NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
528625 | 2lex | 17732 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LEU 407 H LEU 407 2.457 10.668 2.987 2 HA LEU 407 HA LEU 407 4.007 9.559 1.776 3 HB2 LEU 407 2HB LEU 407 2.294 11.235 -0.060 4 HB3 LEU 407 1HB LEU 407 3.226 9.857 -0.610 5 HG LEU 407 HG LEU 407 1.125 8.940 -0.346 6 HD11 LEU 407 2HD1 LEU 407 2.735 7.611 0.899 7 HD12 LEU 407 3HD1 LEU 407 1.143 7.542 1.657 8 HD13 LEU 407 1HD1 LEU 407 2.408 8.554 2.354 9 HD21 LEU 407 1HD2 LEU 407 0.843 10.912 1.860 10 HD22 LEU 407 2HD2 LEU 407 -0.141 9.450 1.907 11 HD23 LEU 407 3HD2 LEU 407 -0.247 10.541 0.526 12 H LEU 408 H LEU 408 6.143 9.951 1.790 13 HA LEU 408 HA LEU 408 7.361 12.368 1.012 14 HB2 LEU 408 2HB LEU 408 8.208 9.737 1.905 15 HB3 LEU 408 1HB LEU 408 9.295 10.389 0.693 16 HG LEU 408 HG LEU 408 9.471 12.468 2.100 17 HD11 LEU 408 1HD1 LEU 408 8.914 11.712 4.614 18 HD12 LEU 408 2HD1 LEU 408 7.620 10.878 3.755 19 HD13 LEU 408 3HD1 LEU 408 7.797 12.626 3.602 20 HD21 LEU 408 3HD2 LEU 408 10.401 10.291 3.853 21 HD22 LEU 408 1HD2 LEU 408 11.295 11.621 3.118 22 HD23 LEU 408 2HD2 LEU 408 10.906 10.189 2.167 23 H ASP 409 H ASP 409 7.769 13.179 -0.930 24 HA ASP 409 HA ASP 409 7.308 11.525 -3.279 25 HB2 ASP 409 2HB ASP 409 6.261 13.748 -3.148 26 HB3 ASP 409 1HB ASP 409 7.854 14.492 -3.058 27 H ASP 410 H ASP 410 9.090 10.241 -3.501 28 HA ASP 410 HA ASP 410 11.740 11.456 -3.553 29 HB2 ASP 410 2HB ASP 410 12.546 9.124 -3.794 30 HB3 ASP 410 1HB ASP 410 11.526 9.340 -2.374 31 H GLY 411 H GLY 411 9.255 10.899 -5.711 32 HA2 GLY 411 2HA GLY 411 9.787 11.866 -7.967 33 HA3 GLY 411 1HA GLY 411 11.131 10.732 -7.989 34 H TYR 412 H TYR 412 7.619 10.717 -7.443 35 HA TYR 412 HA TYR 412 6.790 9.208 -9.553 36 HB2 TYR 412 2HB TYR 412 8.048 7.530 -7.446 37 HB3 TYR 412 1HB TYR 412 6.524 6.949 -8.103 38 HD1 TYR 412 2HD TYR 412 6.771 7.752 -10.940 39 HD2 TYR 412 1HD TYR 412 9.652 6.088 -8.288 40 HE1 TYR 412 2HE TYR 412 7.986 6.806 -12.859 41 HE2 TYR 412 1HE TYR 412 10.873 5.141 -10.199 42 HH TYR 412 HH TYR 412 11.091 5.201 -12.466 43 H ARG 413 H ARG 413 4.644 8.067 -9.100 44 HA ARG 413 HA ARG 413 3.286 9.443 -6.875 45 HB2 ARG 413 2HB ARG 413 2.664 10.018 -9.312 46 HB3 ARG 413 1HB ARG 413 1.905 8.433 -9.353 47 HG2 ARG 413 2HG ARG 413 0.355 10.315 -8.858 48 HG3 ARG 413 1HG ARG 413 0.364 9.037 -7.643 49 HD2 ARG 413 2HD ARG 413 0.407 11.504 -6.870 50 HD3 ARG 413 1HD ARG 413 1.482 10.345 -6.090 51 HE ARG 413 HE ARG 413 3.290 11.429 -7.014 52 HH11 ARG 413 1HH1 ARG 413 0.351 12.623 -8.472 53 HH12 ARG 413 2HH1 ARG 413 1.134 13.952 -9.258 54 HH21 ARG 413 1HH2 ARG 413 4.320 13.177 -8.050 55 HH22 ARG 413 2HH2 ARG 413 3.386 14.266 -9.019 56 H TRP 414 H TRP 414 2.595 8.161 -5.292 57 HA TRP 414 HA TRP 414 1.950 5.362 -5.952 58 HB2 TRP 414 2HB TRP 414 3.194 6.307 -3.370 59 HB3 TRP 414 1HB TRP 414 2.925 4.643 -3.878 60 HD1 TRP 414 HD TRP 414 5.224 7.640 -4.545 61 HE1 TRP 414 1HE TRP 414 7.341 6.791 -5.741 62 HE3 TRP 414 3HE TRP 414 3.796 2.805 -5.358 63 HZ2 TRP 414 2HZ TRP 414 8.273 4.375 -6.890 64 HZ3 TRP 414 3HZ TRP 414 5.349 1.290 -6.519 65 HH2 TRP 414 HH TRP 414 7.541 2.058 -7.265 66 H ARG 415 H ARG 415 0.199 4.447 -5.012 67 HA ARG 415 HA ARG 415 -1.484 6.201 -3.350 68 HB2 ARG 415 2HB ARG 415 -2.529 5.892 -5.492 69 HB3 ARG 415 1HB ARG 415 -2.262 4.155 -5.432 70 HG2 ARG 415 2HG ARG 415 -3.841 5.260 -3.211 71 HG3 ARG 415 1HG ARG 415 -4.592 5.361 -4.806 72 HD2 ARG 415 2HD ARG 415 -3.853 2.866 -4.998 73 HD3 ARG 415 1HD ARG 415 -3.782 2.949 -3.238 74 HE ARG 415 HE ARG 415 -6.232 3.969 -3.866 75 HH11 ARG 415 1HH1 ARG 415 -4.570 0.983 -4.571 76 HH12 ARG 415 2HH1 ARG 415 -6.023 0.043 -4.637 77 HH21 ARG 415 1HH2 ARG 415 -8.145 2.734 -3.951 78 HH22 ARG 415 2HH2 ARG 415 -8.053 1.036 -4.286 79 H LYS 416 H LYS 416 -1.197 5.512 -1.306 80 HA LYS 416 HA LYS 416 -0.410 3.042 -0.404 81 HB2 LYS 416 2HB LYS 416 -1.128 5.392 0.789 82 HB3 LYS 416 1HB LYS 416 -2.430 4.331 1.307 83 HG2 LYS 416 2HG LYS 416 0.384 3.396 1.574 84 HG3 LYS 416 1HG LYS 416 -0.249 4.574 2.725 85 HD2 LYS 416 2HD LYS 416 -1.742 2.049 2.098 86 HD3 LYS 416 1HD LYS 416 -0.456 2.076 3.302 87 HE2 LYS 416 2HE LYS 416 -2.916 3.820 3.318 88 HE3 LYS 416 1HE LYS 416 -2.669 2.386 4.312 89 HZ1 LYS 416 3HZ LYS 416 -2.097 4.142 5.696 90 HZ2 LYS 416 1HZ LYS 416 -1.298 4.996 4.473 91 HZ3 LYS 416 2HZ LYS 416 -0.595 3.605 5.131 92 H TYR 417 H TYR 417 -1.446 1.163 0.310 93 HA TYR 417 HA TYR 417 -4.295 0.911 0.125 94 HB2 TYR 417 2HB TYR 417 -4.570 -0.235 -1.815 95 HB3 TYR 417 1HB TYR 417 -3.126 0.656 -2.273 96 HD1 TYR 417 2HD TYR 417 -4.287 -2.614 -0.936 97 HD2 TYR 417 1HD TYR 417 -1.173 -0.487 -2.908 98 HE1 TYR 417 2HE TYR 417 -3.137 -4.736 -1.400 99 HE2 TYR 417 1HE TYR 417 -0.017 -2.607 -3.377 100 HH TYR 417 HH TYR 417 0.002 -4.979 -2.264 101 H GLY 418 H GLY 418 -5.002 -0.509 1.508 102 HA2 GLY 418 2HA GLY 418 -5.129 -2.507 2.697 103 HA3 GLY 418 1HA GLY 418 -3.530 -2.936 2.111 104 H GLN 419 H GLN 419 -4.055 -3.515 4.648 105 HA GLN 419 HA GLN 419 -2.049 -2.151 6.085 106 HB2 GLN 419 2HB GLN 419 -4.089 -0.537 6.128 107 HB3 GLN 419 1HB GLN 419 -4.761 -1.678 7.284 108 HG2 GLN 419 2HG GLN 419 -3.461 -0.944 8.932 109 HG3 GLN 419 1HG GLN 419 -2.025 -0.925 7.910 110 HE21 GLN 419 1HE2 GLN 419 -3.700 0.971 9.823 111 HE22 GLN 419 2HE2 GLN 419 -3.544 2.494 9.023 112 H LYS 420 H LYS 420 -1.229 -4.022 6.799 113 HA LYS 420 HA LYS 420 -2.935 -5.672 8.534 114 HB2 LYS 420 2HB LYS 420 -1.799 -6.441 6.023 115 HB3 LYS 420 1HB LYS 420 -1.027 -7.373 7.298 116 HG2 LYS 420 2HG LYS 420 -3.903 -7.232 7.636 117 HG3 LYS 420 1HG LYS 420 -3.437 -7.928 6.081 118 HD2 LYS 420 2HD LYS 420 -2.259 -8.822 8.704 119 HD3 LYS 420 1HD LYS 420 -3.693 -9.564 7.989 120 HE2 LYS 420 2HE LYS 420 -1.519 -9.316 6.081 121 HE3 LYS 420 1HE LYS 420 -1.053 -10.254 7.501 122 HZ1 LYS 420 3HZ LYS 420 -3.356 -11.381 7.047 123 HZ2 LYS 420 1HZ LYS 420 -1.968 -11.874 6.214 124 HZ3 LYS 420 2HZ LYS 420 -3.079 -10.836 5.470 125 H VAL 421 H VAL 421 -1.798 -6.883 10.151 126 HA VAL 421 HA VAL 421 0.778 -5.653 10.856 127 HB VAL 421 HB VAL 421 -1.006 -5.295 12.499 128 HG11 VAL 421 1HG1 VAL 421 -2.372 -7.231 12.110 129 HG12 VAL 421 2HG1 VAL 421 -1.861 -7.225 13.799 130 HG13 VAL 421 3HG1 VAL 421 -1.078 -8.304 12.643 131 HG21 VAL 421 3HG2 VAL 421 1.212 -7.134 13.385 132 HG22 VAL 421 1HG2 VAL 421 0.181 -6.224 14.490 133 HG23 VAL 421 2HG2 VAL 421 1.228 -5.370 13.355 134 H VAL 422 H VAL 422 2.522 -6.904 11.454 135 HA VAL 422 HA VAL 422 2.255 -9.804 10.991 136 HB VAL 422 HB VAL 422 4.621 -9.743 10.167 137 HG11 VAL 422 1HG1 VAL 422 2.378 -8.400 8.719 138 HG12 VAL 422 2HG1 VAL 422 3.083 -9.997 8.460 139 HG13 VAL 422 3HG1 VAL 422 3.964 -8.553 7.959 140 HG21 VAL 422 3HG2 VAL 422 4.185 -6.772 9.936 141 HG22 VAL 422 1HG2 VAL 422 5.641 -7.684 9.537 142 HG23 VAL 422 2HG2 VAL 422 5.132 -7.525 11.219 143 H LYS 423 H LYS 423 3.308 -11.186 12.372 144 HA LYS 423 HA LYS 423 4.139 -10.116 14.909 145 HB2 LYS 423 2HB LYS 423 4.159 -12.969 13.898 146 HB3 LYS 423 1HB LYS 423 4.374 -12.465 15.569 147 HG2 LYS 423 2HG LYS 423 2.172 -13.063 15.582 148 HG3 LYS 423 1HG LYS 423 2.036 -11.343 15.210 149 HD2 LYS 423 2HD LYS 423 1.481 -11.726 13.006 150 HD3 LYS 423 1HD LYS 423 2.272 -13.303 12.973 151 HE2 LYS 423 2HE LYS 423 0.458 -14.381 13.793 152 HE3 LYS 423 1HE LYS 423 -0.014 -13.028 14.820 153 HZ1 LYS 423 3HZ LYS 423 -0.959 -11.912 12.956 154 HZ2 LYS 423 1HZ LYS 423 -1.571 -13.488 12.968 155 HZ3 LYS 423 2HZ LYS 423 -0.356 -13.063 11.872 156 H GLY 424 H GLY 424 6.202 -11.403 15.859 157 HA2 GLY 424 2HA GLY 424 8.502 -11.597 15.810 158 HA3 GLY 424 1HA GLY 424 8.364 -11.876 14.079 159 H ASN 425 H ASN 425 6.800 -9.157 14.275 160 HA ASN 425 HA ASN 425 8.861 -7.209 14.692 161 HB2 ASN 425 2HB ASN 425 8.172 -8.217 12.000 162 HB3 ASN 425 1HB ASN 425 8.113 -6.466 12.157 163 HD21 ASN 425 1HD2 ASN 425 9.856 -6.138 10.834 164 HD22 ASN 425 2HD2 ASN 425 11.473 -6.525 11.301 165 HA PRO 426 HA PRO 426 4.120 -6.729 15.744 166 HB2 PRO 426 2HB PRO 426 5.869 -5.049 17.516 167 HB3 PRO 426 1HB PRO 426 4.319 -5.810 17.883 168 HG2 PRO 426 2HG PRO 426 6.690 -6.943 18.547 169 HG3 PRO 426 1HG PRO 426 5.248 -7.894 18.153 170 HD2 PRO 426 2HD PRO 426 7.733 -7.669 16.671 171 HD3 PRO 426 1HD PRO 426 6.349 -8.736 16.360 172 H TYR 427 H TYR 427 4.390 -5.684 13.451 173 HA TYR 427 HA TYR 427 3.776 -2.872 13.814 174 HB2 TYR 427 2HB TYR 427 6.202 -3.778 12.272 175 HB3 TYR 427 1HB TYR 427 5.418 -2.235 11.952 176 HD1 TYR 427 2HD TYR 427 7.136 -4.204 14.598 177 HD2 TYR 427 1HD TYR 427 5.851 -0.358 13.305 178 HE1 TYR 427 2HE TYR 427 8.449 -3.166 16.397 179 HE2 TYR 427 1HE TYR 427 7.158 0.689 15.104 180 HH TYR 427 HH TYR 427 9.457 -1.046 16.956 181 HA PRO 428 HA PRO 428 1.159 -3.834 10.377 182 HB2 PRO 428 2HB PRO 428 0.215 -1.393 9.821 183 HB3 PRO 428 1HB PRO 428 -0.183 -2.207 11.338 184 HG2 PRO 428 2HG PRO 428 1.807 -0.041 10.815 185 HG3 PRO 428 1HG PRO 428 0.715 -0.252 12.195 186 HD2 PRO 428 2HD PRO 428 3.398 -0.945 12.173 187 HD3 PRO 428 1HD PRO 428 2.188 -1.603 13.291 188 H ARG 429 H ARG 429 1.603 -4.239 8.300 189 HA ARG 429 HA ARG 429 3.711 -2.752 6.960 190 HB2 ARG 429 2HB ARG 429 3.320 -5.349 6.983 191 HB3 ARG 429 1HB ARG 429 2.192 -4.993 5.682 192 HG2 ARG 429 2HG ARG 429 4.507 -3.603 5.012 193 HG3 ARG 429 1HG ARG 429 5.070 -5.155 5.635 194 HD2 ARG 429 2HD ARG 429 2.785 -5.190 3.746 195 HD3 ARG 429 1HD ARG 429 4.371 -4.792 3.088 196 HE ARG 429 HE ARG 429 3.462 -7.357 3.895 197 HH11 ARG 429 1HH1 ARG 429 6.306 -5.336 3.829 198 HH12 ARG 429 2HH1 ARG 429 7.406 -6.671 3.781 199 HH21 ARG 429 1HH2 ARG 429 4.906 -9.114 3.832 200 HH22 ARG 429 2HH2 ARG 429 6.612 -8.817 3.780 201 H SER 430 H SER 430 3.449 -1.958 4.774 202 HA SER 430 HA SER 430 0.682 -1.275 4.053 203 HB2 SER 430 2HB SER 430 2.828 0.766 3.635 204 HB3 SER 430 1HB SER 430 1.097 0.993 3.880 205 HG SER 430 HG SER 430 1.568 0.168 6.093 206 H TYR 431 H TYR 431 0.250 -1.182 1.857 207 HA TYR 431 HA TYR 431 2.493 -1.955 0.104 208 HB2 TYR 431 2HB TYR 431 -0.434 -2.648 -0.220 209 HB3 TYR 431 1HB TYR 431 0.873 -3.145 -1.289 210 HD1 TYR 431 1HD TYR 431 -0.583 -3.589 2.073 211 HD2 TYR 431 2HD TYR 431 2.273 -4.997 -0.748 212 HE1 TYR 431 1HE TYR 431 -0.252 -5.617 3.428 213 HE2 TYR 431 2HE TYR 431 2.612 -7.026 0.597 214 HH TYR 431 HH TYR 431 1.386 -8.349 2.276 215 H TYR 432 H TYR 432 3.102 -0.259 -1.085 216 HA TYR 432 HA TYR 432 1.096 1.701 -1.920 217 HB2 TYR 432 2HB TYR 432 4.107 1.738 -1.814 218 HB3 TYR 432 1HB TYR 432 3.200 2.963 -2.693 219 HD1 TYR 432 2HD TYR 432 4.017 1.622 0.621 220 HD2 TYR 432 1HD TYR 432 1.906 4.635 -1.517 221 HE1 TYR 432 2HE TYR 432 3.719 2.888 2.710 222 HE2 TYR 432 1HE TYR 432 1.602 5.906 0.563 223 HH TYR 432 HH TYR 432 2.592 6.122 2.753 224 H LYS 433 H LYS 433 0.421 1.895 -3.965 225 HA LYS 433 HA LYS 433 1.794 0.282 -6.018 226 HB2 LYS 433 2HB LYS 433 -1.056 0.601 -5.316 227 HB3 LYS 433 1HB LYS 433 -0.700 0.629 -7.036 228 HG2 LYS 433 2HG LYS 433 0.624 -1.528 -6.579 229 HG3 LYS 433 1HG LYS 433 -0.281 -1.574 -5.065 230 HD2 LYS 433 2HD LYS 433 -1.818 -1.108 -7.557 231 HD3 LYS 433 1HD LYS 433 -1.171 -2.729 -7.299 232 HE2 LYS 433 2HE LYS 433 -2.430 -1.629 -4.918 233 HE3 LYS 433 1HE LYS 433 -3.538 -1.728 -6.286 234 HZ1 LYS 433 3HZ LYS 433 -3.295 -4.012 -6.420 235 HZ2 LYS 433 1HZ LYS 433 -3.309 -3.745 -4.748 236 HZ3 LYS 433 2HZ LYS 433 -1.846 -4.029 -5.549 237 H CYS 434 H CYS 434 2.831 1.518 -7.486 238 HA CYS 434 HA CYS 434 2.242 4.293 -7.785 239 HB2 CYS 434 2HB CYS 434 4.510 3.771 -8.089 240 HB3 CYS 434 1HB CYS 434 4.151 2.364 -9.079 241 H THR 435 H THR 435 1.135 5.312 -9.391 242 HA THR 435 HA THR 435 -0.171 3.592 -11.397 243 HB THR 435 HB THR 435 -2.096 5.100 -11.353 244 HG1 THR 435 1HG THR 435 -2.111 6.657 -9.528 245 HG21 THR 435 3HG2 THR 435 -3.000 4.492 -9.192 246 HG22 THR 435 1HG2 THR 435 -1.379 4.213 -8.557 247 HG23 THR 435 2HG2 THR 435 -2.029 3.159 -9.813 248 H THR 436 H THR 436 -0.530 4.534 -13.486 249 HA THR 436 HA THR 436 0.243 7.129 -14.192 250 HB THR 436 HB THR 436 2.245 5.785 -15.643 251 HG1 THR 436 1HG THR 436 2.102 4.207 -13.869 252 HG21 THR 436 3HG2 THR 436 1.966 8.161 -14.413 253 HG22 THR 436 1HG2 THR 436 3.515 7.539 -14.980 254 HG23 THR 436 2HG2 THR 436 3.063 7.365 -13.285 255 HA PRO 437 HA PRO 437 -2.207 5.907 -17.662 256 HB2 PRO 437 2HB PRO 437 -1.027 7.540 -19.583 257 HB3 PRO 437 1HB PRO 437 -2.329 8.022 -18.491 258 HG2 PRO 437 2HG PRO 437 0.609 8.505 -18.272 259 HG3 PRO 437 1HG PRO 437 -0.742 9.574 -17.848 260 HD2 PRO 437 2HD PRO 437 0.643 8.259 -15.968 261 HD3 PRO 437 1HD PRO 437 -1.110 8.506 -15.820 262 H GLY 438 H GLY 438 -1.106 3.779 -17.570 263 HA2 GLY 438 2HA GLY 438 -0.511 2.269 -19.405 264 HA3 GLY 438 1HA GLY 438 0.703 3.449 -19.877 265 H CYS 439 H CYS 439 0.697 3.368 -16.555 266 HA CYS 439 HA CYS 439 2.594 1.134 -16.425 267 HB2 CYS 439 2HB CYS 439 4.086 2.928 -16.640 268 HB3 CYS 439 1HB CYS 439 3.098 3.990 -15.650 269 H GLY 440 H GLY 440 2.911 0.219 -14.396 270 HA2 GLY 440 2HA GLY 440 1.450 1.126 -12.085 271 HA3 GLY 440 1HA GLY 440 0.755 -0.309 -12.827 272 H VAL 441 H VAL 441 3.176 0.910 -10.759 273 HA VAL 441 HA VAL 441 4.402 -1.767 -10.555 274 HB VAL 441 HB VAL 441 5.626 0.967 -10.269 275 HG11 VAL 441 1HG1 VAL 441 6.659 -1.610 -9.096 276 HG12 VAL 441 2HG1 VAL 441 6.333 -0.091 -8.257 277 HG13 VAL 441 3HG1 VAL 441 7.677 -0.200 -9.395 278 HG21 VAL 441 3HG2 VAL 441 5.929 0.177 -12.428 279 HG22 VAL 441 1HG2 VAL 441 6.150 -1.488 -11.888 280 HG23 VAL 441 2HG2 VAL 441 7.425 -0.297 -11.621 281 H ARG 442 H ARG 442 5.001 -2.462 -8.369 282 HA ARG 442 HA ARG 442 3.362 -1.124 -6.327 283 HB2 ARG 442 2HB ARG 442 4.233 -4.016 -6.354 284 HB3 ARG 442 1HB ARG 442 3.083 -3.262 -5.258 285 HG2 ARG 442 2HG ARG 442 1.994 -2.741 -7.720 286 HG3 ARG 442 1HG ARG 442 2.690 -4.350 -7.928 287 HD2 ARG 442 2HD ARG 442 1.110 -3.792 -5.469 288 HD3 ARG 442 1HD ARG 442 0.246 -4.010 -6.989 289 HE ARG 442 HE ARG 442 1.481 -6.037 -5.424 290 HH11 ARG 442 1HH1 ARG 442 0.756 -5.112 -8.710 291 HH12 ARG 442 2HH1 ARG 442 0.731 -6.741 -9.296 292 HH21 ARG 442 1HH2 ARG 442 1.449 -8.183 -6.193 293 HH22 ARG 442 2HH2 ARG 442 1.123 -8.484 -7.868 294 H LYS 443 H LYS 443 4.186 -0.900 -4.252 295 HA LYS 443 HA LYS 443 7.016 -1.516 -3.819 296 HB2 LYS 443 2HB LYS 443 7.079 0.752 -4.589 297 HB3 LYS 443 1HB LYS 443 5.728 1.205 -3.562 298 HG2 LYS 443 2HG LYS 443 7.061 1.036 -1.601 299 HG3 LYS 443 1HG LYS 443 8.389 0.295 -2.497 300 HD2 LYS 443 2HD LYS 443 9.211 2.383 -2.613 301 HD3 LYS 443 1HD LYS 443 8.007 2.617 -3.880 302 HE2 LYS 443 2HE LYS 443 6.451 3.552 -2.308 303 HE3 LYS 443 1HE LYS 443 7.516 3.165 -0.958 304 HZ1 LYS 443 3HZ LYS 443 7.744 5.298 -2.953 305 HZ2 LYS 443 1HZ LYS 443 9.168 4.655 -2.305 306 HZ3 LYS 443 2HZ LYS 443 8.014 5.353 -1.285 307 H HIS 444 H HIS 444 7.475 -2.126 -1.749 308 HA HIS 444 HA HIS 444 5.221 -2.069 0.149 309 HB2 HIS 444 2HB HIS 444 7.473 -3.955 0.592 310 HB3 HIS 444 1HB HIS 444 5.751 -4.173 0.875 311 HD1 HIS 444 1HD HIS 444 8.132 -5.772 -0.943 312 HD2 HIS 444 2HD HIS 444 4.558 -3.994 -2.096 313 HE1 HIS 444 1HE HIS 444 7.519 -6.851 -3.130 314 HE2 HIS 444 2HE HIS 444 5.409 -5.684 -3.858 315 H VAL 445 H VAL 445 5.557 -1.465 2.267 316 HA VAL 445 HA VAL 445 8.225 -0.427 2.940 317 HB VAL 445 HB VAL 445 5.626 0.967 3.600 318 HG11 VAL 445 1HG1 VAL 445 8.451 1.971 3.913 319 HG12 VAL 445 2HG1 VAL 445 7.525 1.225 5.216 320 HG13 VAL 445 3HG1 VAL 445 6.965 2.730 4.487 321 HG21 VAL 445 3HG2 VAL 445 5.912 2.395 1.841 322 HG22 VAL 445 1HG2 VAL 445 6.583 0.923 1.137 323 HG23 VAL 445 2HG2 VAL 445 7.658 2.159 1.787 324 H GLU 446 H GLU 446 8.977 -1.330 4.734 325 HA GLU 446 HA GLU 446 7.083 -2.069 6.859 326 HB2 GLU 446 2HB GLU 446 8.208 -3.942 5.268 327 HB3 GLU 446 1HB GLU 446 9.460 -3.801 6.493 328 HG2 GLU 446 2HG GLU 446 8.073 -4.563 8.183 329 HG3 GLU 446 1HG GLU 446 6.605 -4.188 7.282 330 H ARG 447 H ARG 447 7.960 -2.064 8.987 331 HA ARG 447 HA ARG 447 10.327 -0.346 9.235 332 HB2 ARG 447 2HB ARG 447 7.902 -0.785 10.934 333 HB3 ARG 447 1HB ARG 447 9.382 -0.201 11.680 334 HG2 ARG 447 2HG ARG 447 9.098 1.856 10.879 335 HG3 ARG 447 1HG ARG 447 8.694 1.266 9.266 336 HD2 ARG 447 2HD ARG 447 6.565 0.671 11.099 337 HD3 ARG 447 1HD ARG 447 6.966 2.386 11.178 338 HE ARG 447 HE ARG 447 5.736 0.989 8.987 339 HH11 ARG 447 1HH1 ARG 447 7.604 3.788 9.906 340 HH12 ARG 447 2HH1 ARG 447 7.096 4.729 8.543 341 HH21 ARG 447 1HH2 ARG 447 5.065 2.222 7.200 342 HH22 ARG 447 2HH2 ARG 447 5.653 3.839 7.006 343 H ALA 448 H ALA 448 11.699 -0.752 11.195 344 HA ALA 448 HA ALA 448 12.209 -3.629 11.399 345 HB1 ALA 448 1HB ALA 448 14.056 -2.220 10.622 346 HB2 ALA 448 2HB ALA 448 14.440 -3.017 12.150 347 HB3 ALA 448 3HB ALA 448 13.992 -1.311 12.133 348 H ALA 449 H ALA 449 11.556 -4.674 13.136 349 HA ALA 449 HA ALA 449 10.211 -3.727 15.292 350 HB1 ALA 449 1HB ALA 449 11.116 -6.184 14.518 351 HB2 ALA 449 2HB ALA 449 10.214 -5.848 15.997 352 HB3 ALA 449 3HB ALA 449 11.975 -5.934 16.038 353 H THR 450 H THR 450 13.736 -4.306 15.233 354 HA THR 450 HA THR 450 14.040 -3.042 17.820 355 HB THR 450 HB THR 450 16.589 -3.400 16.996 356 HG1 THR 450 1HG THR 450 16.611 -4.599 15.262 357 HG21 THR 450 3HG2 THR 450 15.642 -4.304 19.042 358 HG22 THR 450 1HG2 THR 450 16.508 -5.570 18.173 359 HG23 THR 450 2HG2 THR 450 14.746 -5.512 18.121 360 H ASP 451 H ASP 451 13.191 -1.501 15.332 361 HA ASP 451 HA ASP 451 14.554 0.887 15.915 362 HB2 ASP 451 2HB ASP 451 16.216 -0.582 14.467 363 HB3 ASP 451 1HB ASP 451 15.237 0.029 13.137 364 HA PRO 452 HA PRO 452 10.393 1.280 13.945 365 HB2 PRO 452 2HB PRO 452 10.352 3.635 15.733 366 HB3 PRO 452 1HB PRO 452 9.154 2.353 15.533 367 HG2 PRO 452 2HG PRO 452 10.693 2.485 17.717 368 HG3 PRO 452 1HG PRO 452 10.242 0.929 16.996 369 HD2 PRO 452 2HD PRO 452 12.824 2.431 16.805 370 HD3 PRO 452 1HD PRO 452 12.547 0.686 16.994 371 H LYS 453 H LYS 453 13.164 3.320 14.214 372 HA LYS 453 HA LYS 453 12.082 5.364 12.467 373 HB2 LYS 453 2HB LYS 453 14.076 6.575 12.848 374 HB3 LYS 453 1HB LYS 453 13.669 5.833 14.387 375 HG2 LYS 453 2HG LYS 453 15.363 4.179 14.126 376 HG3 LYS 453 1HG LYS 453 15.666 4.673 12.459 377 HD2 LYS 453 2HD LYS 453 17.372 5.788 13.477 378 HD3 LYS 453 1HD LYS 453 16.109 7.011 13.634 379 HE2 LYS 453 2HE LYS 453 17.239 6.767 15.747 380 HE3 LYS 453 1HE LYS 453 15.598 6.136 15.891 381 HZ1 LYS 453 3HZ LYS 453 17.843 4.332 15.252 382 HZ2 LYS 453 1HZ LYS 453 16.349 3.966 15.960 383 HZ3 LYS 453 2HZ LYS 453 17.533 4.779 16.854 384 H ALA 454 H ALA 454 13.760 2.399 12.135 385 HA ALA 454 HA ALA 454 14.905 3.098 9.553 386 HB1 ALA 454 1HB ALA 454 15.905 1.521 11.402 387 HB2 ALA 454 2HB ALA 454 16.141 1.172 9.690 388 HB3 ALA 454 3HB ALA 454 14.903 0.311 10.604 389 H VAL 455 H VAL 455 13.807 2.895 7.721 390 HA VAL 455 HA VAL 455 11.513 1.043 7.664 391 HB VAL 455 HB VAL 455 11.867 3.520 5.974 392 HG11 VAL 455 1HG1 VAL 455 9.529 3.187 5.396 393 HG12 VAL 455 2HG1 VAL 455 9.467 1.747 6.412 394 HG13 VAL 455 3HG1 VAL 455 10.479 1.765 4.969 395 HG21 VAL 455 3HG2 VAL 455 11.415 4.581 7.913 396 HG22 VAL 455 1HG2 VAL 455 10.754 3.133 8.674 397 HG23 VAL 455 2HG2 VAL 455 9.761 4.078 7.564 398 H VAL 456 H VAL 456 11.222 -0.282 5.909 399 HA VAL 456 HA VAL 456 13.519 -0.494 4.081 400 HB VAL 456 HB VAL 456 13.131 -2.823 3.881 401 HG11 VAL 456 1HG1 VAL 456 12.510 -2.748 6.750 402 HG12 VAL 456 2HG1 VAL 456 13.831 -1.693 6.251 403 HG13 VAL 456 3HG1 VAL 456 13.905 -3.420 