3 ARG 513 HD2 ARG 513 11.324 -3.981 -3.020 317 HE ARG 513 HE ARG 513 13.882 -5.312 -2.734 318 HH11 ARG 513 HH21 ARG 513 12.187 -2.416 -3.584 319 HH12 ARG 513 HH22 ARG 513 13.443 -1.819 -4.617 320 HH21 ARG 513 HH11 ARG 513 15.534 -4.535 -4.086 321 HH22 ARG 513 HH12 ARG 513 15.338 -3.019 -4.900 322 H LEU 514 H LEU 514 8.356 -1.128 0.004 323 HA LEU 514 HA LEU 514 8.726 1.483 -1.040 324 HB2 LEU 514 HB3 LEU 514 6.671 0.173 -1.401 325 HB3 LEU 514 HB2 LEU 514 6.306 0.275 0.322 326 HG LEU 514 HG LEU 514 6.883 2.897 -0.756 327 HD11 LEU 514 HD11 LEU 514 4.654 1.308 -2.059 328 HD12 LEU 514 HD12 LEU 514 6.051 2.019 -2.869 329 HD13 LEU 514 HD13 LEU 514 4.819 3.061 -2.159 330 HD21 LEU 514 HD21 LEU 514 4.314 1.742 0.365 331 HD22 LEU 514 HD22 LEU 514 4.794 3.439 0.345 332 HD23 LEU 514 HD23 LEU 514 5.660 2.290 1.366 333 H MET 515 H MET 515 8.161 0.230 2.219 334 HA MET 515 HA MET 515 7.668 2.643 3.545 335 HB2 MET 515 HB3 MET 515 7.625 0.165 4.393 336 HB3 MET 515 HB2 MET 515 9.302 0.488 4.837 337 HG2 MET 515 HG3 MET 515 8.205 1.167 6.771 338 HG3 MET 515 HG2 MET 515 8.277 2.687 5.881 339 HE1 MET 515 HE1 MET 515 4.798 2.163 7.891 340 HE2 MET 515 HE2 MET 515 6.390 2.915 7.973 341 HE3 MET 515 HE3 MET 515 6.233 1.176 8.204 342 H THR 516 H THR 516 10.450 1.661 1.914 343 HA THR 516 HA THR 516 12.227 3.352 3.541 344 HB THR 516 HB THR 516 14.032 2.231 2.576 345 HG1 THR 516 HG1 THR 516 12.241 1.901 0.461 346 HG21 THR 516 HG21 THR 516 13.624 0.046 3.152 347 HG22 THR 516 HG22 THR 516 12.135 -0.031 2.211 348 HG23 THR 516 HG23 THR 516 12.140 0.761 3.785 349 H LEU 517 H LEU 517 10.563 3.214 0.498 350 HA LEU 517 HA LEU 517 12.044 4.985 -1.058 351 HB2 LEU 517 HB3 LEU 517 9.396 3.854 -1.099 352 HB3 LEU 517 HB2 LEU 517 9.323 5.557 -1.544 353 HG LEU 517 HG LEU 517 11.141 5.176 -3.200 354 HD11 LEU 517 HD11 LEU 517 10.986 2.352 -3.460 355 HD12 LEU 517 HD12 LEU 517 11.324 2.690 -1.763 356 HD13 LEU 517 HD13 LEU 517 12.395 3.316 -3.015 357 HD21 LEU 517 HD21 LEU 517 9.128 5.070 -4.317 358 HD22 LEU 517 HD22 LEU 517 8.503 3.783 -3.285 359 HD23 LEU 517 HD23 LEU 517 9.654 3.405 -4.567 360 H ARG 518 H ARG 518 11.518 7.246 -1.596 361 HA ARG 518 HA ARG 518 10.494 8.780 0.711 362 HB2 ARG 518 HB3 ARG 518 13.104 8.658 0.384 363 HB3 ARG 518 HB2 ARG 518 12.793 9.834 -0.893 364 HG2 ARG 518 HG3 ARG 518 11.301 10.950 1.030 365 HG3 ARG 518 HG2 ARG 518 12.459 10.108 2.060 366 HD2 ARG 518 HD3 ARG 518 14.310 11.161 0.737 367 HD3 ARG 518 HD2 ARG 518 13.097 12.095 -0.136 368 HE ARG 518 HE ARG 518 14.057 12.607 2.524 369 HH11 ARG 518 HH21 ARG 518 11.345 12.811 0.384 370 HH12 ARG 518 HH22 ARG 518 10.617 14.149 1.210 371 HH21 ARG 518 HH11 ARG 518 13.110 14.360 3.612 372 HH22 ARG 518 HH12 ARG 518 11.617 15.025 3.039 373 H GLU 519 H GLU 519 9.908 7.979 -2.337 374 HA GLU 519 HA GLU 519 9.437 10.620 -3.460 375 HB2 GLU 519 HB3 GLU 519 9.181 7.802 -4.422 376 HB3 GLU 519 HB2 GLU 519 8.243 9.056 -5.233 377 HG2 GLU 519 HG3 GLU 519 10.445 8.740 -6.313 378 HG3 GLU 519 HG2 GLU 519 10.290 10.356 -5.629 379 H ARG 520 H ARG 520 7.751 11.756 -2.742 380 HA ARG 520 HA ARG 520 5.450 10.533 -1.530 381 HB2 ARG 520 HB3 ARG 520 6.612 13.055 -1.473 382 HB3 ARG 520 HB2 ARG 520 5.107 13.308 -2.356 383 HG2 ARG 520 HG3 ARG 520 3.929 12.026 -0.511 384 HG3 ARG 520 HG2 ARG 520 5.440 12.098 0.399 385 HD2 ARG 520 HD3 ARG 520 4.082 13.960 1.110 386 HD3 ARG 520 HD2 ARG 520 5.392 14.603 0.126 387 HE ARG 520 HE ARG 520 3.343 14.193 -1.657 388 HH11 ARG 520 HH21 ARG 520 3.749 15.870 1.343 389 HH12 ARG 520 HH22 ARG 520 2.587 17.102 0.972 390 HH21 ARG 520 HH11 ARG 520 1.818 15.802 -2.150 391 HH22 ARG 520 HH12 ARG 520 1.494 17.062 -1.006 392 H HIS 521 H HIS 521 6.169 12.027 -4.652 393 HA HIS 521 HA HIS 521 3.609 12.208 -5.715 394 HB2 HIS 521 HB3 HIS 521 6.249 12.429 -6.677 395 HB3 HIS 521 HB2 HIS 521 5.445 11.256 -7.722 396 HD1 HIS 521 HD1 HIS 521 4.024 14.369 -6.037 397 HD2 HIS 521 HD2 HIS 521 4.560 12.782 -9.855 398 HE1 HIS 521 HE1 HIS 521 2.886 15.963 -7.641 399 HE2 HIS 521 HE2 HIS 521 3.211 15.015 -9.974 400 H ILE 522 H ILE 522 5.887 9.471 -6.044 401 HA ILE 522 HA ILE 522 4.204 7.722 -7.405 402 HB ILE 522 HB ILE 522 6.472 7.279 -5.477 403 HG12 ILE 522 HG13 ILE 522 6.203 6.594 -8.416 404 HG13 ILE 522 HG12 ILE 522 6.778 8.166 -7.857 405 HG21 ILE 522 HG21 ILE 522 5.338 5.280 -5.100 406 HG22 ILE 522 HG22 ILE 522 6.291 4.858 -6.524 407 HG23 ILE 522 HG23 ILE 522 4.588 5.285 -6.696 408 HD11 ILE 522 HD11 ILE 522 8.808 7.340 -7.286 409 HD12 ILE 522 HD12 ILE 522 8.368 5.942 -8.268 410 HD13 ILE 522 HD13 ILE 522 8.104 5.914 -6.523 411 H LEU 523 H LEU 523 4.356 8.523 -3.991 412 HA LEU 523 HA LEU 523 2.781 6.388 -3.009 413 HB2 LEU 523 HB3 LEU 523 3.979 8.765 -1.970 414 HB3 LEU 523 HB2 LEU 523 2.298 8.707 -1.439 415 HG LEU 523 HG LEU 523 2.666 6.354 -0.679 416 HD11 LEU 523 HD11 LEU 523 5.026 6.640 -2.224 417 HD12 LEU 523 HD12 LEU 523 4.525 5.235 -1.283 418 HD13 LEU 523 HD13 LEU 523 5.544 6.474 -0.548 419 HD21 LEU 523 HD21 LEU 523 4.168 6.981 1.255 420 HD22 LEU 523 HD22 LEU 523 2.849 8.117 0.967 421 HD23 LEU 523 HD23 LEU 523 4.485 8.509 0.433 422 H GLN 524 H GLN 524 1.929 9.614 -4.201 423 HA GLN 524 HA GLN 524 -0.808 9.566 -3.579 424 HB2 GLN 524 HB3 GLN 524 0.749 10.953 -5.766 425 HB3 GLN 524 HB2 GLN 524 -0.981 11.199 -5.526 426 HG2 GLN 524 HG3 GLN 524 -0.639 12.531 -3.734 427 HG3 GLN 524 HG2 GLN 524 0.520 11.409 -3.027 428 HE21 GLN 524 HE21 GLN 524 2.171 12.937 -2.517 429 HE22 GLN 524 HE22 GLN 524 2.994 13.833 -3.700 430 H GLN 525 H GLN 525 0.921 8.507 -6.503 431 HA GLN 525 HA GLN 525 -1.317 7.773 -8.027 432 HB2 GLN 525 HB3 GLN 525 1.556 7.382 -8.130 433 HB3 GLN 525 HB2 GLN 525 0.694 5.944 -8.672 434 HG2 GLN 525 HG3 GLN 525 1.095 7.492 -10.551 435 HG3 GLN 525 HG2 GLN 525 -0.629 7.312 -10.233 436 HE21 GLN 525 HE21 GLN 525 -0.121 9.591 -11.560 437 HE22 GLN 525 HE22 GLN 525 -0.112 10.945 -10.537 438 H ILE 526 H ILE 526 0.650 5.866 -5.757 439 HA ILE 526 HA ILE 526 -0.597 3.393 -6.085 440 HB ILE 526 HB ILE 526 0.688 4.679 -3.676 441 HG12 ILE 526 HG13 ILE 526 1.645 2.315 -5.289 442 HG13 ILE 526 HG12 ILE 526 1.950 3.963 -5.840 443 HG21 ILE 526 HG21 ILE 526 -0.738 2.069 -3.976 444 HG22 ILE 526 HG22 ILE 526 -0.599 3.114 -2.562 445 HG23 ILE 526 HG23 ILE 526 0.755 2.088 -3.036 446 HD11 ILE 526 HD11 ILE 526 3.394 4.423 -4.108 447 HD12 ILE 526 HD12 ILE 526 3.656 2.685 -4.225 448 HD13 ILE 526 HD13 ILE 526 2.571 3.333 -2.992 449 H VAL 527 H VAL 527 -1.384 5.998 -3.781 450 HA VAL 527 HA VAL 527 -3.487 4.879 -2.423 451 HB VAL 527 HB VAL 527 -3.360 7.715 -3.479 452 HG11 VAL 527 HG11 VAL 527 -4.741 8.156 -1.412 453 HG12 VAL 527 HG12 VAL 527 -4.921 6.412 -1.232 454 HG13 VAL 527 HG13 VAL 527 -5.578 7.225 -2.654 455 HG21 VAL 527 HG21 VAL 527 -1.735 8.087 -1.960 456 HG22 VAL 527 HG22 VAL 527 -1.636 6.343 -1.719 457 HG23 VAL 527 HG23 VAL 527 -2.686 7.319 -0.688 458 H ASN 528 H ASN 528 -3.642 6.496 -5.592 459 HA ASN 528 HA ASN 528 -6.404 6.238 -6.004 460 HB2 ASN 528 HB3 ASN 528 -4.284 7.280 -7.429 461 HB3 ASN 528 HB2 ASN 528 -4.781 5.913 -8.425 462 HD21 ASN 528 HD21 ASN 528 -5.180 8.913 -8.843 463 HD22 ASN 528 HD22 ASN 528 -6.854 9.088 -9.068 464 H LEU 529 H LEU 529 -3.732 4.016 -6.667 465 HA LEU 529 HA LEU 529 -5.155 2.085 -8.111 466 HB2 LEU 529 HB3 LEU 529 -2.573 2.336 -6.933 467 HB3 LEU 529 HB2 LEU 529 -3.246 0.797 -6.401 468 HG LEU 529 HG LEU 529 -2.011 0.546 -8.516 469 HD11 LEU 529 HD11 LEU 529 -3.498 -1.031 -9.126 470 HD12 LEU 529 HD12 LEU 529 -4.667 0.187 -9.634 471 HD13 LEU 529 HD13 LEU 529 -4.610 -0.331 -7.949 472 HD21 LEU 529 HD21 LEU 529 -2.211 2.011 -10.228 473 HD22 LEU 529 HD22 LEU 529 -3.136 3.027 -9.121 474 HD23 LEU 529 HD23 LEU 529 -3.971 1.906 -10.198 475 H ILE 530 H ILE 530 -4.791 2.563 -4.634 476 HA ILE 530 HA ILE 530 -6.114 0.173 -3.846 477 HB ILE 530 HB ILE 530 -6.065 2.725 -2.244 478 HG12 ILE 530 HG13 ILE 530 -3.809 2.487 -3.038 479 HG13 ILE 530 HG12 ILE 530 -3.832 1.843 -1.401 480 HG21 ILE 530 HG21 ILE 530 -5.461 0.117 -1.029 481 HG22 ILE 530 HG22 ILE 530 -7.085 0.234 -1.705 482 HG23 ILE 530 HG23 ILE 530 -6.548 1.387 -0.480 483 HD11 ILE 530 HD11 ILE 530 -2.650 0.206 -2.630 484 HD12 ILE 530 HD12 ILE 530 -3.741 0.329 -4.009 485 HD13 ILE 530 HD13 ILE 530 -4.283 -0.449 -2.521 486 H GLU 531 H GLU 531 -7.203 3.430 -4.603 487 HA GLU 531 HA GLU 531 -9.898 3.033 -3.707 488 HB2 GLU 531 HB3 GLU 531 -8.551 5.108 -5.427 489 HB3 GLU 531 HB2 GLU 531 -10.294 5.115 -5.155 490 HG2 GLU 531 HG3 GLU 531 -9.995 5.309 -2.769 491 HG3 GLU 531 HG2 GLU 531 -8.255 5.061 -2.917 492 H GLU 532 H GLU 532 -8.148 2.432 -6.656 493 HA GLU 532 HA GLU 532 -10.354 2.249 -8.428 494 HB2 GLU 532 HB3 GLU 532 -7.516 1.773 -8.519 495 HB3 GLU 532 HB2 GLU 532 -8.370 0.435 -9.287 496 HG2 GLU 532 HG3 GLU 532 -9.651 2.051 -10.657 497 HG3 GLU 532 HG2 GLU 532 -8.759 3.375 -9.911 498 H THR 533 H THR 533 -8.654 -0.179 -6.464 499 HA THR 533 HA THR 533 -10.281 -2.361 -7.357 500 HB THR 533 HB THR 533 -8.077 -2.859 -6.516 501 HG1 THR 533 HG1 THR 533 -10.124 -4.103 -5.813 502 HG21 THR 533 HG21 THR 533 -7.542 -2.400 -4.106 503 HG22 THR 533 HG22 THR 533 -9.041 -1.478 -3.999 504 HG23 THR 533 HG23 THR 533 -7.753 -0.939 -5.074 505 H GLY 534 H GLY 534 -11.119 0.264 -5.638 506 HA2 GLY 534 HA3 GLY 534 -12.726 0.765 -4.052 507 HA3 GLY 534 HA2 GLY 534 -13.629 -0.498 -4.879 508 H HIS 535 H HIS 535 -10.631 -1.191 -3.248 509 HA HIS 535 HA HIS 535 -12.123 -2.520 -1.063 510 HB2 HIS 535 HB3 HIS 535 -10.583 -3.753 -3.061 511 HB3 HIS 535 HB2 HIS 535 -9.582 -3.780 -1.611 512 HD1 HIS 535 HD1 HIS 535 -10.350 -5.238 0.348 513 HD2 HIS 535 HD2 HIS 535 -13.094 -5.149 -2.790 514 HE1 HIS 535 HE1 HIS 535 -12.067 -7.031 0.848 515 HE2 HIS 535 HE2 HIS 535 -13.747 -6.989 -1.056 516 H PHE 536 H PHE 536 -11.774 -1.097 0.573 517 HA PHE 536 HA PHE 536 -9.258 -1.074 1.873 518 HB2 PHE 536 HB3 PHE 536 -8.716 1.321 1.634 519 HB3 PHE 536 HB2 PHE 536 -8.616 0.473 0.093 520 HD1 PHE 536 HD1 PHE 536 -10.570 2.849 2.120 521 HD2 PHE 536 HD2 PHE 536 -10.239 0.873 -1.679 522 HE1 PHE 536 HE1 PHE 536 -12.233 4.418 1.161 523 HE2 PHE 536 HE2 PHE 536 -11.898 2.441 -2.640 524 HZ PHE 536 HZ PHE 536 -12.901 4.212 -1.221 525 H HIS 537 H HIS 537 -9.300 0.956 3.537 526 HA HIS 537 HA HIS 537 -12.062 1.294 4.508 527 HB2 HIS 537 HB3 HIS 537 -10.440 -0.580 5.617 528 HB3 HIS 537 HB2 HIS 537 -10.012 0.828 6.588 529 HD1 HIS 537 HD1 HIS 537 -12.953 -1.355 5.680 530 HD2 HIS 537 HD2 HIS 537 -12.048 1.736 8.325 531 HE1 HIS 537 HE1 HIS 537 -14.910 -1.186 7.279 532 HE2 HIS 537 HE2 HIS 537 -14.374 0.696 8.898 533 H ILE 538 H ILE 538 -12.198 3.466 4.165 534 HA ILE 538 HA ILE 538 -9.991 5.189 5.000 535 HB ILE 538 HB ILE 538 -11.069 5.585 2.817 536 HG12 ILE 538 HG13 ILE 538 -12.025 7.984 4.146 537 HG13 ILE 538 HG12 ILE 538 -10.476 7.465 4.811 538 HG21 ILE 538 HG21 ILE 538 -13.512 6.515 4.306 539 HG22 ILE 538 HG22 ILE 538 -13.362 4.830 3.809 540 HG23 ILE 538 HG23 ILE 538 -13.345 6.112 2.598 541 HD11 ILE 538 HD11 ILE 538 -10.225 8.986 2.844 542 HD12 ILE 538 HD12 ILE 538 -11.052 7.781 1.855 543 HD13 ILE 538 HD13 ILE 538 -9.494 7.400 2.585 544 H THR 539 H THR 539 -9.972 6.252 6.872 545 HA THR 539 HA THR 539 -12.278 6.053 8.644 546 HB THR 539 HB THR 539 -10.020 7.606 9.638 547 HG1 THR 539 HG1 THR 539 -8.819 6.337 8.253 548 HG21 THR 539 HG21 THR 539 -10.167 5.942 11.443 549 HG22 THR 539 HG22 THR 539 -11.251 4.960 10.457 550 HG23 THR 539 HG23 THR 539 -11.770 6.547 11.025 551 H ASN 540 H ASN 540 -13.216 7.883 9.682 552 HA ASN 540 HA ASN 540 -13.766 10.053 7.945 553 HB2 ASN 540 HB3 ASN 540 -15.250 10.777 9.571 554 HB3 ASN 540 HB2 ASN 540 -15.128 9.062 9.959 555 HD21 ASN 540 HD21 ASN 540 -14.124 8.472 11.961 556 HD22 ASN 540 HD22 ASN 540 -13.591 9.618 13.092 557 H THR 541 H THR 541 -11.104 9.439 9.917 558 HA THR 541 HA THR 541 -10.231 12.234 9.654 559 HB THR 541 HB THR 541 -9.135 11.615 12.054 560 HG1 THR 541 HG1 THR 541 -11.752 10.741 12.411 561 HG21 THR 541 HG21 THR 541 -10.269 13.694 11.592 562 HG22 THR 541 HG22 THR 541 -11.028 12.980 13.015 563 HG23 THR 541 HG23 THR 541 -11.822 12.871 11.443 564 H THR 542 H THR 542 -9.679 9.317 8.642 565 HA THR 542 HA THR 542 -6.885 9.717 8.188 566 HB THR 542 HB THR 542 -7.312 7.174 9.668 567 HG1 THR 542 HG1 THR 542 -6.831 8.408 11.622 568 HG21 THR 542 HG21 THR 542 -5.098 9.241 9.639 569 HG22 THR 542 HG22 THR 542 -5.156 7.807 8.617 570 HG23 THR 542 HG23 THR 542 -5.011 7.637 10.366 571 H PHE 543 H PHE 543 -5.934 7.825 6.984 572 HA PHE 543 HA PHE 543 -8.006 6.269 5.573 573 HB2 PHE 543 HB3 PHE 543 -7.543 7.946 4.002 574 HB3 PHE 543 HB2 PHE 543 -5.829 7.984 4.413 575 HD1 PHE 543 HD1 PHE 543 -8.348 5.404 3.344 576 HD2 PHE 543 HD2 PHE 543 -4.410 7.045 2.824 577 HE1 PHE 543 HE1 PHE 543 -7.883 3.738 1.568 578 HE2 PHE 543 HE2 PHE 543 -3.950 5.383 1.046 579 HZ PHE 543 HZ PHE 543 -5.686 3.726 0.419 580 H ASP 544 H ASP 544 -7.614 4.164 5.765 581 HA ASP 544 HA ASP 544 -4.828 3.209 5.671 582 HB2 ASP 544 HB3 ASP 544 -4.967 1.975 7.630 583 HB3 ASP 544 HB2 ASP 544 -5.834 3.446 8.071 584 H PHE 545 H PHE 545 -4.592 1.045 4.978 585 HA PHE 545 HA PHE 545 -6.979 -0.399 4.117 586 HB2 PHE 545 HB3 PHE 545 -6.299 -0.551 1.790 587 HB3 PHE 545 HB2 PHE 545 -6.468 1.146 2.234 588 HD1 PHE 545 HD2 PHE 545 -4.308 2.322 3.130 589 HD2 PHE 545 HD1 PHE 545 -4.305 -1.282 0.796 590 HE1 PHE 545 HE2 PHE 545 -1.948 2.734 2.494 591 HE2 PHE 545 HE1 PHE 545 -1.948 -0.864 0.157 592 HZ PHE 545 HZ PHE 545 -0.768 1.143 1.007 593 H ASP 546 H ASP 546 -6.631 -2.587 3.800 594 HA ASP 546 HA ASP 546 -4.200 -3.620 4.998 595 HB2 ASP 546 HB3 ASP 546 -5.854 -5.702 3.975 596 HB3 ASP 546 HB2 ASP 546 -5.569 -5.258 5.653 597 H LEU 547 H LEU 547 -2.619 -4.779 3.994 598 HA LEU 547 HA LEU 547 -2.398 -4.479 1.123 599 HB2 LEU 547 HB3 LEU 547 -0.631 -5.341 3.348 600 HB3 LEU 547 HB2 LEU 547 -0.250 -5.962 1.745 601 HG LEU 547 HG LEU 547 0.894 -3.780 2.309 602 HD11 LEU 547 HD11 LEU 547 -0.375 -4.556 -0.086 603 HD12 LEU 547 HD12 LEU 547 0.969 -3.431 0.101 604 HD13 LEU 547 HD13 LEU 547 -0.693 -2.834 0.098 605 HD21 LEU 547 HD21 LEU 547 -0.307 -1.830 2.700 606 HD22 LEU 547 HD22 LEU 547 -1.333 -3.019 3.494 607 HD23 LEU 547 HD23 LEU 547 -1.747 -2.425 1.888 608 H CYS 548 H CYS 548 -2.926 -7.093 3.416 609 HA CYS 548 HA CYS 548 -2.807 -9.155 1.406 610 HB2 CYS 548 HB3 CYS 548 -2.266 -9.556 3.806 611 HB3 CYS 548 HB2 CYS 548 -3.963 -9.278 4.201 612 HG CYS 548 HG CYS 548 -4.616 -11.424 2.955 613 H SER 549 H SER 549 -4.926 -6.753 1.694 614 HA SER 549 HA SER 549 -7.324 -8.408 1.231 615 HB2 SER 549 HB3 SER 549 -8.553 -6.240 1.519 616 HB3 SER 549 HB2 SER 549 -7.666 -6.756 2.947 617 HG SER 549 HG SER 549 -6.587 -5.015 0.988 618 H LEU 550 H LEU 550 -5.140 -6.135 -0.245 619 HA LEU 550 HA LEU 550 -6.668 -5.304 -2.441 620 HB2 LEU 550 HB3 LEU 550 -3.695 -5.862 -2.447 621 HB3 LEU 550 HB2 LEU 550 -4.573 -4.744 -3.493 622 HG LEU 550 HG LEU 550 -4.242 -4.509 -0.485 623 HD11 LEU 550 HD11 LEU 550 -2.835 -2.670 -0.943 624 HD12 LEU 550 HD12 LEU 550 -3.337 -2.590 -2.628 625 HD13 LEU 550 HD13 LEU 550 -2.311 -3.912 -2.072 626 HD21 LEU 550 HD21 LEU 550 -5.958 -3.066 -2.486 627 HD22 LEU 550 HD22 LEU 550 -5.320 -2.192 -1.099 628 HD23 LEU 550 HD23 LEU 550 -6.358 -3.591 -0.850 629 H ASP 551 H ASP 551 -6.334 -5.969 -4.721 630 HA ASP 551 HA ASP 551 -6.485 -8.896 -4.915 631 HB2 ASP 551 HB3 ASP 551 -7.147 -6.922 -7.095 632 HB3 ASP 551 HB2 ASP 551 -7.698 -8.587 -6.921 633 H LYS 552 H LYS 552 -5.612 -9.824 -7.005 634 HA LYS 552 HA LYS 552 -2.854 -9.592 -7.118 635 HB2 LYS 552 HB3 LYS 552 -4.456 -10.342 -9.552 636 HB3 LYS 552 HB2 LYS 552 -2.925 -11.008 -8.987 637 HG2 LYS 552 HG3 LYS 552 -4.214 -12.683 -8.147 638 HG3 LYS 552 HG2 LYS 552 -4.560 -11.540 -6.851 639 HD2 LYS 552 HD3 LYS 552 -6.460 -10.679 -8.384 640 HD3 LYS 552 HD2 LYS 552 -6.230 -12.181 -9.280 641 HE2 LYS 552 HE3 LYS 552 -6.328 -13.197 -6.794 642 HE3 LYS 552 HE2 LYS 552 -7.311 -11.755 -6.536 643 HZ1 LYS 552 HZ1 LYS 552 -8.387 -13.949 -7.388 644 HZ2 LYS 552 HZ2 LYS 552 -7.815 -13.423 -8.898 645 HZ3 LYS 552 HZ3 LYS 552 -8.892 -12.455 -8.011 646 H THR 553 H THR 553 -5.318 -7.934 -9.040 647 HA THR 553 HA THR 553 -3.705 -6.680 -10.926 648 HB THR 553 HB THR 553 -6.072 -5.362 -9.593 649 HG1 THR 553 HG1 THR 553 -7.283 -6.536 -11.162 650 HG21 THR 553 HG21 THR 553 -5.120 -5.335 -12.468 651 HG22 THR 553 HG22 THR 553 -4.691 -4.100 -11.284 652 HG23 THR 553 HG23 THR 553 -6.376 -4.326 -11.751 653 H THR 554 H THR 554 -4.777 -5.347 -7.782 654 HA THR 554 HA THR 554 -3.295 -2.987 -7.861 655 HB THR 554 HB THR 554 -3.287 -3.768 -5.185 656 HG1 THR 554 HG1 THR 554 -5.829 -4.395 -5.891 657 HG21 THR 554 HG21 THR 554 -5.412 -2.340 -6.805 658 HG22 THR 554 HG22 THR 554 -3.987 -1.595 -6.079 659 HG23 THR 554 HG23 THR 554 -5.250 -2.269 -5.050 660 H VAL 555 H VAL 555 -2.407 -5.979 -6.114 661 HA VAL 555 HA VAL 555 0.134 -5.289 -5.313 662 HB VAL 555 HB VAL 555 -0.773 -7.998 -6.322 663 HG11 VAL 555 HG11 VAL 555 1.355 -8.623 -5.917 664 HG12 VAL 555 HG12 VAL 555 1.080 -8.236 -4.217 665 HG13 VAL 555 HG13 VAL 555 1.760 -7.022 -5.299 666 HG21 VAL 555 HG21 VAL 555 -2.088 -8.014 -4.493 667 HG22 VAL 555 HG22 VAL 555 -1.514 -6.413 -4.030 668 HG23 VAL 555 HG23 VAL 555 -0.641 -7.851 -3.490 669 H ARG 556 H ARG 556 -0.896 -6.499 -8.477 670 HA ARG 556 HA ARG 556 1.693 -6.794 -9.586 671 HB2 ARG 556 HB3 ARG 556 -1.088 -6.580 -10.657 672 HB3 ARG 556 HB2 ARG 556 0.247 -6.378 -11.785 673 HG2 ARG 556 HG3 ARG 556 -0.028 -8.728 -9.883 674 HG3 ARG 556 HG2 ARG 556 -0.567 -8.758 -11.561 675 HD2 ARG 556 HD3 ARG 556 2.032 -7.822 -11.776 676 HD3 ARG 556 HD2 ARG 556 2.145 -8.983 -10.461 677 HE ARG 556 HE ARG 556 1.785 -10.674 -12.002 678 HH11 ARG 556 HH21 ARG 556 0.830 -7.605 -13.286 679 HH12 ARG 556 HH22 ARG 556 0.542 -8.210 -14.884 680 HH21 ARG 556 HH11 ARG 556 1.414 -11.472 -14.089 681 HH22 ARG 556 HH12 ARG 556 0.874 -10.400 -15.338 682 H LYS 557 H LYS 557 -0.625 -4.107 -9.656 683 HA LYS 557 HA LYS 557 0.894 -2.407 -11.321 684 HB2 LYS 557 HB3 LYS 557 -1.158 -1.790 -9.184 685 HB3 LYS 557 HB2 LYS 557 -0.500 -0.589 -10.291 686 HG2 LYS 557 HG3 LYS 557 -1.296 -2.758 -11.919 687 HG3 LYS 557 HG2 LYS 557 -2.595 -2.544 -10.751 688 HD2 LYS 557 HD3 LYS 557 -3.109 -1.109 -12.597 689 HD3 LYS 557 HD2 LYS 557 -2.526 -0.060 -11.306 690 HE2 LYS 557 HE3 LYS 557 -0.190 -0.739 -12.604 691 HE3 LYS 557 HE2 LYS 557 -1.340 -0.630 -13.934 692 HZ1 LYS 557 HZ1 LYS 557 -0.820 1.543 -13.779 693 HZ2 LYS 557 HZ2 LYS 557 -0.362 1.445 -12.145 694 HZ3 LYS 557 HZ3 LYS 557 -2.005 1.532 -12.567 695 H LEU 558 H LEU 558 0.905 -2.953 -7.839 696 HA LEU 558 HA LEU 558 2.550 -0.770 -7.121 697 HB2 LEU 558 HB3 LEU 558 2.176 -3.474 -5.821 698 HB3 LEU 558 HB2 LEU 558 3.028 -2.124 -5.073 699 HG LEU 558 HG LEU 558 0.151 -2.023 -6.037 700 HD11 LEU 558 HD11 LEU 558 1.231 -3.226 -3.700 701 HD12 LEU 558 HD12 LEU 558 -0.467 -2.939 -4.081 702 HD13 LEU 558 HD13 LEU 558 0.454 -1.724 -3.195 703 HD21 LEU 558 HD21 LEU 558 0.633 0.210 -5.956 704 HD22 LEU 558 HD22 LEU 558 2.056 -0.028 -4.943 705 HD23 LEU 558 HD23 LEU 558 0.453 -0.012 -4.215 706 H GLN 559 H GLN 559 3.304 -4.113 -8.028 707 HA GLN 559 HA GLN 559 6.073 -4.003 -7.576 708 HB2 GLN 559 HB3 GLN 559 4.306 -5.676 -9.326 709 HB3 GLN 559 HB2 GLN 559 6.059 -5.814 -9.454 710 HG2 GLN 559 HG3 GLN 559 6.284 -6.499 -7.196 711 HG3 GLN 559 HG2 GLN 559 4.657 -5.962 -6.786 712 HE21 GLN 559 HE21 GLN 559 2.830 -7.217 -7.903 713 HE22 GLN 559 HE22 GLN 559 3.086 -8.864 -8.221 714 H SER 560 H SER 560 4.123 -3.157 -10.399 715 HA SER 560 HA SER 560 6.329 -2.614 -12.125 716 HB2 SER 560 HB3 SER 560 4.064 -1.063 -12.883 717 HB3 SER 560 HB2 SER 560 4.666 -2.545 -13.617 718 HG SER 560 HG SER 560 3.139 -2.576 -11.242 719 H TYR 561 H TYR 561 4.509 -0.726 -9.798 720 HA TYR 561 HA TYR 561 5.322 1.852 -10.582 721 HB2 TYR 561 HB3 TYR 561 4.167 0.612 -8.164 722 HB3 TYR 561 HB2 TYR 561 5.085 2.088 -7.878 723 HD1 TYR 561 HD2 TYR 561 4.628 3.994 -9.736 724 HD2 TYR 561 HD1 TYR 561 1.898 0.864 -8.648 725 HE1 TYR 561 HE2 TYR 561 2.737 5.341 -10.605 726 HE2 TYR 561 HE1 TYR 561 0.008 2.210 -9.515 727 HH TYR 561 HH TYR 561 -0.511 4.008 -10.837 728 H LEU 562 H LEU 562 6.723 -0.356 -8.154 729 HA LEU 562 HA LEU 562 8.896 1.311 -7.460 730 HB2 LEU 562 HB3 LEU 562 8.567 -1.694 -7.312 731 HB3 LEU 562 HB2 LEU 562 9.916 -0.812 -6.596 732 HG LEU 562 HG LEU 562 7.268 0.290 -5.925 733 HD11 LEU 562 HD11 LEU 562 8.067 -2.524 -5.173 734 HD12 LEU 562 HD12 LEU 562 6.520 -1.958 -5.803 735 HD13 LEU 562 HD13 LEU 562 6.996 -1.564 -4.152 736 HD21 LEU 562 HD21 LEU 562 9.516 -0.655 -4.130 737 HD22 LEU 562 HD22 LEU 562 8.299 0.572 -3.782 738 HD23 LEU 562 HD23 LEU 562 9.563 0.896 -4.969 739 H GLU 563 H GLU 563 8.561 -1.279 -9.862 740 HA GLU 563 HA GLU 563 11.282 -1.201 -10.706 741 HB2 GLU 563 HB3 GLU 563 8.781 -2.307 -11.990 742 HB3 GLU 563 HB2 GLU 563 10.387 -2.468 -12.702 743 HG2 GLU 563 HG3 GLU 563 10.072 -3.230 -9.838 744 HG3 GLU 563 HG2 GLU 563 9.396 -4.320 -11.046 745 H THR 564 H THR 564 8.334 0.430 -11.710 746 HA THR 564 HA THR 564 7.940 1.882 -13.500 747 HB THR 564 HB THR 564 8.550 3.334 -11.664 748 HG1 THR 564 HG1 THR 564 9.658 4.996 -12.959 749 HG21 THR 564 HG21 THR 564 10.649 2.401 -10.960 750 HG22 THR 564 HG22 THR 564 10.968 4.061 -11.455 751 HG23 THR 564 HG23 THR 564 11.389 2.730 -12.527 752 H SER 565 H SER 565 9.430 -0.266 -14.475 753 HA SER 565 HA SER 565 11.547 0.951 -16.111 754 HB2 SER 565 HB3 SER 565 12.115 -1.131 -14.942 755 HB3 SER 565 HB2 SER 565 10.769 -1.950 -15.729 756 HG SER 565 HG SER 565 12.536 -0.591 -17.380 757 H GLY 566 H GLY 566 10.303 2.094 -17.603 758 HA2 GLY 566 HA3 GLY 566 8.434 0.537 -19.266 759 HA3 GLY 566 HA2 GLY 566 8.523 2.295 -19.192 760 H THR 567 H THR 567 9.910 3.387 -20.529 761 HA THR 567 HA THR 567 11.095 1.823 -22.691 762 HB THR 567 HB THR 567 10.604 4.776 -22.287 763 HG1 THR 567 HG1 THR 567 9.748 3.036 -24.341 764 HG21 THR 567 HG21 THR 567 12.353 3.333 -24.233 765 HG22 THR 567 HG22 THR 567 12.555 4.931 -23.515 766 HG23 THR 567 HG23 THR 567 11.400 4.694 -24.827 767 H SER 568 H SER 568 13.240 1.584 -23.039 768 HA SER 568 HA SER 568 15.160 3.230 -21.583 769 HB2 SER 568 HB3 SER 568 15.749 0.357 -21.348 770 HB3 SER 568 HB2 SER 568 15.948 1.651 -20.170 771 HG SER 568 HG SER 568 13.341 1.017 -20.836 Start of MODEL 2 1 H1 THR 326 H1 THR 326 -1.853 -25.327 17.763 2 H2 THR 326 H2 THR 326 -2.651 -24.695 16.405 3 H3 THR 326 H3 THR 326 -3.027 -24.120 17.958 4 HA THR 326 HA THR 326 -0.359 -23.697 17.813 5 HB THR 326 HB THR 326 -1.369 -22.548 15.255 6 HG1 THR 326 HG1 THR 326 -1.131 -24.392 14.159 7 HG21 THR 326 HG21 THR 326 0.981 -22.834 14.630 8 HG22 THR 326 HG22 THR 326 1.282 -23.740 16.114 9 HG23 THR 326 HG23 THR 326 0.868 -22.028 16.196 10 H GLN 327 H GLN 327 -0.039 -21.667 18.612 11 HA GLN 327 HA GLN 327 -2.433 -19.961 18.865 12 HB2 GLN 327 HB3 GLN 327 0.117 -19.793 20.477 13 HB3 GLN 327 HB2 GLN 327 -1.442 -19.051 20.842 14 HG2 GLN 327 HG3 GLN 327 -1.542 -20.925 22.205 15 HG3 GLN 327 HG2 GLN 327 -2.297 -21.552 20.741 16 HE21 GLN 327 HE21 GLN 327 -1.571 -23.711 20.688 17 HE22 GLN 327 HE22 GLN 327 0.064 -24.161 20.739 18 H GLY 328 H GLY 328 -1.156 -17.594 19.575 19 HA2 GLY 328 HA3 GLY 328 0.224 -15.868 18.753 20 HA3 GLY 328 HA2 GLY 328 0.627 -16.877 17.368 21 H GLY 329 H GLY 329 -1.798 -17.562 16.356 22 HA2 GLY 329 HA3 GLY 329 -3.898 -16.620 15.624 23 HA3 GLY 329 HA2 GLY 329 -3.213 -15.015 15.861 24 H ARG 330 H ARG 330 -3.899 -14.553 13.675 25 HA ARG 330 HA ARG 330 -2.293 -15.875 11.590 26 HB2 ARG 330 HB3 ARG 330 -4.962 -14.591 11.657 27 HB3 ARG 330 HB2 ARG 330 -4.010 -14.324 10.196 28 HG2 ARG 330 HG3 ARG 330 -3.765 -16.698 9.834 29 HG3 ARG 330 HG2 ARG 330 -4.471 -17.060 11.409 30 HD2 ARG 330 HD3 ARG 330 -5.892 -15.743 9.080 31 HD3 ARG 330 HD2 ARG 330 -6.135 -17.394 9.643 32 HE ARG 330 HE ARG 330 -6.598 -15.778 11.844 33 HH11 ARG 330 HH21 ARG 330 -7.822 -16.149 8.630 34 HH12 ARG 330 HH22 ARG 330 -9.425 -15.630 9.033 35 HH21 ARG 330 HH11 ARG 330 -8.695 -15.095 12.380 36 HH22 ARG 330 HH12 ARG 330 -9.920 -15.031 11.157 37 HA PRO 331 HA PRO 331 0.218 -12.294 11.002 38 HB2 PRO 331 HB3 PRO 331 0.529 -12.290 8.270 39 HB3 PRO 331 HB2 PRO 331 1.371 -13.412 9.355 40 HG2 PRO 331 HG3 PRO 331 -1.055 -13.853 7.689 41 HG3 PRO 331 HG2 PRO 331 0.311 -14.936 8.006 42 HD2 PRO 331 HD3 PRO 331 -2.081 -15.200 9.262 43 HD3 PRO 331 HD2 PRO 331 -0.545 -15.640 10.038 44 H SER 332 H SER 332 0.144 -10.099 10.404 45 HA SER 332 HA SER 332 -2.267 -9.184 8.971 46 HB2 SER 332 HB3 SER 332 -2.985 -7.844 10.671 47 HB3 SER 332 HB2 SER 332 -2.152 -9.037 11.665 48 HG SER 332 HG SER 332 -1.662 -6.503 11.586 49 H LEU 333 H LEU 333 -2.018 -7.300 7.786 50 HA LEU 333 HA LEU 333 0.500 -5.837 7.904 51 HB2 LEU 333 HB3 LEU 333 0.601 -7.931 6.286 52 HB3 LEU 333 HB2 LEU 333 -0.288 -6.859 5.211 53 HG LEU 333 HG LEU 333 1.545 -5.103 5.869 54 HD11 LEU 333 HD11 LEU 333 3.431 -7.363 5.997 55 HD12 LEU 333 HD12 LEU 333 2.439 -7.162 7.445 56 HD13 LEU 333 HD13 LEU 333 3.443 -5.830 6.873 57 HD21 LEU 333 HD21 LEU 333 3.099 -6.446 4.116 58 HD22 LEU 333 HD22 LEU 333 1.637 -5.591 3.636 59 HD23 LEU 333 HD23 LEU 333 1.588 -7.331 3.901 60 H ILE 334 H ILE 334 -0.527 -3.935 8.301 61 HA ILE 334 HA ILE 334 -2.280 -2.909 6.162 62 HB ILE 334 HB ILE 334 -2.721 -2.527 9.130 63 HG12 ILE 334 HG13 ILE 334 -4.990 -3.651 8.033 64 HG13 ILE 334 HG12 ILE 334 -3.703 -4.475 7.153 65 HG21 ILE 334 HG21 ILE 334 -4.117 -1.465 6.660 66 HG22 ILE 334 HG22 ILE 334 -3.405 -0.537 7.980 67 HG23 ILE 334 HG23 ILE 334 -4.874 -1.473 8.252 68 HD11 ILE 334 HD11 ILE 334 -2.600 -4.897 9.411 69 HD12 ILE 334 HD12 ILE 334 -4.100 -5.779 9.121 70 HD13 ILE 334 HD13 ILE 334 -4.104 -4.345 10.149 71 H ALA 335 H ALA 335 -1.994 -0.792 5.608 72 HA ALA 335 HA ALA 335 0.149 0.669 7.039 73 HB1 ALA 335 HB1 ALA 335 -0.221 1.592 4.336 74 HB2 ALA 335 HB2 ALA 335 0.069 -0.147 4.345 75 HB3 ALA 335 HB3 ALA 335 1.229 0.942 5.098 76 H ARG 336 H ARG 336 -0.346 2.623 7.798 77 HA ARG 336 HA ARG 336 -2.965 3.773 7.068 78 HB2 ARG 336 HB3 ARG 336 -1.377 4.681 9.443 79 HB3 ARG 336 HB2 ARG 336 -3.127 4.642 9.213 80 HG2 ARG 336 HG3 ARG 336 -2.961 2.109 9.198 81 HG3 ARG 336 HG2 ARG 336 -1.284 2.292 9.716 82 HD2 ARG 336 HD3 ARG 336 -1.957 3.418 11.737 83 HD3 ARG 336 HD2 ARG 336 -3.629 3.516 11.193 84 HE ARG 336 HE ARG 336 -3.235 0.860 11.201 85 HH11 ARG 336 HH21 ARG 336 -2.434 3.345 13.474 86 HH12 ARG 336 HH22 ARG 336 -2.573 2.315 14.859 87 HH21 ARG 336 HH11 ARG 336 -3.423 -0.496 13.014 88 HH22 ARG 336 HH12 ARG 336 -3.133 0.141 14.598 89 H ILE 337 H ILE 337 -2.977 5.539 5.848 90 HA ILE 337 HA ILE 337 -0.591 7.274 5.860 91 HB ILE 337 HB ILE 337 -2.319 6.774 3.441 92 HG12 ILE 337 HG13 ILE 337 0.365 5.536 4.135 93 HG13 ILE 337 HG12 ILE 337 -1.170 4.678 4.235 94 HG21 ILE 337 HG21 ILE 337 -1.056 8.868 3.411 95 HG22 ILE 337 HG22 ILE 337 -0.274 7.728 2.316 96 HG23 ILE 337 HG23 ILE 337 0.411 8.029 3.911 97 HD11 ILE 337 HD11 ILE 337 -1.558 5.066 1.842 98 HD12 ILE 337 HD12 ILE 337 -0.035 4.213 2.101 99 HD13 ILE 337 HD13 ILE 337 -0.029 5.938 1.731 100 HA PRO 338 HA PRO 338 -4.163 9.785 7.412 101 HB2 PRO 338 HB3 PRO 338 -1.835 11.639 7.710 102 HB3 PRO 338 HB2 PRO 338 -3.150 11.289 8.849 103 HG2 PRO 338 HG3 PRO 338 -0.707 10.275 9.172 104 HG3 PRO 338 HG2 PRO 338 -2.162 9.364 9.607 105 HD2 PRO 338 HD3 PRO 338 -0.312 8.979 7.324 106 HD3 PRO 338 HD2 PRO 338 -1.342 7.792 8.153 107 H VAL 339 H VAL 339 -5.420 10.801 5.985 108 HA VAL 339 HA VAL 339 -4.868 11.523 3.415 109 HB VAL 339 HB VAL 339 -6.673 13.375 3.817 110 HG11 VAL 339 HG11 VAL 339 -7.100 10.409 4.253 111 HG12 VAL 339 HG12 VAL 339 -7.219 11.297 2.735 112 HG13 VAL 339 HG13 VAL 339 -8.420 11.552 4.000 113 HG21 VAL 339 HG21 VAL 339 -7.895 13.186 5.874 114 HG22 VAL 339 HG22 VAL 339 -6.198 13.358 6.317 115 HG23 VAL 339 HG23 VAL 339 -6.966 11.772 6.370 116 H ALA 340 H ALA 340 -4.258 13.448 6.312 117 HA ALA 340 HA ALA 340 -3.654 15.916 5.223 118 HB1 ALA 340 HB1 ALA 340 -1.694 15.426 7.203 119 HB2 ALA 340 HB2 ALA 340 -3.139 14.537 7.690 120 HB3 ALA 340 HB3 ALA 340 -3.229 16.273 7.393 121 H ARG 341 H ARG 341 -2.129 12.981 4.569 122 HA ARG 341 HA ARG 341 0.415 14.233 3.815 123 HB2 ARG 341 HB3 ARG 341 0.555 12.130 5.057 124 HB3 ARG 341 HB2 ARG 341 -0.434 11.328 3.836 125 HG2 ARG 341 HG3 ARG 341 1.253 11.434 2.211 126 HG3 ARG 341 HG2 ARG 341 2.092 12.749 3.032 127 HD2 ARG 341 HD3 ARG 341 1.813 10.024 4.297 128 HD3 ARG 341 HD2 ARG 341 3.139 10.400 3.200 129 HE ARG 341 HE ARG 341 3.126 12.439 5.070 130 HH11 ARG 341 HH21 ARG 341 3.374 8.988 5.049 131 HH12 ARG 341 HH22 ARG 341 4.371 8.914 6.464 132 HH21 ARG 341 HH11 ARG 341 4.433 12.350 6.926 133 HH22 ARG 341 HH12 ARG 341 4.971 10.817 7.526 134 H ILE 342 H ILE 342 -1.999 12.044 2.367 135 HA ILE 342 HA ILE 342 -1.024 12.477 -0.295 136 HB ILE 342 HB ILE 342 -3.673 11.301 0.568 137 HG12 ILE 342 HG13 ILE 342 -1.534 9.456 -0.217 138 HG13 ILE 342 HG12 ILE 342 -1.155 10.347 1.254 139 HG21 ILE 342 HG21 ILE 342 -2.014 11.108 -1.958 140 HG22 ILE 342 HG22 ILE 342 -3.623 11.813 -1.793 141 HG23 ILE 342 HG23 ILE 342 -3.400 10.072 -1.613 142 HD11 ILE 342 HD11 ILE 342 -3.821 8.987 0.848 143 HD12 ILE 342 HD12 ILE 342 -3.116 9.572 2.355 144 HD13 ILE 342 HD13 ILE 342 -2.439 8.154 1.555 145 H LEU 343 H LEU 343 -4.068 13.364 1.345 146 HA LEU 343 HA LEU 343 -4.960 15.044 -0.773 147 HB2 LEU 343 HB3 LEU 343 -5.779 14.658 2.095 148 HB3 LEU 343 HB2 LEU 343 -6.507 15.928 1.118 149 HG LEU 343 HG LEU 343 -7.806 13.775 1.089 150 HD11 LEU 343 HD11 LEU 343 -8.478 14.169 -1.052 151 HD12 LEU 343 HD12 LEU 343 -6.857 13.943 -1.702 152 HD13 LEU 343 HD13 LEU 343 -7.315 15.491 -0.997 153 HD21 LEU 343 HD21 LEU 343 -5.630 12.400 1.172 154 HD22 LEU 343 HD22 LEU 343 -5.526 12.679 -0.568 155 HD23 LEU 343 HD23 LEU 343 -6.903 11.807 0.106 156 H GLY 344 H GLY 344 -2.702 15.471 1.758 157 HA2 GLY 344 HA3 GLY 344 -2.925 18.374 1.802 158 HA3 GLY 344 HA2 GLY 344 -1.779 17.397 2.717 159 H ASP 345 H ASP 345 -1.999 19.594 0.288 160 HA ASP 345 HA ASP 345 0.589 18.747 -0.844 161 HB2 ASP 345 HB3 ASP 345 -1.715 19.863 -2.457 162 HB3 ASP 345 HB2 ASP 345 -0.126 19.416 -3.075 163 HA PRO 346 HA PRO 346 0.585 23.068 0.987 164 HB2 PRO 346 HB3 PRO 346 3.435 22.206 1.209 165 HB3 PRO 346 HB2 PRO 346 2.417 23.054 2.388 166 HG2 PRO 346 HG3 PRO 346 3.007 20.464 2.647 167 HG3 PRO 346 HG2 PRO 346 1.436 21.122 3.135 168 HD2 PRO 346 HD3 PRO 346 2.118 19.441 0.773 169 HD3 PRO 346 HD2 PRO 346 0.588 19.560 1.670 170 H GLU 347 H GLU 347 1.989 24.927 0.311 171 HA GLU 347 HA GLU 347 3.494 24.626 -2.154 172 HB2 GLU 347 HB3 GLU 347 2.069 26.328 -3.344 173 HB3 GLU 347 HB2 GLU 347 1.291 24.763 -3.108 174 HG2 GLU 347 HG3 GLU 347 0.185 25.665 -1.060 175 HG3 GLU 347 HG2 GLU 347 0.891 27.241 -1.409 176 H GLU 348 H GLU 348 4.357 25.431 0.342 177 HA GLU 348 HA GLU 348 5.293 27.178 1.535 178 HB2 GLU 348 HB3 GLU 348 5.930 28.255 -1.212 179 HB3 GLU 348 HB2 GLU 348 6.883 28.408 0.265 180 HG2 GLU 348 HG3 GLU 348 6.956 25.813 0.232 181 HG3 GLU 348 HG2 GLU 348 6.461 25.968 -1.453 182 H GLU 349 H GLU 349 5.648 29.873 0.221 183 HA GLU 349 HA GLU 349 3.058 31.001 -0.177 184 HB2 GLU 349 HB3 GLU 349 3.153 32.410 1.957 185 HB3 GLU 349 HB2 GLU 349 2.671 30.725 2.146 186 HG2 GLU 349 HG3 GLU 349 4.853 30.095 2.914 187 HG3 GLU 349 HG2 GLU 349 5.531 31.658 2.463 188 H1 MET 499 H1 MET 499 0.911 -24.099 3.248 189 H2 MET 499 H2 MET 499 1.200 -22.500 2.752 190 H3 MET 499 H3 MET 499 2.401 -23.685 2.553 191 HA MET 499 HA MET 499 1.560 -24.416 0.643 192 HB2 MET 499 HB3 MET 499 -1.137 -24.092 1.991 193 HB3 MET 499 HB2 MET 499 -0.922 -24.749 0.369 194 HG2 MET 499 HG3 MET 499 0.573 -25.889 2.729 195 HG3 MET 499 HG2 MET 499 -1.052 -26.436 2.323 196 HE1 MET 499 HE1 MET 499 0.979 -28.606 2.429 197 HE2 MET 499 HE2 MET 499 0.690 -29.448 0.909 198 HE3 MET 499 HE3 MET 499 -0.669 -28.782 1.812 199 H ASP 500 H ASP 500 1.051 -21.446 2.039 200 HA ASP 500 HA ASP 500 0.844 -20.150 -0.551 201 HB2 ASP 500 HB3 ASP 500 -1.543 -20.613 0.308 202 HB3 ASP 500 HB2 ASP 500 -1.198 -19.389 1.529 203 H LYS 501 H LYS 501 3.048 -19.778 0.446 204 HA LYS 501 HA LYS 501 3.016 -17.601 2.433 205 HB2 LYS 501 HB3 LYS 501 5.203 -19.459 1.493 206 HB3 LYS 501 HB2 LYS 501 5.498 -18.068 2.537 207 HG2 LYS 501 HG3 LYS 501 3.262 -19.696 3.476 208 HG3 LYS 501 HG2 LYS 501 4.765 -20.616 3.386 209 HD2 LYS 501 HD3 LYS 501 5.915 -18.868 4.701 210 HD3 LYS 501 HD2 LYS 501 4.408 -17.956 4.802 211 HE2 LYS 501 HE3 LYS 501 3.803 -20.600 5.622 212 HE3 LYS 501 HE2 LYS 501 5.294 -20.147 6.448 213 HZ1 LYS 501 HZ1 LYS 501 3.943 -19.098 7.858 214 HZ2 LYS 501 HZ2 LYS 501 2.622 -19.131 6.789 215 HZ3 LYS 501 HZ3 LYS 501 3.798 -17.913 6.653 216 H ALA 502 H ALA 502 4.264 -18.478 -0.769 217 HA ALA 502 HA ALA 502 5.826 -16.369 -1.459 218 HB1 ALA 502 HB1 ALA 502 5.292 -18.176 -3.016 219 HB2 ALA 502 HB2 ALA 502 4.982 -16.612 -3.771 220 HB3 ALA 502 HB3 ALA 502 3.639 -17.582 -3.164 221 H TYR 503 H TYR 503 2.279 -16.359 -1.918 222 HA TYR 503 HA TYR 503 1.923 -13.764 -2.746 223 HB2 TYR 503 HB3 TYR 503 0.232 -15.759 -2.133 224 HB3 TYR 503 HB2 TYR 503 -0.007 -14.743 -0.712 225 HD1 TYR 503 HD2 TYR 503 -0.094 -12.099 -1.340 226 HD2 TYR 503 HD1 TYR 503 -1.182 -15.341 -3.942 227 HE1 TYR 503 HE2 TYR 503 -1.511 -10.559 -2.669 228 HE2 TYR 503 HE1 TYR 503 -2.598 -13.799 -5.270 229 HH TYR 503 HH TYR 503 -2.589 -10.332 -4.685 230 H LEU 504 H LEU 504 1.686 -14.831 0.659 231 HA LEU 504 HA LEU 504 1.536 -12.278 1.791 232 HB2 LEU 504 HB3 LEU 504 1.991 -15.004 2.721 233 HB3 LEU 504 HB2 LEU 504 2.872 -13.814 3.680 234 HG LEU 504 HG LEU 504 -0.062 -13.542 2.979 235 HD11 LEU 504 HD11 LEU 504 -0.217 -14.120 5.538 236 HD12 LEU 504 HD12 LEU 504 1.324 -14.926 5.255 237 HD13 LEU 504 HD13 LEU 504 -0.111 -15.422 4.356 238 HD21 LEU 504 HD21 LEU 504 1.848 -11.752 4.055 239 HD22 LEU 504 HD22 LEU 504 0.841 -12.261 5.410 240 HD23 LEU 504 HD23 LEU 504 0.100 -11.531 3.987 241 H ASP 505 H ASP 505 4.378 -14.350 1.264 242 HA ASP 505 HA ASP 505 6.343 -12.737 2.363 243 HB2 ASP 505 HB3 ASP 505 6.229 -14.962 0.504 244 HB3 ASP 505 HB2 ASP 505 7.503 -13.825 0.065 245 H GLU 506 H GLU 506 5.040 -12.701 -0.947 246 HA GLU 506 HA GLU 506 6.676 -10.665 -1.973 247 HB2 GLU 506 HB3 GLU 506 3.881 -11.566 -2.678 248 HB3 GLU 506 HB2 GLU 506 4.720 -10.296 -3.571 249 HG2 GLU 506 HG3 GLU 506 6.332 -12.720 -3.109 250 HG3 GLU 506 HG2 GLU 506 4.918 -12.975 -4.130 251 H LEU 507 H LEU 507 3.419 -10.457 -0.537 252 HA LEU 507 HA LEU 507 3.059 -7.706 -0.723 253 HB2 LEU 507 HB3 LEU 507 2.008 -9.860 1.029 254 HB3 LEU 507 HB2 LEU 507 1.779 -8.204 1.586 255 HG LEU 507 HG LEU 507 1.054 -9.133 -1.213 256 HD11 LEU 507 HD11 LEU 507 -0.604 -9.001 1.313 257 HD12 LEU 507 HD12 LEU 507 -0.362 -10.386 0.248 258 HD13 LEU 507 HD13 LEU 507 -1.322 -9.010 -0.297 259 HD21 LEU 507 HD21 LEU 507 0.685 -6.944 -1.570 260 HD22 LEU 507 HD22 LEU 507 1.180 -6.566 0.078 261 HD23 LEU 507 HD23 LEU 507 -0.506 -6.945 -0.270 262 H VAL 508 H VAL 508 4.626 -9.592 1.840 263 HA VAL 508 HA VAL 508 5.178 -7.410 3.553 264 HB VAL 508 HB VAL 508 6.717 -10.003 3.278 265 HG11 VAL 508 HG11 VAL 508 7.872 -8.297 4.615 266 HG12 VAL 508 HG12 VAL 508 7.252 -9.572 5.665 267 HG13 VAL 508 HG13 VAL 508 6.408 -8.027 5.560 268 HG21 VAL 508 HG21 VAL 508 4.942 -9.995 5.498 269 HG22 VAL 508 HG22 VAL 508 4.861 -11.018 4.063 270 HG23 VAL 508 HG23 VAL 508 4.007 -9.474 4.097 271 H GLU 509 H GLU 509 7.189 -9.068 1.125 272 HA GLU 509 HA GLU 509 9.513 -7.554 1.422 273 HB2 GLU 509 HB3 GLU 509 8.336 -8.858 -1.041 274 HB3 GLU 509 HB2 GLU 509 9.964 -8.183 -0.967 275 HG2 GLU 509 HG3 GLU 509 9.144 -10.104 1.172 276 HG3 GLU 509 HG2 GLU 509 9.513 -10.751 -0.426 277 H LEU 510 H LEU 510 6.670 -6.958 -0.628 278 HA LEU 510 HA LEU 510 7.631 -4.660 -1.924 279 HB2 LEU 510 HB3 LEU 510 5.633 -5.900 -2.663 280 HB3 LEU 510 HB2 LEU 510 4.778 -5.390 -1.206 281 HG LEU 510 HG LEU 510 6.007 -3.149 -2.619 282 HD11 LEU 510 HD11 LEU 510 4.472 -3.147 -4.531 283 HD12 LEU 510 HD12 LEU 510 3.817 -4.704 -4.029 284 HD13 LEU 510 HD13 LEU 510 5.488 -4.586 -4.581 285 HD21 LEU 510 HD21 LEU 510 3.115 -3.741 -1.923 286 HD22 LEU 510 HD22 LEU 510 3.829 -2.157 -2.225 287 HD23 LEU 510 HD23 LEU 510 4.280 -3.067 -0.783 288 H HIS 511 H HIS 511 5.335 -4.859 0.814 289 HA HIS 511 HA HIS 511 5.190 -2.174 1.424 290 HB2 HIS 511 HB3 HIS 511 4.277 -4.515 2.579 291 HB3 HIS 511 HB2 HIS 511 5.343 -3.851 3.816 292 HD1 HIS 511 HD1 HIS 511 3.194 -1.878 1.388 293 HD2 HIS 511 HD2 HIS 511 3.473 -2.626 5.480 294 HE1 HIS 511 HE1 HIS 511 1.542 -0.330 2.508 295 HE2 HIS 511 HE2 HIS 511 1.686 -0.783 5.006 296 H ARG 512 H ARG 512 7.676 -4.509 2.336 297 HA ARG 512 HA ARG 512 9.079 -2.948 4.201 298 HB2 ARG 512 HB3 ARG 512 9.550 -5.375 2.661 299 HB3 ARG 512 HB2 ARG 512 11.022 -4.429 2.877 300 HG2 ARG 512 HG3 ARG 512 10.684 -4.368 5.289 301 HG3 ARG 512 HG2 ARG 512 9.132 -5.192 5.121 302 HD2 ARG 512 HD3 ARG 512 10.105 -7.227 4.891 303 HD3 ARG 512 HD2 ARG 512 11.364 -6.604 3.828 304 HE ARG 512 HE ARG 512 12.739 -6.583 5.680 305 HH11 ARG 512 HH21 ARG 512 9.436 -6.202 6.640 306 HH12 ARG 512 HH22 ARG 512 9.791 -6.144 8.334 307 HH21 ARG 512 HH11 ARG 512 13.212 -6.509 7.901 308 HH22 ARG 512 HH12 ARG 512 11.928 -6.318 9.048 309 H ARG 513 H ARG 513 9.613 -3.323 0.693 310 HA ARG 513 HA ARG 513 11.739 -1.470 0.514 311 HB2 ARG 513 HB3 ARG 513 9.736 -2.365 -1.574 312 HB3 ARG 513 HB2 ARG 513 11.200 -1.440 -1.917 313 HG2 ARG 513 HG3 ARG 513 12.611 -3.219 -1.157 314 HG3 ARG 513 HG2 ARG 513 11.245 -4.090 -0.459 315 HD2 ARG 513 HD3 ARG 513 10.520 -4.868 -2.498 316 HD3 ARG 513 HD2 ARG 513 11.105 -3.450 -3.365 317 HE ARG 513 HE ARG 513 12.529 -5.889 -2.983 318 HH11 ARG 513 HH21 ARG 513 12.876 -2.447 -3.066 319 HH12 ARG 513 HH22 ARG 513 14.528 -2.488 -3.583 320 HH21 ARG 513 HH11 ARG 513 14.695 -5.950 -3.662 321 HH22 ARG 513 HH12 ARG 513 15.559 -4.471 -3.920 322 H LEU 514 H LEU 514 8.246 -1.102 0.385 323 HA LEU 514 HA LEU 514 8.129 1.530 -0.616 324 HB2 LEU 514 HB3 LEU 514 6.303 -0.388 0.371 325 HB3 LEU 514 HB2 LEU 514 6.058 1.073 1.328 326 HG LEU 514 HG LEU 514 6.132 0.973 -1.703 327 HD11 LEU 514 HD11 LEU 514 3.629 1.846 -0.845 328 HD12 LEU 514 HD12 LEU 514 4.007 0.511 0.243 329 HD13 LEU 514 HD13 LEU 514 4.003 0.253 -1.501 330 HD21 LEU 514 HD21 LEU 514 6.354 3.118 0.227 331 HD22 LEU 514 HD22 LEU 514 4.879 3.309 -0.722 332 HD23 LEU 514 HD23 LEU 514 6.442 3.202 -1.533 333 H MET 515 H MET 515 8.354 0.299 2.703 334 HA MET 515 HA MET 515 8.148 2.747 4.053 335 HB2 MET 515 HB3 MET 515 9.334 0.079 4.694 336 HB3 MET 515 HB2 MET 515 9.701 1.442 5.752 337 HG2 MET 515 HG3 MET 515 7.471 1.729 6.381 338 HG3 MET 515 HG2 MET 515 6.856 0.932 4.933 339 HE1 MET 515 HE1 MET 515 9.530 0.116 7.677 340 HE2 MET 515 HE2 MET 515 8.617 -0.983 8.708 341 HE3 MET 515 HE3 MET 515 8.074 0.682 8.506 342 H THR 516 H THR 516 10.563 1.627 1.964 343 HA THR 516 HA THR 516 12.663 3.288 3.158 344 HB THR 516 HB THR 516 13.009 1.802 0.585 345 HG1 THR 516 HG1 THR 516 12.147 0.704 2.851 346 HG21 THR 516 HG21 THR 516 14.823 2.085 2.989 347 HG22 THR 516 HG22 THR 516 14.772 3.268 1.682 348 HG23 THR 516 HG23 THR 516 15.269 1.609 1.350 349 H LEU 517 H LEU 517 10.532 3.131 0.364 350 HA LEU 517 HA LEU 517 11.710 5.063 -1.268 351 HB2 LEU 517 HB3 LEU 517 9.635 3.514 -1.650 352 HB3 LEU 517 HB2 LEU 517 8.727 4.876 -0.988 353 HG LEU 517 HG LEU 517 10.267 6.225 -2.705 354 HD11 LEU 517 HD11 LEU 517 11.436 4.159 -3.454 355 HD12 LEU 517 HD12 LEU 517 10.574 4.949 -4.774 356 HD13 LEU 517 HD13 LEU 517 9.892 3.512 -4.011 357 HD21 LEU 517 HD21 LEU 517 8.354 5.776 -4.415 358 HD22 LEU 517 HD22 LEU 517 7.926 6.473 -2.852 359 HD23 LEU 517 HD23 LEU 517 7.674 4.753 -3.151 360 H ARG 518 H ARG 518 11.510 7.281 -1.431 361 HA ARG 518 HA ARG 518 10.229 8.664 0.851 362 HB2 ARG 518 HB3 ARG 518 12.100 10.384 0.519 363 HB3 ARG 518 HB2 ARG 518 12.547 8.858 1.279 364 HG2 ARG 518 HG3 ARG 518 12.702 8.805 -1.658 365 HG3 ARG 518 HG2 ARG 518 13.814 9.950 -0.908 366 HD2 ARG 518 HD3 ARG 518 14.673 8.173 0.559 367 HD3 ARG 518 HD2 ARG 518 13.547 7.025 -0.155 368 HE ARG 518 HE ARG 518 15.984 8.061 -1.377 369 HH11 ARG 518 HH21 ARG 518 12.964 6.405 -1.739 370 HH12 ARG 518 HH22 ARG 518 13.420 5.610 -3.208 371 HH21 ARG 518 HH11 ARG 518 16.584 7.024 -3.304 372 HH22 ARG 518 HH12 ARG 518 15.467 5.962 -4.094 373 H GLU 519 H GLU 519 9.497 8.051 -2.067 374 HA GLU 519 HA GLU 519 9.228 10.800 -3.079 375 HB2 GLU 519 HB3 GLU 519 9.994 8.614 -4.426 376 HB3 GLU 519 HB2 GLU 519 8.251 8.473 -4.652 377 HG2 GLU 519 HG3 GLU 519 8.918 9.802 -6.474 378 HG3 GLU 519 HG2 GLU 519 8.350 10.986 -5.299 379 H ARG 520 H ARG 520 7.520 11.722 -2.055 380 HA ARG 520 HA ARG 520 5.161 10.374 -1.267 381 HB2 ARG 520 HB3 ARG 520 6.138 13.136 -1.344 382 HB3 ARG 520 HB2 ARG 520 4.398 13.004 -1.603 383 HG2 ARG 520 HG3 ARG 520 4.971 13.204 0.810 384 HG3 ARG 520 HG2 ARG 520 4.165 11.677 0.442 385 HD2 ARG 520 HD3 ARG 520 5.992 10.450 0.982 386 HD3 ARG 520 HD2 ARG 520 7.086 11.557 0.157 387 HE ARG 520 HE ARG 520 6.402 11.585 2.965 388 HH11 ARG 520 HH21 ARG 520 7.468 13.414 0.228 389 HH12 ARG 520 HH22 ARG 520 8.273 14.621 1.175 390 HH21 ARG 520 HH11 ARG 520 7.456 13.163 4.212 391 HH22 ARG 520 HH12 ARG 520 8.267 14.479 3.431 392 H HIS 521 H HIS 521 6.121 11.977 -4.238 393 HA HIS 521 HA HIS 521 3.644 12.297 -5.477 394 HB2 HIS 521 HB3 HIS 521 6.149 12.847 -6.229 395 HB3 HIS 521 HB2 HIS 521 5.929 11.351 -7.137 396 HD1 HIS 521 HD1 HIS 521 3.443 14.157 -6.421 397 HD2 HIS 521 HD2 HIS 521 5.186 12.200 -9.662 398 HE1 HIS 521 HE1 HIS 521 2.348 15.100 -8.500 399 HE2 HIS 521 HE2 HIS 521 3.399 13.917 -10.485 400 H ILE 522 H ILE 522 5.736 9.450 -5.261 401 HA ILE 522 HA ILE 522 4.217 7.808 -7.008 402 HB ILE 522 HB ILE 522 6.221 7.246 -4.833 403 HG12 ILE 522 HG13 ILE 522 6.658 8.123 -7.297 404 HG13 ILE 522 HG12 ILE 522 7.705 6.897 -6.586 405 HG21 ILE 522 HG21 ILE 522 6.108 4.842 -5.804 406 HG22 ILE 522 HG22 ILE 522 4.503 5.304 -6.376 407 HG23 ILE 522 HG23 ILE 522 4.867 5.324 -4.650 408 HD11 ILE 522 HD11 ILE 522 6.701 5.151 -7.814 409 HD12 ILE 522 HD12 ILE 522 6.789 6.471 -8.977 410 HD13 ILE 522 HD13 ILE 522 5.263 6.106 -8.175 411 H LEU 523 H LEU 523 4.001 8.550 -3.591 412 HA LEU 523 HA LEU 523 2.231 6.475 -2.841 413 HB2 LEU 523 HB3 LEU 523 3.334 8.867 -1.648 414 HB3 LEU 523 HB2 LEU 523 1.626 8.693 -1.243 415 HG LEU 523 HG LEU 523 2.031 6.379 -0.496 416 HD11 LEU 523 HD11 LEU 523 4.759 6.145 -0.194 417 HD12 LEU 523 HD12 LEU 523 4.629 6.916 -1.774 418 HD13 LEU 523 HD13 LEU 523 3.820 5.377 -1.475 419 HD21 LEU 523 HD21 LEU 523 2.392 7.340 1.509 420 HD22 LEU 523 HD22 LEU 523 3.052 8.774 0.723 421 HD23 LEU 523 HD23 LEU 523 4.114 7.427 1.134 422 H GLN 524 H GLN 524 1.686 9.758 -4.052 423 HA GLN 524 HA GLN 524 -1.081 9.907 -3.738 424 HB2 GLN 524 HB3 GLN 524 0.789 11.100 -5.778 425 HB3 GLN 524 HB2 GLN 524 -0.942 11.440 -5.788 426 HG2 GLN 524 HG3 GLN 524 -0.853 12.685 -3.866 427 HG3 GLN 524 HG2 GLN 524 0.435 11.702 -3.167 428 HE21 GLN 524 HE21 GLN 524 1.568 13.781 -2.648 429 HE22 GLN 524 HE22 GLN 524 2.417 14.595 -3.870 430 H GLN 525 H GLN 525 0.770 8.753 -6.562 431 HA GLN 525 HA GLN 525 -1.427 8.037 -8.156 432 HB2 GLN 525 HB3 GLN 525 1.383 7.851 -8.312 433 HB3 GLN 525 HB2 GLN 525 0.769 6.214 -8.546 434 HG2 GLN 525 HG3 GLN 525 0.847 7.302 -10.708 435 HG3 GLN 525 HG2 GLN 525 -0.844 7.131 -10.239 436 HE21 GLN 525 HE21 GLN 525 -1.707 8.989 -11.285 437 HE22 GLN 525 HE22 GLN 525 -1.218 10.572 -10.919 438 H ILE 526 H ILE 526 0.448 6.120 -5.814 439 HA ILE 526 HA ILE 526 -0.792 3.652 -6.202 440 HB ILE 526 HB ILE 526 0.489 4.947 -3.812 441 HG12 ILE 526 HG13 ILE 526 1.242 2.453 -5.347 442 HG13 ILE 526 HG12 ILE 526 1.764 4.059 -5.853 443 HG21 ILE 526 HG21 ILE 526 -0.991 2.327 -3.984 444 HG22 ILE 526 HG22 ILE 526 -1.064 3.552 -2.719 445 HG23 ILE 526 HG23 ILE 526 0.362 2.528 -2.871 446 HD11 ILE 526 HD11 ILE 526 3.435 2.882 -4.399 447 HD12 ILE 526 HD12 ILE 526 2.247 2.910 -3.093 448 HD13 ILE 526 HD13 ILE 526 2.883 4.422 -3.739 449 H VAL 527 H VAL 527 -1.620 6.189 -3.834 450 HA VAL 527 HA VAL 527 -3.759 5.101 -2.554 451 HB VAL 527 HB VAL 527 -3.716 7.925 -3.646 452 HG11 VAL 527 HG11 VAL 527 -5.876 7.259 -2.694 453 HG12 VAL 527 HG12 VAL 527 -5.061 8.383 -1.605 454 HG13 VAL 527 HG13 VAL 527 -5.071 6.657 -1.247 455 HG21 VAL 527 HG21 VAL 527 -1.905 6.609 -1.883 456 HG22 VAL 527 HG22 VAL 527 -2.899 7.687 -0.904 457 HG23 VAL 527 HG23 VAL 527 -1.981 8.327 -2.267 458 H ASN 528 H ASN 528 -3.810 6.562 -5.791 459 HA ASN 528 HA ASN 528 -6.594 6.291 -6.225 460 HB2 ASN 528 HB3 ASN 528 -4.815 7.641 -7.559 461 HB3 ASN 528 HB2 ASN 528 -4.563 6.134 -8.437 462 HD21 ASN 528 HD21 ASN 528 -6.583 5.159 -9.462 463 HD22 ASN 528 HD22 ASN 528 -7.801 6.217 -9.988 464 H LEU 529 H LEU 529 -3.837 4.184 -6.951 465 HA LEU 529 HA LEU 529 -5.204 2.211 -8.391 466 HB2 LEU 529 HB3 LEU 529 -2.628 2.522 -7.186 467 HB3 LEU 529 HB2 LEU 529 -3.255 0.937 -6.744 468 HG LEU 529 HG LEU 529 -1.987 0.861 -8.867 469 HD11 LEU 529 HD11 LEU 529 -3.388 -0.779 -9.518 470 HD12 LEU 529 HD12 LEU 529 -4.605 0.396 -10.019 471 HD13 LEU 529 HD13 LEU 529 -4.556 -0.166 -8.349 472 HD21 LEU 529 HD21 LEU 529 -2.289 2.377 -10.526 473 HD22 LEU 529 HD22 LEU 529 -3.222 3.307 -9.351 474 HD23 LEU 529 HD23 LEU 529 -4.044 2.207 -10.459 475 H ILE 530 H ILE 530 -4.927 2.719 -4.925 476 HA ILE 530 HA ILE 530 -6.149 0.243 -4.179 477 HB ILE 530 HB ILE 530 -6.101 2.765 -2.524 478 HG12 ILE 530 HG13 ILE 530 -3.846 2.531 -3.315 479 HG13 ILE 530 HG12 ILE 530 -3.875 1.844 -1.693 480 HG21 ILE 530 HG21 ILE 530 -7.258 0.438 -1.942 481 HG22 ILE 530 HG22 ILE 530 -6.396 1.366 -0.715 482 HG23 ILE 530 HG23 ILE 530 -5.607 0.003 -1.501 483 HD11 ILE 530 HD11 ILE 530 -3.803 0.395 -4.340 484 HD12 ILE 530 HD12 ILE 530 -4.332 -0.414 -2.866 485 HD13 ILE 530 HD13 ILE 530 -2.698 0.238 -2.976 486 H GLU 531 H GLU 531 -7.307 3.526 -4.753 487 HA GLU 531 HA GLU 531 -9.963 3.070 -3.844 488 HB2 GLU 531 HB3 GLU 531 -8.845 5.134 -5.753 489 HB3 GLU 531 HB2 GLU 531 -10.487 5.155 -5.106 490 HG2 GLU 531 HG3 GLU 531 -8.371 4.827 -3.076 491 HG3 GLU 531 HG2 GLU 531 -8.349 6.377 -3.913 492 H GLU 532 H GLU 532 -8.292 2.434 -6.822 493 HA GLU 532 HA GLU 532 -10.534 2.204 -8.542 494 HB2 GLU 532 HB3 GLU 532 -7.889 2.183 -8.968 495 HB3 GLU 532 HB2 GLU 532 -8.181 0.443 -8.985 496 HG2 GLU 532 HG3 GLU 532 -10.068 0.882 -10.622 497 HG3 GLU 532 HG2 GLU 532 -9.488 2.543 -10.729 498 H THR 533 H THR 533 -8.712 -0.226 -6.696 499 HA THR 533 HA THR 533 -10.428 -2.396 -7.438 500 HB THR 533 HB THR 533 -8.175 -2.941 -6.806 501 HG1 THR 533 HG1 THR 533 -9.781 -4.394 -6.085 502 HG21 THR 533 HG21 THR 533 -7.700 -0.973 -5.435 503 HG22 THR 533 HG22 THR 533 -7.332 -2.435 -4.529 504 HG23 THR 533 HG23 THR 533 -8.815 -1.543 -4.193 505 H GLY 534 H GLY 534 -11.093 0.226 -5.632 506 HA2 GLY 534 HA3 GLY 534 -12.548 0.724 -3.907 507 HA3 GLY 534 HA2 GLY 534 -13.524 -0.541 -4.648 508 H HIS 535 H HIS 535 -10.386 -1.257 -3.320 509 HA HIS 535 HA HIS 535 -11.691 -2.690 -1.078 510 HB2 HIS 535 HB3 HIS 535 -9.732 -3.538 -3.068 511 HB3 HIS 535 HB2 HIS 535 -9.201 -3.849 -1.415 512 HD1 HIS 535 HD1 HIS 535 -10.851 -5.578 -3.942 513 HD2 HIS 535 HD2 HIS 535 -11.800 -4.918 0.063 514 HE1 HIS 535 HE1 HIS 535 -12.500 -7.387 -3.288 515 HE2 HIS 535 HE2 HIS 535 -13.088 -6.999 -0.849 516 H PHE 536 H PHE 536 -11.483 -1.176 0.528 517 HA PHE 536 HA PHE 536 -8.986 -0.976 1.853 518 HB2 PHE 536 HB3 PHE 536 -8.580 1.431 1.608 519 HB3 PHE 536 HB2 PHE 536 -8.476 0.617 0.046 520 HD1 PHE 536 HD1 PHE 536 -10.622 2.741 2.208 521 HD2 PHE 536 HD2 PHE 536 -10.057 1.074 -1.712 522 HE1 PHE 536 HE1 PHE 536 -12.405 4.217 1.323 523 HE2 PHE 536 HE2 PHE 536 -11.841 2.553 -2.594 524 HZ PHE 536 HZ PHE 536 -13.014 4.123 -1.078 525 H HIS 537 H HIS 537 -9.195 1.056 3.497 526 HA HIS 537 HA HIS 537 -11.973 1.223 4.445 527 HB2 HIS 537 HB3 HIS 537 -10.071 -0.482 5.590 528 HB3 HIS 537 HB2 HIS 537 -10.131 0.918 6.662 529 HD1 HIS 537 HD1 HIS 537 -11.743 0.417 8.500 530 HD2 HIS 537 HD2 HIS 537 -13.129 -0.990 4.827 531 HE1 HIS 537 HE1 HIS 537 -14.048 -0.544 8.924 532 HE2 HIS 537 HE2 HIS 537 -14.905 -1.406 6.694 533 H ILE 538 H ILE 538 -12.207 3.386 4.123 534 HA ILE 538 HA ILE 538 -10.107 5.220 4.964 535 HB ILE 538 HB ILE 538 -11.310 5.595 2.835 536 HG12 ILE 538 HG13 ILE 538 -12.326 7.926 4.197 537 HG13 ILE 538 HG12 ILE 538 -10.771 7.464 4.889 538 HG21 ILE 538 HG21 ILE 538 -13.599 5.876 2.706 539 HG22 ILE 538 HG22 ILE 538 -13.725 6.463 4.364 540 HG23 ILE 538 HG23 ILE 538 -13.517 4.740 4.051 541 HD11 ILE 538 HD11 ILE 538 -9.816 7.364 2.590 542 HD12 ILE 538 HD12 ILE 538 -10.401 8.975 3.007 543 HD13 ILE 538 HD13 ILE 538 -11.360 7.933 1.954 544 H THR 539 H THR 539 -10.169 6.481 6.733 545 HA THR 539 HA THR 539 -12.348 6.007 8.639 546 HB THR 539 HB THR 539 -9.971 7.624 9.392 547 HG1 THR 539 HG1 THR 539 -8.803 5.648 9.660 548 HG21 THR 539 HG21 THR 539 -11.901 6.890 10.899 549 HG22 THR 539 HG22 THR 539 -10.278 6.526 11.485 550 HG23 THR 539 HG23 THR 539 -11.258 5.256 10.754 551 H ASN 540 H ASN 540 -13.274 7.786 9.817 552 HA ASN 540 HA ASN 540 -14.188 9.883 8.201 553 HB2 ASN 540 HB3 ASN 540 -15.217 8.988 10.358 554 HB3 ASN 540 HB2 ASN 540 -14.053 10.000 11.211 555 HD21 ASN 540 HD21 ASN 540 -15.496 11.610 12.011 556 HD22 ASN 540 HD22 ASN 540 -16.420 12.613 10.999 557 H THR 541 H THR 541 -11.294 9.566 10.074 558 HA THR 541 HA THR 541 -10.491 12.271 9.238 559 HB THR 541 HB THR 541 -9.318 12.330 11.598 560 HG1 THR 541 HG1 THR 541 -11.183 10.292 11.750 561 HG21 THR 541 HG21 THR 541 -10.801 14.068 11.193 562 HG22 THR 541 HG22 THR 541 -11.635 13.224 12.498 563 HG23 THR 541 HG23 THR 541 -12.138 12.978 10.827 564 H THR 542 H THR 542 -9.886 9.450 8.412 565 HA THR 542 HA THR 542 -7.057 9.776 8.098 566 HB THR 542 HB THR 542 -7.635 7.231 9.514 567 HG1 THR 542 HG1 THR 542 -7.008 8.758 11.434 568 HG21 THR 542 HG21 THR 542 -5.366 9.147 9.978 569 HG22 THR 542 HG22 THR 542 -5.406 8.158 8.520 570 HG23 THR 542 HG23 THR 542 -5.375 7.388 10.105 571 H PHE 543 H PHE 543 -6.102 7.909 6.886 572 HA PHE 543 HA PHE 543 -8.127 6.346 5.431 573 HB2 PHE 543 HB3 PHE 543 -7.714 8.113 3.912 574 HB3 PHE 543 HB2 PHE 543 -5.986 8.114 4.259 575 HD1 PHE 543 HD1 PHE 543 -8.545 5.535 3.278 576 HD2 PHE 543 HD2 PHE 543 -4.678 7.256 2.530 577 HE1 PHE 543 HE1 PHE 543 -8.173 3.908 1.448 578 HE2 PHE 543 HE2 PHE 543 -4.311 5.627 0.701 579 HZ PHE 543 HZ PHE 543 -6.058 3.953 0.159 580 H ASP 544 H ASP 544 -7.650 4.272 5.751 581 HA ASP 544 HA ASP 544 -4.839 3.411 5.523 582 HB2 ASP 544 HB3 ASP 544 -5.206 1.833 7.410 583 HB3 ASP 544 HB2 ASP 544 -5.273 3.524 7.904 584 H PHE 545 H PHE 545 -4.545 1.314 4.737 585 HA PHE 545 HA PHE 545 -6.942 -0.180 3.934 586 HB2 PHE 545 HB3 PHE 545 -6.233 -0.374 1.642 587 HB3 PHE 545 HB2 PHE 545 -6.274 1.342 2.044 588 HD1 PHE 545 HD2 PHE 545 -3.990 2.287 3.067 589 HD2 PHE 545 HD1 PHE 545 -4.328 -1.211 0.600 590 HE1 PHE 545 HE2 PHE 545 -1.593 2.475 2.473 591 HE2 PHE 545 HE1 PHE 545 -1.936 -1.015 -0.006 592 HZ PHE 545 HZ PHE 545 -0.564 0.826 0.933 593 H ASP 546 H ASP 546 -6.631 -2.379 3.761 594 HA ASP 546 HA ASP 546 -4.253 -3.405 5.062 595 HB2 ASP 546 HB3 ASP 546 -5.905 -5.509 4.109 596 HB3 ASP 546 HB2 ASP 546 -5.694 -4.954 5.767 597 H LEU 547 H LEU 547 -2.653 -4.607 4.154 598 HA LEU 547 HA LEU 547 -2.362 -4.486 1.277 599 HB2 LEU 547 HB3 LEU 547 -0.663 -5.230 3.600 600 HB3 LEU 547 HB2 LEU 547 -0.245 -5.955 2.050 601 HG LEU 547 HG LEU 547 0.912 -3.755 2.522 602 HD11 LEU 547 HD11 LEU 547 1.056 -3.540 0.301 603 HD12 LEU 547 HD12 LEU 547 -0.593 -2.912 0.220 604 HD13 LEU 547 HD13 LEU 547 -0.306 -4.648 0.138 605 HD21 LEU 547 HD21 LEU 547 -0.280 -1.780 2.745 606 HD22 LEU 547 HD22 LEU 547 -1.316 -2.915 3.602 607 HD23 LEU 547 HD23 LEU 547 -1.709 -2.423 1.957 608 H CYS 548 H CYS 548 -3.050 -6.930 3.704 609 HA CYS 548 HA CYS 548 -2.904 -9.104 1.807 610 HB2 CYS 548 HB3 CYS 548 -2.826 -8.912 4.575 611 HB3 CYS 548 HB2 CYS 548 -4.396 -9.647 4.254 612 HG CYS 548 HG CYS 548 -3.283 -11.698 3.344 613 H SER 549 H SER 549 -4.920 -6.671 1.801 614 HA SER 549 HA SER 549 -7.383 -8.265 1.461 615 HB2 SER 549 HB3 SER 549 -6.913 -5.335 1.999 616 HB3 SER 549 HB2 SER 549 -8.471 -5.951 1.455 617 HG SER 549 HG SER 549 -7.975 -7.545 3.321 618 H LEU 550 H LEU 550 -5.052 -6.266 -0.159 619 HA LEU 550 HA LEU 550 -6.607 -5.713 -2.493 620 HB2 LEU 550 HB3 LEU 550 -3.592 -5.798 -2.258 621 HB3 LEU 550 HB2 LEU 550 -4.547 -4.925 -3.455 622 HG LEU 550 HG LEU 550 -4.515 -4.389 -0.469 623 HD11 LEU 550 HD11 LEU 550 -3.277 -3.057 -2.863 624 HD12 LEU 550 HD12 LEU 550 -2.547 -3.448 -1.306 625 HD13 LEU 550 HD13 LEU 550 -3.689 -2.116 -1.433 626 HD21 LEU 550 HD21 LEU 550 -6.199 -3.374 -2.738 627 HD22 LEU 550 HD22 LEU 550 -5.834 -2.312 -1.380 628 HD23 LEU 550 HD23 LEU 550 -6.692 -3.826 -1.107 629 H ASP 551 H ASP 551 -6.651 -6.737 -4.460 630 HA ASP 551 HA ASP 551 -6.022 -9.570 -4.424 631 HB2 ASP 551 HB3 ASP 551 -7.428 -7.756 -6.381 632 HB3 ASP 551 HB2 ASP 551 -7.041 -9.431 -6.776 633 H LYS 552 H LYS 552 -5.250 -10.324 -6.800 634 HA LYS 552 HA LYS 552 -2.511 -9.647 -6.941 635 HB2 LYS 552 HB3 LYS 552 -2.589 -10.935 -9.111 636 HB3 LYS 552 HB2 LYS 552 -3.207 -11.808 -7.710 637 HG2 LYS 552 HG3 LYS 552 -5.278 -10.224 -9.036 638 HG3 LYS 552 HG2 LYS 552 -4.561 -11.424 -10.110 639 HD2 LYS 552 HD3 LYS 552 -4.960 -13.171 -8.371 640 HD3 LYS 552 HD2 LYS 552 -5.767 -11.956 -7.377 641 HE2 LYS 552 HE3 LYS 552 -7.563 -12.954 -8.500 642 HE3 LYS 552 HE2 LYS 552 -7.223 -11.548 -9.510 643 HZ1 LYS 552 HZ1 LYS 552 -7.436 -13.488 -10.883 644 HZ2 LYS 552 HZ2 LYS 552 -6.277 -14.326 -9.965 645 HZ3 LYS 552 HZ3 LYS 552 -5.815 -12.985 -10.900 646 H THR 553 H THR 553 -5.321 -8.203 -8.308 647 HA THR 553 HA THR 553 -4.208 -7.001 -10.607 648 HB THR 553 HB THR 553 -6.446 -6.019 -8.823 649 HG1 THR 553 HG1 THR 553 -7.008 -7.142 -11.249 650 HG21 THR 553 HG21 THR 553 -5.475 -5.231 -11.567 651 HG22 THR 553 HG22 THR 553 -5.818 -4.191 -10.186 652 HG23 THR 553 HG23 THR 553 -7.143 -4.951 -11.065 653 H THR 554 H THR 554 -4.800 -5.586 -7.377 654 HA THR 554 HA THR 554 -3.345 -3.203 -7.919 655 HB THR 554 HB THR 554 -3.337 -3.698 -5.130 656 HG1 THR 554 HG1 THR 554 -5.538 -4.250 -4.869 657 HG21 THR 554 HG21 THR 554 -3.709 -1.528 -6.163 658 HG22 THR 554 HG22 THR 554 -5.114 -1.945 -5.183 659 HG23 THR 554 HG23 THR 554 -5.181 -2.116 -6.937 660 H VAL 555 H VAL 555 -2.526 -6.005 -5.852 661 HA VAL 555 HA VAL 555 0.002 -5.366 -5.060 662 HB VAL 555 HB VAL 555 -0.951 -8.065 -6.045 663 HG11 VAL 555 HG11 VAL 555 0.900 -8.588 -4.135 664 HG12 VAL 555 HG12 VAL 555 1.585 -7.117 -4.827 665 HG13 VAL 555 HG13 VAL 555 1.284 -8.516 -5.856 666 HG21 VAL 555 HG21 VAL 555 -1.596 -6.455 -3.746 667 HG22 VAL 555 HG22 VAL 555 -0.721 -7.893 -3.216 668 HG23 VAL 555 HG23 VAL 555 -2.198 -8.058 -4.168 669 H ARG 556 H ARG 556 -0.965 -6.541 -8.250 670 HA ARG 556 HA ARG 556 1.678 -6.845 -9.271 671 HB2 ARG 556 HB3 ARG 556 -1.033 -6.565 -10.560 672 HB3 ARG 556 HB2 ARG 556 0.444 -6.696 -11.516 673 HG2 ARG 556 HG3 ARG 556 0.025 -8.686 -9.326 674 HG3 ARG 556 HG2 ARG 556 -0.936 -8.863 -10.795 675 HD2 ARG 556 HD3 ARG 556 2.085 -8.626 -10.721 676 HD3 ARG 556 HD2 ARG 556 1.194 -10.133 -10.916 677 HE ARG 556 HE ARG 556 0.216 -8.583 -12.925 678 HH11 ARG 556 HH21 ARG 556 3.390 -9.408 -11.823 679 HH12 ARG 556 HH22 ARG 556 4.112 -9.308 -13.394 680 HH21 ARG 556 HH11 ARG 556 1.154 -8.450 -14.988 681 HH22 ARG 556 HH12 ARG 556 2.846 -8.766 -15.187 682 H LYS 557 H LYS 557 -0.749 -4.255 -9.582 683 HA LYS 557 HA LYS 557 0.793 -2.547 -11.200 684 HB2 LYS 557 HB3 LYS 557 -1.750 -2.477 -10.273 685 HB3 LYS 557 HB2 LYS 557 -1.007 -1.279 -9.215 686 HG2 LYS 557 HG3 LYS 557 -1.630 0.030 -11.048 687 HG3 LYS 557 HG2 LYS 557 0.041 -0.365 -11.448 688 HD2 LYS 557 HD3 LYS 557 -1.107 -2.488 -12.576 689 HD3 LYS 557 HD2 LYS 557 -2.495 -1.400 -12.649 690 HE2 LYS 557 HE3 LYS 557 -1.166 -1.204 -14.702 691 HE3 LYS 557 HE2 LYS 557 -1.082 0.297 -13.781 692 HZ1 LYS 557 HZ1 LYS 557 0.952 -1.437 -12.914 693 HZ2 LYS 557 HZ2 LYS 557 1.101 0.083 -13.656 694 HZ3 LYS 557 HZ3 LYS 557 1.025 -1.324 -14.604 695 H LEU 558 H LEU 558 0.698 -3.030 -7.720 696 HA LEU 558 HA LEU 558 2.240 -0.737 -7.029 697 HB2 LEU 558 HB3 LEU 558 1.823 -3.340 -5.543 698 HB3 LEU 558 HB2 LEU 558 2.532 -1.882 -4.851 699 HG LEU 558 HG LEU 558 -0.251 -2.064 -6.038 700 HD11 LEU 558 HD11 LEU 558 -0.898 -1.691 -3.593 701 HD12 LEU 558 HD12 LEU 558 0.765 -2.122 -3.193 702 HD13 LEU 558 HD13 LEU 558 -0.281 -3.292 -3.999 703 HD21 LEU 558 HD21 LEU 558 0.186 0.183 -6.234 704 HD22 LEU 558 HD22 LEU 558 1.432 0.158 -4.987 705 HD23 LEU 558 HD23 LEU 558 -0.271 0.164 -4.530 706 H GLN 559 H GLN 559 3.050 -4.145 -7.590 707 HA GLN 559 HA GLN 559 5.760 -4.062 -6.943 708 HB2 GLN 559 HB3 GLN 559 4.023 -5.773 -8.622 709 HB3 GLN 559 HB2 GLN 559 5.747 -5.834 -8.992 710 HG2 GLN 559 HG3 GLN 559 6.295 -6.443 -6.734 711 HG3 GLN 559 HG2 GLN 559 4.649 -6.123 -6.187 712 HE21 GLN 559 HE21 GLN 559 6.072 -8.702 -5.956 713 HE22 GLN 559 HE22 GLN 559 5.171 -9.827 -6.853 714 H SER 560 H SER 560 4.103 -3.203 -9.951 715 HA SER 560 HA SER 560 6.486 -2.725 -11.451 716 HB2 SER 560 HB3 SER 560 3.632 -1.820 -11.849 717 HB3 SER 560 HB2 SER 560 4.927 -1.503 -13.000 718 HG SER 560 HG SER 560 3.589 -3.489 -13.273 719 H TYR 561 H TYR 561 4.252 -0.638 -9.646 720 HA TYR 561 HA TYR 561 5.222 1.859 -10.272 721 HB2 TYR 561 HB3 TYR 561 3.840 0.659 -7.976 722 HB3 TYR 561 HB2 TYR 561 4.779 2.093 -7.572 723 HD1 TYR 561 HD2 TYR 561 4.576 4.045 -9.428 724 HD2 TYR 561 HD1 TYR 561 1.635 1.006 -8.667 725 HE1 TYR 561 HE2 TYR 561 2.827 5.484 -10.436 726 HE2 TYR 561 HE1 TYR 561 -0.113 2.448 -9.674 727 HH TYR 561 HH TYR 561 0.700 5.462 -11.294 728 H LEU 562 H LEU 562 6.493 -0.391 -7.826 729 HA LEU 562 HA LEU 562 8.617 1.350 -7.018 730 HB2 LEU 562 HB3 LEU 562 8.052 -1.584 -6.595 731 HB3 LEU 562 HB2 LEU 562 9.519 -0.815 -5.991 732 HG LEU 562 HG LEU 562 7.060 0.685 -5.390 733 HD11 LEU 562 HD11 LEU 562 6.461 -0.901 -3.519 734 HD12 LEU 562 HD12 LEU 562 7.518 -2.095 -4.274 735 HD13 LEU 562 HD13 LEU 562 6.092 -1.511 -5.131 736 HD21 LEU 562 HD21 LEU 562 9.349 1.156 -4.487 737 HD22 LEU 562 HD22 LEU 562 9.296 -0.391 -3.642 738 HD23 LEU 562 HD23 LEU 562 8.156 0.884 -3.218 739 H GLU 563 H GLU 563 8.342 -1.387 -9.245 740 HA GLU 563 HA GLU 563 11.144 -1.346 -9.921 741 HB2 GLU 563 HB3 GLU 563 8.746 -2.847 -10.926 742 HB3 GLU 563 HB2 GLU 563 10.276 -2.907 -11.801 743 HG2 GLU 563 HG3 GLU 563 11.427 -3.724 -9.813 744 HG3 GLU 563 HG2 GLU 563 9.952 -3.567 -8.860 745 H THR 564 H THR 564 8.692 0.713 -10.611 746 HA THR 564 HA THR 564 8.520 1.239 -13.261 747 HB THR 564 HB THR 564 7.479 2.645 -11.518 748 HG1 THR 564 HG1 THR 564 8.740 4.660 -12.696 749 HG21 THR 564 HG21 THR 564 8.677 4.037 -10.109 750 HG22 THR 564 HG22 THR 564 10.031 4.177 -11.230 751 HG23 THR 564 HG23 THR 564 9.822 2.707 -10.280 752 H SER 565 H SER 565 9.883 1.611 -14.889 753 HA SER 565 HA SER 565 12.265 3.173 -14.616 754 HB2 SER 565 HB3 SER 565 13.937 1.563 -14.734 755 HB3 SER 565 HB2 SER 565 12.785 0.793 -13.647 756 HG SER 565 HG SER 565 11.879 -0.101 -15.699 757 H GLY 566 H GLY 566 10.132 3.494 -16.273 758 HA2 GLY 566 HA3 GLY 566 11.130 3.945 -18.760 759 HA3 GLY 566 HA2 GLY 566 10.601 2.268 -18.850 760 H THR 567 H THR 567 9.618 4.915 -20.040 761 HA THR 567 HA THR 567 6.905 5.071 -18.969 762 HB THR 567 HB THR 567 6.805 7.128 -19.925 763 HG1 THR 567 HG1 THR 567 6.803 7.129 -22.005 764 HG21 THR 567 HG21 THR 567 8.930 8.223 -20.015 765 HG22 THR 567 HG22 THR 567 9.758 6.722 -20.431 766 HG23 THR 567 HG23 THR 567 9.084 6.940 -18.816 767 H SER 568 H SER 568 5.251 5.448 -20.949 768 HA SER 568 HA SER 568 4.667 2.941 -21.997 769 HB2 SER 568 HB3 SER 568 3.194 5.063 -21.851 770 HB3 SER 568 HB2 SER 568 3.883 5.476 -23.420 771 HG SER 568 HG SER 568 2.115 4.277 -23.881 Start of MODEL 3 1 H1 THR 326 H1 THR 326 -6.914 -22.032 16.005 2 H2 THR 326 H2 THR 326 -6.370 -23.619 15.737 3 H3 THR 326 H3 THR 326 -5.697 -22.328 14.861 4 HA THR 326 HA THR 326 -5.184 -21.481 17.312 5 HB THR 326 HB THR 326 -4.814 -24.476 17.479 6 HG1 THR 326 HG1 THR 326 -7.034 -22.919 17.927 7 HG21 THR 326 HG21 THR 326 -5.075 -22.801 19.888 8 HG22 THR 326 HG22 THR 326 -3.671 -22.422 18.888 9 HG23 THR 326 HG23 THR 326 -3.895 -24.057 19.512 10 H GLN 327 H GLN 327 -3.827 -24.480 15.951 11 HA GLN 327 HA GLN 327 -1.175 -23.577 15.895 12 HB2 GLN 327 HB3 GLN 327 -2.532 -25.700 14.216 13 HB3 GLN 327 HB2 GLN 327 -0.787 -25.475 14.331 14 HG2 GLN 327 HG3 GLN 327 -1.947 -25.554 16.975 15 HG3 GLN 327 HG2 GLN 327 -2.427 -26.984 16.063 16 HE21 GLN 327 HE21 GLN 327 -0.113 -26.058 18.179 17 HE22 GLN 327 HE22 GLN 327 1.201 -26.971 17.612 18 H GLY 328 H GLY 328 0.172 -23.220 13.959 19 HA2 GLY 328 HA3 GLY 328 0.477 -22.473 11.728 20 HA3 GLY 328 HA2 GLY 328 -1.235 -22.064 11.656 21 H GLY 329 H GLY 329 -0.712 -19.977 10.855 22 HA2 GLY 329 HA3 GLY 329 -0.003 -18.082 12.987 23 HA3 GLY 329 HA2 GLY 329 0.905 -18.017 11.479 24 H ARG 330 H ARG 330 -0.984 -16.079 12.785 25 HA ARG 330 HA ARG 330 -2.666 -15.616 10.410 26 HB2 ARG 330 HB3 ARG 330 -4.461 -14.790 12.021 27 HB3 ARG 330 HB2 ARG 330 -4.236 -16.537 11.932 28 HG2 ARG 330 HG3 ARG 330 -2.922 -16.540 13.961 29 HG3 ARG 330 HG2 ARG 330 -2.905 -14.776 14.007 30 HD2 ARG 330 HD3 ARG 330 -5.362 -14.763 14.264 31 HD3 ARG 330 HD2 ARG 330 -5.372 -16.524 14.238 32 HE ARG 330 HE ARG 330 -4.605 -16.512 16.436 33 HH11 ARG 330 HH21 ARG 330 -4.285 -13.397 14.965 34 HH12 ARG 330 HH22 ARG 330 -3.858 -12.593 16.439 35 HH21 ARG 330 HH11 ARG 330 -4.045 -15.466 18.370 36 HH22 ARG 330 HH12 ARG 330 -3.722 -13.765 18.367 37 HA PRO 331 HA PRO 331 -0.302 -11.876 11.996 38 HB2 PRO 331 HB3 PRO 331 1.158 -11.421 9.724 39 HB3 PRO 331 HB2 PRO 331 1.715 -12.451 11.055 40 HG2 PRO 331 HG3 PRO 331 0.543 -13.211 8.435 41 HG3 PRO 331 HG2 PRO 331 1.828 -13.992 9.369 42 HD2 PRO 331 HD3 PRO 331 -0.764 -14.911 9.291 43 HD3 PRO 331 HD2 PRO 331 0.343 -15.207 10.647 44 H SER 332 H SER 332 -0.230 -9.662 10.904 45 HA SER 332 HA SER 332 -2.356 -9.335 8.890 46 HB2 SER 332 HB3 SER 332 -2.203 -7.425 11.194 47 HB3 SER 332 HB2 SER 332 -3.561 -7.785 10.131 48 HG SER 332 HG SER 332 -3.996 -8.845 11.995 49 H LEU 333 H LEU 333 -2.197 -7.437 7.638 50 HA LEU 333 HA LEU 333 0.255 -5.844 7.979 51 HB2 LEU 333 HB3 LEU 333 0.334 -7.830 6.215 52 HB3 LEU 333 HB2 LEU 333 -0.529 -6.661 5.219 53 HG LEU 333 HG LEU 333 1.353 -5.006 6.058 54 HD11 LEU 333 HD11 LEU 333 3.093 -7.408 5.967 55 HD12 LEU 333 HD12 LEU 333 2.181 -7.160 7.460 56 HD13 LEU 333 HD13 LEU 333 3.285 -5.911 6.882 57 HD21 LEU 333 HD21 LEU 333 2.873 -6.301 4.188 58 HD22 LEU 333 HD22 LEU 333 1.544 -5.220 3.804 59 HD23 LEU 333 HD23 LEU 333 1.277 -6.958 3.837 60 H ILE 334 H ILE 334 -0.688 -3.919 8.440 61 HA ILE 334 HA ILE 334 -2.572 -2.833 6.441 62 HB ILE 334 HB ILE 334 -2.711 -2.455 9.438 63 HG12 ILE 334 HG13 ILE 334 -5.135 -3.402 8.306 64 HG13 ILE 334 HG12 ILE 334 -3.844 -4.401 7.636 65 HG21 ILE 334 HG21 ILE 334 -4.112 -1.164 7.103 66 HG22 ILE 334 HG22 ILE 334 -3.425 -0.404 8.539 67 HG23 ILE 334 HG23 ILE 334 -4.931 -1.314 8.658 68 HD11 ILE 334 HD11 ILE 334 -4.703 -5.323 9.776 69 HD12 ILE 334 HD12 ILE 334 -4.245 -3.825 10.586 70 HD13 ILE 334 HD13 ILE 334 -3.003 -4.868 9.893 71 H ALA 335 H ALA 335 -2.269 -0.761 5.817 72 HA ALA 335 HA ALA 335 0.071 0.629 6.974 73 HB1 ALA 335 HB1 ALA 335 -0.024 -0.274 4.480 74 HB2 ALA 335 HB2 ALA 335 0.762 1.251 4.881 75 HB3 ALA 335 HB3 ALA 335 -0.873 1.247 4.219 76 H ARG 336 H ARG 336 -0.274 2.521 7.876 77 HA ARG 336 HA ARG 336 -2.879 3.837 7.471 78 HB2 ARG 336 HB3 ARG 336 -1.912 3.106 9.809 79 HB3 ARG 336 HB2 ARG 336 -0.977 4.594 9.655 80 HG2 ARG 336 HG3 ARG 336 -3.149 5.799 9.168 81 HG3 ARG 336 HG2 ARG 336 -3.992 4.313 9.606 82 HD2 ARG 336 HD3 ARG 336 -2.115 5.887 11.392 83 HD3 ARG 336 HD2 ARG 336 -3.868 5.817 11.539 84 HE ARG 336 HE ARG 336 -3.013 3.187 11.646 85 HH11 ARG 336 HH21 ARG 336 -2.450 6.135 13.371 86 HH12 ARG 336 HH22 ARG 336 -2.144 5.353 14.885 87 HH21 ARG 336 HH11 ARG 336 -2.614 2.155 13.629 88 HH22 ARG 336 HH12 ARG 336 -2.237 3.100 15.031 89 H ILE 337 H ILE 337 -2.921 5.585 6.247 90 HA ILE 337 HA ILE 337 -0.563 7.352 6.198 91 HB ILE 337 HB ILE 337 -2.151 6.841 3.699 92 HG12 ILE 337 HG13 ILE 337 0.228 5.260 4.729 93 HG13 ILE 337 HG12 ILE 337 -1.386 4.629 4.406 94 HG21 ILE 337 HG21 ILE 337 -0.529 8.779 4.002 95 HG22 ILE 337 HG22 ILE 337 -0.178 7.718 2.639 96 HG23 ILE 337 HG23 ILE 337 0.754 7.577 4.128 97 HD11 ILE 337 HD11 ILE 337 -1.054 5.473 1.996 98 HD12 ILE 337 HD12 ILE 337 -0.118 4.055 2.478 99 HD13 ILE 337 HD13 ILE 337 0.652 5.640 2.417 100 HA PRO 338 HA PRO 338 -4.344 9.728 7.445 101 HB2 PRO 338 HB3 PRO 338 -2.143 11.703 7.888 102 HB3 PRO 338 HB2 PRO 338 -3.525 11.301 8.928 103 HG2 PRO 338 HG3 PRO 338 -1.081 10.421 9.484 104 HG3 PRO 338 HG2 PRO 338 -2.513 9.416 9.771 105 HD2 PRO 338 HD3 PRO 338 -0.451 9.186 7.630 106 HD3 PRO 338 HD2 PRO 338 -1.416 7.912 8.413 107 H VAL 339 H VAL 339 -5.536 10.740 5.957 108 HA VAL 339 HA VAL 339 -4.822 11.421 3.406 109 HB VAL 339 HB VAL 339 -6.795 12.815 3.303 110 HG11 VAL 339 HG11 VAL 339 -6.988 10.288 3.721 111 HG12 VAL 339 HG12 VAL 339 -8.422 11.255 4.066 112 HG13 VAL 339 HG13 VAL 339 -7.389 10.707 5.386 113 HG21 VAL 339 HG21 VAL 339 -6.476 12.892 6.312 114 HG22 VAL 339 HG22 VAL 339 -7.988 13.325 5.512 115 HG23 VAL 339 HG23 VAL 339 -6.523 14.254 5.192 116 H ALA 340 H ALA 340 -4.512 13.417 6.303 117 HA ALA 340 HA ALA 340 -3.892 15.882 5.227 118 HB1 ALA 340 HB1 ALA 340 -4.050 15.152 7.697 119 HB2 ALA 340 HB2 ALA 340 -2.878 16.406 7.286 120 HB3 ALA 340 HB3 ALA 340 -2.340 14.746 7.543 121 H ARG 341 H ARG 341 -2.249 12.988 4.724 122 HA ARG 341 HA ARG 341 0.330 14.281 4.180 123 HB2 ARG 341 HB3 ARG 341 0.277 12.135 5.441 124 HB3 ARG 341 HB2 ARG 341 -0.427 11.356 4.024 125 HG2 ARG 341 HG3 ARG 341 1.528 11.810 2.699 126 HG3 ARG 341 HG2 ARG 341 2.201 12.855 3.950 127 HD2 ARG 341 HD3 ARG 341 2.521 10.993 5.442 128 HD3 ARG 341 HD2 ARG 341 1.621 9.916 4.379 129 HE ARG 341 HE ARG 341 3.680 10.815 2.814 130 HH11 ARG 341 HH21 ARG 341 3.401 9.342 5.933 131 HH12 ARG 341 HH22 ARG 341 4.929 8.531 5.839 132 HH21 ARG 341 HH11 ARG 341 5.684 9.754 2.684 133 HH22 ARG 341 HH12 ARG 341 6.221 8.765 4.000 134 H ILE 342 H ILE 342 -1.984 12.115 2.540 135 HA ILE 342 HA ILE 342 -0.780 12.547 -0.042 136 HB ILE 342 HB ILE 342 -3.463 11.312 0.618 137 HG12 ILE 342 HG13 ILE 342 -1.242 9.516 -0.047 138 HG13 ILE 342 HG12 ILE 342 -0.969 10.397 1.452 139 HG21 ILE 342 HG21 ILE 342 -3.207 11.893 -1.737 140 HG22 ILE 342 HG22 ILE 342 -3.066 10.144 -1.556 141 HG23 ILE 342 HG23 ILE 342 -1.619 11.127 -1.781 142 HD11 ILE 342 HD11 ILE 342 -3.597 9.020 0.897 143 HD12 ILE 342 HD12 ILE 342 -2.943 9.551 2.447 144 HD13 ILE 342 HD13 ILE 342 -2.238 8.162 1.622 145 H LEU 343 H LEU 343 -4.022 13.280 1.277 146 HA LEU 343 HA LEU 343 -4.740 14.998 -0.869 147 HB2 LEU 343 HB3 LEU 343 -5.844 14.508 1.889 148 HB3 LEU 343 HB2 LEU 343 -6.500 15.792 0.880 149 HG LEU 343 HG LEU 343 -7.737 13.616 0.665 150 HD11 LEU 343 HD11 LEU 343 -6.543 13.877 -2.017 151 HD12 LEU 343 HD12 LEU 343 -7.074 15.404 -1.317 152 HD13 LEU 343 HD13 LEU 343 -8.218 14.076 -1.508 153 HD21 LEU 343 HD21 LEU 343 -6.698 11.704 -0.312 154 HD22 LEU 343 HD22 LEU 343 -5.573 12.266 0.922 155 HD23 LEU 343 HD23 LEU 343 -5.269 12.625 -0.777 156 H GLY 344 H GLY 344 -2.752 15.424 1.878 157 HA2 GLY 344 HA3 GLY 344 -3.112 18.231 2.271 158 HA3 GLY 344 HA2 GLY 344 -1.745 17.271 2.831 159 H ASP 345 H ASP 345 -2.508 19.816 0.939 160 HA ASP 345 HA ASP 345 0.023 19.688 -0.478 161 HB2 ASP 345 HB3 ASP 345 -1.046 20.169 -2.687 162 HB3 ASP 345 HB2 ASP 345 -1.371 18.545 -2.085 163 HA PRO 346 HA PRO 346 -1.569 23.897 0.798 164 HB2 PRO 346 HB3 PRO 346 0.326 24.448 2.681 165 HB3 PRO 346 HB2 PRO 346 -1.188 23.600 3.049 166 HG2 PRO 346 HG3 PRO 346 1.552 22.519 2.698 167 HG3 PRO 346 HG2 PRO 346 0.262 22.001 3.795 168 HD2 PRO 346 HD3 PRO 346 0.911 20.717 1.422 169 HD3 PRO 346 HD2 PRO 346 -0.663 20.592 2.239 170 H GLU 347 H GLU 347 0.611 22.696 -1.108 171 HA GLU 347 HA GLU 347 1.860 25.285 -1.683 172 HB2 GLU 347 HB3 GLU 347 4.040 23.958 -2.127 173 HB3 GLU 347 HB2 GLU 347 3.636 24.360 -0.456 174 HG2 GLU 347 HG3 GLU 347 3.095 22.183 0.086 175 HG3 GLU 347 HG2 GLU 347 2.587 21.789 -1.557 176 H GLU 348 H GLU 348 -0.032 24.780 -3.256 177 HA GLU 348 HA GLU 348 0.103 22.844 -5.244 178 HB2 GLU 348 HB3 GLU 348 -1.166 24.488 -6.651 179 HB3 GLU 348 HB2 GLU 348 -1.844 24.258 -5.038 180 HG2 GLU 348 HG3 GLU 348 0.151 26.336 -4.960 181 HG3 GLU 348 HG2 GLU 348 -1.026 26.692 -6.223 182 H GLU 349 H GLU 349 0.409 23.636 -7.682 183 HA GLU 349 HA GLU 349 3.009 25.017 -7.903 184 HB2 GLU 349 HB3 GLU 349 2.259 22.458 -9.337 185 HB3 GLU 349 HB2 GLU 349 3.776 23.344 -9.505 186 HG2 GLU 349 HG3 GLU 349 3.781 23.064 -6.841 187 HG3 GLU 349 HG2 GLU 349 2.811 21.650 -7.249 188 H1 MET 499 H1 MET 499 -2.377 -21.740 4.293 189 H2 MET 499 H2 MET 499 -2.812 -20.110 4.088 190 H3 MET 499 H3 MET 499 -1.200 -20.595 3.866 191 HA MET 499 HA MET 499 -2.965 -22.083 2.198 192 HB2 MET 499 HB3 MET 499 -3.054 -19.069 2.148 193 HB3 MET 499 HB2 MET 499 -3.323 -20.012 0.682 194 HG2 MET 499 HG3 MET 499 -5.252 -21.050 1.559 195 HG3 MET 499 HG2 MET 499 -4.835 -20.620 3.218 196 HE1 MET 499 HE1 MET 499 -6.341 -17.400 3.926 197 HE2 MET 499 HE2 MET 499 -4.758 -18.148 4.112 198 HE3 MET 499 HE3 MET 499 -6.212 -19.108 4.370 199 H ASP 500 H ASP 500 -1.083 -19.151 1.532 200 HA ASP 500 HA ASP 500 1.182 -20.786 0.625 201 HB2 ASP 500 HB3 ASP 500 1.031 -18.900 -1.364 202 HB3 ASP 500 HB2 ASP 500 0.486 -20.570 -1.509 203 H LYS 501 H LYS 501 2.561 -19.979 2.153 204 HA LYS 501 HA LYS 501 2.719 -17.394 3.140 205 HB2 LYS 501 HB3 LYS 501 5.009 -19.317 2.656 206 HB3 LYS 501 HB2 LYS 501 5.043 -17.924 3.740 207 HG2 LYS 501 HG3 LYS 501 3.499 -18.893 5.234 208 HG3 LYS 501 HG2 LYS 501 2.930 -20.054 4.034 209 HD2 LYS 501 HD3 LYS 501 5.102 -21.207 4.099 210 HD3 LYS 501 HD2 LYS 501 5.697 -20.035 5.278 211 HE2 LYS 501 HE3 LYS 501 4.953 -22.067 6.428 212 HE3 LYS 501 HE2 LYS 501 3.890 -20.722 6.839 213 HZ1 LYS 501 HZ1 LYS 501 2.396 -21.499 5.037 214 HZ2 LYS 501 HZ2 LYS 501 2.546 -22.597 6.325 215 HZ3 LYS 501 HZ3 LYS 501 3.372 -22.875 4.866 216 H ALA 502 H ALA 502 4.213 -18.771 0.238 217 HA ALA 502 HA ALA 502 5.959 -16.854 -0.569 218 HB1 ALA 502 HB1 ALA 502 4.398 -18.873 -1.864 219 HB2 ALA 502 HB2 ALA 502 5.913 -18.143 -2.399 220 HB3 ALA 502 HB3 ALA 502 4.372 -17.417 -2.859 221 H TYR 503 H TYR 503 2.532 -16.777 -1.574 222 HA TYR 503 HA TYR 503 2.431 -14.271 -2.678 223 HB2 TYR 503 HB3 TYR 503 0.564 -16.092 -2.284 224 HB3 TYR 503 HB2 TYR 503 0.189 -15.097 -0.875 225 HD1 TYR 503 HD2 TYR 503 -0.051 -12.533 -1.281 226 HD2 TYR 503 HD1 TYR 503 -0.264 -15.485 -4.395 227 HE1 TYR 503 HE2 TYR 503 -1.236 -10.912 -2.737 228 HE2 TYR 503 HE1 TYR 503 -1.449 -13.865 -5.850 229 HH TYR 503 HH TYR 503 -2.740 -11.864 -5.700 230 H LEU 504 H LEU 504 1.861 -15.059 0.756 231 HA LEU 504 HA LEU 504 1.524 -12.409 1.642 232 HB2 LEU 504 HB3 LEU 504 2.230 -15.002 2.955 233 HB3 LEU 504 HB2 LEU 504 2.419 -13.508 3.872 234 HG LEU 504 HG LEU 504 -0.128 -13.926 2.358 235 HD11 LEU 504 HD11 LEU 504 0.740 -15.408 4.832 236 HD12 LEU 504 HD12 LEU 504 -0.124 -16.021 3.421 237 HD13 LEU 504 HD13 LEU 504 -0.958 -14.996 4.590 238 HD21 LEU 504 HD21 LEU 504 0.572 -11.838 3.701 239 HD22 LEU 504 HD22 LEU 504 0.330 -12.829 5.138 240 HD23 LEU 504 HD23 LEU 504 -1.021 -12.511 4.050 241 H ASP 505 H ASP 505 4.395 -14.368 1.119 242 HA ASP 505 HA ASP 505 6.277 -12.768 2.463 243 HB2 ASP 505 HB3 ASP 505 6.372 -15.111 1.043 244 HB3 ASP 505 HB2 ASP 505 7.217 -14.000 -0.035 245 H GLU 506 H GLU 506 5.163 -12.707 -0.914 246 HA GLU 506 HA GLU 506 6.824 -10.637 -1.825 247 HB2 GLU 506 HB3 GLU 506 4.180 -11.745 -2.691 248 HB3 GLU 506 HB2 GLU 506 4.776 -10.260 -3.430 249 HG2 GLU 506 HG3 GLU 506 6.533 -12.700 -3.204 250 HG3 GLU 506 HG2 GLU 506 5.419 -12.501 -4.555 251 H LEU 507 H LEU 507 3.442 -10.451 -0.672 252 HA LEU 507 HA LEU 507 3.043 -7.729 -0.830 253 HB2 LEU 507 HB3 LEU 507 1.969 -9.913 0.844 254 HB3 LEU 507 HB2 LEU 507 1.762 -8.290 1.505 255 HG LEU 507 HG LEU 507 1.056 -8.968 -1.368 256 HD11 LEU 507 HD11 LEU 507 -0.356 -9.606 1.141 257 HD12 LEU 507 HD12 LEU 507 -0.579 -10.270 -0.478 258 HD13 LEU 507 HD13 LEU 507 -1.338 -8.738 -0.041 259 HD21 LEU 507 HD21 LEU 507 0.440 -6.799 -1.486 260 HD22 LEU 507 HD22 LEU 507 1.230 -6.557 0.069 261 HD23 LEU 507 HD23 LEU 507 -0.494 -6.921 0.002 262 H VAL 508 H VAL 508 4.396 -9.514 1.949 263 HA VAL 508 HA VAL 508 4.923 -7.251 3.542 264 HB VAL 508 HB VAL 508 6.374 -9.909 3.496 265 HG11 VAL 508 HG11 VAL 508 6.155 -7.724 5.589 266 HG12 VAL 508 HG12 VAL 508 7.620 -8.230 4.746 267 HG13 VAL 508 HG13 VAL 508 6.837 -9.323 5.888 268 HG21 VAL 508 HG21 VAL 508 4.435 -9.429 5.625 269 HG22 VAL 508 HG22 VAL 508 4.578 -10.809 4.536 270 HG23 VAL 508 HG23 VAL 508 3.684 -9.376 4.030 271 H GLU 509 H GLU 509 7.021 -9.076 1.320 272 HA GLU 509 HA GLU 509 9.371 -7.619 1.663 273 HB2 GLU 509 HB3 GLU 509 9.367 -9.674 0.395 274 HB3 GLU 509 HB2 GLU 509 8.270 -8.986 -0.803 275 HG2 GLU 509 HG3 GLU 509 10.789 -7.490 -0.287 276 HG3 GLU 509 HG2 GLU 509 10.939 -9.023 -1.144 277 H LEU 510 H LEU 510 6.593 -6.990 -0.448 278 HA LEU 510 HA LEU 510 7.690 -4.788 -1.831 279 HB2 LEU 510 HB3 LEU 510 5.702 -5.978 -2.630 280 HB3 LEU 510 HB2 LEU 510 4.800 -5.449 -1.208 281 HG LEU 510 HG LEU 510 6.108 -3.231 -2.583 282 HD11 LEU 510 HD11 LEU 510 4.629 -3.228 -4.548 283 HD12 LEU 510 HD12 LEU 510 3.973 -4.793 -4.066 284 HD13 LEU 510 HD13 LEU 510 5.662 -4.657 -4.556 285 HD21 LEU 510 HD21 LEU 510 3.221 -3.854 -1.867 286 HD22 LEU 510 HD22 LEU 510 3.821 -2.281 -2.387 287 HD23 LEU 510 HD23 LEU 510 4.363 -2.968 -0.859 288 H HIS 511 H HIS 511 5.234 -4.795 0.773 289 HA HIS 511 HA HIS 511 5.150 -2.090 1.259 290 HB2 HIS 511 HB3 HIS 511 4.073 -4.314 2.447 291 HB3 HIS 511 HB2 HIS 511 5.134 -3.696 3.715 292 HD1 HIS 511 HD1 HIS 511 2.937 -1.913 1.150 293 HD2 HIS 511 HD2 HIS 511 3.595 -2.018 5.265 294 HE1 HIS 511 HE1 HIS 511 1.431 -0.151 2.157 295 HE2 HIS 511 HE2 HIS 511 1.817 -0.201 4.669 296 H ARG 512 H ARG 512 7.545 -4.445 2.315 297 HA ARG 512 HA ARG 512 8.909 -2.926 4.227 298 HB2 ARG 512 HB3 ARG 512 9.391 -5.333 2.678 299 HB3 ARG 512 HB2 ARG 512 10.870 -4.399 2.898 300 HG2 ARG 512 HG3 ARG 512 10.465 -4.313 5.326 301 HG3 ARG 512 HG2 ARG 512 8.975 -5.230 5.115 302 HD2 ARG 512 HD3 ARG 512 10.080 -7.198 4.893 303 HD3 ARG 512 HD2 ARG 512 11.320 -6.488 3.865 304 HE ARG 512 HE ARG 512 12.650 -6.361 5.747 305 HH11 ARG 512 HH21 ARG 512 9.305 -6.324 6.634 306 HH12 ARG 512 HH22 ARG 512 9.615 -6.292 8.338 307 HH21 ARG 512 HH11 ARG 512 13.064 -6.320 7.980 308 HH22 ARG 512 HH12 ARG 512 11.743 -6.291 9.100 309 H ARG 513 H ARG 513 9.738 -3.331 0.769 310 HA ARG 513 HA ARG 513 11.784 -1.379 0.769 311 HB2 ARG 513 HB3 ARG 513 10.122 -2.626 -1.416 312 HB3 ARG 513 HB2 ARG 513 11.349 -1.406 -1.760 313 HG2 ARG 513 HG3 ARG 513 13.061 -2.793 -0.673 314 HG3 ARG 513 HG2 ARG 513 11.843 -4.005 -0.274 315 HD2 ARG 513 HD3 ARG 513 11.696 -4.769 -2.435 316 HD3 ARG 513 HD2 ARG 513 12.037 -3.187 -3.128 317 HE ARG 513 HE ARG 513 14.395 -3.954 -1.929 318 HH11 ARG 513 HH21 ARG 513 12.217 -5.262 -4.278 319 HH12 ARG 513 HH22 ARG 513 13.448 -6.113 -5.148 320 HH21 ARG 513 HH11 ARG 513 16.015 -5.068 -3.066 321 HH22 ARG 513 HH12 ARG 513 15.599 -6.004 -4.462 322 H LEU 514 H LEU 514 8.331 -1.146 0.547 323 HA LEU 514 HA LEU 514 8.139 1.384 -0.707 324 HB2 LEU 514 HB3 LEU 514 6.266 -0.284 -0.388 325 HB3 LEU 514 HB2 LEU 514 6.203 0.221 1.301 326 HG LEU 514 HG LEU 514 6.239 2.616 -0.100 327 HD11 LEU 514 HD11 LEU 514 5.811 1.380 -2.197 328 HD12 LEU 514 HD12 LEU 514 4.429 2.383 -1.759 329 HD13 LEU 514 HD13 LEU 514 4.384 0.644 -1.468 330 HD21 LEU 514 HD21 LEU 514 3.864 2.750 0.634 331 HD22 LEU 514 HD22 LEU 514 4.911 2.117 1.904 332 HD23 LEU 514 HD23 LEU 514 3.892 1.020 0.973 333 H MET 515 H MET 515 8.320 0.395 2.702 334 HA MET 515 HA MET 515 7.903 2.875 3.906 335 HB2 MET 515 HB3 MET 515 9.728 0.619 4.775 336 HB3 MET 515 HB2 MET 515 9.252 1.972 5.800 337 HG2 MET 515 HG3 MET 515 6.807 1.240 5.124 338 HG3 MET 515 HG2 MET 515 7.584 -0.299 4.765 339 HE1 MET 515 HE1 MET 515 6.217 -1.704 7.131 340 HE2 MET 515 HE2 MET 515 5.479 -0.342 6.290 341 HE3 MET 515 HE3 MET 515 5.537 -0.354 8.051 342 H THR 516 H THR 516 10.693 1.633 2.221 343 HA THR 516 HA THR 516 12.407 3.808 3.134 344 HB THR 516 HB THR 516 14.010 2.708 1.441 345 HG1 THR 516 HG1 THR 516 11.832 0.914 1.508 346 HG21 THR 516 HG21 THR 516 14.270 2.374 3.823 347 HG22 THR 516 HG22 THR 516 14.435 0.806 3.032 348 HG23 THR 516 HG23 THR 516 12.931 1.227 3.853 349 H LEU 517 H LEU 517 9.930 3.717 1.074 350 HA LEU 517 HA LEU 517 11.107 5.018 -1.221 351 HB2 LEU 517 HB3 LEU 517 9.039 3.494 -1.213 352 HB3 LEU 517 HB2 LEU 517 8.170 4.883 -0.557 353 HG LEU 517 HG LEU 517 9.519 6.052 -2.604 354 HD11 LEU 517 HD11 LEU 517 8.763 3.263 -3.528 355 HD12 LEU 517 HD12 LEU 517 10.408 3.877 -3.373 356 HD13 LEU 517 HD13 LEU 517 9.316 4.575 -4.569 357 HD21 LEU 517 HD21 LEU 517 6.810 4.691 -2.609 358 HD22 LEU 517 HD22 LEU 517 7.339 5.804 -3.873 359 HD23 LEU 517 HD23 LEU 517 7.158 6.375 -2.214 360 H ARG 518 H ARG 518 11.593 7.111 -1.292 361 HA ARG 518 HA ARG 518 10.443 8.931 0.701 362 HB2 ARG 518 HB3 ARG 518 12.946 8.769 -0.795 363 HB3 ARG 518 HB2 ARG 518 12.241 10.385 -0.822 364 HG2 ARG 518 HG3 ARG 518 12.174 10.490 1.575 365 HG3 ARG 518 HG2 ARG 518 12.569 8.777 1.721 366 HD2 ARG 518 HD3 ARG 518 14.790 9.134 1.407 367 HD3 ARG 518 HD2 ARG 518 14.515 10.342 0.156 368 HE ARG 518 HE ARG 518 13.760 11.623 2.443 369 HH11 ARG 518 HH21 ARG 518 16.556 9.846 1.442 370 HH12 ARG 518 HH22 ARG 518 17.654 10.748 2.430 371 HH21 ARG 518 HH11 ARG 518 15.195 12.810 3.742 372 HH22 ARG 518 HH12 ARG 518 16.883 12.427 3.734 373 H GLU 519 H GLU 519 10.418 8.252 -2.717 374 HA GLU 519 HA GLU 519 9.483 10.674 -3.745 375 HB2 GLU 519 HB3 GLU 519 9.261 7.813 -4.574 376 HB3 GLU 519 HB2 GLU 519 8.254 9.007 -5.396 377 HG2 GLU 519 HG3 GLU 519 10.500 8.619 -6.484 378 HG3 GLU 519 HG2 GLU 519 10.184 10.297 -6.045 379 H ARG 520 H ARG 520 7.910 11.745 -2.649 380 HA ARG 520 HA ARG 520 5.617 10.461 -1.516 381 HB2 ARG 520 HB3 ARG 520 6.566 13.264 -1.869 382 HB3 ARG 520 HB2 ARG 520 4.841 13.014 -1.592 383 HG2 ARG 520 HG3 ARG 520 5.318 11.749 0.446 384 HG3 ARG 520 HG2 ARG 520 7.053 11.891 0.155 385 HD2 ARG 520 HD3 ARG 520 5.392 14.384 0.278 386 HD3 ARG 520 HD2 ARG 520 5.836 13.579 1.782 387 HE ARG 520 HE ARG 520 8.156 13.841 0.216 388 HH11 ARG 520 HH21 ARG 520 5.813 15.773 1.874 389 HH12 ARG 520 HH22 ARG 520 6.917 17.062 2.217 390 HH21 ARG 520 HH11 ARG 520 9.609 15.530 0.660 391 HH22 ARG 520 HH12 ARG 520 9.064 16.925 1.529 392 H HIS 521 H HIS 521 6.360 11.982 -4.583 393 HA HIS 521 HA HIS 521 3.767 12.417 -5.554 394 HB2 HIS 521 HB3 HIS 521 6.057 13.078 -6.571 395 HB3 HIS 521 HB2 HIS 521 6.016 11.481 -7.319 396 HD1 HIS 521 HD1 HIS 521 2.965 13.650 -6.771 397 HD2 HIS 521 HD2 HIS 521 5.351 12.318 -9.919 398 HE1 HIS 521 HE1 HIS 521 1.775 14.318 -8.903 399 HE2 HIS 521 HE2 HIS 521 3.217 13.515 -10.832 400 H ILE 522 H ILE 522 5.863 9.555 -5.835 401 HA ILE 522 HA ILE 522 4.108 7.976 -7.362 402 HB ILE 522 HB ILE 522 6.329 7.325 -5.439 403 HG12 ILE 522 HG13 ILE 522 6.045 6.785 -8.406 404 HG13 ILE 522 HG12 ILE 522 6.706 8.294 -7.775 405 HG21 ILE 522 HG21 ILE 522 4.368 5.488 -6.789 406 HG22 ILE 522 HG22 ILE 522 5.033 5.397 -5.158 407 HG23 ILE 522 HG23 ILE 522 6.034 4.962 -6.544 408 HD11 ILE 522 HD11 ILE 522 8.156 5.983 -8.262 409 HD12 ILE 522 HD12 ILE 522 7.893 5.931 -6.520 410 HD13 ILE 522 HD13 ILE 522 8.682 7.328 -7.251 411 H LEU 523 H LEU 523 4.282 8.624 -3.918 412 HA LEU 523 HA LEU 523 2.620 6.550 -2.992 413 HB2 LEU 523 HB3 LEU 523 3.957 8.703 -1.846 414 HB3 LEU 523 HB2 LEU 523 2.255 9.053 -1.547 415 HG LEU 523 HG LEU 523 2.030 6.646 -0.733 416 HD11 LEU 523 HD11 LEU 523 3.809 5.262 -0.788 417 HD12 LEU 523 HD12 LEU 523 4.827 6.453 0.022 418 HD13 LEU 523 HD13 LEU 523 4.656 6.488 -1.733 419 HD21 LEU 523 HD21 LEU 523 1.995 8.142 1.031 420 HD22 LEU 523 HD22 LEU 523 3.555 8.845 0.602 421 HD23 LEU 523 HD23 LEU 523 3.486 7.282 1.414 422 H GLN 524 H GLN 524 1.871 9.778 -4.240 423 HA GLN 524 HA GLN 524 -0.878 9.810 -3.647 424 HB2 GLN 524 HB3 GLN 524 0.910 11.248 -5.539 425 HB3 GLN 524 HB2 GLN 524 -0.821 11.299 -5.873 426 HG2 GLN 524 HG3 GLN 524 -1.311 12.376 -3.853 427 HG3 GLN 524 HG2 GLN 524 0.184 11.840 -3.091 428 HE21 GLN 524 HE21 GLN 524 -1.271 14.546 -4.452 429 HE22 GLN 524 HE22 GLN 524 0.128 15.420 -4.848 430 H GLN 525 H GLN 525 0.873 8.645 -6.511 431 HA GLN 525 HA GLN 525 -1.379 7.952 -8.058 432 HB2 GLN 525 HB3 GLN 525 1.450 6.890 -8.010 433 HB3 GLN 525 HB2 GLN 525 0.249 6.365 -9.189 434 HG2 GLN 525 HG3 GLN 525 -0.065 8.696 -9.922 435 HG3 GLN 525 HG2 GLN 525 1.127 9.232 -8.739 436 HE21 GLN 525 HE21 GLN 525 3.404 8.429 -9.063 437 HE22 GLN 525 HE22 GLN 525 3.918 8.022 -10.628 438 H ILE 526 H ILE 526 0.580 6.041 -5.785 439 HA ILE 526 HA ILE 526 -0.712 3.581 -6.098 440 HB ILE 526 HB ILE 526 0.667 4.849 -3.733 441 HG12 ILE 526 HG13 ILE 526 1.488 2.455 -5.383 442 HG13 ILE 526 HG12 ILE 526 1.866 4.098 -5.900 443 HG21 ILE 526 HG21 ILE 526 0.683 2.346 -2.962 444 HG22 ILE 526 HG22 ILE 526 -0.742 2.203 -3.992 445 HG23 ILE 526 HG23 ILE 526 -0.742 3.332 -2.636 446 HD11 ILE 526 HD11 ILE 526 3.638 2.879 -4.484 447 HD12 ILE 526 HD12 ILE 526 2.540 3.128 -3.125 448 HD13 ILE 526 HD13 ILE 526 3.199 4.513 -3.993 449 H VAL 527 H VAL 527 -1.370 6.174 -3.741 450 HA VAL 527 HA VAL 527 -3.458 5.122 -2.338 451 HB VAL 527 HB VAL 527 -3.352 7.940 -3.440 452 HG11 VAL 527 HG11 VAL 527 -4.805 6.671 -1.104 453 HG12 VAL 527 HG12 VAL 527 -5.531 7.460 -2.505 454 HG13 VAL 527 HG13 VAL 527 -4.637 8.414 -1.321 455 HG21 VAL 527 HG21 VAL 527 -2.554 7.648 -0.691 456 HG22 VAL 527 HG22 VAL 527 -1.621 8.289 -2.040 457 HG23 VAL 527 HG23 VAL 527 -1.589 6.561 -1.689 458 H ASN 528 H ASN 528 -3.664 6.657 -5.541 459 HA ASN 528 HA ASN 528 -6.448 6.426 -5.884 460 HB2 ASN 528 HB3 ASN 528 -4.876 7.780 -7.309 461 HB3 ASN 528 HB2 ASN 528 -4.359 6.275 -8.064 462 HD21 ASN 528 HD21 ASN 528 -5.409 6.008 -10.029 463 HD22 ASN 528 HD22 ASN 528 -7.030 6.410 -10.331 464 H LEU 529 H LEU 529 -3.807 4.194 -6.678 465 HA LEU 529 HA LEU 529 -5.213 2.260 -8.071 466 HB2 LEU 529 HB3 LEU 529 -2.718 2.333 -7.590 467 HB3 LEU 529 HB2 LEU 529 -3.093 1.672 -5.998 468 HG LEU 529 HG LEU 529 -4.457 -0.090 -7.440 469 HD11 LEU 529 HD11 LEU 529 -3.968 1.021 -9.585 470 HD12 LEU 529 HD12 LEU 529 -3.278 -0.600 -9.538 471 HD13 LEU 529 HD13 LEU 529 -2.244 0.807 -9.300 472 HD21 LEU 529 HD21 LEU 529 -1.576 0.052 -6.668 473 HD22 LEU 529 HD22 LEU 529 -2.082 -1.299 -7.674 474 HD23 LEU 529 HD23 LEU 529 -2.832 -1.044 -6.099 475 H ILE 530 H ILE 530 -4.483 2.192 -4.592 476 HA ILE 530 HA ILE 530 -6.018 0.063 -3.793 477 HB ILE 530 HB ILE 530 -6.004 2.615 -2.192 478 HG12 ILE 530 HG13 ILE 530 -3.729 2.414 -2.968 479 HG13 ILE 530 HG12 ILE 530 -3.761 1.764 -1.329 480 HG21 ILE 530 HG21 ILE 530 -7.014 0.134 -1.659 481 HG22 ILE 530 HG22 ILE 530 -6.450 1.258 -0.422 482 HG23 ILE 530 HG23 ILE 530 -5.385 -0.019 -1.000 483 HD11 ILE 530 HD11 ILE 530 -4.164 -0.525 -2.428 484 HD12 ILE 530 HD12 ILE 530 -2.546 0.153 -2.582 485 HD13 ILE 530 HD13 ILE 530 -3.671 0.240 -3.937 486 H GLU 531 H GLU 531 -7.105 3.384 -4.383 487 HA GLU 531 HA GLU 531 -9.802 2.887 -3.565 488 HB2 GLU 531 HB3 GLU 531 -8.407 5.108 -5.024 489 HB3 GLU 531 HB2 GLU 531 -10.168 5.061 -4.967 490 HG2 GLU 531 HG3 GLU 531 -8.739 4.615 -2.395 491 HG3 GLU 531 HG2 GLU 531 -8.692 6.249 -3.050 492 H GLU 532 H GLU 532 -8.001 2.503 -6.506 493 HA GLU 532 HA GLU 532 -10.135 2.424 -8.357 494 HB2 GLU 532 HB3 GLU 532 -7.573 2.482 -8.774 495 HB3 GLU 532 HB2 GLU 532 -7.668 0.726 -8.636 496 HG2 GLU 532 HG3 GLU 532 -9.526 0.799 -10.364 497 HG3 GLU 532 HG2 GLU 532 -9.122 2.497 -10.613 498 H THR 533 H THR 533 -8.554 -0.157 -6.476 499 HA THR 533 HA THR 533 -10.223 -2.232 -7.536 500 HB THR 533 HB THR 533 -8.063 -2.865 -6.690 501 HG1 THR 533 HG1 THR 533 -8.739 -4.540 -5.532 502 HG21 THR 533 HG21 THR 533 -8.998 -1.578 -4.109 503 HG22 THR 533 HG22 THR 533 -7.675 -1.034 -5.138 504 HG23 THR 533 HG23 THR 533 -7.536 -2.552 -4.250 505 H GLY 534 H GLY 534 -11.049 0.307 -5.708 506 HA2 GLY 534 HA3 GLY 534 -12.720 0.780 -4.193 507 HA3 GLY 534 HA2 GLY 534 -13.586 -0.509 -5.021 508 H HIS 535 H HIS 535 -10.596 -1.185 -3.388 509 HA HIS 535 HA HIS 535 -12.092 -2.490 -1.189 510 HB2 HIS 535 HB3 HIS 535 -10.603 -3.761 -3.168 511 HB3 HIS 535 HB2 HIS 535 -9.519 -3.715 -1.776 512 HD1 HIS 535 HD1 HIS 535 -10.162 -5.096 0.289 513 HD2 HIS 535 HD2 HIS 535 -13.036 -5.233 -2.730 514 HE1 HIS 535 HE1 HIS 535 -11.808 -6.908 0.948 515 HE2 HIS 535 HE2 HIS 535 -13.564 -7.006 -0.886 516 H PHE 536 H PHE 536 -11.763 -1.060 0.444 517 HA PHE 536 HA PHE 536 -9.241 -1.000 1.741 518 HB2 PHE 536 HB3 PHE 536 -8.740 1.403 1.503 519 HB3 PHE 536 HB2 PHE 536 -8.639 0.558 -0.040 520 HD1 PHE 536 HD1 PHE 536 -10.653 2.882 2.009 521 HD2 PHE 536 HD2 PHE 536 -10.242 0.952 -1.804 522 HE1 PHE 536 HE1 PHE 536 -12.347 4.419 1.049 523 HE2 PHE 536 HE2 PHE 536 -11.932 2.484 -2.762 524 HZ PHE 536 HZ PHE 536 -12.989 4.218 -1.337 525 H HIS 537 H HIS 537 -9.316 1.048 3.389 526 HA HIS 537 HA HIS 537 -12.075 1.309 4.392 527 HB2 HIS 537 HB3 HIS 537 -9.884 -0.176 5.623 528 HB3 HIS 537 HB2 HIS 537 -10.537 1.072 6.686 529 HD1 HIS 537 HD1 HIS 537 -13.223 1.005 7.014 530 HD2 HIS 537 HD2 HIS 537 -11.501 -2.426 5.388 531 HE1 HIS 537 HE1 HIS 537 -14.942 -0.841 7.251 532 HE2 HIS 537 HE2 HIS 537 -13.907 -2.940 6.263 533 H ILE 538 H ILE 538 -12.269 3.471 4.039 534 HA ILE 538 HA ILE 538 -10.113 5.262 4.853 535 HB ILE 538 HB ILE 538 -11.201 5.633 2.682 536 HG12 ILE 538 HG13 ILE 538 -12.273 7.988 3.983 537 HG13 ILE 538 HG12 ILE 538 -10.730 7.529 4.707 538 HG21 ILE 538 HG21 ILE 538 -13.695 6.494 4.110 539 HG22 ILE 538 HG22 ILE 538 -13.471 4.788 3.724 540 HG23 ILE 538 HG23 ILE 538 -13.487 5.990 2.434 541 HD11 ILE 538 HD11 ILE 538 -10.493 9.055 2.726 542 HD12 ILE 538 HD12 ILE 538 -11.189 7.777 1.726 543 HD13 ILE 538 HD13 ILE 538 -9.649 7.516 2.545 544 H THR 539 H THR 539 -10.070 6.058 6.845 545 HA THR 539 HA THR 539 -12.387 5.885 8.575 546 HB THR 539 HB THR 539 -9.892 7.343 9.344 547 HG1 THR 539 HG1 THR 539 -10.174 4.589 8.818 548 HG21 THR 539 HG21 THR 539 -10.441 6.622 11.491 549 HG22 THR 539 HG22 THR 539 -11.333 5.222 10.900 550 HG23 THR 539 HG23 THR 539 -12.035 6.834 10.768 551 H ASN 540 H ASN 540 -13.337 7.682 9.664 552 HA ASN 540 HA ASN 540 -13.875 9.903 7.978 553 HB2 ASN 540 HB3 ASN 540 -14.765 8.904 10.570 554 HB3 ASN 540 HB2 ASN 540 -14.667 10.664 10.523 555 HD21 ASN 540 HD21 ASN 540 -15.885 11.760 8.712 556 HD22 ASN 540 HD22 ASN 540 -17.256 10.994 8.068 557 H THR 541 H THR 541 -11.228 9.237 9.917 558 HA THR 541 HA THR 541 -10.404 12.061 9.839 559 HB THR 541 HB THR 541 -9.491 11.897 12.120 560 HG1 THR 541 HG1 THR 541 -10.841 9.403 12.131 561 HG21 THR 541 HG21 THR 541 -12.418 11.122 12.048 562 HG22 THR 541 HG22 THR 541 -11.816 12.742 11.698 563 HG23 THR 541 HG23 THR 541 -11.599 12.049 13.305 564 H THR 542 H THR 542 -9.815 9.195 8.665 565 HA THR 542 HA THR 542 -7.047 9.678 8.163 566 HB THR 542 HB THR 542 -7.346 7.073 9.550 567 HG1 THR 542 HG1 THR 542 -7.046 8.089 11.561 568 HG21 THR 542 HG21 THR 542 -5.235 7.826 8.503 569 HG22 THR 542 HG22 THR 542 -5.055 7.618 10.245 570 HG23 THR 542 HG23 THR 542 -5.223 9.236 9.563 571 H PHE 543 H PHE 543 -6.068 7.826 6.902 572 HA PHE 543 HA PHE 543 -8.124 6.244 5.507 573 HB2 PHE 543 HB3 PHE 543 -7.802 7.948 3.945 574 HB3 PHE 543 HB2 PHE 543 -6.089 8.108 4.329 575 HD1 PHE 543 HD1 PHE 543 -8.499 5.495 3.114 576 HD2 PHE 543 HD2 PHE 543 -4.556 7.186 2.832 577 HE1 PHE 543 HE1 PHE 543 -7.943 3.906 1.289 578 HE2 PHE 543 HE2 PHE 543 -4.006 5.601 1.010 579 HZ PHE 543 HZ PHE 543 -5.697 3.960 0.238 580 H ASP 544 H ASP 544 -7.642 4.162 5.704 581 HA ASP 544 HA ASP 544 -4.833 3.313 5.446 582 HB2 ASP 544 HB3 ASP 544 -5.285 1.647 7.306 583 HB3 ASP 544 HB2 ASP 544 -5.120 3.327 7.806 584 H PHE 545 H PHE 545 -4.610 0.999 4.985 585 HA PHE 545 HA PHE 545 -7.009 -0.392 4.076 586 HB2 PHE 545 HB3 PHE 545 -6.059 -0.757 1.789 587 HB3 PHE 545 HB2 PHE 545 -6.532 0.910 2.102 588 HD1 PHE 545 HD2 PHE 545 -4.646 2.478 3.071 589 HD2 PHE 545 HD1 PHE 545 -3.911 -1.201 0.974 590 HE1 PHE 545 HE2 PHE 545 -2.340 3.225 2.570 591 HE2 PHE 545 HE1 PHE 545 -1.607 -0.445 0.457 592 HZ PHE 545 HZ PHE 545 -0.818 1.767 1.265 593 H ASP 546 H ASP 546 -6.764 -2.592 3.982 594 HA ASP 546 HA ASP 546 -4.392 -3.651 5.272 595 HB2 ASP 546 HB3 ASP 546 -6.199 -5.697 4.397 596 HB3 ASP 546 HB2 ASP 546 -5.831 -5.177 6.041 597 H LEU 547 H LEU 547 -2.648 -4.049 4.067 598 HA LEU 547 HA LEU 547 -2.512 -4.328 1.298 599 HB2 LEU 547 HB3 LEU 547 -0.753 -5.024 3.587 600 HB3 LEU 547 HB2 LEU 547 -0.367 -5.769 2.040 601 HG LEU 547 HG LEU 547 0.788 -3.551 2.483 602 HD11 LEU 547 HD11 LEU 547 0.967 -3.508 0.261 603 HD12 LEU 547 HD12 LEU 547 -0.618 -2.731 0.151 604 HD13 LEU 547 HD13 LEU 547 -0.495 -4.488 0.115 605 HD21 LEU 547 HD21 LEU 547 -1.853 -2.255 1.876 606 HD22 LEU 547 HD22 LEU 547 -0.410 -1.557 2.594 607 HD23 LEU 547 HD23 LEU 547 -1.419 -2.653 3.535 608 H CYS 548 H CYS 548 -3.217 -6.719 3.768 609 HA CYS 548 HA CYS 548 -2.944 -9.000 2.059 610 HB2 CYS 548 HB3 CYS 548 -3.087 -10.019 4.046 611 HB3 CYS 548 HB2 CYS 548 -3.548 -8.499 4.814 612 HG CYS 548 HG CYS 548 -5.880 -9.314 4.939 613 H SER 549 H SER 549 -5.232 -6.527 2.242 614 HA SER 549 HA SER 549 -7.393 -8.207 1.157 615 HB2 SER 549 HB3 SER 549 -8.184 -6.800 2.915 616 HB3 SER 549 HB2 SER 549 -7.362 -5.391 2.255 617 HG SER 549 HG SER 549 -9.524 -6.826 1.108 618 H LEU 550 H LEU 550 -4.912 -7.376 -0.317 619 HA LEU 550 HA LEU 550 -6.101 -5.674 -2.404 620 HB2 LEU 550 HB3 LEU 550 -3.283 -6.311 -1.602 621 HB3 LEU 550 HB2 LEU 550 -3.608 -5.832 -3.264 622 HG LEU 550 HG LEU 550 -3.008 -3.917 -1.712 623 HD11 LEU 550 HD11 LEU 550 -5.099 -4.086 -3.648 624 HD12 LEU 550 HD12 