5.905 404 HG21 VAL 456 3HG2 VAL 456 10.722 -2.834 3.677 405 HG22 VAL 456 1HG2 VAL 456 10.544 -2.388 5.374 406 HG23 VAL 456 2HG2 VAL 456 11.209 -3.963 4.941 407 H THR 457 H THR 457 13.171 -0.664 1.867 408 HA THR 457 HA THR 457 10.386 -0.406 0.958 409 HB THR 457 HB THR 457 12.329 1.090 -0.660 410 HG1 THR 457 1HG THR 457 11.777 1.794 2.036 411 HG21 THR 457 3HG2 THR 457 9.819 1.041 -0.917 412 HG22 THR 457 1HG2 THR 457 10.538 2.650 -0.835 413 HG23 THR 457 2HG2 THR 457 9.725 1.973 0.578 414 H THR 458 H THR 458 9.868 -1.849 -0.529 415 HA THR 458 HA THR 458 12.019 -3.017 -2.176 416 HB THR 458 HB THR 458 9.461 -4.489 -1.689 417 HG1 THR 458 1HG THR 458 11.607 -4.187 0.144 418 HG21 THR 458 3HG2 THR 458 12.313 -5.430 -1.995 419 HG22 THR 458 1HG2 THR 458 11.153 -5.292 -3.317 420 HG23 THR 458 2HG2 THR 458 10.861 -6.429 -2.002 421 H TYR 459 H TYR 459 11.841 -2.754 -4.312 422 HA TYR 459 HA TYR 459 9.293 -1.752 -5.379 423 HB2 TYR 459 2HB TYR 459 12.129 -1.512 -6.387 424 HB3 TYR 459 1HB TYR 459 10.728 -1.042 -7.344 425 HD1 TYR 459 2HD TYR 459 9.216 0.786 -6.449 426 HD2 TYR 459 1HD TYR 459 13.036 -0.059 -4.775 427 HE1 TYR 459 2HE TYR 459 9.240 3.006 -5.397 428 HE2 TYR 459 1HE TYR 459 13.067 2.159 -3.715 429 HH TYR 459 HH TYR 459 11.222 4.637 -4.578 430 H GLU 460 H GLU 460 8.095 -3.043 -6.602 431 HA GLU 460 HA GLU 460 9.394 -5.341 -7.915 432 HB2 GLU 460 2HB GLU 460 7.132 -5.217 -6.114 433 HB3 GLU 460 1HB GLU 460 6.666 -5.931 -7.651 434 HG2 GLU 460 2HG GLU 460 8.146 -7.704 -7.421 435 HG3 GLU 460 1HG GLU 460 9.112 -6.865 -6.208 436 H GLY 461 H GLY 461 9.547 -4.898 -10.025 437 HA2 GLY 461 2HA GLY 461 8.096 -4.997 -12.059 438 HA3 GLY 461 1HA GLY 461 7.205 -3.663 -11.342 439 H LYS 462 H LYS 462 7.568 -2.358 -13.152 440 HA LYS 462 HA LYS 462 10.044 -0.894 -13.061 441 HB2 LYS 462 2HB LYS 462 9.726 -2.980 -14.985 442 HB3 LYS 462 1HB LYS 462 9.692 -1.441 -15.834 443 HG2 LYS 462 2HG LYS 462 11.907 -1.491 -15.794 444 HG3 LYS 462 1HG LYS 462 11.803 -1.181 -14.061 445 HD2 LYS 462 2HD LYS 462 11.626 -3.682 -13.748 446 HD3 LYS 462 1HD LYS 462 12.046 -3.838 -15.456 447 HE2 LYS 462 2HE LYS 462 14.119 -2.541 -15.001 448 HE3 LYS 462 1HE LYS 462 13.710 -2.567 -13.286 449 HZ1 LYS 462 3HZ LYS 462 15.222 -4.409 -14.520 450 HZ2 LYS 462 1HZ LYS 462 13.706 -5.159 -14.567 451 HZ3 LYS 462 2HZ LYS 462 14.369 -4.684 -13.086 452 H HIS 463 H HIS 463 9.889 1.157 -14.054 453 HA HIS 463 HA HIS 463 7.125 1.949 -14.648 454 HB2 HIS 463 2HB HIS 463 9.485 3.707 -13.968 455 HB3 HIS 463 1HB HIS 463 7.807 4.219 -14.114 456 HD2 HIS 463 2HD HIS 463 10.128 2.352 -11.599 457 HE1 HIS 463 1HE HIS 463 6.401 3.083 -9.708 458 HE2 HIS 463 2HE HIS 463 8.733 2.166 -9.433 459 H ASN 464 H ASN 464 6.532 2.611 -16.601 460 HA ASN 464 HA ASN 464 8.645 3.047 -18.608 461 HB2 ASN 464 2HB ASN 464 6.763 2.460 -20.257 462 HB3 ASN 464 1HB ASN 464 7.450 1.146 -19.307 463 HD21 ASN 464 1HD2 ASN 464 4.679 2.171 -20.500 464 HD22 ASN 464 2HD2 ASN 464 3.573 1.639 -19.284 465 H HIS 465 H HIS 465 8.218 5.238 -17.203 466 HA HIS 465 HA HIS 465 7.115 7.063 -19.106 467 HB2 HIS 465 2HB HIS 465 5.446 8.073 -17.613 468 HB3 HIS 465 1HB HIS 465 5.057 6.398 -17.979 469 HD1 HIS 465 1HD HIS 465 6.206 8.604 -15.169 470 HD2 HIS 465 2HD HIS 465 5.034 4.676 -15.808 471 HE1 HIS 465 1HE HIS 465 5.901 7.613 -12.877 472 H ASP 466 H ASP 466 9.614 6.800 -18.275 473 HA ASP 466 HA ASP 466 11.419 7.759 -17.230 474 HB2 ASP 466 2HB ASP 466 10.128 9.547 -18.817 475 HB3 ASP 466 1HB ASP 466 10.180 10.433 -17.296 476 H LEU 467 H LEU 467 12.214 9.262 -15.481 477 HA LEU 467 HA LEU 467 10.718 8.708 -13.066 478 HB2 LEU 467 2HB LEU 467 13.459 9.220 -13.762 479 HB3 LEU 467 1HB LEU 467 12.969 10.301 -12.470 480 HG LEU 467 HG LEU 467 13.932 8.355 -11.474 481 HD11 LEU 467 1HD1 LEU 467 12.258 7.777 -9.968 482 HD12 LEU 467 2HD1 LEU 467 10.991 7.869 -11.192 483 HD13 LEU 467 3HD1 LEU 467 11.733 9.346 -10.578 484 HD21 LEU 467 3HD2 LEU 467 13.786 6.782 -13.265 485 HD22 LEU 467 1HD2 LEU 467 12.023 6.801 -13.210 486 HD23 LEU 467 2HD2 LEU 467 12.940 6.101 -11.876 487 HA PRO 468 HA PRO 468 8.878 12.828 -13.427 488 HB2 PRO 468 2HB PRO 468 7.218 12.014 -11.169 489 HB3 PRO 468 1HB PRO 468 6.738 12.398 -12.823 490 HG2 PRO 468 2HG PRO 468 6.628 9.887 -11.818 491 HG3 PRO 468 1HG PRO 468 6.945 10.223 -13.530 492 HD2 PRO 468 2HD PRO 468 8.877 9.525 -11.345 493 HD3 PRO 468 1HD PRO 468 8.816 8.947 -13.024 494 H ALA 469 H ALA 469 8.016 14.317 -11.442 495 HA ALA 469 HA ALA 469 10.408 14.909 -9.942 496 HB1 ALA 469 1HB ALA 469 7.901 16.399 -9.421 497 HB2 ALA 469 2HB ALA 469 8.584 16.510 -11.042 498 HB3 ALA 469 3HB ALA 469 9.548 16.990 -9.646 499 H5' DC 3 H5' DC 3 -6.479 15.009 -11.192 500 H5'' DC 3 H5" DC 3 -6.043 13.299 -11.015 501 H4' DC 3 H4' DC 3 -4.955 15.118 -9.506 502 H3' DC 3 H3' DC 3 -4.979 12.443 -9.240 503 H2' DC 3 H2' DC 3 -7.011 12.209 -7.994 504 H2'' DC 3 H2" DC 3 -5.852 12.350 -6.681 505 H1' DC 3 H1' DC 3 -6.297 14.673 -6.344 506 H41 DC 3 1H4 DC 3 -12.449 14.690 -4.881 507 H42 DC 3 2H4 DC 3 -12.846 13.652 -6.231 508 H5 DC 3 5H DC 3 -11.190 12.868 -7.818 509 H6 DC 3 6H DC 3 -8.829 12.923 -8.426 510 H5' DC 4 H5' DC 4 -2.744 13.450 -5.035 511 H5'' DC 4 H5" DC 4 -1.622 12.077 -4.924 512 H4' DC 4 H4' DC 4 -2.999 12.209 -2.947 513 H3' DC 4 H3' DC 4 -3.304 9.824 -4.705 514 H2' DC 4 H2' DC 4 -5.301 9.157 -3.689 515 H2'' DC 4 H2" DC 4 -4.749 9.680 -2.105 516 H1' DC 4 H1' DC 4 -5.784 11.712 -2.266 517 H41 DC 4 1H4 DC 4 -11.380 11.126 -5.139 518 H42 DC 4 2H4 DC 4 -10.656 10.439 -6.576 519 H5 DC 4 5H DC 4 -8.271 10.075 -6.802 520 H6 DC 4 6H DC 4 -6.106 10.297 -5.698 521 H5' DT 5 H5' DT 5 -3.498 10.580 -0.600 522 H5'' DT 5 H5" DT 5 -2.097 9.835 0.199 523 H4' DT 5 H4' DT 5 -3.630 10.318 1.904 524 H3' DT 5 H3' DT 5 -2.796 7.776 1.709 525 H2' DT 5 H2' DT 5 -4.592 6.844 0.447 526 H2'' DT 5 H2" DT 5 -5.217 6.598 2.073 527 H1' DT 5 H1' DT 5 -6.650 8.479 1.973 528 H3 DT 5 3H DT 5 -9.915 7.970 -1.050 529 H71 DT 5 1H7 DT 5 -6.774 5.939 -3.922 530 H72 DT 5 2H7 DT 5 -6.467 7.626 -4.400 531 H73 DT 5 3H7 DT 5 -5.254 6.735 -3.453 532 H6 DT 5 6H DT 5 -5.172 7.536 -1.280 533 H5' DT 6 H5' DT 6 -5.441 8.587 5.878 534 H5'' DT 6 H5" DT 6 -4.465 7.604 6.988 535 H4' DT 6 H4' DT 6 -6.806 7.594 7.617 536 H3' DT 6 H3' DT 6 -5.279 5.315 7.512 537 H2' DT 6 H2' DT 6 -6.191 4.351 5.538 538 H2'' DT 6 H2" DT 6 -7.373 3.761 6.699 539 H1' DT 6 H1' DT 6 -8.919 5.529 6.244 540 H3 DT 6 3H DT 6 -10.838 5.053 2.252 541 H71 DT 6 1H7 DT 6 -5.509 4.456 1.576 542 H72 DT 6 2H7 DT 6 -6.637 3.464 0.621 543 H73 DT 6 3H7 DT 6 -6.473 5.203 0.281 544 H6 DT 6 6H DT 6 -6.291 4.998 3.687 545 H5' DT 7 H5' DT 7 -9.554 4.540 9.398 546 H5'' DT 7 H5" DT 7 -9.439 3.289 10.654 547 H4' DT 7 H4' DT 7 -11.354 2.988 9.145 548 H3' DT 7 H3' DT 7 -9.582 0.939 9.938 549 H2' DT 7 H2' DT 7 -8.831 0.295 7.801 550 H2'' DT 7 H2" DT 7 -10.422 -0.443 7.676 551 H1' DT 7 H1' DT 7 -11.374 1.434 6.549 552 H3 DT 7 3H DT 7 -9.876 1.278 2.361 553 H71 DT 7 1H7 DT 7 -5.428 0.842 4.555 554 H72 DT 7 2H7 DT 7 -5.628 2.373 5.442 555 H73 DT 7 3H7 DT 7 -5.569 2.376 3.663 556 H6 DT 7 6H DT 7 -7.674 1.795 6.560 557 H5' DG 8 H5' DG 8 -14.251 -0.390 8.969 558 H5'' DG 8 H5" DG 8 -14.482 -1.412 10.403 559 H4' DG 8 H4' DG 8 -15.787 -2.199 8.504 560 H3' DG 8 H3' DG 8 -14.492 -3.869 10.151 561 H2' DG 8 H2' DG 8 -12.445 -4.112 8.938 562 H2'' DG 8 H2" DG 8 -13.364 -5.446 8.255 563 H1' DG 8 H1' DG 8 -13.953 -4.239 6.298 564 H8 DG 8 8H DG 8 -10.903 -2.954 8.242 565 H1 DG 8 1H DG 8 -10.270 -3.039 1.860 566 H21 DG 8 1H2 DG 8 -12.171 -3.573 0.909 567 H22 DG 8 2H2 DG 8 -13.617 -3.913 1.835 568 H5' DA 9 H5' DA 9 -16.032 -5.351 6.338 569 H5'' DA 9 H5" DA 9 -17.584 -6.089 6.786 570 H4' DA 9 H4' DA 9 -17.306 -6.927 4.691 571 H3' DA 9 H3' DA 9 -17.123 -8.862 6.546 572 H2' DA 9 H2' DA 9 -14.750 -9.008 6.747 573 H2'' DA 9 H2" DA 9 -15.002 -10.163 5.447 574 H1' DA 9 H1' DA 9 -14.390 -8.629 3.752 575 H8 DA 9 8H DA 9 -13.184 -7.777 7.302 576 H61 DA 9 2H6 DA 9 -8.589 -6.650 6.174 577 H62 DA 9 1H6 DA 9 -7.729 -6.510 4.657 578 H2 DA 9 2H DA 9 -10.671 -7.442 1.405 579 H5' DC 10 H5' DC 10 -17.195 -9.930 1.849 580 H5'' DC 10 H5" DC 10 -18.159 -11.419 1.803 581 H4' DC 10 H4' DC 10 -16.651 -11.179 -0.120 582 H3' DC 10 H3' DC 10 -17.157 -13.520 1.106 583 H2' DC 10 H2' DC 10 -15.288 -13.574 2.600 584 H2'' DC 10 H2" DC 10 -14.603 -14.410 1.215 585 H1' DC 10 H1' DC 10 -13.482 -12.461 0.410 586 H41 DC 10 1H4 DC 10 -9.638 -11.009 5.225 587 H42 DC 10 2H4 DC 10 -10.936 -11.149 6.387 588 H5 DC 10 5H DC 10 -13.216 -11.667 5.765 589 H6 DC 10 6H DC 10 -14.713 -12.161 3.903 590 H5' DC 11 H5' DC 11 -14.879 -15.124 -2.677 591 H5'' DC 11 H5" DC 11 -15.824 -16.480 -3.326 592 H4' DC 11 H4' DC 11 -13.732 -17.372 -2.780 593 H3' DC 11 H3' DC 11 -15.921 -18.154 -0.971 594 H2' DC 11 H2' DC 11 -14.568 -18.552 0.879 595 H2'' DC 11 H2" DC 11 -13.441 -19.460 -0.119 596 H1' DC 11 H1' DC 11 -12.029 -17.680 -0.461 597 H41 DC 11 1H4 DC 11 -11.071 -14.716 5.057 598 H42 DC 11 2H4 DC 11 -12.758 -14.861 5.490 599 H5 DC 11 5H DC 11 -14.419 -15.844 4.032 600 H6 DC 11 6H DC 11 -14.800 -16.885 1.858 601 H5' DA 12 H5' DA 12 -12.311 -19.935 -1.835 602 H5'' DA 12 H5" DA 12 -12.510 -21.368 -2.864 603 H4' DA 12 H4' DA 12 -10.413 -21.654 -1.941 604 H3' DA 12 H3' DA 12 -12.167 -23.593 -1.328 605 H2' DA 12 H2' DA 12 -12.886 -22.787 0.807 606 H2'' DA 12 H2" DA 12 -11.552 -23.823 1.295 607 H1' DA 12 H1' DA 12 -10.022 -21.999 1.494 608 H8 DA 12 8H DA 12 -13.767 -21.186 1.777 609 H61 DA 12 2H6 DA 12 -13.499 -18.248 5.639 610 H62 DA 12 1H6 DA 12 -12.161 -17.581 6.548 611 H2 DA 12 2H DA 12 -8.405 -19.115 4.634 612 H5' DT 21 H5' DT 21 -2.145 -17.710 10.669 613 H5'' DT 21 H5" DT 21 -3.844 -17.514 11.140 614 H4' DT 21 H4' DT 21 -2.771 -17.831 8.336 615 H3' DT 21 H3' DT 21 -3.448 -15.413 9.905 616 H2' DT 21 H2' DT 21 -5.151 -14.721 8.475 617 H2'' DT 21 H2" DT 21 -4.166 -15.091 7.067 618 H1' DT 21 H1' DT 21 -5.075 -17.176 6.764 619 H3 DT 21 3H DT 21 -9.515 -17.738 6.615 620 H71 DT 21 1H7 DT 21 -10.291 -14.815 10.024 621 H72 DT 21 2H7 DT 21 -8.781 -13.876 10.106 622 H73 DT 21 3H7 DT 21 -8.982 -15.327 11.118 623 H6 DT 21 6H DT 21 -6.631 -15.357 9.568 624 H5' DG 22 H5' DG 22 -2.501 -16.216 5.778 625 H5'' DG 22 H5" DG 22 -0.788 -15.747 5.825 626 H4' DG 22 H4' DG 22 -1.136 -15.986 3.578 627 H3' DG 22 H3' DG 22 -0.551 -13.476 4.213 628 H2' DG 22 H2' DG 22 -2.682 -12.487 4.478 629 H2'' DG 22 H2" DG 22 -2.557 -12.300 2.734 630 H1' DG 22 H1' DG 22 -4.068 -13.995 2.296 631 H8 DG 22 8H DG 22 -3.901 -12.936 5.948 632 H1 DG 22 1H DG 22 -9.669 -14.929 3.981 633 H21 DG 22 1H2 DG 22 -9.545 -15.779 2.003 634 H22 DG 22 2H2 DG 22 -8.074 -15.896 1.081 635 H5' DG 23 H5' DG 23 -0.892 -13.102 -0.747 636 H5'' DG 23 H5" DG 23 0.001 -11.605 -1.084 637 H4' DG 23 H4' DG 23 -2.401 -11.799 -1.922 638 H3' DG 23 H3' DG 23 -0.987 -9.510 -1.028 639 H2' DG 23 H2' DG 23 -2.418 -8.879 0.723 640 H2'' DG 23 H2" DG 23 -3.520 -8.418 -0.568 641 H1' DG 23 H1' DG 23 -4.717 -10.461 -0.504 642 H8 DG 23 8H DG 23 -2.664 -9.886 2.734 643 H1 DG 23 1H DG 23 -8.925 -11.039 3.530 644 H21 DG 23 1H2 DG 23 -9.871 -11.427 1.639 645 H22 DG 23 2H2 DG 23 -9.042 -11.425 0.110 646 H5' DT 24 H5' DT 24 -4.261 -8.875 -4.423 647 H5'' DT 24 H5" DT 24 -3.809 -7.501 -5.456 648 H4' DT 24 H4' DT 24 -6.163 -7.436 -5.090 649 H3' DT 24 H3' DT 24 -4.615 -5.278 -3.701 650 H2' DT 24 H2' DT 24 -6.575 -4.503 -2.618 651 H2'' DT 24 H2" DT 24 -7.635 -5.165 -3.854 652 H1' DT 24 H1' DT 24 -7.961 -7.030 -2.568 653 H3 DT 24 3H DT 24 -8.093 -6.732 1.868 654 H71 DT 24 1H7 DT 24 -3.391 -4.742 0.663 655 H72 DT 24 2H7 DT 24 -3.018 -6.456 0.969 656 H73 DT 24 3H7 DT 24 -3.732 -5.457 2.256 657 H6 DT 24 6H DT 24 -4.620 -6.012 -1.320 658 H5' DC 25 H5' DC 25 -7.996 -5.414 -6.006 659 H5'' DC 25 H5" DC 25 -8.284 -4.307 -7.365 660 H4' DC 25 H4' DC 25 -10.376 -5.084 -6.463 661 H3' DC 25 H3' DC 25 -9.986 -2.484 -7.032 662 H2' DC 25 H2' DC 25 -9.366 -1.713 -4.853 663 H2'' DC 25 H2" DC 25 -11.105 -1.463 -4.792 664 H1' DC 25 H1' DC 25 -11.500 -3.497 -3.604 665 H41 DC 25 1H4 DC 25 -8.236 -2.523 1.720 666 H42 DC 25 2H4 DC 25 -6.763 -2.177 0.844 667 H5 DC 25 5H DC 25 -6.628 -2.237 -1.575 668 H6 DC 25 6H DC 25 -7.874 -2.649 -3.631 669 H5' DA 26 H5' DA 26 -14.425 -3.205 -4.574 670 H5'' DA 26 H5" DA 26 -15.295 -2.454 -5.928 671 H4' DA 26 H4' DA 26 -16.368 -1.982 -3.798 672 H3' DA 26 H3' DA 26 -16.091 -0.120 -5.703 673 H2' DA 26 H2' DA 26 -14.050 0.891 -4.974 674 H2'' DA 26 H2" DA 26 -15.212 1.893 -4.118 675 H1' DA 26 H1' DA 26 -14.935 0.728 -2.067 676 H8 DA 26 8H DA 26 -12.078 0.421 -4.617 677 H61 DA 26 2H6 DA 26 -8.382 1.071 -1.525 678 H62 DA 26 1H6 DA 26 -8.288 1.220 0.216 679 H2 DA 26 2H DA 26 -12.480 0.885 1.773 680 H5' DA 27 H5' DA 27 -18.531 1.299 -1.463 681 H5'' DA 27 H5" DA 27 -19.858 1.876 -2.495 682 H4' DA 27 H4' DA 27 -19.925 3.040 -0.408 683 H3' DA 27 H3' DA 27 -20.117 4.410 -2.692 684 H2' DA 27 H2' DA 27 -17.816 4.981 -3.014 685 H2'' DA 27 H2" DA 27 -18.355 6.384 -2.102 686 H1' DA 27 H1' DA 27 -17.461 5.586 -0.057 687 H8 DA 27 8H DA 27 -15.986 4.255 -3.315 688 H61 DA 27 2H6 DA 27 -11.318 4.179 -1.963 689 H62 DA 27 1H6 DA 27 -10.508 4.442 -0.436 690 H2 DA 27 2H DA 27 -13.700 5.334 2.586 691 H5' DA 28 H5' DA 28 -18.992 6.415 0.889 692 H5'' DA 28 H5" DA 28 -20.390 7.281 1.559 693 H4' DA 28 H4' DA 28 -18.695 8.317 2.663 694 H3' DA 28 H3' DA 28 -19.872 9.976 0.871 695 H2' DA 28 H2' DA 28 -18.252 9.795 -0.884 696 H2'' DA 28 H2" DA 28 -17.600 11.160 0.010 697 H1' DA 28 H1' DA 28 -16.046 9.787 1.234 698 H8 DA 28 8H DA 28 -17.244 8.428 -2.174 699 H61 DA 28 2H6 DA 28 -12.858 7.396 -4.004 700 H62 DA 28 1H6 DA 28 -11.241 7.449 -3.341 701 H2 DA 28 2H DA 28 -11.623 8.864 0.898 702 H5' DG 29 H5' DG 29 -16.803 12.319 4.333 703 H5'' DG 29 H5" DG 29 -17.632 13.884 4.194 704 H4' DG 29 H4' DG 29 -15.104 13.826 4.676 705 H3' DG 29 H3' DG 29 -16.620 15.824 3.613 706 H2' DG 29 H2' DG 29 -16.203 15.390 1.300 707 H2'' DG 29 H2" DG 29 -14.860 16.467 1.652 708 H1' DG 29 H1' DG 29 -13.322 14.652 2.007 709 H8 DG 29 8H DG 29 -16.402 13.788 -0.161 710 H1 DG 29 1H DG 29 -10.702 12.124 -2.589 711 H21 DG 29 1H2 DG 29 -9.105 12.552 -1.148 712 H22 DG 29 2H2 DG 29 -9.425 13.250 0.423 713 H5' DG 30 H5' DG 30 -11.934 17.210 4.384 714 H5'' DG 30 H5" DG 30 -12.316 18.630 5.379 715 H4' DG 30 H4' DG 30 -10.341 19.147 4.219 716 H3' DG 30 H3' DG 30 -12.399 20.856 3.974 717 H2' DG 30 H2' DG 30 -13.316 20.048 1.917 718 H2'' DG 30 H2" DG 30 -12.209 21.272 1.309 719 H1' DG 30 H1' DG 30 -10.507 19.681 0.789 720 H8 DG 30 8H DG 30 -14.133 18.477 0.955 721 H1 DG 30 1H DG 30 -10.608 15.882 -3.733 722 H21 DG 30 1H2 DG 30 -8.506 16.466 -3.522 723 H22 DG 30 2H2 DG 30 -7.948 17.500 -2.225 Start of MODEL 2 1 H LEU 407 H LEU 407 6.707 7.858 3.590 2 HA LEU 407 HA LEU 407 5.194 6.611 1.396 3 HB2 LEU 407 2HB LEU 407 4.611 8.783 2.976 4 HB3 LEU 407 1HB LEU 407 5.445 9.527 1.626 5 HG LEU 407 HG LEU 407 3.090 7.676 1.291 6 HD11 LEU 407 2HD1 LEU 407 2.277 9.539 2.526 7 HD12 LEU 407 3HD1 LEU 407 1.819 9.787 0.840 8 HD13 LEU 407 1HD1 LEU 407 3.180 10.675 1.524 9 HD21 LEU 407 1HD2 LEU 407 3.622 7.782 -0.861 10 HD22 LEU 407 2HD2 LEU 407 4.961 8.876 -0.514 11 HD23 LEU 407 3HD2 LEU 407 3.349 9.524 -0.815 12 H LEU 408 H LEU 408 7.750 5.925 1.303 13 HA LEU 408 HA LEU 408 9.449 7.893 0.103 14 HB2 LEU 408 2HB LEU 408 9.614 4.934 0.516 15 HB3 LEU 408 1HB LEU 408 10.779 5.745 -0.511 16 HG LEU 408 HG LEU 408 10.400 6.918 2.177 17 HD11 LEU 408 1HD1 LEU 408 12.187 5.105 2.895 18 HD12 LEU 408 2HD1 LEU 408 11.295 4.123 1.732 19 HD13 LEU 408 3HD1 LEU 408 10.457 4.841 3.108 20 HD21 LEU 408 3HD2 LEU 408 12.953 6.154 0.802 21 HD22 LEU 408 1HD2 LEU 408 12.665 7.440 1.974 22 HD23 LEU 408 2HD2 LEU 408 12.049 7.594 0.330 23 H ASP 409 H ASP 409 8.438 8.715 -1.698 24 HA ASP 409 HA ASP 409 7.656 6.876 -3.828 25 HB2 ASP 409 2HB ASP 409 6.154 8.770 -3.214 26 HB3 ASP 409 1HB ASP 409 7.406 9.890 -3.742 27 H ASP 410 H ASP 410 8.517 6.978 -5.925 28 HA ASP 410 HA ASP 410 11.209 8.160 -6.035 29 HB2 ASP 410 2HB ASP 410 11.484 6.455 -7.960 30 HB3 ASP 410 1HB ASP 410 11.491 5.858 -6.304 31 H GLY 411 H GLY 411 8.424 9.272 -6.788 32 HA2 GLY 411 2HA GLY 411 8.212 11.149 -8.258 33 HA3 GLY 411 1HA GLY 411 9.322 10.362 -9.366 34 H TYR 412 H TYR 412 6.802 8.461 -7.953 35 HA TYR 412 HA TYR 412 5.257 8.661 -10.452 36 HB2 TYR 412 2HB TYR 412 5.794 6.128 -8.881 37 HB3 TYR 412 1HB TYR 412 4.840 6.248 -10.353 38 HD1 TYR 412 1HD TYR 412 6.611 8.099 -11.921 39 HD2 TYR 412 2HD TYR 412 7.513 4.683 -9.553 40 HE1 TYR 412 1HE TYR 412 8.625 7.700 -13.277 41 HE2 TYR 412 2HE TYR 412 9.529 4.274 -10.899 42 HH TYR 412 HH TYR 412 10.120 5.855 -13.855 43 H ARG 413 H ARG 413 3.142 7.030 -9.814 44 HA ARG 413 HA ARG 413 1.946 8.448 -7.529 45 HB2 ARG 413 2HB ARG 413 0.172 7.123 -9.500 46 HB3 ARG 413 1HB ARG 413 -0.031 8.649 -8.655 47 HG2 ARG 413 2HG ARG 413 2.119 8.634 -10.655 48 HG3 ARG 413 1HG ARG 413 0.498 8.393 -11.301 49 HD2 ARG 413 2HD ARG 413 0.158 10.450 -9.502 50 HD3 ARG 413 1HD ARG 413 1.741 10.784 -10.198 51 HE ARG 413 HE ARG 413 0.743 11.010 -12.318 52 HH11 ARG 413 1HH1 ARG 413 -1.618 10.418 -9.807 53 HH12 ARG 413 2HH1 ARG 413 -2.951 10.958 -10.766 54 HH21 ARG 413 1HH2 ARG 413 -1.015 11.711 -13.573 55 HH22 ARG 413 2HH2 ARG 413 -2.612 11.688 -12.901 56 H TRP 414 H TRP 414 1.902 7.179 -5.792 57 HA TRP 414 HA TRP 414 1.199 4.342 -6.163 58 HB2 TRP 414 2HB TRP 414 2.781 5.508 -3.867 59 HB3 TRP 414 1HB TRP 414 2.518 3.804 -4.224 60 HD1 TRP 414 HD TRP 414 4.425 6.861 -5.604 61 HE1 TRP 414 1HE TRP 414 6.417 6.005 -6.992 62 HE3 TRP 414 3HE TRP 414 3.425 1.849 -5.457 63 HZ2 TRP 414 2HZ TRP 414 7.428 3.532 -7.907 64 HZ3 TRP 414 3HZ TRP 414 4.955 0.307 -6.614 65 HH2 TRP 414 HH TRP 414 6.913 1.134 -7.813 66 H ARG 415 H ARG 415 -0.386 3.450 -4.928 67 HA ARG 415 HA ARG 415 -1.937 5.329 -3.277 68 HB2 ARG 415 2HB ARG 415 -3.025 4.379 -5.327 69 HB3 ARG 415 1HB ARG 415 -2.916 2.786 -4.595 70 HG2 ARG 415 2HG ARG 415 -4.214 4.915 -3.002 71 HG3 ARG 415 1HG ARG 415 -5.082 4.323 -4.419 72 HD2 ARG 415 2HD ARG 415 -3.940 2.499 -2.321 73 HD3 ARG 415 1HD ARG 415 -5.570 3.157 -2.224 74 HE ARG 415 HE ARG 415 -4.669 1.029 -3.910 75 HH11 ARG 415 1HH1 ARG 415 -7.001 3.608 -3.630 76 HH12 ARG 415 2HH1 ARG 415 -8.164 2.838 -4.657 77 HH21 ARG 415 1HH2 ARG 415 -6.197 0.012 -5.257 78 HH22 ARG 415 2HH2 ARG 415 -7.708 0.796 -5.580 79 H LYS 416 H LYS 416 -1.839 5.042 -1.165 80 HA LYS 416 HA LYS 416 -0.753 2.626 -0.013 81 HB2 LYS 416 2HB LYS 416 -0.223 4.944 0.800 82 HB3 LYS 416 1HB LYS 416 -1.870 5.050 1.402 83 HG2 LYS 416 2HG LYS 416 -1.350 2.967 2.757 84 HG3 LYS 416 1HG LYS 416 0.342 3.254 2.339 85 HD2 LYS 416 2HD LYS 416 0.496 5.102 3.655 86 HD3 LYS 416 1HD LYS 416 -1.189 5.558 3.396 87 HE2 LYS 416 2HE LYS 416 -1.897 3.748 4.892 88 HE3 LYS 416 1HE LYS 416 -0.209 3.321 5.165 89 HZ1 LYS 416 3HZ LYS 416 0.051 4.986 6.609 90 HZ2 LYS 416 1HZ LYS 416 -1.638 5.034 6.680 91 HZ3 LYS 416 2HZ LYS 416 -0.804 6.096 5.661 92 H TYR 417 H TYR 417 -2.190 0.953 -0.159 93 HA TYR 417 HA TYR 417 -4.798 1.354 1.164 94 HB2 TYR 417 2HB TYR 417 -5.751 -0.290 -0.383 95 HB3 TYR 417 1HB TYR 417 -5.061 1.078 -1.250 96 HD1 TYR 417 2HD TYR 417 -4.699 -2.489 -0.481 97 HD2 TYR 417 1HD TYR 417 -3.086 0.809 -2.627 98 HE1 TYR 417 2HE TYR 417 -3.316 -4.030 -1.807 99 HE2 TYR 417 1HE TYR 417 -1.700 -0.727 -3.950 100 HH TYR 417 HH TYR 417 -1.079 -3.833 -3.114 101 H GLY 418 H GLY 418 -5.683 -0.295 2.330 102 HA2 GLY 418 2HA GLY 418 -5.792 -2.175 3.655 103 HA3 GLY 418 1HA GLY 418 -4.551 -2.873 2.638 104 H GLN 419 H GLN 419 -5.015 -0.655 5.396 105 HA GLN 419 HA GLN 419 -2.252 -0.793 6.151 106 HB2 GLN 419 2HB GLN 419 -3.901 1.093 6.680 107 HB3 GLN 419 1HB GLN 419 -4.531 0.041 7.938 108 HG2 GLN 419 2HG GLN 419 -2.891 0.589 9.319 109 HG3 GLN 419 1HG GLN 419 -1.669 0.201 8.109 110 HE21 GLN 419 1HE2 GLN 419 -3.392 2.675 9.721 111 HE22 GLN 419 2HE2 GLN 419 -2.634 4.022 8.948 112 H LYS 420 H LYS 420 -1.521 -2.768 6.645 113 HA LYS 420 HA LYS 420 -3.063 -4.409 8.546 114 HB2 LYS 420 2HB LYS 420 -2.620 -5.466 6.363 115 HB3 LYS 420 1HB LYS 420 -0.894 -5.249 6.612 116 HG2 LYS 420 2HG LYS 420 -0.847 -7.257 7.538 117 HG3 LYS 420 1HG LYS 420 -1.791 -6.605 8.879 118 HD2 LYS 420 2HD LYS 420 -3.148 -8.336 8.240 119 HD3 LYS 420 1HD LYS 420 -3.803 -7.043 7.234 120 HE2 LYS 420 2HE LYS 420 -3.510 -9.026 5.893 121 HE3 LYS 420 1HE LYS 420 -2.351 -7.801 5.382 122 HZ1 LYS 420 3HZ LYS 420 -0.618 -9.039 6.052 123 HZ2 LYS 420 1HZ LYS 420 -1.703 -10.330 5.907 124 HZ3 LYS 420 2HZ LYS 420 -1.412 -9.635 7.421 125 H VAL 421 H VAL 421 -2.006 -5.348 10.348 126 HA VAL 421 HA VAL 421 0.583 -4.108 11.002 127 HB VAL 421 HB VAL 421 -1.231 -3.307 12.453 128 HG11 VAL 421 1HG1 VAL 421 -1.916 -6.123 12.495 129 HG12 VAL 421 2HG1 VAL 421 -2.887 -4.718 12.931 130 HG13 VAL 421 3HG1 VAL 421 -1.810 -5.447 14.120 131 HG21 VAL 421 3HG2 VAL 421 -0.199 -3.930 14.637 132 HG22 VAL 421 1HG2 VAL 421 0.960 -3.398 13.418 133 HG23 VAL 421 2HG2 VAL 421 0.784 -5.115 13.777 134 H VAL 422 H VAL 422 2.148 -5.381 12.030 135 HA VAL 422 HA VAL 422 1.638 -8.285 11.918 136 HB VAL 422 HB VAL 422 4.204 -8.413 11.636 137 HG11 VAL 422 1HG1 VAL 422 2.785 -9.163 9.893 138 HG12 VAL 422 2HG1 VAL 422 3.959 -8.080 9.146 139 HG13 VAL 422 3HG1 VAL 422 2.319 -7.515 9.466 140 HG21 VAL 422 3HG2 VAL 422 5.195 -6.501 10.458 141 HG22 VAL 422 1HG2 VAL 422 4.682 -6.069 12.090 142 HG23 VAL 422 2HG2 VAL 422 3.707 -5.587 10.703 143 H LYS 423 H LYS 423 2.229 -9.543 13.615 144 HA LYS 423 HA LYS 423 3.078 -8.173 16.050 145 HB2 LYS 423 2HB LYS 423 1.619 -10.720 15.459 146 HB3 LYS 423 1HB LYS 423 2.457 -10.542 16.995 147 HG2 LYS 423 2HG LYS 423 1.011 -8.962 17.764 148 HG3 LYS 423 1HG LYS 423 0.630 -8.364 16.149 149 HD2 LYS 423 2HD LYS 423 -0.670 -10.409 15.718 150 HD3 LYS 423 1HD LYS 423 -0.316 -10.963 17.356 151 HE2 LYS 423 2HE LYS 423 -1.434 -8.949 18.244 152 HE3 LYS 423 1HE LYS 423 -1.844 -8.478 16.594 153 HZ1 LYS 423 3HZ LYS 423 -3.213 -10.239 18.306 154 HZ2 LYS 423 1HZ LYS 423 -2.700 -11.103 16.945 155 HZ3 LYS 423 2HZ LYS 423 -3.653 -9.718 16.758 156 H GLY 424 H GLY 424 4.929 -8.612 17.048 157 HA2 GLY 424 2HA GLY 424 6.852 -10.003 17.578 158 HA3 GLY 424 1HA GLY 424 6.672 -10.759 15.991 159 H ASN 425 H ASN 425 5.910 -7.940 15.155 160 HA ASN 425 HA ASN 425 8.400 -6.479 15.150 161 HB2 ASN 425 2HB ASN 425 8.455 -7.970 13.094 162 HB3 ASN 425 1HB ASN 425 6.980 -7.173 12.554 163 HD21 ASN 425 1HD2 ASN 425 7.071 -4.902 12.109 164 HD22 ASN 425 2HD2 ASN 425 8.559 -4.177 11.609 165 HA PRO 426 HA PRO 426 3.992 -4.755 16.150 166 HB2 PRO 426 2HB PRO 426 6.135 -3.194 17.560 167 HB3 PRO 426 1HB PRO 426 4.476 -3.513 18.066 168 HG2 PRO 426 2HG PRO 426 6.512 -4.982 18.988 169 HG3 PRO 426 1HG PRO 426 4.928 -5.703 18.651 170 HD2 PRO 426 2HD PRO 426 7.473 -6.055 17.237 171 HD3 PRO 426 1HD PRO 426 6.004 -7.039 17.156 172 H TYR 427 H TYR 427 4.167 -4.164 13.740 173 HA TYR 427 HA TYR 427 4.310 -1.293 13.610 174 HB2 TYR 427 2HB TYR 427 6.341 -2.994 12.170 175 HB3 TYR 427 1HB TYR 427 5.922 -1.376 11.622 176 HD1 TYR 427 2HD TYR 427 7.387 -3.291 14.451 177 HD2 TYR 427 1HD TYR 427 6.821 0.543 12.684 178 HE1 TYR 427 2HE TYR 427 9.050 -2.341 15.988 179 HE2 TYR 427 1HE TYR 427 8.479 1.503 14.224 180 HH TYR 427 HH TYR 427 10.511 -0.450 16.188 181 HA PRO 428 HA PRO 428 1.252 -2.337 10.556 182 HB2 PRO 428 2HB PRO 428 0.493 0.129 9.865 183 HB3 PRO 428 1HB PRO 428 0.162 -0.511 11.481 184 HG2 PRO 428 2HG PRO 428 2.299 1.380 10.589 185 HG3 PRO 428 1HG PRO 428 1.313 1.418 12.061 186 HD2 PRO 428 2HD PRO 428 3.899 0.443 11.918 187 HD3 PRO 428 1HD PRO 428 2.722 0.012 13.173 188 H ARG 429 H ARG 429 1.559 -3.010 8.532 189 HA ARG 429 HA ARG 429 3.594 -1.743 6.872 190 HB2 ARG 429 2HB ARG 429 1.946 -4.217 6.319 191 HB3 ARG 429 1HB ARG 429 3.349 -3.673 5.410 192 HG2 ARG 429 2HG ARG 429 4.787 -4.583 6.855 193 HG3 ARG 429 1HG ARG 429 3.870 -4.036 8.260 194 HD2 ARG 429 2HD ARG 429 4.078 -6.569 7.846 195 HD3 ARG 429 1HD ARG 429 2.497 -5.911 8.253 196 HE ARG 429 HE ARG 429 1.843 -6.170 5.980 197 HH11 ARG 429 1HH1 ARG 429 4.983 -7.538 6.682 198 HH12 ARG 429 2HH1 ARG 429 4.964 -8.592 5.309 199 HH21 ARG 429 1HH2 ARG 429 1.827 -7.559 4.177 200 HH22 ARG 429 2HH2 ARG 429 3.178 -8.603 3.890 201 H SER 430 H SER 430 3.135 -1.251 4.611 202 HA SER 430 HA SER 430 0.317 -0.605 4.080 203 HB2 SER 430 2HB SER 430 2.682 1.244 3.692 204 HB3 SER 430 1HB SER 430 1.063 1.556 3.068 205 HG SER 430 HG SER 430 1.985 1.541 5.719 206 H TYR 431 H TYR 431 -0.347 -0.863 1.966 207 HA TYR 431 HA TYR 431 1.633 -2.117 0.196 208 HB2 TYR 431 2HB TYR 431 -1.389 -2.189 0.093 209 HB3 TYR 431 1HB TYR 431 -0.313 -3.031 -1.016 210 HD1 TYR 431 2HD TYR 431 -1.591 -2.922 2.431 211 HD2 TYR 431 1HD TYR 431 0.815 -5.052 -0.357 212 HE1 TYR 431 2HE TYR 431 -1.543 -4.852 3.955 213 HE2 TYR 431 1HE TYR 431 0.871 -6.986 1.158 214 HH TYR 431 HH TYR 431 -0.740 -7.866 3.081 215 H TYR 432 H TYR 432 2.600 -0.321 -0.710 216 HA TYR 432 HA TYR 432 0.933 1.675 -2.039 217 HB2 TYR 432 2HB TYR 432 3.840 1.432 -1.367 218 HB3 TYR 432 1HB TYR 432 3.351 2.540 -2.639 219 HD1 TYR 432 1HD TYR 432 3.269 1.827 0.951 220 HD2 TYR 432 2HD TYR 432 2.141 4.580 -2.090 221 HE1 TYR 432 1HE TYR 432 2.826 3.528 2.667 222 HE2 TYR 432 2HE TYR 432 1.687 6.289 -0.383 223 HH TYR 432 HH TYR 432 1.198 6.472 1.960 224 H LYS 433 H LYS 433 0.231 1.211 -4.052 225 HA LYS 433 HA LYS 433 2.032 -0.333 -5.797 226 HB2 LYS 433 2HB LYS 433 0.210 -1.404 -6.802 227 HB3 LYS 433 1HB LYS 433 -0.193 -1.390 -5.092 228 HG2 LYS 433 2HG LYS 433 -1.643 0.560 -5.467 229 HG3 LYS 433 1HG LYS 433 -1.261 0.493 -7.188 230 HD2 LYS 433 2HD LYS 433 -2.604 -1.691 -5.595 231 HD3 LYS 433 1HD LYS 433 -3.410 -0.578 -6.700 232 HE2 LYS 433 2HE LYS 433 -2.974 -1.949 -8.389 233 HE3 LYS 433 1HE LYS 433 -1.245 -1.756 -8.098 234 HZ1 LYS 433 3HZ LYS 433 -1.876 -3.513 -6.202 235 HZ2 LYS 433 1HZ LYS 433 -1.364 -3.960 -7.751 236 HZ3 LYS 433 2HZ LYS 433 -3.013 -3.943 -7.377 237 H CYS 434 H CYS 434 2.752 0.602 -7.573 238 HA CYS 434 HA CYS 434 1.938 3.267 -8.248 239 HB2 CYS 434 2HB CYS 434 4.259 2.781 -8.498 240 HB3 CYS 434 1HB CYS 434 3.928 1.337 -9.446 241 H THR 435 H THR 435 0.254 3.734 -9.460 242 HA THR 435 HA THR 435 -0.758 1.749 -11.367 243 HB THR 435 HB THR 435 -2.879 2.765 -11.216 244 HG1 THR 435 1HG THR 435 -3.117 4.853 -10.907 245 HG21 THR 435 3HG2 THR 435 -3.435 2.366 -9.039 246 HG22 THR 435 1HG2 THR 435 -2.132 3.373 -8.407 247 HG23 THR 435 2HG2 THR 435 -1.787 1.745 -8.989 248 H THR 436 H THR 436 -1.579 2.703 -13.495 249 HA THR 436 HA THR 436 -0.915 5.237 -14.377 250 HB THR 436 HB THR 436 1.080 4.012 -15.902 251 HG1 THR 436 1HG THR 436 1.107 2.403 -14.149 252 HG21 THR 436 3HG2 THR 436 2.432 5.721 -15.125 253 HG22 THR 436 1HG2 THR 436 1.748 5.665 -13.501 254 HG23 THR 436 2HG2 THR 436 0.818 6.367 -14.825 255 HA PRO 437 HA PRO 437 -3.334 3.832 -17.809 256 HB2 PRO 437 2HB PRO 437 -1.637 5.519 -19.560 257 HB3 PRO 437 1HB PRO 437 -3.383 5.567 -19.301 258 HG2 PRO 437 2HG PRO 437 -1.775 7.446 -18.284 259 HG3 PRO 437 1HG PRO 437 -3.202 6.869 -17.404 260 HD2 PRO 437 2HD PRO 437 -0.317 6.225 -16.972 261 HD3 PRO 437 1HD PRO 437 -1.616 6.458 -15.785 262 H GLY 438 H GLY 438 -2.247 1.686 -17.605 263 HA2 GLY 438 2HA GLY 438 -1.670 0.026 -19.267 264 HA3 GLY 438 1HA GLY 438 -0.565 1.195 -19.973 265 H CYS 439 H CYS 439 -0.309 1.448 -16.669 266 HA CYS 439 HA CYS 439 1.738 -0.649 -16.495 267 HB2 CYS 439 2HB CYS 439 3.056 1.247 -16.962 268 HB3 CYS 439 1HB CYS 439 2.079 2.284 -15.935 269 H GLY 440 H GLY 440 1.971 -1.608 -14.553 270 HA2 GLY 440 2HA GLY 440 0.613 -0.527 -12.207 271 HA3 GLY 440 1HA GLY 440 0.041 -2.077 -12.808 272 H VAL 441 H VAL 441 2.256 -0.529 -10.802 273 HA VAL 441 HA VAL 441 3.723 -3.054 -10.419 274 HB VAL 441 HB VAL 441 4.818 -0.249 -10.513 275 HG11 VAL 441 1HG1 VAL 441 5.658 -1.121 -8.437 276 HG12 VAL 441 2HG1 VAL 441 6.955 -1.168 -9.631 277 HG13 VAL 441 3HG1 VAL 441 6.096 -2.648 -9.206 278 HG21 VAL 441 3HG2 VAL 441 4.765 -1.680 -12.555 279 HG22 VAL 441 1HG2 VAL 441 5.837 -2.809 -11.728 280 HG23 VAL 441 2HG2 VAL 441 6.381 -1.167 -12.073 281 H ARG 442 H ARG 442 4.546 -3.357 -8.202 282 HA ARG 442 HA ARG 442 3.108 -1.741 -6.216 283 HB2 ARG 442 2HB ARG 442 3.274 -4.755 -6.237 284 HB3 ARG 442 1HB ARG 442 2.564 -3.784 -4.957 285 HG2 ARG 442 2HG ARG 442 0.650 -3.476 -6.078 286 HG3 ARG 442 1HG ARG 442 1.474 -3.247 -7.621 287 HD2 ARG 442 2HD ARG 442 0.733 -5.830 -6.276 288 HD3 ARG 442 1HD ARG 442 0.188 -5.220 -7.834 289 HE ARG 442 HE ARG 442 2.362 -5.685 -8.723 290 HH11 ARG 442 1HH1 ARG 442 1.807 -6.975 -5.517 291 HH12 ARG 442 2HH1 ARG 442 3.075 -8.146 -5.642 292 HH21 ARG 442 1HH2 ARG 442 4.026 -7.223 -8.874 293 HH22 ARG 442 2HH2 ARG 442 4.333 -8.286 -7.540 294 H LYS 443 H LYS 443 3.938 -1.931 -4.036 295 HA LYS 443 HA LYS 443 6.555 -3.070 -3.646 296 HB2 LYS 443 2HB LYS 443 7.770 -1.103 -3.215 297 HB3 LYS 443 1HB LYS 443 6.919 -0.783 -4.717 298 HG2 LYS 443 2HG LYS 443 5.288 0.551 -3.557 299 HG3 LYS 443 1HG LYS 443 6.022 0.142 -2.003 300 HD2 LYS 443 2HD LYS 443 7.820 1.522 -2.334 301 HD3 LYS 443 1HD LYS 443 7.747 1.373 -4.091 302 HE2 LYS 443 2HE LYS 443 5.533 2.681 -3.884 303 HE3 LYS 443 1HE LYS 443 6.107 3.104 -2.272 304 HZ1 LYS 443 3HZ LYS 443 7.902 3.508 -4.559 305 HZ2 LYS 443 1HZ LYS 443 7.800 4.368 -3.104 306 HZ3 LYS 443 2HZ LYS 443 6.644 4.612 -4.313 307 H HIS 444 H HIS 444 7.215 -2.996 -1.395 308 HA HIS 444 HA HIS 444 4.883 -2.706 0.381 309 HB2 HIS 444 2HB HIS 444 7.000 -4.763 0.167 310 HB3 HIS 444 1HB HIS 444 6.515 -4.321 1.801 311 HD1 HIS 444 1HD HIS 444 5.168 -6.331 2.447 312 HD2 HIS 444 2HD HIS 444 4.028 -4.766 -1.230 313 HE1 HIS 444 1HE HIS 444 3.090 -7.591 1.794 314 HE2 HIS 444 2HE HIS 444 2.478 -6.697 -0.480 315 H VAL 445 H VAL 445 5.113 -1.800 2.402 316 HA VAL 445 HA VAL 445 7.683 -0.504 3.004 317 HB VAL 445 HB VAL 445 5.012 0.864 3.348 318 HG11 VAL 445 1HG1 VAL 445 7.068 1.457 4.779 319 HG12 VAL 445 2HG1 VAL 445 6.190 2.763 3.982 320 HG13 VAL 445 3HG1 VAL 445 7.706 2.171 3.297 321 HG21 VAL 445 3HG2 VAL 445 7.034 1.557 1.238 322 HG22 VAL 445 1HG2 VAL 445 5.354 2.081 1.374 323 HG23 VAL 445 2HG2 VAL 445 5.726 0.412 0.934 324 H GLU 446 H GLU 446 8.347 -1.066 4.978 325 HA GLU 446 HA GLU 446 6.449 -1.252 7.168 326 HB2 GLU 446 2HB GLU 446 8.258 -3.574 7.119 327 HB3 GLU 446 1HB GLU 446 6.560 -3.478 7.566 328 HG2 GLU 446 2HG GLU 446 5.950 -3.468 5.190 329 HG3 GLU 446 1HG GLU 446 7.655 -3.618 4.768 330 H ARG 447 H ARG 447 7.633 -1.714 9.272 331 HA ARG 447 HA ARG 447 10.207 -0.291 9.221 332 HB2 ARG 447 2HB ARG 447 7.898 -0.284 11.076 333 HB3 ARG 447 1HB ARG 447 9.491 -0.137 11.805 334 HG2 ARG 447 2HG ARG 447 9.209 2.051 11.447 335 HG3 ARG 447 1HG ARG 447 9.662 1.670 9.785 336 HD2 ARG 447 2HD ARG 447 6.905 1.121 10.038 337 HD3 ARG 447 1HD ARG 447 7.189 2.688 10.794 338 HE ARG 447 HE ARG 447 8.415 2.389 8.207 339 HH11 ARG 447 1HH1 ARG 447 5.525 3.310 9.930 340 HH12 ARG 447 2HH1 ARG 447 4.937 4.324 8.656 341 HH21 ARG 447 1HH2 ARG 447 7.641 3.718 6.527 342 HH22 ARG 447 2HH2 ARG 447 6.137 4.555 6.722 343 H ALA 448 H ALA 448 11.905 -0.996 10.554 344 HA ALA 448 HA ALA 448 12.061 -3.858 10.803 345 HB1 ALA 448 1HB ALA 448 13.904 -2.093 10.142 346 HB2 ALA 448 2HB ALA 448 14.322 -3.595 10.966 347 HB3 ALA 448 3HB ALA 448 14.195 -2.093 11.882 348 H ALA 449 H ALA 449 12.036 -5.083 12.586 349 HA ALA 449 HA ALA 449 10.872 -4.057 14.966 350 HB1 ALA 449 1HB ALA 449 11.573 -6.666 13.909 351 HB2 ALA 449 2HB ALA 449 10.266 -6.199 15.002 352 HB3 ALA 449 3HB ALA 449 11.875 -6.543 15.644 353 H THR 450 H THR 450 14.039 -3.905 13.892 354 HA THR 450 HA THR 450 15.047 -3.698 16.651 355 HB THR 450 HB THR 450 17.347 -4.019 15.427 356 HG1 THR 450 1HG THR 450 16.761 -4.183 13.322 357 HG21 THR 450 3HG2 THR 450 16.969 -6.564 15.604 358 HG22 THR 450 1HG2 THR 450 15.352 -6.136 16.168 359 HG23 THR 450 2HG2 THR 450 16.771 -5.586 17.059 360 H ASP 451 H ASP 451 13.833 -1.712 14.661 361 HA ASP 451 HA ASP 451 15.336 0.529 15.408 362 HB2 ASP 451 2HB ASP 451 16.941 -0.430 13.740 363 HB3 ASP 451 1HB ASP 451 15.708 -0.222 12.500 364 HA PRO 452 HA PRO 452 10.959 1.360 14.321 365 HB2 PRO 452 2HB PRO 452 11.664 3.753 15.938 366 HB3 PRO 452 1HB PRO 452 10.255 2.693 16.050 367 HG2 PRO 452 2HG PRO 452 12.216 2.557 17.851 368 HG3 PRO 452 1HG PRO 452 11.389 1.095 17.286 369 HD2 PRO 452 2HD PRO 452 14.089 2.145 16.569 370 HD3 PRO 452 1HD PRO 452 13.548 0.467 16.778 371 H LYS 453 H LYS 453 13.876 3.205 13.899 372 HA LYS 453 HA LYS 453 12.543 5.109 12.133 373 HB2 LYS 453 2HB LYS 453 15.480 5.054 12.781 374 HB3 LYS 453 1HB LYS 453 14.512 6.411 12.227 375 HG2 LYS 453 2HG LYS 453 13.437 6.617 14.332 376 HG3 LYS 453 1HG LYS 453 14.108 5.084 14.894 377 HD2 LYS 453 2HD LYS 453 15.937 7.299 14.059 378 HD3 LYS 453 1HD LYS 453 15.188 7.330 15.656 379 HE2 LYS 453 2HE LYS 453 17.246 6.264 15.990 380 HE3 LYS 453 1HE LYS 453 16.067 4.954 15.931 381 HZ1 LYS 453 3HZ LYS 453 17.328 5.716 13.414 382 HZ2 LYS 453 1HZ LYS 453 16.878 4.185 13.979 383 HZ3 LYS 453 2HZ LYS 453 18.299 4.911 14.540 384 H ALA 454 H ALA 454 13.792 2.072 11.793 385 HA ALA 454 HA ALA 454 15.014 2.583 9.182 386 HB1 ALA 454 1HB ALA 454 15.846 0.330 9.284 387 HB2 ALA 454 2HB ALA 454 14.861 -0.012 10.707 388 HB3 ALA 454 3HB ALA 454 16.195 1.135 10.815 389 H VAL 455 H VAL 455 13.750 2.515 7.446 390 HA VAL 455 HA VAL 455 11.390 0.750 7.485 391 HB VAL 455 HB VAL 455 11.785 3.189 5.751 392 HG11 VAL 455 1HG1 VAL 455 10.204 1.351 5.014 393 HG12 VAL 455 2HG1 VAL 455 9.511 2.966 5.162 394 HG13 VAL 455 3HG1 VAL 455 9.224 1.763 6.420 395 HG21 VAL 455 3HG2 VAL 455 9.847 3.935 7.444 396 HG22 VAL 455 1HG2 VAL 455 11.554 4.281 7.720 397 HG23 VAL 455 2HG2 VAL 455 10.794 2.905 8.518 398 H VAL 456 H VAL 456 10.979 -0.586 5.741 399 HA VAL 456 HA VAL 456 13.180 -0.850 3.800 400 HB VAL 456 HB VAL 456 12.796 -3.184 3.665 401 HG11 VAL 456 1HG1 VAL 456 13.656 -2.015 5.951 402 HG12 VAL 456 2HG1 VAL 456 13.682 -3.753 5.650 403 HG13 VAL 456 3HG1 VAL 456 12.356 -3.038 6.566 404 HG21 VAL 456 3HG2 VAL 456 10.302 -2.731 5.302 405 HG22 VAL 456 1HG2 VAL 456 10.959 -4.315 4.884 406 HG23 VAL 456 2HG2 VAL 456 10.386 -3.233 3.613 407 H THR 457 H THR 457 12.720 -1.096 1.624 408 HA THR 457 HA THR 457 9.899 -0.940 0.840 409 HB THR 457 HB THR 457 11.905 0.656 -0.702 410 HG1 THR 457 1HG THR 457 10.597 1.401 1.710 411 HG21 THR 457 3HG2 THR 457 10.061 1.688 -1.624 412 HG22 THR 457 1HG2 THR 457 9.055 1.396 -0.204 413 HG23 THR 457 2HG2 THR 457 9.412 0.074 -1.319 414 H THR 458 H THR 458 9.542 -2.768 -0.231 415 HA THR 458 HA THR 458 11.633 -3.848 -1.980 416 HB THR 458 HB THR 458 9.079 -5.319 -1.628 417 HG1 THR 458 1HG THR 458 9.728 -6.045 0.442 418 HG21 THR 458 3HG2 THR 458 11.038 -6.170 -2.923 419 HG22 THR 458 1HG2 THR 458 10.531 -7.236 -1.612 420 HG23 THR 458 2HG2 THR 458 11.955 -6.214 -1.415 421 H TYR 459 H TYR 459 11.502 -3.656 -4.133 422 HA TYR 459 HA TYR 459 9.035 -2.552 -5.263 423 HB2 TYR 459 2HB TYR 459 11.907 -2.528 -6.124 424 HB3 TYR 459 1HB TYR 459 10.632 -2.253 -7.309 425 HD1 TYR 459 2HD TYR 459 8.849 -0.436 -6.592 426 HD2 TYR 459 1HD TYR 459 12.790 -0.702 -5.018 427 HE1 TYR 459 2HE TYR 459 8.738 1.930 -5.932 428 HE2 TYR 459 1HE TYR 459 12.691 1.663 -4.351 429 HH TYR 459 HH TYR 459 10.202 3.767 -5.417 430 H GLU 460 H GLU 460 7.674 -3.877 -6.227 431 HA GLU 460 HA GLU 460 8.730 -6.326 -7.482 432 HB2 GLU 460 2HB GLU 460 6.016 -5.818 -6.254 433 HB3 GLU 460 1HB GLU 460 6.470 -7.290 -7.101 434 HG2 GLU 460 2HG GLU 460 7.954 -7.941 -5.424 435 HG3 GLU 460 1HG GLU 460 8.024 -6.320 -4.734 436 H GLY 461 H GLY 461 8.933 -5.858 -9.600 437 HA2 GLY 461 2HA GLY 461 7.789 -5.899 -11.713 438 HA3 GLY 461 1HA GLY 461 6.500 -4.952 -10.989 439 H LYS 462 H LYS 462 8.303 -4.599 -13.397 440 HA LYS 462 HA LYS 462 9.730 -2.145 -12.761 441 HB2 LYS 462 2HB LYS 462 10.501 -4.017 -14.386 442 HB3 LYS 462 1HB LYS 462 9.379 -3.279 -15.520 443 HG2 LYS 462 2HG LYS 462 11.081 -1.287 -14.319 444 HG3 LYS 462 1HG LYS 462 12.031 -2.570 -15.067 445 HD2 LYS 462 2HD LYS 462 11.020 -2.221 -17.178 446 HD3 LYS 462 1HD LYS 462 9.752 -1.210 -16.483 447 HE2 LYS 462 2HE LYS 462 11.648 0.360 -15.780 448 HE3 LYS 462 1HE LYS 462 12.652 -0.559 -16.900 449 HZ1 LYS 462 3HZ LYS 462 10.083 0.548 -17.811 450 HZ2 LYS 462 1HZ LYS 462 11.467 0.181 -18.712 451 HZ3 LYS 462 2HZ LYS 462 11.441 1.551 -17.720 452 H HIS 463 H HIS 463 9.406 -0.217 -14.163 453 HA HIS 463 HA HIS 463 6.540 0.268 -14.501 454 HB2 HIS 463 2HB HIS 463 8.858 2.208 -14.404 455 HB3 HIS 463 1HB HIS 463 7.164 2.660 -14.554 456 HD2 HIS 463 2HD HIS 463 9.735 1.827 -11.846 457 HE1 HIS 463 1HE HIS 463 5.948 2.023 -9.942 458 HE2 HIS 463 2HE HIS 463 8.443 1.956 -9.609 459 H ASN 464 H ASN 464 5.622 0.622 -16.426 460 HA ASN 464 HA ASN 464 7.328 0.419 -18.787 461 HB2 ASN 464 2HB ASN 464 4.645 -0.459 -18.098 462 HB3 ASN 464 1HB ASN 464 4.668 0.402 -19.633 463 HD21 ASN 464 1HD2 ASN 464 3.988 -2.173 -19.693 464 HD22 ASN 464 2HD2 ASN 464 5.255 -3.138 -20.364 465 H HIS 465 H HIS 465 7.174 2.955 -17.297 466 HA HIS 465 HA HIS 465 6.474 4.637 -19.548 467 HB2 HIS 465 2HB HIS 465 5.157 6.185 -18.106 468 HB3 HIS 465 1HB HIS 465 4.391 4.624 -18.359 469 HD1 HIS 465 1HD HIS 465 6.284 6.542 -15.703 470 HD2 HIS 465 2HD HIS 465 3.814 3.235 -16.084 471 HE1 HIS 465 1HE HIS 465 5.763 5.820 -13.349 472 H ASP 466 H ASP 466 8.928 4.187 -18.970 473 HA ASP 466 HA ASP 466 10.825 4.855 -17.659 474 HB2 ASP 466 2HB ASP 466 10.006 6.573 -19.918 475 HB3 ASP 466 1HB ASP 466 11.281 7.218 -18.888 476 H LEU 467 H LEU 467 9.494 8.077 -18.166 477 HA LEU 467 HA LEU 467 9.110 8.440 -15.300 478 HB2 LEU 467 2HB LEU 467 11.400 9.400 -16.737 479 HB3 LEU 467 1HB LEU 467 10.442 10.767 -16.202 480 HG LEU 467 HG LEU 467 12.240 10.115 -14.617 481 HD11 LEU 467 1HD1 LEU 467 11.015 10.897 -12.923 482 HD12 LEU 467 2HD1 LEU 467 9.869 9.559 -13.011 483 HD13 LEU 467 3HD1 LEU 467 9.690 10.946 -14.086 484 HD21 LEU 467 3HD2 LEU 467 12.256 8.097 -13.471 485 HD22 LEU 467 1HD2 LEU 467 11.847 7.616 -15.120 486 HD23 LEU 467 2HD2 LEU 467 10.582 7.732 -13.894 487 HA PRO 468 HA PRO 468 5.766 10.719 -17.235 488 HB2 PRO 468 2HB PRO 468 4.249 11.055 -15.053 489 HB3 PRO 468 1HB PRO 468 4.416 9.475 -15.827 490 HG2 PRO 468 2HG PRO 468 5.741 10.531 -13.368 491 HG3 PRO 468 1HG PRO 468 5.098 8.910 -13.688 492 HD2 PRO 468 2HD PRO 468 7.767 9.614 -13.862 493 HD3 PRO 468 1HD PRO 468 7.037 8.222 -14.678 494 H ALA 469 H ALA 469 7.110 12.567 -17.688 495 HA ALA 469 HA ALA 469 7.291 14.601 -15.598 496 HB1 ALA 469 1HB ALA 469 9.213 13.944 -17.173 497 HB2 ALA 469 2HB ALA 469 8.914 15.659 -16.889 498 HB3 ALA 469 3HB ALA 469 8.359 14.902 -18.382 499 H5' DC 3 H5' DC 3 -2.731 15.855 -8.416 500 H5'' DC 3 H5" DC 3 -4.490 15.832 -8.640 501 H4' DC 3 H4' DC 3 -2.864 14.973 -6.269 502 H3' DC 3 H3' DC 3 -4.566 13.560 -8.231 503 H2' DC 3 H2' DC 3 -6.034 12.698 -6.643 504 H2'' DC 3 H2" DC 3 -4.691 12.247 -5.605 505 H1' DC 3 H1' DC 3 -4.796 14.161 -4.337 506 H41 DC 3 1H4 DC 3 -10.835 15.367 -2.878 507 H42 DC 3 2H4 DC 3 -11.375 14.951 -4.488 508 H5 DC 3 5H DC 3 -9.850 14.321 -6.265 509 H6 DC 3 6H DC 3 -7.507 13.963 -6.848 510 H5' DC 4 H5' DC 4 -1.509 11.271 -4.946 511 H5'' DC 4 H5" DC 4 -1.832 9.530 -5.087 512 H4' DC 4 H4' DC 4 -2.037 10.977 -2.807 513 H3' DC 4 H3' DC 4 -2.460 8.329 -3.430 514 H2' DC 4 H2' DC 4 -4.806 8.419 -3.813 515 H2'' DC 4 H2" DC 4 -4.824 8.241 -2.063 516 H1' DC 4 H1' DC 4 -5.048 10.593 -1.681 517 H41 DC 4 1H4 DC 4 -10.758 11.460 -4.250 518 H42 DC 4 2H4 DC 4 -10.190 11.012 -5.844 519 H5 DC 4 5H DC 4 -7.904 10.350 -6.287 520 H6 DC 4 6H DC 4 -5.706 9.991 -5.294 521 H5' DT 5 H5' DT 5 -3.732 10.037 0.490 522 H5'' DT 5 H5" DT 5 -2.445 9.452 1.567 523 H4' DT 5 H4' DT 5 -4.118 10.138 3.012 524 H3' DT 5 H3' DT 5 -3.441 7.556 3.218 525 H2' DT 5 H2' DT 5 -5.120 6.587 1.821 526 H2'' DT 5 H2" DT 5 -5.947 6.533 3.371 527 H1' DT 5 H1' DT 5 -7.235 8.476 2.923 528 H3 DT 5 3H DT 5 -10.183 7.804 -0.370 529 H71 DT 5 1H7 DT 5 -5.356 6.188 -2.152 530 H72 DT 5 2H7 DT 5 -6.835 5.336 -2.654 531 H73 DT 5 3H7 DT 5 -6.480 6.956 -3.297 532 H6 DT 5 6H DT 5 -5.476 7.127 -0.039 533 H5' DT 6 H5' DT 6 -6.394 8.368 6.498 534 H5'' DT 6 H5" DT 6 -5.887 7.984 8.156 535 H4' DT 6 H4' DT 6 -7.806 6.814 8.134 536 H3' DT 6 H3' DT 6 -5.655 5.013 7.302 537 H2' DT 6 H2' DT 6 -6.911 3.783 5.782 538 H2'' DT 6 H2" DT 6 -8.113 3.503 7.031 539 H1' DT 6 H1' DT 6 -9.473 5.262 6.382 540 H3 DT 6 3H DT 6 -11.086 5.012 2.230 541 H71 DT 6 1H7 DT 6 -5.735 4.363 1.923 542 H72 DT 6 2H7 DT 6 -6.743 3.185 1.049 543 H73 DT 6 3H7 DT 6 -6.692 4.882 0.514 544 H6 DT 6 6H DT 6 -6.683 4.672 4.029 545 H5' DT 7 H5' DT 7 -9.169 3.200 10.434 546 H5'' DT 7 H5" DT 7 -8.679 1.516 10.716 547 H4' DT 7 H4' DT 7 -11.096 2.199 9.851 548 H3' DT 7 H3' DT 7 -9.852 -0.223 10.109 549 H2' DT 7 H2' DT 7 -8.994 -0.403 7.886 550 H2'' DT 7 H2" DT 7 -10.584 -1.119 7.656 551 H1' DT 7 H1' DT 7 -11.544 0.948 6.870 552 H3 DT 7 3H DT 7 -10.141 1.175 2.653 553 H71 DT 7 1H7 DT 7 -5.663 0.967 4.113 554 H72 DT 7 2H7 DT 7 -5.772 1.520 5.801 555 H73 DT 7 3H7 DT 7 -5.902 2.694 4.470 556 H6 DT 7 6H DT 7 -7.852 1.342 6.832 557 H5' DG 8 H5' DG 8 -14.734 -1.101 9.374 558 H5'' DG 8 H5" DG 8 -14.959 -2.460 10.496 559 H4' DG 8 H4' DG 8 -16.033 -2.757 8.278 560 H3' DG 8 H3' DG 8 -14.912 -4.727 9.749 561 H2' DG 8 H2' DG 8 -12.753 -4.749 8.705 562 H2'' DG 8 H2" DG 8 -13.596 -5.945 7.731 563 H1' DG 8 H1' DG 8 -14.124 -4.354 6.002 564 H8 DG 8 8H DG 8 -11.079 -3.538 8.219 565 H1 DG 8 1H DG 8 -10.174 -2.905 1.902 566 H21 DG 8 1H2 DG 8 -12.056 -3.220 0.825 567 H22 DG 8 2H2 DG 8 -13.556 -3.583 1.648 568 H5' DA 9 H5' DA 9 -16.688 -5.696 5.363 569 H5'' DA 9 H5" DA 9 -17.809 -6.979 5.865 570 H4' DA 9 H4' DA 9 -17.323 -7.248 3.547 571 H3' DA 9 H3' DA 9 -17.136 -9.359 5.202 572 H2' DA 9 H2' DA 9 -14.779 -9.274 5.631 573 H2'' DA 9 H2" DA 9 -14.814 -10.359 4.251 574 H1' DA 9 H1' DA 9 -14.281 -8.620 2.692 575 H8 DA 9 8H DA 9 -13.296 -7.959 6.359 576 H61 DA 9 2H6 DA 9 -8.686 -6.642 5.551 577 H62 DA 9 1H6 DA 9 -7.750 -6.392 4.095 578 H2 DA 9 2H DA 9 -10.486 -7.207 0.637 579 H5' DC 10 H5' DC 10 -16.714 -10.270 0.255 580 H5'' DC 10 H5" DC 10 -17.538 -11.843 0.307 581 H4' DC 10 H4' DC 10 -15.938 -11.626 -1.552 582 H3' DC 10 H3' DC 10 -16.330 -13.890 -0.141 583 H2' DC 10 H2' DC 10 -14.535 -13.734 1.416 584 H2'' DC 10 H2" DC 10 -13.692 -14.534 0.098 585 H1' DC 10 H1' DC 10 -12.677 -12.551 -0.676 586 H41 DC 10 1H4 DC 10 -9.555 -10.339 4.382 587 H42 DC 10 2H4 DC 10 -10.948 -10.570 5.409 588 H5 DC 10 5H DC 10 -13.070 -11.401 4.605 589 H6 DC 10 6H DC 10 -14.293 -12.185 2.645 590 H5' DC 11 H5' DC 11 -13.769 -15.570 -4.026 591 H5'' DC 11 H5" DC 11 -14.532 -17.154 -4.277 592 H4' DC 11 H4' DC 11 -12.083 -17.262 -4.099 593 H3' DC 11 H3' DC 11 -13.838 -19.044 -2.912 594 H2' DC 11 H2' DC 11 -13.510 -18.388 -0.650 595 H2'' DC 11 H2" DC 11 -12.132 -19.468 -0.815 596 H1' DC 11 H1' DC 11 -10.618 -17.672 -1.341 597 H41 DC 11 1H4 DC 11 -10.663 -14.207 3.974 598 H42 DC 11 2H4 DC 11 -12.344 -14.592 4.258 599 H5 DC 11 5H DC 11 -13.688 -15.884 2.720 600 H6 DC 11 6H DC 11 -13.699 -17.060 0.586 601 H5' DA 12 H5' DA 12 -9.309 -20.187 -3.251 602 H5'' DA 12 H5" DA 12 -9.267 -21.811 -3.969 603 H4' DA 12 H4' DA 12 -7.336 -21.543 -2.609 604 H3' DA 12 H3' DA 12 -8.875 -23.729 -2.292 605 H2' DA 12 H2' DA 12 -10.193 -22.992 -0.437 606 H2'' DA 12 H2" DA 12 -8.864 -23.770 0.414 607 H1' DA 12 H1' DA 12 -7.728 -21.707 0.817 608 H8 DA 12 8H DA 12 -11.517 -21.643 0.294 609 H61 DA 12 2H6 DA 12 -12.625 -18.488 3.821 610 H62 DA 12 1H6 DA 12 -11.656 -17.500 4.891 611 H2 DA 12 2H DA 12 -7.364 -18.303 3.872 612 H5' DT 21 H5' DT 21 -4.820 -13.617 11.487 613 H5'' DT 21 H5" DT 21 -6.369 -14.046 10.737 614 H4' DT 21 H4' DT 21 -3.686 -15.143 9.900 615 H3' DT 21 H3' DT 21 -4.289 -12.563 9.409 616 H2' DT 21 H2' DT 21 -6.380 -12.884 8.283 617 H2'' DT 21 H2" DT 21 -5.276 -12.911 6.916 618 H1' DT 21 H1' DT 21 -5.208 -15.303 6.835 619 H3 DT 21 3H DT 21 -9.057 -17.017 5.391 620 H71 DT 21 1H7 DT 21 -11.617 -14.565 8.256 621 H72 DT 21 2H7 DT 21 -10.632 -13.088 8.387 622 H73 DT 21 3H7 DT 21 -10.518 -14.348 9.638 623 H6 DT 21 6H DT 21 -7.995 -13.874 8.817 624 H5' DG 22 H5' DG 22 -2.858 -14.465 5.349 625 H5'' DG 22 H5" DG 22 -1.187 -14.234 5.901 626 H4' DG 22 H4' DG 22 -0.746 -14.262 3.709 627 H3' DG 22 H3' DG 22 -0.590 -11.717 4.490 628 H2' DG 22 H2' DG 22 -2.639 -10.739 3.932 629 H2'' DG 22 H2" DG 22 -2.074 -10.808 2.269 630 H1' DG 22 H1' DG 22 -3.580 -12.435 1.746 631 H8 DG 22 8H DG 22 -3.905 -11.277 5.321 632 H1 DG 22 1H DG 22 -9.116 -14.236 3.034 633 H21 DG 22 1H2 DG 22 -8.691 -15.160 1.136 634 H22 DG 22 2H2 DG 22 -7.142 -15.097 0.344 635 H5' DG 23 H5' DG 23 0.224 -11.368 -0.420 636 H5'' DG 23 H5" DG 23 0.710 -9.676 -0.654 637 H4' DG 23 H4' DG 23 -1.415 -10.647 -1.817 638 H3' DG 23 H3' DG 23 -0.654 -8.016 -1.216 639 H2' DG 23 H2' DG 23 -2.281 -7.543 0.427 640 H2'' DG 23 H2" DG 23 -3.338 -7.381 -0.970 641 H1' DG 23 H1' DG 23 -4.154 -9.612 -0.808 642 H8 DG 23 8H DG 23 -2.540 -8.509 2.545 643 H1 DG 23 1H DG 23 -8.668 -10.376 2.829 644 H21 DG 23 1H2 DG 23 -9.364 -10.995 0.878 645 H22 DG 23 2H2 DG 23 -8.377 -10.983 -0.556 646 H5' DT 24 H5' DT 24 -4.002 -8.388 -4.014 647 H5'' DT 24 H5" DT 24 -3.887 -7.594 -5.599 648 H4' DT 24 H4' DT 24 -5.988 -6.972 -5.126 649 H3' DT 24 H3' DT 24 -4.309 -4.903 -3.760 650 H2' DT 24 H2' DT 24 -6.189 -4.043 -2.609 651 H2'' DT 24 H2" DT 24 -7.316 -4.612 -3.830 652 H1' DT 24 H1' DT 24 -7.732 -6.485 -2.584 653 H3 DT 24 3H DT 24 -7.791 -6.329 1.862 654 H71 DT 24 1H7 DT 24 -3.474 -4.213 1.603 655 H72 DT 24 2H7 DT 24 -2.758 -5.178 0.291 656 H73 DT 24 3H7 DT 24 -3.068 -5.924 1.877 657 H6 DT 24 6H DT 24 -4.368 -5.516 -1.351 658 H5' DC 25 H5' DC 25 -7.991 -4.834 -6.047 659 H5'' DC 25 H5" DC 25 -8.010 -3.570 -7.295 660 H4' DC 25 H4' DC 25 -10.255 -4.122 -6.577 661 H3' DC 25 H3' DC 25 -9.460 -1.573 -6.930 662 H2' DC 25 H2' DC 25 -8.902 -1.036 -4.666 663 H2'' DC 25 H2" DC 25 -10.593 -0.553 -4.693 664 H1' DC 25 H1' DC 25 -11.337 -2.586 -3.681 665 H41 DC 25 1H4 DC 25 -8.317 -2.539 1.875 666 H42 DC 25 2H4 DC 25 -6.781 -2.180 1.118 667 H5 DC 25 5H DC 25 -6.520 -1.954 -1.279 668 H6 DC 25 6H DC 25 -7.670 -2.047 -3.428 669 H5' DA 26 H5' DA 26 -13.805 -2.081 -5.218 670 H5'' DA 26 H5" DA 26 -14.801 -1.341 -6.488 671 H4' DA 26 H4' DA 26 -15.971 -1.157 -4.429 672 H3' DA 26 H3' DA 26 -15.685 1.025 -5.947 673 H2' DA 26 H2' DA 26 -13.708 1.935 -4.950 674 H2'' DA 26 H2" DA 26 -14.942 2.755 -4.005 675 H1' DA 26 H1' DA 26 -14.738 1.259 -2.166 676 H8 DA 26 8H DA 26 -11.740 1.400 -4.571 677 H61 DA 26 2H6 DA 26 -8.237 1.693 -1.211 678 H62 DA 26 1H6 DA 26 -8.244 1.603 0.536 679 H2 DA 26 2H DA 26 -12.500 0.956 1.787 680 H5' DA 27 H5' DA 27 -18.836 1.892 -1.779 681 H5'' DA 27 H5" DA 27 -19.849 2.812 -2.911 682 H4' DA 27 H4' DA 27 -19.974 3.633 -0.593 683 H3' DA 27 H3' DA 27 -20.057 5.230 -2.722 684 H2' DA 27 H2' DA 27 -17.725 5.691 -2.984 685 H2'' DA 27 H2" DA 27 -18.186 7.030 -1.941 686 H1' DA 27 H1' DA 27 -17.334 6.001 0.011 687 H8 DA 27 8H DA 27 -15.989 4.748 -3.344 688 H61 DA 27 2H6 DA 27 -11.325 4.293 -2.060 689 H62 DA 27 1H6 DA 27 -10.481 4.437 -0.534 690 H2 DA 27 2H DA 27 -13.570 5.420 2.564 691 H5' DA 28 H5' DA 28 -19.143 7.051 1.484 692 H5'' DA 28 H5" DA 28 -20.500 8.178 1.687 693 H4' DA 28 H4' DA 28 -18.827 8.994 3.086 694 H3' DA 28 H3' DA 28 -19.708 10.697 1.204 695 H2' DA 28 H2' DA 28 -18.014 10.295 -0.449 696 H2'' DA 28 H2" DA 28 -17.318 11.659 0.412 697 H1' DA 28 H1' DA 28 -15.911 10.259 1.765 698 H8 DA 28 8H DA 28 -17.101 8.742 -1.574 699 H61 DA 28 2H6 DA 28 -12.757 7.227 -3.160 700 H62 DA 28 1H6 DA 28 -11.161 7.217 -2.445 701 H2 DA 28 2H DA 28 -11.557 8.999 1.649 702 H5' DG 29 H5' DG 29 -17.275 13.210 4.896 703 H5'' DG 29 H5" DG 29 -16.924 14.864 4.353 704 H4' DG 29 H4' DG 29 -15.133 13.092 5.430 705 H3' DG 29 H3' DG 29 -14.998 15.726 4.767 706 H2' DG 29 H2' DG 29 -14.406 15.482 2.463 707 H2'' DG 29 H2" DG 29 -12.805 15.492 3.189 708 H1' DG 29 H1' DG 29 -12.652 13.095 3.210 709 H8 DG 29 8H DG 29 -15.646 13.648 0.823 710 H1 DG 29 1H DG 29 -10.167 11.755 -1.926 711 H21 DG 29 1H2 DG 29 -8.565 11.635 -0.433 712 H22 DG 29 2H2 DG 29 -8.829 12.021 1.253 713 H5' DG 30 H5' DG 30 -10.331 14.577 6.574 714 H5'' DG 30 H5" DG 30 -10.638 15.683 7.929 715 H4' DG 30 H4' DG 30 -8.364 15.915 7.325 716 H3' DG 30 H3' DG 30 -9.838 18.128 7.523 717 H2' DG 30 H2' DG 30 -10.540 18.352 5.250 718 H2'' DG 30 H2" DG 30 -9.074 19.321 5.215 719 H1' DG 30 H1' DG 30 -7.780 17.602 4.222 720 H8 DG 30 8H DG 30 -11.579 17.345 3.858 721 H1 DG 30 1H DG 30 -8.222 15.601 -1.320 722 H21 DG 30 1H2 DG 30 -6.073 15.560 -0.860 723 H22 DG 30 2H2 DG 30 -5.449 15.960 0.725 Start of MODEL 3 1 H LEU 407 H LEU 407 4.527 6.771 4.053 2 HA LEU 407 HA LEU 407 5.852 8.507 2.810 3 HB2 LEU 407 2HB LEU 407 3.915 6.516 1.669 4 HB3 LEU 407 1HB LEU 407 4.999 7.413 0.623 5 HG LEU 407 HG LEU 407 5.771 5.481 2.807 6 HD11 LEU 407 2HD1 LEU 407 6.089 5.437 -0.187 7 HD12 LEU 407 3HD1 LEU 407 5.063 4.384 0.788 8 HD13 LEU 407 1HD1 LEU 407 6.819 4.274 0.919 9 HD21 LEU 407 1HD2 LEU 407 8.089 6.022 1.585 10 HD22 LEU 407 2HD2 LEU 407 7.539 6.879 3.025 11 HD23 LEU 407 3HD2 LEU 407 7.310 7.596 1.428 12 H LEU 408 H LEU 408 5.787 10.346 1.653 13 HA LEU 408 HA LEU 408 3.143 11.534 1.169 14 HB2 LEU 408 2HB LEU 408 5.784 12.977 1.192 15 HB3 LEU 408 1HB LEU 408 4.179 13.678 1.269 16 HG LEU 408 HG LEU 408 4.447 11.919 3.486 17 HD11 LEU 408 1HD1 LEU 408 6.738 13.858 3.221 18 HD12 LEU 408 2HD1 LEU 408 6.860 12.098 3.198 19 HD13 LEU 408 3HD1 LEU 408 6.328 12.926 4.662 20 HD21 LEU 408 3HD2 LEU 408 4.087 13.966 4.763 21 HD22 LEU 408 1HD2 LEU 408 3.007 13.889 3.372 22 HD23 LEU 408 2HD2 LEU 408 4.430 14.930 3.328 23 H ASP 409 H ASP 409 6.215 10.750 -0.340 24 HA ASP 409 HA ASP 409 5.151 10.419 -2.893 25 HB2 ASP 409 2HB ASP 409 5.105 13.047 -2.455 26 HB3 ASP 409 1HB ASP 409 6.785 12.911 -2.964 27 H ASP 410 H ASP 410 6.534 9.242 -4.053 28 HA ASP 410 HA ASP 410 9.366 9.229 -3.232 29 HB2 ASP 410 2HB ASP 410 7.655 7.117 -3.148 30 HB3 ASP 410 1HB ASP 410 8.329 6.922 -4.764 31 H GLY 411 H GLY 411 8.229 11.056 -5.095 32 HA2 GLY 411 2HA GLY 411 9.141 12.021 -7.031 33 HA3 GLY 411 1HA GLY 411 9.950 10.499 -7.377 34 H TYR 412 H TYR 412 7.091 9.344 -6.783 35 HA TYR 412 HA TYR 412 5.941 9.940 -9.420 36 HB2 TYR 412 2HB TYR 412 6.158 7.210 -8.123 37 HB3 TYR 412 1HB TYR 412 5.382 7.546 -9.663 38 HD1 TYR 412 2HD TYR 412 7.296 9.371 -10.931 39 HD2 TYR 412 1HD TYR 412 7.973 5.856 -8.638 40 HE1 TYR 412 2HE TYR 412 9.435 9.032 -12.094 41 HE2 TYR 412 1HE TYR 412 10.114 5.505 -9.790 42 HH TYR 412 HH TYR 412 11.723 7.739 -11.393 43 H ARG 413 H ARG 413 3.667 8.301 -9.163 44 HA ARG 413 HA ARG 413 2.310 9.603 -6.899 45 HB2 ARG 413 2HB ARG 413 1.048 8.601 -9.458 46 HB3 ARG 413 1HB ARG 413 0.260 9.527 -8.189 47 HG2 ARG 413 2HG ARG 413 2.632 10.795 -9.372 48 HG3 ARG 413 1HG ARG 413 1.257 10.589 -10.460 49 HD2 ARG 413 2HD ARG 413 1.346 12.763 -9.165 50 HD3 ARG 413 1HD ARG 413 -0.163 11.856 -9.071 51 HE ARG 413 HE ARG 413 0.188 11.569 -6.830 52 HH11 ARG 413 1HH1 ARG 413 3.171 12.609 -8.309 53 HH12 ARG 413 2HH1 ARG 413 3.990 12.823 -6.798 54 HH21 ARG 413 1HH2 ARG 413 1.259 11.847 -4.846 55 HH22 ARG 413 2HH2 ARG 413 2.903 12.392 -4.831 56 H TRP 414 H TRP 414 2.186 8.181 -5.280 57 HA TRP 414 HA TRP 414 1.477 5.404 -5.924 58 HB2 TRP 414 2HB TRP 414 2.802 6.474 -3.427 59 HB3 TRP 414 1HB TRP 414 2.546 4.779 -3.840 60 HD1 TRP 414 HD TRP 414 4.643 7.820 -4.929 61 HE1 TRP 414 1HE TRP 414 6.695 6.958 -6.226 62 HE3 TRP 414 3HE TRP 414 3.427 2.871 -5.133 63 HZ2 TRP 414 2HZ TRP 414 7.655 4.486 -7.226 64 HZ3 TRP 414 3HZ TRP 414 4.950 1.321 -6.288 65 HH2 TRP 414 HH TRP 414 7.024 2.113 -7.307 66 H ARG 415 H ARG 415 -0.229 4.429 -5.010 67 HA ARG 415 HA ARG 415 -2.007 6.115 -3.389 68 HB2 ARG 415 2HB ARG 415 -2.783 5.348 -5.670 69 HB3 ARG 415 1HB ARG 415 -2.790 3.709 -5.034 70 HG2 ARG 415 2HG ARG 415 -4.592 4.095 -3.665 71 HG3 ARG 415 1HG ARG 415 -4.305 5.834 -3.600 72 HD2 ARG 415 2HD ARG 415 -5.520 4.217 -5.817 73 HD3 ARG 415 1HD ARG 415 -6.225 5.562 -4.928 74 HE ARG 415 HE ARG 415 -4.708 7.037 -6.101 75 HH11 ARG 415 1HH1 ARG 415 -5.013 3.804 -7.406 76 HH12 ARG 415 2HH1 ARG 415 -4.470 4.262 -8.982 77 HH21 ARG 415 1HH2 ARG 415 -3.991 7.625 -8.173 78 HH22 ARG 415 2HH2 ARG 415 -3.893 6.428 -9.420 79 H LYS 416 H LYS 416 -1.813 5.627 -1.298 80 HA LYS 416 HA LYS 416 -0.875 3.209 -0.228 81 HB2 LYS 416 2HB LYS 416 -0.786 5.155 1.139 82 HB3 LYS 416 1HB LYS 416 -2.498 5.479 0.923 83 HG2 LYS 416 2HG LYS 416 -2.910 3.312 2.192 84 HG3 LYS 416 1HG LYS 416 -1.200 3.377 2.627 85 HD2 LYS 416 2HD LYS 416 -3.282 5.485 3.209 86 HD3 LYS 416 1HD LYS 416 -2.571 4.368 4.376 87 HE2 LYS 416 2HE LYS 416 -1.228 6.152 4.770 88 HE3 LYS 416 1HE LYS 416 -0.326 5.447 3.431 89 HZ1 LYS 416 3HZ LYS 416 -1.398 7.994 3.582 90 HZ2 LYS 416 1HZ LYS 416 -2.344 7.169 2.446 91 HZ3 LYS 416 2HZ LYS 416 -0.668 7.267 2.240 92 H TYR 417 H TYR 417 -1.979 1.391 0.643 93 HA TYR 417 HA TYR 417 -4.838 1.313 0.641 94 HB2 TYR 417 2HB TYR 417 -5.318 -0.035 -1.183 95 HB3 TYR 417 1HB TYR 417 -4.095 1.054 -1.819 96 HD1 TYR 417 2HD TYR 417 -4.550 -2.362 -0.401 97 HD2 TYR 417 1HD TYR 417 -2.153 0.196 -2.814 98 HE1 TYR 417 2HE TYR 417 -3.201 -4.297 -1.102 99 HE2 TYR 417 1HE TYR 417 -0.801 -1.730 -3.523 100 HH TYR 417 HH TYR 417 -1.738 -4.963 -2.909 101 H GLY 418 H GLY 418 -5.699 -0.219 1.789 102 HA2 GLY 418 2HA GLY 418 -5.905 -1.916 3.316 103 HA3 GLY 418 1HA GLY 418 -4.840 -2.797 2.250 104 H GLN 419 H GLN 419 -4.917 -0.706 5.126 105 HA GLN 419 HA GLN 419 -2.117 -1.231 5.667 106 HB2 GLN 419 2HB GLN 419 -3.040 0.944 6.288 107 HB3 GLN 419 1HB GLN 419 -4.237 0.167 7.313 108 HG2 GLN 419 2HG GLN 419 -2.833 0.326 9.009 109 HG3 GLN 419 1HG GLN 419 -1.744 -0.782 8.175 110 HE21 GLN 419 1HE2 GLN 419 -2.432 2.523 8.952 111 HE22 GLN 419 2HE2 GLN 419 -0.922 3.177 8.424 112 H LYS 420 H LYS 420 -1.335 -2.662 7.174 113 HA LYS 420 HA LYS 420 -3.127 -4.066 8.951 114 HB2 LYS 420 2HB LYS 420 -2.858 -5.117 6.424 115 HB3 LYS 420 1HB LYS 420 -1.672 -6.030 7.344 116 HG2 LYS 420 2HG LYS 420 -4.266 -5.765 8.672 117 HG3 LYS 420 1HG LYS 420 -4.315 -6.641 7.140 118 HD2 LYS 420 2HD LYS 420 -2.318 -7.261 9.302 119 HD3 LYS 420 1HD LYS 420 -3.907 -8.026 9.230 120 HE2 LYS 420 2HE LYS 420 -3.354 -9.308 7.453 121 HE3 LYS 420 1HE LYS 420 -2.354 -8.052 6.724 122 HZ1 LYS 420 3HZ LYS 420 -1.616 -10.179 8.552 123 HZ2 LYS 420 1HZ LYS 420 -0.900 -8.679 8.866 124 HZ3 LYS 420 2HZ LYS 420 -0.700 -9.413 7.357 125 H VAL 421 H VAL 421 -2.046 -5.594 10.364 126 HA VAL 421 HA VAL 421 0.810 -4.965 10.705 127 HB VAL 421 HB VAL 421 0.076 -4.132 12.683 128 HG11 VAL 421 1HG1 VAL 421 -2.285 -6.007 12.645 129 HG12 VAL 421 2HG1 VAL 421 -2.285 -4.337 12.079 130 HG13 VAL 421 3HG1 VAL 421 -2.015 -4.690 13.785 131 HG21 VAL 421 3HG2 VAL 421 0.241 -5.673 14.507 132 HG22 VAL 421 1HG2 VAL 421 1.361 -6.198 13.249 133 HG23 VAL 421 2HG2 VAL 421 -0.178 -7.033 13.466 134 H VAL 422 H VAL 422 2.234 -6.639 11.150 135 HA VAL 422 HA VAL 422 1.104 -9.354 10.951 136 HB VAL 422 HB VAL 422 3.248 -9.976 9.762 137 HG11 VAL 422 1HG1 VAL 422 1.295 -9.937 8.461 138 HG12 VAL 422 2HG1 VAL 422 2.451 -8.949 7.567 139 HG13 VAL 422 3HG1 VAL 422 1.186 -8.178 8.524 140 HG21 VAL 422 3HG2 VAL 422 4.382 -8.121 8.561 141 HG22 VAL 422 1HG2 VAL 422 4.600 -8.064 10.310 142 HG23 VAL 422 2HG2 VAL 422 3.452 -6.976 9.529 143 H LYS 423 H LYS 423 2.254 -11.035 11.931 144 HA LYS 423 HA LYS 423 3.535 -10.303 14.402 145 HB2 LYS 423 2HB LYS 423 2.818 -12.955 13.149 146 HB3 LYS 423 1HB LYS 423 3.650 -12.825 14.691 147 HG2 LYS 423 2HG LYS 423 1.677 -12.693 15.679 148 HG3 LYS 423 1HG LYS 423 1.430 -11.134 14.890 149 HD2 LYS 423 2HD LYS 423 0.812 -12.897 12.892 150 HD3 LYS 423 1HD LYS 423 0.231 -13.746 14.326 151 HE2 LYS 423 2HE LYS 423 -1.167 -11.911 14.936 152 HE3 LYS 423 1HE LYS 423 -0.449 -10.880 13.697 153 HZ1 LYS 423 3HZ LYS 423 -2.527 -12.873 13.464 154 HZ2 LYS 423 1HZ LYS 423 -1.350 -12.958 12.249 155 HZ3 LYS 423 2HZ LYS 423 -2.208 -11.522 12.497 156 H GLY 424 H GLY 424 5.465 -12.082 14.911 157 HA2 GLY 424 2HA GLY 424 7.669 -12.635 14.498 158 HA3 GLY 424 1HA GLY 424 7.310 -12.501 12.781 159 H ASN 425 H ASN 425 6.326 -9.731 13.202 160 HA ASN 425 HA ASN 425 8.646 -8.208 13.983 161 HB2 ASN 425 2HB ASN 425 9.210 -8.666 11.673 162 HB3 ASN 425 1HB ASN 425 7.580 -8.259 11.145 163 HD21 ASN 425 1HD2 ASN 425 8.096 -6.634 9.783 164 HD22 ASN 425 2HD2 ASN 425 8.802 -5.139 10.284 165 HA PRO 426 HA PRO 426 4.188 -6.996 15.306 166 HB2 PRO 426 2HB PRO 426 6.282 -5.707 17.033 167 HB3 PRO 426 1HB PRO 426 4.662 -6.249 17.469 168 HG2 PRO 426 2HG PRO 426 6.845 -7.762 17.934 169 HG3 PRO 426 1HG PRO 426 5.271 -8.471 17.537 170 HD2 PRO 426 2HD PRO 426 7.717 -8.437 15.952 171 HD3 PRO 426 1HD PRO 426 6.221 -9.349 15.676 172 H TYR 427 H TYR 427 4.438 -5.870 13.089 173 HA TYR 427 HA TYR 427 4.343 -3.016 13.639 174 HB2 TYR 427 2HB TYR 427 6.442 -4.180 11.820 175 HB3 TYR 427 1HB TYR 427 5.919 -2.505 11.701 176 HD1 TYR 427 2HD TYR 427 7.474 -4.979 14.003 177 HD2 TYR 427 1HD TYR 427 6.776 -0.867 13.161 178 HE1 TYR 427 2HE TYR 427 9.088 -4.355 15.744 179 HE2 TYR 427 1HE TYR 427 8.388 -0.233 14.906 180 HH TYR 427 HH TYR 427 10.490 -2.504 16.377 181 HA PRO 428 HA PRO 428 1.329 -3.229 10.407 182 HB2 PRO 428 2HB PRO 428 0.711 -0.642 10.223 183 HB3 PRO 428 1HB PRO 428 0.348 -1.561 11.690 184 HG2 PRO 428 2HG PRO 428 2.590 0.340 11.149 185 HG3 PRO 428 1HG PRO 428 1.611 0.153 12.614 186 HD2 PRO 428 2HD PRO 428 4.134 -0.927 12.246 187 HD3 PRO 428 1HD PRO 428 2.941 -1.516 13.417 188 H ARG 429 H ARG 429 1.614 -3.508 8.292 189 HA ARG 429 HA ARG 429 3.626 -1.883 6.904 190 HB2 ARG 429 2HB ARG 429 3.288 -3.725 5.104 191 HB3 ARG 429 1HB ARG 429 4.217 -4.094 6.548 192 HG2 ARG 429 2HG ARG 429 2.070 -5.049 7.508 193 HG3 ARG 429 1HG ARG 429 1.416 -4.936 5.873 194 HD2 ARG 429 2HD ARG 429 4.021 -6.166 5.857 195 HD3 ARG 429 1HD ARG 429 2.941 -7.012 6.962 196 HE ARG 429 HE ARG 429 1.487 -6.658 4.664 197 HH11 ARG 429 1HH1 ARG 429 4.520 -8.178 5.492 198 HH12 ARG 429 2HH1 ARG 429 4.405 -9.371 4.242 199 HH21 ARG 429 1HH2 ARG 429 1.336 -8.228 3.022 200 HH22 ARG 429 2HH2 