LEU 550 -4.127 -2.691 -3.216 625 HD13 LEU 550 HD13 LEU 550 -5.635 -3.009 -2.365 626 HD21 LEU 550 HD21 LEU 550 -4.432 -5.029 0.151 627 HD22 LEU 550 HD22 LEU 550 -5.791 -4.214 -0.622 628 HD23 LEU 550 HD23 LEU 550 -4.443 -3.274 0.015 629 H ASP 551 H ASP 551 -6.320 -6.350 -4.496 630 HA ASP 551 HA ASP 551 -6.388 -9.220 -4.912 631 HB2 ASP 551 HB3 ASP 551 -7.045 -6.975 -6.831 632 HB3 ASP 551 HB2 ASP 551 -7.467 -8.677 -7.022 633 H LYS 552 H LYS 552 -5.565 -10.059 -7.062 634 HA LYS 552 HA LYS 552 -2.783 -9.876 -7.175 635 HB2 LYS 552 HB3 LYS 552 -4.343 -10.578 -9.637 636 HB3 LYS 552 HB2 LYS 552 -2.889 -11.328 -8.982 637 HG2 LYS 552 HG3 LYS 552 -4.392 -12.924 -8.306 638 HG3 LYS 552 HG2 LYS 552 -4.572 -11.829 -6.939 639 HD2 LYS 552 HD3 LYS 552 -6.378 -10.688 -8.528 640 HD3 LYS 552 HD2 LYS 552 -6.414 -12.294 -9.254 641 HE2 LYS 552 HE3 LYS 552 -6.859 -13.289 -7.040 642 HE3 LYS 552 HE2 LYS 552 -6.829 -11.683 -6.313 643 HZ1 LYS 552 HZ1 LYS 552 -8.992 -12.962 -7.464 644 HZ2 LYS 552 HZ2 LYS 552 -8.570 -11.716 -8.539 645 HZ3 LYS 552 HZ3 LYS 552 -8.918 -11.360 -6.914 646 H THR 553 H THR 553 -5.258 -8.193 -9.086 647 HA THR 553 HA THR 553 -3.603 -6.923 -10.940 648 HB THR 553 HB THR 553 -5.956 -5.495 -9.743 649 HG1 THR 553 HG1 THR 553 -5.875 -7.992 -10.939 650 HG21 THR 553 HG21 THR 553 -4.661 -4.508 -11.622 651 HG22 THR 553 HG22 THR 553 -6.323 -4.879 -12.080 652 HG23 THR 553 HG23 THR 553 -5.010 -5.941 -12.588 653 H THR 554 H THR 554 -4.820 -5.590 -7.850 654 HA THR 554 HA THR 554 -3.404 -3.211 -7.844 655 HB THR 554 HB THR 554 -3.491 -3.505 -5.282 656 HG1 THR 554 HG1 THR 554 -5.319 -5.433 -5.407 657 HG21 THR 554 HG21 THR 554 -6.199 -3.813 -5.681 658 HG22 THR 554 HG22 THR 554 -5.647 -3.264 -7.262 659 HG23 THR 554 HG23 THR 554 -5.323 -2.291 -5.825 660 H VAL 555 H VAL 555 -2.390 -6.240 -6.227 661 HA VAL 555 HA VAL 555 0.131 -5.441 -5.413 662 HB VAL 555 HB VAL 555 -0.640 -8.188 -6.432 663 HG11 VAL 555 HG11 VAL 555 1.155 -8.251 -4.232 664 HG12 VAL 555 HG12 VAL 555 1.810 -7.094 -5.393 665 HG13 VAL 555 HG13 VAL 555 1.472 -8.751 -5.893 666 HG21 VAL 555 HG21 VAL 555 -1.489 -6.631 -4.131 667 HG22 VAL 555 HG22 VAL 555 -0.643 -8.094 -3.619 668 HG23 VAL 555 HG23 VAL 555 -2.057 -8.212 -4.671 669 H ARG 556 H ARG 556 -0.824 -6.814 -8.556 670 HA ARG 556 HA ARG 556 1.743 -6.951 -9.696 671 HB2 ARG 556 HB3 ARG 556 -0.968 -6.544 -10.974 672 HB3 ARG 556 HB2 ARG 556 0.512 -6.870 -11.878 673 HG2 ARG 556 HG3 ARG 556 0.062 -8.713 -9.631 674 HG3 ARG 556 HG2 ARG 556 -1.172 -8.805 -10.889 675 HD2 ARG 556 HD3 ARG 556 0.904 -10.293 -11.179 676 HD3 ARG 556 HD2 ARG 556 0.411 -9.326 -12.562 677 HE ARG 556 HE ARG 556 2.219 -7.745 -11.229 678 HH11 ARG 556 HH21 ARG 556 2.166 -10.949 -12.534 679 HH12 ARG 556 HH22 ARG 556 3.861 -10.981 -12.890 680 HH21 ARG 556 HH11 ARG 556 4.443 -7.780 -11.690 681 HH22 ARG 556 HH12 ARG 556 5.149 -9.187 -12.411 682 H LYS 557 H LYS 557 -0.681 -4.339 -9.741 683 HA LYS 557 HA LYS 557 0.784 -2.584 -11.412 684 HB2 LYS 557 HB3 LYS 557 -1.661 -2.530 -9.874 685 HB3 LYS 557 HB2 LYS 557 -0.774 -1.019 -9.668 686 HG2 LYS 557 HG3 LYS 557 -1.307 -2.268 -12.378 687 HG3 LYS 557 HG2 LYS 557 -2.365 -1.065 -11.646 688 HD2 LYS 557 HD3 LYS 557 -0.974 0.621 -12.190 689 HD3 LYS 557 HD2 LYS 557 0.420 -0.232 -11.529 690 HE2 LYS 557 HE3 LYS 557 0.645 -1.531 -13.589 691 HE3 LYS 557 HE2 LYS 557 -0.805 -0.773 -14.249 692 HZ1 LYS 557 HZ1 LYS 557 1.800 0.494 -13.641 693 HZ2 LYS 557 HZ2 LYS 557 0.389 1.401 -13.909 694 HZ3 LYS 557 HZ3 LYS 557 1.006 0.403 -15.137 695 H LEU 558 H LEU 558 0.664 -3.028 -7.915 696 HA LEU 558 HA LEU 558 2.234 -0.794 -7.197 697 HB2 LEU 558 HB3 LEU 558 1.826 -3.462 -5.834 698 HB3 LEU 558 HB2 LEU 558 2.655 -2.100 -5.091 699 HG LEU 558 HG LEU 558 -0.152 -1.899 -6.214 700 HD11 LEU 558 HD11 LEU 558 -0.768 -3.230 -4.486 701 HD12 LEU 558 HD12 LEU 558 -0.378 -1.851 -3.458 702 HD13 LEU 558 HD13 LEU 558 0.819 -3.117 -3.726 703 HD21 LEU 558 HD21 LEU 558 0.622 0.291 -5.926 704 HD22 LEU 558 HD22 LEU 558 1.650 -0.136 -4.561 705 HD23 LEU 558 HD23 LEU 558 -0.095 -0.027 -4.350 706 H GLN 559 H GLN 559 3.096 -4.150 -7.957 707 HA GLN 559 HA GLN 559 5.838 -4.000 -7.389 708 HB2 GLN 559 HB3 GLN 559 4.119 -5.733 -9.100 709 HB3 GLN 559 HB2 GLN 559 5.863 -5.787 -9.364 710 HG2 GLN 559 HG3 GLN 559 6.303 -6.542 -7.190 711 HG3 GLN 559 HG2 GLN 559 4.757 -5.963 -6.575 712 HE21 GLN 559 HE21 GLN 559 5.459 -8.006 -9.456 713 HE22 GLN 559 HE22 GLN 559 4.492 -9.305 -8.949 714 H SER 560 H SER 560 4.021 -3.196 -10.318 715 HA SER 560 HA SER 560 6.299 -2.635 -11.935 716 HB2 SER 560 HB3 SER 560 3.403 -2.469 -12.178 717 HB3 SER 560 HB2 SER 560 4.208 -1.095 -12.933 718 HG SER 560 HG SER 560 4.354 -2.564 -14.484 719 H TYR 561 H TYR 561 4.139 -0.619 -9.962 720 HA TYR 561 HA TYR 561 5.025 1.907 -10.617 721 HB2 TYR 561 HB3 TYR 561 3.820 0.667 -8.229 722 HB3 TYR 561 HB2 TYR 561 4.721 2.148 -7.913 723 HD1 TYR 561 HD2 TYR 561 4.309 4.041 -9.814 724 HD2 TYR 561 HD1 TYR 561 1.556 0.925 -8.733 725 HE1 TYR 561 HE2 TYR 561 2.435 5.381 -10.730 726 HE2 TYR 561 HE1 TYR 561 -0.317 2.264 -9.651 727 HH TYR 561 HH TYR 561 0.012 4.715 -11.711 728 H LEU 562 H LEU 562 6.450 -0.327 -8.242 729 HA LEU 562 HA LEU 562 8.558 1.415 -7.464 730 HB2 LEU 562 HB3 LEU 562 8.190 -1.575 -7.269 731 HB3 LEU 562 HB2 LEU 562 9.613 -0.748 -6.633 732 HG LEU 562 HG LEU 562 7.044 0.483 -5.868 733 HD11 LEU 562 HD11 LEU 562 6.267 -1.774 -5.689 734 HD12 LEU 562 HD12 LEU 562 6.731 -1.289 -4.059 735 HD13 LEU 562 HD13 LEU 562 7.801 -2.319 -5.010 736 HD21 LEU 562 HD21 LEU 562 9.307 1.126 -5.007 737 HD22 LEU 562 HD22 LEU 562 9.437 -0.467 -4.261 738 HD23 LEU 562 HD23 LEU 562 8.192 0.660 -3.723 739 H GLU 563 H GLU 563 8.380 -1.244 -9.817 740 HA GLU 563 HA GLU 563 11.037 -1.353 -10.605 741 HB2 GLU 563 HB3 GLU 563 8.483 -1.775 -12.159 742 HB3 GLU 563 HB2 GLU 563 10.077 -2.053 -12.864 743 HG2 GLU 563 HG3 GLU 563 9.586 -3.271 -10.197 744 HG3 GLU 563 HG2 GLU 563 8.705 -3.976 -11.553 745 H THR 564 H THR 564 8.523 0.347 -12.486 746 HA THR 564 HA THR 564 10.514 1.996 -13.773 747 HB THR 564 HB THR 564 8.446 1.176 -14.925 748 HG1 THR 564 HG1 THR 564 8.552 2.900 -16.124 749 HG21 THR 564 HG21 THR 564 7.107 1.824 -12.711 750 HG22 THR 564 HG22 THR 564 6.328 1.835 -14.294 751 HG23 THR 564 HG23 THR 564 6.897 3.344 -13.581 752 H SER 565 H SER 565 10.795 4.213 -13.548 753 HA SER 565 HA SER 565 9.494 5.464 -11.205 754 HB2 SER 565 HB3 SER 565 12.084 6.595 -11.681 755 HB3 SER 565 HB2 SER 565 11.482 5.789 -10.235 756 HG SER 565 HG SER 565 12.068 4.138 -12.372 757 H GLY 566 H GLY 566 10.131 5.579 -14.498 758 HA2 GLY 566 HA3 GLY 566 9.980 7.226 -16.116 759 HA3 GLY 566 HA2 GLY 566 8.625 7.769 -15.131 760 H THR 567 H THR 567 8.914 9.471 -13.659 761 HA THR 567 HA THR 567 9.727 11.527 -13.028 762 HB THR 567 HB THR 567 12.495 11.176 -12.940 763 HG1 THR 567 HG1 THR 567 12.479 9.043 -11.883 764 HG21 THR 567 HG21 THR 567 12.061 10.797 -10.517 765 HG22 THR 567 HG22 THR 567 10.351 10.573 -10.885 766 HG23 THR 567 HG23 THR 567 11.117 12.136 -11.169 767 H SER 568 H SER 568 9.405 12.962 -14.644 768 HA SER 568 HA SER 568 10.595 12.949 -17.176 769 HB2 SER 568 HB3 SER 568 8.644 14.304 -16.764 770 HB3 SER 568 HB2 SER 568 9.492 15.239 -15.537 771 HG SER 568 HG SER 568 9.855 15.197 -18.336 Start of MODEL 4 1 H1 THR 326 H1 THR 326 1.958 -23.761 13.975 2 H2 THR 326 H2 THR 326 1.789 -23.017 12.456 3 H3 THR 326 H3 THR 326 3.043 -24.131 12.726 4 HA THR 326 HA THR 326 1.359 -25.224 11.466 5 HB THR 326 HB THR 326 0.610 -26.423 14.016 6 HG1 THR 326 HG1 THR 326 3.375 -26.277 13.559 7 HG21 THR 326 HG21 THR 326 0.751 -27.564 11.803 8 HG22 THR 326 HG22 THR 326 1.739 -28.348 13.036 9 HG23 THR 326 HG23 THR 326 2.498 -27.320 11.822 10 H GLN 327 H GLN 327 0.236 -23.152 13.972 11 HA GLN 327 HA GLN 327 -2.547 -23.915 13.788 12 HB2 GLN 327 HB3 GLN 327 -1.067 -22.581 15.669 13 HB3 GLN 327 HB2 GLN 327 -1.919 -21.255 14.877 14 HG2 GLN 327 HG3 GLN 327 -3.394 -21.956 16.590 15 HG3 GLN 327 HG2 GLN 327 -4.038 -22.703 15.127 16 HE21 GLN 327 HE21 GLN 327 -4.972 -24.543 16.229 17 HE22 GLN 327 HE22 GLN 327 -4.010 -25.731 16.967 18 H GLY 328 H GLY 328 -0.834 -20.869 13.044 19 HA2 GLY 328 HA3 GLY 328 -1.942 -20.595 10.444 20 HA3 GLY 328 HA2 GLY 328 -2.878 -19.647 11.596 21 H GLY 329 H GLY 329 -0.163 -19.687 9.605 22 HA2 GLY 329 HA3 GLY 329 1.125 -17.454 11.046 23 HA3 GLY 329 HA2 GLY 329 1.901 -18.459 9.826 24 H ARG 330 H ARG 330 -0.640 -16.026 10.297 25 HA ARG 330 HA ARG 330 0.072 -14.821 7.739 26 HB2 ARG 330 HB3 ARG 330 -2.442 -14.726 7.166 27 HB3 ARG 330 HB2 ARG 330 -1.590 -16.243 6.879 28 HG2 ARG 330 HG3 ARG 330 -2.401 -17.139 9.006 29 HG3 ARG 330 HG2 ARG 330 -3.193 -15.606 9.372 30 HD2 ARG 330 HD3 ARG 330 -3.836 -17.042 6.814 31 HD3 ARG 330 HD2 ARG 330 -4.593 -17.557 8.318 32 HE ARG 330 HE ARG 330 -4.770 -14.706 7.776 33 HH11 ARG 330 HH21 ARG 330 -6.169 -17.854 7.442 34 HH12 ARG 330 HH22 ARG 330 -7.781 -17.264 7.210 35 HH21 ARG 330 HH11 ARG 330 -6.881 -13.926 7.472 36 HH22 ARG 330 HH12 ARG 330 -8.184 -15.040 7.227 37 HA PRO 331 HA PRO 331 -0.846 -11.964 11.381 38 HB2 PRO 331 HB3 PRO 331 1.267 -10.524 9.835 39 HB3 PRO 331 HB2 PRO 331 1.089 -10.722 11.589 40 HG2 PRO 331 HG3 PRO 331 2.892 -12.111 10.195 41 HG3 PRO 331 HG2 PRO 331 2.043 -12.805 11.588 42 HD2 PRO 331 HD3 PRO 331 1.670 -13.368 8.684 43 HD3 PRO 331 HD2 PRO 331 1.389 -14.425 10.087 44 H SER 332 H SER 332 -1.414 -9.579 11.184 45 HA SER 332 HA SER 332 -2.901 -9.150 8.671 46 HB2 SER 332 HB3 SER 332 -4.375 -7.749 9.911 47 HB3 SER 332 HB2 SER 332 -4.103 -9.169 10.917 48 HG SER 332 HG SER 332 -3.590 -7.675 12.328 49 H LEU 333 H LEU 333 -1.066 -8.371 7.502 50 HA LEU 333 HA LEU 333 0.421 -6.105 8.443 51 HB2 LEU 333 HB3 LEU 333 1.263 -7.853 6.805 52 HB3 LEU 333 HB2 LEU 333 0.223 -7.105 5.596 53 HG LEU 333 HG LEU 333 1.782 -5.063 6.939 54 HD11 LEU 333 HD11 LEU 333 4.004 -5.752 6.184 55 HD12 LEU 333 HD12 LEU 333 3.345 -7.265 5.569 56 HD13 LEU 333 HD13 LEU 333 3.368 -6.958 7.305 57 HD21 LEU 333 HD21 LEU 333 0.702 -4.872 4.732 58 HD22 LEU 333 HD22 LEU 333 1.768 -6.135 4.103 59 HD23 LEU 333 HD23 LEU 333 2.439 -4.585 4.611 60 H ILE 334 H ILE 334 -0.748 -4.304 8.775 61 HA ILE 334 HA ILE 334 -2.362 -3.279 6.519 62 HB ILE 334 HB ILE 334 -2.805 -2.806 9.471 63 HG12 ILE 334 HG13 ILE 334 -4.561 -4.302 7.510 64 HG13 ILE 334 HG12 ILE 334 -3.365 -5.117 8.518 65 HG21 ILE 334 HG21 ILE 334 -4.233 -1.884 6.964 66 HG22 ILE 334 HG22 ILE 334 -3.484 -0.874 8.204 67 HG23 ILE 334 HG23 ILE 334 -4.949 -1.786 8.576 68 HD11 ILE 334 HD11 ILE 334 -4.455 -4.424 10.533 69 HD12 ILE 334 HD12 ILE 334 -5.727 -5.028 9.471 70 HD13 ILE 334 HD13 ILE 334 -5.488 -3.292 9.663 71 H ALA 335 H ALA 335 -2.059 -1.207 5.882 72 HA ALA 335 HA ALA 335 0.165 0.258 7.164 73 HB1 ALA 335 HB1 ALA 335 -0.661 -0.175 4.367 74 HB2 ALA 335 HB2 ALA 335 0.941 0.147 5.035 75 HB3 ALA 335 HB3 ALA 335 -0.183 1.477 4.755 76 H ARG 336 H ARG 336 -0.224 2.166 8.072 77 HA ARG 336 HA ARG 336 -2.861 3.421 7.625 78 HB2 ARG 336 HB3 ARG 336 -1.069 3.614 10.054 79 HB3 ARG 336 HB2 ARG 336 -2.670 4.333 9.880 80 HG2 ARG 336 HG3 ARG 336 -3.364 1.847 9.298 81 HG3 ARG 336 HG2 ARG 336 -1.914 1.458 10.222 82 HD2 ARG 336 HD3 ARG 336 -2.815 2.969 12.052 83 HD3 ARG 336 HD2 ARG 336 -4.328 3.023 11.153 84 HE ARG 336 HE ARG 336 -4.756 0.836 11.829 85 HH11 ARG 336 HH21 ARG 336 -1.465 1.728 12.421 86 HH12 ARG 336 HH22 ARG 336 -1.103 0.309 13.348 87 HH21 ARG 336 HH11 ARG 336 -4.289 -1.025 13.045 88 HH22 ARG 336 HH12 ARG 336 -2.703 -1.248 13.702 89 H ILE 337 H ILE 337 -2.525 4.992 6.135 90 HA ILE 337 HA ILE 337 -0.189 6.727 6.479 91 HB ILE 337 HB ILE 337 -1.899 6.554 4.018 92 HG12 ILE 337 HG13 ILE 337 0.655 5.048 4.699 93 HG13 ILE 337 HG12 ILE 337 -0.944 4.319 4.558 94 HG21 ILE 337 HG21 ILE 337 0.119 7.539 2.989 95 HG22 ILE 337 HG22 ILE 337 0.931 7.501 4.553 96 HG23 ILE 337 HG23 ILE 337 -0.466 8.547 4.312 97 HD11 ILE 337 HD11 ILE 337 -0.026 3.925 2.440 98 HD12 ILE 337 HD12 ILE 337 0.791 5.487 2.397 99 HD13 ILE 337 HD13 ILE 337 -0.958 5.399 2.179 100 HA PRO 338 HA PRO 338 -3.238 9.801 7.728 101 HB2 PRO 338 HB3 PRO 338 -1.596 11.969 7.929 102 HB3 PRO 338 HB2 PRO 338 -1.649 10.681 9.147 103 HG2 PRO 338 HG3 PRO 338 0.329 11.160 6.980 104 HG3 PRO 338 HG2 PRO 338 0.582 10.581 8.636 105 HD2 PRO 338 HD3 PRO 338 0.546 8.928 6.434 106 HD3 PRO 338 HD2 PRO 338 0.142 8.387 8.082 107 H VAL 339 H VAL 339 -4.667 10.697 6.337 108 HA VAL 339 HA VAL 339 -4.278 11.219 3.653 109 HB VAL 339 HB VAL 339 -6.334 12.461 3.706 110 HG11 VAL 339 HG11 VAL 339 -7.110 10.821 5.966 111 HG12 VAL 339 HG12 VAL 339 -6.001 9.943 4.912 112 HG13 VAL 339 HG13 VAL 339 -7.495 10.612 4.257 113 HG21 VAL 339 HG21 VAL 339 -7.226 12.947 6.150 114 HG22 VAL 339 HG22 VAL 339 -6.139 14.090 5.360 115 HG23 VAL 339 HG23 VAL 339 -5.508 12.949 6.549 116 H ALA 340 H ALA 340 -3.447 13.198 6.402 117 HA ALA 340 HA ALA 340 -3.221 15.714 5.226 118 HB1 ALA 340 HB1 ALA 340 -1.763 16.284 7.032 119 HB2 ALA 340 HB2 ALA 340 -1.286 14.602 7.263 120 HB3 ALA 340 HB3 ALA 340 -2.920 15.119 7.674 121 H ARG 341 H ARG 341 -1.520 12.873 4.505 122 HA ARG 341 HA ARG 341 0.790 14.315 3.406 123 HB2 ARG 341 HB3 ARG 341 0.219 11.453 4.067 124 HB3 ARG 341 HB2 ARG 341 1.434 11.823 2.846 125 HG2 ARG 341 HG3 ARG 341 2.618 13.275 4.436 126 HG3 ARG 341 HG2 ARG 341 1.394 12.942 5.662 127 HD2 ARG 341 HD3 ARG 341 1.965 10.466 5.359 128 HD3 ARG 341 HD2 ARG 341 3.371 11.010 4.442 129 HE ARG 341 HE ARG 341 3.035 11.137 7.301 130 HH11 ARG 341 HH21 ARG 341 4.528 12.563 4.520 131 HH12 ARG 341 HH22 ARG 341 5.855 13.235 5.408 132 HH21 ARG 341 HH11 ARG 341 4.773 12.017 8.468 133 HH22 ARG 341 HH12 ARG 341 5.994 12.925 7.641 134 H ILE 342 H ILE 342 -1.627 11.912 2.369 135 HA ILE 342 HA ILE 342 -0.970 12.214 -0.411 136 HB ILE 342 HB ILE 342 -3.403 10.943 0.867 137 HG12 ILE 342 HG13 ILE 342 -1.300 9.210 -0.219 138 HG13 ILE 342 HG12 ILE 342 -0.751 10.177 1.144 139 HG21 ILE 342 HG21 ILE 342 -4.089 10.566 -1.243 140 HG22 ILE 342 HG22 ILE 342 -2.580 9.731 -1.581 141 HG23 ILE 342 HG23 ILE 342 -2.705 11.462 -1.859 142 HD11 ILE 342 HD11 ILE 342 -1.812 7.907 1.703 143 HD12 ILE 342 HD12 ILE 342 -3.346 8.635 1.234 144 HD13 ILE 342 HD13 ILE 342 -2.428 9.304 2.584 145 H LEU 343 H LEU 343 -3.914 12.994 1.461 146 HA LEU 343 HA LEU 343 -5.065 14.547 -0.628 147 HB2 LEU 343 HB3 LEU 343 -5.637 14.198 2.302 148 HB3 LEU 343 HB2 LEU 343 -6.504 15.410 1.365 149 HG LEU 343 HG LEU 343 -7.688 13.193 1.486 150 HD11 LEU 343 HD11 LEU 343 -8.583 13.559 -0.565 151 HD12 LEU 343 HD12 LEU 343 -7.041 13.301 -1.378 152 HD13 LEU 343 HD13 LEU 343 -7.421 14.879 -0.694 153 HD21 LEU 343 HD21 LEU 343 -5.501 12.191 -0.340 154 HD22 LEU 343 HD22 LEU 343 -6.775 11.260 0.450 155 HD23 LEU 343 HD23 LEU 343 -5.454 11.933 1.403 156 H GLY 344 H GLY 344 -2.918 15.256 2.034 157 HA2 GLY 344 HA3 GLY 344 -1.546 17.114 2.307 158 HA3 GLY 344 HA2 GLY 344 -2.313 17.848 0.902 159 H ASP 345 H ASP 345 -3.367 19.660 1.378 160 HA ASP 345 HA ASP 345 -5.286 19.764 3.521 161 HB2 ASP 345 HB3 ASP 345 -3.140 20.163 4.729 162 HB3 ASP 345 HB2 ASP 345 -2.870 21.576 3.709 163 HA PRO 346 HA PRO 346 -5.975 22.295 -0.403 164 HB2 PRO 346 HB3 PRO 346 -8.713 21.418 0.418 165 HB3 PRO 346 HB2 PRO 346 -7.994 21.505 -1.202 166 HG2 PRO 346 HG3 PRO 346 -8.296 19.181 0.066 167 HG3 PRO 346 HG2 PRO 346 -6.895 19.504 -0.968 168 HD2 PRO 346 HD3 PRO 346 -7.042 19.364 2.006 169 HD3 PRO 346 HD2 PRO 346 -5.674 19.014 0.926 170 H GLU 347 H GLU 347 -6.944 24.365 -0.543 171 HA GLU 347 HA GLU 347 -8.289 25.426 1.833 172 HB2 GLU 347 HB3 GLU 347 -5.751 26.608 0.678 173 HB3 GLU 347 HB2 GLU 347 -6.773 27.398 1.878 174 HG2 GLU 347 HG3 GLU 347 -6.463 25.230 3.269 175 HG3 GLU 347 HG2 GLU 347 -5.118 24.896 2.178 176 H GLU 348 H GLU 348 -9.442 24.852 -0.602 177 HA GLU 348 HA GLU 348 -9.528 26.631 -2.646 178 HB2 GLU 348 HB3 GLU 348 -11.763 25.226 -1.202 179 HB3 GLU 348 HB2 GLU 348 -12.089 26.266 -2.587 180 HG2 GLU 348 HG3 GLU 348 -11.724 23.782 -3.096 181 HG3 GLU 348 HG2 GLU 348 -10.770 24.924 -4.041 182 H GLU 349 H GLU 349 -9.871 28.745 -2.896 183 HA GLU 349 HA GLU 349 -10.793 30.296 -0.581 184 HB2 GLU 349 HB3 GLU 349 -9.376 31.052 -3.138 185 HB3 GLU 349 HB2 GLU 349 -10.000 32.246 -2.000 186 HG2 GLU 349 HG3 GLU 349 -8.270 30.025 -0.971 187 HG3 GLU 349 HG2 GLU 349 -7.511 31.390 -1.788 188 H1 MET 499 H1 MET 499 3.561 -24.008 1.540 189 H2 MET 499 H2 MET 499 3.632 -23.651 3.198 190 H3 MET 499 H3 MET 499 3.456 -22.399 2.063 191 HA MET 499 HA MET 499 1.377 -24.216 1.642 192 HB2 MET 499 HB3 MET 499 1.628 -23.265 4.512 193 HB3 MET 499 HB2 MET 499 0.276 -24.166 3.824 194 HG2 MET 499 HG3 MET 499 1.953 -25.987 3.224 195 HG3 MET 499 HG2 MET 499 3.116 -25.126 4.230 196 HE1 MET 499 HE1 MET 499 2.263 -25.742 7.735 197 HE2 MET 499 HE2 MET 499 2.398 -24.293 6.743 198 HE3 MET 499 HE3 MET 499 3.513 -25.632 6.488 199 H ASP 500 H ASP 500 1.328 -22.377 0.145 200 HA ASP 500 HA ASP 500 0.607 -20.308 -0.570 201 HB2 ASP 500 HB3 ASP 500 -1.348 -21.067 1.588 202 HB3 ASP 500 HB2 ASP 500 -1.515 -19.552 0.701 203 H LYS 501 H LYS 501 2.541 -19.203 0.078 204 HA LYS 501 HA LYS 501 2.025 -17.232 2.187 205 HB2 LYS 501 HB3 LYS 501 3.679 -19.409 2.668 206 HB3 LYS 501 HB2 LYS 501 4.802 -18.125 2.222 207 HG2 LYS 501 HG3 LYS 501 3.772 -16.633 3.886 208 HG3 LYS 501 HG2 LYS 501 2.635 -17.905 4.333 209 HD2 LYS 501 HD3 LYS 501 4.235 -19.150 5.429 210 HD3 LYS 501 HD2 LYS 501 5.544 -18.568 4.401 211 HE2 LYS 501 HE3 LYS 501 5.689 -17.664 6.718 212 HE3 LYS 501 HE2 LYS 501 5.497 -16.392 5.511 213 HZ1 LYS 501 HZ1 LYS 501 3.367 -17.552 7.222 214 HZ2 LYS 501 HZ2 LYS 501 3.090 -16.439 5.968 215 HZ3 LYS 501 HZ3 LYS 501 4.009 -15.985 7.324 216 H ALA 502 H ALA 502 4.133 -18.328 -0.433 217 HA ALA 502 HA ALA 502 5.754 -16.224 -0.938 218 HB1 ALA 502 HB1 ALA 502 5.459 -18.322 -2.346 219 HB2 ALA 502 HB2 ALA 502 5.762 -16.833 -3.244 220 HB3 ALA 502 HB3 ALA 502 4.127 -17.486 -3.146 221 H TYR 503 H TYR 503 2.298 -16.386 -1.699 222 HA TYR 503 HA TYR 503 2.111 -13.943 -3.088 223 HB2 TYR 503 HB3 TYR 503 0.236 -15.340 -3.291 224 HB3 TYR 503 HB2 TYR 503 0.139 -15.615 -1.552 225 HD1 TYR 503 HD1 TYR 503 0.367 -12.527 -3.686 226 HD2 TYR 503 HD2 TYR 503 -1.803 -14.672 -0.659 227 HE1 TYR 503 HE1 TYR 503 -1.206 -10.624 -3.466 228 HE2 TYR 503 HE2 TYR 503 -3.377 -12.768 -0.442 229 HH TYR 503 HH TYR 503 -4.154 -10.842 -1.998 230 H LEU 504 H LEU 504 1.713 -14.718 0.360 231 HA LEU 504 HA LEU 504 1.127 -12.029 1.142 232 HB2 LEU 504 HB3 LEU 504 1.505 -14.624 2.456 233 HB3 LEU 504 HB2 LEU 504 2.099 -13.262 3.405 234 HG LEU 504 HG LEU 504 -0.066 -12.125 3.161 235 HD11 LEU 504 HD11 LEU 504 -0.495 -14.358 1.257 236 HD12 LEU 504 HD12 LEU 504 -1.121 -12.710 1.217 237 HD13 LEU 504 HD13 LEU 504 -1.882 -13.919 2.253 238 HD21 LEU 504 HD21 LEU 504 0.296 -13.721 5.044 239 HD22 LEU 504 HD22 LEU 504 -0.399 -15.006 4.056 240 HD23 LEU 504 HD23 LEU 504 -1.397 -13.640 4.554 241 H ASP 505 H ASP 505 4.043 -14.054 1.237 242 HA ASP 505 HA ASP 505 5.797 -12.385 2.556 243 HB2 ASP 505 HB3 ASP 505 6.082 -14.752 1.343 244 HB3 ASP 505 HB2 ASP 505 6.816 -13.732 0.105 245 H GLU 506 H GLU 506 4.945 -12.350 -0.895 246 HA GLU 506 HA GLU 506 6.682 -10.299 -1.697 247 HB2 GLU 506 HB3 GLU 506 4.171 -11.491 -2.751 248 HB3 GLU 506 HB2 GLU 506 4.640 -9.913 -3.387 249 HG2 GLU 506 HG3 GLU 506 6.610 -12.190 -3.210 250 HG3 GLU 506 HG2 GLU 506 5.558 -11.989 -4.609 251 H LEU 507 H LEU 507 3.266 -10.109 -0.693 252 HA LEU 507 HA LEU 507 2.894 -7.379 -0.930 253 HB2 LEU 507 HB3 LEU 507 1.713 -9.510 0.780 254 HB3 LEU 507 HB2 LEU 507 1.389 -7.839 1.241 255 HG LEU 507 HG LEU 507 0.992 -8.876 -1.585 256 HD11 LEU 507 HD11 LEU 507 -1.432 -8.958 -1.002 257 HD12 LEU 507 HD12 LEU 507 -1.005 -8.681 0.686 258 HD13 LEU 507 HD13 LEU 507 -0.475 -10.154 -0.129 259 HD21 LEU 507 HD21 LEU 507 0.931 -6.282 -0.410 260 HD22 LEU 507 HD22 LEU 507 -0.735 -6.721 -0.769 261 HD23 LEU 507 HD23 LEU 507 0.473 -6.733 -2.051 262 H VAL 508 H VAL 508 4.061 -9.170 1.916 263 HA VAL 508 HA VAL 508 4.479 -6.918 3.560 264 HB VAL 508 HB VAL 508 6.022 -9.521 3.620 265 HG11 VAL 508 HG11 VAL 508 5.312 -8.390 6.172 266 HG12 VAL 508 HG12 VAL 508 6.130 -7.166 5.201 267 HG13 VAL 508 HG13 VAL 508 6.918 -8.711 5.519 268 HG21 VAL 508 HG21 VAL 508 4.041 -10.520 4.023 269 HG22 VAL 508 HG22 VAL 508 3.197 -8.969 4.008 270 HG23 VAL 508 HG23 VAL 508 3.929 -9.563 5.501 271 H GLU 509 H GLU 509 6.672 -8.690 1.407 272 HA GLU 509 HA GLU 509 8.996 -7.203 1.942 273 HB2 GLU 509 HB3 GLU 509 8.124 -8.693 -0.543 274 HB3 GLU 509 HB2 GLU 509 9.735 -8.013 -0.323 275 HG2 GLU 509 HG3 GLU 509 8.644 -9.758 1.846 276 HG3 GLU 509 HG2 GLU 509 9.196 -10.532 0.361 277 H LEU 510 H LEU 510 6.429 -6.732 -0.465 278 HA LEU 510 HA LEU 510 7.575 -4.563 -1.825 279 HB2 LEU 510 HB3 LEU 510 5.644 -5.809 -2.687 280 HB3 LEU 510 HB2 LEU 510 4.650 -5.203 -1.362 281 HG LEU 510 HG LEU 510 6.062 -3.083 -2.799 282 HD11 LEU 510 HD11 LEU 510 5.732 -4.429 -4.757 283 HD12 LEU 510 HD12 LEU 510 4.450 -3.218 -4.759 284 HD13 LEU 510 HD13 LEU 510 4.100 -4.871 -4.252 285 HD21 LEU 510 HD21 LEU 510 3.111 -3.558 -2.292 286 HD22 LEU 510 HD22 LEU 510 3.886 -2.018 -2.658 287 HD23 LEU 510 HD23 LEU 510 4.206 -2.822 -1.121 288 H HIS 511 H HIS 511 5.145 -4.571 0.794 289 HA HIS 511 HA HIS 511 5.028 -1.780 1.117 290 HB2 HIS 511 HB3 HIS 511 3.906 -4.071 2.368 291 HB3 HIS 511 HB2 HIS 511 4.604 -3.059 3.634 292 HD1 HIS 511 HD1 HIS 511 2.970 -1.948 0.382 293 HD2 HIS 511 HD2 HIS 511 2.404 -1.604 4.496 294 HE1 HIS 511 HE1 HIS 511 1.037 -0.343 0.706 295 HE2 HIS 511 HE2 HIS 511 0.693 -0.111 3.211 296 H ARG 512 H ARG 512 7.093 -4.232 2.628 297 HA ARG 512 HA ARG 512 8.310 -2.695 4.600 298 HB2 ARG 512 HB3 ARG 512 8.943 -5.157 3.129 299 HB3 ARG 512 HB2 ARG 512 10.362 -4.292 3.717 300 HG2 ARG 512 HG3 ARG 512 9.418 -4.238 5.983 301 HG3 ARG 512 HG2 ARG 512 7.965 -5.056 5.410 302 HD2 ARG 512 HD3 ARG 512 8.987 -7.018 5.810 303 HD3 ARG 512 HD2 ARG 512 10.119 -6.634 4.518 304 HE ARG 512 HE ARG 512 10.763 -5.461 7.098 305 HH11 ARG 512 HH21 ARG 512 11.108 -8.117 4.908 306 HH12 ARG 512 HH22 ARG 512 12.594 -8.674 5.599 307 HH21 ARG 512 HH11 ARG 512 12.714 -6.186 8.009 308 HH22 ARG 512 HH12 ARG 512 13.504 -7.581 7.356 309 H ARG 513 H ARG 513 9.135 -3.019 1.165 310 HA ARG 513 HA ARG 513 11.465 -1.404 1.256 311 HB2 ARG 513 HB3 ARG 513 9.597 -2.001 -1.050 312 HB3 ARG 513 HB2 ARG 513 11.201 -1.280 -1.198 313 HG2 ARG 513 HG3 ARG 513 10.991 -3.826 0.338 314 HG3 ARG 513 HG2 ARG 513 10.816 -3.924 -1.413 315 HD2 ARG 513 HD3 ARG 513 13.118 -2.565 0.011 316 HD3 ARG 513 HD2 ARG 513 13.182 -4.189 -0.665 317 HE ARG 513 HE ARG 513 13.169 -1.682 -2.158 318 HH11 ARG 513 HH21 ARG 513 12.820 -5.131 -2.156 319 HH12 ARG 513 HH22 ARG 513 13.154 -5.299 -3.847 320 HH21 ARG 513 HH11 ARG 513 13.598 -1.903 -4.373 321 HH22 ARG 513 HH12 ARG 513 13.591 -3.474 -5.100 322 H LEU 514 H LEU 514 8.067 -0.695 0.494 323 HA LEU 514 HA LEU 514 8.267 1.931 -0.330 324 HB2 LEU 514 HB3 LEU 514 6.183 0.301 0.997 325 HB3 LEU 514 HB2 LEU 514 6.002 2.044 1.182 326 HG LEU 514 HG LEU 514 6.223 2.272 -1.316 327 HD11 LEU 514 HD11 LEU 514 5.896 -0.740 -1.297 328 HD12 LEU 514 HD12 LEU 514 7.441 0.062 -1.571 329 HD13 LEU 514 HD13 LEU 514 6.110 0.299 -2.703 330 HD21 LEU 514 HD21 LEU 514 4.022 0.438 -0.319 331 HD22 LEU 514 HD22 LEU 514 3.959 1.394 -1.799 332 HD23 LEU 514 HD23 LEU 514 4.009 2.198 -0.230 333 H MET 515 H MET 515 8.136 0.704 2.999 334 HA MET 515 HA MET 515 7.984 2.995 4.473 335 HB2 MET 515 HB3 MET 515 9.847 0.656 4.948 336 HB3 MET 515 HB2 MET 515 9.426 1.871 6.154 337 HG2 MET 515 HG3 MET 515 7.057 0.775 4.862 338 HG3 MET 515 HG2 MET 515 8.020 -0.483 5.635 339 HE1 MET 515 HE1 MET 515 4.846 0.699 6.984 340 HE2 MET 515 HE2 MET 515 5.549 -0.323 8.236 341 HE3 MET 515 HE3 MET 515 5.802 -0.721 6.538 342 H THR 516 H THR 516 10.558 2.036 2.367 343 HA THR 516 HA THR 516 12.393 4.044 3.448 344 HB THR 516 HB THR 516 12.794 2.198 1.085 345 HG1 THR 516 HG1 THR 516 12.361 1.303 3.314 346 HG21 THR 516 HG21 THR 516 14.380 3.997 1.068 347 HG22 THR 516 HG22 THR 516 15.217 2.597 1.739 348 HG23 THR 516 HG23 THR 516 14.635 3.872 2.809 349 H LEU 517 H LEU 517 10.238 3.522 0.749 350 HA LEU 517 HA LEU 517 11.249 5.448 -1.026 351 HB2 LEU 517 HB3 LEU 517 9.432 3.667 -1.421 352 HB3 LEU 517 HB2 LEU 517 8.316 4.833 -0.711 353 HG LEU 517 HG LEU 517 9.748 6.366 -2.511 354 HD11 LEU 517 HD11 LEU 517 9.685 5.099 -4.627 355 HD12 LEU 517 HD12 LEU 517 9.152 3.664 -3.751 356 HD13 LEU 517 HD13 LEU 517 10.761 4.324 -3.464 357 HD21 LEU 517 HD21 LEU 517 7.648 6.253 -3.863 358 HD22 LEU 517 HD22 LEU 517 7.338 6.491 -2.143 359 HD23 LEU 517 HD23 LEU 517 7.119 4.898 -2.867 360 H ARG 518 H ARG 518 11.181 7.615 -1.032 361 HA ARG 518 HA ARG 518 9.649 8.950 1.107 362 HB2 ARG 518 HB3 ARG 518 12.288 9.391 -0.111 363 HB3 ARG 518 HB2 ARG 518 11.335 10.859 0.102 364 HG2 ARG 518 HG3 ARG 518 11.651 8.833 2.321 365 HG3 ARG 518 HG2 ARG 518 12.816 10.135 2.083 366 HD2 ARG 518 HD3 ARG 518 11.407 11.695 2.922 367 HD3 ARG 518 HD2 ARG 518 10.030 11.059 2.031 368 HE ARG 518 HE ARG 518 9.475 9.763 3.893 369 HH11 ARG 518 HH21 ARG 518 12.628 11.156 4.178 370 HH12 ARG 518 HH22 ARG 518 12.818 10.731 5.848 371 HH21 ARG 518 HH11 ARG 518 9.714 9.200 6.084 372 HH22 ARG 518 HH12 ARG 518 11.167 9.623 6.926 373 H GLU 519 H GLU 519 10.175 8.798 -2.348 374 HA GLU 519 HA GLU 519 9.087 11.127 -3.294 375 HB2 GLU 519 HB3 GLU 519 9.870 8.865 -4.482 376 HB3 GLU 519 HB2 GLU 519 8.127 8.616 -4.576 377 HG2 GLU 519 HG3 GLU 519 8.702 9.783 -6.570 378 HG3 GLU 519 HG2 GLU 519 7.989 10.996 -5.510 379 H ARG 520 H ARG 520 7.414 12.075 -2.229 380 HA ARG 520 HA ARG 520 5.129 10.666 -1.271 381 HB2 ARG 520 HB3 ARG 520 5.894 13.539 -1.599 382 HB3 ARG 520 HB2 ARG 520 4.197 13.146 -1.325 383 HG2 ARG 520 HG3 ARG 520 4.627 12.185 0.778 384 HG3 ARG 520 HG2 ARG 520 6.342 11.958 0.426 385 HD2 ARG 520 HD3 ARG 520 5.196 14.733 0.474 386 HD3 ARG 520 HD2 ARG 520 5.587 13.931 1.992 387 HE ARG 520 HE ARG 520 7.847 13.606 0.488 388 HH11 ARG 520 HH21 ARG 520 5.854 16.288 1.394 389 HH12 ARG 520 HH22 ARG 520 7.154 17.432 1.389 390 HH21 ARG 520 HH11 ARG 520 9.557 15.103 0.479 391 HH22 ARG 520 HH12 ARG 520 9.250 16.762 0.870 392 H HIS 521 H HIS 521 6.011 12.035 -4.325 393 HA HIS 521 HA HIS 521 3.458 12.435 -5.445 394 HB2 HIS 521 HB3 HIS 521 5.791 13.090 -6.361 395 HB3 HIS 521 HB2 HIS 521 5.814 11.463 -7.042 396 HD1 HIS 521 HD1 HIS 521 5.674 13.938 -8.904 397 HD2 HIS 521 HD2 HIS 521 2.327 11.847 -7.563 398 HE1 HIS 521 HE1 HIS 521 3.821 14.412 -10.564 399 HE2 HIS 521 HE2 HIS 521 1.773 13.145 -9.759 400 H ILE 522 H ILE 522 5.673 9.669 -5.917 401 HA ILE 522 HA ILE 522 3.956 8.001 -7.301 402 HB ILE 522 HB ILE 522 6.142 7.366 -5.317 403 HG12 ILE 522 HG13 ILE 522 6.040 7.029 -8.328 404 HG13 ILE 522 HG12 ILE 522 6.637 8.495 -7.550 405 HG21 ILE 522 HG21 ILE 522 4.942 5.380 -5.227 406 HG22 ILE 522 HG22 ILE 522 5.968 5.076 -6.627 407 HG23 ILE 522 HG23 ILE 522 4.291 5.575 -6.852 408 HD11 ILE 522 HD11 ILE 522 8.357 6.642 -8.177 409 HD12 ILE 522 HD12 ILE 522 7.727 5.802 -6.761 410 HD13 ILE 522 HD13 ILE 522 8.472 7.390 -6.586 411 H LEU 523 H LEU 523 4.111 8.664 -3.850 412 HA LEU 523 HA LEU 523 2.527 6.566 -2.891 413 HB2 LEU 523 HB3 LEU 523 3.626 8.971 -1.864 414 HB3 LEU 523 HB2 LEU 523 1.910 8.970 -1.460 415 HG LEU 523 HG LEU 523 2.187 6.624 -0.587 416 HD11 LEU 523 HD11 LEU 523 4.651 6.817 -1.916 417 HD12 LEU 523 HD12 LEU 523 4.131 5.508 -0.855 418 HD13 LEU 523 HD13 LEU 523 5.059 6.857 -0.201 419 HD21 LEU 523 HD21 LEU 523 3.277 9.105 0.538 420 HD22 LEU 523 HD22 LEU 523 3.976 7.654 1.257 421 HD23 LEU 523 HD23 LEU 523 2.230 7.899 1.286 422 H GLN 524 H GLN 524 1.520 9.841 -3.900 423 HA GLN 524 HA GLN 524 -1.206 9.598 -3.479 424 HB2 GLN 524 HB3 GLN 524 0.100 11.028 -5.801 425 HB3 GLN 524 HB2 GLN 524 -1.484 11.370 -5.106 426 HG2 GLN 524 HG3 GLN 524 -0.134 11.650 -2.870 427 HG3 GLN 524 HG2 GLN 524 1.239 11.889 -3.950 428 HE21 GLN 524 HE21 GLN 524 1.575 14.094 -4.229 429 HE22 GLN 524 HE22 GLN 524 0.348 15.248 -4.426 430 H GLN 525 H GLN 525 0.658 8.703 -6.373 431 HA GLN 525 HA GLN 525 -1.491 7.848 -7.964 432 HB2 GLN 525 HB3 GLN 525 1.303 6.700 -7.940 433 HB3 GLN 525 HB2 GLN 525 0.165 6.696 -9.290 434 HG2 GLN 525 HG3 GLN 525 1.394 9.153 -8.003 435 HG3 GLN 525 HG2 GLN 525 1.829 8.485 -9.575 436 HE21 GLN 525 HE21 GLN 525 0.023 10.919 -8.221 437 HE22 GLN 525 HE22 GLN 525 -1.156 11.096 -9.428 438 H ILE 526 H ILE 526 0.557 6.048 -5.677 439 HA ILE 526 HA ILE 526 -0.486 3.496 -6.101 440 HB ILE 526 HB ILE 526 0.674 4.840 -3.671 441 HG12 ILE 526 HG13 ILE 526 1.689 2.487 -5.268 442 HG13 ILE 526 HG12 ILE 526 2.042 4.152 -5.734 443 HG21 ILE 526 HG21 ILE 526 0.793 2.315 -2.899 444 HG22 ILE 526 HG22 ILE 526 -0.643 2.162 -3.910 445 HG23 ILE 526 HG23 ILE 526 -0.637 3.288 -2.552 446 HD11 ILE 526 HD11 ILE 526 3.288 4.564 -3.804 447 HD12 ILE 526 HD12 ILE 526 3.713 2.891 -4.158 448 HD13 ILE 526 HD13 ILE 526 2.523 3.256 -2.907 449 H VAL 527 H VAL 527 -1.496 5.883 -3.640 450 HA VAL 527 HA VAL 527 -3.598 4.588 -2.471 451 HB VAL 527 HB VAL 527 -3.737 7.484 -3.341 452 HG11 VAL 527 HG11 VAL 527 -5.548 5.906 -1.952 453 HG12 VAL 527 HG12 VAL 527 -5.465 7.665 -1.888 454 HG13 VAL 527 HG13 VAL 527 -4.638 6.698 -0.666 455 HG21 VAL 527 HG21 VAL 527 -1.948 6.074 -1.464 456 HG22 VAL 527 HG22 VAL 527 -2.769 7.478 -0.781 457 HG23 VAL 527 HG23 VAL 527 -1.766 7.655 -2.220 458 H ASN 528 H ASN 528 -3.632 6.269 -5.597 459 HA ASN 528 HA ASN 528 -6.373 6.017 -6.145 460 HB2 ASN 528 HB3 ASN 528 -4.268 7.141 -7.440 461 HB3 ASN 528 HB2 ASN 528 -4.530 5.709 -8.434 462 HD21 ASN 528 HD21 ASN 528 -7.324 5.439 -8.321 463 HD22 ASN 528 HD22 ASN 528 -8.053 6.807 -9.014 464 H LEU 529 H LEU 529 -3.658 3.829 -6.797 465 HA LEU 529 HA LEU 529 -5.106 1.905 -8.250 466 HB2 LEU 529 HB3 LEU 529 -2.486 2.144 -7.084 467 HB3 LEU 529 HB2 LEU 529 -3.144 0.551 -6.714 468 HG LEU 529 HG LEU 529 -1.910 0.562 -8.861 469 HD11 LEU 529 HD11 LEU 529 -3.346 -1.028 -9.546 470 HD12 LEU 529 HD12 LEU 529 -4.537 0.189 -10.006 471 HD13 LEU 529 HD13 LEU 529 -4.502 -0.432 -8.354 472 HD21 LEU 529 HD21 LEU 529 -3.073 3.051 -9.203 473 HD22 LEU 529 HD22 LEU 529 -3.983 2.039 -10.324 474 HD23 LEU 529 HD23 LEU 529 -2.230 2.142 -10.457 475 H ILE 530 H ILE 530 -4.706 2.369 -4.782 476 HA ILE 530 HA ILE 530 -5.920 -0.093 -4.005 477 HB ILE 530 HB ILE 530 -5.925 2.430 -2.357 478 HG12 ILE 530 HG13 ILE 530 -3.679 2.317 -3.219 479 HG13 ILE 530 HG12 ILE 530 -3.624 1.634 -1.595 480 HG21 ILE 530 HG21 ILE 530 -5.216 -0.266 -1.313 481 HG22 ILE 530 HG22 ILE 530 -6.897 -0.008 -1.775 482 HG23 ILE 530 HG23 ILE 530 -6.146 1.026 -0.558 483 HD11 ILE 530 HD11 ILE 530 -4.024 -0.644 -2.786 484 HD12 ILE 530 HD12 ILE 530 -2.415 0.066 -2.864 485 HD13 ILE 530 HD13 ILE 530 -3.506 0.200 -4.243 486 H GLU 531 H GLU 531 -7.116 3.133 -4.706 487 HA GLU 531 HA GLU 531 -9.762 2.649 -3.735 488 HB2 GLU 531 HB3 GLU 531 -8.581 4.769 -5.525 489 HB3 GLU 531 HB2 GLU 531 -10.289 4.731 -5.093 490 HG2 GLU 531 HG3 GLU 531 -9.879 5.200 -2.859 491 HG3 GLU 531 HG2 GLU 531 -8.253 4.520 -2.908 492 H GLU 532 H GLU 532 -8.101 2.190 -6.774 493 HA GLU 532 HA GLU 532 -10.321 1.932 -8.485 494 HB2 GLU 532 HB3 GLU 532 -8.024 2.134 -9.319 495 HB3 GLU 532 HB2 GLU 532 -7.625 0.561 -8.628 496 HG2 GLU 532 HG3 GLU 532 -10.014 0.559 -10.359 497 HG3 GLU 532 HG2 GLU 532 -8.510 0.942 -11.195 498 H THR 533 H THR 533 -8.568 -0.482 -6.556 499 HA THR 533 HA THR 533 -10.212 -2.673 -7.399 500 HB THR 533 HB THR 533 -7.987 -3.194 -6.664 501 HG1 THR 533 HG1 THR 533 -10.006 -4.402 -5.826 502 HG21 THR 533 HG21 THR 533 -7.588 -1.243 -5.246 503 HG22 THR 533 HG22 THR 533 -7.272 -2.712 -4.328 504 HG23 THR 533 HG23 THR 533 -8.774 -1.823 -4.076 505 H GLY 534 H GLY 534 -11.045 -0.068 -5.688 506 HA2 GLY 534 HA3 GLY 534 -12.636 0.421 -4.088 507 HA3 GLY 534 HA2 GLY 534 -13.487 -0.956 -4.780 508 H HIS 535 H HIS 535 -10.361 -1.365 -3.312 509 HA HIS 535 HA HIS 535 -11.637 -2.672 -0.979 510 HB2 HIS 535 HB3 HIS 535 -10.069 -3.868 -2.966 511 HB3 HIS 535 HB2 HIS 535 -8.993 -3.695 -1.581 512 HD1 HIS 535 HD1 HIS 535 -10.052 -4.607 0.775 513 HD2 HIS 535 HD2 HIS 535 -11.845 -5.977 -2.730 514 HE1 HIS 535 HE1 HIS 535 -11.391 -6.660 1.411 515 HE2 HIS 535 HE2 HIS 535 -12.490 -7.507 -0.716 516 H PHE 536 H PHE 536 -11.406 -1.061 0.515 517 HA PHE 536 HA PHE 536 -8.896 -0.748 1.782 518 HB2 PHE 536 HB3 PHE 536 -8.508 1.640 1.364 519 HB3 PHE 536 HB2 PHE 536 -8.401 0.710 -0.128 520 HD1 PHE 536 HD1 PHE 536 -10.437 3.100 1.805 521 HD2 PHE 536 HD2 PHE 536 -10.095 0.886 -1.861 522 HE1 PHE 536 HE1 PHE 536 -12.222 4.495 0.799 523 HE2 PHE 536 HE2 PHE 536 -11.877 2.281 -2.866 524 HZ PHE 536 HZ PHE 536 -12.945 4.085 -1.539 525 H HIS 537 H HIS 537 -9.059 1.326 3.309 526 HA HIS 537 HA HIS 537 -11.823 1.574 4.294 527 HB2 HIS 537 HB3 HIS 537 -9.713 0.092 5.538 528 HB3 HIS 537 HB2 HIS 537 -10.113 1.481 6.549 529 HD1 HIS 537 HD1 HIS 537 -11.651 -1.613 5.030 530 HD2 HIS 537 HD2 HIS 537 -12.675 1.383 7.742 531 HE1 HIS 537 HE1 HIS 537 -13.817 -2.345 6.120 532 HE2 HIS 537 HE2 HIS 537 -14.453 -0.528 7.777 533 H ILE 538 H ILE 538 -12.096 3.706 3.858 534 HA ILE 538 HA ILE 538 -9.994 5.617 4.489 535 HB ILE 538 HB ILE 538 -11.270 5.868 2.411 536 HG12 ILE 538 HG13 ILE 538 -12.359 8.176 3.823 537 HG13 ILE 538 HG12 ILE 538 -10.689 7.843 4.279 538 HG21 ILE 538 HG21 ILE 538 -13.585 6.095 2.332 539 HG22 ILE 538 HG22 ILE 538 -13.689 6.637 4.006 540 HG23 ILE 538 HG23 ILE 538 -13.404 4.935 3.646 541 HD11 ILE 538 HD11 ILE 538 -10.756 9.337 2.332 542 HD12 ILE 538 HD12 ILE 538 -11.729 8.156 1.452 543 HD13 ILE 538 HD13 ILE 538 -10.063 7.778 1.884 544 H THR 539 H THR 539 -9.818 6.482 6.440 545 HA THR 539 HA THR 539 -12.027 6.334 8.329 546 HB THR 539 HB THR 539 -9.589 7.781 9.123 547 HG1 THR 539 HG1 THR 539 -9.544 5.262 7.940 548 HG21 THR 539 HG21 THR 539 -9.798 6.289 11.059 549 HG22 THR 539 HG22 THR 539 -11.034 5.353 10.219 550 HG23 THR 539 HG23 THR 539 -11.357 7.022 10.685 551 H ASN 540 H ASN 540 -12.819 8.174 9.483 552 HA ASN 540 HA ASN 540 -13.599 10.327 7.902 553 HB2 ASN 540 HB3 ASN 540 -14.645 9.612 10.073 554 HB3 ASN 540 HB2 ASN 540 -13.297 10.383 10.910 555 HD21 ASN 540 HD21 ASN 540 -16.429 10.964 9.897 556 HD22 ASN 540 HD22 ASN 540 -16.366 12.657 9.785 557 H THR 541 H THR 541 -10.749 9.918 9.917 558 HA THR 541 HA THR 541 -9.684 12.435 8.810 559 HB THR 541 HB THR 541 -8.916 13.203 10.896 560 HG1 THR 541 HG1 THR 541 -9.644 10.678 11.961 561 HG21 THR 541 HG21 THR 541 -10.899 13.455 12.176 562 HG22 THR 541 HG22 THR 541 -11.519 11.885 11.670 563 HG23 THR 541 HG23 THR 541 -11.458 13.220 10.521 564 H THR 542 H THR 542 -9.297 9.583 8.148 565 HA THR 542 HA THR 542 -6.434 9.615 7.971 566 HB THR 542 HB THR 542 -7.335 7.178 9.403 567 HG1 THR 542 HG1 THR 542 -6.857 8.446 11.389 568 HG21 THR 542 HG21 THR 542 -4.974 7.851 8.526 569 HG22 THR 542 HG22 THR 542 -5.109 7.139 10.132 570 HG23 THR 542 HG23 THR 542 -4.921 8.882 9.955 571 H PHE 543 H PHE 543 -5.618 7.629 6.855 572 HA PHE 543 HA PHE 543 -7.707 6.224 5.326 573 HB2 PHE 543 HB3 PHE 543 -6.986 8.053 3.901 574 HB3 PHE 543 HB2 PHE 543 -5.294 7.630 4.161 575 HD1 PHE 543 HD1 PHE 543 -8.516 6.305 2.814 576 HD2 PHE 543 HD2 PHE 543 -4.231 6.007 2.820 577 HE1 PHE 543 HE1 PHE 543 -8.624 4.696 0.932 578 HE2 PHE 543 HE2 PHE 543 -4.340 4.398 0.939 579 HZ PHE 543 HZ PHE 543 -6.537 3.740 -0.006 580 H ASP 544 H ASP 544 -7.409 4.168 5.942 581 HA ASP 544 HA ASP 544 -4.672 3.055 5.789 582 HB2 ASP 544 HB3 ASP 544 -5.455 1.485 7.645 583 HB3 ASP 544 HB2 ASP 544 -5.107 3.146 8.114 584 H PHE 545 H PHE 545 -4.583 0.779 5.294 585 HA PHE 545 HA PHE 545 -6.966 -0.583 4.409 586 HB2 PHE 545 HB3 PHE 545 -6.349 -0.751 2.058 587 HB3 PHE 545 HB2 PHE 545 -6.545 0.945 2.504 588 HD1 PHE 545 HD2 PHE 545 -4.360 2.168 3.343 589 HD2 PHE 545 HD1 PHE 545 -4.387 -1.424 0.986 590 HE1 PHE 545 HE2 PHE 545 -2.032 2.622 2.620 591 HE2 PHE 545 HE1 PHE 545 -2.066 -0.962 0.261 592 HZ PHE 545 HZ PHE 545 -0.884 1.057 1.079 593 H ASP 546 H ASP 546 -6.589 -2.780 3.920 594 HA ASP 546 HA ASP 546 -4.109 -3.800 5.076 595 HB2 ASP 546 HB3 ASP 546 -6.069 -5.754 4.113 596 HB3 ASP 546 HB2 ASP 546 -5.317 -5.598 5.701 597 H LEU 547 H LEU 547 -2.611 -4.997 4.014 598 HA LEU 547 HA LEU 547 -2.491 -4.728 1.146 599 HB2 LEU 547 HB3 LEU 547 -0.718 -5.949 3.240 600 HB3 LEU 547 HB2 LEU 547 -0.397 -6.232 1.533 601 HG LEU 547 HG LEU 547 0.831 -4.246 2.515 602 HD11 LEU 547 HD11 LEU 547 -0.801 -2.854 0.574 603 HD12 LEU 547 HD12 LEU 547 -0.449 -4.482 0.025 604 HD13 LEU 547 HD13 LEU 547 0.870 -3.385 0.438 605 HD21 LEU 547 HD21 LEU 547 -1.197 -3.624 3.946 606 HD22 LEU 547 HD22 LEU 547 -1.880 -2.915 2.484 607 HD23 LEU 547 HD23 LEU 547 -0.371 -2.292 3.143 608 H CYS 548 H CYS 548 -2.993 -7.387 3.436 609 HA CYS 548 HA CYS 548 -3.095 -9.433 1.445 610 HB2 CYS 548 HB3 CYS 548 -2.796 -9.528 4.090 611 HB3 CYS 548 HB2 CYS 548 -4.546 -9.745 4.031 612 HG CYS 548 HG CYS 548 -3.554 -12.120 3.767 613 H SER 549 H SER 549 -4.946 -6.907 1.438 614 HA SER 549 HA SER 549 -7.491 -8.357 1.018 615 HB2 SER 549 HB3 SER 549 -6.921 -5.508 1.827 616 HB3 SER 549 HB2 SER 549 -8.496 -6.021 1.232 617 HG SER 549 HG SER 549 -8.534 -7.562 2.919 618 H LEU 550 H LEU 550 -5.093 -6.245 -0.378 619 HA LEU 550 HA LEU 550 -6.607 -5.458 -2.670 620 HB2 LEU 550 HB3 LEU 550 -3.599 -5.640 -2.558 621 HB3 LEU 550 HB2 LEU 550 -4.599 -4.517 -3.481 622 HG LEU 550 HG LEU 550 -4.286 -4.594 -0.465 623 HD11 LEU 550 HD11 LEU 550 -3.563 -2.145 -1.072 624 HD12 LEU 550 HD12 LEU 550 -3.239 -2.837 -2.657 625 HD13 LEU 550 HD13 LEU 550 -2.410 -3.464 -1.236 626 HD21 LEU 550 HD21 LEU 550 -6.125 -3.030 -2.284 627 HD22 LEU 550 HD22 LEU 550 -5.696 -2.451 -0.674 628 HD23 LEU 550 HD23 LEU 550 -6.548 -3.982 -0.861 629 H ASP 551 H ASP 551 -7.206 -6.700 -4.309 630 HA ASP 551 HA ASP 551 -6.526 -9.385 -4.645 631 HB2 ASP 551 HB3 ASP 551 -7.421 -7.457 -6.800 632 HB3 ASP 551 HB2 ASP 551 -7.559 -9.214 -6.843 633 H LYS 552 H LYS 552 -5.205 -10.452 -6.179 634 HA LYS 552 HA LYS 552 -2.584 -9.698 -6.365 635 HB2 LYS 552 HB3 LYS 552 -3.793 -11.141 -8.694 636 HB3 LYS 552 HB2 LYS 552 -2.278 -11.453 -7.847 637 HG2 LYS 552 HG3 LYS 552 -3.531 -13.168 -6.957 638 HG3 LYS 552 HG2 LYS 552 -3.964 -11.899 -5.811 639 HD2 LYS 552 HD3 LYS 552 -5.847 -11.369 -7.595 640 HD3 LYS 552 HD2 LYS 552 -5.572 -13.047 -8.064 641 HE2 LYS 552 HE3 LYS 552 -5.798 -13.603 -5.561 642 HE3 LYS 552 HE2 LYS 552 -6.469 -11.982 -5.385 643 HZ1 LYS 552 HZ1 LYS 552 -7.530 -14.262 -6.929 644 HZ2 LYS 552 HZ2 LYS 552 -7.990 -12.668 -7.299 645 HZ3 LYS 552 HZ3 LYS 552 -8.313 -13.314 -5.761 646 H THR 553 H THR 553 -5.210 -8.832 -8.563 647 HA THR 553 HA THR 553 -3.850 -7.752 -10.693 648 HB THR 553 HB THR 553 -5.827 -6.731 -11.252 649 HG1 THR 553 HG1 THR 553 -6.279 -6.226 -8.503 650 HG21 THR 553 HG21 THR 553 -7.608 -8.109 -10.591 651 HG22 THR 553 HG22 THR 553 -6.973 -8.298 -8.957 652 HG23 THR 553 HG23 THR 553 -6.192 -9.123 -10.308 653 H THR 554 H THR 554 -4.884 -5.950 -7.778 654 HA THR 554 HA THR 554 -3.551 -3.562 -8.417 655 HB THR 554 HB THR 554 -4.431 -4.769 -5.798 656 HG1 THR 554 HG1 THR 554 -5.698 -2.641 -6.163 657 HG21 THR 554 HG21 THR 554 -2.949 -2.204 -6.355 658 HG22 THR 554 HG22 THR 554 -2.646 -3.400 -5.095 659 HG23 THR 554 HG23 THR 554 -4.048 -2.337 -4.982 660 H VAL 555 H VAL 555 -2.538 -6.225 -6.261 661 HA VAL 555 HA VAL 555 -0.094 -5.313 -5.422 662 HB VAL 555 HB VAL 555 -0.714 -8.141 -6.316 663 HG11 VAL 555 HG11 VAL 555 1.545 -6.861 -4.847 664 HG12 VAL 555 HG12 VAL 555 1.543 -8.278 -5.895 665 HG13 VAL 555 HG13 VAL 555 0.967 -8.410 -4.234 666 HG21 VAL 555 HG21 VAL 555 -0.895 -8.044 -3.569 667 HG22 VAL 555 HG22 VAL 555 -2.272 -7.981 -4.668 668 HG23 VAL 555 HG23 VAL 555 -1.579 -6.487 -4.035 669 H ARG 556 H ARG 556 -0.819 -6.920 -8.506 670 HA ARG 556 HA ARG 556 1.796 -7.052 -9.507 671 HB2 ARG 556 HB3 ARG 556 -0.831 -6.723 -10.971 672 HB3 ARG 556 HB2 ARG 556 0.700 -7.126 -11.747 673 HG2 ARG 556 HG3 ARG 556 -0.082 -8.797 -9.414 674 HG3 ARG 556 HG2 ARG 556 -1.027 -9.010 -10.889 675 HD2 ARG 556 HD3 ARG 556 1.028 -9.410 -12.169 676 HD3 ARG 556 HD2 ARG 556 1.996 -9.151 -10.721 677 HE ARG 556 HE ARG 556 1.401 -11.286 -9.995 678 HH11 ARG 556 HH21 ARG 556 -0.544 -10.257 -12.664 679 HH12 ARG 556 HH22 ARG 556 -1.269 -11.810 -12.915 680 HH21 ARG 556 HH11 ARG 556 0.455 -13.326 -10.315 681 HH22 ARG 556 HH12 ARG 556 -0.704 -13.548 -11.583 682 H LYS 557 H LYS 557 -0.681 -4.524 -9.927 683 HA LYS 557 HA LYS 557 0.789 -2.808 -11.567 684 HB2 LYS 557 HB3 LYS 557 -1.358 -2.286 -9.513 685 HB3 LYS 557 HB2 LYS 557 -0.662 -0.996 -10.493 686 HG2 LYS 557 HG3 LYS 557 -1.460 -3.388 -12.023 687 HG3 LYS 557 HG2 LYS 557 -2.798 -2.530 -11.261 688 HD2 LYS 557 HD3 LYS 557 -2.136 -0.445 -12.319 689 HD3 LYS 557 HD2 LYS 557 -0.682 -1.199 -12.975 690 HE2 LYS 557 HE3 LYS 557 -3.126 -2.661 -13.658 691 HE3 LYS 557 HE2 LYS 557 -3.116 -1.012 -14.281 692 HZ1 LYS 557 HZ1 LYS 557 -2.085 -2.519 -15.843 693 HZ2 LYS 557 HZ2 LYS 557 -0.976 -3.034 -14.664 694 HZ3 LYS 557 HZ3 LYS 557 -0.931 -1.436 -15.237 695 H LEU 558 H LEU 558 0.556 -2.866 -8.013 696 HA LEU 558 HA LEU 558 2.216 -0.704 -7.447 697 HB2 LEU 558 HB3 LEU 558 1.936 -3.269 -5.875 698 HB3 LEU 558 HB2 LEU 558 2.531 -1.732 -5.250 699 HG LEU 558 HG LEU 558 -0.230 -2.181 -6.426 700 HD11 LEU 558 HD11 LEU 558 -0.412 -3.240 -4.380 701 HD12 LEU 558 HD12 LEU 558 -0.741 -1.579 -3.892 702 HD13 LEU 558 HD13 LEU 558 0.863 -2.268 -3.646 703 HD21 LEU 558 HD21 LEU 558 0.082 0.089 -6.727 704 HD22 LEU 558 HD22 LEU 558 1.260 0.205 -5.421 705 HD23 LEU 558 HD23 LEU 558 -0.459 0.096 -5.049 706 H GLN 559 H GLN 559 3.041 -4.113 -7.976 707 HA GLN 559 HA GLN 559 5.766 -4.002 -7.389 708 HB2 GLN 559 HB3 GLN 559 3.995 -5.760 -8.963 709 HB3 GLN 559 HB2 GLN 559 5.693 -5.794 -9.439 710 HG2 GLN 559 HG3 GLN 559 4.847 -6.016 -6.549 711 HG3 GLN 559 HG2 GLN 559 4.976 -7.433 -7.590 712 HE21 GLN 559 HE21 GLN 559 6.710 -7.469 -5.491 713 HE22 GLN 559 HE22 GLN 559 8.287 -7.073 -5.982 714 H SER 560 H SER 560 4.024 -3.154 -10.337 715 HA SER 560 HA SER 560 6.365 -2.688 -11.919 716 HB2 SER 560 HB3 SER 560 3.489 -2.528 -12.265 717 HB3 SER 560 HB2 SER 560 4.299 -1.140 -12.988 718 HG SER 560 HG SER 560 4.654 -3.895 -13.496 719 H TYR 561 H TYR 561 4.200 -0.631 -10.011 720 HA TYR 561 HA TYR 561 5.070 1.889 -10.690 721 HB2 TYR 561 HB3 TYR 561 3.892 0.671 -8.286 722 HB3 TYR 561 HB2 TYR 561 4.809 2.143 -7.977 723 HD1 TYR 561 HD1 TYR 561 1.938 0.690 -9.779 724 HD2 TYR 561 HD2 TYR 561 4.096 4.284 -8.860 725 HE1 TYR 561 HE1 TYR 561 0.079 2.039 -10.702 726 HE2 TYR 561 HE2 TYR 561 2.235 5.638 -9.786 727 HH TYR 561 HH TYR 561 0.363 5.300 -11.448 728 H LEU 562 H LEU 562 6.492 -0.227 -8.192 729 HA LEU 562 HA LEU 562 8.580 1.467 -7.424 730 HB2 LEU 562 HB3 LEU 562 8.389 -1.550 -7.486 731 HB3 LEU 562 HB2 LEU 562 9.744 -0.685 -6.763 732 HG LEU 562 HG LEU 562 7.188 0.399 -5.879 733 HD11 LEU 562 HD11 LEU 562 6.511 -1.530 -4.513 734 HD12 LEU 562 HD12 LEU 562 7.793 -2.502 -5.235 735 HD13 LEU 562 HD13 LEU 562 6.450 -1.936 -6.228 736 HD21 LEU 562 HD21 LEU 562 8.249 0.281 -3.737 737 HD22 LEU 562 HD22 LEU 562 9.524 0.680 -4.884 738 HD23 LEU 562 HD23 LEU 562 9.365 -0.971 -4.281 739 H GLU 563 H GLU 563 8.465 -0.983 -9.993 740 HA GLU 563 HA GLU 563 11.174 -0.489 -10.824 741 HB2 GLU 563 HB3 GLU 563 8.925 -2.009 -12.161 742 HB3 GLU 563 HB2 GLU 563 10.603 -1.999 -12.705 743 HG2 GLU 563 HG3 GLU 563 11.334 -3.277 -10.930 744 HG3 GLU 563 HG2 GLU 563 10.078 -2.680 -9.846 745 H THR 564 H THR 564 8.335 -0.413 -12.935 746 HA THR 564 HA THR 564 9.405 2.042 -14.171 747 HB THR 564 HB THR 564 9.199 0.413 -15.848 748 HG1 THR 564 HG1 THR 564 8.080 2.342 -16.367 749 HG21 THR 564 HG21 THR 564 6.991 -0.906 -16.041 750 HG22 THR 564 HG22 THR 564 6.679 -0.372 -14.390 751 HG23 THR 564 HG23 THR 564 8.095 -1.363 -14.742 752 H SER 565 H SER 565 7.864 3.671 -14.878 753 HA SER 565 HA SER 565 5.600 3.905 -12.995 754 HB2 SER 565 HB3 SER 565 7.653 5.720 -13.798 755 HB3 SER 565 HB2 SER 565 6.105 6.360 -14.342 756 HG SER 565 HG SER 565 6.942 6.709 -12.034 757 H GLY 566 H GLY 566 3.566 3.992 -13.736 758 HA2 GLY 566 HA3 GLY 566 2.926 4.869 -16.410 759 HA3 GLY 566 HA2 GLY 566 2.721 3.136 -16.175 760 H THR 567 H THR 567 0.819 5.499 -16.567 761 HA THR 567 HA THR 567 -1.012 4.776 -14.365 762 HB THR 567 HB THR 567 -1.799 7.085 -14.256 763 HG1 THR 567 HG1 THR 567 -1.394 7.762 -16.333 764 HG21 THR 567 HG21 THR 567 0.012 6.506 -12.755 765 HG22 THR 567 HG22 THR 567 0.303 8.133 -13.370 766 HG23 THR 567 HG23 THR 567 1.204 6.768 -14.027 767 H SER 568 H SER 568 -1.102 3.436 -16.722 768 HA SER 568 HA SER 568 -3.677 4.310 -17.795 769 HB2 SER 568 HB3 SER 568 -2.421 5.315 -19.475 770 HB3 SER 568 HB2 SER 568 -1.142 4.106 -19.383 771 HG SER 568 HG SER 568 -2.207 3.412 -21.099 Start of MODEL 5 1 H1 THR 326 H1 THR 326 4.803 -18.659 18.332 2 H2 THR 326 H2 THR 326 6.374 -18.212 18.798 3 H3 THR 326 H3 THR 326 6.139 -19.506 17.721 4 HA THR 326 HA THR 326 5.140 -16.837 17.005 