ARG 429 2.597 -9.400 2.840 201 H SER 430 H SER 430 3.181 -1.122 4.748 202 HA SER 430 HA SER 430 0.315 -0.737 4.187 203 HB2 SER 430 2HB SER 430 2.464 1.348 3.737 204 HB3 SER 430 1HB SER 430 0.722 1.552 3.537 205 HG SER 430 HG SER 430 0.646 0.984 5.871 206 H TYR 431 H TYR 431 -0.267 -0.613 1.963 207 HA TYR 431 HA TYR 431 1.836 -1.652 0.179 208 HB2 TYR 431 2HB TYR 431 -1.142 -2.009 -0.168 209 HB3 TYR 431 1HB TYR 431 0.154 -2.869 -1.000 210 HD1 TYR 431 1HD TYR 431 1.851 -4.075 0.704 211 HD2 TYR 431 2HD TYR 431 -2.217 -3.158 1.531 212 HE1 TYR 431 1HE TYR 431 1.818 -5.820 2.437 213 HE2 TYR 431 2HE TYR 431 -2.262 -4.897 3.267 214 HH TYR 431 HH TYR 431 -0.955 -7.061 3.740 215 H TYR 432 H TYR 432 2.635 0.051 -0.900 216 HA TYR 432 HA TYR 432 0.797 2.050 -2.012 217 HB2 TYR 432 2HB TYR 432 3.799 2.023 -1.669 218 HB3 TYR 432 1HB TYR 432 2.933 3.296 -2.522 219 HD1 TYR 432 2HD TYR 432 1.506 4.852 -1.308 220 HD2 TYR 432 1HD TYR 432 3.724 1.853 0.733 221 HE1 TYR 432 2HE TYR 432 1.142 6.039 0.818 222 HE2 TYR 432 1HE TYR 432 3.374 3.029 2.866 223 HH TYR 432 HH TYR 432 2.235 6.200 3.046 224 H LYS 433 H LYS 433 0.223 1.948 -4.100 225 HA LYS 433 HA LYS 433 2.003 0.474 -5.933 226 HB2 LYS 433 2HB LYS 433 0.001 -0.099 -7.253 227 HB3 LYS 433 1HB LYS 433 -0.063 -0.744 -5.618 228 HG2 LYS 433 2HG LYS 433 -1.404 1.435 -5.115 229 HG3 LYS 433 1HG LYS 433 -1.671 1.433 -6.861 230 HD2 LYS 433 2HD LYS 433 -2.297 -0.850 -4.992 231 HD3 LYS 433 1HD LYS 433 -3.478 0.288 -5.644 232 HE2 LYS 433 2HE LYS 433 -3.700 -0.996 -7.442 233 HE3 LYS 433 1HE LYS 433 -1.998 -0.742 -7.826 234 HZ1 LYS 433 3HZ LYS 433 -2.839 -3.125 -7.510 235 HZ2 LYS 433 1HZ LYS 433 -2.805 -2.782 -5.854 236 HZ3 LYS 433 2HZ LYS 433 -1.384 -2.690 -6.765 237 H CYS 434 H CYS 434 2.880 1.601 -7.518 238 HA CYS 434 HA CYS 434 2.103 4.338 -7.971 239 HB2 CYS 434 2HB CYS 434 4.446 3.931 -7.997 240 HB3 CYS 434 1HB CYS 434 4.277 2.580 -9.109 241 H THR 435 H THR 435 0.591 4.940 -9.348 242 HA THR 435 HA THR 435 -0.145 3.144 -11.553 243 HB THR 435 HB THR 435 -2.283 4.111 -11.583 244 HG1 THR 435 1HG THR 435 -1.078 6.275 -10.193 245 HG21 THR 435 3HG2 THR 435 -2.926 3.200 -9.653 246 HG22 THR 435 1HG2 THR 435 -2.306 4.589 -8.758 247 HG23 THR 435 2HG2 THR 435 -1.250 3.221 -9.107 248 H THR 436 H THR 436 -0.929 4.417 -13.585 249 HA THR 436 HA THR 436 -0.043 6.982 -14.149 250 HB THR 436 HB THR 436 1.747 5.491 -15.838 251 HG1 THR 436 1HG THR 436 1.836 4.088 -13.961 252 HG21 THR 436 3HG2 THR 436 2.980 7.351 -15.591 253 HG22 THR 436 1HG2 THR 436 2.937 7.251 -13.830 254 HG23 THR 436 2HG2 THR 436 1.594 7.989 -14.705 255 HA PRO 437 HA PRO 437 -2.456 6.344 -17.770 256 HB2 PRO 437 2HB PRO 437 -0.255 6.898 -19.674 257 HB3 PRO 437 1HB PRO 437 -1.803 7.712 -19.472 258 HG2 PRO 437 2HG PRO 437 0.521 8.814 -18.659 259 HG3 PRO 437 1HG PRO 437 -1.020 9.113 -17.837 260 HD2 PRO 437 2HD PRO 437 1.269 7.399 -17.013 261 HD3 PRO 437 1HD PRO 437 0.117 8.308 -16.013 262 H GLY 438 H GLY 438 0.810 5.110 -18.453 263 HA2 GLY 438 2HA GLY 438 -0.453 2.566 -19.269 264 HA3 GLY 438 1HA GLY 438 0.908 3.256 -20.143 265 H CYS 439 H CYS 439 0.685 3.381 -16.656 266 HA CYS 439 HA CYS 439 2.588 1.168 -16.435 267 HB2 CYS 439 2HB CYS 439 4.131 2.899 -16.500 268 HB3 CYS 439 1HB CYS 439 3.073 4.013 -15.656 269 H GLY 440 H GLY 440 2.732 0.181 -14.463 270 HA2 GLY 440 2HA GLY 440 1.134 1.040 -12.212 271 HA3 GLY 440 1HA GLY 440 0.520 -0.395 -13.026 272 H VAL 441 H VAL 441 2.687 0.783 -10.705 273 HA VAL 441 HA VAL 441 3.966 -1.868 -10.516 274 HB VAL 441 HB VAL 441 5.181 0.863 -10.177 275 HG11 VAL 441 1HG1 VAL 441 5.801 -0.224 -8.143 276 HG12 VAL 441 2HG1 VAL 441 7.193 -0.281 -9.224 277 HG13 VAL 441 3HG1 VAL 441 6.194 -1.717 -8.995 278 HG21 VAL 441 3HG2 VAL 441 5.287 -0.315 -12.360 279 HG22 VAL 441 1HG2 VAL 441 6.194 -1.606 -11.568 280 HG23 VAL 441 2HG2 VAL 441 6.870 0.022 -11.658 281 H ARG 442 H ARG 442 4.469 -2.582 -8.336 282 HA ARG 442 HA ARG 442 2.823 -1.221 -6.310 283 HB2 ARG 442 2HB ARG 442 3.206 -4.116 -6.939 284 HB3 ARG 442 1HB ARG 442 2.876 -3.642 -5.277 285 HG2 ARG 442 2HG ARG 442 0.738 -3.031 -5.724 286 HG3 ARG 442 1HG ARG 442 1.110 -2.525 -7.372 287 HD2 ARG 442 2HD ARG 442 1.131 -5.411 -6.530 288 HD3 ARG 442 1HD ARG 442 -0.330 -4.603 -7.094 289 HE ARG 442 HE ARG 442 0.605 -4.445 -9.239 290 HH11 ARG 442 1HH1 ARG 442 2.763 -6.053 -7.006 291 HH12 ARG 442 2HH1 ARG 442 3.752 -6.721 -8.259 292 HH21 ARG 442 1HH2 ARG 442 1.910 -5.322 -10.876 293 HH22 ARG 442 2HH2 ARG 442 3.270 -6.307 -10.453 294 H LYS 443 H LYS 443 3.583 -1.177 -4.170 295 HA LYS 443 HA LYS 443 6.359 -1.978 -3.712 296 HB2 LYS 443 2HB LYS 443 6.518 0.325 -4.455 297 HB3 LYS 443 1HB LYS 443 5.285 0.817 -3.305 298 HG2 LYS 443 2HG LYS 443 6.731 0.460 -1.465 299 HG3 LYS 443 1HG LYS 443 7.915 -0.375 -2.475 300 HD2 LYS 443 2HD LYS 443 8.948 1.592 -2.687 301 HD3 LYS 443 1HD LYS 443 7.601 2.085 -3.713 302 HE2 LYS 443 2HE LYS 443 6.746 3.450 -2.147 303 HE3 LYS 443 1HE LYS 443 7.089 2.324 -0.835 304 HZ1 LYS 443 3HZ LYS 443 8.421 4.648 -1.352 305 HZ2 LYS 443 1HZ LYS 443 9.470 3.458 -1.938 306 HZ3 LYS 443 2HZ LYS 443 8.948 3.408 -0.331 307 H HIS 444 H HIS 444 6.728 -2.712 -1.692 308 HA HIS 444 HA HIS 444 4.516 -2.479 0.241 309 HB2 HIS 444 2HB HIS 444 6.569 -4.669 -0.127 310 HB3 HIS 444 1HB HIS 444 5.441 -4.595 1.223 311 HD1 HIS 444 1HD HIS 444 5.401 -4.876 -2.559 312 HD2 HIS 444 2HD HIS 444 3.014 -5.724 0.732 313 HE1 HIS 444 1HE HIS 444 3.438 -6.160 -3.466 314 HE2 HIS 444 2HE HIS 444 1.959 -6.574 -1.470 315 H VAL 445 H VAL 445 4.904 -1.543 2.158 316 HA VAL 445 HA VAL 445 7.696 -0.855 2.795 317 HB VAL 445 HB VAL 445 5.159 0.554 3.647 318 HG11 VAL 445 1HG1 VAL 445 6.575 2.256 4.581 319 HG12 VAL 445 2HG1 VAL 445 8.024 1.415 4.024 320 HG13 VAL 445 3HG1 VAL 445 7.017 0.699 5.283 321 HG21 VAL 445 3HG2 VAL 445 5.352 1.933 1.888 322 HG22 VAL 445 1HG2 VAL 445 6.307 0.631 1.180 323 HG23 VAL 445 2HG2 VAL 445 7.111 1.977 1.987 324 H GLU 446 H GLU 446 8.564 -1.871 4.467 325 HA GLU 446 HA GLU 446 6.875 -2.600 6.754 326 HB2 GLU 446 2HB GLU 446 8.575 -4.402 5.085 327 HB3 GLU 446 1HB GLU 446 8.461 -4.712 6.812 328 HG2 GLU 446 2HG GLU 446 5.883 -4.267 5.528 329 HG3 GLU 446 1HG GLU 446 6.762 -5.661 4.903 330 H ARG 447 H ARG 447 7.999 -2.772 8.752 331 HA ARG 447 HA ARG 447 10.565 -1.338 8.740 332 HB2 ARG 447 2HB ARG 447 8.248 -1.409 10.581 333 HB3 ARG 447 1HB ARG 447 9.833 -1.301 11.337 334 HG2 ARG 447 2HG ARG 447 10.101 0.829 10.737 335 HG3 ARG 447 1HG ARG 447 9.498 0.541 9.105 336 HD2 ARG 447 2HD ARG 447 7.492 1.359 9.621 337 HD3 ARG 447 1HD ARG 447 7.375 0.337 11.053 338 HE ARG 447 HE ARG 447 9.110 2.564 11.466 339 HH11 ARG 447 1HH1 ARG 447 5.758 1.601 11.389 340 HH12 ARG 447 2HH1 ARG 447 5.238 2.875 12.440 341 HH21 ARG 447 1HH2 ARG 447 8.428 4.244 12.843 342 HH22 ARG 447 2HH2 ARG 447 6.754 4.376 13.265 343 H ALA 448 H ALA 448 12.005 -1.940 10.665 344 HA ALA 448 HA ALA 448 12.357 -4.839 10.599 345 HB1 ALA 448 1HB ALA 448 14.540 -3.991 11.889 346 HB2 ALA 448 2HB ALA 448 14.129 -2.511 11.023 347 HB3 ALA 448 3HB ALA 448 14.410 -4.006 10.130 348 H ALA 449 H ALA 449 11.858 -6.100 12.259 349 HA ALA 449 HA ALA 449 10.415 -5.392 14.454 350 HB1 ALA 449 1HB ALA 449 10.793 -7.527 15.323 351 HB2 ALA 449 2HB ALA 449 12.414 -7.618 14.637 352 HB3 ALA 449 3HB ALA 449 11.005 -7.722 13.583 353 H THR 450 H THR 450 13.959 -5.880 14.471 354 HA THR 450 HA THR 450 14.119 -4.703 17.120 355 HB THR 450 HB THR 450 16.694 -5.108 16.516 356 HG1 THR 450 1HG THR 450 16.961 -6.381 14.843 357 HG21 THR 450 3HG2 THR 450 14.678 -7.199 17.329 358 HG22 THR 450 1HG2 THR 450 15.603 -6.139 18.391 359 HG23 THR 450 2HG2 THR 450 16.424 -7.401 17.472 360 H ASP 451 H ASP 451 13.609 -3.216 14.403 361 HA ASP 451 HA ASP 451 15.113 -0.877 15.169 362 HB2 ASP 451 2HB ASP 451 16.541 -2.342 13.546 363 HB3 ASP 451 1HB ASP 451 15.441 -1.733 12.311 364 HA PRO 452 HA PRO 452 10.922 0.117 13.600 365 HB2 PRO 452 2HB PRO 452 11.128 2.363 15.465 366 HB3 PRO 452 1HB PRO 452 9.937 1.061 15.409 367 HG2 PRO 452 2HG PRO 452 11.803 1.258 17.362 368 HG3 PRO 452 1HG PRO 452 11.161 -0.295 16.798 369 HD2 PRO 452 2HD PRO 452 13.761 1.036 16.147 370 HD3 PRO 452 1HD PRO 452 13.415 -0.681 16.444 371 H LYS 453 H LYS 453 13.841 1.986 13.919 372 HA LYS 453 HA LYS 453 12.873 4.216 12.374 373 HB2 LYS 453 2HB LYS 453 15.758 3.601 12.971 374 HB3 LYS 453 1HB LYS 453 15.019 5.167 12.663 375 HG2 LYS 453 2HG LYS 453 14.843 5.458 14.848 376 HG3 LYS 453 1HG LYS 453 13.692 4.120 14.899 377 HD2 LYS 453 2HD LYS 453 15.505 3.750 16.478 378 HD3 LYS 453 1HD LYS 453 15.555 2.546 15.190 379 HE2 LYS 453 2HE LYS 453 17.119 4.956 14.633 380 HE3 LYS 453 1HE LYS 453 17.677 4.053 16.040 381 HZ1 LYS 453 3HZ LYS 453 17.094 2.347 13.819 382 HZ2 LYS 453 1HZ LYS 453 18.506 2.467 14.746 383 HZ3 LYS 453 2HZ LYS 453 18.265 3.504 13.432 384 H ALA 454 H ALA 454 14.221 1.136 11.664 385 HA ALA 454 HA ALA 454 15.151 1.981 9.026 386 HB1 ALA 454 1HB ALA 454 16.192 0.193 10.758 387 HB2 ALA 454 2HB ALA 454 16.470 0.154 9.017 388 HB3 ALA 454 3HB ALA 454 15.230 -0.875 9.737 389 H VAL 455 H VAL 455 13.982 1.721 7.229 390 HA VAL 455 HA VAL 455 11.587 0.006 7.371 391 HB VAL 455 HB VAL 455 11.901 2.471 5.660 392 HG11 VAL 455 1HG1 VAL 455 9.341 1.098 6.404 393 HG12 VAL 455 2HG1 VAL 455 10.296 0.570 5.018 394 HG13 VAL 455 3HG1 VAL 455 9.657 2.213 5.075 395 HG21 VAL 455 3HG2 VAL 455 11.045 2.140 8.462 396 HG22 VAL 455 1HG2 VAL 455 10.009 3.148 7.452 397 HG23 VAL 455 2HG2 VAL 455 11.716 3.547 7.637 398 H VAL 456 H VAL 456 11.155 -1.362 5.703 399 HA VAL 456 HA VAL 456 13.275 -1.682 3.700 400 HB VAL 456 HB VAL 456 12.932 -3.936 3.697 401 HG11 VAL 456 1HG1 VAL 456 13.026 -2.920 6.177 402 HG12 VAL 456 2HG1 VAL 456 13.003 -4.652 5.838 403 HG13 VAL 456 3HG1 VAL 456 11.512 -3.819 6.282 404 HG21 VAL 456 3HG2 VAL 456 10.682 -4.976 4.338 405 HG22 VAL 456 1HG2 VAL 456 10.773 -4.107 2.807 406 HG23 VAL 456 2HG2 VAL 456 10.034 -3.340 4.213 407 H THR 457 H THR 457 12.844 -1.603 1.528 408 HA THR 457 HA THR 457 10.039 -1.199 0.741 409 HB THR 457 HB THR 457 11.932 0.292 -0.913 410 HG1 THR 457 1HG THR 457 11.672 0.882 1.856 411 HG21 THR 457 3HG2 THR 457 9.548 1.300 0.625 412 HG22 THR 457 1HG2 THR 457 9.390 0.391 -0.880 413 HG23 THR 457 2HG2 THR 457 10.238 1.940 -0.866 414 H THR 458 H THR 458 9.391 -2.464 -0.853 415 HA THR 458 HA THR 458 11.412 -3.626 -2.658 416 HB THR 458 HB THR 458 8.891 -5.054 -1.814 417 HG1 THR 458 1HG THR 458 11.491 -5.099 -0.667 418 HG21 THR 458 3HG2 THR 458 11.450 -6.174 -2.945 419 HG22 THR 458 1HG2 THR 458 10.087 -5.683 -3.950 420 HG23 THR 458 2HG2 THR 458 9.892 -6.984 -2.774 421 H TYR 459 H TYR 459 11.054 -3.277 -4.761 422 HA TYR 459 HA TYR 459 8.434 -2.205 -5.550 423 HB2 TYR 459 2HB TYR 459 11.130 -1.978 -6.900 424 HB3 TYR 459 1HB TYR 459 9.630 -1.317 -7.542 425 HD1 TYR 459 2HD TYR 459 8.547 0.596 -6.449 426 HD2 TYR 459 1HD TYR 459 12.279 -0.913 -5.071 427 HE1 TYR 459 2HE TYR 459 8.905 2.664 -5.168 428 HE2 TYR 459 1HE TYR 459 12.647 1.150 -3.785 429 HH TYR 459 HH TYR 459 10.707 3.942 -4.195 430 H GLU 460 H GLU 460 7.139 -3.319 -6.858 431 HA GLU 460 HA GLU 460 8.249 -5.679 -8.230 432 HB2 GLU 460 2HB GLU 460 5.403 -5.304 -7.294 433 HB3 GLU 460 1HB GLU 460 6.113 -6.767 -7.960 434 HG2 GLU 460 2HG GLU 460 6.477 -7.401 -5.869 435 HG3 GLU 460 1HG GLU 460 7.740 -6.172 -5.810 436 H GLY 461 H GLY 461 8.566 -5.060 -10.291 437 HA2 GLY 461 2HA GLY 461 7.154 -5.024 -12.380 438 HA3 GLY 461 1HA GLY 461 6.352 -3.646 -11.643 439 H LYS 462 H LYS 462 6.922 -2.428 -13.523 440 HA LYS 462 HA LYS 462 9.527 -1.178 -13.250 441 HB2 LYS 462 2HB LYS 462 9.787 -3.093 -14.878 442 HB3 LYS 462 1HB LYS 462 8.665 -2.252 -15.937 443 HG2 LYS 462 2HG LYS 462 10.767 -0.478 -15.105 444 HG3 LYS 462 1HG LYS 462 11.438 -1.952 -15.806 445 HD2 LYS 462 2HD LYS 462 10.100 -1.644 -17.806 446 HD3 LYS 462 1HD LYS 462 9.331 -0.222 -17.098 447 HE2 LYS 462 2HE LYS 462 11.963 0.418 -16.864 448 HE3 LYS 462 1HE LYS 462 11.968 -0.521 -18.357 449 HZ1 LYS 462 3HZ LYS 462 11.589 1.684 -18.996 450 HZ2 LYS 462 1HZ LYS 462 10.464 1.958 -17.761 451 HZ3 LYS 462 2HZ LYS 462 10.063 0.959 -19.067 452 H HIS 463 H HIS 463 9.483 0.952 -13.747 453 HA HIS 463 HA HIS 463 6.908 2.105 -14.395 454 HB2 HIS 463 2HB HIS 463 9.554 3.434 -13.780 455 HB3 HIS 463 1HB HIS 463 8.008 4.263 -13.934 456 HD2 HIS 463 2HD HIS 463 10.099 2.455 -11.297 457 HE1 HIS 463 1HE HIS 463 6.270 3.124 -9.596 458 HE2 HIS 463 2HE HIS 463 8.672 2.511 -9.142 459 H ASN 464 H ASN 464 6.287 2.516 -16.396 460 HA ASN 464 HA ASN 464 8.337 2.839 -18.477 461 HB2 ASN 464 2HB ASN 464 5.603 1.680 -18.442 462 HB3 ASN 464 1HB ASN 464 6.089 2.522 -19.910 463 HD21 ASN 464 1HD2 ASN 464 5.526 -0.226 -19.732 464 HD22 ASN 464 2HD2 ASN 464 6.975 -1.094 -20.090 465 H HIS 465 H HIS 465 8.003 5.057 -16.941 466 HA HIS 465 HA HIS 465 6.987 6.947 -18.875 467 HB2 HIS 465 2HB HIS 465 5.527 8.116 -17.285 468 HB3 HIS 465 1HB HIS 465 4.976 6.467 -17.554 469 HD1 HIS 465 1HD HIS 465 6.754 8.566 -14.961 470 HD2 HIS 465 2HD HIS 465 4.813 4.915 -15.304 471 HE1 HIS 465 1HE HIS 465 6.544 7.695 -12.610 472 H ASP 466 H ASP 466 7.779 9.062 -18.563 473 HA ASP 466 HA ASP 466 10.295 9.171 -17.207 474 HB2 ASP 466 2HB ASP 466 9.397 10.428 -19.383 475 HB3 ASP 466 1HB ASP 466 8.995 11.664 -18.194 476 H LEU 467 H LEU 467 10.721 11.322 -15.892 477 HA LEU 467 HA LEU 467 9.236 11.073 -13.495 478 HB2 LEU 467 2HB LEU 467 11.538 12.606 -14.441 479 HB3 LEU 467 1HB LEU 467 10.562 13.477 -13.275 480 HG LEU 467 HG LEU 467 12.426 12.245 -12.230 481 HD11 LEU 467 1HD1 LEU 467 10.009 10.820 -11.276 482 HD12 LEU 467 2HD1 LEU 467 9.977 12.583 -11.261 483 HD13 LEU 467 3HD1 LEU 467 11.230 11.717 -10.372 484 HD21 LEU 467 3HD2 LEU 467 11.254 10.048 -13.778 485 HD22 LEU 467 1HD2 LEU 467 11.673 9.638 -12.114 486 HD23 LEU 467 2HD2 LEU 467 12.905 10.279 -13.201 487 HA PRO 468 HA PRO 468 5.915 13.821 -14.704 488 HB2 PRO 468 2HB PRO 468 4.501 13.689 -12.409 489 HB3 PRO 468 1HB PRO 468 4.530 12.364 -13.580 490 HG2 PRO 468 2HG PRO 468 6.066 12.676 -11.029 491 HG3 PRO 468 1HG PRO 468 5.251 11.241 -11.677 492 HD2 PRO 468 2HD PRO 468 7.935 11.647 -11.880 493 HD3 PRO 468 1HD PRO 468 7.001 10.721 -13.072 494 H ALA 469 H ALA 469 7.363 15.665 -14.756 495 HA ALA 469 HA ALA 469 7.603 17.186 -12.272 496 HB1 ALA 469 1HB ALA 469 9.589 16.903 -13.715 497 HB2 ALA 469 2HB ALA 469 9.156 18.595 -13.464 498 HB3 ALA 469 3HB ALA 469 8.760 17.801 -14.987 499 H5' DC 3 H5' DC 3 -4.157 14.757 -10.055 500 H5'' DC 3 H5" DC 3 -5.314 13.437 -10.310 501 H4' DC 3 H4' DC 3 -4.108 14.426 -7.878 502 H3' DC 3 H3' DC 3 -4.972 11.902 -8.910 503 H2' DC 3 H2' DC 3 -6.922 11.673 -7.637 504 H2'' DC 3 H2" DC 3 -5.846 11.535 -6.254 505 H1' DC 3 H1' DC 3 -6.003 13.819 -5.683 506 H41 DC 3 1H4 DC 3 -12.190 14.646 -4.638 507 H42 DC 3 2H4 DC 3 -12.619 13.710 -6.050 508 H5 DC 3 5H DC 3 -10.973 12.774 -7.559 509 H6 DC 3 6H DC 3 -8.589 12.549 -8.017 510 H5' DC 4 H5' DC 4 -2.403 11.810 -4.926 511 H5'' DC 4 H5" DC 4 -1.803 10.197 -4.484 512 H4' DC 4 H4' DC 4 -3.049 11.523 -2.709 513 H3' DC 4 H3' DC 4 -3.329 8.668 -3.310 514 H2' DC 4 H2' DC 4 -5.593 8.517 -2.799 515 H2'' DC 4 H2" DC 4 -5.272 9.265 -1.241 516 H1' DC 4 H1' DC 4 -5.805 11.406 -1.950 517 H41 DC 4 1H4 DC 4 -11.580 10.666 -4.422 518 H42 DC 4 2H4 DC 4 -10.944 9.849 -5.833 519 H5 DC 4 5H DC 4 -8.590 9.361 -6.120 520 H6 DC 4 6H DC 4 -6.375 9.565 -5.119 521 H5' DT 5 H5' DT 5 -4.377 10.611 0.217 522 H5'' DT 5 H5" DT 5 -3.016 10.428 1.343 523 H4' DT 5 H4' DT 5 -4.703 11.089 2.743 524 H3' DT 5 H3' DT 5 -3.832 8.620 3.284 525 H2' DT 5 H2' DT 5 -5.422 7.337 2.052 526 H2'' DT 5 H2" DT 5 -6.259 7.441 3.594 527 H1' DT 5 H1' DT 5 -7.707 9.163 2.867 528 H3 DT 5 3H DT 5 -10.479 7.937 -0.430 529 H71 DT 5 1H7 DT 5 -6.645 6.833 -3.063 530 H72 DT 5 2H7 DT 5 -5.507 6.340 -1.786 531 H73 DT 5 3H7 DT 5 -6.909 5.315 -2.172 532 H6 DT 5 6H DT 5 -5.762 7.558 0.167 533 H5' DT 6 H5' DT 6 -6.980 8.577 6.454 534 H5'' DT 6 H5" DT 6 -6.237 8.156 8.012 535 H4' DT 6 H4' DT 6 -7.581 6.377 7.897 536 H3' DT 6 H3' DT 6 -5.241 5.562 6.230 537 H2' DT 6 H2' DT 6 -6.434 3.813 5.219 538 H2'' DT 6 H2" DT 6 -7.367 3.506 6.674 539 H1' DT 6 H1' DT 6 -9.112 4.796 5.974 540 H3 DT 6 3H DT 6 -10.711 4.962 1.812 541 H71 DT 6 1H7 DT 6 -6.573 4.641 -0.098 542 H72 DT 6 2H7 DT 6 -5.650 5.690 1.003 543 H73 DT 6 3H7 DT 6 -5.606 3.924 1.213 544 H6 DT 6 6H DT 6 -6.295 4.942 3.610 545 H5' DT 7 H5' DT 7 -7.520 3.267 9.868 546 H5'' DT 7 H5" DT 7 -7.092 1.550 9.997 547 H4' DT 7 H4' DT 7 -9.592 2.461 9.638 548 H3' DT 7 H3' DT 7 -8.574 -0.040 9.809 549 H2' DT 7 H2' DT 7 -7.991 -0.337 7.503 550 H2'' DT 7 H2" DT 7 -9.631 -0.972 7.504 551 H1' DT 7 H1' DT 7 -10.577 1.095 6.722 552 H3 DT 7 3H DT 7 -9.603 1.105 2.377 553 H71 DT 7 1H7 DT 7 -4.986 1.882 5.070 554 H72 DT 7 2H7 DT 7 -5.218 2.530 3.428 555 H73 DT 7 3H7 DT 7 -4.941 0.788 3.667 556 H6 DT 7 6H DT 7 -6.914 1.463 6.300 557 H5' DG 8 H5' DG 8 -13.657 -0.340 8.694 558 H5'' DG 8 H5" DG 8 -13.830 -1.508 10.020 559 H4' DG 8 H4' DG 8 -15.307 -1.937 8.074 560 H3' DG 8 H3' DG 8 -14.256 -3.842 9.605 561 H2' DG 8 H2' DG 8 -12.190 -4.181 8.433 562 H2'' DG 8 H2" DG 8 -13.197 -5.404 7.673 563 H1' DG 8 H1' DG 8 -13.627 -4.068 5.753 564 H8 DG 8 8H DG 8 -10.563 -3.063 7.839 565 H1 DG 8 1H DG 8 -9.717 -2.999 1.483 566 H21 DG 8 1H2 DG 8 -11.614 -3.394 0.453 567 H22 DG 8 2H2 DG 8 -13.105 -3.676 1.322 568 H5' DA 9 H5' DA 9 -16.642 -5.165 5.622 569 H5'' DA 9 H5" DA 9 -17.763 -6.325 6.365 570 H4' DA 9 H4' DA 9 -17.540 -6.829 4.037 571 H3' DA 9 H3' DA 9 -17.376 -8.792 5.830 572 H2' DA 9 H2' DA 9 -15.001 -8.773 6.183 573 H2'' DA 9 H2" DA 9 -15.138 -10.003 4.936 574 H1' DA 9 H1' DA 9 -14.522 -8.499 3.188 575 H8 DA 9 8H DA 9 -13.501 -7.429 6.739 576 H61 DA 9 2H6 DA 9 -8.889 -6.245 5.749 577 H62 DA 9 1H6 DA 9 -7.964 -6.169 4.268 578 H2 DA 9 2H DA 9 -10.739 -7.348 0.946 579 H5' DC 10 H5' DC 10 -17.075 -10.074 1.054 580 H5'' DC 10 H5" DC 10 -17.994 -11.592 1.131 581 H4' DC 10 H4' DC 10 -16.376 -11.539 -0.713 582 H3' DC 10 H3' DC 10 -16.882 -13.730 0.752 583 H2' DC 10 H2' DC 10 -15.137 -13.542 2.374 584 H2'' DC 10 H2" DC 10 -14.301 -14.479 1.143 585 H1' DC 10 H1' DC 10 -13.165 -12.596 0.262 586 H41 DC 10 1H4 DC 10 -10.018 -10.243 5.236 587 H42 DC 10 2H4 DC 10 -11.433 -10.348 6.253 588 H5 DC 10 5H DC 10 -13.580 -11.128 5.461 589 H6 DC 10 6H DC 10 -14.812 -11.960 3.526 590 H5' DC 11 H5' DC 11 -13.690 -15.355 -2.734 591 H5'' DC 11 H5" DC 11 -14.432 -16.934 -3.071 592 H4' DC 11 H4' DC 11 -12.000 -17.060 -2.833 593 H3' DC 11 H3' DC 11 -13.753 -18.874 -1.743 594 H2' DC 11 H2' DC 11 -13.598 -18.184 0.531 595 H2'' DC 11 H2" DC 11 -12.226 -19.280 0.476 596 H1' DC 11 H1' DC 11 -10.652 -17.505 0.070 597 H41 DC 11 1H4 DC 11 -11.109 -14.029 5.354 598 H42 DC 11 2H4 DC 11 -12.831 -14.315 5.447 599 H5 DC 11 5H DC 11 -14.065 -15.540 3.770 600 H6 DC 11 6H DC 11 -13.901 -16.748 1.659 601 H5' DA 12 H5' DA 12 -9.361 -19.753 -1.438 602 H5'' DA 12 H5" DA 12 -8.986 -21.215 -2.372 603 H4' DA 12 H4' DA 12 -7.344 -21.267 -0.791 604 H3' DA 12 H3' DA 12 -9.125 -23.285 -0.498 605 H2' DA 12 H2' DA 12 -10.434 -22.388 1.272 606 H2'' DA 12 H2" DA 12 -9.203 -23.218 2.213 607 H1' DA 12 H1' DA 12 -7.924 -21.233 2.564 608 H8 DA 12 8H DA 12 -11.670 -20.791 1.797 609 H61 DA 12 2H6 DA 12 -12.657 -17.570 5.303 610 H62 DA 12 1H6 DA 12 -11.661 -16.711 6.456 611 H2 DA 12 2H DA 12 -7.428 -17.995 5.721 612 H5' DT 21 H5' DT 21 -5.555 -15.627 12.894 613 H5'' DT 21 H5" DT 21 -3.900 -15.648 13.534 614 H4' DT 21 H4' DT 21 -3.138 -15.923 11.497 615 H3' DT 21 H3' DT 21 -3.419 -13.215 11.504 616 H2' DT 21 H2' DT 21 -5.547 -13.075 10.428 617 H2'' DT 21 H2" DT 21 -4.495 -13.060 9.019 618 H1' DT 21 H1' DT 21 -4.748 -15.418 8.634 619 H3 DT 21 3H DT 21 -8.826 -16.513 7.161 620 H71 DT 21 1H7 DT 21 -9.704 -13.555 11.472 621 H72 DT 21 2H7 DT 21 -10.957 -13.900 10.256 622 H73 DT 21 3H7 DT 21 -9.900 -12.480 10.068 623 H6 DT 21 6H DT 21 -7.284 -13.692 10.686 624 H5' DG 22 H5' DG 22 -1.958 -14.888 7.511 625 H5'' DG 22 H5" DG 22 -0.287 -14.317 7.313 626 H4' DG 22 H4' DG 22 -0.968 -14.457 5.141 627 H3' DG 22 H3' DG 22 -0.505 -11.914 5.888 628 H2' DG 22 H2' DG 22 -2.753 -11.257 6.388 629 H2'' DG 22 H2" DG 22 -2.663 -10.802 4.692 630 H1' DG 22 H1' DG 22 -3.753 -12.798 3.953 631 H8 DG 22 8H DG 22 -4.408 -11.461 7.456 632 H1 DG 22 1H DG 22 -9.485 -14.150 4.606 633 H21 DG 22 1H2 DG 22 -8.900 -15.119 2.773 634 H22 DG 22 2H2 DG 22 -7.270 -15.156 2.164 635 H5' DG 23 H5' DG 23 -0.299 -12.003 0.864 636 H5'' DG 23 H5" DG 23 0.436 -10.450 0.412 637 H4' DG 23 H4' DG 23 -1.724 -11.126 -0.748 638 H3' DG 23 H3' DG 23 -0.875 -8.519 0.081 639 H2' DG 23 H2' DG 23 -2.800 -7.846 1.216 640 H2'' DG 23 H2" DG 23 -3.648 -7.998 -0.318 641 H1' DG 23 H1' DG 23 -4.488 -10.105 0.127 642 H8 DG 23 8H DG 23 -2.903 -8.832 3.433 643 H1 DG 23 1H DG 23 -9.114 -10.401 3.695 644 H21 DG 23 1H2 DG 23 -9.803 -11.099 1.777 645 H22 DG 23 2H2 DG 23 -8.798 -11.218 0.360 646 H5' DT 24 H5' DT 24 -3.195 -8.639 -4.108 647 H5'' DT 24 H5" DT 24 -2.647 -7.284 -5.118 648 H4' DT 24 H4' DT 24 -5.012 -7.372 -5.253 649 H3' DT 24 H3' DT 24 -3.957 -5.078 -3.646 650 H2' DT 24 H2' DT 24 -6.144 -4.439 -3.004 651 H2'' DT 24 H2" DT 24 -6.882 -5.203 -4.405 652 H1' DT 24 H1' DT 24 -7.333 -7.055 -3.138 653 H3 DT 24 3H DT 24 -8.342 -6.652 1.175 654 H71 DT 24 1H7 DT 24 -3.078 -5.788 0.797 655 H72 DT 24 2H7 DT 24 -3.965 -5.774 2.339 656 H73 DT 24 3H7 DT 24 -3.912 -4.310 1.329 657 H6 DT 24 6H DT 24 -4.348 -5.846 -1.304 658 H5' DC 25 H5' DC 25 -7.484 -5.104 -7.067 659 H5'' DC 25 H5" DC 25 -7.536 -3.408 -7.595 660 H4' DC 25 H4' DC 25 -9.716 -4.725 -6.965 661 H3' DC 25 H3' DC 25 -9.312 -2.087 -7.369 662 H2' DC 25 H2' DC 25 -8.748 -1.459 -5.128 663 H2'' DC 25 H2" DC 25 -10.491 -1.224 -5.092 664 H1' DC 25 H1' DC 25 -10.897 -3.358 -4.079 665 H41 DC 25 1H4 DC 25 -7.894 -2.629 1.436 666 H42 DC 25 2H4 DC 25 -6.361 -2.335 0.649 667 H5 DC 25 5H DC 25 -6.106 -2.302 -1.757 668 H6 DC 25 6H DC 25 -7.254 -2.599 -3.890 669 H5' DA 26 H5' DA 26 -14.061 -3.008 -5.404 670 H5'' DA 26 H5" DA 26 -14.760 -1.952 -6.651 671 H4' DA 26 H4' DA 26 -15.888 -1.871 -4.427 672 H3' DA 26 H3' DA 26 -15.683 0.179 -6.141 673 H2' DA 26 H2' DA 26 -13.657 1.158 -5.317 674 H2'' DA 26 H2" DA 26 -14.846 2.054 -4.382 675 H1' DA 26 H1' DA 26 -14.569 0.686 -2.448 676 H8 DA 26 8H DA 26 -11.654 0.717 -4.959 677 H61 DA 26 2H6 DA 26 -8.049 1.266 -1.741 678 H62 DA 26 1H6 DA 26 -7.997 1.282 0.006 679 H2 DA 26 2H DA 26 -12.202 0.664 1.436 680 H5' DA 27 H5' DA 27 -18.309 1.164 -1.774 681 H5'' DA 27 H5" DA 27 -19.549 1.906 -2.810 682 H4' DA 27 H4' DA 27 -19.544 2.817 -0.535 683 H3' DA 27 H3' DA 27 -19.956 4.318 -2.710 684 H2' DA 27 H2' DA 27 -17.706 5.019 -3.131 685 H2'' DA 27 H2" DA 27 -18.261 6.339 -2.111 686 H1' DA 27 H1' DA 27 -17.231 5.455 -0.157 687 H8 DA 27 8H DA 27 -15.829 4.624 -3.585 688 H61 DA 27 2H6 DA 27 -11.106 4.625 -2.431 689 H62 DA 27 1H6 DA 27 -10.245 4.714 -0.911 690 H2 DA 27 2H DA 27 -13.340 4.988 2.321 691 H5' DA 28 H5' DA 28 -19.418 6.759 1.468 692 H5'' DA 28 H5" DA 28 -20.898 7.738 1.405 693 H4' DA 28 H4' DA 28 -19.351 9.002 2.624 694 H3' DA 28 H3' DA 28 -20.417 10.163 0.440 695 H2' DA 28 H2' DA 28 -18.655 9.765 -1.119 696 H2'' DA 28 H2" DA 28 -18.128 11.309 -0.462 697 H1' DA 28 H1' DA 28 -16.563 10.314 1.026 698 H8 DA 28 8H DA 28 -17.627 8.228 -2.019 699 H61 DA 28 2H6 DA 28 -13.201 6.714 -3.345 700 H62 DA 28 1H6 DA 28 -11.616 6.872 -2.621 701 H2 DA 28 2H DA 28 -12.147 9.183 1.183 702 H5' DG 29 H5' DG 29 -18.431 13.608 3.611 703 H5'' DG 29 H5" DG 29 -18.475 15.178 2.782 704 H4' DG 29 H4' DG 29 -16.346 14.219 4.119 705 H3' DG 29 H3' DG 29 -16.768 16.504 2.699 706 H2' DG 29 H2' DG 29 -16.065 15.724 0.553 707 H2'' DG 29 H2" DG 29 -14.522 16.277 1.189 708 H1' DG 29 H1' DG 29 -13.877 14.078 1.908 709 H8 DG 29 8H DG 29 -16.834 13.434 -0.516 710 H1 DG 29 1H DG 29 -11.047 11.556 -2.546 711 H21 DG 29 1H2 DG 29 -9.511 12.090 -1.076 712 H22 DG 29 2H2 DG 29 -9.894 12.911 0.420 713 H5' DG 30 H5' DG 30 -12.080 16.865 4.769 714 H5'' DG 30 H5" DG 30 -12.575 18.358 5.594 715 H4' DG 30 H4' DG 30 -10.292 18.555 4.901 716 H3' DG 30 H3' DG 30 -12.006 20.548 4.424 717 H2' DG 30 H2' DG 30 -12.699 19.954 2.214 718 H2'' DG 30 H2" DG 30 -11.348 21.016 1.840 719 H1' DG 30 H1' DG 30 -9.851 19.216 1.444 720 H8 DG 30 8H DG 30 -13.594 18.436 1.208 721 H1 DG 30 1H DG 30 -9.920 15.632 -3.239 722 H21 DG 30 1H2 DG 30 -7.796 15.979 -2.807 723 H22 DG 30 2H2 DG 30 -7.265 16.905 -1.419 Start of MODEL 4 1 H LEU 407 H LEU 407 5.872 5.464 -1.145 2 HA LEU 407 HA LEU 407 4.522 6.965 -2.686 3 HB2 LEU 407 2HB LEU 407 2.545 6.413 -1.010 4 HB3 LEU 407 1HB LEU 407 3.228 7.760 -0.119 5 HG LEU 407 HG LEU 407 2.138 7.827 -2.931 6 HD11 LEU 407 2HD1 LEU 407 1.112 9.613 -0.833 7 HD12 LEU 407 3HD1 LEU 407 0.756 7.898 -0.611 8 HD13 LEU 407 1HD1 LEU 407 0.254 8.719 -2.088 9 HD21 LEU 407 1HD2 LEU 407 3.757 9.411 -3.145 10 HD22 LEU 407 2HD2 LEU 407 3.833 9.731 -1.411 11 HD23 LEU 407 3HD2 LEU 407 2.511 10.395 -2.374 12 H LEU 408 H LEU 408 6.717 7.590 -2.675 13 HA LEU 408 HA LEU 408 7.411 9.509 -0.549 14 HB2 LEU 408 2HB LEU 408 9.451 8.040 -2.194 15 HB3 LEU 408 1HB LEU 408 9.677 8.880 -0.672 16 HG LEU 408 HG LEU 408 7.861 6.531 -0.648 17 HD11 LEU 408 1HD1 LEU 408 9.792 5.007 -0.382 18 HD12 LEU 408 2HD1 LEU 408 10.855 6.313 -0.904 19 HD13 LEU 408 3HD1 LEU 408 9.644 5.665 -2.010 20 HD21 LEU 408 3HD2 LEU 408 8.676 6.274 1.553 21 HD22 LEU 408 1HD2 LEU 408 8.435 8.006 1.323 22 HD23 LEU 408 2HD2 LEU 408 10.060 7.323 1.244 23 H ASP 409 H ASP 409 9.789 10.390 -1.969 24 HA ASP 409 HA ASP 409 8.533 11.801 -4.232 25 HB2 ASP 409 2HB ASP 409 9.903 13.763 -3.677 26 HB3 ASP 409 1HB ASP 409 8.871 13.315 -2.321 27 H ASP 410 H ASP 410 9.828 9.392 -4.566 28 HA ASP 410 HA ASP 410 12.527 9.969 -5.496 29 HB2 ASP 410 2HB ASP 410 12.514 7.520 -6.109 30 HB3 ASP 410 1HB ASP 410 12.282 7.853 -4.395 31 H GLY 411 H GLY 411 9.320 9.842 -6.650 32 HA2 GLY 411 2HA GLY 411 9.026 10.971 -8.833 33 HA3 GLY 411 1HA GLY 411 10.301 9.915 -9.432 34 H TYR 412 H TYR 412 7.023 9.956 -8.111 35 HA TYR 412 HA TYR 412 5.744 8.446 -9.942 36 HB2 TYR 412 2HB TYR 412 7.314 6.682 -8.121 37 HB3 TYR 412 1HB TYR 412 5.690 6.165 -8.550 38 HD1 TYR 412 2HD TYR 412 6.445 7.829 -11.387 39 HD2 TYR 412 1HD TYR 412 7.812 4.412 -9.245 40 HE1 TYR 412 2HE TYR 412 7.325 6.882 -13.473 41 HE2 TYR 412 1HE TYR 412 8.698 3.459 -11.332 42 HH TYR 412 HH TYR 412 9.233 5.165 -14.053 43 H ARG 413 H ARG 413 3.781 7.200 -9.025 44 HA ARG 413 HA ARG 413 2.845 8.597 -6.606 45 HB2 ARG 413 2HB ARG 413 0.554 8.453 -7.578 46 HB3 ARG 413 1HB ARG 413 1.649 9.471 -8.501 47 HG2 ARG 413 2HG ARG 413 2.008 7.148 -9.791 48 HG3 ARG 413 1HG ARG 413 0.349 6.931 -9.234 49 HD2 ARG 413 2HD ARG 413 1.231 9.450 -10.603 50 HD3 ARG 413 1HD ARG 413 0.721 8.036 -11.522 51 HE ARG 413 HE ARG 413 -0.953 9.747 -9.860 52 HH11 ARG 413 1HH1 ARG 413 -0.688 6.850 -11.797 53 HH12 ARG 413 2HH1 ARG 413 -2.397 6.696 -12.020 54 HH21 ARG 413 1HH2 ARG 413 -3.199 9.538 -10.152 55 HH22 ARG 413 2HH2 ARG 413 -3.823 8.219 -11.087 56 H TRP 414 H TRP 414 2.217 7.356 -4.965 57 HA TRP 414 HA TRP 414 1.599 4.528 -5.508 58 HB2 TRP 414 2HB TRP 414 3.110 5.565 -3.110 59 HB3 TRP 414 1HB TRP 414 2.816 3.880 -3.530 60 HD1 TRP 414 HD TRP 414 4.917 6.909 -4.636 61 HE1 TRP 414 1HE TRP 414 6.899 6.054 -6.044 62 HE3 TRP 414 3HE TRP 414 3.606 1.985 -4.941 63 HZ2 TRP 414 2HZ TRP 414 7.781 3.595 -7.142 64 HZ3 TRP 414 3HZ TRP 414 5.067 0.444 -6.189 65 HH2 TRP 414 HH TRP 414 7.111 1.233 -7.265 66 H ARG 415 H ARG 415 -0.003 3.572 -4.329 67 HA ARG 415 HA ARG 415 -1.672 5.382 -2.723 68 HB2 ARG 415 2HB ARG 415 -2.959 4.605 -4.521 69 HB3 ARG 415 1HB ARG 415 -2.278 2.988 -4.433 70 HG2 ARG 415 2HG ARG 415 -3.791 2.294 -2.936 71 HG3 ARG 415 1HG ARG 415 -3.770 3.819 -2.048 72 HD2 ARG 415 2HD ARG 415 -5.947 3.516 -3.014 73 HD3 ARG 415 1HD ARG 415 -5.130 4.831 -3.858 74 HE ARG 415 HE ARG 415 -5.231 3.601 -5.774 75 HH11 ARG 415 1HH1 ARG 415 -5.741 1.472 -3.058 76 HH12 ARG 415 2HH1 ARG 415 -6.118 0.097 -4.040 77 HH21 ARG 415 1HH2 ARG 415 -5.731 1.789 -7.074 78 HH22 ARG 415 2HH2 ARG 415 -6.112 0.277 -6.320 79 H LYS 416 H LYS 416 -1.903 5.042 -0.612 80 HA LYS 416 HA LYS 416 -0.649 2.722 0.622 81 HB2 LYS 416 2HB LYS 416 -0.347 5.103 1.442 82 HB3 LYS 416 1HB LYS 416 -2.015 5.041 1.988 83 HG2 LYS 416 2HG LYS 416 -0.497 2.766 2.932 84 HG3 LYS 416 1HG LYS 416 0.226 4.297 3.427 85 HD2 LYS 416 2HD LYS 416 -2.675 3.571 3.813 86 HD3 LYS 416 1HD LYS 416 -1.429 3.402 5.052 87 HE2 LYS 416 2HE LYS 416 -1.184 5.686 5.302 88 HE3 LYS 416 1HE LYS 416 -1.824 6.034 3.697 89 HZ1 LYS 416 3HZ LYS 416 -3.211 6.318 5.966 90 HZ2 LYS 416 1HZ LYS 416 -3.690 4.761 5.505 91 HZ3 LYS 416 2HZ LYS 416 -3.919 6.064 4.451 92 H TYR 417 H TYR 417 -2.047 1.001 0.257 93 HA TYR 417 HA TYR 417 -4.694 1.252 1.537 94 HB2 TYR 417 2HB TYR 417 -5.608 -0.252 -0.134 95 HB3 TYR 417 1HB TYR 417 -4.847 1.127 -0.921 96 HD1 TYR 417 2HD TYR 417 -2.697 0.849 -2.100 97 HD2 TYR 417 1HD TYR 417 -4.756 -2.475 -0.426 98 HE1 TYR 417 2HE TYR 417 -1.317 -0.677 -3.444 99 HE2 TYR 417 1HE TYR 417 -3.377 -4.010 -1.765 100 HH TYR 417 HH TYR 417 -0.796 -3.659 -2.890 101 H GLY 418 H GLY 418 -5.565 -0.475 2.576 102 HA2 GLY 418 2HA GLY 418 -5.670 -2.425 3.793 103 HA3 GLY 418 1HA GLY 418 -4.409 -3.051 2.755 104 H GLN 419 H GLN 419 -4.932 -1.016 5.645 105 HA GLN 419 HA GLN 419 -2.167 -1.251 6.412 106 HB2 GLN 419 2HB GLN 419 -3.779 0.686 6.969 107 HB3 GLN 419 1HB GLN 419 -4.392 -0.369 8.235 108 HG2 GLN 419 2HG GLN 419 -2.810 0.518 9.517 109 HG3 GLN 419 1HG GLN 419 -1.684 -0.496 8.618 110 HE21 GLN 419 1HE2 GLN 419 -2.633 2.669 9.375 111 HE22 GLN 419 2HE2 GLN 419 -1.536 3.505 8.336 112 H LYS 420 H LYS 420 -1.373 -3.062 7.165 113 HA LYS 420 HA LYS 420 -2.976 -4.676 9.042 114 HB2 LYS 420 2HB LYS 420 -2.529 -5.588 6.604 115 HB3 LYS 420 1HB LYS 420 -0.951 -5.986 7.271 116 HG2 LYS 420 2HG LYS 420 -2.297 -7.126 9.157 117 HG3 LYS 420 1HG LYS 420 -3.638 -7.059 8.012 118 HD2 LYS 420 2HD LYS 420 -1.011 -8.128 7.093 119 HD3 LYS 420 1HD LYS 420 -2.038 -9.145 8.106 120 HE2 LYS 420 2HE LYS 420 -3.883 -8.845 6.515 121 HE3 LYS 420 1HE LYS 420 -2.837 -7.852 5.501 122 HZ1 LYS 420 3HZ LYS 420 -1.415 -9.729 5.122 123 HZ2 LYS 420 1HZ LYS 420 -3.005 -10.170 4.743 124 HZ3 LYS 420 2HZ LYS 420 -2.305 -10.689 6.194 125 H VAL 421 H VAL 421 -1.776 -5.721 10.749 126 HA VAL 421 HA VAL 421 0.936 -4.631 11.063 127 HB VAL 421 HB VAL 421 0.639 -4.434 13.388 128 HG11 VAL 421 1HG1 VAL 421 -0.934 -3.021 11.650 129 HG12 VAL 421 2HG1 VAL 421 -0.689 -2.636 13.354 130 HG13 VAL 421 3HG1 VAL 421 -2.099 -3.571 12.855 131 HG21 VAL 421 3HG2 VAL 421 -1.703 -6.246 12.987 132 HG22 VAL 421 1HG2 VAL 421 -1.664 -5.164 14.380 133 HG23 VAL 421 2HG2 VAL 421 -0.383 -6.356 14.152 134 H VAL 422 H VAL 422 2.527 -5.932 11.962 135 HA VAL 422 HA VAL 422 2.001 -8.809 11.739 136 HB VAL 422 HB VAL 422 4.669 -8.733 12.119 137 HG11 VAL 422 1HG1 VAL 422 3.948 -9.926 10.299 138 HG12 VAL 422 2HG1 VAL 422 4.742 -8.565 9.508 139 HG13 VAL 422 3HG1 VAL 422 2.986 -8.591 9.665 140 HG21 VAL 422 3HG2 VAL 422 5.680 -6.886 10.962 141 HG22 VAL 422 1HG2 VAL 422 4.659 -6.250 12.251 142 HG23 VAL 422 2HG2 VAL 422 4.100 -6.203 10.579 143 H LYS 423 H LYS 423 2.586 -10.274 13.417 144 HA LYS 423 HA LYS 423 2.639 -9.046 16.068 145 HB2 LYS 423 2HB LYS 423 0.824 -10.579 15.789 146 HB3 LYS 423 1HB LYS 423 1.880 -11.801 15.098 147 HG2 LYS 423 2HG LYS 423 2.939 -12.172 17.216 148 HG3 LYS 423 1HG LYS 423 2.065 -10.819 17.937 149 HD2 LYS 423 2HD LYS 423 0.497 -12.276 18.554 150 HD3 LYS 423 1HD LYS 423 0.085 -12.454 16.848 151 HE2 LYS 423 2HE LYS 423 1.461 -14.356 16.612 152 HE3 LYS 423 1HE LYS 423 2.274 -14.052 18.147 153 HZ1 LYS 423 3HZ LYS 423 -0.601 -14.442 18.285 154 HZ2 LYS 423 1HZ LYS 423 0.620 -15.006 19.313 155 HZ3 LYS 423 2HZ LYS 423 0.303 -15.806 17.856 156 H GLY 424 H GLY 424 4.152 -9.593 17.570 157 HA2 GLY 424 2HA GLY 424 6.160 -10.523 18.408 158 HA3 GLY 424 1HA GLY 424 6.344 -11.412 16.893 159 H ASN 425 H ASN 425 5.410 -8.404 16.186 160 HA ASN 425 HA ASN 425 7.815 -6.888 16.324 161 HB2 ASN 425 2HB ASN 425 8.275 -8.387 14.358 162 HB3 ASN 425 1HB ASN 425 6.799 -7.796 13.605 163 HD21 ASN 425 1HD2 ASN 425 6.742 -5.718 12.767 164 HD22 ASN 425 2HD2 ASN 425 8.176 -4.796 12.492 165 HA PRO 426 HA PRO 426 3.206 -5.387 16.602 166 HB2 PRO 426 2HB PRO 426 4.969 -3.704 18.355 167 HB3 PRO 426 1HB PRO 426 3.274 -4.144 18.572 168 HG2 PRO 426 2HG PRO 426 5.225 -5.467 19.841 169 HG3 PRO 426 1HG PRO 426 3.774 -6.296 19.249 170 HD2 PRO 426 2HD PRO 426 6.542 -6.456 18.279 171 HD3 PRO 426 1HD PRO 426 5.185 -7.554 17.985 172 H TYR 427 H TYR 427 3.791 -4.792 14.261 173 HA TYR 427 HA TYR 427 3.927 -1.887 14.181 174 HB2 TYR 427 2HB TYR 427 6.047 -3.641 12.974 175 HB3 TYR 427 1HB TYR 427 5.718 -2.033 12.338 176 HD1 TYR 427 2HD TYR 427 6.674 -3.832 15.461 177 HD2 TYR 427 1HD TYR 427 6.672 -0.138 13.349 178 HE1 TYR 427 2HE TYR 427 8.124 -2.858 17.180 179 HE2 TYR 427 1HE TYR 427 8.126 0.847 15.068 180 HH TYR 427 HH TYR 427 9.669 -1.049 17.480 181 HA PRO 428 HA PRO 428 1.087 -2.832 10.877 182 HB2 PRO 428 2HB PRO 428 0.205 -0.360 10.426 183 HB3 PRO 428 1HB PRO 428 -0.181 -1.202 11.931 184 HG2 PRO 428 2HG PRO 428 1.879 0.903 11.413 185 HG3 PRO 428 1HG PRO 428 0.791 0.717 12.801 186 HD2 PRO 428 2HD PRO 428 3.437 -0.083 12.753 187 HD3 PRO 428 1HD PRO 428 2.204 -0.731 13.853 188 H ARG 429 H ARG 429 1.640 -3.277 8.849 189 HA ARG 429 HA ARG 429 3.611 -1.624 7.474 190 HB2 ARG 429 2HB ARG 429 3.687 -3.428 5.821 191 HB3 ARG 429 1HB ARG 429 3.929 -4.052 7.447 192 HG2 ARG 429 2HG ARG 429 1.225 -4.293 7.142 193 HG3 ARG 429 1HG ARG 429 1.818 -4.610 5.511 194 HD2 ARG 429 2HD ARG 429 3.511 -6.000 7.299 195 HD3 ARG 429 1HD ARG 429 1.852 -6.316 7.802 196 HE ARG 429 HE ARG 429 1.893 -6.652 5.066 197 HH11 ARG 429 1HH1 ARG 429 3.495 -8.090 7.814 198 HH12 ARG 429 2HH1 ARG 429 3.661 -9.639 7.064 199 HH21 ARG 429 1HH2 ARG 429 2.115 -8.687 4.077 200 HH22 ARG 429 2HH2 ARG 429 2.879 -9.980 4.939 201 H SER 430 H SER 430 3.212 -1.305 5.059 202 HA SER 430 HA SER 430 0.391 -0.732 4.486 203 HB2 SER 430 2HB SER 430 2.518 1.241 3.698 204 HB3 SER 430 1HB SER 430 0.779 1.488 3.851 205 HG SER 430 HG SER 430 1.133 1.102 6.165 206 H TYR 431 H TYR 431 -0.210 -0.985 2.347 207 HA TYR 431 HA TYR 431 1.851 -2.187 0.636 208 HB2 TYR 431 2HB TYR 431 -1.156 -2.349 0.356 209 HB3 TYR 431 1HB TYR 431 0.039 -3.269 -0.557 210 HD1 TYR 431 2HD TYR 431 -1.000 -2.642 2.980 211 HD2 TYR 431 1HD TYR 431 0.552 -5.415 0.152 212 HE1 TYR 431 2HE TYR 431 -1.055 -4.408 4.692 213 HE2 TYR 431 1HE TYR 431 0.500 -7.189 1.856 214 HH TYR 431 HH TYR 431 -1.224 -7.091 4.561 215 H TYR 432 H TYR 432 2.786 -0.410 -0.276 216 HA TYR 432 HA TYR 432 1.133 1.571 -1.629 217 HB2 TYR 432 2HB TYR 432 4.092 1.341 -1.102 218 HB3 TYR 432 1HB TYR 432 3.429 2.569 -2.176 219 HD1 TYR 432 1HD TYR 432 1.954 4.331 -1.275 220 HD2 TYR 432 2HD TYR 432 3.891 1.528 1.269 221 HE1 TYR 432 1HE TYR 432 1.510 5.788 0.658 222 HE2 TYR 432 2HE TYR 432 3.454 2.975 3.209 223 HH TYR 432 HH TYR 432 2.306 6.201 2.878 224 H LYS 433 H LYS 433 0.421 1.100 -3.616 225 HA LYS 433 HA LYS 433 2.238 -0.401 -5.388 226 HB2 LYS 433 2HB LYS 433 0.421 -1.461 -6.416 227 HB3 LYS 433 1HB LYS 433 0.028 -1.488 -4.704 228 HG2 LYS 433 2HG LYS 433 -1.413 0.504 -5.062 229 HG3 LYS 433 1HG LYS 433 -1.095 0.364 -6.794 230 HD2 LYS 433 2HD LYS 433 -2.267 -1.854 -5.126 231 HD3 LYS 433 1HD LYS 433 -3.242 -0.686 -6.020 232 HE2 LYS 433 2HE LYS 433 -2.824 -1.674 -7.993 233 HE3 LYS 433 1HE LYS 433 -1.129 -1.960 -7.599 234 HZ1 LYS 433 3HZ LYS 433 -2.215 -3.727 -6.002 235 HZ2 LYS 433 1HZ LYS 433 -1.890 -4.085 -7.623 236 HZ3 LYS 433 2HZ LYS 433 -3.458 -3.669 -7.148 237 H CYS 434 H CYS 434 3.002 0.612 -7.096 238 HA CYS 434 HA CYS 434 2.273 3.286 -7.704 239 HB2 CYS 434 2HB CYS 434 4.508 2.788 -8.176 240 HB3 CYS 434 1HB CYS 434 4.110 1.259 -8.942 241 H THR 435 H THR 435 0.836 4.065 -9.081 242 HA THR 435 HA THR 435 -0.585 2.173 -10.836 243 HB THR 435 HB THR 435 -2.501 3.630 -10.751 244 HG1 THR 435 1HG THR 435 -2.333 5.543 -9.328 245 HG21 THR 435 3HG2 THR 435 -1.758 2.119 -8.693 246 HG22 THR 435 1HG2 THR 435 -3.213 3.113 -8.641 247 HG23 THR 435 2HG2 THR 435 -1.727 3.683 -7.882 248 H THR 436 H THR 436 -1.089 2.873 -13.011 249 HA THR 436 HA THR 436 -0.283 5.372 -14.017 250 HB THR 436 HB THR 436 1.450 3.227 -15.164 251 HG1 THR 436 1HG THR 436 2.174 4.769 -12.879 252 HG21 THR 436 3HG2 THR 436 1.507 5.229 -16.379 253 HG22 THR 436 1HG2 THR 436 2.960 5.288 -15.382 254 HG23 THR 436 2HG2 THR 436 1.534 6.217 -14.920 255 HA PRO 437 HA PRO 437 -3.314 4.012 -16.967 256 HB2 PRO 437 2HB PRO 437 -2.351 5.479 -19.143 257 HB3 PRO 437 1HB PRO 437 -3.511 6.055 -17.943 258 HG2 PRO 437 2HG PRO 437 -0.564 6.499 -18.098 259 HG3 PRO 437 1HG PRO 437 -1.845 7.616 -17.590 260 HD2 PRO 437 2HD PRO 437 -0.273 6.421 -15.794 261 HD3 PRO 437 1HD PRO 437 -2.003 6.661 -15.473 262 H GLY 438 H GLY 438 -2.424 1.836 -16.993 263 HA2 GLY 438 2HA GLY 438 -2.088 0.230 -18.790 264 HA3 GLY 438 1HA GLY 438 -0.884 1.322 -19.453 265 H CYS 439 H CYS 439 -0.535 1.340 -16.141 266 HA CYS 439 HA CYS 439 1.224 -0.993 -16.099 267 HB2 CYS 439 2HB CYS 439 3.068 0.248 -16.265 268 HB3 CYS 439 1HB CYS 439 2.122 1.727 -16.268 269 H GLY 440 H GLY 440 1.900 -1.657 -14.026 270 HA2 GLY 440 2HA GLY 440 0.666 -0.521 -11.666 271 HA3 GLY 440 1HA GLY 440 0.000 -2.075 -12.145 272 H VAL 441 H VAL 441 2.325 -0.554 -10.300 273 HA VAL 441 HA VAL 441 3.839 -3.068 -10.017 274 HB VAL 441 HB VAL 441 4.838 -0.230 -10.038 275 HG11 VAL 441 1HG1 VAL 441 6.183 -2.587 -8.722 276 HG12 VAL 441 2HG1 VAL 441 5.700 -1.068 -7.964 277 HG13 VAL 441 3HG1 VAL 441 7.005 -1.086 -9.150 278 HG21 VAL 441 3HG2 VAL 441 5.614 -2.791 -11.400 279 HG22 VAL 441 1HG2 VAL 441 6.641 -1.357 -11.412 280 HG23 VAL 441 2HG2 VAL 441 5.031 -1.294 -12.128 281 H ARG 442 H ARG 442 4.607 -3.521 -7.830 282 HA ARG 442 HA ARG 442 2.997 -2.123 -5.799 283 HB2 ARG 442 2HB ARG 442 3.430 -5.001 -6.326 284 HB3 ARG 442 1HB ARG 442 3.437 -4.515 -4.636 285 HG2 ARG 442 2HG ARG 442 1.229 -3.343 -5.135 286 HG3 ARG 442 1HG ARG 442 1.220 -4.264 -6.641 287 HD2 ARG 442 2HD ARG 442 0.924 -5.198 -3.829 288 HD3 ARG 442 1HD ARG 442 0.032 -5.670 -5.273 289 HE ARG 442 HE ARG 442 2.316 -6.954 -4.204 290 HH11 ARG 442 1HH1 ARG 442 0.837 -6.090 -7.244 291 HH12 ARG 442 2HH1 ARG 442 1.567 -7.397 -8.113 292 HH21 ARG 442 1HH2 ARG 442 3.274 -8.673 -5.342 293 HH22 ARG 442 2HH2 ARG 442 2.949 -8.866 -7.033 294 H LYS 443 H LYS 443 3.856 -1.798 -3.774 295 HA LYS 443 HA LYS 443 6.689 -2.385 -3.352 296 HB2 LYS 443 2HB LYS 443 6.888 -0.179 -4.138 297 HB3 LYS 443 1HB LYS 443 5.408 0.336 -3.349 298 HG2 LYS 443 2HG LYS 443 6.457 0.334 -1.209 299 HG3 LYS 443 1HG LYS 443 7.899 -0.452 -1.856 