5 HB THR 326 HB THR 326 7.517 -16.576 17.746 6 HG1 THR 326 HG1 THR 326 6.860 -15.248 16.111 7 HG21 THR 326 HG21 THR 326 8.406 -18.199 15.406 8 HG22 THR 326 HG22 THR 326 7.925 -19.065 16.865 9 HG23 THR 326 HG23 THR 326 9.231 -17.882 16.932 10 H GLN 327 H GLN 327 4.354 -19.640 16.557 11 HA GLN 327 HA GLN 327 4.427 -19.581 13.632 12 HB2 GLN 327 HB3 GLN 327 5.708 -21.648 15.334 13 HB3 GLN 327 HB2 GLN 327 4.768 -22.231 13.959 14 HG2 GLN 327 HG3 GLN 327 6.057 -20.872 12.423 15 HG3 GLN 327 HG2 GLN 327 6.905 -20.093 13.758 16 HE21 GLN 327 HE21 GLN 327 7.541 -22.309 15.380 17 HE22 GLN 327 HE22 GLN 327 8.580 -23.346 14.528 18 H GLY 328 H GLY 328 2.278 -19.327 13.343 19 HA2 GLY 328 HA3 GLY 328 0.208 -20.483 12.951 20 HA3 GLY 328 HA2 GLY 328 0.524 -21.457 14.382 21 H GLY 329 H GLY 329 -0.159 -18.129 13.341 22 HA2 GLY 329 HA3 GLY 329 -1.777 -17.775 15.782 23 HA3 GLY 329 HA2 GLY 329 -0.586 -16.555 15.343 24 H ARG 330 H ARG 330 -1.390 -14.867 14.287 25 HA ARG 330 HA ARG 330 -3.352 -15.238 12.169 26 HB2 ARG 330 HB3 ARG 330 -4.797 -13.397 13.212 27 HB3 ARG 330 HB2 ARG 330 -4.908 -15.000 13.938 28 HG2 ARG 330 HG3 ARG 330 -3.590 -14.383 15.794 29 HG3 ARG 330 HG2 ARG 330 -2.939 -12.964 14.973 30 HD2 ARG 330 HD3 ARG 330 -4.864 -11.714 15.312 31 HD3 ARG 330 HD2 ARG 330 -5.896 -13.137 15.414 32 HE ARG 330 HE ARG 330 -5.461 -13.218 17.692 33 HH11 ARG 330 HH21 ARG 330 -3.155 -11.221 16.058 34 HH12 ARG 330 HH22 ARG 330 -2.418 -10.643 17.513 35 HH21 ARG 330 HH11 ARG 330 -4.498 -12.463 19.606 36 HH22 ARG 330 HH12 ARG 330 -3.178 -11.345 19.523 37 HA PRO 331 HA PRO 331 0.075 -12.066 11.551 38 HB2 PRO 331 HB3 PRO 331 -0.406 -13.137 8.809 39 HB3 PRO 331 HB2 PRO 331 1.125 -12.774 9.625 40 HG2 PRO 331 HG3 PRO 331 0.259 -15.278 9.304 41 HG3 PRO 331 HG2 PRO 331 1.160 -14.773 10.743 42 HD2 PRO 331 HD3 PRO 331 -1.740 -15.397 10.468 43 HD3 PRO 331 HD2 PRO 331 -0.682 -15.537 11.890 44 H SER 332 H SER 332 -0.068 -10.061 10.417 45 HA SER 332 HA SER 332 -2.434 -9.457 8.846 46 HB2 SER 332 HB3 SER 332 -2.386 -7.408 10.807 47 HB3 SER 332 HB2 SER 332 -3.667 -8.577 10.496 48 HG SER 332 HG SER 332 -2.891 -8.717 12.640 49 H LEU 333 H LEU 333 -2.215 -7.588 7.629 50 HA LEU 333 HA LEU 333 0.217 -5.984 7.995 51 HB2 LEU 333 HB3 LEU 333 0.376 -7.996 6.265 52 HB3 LEU 333 HB2 LEU 333 -0.455 -6.847 5.220 53 HG LEU 333 HG LEU 333 1.385 -5.170 6.086 54 HD11 LEU 333 HD11 LEU 333 3.071 -7.634 6.176 55 HD12 LEU 333 HD12 LEU 333 2.168 -7.197 7.627 56 HD13 LEU 333 HD13 LEU 333 3.333 -6.066 6.941 57 HD21 LEU 333 HD21 LEU 333 2.982 -6.429 4.306 58 HD22 LEU 333 HD22 LEU 333 1.572 -5.494 3.823 59 HD23 LEU 333 HD23 LEU 333 1.461 -7.248 3.958 60 H ILE 334 H ILE 334 -0.774 -4.098 8.423 61 HA ILE 334 HA ILE 334 -2.568 -3.019 6.348 62 HB ILE 334 HB ILE 334 -2.913 -2.665 9.331 63 HG12 ILE 334 HG13 ILE 334 -4.716 -4.079 7.344 64 HG13 ILE 334 HG12 ILE 334 -3.542 -4.922 8.353 65 HG21 ILE 334 HG21 ILE 334 -3.632 -0.660 8.250 66 HG22 ILE 334 HG22 ILE 334 -5.100 -1.604 8.506 67 HG23 ILE 334 HG23 ILE 334 -4.352 -1.555 6.910 68 HD11 ILE 334 HD11 ILE 334 -4.801 -4.689 10.231 69 HD12 ILE 334 HD12 ILE 334 -6.127 -4.418 9.100 70 HD13 ILE 334 HD13 ILE 334 -5.284 -3.045 9.817 71 H ALA 335 H ALA 335 -2.281 -0.909 5.810 72 HA ALA 335 HA ALA 335 -0.116 0.548 7.209 73 HB1 ALA 335 HB1 ALA 335 0.070 -0.398 4.681 74 HB2 ALA 335 HB2 ALA 335 0.902 1.050 5.245 75 HB3 ALA 335 HB3 ALA 335 -0.623 1.192 4.373 76 H ARG 336 H ARG 336 -0.590 2.526 7.903 77 HA ARG 336 HA ARG 336 -3.153 3.725 7.050 78 HB2 ARG 336 HB3 ARG 336 -3.261 4.786 9.218 79 HB3 ARG 336 HB2 ARG 336 -2.949 3.068 9.468 80 HG2 ARG 336 HG3 ARG 336 -0.468 3.667 9.540 81 HG3 ARG 336 HG2 ARG 336 -0.978 5.352 9.648 82 HD2 ARG 336 HD3 ARG 336 -0.913 4.883 11.896 83 HD3 ARG 336 HD2 ARG 336 -2.553 4.332 11.564 84 HE ARG 336 HE ARG 336 -0.494 2.305 11.247 85 HH11 ARG 336 HH21 ARG 336 -2.785 3.872 13.312 86 HH12 ARG 336 HH22 ARG 336 -2.911 2.541 14.413 87 HH21 ARG 336 HH11 ARG 336 -0.654 0.554 12.687 88 HH22 ARG 336 HH12 ARG 336 -1.705 0.662 14.059 89 H ILE 337 H ILE 337 -3.133 5.691 6.133 90 HA ILE 337 HA ILE 337 -0.712 7.340 6.357 91 HB ILE 337 HB ILE 337 -2.075 7.015 3.703 92 HG12 ILE 337 HG13 ILE 337 0.195 5.374 4.872 93 HG13 ILE 337 HG12 ILE 337 -1.389 4.763 4.393 94 HG21 ILE 337 HG21 ILE 337 -0.464 8.913 4.296 95 HG22 ILE 337 HG22 ILE 337 -0.011 7.948 2.890 96 HG23 ILE 337 HG23 ILE 337 0.786 7.680 4.439 97 HD11 ILE 337 HD11 ILE 337 0.852 5.760 2.657 98 HD12 ILE 337 HD12 ILE 337 -0.810 5.789 2.068 99 HD13 ILE 337 HD13 ILE 337 -0.064 4.258 2.529 100 HA PRO 338 HA PRO 338 -4.389 9.897 7.484 101 HB2 PRO 338 HB3 PRO 338 -2.106 11.807 7.818 102 HB3 PRO 338 HB2 PRO 338 -3.498 11.517 8.881 103 HG2 PRO 338 HG3 PRO 338 -1.094 10.547 9.463 104 HG3 PRO 338 HG2 PRO 338 -2.573 9.630 9.807 105 HD2 PRO 338 HD3 PRO 338 -0.526 9.181 7.693 106 HD3 PRO 338 HD2 PRO 338 -1.587 8.003 8.507 107 H VAL 339 H VAL 339 -5.570 10.762 5.890 108 HA VAL 339 HA VAL 339 -4.770 11.415 3.344 109 HB VAL 339 HB VAL 339 -6.823 12.752 3.163 110 HG11 VAL 339 HG11 VAL 339 -6.863 10.218 3.288 111 HG12 VAL 339 HG12 VAL 339 -8.376 11.011 3.733 112 HG13 VAL 339 HG13 VAL 339 -7.305 10.386 4.988 113 HG21 VAL 339 HG21 VAL 339 -6.426 12.900 6.092 114 HG22 VAL 339 HG22 VAL 339 -8.091 12.627 5.579 115 HG23 VAL 339 HG23 VAL 339 -7.213 14.043 5.004 116 H ALA 340 H ALA 340 -4.640 13.422 6.232 117 HA ALA 340 HA ALA 340 -4.204 15.933 5.149 118 HB1 ALA 340 HB1 ALA 340 -2.688 14.841 7.524 119 HB2 ALA 340 HB2 ALA 340 -4.384 15.319 7.603 120 HB3 ALA 340 HB3 ALA 340 -3.148 16.516 7.214 121 H ARG 341 H ARG 341 -2.344 13.157 4.696 122 HA ARG 341 HA ARG 341 0.128 14.649 4.163 123 HB2 ARG 341 HB3 ARG 341 -0.251 12.201 5.301 124 HB3 ARG 341 HB2 ARG 341 0.058 11.750 3.624 125 HG2 ARG 341 HG3 ARG 341 2.111 13.163 3.654 126 HG3 ARG 341 HG2 ARG 341 1.821 13.502 5.361 127 HD2 ARG 341 HD3 ARG 341 1.640 10.726 5.186 128 HD3 ARG 341 HD2 ARG 341 2.981 11.131 4.120 129 HE ARG 341 HE ARG 341 3.254 12.556 6.551 130 HH11 ARG 341 HH21 ARG 341 3.403 9.366 5.221 131 HH12 ARG 341 HH22 ARG 341 4.554 8.787 6.380 132 HH21 ARG 341 HH11 ARG 341 4.764 11.805 8.074 133 HH22 ARG 341 HH12 ARG 341 5.325 10.168 7.994 134 H ILE 342 H ILE 342 -1.890 12.210 2.515 135 HA ILE 342 HA ILE 342 -0.731 12.715 -0.045 136 HB ILE 342 HB ILE 342 -3.362 11.367 0.610 137 HG12 ILE 342 HG13 ILE 342 -1.071 9.657 -0.014 138 HG13 ILE 342 HG12 ILE 342 -0.825 10.588 1.460 139 HG21 ILE 342 HG21 ILE 342 -3.518 10.983 -1.601 140 HG22 ILE 342 HG22 ILE 342 -1.897 10.292 -1.622 141 HG23 ILE 342 HG23 ILE 342 -2.118 12.025 -1.848 142 HD11 ILE 342 HD11 ILE 342 -2.784 9.700 2.476 143 HD12 ILE 342 HD12 ILE 342 -1.995 8.317 1.718 144 HD13 ILE 342 HD13 ILE 342 -3.385 9.069 0.942 145 H LEU 343 H LEU 343 -4.015 13.339 1.226 146 HA LEU 343 HA LEU 343 -4.689 15.056 -0.965 147 HB2 LEU 343 HB3 LEU 343 -5.986 14.298 1.629 148 HB3 LEU 343 HB2 LEU 343 -6.631 15.641 0.694 149 HG LEU 343 HG LEU 343 -7.719 13.439 0.166 150 HD11 LEU 343 HD11 LEU 343 -6.340 14.005 -2.376 151 HD12 LEU 343 HD12 LEU 343 -6.979 15.442 -1.581 152 HD13 LEU 343 HD13 LEU 343 -8.055 14.106 -1.979 153 HD21 LEU 343 HD21 LEU 343 -5.056 12.731 -1.092 154 HD22 LEU 343 HD22 LEU 343 -6.479 11.703 -0.944 155 HD23 LEU 343 HD23 LEU 343 -5.558 12.142 0.493 156 H GLY 344 H GLY 344 -3.554 15.531 2.334 157 HA2 GLY 344 HA3 GLY 344 -3.674 18.444 2.006 158 HA3 GLY 344 HA2 GLY 344 -3.334 17.582 3.504 159 H ASP 345 H ASP 345 -1.639 19.471 3.250 160 HA ASP 345 HA ASP 345 0.890 18.230 2.875 161 HB2 ASP 345 HB3 ASP 345 1.642 19.833 1.038 162 HB3 ASP 345 HB2 ASP 345 0.605 18.498 0.538 163 HA PRO 346 HA PRO 346 0.296 21.942 5.766 164 HB2 PRO 346 HB3 PRO 346 2.178 20.128 7.219 165 HB3 PRO 346 HB2 PRO 346 0.824 21.086 7.849 166 HG2 PRO 346 HG3 PRO 346 0.646 18.442 7.482 167 HG3 PRO 346 HG2 PRO 346 -0.736 19.526 7.252 168 HD2 PRO 346 HD3 PRO 346 0.863 18.079 5.215 169 HD3 PRO 346 HD2 PRO 346 -0.804 18.687 5.120 170 H GLU 347 H GLU 347 1.855 23.550 6.231 171 HA GLU 347 HA GLU 347 4.639 23.267 5.874 172 HB2 GLU 347 HB3 GLU 347 4.787 24.649 3.735 173 HB3 GLU 347 HB2 GLU 347 4.292 22.968 3.543 174 HG2 GLU 347 HG3 GLU 347 1.969 23.597 3.363 175 HG3 GLU 347 HG2 GLU 347 2.336 25.267 3.797 176 H GLU 348 H GLU 348 3.201 24.454 7.833 177 HA GLU 348 HA GLU 348 2.712 27.224 7.490 178 HB2 GLU 348 HB3 GLU 348 1.770 25.934 9.358 179 HB3 GLU 348 HB2 GLU 348 3.392 25.695 10.012 180 HG2 GLU 348 HG3 GLU 348 3.633 27.945 10.596 181 HG3 GLU 348 HG2 GLU 348 2.407 28.478 9.448 182 H GLU 349 H GLU 349 5.582 25.487 7.529 183 HA GLU 349 HA GLU 349 7.121 27.962 7.969 184 HB2 GLU 349 HB3 GLU 349 8.852 26.632 9.159 185 HB3 GLU 349 HB2 GLU 349 7.320 26.687 10.030 186 HG2 GLU 349 HG3 GLU 349 7.215 24.475 8.231 187 HG3 GLU 349 HG2 GLU 349 8.745 24.385 9.106 188 H1 MET 499 H1 MET 499 -0.754 -17.975 7.406 189 H2 MET 499 H2 MET 499 -0.679 -19.564 8.002 190 H3 MET 499 H3 MET 499 -0.532 -19.270 6.336 191 HA MET 499 HA MET 499 1.385 -18.173 8.305 192 HB2 MET 499 HB3 MET 499 1.789 -20.688 6.676 193 HB3 MET 499 HB2 MET 499 2.789 -20.070 7.992 194 HG2 MET 499 HG3 MET 499 0.448 -20.281 9.305 195 HG3 MET 499 HG2 MET 499 0.211 -21.554 8.108 196 HE1 MET 499 HE1 MET 499 0.860 -23.877 10.608 197 HE2 MET 499 HE2 MET 499 -0.219 -22.531 10.248 198 HE3 MET 499 HE3 MET 499 0.861 -22.437 11.636 199 H ASP 500 H ASP 500 3.491 -17.811 7.135 200 HA ASP 500 HA ASP 500 3.297 -16.031 5.078 201 HB2 ASP 500 HB3 ASP 500 5.699 -17.228 4.495 202 HB3 ASP 500 HB2 ASP 500 5.457 -16.000 5.738 203 H LYS 501 H LYS 501 3.870 -16.183 2.786 204 HA LYS 501 HA LYS 501 3.847 -18.664 1.398 205 HB2 LYS 501 HB3 LYS 501 1.393 -18.272 2.212 206 HB3 LYS 501 HB2 LYS 501 1.347 -17.092 0.903 207 HG2 LYS 501 HG3 LYS 501 0.710 -18.936 -0.305 208 HG3 LYS 501 HG2 LYS 501 2.457 -19.147 -0.431 209 HD2 LYS 501 HD3 LYS 501 2.199 -20.462 1.818 210 HD3 LYS 501 HD2 LYS 501 0.502 -20.584 1.348 211 HE2 LYS 501 HE3 LYS 501 1.546 -22.532 0.454 212 HE3 LYS 501 HE2 LYS 501 1.344 -21.437 -0.916 213 HZ1 LYS 501 HZ1 LYS 501 3.779 -22.259 0.467 214 HZ2 LYS 501 HZ2 LYS 501 3.712 -20.654 -0.086 215 HZ3 LYS 501 HZ3 LYS 501 3.519 -21.941 -1.179 216 H ALA 502 H ALA 502 4.176 -18.410 -0.829 217 HA ALA 502 HA ALA 502 5.748 -16.410 -1.744 218 HB1 ALA 502 HB1 ALA 502 4.378 -16.919 -4.032 219 HB2 ALA 502 HB2 ALA 502 3.908 -18.314 -3.061 220 HB3 ALA 502 HB3 ALA 502 5.614 -17.990 -3.372 221 H TYR 503 H TYR 503 2.276 -16.304 -1.375 222 HA TYR 503 HA TYR 503 2.000 -13.789 -2.796 223 HB2 TYR 503 HB3 TYR 503 0.227 -15.669 -2.582 224 HB3 TYR 503 HB2 TYR 503 -0.077 -14.992 -0.981 225 HD1 TYR 503 HD2 TYR 503 -0.511 -12.445 -0.835 226 HD2 TYR 503 HD1 TYR 503 -0.760 -14.695 -4.484 227 HE1 TYR 503 HE2 TYR 503 -1.878 -10.643 -1.850 228 HE2 TYR 503 HE1 TYR 503 -2.132 -12.896 -5.500 229 HH TYR 503 HH TYR 503 -3.784 -10.847 -4.122 230 H LEU 504 H LEU 504 2.014 -14.929 0.564 231 HA LEU 504 HA LEU 504 1.527 -12.308 1.657 232 HB2 LEU 504 HB3 LEU 504 2.323 -14.968 2.829 233 HB3 LEU 504 HB2 LEU 504 2.299 -13.504 3.813 234 HG LEU 504 HG LEU 504 -0.107 -13.909 2.143 235 HD11 LEU 504 HD11 LEU 504 0.667 -15.823 4.353 236 HD12 LEU 504 HD12 LEU 504 0.142 -16.213 2.716 237 HD13 LEU 504 HD13 LEU 504 -1.009 -15.556 3.878 238 HD21 LEU 504 HD21 LEU 504 0.195 -13.427 5.118 239 HD22 LEU 504 HD22 LEU 504 -1.200 -13.055 4.106 240 HD23 LEU 504 HD23 LEU 504 0.293 -12.135 3.923 241 H ASP 505 H ASP 505 4.367 -14.438 1.414 242 HA ASP 505 HA ASP 505 6.250 -12.834 2.659 243 HB2 ASP 505 HB3 ASP 505 6.475 -15.212 1.645 244 HB3 ASP 505 HB2 ASP 505 6.911 -14.370 0.159 245 H GLU 506 H GLU 506 5.000 -12.687 -0.636 246 HA GLU 506 HA GLU 506 6.821 -10.715 -1.580 247 HB2 GLU 506 HB3 GLU 506 4.351 -12.009 -2.542 248 HB3 GLU 506 HB2 GLU 506 4.610 -10.369 -3.139 249 HG2 GLU 506 HG3 GLU 506 6.777 -12.476 -3.206 250 HG3 GLU 506 HG2 GLU 506 5.643 -12.244 -4.536 251 H LEU 507 H LEU 507 3.483 -10.524 -0.346 252 HA LEU 507 HA LEU 507 3.101 -7.781 -0.632 253 HB2 LEU 507 HB3 LEU 507 1.940 -9.935 1.015 254 HB3 LEU 507 HB2 LEU 507 1.742 -8.311 1.670 255 HG LEU 507 HG LEU 507 1.055 -9.072 -1.191 256 HD11 LEU 507 HD11 LEU 507 -0.520 -10.277 0.035 257 HD12 LEU 507 HD12 LEU 507 -1.338 -8.733 -0.196 258 HD13 LEU 507 HD13 LEU 507 -0.555 -9.097 1.344 259 HD21 LEU 507 HD21 LEU 507 -0.406 -6.839 -0.192 260 HD22 LEU 507 HD22 LEU 507 0.811 -6.851 -1.466 261 HD23 LEU 507 HD23 LEU 507 1.289 -6.569 0.205 262 H VAL 508 H VAL 508 4.653 -9.598 1.976 263 HA VAL 508 HA VAL 508 5.043 -7.396 3.718 264 HB VAL 508 HB VAL 508 6.703 -9.921 3.504 265 HG11 VAL 508 HG11 VAL 508 6.193 -7.970 5.771 266 HG12 VAL 508 HG12 VAL 508 7.714 -8.176 4.899 267 HG13 VAL 508 HG13 VAL 508 7.096 -9.478 5.918 268 HG21 VAL 508 HG21 VAL 508 4.756 -9.896 5.636 269 HG22 VAL 508 HG22 VAL 508 4.942 -11.065 4.328 270 HG23 VAL 508 HG23 VAL 508 3.942 -9.632 4.095 271 H GLU 509 H GLU 509 7.090 -8.907 1.246 272 HA GLU 509 HA GLU 509 9.368 -7.293 1.645 273 HB2 GLU 509 HB3 GLU 509 8.346 -8.825 -0.748 274 HB3 GLU 509 HB2 GLU 509 9.872 -7.942 -0.771 275 HG2 GLU 509 HG3 GLU 509 10.777 -9.274 1.000 276 HG3 GLU 509 HG2 GLU 509 9.205 -9.990 1.353 277 H LEU 510 H LEU 510 6.473 -6.870 -0.330 278 HA LEU 510 HA LEU 510 7.295 -4.637 -1.819 279 HB2 LEU 510 HB3 LEU 510 5.274 -5.907 -2.366 280 HB3 LEU 510 HB2 LEU 510 4.523 -5.393 -0.855 281 HG LEU 510 HG LEU 510 5.576 -3.164 -2.430 282 HD11 LEU 510 HD11 LEU 510 4.935 -4.376 -4.375 283 HD12 LEU 510 HD12 LEU 510 3.573 -3.309 -4.033 284 HD13 LEU 510 HD13 LEU 510 3.489 -5.014 -3.592 285 HD21 LEU 510 HD21 LEU 510 3.348 -2.242 -1.904 286 HD22 LEU 510 HD22 LEU 510 4.091 -2.933 -0.463 287 HD23 LEU 510 HD23 LEU 510 2.829 -3.822 -1.317 288 H HIS 511 H HIS 511 5.297 -4.742 1.143 289 HA HIS 511 HA HIS 511 5.144 -2.007 1.596 290 HB2 HIS 511 HB3 HIS 511 4.320 -4.279 2.933 291 HB3 HIS 511 HB2 HIS 511 5.478 -3.563 4.053 292 HD1 HIS 511 HD1 HIS 511 3.079 -1.782 1.696 293 HD2 HIS 511 HD2 HIS 511 3.824 -2.158 5.779 294 HE1 HIS 511 HE1 HIS 511 1.533 -0.151 2.857 295 HE2 HIS 511 HE2 HIS 511 1.971 -0.372 5.349 296 H ARG 512 H ARG 512 7.655 -4.308 2.581 297 HA ARG 512 HA ARG 512 9.189 -2.611 4.188 298 HB2 ARG 512 HB3 ARG 512 9.566 -5.154 2.801 299 HB3 ARG 512 HB2 ARG 512 11.050 -4.205 2.890 300 HG2 ARG 512 HG3 ARG 512 10.730 -3.941 5.332 301 HG3 ARG 512 HG2 ARG 512 9.261 -4.916 5.238 302 HD2 ARG 512 HD3 ARG 512 10.975 -6.591 4.001 303 HD3 ARG 512 HD2 ARG 512 12.109 -5.754 5.058 304 HE ARG 512 HE ARG 512 9.992 -7.568 5.876 305 HH11 ARG 512 HH21 ARG 512 12.176 -5.025 6.741 306 HH12 ARG 512 HH22 ARG 512 12.162 -5.402 8.431 307 HH21 ARG 512 HH11 ARG 512 9.968 -8.066 8.092 308 HH22 ARG 512 HH12 ARG 512 10.911 -7.122 9.197 309 H ARG 513 H ARG 513 9.669 -3.367 0.729 310 HA ARG 513 HA ARG 513 11.720 -1.526 0.257 311 HB2 ARG 513 HB3 ARG 513 9.588 -2.598 -1.604 312 HB3 ARG 513 HB2 ARG 513 10.990 -1.667 -2.137 313 HG2 ARG 513 HG3 ARG 513 12.495 -3.353 -1.156 314 HG3 ARG 513 HG2 ARG 513 11.101 -4.284 -0.607 315 HD2 ARG 513 HD3 ARG 513 10.748 -5.167 -2.657 316 HD3 ARG 513 HD2 ARG 513 10.966 -3.611 -3.453 317 HE ARG 513 HE ARG 513 13.077 -4.357 -4.007 318 HH11 ARG 513 HH21 ARG 513 12.057 -5.771 -1.018 319 HH12 ARG 513 HH22 ARG 513 13.511 -6.685 -0.794 320 HH21 ARG 513 HH11 ARG 513 14.987 -5.552 -3.720 321 HH22 ARG 513 HH12 ARG 513 15.170 -6.560 -2.324 322 H LEU 514 H LEU 514 8.207 -1.154 0.089 323 HA LEU 514 HA LEU 514 8.087 1.411 -1.019 324 HB2 LEU 514 HB3 LEU 514 6.271 -0.423 0.120 325 HB3 LEU 514 HB2 LEU 514 6.061 1.088 1.005 326 HG LEU 514 HG LEU 514 6.049 0.823 -2.016 327 HD11 LEU 514 HD11 LEU 514 3.986 0.470 0.000 328 HD12 LEU 514 HD12 LEU 514 3.902 0.191 -1.739 329 HD13 LEU 514 HD13 LEU 514 3.592 1.801 -1.087 330 HD21 LEU 514 HD21 LEU 514 6.377 3.054 -1.995 331 HD22 LEU 514 HD22 LEU 514 6.397 3.061 -0.232 332 HD23 LEU 514 HD23 LEU 514 4.870 3.235 -1.097 333 H MET 515 H MET 515 8.356 0.403 2.377 334 HA MET 515 HA MET 515 8.256 2.982 3.513 335 HB2 MET 515 HB3 MET 515 9.250 0.306 4.411 336 HB3 MET 515 HB2 MET 515 9.674 1.733 5.358 337 HG2 MET 515 HG3 MET 515 7.443 2.215 5.876 338 HG3 MET 515 HG2 MET 515 6.824 1.294 4.506 339 HE1 MET 515 HE1 MET 515 5.416 -0.294 7.703 340 HE2 MET 515 HE2 MET 515 5.488 1.243 6.843 341 HE3 MET 515 HE3 MET 515 6.494 0.990 8.265 342 H THR 516 H THR 516 10.483 1.743 1.407 343 HA THR 516 HA THR 516 12.751 3.226 2.560 344 HB THR 516 HB THR 516 13.082 1.707 0.034 345 HG1 THR 516 HG1 THR 516 11.929 0.648 2.239 346 HG21 THR 516 HG21 THR 516 14.638 1.708 2.633 347 HG22 THR 516 HG22 THR 516 14.915 2.856 1.322 348 HG23 THR 516 HG23 THR 516 15.193 1.134 1.061 349 H LEU 517 H LEU 517 10.367 3.349 0.070 350 HA LEU 517 HA LEU 517 11.733 5.039 -1.757 351 HB2 LEU 517 HB3 LEU 517 9.512 3.653 -2.011 352 HB3 LEU 517 HB2 LEU 517 8.756 5.129 -1.410 353 HG LEU 517 HG LEU 517 10.395 6.212 -3.241 354 HD11 LEU 517 HD11 LEU 517 10.568 4.824 -5.207 355 HD12 LEU 517 HD12 LEU 517 9.606 3.552 -4.455 356 HD13 LEU 517 HD13 LEU 517 11.226 3.905 -3.853 357 HD21 LEU 517 HD21 LEU 517 7.705 4.937 -3.835 358 HD22 LEU 517 HD22 LEU 517 8.452 6.229 -4.775 359 HD23 LEU 517 HD23 LEU 517 7.952 6.526 -3.110 360 H ARG 518 H ARG 518 11.605 7.279 -2.028 361 HA ARG 518 HA ARG 518 10.758 8.782 0.377 362 HB2 ARG 518 HB3 ARG 518 12.609 10.138 -1.443 363 HB3 ARG 518 HB2 ARG 518 12.689 9.944 0.309 364 HG2 ARG 518 HG3 ARG 518 13.375 7.530 -0.106 365 HG3 ARG 518 HG2 ARG 518 13.556 7.961 -1.807 366 HD2 ARG 518 HD3 ARG 518 15.702 8.407 -1.112 367 HD3 ARG 518 HD2 ARG 518 14.974 9.965 -0.738 368 HE ARG 518 HE ARG 518 15.277 9.496 1.513 369 HH11 ARG 518 HH21 ARG 518 15.464 6.609 -0.388 370 HH12 ARG 518 HH22 ARG 518 15.951 5.604 0.936 371 HH21 ARG 518 HH11 ARG 518 15.915 8.184 3.254 372 HH22 ARG 518 HH12 ARG 518 16.206 6.495 2.997 373 H GLU 519 H GLU 519 10.844 8.753 -3.156 374 HA GLU 519 HA GLU 519 9.735 11.200 -3.766 375 HB2 GLU 519 HB3 GLU 519 10.461 9.256 -5.322 376 HB3 GLU 519 HB2 GLU 519 8.793 8.709 -5.160 377 HG2 GLU 519 HG3 GLU 519 8.533 10.095 -6.979 378 HG3 GLU 519 HG2 GLU 519 8.301 11.282 -5.697 379 H ARG 520 H ARG 520 8.025 12.151 -2.865 380 HA ARG 520 HA ARG 520 5.885 10.681 -1.643 381 HB2 ARG 520 HB3 ARG 520 6.624 13.532 -2.000 382 HB3 ARG 520 HB2 ARG 520 4.908 13.189 -1.780 383 HG2 ARG 520 HG3 ARG 520 5.363 11.988 0.287 384 HG3 ARG 520 HG2 ARG 520 7.101 12.164 0.045 385 HD2 ARG 520 HD3 ARG 520 6.729 14.679 0.055 386 HD3 ARG 520 HD2 ARG 520 5.084 14.352 0.593 387 HE ARG 520 HE ARG 520 6.822 12.970 2.304 388 HH11 ARG 520 HH21 ARG 520 6.037 16.207 1.365 389 HH12 ARG 520 HH22 ARG 520 6.452 16.900 2.898 390 HH21 ARG 520 HH11 ARG 520 7.367 13.871 4.317 391 HH22 ARG 520 HH12 ARG 520 7.205 15.576 4.568 392 H HIS 521 H HIS 521 6.342 12.401 -4.689 393 HA HIS 521 HA HIS 521 3.717 12.521 -5.599 394 HB2 HIS 521 HB3 HIS 521 6.168 13.129 -6.656 395 HB3 HIS 521 HB2 HIS 521 5.677 11.760 -7.653 396 HD1 HIS 521 HD1 HIS 521 4.155 15.021 -6.371 397 HD2 HIS 521 HD2 HIS 521 3.943 12.489 -9.675 398 HE1 HIS 521 HE1 HIS 521 2.596 16.135 -8.029 399 HE2 HIS 521 HE2 HIS 521 2.457 14.602 -10.049 400 H ILE 522 H ILE 522 5.964 9.812 -5.533 401 HA ILE 522 HA ILE 522 4.421 8.076 -7.191 402 HB ILE 522 HB ILE 522 6.680 7.703 -5.253 403 HG12 ILE 522 HG13 ILE 522 6.740 8.436 -7.798 404 HG13 ILE 522 HG12 ILE 522 7.941 7.315 -7.165 405 HG21 ILE 522 HG21 ILE 522 6.584 5.237 -6.065 406 HG22 ILE 522 HG22 ILE 522 4.889 5.577 -6.422 407 HG23 ILE 522 HG23 ILE 522 5.493 5.729 -4.771 408 HD11 ILE 522 HD11 ILE 522 5.363 6.309 -8.371 409 HD12 ILE 522 HD12 ILE 522 6.880 5.439 -8.138 410 HD13 ILE 522 HD13 ILE 522 6.757 6.685 -9.381 411 H LEU 523 H LEU 523 4.505 8.752 -3.738 412 HA LEU 523 HA LEU 523 2.943 6.571 -2.870 413 HB2 LEU 523 HB3 LEU 523 3.867 9.119 -1.755 414 HB3 LEU 523 HB2 LEU 523 2.303 8.602 -1.127 415 HG LEU 523 HG LEU 523 3.250 6.393 -0.566 416 HD11 LEU 523 HD11 LEU 523 5.978 6.674 -0.645 417 HD12 LEU 523 HD12 LEU 523 5.499 7.483 -2.136 418 HD13 LEU 523 HD13 LEU 523 5.031 5.807 -1.854 419 HD21 LEU 523 HD21 LEU 523 3.687 8.791 0.753 420 HD22 LEU 523 HD22 LEU 523 5.299 8.083 0.685 421 HD23 LEU 523 HD23 LEU 523 3.975 7.189 1.431 422 H GLN 524 H GLN 524 2.069 9.773 -4.077 423 HA GLN 524 HA GLN 524 -0.675 9.699 -3.499 424 HB2 GLN 524 HB3 GLN 524 0.796 11.061 -5.763 425 HB3 GLN 524 HB2 GLN 524 -0.883 11.379 -5.321 426 HG2 GLN 524 HG3 GLN 524 -0.098 11.968 -3.007 427 HG3 GLN 524 HG2 GLN 524 1.562 11.809 -3.581 428 HE21 GLN 524 HE21 GLN 524 -0.283 14.234 -2.748 429 HE22 GLN 524 HE22 GLN 524 0.004 15.351 -3.994 430 H GLN 525 H GLN 525 1.033 8.819 -6.502 431 HA GLN 525 HA GLN 525 -1.167 7.985 -7.993 432 HB2 GLN 525 HB3 GLN 525 1.682 6.967 -7.986 433 HB3 GLN 525 HB2 GLN 525 0.486 6.535 -9.208 434 HG2 GLN 525 HG3 GLN 525 0.493 8.628 -10.157 435 HG3 GLN 525 HG2 GLN 525 0.831 9.436 -8.627 436 HE21 GLN 525 HE21 GLN 525 2.468 7.178 -10.928 437 HE22 GLN 525 HE22 GLN 525 4.002 7.879 -10.740 438 H ILE 526 H ILE 526 0.823 6.150 -5.690 439 HA ILE 526 HA ILE 526 -0.332 3.628 -6.076 440 HB ILE 526 HB ILE 526 0.960 4.939 -3.695 441 HG12 ILE 526 HG13 ILE 526 1.862 2.555 -5.318 442 HG13 ILE 526 HG12 ILE 526 2.219 4.202 -5.829 443 HG21 ILE 526 HG21 ILE 526 -0.395 3.405 -2.573 444 HG22 ILE 526 HG22 ILE 526 1.028 2.421 -2.919 445 HG23 ILE 526 HG23 ILE 526 -0.412 2.276 -3.929 446 HD11 ILE 526 HD11 ILE 526 2.824 3.356 -3.013 447 HD12 ILE 526 HD12 ILE 526 3.579 4.620 -3.981 448 HD13 ILE 526 HD13 ILE 526 3.936 2.925 -4.312 449 H VAL 527 H VAL 527 -1.182 6.158 -3.716 450 HA VAL 527 HA VAL 527 -3.249 4.948 -2.377 451 HB VAL 527 HB VAL 527 -3.229 7.816 -3.352 452 HG11 VAL 527 HG11 VAL 527 -4.695 6.359 -1.142 453 HG12 VAL 527 HG12 VAL 527 -5.392 7.288 -2.471 454 HG13 VAL 527 HG13 VAL 527 -4.525 8.113 -1.176 455 HG21 VAL 527 HG21 VAL 527 -2.451 7.644 -0.660 456 HG22 VAL 527 HG22 VAL 527 -1.413 8.033 -2.031 457 HG23 VAL 527 HG23 VAL 527 -1.553 6.364 -1.476 458 H ASN 528 H ASN 528 -3.371 6.497 -5.563 459 HA ASN 528 HA ASN 528 -6.158 6.259 -5.963 460 HB2 ASN 528 HB3 ASN 528 -4.556 7.664 -7.326 461 HB3 ASN 528 HB2 ASN 528 -4.027 6.176 -8.110 462 HD21 ASN 528 HD21 ASN 528 -5.855 4.868 -9.184 463 HD22 ASN 528 HD22 ASN 528 -7.133 5.741 -9.882 464 H LEU 529 H LEU 529 -3.448 4.111 -6.752 465 HA LEU 529 HA LEU 529 -4.821 2.179 -8.202 466 HB2 LEU 529 HB3 LEU 529 -2.277 2.410 -6.911 467 HB3 LEU 529 HB2 LEU 529 -2.965 0.838 -6.505 468 HG LEU 529 HG LEU 529 -1.632 0.734 -8.582 469 HD11 LEU 529 HD11 LEU 529 -4.211 0.385 -9.847 470 HD12 LEU 529 HD12 LEU 529 -4.262 -0.190 -8.181 471 HD13 LEU 529 HD13 LEU 529 -3.067 -0.842 -9.302 472 HD21 LEU 529 HD21 LEU 529 -3.537 2.154 -10.268 473 HD22 LEU 529 HD22 LEU 529 -1.785 2.316 -10.187 474 HD23 LEU 529 HD23 LEU 529 -2.802 3.227 -9.077 475 H ILE 530 H ILE 530 -4.630 2.658 -4.723 476 HA ILE 530 HA ILE 530 -5.930 0.215 -4.017 477 HB ILE 530 HB ILE 530 -5.908 2.743 -2.371 478 HG12 ILE 530 HG13 ILE 530 -3.630 2.473 -3.109 479 HG13 ILE 530 HG12 ILE 530 -3.714 1.826 -1.472 480 HG21 ILE 530 HG21 ILE 530 -6.514 1.395 -0.657 481 HG22 ILE 530 HG22 ILE 530 -5.380 0.136 -1.135 482 HG23 ILE 530 HG23 ILE 530 -6.963 0.234 -1.905 483 HD11 ILE 530 HD11 ILE 530 -4.150 -0.459 -2.590 484 HD12 ILE 530 HD12 ILE 530 -2.512 0.185 -2.691 485 HD13 ILE 530 HD13 ILE 530 -3.593 0.305 -4.079 486 H GLU 531 H GLU 531 -7.025 3.553 -4.484 487 HA GLU 531 HA GLU 531 -9.716 3.122 -3.735 488 HB2 GLU 531 HB3 GLU 531 -8.315 5.197 -5.394 489 HB3 GLU 531 HB2 GLU 531 -10.074 5.185 -5.274 490 HG2 GLU 531 HG3 GLU 531 -9.938 5.310 -2.833 491 HG3 GLU 531 HG2 GLU 531 -8.177 5.240 -2.909 492 H GLU 532 H GLU 532 -7.940 2.450 -6.634 493 HA GLU 532 HA GLU 532 -10.080 2.289 -8.475 494 HB2 GLU 532 HB3 GLU 532 -7.454 2.173 -8.796 495 HB3 GLU 532 HB2 GLU 532 -7.750 0.436 -8.703 496 HG2 GLU 532 HG3 GLU 532 -9.508 0.699 -10.471 497 HG3 GLU 532 HG2 GLU 532 -9.038 2.389 -10.630 498 H THR 533 H THR 533 -8.481 -0.250 -6.539 499 HA THR 533 HA THR 533 -10.286 -2.305 -7.382 500 HB THR 533 HB THR 533 -8.091 -2.959 -6.636 501 HG1 THR 533 HG1 THR 533 -10.084 -4.156 -5.939 502 HG21 THR 533 HG21 THR 533 -7.556 -1.084 -5.197 503 HG22 THR 533 HG22 THR 533 -7.427 -2.561 -4.242 504 HG23 THR 533 HG23 THR 533 -8.842 -1.523 -4.075 505 H GLY 534 H GLY 534 -10.916 0.345 -5.628 506 HA2 GLY 534 HA3 GLY 534 -12.414 0.917 -3.958 507 HA3 GLY 534 HA2 GLY 534 -13.425 -0.273 -4.766 508 H HIS 535 H HIS 535 -10.425 -1.225 -3.295 509 HA HIS 535 HA HIS 535 -11.929 -2.572 -1.129 510 HB2 HIS 535 HB3 HIS 535 -10.774 -3.963 -3.000 511 HB3 HIS 535 HB2 HIS 535 -9.280 -3.542 -2.161 512 HD1 HIS 535 HD1 HIS 535 -11.035 -6.384 -2.303 513 HD2 HIS 535 HD2 HIS 535 -10.398 -3.856 0.951 514 HE1 HIS 535 HE1 HIS 535 -11.394 -7.787 -0.225 515 HE2 HIS 535 HE2 HIS 535 -11.009 -6.260 1.767 516 H PHE 536 H PHE 536 -11.656 -1.111 0.509 517 HA PHE 536 HA PHE 536 -9.181 -1.114 1.900 518 HB2 PHE 536 HB3 PHE 536 -8.646 1.283 1.731 519 HB3 PHE 536 HB2 PHE 536 -8.525 0.488 0.160 520 HD1 PHE 536 HD1 PHE 536 -10.654 2.678 2.277 521 HD2 PHE 536 HD2 PHE 536 -10.002 1.049 -1.645 522 HE1 PHE 536 HE1 PHE 536 -12.327 4.255 1.344 523 HE2 PHE 536 HE2 PHE 536 -11.670 2.630 -2.575 524 HZ PHE 536 HZ PHE 536 -12.834 4.229 -1.082 525 H HIS 537 H HIS 537 -9.316 0.892 3.591 526 HA HIS 537 HA HIS 537 -12.104 1.144 4.505 527 HB2 HIS 537 HB3 HIS 537 -11.357 -0.688 5.812 528 HB3 HIS 537 HB2 HIS 537 -9.772 0.040 6.070 529 HD1 HIS 537 HD1 HIS 537 -12.898 2.087 6.408 530 HD2 HIS 537 HD2 HIS 537 -10.137 0.199 8.898 531 HE1 HIS 537 HE1 HIS 537 -13.360 2.922 8.753 532 HE2 HIS 537 HE2 HIS 537 -11.686 1.781 10.283 533 H ILE 538 H ILE 538 -12.276 3.322 4.208 534 HA ILE 538 HA ILE 538 -10.129 5.072 5.120 535 HB ILE 538 HB ILE 538 -11.203 5.510 2.949 536 HG12 ILE 538 HG13 ILE 538 -12.235 7.845 4.307 537 HG13 ILE 538 HG12 ILE 538 -10.706 7.343 5.028 538 HG21 ILE 538 HG21 ILE 538 -13.677 6.317 4.461 539 HG22 ILE 538 HG22 ILE 538 -13.476 4.660 3.892 540 HG23 ILE 538 HG23 ILE 538 -13.492 5.993 2.738 541 HD11 ILE 538 HD11 ILE 538 -9.671 7.282 2.791 542 HD12 ILE 538 HD12 ILE 538 -10.319 8.885 3.143 543 HD13 ILE 538 HD13 ILE 538 -11.198 7.792 2.073 544 H THR 539 H THR 539 -10.136 6.072 7.027 545 HA THR 539 HA THR 539 -12.368 5.715 8.839 546 HB THR 539 HB THR 539 -10.111 7.504 9.566 547 HG1 THR 539 HG1 THR 539 -8.921 6.016 8.512 548 HG21 THR 539 HG21 THR 539 -11.113 5.056 11.003 549 HG22 THR 539 HG22 THR 539 -12.044 6.555 11.030 550 HG23 THR 539 HG23 THR 539 -10.405 6.522 11.680 551 H ASN 540 H ASN 540 -13.421 7.469 9.942 552 HA ASN 540 HA ASN 540 -14.395 9.477 8.231 553 HB2 ASN 540 HB3 ASN 540 -14.750 8.665 11.004 554 HB3 ASN 540 HB2 ASN 540 -14.829 10.416 10.809 555 HD21 ASN 540 HD21 ASN 540 -17.069 10.829 10.813 556 HD22 ASN 540 HD22 ASN 540 -18.175 10.072 9.772 557 H THR 541 H THR 541 -11.538 9.318 10.132 558 HA THR 541 HA THR 541 -10.915 12.099 9.400 559 HB THR 541 HB THR 541 -9.779 12.273 11.698 560 HG1 THR 541 HG1 THR 541 -9.895 10.322 12.565 561 HG21 THR 541 HG21 THR 541 -12.804 12.110 11.611 562 HG22 THR 541 HG22 THR 541 -11.858 13.481 11.030 563 HG23 THR 541 HG23 THR 541 -11.836 13.058 12.742 564 H THR 542 H THR 542 -10.145 9.298 8.532 565 HA THR 542 HA THR 542 -7.364 9.831 8.130 566 HB THR 542 HB THR 542 -7.711 7.268 9.595 567 HG1 THR 542 HG1 THR 542 -8.797 8.838 10.880 568 HG21 THR 542 HG21 THR 542 -5.576 9.418 9.600 569 HG22 THR 542 HG22 THR 542 -5.563 7.981 8.580 570 HG23 THR 542 HG23 THR 542 -5.441 7.818 10.330 571 H PHE 543 H PHE 543 -6.303 7.984 6.944 572 HA PHE 543 HA PHE 543 -8.282 6.385 5.457 573 HB2 PHE 543 HB3 PHE 543 -7.738 8.058 3.906 574 HB3 PHE 543 HB2 PHE 543 -6.049 8.094 4.406 575 HD1 PHE 543 HD1 PHE 543 -8.433 5.370 3.367 576 HD2 PHE 543 HD2 PHE 543 -4.629 7.281 2.749 577 HE1 PHE 543 HE1 PHE 543 -7.866 3.694 1.630 578 HE2 PHE 543 HE2 PHE 543 -4.072 5.609 1.011 579 HZ PHE 543 HZ PHE 543 -5.688 3.813 0.452 580 H ASP 544 H ASP 544 -7.890 4.283 5.605 581 HA ASP 544 HA ASP 544 -5.105 3.325 5.744 582 HB2 ASP 544 HB3 ASP 544 -5.747 3.290 8.030 583 HB3 ASP 544 HB2 ASP 544 -7.341 2.641 7.648 584 H PHE 545 H PHE 545 -4.794 1.204 4.977 585 HA PHE 545 HA PHE 545 -7.076 -0.219 3.848 586 HB2 PHE 545 HB3 PHE 545 -6.246 -0.254 1.596 587 HB3 PHE 545 HB2 PHE 545 -6.316 1.434 2.097 588 HD1 PHE 545 HD2 PHE 545 -4.118 2.348 3.261 589 HD2 PHE 545 HD1 PHE 545 -4.272 -1.056 0.646 590 HE1 PHE 545 HE2 PHE 545 -1.691 2.586 2.809 591 HE2 PHE 545 HE1 PHE 545 -1.850 -0.820 0.192 592 HZ PHE 545 HZ PHE 545 -0.556 1.002 1.273 593 H ASP 546 H ASP 546 -6.724 -2.393 3.661 594 HA ASP 546 HA ASP 546 -4.359 -3.422 4.983 595 HB2 ASP 546 HB3 ASP 546 -6.374 -4.472 5.635 596 HB3 ASP 546 HB2 ASP 546 -6.883 -4.693 3.964 597 H LEU 547 H LEU 547 -2.744 -4.613 4.094 598 HA LEU 547 HA LEU 547 -2.361 -4.411 1.232 599 HB2 LEU 547 HB3 LEU 547 -0.730 -5.208 3.586 600 HB3 LEU 547 HB2 LEU 547 -0.262 -5.881 2.028 601 HG LEU 547 HG LEU 547 0.864 -3.693 2.601 602 HD11 LEU 547 HD11 LEU 547 -0.280 -4.512 0.148 603 HD12 LEU 547 HD12 LEU 547 1.078 -3.416 0.391 604 HD13 LEU 547 HD13 LEU 547 -0.564 -2.777 0.276 605 HD21 LEU 547 HD21 LEU 547 -1.753 -2.364 2.000 606 HD22 LEU 547 HD22 LEU 547 -0.347 -1.723 2.830 607 HD23 LEU 547 HD23 LEU 547 -1.390 -2.887 3.641 608 H CYS 548 H CYS 548 -3.089 -6.932 3.576 609 HA CYS 548 HA CYS 548 -2.861 -9.057 1.639 610 HB2 CYS 548 HB3 CYS 548 -2.496 -9.281 4.150 611 HB3 CYS 548 HB2 CYS 548 -4.250 -9.195 4.314 612 HG CYS 548 HG CYS 548 -2.970 -11.386 2.490 613 H SER 549 H SER 549 -4.930 -6.642 1.652 614 HA SER 549 HA SER 549 -7.325 -8.288 1.115 615 HB2 SER 549 HB3 SER 549 -8.585 -6.174 1.341 616 HB3 SER 549 HB2 SER 549 -7.671 -6.551 2.795 617 HG SER 549 HG SER 549 -6.801 -4.839 0.698 618 H LEU 550 H LEU 550 -4.984 -6.143 -0.272 619 HA LEU 550 HA LEU 550 -6.411 -5.383 -2.598 620 HB2 LEU 550 HB3 LEU 550 -3.417 -5.730 -2.356 621 HB3 LEU 550 HB2 LEU 550 -4.289 -4.678 -3.469 622 HG LEU 550 HG LEU 550 -4.195 -4.413 -0.445 623 HD11 LEU 550 HD11 LEU 550 -2.177 -3.540 -1.293 624 HD12 LEU 550 HD12 LEU 550 -3.227 -2.128 -1.182 625 HD13 LEU 550 HD13 LEU 550 -2.954 -2.903 -2.741 626 HD21 LEU 550 HD21 LEU 550 -5.835 -3.057 -2.578 627 HD22 LEU 550 HD22 LEU 550 -5.403 -2.192 -1.104 628 HD23 LEU 550 HD23 LEU 550 -6.353 -3.672 -1.007 629 H ASP 551 H ASP 551 -7.011 -6.556 -4.282 630 HA ASP 551 HA ASP 551 -6.438 -9.317 -4.519 631 HB2 ASP 551 HB3 ASP 551 -7.467 -7.421 -6.646 632 HB3 ASP 551 HB2 ASP 551 -7.605 -9.179 -6.658 633 H LYS 552 H LYS 552 -5.219 -10.411 -6.129 634 HA LYS 552 HA LYS 552 -2.619 -9.689 -6.513 635 HB2 LYS 552 HB3 LYS 552 -2.454 -11.405 -8.094 636 HB3 LYS 552 HB2 LYS 552 -3.853 -11.883 -7.149 637 HG2 LYS 552 HG3 LYS 552 -3.977 -10.441 -9.839 638 HG3 LYS 552 HG2 LYS 552 -4.238 -12.149 -9.593 639 HD2 LYS 552 HD3 LYS 552 -5.909 -9.973 -8.305 640 HD3 LYS 552 HD2 LYS 552 -6.373 -10.880 -9.729 641 HE2 LYS 552 HE3 LYS 552 -5.795 -12.950 -8.115 642 HE3 LYS 552 HE2 LYS 552 -6.243 -11.766 -6.889 643 HZ1 LYS 552 HZ1 LYS 552 -7.986 -13.278 -8.243 644 HZ2 LYS 552 HZ2 LYS 552 -7.990 -11.864 -9.185 645 HZ3 LYS 552 HZ3 LYS 552 -8.370 -11.788 -7.530 646 H THR 553 H THR 553 -5.358 -8.276 -7.995 647 HA THR 553 HA THR 553 -4.209 -7.362 -10.415 648 HB THR 553 HB THR 553 -6.362 -5.910 -8.881 649 HG1 THR 553 HG1 THR 553 -7.796 -7.380 -9.798 650 HG21 THR 553 HG21 THR 553 -6.410 -6.410 -11.814 651 HG22 THR 553 HG22 THR 553 -5.207 -5.267 -11.217 652 HG23 THR 553 HG23 THR 553 -6.920 -4.987 -10.906 653 H THR 554 H THR 554 -4.787 -5.636 -7.354 654 HA THR 554 HA THR 554 -3.354 -3.310 -8.089 655 HB THR 554 HB THR 554 -3.213 -3.665 -5.273 656 HG1 THR 554 HG1 THR 554 -5.849 -4.041 -6.022 657 HG21 THR 554 HG21 THR 554 -4.962 -1.885 -5.334 658 HG22 THR 554 HG22 THR 554 -5.104 -2.133 -7.074 659 HG23 THR 554 HG23 THR 554 -3.590 -1.541 -6.387 660 H VAL 555 H VAL 555 -2.406 -5.924 -5.821 661 HA VAL 555 HA VAL 555 0.147 -5.211 -5.229 662 HB VAL 555 HB VAL 555 -0.744 -8.010 -5.969 663 HG11 VAL 555 HG11 VAL 555 1.780 -6.904 -5.065 664 HG12 VAL 555 HG12 VAL 555 1.397 -8.559 -5.537 665 HG13 VAL 555 HG13 VAL 555 1.132 -8.033 -3.875 666 HG21 VAL 555 HG21 VAL 555 -1.369 -6.217 -3.745 667 HG22 VAL 555 HG22 VAL 555 -0.641 -7.729 -3.195 668 HG23 VAL 555 HG23 VAL 555 -2.107 -7.759 -4.180 669 H ARG 556 H ARG 556 -0.880 -6.873 -8.204 670 HA ARG 556 HA ARG 556 1.655 -7.204 -9.352 671 HB2 ARG 556 HB3 ARG 556 -1.142 -7.142 -10.318 672 HB3 ARG 556 HB2 ARG 556 0.097 -6.854 -11.535 673 HG2 ARG 556 HG3 ARG 556 0.198 -9.177 -9.593 674 HG3 ARG 556 HG2 ARG 556 -0.546 -9.295 -11.185 675 HD2 ARG 556 HD3 ARG 556 2.048 -8.093 -11.475 676 HD3 ARG 556 HD2 ARG 556 2.207 -9.560 -10.517 677 HE ARG 556 HE ARG 556 1.539 -10.811 -12.380 678 HH11 ARG 556 HH21 ARG 556 1.160 -7.406 -12.895 679 HH12 ARG 556 HH22 ARG 556 0.895 -7.558 -14.600 680 HH21 ARG 556 HH11 ARG 556 1.187 -11.012 -14.609 681 HH22 ARG 556 HH12 ARG 556 0.909 -9.598 -15.570 682 H LYS 557 H LYS 557 -0.704 -4.566 -9.820 683 HA LYS 557 HA LYS 557 0.917 -3.004 -11.514 684 HB2 LYS 557 HB3 LYS 557 -1.538 -2.604 -9.919 685 HB3 LYS 557 HB2 LYS 557 -0.616 -1.140 -10.267 686 HG2 LYS 557 HG3 LYS 557 -0.660 -1.627 -12.655 687 HG3 LYS 557 HG2 LYS 557 -1.458 -3.172 -12.356 688 HD2 LYS 557 HD3 LYS 557 -3.381 -1.951 -11.349 689 HD3 LYS 557 HD2 LYS 557 -2.595 -0.425 -11.757 690 HE2 LYS 557 HE3 LYS 557 -2.581 -2.016 -14.111 691 HE3 LYS 557 HE2 LYS 557 -4.209 -2.106 -13.437 692 HZ1 LYS 557 HZ1 LYS 557 -2.702 0.408 -13.912 693 HZ2 LYS 557 HZ2 LYS 557 -4.301 0.284 -13.352 694 HZ3 LYS 557 HZ3 LYS 557 -3.910 -0.204 -14.932 695 H LEU 558 H LEU 558 0.399 -2.830 -7.995 696 HA LEU 558 HA LEU 558 2.065 -0.672 -7.439 697 HB2 LEU 558 HB3 LEU 558 1.586 -3.128 -5.742 698 HB3 LEU 558 HB2 LEU 558 2.212 -1.584 -5.163 699 HG LEU 558 HG LEU 558 -0.486 -1.978 -6.489 700 HD11 LEU 558 HD11 LEU 558 -1.342 -1.453 -4.189 701 HD12 LEU 558 HD12 LEU 558 0.312 -1.607 -3.597 702 HD13 LEU 558 HD13 LEU 558 -0.505 -3.000 -4.306 703 HD21 LEU 558 HD21 LEU 558 -0.709 0.381 -5.282 704 HD22 LEU 558 HD22 LEU 558 -0.027 0.252 -6.903 705 HD23 LEU 558 HD23 LEU 558 1.038 0.398 -5.507 706 H GLN 559 H GLN 559 2.843 -4.112 -7.763 707 HA GLN 559 HA GLN 559 5.521 -4.023 -6.965 708 HB2 GLN 559 HB3 GLN 559 3.847 -5.828 -8.617 709 HB3 GLN 559 HB2 GLN 559 5.593 -5.947 -8.852 710 HG2 GLN 559 HG3 GLN 559 5.973 -6.442 -6.554 711 HG3 GLN 559 HG2 GLN 559 4.339 -5.959 -6.104 712 HE21 GLN 559 HE21 GLN 559 5.792 -8.648 -5.837 713 HE22 GLN 559 HE22 GLN 559 4.741 -9.760 -6.574 714 H SER 560 H SER 560 4.027 -3.415 -10.117 715 HA SER 560 HA SER 560 6.479 -3.056 -11.524 716 HB2 SER 560 HB3 SER 560 5.127 -2.236 -13.328 717 HB3 SER 560 HB2 SER 560 4.236 -3.553 -12.571 718 HG SER 560 HG SER 560 3.739 -1.165 -11.380 719 H TYR 561 H TYR 561 4.242 -0.854 -9.888 720 HA TYR 561 HA TYR 561 5.203 1.609 -10.667 721 HB2 TYR 561 HB3 TYR 561 3.805 0.552 -8.318 722 HB3 TYR 561 HB2 TYR 561 4.762 1.985 -7.973 723 HD1 TYR 561 HD1 TYR 561 2.017 0.608 -10.035 724 HD2 TYR 561 HD2 TYR 561 4.189 4.132 -8.896 725 HE1 TYR 561 HE1 TYR 561 0.302 2.021 -11.136 726 HE2 TYR 561 HE2 TYR 561 2.471 5.548 -9.992 727 HH TYR 561 HH TYR 561 0.762 5.241 -11.868 728 H LEU 562 H LEU 562 6.411 -0.419 -7.998 729 HA LEU 562 HA LEU 562 8.486 1.308 -7.188 730 HB2 LEU 562 HB3 LEU 562 8.120 -1.683 -6.962 731 HB3 LEU 562 HB2 LEU 562 9.514 -0.848 -6.277 732 HG LEU 562 HG LEU 562 6.961 0.444 -5.628 733 HD11 LEU 562 HD11 LEU 562 6.134 -1.848 -5.605 734 HD12 LEU 562 HD12 LEU 562 6.342 -1.300 -3.941 735 HD13 LEU 562 HD13 LEU 562 7.533 -2.378 -4.670 736 HD21 LEU 562 HD21 LEU 562 9.110 -0.691 -3.819 737 HD22 LEU 562 HD22 LEU 562 7.990 0.626 -3.468 738 HD23 LEU 562 HD23 LEU 562 9.281 0.857 -4.648 739 H GLU 563 H GLU 563 8.456 -1.379 -9.521 740 HA GLU 563 HA GLU 563 11.168 -1.475 -10.142 741 HB2 GLU 563 HB3 GLU 563 8.722 -2.476 -11.254 742 HB3 GLU 563 HB2 GLU 563 9.730 -1.850 -12.557 743 HG2 GLU 563 HG3 GLU 563 10.714 -3.754 -10.416 744 HG3 GLU 563 HG2 GLU 563 10.176 -4.259 -12.016 745 H THR 564 H THR 564 8.786 0.033 -12.320 746 HA THR 564 HA THR 564 10.786 1.694 -13.525 747 HB THR 564 HB THR 564 9.042 1.103 -14.978 748 HG1 THR 564 HG1 THR 564 7.878 3.131 -15.262 749 HG21 THR 564 HG21 THR 564 7.305 0.253 -13.720 750 HG22 THR 564 HG22 THR 564 6.606 1.810 -14.168 751 HG23 THR 564 HG23 THR 564 7.337 1.596 -12.576 752 H SER 565 H SER 565 10.785 4.021 -13.550 753 HA SER 565 HA SER 565 9.387 5.366 -11.355 754 HB2 SER 565 HB3 SER 565 11.585 6.451 -10.685 755 HB3 SER 565 HB2 SER 565 11.397 4.759 -10.231 756 HG SER 565 HG SER 565 13.422 5.183 -11.222 757 H GLY 566 H GLY 566 10.596 7.797 -11.438 758 HA2 GLY 566 HA3 GLY 566 9.785 8.767 -14.072 759 HA3 GLY 566 HA2 GLY 566 10.089 9.752 -12.644 760 H THR 567 H THR 567 12.597 9.038 -11.892 761 HA THR 567 HA THR 567 14.437 8.980 -14.103 762 HB THR 567 HB THR 567 13.842 11.296 -14.342 763 HG1 THR 567 HG1 THR 567 16.156 11.332 -12.735 764 HG21 THR 567 HG21 THR 567 14.575 12.478 -11.891 765 HG22 THR 567 HG22 THR 567 13.533 11.117 -11.475 766 HG23 THR 567 HG23 THR 567 12.954 12.368 -12.577 767 H SER 568 H SER 568 16.533 8.555 -13.445 768 HA SER 568 HA SER 568 16.814 7.652 -10.702 769 HB2 SER 568 HB3 SER 568 19.276 7.520 -12.153 770 HB3 SER 568 HB2 SER 568 18.227 6.198 -11.647 771 HG SER 568 HG SER 568 18.095 6.042 -13.780 Start of MODEL 6 1 H1 THR 326 H1 THR 326 -6.004 -26.449 7.940 2 H2 THR 326 H2 THR 326 -4.611 -27.412 7.797 3 H3 THR 326 H3 THR 326 -4.768 -25.996 6.870 4 HA THR 326 HA THR 326 -4.088 -26.310 9.699 5 HB THR 326 HB THR 326 -2.384 -24.776 9.168 6 HG1 THR 326 HG1 THR 326 -3.872 -23.282 8.175 7 HG21 THR 326 HG21 THR 326 -2.555 -25.805 6.398 8 HG22 THR 326 HG22 THR 326 -2.637 -27.027 7.667 9 HG23 THR 326 HG23 THR 326 -1.248 -25.945 7.574 10 H GLN 327 H GLN 327 -5.435 -23.842 7.490 11 HA GLN 327 HA GLN 327 -6.672 -21.944 7.933 12 HB2 GLN 327 HB3 GLN 327 -7.998 -23.933 9.792 13 HB3 GLN 327 HB2 GLN 327 -8.692 -22.387 9.304 14 HG2 GLN 327 HG3 GLN 327 -9.397 -23.246 7.349 15 HG3 GLN 327 HG2 GLN 327 -7.784 -23.855 6.984 16 HE21 GLN 327 HE21 GLN 327 -10.967 -24.783 7.963 17 HE22 GLN 327 HE22 GLN 327 -10.627 -26.416 8.267 18 H GLY 328 H GLY 328 -4.468 -21.347 9.062 19 HA2 GLY 328 HA3 GLY 328 -4.812 -20.948 11.950 20 HA3 GLY 328 HA2 GLY 328 -3.327 -20.701 11.036 21 H GLY 329 H GLY 329 -3.722 -18.714 12.625 22 HA2 GLY 329 HA3 GLY 329 -5.438 -16.658 11.479 23 HA3 GLY 329 HA2 GLY 329 -4.429 -16.502 12.915 24 H ARG 330 H ARG 330 -4.649 -15.989 9.519 25 HA ARG 330 HA ARG 330 -1.923 -15.721 8.861 26 HB2 ARG 330 HB3 ARG 330 -4.511 -14.900 7.682 27 HB3 ARG 330 HB2 ARG 330 -3.108 -13.957 7.177 28 HG2 ARG 330 HG3 ARG 330 -1.998 -15.858 6.309 29 HG3 ARG 330 HG2 ARG 330 -3.045 -16.972 7.186 30 HD2 ARG 330 HD3 ARG 330 -3.408 -16.450 4.591 31 HD3 ARG 330 HD2 ARG 330 -4.761 -16.774 5.671 32 HE ARG 330 HE ARG 330 -4.541 -14.106 5.889 33 HH11 ARG 330 HH21 ARG 330 -4.480 -16.231 3.159 34 HH12 ARG 330 HH22 ARG 330 -5.167 -15.074 2.068 35 HH21 ARG 330 HH11 ARG 330 -5.445 -12.584 4.464 36 HH22 ARG 330 HH12 ARG 330 -5.713 -13.010 2.807 37 HA PRO 331 HA PRO 331 -0.753 -11.916 10.773 38 HB2 PRO 331 HB3 PRO 331 0.911 -10.829 8.879 39 HB3 PRO 331 HB2 PRO 331 1.370 -12.182 9.930 40 HG2 PRO 331 HG3 PRO 331 0.453 -12.211 7.098 41 HG3 PRO 331 HG2 PRO 331 1.709 -13.179 7.890 42 HD2 PRO 331 HD3 PRO 331 -0.776 -14.161 7.351 43 HD3 PRO 331 HD2 PRO 331 0.189 -14.705 8.739 44 H SER 332 H SER 332 -1.702 -9.958 10.994 45 HA SER 332 HA SER 332 -3.407 -8.970 8.846 46 HB2 SER 332 HB3 SER 332 -3.795 -7.160 10.751 47 HB3 SER 332 HB2 SER 332 -4.562 -8.744 10.823 48 HG SER 332 HG SER 332 -2.941 -7.679 12.579 49 H LEU 333 H LEU 333 -1.941 -8.190 7.311 50 HA LEU 333 HA LEU 333 -0.011 -6.154 8.132 51 HB2 LEU 333 HB3 LEU 333 0.263 -8.076 6.317 52 HB3 LEU 333 HB2 LEU 333 -0.483 -6.871 5.271 53 HG LEU 333 HG LEU 333 1.326 -5.282 6.436 54 HD11 LEU 333 HD11 LEU 333 2.949 -7.790 6.234 55 HD12 LEU 333 HD12 LEU 333 2.043 -7.496 7.722 56 HD13 LEU 333 HD13 LEU 333 3.254 -6.333 7.182 57 HD21 LEU 333 HD21 LEU 333 1.443 -5.364 4.129 58 HD22 LEU 333 HD22 LEU 333 1.499 -7.122 4.078 59 HD23 LEU 333 HD23 LEU 333 2.933 -6.203 4.534 60 H ILE 334 H ILE 334 -1.051 -4.276 8.590 61 HA ILE 334 HA ILE 334 -2.676 -3.086 6.427 62 HB ILE 334 HB ILE 334 -3.172 -2.831 9.404 63 HG12 ILE 334 HG13 ILE 334 -5.086 -3.936 7.363 64 HG13 ILE 334 HG12 ILE 334 -3.850 -4.984 8.055 65 HG21 ILE 334 HG21 ILE 334 -3.703 -0.744 8.307 66 HG22 ILE 334 HG22 ILE 334 -5.225 -1.595 8.575 67 HG23 ILE 334 HG23 ILE 334 -4.489 -1.586 6.972 68 HD11 ILE 334 HD11 ILE 334 -4.648 -4.471 10.316 69 HD12 ILE 334 HD12 ILE 334 -5.971 -5.101 9.335 70 HD13 ILE 334 HD13 ILE 334 -5.857 -3.370 9.654 71 H ALA 335 H ALA 335 -2.291 -0.981 5.951 72 HA ALA 335 HA ALA 335 -0.190 0.388 7.525 73 HB1 ALA 335 HB1 ALA 335 0.914 -0.194 5.541 74 HB2 ALA 335 HB2 ALA 335 0.365 1.454 5.230 75 HB3 ALA 335 HB3 ALA 335 -0.519 0.087 4.554 76 H ARG 336 H ARG 336 -0.620 2.411 8.150 77 HA ARG 336 HA ARG 336 -3.161 3.606 7.260 78 HB2 ARG 336 HB3 ARG 336 -2.738 5.123 9.279 79 HB3 ARG 336 HB2 ARG 336 -3.124 3.435 9.620 80 HG2 ARG 336 HG3 ARG 336 -0.965 2.927 10.282 81 HG3 ARG 336 HG2 ARG 336 -0.249 4.178 9.266 82 HD2 ARG 336 HD3 ARG 336 -0.090 4.787 11.648 83 HD3 ARG 336 HD2 ARG 336 -1.123 5.917 10.776 84 HE ARG 336 HE ARG 336 -2.796 3.934 11.792 85 HH11 ARG 336 HH21 ARG 336 -0.577 6.323 12.950 86 HH12 ARG 336 HH22 ARG 336 -1.406 6.566 14.452 87 HH21 ARG 336 HH11 ARG 336 -3.889 4.246 13.760 88 HH22 ARG 336 HH12 ARG 336 -3.281 5.388 14.910 89 H ILE 337 H ILE 337 -3.253 5.628 6.364 90 HA ILE 337 HA ILE 337 -0.728 7.091 6.016 91 HB ILE 337 HB ILE 337 -2.481 7.065 3.648 92 HG12 ILE 337 HG13 ILE 337 -0.869 4.627 4.465 93 HG13 ILE 337 HG12 ILE 337 -2.621 4.693 4.270 94 HG21 ILE 337 HG21 ILE 337 0.487 6.574 3.933 95 HG22 ILE 337 HG22 ILE 337 -0.214 8.192 3.958 96 HG23 ILE 337 HG23 ILE 337 -0.376 7.182 2.522 97 HD11 ILE 337 HD11 ILE 337 -0.577 4.323 2.245 98 HD12 ILE 337 HD12 ILE 337 -1.590 5.718 1.865 99 HD13 ILE 337 HD13 ILE 337 -2.325 4.136 2.110 100 HA PRO 338 HA PRO 338 -3.998 9.928 7.639 101 HB2 PRO 338 HB3 PRO 338 -1.563 11.655 7.745 102 HB3 PRO 338 HB2 PRO 338 -2.819 11.398 8.972 103 HG2 PRO 338 HG3 PRO 338 -0.415 10.280 9.192 104 HG3 PRO 338 HG2 PRO 338 -1.883 9.439 9.715 105 HD2 PRO 338 HD3 PRO 338 -0.193 8.954 7.308 106 HD3 PRO 338 HD2 PRO 338 -1.166 7.806 8.258 107 H VAL 339 H VAL 339 -5.261 10.927 6.192 108 HA VAL 339 HA VAL 339 -4.670 11.575 3.580 109 HB VAL 339 HB VAL 339 -6.648 12.995 3.609 110 HG11 VAL 339 HG11 VAL 339 -7.721 11.183 5.581 111 HG12 VAL 339 HG12 VAL 339 -6.555 10.341 4.562 112 HG13 VAL 339 HG13 VAL 339 -7.931 11.164 3.830 113 HG21 VAL 339 HG21 VAL 339 -6.405 14.393 5.486 114 HG22 VAL 339 HG22 VAL 339 -6.087 13.037 6.569 115 HG23 VAL 339 HG23 VAL 339 -7.721 13.320 5.968 116 H ALA 340 H ALA 340 -4.129 13.496 6.483 117 HA ALA 340 HA ALA 340 -3.595 15.990 5.391 118 HB1 ALA 340 HB1 ALA 340 -2.835 16.514 7.461 119 HB2 ALA 340 HB2 ALA 340 -1.726 15.144 7.508 120 HB3 ALA 340 HB3 ALA 340 -3.431 14.912 7.891 121 H ARG 341 H ARG 341 -2.032 13.104 4.707 122 HA ARG 341 HA ARG 341 0.537 14.375 4.071 123 HB2 ARG 341 HB3 ARG 341 0.692 12.242 5.206 124 HB3 ARG 341 HB2 ARG 341 -0.358 11.485 4.008 125 HG2 ARG 341 HG3 ARG 341 1.275 11.704 2.287 126 HG3 ARG 341 HG2 ARG 341 2.246 12.819 3.249 127 HD2 ARG 341 HD3 ARG 341 2.892 11.087 4.769 128 HD3 ARG 341 HD2 ARG 341 1.701 9.971 4.106 129 HE ARG 341 HE ARG 341 3.302 10.563 1.968 130 HH11 ARG 341 HH21 ARG 341 3.817 9.453 5.206 131 HH12 ARG 341 HH22 ARG 341 5.236 8.541 4.814 132 HH21 ARG 341 HH11 ARG 341 5.164 9.369 1.447 133 HH22 ARG 341 HH12 ARG 341 5.998 8.493 2.686 134 H ILE 342 H ILE 342 -1.836 12.247 2.459 135 HA ILE 342 HA ILE 342 -0.800 12.860 -0.158 136 HB ILE 342 HB ILE 342 -3.434 11.527 0.475 137 HG12 ILE 342 HG13 ILE 342 -1.337 9.653 -0.079 138 HG13 ILE 342 HG12 ILE 342 -0.834 10.662 1.271 139 HG21 ILE 342 HG21 ILE 342 -2.321 12.267 -1.913 140 HG22 ILE 342 HG22 ILE 342 -3.441 10.919 -1.715 141 HG23 ILE 342 HG23 ILE 342 -1.702 10.625 -1.736 142 HD11 ILE 342 HD11 ILE 342 -3.432 9.123 1.058 143 HD12 ILE 342 HD12 ILE 342 -3.014 10.210 2.382 144 HD13 ILE 342 HD13 ILE 342 -2.072 8.745 2.114 145 H LEU 343 H LEU 343 -3.975 13.418 1.393 146 HA LEU 343 HA LEU 343 -4.928 15.165 -0.626 147 HB2 LEU 343 HB3 LEU 343 -5.739 14.605 2.213 148 HB3 LEU 343 HB2 LEU 343 -6.526 15.883 1.300 149 HG LEU 343 HG LEU 343 -7.704 13.654 1.175 150 HD11 LEU 343 HD11 LEU 343 -6.883 13.994 -1.617 151 HD12 LEU 343 HD12 LEU 343 -7.276 15.522 -0.833 152 HD13 LEU 343 HD13 LEU 343 -8.465 14.222 -0.879 153 HD21 LEU 343 HD21 LEU 343 -6.712 11.828 -0.008 154 HD22 LEU 343 HD22 LEU 343 -5.494 12.374 1.141 155 HD23 LEU 343 HD23 LEU 343 -5.365 12.824 -0.559 156 H GLY 344 H GLY 344 -2.769 15.615 2.016 157 HA2 GLY 344 HA3 GLY 344 -3.145 18.373 2.521 158 HA3 GLY 344 HA2 GLY 344 -1.671 17.463 2.843 159 H ASP 345 H ASP 345 -1.313 19.990 2.044 160 HA ASP 345 HA ASP 