300 HD2 LYS 443 2HD LYS 443 8.307 1.920 -1.532 301 HD3 LYS 443 1HD LYS 443 8.326 1.527 -3.252 302 HE2 LYS 443 2HE LYS 443 6.034 2.341 -3.468 303 HE3 LYS 443 1HE LYS 443 6.002 2.723 -1.748 304 HZ1 LYS 443 3HZ LYS 443 7.372 4.511 -2.023 305 HZ2 LYS 443 1HZ LYS 443 6.567 4.543 -3.512 306 HZ3 LYS 443 2HZ LYS 443 8.122 3.887 -3.404 307 H HIS 444 H HIS 444 7.200 -2.803 -1.218 308 HA HIS 444 HA HIS 444 4.911 -2.786 0.639 309 HB2 HIS 444 2HB HIS 444 7.112 -4.726 0.151 310 HB3 HIS 444 1HB HIS 444 6.555 -4.542 1.811 311 HD1 HIS 444 1HD HIS 444 5.410 -5.704 -1.572 312 HD2 HIS 444 2HD HIS 444 4.056 -5.631 2.357 313 HE1 HIS 444 1HE HIS 444 3.378 -7.185 -1.533 314 HE2 HIS 444 2HE HIS 444 2.612 -7.176 0.867 315 H VAL 445 H VAL 445 5.226 -2.202 2.797 316 HA VAL 445 HA VAL 445 7.784 -0.947 3.487 317 HB VAL 445 HB VAL 445 5.150 0.409 4.052 318 HG11 VAL 445 1HG1 VAL 445 7.943 1.529 4.122 319 HG12 VAL 445 2HG1 VAL 445 7.132 0.845 5.532 320 HG13 VAL 445 3HG1 VAL 445 6.464 2.269 4.734 321 HG21 VAL 445 3HG2 VAL 445 7.125 1.172 1.909 322 HG22 VAL 445 1HG2 VAL 445 5.571 1.930 2.255 323 HG23 VAL 445 2HG2 VAL 445 5.627 0.291 1.604 324 H GLU 446 H GLU 446 8.455 -1.685 5.386 325 HA GLU 446 HA GLU 446 6.467 -2.341 7.442 326 HB2 GLU 446 2HB GLU 446 8.522 -4.147 6.258 327 HB3 GLU 446 1HB GLU 446 8.192 -4.284 7.979 328 HG2 GLU 446 2HG GLU 446 5.779 -4.192 6.357 329 HG3 GLU 446 1HG GLU 446 6.833 -5.550 5.967 330 H ARG 447 H ARG 447 7.382 -2.496 9.610 331 HA ARG 447 HA ARG 447 9.749 -0.771 9.905 332 HB2 ARG 447 2HB ARG 447 7.307 -1.037 11.661 333 HB3 ARG 447 1HB ARG 447 8.753 -0.155 12.133 334 HG2 ARG 447 2HG ARG 447 7.913 1.645 11.161 335 HG3 ARG 447 1HG ARG 447 8.055 0.829 9.605 336 HD2 ARG 447 2HD ARG 447 5.727 -0.156 10.905 337 HD3 ARG 447 1HD ARG 447 5.700 1.604 11.000 338 HE ARG 447 HE ARG 447 5.317 0.003 8.666 339 HH11 ARG 447 1HH1 ARG 447 6.495 3.092 9.790 340 HH12 ARG 447 2HH1 ARG 447 6.199 3.890 8.283 341 HH21 ARG 447 1HH2 ARG 447 4.929 1.051 6.691 342 HH22 ARG 447 2HH2 ARG 447 5.311 2.733 6.522 343 H ALA 448 H ALA 448 11.428 -1.534 11.012 344 HA ALA 448 HA ALA 448 11.399 -4.275 11.884 345 HB1 ALA 448 1HB ALA 448 13.804 -3.805 12.473 346 HB2 ALA 448 2HB ALA 448 13.551 -2.175 11.851 347 HB3 ALA 448 3HB ALA 448 13.367 -3.564 10.782 348 H ALA 449 H ALA 449 10.726 -4.906 13.802 349 HA ALA 449 HA ALA 449 9.890 -3.428 15.914 350 HB1 ALA 449 1HB ALA 449 10.791 -5.546 17.297 351 HB2 ALA 449 2HB ALA 449 10.868 -6.200 15.663 352 HB3 ALA 449 3HB ALA 449 9.338 -5.586 16.298 353 H THR 450 H THR 450 13.213 -4.621 15.470 354 HA THR 450 HA THR 450 14.089 -3.087 17.794 355 HB THR 450 HB THR 450 14.971 -5.327 17.659 356 HG1 THR 450 1HG THR 450 17.030 -3.506 16.903 357 HG21 THR 450 3HG2 THR 450 14.813 -5.813 15.329 358 HG22 THR 450 1HG2 THR 450 16.518 -5.925 15.763 359 HG23 THR 450 2HG2 THR 450 15.915 -4.501 14.917 360 H ASP 451 H ASP 451 13.272 -1.909 15.113 361 HA ASP 451 HA ASP 451 15.131 0.194 15.048 362 HB2 ASP 451 2HB ASP 451 16.331 -1.841 13.860 363 HB3 ASP 451 1HB ASP 451 15.337 -1.348 12.494 364 HA PRO 452 HA PRO 452 10.880 0.811 13.203 365 HB2 PRO 452 2HB PRO 452 11.038 3.224 14.897 366 HB3 PRO 452 1HB PRO 452 9.749 2.024 14.769 367 HG2 PRO 452 2HG PRO 452 11.332 2.150 16.927 368 HG3 PRO 452 1HG PRO 452 10.738 0.602 16.296 369 HD2 PRO 452 2HD PRO 452 13.435 1.863 15.995 370 HD3 PRO 452 1HD PRO 452 13.010 0.161 16.273 371 H LYS 453 H LYS 453 13.761 2.740 13.518 372 HA LYS 453 HA LYS 453 12.869 4.767 11.668 373 HB2 LYS 453 2HB LYS 453 14.717 5.945 12.282 374 HB3 LYS 453 1HB LYS 453 14.635 4.867 13.666 375 HG2 LYS 453 2HG LYS 453 16.180 3.374 12.097 376 HG3 LYS 453 1HG LYS 453 16.585 4.960 11.444 377 HD2 LYS 453 2HD LYS 453 17.151 5.732 13.706 378 HD3 LYS 453 1HD LYS 453 16.767 4.130 14.339 379 HE2 LYS 453 2HE LYS 453 19.059 4.992 12.620 380 HE3 LYS 453 1HE LYS 453 19.074 4.048 14.109 381 HZ1 LYS 453 3HZ LYS 453 18.447 3.174 11.369 382 HZ2 LYS 453 1HZ LYS 453 17.805 2.327 12.686 383 HZ3 LYS 453 2HZ LYS 453 19.482 2.468 12.505 384 H ALA 454 H ALA 454 14.439 1.708 11.460 385 HA ALA 454 HA ALA 454 15.953 2.046 9.133 386 HB1 ALA 454 1HB ALA 454 16.109 0.105 10.656 387 HB2 ALA 454 2HB ALA 454 15.948 -0.356 8.961 388 HB3 ALA 454 3HB ALA 454 14.557 -0.464 10.040 389 H VAL 455 H VAL 455 12.818 0.391 9.365 390 HA VAL 455 HA VAL 455 11.060 0.238 7.924 391 HB VAL 455 HB VAL 455 12.223 2.682 6.583 392 HG11 VAL 455 1HG1 VAL 455 9.555 2.891 6.294 393 HG12 VAL 455 2HG1 VAL 455 9.735 1.137 6.252 394 HG13 VAL 455 3HG1 VAL 455 10.613 2.142 5.098 395 HG21 VAL 455 3HG2 VAL 455 10.026 2.722 8.619 396 HG22 VAL 455 1HG2 VAL 455 11.051 4.044 8.063 397 HG23 VAL 455 2HG2 VAL 455 11.720 2.790 9.108 398 H VAL 456 H VAL 456 10.845 -1.241 6.366 399 HA VAL 456 HA VAL 456 13.062 -1.589 4.471 400 HB VAL 456 HB VAL 456 12.536 -3.851 4.282 401 HG11 VAL 456 1HG1 VAL 456 12.749 -4.676 6.414 402 HG12 VAL 456 2HG1 VAL 456 11.572 -3.546 7.084 403 HG13 VAL 456 3HG1 VAL 456 13.191 -2.987 6.661 404 HG21 VAL 456 3HG2 VAL 456 10.339 -4.750 5.307 405 HG22 VAL 456 1HG2 VAL 456 10.281 -3.949 3.736 406 HG23 VAL 456 2HG2 VAL 456 9.791 -3.077 5.188 407 H THR 457 H THR 457 12.761 -1.559 2.281 408 HA THR 457 HA THR 457 10.023 -1.118 1.301 409 HB THR 457 HB THR 457 12.224 0.347 -0.061 410 HG1 THR 457 1HG THR 457 11.134 1.030 2.471 411 HG21 THR 457 3HG2 THR 457 10.521 1.794 -0.723 412 HG22 THR 457 1HG2 THR 457 9.492 1.360 0.641 413 HG23 THR 457 2HG2 THR 457 9.714 0.225 -0.691 414 H THR 458 H THR 458 9.530 -2.664 -0.080 415 HA THR 458 HA THR 458 11.654 -3.780 -1.794 416 HB THR 458 HB THR 458 9.109 -5.256 -1.216 417 HG1 THR 458 1HG THR 458 11.368 -4.994 0.479 418 HG21 THR 458 3HG2 THR 458 10.402 -7.190 -1.723 419 HG22 THR 458 1HG2 THR 458 11.910 -6.279 -1.652 420 HG23 THR 458 2HG2 THR 458 10.768 -5.993 -2.965 421 H TYR 459 H TYR 459 11.415 -3.592 -3.942 422 HA TYR 459 HA TYR 459 8.875 -2.521 -4.953 423 HB2 TYR 459 2HB TYR 459 11.697 -2.435 -6.000 424 HB3 TYR 459 1HB TYR 459 10.323 -2.063 -7.035 425 HD1 TYR 459 1HD TYR 459 8.795 -0.149 -6.363 426 HD2 TYR 459 2HD TYR 459 12.576 -0.826 -4.530 427 HE1 TYR 459 1HE TYR 459 8.810 2.169 -5.545 428 HE2 TYR 459 2HE TYR 459 12.596 1.490 -3.703 429 HH TYR 459 HH TYR 459 10.338 3.846 -4.782 430 H GLU 460 H GLU 460 7.534 -3.866 -5.933 431 HA GLU 460 HA GLU 460 8.649 -6.251 -7.264 432 HB2 GLU 460 2HB GLU 460 5.953 -5.962 -5.930 433 HB3 GLU 460 1HB GLU 460 6.567 -7.413 -6.710 434 HG2 GLU 460 2HG GLU 460 7.770 -8.007 -4.928 435 HG3 GLU 460 1HG GLU 460 8.333 -6.361 -4.643 436 H GLY 461 H GLY 461 8.603 -5.914 -9.404 437 HA2 GLY 461 2HA GLY 461 7.150 -6.045 -11.354 438 HA3 GLY 461 1HA GLY 461 6.076 -4.909 -10.557 439 H LYS 462 H LYS 462 7.569 -4.925 -13.185 440 HA LYS 462 HA LYS 462 9.279 -2.579 -12.900 441 HB2 LYS 462 2HB LYS 462 9.515 -4.763 -14.485 442 HB3 LYS 462 1HB LYS 462 8.704 -3.663 -15.591 443 HG2 LYS 462 2HG LYS 462 10.952 -2.464 -14.157 444 HG3 LYS 462 1HG LYS 462 11.395 -3.813 -15.205 445 HD2 LYS 462 2HD LYS 462 9.729 -1.458 -16.085 446 HD3 LYS 462 1HD LYS 462 11.474 -1.581 -16.318 447 HE2 LYS 462 2HE LYS 462 11.286 -3.200 -17.920 448 HE3 LYS 462 1HE LYS 462 9.779 -3.833 -17.259 449 HZ1 LYS 462 3HZ LYS 462 10.154 -1.960 -19.342 450 HZ2 LYS 462 1HZ LYS 462 9.240 -1.254 -18.107 451 HZ3 LYS 462 2HZ LYS 462 8.725 -2.696 -18.821 452 H HIS 463 H HIS 463 8.979 -0.740 -14.386 453 HA HIS 463 HA HIS 463 6.120 -0.127 -14.663 454 HB2 HIS 463 2HB HIS 463 8.460 1.788 -14.695 455 HB3 HIS 463 1HB HIS 463 6.752 2.212 -14.624 456 HD2 HIS 463 2HD HIS 463 9.511 0.697 -12.276 457 HE1 HIS 463 1HE HIS 463 6.226 1.965 -9.911 458 HE2 HIS 463 2HE HIS 463 8.570 1.045 -9.893 459 H ASN 464 H ASN 464 5.213 0.121 -16.595 460 HA ASN 464 HA ASN 464 6.964 0.104 -18.955 461 HB2 ASN 464 2HB ASN 464 4.167 -0.874 -18.464 462 HB3 ASN 464 1HB ASN 464 4.704 -0.510 -20.103 463 HD21 ASN 464 1HD2 ASN 464 3.909 -3.048 -19.187 464 HD22 ASN 464 2HD2 ASN 464 5.275 -4.103 -19.277 465 H HIS 465 H HIS 465 7.123 2.495 -18.179 466 HA HIS 465 HA HIS 465 5.768 4.081 -20.089 467 HB2 HIS 465 2HB HIS 465 4.506 5.535 -18.511 468 HB3 HIS 465 1HB HIS 465 3.866 3.898 -18.613 469 HD1 HIS 465 1HD HIS 465 5.698 6.207 -16.288 470 HD2 HIS 465 2HD HIS 465 3.982 2.428 -16.263 471 HE1 HIS 465 1HE HIS 465 5.637 5.509 -13.873 472 H ASP 466 H ASP 466 6.404 6.328 -20.021 473 HA ASP 466 HA ASP 466 9.110 6.680 -19.326 474 HB2 ASP 466 2HB ASP 466 8.401 9.217 -19.699 475 HB3 ASP 466 1HB ASP 466 8.569 8.099 -21.040 476 H LEU 467 H LEU 467 6.506 8.764 -18.188 477 HA LEU 467 HA LEU 467 7.001 8.331 -15.425 478 HB2 LEU 467 2HB LEU 467 8.895 9.924 -16.548 479 HB3 LEU 467 1HB LEU 467 7.708 11.117 -16.059 480 HG LEU 467 HG LEU 467 9.456 10.797 -14.365 481 HD11 LEU 467 1HD1 LEU 467 7.844 11.483 -13.012 482 HD12 LEU 467 2HD1 LEU 467 7.497 9.792 -12.648 483 HD13 LEU 467 3HD1 LEU 467 6.619 10.617 -13.937 484 HD21 LEU 467 3HD2 LEU 467 10.252 8.726 -14.137 485 HD22 LEU 467 1HD2 LEU 467 8.792 7.993 -14.799 486 HD23 LEU 467 2HD2 LEU 467 8.857 8.443 -13.096 487 HA PRO 468 HA PRO 468 2.796 9.858 -15.796 488 HB2 PRO 468 2HB PRO 468 2.916 9.758 -12.836 489 HB3 PRO 468 1HB PRO 468 1.773 8.990 -13.944 490 HG2 PRO 468 2HG PRO 468 3.643 7.560 -12.678 491 HG3 PRO 468 1HG PRO 468 3.169 7.189 -14.348 492 HD2 PRO 468 2HD PRO 468 5.596 8.615 -13.335 493 HD3 PRO 468 1HD PRO 468 5.448 7.450 -14.665 494 H ALA 469 H ALA 469 3.694 11.944 -16.499 495 HA ALA 469 HA ALA 469 4.150 13.922 -14.411 496 HB1 ALA 469 1HB ALA 469 4.072 14.661 -17.291 497 HB2 ALA 469 2HB ALA 469 5.397 13.648 -16.720 498 HB3 ALA 469 3HB ALA 469 5.130 15.238 -16.004 499 H5' DC 3 H5' DC 3 -4.576 13.962 -9.523 500 H5'' DC 3 H5" DC 3 -3.107 12.997 -9.763 501 H4' DC 3 H4' DC 3 -3.337 12.406 -7.643 502 H3' DC 3 H3' DC 3 -5.398 10.677 -8.942 503 H2' DC 3 H2' DC 3 -6.485 10.261 -6.906 504 H2'' DC 3 H2" DC 3 -4.989 10.358 -5.990 505 H1' DC 3 H1' DC 3 -5.345 12.547 -5.454 506 H41 DC 3 1H4 DC 3 -11.428 14.238 -5.023 507 H42 DC 3 2H4 DC 3 -11.882 13.137 -6.303 508 H5 DC 3 5H DC 3 -10.268 11.817 -7.537 509 H6 DC 3 6H DC 3 -7.899 11.283 -7.783 510 H5' DC 4 H5' DC 4 -2.623 10.314 -5.687 511 H5'' DC 4 H5" DC 4 -1.989 8.742 -5.160 512 H4' DC 4 H4' DC 4 -2.555 10.303 -3.317 513 H3' DC 4 H3' DC 4 -2.912 7.593 -3.281 514 H2' DC 4 H2' DC 4 -5.263 7.539 -3.686 515 H2'' DC 4 H2" DC 4 -5.271 7.705 -1.935 516 H1' DC 4 H1' DC 4 -5.569 10.086 -2.023 517 H41 DC 4 1H4 DC 4 -11.279 10.417 -4.720 518 H42 DC 4 2H4 DC 4 -10.777 9.434 -6.077 519 H5 DC 4 5H DC 4 -8.528 8.568 -6.313 520 H6 DC 4 6H DC 4 -6.312 8.463 -5.293 521 H5' DT 5 H5' DT 5 -4.134 10.146 0.196 522 H5'' DT 5 H5" DT 5 -2.912 9.777 1.430 523 H4' DT 5 H4' DT 5 -4.658 10.773 2.601 524 H3' DT 5 H3' DT 5 -3.980 8.311 3.413 525 H2' DT 5 H2' DT 5 -5.591 7.038 2.184 526 H2'' DT 5 H2" DT 5 -6.482 7.308 3.675 527 H1' DT 5 H1' DT 5 -7.749 9.103 2.769 528 H3 DT 5 3H DT 5 -10.587 7.772 -0.414 529 H71 DT 5 1H7 DT 5 -5.804 5.526 -1.469 530 H72 DT 5 2H7 DT 5 -7.331 4.821 -2.052 531 H73 DT 5 3H7 DT 5 -6.653 6.258 -2.852 532 H6 DT 5 6H DT 5 -5.913 7.092 0.263 533 H5' DT 6 H5' DT 6 -7.338 8.611 6.195 534 H5'' DT 6 H5" DT 6 -6.763 8.515 7.872 535 H4' DT 6 H4' DT 6 -7.892 6.637 8.091 536 H3' DT 6 H3' DT 6 -5.807 5.629 6.190 537 H2' DT 6 H2' DT 6 -7.103 3.710 5.704 538 H2'' DT 6 H2" DT 6 -7.948 3.775 7.242 539 H1' DT 6 H1' DT 6 -9.682 4.894 6.249 540 H3 DT 6 3H DT 6 -11.051 5.023 1.980 541 H71 DT 6 1H7 DT 6 -6.864 4.021 0.407 542 H72 DT 6 2H7 DT 6 -6.009 5.314 1.282 543 H73 DT 6 3H7 DT 6 -5.936 3.638 1.876 544 H6 DT 6 6H DT 6 -6.763 4.741 4.048 545 H5' DT 7 H5' DT 7 -7.148 3.062 10.245 546 H5'' DT 7 H5" DT 7 -6.471 1.430 10.052 547 H4' DT 7 H4' DT 7 -9.127 2.077 10.106 548 H3' DT 7 H3' DT 7 -7.821 -0.277 10.109 549 H2' DT 7 H2' DT 7 -7.379 -0.453 7.761 550 H2'' DT 7 H2" DT 7 -8.921 -1.293 7.859 551 H1' DT 7 H1' DT 7 -10.169 0.631 7.164 552 H3 DT 7 3H DT 7 -9.437 1.066 2.799 553 H71 DT 7 1H7 DT 7 -5.029 2.256 3.389 554 H72 DT 7 2H7 DT 7 -4.644 0.778 4.303 555 H73 DT 7 3H7 DT 7 -4.820 2.331 5.155 556 H6 DT 7 6H DT 7 -6.558 1.278 6.594 557 H5' DG 8 H5' DG 8 -12.916 -1.115 9.777 558 H5'' DG 8 H5" DG 8 -12.818 -2.469 10.920 559 H4' DG 8 H4' DG 8 -14.510 -2.715 9.092 560 H3' DG 8 H3' DG 8 -13.210 -4.722 10.266 561 H2' DG 8 H2' DG 8 -11.277 -4.801 8.847 562 H2'' DG 8 H2" DG 8 -12.306 -5.988 8.059 563 H1' DG 8 H1' DG 8 -13.027 -4.460 6.379 564 H8 DG 8 8H DG 8 -9.773 -3.525 8.201 565 H1 DG 8 1H DG 8 -9.686 -2.807 1.828 566 H21 DG 8 1H2 DG 8 -11.676 -3.196 0.988 567 H22 DG 8 2H2 DG 8 -13.042 -3.632 1.989 568 H5' DA 9 H5' DA 9 -16.089 -5.688 6.594 569 H5'' DA 9 H5" DA 9 -17.035 -7.067 7.193 570 H4' DA 9 H4' DA 9 -17.006 -7.044 4.780 571 H3' DA 9 H3' DA 9 -16.632 -9.314 6.146 572 H2' DA 9 H2' DA 9 -14.232 -9.271 6.249 573 H2'' DA 9 H2" DA 9 -14.486 -10.244 4.809 574 H1' DA 9 H1' DA 9 -14.137 -8.393 3.328 575 H8 DA 9 8H DA 9 -12.680 -7.953 6.868 576 H61 DA 9 2H6 DA 9 -8.175 -6.675 5.550 577 H62 DA 9 1H6 DA 9 -7.420 -6.384 4.000 578 H2 DA 9 2H DA 9 -10.576 -7.018 0.877 579 H5' DC 10 H5' DC 10 -16.704 -9.523 1.185 580 H5'' DC 10 H5" DC 10 -17.767 -10.944 1.121 581 H4' DC 10 H4' DC 10 -16.466 -10.711 -0.913 582 H3' DC 10 H3' DC 10 -16.853 -13.088 0.264 583 H2' DC 10 H2' DC 10 -14.859 -13.278 1.550 584 H2'' DC 10 H2" DC 10 -14.279 -13.965 0.041 585 H1' DC 10 H1' DC 10 -13.151 -12.010 -0.605 586 H41 DC 10 1H4 DC 10 -9.398 -10.519 4.278 587 H42 DC 10 2H4 DC 10 -10.688 -10.786 5.425 588 H5 DC 10 5H DC 10 -12.928 -11.419 4.773 589 H6 DC 10 6H DC 10 -14.394 -11.905 2.886 590 H5' DC 11 H5' DC 11 -14.503 -13.665 -4.090 591 H5'' DC 11 H5" DC 11 -15.107 -15.243 -4.634 592 H4' DC 11 H4' DC 11 -12.721 -14.871 -5.123 593 H3' DC 11 H3' DC 11 -13.797 -17.240 -4.296 594 H2' DC 11 H2' DC 11 -13.123 -17.141 -2.004 595 H2'' DC 11 H2" DC 11 -11.705 -17.909 -2.703 596 H1' DC 11 H1' DC 11 -10.514 -15.824 -2.906 597 H41 DC 11 1H4 DC 11 -9.818 -14.232 3.184 598 H42 DC 11 2H4 DC 11 -11.514 -14.496 3.511 599 H5 DC 11 5H DC 11 -13.100 -15.178 1.820 600 H6 DC 11 6H DC 11 -13.389 -15.726 -0.540 601 H5' DA 12 H5' DA 12 -9.314 -16.875 -5.173 602 H5'' DA 12 H5" DA 12 -9.203 -17.827 -6.669 603 H4' DA 12 H4' DA 12 -7.020 -17.777 -5.934 604 H3' DA 12 H3' DA 12 -8.021 -20.235 -6.065 605 H2' DA 12 H2' DA 12 -8.867 -20.411 -3.830 606 H2'' DA 12 H2" DA 12 -7.285 -21.150 -3.642 607 H1' DA 12 H1' DA 12 -6.315 -19.175 -2.718 608 H8 DA 12 8H DA 12 -10.156 -19.332 -2.588 609 H61 DA 12 2H6 DA 12 -10.690 -18.120 2.095 610 H62 DA 12 1H6 DA 12 -9.562 -17.625 3.338 611 H2 DA 12 2H DA 12 -5.494 -17.570 1.455 612 H5' DT 21 H5' DT 21 -2.501 -17.726 10.064 613 H5'' DT 21 H5" DT 21 -2.529 -15.979 10.368 614 H4' DT 21 H4' DT 21 -1.148 -16.976 8.395 615 H3' DT 21 H3' DT 21 -1.845 -14.433 8.892 616 H2' DT 21 H2' DT 21 -3.999 -14.452 7.824 617 H2'' DT 21 H2" DT 21 -2.981 -13.865 6.518 618 H1' DT 21 H1' DT 21 -2.788 -16.042 5.515 619 H3 DT 21 3H DT 21 -6.647 -16.961 3.543 620 H71 DT 21 1H7 DT 21 -8.373 -15.181 7.953 621 H72 DT 21 2H7 DT 21 -7.818 -16.683 8.726 622 H73 DT 21 3H7 DT 21 -9.058 -16.744 7.450 623 H6 DT 21 6H DT 21 -5.508 -15.827 8.021 624 H5' DG 22 H5' DG 22 -0.050 -15.170 3.976 625 H5'' DG 22 H5" DG 22 1.078 -13.841 4.324 626 H4' DG 22 H4' DG 22 0.583 -13.641 2.054 627 H3' DG 22 H3' DG 22 -0.693 -11.619 3.778 628 H2' DG 22 H2' DG 22 -2.275 -10.891 2.191 629 H2'' DG 22 H2" DG 22 -1.324 -11.458 0.828 630 H1' DG 22 H1' DG 22 -2.758 -13.264 0.812 631 H8 DG 22 8H DG 22 -2.686 -12.467 4.604 632 H1 DG 22 1H DG 22 -8.363 -14.162 2.149 633 H21 DG 22 1H2 DG 22 -8.180 -14.577 0.038 634 H22 DG 22 2H2 DG 22 -6.684 -14.466 -0.846 635 H5' DG 23 H5' DG 23 0.310 -10.634 -0.719 636 H5'' DG 23 H5" DG 23 0.395 -8.866 -0.854 637 H4' DG 23 H4' DG 23 -1.294 -10.292 -2.274 638 H3' DG 23 H3' DG 23 -1.142 -7.606 -1.804 639 H2' DG 23 H2' DG 23 -2.703 -7.437 -0.019 640 H2'' DG 23 H2" DG 23 -3.825 -7.338 -1.371 641 H1' DG 23 H1' DG 23 -4.409 -9.642 -1.252 642 H8 DG 23 8H DG 23 -2.546 -8.890 2.059 643 H1 DG 23 1H DG 23 -8.740 -10.446 2.613 644 H21 DG 23 1H2 DG 23 -9.612 -10.794 0.681 645 H22 DG 23 2H2 DG 23 -8.751 -10.665 -0.823 646 H5' DT 24 H5' DT 24 -4.563 -8.251 -4.220 647 H5'' DT 24 H5" DT 24 -4.615 -7.703 -5.909 648 H4' DT 24 H4' DT 24 -6.524 -6.709 -5.402 649 H3' DT 24 H3' DT 24 -4.615 -4.855 -4.030 650 H2' DT 24 H2' DT 24 -6.360 -3.863 -2.783 651 H2'' DT 24 H2" DT 24 -7.575 -4.262 -3.987 652 H1' DT 24 H1' DT 24 -8.153 -6.131 -2.810 653 H3 DT 24 3H DT 24 -8.094 -6.284 1.635 654 H71 DT 24 1H7 DT 24 -3.043 -5.298 0.030 655 H72 DT 24 2H7 DT 24 -3.404 -5.930 1.654 656 H73 DT 24 3H7 DT 24 -3.707 -4.218 1.277 657 H6 DT 24 6H DT 24 -4.724 -5.371 -1.608 658 H5' DC 25 H5' DC 25 -8.180 -4.346 -6.619 659 H5'' DC 25 H5" DC 25 -8.360 -2.824 -7.515 660 H4' DC 25 H4' DC 25 -10.482 -3.849 -6.668 661 H3' DC 25 H3' DC 25 -10.018 -1.224 -6.994 662 H2' DC 25 H2' DC 25 -9.235 -0.706 -4.790 663 H2'' DC 25 H2" DC 25 -10.954 -0.392 -4.598 664 H1' DC 25 H1' DC 25 -11.374 -2.519 -3.592 665 H41 DC 25 1H4 DC 25 -7.738 -2.303 1.575 666 H42 DC 25 2H4 DC 25 -6.322 -1.860 0.647 667 H5 DC 25 5H DC 25 -6.353 -1.598 -1.758 668 H6 DC 25 6H DC 25 -7.738 -1.740 -3.761 669 H5' DA 26 H5' DA 26 -14.264 -2.242 -4.707 670 H5'' DA 26 H5" DA 26 -15.308 -1.348 -5.832 671 H4' DA 26 H4' DA 26 -16.276 -1.377 -3.622 672 H3' DA 26 H3' DA 26 -16.225 0.865 -5.079 673 H2' DA 26 H2' DA 26 -14.177 1.802 -4.255 674 H2'' DA 26 H2" DA 26 -15.336 2.558 -3.173 675 H1' DA 26 H1' DA 26 -14.924 0.997 -1.413 676 H8 DA 26 8H DA 26 -12.153 1.346 -4.060 677 H61 DA 26 2H6 DA 26 -8.389 1.687 -1.001 678 H62 DA 26 1H6 DA 26 -8.241 1.545 0.736 679 H2 DA 26 2H DA 26 -12.346 0.690 2.323 680 H5' DA 27 H5' DA 27 -18.980 1.775 -0.834 681 H5'' DA 27 H5" DA 27 -20.296 2.484 -1.794 682 H4' DA 27 H4' DA 27 -20.079 3.592 0.351 683 H3' DA 27 H3' DA 27 -20.488 4.966 -1.905 684 H2' DA 27 H2' DA 27 -18.218 5.442 -2.494 685 H2'' DA 27 H2" DA 27 -18.602 6.872 -1.548 686 H1' DA 27 H1' DA 27 -17.528 6.046 0.407 687 H8 DA 27 8H DA 27 -16.413 4.881 -3.021 688 H61 DA 27 2H6 DA 27 -11.654 4.480 -2.127 689 H62 DA 27 1H6 DA 27 -10.697 4.570 -0.665 690 H2 DA 27 2H DA 27 -13.553 5.324 2.708 691 H5' DA 28 H5' DA 28 -19.665 7.768 1.992 692 H5'' DA 28 H5" DA 28 -21.005 8.929 1.861 693 H4' DA 28 H4' DA 28 -19.206 10.082 2.840 694 H3' DA 28 H3' DA 28 -20.302 11.113 0.585 695 H2' DA 28 H2' DA 28 -18.673 10.407 -1.004 696 H2'' DA 28 H2" DA 28 -17.946 11.928 -0.505 697 H1' DA 28 H1' DA 28 -16.438 10.885 1.009 698 H8 DA 28 8H DA 28 -17.843 8.700 -1.825 699 H61 DA 28 2H6 DA 28 -13.658 6.631 -3.179 700 H62 DA 28 1H6 DA 28 -12.035 6.673 -2.526 701 H2 DA 28 2H DA 28 -12.161 9.303 1.102 702 H5' DG 29 H5' DG 29 -17.786 14.585 3.327 703 H5'' DG 29 H5" DG 29 -17.831 16.083 2.374 704 H4' DG 29 H4' DG 29 -15.648 15.121 3.633 705 H3' DG 29 H3' DG 29 -16.097 17.315 2.054 706 H2' DG 29 H2' DG 29 -15.490 16.361 -0.048 707 H2'' DG 29 H2" DG 29 -13.905 16.893 0.497 708 H1' DG 29 H1' DG 29 -13.333 14.728 1.379 709 H8 DG 29 8H DG 29 -16.301 14.233 -1.079 710 H1 DG 29 1H DG 29 -10.756 11.453 -2.717 711 H21 DG 29 1H2 DG 29 -9.220 11.866 -1.209 712 H22 DG 29 2H2 DG 29 -9.542 12.830 0.214 713 H5' DG 30 H5' DG 30 -11.391 17.727 3.990 714 H5'' DG 30 H5" DG 30 -11.735 19.346 4.629 715 H4' DG 30 H4' DG 30 -9.487 19.284 3.821 716 H3' DG 30 H3' DG 30 -11.105 21.308 3.122 717 H2' DG 30 H2' DG 30 -11.879 20.471 1.020 718 