345 -0.516 21.388 0.378 161 HB2 ASP 345 HB3 ASP 345 0.884 18.755 -0.044 162 HB3 ASP 345 HB2 ASP 345 1.281 20.177 -1.007 163 HA PRO 346 HA PRO 346 -3.337 19.580 -2.906 164 HB2 PRO 346 HB3 PRO 346 -5.328 21.440 -2.723 165 HB3 PRO 346 HB2 PRO 346 -5.295 19.955 -1.752 166 HG2 PRO 346 HG3 PRO 346 -4.585 22.734 -0.986 167 HG3 PRO 346 HG2 PRO 346 -5.381 21.466 -0.040 168 HD2 PRO 346 HD3 PRO 346 -2.715 22.141 0.218 169 HD3 PRO 346 HD2 PRO 346 -3.384 20.555 0.652 170 H GLU 347 H GLU 347 -2.048 22.716 -2.149 171 HA GLU 347 HA GLU 347 -1.270 23.217 -4.842 172 HB2 GLU 347 HB3 GLU 347 -2.637 25.350 -5.069 173 HB3 GLU 347 HB2 GLU 347 -3.531 23.843 -5.264 174 HG2 GLU 347 HG3 GLU 347 -4.603 24.050 -3.215 175 HG3 GLU 347 HG2 GLU 347 -3.318 25.040 -2.526 176 H GLU 348 H GLU 348 0.392 23.125 -2.848 177 HA GLU 348 HA GLU 348 0.771 25.317 -1.176 178 HB2 GLU 348 HB3 GLU 348 3.225 24.684 -1.307 179 HB3 GLU 348 HB2 GLU 348 2.128 23.380 -0.851 180 HG2 GLU 348 HG3 GLU 348 2.638 22.185 -2.695 181 HG3 GLU 348 HG2 GLU 348 2.423 23.585 -3.744 182 H GLU 349 H GLU 349 2.562 26.952 -1.380 183 HA GLU 349 HA GLU 349 2.376 28.231 -4.028 184 HB2 GLU 349 HB3 GLU 349 3.247 29.426 -1.385 185 HB3 GLU 349 HB2 GLU 349 2.951 30.300 -2.887 186 HG2 GLU 349 HG3 GLU 349 0.606 29.757 -2.834 187 HG3 GLU 349 HG2 GLU 349 0.840 28.636 -1.493 188 H1 MET 499 H1 MET 499 1.858 -20.765 -4.640 189 H2 MET 499 H2 MET 499 2.162 -22.436 -4.637 190 H3 MET 499 H3 MET 499 3.387 -21.346 -4.191 191 HA MET 499 HA MET 499 1.165 -22.383 -2.645 192 HB2 MET 499 HB3 MET 499 3.973 -21.385 -2.165 193 HB3 MET 499 HB2 MET 499 2.878 -21.719 -0.823 194 HG2 MET 499 HG3 MET 499 3.440 -23.735 -3.006 195 HG3 MET 499 HG2 MET 499 4.388 -23.653 -1.521 196 HE1 MET 499 HE1 MET 499 3.248 -26.124 -2.351 197 HE2 MET 499 HE2 MET 499 2.145 -26.797 -1.154 198 HE3 MET 499 HE3 MET 499 3.706 -26.163 -0.643 199 H ASP 500 H ASP 500 1.203 -20.885 -0.419 200 HA ASP 500 HA ASP 500 -0.066 -18.398 -1.308 201 HB2 ASP 500 HB3 ASP 500 -0.254 -20.151 1.076 202 HB3 ASP 500 HB2 ASP 500 -0.474 -18.426 1.357 203 H LYS 501 H LYS 501 2.589 -19.556 0.707 204 HA LYS 501 HA LYS 501 3.377 -17.313 2.059 205 HB2 LYS 501 HB3 LYS 501 5.124 -19.315 0.608 206 HB3 LYS 501 HB2 LYS 501 5.721 -18.143 1.783 207 HG2 LYS 501 HG3 LYS 501 4.830 -19.267 3.561 208 HG3 LYS 501 HG2 LYS 501 3.398 -19.762 2.658 209 HD2 LYS 501 HD3 LYS 501 4.676 -21.485 1.495 210 HD3 LYS 501 HD2 LYS 501 6.163 -20.948 2.280 211 HE2 LYS 501 HE3 LYS 501 3.983 -21.528 4.166 212 HE3 LYS 501 HE2 LYS 501 4.506 -22.933 3.234 213 HZ1 LYS 501 HZ1 LYS 501 5.766 -22.567 5.323 214 HZ2 LYS 501 HZ2 LYS 501 6.362 -21.116 4.668 215 HZ3 LYS 501 HZ3 LYS 501 6.740 -22.601 3.935 216 H ALA 502 H ALA 502 4.469 -18.154 -1.237 217 HA ALA 502 HA ALA 502 5.977 -16.006 -1.908 218 HB1 ALA 502 HB1 ALA 502 5.797 -17.446 -3.683 219 HB2 ALA 502 HB2 ALA 502 4.650 -16.220 -4.219 220 HB3 ALA 502 HB3 ALA 502 4.068 -17.694 -3.445 221 H TYR 503 H TYR 503 2.474 -16.060 -1.574 222 HA TYR 503 HA TYR 503 2.063 -13.432 -2.650 223 HB2 TYR 503 HB3 TYR 503 0.409 -15.519 -2.158 224 HB3 TYR 503 HB2 TYR 503 0.082 -14.523 -0.739 225 HD1 TYR 503 HD2 TYR 503 0.088 -11.843 -1.440 226 HD2 TYR 503 HD1 TYR 503 -1.066 -15.151 -3.928 227 HE1 TYR 503 HE2 TYR 503 -1.309 -10.323 -2.815 228 HE2 TYR 503 HE1 TYR 503 -2.462 -13.632 -5.301 229 HH TYR 503 HH TYR 503 -2.600 -10.136 -4.610 230 H LEU 504 H LEU 504 1.708 -14.692 0.678 231 HA LEU 504 HA LEU 504 1.494 -12.205 1.945 232 HB2 LEU 504 HB3 LEU 504 2.623 -14.801 3.021 233 HB3 LEU 504 HB2 LEU 504 2.137 -13.418 4.004 234 HG LEU 504 HG LEU 504 0.135 -14.427 2.047 235 HD11 LEU 504 HD11 LEU 504 0.673 -16.570 2.814 236 HD12 LEU 504 HD12 LEU 504 -0.557 -16.071 3.974 237 HD13 LEU 504 HD13 LEU 504 1.150 -15.986 4.409 238 HD21 LEU 504 HD21 LEU 504 -0.208 -13.779 4.975 239 HD22 LEU 504 HD22 LEU 504 -1.395 -13.657 3.676 240 HD23 LEU 504 HD23 LEU 504 -0.067 -12.500 3.770 241 H ASP 505 H ASP 505 4.361 -14.212 1.336 242 HA ASP 505 HA ASP 505 6.253 -12.606 2.636 243 HB2 ASP 505 HB3 ASP 505 6.593 -14.943 1.720 244 HB3 ASP 505 HB2 ASP 505 6.754 -14.212 0.124 245 H GLU 506 H GLU 506 5.090 -12.550 -0.722 246 HA GLU 506 HA GLU 506 6.803 -10.539 -1.683 247 HB2 GLU 506 HB3 GLU 506 4.112 -11.574 -2.502 248 HB3 GLU 506 HB2 GLU 506 4.758 -10.127 -3.275 249 HG2 GLU 506 HG3 GLU 506 6.624 -11.274 -4.141 250 HG3 GLU 506 HG2 GLU 506 6.434 -12.616 -3.018 251 H LEU 507 H LEU 507 3.471 -10.279 -0.432 252 HA LEU 507 HA LEU 507 3.175 -7.518 -0.623 253 HB2 LEU 507 HB3 LEU 507 1.954 -9.677 0.994 254 HB3 LEU 507 HB2 LEU 507 1.749 -8.041 1.615 255 HG LEU 507 HG LEU 507 1.182 -8.792 -1.271 256 HD11 LEU 507 HD11 LEU 507 -1.224 -8.778 -0.574 257 HD12 LEU 507 HD12 LEU 507 -0.699 -8.688 1.107 258 HD13 LEU 507 HD13 LEU 507 -0.305 -10.106 0.136 259 HD21 LEU 507 HD21 LEU 507 1.308 -6.321 0.176 260 HD22 LEU 507 HD22 LEU 507 -0.378 -6.624 -0.240 261 HD23 LEU 507 HD23 LEU 507 0.847 -6.578 -1.506 262 H VAL 508 H VAL 508 4.374 -9.428 2.136 263 HA VAL 508 HA VAL 508 4.878 -7.318 3.890 264 HB VAL 508 HB VAL 508 6.455 -9.886 3.593 265 HG11 VAL 508 HG11 VAL 508 6.182 -7.834 5.801 266 HG12 VAL 508 HG12 VAL 508 7.662 -8.379 5.010 267 HG13 VAL 508 HG13 VAL 508 6.788 -9.465 6.090 268 HG21 VAL 508 HG21 VAL 508 3.743 -9.551 4.162 269 HG22 VAL 508 HG22 VAL 508 4.495 -9.697 5.749 270 HG23 VAL 508 HG23 VAL 508 4.715 -10.970 4.551 271 H GLU 509 H GLU 509 7.006 -8.786 1.448 272 HA GLU 509 HA GLU 509 9.258 -7.161 1.978 273 HB2 GLU 509 HB3 GLU 509 9.728 -9.070 0.715 274 HB3 GLU 509 HB2 GLU 509 8.365 -8.803 -0.373 275 HG2 GLU 509 HG3 GLU 509 9.469 -7.103 -1.548 276 HG3 GLU 509 HG2 GLU 509 10.597 -6.791 -0.229 277 H LEU 510 H LEU 510 6.540 -6.798 -0.283 278 HA LEU 510 HA LEU 510 7.401 -4.606 -1.723 279 HB2 LEU 510 HB3 LEU 510 5.183 -6.078 -1.771 280 HB3 LEU 510 HB2 LEU 510 4.555 -4.728 -0.832 281 HG LEU 510 HG LEU 510 4.130 -4.318 -3.168 282 HD11 LEU 510 HD11 LEU 510 6.484 -2.578 -2.424 283 HD12 LEU 510 HD12 LEU 510 4.924 -2.448 -1.606 284 HD13 LEU 510 HD13 LEU 510 5.044 -2.125 -3.336 285 HD21 LEU 510 HD21 LEU 510 6.931 -4.017 -4.001 286 HD22 LEU 510 HD22 LEU 510 5.583 -4.771 -4.852 287 HD23 LEU 510 HD23 LEU 510 6.482 -5.682 -3.642 288 H HIS 511 H HIS 511 5.319 -4.533 1.183 289 HA HIS 511 HA HIS 511 5.328 -1.757 1.500 290 HB2 HIS 511 HB3 HIS 511 4.521 -4.070 3.055 291 HB3 HIS 511 HB2 HIS 511 5.188 -2.797 4.081 292 HD1 HIS 511 HD1 HIS 511 3.349 -2.183 0.843 293 HD2 HIS 511 HD2 HIS 511 2.753 -1.683 4.937 294 HE1 HIS 511 HE1 HIS 511 1.265 -0.783 1.088 295 HE2 HIS 511 HE2 HIS 511 0.886 -0.463 3.582 296 H ARG 512 H ARG 512 7.408 -4.219 3.008 297 HA ARG 512 HA ARG 512 8.957 -2.672 4.656 298 HB2 ARG 512 HB3 ARG 512 9.181 -5.243 3.400 299 HB3 ARG 512 HB2 ARG 512 10.748 -4.439 3.356 300 HG2 ARG 512 HG3 ARG 512 9.029 -4.712 5.840 301 HG3 ARG 512 HG2 ARG 512 10.393 -5.761 5.451 302 HD2 ARG 512 HD3 ARG 512 11.349 -3.118 5.171 303 HD3 ARG 512 HD2 ARG 512 10.411 -3.135 6.660 304 HE ARG 512 HE ARG 512 11.998 -4.567 7.598 305 HH11 ARG 512 HH21 ARG 512 12.430 -4.237 4.179 306 HH12 ARG 512 HH22 ARG 512 13.967 -5.036 4.158 307 HH21 ARG 512 HH11 ARG 512 14.014 -5.613 7.576 308 HH22 ARG 512 HH12 ARG 512 14.864 -5.815 6.080 309 H ARG 513 H ARG 513 9.470 -3.221 1.173 310 HA ARG 513 HA ARG 513 11.756 -1.497 1.036 311 HB2 ARG 513 HB3 ARG 513 9.970 -2.771 -1.035 312 HB3 ARG 513 HB2 ARG 513 11.277 -1.671 -1.478 313 HG2 ARG 513 HG3 ARG 513 12.899 -3.103 -0.311 314 HG3 ARG 513 HG2 ARG 513 11.601 -4.194 0.173 315 HD2 ARG 513 HD3 ARG 513 12.776 -5.053 -1.818 316 HD3 ARG 513 HD2 ARG 513 11.099 -4.664 -2.189 317 HE ARG 513 HE ARG 513 12.679 -2.400 -2.746 318 HH11 ARG 513 HH21 ARG 513 12.152 -5.647 -3.819 319 HH12 ARG 513 HH22 ARG 513 12.593 -5.322 -5.461 320 HH21 ARG 513 HH11 ARG 513 13.258 -1.966 -4.898 321 HH22 ARG 513 HH12 ARG 513 13.219 -3.239 -6.073 322 H LEU 514 H LEU 514 8.333 -1.167 0.128 323 HA LEU 514 HA LEU 514 8.432 1.394 -0.963 324 HB2 LEU 514 HB3 LEU 514 6.478 -0.266 -0.912 325 HB3 LEU 514 HB2 LEU 514 6.127 0.377 0.694 326 HG LEU 514 HG LEU 514 6.449 2.686 -0.678 327 HD11 LEU 514 HD11 LEU 514 5.403 2.499 -2.864 328 HD12 LEU 514 HD12 LEU 514 5.136 0.773 -2.628 329 HD13 LEU 514 HD13 LEU 514 6.777 1.394 -2.802 330 HD21 LEU 514 HD21 LEU 514 3.927 2.689 -0.858 331 HD22 LEU 514 HD22 LEU 514 4.534 2.213 0.728 332 HD23 LEU 514 HD23 LEU 514 3.953 0.986 -0.399 333 H MET 515 H MET 515 8.624 0.339 2.336 334 HA MET 515 HA MET 515 7.907 2.844 3.538 335 HB2 MET 515 HB3 MET 515 7.696 0.784 4.811 336 HB3 MET 515 HB2 MET 515 9.421 0.462 4.631 337 HG2 MET 515 HG3 MET 515 10.027 2.098 6.144 338 HG3 MET 515 HG2 MET 515 8.611 3.090 5.799 339 HE1 MET 515 HE1 MET 515 6.106 1.845 6.172 340 HE2 MET 515 HE2 MET 515 6.635 3.234 7.120 341 HE3 MET 515 HE3 MET 515 5.835 1.884 7.921 342 H THR 516 H THR 516 10.805 1.477 2.200 343 HA THR 516 HA THR 516 12.562 3.405 3.483 344 HB THR 516 HB THR 516 13.391 1.707 1.159 345 HG1 THR 516 HG1 THR 516 12.218 0.815 3.401 346 HG21 THR 516 HG21 THR 516 14.774 2.256 3.787 347 HG22 THR 516 HG22 THR 516 14.877 3.367 2.423 348 HG23 THR 516 HG23 THR 516 15.495 1.723 2.268 349 H LEU 517 H LEU 517 10.662 3.184 0.624 350 HA LEU 517 HA LEU 517 12.138 4.849 -1.107 351 HB2 LEU 517 HB3 LEU 517 9.560 3.596 -1.067 352 HB3 LEU 517 HB2 LEU 517 9.370 5.280 -1.557 353 HG LEU 517 HG LEU 517 11.182 4.966 -3.232 354 HD11 LEU 517 HD11 LEU 517 11.558 2.549 -1.738 355 HD12 LEU 517 HD12 LEU 517 12.539 3.181 -3.062 356 HD13 LEU 517 HD13 LEU 517 11.170 2.123 -3.403 357 HD21 LEU 517 HD21 LEU 517 8.693 4.562 -3.696 358 HD22 LEU 517 HD22 LEU 517 9.055 2.840 -3.573 359 HD23 LEU 517 HD23 LEU 517 9.821 3.814 -4.826 360 H ARG 518 H ARG 518 11.559 7.060 -1.754 361 HA ARG 518 HA ARG 518 10.502 8.689 0.473 362 HB2 ARG 518 HB3 ARG 518 12.350 10.359 -0.575 363 HB3 ARG 518 HB2 ARG 518 12.676 9.291 0.791 364 HG2 ARG 518 HG3 ARG 518 13.776 7.702 -0.553 365 HG3 ARG 518 HG2 ARG 518 13.056 8.326 -2.038 366 HD2 ARG 518 HD3 ARG 518 14.825 10.113 -0.400 367 HD3 ARG 518 HD2 ARG 518 15.557 8.906 -1.453 368 HE ARG 518 HE ARG 518 13.662 10.259 -2.987 369 HH11 ARG 518 HH21 ARG 518 16.555 10.932 -1.213 370 HH12 ARG 518 HH22 ARG 518 17.039 12.245 -2.233 371 HH21 ARG 518 HH11 ARG 518 14.290 11.979 -4.330 372 HH22 ARG 518 HH12 ARG 518 15.756 12.839 -3.998 373 H GLU 519 H GLU 519 9.839 7.704 -2.476 374 HA GLU 519 HA GLU 519 9.355 10.254 -3.786 375 HB2 GLU 519 HB3 GLU 519 8.959 7.369 -4.521 376 HB3 GLU 519 HB2 GLU 519 8.140 8.633 -5.439 377 HG2 GLU 519 HG3 GLU 519 10.091 9.456 -6.320 378 HG3 GLU 519 HG2 GLU 519 11.036 9.043 -4.890 379 H ARG 520 H ARG 520 7.818 11.396 -2.695 380 HA ARG 520 HA ARG 520 5.466 10.207 -1.579 381 HB2 ARG 520 HB3 ARG 520 6.384 12.285 -0.671 382 HB3 ARG 520 HB2 ARG 520 6.105 13.099 -2.211 383 HG2 ARG 520 HG3 ARG 520 3.773 13.050 -1.964 384 HG3 ARG 520 HG2 ARG 520 3.831 11.741 -0.784 385 HD2 ARG 520 HD3 ARG 520 4.811 14.573 -0.325 386 HD3 ARG 520 HD2 ARG 520 3.318 13.890 0.310 387 HE ARG 520 HE ARG 520 5.199 12.171 1.239 388 HH11 ARG 520 HH21 ARG 520 4.883 15.617 1.222 389 HH12 ARG 520 HH22 ARG 520 5.751 15.841 2.704 390 HH21 ARG 520 HH11 ARG 520 6.339 12.457 3.182 391 HH22 ARG 520 HH12 ARG 520 6.577 14.053 3.813 392 H HIS 521 H HIS 521 6.285 11.677 -4.653 393 HA HIS 521 HA HIS 521 3.695 12.161 -5.634 394 HB2 HIS 521 HB3 HIS 521 6.360 12.221 -6.645 395 HB3 HIS 521 HB2 HIS 521 5.368 11.298 -7.775 396 HD1 HIS 521 HD1 HIS 521 4.319 14.273 -5.646 397 HD2 HIS 521 HD2 HIS 521 4.719 13.233 -9.662 398 HE1 HIS 521 HE1 HIS 521 3.373 16.205 -6.984 399 HE2 HIS 521 HE2 HIS 521 3.611 15.586 -9.435 400 H ILE 522 H ILE 522 5.781 9.291 -5.930 401 HA ILE 522 HA ILE 522 4.006 7.733 -7.470 402 HB ILE 522 HB ILE 522 6.284 7.083 -5.618 403 HG12 ILE 522 HG13 ILE 522 5.865 6.533 -8.571 404 HG13 ILE 522 HG12 ILE 522 6.594 8.020 -7.961 405 HG21 ILE 522 HG21 ILE 522 4.262 5.225 -6.852 406 HG22 ILE 522 HG22 ILE 522 5.014 5.150 -5.258 407 HG23 ILE 522 HG23 ILE 522 5.939 4.699 -6.688 408 HD11 ILE 522 HD11 ILE 522 7.621 5.202 -7.513 409 HD12 ILE 522 HD12 ILE 522 8.316 6.649 -6.784 410 HD13 ILE 522 HD13 ILE 522 8.360 6.434 -8.534 411 H LEU 523 H LEU 523 4.245 8.329 -4.021 412 HA LEU 523 HA LEU 523 2.580 6.240 -3.119 413 HB2 LEU 523 HB3 LEU 523 3.715 8.702 -2.022 414 HB3 LEU 523 HB2 LEU 523 2.127 8.332 -1.356 415 HG LEU 523 HG LEU 523 3.998 7.298 -0.058 416 HD11 LEU 523 HD11 LEU 523 2.534 5.674 0.484 417 HD12 LEU 523 HD12 LEU 523 2.829 4.843 -1.044 418 HD13 LEU 523 HD13 LEU 523 1.599 6.102 -0.949 419 HD21 LEU 523 HD21 LEU 523 5.619 6.063 -1.051 420 HD22 LEU 523 HD22 LEU 523 5.050 6.776 -2.559 421 HD23 LEU 523 HD23 LEU 523 4.459 5.192 -2.054 422 H GLN 524 H GLN 524 1.862 9.480 -4.319 423 HA GLN 524 HA GLN 524 -0.873 9.549 -3.635 424 HB2 GLN 524 HB3 GLN 524 0.627 10.894 -5.894 425 HB3 GLN 524 HB2 GLN 524 -1.031 11.277 -5.430 426 HG2 GLN 524 HG3 GLN 524 -0.318 11.964 -3.215 427 HG3 GLN 524 HG2 GLN 524 1.329 11.418 -3.534 428 HE21 GLN 524 HE21 GLN 524 -0.956 13.392 -5.512 429 HE22 GLN 524 HE22 GLN 524 0.120 14.689 -5.717 430 H GLN 525 H GLN 525 0.767 8.517 -6.624 431 HA GLN 525 HA GLN 525 -1.524 7.875 -8.113 432 HB2 GLN 525 HB3 GLN 525 1.299 7.578 -8.379 433 HB3 GLN 525 HB2 GLN 525 0.554 6.018 -8.733 434 HG2 GLN 525 HG3 GLN 525 0.658 7.302 -10.788 435 HG3 GLN 525 HG2 GLN 525 -1.027 7.186 -10.287 436 HE21 GLN 525 HE21 GLN 525 1.802 9.395 -9.878 437 HE22 GLN 525 HE22 GLN 525 0.876 10.816 -9.912 438 H ILE 526 H ILE 526 0.372 5.951 -5.817 439 HA ILE 526 HA ILE 526 -0.873 3.477 -6.223 440 HB ILE 526 HB ILE 526 0.443 4.741 -3.833 441 HG12 ILE 526 HG13 ILE 526 1.224 2.286 -5.415 442 HG13 ILE 526 HG12 ILE 526 1.671 3.907 -5.946 443 HG21 ILE 526 HG21 ILE 526 0.368 2.226 -3.038 444 HG22 ILE 526 HG22 ILE 526 -1.077 2.161 -4.047 445 HG23 ILE 526 HG23 ILE 526 -0.992 3.296 -2.701 446 HD11 ILE 526 HD11 ILE 526 2.200 3.229 -3.099 447 HD12 ILE 526 HD12 ILE 526 3.134 4.228 -4.211 448 HD13 ILE 526 HD13 ILE 526 3.234 2.469 -4.310 449 H VAL 527 H VAL 527 -1.650 6.058 -3.896 450 HA VAL 527 HA VAL 527 -3.747 4.999 -2.524 451 HB VAL 527 HB VAL 527 -3.613 7.784 -3.705 452 HG11 VAL 527 HG11 VAL 527 -5.052 8.211 -1.583 453 HG12 VAL 527 HG12 VAL 527 -5.396 6.483 -1.658 454 HG13 VAL 527 HG13 VAL 527 -5.841 7.530 -3.006 455 HG21 VAL 527 HG21 VAL 527 -1.952 6.528 -1.843 456 HG22 VAL 527 HG22 VAL 527 -3.095 7.439 -0.854 457 HG23 VAL 527 HG23 VAL 527 -2.127 8.269 -2.071 458 H ASN 528 H ASN 528 -3.921 6.425 -5.782 459 HA ASN 528 HA ASN 528 -6.701 6.086 -6.145 460 HB2 ASN 528 HB3 ASN 528 -4.723 5.892 -8.400 461 HB3 ASN 528 HB2 ASN 528 -6.329 6.620 -8.396 462 HD21 ASN 528 HD21 ASN 528 -5.508 7.817 -5.611 463 HD22 ASN 528 HD22 ASN 528 -4.599 9.182 -6.046 464 H LEU 529 H LEU 529 -3.941 3.976 -6.831 465 HA LEU 529 HA LEU 529 -5.309 1.946 -8.202 466 HB2 LEU 529 HB3 LEU 529 -2.723 2.316 -7.024 467 HB3 LEU 529 HB2 LEU 529 -3.332 0.731 -6.562 468 HG LEU 529 HG LEU 529 -2.075 0.636 -8.687 469 HD11 LEU 529 HD11 LEU 529 -4.677 -0.356 -8.173 470 HD12 LEU 529 HD12 LEU 529 -3.471 -1.029 -9.269 471 HD13 LEU 529 HD13 LEU 529 -4.654 0.133 -9.867 472 HD21 LEU 529 HD21 LEU 529 -3.299 3.075 -9.198 473 HD22 LEU 529 HD22 LEU 529 -4.142 1.968 -10.282 474 HD23 LEU 529 HD23 LEU 529 -2.388 2.122 -10.369 475 H ILE 530 H ILE 530 -5.005 2.584 -4.758 476 HA ILE 530 HA ILE 530 -6.147 0.106 -3.891 477 HB ILE 530 HB ILE 530 -6.191 2.695 -2.342 478 HG12 ILE 530 HG13 ILE 530 -3.936 2.538 -3.150 479 HG13 ILE 530 HG12 ILE 530 -3.916 1.920 -1.502 480 HG21 ILE 530 HG21 ILE 530 -5.490 0.092 -1.123 481 HG22 ILE 530 HG22 ILE 530 -7.147 0.231 -1.704 482 HG23 ILE 530 HG23 ILE 530 -6.528 1.378 -0.515 483 HD11 ILE 530 HD11 ILE 530 -4.280 -0.406 -2.573 484 HD12 ILE 530 HD12 ILE 530 -2.679 0.316 -2.723 485 HD13 ILE 530 HD13 ILE 530 -3.798 0.365 -4.084 486 H GLU 531 H GLU 531 -7.422 3.299 -4.658 487 HA GLU 531 HA GLU 531 -10.067 2.810 -3.701 488 HB2 GLU 531 HB3 GLU 531 -8.838 4.858 -5.533 489 HB3 GLU 531 HB2 GLU 531 -10.583 4.789 -5.285 490 HG2 GLU 531 HG3 GLU 531 -10.264 5.016 -2.859 491 HG3 GLU 531 HG2 GLU 531 -8.515 5.046 -3.081 492 H GLU 532 H GLU 532 -8.392 2.231 -6.720 493 HA GLU 532 HA GLU 532 -10.622 1.821 -8.396 494 HB2 GLU 532 HB3 GLU 532 -7.753 0.988 -8.444 495 HB3 GLU 532 HB2 GLU 532 -8.874 0.199 -9.554 496 HG2 GLU 532 HG3 GLU 532 -9.587 2.398 -10.410 497 HG3 GLU 532 HG2 GLU 532 -8.475 3.193 -9.295 498 H THR 533 H THR 533 -8.715 -0.489 -6.468 499 HA THR 533 HA THR 533 -10.353 -2.734 -7.164 500 HB THR 533 HB THR 533 -8.077 -3.166 -6.504 501 HG1 THR 533 HG1 THR 533 -8.805 -4.208 -4.256 502 HG21 THR 533 HG21 THR 533 -7.676 -1.180 -5.156 503 HG22 THR 533 HG22 THR 533 -7.322 -2.610 -4.188 504 HG23 THR 533 HG23 THR 533 -8.831 -1.731 -3.943 505 H GLY 534 H GLY 534 -11.160 -0.094 -5.491 506 HA2 GLY 534 HA3 GLY 534 -12.613 0.404 -3.757 507 HA3 GLY 534 HA2 GLY 534 -13.561 -0.884 -4.496 508 H HIS 535 H HIS 535 -10.424 -1.456 -3.061 509 HA HIS 535 HA HIS 535 -11.741 -2.889 -0.824 510 HB2 HIS 535 HB3 HIS 535 -9.812 -3.793 -2.808 511 HB3 HIS 535 HB2 HIS 535 -9.241 -4.054 -1.159 512 HD1 HIS 535 HD1 HIS 535 -9.767 -6.461 -0.692 513 HD2 HIS 535 HD2 HIS 535 -12.977 -4.489 -2.480 514 HE1 HIS 535 HE1 HIS 535 -11.700 -8.097 -0.698 515 HE2 HIS 535 HE2 HIS 535 -13.664 -6.910 -1.785 516 H PHE 536 H PHE 536 -11.530 -1.323 0.743 517 HA PHE 536 HA PHE 536 -9.036 -1.122 2.076 518 HB2 PHE 536 HB3 PHE 536 -8.590 1.268 1.768 519 HB3 PHE 536 HB2 PHE 536 -8.508 0.416 0.226 520 HD1 PHE 536 HD1 PHE 536 -10.488 2.742 2.298 521 HD2 PHE 536 HD2 PHE 536 -10.202 0.731 -1.486 522 HE1 PHE 536 HE1 PHE 536 -12.247 4.228 1.376 523 HE2 PHE 536 HE2 PHE 536 -11.956 2.216 -2.410 524 HZ PHE 536 HZ PHE 536 -12.982 3.965 -0.980 525 H HIS 537 H HIS 537 -9.257 1.044 3.615 526 HA HIS 537 HA HIS 537 -12.028 1.248 4.552 527 HB2 HIS 537 HB3 HIS 537 -11.027 -0.636 5.798 528 HB3 HIS 537 HB2 HIS 537 -9.721 0.422 6.332 529 HD1 HIS 537 HD1 HIS 537 -13.086 -0.661 7.222 530 HD2 HIS 537 HD2 HIS 537 -10.757 2.722 7.931 531 HE1 HIS 537 HE1 HIS 537 -14.174 0.564 9.153 532 HE2 HIS 537 HE2 HIS 537 -12.766 2.631 9.598 533 H ILE 538 H ILE 538 -12.182 3.415 4.181 534 HA ILE 538 HA ILE 538 -10.046 5.183 5.096 535 HB ILE 538 HB ILE 538 -11.027 5.545 2.867 536 HG12 ILE 538 HG13 ILE 538 -12.104 7.930 4.126 537 HG13 ILE 538 HG12 ILE 538 -10.578 7.451 4.872 538 HG21 ILE 538 HG21 ILE 538 -13.565 6.398 4.248 539 HG22 ILE 538 HG22 ILE 538 -13.342 4.731 3.716 540 HG23 ILE 538 HG23 ILE 538 -13.305 6.047 2.541 541 HD11 ILE 538 HD11 ILE 538 -9.516 7.335 2.660 542 HD12 ILE 538 HD12 ILE 538 -10.199 8.940 2.933 543 HD13 ILE 538 HD13 ILE 538 -11.040 7.787 1.897 544 H THR 539 H THR 539 -10.141 6.309 6.934 545 HA THR 539 HA THR 539 -12.583 6.130 8.552 546 HB THR 539 HB THR 539 -9.864 7.170 9.370 547 HG1 THR 539 HG1 THR 539 -10.314 4.837 10.422 548 HG21 THR 539 HG21 THR 539 -10.746 6.597 11.641 549 HG22 THR 539 HG22 THR 539 -12.305 6.239 10.899 550 HG23 THR 539 HG23 THR 539 -11.657 7.878 10.841 551 H ASN 540 H ASN 540 -13.480 7.983 9.564 552 HA ASN 540 HA ASN 540 -13.638 10.266 7.870 553 HB2 ASN 540 HB3 ASN 540 -14.862 9.350 10.387 554 HB3 ASN 540 HB2 ASN 540 -14.728 11.102 10.227 555 HD21 ASN 540 HD21 ASN 540 -16.765 11.799 9.530 556 HD22 ASN 540 HD22 ASN 540 -17.623 11.117 8.233 557 H THR 541 H THR 541 -11.206 9.354 9.875 558 HA THR 541 HA THR 541 -10.291 12.136 10.173 559 HB THR 541 HB THR 541 -9.271 11.048 12.435 560 HG1 THR 541 HG1 THR 541 -11.539 9.628 11.706 561 HG21 THR 541 HG21 THR 541 -11.931 12.427 12.006 562 HG22 THR 541 HG22 THR 541 -10.383 13.181 12.383 563 HG23 THR 541 HG23 THR 541 -11.202 12.197 13.596 564 H THR 542 H THR 542 -9.754 9.253 8.834 565 HA THR 542 HA THR 542 -7.008 9.776 8.281 566 HB THR 542 HB THR 542 -7.227 7.157 9.658 567 HG1 THR 542 HG1 THR 542 -7.911 8.082 11.405 568 HG21 THR 542 HG21 THR 542 -4.928 7.728 10.287 569 HG22 THR 542 HG22 THR 542 -5.139 9.352 9.636 570 HG23 THR 542 HG23 THR 542 -5.158 7.960 8.555 571 H PHE 543 H PHE 543 -6.034 7.945 6.980 572 HA PHE 543 HA PHE 543 -8.134 6.432 5.556 573 HB2 PHE 543 HB3 PHE 543 -7.613 8.129 4.022 574 HB3 PHE 543 HB2 PHE 543 -5.904 8.118 4.456 575 HD1 PHE 543 HD1 PHE 543 -8.360 5.452 3.448 576 HD2 PHE 543 HD2 PHE 543 -4.585 7.363 2.696 577 HE1 PHE 543 HE1 PHE 543 -7.893 3.825 1.637 578 HE2 PHE 543 HE2 PHE 543 -4.121 5.738 0.886 579 HZ PHE 543 HZ PHE 543 -5.773 3.968 0.356 580 H ASP 544 H ASP 544 -7.804 4.339 5.971 581 HA ASP 544 HA ASP 544 -5.027 3.320 5.907 582 HB2 ASP 544 HB3 ASP 544 -6.730 1.620 7.461 583 HB3 ASP 544 HB2 ASP 544 -5.267 2.470 7.956 584 H PHE 545 H PHE 545 -4.814 1.100 5.248 585 HA PHE 545 HA PHE 545 -7.072 -0.175 3.946 586 HB2 PHE 545 HB3 PHE 545 -6.208 -0.126 1.721 587 HB3 PHE 545 HB2 PHE 545 -6.192 1.539 2.300 588 HD1 PHE 545 HD2 PHE 545 -3.919 2.168 3.654 589 HD2 PHE 545 HD1 PHE 545 -4.286 -0.879 0.644 590 HE1 PHE 545 HE2 PHE 545 -1.480 2.276 3.246 591 HE2 PHE 545 HE1 PHE 545 -1.851 -0.751 0.233 592 HZ PHE 545 HZ PHE 545 -0.444 0.819 1.532 593 H ASP 546 H ASP 546 -6.743 -2.352 3.600 594 HA ASP 546 HA ASP 546 -4.452 -3.494 4.983 595 HB2 ASP 546 HB3 ASP 546 -6.097 -5.505 3.821 596 HB3 ASP 546 HB2 ASP 546 -5.955 -5.063 5.520 597 H LEU 547 H LEU 547 -2.824 -4.627 4.078 598 HA LEU 547 HA LEU 547 -2.406 -4.393 1.219 599 HB2 LEU 547 HB3 LEU 547 -0.803 -5.307 3.569 600 HB3 LEU 547 HB2 LEU 547 -0.301 -5.824 1.963 601 HG LEU 547 HG LEU 547 0.746 -3.651 2.798 602 HD11 LEU 547 HD11 LEU 547 1.099 -3.317 0.616 603 HD12 LEU 547 HD12 LEU 547 -0.501 -2.595 0.467 604 HD13 LEU 547 HD13 LEU 547 -0.295 -4.324 0.226 605 HD21 LEU 547 HD21 LEU 547 -1.936 -2.420 2.159 606 HD22 LEU 547 HD22 LEU 547 -0.566 -1.695 2.975 607 HD23 LEU 547 HD23 LEU 547 -1.519 -2.924 3.793 608 H CYS 548 H CYS 548 -3.233 -6.896 3.535 609 HA CYS 548 HA CYS 548 -2.973 -9.056 1.643 610 HB2 CYS 548 HB3 CYS 548 -2.986 -9.007 4.327 611 HB3 CYS 548 HB2 CYS 548 -4.693 -9.356 4.051 612 HG CYS 548 HG CYS 548 -2.548 -11.137 2.651 613 H SER 549 H SER 549 -5.080 -6.555 1.761 614 HA SER 549 HA SER 549 -7.437 -8.147 0.993 615 HB2 SER 549 HB3 SER 549 -8.648 -5.974 1.134 616 HB3 SER 549 HB2 SER 549 -7.891 -6.437 2.653 617 HG SER 549 HG SER 549 -7.599 -4.184 1.596 618 H LEU 550 H LEU 550 -4.903 -6.226 -0.279 619 HA LEU 550 HA LEU 550 -6.218 -5.390 -2.689 620 HB2 LEU 550 HB3 LEU 550 -3.248 -5.702 -2.223 621 HB3 LEU 550 HB2 LEU 550 -4.048 -4.663 -3.401 622 HG LEU 550 HG LEU 550 -4.103 -4.385 -0.385 623 HD11 LEU 550 HD11 LEU 550 -2.107 -3.432 -1.217 624 HD12 LEU 550 HD12 LEU 550 -3.222 -2.074 -1.073 625 HD13 LEU 550 HD13 LEU 550 -2.911 -2.790 -2.650 626 HD21 LEU 550 HD21 LEU 550 -5.405 -2.235 -1.044 627 HD22 LEU 550 HD22 LEU 550 -6.287 -3.759 -1.014 628 HD23 LEU 550 HD23 LEU 550 -5.742 -3.085 -2.550 629 H ASP 551 H ASP 551 -6.862 -6.746 -4.220 630 HA ASP 551 HA ASP 551 -6.198 -9.435 -4.455 631 HB2 ASP 551 HB3 ASP 551 -6.849 -7.797 -6.882 632 HB3 ASP 551 HB2 ASP 551 -7.380 -9.426 -6.464 633 H LYS 552 H LYS 552 -5.385 -9.978 -6.996 634 HA LYS 552 HA LYS 552 -2.540 -9.617 -6.792 635 HB2 LYS 552 HB3 LYS 552 -2.622 -10.843 -9.058 636 HB3 LYS 552 HB2 LYS 552 -3.197 -11.716 -7.637 637 HG2 LYS 552 HG3 LYS 552 -5.275 -10.106 -8.961 638 HG3 LYS 552 HG2 LYS 552 -4.626 -11.402 -9.968 639 HD2 LYS 552 HD3 LYS 552 -5.060 -13.030 -8.162 640 HD3 LYS 552 HD2 LYS 552 -5.712 -11.736 -7.154 641 HE2 LYS 552 HE3 LYS 552 -7.707 -12.347 -8.063 642 HE3 LYS 552 HE2 LYS 552 -7.163 -11.394 -9.445 643 HZ1 LYS 552 HZ1 LYS 552 -7.420 -14.255 -9.164 644 HZ2 LYS 552 HZ2 LYS 552 -5.960 -13.756 -9.878 645 HZ3 LYS 552 HZ3 LYS 552 -7.444 -13.295 -10.562 646 H THR 553 H THR 553 -5.145 -8.251 -8.714 647 HA THR 553 HA THR 553 -3.720 -7.044 -10.772 648 HB THR 553 HB THR 553 -5.973 -5.596 -9.415 649 HG1 THR 553 HG1 THR 553 -7.290 -7.090 -10.742 650 HG21 THR 553 HG21 THR 553 -6.416 -4.782 -11.541 651 HG22 THR 553 HG22 THR 553 -5.722 -6.195 -12.338 652 HG23 THR 553 HG23 THR 553 -4.665 -4.974 -11.628 653 H THR 554 H THR 554 -4.648 -5.538 -7.658 654 HA THR 554 HA THR 554 -3.171 -3.175 -8.021 655 HB THR 554 HB THR 554 -3.177 -3.594 -5.286 656 HG1 THR 554 HG1 THR 554 -5.685 -4.381 -5.721 657 HG21 THR 554 HG21 THR 554 -5.231 -2.427 -7.174 658 HG22 THR 554 HG22 THR 554 -3.972 -1.569 -6.284 659 HG23 THR 554 HG23 THR 554 -5.344 -2.265 -5.422 660 H VAL 555 H VAL 555 -2.323 -6.022 -6.029 661 HA VAL 555 HA VAL 555 0.187 -5.320 -5.201 662 HB VAL 555 HB VAL 555 -0.716 -8.044 -6.171 663 HG11 VAL 555 HG11 VAL 555 1.487 -8.547 -5.925 664 HG12 VAL 555 HG12 VAL 555 1.161 -8.428 -4.195 665 HG13 VAL 555 HG13 VAL 555 1.826 -7.045 -5.065 666 HG21 VAL 555 HG21 VAL 555 -0.425 -7.404 -3.293 667 HG22 VAL 555 HG22 VAL 555 -1.680 -8.328 -4.118 668 HG23 VAL 555 HG23 VAL 555 -1.738 -6.566 -4.118 669 H ARG 556 H ARG 556 -0.709 -6.635 -8.370 670 HA ARG 556 HA ARG 556 1.938 -6.836 -9.382 671 HB2 ARG 556 HB3 ARG 556 -0.752 -6.619 -10.743 672 HB3 ARG 556 HB2 ARG 556 0.760 -6.861 -11.621 673 HG2 ARG 556 HG3 ARG 556 0.245 -8.677 -9.320 674 HG3 ARG 556 HG2 ARG 556 -0.745 -8.919 -10.759 675 HD2 ARG 556 HD3 ARG 556 1.241 -9.145 -12.145 676 HD3 ARG 556 HD2 ARG 556 2.280 -8.754 -10.778 677 HE ARG 556 HE ARG 556 0.689 -10.990 -10.107 678 HH11 ARG 556 HH21 ARG 556 3.263 -10.019 -12.206 679 HH12 ARG 556 HH22 ARG 556 3.986 -11.592 -12.276 680 HH21 ARG 556 HH11 ARG 556 1.632 -13.056 -10.192 681 HH22 ARG 556 HH12 ARG 556 3.062 -13.311 -11.135 682 H LYS 557 H LYS 557 -0.556 -4.318 -9.623 683 HA LYS 557 HA LYS 557 0.800 -2.573 -11.345 684 HB2 LYS 557 HB3 LYS 557 -1.616 -2.548 -10.010 685 HB3 LYS 557 HB2 LYS 557 -0.735 -1.225 -9.250 686 HG2 LYS 557 HG3 LYS 557 -1.842 -0.265 -11.138 687 HG3 LYS 557 HG2 LYS 557 -0.149 -0.431 -11.601 688 HD2 LYS 557 HD3 LYS 557 -0.850 -1.592 -13.401 689 HD3 LYS 557 HD2 LYS 557 -1.313 -2.886 -12.295 690 HE2 LYS 557 HE3 LYS 557 -3.087 -0.560 -13.099 691 HE3 LYS 557 HE2 LYS 557 -3.208 -2.200 -13.736 692 HZ1 LYS 557 HZ1 LYS 557 -3.171 -2.406 -10.969 693 HZ2 LYS 557 HZ2 LYS 557 -4.479 -2.698 -12.013 694 HZ3 LYS 557 HZ3 LYS 557 -4.259 -1.157 -11.335 695 H LEU 558 H LEU 558 1.038 -3.044 -7.866 696 HA LEU 558 HA LEU 558 2.610 -0.744 -7.303 697 HB2 LEU 558 HB3 LEU 558 2.446 -3.391 -5.842 698 HB3 LEU 558 HB2 LEU 558 3.161 -1.915 -5.195 699 HG LEU 558 HG LEU 558 0.278 -2.184 -6.102 700 HD11 LEU 558 HD11 LEU 558 0.702 -1.622 -3.289 701 HD12 LEU 558 HD12 LEU 558 1.472 -3.139 -3.746 702 HD13 LEU 558 HD13 LEU 558 -0.252 -2.903 -4.034 703 HD21 LEU 558 HD21 LEU 558 1.972 0.062 -5.085 704 HD22 LEU 558 HD22 LEU 558 0.292 -0.006 -4.559 705 HD23 LEU 558 HD23 LEU 558 0.673 0.087 -6.278 706 H GLN 559 H GLN 559 3.494 -4.156 -7.848 707 HA GLN 559 HA GLN 559 6.249 -3.949 -7.569 708 HB2 GLN 559 HB3 GLN 559 4.391 -5.855 -8.613 709 HB3 GLN 559 HB2 GLN 559 5.728 -5.700 -9.752 710 HG2 GLN 559 HG3 GLN 559 6.074 -6.132 -6.771 711 HG3 GLN 559 HG2 GLN 559 6.136 -7.420 -7.974 712 HE21 GLN 559 HE21 GLN 559 8.166 -5.545 -6.188 713 HE22 GLN 559 HE22 GLN 559 9.483 -5.440 -7.253 714 H SER 560 H SER 560 4.194 -3.069 -10.282 715 HA SER 560 HA SER 560 6.346 -2.608 -12.124 716 HB2 SER 560 HB3 SER 560 4.562 -2.705 -13.486 717 HB3 SER 560 HB2 SER 560 3.449 -2.470 -12.142 718 HG SER 560 HG SER 560 3.431 -0.370 -12.511 719 H TYR 561 H TYR 561 4.299 -0.510 -10.103 720 HA TYR 561 HA TYR 561 5.176 1.981 -10.858 721 HB2 TYR 561 HB3 TYR 561 4.119 0.812 -8.361 722 HB3 TYR 561 HB2 TYR 561 5.022 2.312 -8.159 723 HD1 TYR 561 HD2 TYR 561 4.474 4.147 -10.057 724 HD2 TYR 561 HD1 TYR 561 1.833 1.004 -8.791 725 HE1 TYR 561 HE2 TYR 561 2.532 5.438 -10.903 726 HE2 TYR 561 HE1 TYR 561 -0.106 2.292 -9.640 727 HH TYR 561 HH TYR 561 -0.719 4.053 -10.936 728 H LEU 562 H LEU 562 6.721 -0.215 -8.524 729 HA LEU 562 HA LEU 562 8.863 1.501 -7.848 730 HB2 LEU 562 HB3 LEU 562 8.615 -1.514 -7.783 731 HB3 LEU 562 HB2 LEU 562 9.989 -0.631 -7.116 732 HG LEU 562 HG LEU 562 7.396 0.441 -6.253 733 HD11 LEU 562 HD11 LEU 562 6.724 -1.898 -6.338 734 HD12 LEU 562 HD12 LEU 562 6.991 -1.446 -4.654 735 HD13 LEU 562 HD13 LEU 562 8.206 -2.388 -5.516 736 HD21 LEU 562 HD21 LEU 562 8.528 0.555 -4.139 737 HD22 LEU 562 HD22 LEU 562 9.731 0.955 -5.366 738 HD23 LEU 562 HD23 LEU 562 9.715 -0.651 -4.639 739 H GLU 563 H GLU 563 8.373 -0.783 -10.472 740 HA GLU 563 HA GLU 563 11.107 -0.629 -11.390 741 HB2 GLU 563 HB3 GLU 563 8.618 -1.812 -12.638 742 HB3 GLU 563 HB2 GLU 563 10.237 -1.943 -13.325 743 HG2 GLU 563 HG3 GLU 563 9.689 -2.790 -10.485 744 HG3 GLU 563 HG2 GLU 563 9.394 -3.889 -11.831 745 H THR 564 H THR 564 8.284 -0.169 -13.455 746 HA THR 564 HA THR 564 9.620 1.976 -14.863 747 HB THR 564 HB THR 564 8.263 0.265 -16.049 748 HG1 THR 564 HG1 THR 564 8.530 2.284 -17.002 749 HG21 THR 564 HG21 THR 564 6.133 -0.206 -15.467 750 HG22 THR 564 HG22 THR 564 5.698 1.501 -15.387 751 HG23 THR 564 HG23 THR 564 6.449 0.717 -13.997 752 H SER 565 H SER 565 8.110 3.903 -15.491 753 HA SER 565 HA SER 565 7.327 5.932 -14.717 754 HB2 SER 565 HB3 SER 565 5.463 4.066 -13.232 755 HB3 SER 565 HB2 SER 565 5.177 5.776 -13.535 756 HG SER 565 HG SER 565 4.495 3.831 -15.076 757 H GLY 566 H GLY 566 9.371 6.238 -13.521 758 HA2 GLY 566 HA3 GLY 566 9.060 7.327 -11.022 759 HA3 GLY 566 HA2 GLY 566 9.494 5.648 -10.714 760 H THR 567 H THR 567 10.544 8.156 -13.034 761 HA THR 567 HA THR 567 13.338 7.400 -12.471 762 HB THR 567 HB THR 567 12.590 7.287 -14.835 763 HG1 THR 567 HG1 THR 567 14.432 8.132 -15.504 764 HG21 THR 567 HG21 THR 567 11.754 9.129 -15.991 765 HG22 THR 567 HG22 THR 567 12.434 10.284 -14.845 766 HG23 THR 567 HG23 THR 567 11.012 9.338 -14.405 767 H SER 568 H SER 568 14.665 8.770 -11.449 768 HA SER 568 HA SER 568 13.999 11.630 -11.355 769 HB2 SER 568 HB3 SER 568 14.928 10.981 -8.777 770 HB3 SER 568 HB2 SER 568 13.313 11.518 -9.227 771 HG SER 568 HG SER 568 13.206 9.513 -8.196 Start of MODEL 7 1 H1 THR 326 H1 THR 326 10.356 -17.114 8.093 2 H2 THR 326 H2 THR 326 8.730 -16.637 8.221 3 H3 THR 326 H3 THR 326 9.123 -18.182 7.632 4 HA THR 326 HA THR 326 9.744 -18.978 9.703 5 HB THR 326 HB THR 326 11.213 -17.126 10.316 6 HG1 THR 326 HG1 THR 326 10.933 -17.669 12.308 7 HG21 THR 326 HG21 THR 326 8.897 -15.577 9.780 8 HG22 THR 326 HG22 THR 326 10.503 -14.998 10.221 9 HG23 THR 326 HG23 THR 326 9.307 -15.320 11.475 10 H GLN 327 H GLN 327 8.446 -18.869 11.891 11 HA GLN 327 HA GLN 327 6.346 -19.336 12.745 12 HB2 GLN 327 HB3 GLN 327 5.965 -16.517 11.706 13 HB3 GLN 327 HB2 GLN 327 4.912 -17.317 12.874 14 HG2 GLN 327 HG3 GLN 327 6.871 -17.624 14.380 15 HG3 GLN 327 HG2 GLN 327 7.863 -16.726 13.234 16 HE21 GLN 327 HE21 GLN 327 5.423 -14.945 12.628 17 HE22 GLN 327 HE22 GLN 327 5.366 -13.873 13.943 18 H GLY 328 H GLY 328 4.544 -17.233 10.803 19 HA2 GLY 328 HA3 GLY 328 3.321 -17.582 8.816 20 HA3 GLY 328 HA2 GLY 328 3.854 -19.261 8.807 21 H GLY 329 H GLY 329 1.156 -17.592 8.939 22 HA2 GLY 329 HA3 GLY 329 -0.488 -19.609 9.914 23 HA3 GLY 329 HA2 GLY 329 -0.191 -18.521 11.268 24 H ARG 330 H ARG 330 -1.123 -16.495 11.296 25 HA ARG 330 HA ARG 330 -2.669 -15.628 8.959 26 HB2 ARG 330 HB3 ARG 330 -3.954 -15.726 11.685 27 HB3 ARG 330 HB2 ARG 330 -4.721 -15.436 10.123 28 HG2 ARG 330 HG3 ARG 330 -4.029 -17.764 9.441 29 HG3 ARG 330 HG2 ARG 330 -3.503 -18.031 11.103 30 HD2 ARG 330 HD3 ARG 330 -6.096 -16.935 11.281 31 HD3 ARG 330 HD2 ARG 330 -6.173 -18.146 10.006 32 HE ARG 330 HE ARG 330 -4.791 -19.300 12.139 33 HH11 ARG 330 HH21 ARG 330 -7.906 -17.970 11.437 34 HH12 ARG 330 HH22 ARG 330 -8.747 -18.987 12.559 35 HH21 ARG 330 HH11 ARG 330 -5.886 -20.636 13.615 36 HH22 ARG 330 HH12 ARG 330 -7.603 -20.496 13.793 37 HA PRO 331 HA PRO 331 -0.546 -12.290 11.524 38 HB2 PRO 331 HB3 PRO 331 1.254 -11.493 9.620 39 HB3 PRO 331 HB2 PRO 331 1.598 -12.748 10.826 40 HG2 PRO 331 HG3 PRO 331 0.846 -13.027 7.964 41 HG3 PRO 331 HG2 PRO 331 1.981 -13.979 8.935 42 HD2 PRO 331 HD3 PRO 331 -0.560 -14.829 8.315 43 HD3 PRO 331 HD2 PRO 331 0.331 -15.354 9.760 44 H SER 332 H SER 332 -0.717 -9.996 11.160 45 HA SER 332 HA SER 332 -2.653 -9.320 9.046 46 HB2 SER 332 HB3 SER 332 -3.561 -8.617 11.076 47 HB3 SER 332 HB2 SER 332 -1.991 -8.160 11.732 48 HG SER 332 HG SER 332 -3.538 -6.455 10.913 49 H LEU 333 H LEU 333 -2.421 -7.239 7.963 50 HA LEU 333 HA LEU 333 0.193 -5.981 7.972 51 HB2 LEU 333 HB3 LEU 333 0.121 -8.109 6.405 52 HB3 LEU 333 HB2 LEU 333 -0.710 -7.006 5.317 53 HG LEU 333 HG LEU 333 1.250 -5.368 5.842 54 HD11 LEU 333 HD11 LEU 333 3.080 -6.137 6.936 55 HD12 LEU 333 HD12 LEU 333 2.999 -7.714 6.146 56 HD13 LEU 333 HD13 LEU 333 2.000 -7.382 7.560 57 HD21 LEU 333 HD21 LEU 333 2.711 -7.077 4.249 58 HD22 LEU 333 HD22 LEU 333 1.475 -5.971 3.667 59 HD23 LEU 333 HD23 LEU 333 1.067 -7.651 3.990 60 H ILE 334 H ILE 334 -0.677 -4.010 8.345 61 HA ILE 334 HA ILE 334 -2.416 -2.904 6.236 62 HB ILE 334 HB ILE 334 -2.735 -2.325 9.185 63 HG12 ILE 334 HG13 ILE 334 -4.448 -4.015 7.334 64 HG13 ILE 334 HG12 ILE 334 -3.380 -4.657 8.579 65 HG21 ILE 334 HG21 ILE 334 -3.391 -0.491 7.649 66 HG22 ILE 334 HG22 ILE 334 -4.802 -1.205 8.428 67 HG23 ILE 334 HG23 ILE 334 -4.419 -1.615 6.757 68 HD11 ILE 334 HD11 ILE 334 -4.944 -2.700 9.868 69 HD12 ILE 334 HD12 ILE 334 -5.078 -4.450 10.044 70 HD13 ILE 334 HD13 ILE 334 -6.064 -3.606 8.849 71 H ALA 335 H ALA 335 -2.005 -0.822 5.633 72 HA ALA 335 HA ALA 335 0.256 0.527 6.985 73 HB1 ALA 335 HB1 ALA 335 1.296 0.236 4.999 74 HB2 ALA 335 HB2 ALA 335 0.274 1.565 4.455 75 HB3 ALA 335 HB3 ALA 335 -0.210 -0.101 4.149 76 H ARG 336 H ARG 336 -0.130 2.499 7.729 77 HA ARG 336 HA ARG 336 -2.708 3.759 7.111 78 HB2 ARG 336 HB3 ARG 336 -0.654 4.426 9.240 79 HB3 ARG 336 HB2 ARG 336 -2.246 5.168 9.072 80 HG2 ARG 336 HG3 ARG 336 -3.313 2.970 9.400 81 HG3 ARG 336 HG2 ARG 336 -1.725 2.220 9.563 82 HD2 ARG 336 HD3 ARG 336 -2.424 4.541 11.328 83 HD3 ARG 336 HD2 ARG 336 -3.073 2.950 11.713 84 HE ARG 336 HE ARG 336 -0.355 3.804 12.046 85 HH11 ARG 336 HH21 ARG 336 -2.413 1.127 11.292 86 HH12 ARG 336 HH22 ARG 336 -1.297 -0.070 11.862 87 HH21 ARG 336 HH11 ARG 336 1.113 2.242 12.796 88 HH22 ARG 336 HH12 ARG 336 0.700 0.563 12.713 89 H ILE 337 H ILE 337 -2.877 5.559 5.921 90 HA ILE 337 HA ILE 337 -0.427 7.089 5.318 91 HB ILE 337 HB ILE 337 -2.454 6.989 3.178 92 HG12 ILE 337 HG13 ILE 337 -0.779 4.566 3.920 93 HG13 ILE 337 HG12 ILE 337 -2.542 4.647 3.911 94 HG21 ILE 337 HG21 ILE 337 0.548 6.539 3.231 95 HG22 ILE 337 HG22 ILE 337 -0.210 8.125 3.101 96 HG23 ILE 337 HG23 ILE 337 -0.429 6.939 1.814 97 HD11 ILE 337 HD11 ILE 337 -1.840 5.554 1.387 98 HD12 ILE 337 HD12 ILE 337 -2.439 3.942 1.778 99 HD13 ILE 337 HD13 ILE 337 -0.702 4.242 1.684 100 HA PRO 338 HA PRO 338 -3.516 9.930 7.261 101 HB2 PRO 338 HB3 PRO 338 -1.034 11.595 7.164 102 HB3 PRO 338 HB2 PRO 338 -2.195 11.378 8.489 103 HG2 PRO 338 HG3 PRO 338 0.173 10.184 8.537 104 HG3 PRO 338 HG2 PRO 338 -1.280 9.367 9.140 105 HD2 PRO 338 HD3 PRO 338 0.226 8.905 6.601 106 HD3 PRO 338 HD2 PRO 338 -0.675 7.750 7.611 107 H VAL 339 H VAL 339 -4.880 10.942 5.917 108 HA VAL 339 HA VAL 339 -4.425 11.623 3.269 109 HB VAL 339 HB VAL 339 -6.438 13.019 3.433 110 HG11 VAL 339 HG11 VAL 339 -6.539 10.478 5.084 111 HG12 VAL 339 HG12 VAL 339 -6.740 10.598 3.337 112 HG13 VAL 339 HG13 VAL 339 -7.950 11.295 4.412 113 HG21 VAL 339 HG21 VAL 339 -6.476 14.246 5.365 114 HG22 VAL 339 HG22 VAL 339 -5.651 12.996 6.295 115 HG23 VAL 339 HG23 VAL 339 -7.380 12.859 5.975 116 H ALA 340 H ALA 340 -3.687 13.410 6.181 117 HA ALA 340 HA ALA 340 -3.378 15.993 5.203 118 HB1 ALA 340 HB1 ALA 340 -1.475 16.083 6.977 119 HB2 ALA 340 HB2 ALA 340 -1.987 14.441 7.368 120 HB3 ALA 340 HB3 ALA 340 -3.126 15.779 7.519 121 H ARG 341 H ARG 341 -1.697 13.191 4.304 122 HA ARG 341 HA ARG 341 0.655 14.681 3.368 123 HB2 ARG 341 HB3 ARG 341 0.022 11.739 3.578 124 HB3 ARG 341 HB2 ARG 341 1.437 12.345 2.719 125 HG2 ARG 341 HG3 ARG 341 2.149 13.541 4.779 126 HG3 ARG 341 HG2 ARG 341 0.770 12.846 5.633 127 HD2 ARG 341 HD3 ARG 341 1.709 10.562 4.804 128 HD3 ARG 341 HD2 ARG 341 3.204 11.455 4.539 129 HE ARG 341 HE ARG 341 2.339 12.046 7.133 130 HH11 ARG 341 HH21 ARG 341 3.364 9.332 5.246 131 HH12 ARG 341 HH22 ARG 341 4.038 8.475 6.591 132 HH21 ARG 341 HH11 ARG 341 3.222 10.928 8.902 133 HH22 ARG 341 HH12 ARG 341 3.959 9.379 8.662 134 H ILE 342 H ILE 342 -1.645 12.284 2.056 135 HA ILE 342 HA ILE 342 -0.966 12.811 -0.659 136 HB ILE 342 HB ILE 342 -3.516 11.578 0.412 137 HG12 ILE 342 HG13 ILE 342 -1.525 9.704 -0.538 138 HG13 ILE 342 HG12 ILE 342 -0.858 10.679 0.768 139 HG21 ILE 342 HG21 ILE 342 -3.573 10.454 -1.755 140 HG22 ILE 342 HG22 ILE 342 -2.041 11.198 -2.212 141 HG23 ILE 342 HG23 ILE 342 -3.482 12.196 -2.008 142 HD11 ILE 342 HD11 ILE 342 -3.551 9.305 0.931 143 HD12 ILE 342 HD12 ILE 342 -2.657 10.069 2.247 144 HD13 ILE 342 HD13 ILE 342 -2.057 8.580 1.518 145 H LEU 343 H LEU 343 -3.943 13.554 1.172 146 HA LEU 343 HA LEU 343 -4.986 15.286 -0.824 147 HB2 LEU 343 HB3 LEU 343 -5.638 14.712 2.042 148 HB3 LEU 343 HB2 LEU 343 -6.403 16.080 1.239 149 HG LEU 343 HG LEU 343 -7.735 13.950 1.094 150 HD11 LEU 343 HD11 LEU 343 -8.563 14.613 -0.910 151 HD12 LEU 343 HD12 LEU 343 -7.025 14.345 -1.732 152 HD13 LEU 343 HD13 LEU 343 -7.311 15.854 -0.868 153 HD21 LEU 343 HD21 LEU 343 -5.591 12.548 0.894 154 HD22 LEU 343 HD22 LEU 343 -5.577 13.015 -0.806 155 HD23 LEU 343 HD23 LEU 343 -6.930 12.088 -0.158 156 H GLY 344 H GLY 344 -3.444 15.945 2.320 157 HA2 GLY 344 HA3 GLY 344 -2.020 17.703 2.873 158 HA3 GLY 344 HA2 GLY 344 -2.264 18.373 1.263 159 H ASP 345 H ASP 345 -3.363 20.220 1.195 160 HA ASP 345 HA ASP 345 -5.768 20.654 2.686 161 HB2 ASP 345 HB3 ASP 345 -4.749 22.755 3.829 162 HB3 ASP 345 HB2 ASP 345 -4.495 21.177 4.573 163 HA PRO 346 HA PRO 346 -5.161 22.867 -1.395 164 HB2 PRO 346 HB3 PRO 346 -8.091 22.303 -1.357 165 HB3 PRO 346 HB2 PRO 346 -6.923 22.116 -2.680 166 HG2 PRO 346 HG3 PRO 346 -7.864 20.010 -1.349 167 HG3 PRO 346 HG2 PRO 346 -6.190 20.077 -1.926 168 HD2 PRO 346 HD3 PRO 346 -7.234 20.382 0.857 169 HD3 PRO 346 HD2 PRO 346 -5.688 19.707 0.298 170 H GLU 347 H GLU 347 -5.023 25.023 -1.138 171 HA GLU 347 HA GLU 347 -7.355 26.516 -0.218 172 HB2 GLU 347 HB3 GLU 347 -5.921 27.843 1.376 173 HB3 GLU 347 HB2 GLU 347 -6.246 26.185 1.884 174 HG2 GLU 347 HG3 GLU 347 -4.051 25.703 1.887 175 HG3 GLU 347 HG2 GLU 347 -3.892 26.247 0.218 176 H GLU 348 H GLU 348 -6.499 26.458 -2.769 177 HA GLU 348 HA GLU 348 -4.527 28.411 -3.419 178 HB2 GLU 348 HB3 GLU 348 -6.402 26.687 -4.844 179 HB3 GLU 348 HB2 GLU 348 -6.219 28.267 -5.605 180 HG2 GLU 348 HG3 GLU 348 -4.544 26.660 -6.458 181 HG3 GLU 348 HG2 GLU 348 -3.775 28.000 -5.609 182 H GLU 349 H GLU 349 -7.505 28.760 -2.025 183 HA GLU 349 HA GLU 349 -8.054 31.357 -3.306 184 HB2 GLU 349 HB3 GLU 349 -9.747 29.608 -1.509 185 HB3 GLU 349 HB2 GLU 349 -10.233 31.203 -2.085 186 HG2 GLU 349 HG3 GLU 349 -10.354 30.502 -4.322 187 HG3 GLU 349 HG2 GLU 349 -9.330 29.096 -4.033 188 H1 MET 499 H1 MET 499 -0.853 -22.034 -4.914 189 H2 MET 499 H2 MET 499 -1.578 -20.598 -5.462 190 H3 MET 499 H3 MET 499 -2.195 -21.398 -4.095 191 HA MET 499 HA MET 499 0.588 -20.432 -4.122 192 HB2 MET 499 HB3 MET 499 -1.933 -18.852 -3.567 193 HB3 MET 499 HB2 MET 499 -0.349 -18.366 -2.964 194 HG2 MET 499 HG3 MET 499 0.431 -17.805 -5.054 195 HG3 MET 499 HG2 MET 499 -0.547 -19.030 -5.863 196 HE1 MET 499 HE1 MET 499 -1.778 -16.958 -7.887 197 HE2 MET 499 HE2 MET 499 -0.143 -16.943 -7.230 198 HE3 MET 499 HE3 MET 499 -1.111 -15.472 -7.196 199 H ASP 500 H ASP 500 1.157 -19.872 -1.820 200 HA ASP 500 HA ASP 500 -0.462 -21.195 0.220 201 HB2 ASP 500 HB3 ASP 500 2.389 -21.984 0.272 202 HB3 ASP 500 HB2 ASP 500 0.952 -22.911 0.700 203 H LYS 501 H LYS 501 2.703 -19.691 -0.440 204 HA LYS 501 HA LYS 501 2.236 -17.879 1.830 205 HB2 LYS 501 HB3 LYS 501 4.832 -19.370 1.371 206 HB3 LYS 501 HB2 LYS 501 4.508 -18.199 2.652 207 HG2 LYS 501 HG3 LYS 501 2.628 -19.691 3.428 208 HG3 LYS 501 HG2 LYS 501 3.188 -20.898 2.269 209 HD2 LYS 501 HD3 LYS 501 5.430 -20.855 3.357 210 HD3 LYS 501 HD2 LYS 501 4.794 -19.737 4.563 211 HE2 LYS 501 HE3 LYS 501 4.298 -21.627 5.729 212 HE3 LYS 501 HE2 LYS 501 2.916 -21.726 4.638 213 HZ1 LYS 501 HZ1 LYS 501 4.256 -23.079 3.139 214 HZ2 LYS 501 HZ2 LYS 501 4.135 -23.800 4.673 215 HZ3 LYS 501 HZ3 LYS 501 5.564 -23.003 4.216 216 H ALA 502 H ALA 502 3.948 -18.641 -1.144 217 HA ALA 502 HA ALA 502 5.600 -16.545 -1.593 218 HB1 ALA 502 HB1 ALA 502 5.336 -16.908 -3.889 219 HB2 ALA 502 HB2 ALA 502 3.618 -17.273 -3.731 220 HB3 ALA 502 HB3 ALA 502 4.822 -18.445 -3.195 221 H TYR 503 H TYR 503 2.139 -16.448 -2.468 222 HA TYR 503 HA TYR 503 1.917 -13.818 -3.200 223 HB2 TYR 503 HB3 TYR 503 0.005 -15.235 -3.410 224 HB3 TYR 503 HB2 TYR 503 -0.028 -15.559 -1.677 225 HD1 TYR 503 HD1 TYR 503 0.124 -12.499 -3.868 226 HD2 TYR 503 HD2 TYR 503 -1.741 -14.468 -0.532 227 HE1 TYR 503 HE1 TYR 503 -1.345 -10.529 -3.526 228 HE2 TYR 503 HE2 TYR 503 -3.205 -12.497 -0.192 229 HH TYR 503 HH TYR 503 -3.619 -10.393 -0.796 230 H LEU 504 H LEU 504 1.588 -15.106 0.111 231 HA LEU 504 HA LEU 504 1.217 -12.611 1.376 232 HB2 LEU 504 HB3 LEU 504 1.789 -15.374 2.202 233 HB3 LEU 504 HB2 LEU 504 2.429 -14.148 3.293 234 HG LEU 504 HG LEU 504 0.209 -13.093 3.435 235 HD11 LEU 504 HD11 LEU 504 -1.637 -14.794 2.442 236 HD12 LEU 504 HD12 LEU 504 -0.344 -15.060 1.271 237 HD13 LEU 504 HD13 LEU 504 -0.997 -13.438 1.514 238 HD21 LEU 504 HD21 LEU 504 0.324 -16.075 3.968 239 HD22 LEU 504 HD22 LEU 504 -0.995 -15.049 4.534 240 HD23 LEU 504 HD23 LEU 504 0.648 -14.767 5.106 241 H ASP 505 H ASP 505 4.114 -14.494 0.632 242 HA ASP 505 HA ASP 505 5.985 -12.937 2.039 243 HB2 ASP 505 HB3 ASP 505 6.181 -15.226 0.683 244 HB3 ASP 505 HB2 ASP 505 6.767 -14.137 -0.573 245 H GLU 506 H GLU 506 4.792 -12.691 -1.302 246 HA GLU 506 HA GLU 506 6.441 -10.585 -2.147 247 HB2 GLU 506 HB3 GLU 506 3.610 -11.280 -2.972 248 HB3 GLU 506 HB2 GLU 506 4.661 -10.156 -3.835 249 HG2 GLU 506 HG3 GLU 506 6.001 -12.686 -3.286 250 HG3 GLU 506 HG2 GLU 506 4.531 -12.916 -4.231 251 H LEU 507 H LEU 507 3.296 -10.557 -0.508 252 HA LEU 507 HA LEU 507 2.879 -7.770 -0.587 253 HB2 LEU 507 HB3 LEU 507 1.831 -10.046 1.022 254 HB3 LEU 507 HB2 LEU 507 1.559 -8.420 1.645 255 HG LEU 507 HG LEU 507 0.891 -9.269 -1.197 256 HD11 LEU 507 HD11 LEU 507 -0.797 -9.224 1.311 257 HD12 LEU 507 HD12 LEU 507 -0.548 -10.559 0.186 258 HD13 LEU 507 HD13 LEU 507 -1.503 -9.161 -0.305 259 HD21 LEU 507 HD21 LEU 507 0.933 -6.735 0.211 260 HD22 LEU 507 HD22 LEU 507 -0.709 -7.116 -0.309 261 HD23 LEU 507 HD23 LEU 507 0.601 -7.051 -1.489 262 H VAL 508 H VAL 508 4.310 -9.837 1.925 263 HA VAL 508 HA VAL 508 4.889 -7.784 3.759 264 HB VAL 508 HB VAL 508 6.464 -10.337 3.369 265 HG11 VAL 508 HG11 VAL 508 7.459 -8.729 4.929 266 HG12 VAL 508 HG12 VAL 508 6.795 -10.099 5.820 267 HG13 VAL 508 HG13 VAL 508 5.918 -8.569 5.772 268 HG21 VAL 508 HG21 VAL 508 3.683 -9.989 3.991 269 HG22 VAL 508 HG22 VAL 508 4.515 -10.543 5.443 270 HG23 VAL 508 HG23 VAL 508 4.616 -11.486 3.956 271 H GLU 509 H GLU 509 6.812 -9.200 1.135 272 HA GLU 509 HA GLU 509 9.187 -7.763 1.615 273 HB2 GLU 509 HB3 GLU 509 9.282 -9.646 0.151 274 HB3 GLU 509 HB2 GLU 509 8.031 -8.976 -0.897 275 HG2 GLU 509 HG3 GLU 509 9.472 -7.510 -1.916 276 HG3 GLU 509 HG2 GLU 509 10.446 -7.294 -0.462 277 H LEU 510 H LEU 510 6.369 -7.036 -0.423 278 HA LEU 510 HA LEU 510 7.315 -4.695 -1.613 279 HB2 LEU 510 HB3 LEU 510 5.282 -5.756 -2.392 280 HB3 LEU 510 HB2 LEU 510 4.503 -5.495 -0.831 281 HG LEU 510 HG LEU 510 5.606 -3.045 -2.005 282 HD11 LEU 510 HD11 LEU 510 3.451 -4.612 -3.437 283 HD12 LEU 510 HD12 LEU 510 4.962 -3.998 -4.110 284 HD13 LEU 510 HD13 LEU 510 3.684 -2.878 -3.648 285 HD21 LEU 510 HD21 LEU 510 4.006 -3.355 -0.010 286 HD22 LEU 510 HD22 LEU 510 2.758 -3.682 -1.213 287 HD23 LEU 510 HD23 LEU 510 3.567 -2.117 -1.187 288 H HIS 511 H HIS 511 5.426 -5.120 1.382 289 HA HIS 511 HA HIS 511 5.198 -2.449 2.104 290 HB2 HIS 511 HB3 HIS 511 4.708 -4.953 3.312 291 HB3 HIS 511 HB2 HIS 511 5.711 -4.045 4.443 292 HD1 HIS 511 HD1 HIS 511 4.004 -3.210 6.103 293 HD2 HIS 511 HD2 HIS 511 2.853 -2.494 2.161 294 HE1 HIS 511 HE1 HIS 511 1.914 -1.780 6.212 295 HE2 HIS 511 HE2 HIS 511 1.205 -1.338 3.814 296 H ARG 512 H ARG 512 7.808 -4.741 2.876 297 HA ARG 512 HA ARG 512 9.377 -3.065 4.468 298 HB2 ARG 512 HB3 ARG 512 10.124 -5.319 2.604 299 HB3 ARG 512 HB2 ARG 512 11.297 -4.509 3.644 300 HG2 ARG 512 HG3 ARG 512 9.894 -5.061 5.620 301 HG3 ARG 512 HG2 ARG 512 8.784 -5.934 4.563 302 HD2 ARG 512 HD3 ARG 512 10.097 -7.754 4.629 303 HD3 ARG 512 HD2 ARG 512 11.466 -6.817 4.037 304 HE ARG 512 HE ARG 512 12.296 -6.973 6.183 305 HH11 ARG 512 HH21 ARG 512 8.836 -6.935 6.240 306 HH12 ARG 512 HH22 ARG 512 8.725 -7.032 7.966 307 HH21 ARG 512 HH11 ARG 512 12.159 -7.103 8.447 308 HH22 ARG 512 HH12 ARG 512 10.606 -7.127 9.215 309 H ARG 513 H ARG 513 9.489 -3.567 0.941 310 HA ARG 513 HA ARG 513 11.576 -1.687 0.484 311 HB2 ARG 513 HB3 ARG 513 9.564 -3.090 -1.242 312 HB3 ARG 513 HB2 ARG 513 10.520 -1.770 -1.915 313 HG2 ARG 513 HG3 ARG 513 11.984 -3.843 -0.347 314 HG3 ARG 513 HG2 ARG 513 11.391 -4.308 -1.942 315 HD2 ARG 513 HD3 ARG 513 13.051 -1.834 -1.402 316 HD3 ARG 513 HD2 ARG 513 13.711 -3.359 -1.983 317 HE ARG 513 HE ARG 513 11.559 -2.436 -3.637 318 HH11 ARG 513 HH21 ARG 513 14.906 -2.032 -2.860 319 HH12 ARG 513 HH22 ARG 513 15.341 -1.439 -4.429 320 HH21 ARG 513 HH11 ARG 513 12.121 -1.659 -5.697 321 HH22 ARG 513 HH12 ARG 513 13.765 -1.229 -6.034 322 H LEU 514 H LEU 514 8.035 -1.473 0.344 323 HA LEU 514 HA LEU 514 7.849 1.141 -0.666 324 HB2 LEU 514 HB3 LEU 514 5.946 -0.440 -0.531 325 HB3 LEU 514 HB2 LEU 514 5.958 -0.281 1.226 326 HG LEU 514 HG LEU 514 5.966 2.339 0.072 327 HD11 LEU 514 HD11 LEU 514 3.730 2.231 -1.043 328 HD12 LEU 514 HD12 LEU 514 3.811 0.471 -0.957 329 HD13 LEU 514 HD13 LEU 514 4.984 1.364 -1.927 330 HD21 LEU 514 HD21 LEU 514 3.915 2.559 1.406 331 HD22 LEU 514 HD22 LEU 514 5.134 1.670 2.320 332 HD23 LEU 514 HD23 LEU 514 3.804 0.804 1.550 333 H MET 515 H MET 515 7.986 -0.075 2.670 334 HA MET 515 HA MET 515 7.620 2.316 4.038 335 HB2 MET 515 HB3 MET 515 8.988 -0.259 4.632 336 HB3 MET 515 HB2 MET 515 9.347 1.110 5.684 337 HG2 MET 515 HG3 MET 515 7.137 1.300 6.416 338 HG3 MET 515 HG2 MET 515 6.491 0.486 4.991 339 HE1 MET 515 HE1 MET 515 5.308 0.045 7.266 340 HE2 MET 515 HE2 MET 515 6.256 -0.463 8.662 341 HE3 MET 515 HE3 MET 515 5.303 -1.650 7.774 342 H THR 516 H THR 516 10.059 1.547 1.870 343 HA THR 516 HA THR 516 12.015 3.359 3.109 344 HB THR 516 HB THR 516 12.425 1.819 0.555 345 HG1 THR 516 HG1 THR 516 12.383 0.941 3.214 346 HG21 THR 516 HG21 THR 516 14.297 2.729 2.759 347 HG22 THR 516 HG22 THR 516 14.062 3.563 1.222 348 HG23 THR 516 HG23 THR 516 14.769 1.947 1.250 349 H LEU 517 H LEU 517 9.647 3.213 0.609 350 HA LEU 517 HA LEU 517 10.716 5.211 -1.116 351 HB2 LEU 517 HB3 LEU 517 8.967 3.587 -1.802 352 HB3 LEU 517 HB2 LEU 517 7.835 4.382 -0.710 353 HG LEU 517 HG LEU 517 9.064 6.399 -2.305 354 HD11 LEU 517 HD11 LEU 517 7.917 4.082 -3.888 355 HD12 LEU 517 HD12 LEU 517 9.593 4.634 -3.923 356 HD13 LEU 517 HD13 LEU 517 8.311 5.669 -4.550 357 HD21 LEU 517 HD21 LEU 517 6.742 6.821 -2.972 358 HD22 LEU 517 HD22 LEU 517 6.808 6.445 -1.251 359 HD23 LEU 517 HD23 LEU 517 6.268 5.221 -2.400 360 H ARG 518 H ARG 518 10.470 7.387 -1.110 361 HA ARG 518 HA ARG 518 8.971 8.590 1.142 362 HB2 ARG 518 HB3 ARG 518 11.602 9.441 -0.087 363 HB3 ARG 518 HB2 ARG 518 10.680 10.428 1.049 364 HG2 ARG 518 HG3 ARG 518 10.887 8.771 2.782 365 HG3 ARG 518 HG2 ARG 518 11.566 7.596 1.655 366 HD2 ARG 518 HD3 ARG 518 13.376 8.558 2.958 367 HD3 ARG 518 HD2 ARG 518 13.509 9.129 1.299 368 HE ARG 518 HE ARG 518 12.775 10.722 3.639 369 HH11 ARG 518 HH21 ARG 518 13.044 10.446 0.191 370 HH12 ARG 518 HH22 ARG 518 13.012 12.153 -0.081 371 HH21 ARG 518 HH11 ARG 518 12.743 12.961 3.275 372 HH22 ARG 518 HH12 ARG 518 12.847 13.574 1.659 373 H GLU 519 H GLU 519 9.873 8.735 -2.243 374 HA GLU 519 HA GLU 519 8.991 11.200 -3.053 375 HB2 GLU 519 HB3 GLU 519 9.691 8.866 -4.334 376 HB3 GLU 519 HB2 GLU 519 7.995 9.050 -4.783 377 HG2 GLU 519 HG3 GLU 519 8.485 11.419 -5.442 378 HG3 GLU 519 HG2 GLU 519 10.193 11.106 -5.137 379 H ARG 520 H ARG 520 7.168 12.271 -2.678 380 HA ARG 520 HA ARG 520 4.789 10.959 -1.742 381 HB2 ARG 520 HB3 ARG 520 5.785 13.687 -1.981 382 HB3 ARG 520 HB2 ARG 520 4.085 13.562 -2.433 383 HG2 ARG 520 HG3 ARG 520 3.512 12.558 -0.327 384 HG3 ARG 520 HG2 ARG 520 5.211 12.349 0.102 385 HD2 ARG 520 HD3 ARG 520 4.269 15.111 -0.520 386 HD3 ARG 520 HD2 ARG 520 3.786 14.410 1.022 387 HE ARG 520 HE ARG 520 6.417 15.311 0.309 388 HH11 ARG 520 HH21 ARG 520 4.605 13.000 2.141 389 HH12 ARG 520 HH22 ARG 520 5.842 12.768 3.331 390 HH21 ARG 520 HH11 ARG 520 8.043 15.011 1.865 391 HH22 ARG 520 HH12 ARG 520 7.789 13.907 3.175 392 H HIS 521 H HIS 521 5.754 12.585 -4.748 393 HA HIS 521 HA HIS 521 3.411 12.654 -6.158 394 HB2 HIS 521 HB3 HIS 521 5.702 13.363 -6.962 395 HB3 HIS 521 HB2 HIS 521 6.007 11.670 -7.353 396 HD1 HIS 521 HD1 HIS 521 2.503 12.586 -7.830 397 HD2 HIS 521 HD2 HIS 521 5.968 12.709 -10.143 398 HE1 HIS 521 HE1 HIS 521 1.752 12.871 -10.232 399 HE2 HIS 521 HE2 HIS 521 3.853 12.947 -11.654 400 H ILE 522 H ILE 522 5.662 9.880 -6.157 401 HA ILE 522 HA ILE 522 4.039 8.112 -7.593 402 HB ILE 522 HB ILE 522 6.187 7.664 -5.525 403 HG12 ILE 522 HG13 ILE 522 6.144 7.056 -8.491 404 HG13 ILE 522 HG12 ILE 522 6.683 8.606 -7.846 405 HG21 ILE 522 HG21 ILE 522 4.358 5.723 -6.869 406 HG22 ILE 522 HG22 ILE 522 5.106 5.644 -5.273 407 HG23 ILE 522 HG23 ILE 522 6.056 5.277 -6.712 408 HD11 ILE 522 HD11 ILE 522 7.856 5.887 -7.188 409 HD12 ILE 522 HD12 ILE 522 8.356 7.404 -6.442 410 HD13 ILE 522 HD13 ILE 522 8.617 7.143 -8.166 411 H LEU 523 H LEU 523 4.043 8.966 -4.176 412 HA LEU 523 HA LEU 523 2.434 6.862 -3.216 413 HB2 LEU 523 HB3 LEU 523 3.763 8.761 -1.972 414 HB3 LEU 523 HB2 LEU 523 2.225 9.620 -2.073 415 HG LEU 523 HG LEU 523 1.251 7.319 -1.201 416 HD11 LEU 523 HD11 LEU 523 2.709 5.942 -0.036 417 HD12 LEU 523 HD12 LEU 523 3.867 7.242 0.253 418 HD13 LEU 523 HD13 LEU 523 3.772 6.482 -1.335 419 HD21 LEU 523 HD21 LEU 523 0.890 9.216 0.123 420 HD22 LEU 523 HD22 LEU 523 2.615 9.535 0.303 421 HD23 LEU 523 HD23 LEU 523 1.867 8.205 1.187 422 H GLN 524 H GLN 524 1.602 10.046 -4.554 423 HA GLN 524 HA GLN 524 -1.160 9.978 -4.077 424 HB2 GLN 524 HB3 GLN 524 0.668 11.455 -5.869 425 HB3 GLN 524 HB2 GLN 524 -1.007 11.362 -6.409 426 HG2 GLN 524 HG3 GLN 524 -0.366 12.108 -3.562 427 HG3 GLN 524 HG2 GLN 524 -0.314 13.322 -4.838 428 HE21 GLN 524 HE21 GLN 524 -2.240 14.486 -4.683 429 HE22 GLN 524 HE22 GLN 524 -3.780 13.786 -4.541 430 H GLN 525 H GLN 525 0.695 8.911 -6.924 431 HA GLN 525 HA GLN 525 -1.455 8.042 -8.489 432 HB2 GLN 525 HB3 GLN 525 1.366 6.963 -8.329 433 HB3 GLN 525 HB2 GLN 525 0.214 6.581 -9.610 434 HG2 GLN 525 HG3 GLN 525 0.470 9.460 -9.113 435 HG3 GLN 525 HG2 GLN 525 1.978 8.709 -9.632 436 HE21 GLN 525 HE21 GLN 525 -0.565 10.303 -10.926 437 HE22 GLN 525 HE22 GLN 525 -0.680 9.524 -12.429 438 H ILE 526 H ILE 526 0.432 6.316 -6.029 439 HA ILE 526 HA ILE 526 -0.683 3.771 -6.355 440 HB ILE 526 HB ILE 526 0.448 5.202 -3.952 441 HG12 ILE 526 HG13 ILE 526 1.489 2.789 -5.443 442 HG13 ILE 526 HG12 ILE 526 1.839 4.429 -5.981 443 HG21 ILE 526 HG21 ILE 526 0.528 2.693 -3.109 444 HG22 ILE 526 HG22 ILE 526 -0.872 2.516 -4.163 445 HG23 ILE 526 HG23 ILE 526 -0.911 3.675 -2.837 446 HD11 ILE 526 HD11 ILE 526 2.271 3.851 -3.099 447 HD12 ILE 526 HD12 ILE 526 3.197 4.874 -4.194 448 HD13 ILE 526 HD13 ILE 526 3.410 3.123 -4.235 449 H VAL 527 H VAL 527 -1.683 6.403 -4.169 450 HA VAL 527 HA VAL 527 -3.798 5.278 -2.864 451 HB VAL 527 HB VAL 527 -3.761 8.041 -4.100 452 HG11 VAL 527 HG11 VAL 527 -5.403 6.788 -1.887 453 HG12 VAL 527 HG12 VAL 527 -5.995 7.523 -3.378 454 HG13 VAL 527 HG13 VAL 527 -5.272 8.530 -2.124 455 HG21 VAL 527 HG21 VAL 527 -3.241 7.900 -1.265 456 HG22 VAL 527 HG22 VAL 527 -2.228 8.575 -2.541 457 HG23 VAL 527 HG23 VAL 527 -2.104 6.865 -2.130 458 H ASN 528 H ASN 528 -3.849 6.619 -6.150 459 HA ASN 528 HA ASN 528 -6.585 6.202 -6.668 460 HB2 ASN 528 HB3 ASN 528 -4.281 6.149 -8.636 461 HB3 ASN 528 HB2 ASN 528 -5.980 6.408 -9.029 462 HD21 ASN 528 HD21 ASN 528 -5.132 8.555 -9.925 463 HD22 ASN 528 HD22 ASN 528 -4.932 9.844 -8.838 464 H LEU 529 H LEU 529 -3.750 4.155 -7.322 465 HA LEU 529 HA LEU 529 -5.032 2.070 -8.630 466 HB2 LEU 529 HB3 LEU 529 -2.487 2.519 -7.401 467 HB3 LEU 529 HB2 LEU 529 -3.072 0.936 -6.897 468 HG LEU 529 HG LEU 529 -1.770 0.788 -8.989 469 HD11 LEU 529 HD11 LEU 529 -4.267 -0.319 -8.471 470 HD12 LEU 529 HD12 LEU 529 -3.132 -0.863 -9.705 471 HD13 LEU 529 HD13 LEU 529 -4.413 0.274 -10.124 472 HD21 LEU 529 HD21 LEU 529 -3.005 3.198 -9.597 473 HD22 LEU 529 HD22 LEU 529 -3.811 2.056 -10.671 474 HD23 LEU 529 HD23 LEU 529 -2.056 2.225 -10.721 475 H ILE 530 H ILE 530 -4.767 2.721 -5.179 476 HA ILE 530 HA ILE 530 -5.957 0.269 -4.336 477 HB ILE 530 HB ILE 530 -5.854 2.907 -2.856 478 HG12 ILE 530 HG13 ILE 530 -3.603 2.321 -3.572 479 HG13 ILE 530 HG12 ILE 530 -3.755 1.962 -1.856 480 HG21 ILE 530 HG21 ILE 530 -6.129 0.030 -1.942 481 HG22 ILE 530 HG22 ILE 530 -7.348 1.298 -1.822 482 HG23 ILE 530 HG23 ILE 530 -5.872 1.400 -0.864 483 HD11 ILE 530 HD11 ILE 530 -2.732 0.019 -2.655 484 HD12 ILE 530 HD12 ILE 530 -3.613 0.065 -4.184 485 HD13 ILE 530 HD13 ILE 530 -4.432 -0.434 -2.707 486 H GLU 531 H GLU 531 -7.192 3.577 -4.751 487 HA GLU 531 HA GLU 531 -9.833 3.070 -3.957 488 HB2 GLU 531 HB3 GLU 531 -8.490 5.141 -5.633 489 HB3 GLU 531 HB2 GLU 531 -10.252 5.040 -5.678 490 HG2 GLU 531 HG3 GLU 531 -9.219 6.590 -3.899 491 HG3 GLU 531 HG2 GLU 531 -10.449 5.451 -3.352 492 H GLU 532 H GLU 532 -8.126 2.245 -6.840 493 HA GLU 532 HA GLU 532 -10.340 1.949 -8.594 494 HB2 GLU 532 HB3 GLU 532 -7.829 2.008 -9.165 495 HB3 GLU 532 HB2 GLU 532 -7.825 0.297 -8.737 496 HG2 GLU 532 HG3 GLU 532 -8.388 0.015 -10.929 497 HG3 GLU 532 HG2 GLU 532 -10.011 0.384 -10.346 498 H THR 533 H THR 533 -8.530 -0.428 -6.643 499 HA THR 533 HA THR 533 -10.323 -2.577 -7.261 500 HB THR 533 HB THR 533 -8.067 -3.169 -6.681 501 HG1 THR 533 HG1 THR 533 -9.749 -4.504 -5.829 502 HG21 THR 533 HG21 THR 533 -7.442 -1.193 -5.420 503 HG22 THR 533 HG22 THR 533 -7.169 -2.610 -4.408 504 HG23 THR 533 HG23 THR 533 -8.589 -1.597 -4.144 505 H GLY 534 H GLY 534 -10.899 0.122 -5.576 506 HA2 GLY 534 HA3 GLY 534 -12.252 0.717 -3.793 507 HA3 GLY 534 HA2 GLY 534 -13.307 -0.507 -4.490 508 H HIS 535 H HIS 535 -10.163 -1.296 -3.177 509 HA HIS 535 HA HIS 535 -11.493 -2.685 -0.922 510 HB2 HIS 535 HB3 HIS 535 -9.401 -3.524 -2.838 511 HB3 HIS 535 HB2 HIS 535 -9.141 -3.994 -1.157 512 HD1 HIS 535 HD1 HIS 535 -9.814 -6.432 -1.245 513 HD2 HIS 535 HD2 HIS 535 -12.699 -3.928 -2.919 514 HE1 HIS 535 HE1 HIS 535 -11.842 -7.880 -1.701 515 HE2 HIS 535 HE2 HIS 535 -13.610 -6.369 -2.723 516 H PHE 536 H PHE 536 -11.242 -1.214 0.705 517 HA PHE 536 HA PHE 536 -8.730 -1.040 2.005 518 HB2 PHE 536 HB3 PHE 536 -8.331 1.382 1.778 519 HB3 PHE 536 HB2 PHE 536 -8.199 0.560 0.224 520 HD1 PHE 536 HD1 PHE 536 -10.396 2.675 2.345 521 HD2 PHE 536 HD2 PHE 536 -9.746 1.012 -1.564 522 HE1 PHE 536 HE1 PHE 536 -12.169 4.146 1.424 523 HE2 PHE 536 HE2 PHE 536 -11.518 2.485 -2.479 524 HZ PHE 536 HZ PHE 536 -12.730 4.047 -0.988 525 H HIS 537 H HIS 537 -8.903 0.967 3.672 526 HA HIS 537 HA HIS 537 -11.672 1.127 4.660 527 HB2 HIS 537 HB3 HIS 537 -9.482 -0.345 5.864 528 HB3 HIS 537 HB2 HIS 537 -10.070 0.918 6.947 529 HD1 HIS 537 HD1 HIS 537 -12.177 -1.024 4.460 530 HD2 HIS 537 HD2 HIS 537 -11.730 -0.638 8.587 531 HE1 HIS 537 HE1 HIS 537 -14.078 -2.325 5.511 532 HE2 HIS 537 HE2 HIS 537 -13.819 -2.100 8.026 533 H ILE 538 H ILE 538 -11.948 3.284 4.338 534 HA ILE 538 HA ILE 538 -9.849 5.156 5.077 535 HB ILE 538 HB ILE 538 -11.170 5.501 3.021 536 HG12 ILE 538 HG13 ILE 538 -12.159 7.807 4.461 537 HG13 ILE 538 HG12 ILE 538 -10.537 7.388 5.011 538 HG21 ILE 538 HG21 ILE 538 -13.293 4.623 4.400 539 HG22 ILE 538 HG22 ILE 538 -13.461 5.688 3.004 540 HG23 ILE 538 HG23 ILE 538 -13.524 6.356 4.635 541 HD11 ILE 538 HD11 ILE 538 -11.389 7.825 2.137 542 HD12 ILE 538 HD12 ILE 538 -9.776 7.328 2.648 543 HD13 ILE 538 HD13 ILE 538 -10.396 8.915 3.103 544 H THR 539 H THR 539 -9.701 6.082 7.009 545 HA THR 539 HA THR 539 -11.780 5.665 8.987 546 HB THR 539 HB THR 539 -9.573 7.442 9.728 547 HG1 THR 539 HG1 THR 539 -8.818 4.800 9.271 548 HG21 THR 539 HG21 THR 539 -10.353 4.701 10.747 549 HG22 THR 539 HG22 THR 539 -11.168 6.184 11.242 550 HG23 THR 539 HG23 THR 539 -9.460 5.951 11.613 551 H ASN 540 H ASN 540 -12.726 7.388 10.227 552 HA ASN 540 HA ASN 540 -13.836 9.445 8.662 553 HB2 ASN 540 HB3 ASN 540 -14.724 8.449 10.845 554 HB3 ASN 540 HB2 ASN 540 -13.606 9.535 11.665 555 HD21 ASN 540 HD21 ASN 540 -15.043 11.106 12.504 556 HD22 ASN 540 HD22 ASN 540 -16.101 12.019 11.541 557 H THR 541 H THR 541 -10.877 9.273 10.468 558 HA THR 541 HA THR 541 -10.287 12.059 9.699 559 HB THR 541 HB THR 541 -8.990 12.185 11.908 560 HG1 THR 541 HG1 THR 541 -10.330 9.778 12.110 561 HG21 THR 541 HG21 THR 541 -11.030 13.462 11.524 562 HG22 THR 541 HG22 THR 541 -11.053 12.806 13.160 563 HG23 THR 541 HG23 THR 541 -12.017 12.047 11.894 564 H THR 542 H THR 542 -9.591 9.302 8.679 565 HA THR 542 HA THR 542 -6.841 9.838 8.108 566 HB THR 542 HB THR 542 -7.042 7.217 9.470 567 HG1 THR 542 HG1 THR 542 -7.270 8.000 11.419 568 HG21 THR 542 HG21 THR 542 -5.008 9.458 9.553 569 HG22 THR 542 HG22 THR 542 -4.982 8.120 8.404 570 HG23 THR 542 HG23 THR 542 -4.771 7.808 10.127 571 H PHE 543 H PHE 543 -5.860 7.991 6.828 572 HA PHE 543 HA PHE 543 -7.938 6.419 5.450 573 HB2 PHE 543 HB3 PHE 543 -7.607 8.188 3.932 574 HB3 PHE 543 HB2 PHE 543 -5.869 8.229 4.228 575 HD1 PHE 543 HD1 PHE 543 -8.349 5.537 3.335 576 HD2 PHE 543 HD2 PHE 543 -4.632 7.489 2.399 577 HE1 PHE 543 HE1 PHE 543 -7.978 3.947 1.470 578 HE2 PHE 543 HE2 PHE 543 -4.271 5.901 0.532 579 HZ PHE 543 HZ PHE 543 -5.941 4.127 0.069 580 H ASP 544 H ASP 544 -7.456 4.343 5.735 581 HA ASP 544 HA ASP 544 -4.645 3.489 5.424 582 HB2 ASP 544 HB3 ASP 544 -5.084 1.784 7.215 583 HB3 ASP 544 HB2 ASP 544 -5.046 3.450 7.792 584 H PHE 545 H PHE 545 -4.370 1.324 4.694 585 HA PHE 545 HA PHE 545 -6.767 -0.034 3.681 586 HB2 PHE 545 HB3 PHE 545 -5.930 -0.205 1.440 587 HB3 PHE 545 HB2 PHE 545 -5.856 1.499 1.881 588 HD1 PHE 545 HD2 PHE 545 -3.565 2.187 3.122 589 HD2 PHE 545 HD1 PHE 545 -4.044 -1.133 0.439 590 HE1 PHE 545 HE2 PHE 545 -1.128 2.185 2.687 591 HE2 PHE 545 HE1 PHE 545 -1.608 -1.125 -0.003 592 HZ PHE 545 HZ PHE 545 -0.147 0.533 1.125 593 H ASP 546 H ASP 546 -6.586 -2.227 3.619 594 HA ASP 546 HA ASP 546 -4.308 -3.383 4.997 595 HB2 ASP 546 HB3 ASP 546 -6.085 -5.381 4.024 596 HB3 ASP 546 HB2 ASP 546 -5.860 -4.835 5.683 597 H LEU 547 H LEU 547 -2.725 -4.603 4.122 598 HA LEU 547 HA LEU 547 -2.371 -4.584 1.263 599 HB2 LEU 547 HB3 LEU 547 -0.797 -5.439 3.636 600 HB3 LEU 547 HB2 LEU 547 -0.371 -6.152 2.085 601 HG LEU 547 HG LEU 547 0.877 -4.035 2.688 602 HD11 LEU 547 HD11 LEU 547 -0.318 -4.778 0.199 603 HD12 LEU 547 HD12 LEU 547 1.209 -3.949 0.495 604 HD13 LEU 547 HD13 LEU 547 -0.278 -3.019 0.309 605 HD21 LEU 547 HD21 LEU 547 -1.300 -3.045 3.656 606 HD22 LEU 547 HD22 LEU 547 -1.659 -2.584 1.994 607 HD23 LEU 547 HD23 LEU 547 -0.209 -1.974 2.780 608 H CYS 548 H CYS 548 -3.149 -7.011 3.707 609 HA CYS 548 HA CYS 548 -3.087 -9.204 1.863 610 HB2 CYS 548 HB3 CYS 548 -3.166 -8.954 4.614 611 HB3 CYS 548 HB2 CYS 548 -4.778 -9.555 4.222 612 HG CYS 548 HG CYS 548 -2.133 -11.085 3.765 613 H SER 549 H SER 549 -5.005 -6.632 1.777 614 HA SER 549 HA SER 549 -7.485 -8.131 1.196 615 HB2 SER 549 HB3 SER 549 -7.878 -6.396 2.805 616 HB3 SER 549 HB2 SER 549 -6.994 -5.218 1.840 617 HG SER 549 HG SER 549 -9.535 -5.652 1.761 618 H LEU 550 H LEU 550 -4.949 -6.232 -0.179 619 HA LEU 550 HA LEU 550 -6.322 -5.475 -2.580 620 HB2 LEU 550 HB3 LEU 550 -3.338 -5.740 -2.196 621 HB3 LEU 550 HB2 LEU 550 -4.191 -4.723 -3.359 622 HG LEU 550 HG LEU 550 -4.291 -4.432 -0.347 623 HD11 LEU 550 HD11 LEU 550 -3.356 -2.095 -1.572 624 HD12 LEU 550 HD12 LEU 550 -2.510 -3.405 -2.388 625 HD13 LEU 550 HD13 LEU 550 -2.408 -3.239 -0.636 626 HD21 LEU 550 HD21 LEU 550 -5.744 -3.094 -2.616 627 HD22 LEU 550 HD22 LEU 550 -5.416 -2.201 -1.132 628 HD23 LEU 550 HD23 LEU 550 -6.385 -3.672 -1.079 629 H ASP 551 H ASP 551 -6.798 -6.716 -4.258 630 HA ASP 551 HA ASP 551 -6.110 -9.460 -4.388 631 HB2 ASP 551 HB3 ASP 551 -6.822 -8.703 -6.977 632 HB3 ASP 551 HB2 ASP 551 -7.914 -9.307 -5.733 633 H LYS 552 H LYS 552 -4.740 -10.544 -5.878 634 HA LYS 552 HA LYS 552 -2.162 -9.702 -6.163 635 HB2 LYS 552 HB3 LYS 552 -1.835 -11.431 -7.724 636 HB3 LYS 552 HB2 LYS 552 -3.205 -11.981 -6.773 637 HG2 LYS 552 HG3 LYS 552 -3.416 -10.626 -9.502 638 HG3 LYS 552 HG2 LYS 552 -3.547 -12.346 -9.213 639 HD2 LYS 552 HD3 LYS 552 -5.378 -10.270 -7.979 640 HD3 LYS 552 HD2 LYS 552 -5.771 -11.236 -9.388 641 HE2 LYS 552 HE3 LYS 552 -5.078 -13.241 -7.759 642 HE3 LYS 552 HE2 LYS 552 -5.550 -12.070 -6.528 643 HZ1 LYS 552 HZ1 LYS 552 -7.287 -13.659 -7.653 644 HZ2 LYS 552 HZ2 LYS 552 -7.311 -12.438 -8.834 645 HZ3 LYS 552 HZ3 LYS 552 -7.700 -12.072 -7.221 646 H THR 553 H THR 553 -4.890 -8.464 -7.827 647 HA THR 553 HA THR 553 -3.634 -7.570 -10.214 648 HB THR 553 HB THR 553 -5.974 -6.223 -8.873 649 HG1 THR 553 HG1 THR 553 -6.266 -8.353 -10.662 650 HG21 THR 553 HG21 THR 553 -5.208 -6.694 -11.767 651 HG22 THR 553 HG22 THR 553 -5.066 -5.166 -10.898 652 HG23 THR 553 HG23 THR 553 -6.658 -5.855 -11.214 653 H THR 554 H THR 554 -4.579 -5.744 -7.291 654 HA THR 554 HA THR 554 -3.213 -3.381 -8.013 655 HB THR 554 HB THR 554 -3.275 -3.596 -5.183 656 HG1 THR 554 HG1 THR 554 -5.726 -4.041 -5.339 657 HG21 THR 554 HG21 THR 554 -5.209 -2.308 -7.126 658 HG22 THR 554 HG22 THR 554 -3.707 -1.583 -6.551 659 HG23 THR 554 HG23 THR 554 -5.025 -1.894 -5.422 660 H VAL 555 H VAL 555 -2.256 -6.151 -5.994 661 HA VAL 555 HA VAL 555 0.166 -5.251 -5.018 662 HB VAL 555 HB VAL 555 -0.483 -8.032 -6.021 663 HG11 VAL 555 HG11 VAL 555 1.230 -8.301 -3.903 664 HG12 VAL 555 HG12 VAL 555 1.856 -6.841 -4.672 665 HG13 VAL 555 HG13 VAL 555 1.728 -8.339 -5.595 666 HG21 VAL 555 HG21 VAL 555 -2.085 -7.691 -4.381 667 HG22 VAL 555 HG22 VAL 555 -1.101 -6.509 -3.517 668 HG23 VAL 555 HG23 VAL 555 -0.736 -8.230 -3.377 669 H ARG 556 H ARG 556 -0.455 -6.831 -8.149 670 HA ARG 556 HA ARG 556 2.202 -6.811 -9.070 671 HB2 ARG 556 HB3 ARG 556 -0.463 -6.840 -10.482 672 HB3 ARG 556 HB2 ARG 556 1.059 -6.853 -11.372 673 HG2 ARG 556 HG3 ARG 556 0.869 -8.788 -9.135 674 HG3 ARG 556 HG2 ARG 556 -0.185 -9.110 -10.512 675 HD2 ARG 556 HD3 ARG 556 2.798 -8.613 -10.701 676 HD3 ARG 556 HD2 ARG 556 2.041 -10.202 -10.747 677 HE ARG 556 HE ARG 556 2.180 -8.321 -12.909 678 HH11 ARG 556 HH21 ARG 556 0.270 -10.792 -11.418 679 HH12 ARG 556 HH22 ARG 556 -0.537 -11.246 -12.882 680 HH21 ARG 556 HH11 ARG 556 1.126 -8.912 -14.834 681 HH22 ARG 556 HH12 ARG 556 -0.050 -10.182 -14.816 682 H LYS 557 H LYS 557 -0.414 -4.433 -9.423 683 HA LYS 557 HA LYS 557 0.978 -2.634 -11.093 684 HB2 LYS 557 HB3 LYS 557 -1.212 -2.101 -9.075 685 HB3 LYS 557 HB2 LYS 557 -0.704 -0.986 -10.340 686 HG2 LYS 557 HG3 LYS 557 -1.260 -3.662 -11.385 687 HG3 LYS 557 HG2 LYS 557 -2.663 -2.962 -10.586 688 HD2 LYS 557 HD3 LYS 557 -2.728 -2.319 -12.918 689 HD3 LYS 557 HD2 LYS 557 -2.326 -0.883 -11.980 690 HE2 LYS 557 HE3 LYS 557 0.006 -1.073 -12.550 691 HE3 LYS 557 HE2 LYS 557 -0.238 -2.672 -13.250 692 HZ1 LYS 557 HZ1 LYS 557 -0.348 -1.469 -15.134 693 HZ2 LYS 557 HZ2 LYS 557 -0.847 -0.048 -14.347 694 HZ3 LYS 557 HZ3 LYS 557 -1.969 -1.281 -14.674 695 H LEU 558 H LEU 558 0.689 -2.878 -7.580 696 HA LEU 558 HA LEU 558 2.158 -0.510 -7.000 697 HB2 LEU 558 HB3 LEU 558 1.718 -2.964 -5.281 698 HB3 LEU 558 HB2 LEU 558 2.264 -1.386 -4.712 699 HG LEU 558 HG LEU 558 -0.288 -1.546 -6.283 700 HD11 LEU 558 HD11 LEU 558 -1.325 -1.720 -3.854 701 HD12 LEU 558 HD12 LEU 558 0.181 -2.567 -3.503 702 HD13 LEU 558 HD13 LEU 558 -0.905 -3.178 -4.750 703 HD21 LEU 558 HD21 LEU 558 0.095 0.086 -3.818 704 HD22 LEU 558 HD22 LEU 558 -0.694 0.510 -5.339 705 HD23 LEU 558 HD23 LEU 558 1.063 0.527 -5.221 706 H GLN 559 H GLN 559 3.052 -3.912 -7.349 707 HA GLN 559 HA GLN 559 5.703 -3.740 -6.439 708 HB2 GLN 559 HB3 GLN 559 4.063 -5.645 -7.903 709 HB3 GLN 559 HB2 GLN 559 5.730 -5.631 -8.483 710 HG2 GLN 559 HG3 GLN 559 6.539 -5.908 -6.170 711 HG3 GLN 559 HG2 GLN 559 4.875 -5.925 -5.589 712 HE21 GLN 559 HE21 GLN 559 4.632 -7.441 -8.493 713 HE22 GLN 559 HE22 GLN 559 4.892 -9.049 -8.013 714 H SER 560 H SER 560 4.260 -3.070 -9.594 715 HA SER 560 HA SER 560 6.744 -2.724 -10.965 716 HB2 SER 560 HB3 SER 560 5.435 -1.950 -12.795 717 HB3 SER 560 HB2 SER 560 4.481 -3.209 -12.017 718 HG SER 560 HG SER 560 3.021 -1.691 -11.944 719 H TYR 561 H TYR 561 4.502 -0.561 -9.300 720 HA TYR 561 HA TYR 561 5.539 1.905 -10.075 721 HB2 TYR 561 HB3 TYR 561 3.958 0.883 -7.806 722 HB3 TYR 561 HB2 TYR 561 4.857 2.364 -7.472 723 HD1 TYR 561 HD2 TYR 561 4.786 4.124 -9.518 724 HD2 TYR 561 HD1 TYR 561 1.814 1.133 -8.694 725 HE1 TYR 561 HE2 TYR 561 3.111 5.434 -10.797 726 HE2 TYR 561 HE1 TYR 561 0.144 2.443 -9.972 727 HH TYR 561 HH TYR 561 0.433 4.300 -12.014 728 H LEU 562 H LEU 562 6.526 -0.204 -7.388 729 HA LEU 562 HA LEU 562 8.572 1.530 -6.432 730 HB2 LEU 562 HB3 LEU 562 8.130 -1.443 -6.084 731 HB3 LEU 562 HB2 LEU 562 9.373 -0.525 -5.233 732 HG LEU 562 HG LEU 562 6.650 0.631 -5.122 733 HD11 LEU 562 HD11 LEU 562 5.962 -0.957 -3.323 734 HD12 LEU 562 HD12 LEU 562 7.363 -1.957 -3.707 735 HD13 LEU 562 HD13 LEU 562 6.084 -1.736 -4.901 736 HD21 LEU 562 HD21 LEU 562 8.541 -0.026 -2.861 737 HD22 LEU 562 HD22 LEU 562 7.354 1.274 -2.955 738 HD23 LEU 562 HD23 LEU 562 8.828 1.354 -3.918 739 H GLU 563 H GLU 563 8.597 -1.317 -8.567 740 HA GLU 563 HA GLU 563 11.290 -1.682 -8.959 741 HB2 GLU 563 HB3 GLU 563 8.932 -1.946 -10.798 742 HB3 GLU 563 HB2 GLU 563 10.563 -2.239 -11.401 743 HG2 GLU 563 HG3 GLU 563 9.647 -3.544 -8.851 744 HG3 GLU 563 HG2 GLU 563 9.206 -4.242 -10.409 745 H THR 564 H THR 564 9.371 0.116 -11.359 746 HA THR 564 HA THR 564 11.743 1.659 -12.075 747 HB THR 564 HB THR 564 10.548 0.883 -13.962 748 HG1 THR 564 HG1 THR 564 11.061 3.194 -13.880 749 HG21 THR 564 HG21 THR 564 8.466 0.166 -13.238 750 HG22 THR 564 HG22 THR 564 8.017 1.648 -14.083 751 HG23 THR 564 HG23 THR 564 8.162 1.644 -12.323 752 H SER 565 H SER 565 11.991 3.831 -11.786 753 HA SER 565 HA SER 565 9.788 5.401 -10.671 754 HB2 SER 565 HB3 SER 565 12.447 5.097 -9.258 755 HB3 SER 565 HB2 SER 565 11.162 6.208 -8.795 756 HG SER 565 HG SER 565 11.337 3.965 -7.797 757 H GLY 566 H GLY 566 12.486 5.073 -12.619 758 HA2 GLY 566 HA3 GLY 566 13.491 6.527 -14.101 759 HA3 GLY 566 HA2 GLY 566 12.281 7.724 -13.650 760 H THR 567 H THR 567 15.329 7.739 -13.999 761 HA THR 567 HA THR 567 16.101 8.723 -11.331 762 HB THR 567 HB THR 567 17.564 7.036 -12.439 763 HG1 THR 567 HG1 THR 567 18.390 9.623 -11.789 764 HG21 THR 567 HG21 THR 567 18.743 7.544 -14.440 765 HG22 THR 567 HG22 THR 567 18.249 9.236 -14.392 766 HG23 THR 567 HG23 THR 567 17.066 7.980 -14.766 767 H SER 568 H SER 568 16.912 10.794 -11.031 768 HA SER 568 HA SER 568 17.061 12.633 -13.284 769 HB2 SER 568 HB3 SER 568 15.515 14.243 -11.996 770 HB3 SER 568 HB2 SER 568 14.760 12.928 -12.894 771 HG SER 568 HG SER 568 15.490 12.193 -10.378 Start of MODEL 8 1 H1 THR 326 H1 THR 326 1.933 -20.075 20.697 2 H2 THR 326 H2 THR 326 0.586 -20.851 20.009 3 H3 THR 326 H3 THR 326 0.713 -19.158 19.957 4 HA THR 326 HA THR 326 1.948 -19.183 18.126 5 HB THR 326 HB THR 326 3.842 -20.943 17.950 6 HG1 THR 326 HG1 THR 326 2.929 -21.270 20.611 7 HG21 THR 326 HG21 THR 326 4.738 -18.915 18.493 8 HG22 THR 326 HG22 THR 326 4.946 -19.670 20.073 9 HG23 THR 326 HG23 THR 326 3.559 -18.623 19.772 10 H GLN 327 H GLN 327 1.836 -20.184 16.082 11 HA GLN 327 HA GLN 327 0.996 -21.590 14.467 12 HB2 GLN 327 HB3 GLN 327 2.287 -23.269 16.002 13 HB3 GLN 327 HB2 GLN 327 0.672 -23.769 16.503 14 HG2 GLN 327 HG3 GLN 327 0.074 -24.095 14.097 15 HG3 GLN 327 HG2 GLN 327 1.743 -23.719 13.668 16 HE21 GLN 327 HE21 GLN 327 -0.081 -26.335 13.758 17 HE22 GLN 327 HE22 GLN 327 0.984 -27.477 14.421 18 H GLY 328 H GLY 328 -0.807 -19.869 15.427 19 HA2 GLY 328 HA3 GLY 328 -3.279 -21.470 15.462 20 HA3 GLY 328 HA2 GLY 328 -3.051 -20.229 16.691 21 H GLY 329 H GLY 329 -3.000 -18.023 16.062 22 HA2 GLY 329 HA3 GLY 329 -4.777 -17.388 13.907 23 HA3 GLY 329 HA2 GLY 329 -3.939 -16.233 14.941 24 H ARG 330 H ARG 330 -3.878 -15.184 12.696 25 HA ARG 330 HA ARG 330 -1.378 -15.998 11.345 26 HB2 ARG 330 HB3 ARG 330 -2.897 -14.514 9.510 27 HB3 ARG 330 HB2 ARG 330 -2.567 -16.246 9.460 28 HG2 ARG 330 HG3 ARG 330 -4.558 -16.704 10.794 29 HG3 ARG 330 HG2 ARG 330 -4.862 -14.976 10.982 30 HD2 ARG 330 HD3 ARG 330 -5.500 -14.709 8.754 31 HD3 ARG 330 HD2 ARG 330 -4.617 -16.138 8.225 32 HE ARG 330 HE ARG 330 -6.510 -17.207 9.828 33 HH11 ARG 330 HH21 ARG 330 -6.602 -14.855 7.291 34 HH12 ARG 330 HH22 ARG 330 -8.207 -15.264 6.784 35 HH21 ARG 330 HH11 ARG 330 -8.615 -17.748 9.170 36 HH22 ARG 330 HH12 ARG 330 -9.346 -16.901 7.847 37 HA PRO 331 HA PRO 331 0.108 -11.906 11.988 38 HB2 PRO 331 HB3 PRO 331 1.395 -11.377 9.619 39 HB3 PRO 331 HB2 PRO 331 2.040 -12.458 10.868 40 HG2 PRO 331 HG3 PRO 331 0.622 -13.121 8.338 41 HG3 PRO 331 HG2 PRO 331 1.997 -13.930 9.110 42 HD2 PRO 331 HD3 PRO 331 -0.552 -14.894 9.270 43 HD3 PRO 331 HD2 PRO 331 0.654 -15.140 10.555 44 H SER 332 H SER 332 0.173 -9.645 10.945 45 HA SER 332 HA SER 332 -2.222 -9.197 9.265 46 HB2 SER 332 HB3 SER 332 -2.829 -7.293 10.588 47 HB3 SER 332 HB2 SER 332 -2.586 -8.638 11.700 48 HG SER 332 HG SER 332 -0.922 -6.423 11.163 49 H LEU 333 H LEU 333 -2.183 -7.220 8.031 50 HA LEU 333 HA LEU 333 0.368 -5.829 7.782 51 HB2 LEU 333 HB3 LEU 333 0.208 -8.002 6.272 52 HB3 LEU 333 HB2 LEU 333 -0.780 -6.953 5.266 53 HG LEU 333 HG LEU 333 1.139 -5.230 5.499 54 HD11 LEU 333 HD11 LEU 333 3.124 -7.346 5.733 55 HD12 LEU 333 HD12 LEU 333 2.163 -7.194 7.204 56 HD13 LEU 333 HD13 LEU 333 3.032 -5.797 6.573 57 HD21 LEU 333 HD21 LEU 333 0.762 -7.418 3.682 58 HD22 LEU 333 HD22 LEU 333 2.487 -7.210 3.942 59 HD23 LEU 333 HD23 LEU 333 1.514 -5.860 3.376 60 H ILE 334 H ILE 334 -0.546 -3.879 8.198 61 HA ILE 334 HA ILE 334 -2.519 -2.898 6.238 62 HB ILE 334 HB ILE 334 -2.578 -2.377 9.218 63 HG12 ILE 334 HG13 ILE 334 -5.008 -3.443 8.414 64 HG13 ILE 334 HG12 ILE 334 -3.841 -4.371 7.475 65 HG21 ILE 334 HG21 ILE 334 -4.918 -1.432 8.291 66 HG22 ILE 334 HG22 ILE 334 -3.932 -1.151 6.856 67 HG23 ILE 334 HG23 ILE 334 -3.477 -0.422 8.396 68 HD11 ILE 334 HD11 ILE 334 -4.116 -5.532 9.556 69 HD12 ILE 334 HD12 ILE 334 -3.936 -4.042 10.481 70 HD13 ILE 334 HD13 ILE 334 -2.549 -4.725 9.633 71 H ALA 335 H ALA 335 -2.243 -0.813 5.553 72 HA ALA 335 HA ALA 335 0.121 0.623 6.616 73 HB1 ALA 335 HB1 ALA 335 -0.592 1.510 3.987 74 HB2 ALA 335 HB2 ALA 335 -0.447 -0.242 3.981 75 HB3 ALA 335 HB3 ALA 335 0.906 0.745 4.521 76 H ARG 336 H ARG 336 -0.264 2.547 7.482 77 HA ARG 336 HA ARG 336 -2.875 3.829 6.964 78 HB2 ARG 336 HB3 ARG 336 -2.715 4.825 9.139 79 HB3 ARG 336 HB2 ARG 336 -2.318 3.117 9.332 80 HG2 ARG 336 HG3 ARG 336 0.146 3.897 8.962 81 HG3 ARG 336 HG2 ARG 336 -0.475 5.496 9.376 82 HD2 ARG 336 HD3 ARG 336 -1.368 4.612 11.491 83 HD3 ARG 336 HD2 ARG 336 -0.765 3.007 11.083 84 HE ARG 336 HE ARG 336 0.786 5.218 12.096 85 HH11 ARG 336 HH21 ARG 336 0.799 2.333 10.184 86 HH12 ARG 336 HH22 ARG 336 2.486 2.020 10.417 87 HH21 ARG 336 HH11 ARG 336 3.001 4.814 12.406 88 HH22 ARG 336 HH12 ARG 336 3.732 3.424 11.675 89 H ILE 337 H ILE 337 -2.862 5.642 5.814 90 HA ILE 337 HA ILE 337 -0.443 7.318 5.837 91 HB ILE 337 HB ILE 337 -2.078 6.922 3.350 92 HG12 ILE 337 HG13 ILE 337 0.430 5.431 4.201 93 HG13 ILE 337 HG12 ILE 337 -1.178 4.717 4.090 94 HG21 ILE 337 HG21 ILE 337 -0.619 8.910 3.512 95 HG22 ILE 337 HG22 ILE 337 0.020 7.779 2.320 96 HG23 ILE 337 HG23 ILE 337 0.749 7.879 3.920 97 HD11 ILE 337 HD11 ILE 337 0.412 5.915 1.813 98 HD12 ILE 337 HD12 ILE 337 -1.247 5.329 1.677 99 HD13 ILE 337 HD13 ILE 337 0.059 4.205 2.062 100 HA PRO 338 HA PRO 338 -4.050 9.831 7.301 101 HB2 PRO 338 HB3 PRO 338 -1.730 11.694 7.626 102 HB3 PRO 338 HB2 PRO 338 -3.073 11.358 8.738 103 HG2 PRO 338 HG3 PRO 338 -0.640 10.347 9.134 104 HG3 PRO 338 HG2 PRO 338 -2.107 9.441 9.539 105 HD2 PRO 338 HD3 PRO 338 -0.195 9.028 7.307 106 HD3 PRO 338 HD2 PRO 338 -1.254 7.848 8.119 107 H VAL 339 H VAL 339 -5.282 10.790 5.804 108 HA VAL 339 HA VAL 339 -4.615 11.537 3.257 109 HB VAL 339 HB VAL 339 -6.595 13.029 3.295 110 HG11 VAL 339 HG11 VAL 339 -6.899 10.606 3.035 111 HG12 VAL 339 HG12 VAL 339 -8.222 11.287 3.981 112 HG13 VAL 339 HG13 VAL 339 -6.923 10.408 4.787 113 HG21 VAL 339 HG21 VAL 339 -6.397 14.072 5.448 114 HG22 VAL 339 HG22 VAL 339 -6.378 12.512 6.272 115 HG23 VAL 339 HG23 VAL 339 -7.861 13.088 5.510 116 H ALA 340 H ALA 340 -4.377 13.512 6.186 117 HA ALA 340 HA ALA 340 -3.840 16.007 5.193 118 HB1 ALA 340 HB1 ALA 340 -2.758 16.487 7.221 119 HB2 ALA 340 HB2 ALA 340 -2.123 14.849 7.377 120 HB3 ALA 340 HB3 ALA 340 -3.840 15.158 7.638 121 H ARG 341 H ARG 341 -2.036 13.163 4.650 122 HA ARG 341 HA ARG 341 0.420 14.601 3.961 123 HB2 ARG 341 HB3 ARG 341 0.269 12.297 5.164 124 HB3 ARG 341 HB2 ARG 341 -0.020 11.660 3.545 125 HG2 ARG 341 HG3 ARG 341 2.067 12.865 2.790 126 HG3 ARG 341 HG2 ARG 341 2.388 13.241 4.483 127 HD2 ARG 341 HD3 ARG 341 1.809 10.480 4.401 128 HD3 ARG 341 HD2 ARG 341 2.889 10.787 3.045 129 HE ARG 341 HE ARG 341 3.572 10.908 5.839 130 HH11 ARG 341 HH21 ARG 341 4.226 12.148 2.675 131 HH12 ARG 341 HH22 ARG 341 5.865 12.580 3.032 132 HH21 ARG 341 HH11 ARG 341 5.719 11.471 6.315 133 HH22 ARG 341 HH12 ARG 341 6.710 12.198 5.094 134 H ILE 342 H ILE 342 -1.751 12.256 2.362 135 HA ILE 342 HA ILE 342 -0.717 12.778 -0.241 136 HB ILE 342 HB ILE 342 -3.364 11.533 0.534 137 HG12 ILE 342 HG13 ILE 342 -1.203 9.744 -0.284 138 HG13 ILE 342 HG12 ILE 342 -0.802 10.629 1.183 139 HG21 ILE 342 HG21 ILE 342 -3.679 11.278 -1.678 140 HG22 ILE 342 HG22 ILE 342 -2.140 10.436 -1.806 141 HG23 ILE 342 HG23 ILE 342 -2.200 12.187 -1.984 142 HD11 ILE 342 HD11 ILE 342 -2.054 8.403 1.483 143 HD12 ILE 342 HD12 ILE 342 -3.464 9.237 0.843 144 HD13 ILE 342 HD13 ILE 342 -2.710 9.799 2.335 145 H LEU 343 H LEU 343 -3.899 13.528 1.210 146 HA LEU 343 HA LEU 343 -4.629 15.304 -0.904 147 HB2 LEU 343 HB3 LEU 343 -5.755 14.660 1.806 148 HB3 LEU 343 HB2 LEU 343 -6.404 16.008 0.876 149 HG LEU 343 HG LEU 343 -7.636 13.851 0.503 150 HD11 LEU 343 HD11 LEU 343 -6.923 15.751 -1.364 151 HD12 LEU 343 HD12 LEU 343 -8.090 14.463 -1.637 152 HD13 LEU 343 HD13 LEU 343 -6.414 14.256 -2.145 153 HD21 LEU 343 HD21 LEU 343 -5.142 12.955 -0.952 154 HD22 LEU 343 HD22 LEU 343 -6.573 12.002 -0.566 155 HD23 LEU 343 HD23 LEU 343 -5.473 12.496 0.719 156 H GLY 344 H GLY 344 -2.261 15.651 1.251 157 HA2 GLY 344 HA3 GLY 344 -2.529 18.057 2.564 158 HA3 GLY 344 HA2 GLY 344 -1.008 17.475 1.891 159 H ASP 345 H ASP 345 -2.963 20.058 1.916 160 HA ASP 345 HA ASP 345 -1.732 21.283 -0.343 161 HB2 ASP 345 HB3 ASP 345 -3.867 21.704 -1.605 162 HB3 ASP 345 HB2 ASP 345 -3.305 20.034 -1.660 163 HA PRO 346 HA PRO 346 -3.653 23.994 2.939 164 HB2 PRO 346 HB3 PRO 346 -1.347 24.876 4.095 165 HB3 PRO 346 HB2 PRO 346 -2.176 23.391 4.601 166 HG2 PRO 346 HG3 PRO 346 0.254 23.727 2.939 167 HG3 PRO 346 HG2 PRO 346 -0.161 22.455 4.098 168 HD2 PRO 346 HD3 PRO 346 -0.360 22.210 1.329 169 HD3 PRO 346 HD2 PRO 346 -1.208 21.188 2.508 170 H GLU 347 H GLU 347 -4.312 25.795 1.903 171 HA GLU 347 HA GLU 347 -2.283 27.677 0.919 172 HB2 GLU 347 HB3 GLU 347 -4.670 26.759 -0.703 173 HB3 GLU 347 HB2 GLU 347 -3.556 28.050 -1.157 174 HG2 GLU 347 HG3 GLU 347 -1.683 26.342 -0.972 175 HG3 GLU 347 HG2 GLU 347 -2.932 25.107 -0.828 176 H GLU 348 H GLU 348 -3.737 27.831 3.301 177 HA GLU 348 HA GLU 348 -6.140 29.317 3.094 178 HB2 GLU 348 HB3 GLU 348 -4.083 29.211 5.313 179 HB3 GLU 348 HB2 GLU 348 -5.689 29.929 5.459 180 HG2 GLU 348 HG3 GLU 348 -6.760 27.815 5.068 181 HG3 GLU 348 HG2 GLU 348 -5.234 27.060 4.611 182 H GLU 349 H GLU 349 -3.091 30.147 2.121 183 HA GLU 349 HA GLU 349 -3.370 32.996 2.794 184 HB2 GLU 349 HB3 GLU 349 -1.067 33.196 1.915 185 HB3 GLU 349 HB2 GLU 349 -1.176 31.997 3.206 186 HG2 GLU 349 HG3 GLU 349 -1.742 30.644 0.775 187 HG3 GLU 349 HG2 GLU 349 -0.307 31.628 0.492 188 H1 MET 499 H1 MET 499 6.425 -21.033 -5.109 189 H2 MET 499 H2 MET 499 7.476 -22.158 -5.827 190 H3 MET 499 H3 MET 499 7.827 -20.496 -5.899 191 HA MET 499 HA MET 499 8.729 -22.292 -4.025 192 HB2 MET 499 HB3 MET 499 9.000 -19.513 -4.755 193 HB3 MET 499 HB2 MET 499 8.995 -19.669 -2.998 194 HG2 MET 499 HG3 MET 499 10.757 -21.380 -3.129 195 HG3 MET 499 HG2 MET 499 10.754 -21.260 -4.889 196 HE1 MET 499 HE1 MET 499 12.429 -20.126 -1.719 197 HE2 MET 499 HE2 MET 499 10.894 -19.266 -1.638 198 HE3 MET 499 HE3 MET 499 12.397 -18.358 -1.783 199 H ASP 500 H ASP 500 5.646 -21.246 -4.118 200 HA ASP 500 HA ASP 500 3.919 -21.161 -2.606 201 HB2 ASP 500 HB3 ASP 500 5.159 -23.362 -1.970 202 HB3 ASP 500 HB2 ASP 500 5.706 -22.448 -0.566 203 H LYS 501 H LYS 501 3.147 -20.006 -0.773 204 HA LYS 501 HA LYS 501 3.100 -18.231 0.684 205 HB2 LYS 501 HB3 LYS 501 6.042 -18.731 1.122 206 HB3 LYS 501 HB2 LYS 501 4.881 -18.021 2.243 207 HG2 LYS 501 HG3 LYS 501 3.624 -20.315 1.945 208 HG3 LYS 501 HG2 LYS 501 5.212 -20.892 1.432 209 HD2 LYS 501 HD3 LYS 501 6.065 -19.704 3.600 210 HD3 LYS 501 HD2 LYS 501 4.376 -19.797 4.106 211 HE2 LYS 501 HE3 LYS 501 6.178 -22.107 3.331 212 HE3 LYS 501 HE2 LYS 501 5.491 -21.778 4.922 213 HZ1 LYS 501 HZ1 LYS 501 3.272 -22.049 3.940 214 HZ2 LYS 501 HZ2 LYS 501 4.208 -23.461 3.816 215 HZ3 LYS 501 HZ3 LYS 501 3.984 -22.466 2.458 216 H ALA 502 H ALA 502 4.807 -18.237 -2.127 217 HA ALA 502 HA ALA 502 6.363 -15.931 -2.131 218 HB1 ALA 502 HB1 ALA 502 5.006 -17.586 -4.148 219 HB2 ALA 502 HB2 ALA 502 6.630 -16.900 -4.159 220 HB3 ALA 502 HB3 ALA 502 5.251 -15.909 -4.634 221 H TYR 503 H TYR 503 2.887 -16.288 -2.811 222 HA TYR 503 HA TYR 503 2.294 -13.657 -3.464 223 HB2 TYR 503 HB3 TYR 503 0.569 -15.247 -3.758 224 HB3 TYR 503 HB2 TYR 503 0.682 -15.798 -2.087 225 HD1 TYR 503 HD1 TYR 503 0.329 -12.457 -3.783 226 HD2 TYR 503 HD2 TYR 503 -1.155 -15.165 -0.793 227 HE1 TYR 503 HE1 TYR 503 -1.376 -10.786 -3.115 228 HE2 TYR 503 HE2 TYR 503 -2.864 -13.493 -0.130 229 HH TYR 503 HH TYR 503 -3.503 -10.679 -2.010 230 H LEU 504 H LEU 504 2.211 -15.180 -0.240 231 HA LEU 504 HA LEU 504 1.597 -12.754 1.133 232 HB2 LEU 504 HB3 LEU 504 2.758 -15.369 2.123 233 HB3 LEU 504 HB2 LEU 504 2.219 -14.055 3.168 234 HG LEU 504 HG LEU 504 0.315 -15.008 1.080 235 HD11 LEU 504 HD11 LEU 504 1.131 -16.575 3.532 236 HD12 LEU 504 HD12 LEU 504 0.968 -17.150 1.872 237 HD13 LEU 504 HD13 LEU 504 -0.469 -16.747 2.810 238 HD21 LEU 504 HD21 LEU 504 -1.309 -14.349 2.703 239 HD22 LEU 504 HD22 LEU 504 -0.047 -13.119 2.775 240 HD23 LEU 504 HD23 LEU 504 -0.120 -14.378 4.008 241 H ASP 505 H ASP 505 4.589 -14.495 0.418 242 HA ASP 505 HA ASP 505 6.336 -12.971 2.008 243 HB2 ASP 505 HB3 ASP 505 6.829 -15.154 0.774 244 HB3 ASP 505 HB2 ASP 505 7.056 -14.169 -0.669 245 H GLU 506 H GLU 506 5.332 -12.579 -1.380 246 HA GLU 506 HA GLU 506 6.919 -10.347 -1.993 247 HB2 GLU 506 HB3 GLU 506 4.250 -11.280 -3.055 248 HB3 GLU 506 HB2 GLU 506 5.097 -9.879 -3.710 249 HG2 GLU 506 HG3 GLU 506 6.523 -12.511 -3.405 250 HG3 GLU 506 HG2 GLU 506 5.504 -12.207 -4.811 251 H LEU 507 H LEU 507 3.574 -10.512 -0.777 252 HA LEU 507 HA LEU 507 3.018 -7.786 -0.692 253 HB2 LEU 507 HB3 LEU 507 2.013 -10.210 0.670 254 HB3 LEU 507 HB2 LEU 507 1.677 -8.687 1.490 255 HG LEU 507 HG LEU 507 1.116 -9.147 -1.463 256 HD11 LEU 507 HD11 LEU 507 -0.294 -10.698 -0.346 257 HD12 LEU 507 HD12 LEU 507 -1.303 -9.279 -0.632 258 HD13 LEU 507 HD13 LEU 507 -0.626 -9.571 0.970 259 HD21 LEU 507 HD21 LEU 507 -0.594 -7.230 -0.232 260 HD22 LEU 507 HD22 LEU 507 0.660 -6.941 -1.436 261 HD23 LEU 507 HD23 LEU 507 1.050 -6.846 0.272 262 H VAL 508 H VAL 508 4.490 -9.846 1.812 263 HA VAL 508 HA VAL 508 4.818 -7.788 3.727 264 HB VAL 508 HB VAL 508 6.461 -10.309 3.393 265 HG11 VAL 508 HG11 VAL 508 6.031 -8.342 5.642 266 HG12 VAL 508 HG12 VAL 508 7.554 -8.935 4.978 267 HG13 VAL 508 HG13 VAL 508 6.545 -10.000 5.957 268 HG21 VAL 508 HG21 VAL 508 4.454 -10.442 5.444 269 HG22 VAL 508 HG22 VAL 508 4.631 -11.465 4.018 270 HG23 VAL 508 HG23 VAL 508 3.683 -9.980 3.926 271 H GLU 509 H GLU 509 7.044 -9.166 1.319 272 HA GLU 509 HA GLU 509 9.285 -7.593 1.949 273 HB2 GLU 509 HB3 GLU 509 8.418 -8.818 -0.679 274 HB3 GLU 509 HB2 GLU 509 10.003 -8.096 -0.400 275 HG2 GLU 509 HG3 GLU 509 9.182 -10.041 1.658 276 HG3 GLU 509 HG2 GLU 509 9.395 -10.735 0.051 277 H LEU 510 H LEU 510 6.636 -7.036 -0.358 278 HA LEU 510 HA LEU 510 7.560 -4.674 -1.510 279 HB2 LEU 510 HB3 LEU 510 5.611 -5.917 -2.347 280 HB3 LEU 510 HB2 LEU 510 4.705 -5.482 -0.899 281 HG LEU 510 HG LEU 510 5.909 -3.152 -2.153 282 HD11 LEU 510 HD11 LEU 510 4.499 -3.118 -4.158 283 HD12 LEU 510 HD12 LEU 510 3.880 -4.722 -3.771 284 HD13 LEU 510 HD13 LEU 510 5.578 -4.510 -4.205 285 HD21 LEU 510 HD21 LEU 510 3.018 -3.917 -1.615 286 HD22 LEU 510 HD22 LEU 510 3.628 -2.287 -1.903 287 HD23 LEU 510 HD23 LEU 510 4.090 -3.154 -0.438 288 H HIS 511 H HIS 511 5.146 -4.953 1.115 289 HA HIS 511 HA HIS 511 4.952 -2.297 1.783 290 HB2 HIS 511 HB3 HIS 511 4.130 -4.729 2.913 291 HB3 HIS 511 HB2 HIS 511 5.028 -3.905 4.188 292 HD1 HIS 511 HD1 HIS 511 3.157 -2.971 5.600 293 HD2 HIS 511 HD2 HIS 511 2.654 -2.108 1.552 294 HE1 HIS 511 HE1 HIS 511 1.195 -1.379 5.440 295 HE2 HIS 511 HE2 HIS 511 0.899 -0.831 2.975 296 H ARG 512 H ARG 512 7.349 -4.639 2.971 297 HA ARG 512 HA ARG 512 8.673 -2.982 4.796 298 HB2 ARG 512 HB3 ARG 512 9.533 -5.342 3.144 299 HB3 ARG 512 HB2 ARG 512 10.693 -4.487 4.162 300 HG2 ARG 512 HG3 ARG 512 8.082 -5.212 5.403 301 HG3 ARG 512 HG2 ARG 512 9.219 -6.525 5.096 302 HD2 ARG 512 HD3 ARG 512 10.005 -3.974 6.517 303 HD3 ARG 512 HD2 ARG 512 9.436 -5.408 7.370 304 HE ARG 512 HE ARG 512 11.460 -6.342 5.776 305 HH11 ARG 512 HH21 ARG 512 11.102 -3.808 8.105 306 HH12 ARG 512 HH22 ARG 512 12.750 -3.873 8.635 307 HH21 ARG 512 HH11 ARG 512 13.623 -6.435 6.466 308 HH22 ARG 512 HH12 ARG 512 14.177 -5.361 7.707 309 H ARG 513 H ARG 513 9.321 -3.519 1.336 310 HA ARG 513 HA ARG 513 11.501 -1.682 1.218 311 HB2 ARG 513 HB3 ARG 513 9.768 -3.004 -0.863 312 HB3 ARG 513 HB2 ARG 513 11.008 -1.829 -1.302 313 HG2 ARG 513 HG3 ARG 513 11.863 -3.950 0.586 314 HG3 ARG 513 HG2 ARG 513 11.500 -4.487 -1.054 315 HD2 ARG 513 HD3 ARG 513 13.390 -2.232 -0.323 316 HD3 ARG 513 HD2 ARG 513 13.877 -3.848 -0.825 317 HE ARG 513 HE ARG 513 12.151 -2.674 -2.766 318 HH11 ARG 513 HH21 ARG 513 15.357 -2.582 -1.467 319 HH12 ARG 513 HH22 ARG 513 16.085 -2.024 -2.938 320 HH21 ARG 513 HH11 ARG 513 13.099 -1.944 -4.698 321 HH22 ARG 513 HH12 ARG 513 14.806 -1.663 -4.765 322 H LEU 514 H LEU 514 8.031 -1.385 0.863 323 HA LEU 514 HA LEU 514 8.008 1.163 -0.400 324 HB2 LEU 514 HB3 LEU 514 6.097 -0.511 -0.284 325 HB3 LEU 514 HB2 LEU 514 5.848 0.026 1.378 326 HG LEU 514 HG LEU 514 5.982 2.421 0.159 327 HD11 LEU 514 HD11 LEU 514 4.843 2.353 -1.985 328 HD12 LEU 514 HD12 LEU 514 4.666 0.601 -1.876 329 HD13 LEU 514 HD13 LEU 514 6.266 1.319 -2.071 330 HD21 LEU 514 HD21 LEU 514 3.492 2.384 0.156 331 HD22 LEU 514 HD22 LEU 514 4.162 1.663 1.618 332 HD23 LEU 514 HD23 LEU 514 3.539 0.630 0.331 333 H MET 515 H MET 515 7.972 0.083 2.960 334 HA MET 515 HA MET 515 7.417 2.553 4.183 335 HB2 MET 515 HB3 MET 515 8.929 0.118 5.129 336 HB3 MET 515 HB2 MET 515 8.645 1.520 6.162 337 HG2 MET 515 HG3 MET 515 6.272 0.472 4.723 338 HG3 MET 515 HG2 MET 515 6.920 -0.561 5.997 339 HE1 MET 515 HE1 MET 515 4.110 1.806 5.571 340 HE2 MET 515 HE2 MET 515 3.736 1.435 7.253 341 HE3 MET 515 HE3 MET 515 4.261 0.148 6.170 342 H THR 516 H THR 516 10.136 1.533 2.429 343 HA THR 516 HA THR 516 11.970 3.376 3.773 344 HB THR 516 HB THR 516 12.294 1.320 1.595 345 HG1 THR 516 HG1 THR 516 12.396 1.087 4.072 346 HG21 THR 516 HG21 THR 516 13.725 2.953 0.752 347 HG22 THR 516 HG22 THR 516 14.795 2.093 1.858 348 HG23 THR 516 HG23 THR 516 14.067 3.621 2.349 349 H LEU 517 H LEU 517 10.170 3.016 0.770 350 HA LEU 517 HA LEU 517 11.363 4.977 -0.797 351 HB2 LEU 517 HB3 LEU 517 8.999 3.424 -0.874 352 HB3 LEU 517 HB2 LEU 517 8.508 5.103 -1.102 353 HG LEU 517 HG LEU 517 10.276 5.330 -2.853 354 HD11 LEU 517 HD11 LEU 517 11.857 3.744 -3.060 355 HD12 LEU 517 HD12 LEU 517 10.618 2.550 -3.447 356 HD13 LEU 517 HD13 LEU 517 11.088 2.821 -1.768 357 HD21 LEU 517 HD21 LEU 517 9.092 3.854 -4.540 358 HD22 LEU 517 HD22 LEU 517 8.023 4.890 -3.594 359 HD23 LEU 517 HD23 LEU 517 8.171 3.177 -3.197 360 H ARG 518 H ARG 518 10.831 7.176 -1.194 361 HA ARG 518 HA ARG 518 9.374 8.558 0.962 362 HB2 ARG 518 HB3 ARG 518 11.951 9.683 -0.102 363 HB3 ARG 518 HB2 ARG 518 11.107 10.067 1.399 364 HG2 ARG 518 HG3 ARG 518 11.568 7.674 2.132 365 HG3 ARG 518 HG2 ARG 518 12.644 7.545 0.739 366 HD2 ARG 518 HD3 ARG 518 12.907 9.324 3.155 367 HD3 ARG 518 HD2 ARG 518 14.082 8.193 2.491 368 HE ARG 518 HE ARG 518 13.770 10.006 0.483 369 HH11 ARG 518 HH21 ARG 518 14.404 10.221 3.879 370 HH12 ARG 518 HH22 ARG 518 15.332 11.678 3.753 371 HH21 ARG 518 HH11 ARG 518 14.986 11.916 0.310 372 HH22 ARG 518 HH12 ARG 518 15.662 12.638 1.733 373 H GLU 519 H GLU 519 9.384 7.898 -2.157 374 HA GLU 519 HA GLU 519 9.196 10.528 -3.327 375 HB2 GLU 519 HB3 GLU 519 8.762 7.722 -4.284 376 HB3 GLU 519 HB2 GLU 519 8.136 9.068 -5.236 377 HG2 GLU 519 HG3 GLU 519 10.481 8.323 -5.853 378 HG3 GLU 519 HG2 GLU 519 10.320 10.034 -5.465 379 H ARG 520 H ARG 520 7.558 11.800 -2.698 380 HA ARG 520 HA ARG 520 5.066 10.909 -1.716 381 HB2 ARG 520 HB3 ARG 520 6.106 13.190 -1.370 382 HB3 ARG 520 HB2 ARG 520 5.601 13.584 -3.014 383 HG2 ARG 520 HG3 ARG 520 3.249 12.944 -2.352 384 HG3 ARG 520 HG2 ARG 520 3.819 12.817 -0.689 385 HD2 ARG 520 HD3 ARG 520 3.224 15.206 -2.269 386 HD3 ARG 520 HD2 ARG 520 3.351 15.020 -0.523 387 HE ARG 520 HE ARG 520 5.905 14.971 -1.872 388 HH11 ARG 520 HH21 ARG 520 3.393 16.921 -0.509 389 HH12 ARG 520 HH22 ARG 520 4.427 18.273 -0.188 390 HH21 ARG 520 HH11 ARG 520 7.268 16.740 -1.453 391 HH22 ARG 520 HH12 ARG 520 6.621 18.171 -0.723 392 H HIS 521 H HIS 521 5.866 12.379 -4.872 393 HA HIS 521 HA HIS 521 3.474 12.314 -6.150 394 HB2 HIS 521 HB3 HIS 521 6.257 12.144 -6.975 395 HB3 HIS 521 HB2 HIS 521 5.194 11.271 -8.078 396 HD1 HIS 521 HD1 HIS 521 4.158 14.355 -6.155 397 HD2 HIS 521 HD2 HIS 521 5.068 13.254 -10.072 398 HE1 HIS 521 HE1 HIS 521 3.527 16.324 -7.618 399 HE2 HIS 521 HE2 HIS 521 4.075 15.668 -10.008 400 H ILE 522 H ILE 522 5.757 9.564 -6.312 401 HA ILE 522 HA ILE 522 4.087 7.722 -7.518 402 HB ILE 522 HB ILE 522 6.303 7.382 -5.504 403 HG12 ILE 522 HG13 ILE 522 6.136 6.614 -8.431 404 HG13 ILE 522 HG12 ILE 522 6.716 8.189 -7.888 405 HG21 ILE 522 HG21 ILE 522 4.442 5.358 -6.695 406 HG22 ILE 522 HG22 ILE 522 5.185 5.394 -5.096 407 HG23 ILE 522 HG23 ILE 522 6.141 4.924 -6.499 408 HD11 ILE 522 HD11 ILE 522 8.529 7.182 -6.657 409 HD12 ILE 522 HD12 ILE 522 8.542 6.480 -8.275 410 HD13 ILE 522 HD13 ILE 522 7.879 5.564 -6.922 411 H LEU 523 H LEU 523 4.204 8.734 -4.149 412 HA LEU 523 HA LEU 523 2.582 6.677 -3.079 413 HB2 LEU 523 HB3 LEU 523 3.933 8.895 -2.081 414 HB3 LEU 523 HB2 LEU 523 2.234 9.251 -1.768 415 HG LEU 523 HG LEU 523 2.041 6.896 -0.817 416 HD11 LEU 523 HD11 LEU 523 4.878 6.772 -0.163 417 HD12 LEU 523 HD12 LEU 523 4.610 6.664 -1.903 418 HD13 LEU 523 HD13 LEU 523 3.829 5.515 -0.817 419 HD21 LEU 523 HD21 LEU 523 2.938 7.560 1.342 420 HD22 LEU 523 HD22 LEU 523 2.266 8.988 0.557 421 HD23 LEU 523 HD23 LEU 523 4.010 8.732 0.577 422 H GLN 524 H GLN 524 1.785 9.943 -4.259 423 HA GLN 524 HA GLN 524 -0.954 9.901 -3.727 424 HB2 GLN 524 HB3 GLN 524 0.485 11.235 -6.031 425 HB3 GLN 524 HB2 GLN 524 -1.141 11.629 -5.469 426 HG2 GLN 524 HG3 GLN 524 -0.045 12.007 -3.157 427 HG3 GLN 524 HG2 GLN 524 1.484 12.036 -4.037 428 HE21 GLN 524 HE21 GLN 524 0.912 13.444 -6.338 429 HE22 GLN 524 HE22 GLN 524 0.343 14.997 -5.964 430 H GLN 525 H GLN 525 0.834 8.741 -6.559 431 HA GLN 525 HA GLN 525 -1.408 8.039 -8.129 432 HB2 GLN 525 HB3 GLN 525 1.396 6.898 -8.083 433 HB3 GLN 525 HB2 GLN 525 0.203 6.577 -9.342 434 HG2 GLN 525 HG3 GLN 525 0.467 8.628 -10.290 435 HG3 GLN 525 HG2 GLN 525 0.596 9.438 -8.729 436 HE21 GLN 525 HE21 GLN 525 2.565 10.574 -8.937 437 HE22 GLN 525 HE22 GLN 525 4.045 9.839 -9.326 438 H ILE 526 H ILE 526 0.556 6.164 -5.837 439 HA ILE 526 HA ILE 526 -0.649 3.675 -6.174 440 HB ILE 526 HB ILE 526 0.649 5.006 -3.808 441 HG12 ILE 526 HG13 ILE 526 1.475 2.500 -5.266 442 HG13 ILE 526 HG12 ILE 526 1.855 4.090 -5.927 443 HG21 ILE 526 HG21 ILE 526 -0.777 3.577 -2.639 444 HG22 ILE 526 HG22 ILE 526 0.604 2.520 -2.937 445 HG23 ILE 526 HG23 ILE 526 -0.834 2.399 -3.950 446 HD11 ILE 526 HD11 ILE 526 3.205 4.666 -4.091 447 HD12 ILE 526 HD12 ILE 526 3.600 2.969 -4.366 448 HD13 ILE 526 HD13 ILE 526 2.499 3.421 -3.064 449 H VAL 527 H VAL 527 -1.474 6.205 -3.789 450 HA VAL 527 HA VAL 527 -3.575 5.064 -2.496 451 HB VAL 527 HB VAL 527 -3.581 7.900 -3.557 452 HG11 VAL 527 HG11 VAL 527 -4.660 7.837 -0.998 453 HG12 VAL 527 HG12 VAL 527 -5.320 6.386 -1.753 454 HG13 VAL 527 HG13 VAL 527 -5.576 7.962 -2.497 455 HG21 VAL 527 HG21 VAL 527 -1.737 8.180 -2.291 456 HG22 VAL 527 HG22 VAL 527 -1.848 6.533 -1.670 457 HG23 VAL 527 HG23 VAL 527 -2.737 7.836 -0.882 458 H ASN 528 H ASN 528 -3.803 6.772 -5.623 459 HA ASN 528 HA ASN 528 -6.531 6.419 -6.080 460 HB2 ASN 528 HB3 ASN 528 -4.906 7.800 -7.451 461 HB3 ASN 528 HB2 ASN 528 -4.395 6.297 -8.216 462 HD21 ASN 528 HD21 ASN 528 -6.644 4.911 -8.768 463 HD22 ASN 528 HD22 ASN 528 -7.739 5.822 -9.693 464 H LEU 529 H LEU 529 -3.805 4.262 -6.771 465 HA LEU 529 HA LEU 529 -5.225 2.295 -8.182 466 HB2 LEU 529 HB3 LEU 529 -2.613 2.611 -7.089 467 HB3 LEU 529 HB2 LEU 529 -3.233 1.056 -6.540 468 HG LEU 529 HG LEU 529 -2.062 0.843 -8.690 469 HD11 LEU 529 HD11 LEU 529 -3.522 -0.779 -9.244 470 HD12 LEU 529 HD12 LEU 529 -4.735 0.406 -9.729 471 HD13 LEU 529 HD13 LEU 529 -4.622 -0.102 -8.045 472 HD21 LEU 529 HD21 LEU 529 -3.312 3.289 -9.252 473 HD22 LEU 529 HD22 LEU 529 -4.081 2.130 -10.338 474 HD23 LEU 529 HD23 LEU 529 -2.330 2.335 -10.362 475 H ILE 530 H ILE 530 -4.714 2.715 -4.698 476 HA ILE 530 HA ILE 530 -5.980 0.289 -3.928 477 HB ILE 530 HB ILE 530 -5.903 2.765 -2.225 478 HG12 ILE 530 HG13 ILE 530 -3.694 2.665 -3.173 479 HG13 ILE 530 HG12 ILE 530 -3.584 1.953 -1.570 480 HG21 ILE 530 HG21 ILE 530 -5.142 0.086 -1.223 481 HG22 ILE 530 HG22 ILE 530 -6.824 0.252 -1.726 482 HG23 ILE 530 HG23 ILE 530 -6.164 1.317 -0.484 483 HD11 ILE 530 HD11 ILE 530 -4.021 -0.307 -2.785 484 HD12 ILE 530 HD12 ILE 530 -2.418 0.413 -2.919 485 HD13 ILE 530 HD13 ILE 530 -3.564 0.567 -4.248 486 H GLU 531 H GLU 531 -7.150 3.408 -4.872 487 HA GLU 531 HA GLU 531 -9.779 3.047 -3.718 488 HB2 GLU 531 HB3 GLU 531 -8.467 5.139 -5.413 489 HB3 GLU 531 HB2 GLU 531 -10.226 5.102 -5.274 490 HG2 GLU 531 HG3 GLU 531 -10.095 5.265 -2.857 491 HG3 GLU 531 HG2 GLU 531 -8.339 5.129 -2.906 492 H GLU 532 H GLU 532 -8.209 2.564 -6.808 493 HA GLU 532 HA GLU 532 -10.529 2.277 -8.410 494 HB2 GLU 532 HB3 GLU 532 -8.043 2.519 -9.113 495 HB3 GLU 532 HB2 GLU 532 -7.982 0.766 -8.924 496 HG2 GLU 532 HG3 GLU 532 -8.545 1.154 -11.214 497 HG3 GLU 532 HG2 GLU 532 -10.042 0.663 -10.423 498 H THR 533 H THR 533 -8.680 0.007 -6.446 499 HA THR 533 HA THR 533 -10.079 -2.332 -7.330 500 HB THR 533 HB THR 533 -7.881 -2.637 -6.403 501 HG1 THR 533 HG1 THR 533 -10.018 -3.524 -4.792 502 HG21 THR 533 HG21 THR 533 -7.402 -2.011 -4.049 503 HG22 THR 533 HG22 THR 533 -9.001 -1.285 -3.931 504 HG23 THR 533 HG23 THR 533 -7.804 -0.613 -5.033 505 H GLY 534 H GLY 534 -11.205 0.250 -5.694 506 HA2 GLY 534 HA3 GLY 534 -12.877 0.620 -4.130 507 HA3 GLY 534 HA2 GLY 534 -13.668 -0.676 -5.022 508 H HIS 535 H HIS 535 -10.702 -1.184 -3.250 509 HA HIS 535 HA HIS 535 -12.194 -2.569 -1.109 510 HB2 HIS 535 HB3 HIS 535 -10.685 -3.824 -3.143 511 HB3 HIS 535 HB2 HIS 535 -9.723 -3.926 -1.668 512 HD1 HIS 535 HD1 HIS 535 -10.344 -5.779 -0.124 513 HD2 HIS 535 HD2 HIS 535 -13.522 -4.725 -2.609 514 HE1 HIS 535 HE1 HIS 535 -12.221 -7.404 0.384 515 HE2 HIS 535 HE2 HIS 535 -14.164 -6.774 -1.123 516 H PHE 536 H PHE 536 -11.758 -1.188 0.539 517 HA PHE 536 HA PHE 536 -9.211 -1.239 1.770 518 HB2 PHE 536 HB3 PHE 536 -8.643 1.174 1.536 519 HB3 PHE 536 HB2 PHE 536 -8.535 0.296 0.011 520 HD1 PHE 536 HD1 PHE 536 -10.537 2.695 1.986 521 HD2 PHE 536 HD2 PHE 536 -10.103 0.695 -1.789 522 HE1 PHE 536 HE1 PHE 536 -12.185 4.247 0.972 523 HE2 PHE 536 HE2 PHE 536 -11.748 2.246 -2.800 524 HZ PHE 536 HZ PHE 536 -12.791 4.023 -1.421 525 H HIS 537 H HIS 537 -9.175 0.844 3.405 526 HA HIS 537 HA HIS 537 -11.897 1.157 4.500 527 HB2 HIS 537 HB3 HIS 537 -9.836 -0.456 5.623 528 HB3 HIS 537 HB2 HIS 537 -10.033 0.959 6.657 529 HD1 HIS 537 HD1 HIS 537 -12.774 1.531 7.059 530 HD2 HIS 537 HD2 HIS 537 -11.668 -2.410 6.267 531 HE1 HIS 537 HE1 HIS 537 -14.687 0.075 7.859 532 HE2 HIS 537 HE2 HIS 537 -14.027 -2.330 7.383 533 H ILE 538 H ILE 538 -12.120 3.312 4.105 534 HA ILE 538 HA ILE 538 -9.935 5.124 4.821 535 HB ILE 538 HB ILE 538 -11.023 5.408 2.630 536 HG12 ILE 538 HG13 ILE 538 -12.053 7.842 3.780 537 HG13 ILE 538 HG12 ILE 538 -10.553 7.392 4.596 538 HG21 ILE 538 HG21 ILE 538 -13.300 4.655 3.746 539 HG22 ILE 538 HG22 ILE 538 -13.299 5.759 2.373 540 HG23 ILE 538 HG23 ILE 538 -13.493 6.387 4.009 541 HD11 ILE 538 HD11 ILE 538 -10.078 8.770 2.614 542 HD12 ILE 538 HD12 ILE 538 -10.935 7.607 1.600 543 HD13 ILE 538 HD13 ILE 538 -9.444 7.135 2.409 544 H THR 539 H THR 539 -9.917 6.152 6.703 545 HA THR 539 HA THR 539 -12.281 6.064 8.418 546 HB THR 539 HB THR 539 -10.019 7.480 9.539 547 HG1 THR 539 HG1 THR 539 -9.576 5.134 8.099 548 HG21 THR 539 HG21 THR 539 -11.172 4.764 10.213 549 HG22 THR 539 HG22 THR 539 -11.900 6.287 10.722 550 HG23 THR 539 HG23 THR 539 -10.290 5.845 11.290 551 H ASN 540 H ASN 540 -13.205 7.925 9.362 552 HA ASN 540 HA ASN 540 -13.459 10.152 7.621 553 HB2 ASN 540 HB3 ASN 540 -15.154 10.794 8.997 554 HB3 ASN 540 HB2 ASN 540 -14.981 9.154 9.616 555 HD21 ASN 540 HD21 ASN 540 -15.067 12.383 10.587 556 HD22 ASN 540 HD22 ASN 540 -14.297 12.216 12.091 557 H THR 541 H THR 541 -10.938 9.333 9.579 558 HA THR 541 HA THR 541 -10.005 12.121 9.682 559 HB THR 541 HB THR 541 -8.933 11.241 11.981 560 HG1 THR 541 HG1 THR 541 -11.436 10.254 12.435 561 HG21 THR 541 HG21 THR 541 -11.692 12.421 11.570 562 HG22 THR 541 HG22 THR 541 -10.180 13.304 11.776 563 HG23 THR 541 HG23 THR 541 -10.855 12.387 13.121 564 H THR 542 H THR 542 -9.525 9.194 8.472 565 HA THR 542 HA THR 542 -6.754 9.627 7.912 566 HB THR 542 HB THR 542 -7.074 7.030 9.307 567 HG1 THR 542 HG1 THR 542 -6.671 9.416 10.763 568 HG21 THR 542 HG21 THR 542 -4.774 7.495 9.940 569 HG22 THR 542 HG22 THR 542 -4.924 9.162 9.378 570 HG23 THR 542 HG23 THR 542 -4.967 7.837 8.221 571 H PHE 543 H PHE 543 -5.835 7.741 6.650 572 HA PHE 543 HA PHE 543 -7.933 6.179 5.306 573 HB2 PHE 543 HB3 PHE 543 -7.678 7.903 3.747 574 HB3 PHE 543 HB2 PHE 543 -5.953 8.055 4.060 575 HD1 PHE 543 HD1 PHE 543 -8.225 5.179 3.199 576 HD2 PHE 543 HD2 PHE 543 -4.679 7.412 2.220 577 HE1 PHE 543 HE1 PHE 543 -7.728 3.596 1.353 578 HE2 PHE 543 HE2 PHE 543 -4.193 5.834 0.377 579 HZ PHE 543 HZ PHE 543 -5.713 3.923 -0.057 580 H ASP 544 H ASP 544 -7.422 4.097 5.500 581 HA ASP 544 HA ASP 544 -4.624 3.274 5.092 582 HB2 ASP 544 HB3 ASP 544 -4.570 1.916 7.030 583 HB3 ASP 544 HB2 ASP 544 -5.207 3.469 7.566 584 H PHE 545 H PHE 545 -4.433 0.926 4.688 585 HA PHE 545 HA PHE 545 -6.881 -0.413 3.817 586 HB2 PHE 545 HB3 PHE 545 -5.898 -0.890 1.575 587 HB3 PHE 545 HB2 PHE 545 -6.259 0.818 1.822 588 HD1 PHE 545 HD2 PHE 545 -4.300 2.284 2.791 589 HD2 PHE 545 HD1 PHE 545 -3.755 -1.525 0.876 590 HE1 PHE 545 HE2 PHE 545 -1.924 2.839 2.362 591 HE2 PHE 545 HE1 PHE 545 -1.383 -0.962 0.442 592 HZ PHE 545 HZ PHE 545 -0.464 1.216 1.187 593 H ASP 546 H ASP 546 -6.681 -2.651 3.679 594 HA ASP 546 HA ASP 546 -4.381 -3.747 5.104 595 HB2 ASP 546 HB3 ASP 546 -6.281 -5.735 4.279 596 HB3 ASP 546 HB2 ASP 546 -5.876 -5.197 5.908 597 H LEU 547 H LEU 547 -2.672 -4.442 4.009 598 HA LEU 547 HA LEU 547 -2.563 -4.814 1.213 599 HB2 LEU 547 HB3 LEU 547 -0.791 -5.446 3.524 600 HB3 LEU 547 HB2 LEU 547 -0.421 -6.185 1.973 601 HG LEU 547 HG LEU 547 0.708 -3.954 2.423 602 HD11 LEU 547 HD11 LEU 547 -0.515 -4.911 0.043 603 HD12 LEU 547 HD12 LEU 547 0.888 -3.852 0.203 604 HD13 LEU 547 HD13 LEU 547 -0.736 -3.164 0.086 605 HD21 LEU 547 HD21 LEU 547 -1.992 -2.743 1.865 606 HD22 LEU 547 HD22 LEU 547 -0.544 -1.968 2.455 607 HD23 LEU 547 HD23 LEU 547 -1.438 -3.058 3.506 608 H CYS 548 H CYS 548 -3.173 -7.040 3.863 609 HA CYS 548 HA CYS 548 -2.978 -9.429 2.334 610 HB2 CYS 548 HB3 CYS 548 -3.518 -10.479 4.272 611 HB3 CYS 548 HB2 CYS 548 -3.223 -8.893 4.983 612 HG CYS 548 HG CYS 548 -5.954 -10.232 4.707 613 H SER 549 H SER 549 -5.661 -7.254 3.118 614 HA SER 549 HA SER 549 -7.669 -8.899 1.908 615 HB2 SER 549 HB3 SER 549 -7.775 -5.922 2.445 616 HB3 SER 549 HB2 SER 549 -9.142 -7.013 2.235 617 HG SER 549 HG SER 549 -8.891 -7.703 4.218 618 H LEU 550 H LEU 550 -5.363 -6.604 0.743 619 HA LEU 550 HA LEU 550 -6.683 -5.768 -1.598 620 HB2 LEU 550 HB3 LEU 550 -4.070 -5.510 -0.433 621 HB3 LEU 550 HB2 LEU 550 -3.900 -5.929 -2.135 622 HG LEU 550 HG LEU 550 -4.003 -3.481 -1.813 623 HD11 LEU 550 HD11 LEU 550 -6.651 -3.954 -3.026 624 HD12 LEU 550 HD12 LEU 550 -5.354 -4.945 -3.688 625 HD13 LEU 550 HD13 LEU 550 -5.225 -3.188 -3.710 626 HD21 LEU 550 HD21 LEU 550 -6.845 -3.385 -1.179 627 HD22 LEU 550 HD22 LEU 550 -5.505 -2.499 -0.452 628 HD23 LEU 550 HD23 LEU 550 -5.900 -4.121 0.115 629 H ASP 551 H ASP 551 -6.596 -6.505 -3.717 630 HA ASP 551 HA ASP 551 -6.275 -9.382 -3.975 631 HB2 ASP 551 HB3 ASP 551 -6.923 -8.560 -6.471 632 HB3 ASP 551 HB2 ASP 551 -8.113 -8.872 -5.210 633 H LYS 552 H LYS 552 -5.414 -9.872 -6.412 634 HA LYS 552 HA LYS 552 -2.589 -9.335 -6.256 635 HB2 LYS 552 HB3 LYS 552 -3.963 -10.670 -8.575 636 HB3 LYS 552 HB2 LYS 552 -2.340 -10.948 -7.944 637 HG2 LYS 552 HG3 LYS 552 -3.275 -12.717 -6.876 638 HG3 LYS 552 HG2 LYS 552 -3.892 -11.513 -5.748 639 HD2 LYS 552 HD3 LYS 552 -5.887 -11.280 -7.375 640 HD3 LYS 552 HD2 LYS 552 -5.314 -12.788 -8.085 641 HE2 LYS 552 HE3 LYS 552 -6.500 -12.291 -5.390 642 HE3 LYS 552 HE2 LYS 552 -6.740 -13.650 -6.490 643 HZ1 LYS 552 HZ1 LYS 552 -4.452 -13.130 -4.693 644 HZ2 LYS 552 HZ2 LYS 552 -4.330 -14.205 -6.002 645 HZ3 LYS 552 HZ3 LYS 552 -5.450 -14.500 -4.760 646 H THR 553 H THR 553 -5.290 -8.260 -8.234 647 HA THR 553 HA THR 553 -4.047 -7.108 -10.398 648 HB THR 553 HB THR 553 -6.477 -7.116 -10.128 649 HG1 THR 553 HG1 THR 553 -6.719 -5.260 -11.154 650 HG21 THR 553 HG21 THR 553 -6.169 -6.432 -7.595 651 HG22 THR 553 HG22 THR 553 -7.620 -5.957 -8.471 652 HG23 THR 553 HG23 THR 553 -6.317 -4.796 -8.236 653 H THR 554 H THR 554 -4.729 -5.439 -7.304 654 HA THR 554 HA THR 554 -3.288 -3.103 -7.926 655 HB THR 554 HB THR 554 -3.631 -4.174 -5.122 656 HG1 THR 554 HG1 THR 554 -5.610 -4.415 -6.093 657 HG21 THR 554 HG21 THR 554 -3.394 -1.981 -4.481 658 HG22 THR 554 HG22 THR 554 -4.128 -1.360 -5.959 659 HG23 THR 554 HG23 THR 554 -2.456 -1.915 -5.971 660 H VAL 555 H VAL 555 -2.349 -5.945 -5.988 661 HA VAL 555 HA VAL 555 0.186 -5.255 -5.225 662 HB VAL 555 HB VAL 555 -0.704 -7.947 -6.283 663 HG11 VAL 555 HG11 VAL 555 1.198 -8.272 -4.261 664 HG12 VAL 555 HG12 VAL 555 1.841 -6.964 -5.257 665 HG13 VAL 555 HG13 VAL 555 1.458 -8.523 -5.989 666 HG21 VAL 555 HG21 VAL 555 -1.720 -8.292 -4.282 667 HG22 VAL 555 HG22 VAL 555 -1.692 -6.534 -4.131 668 HG23 VAL 555 HG23 VAL 555 -0.421 -7.507 -3.393 669 H ARG 556 H ARG 556 -0.794 -6.544 -8.387 670 HA ARG 556 HA ARG 556 1.793 -6.693 -9.509 671 HB2 ARG 556 HB3 ARG 556 -0.903 -6.294 -10.829 672 HB3 ARG 556 HB2 ARG 556 0.589 -6.673 -11.692 673 HG2 ARG 556 HG3 ARG 556 0.173 -8.480 -9.448 674 HG3 ARG 556 HG2 ARG 556 -1.187 -8.520 -10.571 675 HD2 ARG 556 HD3 ARG 556 0.283 -8.990 -12.434 676 HD3 ARG 556 HD2 ARG 556 1.708 -8.757 -11.426 677 HE ARG 556 HE ARG 556 0.011 -10.810 -10.375 678 HH11 ARG 556 HH21 ARG 556 2.339 -10.056 -12.823 679 HH12 ARG 556 HH22 ARG 556 2.904 -11.686 -12.982 680 HH21 ARG 556 HH11 ARG 556 0.746 -12.949 -10.579 681 HH22 ARG 556 HH12 ARG 556 2.003 -13.323 -11.712 682 H LYS 557 H LYS 557 -0.666 -4.122 -9.596 683 HA LYS 557 HA LYS 557 0.786 -2.342 -11.237 684 HB2 LYS 557 HB3 LYS 557 -1.491 -2.082 -9.312 685 HB3 LYS 557 HB2 LYS 557 -0.698 -0.619 -9.895 686 HG2 LYS 557 HG3 LYS 557 -1.417 -2.686 -11.924 687 HG3 LYS 557 HG2 LYS 557 -2.732 -1.742 -11.227 688 HD2 LYS 557 HD3 LYS 557 -1.788 0.316 -11.956 689 HD3 LYS 557 HD2 LYS 557 -0.235 -0.438 -12.317 690 HE2 LYS 557 HE3 LYS 557 -0.957 -1.286 -14.321 691 HE3 LYS 557 HE2 LYS 557 -2.600 -1.548 -13.735 692 HZ1 LYS 557 HZ1 LYS 557 -1.446 1.126 -14.304 693 HZ2 LYS 557 HZ2 LYS 557 -3.063 0.767 -13.923 694 HZ3 LYS 557 HZ3 LYS 557 -2.401 0.253 -15.400 695 H LEU 558 H LEU 558 0.733 -2.853 -7.746 696 HA LEU 558 HA LEU 558 2.295 -0.598 -7.035 697 HB2 LEU 558 HB3 LEU 558 1.946 -3.266 -5.650 698 HB3 LEU 558 HB2 LEU 558 2.709 -1.854 -4.924 699 HG LEU 558 HG LEU 558 -0.117 -1.904 -6.010 700 HD11 LEU 558 HD11 LEU 558 -0.228 -1.517 -3.262 701 HD12 LEU 558 HD12 LEU 558 1.006 -2.764 -3.454 702 HD13 LEU 558 HD13 LEU 558 -0.612 -3.014 -4.110 703 HD21 LEU 558 HD21 LEU 558 1.652 0.194 -4.864 704 HD22 LEU 558 HD22 LEU 558 -0.008 0.177 -4.274 705 HD23 LEU 558 HD23 LEU 558 0.312 0.345 -6.000 706 H GLN 559 H GLN 559 3.149 -3.973 -7.730 707 HA GLN 559 HA GLN 559 5.895 -3.802 -7.206 708 HB2 GLN 559 HB3 GLN 559 4.131 -5.601 -8.766 709 HB3 GLN 559 HB2 GLN 559 5.844 -5.628 -9.188 710 HG2 GLN 559 HG3 GLN 559 4.911 -5.815 -6.322 711 HG3 GLN 559 HG2 GLN 559 5.080 -7.246 -7.340 712 HE21 GLN 559 HE21 GLN 559 6.769 -7.423 -5.304 713 HE22 GLN 559 HE22 GLN 559 8.349 -6.949 -5.704 714 H SER 560 H SER 560 4.026 -2.969 -10.077 715 HA SER 560 HA SER 560 6.270 -2.526 -11.783 716 HB2 SER 560 HB3 SER 560 3.676 -2.812 -12.296 717 HB3 SER 560 HB2 SER 560 3.708 -1.053 -12.204 718 HG SER 560 HG SER 560 4.934 -2.796 -14.010 719 H TYR 561 H TYR 561 4.290 -0.431 -9.721 720 HA TYR 561 HA TYR 561 5.315 2.050 -10.469 721 HB2 TYR 561 HB3 TYR 561 3.983 0.943 -8.067 722 HB3 TYR 561 HB2 TYR 561 4.903 2.426 -7.820 723 HD1 TYR 561 HD2 TYR 561 4.573 4.218 -9.818 724 HD2 TYR 561 HD1 TYR 561 1.745 1.190 -8.682 725 HE1 TYR 561 HE2 TYR 561 2.748 5.531 -10.859 726 HE2 TYR 561 HE1 TYR 561 -0.081 2.504 -9.725 727 HH TYR 561 HH TYR 561 0.271 4.734 -11.892 728 H LEU 562 H LEU 562 6.589 -0.346 -8.204 729 HA LEU 562 HA LEU 562 8.735 1.318 -7.280 730 HB2 LEU 562 HB3 LEU 562 8.189 -1.648 -7.106 731 HB3 LEU 562 HB2 LEU 562 9.634 -0.903 -6.422 732 HG LEU 562 HG LEU 562 7.111 0.466 -5.738 733 HD11 LEU 562 HD11 LEU 562 6.480 -1.216 -4.041 734 HD12 LEU 562 HD12 LEU 562 7.728 -2.299 -4.654 735 HD13 LEU 562 HD13 LEU 562 6.350 -1.877 -5.670 736 HD21 LEU 562 HD21 LEU 562 8.203 0.677 -3.604 737 HD22 LEU 562 HD22 LEU 562 9.441 0.926 -4.834 738 HD23 LEU 562 HD23 LEU 562 9.336 -0.618 -3.990 739 H GLU 563 H GLU 563 8.440 -1.282 -9.683 740 HA GLU 563 HA GLU 563 11.157 -1.478 -10.375 741 HB2 GLU 563 HB3 GLU 563 8.645 -1.993 -11.977 742 HB3 GLU 563 HB2 GLU 563 10.265 -2.377 -12.561 743 HG2 GLU 563 HG3 GLU 563 9.824 -3.352 -9.847 744 HG3 GLU 563 HG2 GLU 563 8.659 -4.024 -10.988 745 H THR 564 H THR 564 9.119 1.140 -10.683 746 HA THR 564 HA THR 564 9.569 2.266 -13.154 747 HB THR 564 HB THR 564 8.162 3.274 -11.376 748 HG1 THR 564 HG1 THR 564 8.415 5.072 -12.404 749 HG21 THR 564 HG21 THR 564 9.934 2.881 -9.582 750 HG22 THR 564 HG22 THR 564 9.129 4.449 -9.538 751 HG23 THR 564 HG23 THR 564 10.752 4.311 -10.213 752 H SER 565 H SER 565 11.766 2.073 -10.408 753 HA SER 565 HA SER 565 13.747 3.850 -11.309 754 HB2 SER 565 HB3 SER 565 13.581 1.648 -9.350 755 HB3 SER 565 HB2 SER 565 15.197 1.984 -9.967 756 HG SER 565 HG SER 565 13.428 3.629 -8.531 757 H GLY 566 H GLY 566 15.131 3.753 -12.954 758 HA2 GLY 566 HA3 GLY 566 16.404 2.947 -14.692 759 HA3 GLY 566 HA2 GLY 566 16.476 1.422 -13.814 760 H THR 567 H THR 567 15.988 2.219 -16.731 761 HA THR 567 HA THR 567 13.741 0.366 -17.141 762 HB THR 567 HB THR 567 12.725 1.792 -18.805 763 HG1 THR 567 HG1 THR 567 13.732 3.464 -19.606 764 HG21 THR 567 HG21 THR 567 11.985 3.646 -17.393 765 HG22 THR 567 HG22 THR 567 13.374 3.419 -16.331 766 HG23 THR 567 HG23 THR 567 12.122 2.179 -16.424 767 H SER 568 H SER 568 16.402 -0.316 -17.330 768 HA SER 568 HA SER 568 17.944 -1.272 -18.740 769 HB2 SER 568 HB3 SER 568 15.416 -1.967 -19.684 770 HB3 SER 568 HB2 SER 568 16.273 -1.406 -21.116 771 HG SER 568 HG SER 568 17.667 -3.011 -20.926 Start of MODEL 9 1 H1 THR 326 H1 THR 326 8.058 -16.637 16.765 2 H2 THR 326 H2 THR 326 7.550 -17.418 15.344 3 H3 THR 326 H3 THR 326 8.341 -18.297 16.565 4 HA THR 326 HA THR 326 6.416 -18.777 17.506 5 HB THR 326 HB THR 326 6.856 -16.627 18.723 6 HG1 THR 326 HG1 THR 326 5.000 -16.893 19.672 7 HG21 THR 326 HG21 THR 326 4.754 -15.259 17.138 8 HG22 THR 326 HG22 THR 326 6.334 -15.409 16.368 9 HG23 THR 326 HG23 THR 326 6.185 -14.593 17.924 10 H GLN 327 H GLN 327 3.858 -18.065 17.328 11 HA GLN 327 HA GLN 327 2.904 -19.037 14.959 12 HB2 GLN 327 HB3 GLN 327 0.768 -18.085 15.517 13 HB3 GLN 327 HB2 GLN 327 1.558 -18.540 17.027 14 HG2 GLN 327 HG3 GLN 327 2.479 -16.064 16.927 15 HG3 GLN 327 HG2 GLN 327 1.078 -15.808 15.889 16 HE21 GLN 327 HE21 GLN 327 -0.369 -14.733 17.283 17 HE22 GLN 327 HE22 GLN 327 -0.870 -15.345 18.785 18 H GLY 328 H GLY 328 1.562 -17.813 13.300 19 HA2 GLY 328 HA3 GLY 328 1.593 -15.292 12.472 20 HA3 GLY 328 HA2 GLY 328 3.261 -15.743 12.128 21 H GLY 329 H GLY 329 0.105 -17.379 11.757 22 HA2 GLY 329 HA3 GLY 329 0.867 -18.652 9.318 23 HA3 GLY 329 HA2 GLY 329 -0.758 -18.593 9.995 24 H ARG 330 H ARG 330 -1.273 -15.907 10.079 25 HA ARG 330 HA ARG 330 -0.746 -14.790 7.429 26 HB2 ARG 330 HB3 ARG 330 -3.214 -14.396 7.086 27 HB3 ARG 330 HB2 ARG 330 -2.709 -16.081 6.946 28 HG2 ARG 330 HG3 ARG 330 -3.425 -15.262 9.685 29 HG3 ARG 330 HG2 ARG 330 -4.765 -15.206 8.539 30 HD2 ARG 330 HD3 ARG 330 -4.496 -17.506 7.962 31 HD3 ARG 330 HD2 ARG 330 -2.932 -17.597 8.766 32 HE ARG 330 HE ARG 330 -5.496 -17.906 10.005 33 HH11 ARG 330 HH21 ARG 330 -2.274 -16.721 10.436 34 HH12 ARG 330 HH22 ARG 330 -2.280 -16.927 12.156 35 HH21 ARG 330 HH11 ARG 330 -5.513 -18.180 12.260 36 HH22 ARG 330 HH12 ARG 330 -4.114 -17.753 13.188 37 HA PRO 331 HA PRO 331 -0.712 -11.830 11.090 38 HB2 PRO 331 HB3 PRO 331 1.260 -10.649 9.183 39 HB3 PRO 331 HB2 PRO 331 1.362 -10.829 10.945 40 HG2 PRO 331 HG3 PRO 331 2.725 -12.418 9.292 41 HG3 PRO 331 HG2 PRO 331 2.051 -13.010 10.821 42 HD2 PRO 331 HD3 PRO 331 1.124 -13.520 8.035 43 HD3 PRO 331 HD2 PRO 331 0.967 -14.539 9.484 44 H SER 332 H SER 332 -1.285 -9.534 11.069 45 HA SER 332 HA SER 332 -2.934 -8.853 8.722 46 HB2 SER 332 HB3 SER 332 -3.921 -8.951 11.075 47 HB3 SER 332 HB2 SER 332 -2.977 -7.507 11.426 48 HG SER 332 HG SER 332 -4.793 -6.659 10.659 49 H LEU 333 H LEU 333 -1.047 -8.164 7.504 50 HA LEU 333 HA LEU 333 0.507 -5.931 8.440 51 HB2 LEU 333 HB3 LEU 333 1.325 -7.701 6.819 52 HB3 LEU 333 HB2 LEU 333 0.282 -6.961 5.606 53 HG LEU 333 HG LEU 333 1.827 -4.894 6.894 54 HD11 LEU 333 HD11 LEU 333 3.398 -6.774 7.375 55 HD12 LEU 333 HD12 LEU 333 4.068 -5.598 6.246 56 HD13 LEU 333 HD13 LEU 333 3.437 -7.130 5.650 57 HD21 LEU 333 HD21 LEU 333 1.835 -6.079 4.101 58 HD22 LEU 333 HD22 LEU 333 2.583 -4.544 4.550 59 HD23 LEU 333 HD23 LEU 333 0.834 -4.739 4.672 60 H ILE 334 H ILE 334 -0.581 -4.081 8.728 61 HA ILE 334 HA ILE 334 -2.170 -3.048 6.459 62 HB ILE 334 HB ILE 334 -2.716 -2.624 9.403 63 HG12 ILE 334 HG13 ILE 334 -4.424 -4.067 7.367 64 HG13 ILE 334 HG12 ILE 334 -3.244 -4.915 8.366 65 HG21 ILE 334 HG21 ILE 334 -4.821 -1.573 8.473 66 HG22 ILE 334 HG22 ILE 334 -4.080 -1.661 6.873 67 HG23 ILE 334 HG23 ILE 334 -3.346 -0.666 8.132 68 HD11 ILE 334 HD11 ILE 334 -5.578 -4.897 9.324 69 HD12 ILE 334 HD12 ILE 334 -5.434 -3.148 9.488 70 HD13 ILE 334 HD13 ILE 334 -4.356 -4.210 10.394 71 H ALA 335 H ALA 335 -1.868 -0.951 5.878 72 HA ALA 335 HA ALA 335 0.194 0.560 7.373 73 HB1 ALA 335 HB1 ALA 335 1.190 1.246 5.396 74 HB2 ALA 335 HB2 ALA 335 -0.275 0.999 4.449 75 HB3 ALA 335 HB3 ALA 335 0.683 -0.385 4.965 76 H ARG 336 H ARG 336 -0.266 2.596 7.935 77 HA ARG 336 HA ARG 336 -2.901 3.666 7.150 78 HB2 ARG 336 HB3 ARG 336 -2.455 5.170 9.214 79 HB3 ARG 336 HB2 ARG 336 -2.886 3.481 9.490 80 HG2 ARG 336 HG3 ARG 336 -0.517 2.896 9.748 81 HG3 ARG 336 HG2 ARG 336 -0.053 4.565 9.415 82 HD2 ARG 336 HD3 ARG 336 -0.930 5.349 11.441 83 HD3 ARG 336 HD2 ARG 336 -1.984 3.950 11.636 84 HE ARG 336 HE ARG 336 0.736 4.162 12.517 85 HH11 ARG 336 HH21 ARG 336 -1.669 2.018 11.253 86 HH12 ARG 336 HH22 ARG 336 -0.978 0.599 11.967 87 HH21 ARG 336 HH11 ARG 336 1.649 2.305 13.453 88 HH22 ARG 336 HH12 ARG 336 0.901 0.762 13.211 89 H ILE 337 H ILE 337 -3.051 5.560 6.096 90 HA ILE 337 HA ILE 337 -0.626 7.211 5.824 91 HB ILE 337 HB ILE 337 -2.318 7.271 3.460 92 HG12 ILE 337 HG13 ILE 337 -0.956 4.674 4.243 93 HG13 ILE 337 HG12 ILE 337 -2.695 4.907 4.057 94 HG21 ILE 337 HG21 ILE 337 -0.003 8.199 3.756 95 HG22 ILE 337 HG22 ILE 337 -0.151 7.106 2.381 96 HG23 ILE 337 HG23 ILE 337 0.591 6.543 3.877 97 HD11 ILE 337 HD11 ILE 337 -1.655 5.883 1.677 98 HD12 ILE 337 HD12 ILE 337 -2.416 4.308 1.904 99 HD13 ILE 337 HD13 ILE 337 -0.662 4.466 2.012 100 HA PRO 338 HA PRO 338 -4.022 9.811 7.587 101 HB2 PRO 338 HB3 PRO 338 -1.626 11.592 7.779 102 HB3 PRO 338 HB2 PRO 338 -2.888 11.268 8.983 103 HG2 PRO 338 HG3 PRO 338 -0.476 10.182 9.199 104 HG3 PRO 338 HG2 PRO 338 -1.936 9.280 9.642 105 HD2 PRO 338 HD3 PRO 338 -0.190 8.977 7.243 106 HD3 PRO 338 HD2 PRO 338 -1.137 7.747 8.114 107 H VAL 339 H VAL 339 -5.312 10.817 6.168 108 HA VAL 339 HA VAL 339 -4.720 11.599 3.593 109 HB VAL 339 HB VAL 339 -6.658 13.359 4.085 110 HG11 VAL 339 HG11 VAL 339 -7.234 11.567 2.717 111 HG12 VAL 339 HG12 VAL 339 -8.228 11.236 4.136 112 HG13 VAL 339 HG13 VAL 339 -6.713 10.365 3.897 113 HG21 VAL 339 HG21 VAL 339 -7.227 11.412 6.294 114 HG22 VAL 339 HG22 VAL 339 -7.828 13.055 6.071 115 HG23 VAL 339 HG23 VAL 339 -6.178 12.789 6.633 116 H ALA 340 H ALA 340 -4.368 13.478 6.568 117 HA ALA 340 HA ALA 340 -3.866 15.999 5.530 118 HB1 ALA 340 HB1 ALA 340 -2.026 15.497 7.671 119 HB2 ALA 340 HB2 ALA 340 -3.558 14.699 8.030 120 HB3 ALA 340 HB3 ALA 340 -3.522 16.431 7.701 121 H ARG 341 H ARG 341 -2.173 13.176 4.896 122 HA ARG 341 HA ARG 341 0.371 14.550 4.389 123 HB2 ARG 341 HB3 ARG 341 0.115 12.217 5.520 124 HB3 ARG 341 HB2 ARG 341 -0.118 11.636 3.870 125 HG2 ARG 341 HG3 ARG 341 2.036 13.059 3.370 126 HG3 ARG 341 HG2 ARG 341 2.309 12.899 5.106 127 HD2 ARG 341 HD3 ARG 341 3.429 11.062 3.993 128 HD3 ARG 341 HD2 ARG 341 2.039 10.419 4.861 129 HE ARG 341 HE ARG 341 1.289 11.057 2.201 130 HH11 ARG 341 HH21 ARG 341 3.174 8.833 4.065 131 HH12 ARG 341 HH22 ARG 341 3.001 7.529 2.939 132 HH21 ARG 341 HH11 ARG 341 1.057 9.351 0.721 133 HH22 ARG 341 HH12 ARG 341 1.802 7.822 1.045 134 H ILE 342 H ILE 342 -1.795 12.303 2.660 135 HA ILE 342 HA ILE 342 -0.675 12.977 0.103 136 HB ILE 342 HB ILE 342 -3.268 11.536 0.702 137 HG12 ILE 342 HG13 ILE 342 -0.860 9.979 -0.004 138 HG13 ILE 342 HG12 ILE 342 -0.798 10.735 1.585 139 HG21 ILE 342 HG21 ILE 342 -1.647 10.761 -1.622 140 HG22 ILE 342 HG22 ILE 342 -2.255 12.408 -1.719 141 HG23 ILE 342 HG23 ILE 342 -3.379 11.067 -1.514 142 HD11 ILE 342 HD11 ILE 342 -1.851 8.380 1.413 143 HD12 ILE 342 HD12 ILE 342 -3.233 9.204 0.702 144 HD13 ILE 342 HD13 ILE 342 -2.714 9.606 2.342 145 H LEU 343 H LEU 343 -3.935 13.438 1.492 146 HA LEU 343 HA LEU 343 -4.766 15.228 -0.554 147 HB2 LEU 343 HB3 LEU 343 -5.830 14.467 2.150 148 HB3 LEU 343 HB2 LEU 343 -6.561 15.797 1.257 149 HG LEU 343 HG LEU 343 -7.670 13.579 0.841 150 HD11 LEU 343 HD11 LEU 343 -7.092 15.570 -0.975 151 HD12 LEU 343 HD12 LEU 343 -8.176 14.215 -1.281 152 HD13 LEU 343 HD13 LEU 343 -6.493 14.134 -1.802 153 HD21 LEU 343 HD21 LEU 343 -5.413 12.364 0.997 154 HD22 LEU 343 HD22 LEU 343 -5.154 12.869 -0.673 155 HD23 LEU 343 HD23 LEU 343 -6.514 11.822 -0.267 156 H GLY 344 H GLY 344 -3.886 15.804 2.854 157 HA2 GLY 344 HA3 GLY 344 -2.478 17.602 3.550 158 HA3 GLY 344 HA2 GLY 344 -2.902 18.465 2.074 159 H ASP 345 H ASP 345 -4.559 19.890 2.111 160 HA ASP 345 HA ASP 345 -6.672 19.757 4.066 161 HB2 ASP 345 HB3 ASP 345 -6.170 21.828 5.221 162 HB3 ASP 345 HB2 ASP 345 -4.808 20.724 5.399 163 HA PRO 346 HA PRO 346 -7.448 22.141 0.127 164 HB2 PRO 346 HB3 PRO 346 -9.257 20.417 -0.980 165 HB3 PRO 346 HB2 PRO 346 -7.508 20.290 -1.240 166 HG2 PRO 346 HG3 PRO 346 -9.279 18.695 0.517 167 HG3 PRO 346 HG2 PRO 346 -7.828 18.210 -0.371 168 HD2 PRO 346 HD3 PRO 346 -7.913 18.762 2.358 169 HD3 PRO 346 HD2 PRO 346 -6.442 18.760 1.364 170 H GLU 347 H GLU 347 -9.142 23.573 -0.093 171 HA GLU 347 HA GLU 347 -11.629 23.036 1.389 172 HB2 GLU 347 HB3 GLU 347 -10.082 25.631 1.558 173 HB3 GLU 347 HB2 GLU 347 -11.613 25.270 2.356 174 HG2 GLU 347 HG3 GLU 347 -10.231 23.200 3.296 175 HG3 GLU 347 HG2 GLU 347 -8.864 24.270 2.983 176 H GLU 348 H GLU 348 -11.222 22.812 -1.377 177 HA GLU 348 HA GLU 348 -12.096 25.250 -2.663 178 HB2 GLU 348 HB3 GLU 348 -11.612 22.431 -3.609 179 HB3 GLU 348 HB2 GLU 348 -12.336 23.650 -4.659 180 HG2 GLU 348 HG3 GLU 348 -9.918 24.539 -3.215 181 HG3 GLU 348 HG2 GLU 348 -9.644 23.264 -4.400 182 H GLU 349 H GLU 349 -13.625 23.000 -0.793 183 HA GLU 349 HA GLU 349 -16.076 22.722 -2.292 184 HB2 GLU 349 HB3 GLU 349 -15.142 21.930 0.445 185 HB3 GLU 349 HB2 GLU 349 -16.865 21.906 0.070 186 HG2 GLU 349 HG3 GLU 349 -15.741 19.714 -0.366 187 HG3 GLU 349 HG2 GLU 349 -16.487 20.405 -1.805 188 H1 MET 499 H1 MET 499 -4.389 -18.603 -0.337 189 H2 MET 499 H2 MET 499 -4.882 -18.532 -1.961 190 H3 MET 499 H3 MET 499 -4.029 -17.235 -1.272 191 HA MET 499 HA MET 499 -3.051 -19.834 -2.197 192 HB2 MET 499 HB3 MET 499 -2.654 -17.021 -2.738 193 HB3 MET 499 HB2 MET 499 -1.118 -17.782 -2.325 194 HG2 MET 499 HG3 MET 499 -1.517 -17.963 -4.738 195 HG3 MET 499 HG2 MET 499 -1.573 -19.562 -3.997 196 HE1 MET 499 HE1 MET 499 -4.894 -17.142 -5.943 197 HE2 MET 499 HE2 MET 499 -3.173 -17.176 -6.322 198 HE3 MET 499 HE3 MET 499 -3.724 -16.442 -4.817 199 H ASP 500 H ASP 500 -0.508 -19.870 -1.620 200 HA ASP 500 HA ASP 500 -0.400 -20.462 1.178 201 HB2 ASP 500 HB3 ASP 500 1.297 -20.842 -1.172 202 HB3 ASP 500 HB2 ASP 500 2.217 -20.461 0.282 203 H LYS 501 H LYS 501 1.759 -19.666 2.328 204 HA LYS 501 HA LYS 501 1.376 -16.984 3.026 205 HB2 LYS 501 HB3 LYS 501 4.037 -18.362 3.308 206 HB3 LYS 501 HB2 LYS 501 3.266 -17.209 4.399 207 HG2 LYS 501 HG3 LYS 501 1.388 -19.073 4.518 208 HG3 LYS 501 HG2 LYS 501 2.716 -20.129 4.032 209 HD2 LYS 501 HD3 LYS 501 4.071 -19.185 5.929 210 HD3 LYS 501 HD2 LYS 501 2.628 -18.318 6.460 211 HE2 LYS 501 HE3 LYS 501 2.952 -21.323 6.221 212 HE3 LYS 501 HE2 LYS 501 2.776 -20.395 7.710 213 HZ1 LYS 501 HZ1 LYS 501 0.595 -19.611 6.735 214 HZ2 LYS 501 HZ2 LYS 501 0.658 -21.230 7.245 215 HZ3 LYS 501 HZ3 LYS 501 0.763 -20.853 5.592 216 H ALA 502 H ALA 502 3.323 -18.441 0.516 217 HA ALA 502 HA ALA 502 5.214 -16.601 -0.118 218 HB1 ALA 502 HB1 ALA 502 4.666 -17.124 -2.559 219 HB2 ALA 502 HB2 ALA 502 3.344 -18.115 -1.940 220 HB3 ALA 502 HB3 ALA 502 5.012 -18.507 -1.520 221 H TYR 503 H TYR 503 1.919 -16.447 -1.492 222 HA TYR 503 HA TYR 503 2.039 -14.000 -2.711 223 HB2 TYR 503 HB3 TYR 503 0.044 -15.253 -2.972 224 HB3 TYR 503 HB2 TYR 503 -0.228 -15.329 -1.231 225 HD1 TYR 503 HD1 TYR 503 0.484 -12.598 -3.722 226 HD2 TYR 503 HD2 TYR 503 -2.011 -14.005 -0.517 227 HE1 TYR 503 HE1 TYR 503 -0.842 -10.508 -3.835 228 HE2 TYR 503 HE2 TYR 503 -3.337 -11.914 -0.636 229 HH TYR 503 HH TYR 503 -3.798 -10.142 -2.603 230 H LEU 504 H LEU 504 1.306 -14.620 0.714 231 HA LEU 504 HA LEU 504 0.944 -11.886 1.415 232 HB2 LEU 504 HB3 LEU 504 1.173 -14.466 2.833 233 HB3 LEU 504 HB2 LEU 504 1.686 -13.051 3.755 234 HG LEU 504 HG LEU 504 -0.455 -11.947 3.300 235 HD11 LEU 504 HD11 LEU 504 -2.220 -13.692 2.295 236 HD12 LEU 504 HD12 LEU 504 -0.772 -14.302 1.493 237 HD13 LEU 504 HD13 LEU 504 -1.273 -12.628 1.253 238 HD21 LEU 504 HD21 LEU 504 -0.359 -13.355 5.286 239 HD22 LEU 504 HD22 LEU 504 -0.714 -14.791 4.327 240 HD23 LEU 504 HD23 LEU 504 -1.943 -13.545 4.536 241 H ASP 505 H ASP 505 3.726 -14.062 1.437 242 HA ASP 505 HA ASP 505 5.543 -12.477 2.845 243 HB2 ASP 505 HB3 ASP 505 5.672 -14.913 1.669 244 HB3 ASP 505 HB2 ASP 505 6.605 -13.960 0.514 245 H GLU 506 H GLU 506 4.827 -12.567 -0.637 246 HA GLU 506 HA GLU 506 6.705 -10.652 -1.458 247 HB2 GLU 506 HB3 GLU 506 4.013 -11.420 -2.602 248 HB3 GLU 506 HB2 GLU 506 5.129 -10.316 -3.404 249 HG2 GLU 506 HG3 GLU 506 6.805 -12.004 -3.612 250 HG3 GLU 506 HG2 GLU 506 5.952 -13.083 -2.509 251 H LEU 507 H LEU 507 3.308 -10.276 -0.471 252 HA LEU 507 HA LEU 507 3.030 -7.539 -0.895 253 HB2 LEU 507 HB3 LEU 507 1.744 -9.543 0.882 254 HB3 LEU 507 HB2 LEU 507 1.486 -7.844 1.280 255 HG LEU 507 HG LEU 507 1.081 -8.974 -1.515 256 HD11 LEU 507 HD11 LEU 507 -0.561 -10.126 -0.324 257 HD12 LEU 507 HD12 LEU 507 -1.413 -8.663 -0.818 258 HD13 LEU 507 HD13 LEU 507 -0.796 -8.812 0.828 259 HD21 LEU 507 HD21 LEU 507 1.091 -6.327 -0.406 260 HD22 LEU 507 HD22 LEU 507 -0.555 -6.716 -0.901 261 HD23 LEU 507 HD23 LEU 507 0.763 -6.818 -2.067 262 H VAL 508 H VAL 508 4.038 -9.215 2.083 263 HA VAL 508 HA VAL 508 4.517 -6.922 3.621 264 HB VAL 508 HB VAL 508 5.988 -9.564 3.784 265 HG11 VAL 508 HG11 VAL 508 5.371 -8.301 6.294 266 HG12 VAL 508 HG12 VAL 508 6.203 -7.143 5.257 267 HG13 VAL 508 HG13 VAL 508 6.953 -8.697 5.623 268 HG21 VAL 508 HG21 VAL 508 3.194 -8.900 4.179 269 HG22 VAL 508 HG22 VAL 508 3.924 -9.418 5.701 270 HG23 VAL 508 HG23 VAL 508 3.987 -10.472 4.291 271 H GLU 509 H GLU 509 6.875 -8.928 1.858 272 HA GLU 509 HA GLU 509 9.122 -7.350 2.280 273 HB2 GLU 509 HB3 GLU 509 8.354 -9.083 -0.074 274 HB3 GLU 509 HB2 GLU 509 9.941 -8.334 0.093 275 HG2 GLU 509 HG3 GLU 509 10.135 -9.450 2.353 276 HG3 GLU 509 HG2 GLU 509 8.653 -10.327 1.977 277 H LEU 510 H LEU 510 6.675 -7.113 -0.284 278 HA LEU 510 HA LEU 510 7.874 -5.059 -1.768 279 HB2 LEU 510 HB3 LEU 510 5.990 -6.396 -2.602 280 HB3 LEU 510 HB2 LEU 510 4.933 -5.674 -1.389 281 HG LEU 510 HG LEU 510 6.400 -3.672 -2.926 282 HD11 LEU 510 HD11 LEU 510 6.237 -5.189 -4.776 283 HD12 LEU 510 HD12 LEU 510 4.933 -4.018 -4.975 284 HD13 LEU 510 HD13 LEU 510 4.583 -5.630 -4.349 285 HD21 LEU 510 HD21 LEU 510 3.450 -4.213 -2.458 286 HD22 LEU 510 HD22 LEU 510 4.121 -2.726 -3.127 287 HD23 LEU 510 HD23 LEU 510 4.479 -3.183 -1.462 288 H HIS 511 H HIS 511 5.312 -4.857 0.720 289 HA HIS 511 HA HIS 511 5.193 -2.043 0.788 290 HB2 HIS 511 HB3 HIS 511 3.913 -4.185 2.088 291 HB3 HIS 511 HB2 HIS 511 4.623 -3.202 3.367 292 HD1 HIS 511 HD1 HIS 511 3.228 -1.965 0.051 293 HD2 HIS 511 HD2 HIS 511 2.422 -1.690 4.131 294 HE1 HIS 511 HE1 HIS 511 1.364 -0.268 0.299 295 HE2 HIS 511 HE2 HIS 511 0.862 -0.088 2.781 296 H ARG 512 H ARG 512 7.231 -4.356 2.482 297 HA ARG 512 HA ARG 512 8.301 -2.673 4.443 298 HB2 ARG 512 HB3 ARG 512 9.410 -5.073 2.994 299 HB3 ARG 512 HB2 ARG 512 10.335 -4.231 4.237 300 HG2 ARG 512 HG3 ARG 512 7.507 -4.998 4.847 301 HG3 ARG 512 HG2 ARG 512 8.741 -6.258 4.871 302 HD2 ARG 512 HD3 ARG 512 9.892 -5.287 6.642 303 HD3 ARG 512 HD2 ARG 512 9.278 -3.675 6.298 304 HE ARG 512 HE ARG 512 7.156 -5.418 7.066 305 HH11 ARG 512 HH21 ARG 512 9.871 -3.631 8.247 306 HH12 ARG 512 HH22 ARG 512 9.216 -3.418 9.836 307 HH21 ARG 512 HH11 ARG 512 6.288 -5.144 9.147 308 HH22 ARG 512 HH12 ARG 512 7.186 -4.274 10.346 309 H ARG 513 H ARG 513 9.381 -3.276 1.111 310 HA ARG 513 HA ARG 513 11.643 -1.546 1.261 311 HB2 ARG 513 HB3 ARG 513 10.088 -2.713 -1.048 312 HB3 ARG 513 HB2 ARG 513 11.497 -1.676 -1.278 313 HG2 ARG 513 HG3 ARG 513 12.864 -3.224 0.072 314 HG3 ARG 513 HG2 ARG 513 11.458 -4.262 0.309 315 HD2 ARG 513 HD3 ARG 513 12.166 -5.338 -1.554 316 HD3 ARG 513 HD2 ARG 513 11.499 -3.963 -2.429 317 HE ARG 513 HE ARG 513 13.675 -3.213 -2.825 318 HH11 ARG 513 HH21 ARG 513 13.598 -5.765 -0.490 319 HH12 ARG 513 HH22 ARG 513 15.314 -5.997 -0.482 320 HH21 ARG 513 HH11 ARG 513 15.927 -3.510 -2.821 321 HH22 ARG 513 HH12 ARG 513 16.632 -4.719 -1.801 322 H LEU 514 H LEU 514 8.323 -1.143 0.067 323 HA LEU 514 HA LEU 514 8.513 1.377 -1.060 324 HB2 LEU 514 HB3 LEU 514 6.496 -0.179 -1.005 325 HB3 LEU 514 HB2 LEU 514 6.163 0.465 0.603 326 HG LEU 514 HG LEU 514 6.628 2.740 -0.904 327 HD11 LEU 514 HD11 LEU 514 4.970 0.787 -2.530 328 HD12 LEU 514 HD12 LEU 514 6.576 1.374 -2.969 329 HD13 LEU 514 HD13 LEU 514 5.214 2.494 -2.904 330 HD21 LEU 514 HD21 LEU 514 4.859 2.396 0.797 331 HD22 LEU 514 HD22 LEU 514 3.975 1.377 -0.339 332 HD23 LEU 514 HD23 LEU 514 4.200 3.093 -0.682 333 H MET 515 H MET 515 8.154 0.463 2.336 334 HA MET 515 HA MET 515 7.705 3.042 3.387 335 HB2 MET 515 HB3 MET 515 9.106 0.707 4.712 336 HB3 MET 515 HB2 MET 515 8.370 2.086 5.528 337 HG2 MET 515 HG3 MET 515 6.421 0.989 3.754 338 HG3 MET 515 HG2 MET 515 7.113 -0.340 4.684 339 HE1 MET 515 HE1 MET 515 6.388 0.230 8.238 340 HE2 MET 515 HE2 MET 515 7.590 -0.275 7.054 341 HE3 MET 515 HE3 MET 515 5.976 -0.977 7.013 342 H THR 516 H THR 516 10.377 1.838 1.786 343 HA THR 516 HA THR 516 12.290 3.531 3.245 344 HB THR 516 HB THR 516 12.909 1.687 0.938 345 HG1 THR 516 HG1 THR 516 12.306 1.154 3.592 346 HG21 THR 516 HG21 THR 516 15.143 1.758 1.823 347 HG22 THR 516 HG22 THR 516 14.599 2.585 3.283 348 HG23 THR 516 HG23 THR 516 14.572 3.424 1.731 349 H LEU 517 H LEU 517 10.488 3.318 0.286 350 HA LEU 517 HA LEU 517 11.980 4.907 -1.434 351 HB2 LEU 517 HB3 LEU 517 9.304 3.911 -1.305 352 HB3 LEU 517 HB2 LEU 517 9.240 5.618 -1.743 353 HG LEU 517 HG LEU 517 10.965 5.176 -3.505 354 HD11 LEU 517 HD11 LEU 517 11.124 2.684 -2.116 355 HD12 LEU 517 HD12 LEU 517 12.085 3.225 -3.491 356 HD13 LEU 517 HD13 LEU 517 10.573 2.356 -3.759 357 HD21 LEU 517 HD21 LEU 517 8.243 3.957 -3.461 358 HD22 LEU 517 HD22 LEU 517 9.292 3.541 -4.816 359 HD23 LEU 517 HD23 LEU 517 8.887 5.227 -4.501 360 H ARG 518 H ARG 518 11.595 7.171 -2.063 361 HA ARG 518 HA ARG 518 10.844 8.886 0.225 362 HB2 ARG 518 HB3 ARG 518 13.212 9.288 -1.618 363 HB3 ARG 518 HB2 ARG 518 12.713 10.377 -0.323 364 HG2 ARG 518 HG3 ARG 518 13.003 8.491 1.302 365 HG3 ARG 518 HG2 ARG 518 13.645 7.508 -0.015 366 HD2 ARG 518 HD3 ARG 518 15.575 8.408 1.001 367 HD3 ARG 518 HD2 ARG 518 15.307 9.453 -0.391 368 HE ARG 518 HE ARG 518 14.873 11.195 1.077 369 HH11 ARG 518 HH21 ARG 518 14.646 8.138 2.682 370 HH12 ARG 518 HH22 ARG 518 14.463 8.825 4.261 371 HH21 ARG 518 HH11 ARG 518 14.634 12.104 3.146 372 HH22 ARG 518 HH12 ARG 518 14.456 11.070 4.524 373 H GLU 519 H GLU 519 9.931 7.983 -2.710 374 HA GLU 519 HA GLU 519 9.463 10.647 -3.836 375 HB2 GLU 519 HB3 GLU 519 9.230 7.842 -4.850 376 HB3 GLU 519 HB2 GLU 519 8.282 9.112 -5.624 377 HG2 GLU 519 HG3 GLU 519 10.569 8.713 -6.644 378 HG3 GLU 519 HG2 GLU 519 10.251 10.377 -6.153 379 H ARG 520 H ARG 520 7.844 11.668 -2.787 380 HA ARG 520 HA ARG 520 5.577 10.350 -1.666 381 HB2 ARG 520 HB3 ARG 520 6.455 13.161 -2.078 382 HB3 ARG 520 HB2 ARG 520 4.725 12.890 -1.859 383 HG2 ARG 520 HG3 ARG 520 5.063 11.837 0.261 384 HG3 ARG 520 HG2 ARG 520 6.803 11.718 0.001 385 HD2 ARG 520 HD3 ARG 520 5.435 14.400 0.016 386 HD3 ARG 520 HD2 ARG 520 5.910 13.629 1.526 387 HE ARG 520 HE ARG 520 8.079 13.668 -0.336 388 HH11 ARG 520 HH21 ARG 520 6.224 15.598 1.858 389 HH12 ARG 520 HH22 ARG 520 7.511 16.711 2.184 390 HH21 ARG 520 HH11 ARG 520 9.770 15.123 0.085 391 HH22 ARG 520 HH12 ARG 520 9.519 16.441 1.179 392 H HIS 521 H HIS 521 6.258 11.847 -4.764 393 HA HIS 521 HA HIS 521 3.659 12.140 -5.750 394 HB2 HIS 521 HB3 HIS 521 6.282 12.354 -6.769 395 HB3 HIS 521 HB2 HIS 521 5.433 11.229 -7.829 396 HD1 HIS 521 HD1 HIS 521 3.967 14.230 -6.007 397 HD2 HIS 521 HD2 HIS 521 4.666 12.921 -9.902 398 HE1 HIS 521 HE1 HIS 521 2.865 15.918 -7.538 399 HE2 HIS 521 HE2 HIS 521 3.285 15.136 -9.918 400 H ILE 522 H ILE 522 5.882 9.374 -6.149 401 HA ILE 522 HA ILE 522 4.170 7.687 -7.553 402 HB ILE 522 HB ILE 522 6.422 7.169 -5.627 403 HG12 ILE 522 HG13 ILE 522 6.154 6.455 -8.555 404 HG13 ILE 522 HG12 ILE 522 6.698 8.050 -8.034 405 HG21 ILE 522 HG21 ILE 522 4.532 5.205 -6.912 406 HG22 ILE 522 HG22 ILE 522 5.156 5.220 -5.261 407 HG23 ILE 522 HG23 ILE 522 6.210 4.756 -6.598 408 HD11 ILE 522 HD11 ILE 522 8.716 7.270 -7.302 409 HD12 ILE 522 HD12 ILE 522 8.384 5.962 -8.437 410 HD13 ILE 522 HD13 ILE 522 8.032 5.750 -6.722 411 H LEU 523 H LEU 523 4.339 8.400 -4.117 412 HA LEU 523 HA LEU 523 2.649 6.298 -3.229 413 HB2 LEU 523 HB3 LEU 523 3.912 8.653 -2.088 414 HB3 LEU 523 HB2 LEU 523 2.284 8.412 -1.453 415 HG LEU 523 HG LEU 523 2.834 6.077 -0.897 416 HD11 LEU 523 HD11 LEU 523 5.579 5.890 -1.027 417 HD12 LEU 523 HD12 LEU 523 5.195 6.735 -2.526 418 HD13 LEU 523 HD13 LEU 523 4.465 5.165 -2.186 419 HD21 LEU 523 HD21 LEU 523 3.976 8.426 0.289 420 HD22 LEU 523 HD22 LEU 523 5.134 7.105 0.440 421 HD23 LEU 523 HD23 LEU 523 3.501 6.924 1.081 422 H GLN 524 H GLN 524 2.013 9.682 -4.111 423 HA GLN 524 HA GLN 524 -0.714 9.762 -3.512 424 HB2 GLN 524 HB3 GLN 524 0.873 11.195 -5.650 425 HB3 GLN 524 HB2 GLN 524 -0.804 11.575 -5.254 426 HG2 GLN 524 HG3 GLN 524 -0.218 12.183 -2.999 427 HG3 GLN 524 HG2 GLN 524 1.422 11.568 -3.201 428 HE21 GLN 524 HE21 GLN 524 0.666 14.348 -2.501 429 HE22 GLN 524 HE22 GLN 524 1.281 15.330 -3.741 430 H GLN 525 H GLN 525 0.967 8.606 -6.399 431 HA GLN 525 HA GLN 525 -1.330 8.223 -8.014 432 HB2 GLN 525 HB3 GLN 525 1.309 6.739 -8.082 433 HB3 GLN 525 HB2 GLN 525 0.117 6.799 -9.380 434 HG2 GLN 525 HG3 GLN 525 0.662 9.483 -8.586 435 HG3 GLN 525 HG2 GLN 525 2.209 8.669 -8.809 436 HE21 GLN 525 HE21 GLN 525 2.724 7.852 -10.962 437 HE22 GLN 525 HE22 GLN 525 1.828 8.330 -12.322 438 H ILE 526 H ILE 526 0.430 6.065 -5.805 439 HA ILE 526 HA ILE 526 -0.959 3.696 -6.300 440 HB ILE 526 HB ILE 526 0.255 4.770 -3.752 441 HG12 ILE 526 HG13 ILE 526 1.253 2.595 -5.613 442 HG13 ILE 526 HG12 ILE 526 1.680 4.292 -5.837 443 HG21 ILE 526 HG21 ILE 526 -1.104 3.121 -2.865 444 HG22 ILE 526 HG22 ILE 526 0.270 2.130 -3.356 445 HG23 ILE 526 HG23 ILE 526 -1.165 2.214 -4.377 446 HD11 ILE 526 HD11 ILE 526 3.176 4.229 -4.157 447 HD12 ILE 526 HD12 ILE 526 2.997 2.476 -4.186 448 HD13 ILE 526 HD13 ILE 526 2.030 3.444 -3.071 449 H VAL 527 H VAL 527 -1.740 6.380 -4.126 450 HA VAL 527 HA VAL 527 -3.884 5.375 -2.731 451 HB VAL 527 HB VAL 527 -3.690 8.129 -3.975 452 HG11 VAL 527 HG11 VAL 527 -5.953 7.713 -3.224 453 HG12 VAL 527 HG12 VAL 527 -5.161 8.741 -2.030 454 HG13 VAL 527 HG13 VAL 527 -5.367 7.019 -1.711 455 HG21 VAL 527 HG21 VAL 527 -1.764 7.791 -2.615 456 HG22 VAL 527 HG22 VAL 527 -2.686 6.915 -1.396 457 HG23 VAL 527 HG23 VAL 527 -2.903 8.655 -1.587 458 H ASN 528 H ASN 528 -3.861 6.582 -6.063 459 HA ASN 528 HA ASN 528 -6.667 6.281 -6.488 460 HB2 ASN 528 HB3 ASN 528 -5.877 7.645 -8.130 461 HB3 ASN 528 HB2 ASN 528 -4.284 6.891 -8.131 462 HD21 ASN 528 HD21 ASN 528 -7.661 5.842 -8.905 463 HD22 ASN 528 HD22 ASN 528 -7.228 5.049 -10.342 464 H LEU 529 H LEU 529 -3.836 4.251 -7.206 465 HA LEU 529 HA LEU 529 -5.101 2.206 -8.598 466 HB2 LEU 529 HB3 LEU 529 -2.706 2.227 -8.402 467 HB3 LEU 529 HB2 LEU 529 -2.791 2.112 -6.647 468 HG LEU 529 HG LEU 529 -3.776 -0.122 -6.813 469 HD11 LEU 529 HD11 LEU 529 -3.623 -1.110 -9.251 470 HD12 LEU 529 HD12 LEU 529 -3.803 0.583 -9.724 471 HD13 LEU 529 HD13 LEU 529 -5.051 -0.200 -8.754 472 HD21 LEU 529 HD21 LEU 529 -1.817 -1.224 -8.099 473 HD22 LEU 529 HD22 LEU 529 -1.442 -0.235 -6.691 474 HD23 LEU 529 HD23 LEU 529 -1.228 0.424 -8.310 475 H ILE 530 H ILE 530 -4.883 2.780 -5.121 476 HA ILE 530 HA ILE 530 -6.069 0.332 -4.317 477 HB ILE 530 HB ILE 530 -5.998 2.998 -2.885 478 HG12 ILE 530 HG13 ILE 530 -3.811 1.700 -3.640 479 HG13 ILE 530 HG12 ILE 530 -3.924 2.395 -2.026 480 HG21 ILE 530 HG21 ILE 530 -6.748 0.205 -2.032 481 HG22 ILE 530 HG22 ILE 530 -7.627 1.711 -1.774 482 HG23 ILE 530 HG23 ILE 530 -6.153 1.387 -0.866 483 HD11 ILE 530 HD11 ILE 530 -4.358 0.303 -1.029 484 HD12 ILE 530 HD12 ILE 530 -3.114 -0.054 -2.222 485 HD13 ILE 530 HD13 ILE 530 -4.797 -0.444 -2.559 486 H GLU 531 H GLU 531 -7.411 3.592 -4.762 487 HA GLU 531 HA GLU 531 -10.050 3.015 -4.047 488 HB2 GLU 531 HB3 GLU 531 -8.781 5.068 -5.823 489 HB3 GLU 531 HB2 GLU 531 -10.538 4.940 -5.744 490 HG2 GLU 531 HG3 GLU 531 -8.983 4.996 -3.185 491 HG3 GLU 531 HG2 GLU 531 -9.234 6.507 -4.055 492 H GLU 532 H GLU 532 -8.259 2.304 -6.939 493 HA GLU 532 HA GLU 532 -10.415 1.850 -8.713 494 HB2 GLU 532 HB3 GLU 532 -7.781 1.915 -9.074 495 HB3 GLU 532 HB2 GLU 532 -7.958 0.168 -8.896 496 HG2 GLU 532 HG3 GLU 532 -8.222 0.562 -11.221 497 HG3 GLU 532 HG2 GLU 532 -9.862 0.353 -10.612 498 H THR 533 H THR 533 -8.543 -0.448 -6.720 499 HA THR 533 HA THR 533 -10.263 -2.656 -7.341 500 HB THR 533 HB THR 533 -7.976 -3.137 -6.757 501 HG1 THR 533 HG1 THR 533 -8.368 -4.671 -5.248 502 HG21 THR 533 HG21 THR 533 -7.171 -2.607 -4.426 503 HG22 THR 533 HG22 THR 533 -8.623 -1.631 -4.210 504 HG23 THR 533 HG23 THR 533 -7.438 -1.190 -5.440 505 H GLY 534 H GLY 534 -10.940 0.025 -5.665 506 HA2 GLY 534 HA3 GLY 534 -12.299 0.572 -3.867 507 HA3 GLY 534 HA2 GLY 534 -13.327 -0.662 -4.586 508 H HIS 535 H HIS 535 -10.179 -1.406 -3.262 509 HA HIS 535 HA HIS 535 -11.492 -2.831 -1.021 510 HB2 HIS 535 HB3 HIS 535 -9.510 -3.688 -3.007 511 HB3 HIS 535 HB2 HIS 535 -9.062 -4.067 -1.342 512 HD1 HIS 535 HD1 HIS 535 -12.093 -4.425 -3.637 513 HD2 HIS 535 HD2 HIS 535 -10.339 -6.311 -0.360 514 HE1 HIS 535 HE1 HIS 535 -13.458 -6.513 -3.198 515 HE2 HIS 535 HE2 HIS 535 -12.402 -7.673 -1.203 516 H PHE 536 H PHE 536 -11.236 -1.393 0.628 517 HA PHE 536 HA PHE 536 -8.700 -1.191 1.881 518 HB2 PHE 536 HB3 PHE 536 -8.352 1.242 1.674 519 HB3 PHE 536 HB2 PHE 536 -8.245 0.442 0.107 520 HD1 PHE 536 HD1 PHE 536 -10.456 2.463 2.312 521 HD2 PHE 536 HD2 PHE 536 -9.819 0.901 -1.641 522 HE1 PHE 536 HE1 PHE 536 -12.283 3.898 1.448 523 HE2 PHE 536 HE2 PHE 536 -11.642 2.344 -2.498 524 HZ PHE 536 HZ PHE 536 -12.873 3.842 -0.957 525 H HIS 537 H HIS 537 -8.902 0.843 3.561 526 HA HIS 537 HA HIS 537 -11.652 0.882 4.612 527 HB2 HIS 537 HB3 HIS 537 -9.513 -0.631 5.718 528 HB3 HIS 537 HB2 HIS 537 -9.811 0.730 6.801 529 HD1 HIS 537 HD1 HIS 537 -11.570 -2.226 5.220 530 HD2 HIS 537 HD2 HIS 537 -12.241 0.604 8.209 531 HE1 HIS 537 HE1 HIS 537 -13.663 -2.958 6.443 532 HE2 HIS 537 HE2 HIS 537 -14.086 -1.244 8.268 533 H ILE 538 H ILE 538 -12.007 3.034 4.274 534 HA ILE 538 HA ILE 538 -9.969 4.975 5.063 535 HB ILE 538 HB ILE 538 -11.133 5.273 2.916 536 HG12 ILE 538 HG13 ILE 538 -12.326 7.533 4.303 537 HG13 ILE 538 HG12 ILE 538 -10.703 7.190 4.907 538 HG21 ILE 538 HG21 ILE 538 -13.630 5.855 4.507 539 HG22 ILE 538 HG22 ILE 538 -13.300 4.240 3.880 540 HG23 ILE 538 HG23 ILE 538 -13.473 5.599 2.769 541 HD11 ILE 538 HD11 ILE 538 -9.808 7.243 2.640 542 HD12 ILE 538 HD12 ILE 538 -10.685 8.743 2.956 543 HD13 ILE 538 HD13 ILE 538 -11.426 7.473 1.979 544 H THR 539 H THR 539 -10.065 6.193 6.846 545 HA THR 539 HA THR 539 -12.321 5.756 8.678 546 HB THR 539 HB THR 539 -10.102 7.368 9.683 547 HG1 THR 539 HG1 THR 539 -8.828 5.283 9.743 548 HG21 THR 539 HG21 THR 539 -11.296 4.704 10.503 549 HG22 THR 539 HG22 THR 539 -11.817 6.286 11.084 550 HG23 THR 539 HG23 THR 539 -10.207 5.686 11.482 551 H ASN 540 H ASN 540 -13.328 7.531 9.742 552 HA ASN 540 HA ASN 540 -13.925 9.720 8.039 553 HB2 ASN 540 HB3 ASN 540 -15.229 8.611 10.084 554 HB3 ASN 540 HB2 ASN 540 -14.448 9.924 10.964 555 HD21 ASN 540 HD21 ASN 540 -15.007 12.147 10.343 556 HD22 ASN 540 HD22 ASN 540 -16.395 12.471 9.419 557 H THR 541 H THR 541 -11.272 9.140 10.019 558 HA THR 541 HA THR 541 -10.490 11.969 9.855 559 HB THR 541 HB THR 541 -9.677 11.981 12.140 560 HG1 THR 541 HG1 THR 541 -10.257 9.282 11.902 561 HG21 THR 541 HG21 THR 541 -12.101 12.502 11.652 562 HG22 THR 541 HG22 THR 541 -11.783 11.976 13.304 563 HG23 THR 541 HG23 THR 541 -12.484 10.851 12.141 564 H THR 542 H THR 542 -9.840 9.122 8.734 565 HA THR 542 HA THR 542 -7.053 9.618 8.322 566 HB THR 542 HB THR 542 -7.391 6.995 9.659 567 HG1 THR 542 HG1 THR 542 -8.129 7.867 11.404 568 HG21 THR 542 HG21 THR 542 -5.135 7.323 10.211 569 HG22 THR 542 HG22 THR 542 -5.274 9.079 10.126 570 HG23 THR 542 HG23 THR 542 -5.273 8.126 8.647 571 H PHE 543 H PHE 543 -6.038 7.765 7.074 572 HA PHE 543 HA PHE 543 -8.055 6.227 5.575 573 HB2 PHE 543 HB3 PHE 543 -7.611 8.029 4.109 574 HB3 PHE 543 HB2 PHE 543 -5.887 8.014 4.486 575 HD1 PHE 543 HD1 PHE 543 -8.440 5.484 3.386 576 HD2 PHE 543 HD2 PHE 543 -4.551 7.194 2.765 577 HE1 PHE 543 HE1 PHE 543 -8.043 3.906 1.518 578 HE2 PHE 543 HE2 PHE 543 -4.154 5.620 0.894 579 HZ PHE 543 HZ PHE 543 -5.901 3.972 0.271 580 H ASP 544 H ASP 544 -7.590 4.149 5.953 581 HA ASP 544 HA ASP 544 -4.764 3.293 5.799 582 HB2 ASP 544 HB3 ASP 544 -4.955 1.941 7.678 583 HB3 ASP 544 HB2 ASP 544 -5.895 3.352 8.155 584 H PHE 545 H PHE 545 -4.566 0.927 5.355 585 HA PHE 545 HA PHE 545 -6.802 -0.432 4.157 586 HB2 PHE 545 HB3 PHE 545 -6.049 -0.443 1.883 587 HB3 PHE 545 HB2 PHE 545 -6.121 1.242 2.395 588 HD1 PHE 545 HD2 PHE 545 -3.877 2.142 3.538 589 HD2 PHE 545 HD1 PHE 545 -4.107 -1.182 0.827 590 HE1 PHE 545 HE2 PHE 545 -1.472 2.407 3.011 591 HE2 PHE 545 HE1 PHE 545 -1.709 -0.910 0.296 592 HZ PHE 545 HZ PHE 545 -0.384 0.880 1.388 593 H ASP 546 H ASP 546 -6.404 -2.601 3.855 594 HA ASP 546 HA ASP 546 -3.913 -3.581 5.032 595 HB2 ASP 546 HB3 ASP 546 -6.038 -5.451 4.152 596 HB3 ASP 546 HB2 ASP 546 -5.051 -5.475 5.609 597 H LEU 547 H LEU 547 -2.445 -4.841 3.993 598 HA LEU 547 HA LEU 547 -2.355 -4.667 1.122 599 HB2 LEU 547 HB3 LEU 547 -0.591 -5.873 3.232 600 HB3 LEU 547 HB2 LEU 547 -0.304 -6.228 1.534 601 HG LEU 547 HG LEU 547 0.989 -4.242 2.440 602 HD11 LEU 547 HD11 LEU 547 -0.357 -4.546 -0.033 603 HD12 LEU 547 HD12 LEU 547 1.070 -3.577 0.304 604 HD13 LEU 547 HD13 LEU 547 -0.532 -2.862 0.433 605 HD21 LEU 547 HD21 LEU 547 -0.158 -2.222 2.976 606 HD22 LEU 547 HD22 LEU 547 -1.026 -3.485 3.836 607 HD23 LEU 547 HD23 LEU 547 -1.682 -2.824 2.339 608 H CYS 548 H CYS 548 -3.002 -7.207 3.478 609 HA CYS 548 HA CYS 548 -3.139 -9.315 1.542 610 HB2 CYS 548 HB3 CYS 548 -3.341 -10.656 3.346 611 HB3 CYS 548 HB2 CYS 548 -2.999 -9.204 4.291 612 HG CYS 548 HG CYS 548 -5.971 -9.546 3.610 613 H SER 549 H SER 549 -5.008 -6.692 1.760 614 HA SER 549 HA SER 549 -7.558 -8.103 1.304 615 HB2 SER 549 HB3 SER 549 -7.803 -6.389 2.944 616 HB3 SER 549 HB2 SER 549 -6.906 -5.229 1.967 617 HG SER 549 HG SER 549 -8.599 -5.314 0.450 618 H LEU 550 H LEU 550 -5.134 -6.112 -0.206 619 HA LEU 550 HA LEU 550 -6.631 -5.329 -2.493 620 HB2 LEU 550 HB3 LEU 550 -3.638 -5.727 -2.347 621 HB3 LEU 550 HB2 LEU 550 -4.529 -4.649 -3.420 622 HG LEU 550 HG LEU 550 -4.272 -4.409 -0.406 623 HD11 LEU 550 HD11 LEU 550 -3.516 -2.404 -2.529 624 HD12 LEU 550 HD12 LEU 550 -2.391 -3.648 -1.988 625 HD13 LEU 550 HD13 LEU 550 -3.010 -2.461 -0.842 626 HD21 LEU 550 HD21 LEU 550 -5.546 -2.195 -0.957 627 HD22 LEU 550 HD22 LEU 550 -6.475 -3.689 -0.820 628 HD23 LEU 550 HD23 LEU 550 -6.064 -3.048 -2.411 629 H ASP 551 H ASP 551 -6.550 -6.159 -4.617 630 HA ASP 551 HA ASP 551 -6.317 -9.066 -4.711 631 HB2 ASP 551 HB3 ASP 551 -7.111 -7.314 -7.023 632 HB3 ASP 551 HB2 ASP 551 -7.593 -8.974 -6.675 633 H LYS 552 H LYS 552 -5.073 -10.179 -6.279 634 HA LYS 552 HA LYS 552 -2.448 -9.559 -6.552 635 HB2 LYS 552 HB3 LYS 552 -3.861 -10.814 -8.885 636 HB3 LYS 552 HB2 LYS 552 -2.288 -11.210 -8.196 637 HG2 LYS 552 HG3 LYS 552 -3.481 -12.925 -7.248 638 HG3 LYS 552 HG2 LYS 552 -3.829 -11.690 -6.040 639 HD2 LYS 552 HD3 LYS 552 -5.823 -11.094 -7.668 640 HD3 LYS 552 HD2 LYS 552 -5.590 -12.754 -8.219 641 HE2 LYS 552 HE3 LYS 552 -5.582 -13.289 -5.636 642 HE3 LYS 552 HE2 LYS 552 -6.444 -11.755 -5.524 643 HZ1 LYS 552 HZ1 LYS 552 -8.266 -12.840 -6.110 644 HZ2 LYS 552 HZ2 LYS 552 -7.399 -14.273 -6.389 645 HZ3 LYS 552 HZ3 LYS 552 -7.578 -13.129 -7.633 646 H THR 553 H THR 553 -5.044 -8.558 -8.752 647 HA THR 553 HA THR 553 -3.623 -7.366 -10.781 648 HB THR 553 HB THR 553 -6.152 -6.352 -9.460 649 HG1 THR 553 HG1 THR 553 -7.093 -7.842 -10.595 650 HG21 THR 553 HG21 THR 553 -4.719 -5.618 -12.007 651 HG22 THR 553 HG22 THR 553 -5.388 -4.553 -10.771 652 HG23 THR 553 HG23 THR 553 -6.466 -5.424 -11.861 653 H THR 554 H THR 554 -4.689 -5.759 -7.769 654 HA THR 554 HA THR 554 -3.331 -3.328 -8.262 655 HB THR 554 HB THR 554 -4.389 -4.644 -5.766 656 HG1 THR 554 HG1 THR 554 -5.171 -2.155 -6.702 657 HG21 THR 554 HG21 THR 554 -2.667 -3.407 -4.808 658 HG22 THR 554 HG22 THR 554 -3.972 -2.222 -4.839 659 HG23 THR 554 HG23 THR 554 -2.710 -2.177 -6.070 660 H VAL 555 H VAL 555 -2.425 -6.170 -6.306 661 HA VAL 555 HA VAL 555 0.022 -5.225 -5.348 662 HB VAL 555 HB VAL 555 -0.719 -8.061 -6.100 663 HG11 VAL 555 HG11 VAL 555 1.550 -6.825 -4.568 664 HG12 VAL 555 HG12 VAL 555 1.587 -8.137 -5.746 665 HG13 VAL 555 HG13 VAL 555 0.966 -8.429 -4.121 666 HG21 VAL 555 HG21 VAL 555 -2.302 -7.585 -4.493 667 HG22 VAL 555 HG22 VAL 555 -1.349 -6.282 -3.787 668 HG23 VAL 555 HG23 VAL 555 -0.950 -7.961 -3.422 669 H ARG 556 H ARG 556 -0.831 -6.559 -8.477 670 HA ARG 556 HA ARG 556 1.839 -6.979 -9.396 671 HB2 ARG 556 HB3 ARG 556 -0.821 -6.701 -10.791 672 HB3 ARG 556 HB2 ARG 556 0.684 -6.944 -11.677 673 HG2 ARG 556 HG3 ARG 556 0.139 -8.776 -9.387 674 HG3 ARG 556 HG2 ARG 556 -0.820 -9.003 -10.850 675 HD2 ARG 556 HD3 ARG 556 1.144 -9.308 -12.193 676 HD3 ARG 556 HD2 ARG 556 2.197 -8.787 -10.880 677 HE ARG 556 HE ARG 556 1.027 -11.415 -11.217 678 HH11 ARG 556 HH21 ARG 556 2.354 -9.080 -9.035 679 HH12 ARG 556 HH22 ARG 556 2.829 -10.252 -7.851 680 HH21 ARG 556 HH11 ARG 556 1.649 -12.957 -9.671 681 HH22 ARG 556 HH12 ARG 556 2.429 -12.448 -8.211 682 H LYS 557 H LYS 557 -0.515 -4.333 -9.820 683 HA LYS 557 HA LYS 557 1.078 -2.747 -11.516 684 HB2 LYS 557 HB3 LYS 557 -1.397 -2.472 -10.034 685 HB3 LYS 557 HB2 LYS 557 -0.452 -0.985 -9.982 686 HG2 LYS 557 HG3 LYS 557 -0.269 -0.962 -12.411 687 HG3 LYS 557 HG2 LYS 557 -1.099 -2.514 -12.516 688 HD2 LYS 557 HD3 LYS 557 -3.111 -1.501 -11.494 689 HD3 LYS 557 HD2 LYS 557 -2.283 0.054 -11.423 690 HE2 LYS 557 HE3 LYS 557 -3.143 0.432 -13.478 691 HE3 LYS 557 HE2 LYS 557 -1.937 -0.716 -14.061 692 HZ1 LYS 557 HZ1 LYS 557 -4.439 -1.096 -14.564 693 HZ2 LYS 557 HZ2 LYS 557 -4.481 -1.716 -12.982 694 HZ3 LYS 557 HZ3 LYS 557 -3.456 -2.412 -14.144 695 H LEU 558 H LEU 558 0.940 -3.067 -8.013 696 HA LEU 558 HA LEU 558 2.539 -0.811 -7.375 697 HB2 LEU 558 HB3 LEU 558 2.087 -3.413 -5.901 698 HB3 LEU 558 HB2 LEU 558 2.932 -2.028 -5.215 699 HG LEU 558 HG LEU 558 0.117 -1.917 -6.328 700 HD11 LEU 558 HD11 LEU 558 -0.376 -3.102 -4.449 701 HD12 LEU 558 HD12 LEU 558 -0.150 -1.553 -3.641 702 HD13 LEU 558 HD13 LEU 558 1.166 -2.726 -3.683 703 HD21 LEU 558 HD21 LEU 558 0.261 0.160 -4.641 704 HD22 LEU 558 HD22 LEU 558 0.785 0.301 -6.319 705 HD23 LEU 558 HD23 LEU 558 1.973 0.053 -5.043 706 H GLN 559 H GLN 559 3.344 -4.234 -7.894 707 HA GLN 559 HA GLN 559 6.069 -4.136 -7.349 708 HB2 GLN 559 HB3 GLN 559 4.389 -5.819 -9.179 709 HB3 GLN 559 HB2 GLN 559 6.145 -5.993 -9.180 710 HG2 GLN 559 HG3 GLN 559 6.133 -6.443 -6.775 711 HG3 GLN 559 HG2 GLN 559 4.389 -6.189 -6.716 712 HE21 GLN 559 HE21 GLN 559 4.045 -7.581 -9.394 713 HE22 GLN 559 HE22 GLN 559 4.210 -9.233 -9.044 714 H SER 560 H SER 560 4.304 -3.305 -10.296 715 HA SER 560 HA SER 560 6.629 -2.851 -11.895 716 HB2 SER 560 HB3 SER 560 3.728 -2.109 -12.151 717 HB3 SER 560 HB2 SER 560 4.923 -1.483 -13.283 718 HG SER 560 HG SER 560 5.150 -4.169 -12.762 719 H TYR 561 H TYR 561 4.528 -0.744 -9.963 720 HA TYR 561 HA TYR 561 5.474 1.742 -10.671 721 HB2 TYR 561 HB3 TYR 561 4.203 0.575 -8.296 722 HB3 TYR 561 HB2 TYR 561 5.191 1.992 -7.943 723 HD1 TYR 561 HD2 TYR 561 4.926 3.907 -9.884 724 HD2 TYR 561 HD1 TYR 561 1.960 1.013 -8.749 725 HE1 TYR 561 HE2 TYR 561 3.146 5.375 -10.789 726 HE2 TYR 561 HE1 TYR 561 0.181 2.480 -9.659 727 HH TYR 561 HH TYR 561 0.846 5.749 -10.684 728 H LEU 562 H LEU 562 6.802 -0.381 -8.132 729 HA LEU 562 HA LEU 562 8.905 1.220 -7.290 730 HB2 LEU 562 HB3 LEU 562 8.599 -1.773 -7.488 731 HB3 LEU 562 HB2 LEU 562 10.061 -1.037 -6.830 732 HG LEU 562 HG LEU 562 7.604 0.125 -5.723 733 HD11 LEU 562 HD11 LEU 562 7.211 -1.910 -4.252 734 HD12 LEU 562 HD12 LEU 562 8.184 -2.827 -5.400 735 HD13 LEU 562 HD13 LEU 562 6.677 -2.077 -5.925 736 HD21 LEU 562 HD21 LEU 562 8.847 -0.078 -3.672 737 HD22 LEU 562 HD22 LEU 562 10.001 0.386 -4.922 738 HD23 LEU 562 HD23 LEU 562 9.920 -1.289 -4.373 739 H GLU 563 H GLU 563 8.895 -1.180 -9.929 740 HA GLU 563 HA GLU 563 11.582 -0.746 -10.709 741 HB2 GLU 563 HB3 GLU 563 9.176 -1.974 -12.021 742 HB3 GLU 563 HB2 GLU 563 10.660 -1.724 -12.942 743 HG2 GLU 563 HG3 GLU 563 10.334 -3.986 -11.682 744 HG3 GLU 563 HG2 GLU 563 11.900 -3.181 -11.590 745 H THR 564 H THR 564 8.509 0.489 -12.058 746 HA THR 564 HA THR 564 9.787 2.174 -13.968 747 HB THR 564 HB THR 564 7.530 3.109 -14.263 748 HG1 THR 564 HG1 THR 564 6.295 1.389 -12.582 749 HG21 THR 564 HG21 THR 564 8.105 1.002 -15.384 750 HG22 THR 564 HG22 THR 564 6.408 1.005 -14.906 751 HG23 THR 564 HG23 THR 564 7.588 0.099 -13.959 752 H SER 565 H SER 565 11.322 3.335 -12.687 753 HA SER 565 HA SER 565 10.155 5.714 -11.441 754 HB2 SER 565 HB3 SER 565 10.582 4.068 -9.605 755 HB3 SER 565 HB2 SER 565 12.284 4.068 -10.058 756 HG SER 565 HG SER 565 10.902 5.843 -8.579 757 H GLY 566 H GLY 566 10.958 6.540 -13.517 758 HA2 GLY 566 HA3 GLY 566 13.751 6.537 -14.128 759 HA3 GLY 566 HA2 GLY 566 12.527 7.570 -14.860 760 H THR 567 H THR 567 14.525 7.172 -11.958 761 HA THR 567 HA THR 567 14.293 10.073 -11.446 762 HB THR 567 HB THR 567 15.078 9.553 -9.173 763 HG1 THR 567 HG1 THR 567 14.729 6.853 -9.458 764 HG21 THR 567 HG21 THR 567 12.700 9.539 -9.458 765 HG22 THR 567 HG22 THR 567 13.093 8.111 -8.501 766 HG23 THR 567 HG23 THR 567 12.736 7.950 -10.220 767 H SER 568 H SER 568 15.838 10.783 -12.930 768 HA SER 568 HA SER 568 17.943 11.402 -13.608 769 HB2 SER 568 HB3 SER 568 19.416 11.823 -11.934 770 HB3 SER 568 HB2 SER 568 18.089 11.330 -10.887 771 HG SER 568 HG SER 568 20.329 10.254 -10.801 Start of MODEL 10 1 H1 THR 326 H1 THR 326 2.644 -24.380 13.385 2 H2 THR 326 H2 THR 326 3.583 -24.003 12.021 3 H3 THR 326 H3 THR 326 2.440 -22.889 12.605 4 HA THR 326 HA THR 326 3.708 -22.297 14.418 5 HB THR 326 HB THR 326 5.822 -23.799 14.883 6 HG1 THR 326 HG1 THR 326 5.724 -25.769 14.076 7 HG21 THR 326 HG21 THR 326 4.010 -23.522 16.476 8 HG22 THR 326 HG22 THR 326 4.410 -25.237 16.367 9 HG23 THR 326 HG23 THR 326 2.979 -24.612 15.546 10 H GLN 327 H GLN 327 4.326 -22.959 11.226 11 HA GLN 327 HA GLN 327 7.001 -21.843 11.087 12 HB2 GLN 327 HB3 GLN 327 6.157 -21.856 8.517 13 HB3 GLN 327 HB2 GLN 327 6.823 -23.277 9.325 14 HG2 GLN 327 HG3 GLN 327 4.654 -24.144 9.804 15 HG3 GLN 327 HG2 GLN 327 3.875 -22.617 9.392 16 HE21 GLN 327 HE21 GLN 327 2.953 -22.607 7.345 17 HE22 GLN 327 HE22 GLN 327 3.472 -23.557 6.038 18 H GLY 328 H GLY 328 4.030 -20.529 11.610 19 HA2 GLY 328 HA3 GLY 328 4.921 -17.870 10.995 20 HA3 GLY 328 HA2 GLY 328 3.656 -18.417 9.898 21 H GLY 329 H GLY 329 1.575 -18.328 10.548 22 HA2 GLY 329 HA3 GLY 329 0.224 -18.742 12.757 23 HA3 GLY 329 HA2 GLY 329 1.049 -17.262 13.234 24 H ARG 330 H ARG 330 -0.293 -15.580 13.095 25 HA ARG 330 HA ARG 330 -1.899 -15.263 10.643 26 HB2 ARG 330 HB3 ARG 330 -3.745 -14.338 12.095 27 HB3 ARG 330 HB2 ARG 330 -3.485 -16.076 12.247 28 HG2 ARG 330 HG3 ARG 330 -1.768 -14.685 14.098 29 HG3 ARG 330 HG2 ARG 330 -3.435 -14.146 14.318 30 HD2 ARG 330 HD3 ARG 330 -2.593 -17.054 14.189 31 HD3 ARG 330 HD2 ARG 330 -2.852 -16.165 15.689 32 HE ARG 330 HE ARG 330 -4.894 -17.188 13.925 33 HH11 ARG 330 HH21 ARG 330 -4.044 -14.774 16.252 34 HH12 ARG 330 HH22 ARG 330 -5.677 -14.486 16.755 35 HH21 ARG 330 HH11 ARG 330 -7.037 -16.818 14.578 36 HH22 ARG 330 HH12 ARG 330 -7.370 -15.644 15.806 37 HA PRO 331 HA PRO 331 0.429 -11.422 11.966 38 HB2 PRO 331 HB3 PRO 331 2.058 -11.219 9.785 39 HB3 PRO 331 HB2 PRO 331 2.492 -12.144 11.236 40 HG2 PRO 331 HG3 PRO 331 1.504 -13.098 8.606 41 HG3 PRO 331 HG2 PRO 331 2.669 -13.838 9.713 42 HD2 PRO 331 HD3 PRO 331 0.024 -14.631 9.475 43 HD3 PRO 331 HD2 PRO 331 1.037 -14.925 10.904 44 H SER 332 H SER 332 -0.257 -9.413 11.358 45 HA SER 332 HA SER 332 -1.989 -9.251 8.980 46 HB2 SER 332 HB3 SER 332 -2.056 -6.871 10.567 47 HB3 SER 332 HB2 SER 332 -3.340 -8.046 10.294 48 HG SER 332 HG SER 332 -2.938 -8.902 12.175 49 H LEU 333 H LEU 333 -1.909 -7.233 7.721 50 HA LEU 333 HA LEU 333 0.622 -5.767 7.814 51 HB2 LEU 333 HB3 LEU 333 0.711 -7.903 6.287 52 HB3 LEU 333 HB2 LEU 333 -0.229 -6.907 5.177 53 HG LEU 333 HG LEU 333 1.626 -5.103 5.712 54 HD11 LEU 333 HD11 LEU 333 3.388 -7.501 5.882 55 HD12 LEU 333 HD12 LEU 333 2.582 -6.979 7.363 56 HD13 LEU 333 HD13 LEU 333 3.649 -5.869 6.500 57 HD21 LEU 333 HD21 LEU 333 1.593 -7.407 3.820 58 HD22 LEU 333 HD22 LEU 333 3.087 -6.475 3.924 59 HD23 LEU 333 HD23 LEU 333 1.582 -5.678 3.491 60 H ILE 334 H ILE 334 -0.374 -3.832 8.164 61 HA ILE 334 HA ILE 334 -2.119 -2.845 6.002 62 HB ILE 334 HB ILE 334 -2.553 -2.372 8.958 63 HG12 ILE 334 HG13 ILE 334 -4.843 -3.478 7.827 64 HG13 ILE 334 HG12 ILE 334 -3.534 -4.377 7.058 65 HG21 ILE 334 HG21 ILE 334 -3.245 -0.395 7.859 66 HG22 ILE 334 HG22 ILE 334 -4.725 -1.348 7.962 67 HG23 ILE 334 HG23 ILE 334 -3.826 -1.278 6.448 68 HD11 ILE 334 HD11 ILE 334 -2.559 -4.812 9.313 69 HD12 ILE 334 HD12 ILE 334 -4.171 -5.501 9.129 70 HD13 ILE 334 HD13 ILE 334 -3.948 -4.006 10.040 71 H ALA 335 H ALA 335 -1.818 -0.752 5.386 72 HA ALA 335 HA ALA 335 0.384 0.700 6.737 73 HB1 ALA 335 HB1 ALA 335 -0.154 0.126 3.908 74 HB2 ALA 335 HB2 ALA 335 1.363 0.539 4.711 75 HB3 ALA 335 HB3 ALA 335 0.235 1.811 4.243 76 H ARG 336 H ARG 336 -0.035 2.659 7.505 77 HA ARG 336 HA ARG 336 -2.691 3.822 6.985 78 HB2 ARG 336 HB3 ARG 336 -0.756 4.716 9.114 79 HB3 ARG 336 HB2 ARG 336 -2.507 4.929 9.058 80 HG2 ARG 336 HG3 ARG 336 -2.536 2.296 9.026 81 HG3 ARG 336 HG2 ARG 336 -0.921 2.465 9.712 82 HD2 ARG 336 HD3 ARG 336 -3.428 3.742 10.843 83 HD3 ARG 336 HD2 ARG 336 -2.663 2.286 11.471 84 HE ARG 336 HE ARG 336 -0.908 4.592 11.312 85 HH11 ARG 336 HH21 ARG 336 -3.200 2.777 13.164 86 HH12 ARG 336 HH22 ARG 336 -2.632 3.358 14.695 87 HH21 ARG 336 HH11 ARG 336 -0.156 5.356 13.316 88 HH22 ARG 336 HH12 ARG 336 -0.908 4.818 14.780 89 H ILE 337 H ILE 337 -2.887 5.629 5.818 90 HA ILE 337 HA ILE 337 -0.479 7.282 5.371 91 HB ILE 337 HB ILE 337 -2.406 7.244 3.157 92 HG12 ILE 337 HG13 ILE 337 -0.815 4.762 3.879 93 HG13 ILE 337 HG12 ILE 337 -2.573 4.880 3.784 94 HG21 ILE 337 HG21 ILE 337 -0.374 7.253 1.876 95 HG22 ILE 337 HG22 ILE 337 0.567 6.683 3.254 96 HG23 ILE 337 HG23 ILE 337 -0.107 8.314 3.260 97 HD11 ILE 337 HD11 ILE 337 -1.733 5.858 1.323 98 HD12 ILE 337 HD12 ILE 337 -2.361 4.239 1.627 99 HD13 ILE 337 HD13 ILE 337 -0.622 4.524 1.635 100 HA PRO 338 HA PRO 338 -3.748 9.945 7.288 101 HB2 PRO 338 HB3 PRO 338 -1.336 11.700 7.421 102 HB3 PRO 338 HB2 PRO 338 -2.549 11.353 8.668 103 HG2 PRO 338 HG3 PRO 338 -0.125 10.268 8.762 104 HG3 PRO 338 HG2 PRO 338 -1.565 9.367 9.268 105 HD2 PRO 338 HD3 PRO 338 0.061 9.074 6.777 106 HD3 PRO 338 HD2 PRO 338 -0.832 7.842 7.694 107 H VAL 339 H VAL 339 -5.056 10.994 5.923 108 HA VAL 339 HA VAL 339 -4.560 11.749 3.332 109 HB VAL 339 HB VAL 339 -6.495 13.253 3.512 110 HG11 VAL 339 HG11 VAL 339 -8.078 11.586 4.625 111 HG12 VAL 339 HG12 VAL 339 -6.647 10.633 5.016 112 HG13 VAL 339 HG13 VAL 339 -7.066 10.941 3.331 113 HG21 VAL 339 HG21 VAL 339 -5.925 12.935 6.457 114 HG22 VAL 339 HG22 VAL 339 -7.538 13.359 5.886 115 HG23 VAL 339 HG23 VAL 339 -6.173 14.421 5.539 116 H ALA 340 H ALA 340 -3.821 13.531 6.265 117 HA ALA 340 HA ALA 340 -3.334 16.069 5.252 118 HB1 ALA 340 HB1 ALA 340 -1.436 14.935 7.262 119 HB2 ALA 340 HB2 ALA 340 -3.142 15.060 7.691 120 HB3 ALA 340 HB3 ALA 340 -2.239 16.505 7.237 121 H ARG 341 H ARG 341 -1.827 13.188 4.400 122 HA ARG 341 HA ARG 341 0.682 14.490 3.601 123 HB2 ARG 341 HB3 ARG 341 0.291 12.054 4.694 124 HB3 ARG 341 HB2 ARG 341 0.221 11.628 2.983 125 HG2 ARG 341 HG3 ARG 341 2.368 12.909 2.661 126 HG3 ARG 341 HG2 ARG 341 2.464 13.075 4.413 127 HD2 ARG 341 HD3 ARG 341 2.009 10.394 4.172 128 HD3 ARG 341 HD2 ARG 341 2.949 10.707 2.714 129 HE ARG 341 HE ARG 341 4.146 11.920 5.017 130 HH11 ARG 341 HH21 ARG 341 3.659 8.942 3.324 131 HH12 ARG 341 HH22 ARG 341 5.113 8.208 3.915 132 HH21 ARG 341 HH11 ARG 341 6.055 10.961 5.798 133 HH22 ARG 341 HH12 ARG 341 6.468 9.350 5.315 134 H ILE 342 H ILE 342 -1.770 12.342 2.138 135 HA ILE 342 HA ILE 342 -0.922 12.907 -0.537 136 HB ILE 342 HB ILE 342 -3.541 11.697 0.395 137 HG12 ILE 342 HG13 ILE 342 -1.466 9.884 -0.592 138 HG13 ILE 342 HG12 ILE 342 -0.983 10.708 0.887 139 HG21 ILE 342 HG21 ILE 342 -3.343 12.444 -2.023 140 HG22 ILE 342 HG22 ILE 342 -3.646 10.723 -1.802 141 HG23 ILE 342 HG23 ILE 342 -2.022 11.287 -2.195 142 HD11 ILE 342 HD11 ILE 342 -2.900 9.912 2.069 143 HD12 ILE 342 HD12 ILE 342 -2.253 8.520 1.202 144 HD13 ILE 342 HD13 ILE 342 -3.673 9.361 0.583 145 H LEU 343 H LEU 343 -3.956 13.659 1.197 146 HA LEU 343 HA LEU 343 -4.897 15.477 -0.760 147 HB2 LEU 343 HB3 LEU 343 -5.611 14.870 2.085 148 HB3 LEU 343 HB2 LEU 343 -6.317 16.281 1.303 149 HG LEU 343 HG LEU 343 -7.719 14.199 1.103 150 HD11 LEU 343 HD11 LEU 343 -7.185 16.130 -0.826 151 HD12 LEU 343 HD12 LEU 343 -8.516 14.973 -0.868 152 HD13 LEU 343 HD13 LEU 343 -7.007 14.614 -1.708 153 HD21 LEU 343 HD21 LEU 343 -6.979 12.334 -0.161 154 HD22 LEU 343 HD22 LEU 343 -5.604 12.739 0.866 155 HD23 LEU 343 HD23 LEU 343 -5.611 13.225 -0.830 156 H GLY 344 H GLY 344 -2.962 15.878 2.157 157 HA2 GLY 344 HA3 GLY 344 -2.933 18.785 1.855 158 HA3 GLY 344 HA2 GLY 344 -2.177 17.862 3.151 159 H ASP 345 H ASP 345 -1.883 18.791 -0.247 160 HA ASP 345 HA ASP 345 0.573 17.616 -0.828 161 HB2 ASP 345 HB3 ASP 345 -1.014 19.870 -1.899 162 HB3 ASP 345 HB2 ASP 345 0.708 19.909 -2.274 163 HA PRO 346 HA PRO 346 3.551 19.877 1.533 164 HB2 PRO 346 HB3 PRO 346 5.652 20.041 -0.228 165 HB3 PRO 346 HB2 PRO 346 5.218 18.564 0.652 166 HG2 PRO 346 HG3 PRO 346 4.617 19.341 -2.157 167 HG3 PRO 346 HG2 PRO 346 5.070 17.761 -1.494 168 HD2 PRO 346 HD3 PRO 346 2.496 18.391 -2.134 169 HD3 PRO 346 HD2 PRO 346 2.910 17.269 -0.818 170 H GLU 347 H GLU 347 3.683 22.001 2.017 171 HA GLU 347 HA GLU 347 4.456 24.016 0.177 172 HB2 GLU 347 HB3 GLU 347 2.282 25.287 0.187 173 HB3 GLU 347 HB2 GLU 347 2.258 23.807 -0.774 174 HG2 GLU 347 HG3 GLU 347 1.126 22.602 0.985 175 HG3 GLU 347 HG2 GLU 347 1.312 23.956 2.099 176 H GLU 348 H GLU 348 5.337 23.286 2.690 177 HA GLU 348 HA GLU 348 4.249 25.267 4.563 178 HB2 GLU 348 HB3 GLU 348 5.753 24.151 6.207 179 HB3 GLU 348 HB2 GLU 348 4.600 23.040 5.468 180 HG2 GLU 348 HG3 GLU 348 6.897 23.114 3.790 181 HG3 GLU 348 HG2 GLU 348 7.464 22.907 5.446 182 H GLU 349 H GLU 349 6.510 25.790 6.071 183 HA GLU 349 HA GLU 349 7.674 27.942 4.681 184 HB2 GLU 349 HB3 GLU 349 9.323 27.938 6.598 185 HB3 GLU 349 HB2 GLU 349 7.626 27.995 7.078 186 HG2 GLU 349 HG3 GLU 349 8.498 25.252 6.767 187 HG3 GLU 349 HG2 GLU 349 9.548 26.109 7.894 188 H1 MET 499 H1 MET 499 2.784 -24.561 1.682 189 H2 MET 499 H2 MET 499 1.498 -24.496 0.573 190 H3 MET 499 H3 MET 499 1.731 -23.231 1.682 191 HA MET 499 HA MET 499 4.052 -23.051 0.558 192 HB2 MET 499 HB3 MET 499 3.196 -25.158 -0.846 193 HB3 MET 499 HB2 MET 499 2.505 -23.887 -1.855 194 HG2 MET 499 HG3 MET 499 4.778 -22.794 -1.892 195 HG3 MET 499 HG2 MET 499 5.415 -24.227 -1.086 196 HE1 MET 499 HE1 MET 499 7.066 -24.415 -2.739 197 HE2 MET 499 HE2 MET 499 6.896 -25.394 -4.194 198 HE3 MET 499 HE3 MET 499 6.564 -26.107 -2.617 199 H ASP 500 H ASP 500 1.017 -22.150 1.082 200 HA ASP 500 HA ASP 500 0.679 -20.140 -0.977 201 HB2 ASP 500 HB3 ASP 500 -0.850 -20.086 1.590 202 HB3 ASP 500 HB2 ASP 500 -1.400 -19.749 -0.050 203 H LYS 501 H LYS 501 3.153 -19.868 0.287 204 HA LYS 501 HA LYS 501 2.820 -17.536 2.059 205 HB2 LYS 501 HB3 LYS 501 5.538 -18.555 1.603 206 HB3 LYS 501 HB2 LYS 501 4.714 -18.168 3.114 207 HG2 LYS 501 HG3 LYS 501 3.393 -20.289 2.863 208 HG3 LYS 501 HG2 LYS 501 4.396 -20.692 1.468 209 HD2 LYS 501 HD3 LYS 501 6.398 -20.286 3.089 210 HD3 LYS 501 HD2 LYS 501 5.194 -20.480 4.363 211 HE2 LYS 501 HE3 LYS 501 4.517 -22.652 3.186 212 HE3 LYS 501 HE2 LYS 501 6.001 -22.483 2.248 213 HZ1 LYS 501 HZ1 LYS 501 6.922 -22.094 4.710 214 HZ2 LYS 501 HZ2 LYS 501 6.865 -23.620 3.964 215 HZ3 LYS 501 HZ3 LYS 501 5.643 -23.155 5.048 216 H ALA 502 H ALA 502 4.321 -18.614 -0.950 217 HA ALA 502 HA ALA 502 5.945 -16.567 -1.676 218 HB1 ALA 502 HB1 ALA 502 5.706 -17.282 -3.839 219 HB2 ALA 502 HB2 ALA 502 3.948 -17.362 -3.734 220 HB3 ALA 502 HB3 ALA 502 4.932 -18.642 -3.024 221 H TYR 503 H TYR 503 2.396 -16.540 -1.902 222 HA TYR 503 HA TYR 503 2.134 -13.980 -3.051 223 HB2 TYR 503 HB3 TYR 503 0.367 -15.876 -2.632 224 HB3 TYR 503 HB2 TYR 503 0.109 -15.032 -1.105 225 HD1 TYR 503 HD2 TYR 503 -0.195 -12.428 -1.267 226 HD2 TYR 503 HD1 TYR 503 -0.749 -15.137 -4.555 227 HE1 TYR 503 HE2 TYR 503 -1.568 -10.727 -2.435 228 HE2 TYR 503 HE1 TYR 503 -2.124 -13.436 -5.723 229 HH TYR 503 HH TYR 503 -2.692 -11.230 -5.742 230 H LEU 504 H LEU 504 2.000 -15.007 0.360 231 HA LEU 504 HA LEU 504 1.659 -12.401 1.420 232 HB2 LEU 504 HB3 LEU 504 2.465 -15.061 2.532 233 HB3 LEU 504 HB2 LEU 504 2.678 -13.616 3.521 234 HG LEU 504 HG LEU 504 0.304 -13.044 3.224 235 HD11 LEU 504 HD11 LEU 504 0.374 -15.493 1.465 236 HD12 LEU 504 HD12 LEU 504 -0.251 -13.887 1.088 237 HD13 LEU 504 HD13 LEU 504 -1.132 -14.938 2.196 238 HD21 LEU 504 HD21 LEU 504 -0.645 -14.857 4.561 239 HD22 LEU 504 HD22 LEU 504 1.007 -14.546 5.093 240 HD23 LEU 504 HD23 LEU 504 0.658 -15.938 4.067 241 H ASP 505 H ASP 505 4.518 -14.373 0.766 242 HA ASP 505 HA ASP 505 6.459 -12.822 2.030 243 HB2 ASP 505 HB3 ASP 505 6.519 -15.103 0.581 244 HB3 ASP 505 HB2 ASP 505 7.180 -13.976 -0.602 245 H GLU 506 H GLU 506 5.200 -12.599 -1.291 246 HA GLU 506 HA GLU 506 6.808 -10.461 -2.150 247 HB2 GLU 506 HB3 GLU 506 4.033 -11.337 -2.970 248 HB3 GLU 506 HB2 GLU 506 4.923 -10.053 -3.790 249 HG2 GLU 506 HG3 GLU 506 6.214 -12.734 -3.341 250 HG3 GLU 506 HG2 GLU 506 5.111 -12.499 -4.697 251 H LEU 507 H LEU 507 3.525 -10.434 -0.759 252 HA LEU 507 HA LEU 507 3.081 -7.689 -0.781 253 HB2 LEU 507 HB3 LEU 507 2.065 -9.993 0.775 254 HB3 LEU 507 HB2 LEU 507 1.809 -8.405 1.499 255 HG LEU 507 HG LEU 507 1.105 -9.043 -1.391 256 HD11 LEU 507 HD11 LEU 507 -0.197 -10.483 0.129 257 HD12 LEU 507 HD12 LEU 507 -1.223 -9.250 -0.607 258 HD13 LEU 507 HD13 LEU 507 -0.680 -9.067 1.062 259 HD21 LEU 507 HD21 LEU 507 1.159 -6.637 0.204 260 HD22 LEU 507 HD22 LEU 507 -0.507 -7.009 -0.244 261 HD23 LEU 507 HD23 LEU 507 0.726 -6.829 -1.490 262 H VAL 508 H VAL 508 4.603 -9.681 1.747 263 HA VAL 508 HA VAL 508 5.109 -7.580 3.563 264 HB VAL 508 HB VAL 508 6.681 -10.138 3.181 265 HG11 VAL 508 HG11 VAL 508 7.892 -8.658 4.617 266 HG12 VAL 508 HG12 VAL 508 7.036 -9.772 5.685 267 HG13 VAL 508 HG13 VAL 508 6.418 -8.138 5.436 268 HG21 VAL 508 HG21 VAL 508 4.881 -11.231 3.984 269 HG22 VAL 508 HG22 VAL 508 3.961 -9.728 3.916 270 HG23 VAL 508 HG23 VAL 508 4.838 -10.161 5.384 271 H GLU 509 H GLU 509 7.157 -9.051 1.050 272 HA GLU 509 HA GLU 509 9.476 -7.568 1.472 273 HB2 GLU 509 HB3 GLU 509 9.557 -9.406 -0.045 274 HB3 GLU 509 HB2 GLU 509 8.284 -8.717 -1.054 275 HG2 GLU 509 HG3 GLU 509 9.692 -7.146 -2.002 276 HG3 GLU 509 HG2 GLU 509 10.754 -7.095 -0.595 277 H LEU 510 H LEU 510 6.588 -6.770 -0.423 278 HA LEU 510 HA LEU 510 7.547 -4.380 -1.566 279 HB2 LEU 510 HB3 LEU 510 5.534 -5.495 -2.391 280 HB3 LEU 510 HB2 LEU 510 4.717 -5.197 -0.856 281 HG LEU 510 HG LEU 510 5.877 -2.773 -1.996 282 HD11 LEU 510 HD11 LEU 510 5.368 -3.767 -4.133 283 HD12 LEU 510 HD12 LEU 510 4.099 -2.594 -3.782 284 HD13 LEU 510 HD13 LEU 510 3.793 -4.316 -3.560 285 HD21 LEU 510 HD21 LEU 510 3.051 -3.561 -1.205 286 HD22 LEU 510 HD22 LEU 510 3.611 -1.915 -1.500 287 HD23 LEU 510 HD23 LEU 510 4.245 -2.830 -0.133 288 H HIS 511 H HIS 511 5.303 -4.788 1.190 289 HA HIS 511 HA HIS 511 5.151 -2.190 2.024 290 HB2 HIS 511 HB3 HIS 511 4.545 -4.723 3.131 291 HB3 HIS 511 HB2 HIS 511 5.461 -3.841 4.355 292 HD1 HIS 511 HD1 HIS 511 3.595 -3.083 5.884 293 HD2 HIS 511 HD2 HIS 511 2.835 -2.165 1.890 294 HE1 HIS 511 HE1 HIS 511 1.526 -1.623 5.859 295 HE2 HIS 511 HE2 HIS 511 1.074 -1.043 3.430 296 H ARG 512 H ARG 512 7.744 -4.499 2.673 297 HA ARG 512 HA ARG 512 9.205 -2.905 4.494 298 HB2 ARG 512 HB3 ARG 512 9.874 -5.219 2.707 299 HB3 ARG 512 HB2 ARG 512 11.162 -4.362 3.556 300 HG2 ARG 512 HG3 ARG 512 8.761 -5.118 5.151 301 HG3 ARG 512 HG2 ARG 512 9.846 -6.422 4.669 302 HD2 ARG 512 HD3 ARG 512 11.751 -5.209 5.654 303 HD3 ARG 512 HD2 ARG 512 10.677 -3.896 6.125 304 HE ARG 512 HE ARG 512 10.965 -6.446 7.452 305 HH11 ARG 512 HH21 ARG 512 8.894 -3.755 6.783 306 HH12 ARG 512 HH22 ARG 512 7.933 -3.962 8.208 307 HH21 ARG 512 HH11 ARG 512 9.708 -6.724 9.324 308 HH22 ARG 512 HH12 ARG 512 8.394 -5.644 9.647 309 H ARG 513 H ARG 513 9.614 -3.395 0.983 310 HA ARG 513 HA ARG 513 11.744 -1.611 0.618 311 HB2 ARG 513 HB3 ARG 513 9.547 -2.543 -1.230 312 HB3 ARG 513 HB2 ARG 513 10.848 -1.479 -1.767 313 HG2 ARG 513 HG3 ARG 513 11.732 -3.849 -0.239 314 HG3 ARG 513 HG2 ARG 513 11.001 -4.204 -1.804 315 HD2 ARG 513 HD3 ARG 513 12.561 -2.754 -2.939 316 HD3 ARG 513 HD2 ARG 513 13.192 -2.155 -1.409 317 HE ARG 513 HE ARG 513 13.464 -5.005 -1.656 318 HH11 ARG 513 HH21 ARG 513 14.779 -1.927 -2.533 319 HH12 ARG 513 HH22 ARG 513 16.394 -2.520 -2.740 320 HH21 ARG 513 HH11 ARG 513 15.579 -5.791 -1.926 321 HH22 ARG 513 HH12 ARG 513 16.846 -4.708 -2.396 322 H LEU 514 H LEU 514 8.373 -1.049 1.149 323 HA LEU 514 HA LEU 514 8.459 1.698 0.185 324 HB2 LEU 514 HB3 LEU 514 6.418 -0.227 0.769 325 HB3 LEU 514 HB2 LEU 514 6.122 1.227 1.723 326 HG LEU 514 HG LEU 514 6.679 1.235 -1.256 327 HD11 LEU 514 HD11 LEU 514 4.562 0.256 -1.149 328 HD12 LEU 514 HD12 LEU 514 4.158 1.973 -1.200 329 HD13 LEU 514 HD13 LEU 514 4.135 1.106 0.336 330 HD21 LEU 514 HD21 LEU 514 6.775 3.481 -1.052 331 HD22 LEU 514 HD22 LEU 514 6.784 3.267 0.699 332 HD23 LEU 514 HD23 LEU 514 5.257 3.507 -0.152 333 H MET 515 H MET 515 8.019 0.038 3.306 334 HA MET 515 HA MET 515 7.755 2.183 5.000 335 HB2 MET 515 HB3 MET 515 8.871 -0.552 5.261 336 HB3 MET 515 HB2 MET 515 9.318 0.596 6.522 337 HG2 MET 515 HG3 MET 515 7.089 0.941 7.175 338 HG3 MET 515 HG2 MET 515 6.448 0.342 5.645 339 HE1 MET 515 HE1 MET 515 5.135 -2.157 8.340 340 HE2 MET 515 HE2 MET 515 4.718 -0.976 7.102 341 HE3 MET 515 HE3 MET 515 5.484 -0.442 8.595 342 H THR 516 H THR 516 10.512 1.277 3.140 343 HA THR 516 HA THR 516 12.305 2.994 4.705 344 HB THR 516 HB THR 516 14.011 2.153 3.004 345 HG1 THR 516 HG1 THR 516 12.726 -0.046 2.352 346 HG21 THR 516 HG21 THR 516 12.507 0.253 4.816 347 HG22 THR 516 HG22 THR 516 13.953 1.185 5.204 348 HG23 THR 516 HG23 THR 516 14.046 -0.149 4.055 349 H LEU 517 H LEU 517 10.763 2.761 1.542 350 HA LEU 517 HA LEU 517 12.082 5.075 0.467 351 HB2 LEU 517 HB3 LEU 517 10.308 3.016 -0.480 352 HB3 LEU 517 HB2 LEU 517 9.676 4.599 -0.938 353 HG LEU 517 HG LEU 517 11.927 5.190 -1.839 354 HD11 LEU 517 HD11 LEU 517 12.950 2.524 -2.121 355 HD12 LEU 517 HD12 LEU 517 12.666 2.845 -0.410 356 HD13 LEU 517 HD13 LEU 517 13.711 3.914 -1.347 357 HD21 LEU 517 HD21 LEU 517 11.575 2.818 -3.415 358 HD22 LEU 517 HD22 LEU 517 11.086 4.468 -3.797 359 HD23 LEU 517 HD23 LEU 517 9.986 3.405 -2.921 360 H ARG 518 H ARG 518 10.884 7.006 -0.250 361 HA ARG 518 HA ARG 518 8.625 7.697 1.519 362 HB2 ARG 518 HB3 ARG 518 10.986 8.611 2.197 363 HB3 ARG 518 HB2 ARG 518 10.724 9.737 0.864 364 HG2 ARG 518 HG3 ARG 518 9.701 10.962 2.512 365 HG3 ARG 518 HG2 ARG 518 8.325 9.944 2.086 366 HD2 ARG 518 HD3 ARG 518 8.520 9.819 4.463 367 HD3 ARG 518 HD2 ARG 518 9.158 8.298 3.842 368 HE ARG 518 HE ARG 518 11.227 10.255 4.147 369 HH11 ARG 518 HH21 ARG 518 9.186 8.023 5.831 370 HH12 ARG 518 HH22 ARG 518 10.298 7.781 7.137 371 HH21 ARG 518 HH11 ARG 518 12.689 9.940 5.856 372 HH22 ARG 518 HH12 ARG 518 12.280 8.867 7.151 373 H GLU 519 H GLU 519 9.395 7.133 -1.518 374 HA GLU 519 HA GLU 519 8.897 9.344 -3.088 375 HB2 GLU 519 HB3 GLU 519 7.758 7.655 -4.658 376 HB3 GLU 519 HB2 GLU 519 9.434 7.337 -4.208 377 HG2 GLU 519 HG3 GLU 519 8.891 5.517 -2.944 378 HG3 GLU 519 HG2 GLU 519 7.388 6.238 -2.373 379 H ARG 520 H ARG 520 7.438 10.738 -2.080 380 HA ARG 520 HA ARG 520 4.768 9.938 -1.395 381 HB2 ARG 520 HB3 ARG 520 6.343 12.452 -1.385 382 HB3 ARG 520 HB2 ARG 520 4.593 12.625 -1.521 383 HG2 ARG 520 HG3 ARG 520 4.284 11.241 0.489 384 HG3 ARG 520 HG2 ARG 520 6.030 11.024 0.618 385 HD2 ARG 520 HD3 ARG 520 5.439 13.828 0.385 386 HD3 ARG 520 HD2 ARG 520 4.467 13.137 1.678 387 HE ARG 520 HE ARG 520 6.430 12.694 2.877 388 HH11 ARG 520 HH21 ARG 520 7.076 13.752 -0.356 389 HH12 ARG 520 HH22 ARG 520 8.767 14.002 -0.081 390 HH21 ARG 520 HH11 ARG 520 8.645 13.019 3.241 391 HH22 ARG 520 HH12 ARG 520 9.656 13.589 1.955 392 H HIS 521 H HIS 521 6.295 11.547 -4.147 393 HA HIS 521 HA HIS 521 4.053 12.433 -5.524 394 HB2 HIS 521 HB3 HIS 521 6.593 12.648 -6.081 395 HB3 HIS 521 HB2 HIS 521 6.341 11.158 -6.991 396 HD1 HIS 521 HD1 HIS 521 4.287 14.367 -6.628 397 HD2 HIS 521 HD2 HIS 521 5.790 11.854 -9.596 398 HE1 HIS 521 HE1 HIS 521 3.497 15.317 -8.839 399 HE2 HIS 521 HE2 HIS 521 4.405 13.797 -10.659 400 H ILE 522 H ILE 522 5.686 9.279 -5.871 401 HA ILE 522 HA ILE 522 3.804 8.170 -7.662 402 HB ILE 522 HB ILE 522 5.814 6.972 -5.768 403 HG12 ILE 522 HG13 ILE 522 5.669 6.836 -8.786 404 HG13 ILE 522 HG12 ILE 522 6.418 8.199 -7.955 405 HG21 ILE 522 HG21 ILE 522 3.703 5.640 -7.438 406 HG22 ILE 522 HG22 ILE 522 4.269 5.226 -5.819 407 HG23 ILE 522 HG23 ILE 522 5.267 4.853 -7.227 408 HD11 ILE 522 HD11 ILE 522 7.201 5.296 -7.563 409 HD12 ILE 522 HD12 ILE 522 7.984 6.696 -6.830 410 HD13 ILE 522 HD13 ILE 522 8.076 6.447 -8.574 411 H LEU 523 H LEU 523 3.889 8.436 -4.176 412 HA LEU 523 HA LEU 523 2.003 6.497 -3.474 413 HB2 LEU 523 HB3 LEU 523 3.466 8.086 -1.992 414 HB3 LEU 523 HB2 LEU 523 2.067 9.151 -2.091 415 HG LEU 523 HG LEU 523 0.635 7.204 -1.344 416 HD11 LEU 523 HD11 LEU 523 1.645 5.178 -1.428 417 HD12 LEU 523 HD12 LEU 523 2.418 5.649 0.084 418 HD13 LEU 523 HD13 LEU 523 3.261 5.880 -1.447 419 HD21 LEU 523 HD21 LEU 523 2.685 8.628 0.265 420 HD22 LEU 523 HD22 LEU 523 1.852 7.291 1.059 421 HD23 LEU 523 HD23 LEU 523 0.927 8.647 0.410 422 H GLN 524 H GLN 524 1.549 9.850 -4.532 423 HA GLN 524 HA GLN 524 -1.213 10.048 -4.107 424 HB2 GLN 524 HB3 GLN 524 0.745 11.407 -5.915 425 HB3 GLN 524 HB2 GLN 524 -0.977 11.674 -6.176 426 HG2 GLN 524 HG3 GLN 524 0.011 11.878 -3.366 427 HG3 GLN 524 HG2 GLN 524 0.454 13.177 -4.474 428 HE21 GLN 524 HE21 GLN 524 -0.986 14.773 -3.587 429 HE22 GLN 524 HE22 GLN 524 -2.674 14.622 -3.680 430 H GLN 525 H GLN 525 0.622 8.519 -6.668 431 HA GLN 525 HA GLN 525 -1.636 8.168 -8.429 432 HB2 GLN 525 HB3 GLN 525 1.219 7.269 -8.386 433 HB3 GLN 525 HB2 GLN 525 0.079 6.433 -9.441 434 HG2 GLN 525 HG3 GLN 525 0.096 9.428 -9.441 435 HG3 GLN 525 HG2 GLN 525 1.384 8.579 -10.292 436 HE21 GLN 525 HE21 GLN 525 0.892 7.829 -12.374 437 HE22 GLN 525 HE22 GLN 525 -0.678 7.742 -13.013 438 H ILE 526 H ILE 526 0.011 6.273 -5.960 439 HA ILE 526 HA ILE 526 -1.193 3.780 -6.482 440 HB ILE 526 HB ILE 526 -0.059 5.026 -3.987 441 HG12 ILE 526 HG13 ILE 526 0.890 2.666 -5.627 442 HG13 ILE 526 HG12 ILE 526 1.382 4.324 -5.978 443 HG21 ILE 526 HG21 ILE 526 -1.464 3.517 -2.948 444 HG22 ILE 526 HG22 ILE 526 -0.128 2.432 -3.339 445 HG23 ILE 526 HG23 ILE 526 -1.561 2.472 -4.365 446 HD11 ILE 526 HD11 ILE 526 1.619 3.584 -3.146 447 HD12 ILE 526 HD12 ILE 526 2.766 4.418 -4.193 448 HD13 ILE 526 HD13 ILE 526 2.670 2.658 -4.219 449 H VAL 527 H VAL 527 -2.123 6.397 -4.257 450 HA VAL 527 HA VAL 527 -4.292 5.346 -2.989 451 HB VAL 527 HB VAL 527 -4.265 8.102 -4.242 452 HG11 VAL 527 HG11 VAL 527 -6.433 7.410 -3.287 453 HG12 VAL 527 HG12 VAL 527 -5.683 8.659 -2.295 454 HG13 VAL 527 HG13 VAL 527 -5.629 6.975 -1.777 455 HG21 VAL 527 HG21 VAL 527 -2.539 6.897 -2.271 456 HG22 VAL 527 HG22 VAL 527 -3.517 8.152 -1.509 457 HG23 VAL 527 HG23 VAL 527 -2.509 8.541 -2.902 458 H ASN 528 H ASN 528 -4.202 6.563 -6.316 459 HA ASN 528 HA ASN 528 -6.981 6.198 -6.842 460 HB2 ASN 528 HB3 ASN 528 -4.690 6.197 -8.819 461 HB3 ASN 528 HB2 ASN 528 -6.388 6.511 -9.171 462 HD21 ASN 528 HD21 ASN 528 -7.008 8.680 -9.117 463 HD22 ASN 528 HD22 ASN 528 -6.121 9.920 -8.371 464 H LEU 529 H LEU 529 -4.098 4.250 -7.620 465 HA LEU 529 HA LEU 529 -5.354 2.152 -8.941 466 HB2 LEU 529 HB3 LEU 529 -2.799 2.645 -7.746 467 HB3 LEU 529 HB2 LEU 529 -3.337 1.038 -7.267 468 HG LEU 529 HG LEU 529 -2.060 0.977 -9.383 469 HD11 LEU 529 HD11 LEU 529 -4.587 0.309 -10.572 470 HD12 LEU 529 HD12 LEU 529 -4.625 -0.122 -8.861 471 HD13 LEU 529 HD13 LEU 529 -3.363 -0.772 -9.907 472 HD21 LEU 529 HD21 LEU 529 -2.429 2.436 -11.076 473 HD22 LEU 529 HD22 LEU 529 -3.437 3.337 -9.942 474 HD23 LEU 529 HD23 LEU 529 -4.170 2.158 -11.029 475 H ILE 530 H ILE 530 -5.321 2.929 -5.558 476 HA ILE 530 HA ILE 530 -6.293 0.360 -4.685 477 HB ILE 530 HB ILE 530 -6.298 3.016 -3.230 478 HG12 ILE 530 HG13 ILE 530 -4.044 1.915 -4.093 479 HG13 ILE 530 HG12 ILE 530 -4.150 2.548 -2.454 480 HG21 ILE 530 HG21 ILE 530 -6.232 1.359 -1.240 481 HG22 ILE 530 HG22 ILE 530 -6.798 0.161 -2.405 482 HG23 ILE 530 HG23 ILE 530 -7.768 1.596 -2.070 483 HD11 ILE 530 HD11 ILE 530 -4.845 -0.326 -3.032 484 HD12 ILE 530 HD12 ILE 530 -4.360 0.407 -1.505 485 HD13 ILE 530 HD13 ILE 530 -3.172 0.166 -2.787 486 H GLU 531 H GLU 531 -7.731 3.612 -4.963 487 HA GLU 531 HA GLU 531 -10.326 3.017 -4.206 488 HB2 GLU 531 HB3 GLU 531 -9.147 5.005 -6.116 489 HB3 GLU 531 HB2 GLU 531 -10.900 4.846 -5.999 490 HG2 GLU 531 HG3 GLU 531 -10.847 5.299 -3.623 491 HG3 GLU 531 HG2 GLU 531 -9.084 5.273 -3.613 492 H GLU 532 H GLU 532 -8.645 2.240 -7.162 493 HA GLU 532 HA GLU 532 -10.843 1.660 -8.824 494 HB2 GLU 532 HB3 GLU 532 -8.046 0.516 -8.745 495 HB3 GLU 532 HB2 GLU 532 -9.216 0.138 -10.011 496 HG2 GLU 532 HG3 GLU 532 -8.953 3.015 -9.457 497 HG3 GLU 532 HG2 GLU 532 -7.478 2.268 -10.072 498 H THR 533 H THR 533 -8.890 -0.570 -6.816 499 HA THR 533 HA THR 533 -10.646 -2.787 -7.276 500 HB THR 533 HB THR 533 -8.336 -3.261 -6.761 501 HG1 THR 533 HG1 THR 533 -8.699 -4.431 -4.693 502 HG21 THR 533 HG21 THR 533 -8.884 -1.609 -4.287 503 HG22 THR 533 HG22 THR 533 -7.697 -1.295 -5.554 504 HG23 THR 533 HG23 THR 533 -7.474 -2.653 -4.449 505 H GLY 534 H GLY 534 -11.143 -0.031 -5.589 506 HA2 GLY 534 HA3 GLY 534 -12.459 0.588 -3.790 507 HA3 GLY 534 HA2 GLY 534 -13.525 -0.665 -4.416 508 H HIS 535 H HIS 535 -10.334 -1.433 -3.242 509 HA HIS 535 HA HIS 535 -11.549 -2.775 -0.898 510 HB2 HIS 535 HB3 HIS 535 -9.402 -3.575 -2.809 511 HB3 HIS 535 HB2 HIS 535 -9.259 -4.101 -1.132 512 HD1 HIS 535 HD1 HIS 535 -10.443 -5.418 -4.119 513 HD2 HIS 535 HD2 HIS 535 -12.200 -5.039 -0.358 514 HE1 HIS 535 HE1 HIS 535 -12.325 -7.111 -4.034 515 HE2 HIS 535 HE2 HIS 535 -13.407 -6.892 -1.746 516 H PHE 536 H PHE 536 -11.292 -1.219 0.661 517 HA PHE 536 HA PHE 536 -8.731 -0.966 1.867 518 HB2 PHE 536 HB3 PHE 536 -8.392 1.444 1.582 519 HB3 PHE 536 HB2 PHE 536 -8.356 0.622 0.022 520 HD1 PHE 536 HD1 PHE 536 -10.407 2.748 2.270 521 HD2 PHE 536 HD2 PHE 536 -10.061 0.994 -1.637 522 HE1 PHE 536 HE1 PHE 536 -12.268 4.173 1.464 523 HE2 PHE 536 HE2 PHE 536 -11.916 2.426 -2.441 524 HZ PHE 536 HZ PHE 536 -13.023 4.014 -0.891 525 H HIS 537 H HIS 537 -8.924 1.111 3.480 526 HA HIS 537 HA HIS 537 -11.646 1.188 4.587 527 HB2 HIS 537 HB3 HIS 537 -9.741 -0.514 5.621 528 HB3 HIS 537 HB2 HIS 537 -9.578 0.914 6.641 529 HD1 HIS 537 HD1 HIS 537 -11.508 -2.092 6.377 530 HD2 HIS 537 HD2 HIS 537 -12.356 1.817 7.552 531 HE1 HIS 537 HE1 HIS 537 -13.656 -2.195 7.715 532 HE2 HIS 537 HE2 HIS 537 -14.186 0.181 8.438 533 H ILE 538 H ILE 538 -11.971 3.344 4.286 534 HA ILE 538 HA ILE 538 -9.878 5.243 5.016 535 HB ILE 538 HB ILE 538 -11.155 5.578 2.938 536 HG12 ILE 538 HG13 ILE 538 -12.237 7.866 4.317 537 HG13 ILE 538 HG12 ILE 538 -10.643 7.474 4.968 538 HG21 ILE 538 HG21 ILE 538 -13.297 4.674 4.319 539 HG22 ILE 538 HG22 ILE 538 -13.438 5.644 2.853 540 HG23 ILE 538 HG23 ILE 538 -13.576 6.411 4.434 541 HD11 ILE 538 HD11 ILE 538 -9.697 7.463 2.712 542 HD12 ILE 538 HD12 ILE 538 -10.500 9.005 3.012 543 HD13 ILE 538 HD13 ILE 538 -11.288 7.774 2.023 544 H THR 539 H THR 539 -9.772 6.176 6.940 545 HA THR 539 HA THR 539 -11.870 5.741 8.894 546 HB THR 539 HB THR 539 -9.580 7.528 9.503 547 HG1 THR 539 HG1 THR 539 -8.624 5.949 8.196 548 HG21 THR 539 HG21 THR 539 -10.735 5.094 10.885 549 HG22 THR 539 HG22 THR 539 -11.255 6.753 11.183 550 HG23 THR 539 HG23 THR 539 -9.608 6.260 11.578 551 H ASN 540 H ASN 540 -12.852 7.459 10.112 552 HA ASN 540 HA ASN 540 -13.984 9.486 8.541 553 HB2 ASN 540 HB3 ASN 540 -14.132 8.586 11.277 554 HB3 ASN 540 HB2 ASN 540 -14.107 10.348 11.216 555 HD21 ASN 540 HD21 ASN 540 -16.053 11.366 10.656 556 HD22 ASN 540 HD22 ASN 540 -17.403 10.564 10.008 557 H THR 541 H THR 541 -11.059 9.412 10.445 558 HA THR 541 HA THR 541 -10.466 12.169 9.560 559 HB THR 541 HB THR 541 -9.325 12.550 11.735 560 HG1 THR 541 HG1 THR 541 -10.273 9.949 12.113 561 HG21 THR 541 HG21 THR 541 -12.254 11.789 11.906 562 HG22 THR 541 HG22 THR 541 -11.617 13.355 11.403 563 HG23 THR 541 HG23 THR 541 -11.401 12.809 13.066 564 H THR 542 H THR 542 -9.729 9.399 8.636 565 HA THR 542 HA THR 542 -6.956 9.938 8.139 566 HB THR 542 HB THR 542 -7.247 7.314 9.487 567 HG1 THR 542 HG1 THR 542 -6.624 9.081 11.346 568 HG21 THR 542 HG21 THR 542 -5.160 8.464 8.430 569 HG22 THR 542 HG22 THR 542 -4.983 7.651 9.983 570 HG23 THR 542 HG23 THR 542 -5.132 9.407 9.918 571 H PHE 543 H PHE 543 -5.950 8.122 6.853 572 HA PHE 543 HA PHE 543 -7.980 6.537 5.425 573 HB2 PHE 543 HB3 PHE 543 -7.618 8.323 3.925 574 HB3 PHE 543 HB2 PHE 543 -5.887 8.360 4.257 575 HD1 PHE 543 HD1 PHE 543 -8.342 5.662 3.305 576 HD2 PHE 543 HD2 PHE 543 -4.622 7.643 2.438 577 HE1 PHE 543 HE1 PHE 543 -7.938 4.092 1.435 578 HE2 PHE 543 HE2 PHE 543 -4.226 6.074 0.567 579 HZ PHE 543 HZ PHE 543 -5.880 4.293 0.065 580 H ASP 544 H ASP 544 -7.485 4.453 5.497 581 HA ASP 544 HA ASP 544 -4.667 3.616 5.323 582 HB2 ASP 544 HB3 ASP 544 -4.708 2.328 7.244 583 HB3 ASP 544 HB2 ASP 544 -5.642 3.733 7.750 584 H PHE 545 H PHE 545 -4.428 1.337 4.772 585 HA PHE 545 HA PHE 545 -6.792 -0.031 3.762 586 HB2 PHE 545 HB3 PHE 545 -6.071 -0.175 1.491 587 HB3 PHE 545 HB2 PHE 545 -6.000 1.530 1.930 588 HD1 PHE 545 HD2 PHE 545 -3.662 2.261 3.051 589 HD2 PHE 545 HD1 PHE 545 -4.216 -1.079 0.405 590 HE1 PHE 545 HE2 PHE 545 -1.251 2.305 2.493 591 HE2 PHE 545 HE1 PHE 545 -1.808 -1.032 -0.156 592 HZ PHE 545 HZ PHE 545 -0.320 0.659 0.888 593 H ASP 546 H ASP 546 -6.568 -2.206 3.790 594 HA ASP 546 HA ASP 546 -4.173 -3.275 5.011 595 HB2 ASP 546 HB3 ASP 546 -6.073 -4.288 5.882 596 HB3 ASP 546 HB2 ASP 546 -6.879 -4.363 4.316 597 H LEU 547 H LEU 547 -2.653 -4.547 4.092 598 HA LEU 547 HA LEU 547 -2.429 -4.528 1.207 599 HB2 LEU 547 HB3 LEU 547 -0.715 -5.312 3.519 600 HB3 LEU 547 HB2 LEU 547 -0.339 -6.017 1.949 601 HG LEU 547 HG LEU 547 0.863 -3.840 2.477 602 HD11 LEU 547 HD11 LEU 547 1.088 -3.711 0.267 603 HD12 LEU 547 HD12 LEU 547 -0.489 -2.928 0.147 604 HD13 LEU 547 HD13 LEU 547 -0.373 -4.684 0.059 605 HD21 LEU 547 HD21 LEU 547 -1.303 -2.914 3.537 606 HD22 LEU 547 HD22 LEU 547 -1.752 -2.487 1.885 607 HD23 LEU 547 HD23 LEU 547 -0.293 -1.817 2.602 608 H CYS 548 H CYS 548 -3.127 -6.893 3.718 609 HA CYS 548 HA CYS 548 -3.067 -9.126 1.899 610 HB2 CYS 548 HB3 CYS 548 -2.669 -9.186 4.438 611 HB3 CYS 548 HB2 CYS 548 -4.423 -9.089 4.590 612 HG CYS 548 HG CYS 548 -4.639 -11.354 3.345 613 H SER 549 H SER 549 -4.994 -6.622 1.772 614 HA SER 549 HA SER 549 -7.505 -8.150 1.441 615 HB2 SER 549 HB3 SER 549 -6.895 -5.327 2.183 616 HB3 SER 549 HB2 SER 549 -8.369 -5.643 1.272 617 HG SER 549 HG SER 549 -9.125 -6.138 3.175 618 H LEU 550 H LEU 550 -5.144 -6.146 -0.160 619 HA LEU 550 HA LEU 550 -6.658 -5.623 -2.522 620 HB2 LEU 550 HB3 LEU 550 -3.648 -5.747 -2.340 621 HB3 LEU 550 HB2 LEU 550 -4.633 -4.775 -3.433 622 HG LEU 550 HG LEU 550 -4.434 -4.448 -0.423 623 HD11 LEU 550 HD11 LEU 550 -3.845 -2.088 -1.894 624 HD12 LEU 550 HD12 LEU 550 -2.919 -3.402 -2.618 625 HD13 LEU 550 HD13 LEU 550 -2.751 -3.046 -0.899 626 HD21 LEU 550 HD21 LEU 550 -6.215 -3.201 -2.518 627 HD22 LEU 550 HD22 LEU 550 -5.814 -2.333 -1.038 628 HD23 LEU 550 HD23 LEU 550 -6.665 -3.874 -0.952 629 H ASP 551 H ASP 551 -6.695 -6.699 -4.473 630 HA ASP 551 HA ASP 551 -6.130 -9.529 -4.378 631 HB2 ASP 551 HB3 ASP 551 -7.180 -7.760 -6.598 632 HB3 ASP 551 HB2 ASP 551 -7.051 -9.516 -6.692 633 H LYS 552 H LYS 552 -5.318 -10.182 -6.880 634 HA LYS 552 HA LYS 552 -2.504 -9.681 -6.752 635 HB2 LYS 552 HB3 LYS 552 -2.550 -10.950 -8.985 636 HB3 LYS 552 HB2 LYS 552 -3.116 -11.816 -7.557 637 HG2 LYS 552 HG3 LYS 552 -5.229 -10.281 -8.900 638 HG3 LYS 552 HG2 LYS 552 -4.533 -11.548 -9.911 639 HD2 LYS 552 HD3 LYS 552 -4.938 -13.209 -8.148 640 HD3 LYS 552 HD2 LYS 552 -5.585 -11.951 -7.094 641 HE2 LYS 552 HE3 LYS 552 -7.286 -11.469 -8.939 642 HE3 LYS 552 HE2 LYS 552 -6.752 -12.973 -9.689 643 HZ1 LYS 552 HZ1 LYS 552 -8.358 -12.558 -7.325 644 HZ2 LYS 552 HZ2 LYS 552 -7.142 -13.731 -7.148 645 HZ3 LYS 552 HZ3 LYS 552 -8.300 -13.885 -8.380 646 H THR 553 H THR 553 -5.160 -8.469 -8.722 647 HA THR 553 HA THR 553 -3.759 -7.233 -10.775 648 HB THR 553 HB THR 553 -5.749 -6.267 -11.300 649 HG1 THR 553 HG1 THR 553 -6.515 -5.824 -8.645 650 HG21 THR 553 HG21 THR 553 -6.897 -7.827 -8.997 651 HG22 THR 553 HG22 THR 553 -6.164 -8.651 -10.375 652 HG23 THR 553 HG23 THR 553 -7.560 -7.601 -10.616 653 H THR 554 H THR 554 -4.876 -5.704 -7.737 654 HA THR 554 HA THR 554 -3.526 -3.270 -8.128 655 HB THR 554 HB THR 554 -3.652 -3.813 -5.343 656 HG1 THR 554 HG1 THR 554 -4.953 -5.612 -6.095 657 HG21 THR 554 HG21 THR 554 -5.610 -2.365 -7.146 658 HG22 THR 554 HG22 THR 554 -4.115 -1.668 -6.522 659 HG23 THR 554 HG23 THR 554 -5.407 -2.122 -5.411 660 H VAL 555 H VAL 555 -2.564 -6.175 -6.316 661 HA VAL 555 HA VAL 555 -0.168 -5.244 -5.254 662 HB VAL 555 HB VAL 555 -0.933 -8.026 -6.168 663 HG11 VAL 555 HG11 VAL 555 1.569 -6.920 -4.992 664 HG12 VAL 555 HG12 VAL 555 1.339 -8.336 -6.018 665 HG13 VAL 555 HG13 VAL 555 0.969 -8.426 -4.295 666 HG21 VAL 555 HG21 VAL 555 -1.890 -6.488 -4.080 667 HG22 VAL 555 HG22 VAL 555 -0.595 -7.409 -3.313 668 HG23 VAL 555 HG23 VAL 555 -1.910 -8.251 -4.130 669 H ARG 556 H ARG 556 -0.825 -6.687 -8.413 670 HA ARG 556 HA ARG 556 1.847 -6.788 -9.304 671 HB2 ARG 556 HB3 ARG 556 0.620 -8.036 -10.742 672 HB3 ARG 556 HB2 ARG 556 -0.847 -7.119 -10.433 673 HG2 ARG 556 HG3 ARG 556 -0.137 -6.911 -12.776 674 HG3 ARG 556 HG2 ARG 556 -0.079 -5.346 -11.972 675 HD2 ARG 556 HD3 ARG 556 2.093 -5.183 -12.578 676 HD3 ARG 556 HD2 ARG 556 2.455 -6.570 -11.556 677 HE ARG 556 HE ARG 556 2.122 -6.585 -14.448 678 HH11 ARG 556 HH21 ARG 556 2.266 -8.369 -11.480 679 HH12 ARG 556 HH22 ARG 556 2.641 -9.878 -12.245 680 HH21 ARG 556 HH11 ARG 556 2.606 -8.570 -15.455 681 HH22 ARG 556 HH12 ARG 556 2.833 -9.991 -14.491 682 H LYS 557 H LYS 557 -0.693 -4.334 -9.638 683 HA LYS 557 HA LYS 557 0.762 -2.555 -11.277 684 HB2 LYS 557 HB3 LYS 557 -1.565 -2.202 -9.392 685 HB3 LYS 557 HB2 LYS 557 -0.883 -0.847 -10.289 686 HG2 LYS 557 HG3 LYS 557 -1.342 -3.188 -11.991 687 HG3 LYS 557 HG2 LYS 557 -2.823 -2.606 -11.234 688 HD2 LYS 557 HD3 LYS 557 -2.315 -0.311 -12.041 689 HD3 LYS 557 HD2 LYS 557 -0.871 -0.931 -12.843 690 HE2 LYS 557 HE3 LYS 557 -2.707 -0.767 -14.453 691 HE3 LYS 557 HE2 LYS 557 -2.308 -2.463 -14.179 692 HZ1 LYS 557 HZ1 LYS 557 -4.296 -2.853 -13.290 693 HZ2 LYS 557 HZ2 LYS 557 -4.776 -1.367 -13.959 694 HZ3 LYS 557 HZ3 LYS 557 -4.262 -1.448 -12.342 695 H LEU 558 H LEU 558 0.486 -2.856 -7.764 696 HA LEU 558 HA LEU 558 1.926 -0.506 -7.110 697 HB2 LEU 558 HB3 LEU 558 1.501 -3.093 -5.604 698 HB3 LEU 558 HB2 LEU 558 2.248 -1.660 -4.897 699 HG LEU 558 HG LEU 558 -0.502 -1.687 -6.178 700 HD11 LEU 558 HD11 LEU 558 -1.310 -1.534 -3.800 701 HD12 LEU 558 HD12 LEU 558 0.334 -1.892 -3.273 702 HD13 LEU 558 HD13 LEU 558 -0.573 -3.085 -4.204 703 HD21 LEU 558 HD21 LEU 558 0.002 0.549 -6.174 704 HD22 LEU 558 HD22 LEU 558 1.224 0.387 -4.914 705 HD23 LEU 558 HD23 LEU 558 -0.485 0.415 -4.485 706 H GLN 559 H GLN 559 2.927 -3.882 -7.557 707 HA GLN 559 HA GLN 559 5.617 -3.602 -6.830 708 HB2 GLN 559 HB3 GLN 559 3.969 -5.585 -8.129 709 HB3 GLN 559 HB2 GLN 559 5.539 -5.471 -8.927 710 HG2 GLN 559 HG3 GLN 559 6.675 -5.717 -6.760 711 HG3 GLN 559 HG2 GLN 559 5.115 -5.805 -5.943 712 HE21 GLN 559 HE21 GLN 559 3.682 -7.505 -7.678 713 HE22 GLN 559 HE22 GLN 559 4.431 -9.028 -7.712 714 H SER 560 H SER 560 3.997 -3.095 -9.940 715 HA SER 560 HA SER 560 6.343 -2.616 -11.457 716 HB2 SER 560 HB3 SER 560 3.856 -3.027 -12.203 717 HB3 SER 560 HB2 SER 560 3.747 -1.270 -12.107 718 HG SER 560 HG SER 560 4.441 -1.728 -14.144 719 H TYR 561 H TYR 561 4.140 -0.467 -9.691 720 HA TYR 561 HA TYR 561 5.122 2.006 -10.457 721 HB2 TYR 561 HB3 TYR 561 3.729 0.937 -8.079 722 HB3 TYR 561 HB2 TYR 561 4.614 2.439 -7.819 723 HD1 TYR 561 HD2 TYR 561 4.341 4.198 -9.846 724 HD2 TYR 561 HD1 TYR 561 1.519 1.129 -8.808 725 HE1 TYR 561 HE2 TYR 561 2.544 5.462 -10.995 726 HE2 TYR 561 HE1 TYR 561 -0.278 2.392 -9.960 727 HH TYR 561 HH TYR 561 -0.707 4.108 -11.365 728 H LEU 562 H LEU 562 6.290 -0.097 -7.833 729 HA LEU 562 HA LEU 562 8.360 1.607 -6.951 730 HB2 LEU 562 HB3 LEU 562 7.937 -1.374 -6.764 731 HB3 LEU 562 HB2 LEU 562 9.348 -0.580 -6.063 732 HG LEU 562 HG LEU 562 6.811 0.756 -5.414 733 HD11 LEU 562 HD11 LEU 562 7.366 -2.040 -4.369 734 HD12 LEU 562 HD12 LEU 562 6.026 -1.585 -5.423 735 HD13 LEU 562 HD13 LEU 562 6.107 -0.956 -3.777 736 HD21 LEU 562 HD21 LEU 562 9.134 1.148 -4.440 737 HD22 LEU 562 HD22 LEU 562 8.957 -0.399 -3.615 738 HD23 LEU 562 HD23 LEU 562 7.848 0.924 -3.257 739 H GLU 563 H GLU 563 8.281 -0.960 -9.389 740 HA GLU 563 HA GLU 563 11.042 -1.043 -9.942 741 HB2 GLU 563 HB3 GLU 563 8.562 -1.823 -11.426 742 HB3 GLU 563 HB2 GLU 563 10.104 -1.806 -12.282 743 HG2 GLU 563 HG3 GLU 563 11.078 -3.346 -10.691 744 HG3 GLU 563 HG2 GLU 563 9.654 -3.249 -9.657 745 H THR 564 H THR 564 8.964 -0.066 -12.564 746 HA THR 564 HA THR 564 10.696 1.656 -13.809 747 HB THR 564 HB THR 564 8.774 1.167 -15.039 748 HG1 THR 564 HG1 THR 564 7.611 3.255 -15.105 749 HG21 THR 564 HG21 THR 564 6.471 1.883 -13.984 750 HG22 THR 564 HG22 THR 564 7.361 1.779 -12.465 751 HG23 THR 564 HG23 THR 564 7.221 0.362 -13.505 752 H SER 565 H SER 565 11.857 2.955 -12.397 753 HA SER 565 HA SER 565 10.332 5.158 -11.135 754 HB2 SER 565 HB3 SER 565 11.499 3.481 -9.580 755 HB3 SER 565 HB2 SER 565 13.010 4.169 -10.170 756 HG SER 565 HG SER 565 12.669 5.715 -8.803 757 H GLY 566 H GLY 566 10.781 5.820 -13.554 758 HA2 GLY 566 HA3 GLY 566 13.415 6.724 -14.205 759 HA3 GLY 566 HA2 GLY 566 11.929 7.155 -15.046 760 H THR 567 H THR 567 10.708 8.952 -14.325 761 HA THR 567 HA THR 567 12.255 11.133 -13.372 762 HB THR 567 HB THR 567 10.506 11.817 -14.736 763 HG1 THR 567 HG1 THR 567 10.201 13.207 -13.154 764 HG21 THR 567 HG21 THR 567 8.953 9.689 -13.294 765 HG22 THR 567 HG22 THR 567 9.198 9.905 -15.027 766 HG23 THR 567 HG23 THR 567 8.096 10.969 -14.152 767 H SER 568 H SER 568 12.830 11.565 -11.352 768 HA SER 568 HA SER 568 10.999 11.499 -9.169 769 HB2 SER 568 HB3 SER 568 12.629 9.792 -7.928 770 HB3 SER 568 HB2 SER 568 11.222 9.241 -8.833 771 HG SER 568 HG SER 568 13.558 9.647 -10.278
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