H2'' DG 30 H2" DG 30 -10.474 21.386 0.492 719 H1' DG 30 H1' DG 30 -9.085 19.455 0.353 720 H8 DG 30 8H DG 30 -12.867 19.018 0.071 721 H1 DG 30 1H DG 30 -9.402 15.168 -3.710 722 H21 DG 30 1H2 DG 30 -7.271 15.335 -3.227 723 H22 DG 30 2H2 DG 30 -6.678 16.396 -1.968 Start of MODEL 5 1 H LEU 407 H LEU 407 4.385 12.585 0.710 2 HA LEU 407 HA LEU 407 3.992 10.372 1.110 3 HB2 LEU 407 2HB LEU 407 1.942 10.755 -0.718 4 HB3 LEU 407 1HB LEU 407 3.004 9.621 -1.531 5 HG LEU 407 HG LEU 407 1.298 8.409 -0.335 6 HD11 LEU 407 2HD1 LEU 407 4.101 8.105 0.145 7 HD12 LEU 407 3HD1 LEU 407 2.852 6.868 0.002 8 HD13 LEU 407 1HD1 LEU 407 3.199 7.593 1.572 9 HD21 LEU 407 1HD2 LEU 407 2.289 9.836 2.131 10 HD22 LEU 407 2HD2 LEU 407 1.078 8.553 2.095 11 HD23 LEU 407 3HD2 LEU 407 0.742 10.105 1.327 12 H LEU 408 H LEU 408 6.158 11.866 0.115 13 HA LEU 408 HA LEU 408 8.178 11.657 -0.922 14 HB2 LEU 408 2HB LEU 408 7.604 9.288 0.369 15 HB3 LEU 408 1HB LEU 408 8.074 8.755 -1.231 16 HG LEU 408 HG LEU 408 10.067 10.532 -0.655 17 HD11 LEU 408 1HD1 LEU 408 10.752 10.380 1.565 18 HD12 LEU 408 2HD1 LEU 408 9.675 9.025 1.904 19 HD13 LEU 408 3HD1 LEU 408 9.012 10.645 1.681 20 HD21 LEU 408 3HD2 LEU 408 11.359 8.425 -0.004 21 HD22 LEU 408 1HD2 LEU 408 10.587 8.450 -1.589 22 HD23 LEU 408 2HD2 LEU 408 9.840 7.566 -0.259 23 H ASP 409 H ASP 409 6.283 12.340 -2.703 24 HA ASP 409 HA ASP 409 6.260 10.535 -4.951 25 HB2 ASP 409 2HB ASP 409 4.511 12.401 -4.104 26 HB3 ASP 409 1HB ASP 409 5.399 13.356 -5.287 27 H ASP 410 H ASP 410 6.509 12.113 -7.119 28 HA ASP 410 HA ASP 410 7.973 13.705 -8.184 29 HB2 ASP 410 2HB ASP 410 9.367 14.027 -6.122 30 HB3 ASP 410 1HB ASP 410 10.169 12.501 -6.481 31 H GLY 411 H GLY 411 8.862 10.427 -7.225 32 HA2 GLY 411 2HA GLY 411 10.050 9.823 -9.783 33 HA3 GLY 411 1HA GLY 411 9.742 8.682 -8.478 34 H TYR 412 H TYR 412 7.575 7.860 -8.221 35 HA TYR 412 HA TYR 412 5.934 8.067 -10.655 36 HB2 TYR 412 2HB TYR 412 6.493 5.531 -9.100 37 HB3 TYR 412 1HB TYR 412 5.458 5.670 -10.517 38 HD1 TYR 412 2HD TYR 412 7.061 7.365 -12.282 39 HD2 TYR 412 1HD TYR 412 8.259 4.156 -9.762 40 HE1 TYR 412 2HE TYR 412 8.982 6.945 -13.746 41 HE2 TYR 412 1HE TYR 412 10.190 3.724 -11.220 42 HH TYR 412 HH TYR 412 11.589 5.369 -12.959 43 H ARG 413 H ARG 413 3.675 7.658 -10.353 44 HA ARG 413 HA ARG 413 2.724 8.631 -7.812 45 HB2 ARG 413 2HB ARG 413 1.552 8.114 -10.484 46 HB3 ARG 413 1HB ARG 413 0.450 7.967 -9.122 47 HG2 ARG 413 2HG ARG 413 0.856 10.220 -8.454 48 HG3 ARG 413 1HG ARG 413 2.167 10.386 -9.624 49 HD2 ARG 413 2HD ARG 413 0.358 11.462 -10.635 50 HD3 ARG 413 1HD ARG 413 0.396 9.876 -11.400 51 HE ARG 413 HE ARG 413 -1.611 10.883 -9.548 52 HH11 ARG 413 1HH1 ARG 413 -0.354 8.159 -11.343 53 HH12 ARG 413 2HH1 ARG 413 -1.825 7.255 -11.234 54 HH21 ARG 413 1HH2 ARG 413 -3.540 9.688 -9.405 55 HH22 ARG 413 2HH2 ARG 413 -3.632 8.118 -10.135 56 H TRP 414 H TRP 414 2.105 7.458 -6.128 57 HA TRP 414 HA TRP 414 1.560 4.592 -6.556 58 HB2 TRP 414 2HB TRP 414 2.685 5.821 -4.039 59 HB3 TRP 414 1HB TRP 414 2.560 4.109 -4.436 60 HD1 TRP 414 HD TRP 414 4.650 7.216 -5.213 61 HE1 TRP 414 1HE TRP 414 6.839 6.472 -6.351 62 HE3 TRP 414 3HE TRP 414 3.576 2.266 -5.840 63 HZ2 TRP 414 2HZ TRP 414 7.957 4.085 -7.383 64 HZ3 TRP 414 3HZ TRP 414 5.252 0.816 -6.917 65 HH2 TRP 414 HH TRP 414 7.397 1.709 -7.669 66 H ARG 415 H ARG 415 -0.204 3.694 -5.664 67 HA ARG 415 HA ARG 415 -2.019 5.491 -4.204 68 HB2 ARG 415 2HB ARG 415 -2.716 4.542 -6.474 69 HB3 ARG 415 1HB ARG 415 -2.823 2.983 -5.669 70 HG2 ARG 415 2HG ARG 415 -4.256 4.816 -4.082 71 HG3 ARG 415 1HG ARG 415 -4.732 5.101 -5.756 72 HD2 ARG 415 2HD ARG 415 -5.016 2.569 -5.924 73 HD3 ARG 415 1HD ARG 415 -4.918 2.560 -4.163 74 HE ARG 415 HE ARG 415 -6.832 4.418 -4.725 75 HH11 ARG 415 1HH1 ARG 415 -6.367 1.056 -5.533 76 HH12 ARG 415 2HH1 ARG 415 -8.062 0.713 -5.623 77 HH21 ARG 415 1HH2 ARG 415 -9.062 3.971 -4.841 78 HH22 ARG 415 2HH2 ARG 415 -9.594 2.369 -5.230 79 H LYS 416 H LYS 416 -2.227 5.086 -2.117 80 HA LYS 416 HA LYS 416 -1.143 2.821 -0.832 81 HB2 LYS 416 2HB LYS 416 -1.373 4.925 0.343 82 HB3 LYS 416 1HB LYS 416 -3.115 4.901 0.129 83 HG2 LYS 416 2HG LYS 416 -3.109 2.768 1.504 84 HG3 LYS 416 1HG LYS 416 -1.436 3.164 1.908 85 HD2 LYS 416 2HD LYS 416 -3.603 5.194 2.279 86 HD3 LYS 416 1HD LYS 416 -3.353 3.931 3.484 87 HE2 LYS 416 2HE LYS 416 -1.949 5.488 4.349 88 HE3 LYS 416 1HE LYS 416 -0.828 4.742 3.210 89 HZ1 LYS 416 3HZ LYS 416 -2.419 6.869 2.085 90 HZ2 LYS 416 1HZ LYS 416 -0.755 6.580 1.966 91 HZ3 LYS 416 2HZ LYS 416 -1.382 7.372 3.322 92 H TYR 417 H TYR 417 -2.073 0.951 -0.067 93 HA TYR 417 HA TYR 417 -4.916 0.582 -0.141 94 HB2 TYR 417 2HB TYR 417 -5.179 -0.872 -1.914 95 HB3 TYR 417 1HB TYR 417 -3.994 0.255 -2.555 96 HD1 TYR 417 2HD TYR 417 -4.286 -3.072 -0.899 97 HD2 TYR 417 1HD TYR 417 -1.984 -0.544 -3.429 98 HE1 TYR 417 2HE TYR 417 -2.793 -4.957 -1.413 99 HE2 TYR 417 1HE TYR 417 -0.486 -2.422 -3.953 100 HH TYR 417 HH TYR 417 -1.079 -5.367 -3.730 101 H GLY 418 H GLY 418 -5.571 -0.812 1.297 102 HA2 GLY 418 2HA GLY 418 -5.599 -2.521 2.828 103 HA3 GLY 418 1HA GLY 418 -4.233 -3.219 1.978 104 H GLN 419 H GLN 419 -4.142 -3.650 4.510 105 HA GLN 419 HA GLN 419 -1.783 -2.423 5.413 106 HB2 GLN 419 2HB GLN 419 -3.267 -0.533 5.928 107 HB3 GLN 419 1HB GLN 419 -4.297 -1.595 6.880 108 HG2 GLN 419 2HG GLN 419 -3.085 -1.046 8.647 109 HG3 GLN 419 1HG GLN 419 -1.754 -1.956 7.935 110 HE21 GLN 419 1HE2 GLN 419 -3.201 1.224 8.225 111 HE22 GLN 419 2HE2 GLN 419 -1.763 2.119 7.881 112 H LYS 420 H LYS 420 -0.864 -4.166 6.244 113 HA LYS 420 HA LYS 420 -2.451 -5.887 8.036 114 HB2 LYS 420 2HB LYS 420 -1.780 -6.715 5.614 115 HB3 LYS 420 1HB LYS 420 -0.237 -7.037 6.393 116 HG2 LYS 420 2HG LYS 420 -1.148 -9.026 6.830 117 HG3 LYS 420 1HG LYS 420 -1.937 -8.174 8.160 118 HD2 LYS 420 2HD LYS 420 -3.917 -7.838 6.829 119 HD3 LYS 420 1HD LYS 420 -3.124 -8.514 5.407 120 HE2 LYS 420 2HE LYS 420 -4.280 -9.871 7.772 121 HE3 LYS 420 1HE LYS 420 -4.276 -10.357 6.079 122 HZ1 LYS 420 3HZ LYS 420 -2.054 -10.606 8.029 123 HZ2 LYS 420 1HZ LYS 420 -1.863 -10.856 6.367 124 HZ3 LYS 420 2HZ LYS 420 -2.894 -11.856 7.260 125 H VAL 421 H VAL 421 -1.292 -6.907 9.756 126 HA VAL 421 HA VAL 421 1.315 -5.654 10.309 127 HB VAL 421 HB VAL 421 0.800 -5.290 12.483 128 HG11 VAL 421 1HG1 VAL 421 -2.094 -5.584 11.925 129 HG12 VAL 421 2HG1 VAL 421 -1.167 -4.499 10.889 130 HG13 VAL 421 3HG1 VAL 421 -1.204 -4.236 12.633 131 HG21 VAL 421 3HG2 VAL 421 -0.860 -7.794 12.375 132 HG22 VAL 421 1HG2 VAL 421 -0.864 -6.717 13.773 133 HG23 VAL 421 2HG2 VAL 421 0.633 -7.501 13.269 134 H VAL 422 H VAL 422 2.966 -6.918 11.139 135 HA VAL 422 HA VAL 422 2.475 -9.823 11.084 136 HB VAL 422 HB VAL 422 4.901 -10.016 10.360 137 HG11 VAL 422 1HG1 VAL 422 3.236 -10.536 8.774 138 HG12 VAL 422 2HG1 VAL 422 4.333 -9.420 7.961 139 HG13 VAL 422 3HG1 VAL 422 2.783 -8.843 8.576 140 HG21 VAL 422 3HG2 VAL 422 4.479 -7.086 9.782 141 HG22 VAL 422 1HG2 VAL 422 5.817 -8.053 9.162 142 HG23 VAL 422 2HG2 VAL 422 5.652 -7.785 10.897 143 H LYS 423 H LYS 423 3.623 -11.124 12.518 144 HA LYS 423 HA LYS 423 4.277 -9.886 15.023 145 HB2 LYS 423 2HB LYS 423 4.879 -12.347 15.600 146 HB3 LYS 423 1HB LYS 423 3.196 -11.923 15.326 147 HG2 LYS 423 2HG LYS 423 4.640 -12.787 12.927 148 HG3 LYS 423 1HG LYS 423 4.478 -14.018 14.179 149 HD2 LYS 423 2HD LYS 423 2.220 -14.143 13.955 150 HD3 LYS 423 1HD LYS 423 2.059 -12.435 13.539 151 HE2 LYS 423 2HE LYS 423 2.973 -12.913 11.307 152 HE3 LYS 423 1HE LYS 423 3.081 -14.622 11.729 153 HZ1 LYS 423 3HZ LYS 423 0.504 -14.018 12.289 154 HZ2 LYS 423 1HZ LYS 423 1.045 -14.747 10.860 155 HZ3 LYS 423 2HZ LYS 423 0.797 -13.075 10.916 156 H GLY 424 H GLY 424 6.363 -10.997 16.144 157 HA2 GLY 424 2HA GLY 424 8.673 -11.023 16.223 158 HA3 GLY 424 1HA GLY 424 8.649 -11.397 14.502 159 H ASN 425 H ASN 425 6.867 -8.805 14.517 160 HA ASN 425 HA ASN 425 8.692 -6.663 14.957 161 HB2 ASN 425 2HB ASN 425 9.600 -7.377 12.823 162 HB3 ASN 425 1HB ASN 425 7.988 -7.514 12.130 163 HD21 ASN 425 1HD2 ASN 425 8.317 -6.098 10.479 164 HD22 ASN 425 2HD2 ASN 425 8.552 -4.403 10.708 165 HA PRO 426 HA PRO 426 3.897 -6.537 15.507 166 HB2 PRO 426 2HB PRO 426 5.214 -4.704 17.486 167 HB3 PRO 426 1HB PRO 426 3.731 -5.646 17.655 168 HG2 PRO 426 2HG PRO 426 6.048 -6.513 18.676 169 HG3 PRO 426 1HG PRO 426 4.866 -7.634 17.978 170 HD2 PRO 426 2HD PRO 426 7.501 -6.822 16.958 171 HD3 PRO 426 1HD PRO 426 6.517 -8.232 16.529 172 H TYR 427 H TYR 427 4.377 -5.485 13.281 173 HA TYR 427 HA TYR 427 3.651 -2.667 13.579 174 HB2 TYR 427 2HB TYR 427 6.146 -3.612 12.205 175 HB3 TYR 427 1HB TYR 427 5.378 -2.095 11.748 176 HD1 TYR 427 1HD TYR 427 6.777 -3.907 14.695 177 HD2 TYR 427 2HD TYR 427 5.849 -0.143 12.942 178 HE1 TYR 427 1HE TYR 427 7.939 -2.769 16.536 179 HE2 TYR 427 2HE TYR 427 7.008 1.004 14.779 180 HH TYR 427 HH TYR 427 9.026 -0.618 16.979 181 HA PRO 428 HA PRO 428 1.136 -3.772 10.080 182 HB2 PRO 428 2HB PRO 428 -0.213 -1.484 9.843 183 HB3 PRO 428 1HB PRO 428 -0.448 -2.534 11.246 184 HG2 PRO 428 2HG PRO 428 1.151 -0.020 11.006 185 HG3 PRO 428 1HG PRO 428 0.120 -0.569 12.339 186 HD2 PRO 428 2HD PRO 428 2.881 -0.812 12.257 187 HD3 PRO 428 1HD PRO 428 1.804 -1.781 13.280 188 H ARG 429 H ARG 429 1.692 -3.820 7.989 189 HA ARG 429 HA ARG 429 3.425 -1.720 6.931 190 HB2 ARG 429 2HB ARG 429 2.677 -4.154 5.363 191 HB3 ARG 429 1HB ARG 429 4.176 -3.236 5.349 192 HG2 ARG 429 2HG ARG 429 5.056 -4.816 6.623 193 HG3 ARG 429 1HG ARG 429 4.003 -4.271 7.929 194 HD2 ARG 429 2HD ARG 429 3.756 -6.661 7.587 195 HD3 ARG 429 1HD ARG 429 2.269 -5.826 7.157 196 HE ARG 429 HE ARG 429 2.646 -6.321 4.910 197 HH11 ARG 429 1HH1 ARG 429 5.270 -7.483 6.908 198 HH12 ARG 429 2HH1 ARG 429 5.891 -8.540 5.688 199 HH21 ARG 429 1HH2 ARG 429 3.471 -7.713 3.310 200 HH22 ARG 429 2HH2 ARG 429 4.873 -8.671 3.649 201 H SER 430 H SER 430 3.063 -1.402 4.454 202 HA SER 430 HA SER 430 0.218 -1.138 3.815 203 HB2 SER 430 2HB SER 430 2.109 1.149 3.288 204 HB3 SER 430 1HB SER 430 0.346 1.156 3.278 205 HG SER 430 HG SER 430 0.584 0.629 5.611 206 H TYR 431 H TYR 431 -0.226 -1.168 1.562 207 HA TYR 431 HA TYR 431 2.102 -1.980 -0.051 208 HB2 TYR 431 2HB TYR 431 -0.794 -2.798 -0.319 209 HB3 TYR 431 1HB TYR 431 0.489 -3.271 -1.425 210 HD1 TYR 431 1HD TYR 431 2.343 -4.732 -0.603 211 HD2 TYR 431 2HD TYR 431 -1.111 -3.932 1.752 212 HE1 TYR 431 1HE TYR 431 2.869 -6.670 0.818 213 HE2 TYR 431 2HE TYR 431 -0.593 -5.872 3.182 214 HH TYR 431 HH TYR 431 0.786 -8.141 2.769 215 H TYR 432 H TYR 432 2.751 -0.296 -1.223 216 HA TYR 432 HA TYR 432 0.766 1.447 -2.502 217 HB2 TYR 432 2HB TYR 432 3.682 1.734 -1.829 218 HB3 TYR 432 1HB TYR 432 2.956 2.754 -3.065 219 HD1 TYR 432 2HD TYR 432 1.168 4.349 -2.454 220 HD2 TYR 432 1HD TYR 432 3.262 2.105 0.490 221 HE1 TYR 432 2HE TYR 432 0.370 5.896 -0.714 222 HE2 TYR 432 1HE TYR 432 2.476 3.644 2.239 223 HH TYR 432 HH TYR 432 1.215 6.620 1.636 224 H LYS 433 H LYS 433 0.279 1.072 -4.599 225 HA LYS 433 HA LYS 433 2.306 -0.326 -6.225 226 HB2 LYS 433 2HB LYS 433 0.499 -1.291 -7.531 227 HB3 LYS 433 1HB LYS 433 0.301 -1.678 -5.828 228 HG2 LYS 433 2HG LYS 433 -1.242 0.428 -5.826 229 HG3 LYS 433 1HG LYS 433 -1.315 0.123 -7.564 230 HD2 LYS 433 2HD LYS 433 -1.761 -2.142 -5.678 231 HD3 LYS 433 1HD LYS 433 -3.058 -0.971 -5.928 232 HE2 LYS 433 2HE LYS 433 -3.422 -1.631 -8.070 233 HE3 LYS 433 1HE LYS 433 -1.727 -2.028 -8.350 234 HZ1 LYS 433 3HZ LYS 433 -1.971 -4.105 -7.401 235 HZ2 LYS 433 1HZ LYS 433 -3.442 -3.919 -8.215 236 HZ3 LYS 433 2HZ LYS 433 -3.364 -3.684 -6.542 237 H CYS 434 H CYS 434 3.164 0.762 -7.837 238 HA CYS 434 HA CYS 434 2.255 3.362 -8.570 239 HB2 CYS 434 2HB CYS 434 4.572 3.124 -8.715 240 HB3 CYS 434 1HB CYS 434 4.463 1.542 -9.477 241 H THR 435 H THR 435 0.791 3.888 -10.026 242 HA THR 435 HA THR 435 -0.031 1.876 -12.008 243 HB THR 435 HB THR 435 -2.176 2.904 -12.107 244 HG1 THR 435 1HG THR 435 -1.215 4.960 -10.384 245 HG21 THR 435 3HG2 THR 435 -1.406 3.011 -9.192 246 HG22 THR 435 1HG2 THR 435 -1.687 1.512 -10.077 247 HG23 THR 435 2HG2 THR 435 -2.998 2.672 -9.870 248 H THR 436 H THR 436 -0.625 2.731 -14.177 249 HA THR 436 HA THR 436 -0.030 5.309 -15.028 250 HB THR 436 HB THR 436 2.096 4.069 -16.393 251 HG1 THR 436 1HG THR 436 2.092 2.591 -14.536 252 HG21 THR 436 3HG2 THR 436 2.289 6.020 -14.104 253 HG22 THR 436 1HG2 THR 436 1.811 6.463 -15.742 254 HG23 THR 436 2HG2 THR 436 3.421 5.815 -15.441 255 HA PRO 437 HA PRO 437 -2.327 3.715 -18.468 256 HB2 PRO 437 2HB PRO 437 -0.684 5.560 -20.128 257 HB3 PRO 437 1HB PRO 437 -2.441 5.419 -20.008 258 HG2 PRO 437 2HG PRO 437 -1.146 7.452 -18.866 259 HG3 PRO 437 1HG PRO 437 -2.546 6.697 -18.082 260 HD2 PRO 437 2HD PRO 437 0.357 6.419 -17.455 261 HD3 PRO 437 1HD PRO 437 -1.041 6.433 -16.363 262 H GLY 438 H GLY 438 -1.135 1.651 -18.265 263 HA2 GLY 438 2HA GLY 438 -0.369 0.080 -19.953 264 HA3 GLY 438 1HA GLY 438 0.746 1.318 -20.510 265 H CYS 439 H CYS 439 0.715 1.455 -17.179 266 HA CYS 439 HA CYS 439 2.797 -0.592 -16.907 267 HB2 CYS 439 2HB CYS 439 4.106 1.332 -17.247 268 HB3 CYS 439 1HB CYS 439 3.040 2.335 -16.277 269 H GLY 440 H GLY 440 3.126 -1.400 -14.856 270 HA2 GLY 440 2HA GLY 440 1.500 -0.475 -12.635 271 HA3 GLY 440 1HA GLY 440 1.074 -2.061 -13.262 272 H VAL 441 H VAL 441 3.039 -0.368 -11.122 273 HA VAL 441 HA VAL 441 4.699 -2.763 -10.675 274 HB VAL 441 HB VAL 441 5.489 0.139 -10.618 275 HG11 VAL 441 1HG1 VAL 441 7.648 -0.618 -9.570 276 HG12 VAL 441 2HG1 VAL 441 6.834 -2.127 -9.159 277 HG13 VAL 441 3HG1 VAL 441 6.254 -0.603 -8.490 278 HG21 VAL 441 3HG2 VAL 441 7.497 -0.903 -11.811 279 HG22 VAL 441 1HG2 VAL 441 5.965 -0.848 -12.684 280 HG23 VAL 441 2HG2 VAL 441 6.502 -2.353 -11.937 281 H ARG 442 H ARG 442 5.281 -3.168 -8.435 282 HA ARG 442 HA ARG 442 3.399 -1.899 -6.562 283 HB2 ARG 442 2HB ARG 442 4.163 -4.717 -7.011 284 HB3 ARG 442 1HB ARG 442 4.011 -4.228 -5.330 285 HG2 ARG 442 2HG ARG 442 1.761 -3.874 -5.486 286 HG3 ARG 442 1HG ARG 442 1.829 -3.495 -7.207 287 HD2 ARG 442 2HD ARG 442 2.003 -6.206 -5.911 288 HD3 ARG 442 1HD ARG 442 0.732 -5.599 -6.967 289 HE ARG 442 HE ARG 442 2.207 -5.796 -8.811 290 HH11 ARG 442 1HH1 ARG 442 3.557 -7.059 -5.839 291 HH12 ARG 442 2HH1 ARG 442 4.750 -8.016 -6.649 292 HH21 ARG 442 1HH2 ARG 442 3.782 -7.052 -9.864 293 HH22 ARG 442 2HH2 ARG 442 4.878 -8.013 -8.929 294 H LYS 443 H LYS 443 4.082 -1.389 -4.507 295 HA LYS 443 HA LYS 443 6.936 -1.666 -3.889 296 HB2 LYS 443 2HB LYS 443 6.820 0.534 -4.797 297 HB3 LYS 443 1HB LYS 443 5.339 0.894 -3.924 298 HG2 LYS 443 2HG LYS 443 6.513 0.985 -1.841 299 HG3 LYS 443 1HG LYS 443 7.998 0.406 -2.601 300 HD2 LYS 443 2HD LYS 443 8.529 2.575 -2.791 301 HD3 LYS 443 1HD LYS 443 7.377 2.592 -4.126 302 HE2 LYS 443 2HE LYS 443 5.614 3.330 -2.646 303 HE3 LYS 443 1HE LYS 443 6.690 3.203 -1.255 304 HZ1 LYS 443 3HZ LYS 443 6.924 5.397 -1.677 305 HZ2 LYS 443 1HZ LYS 443 6.562 5.251 -3.325 306 HZ3 LYS 443 2HZ LYS 443 8.103 4.845 -2.758 307 H HIS 444 H HIS 444 7.371 -2.012 -1.749 308 HA HIS 444 HA HIS 444 5.033 -2.166 0.033 309 HB2 HIS 444 2HB HIS 444 5.783 -4.351 -0.157 310 HB3 HIS 444 1HB HIS 444 7.467 -3.872 -0.310 311 HD1 HIS 444 1HD HIS 444 8.861 -4.159 1.716 312 HD2 HIS 444 2HD HIS 444 4.806 -4.066 2.618 313 HE1 HIS 444 1HE HIS 444 8.706 -4.688 4.167 314 HE2 HIS 444 2HE HIS 444 6.250 -4.546 4.709 315 H VAL 445 H VAL 445 5.121 -1.311 2.075 316 HA VAL 445 HA VAL 445 7.568 0.142 2.837 317 HB VAL 445 HB VAL 445 4.747 1.204 3.083 318 HG11 VAL 445 1HG1 VAL 445 6.302 1.855 4.918 319 HG12 VAL 445 2HG1 VAL 445 5.709 3.211 3.959 320 HG13 VAL 445 3HG1 VAL 445 7.344 2.601 3.705 321 HG21 VAL 445 3HG2 VAL 445 6.818 2.592 1.479 322 HG22 VAL 445 1HG2 VAL 445 5.073 2.497 1.243 323 HG23 VAL 445 2HG2 VAL 445 6.099 1.136 0.794 324 H GLU 446 H GLU 446 8.263 -0.501 4.775 325 HA GLU 446 HA GLU 446 6.304 -1.266 6.830 326 HB2 GLU 446 2HB GLU 446 7.567 -3.175 5.501 327 HB3 GLU 446 1HB GLU 446 8.877 -2.773 6.598 328 HG2 GLU 446 2HG GLU 446 7.638 -3.427 8.481 329 HG3 GLU 446 1HG GLU 446 6.122 -3.444 7.580 330 H ARG 447 H ARG 447 7.038 -0.994 9.007 331 HA ARG 447 HA ARG 447 9.203 0.962 9.250 332 HB2 ARG 447 2HB ARG 447 7.052 0.149 11.218 333 HB3 ARG 447 1HB ARG 447 8.268 1.386 11.503 334 HG2 ARG 447 2HG ARG 447 6.981 2.907 10.545 335 HG3 ARG 447 1HG ARG 447 6.949 1.970 9.050 336 HD2 ARG 447 2HD ARG 447 5.184 0.555 10.462 337 HD3 ARG 447 1HD ARG 447 4.971 2.118 11.251 338 HE ARG 447 HE ARG 447 4.880 2.192 8.366 339 HH11 ARG 447 1HH1 ARG 447 3.044 1.861 11.318 340 HH12 ARG 447 2HH1 ARG 447 1.548 2.331 10.586 341 HH21 ARG 447 1HH2 ARG 447 2.909 2.802 7.402 342 HH22 ARG 447 2HH2 ARG 447 1.470 2.863 8.363 343 H ALA 448 H ALA 448 10.662 0.720 11.180 344 HA ALA 448 HA ALA 448 11.589 -2.021 11.293 345 HB1 ALA 448 1HB ALA 448 13.130 -0.324 12.979 346 HB2 ALA 448 2HB ALA 448 12.800 0.525 11.470 347 HB3 ALA 448 3HB ALA 448 13.574 -1.058 11.439 348 H ALA 449 H ALA 449 11.339 -3.402 12.910 349 HA ALA 449 HA ALA 449 9.438 -3.267 14.830 350 HB1 ALA 449 1HB ALA 449 11.293 -5.119 14.109 351 HB2 ALA 449 2HB ALA 449 10.143 -5.300 15.434 352 HB3 ALA 449 3HB ALA 449 11.785 -4.741 15.760 353 H THR 450 H THR 450 12.837 -2.348 15.321 354 HA THR 450 HA THR 450 12.159 -1.352 17.989 355 HB THR 450 HB THR 450 14.178 -2.697 17.861 356 HG1 THR 450 1HG THR 450 14.925 0.027 18.220 357 HG21 THR 450 3HG2 THR 450 15.218 -0.587 15.963 358 HG22 THR 450 1HG2 THR 450 14.789 -2.243 15.530 359 HG23 THR 450 2HG2 THR 450 16.144 -1.937 16.617 360 H ASP 451 H ASP 451 12.789 -0.242 14.806 361 HA ASP 451 HA ASP 451 12.801 2.539 15.782 362 HB2 ASP 451 2HB ASP 451 14.949 1.656 14.675 363 HB3 ASP 451 1HB ASP 451 14.039 1.708 13.168 364 HA PRO 452 HA PRO 452 8.974 2.278 13.318 365 HB2 PRO 452 2HB PRO 452 7.778 4.408 14.490 366 HB3 PRO 452 1HB PRO 452 7.783 2.798 15.217 367 HG2 PRO 452 2HG PRO 452 9.527 5.154 15.821 368 HG3 PRO 452 1HG PRO 452 8.745 4.025 16.941 369 HD2 PRO 452 2HD PRO 452 11.363 3.838 16.261 370 HD3 PRO 452 1HD PRO 452 10.371 2.420 16.657 371 H LYS 453 H LYS 453 11.478 4.553 13.529 372 HA LYS 453 HA LYS 453 10.283 6.300 11.504 373 HB2 LYS 453 2HB LYS 453 12.925 6.792 12.841 374 HB3 LYS 453 1HB LYS 453 11.825 7.956 12.114 375 HG2 LYS 453 2HG LYS 453 10.226 7.538 13.947 376 HG3 LYS 453 1HG LYS 453 11.404 6.457 14.692 377 HD2 LYS 453 2HD LYS 453 11.802 9.395 14.128 378 HD3 LYS 453 1HD LYS 453 11.478 8.678 15.707 379 HE2 LYS 453 2HE LYS 453 13.883 8.083 13.986 380 HE3 LYS 453 1HE LYS 453 13.867 9.188 15.358 381 HZ1 LYS 453 3HZ LYS 453 12.829 6.621 16.049 382 HZ2 LYS 453 1HZ LYS 453 14.081 7.504 16.768 383 HZ3 LYS 453 2HZ LYS 453 14.403 6.508 15.440 384 H ALA 454 H ALA 454 12.339 3.637 11.717 385 HA ALA 454 HA ALA 454 13.998 4.407 9.453 386 HB1 ALA 454 1HB ALA 454 14.557 2.908 11.605 387 HB2 ALA 454 2HB ALA 454 15.405 2.766 10.067 388 HB3 ALA 454 3HB ALA 454 14.100 1.649 10.462 389 H VAL 455 H VAL 455 11.645 4.535 8.508 390 HA VAL 455 HA VAL 455 10.188 2.359 7.680 391 HB VAL 455 HB VAL 455 10.696 4.844 6.039 392 HG11 VAL 455 1HG1 VAL 455 8.355 2.941 6.034 393 HG12 VAL 455 2HG1 VAL 455 9.609 3.025 4.797 394 HG13 VAL 455 3HG1 VAL 455 8.525 4.393 5.047 395 HG21 VAL 455 3HG2 VAL 455 9.818 5.876 7.831 396 HG22 VAL 455 1HG2 VAL 455 9.197 4.374 8.517 397 HG23 VAL 455 2HG2 VAL 455 8.290 5.209 7.254 398 H VAL 456 H VAL 456 10.282 0.874 6.092 399 HA VAL 456 HA VAL 456 12.725 0.802 4.451 400 HB VAL 456 HB VAL 456 12.664 -1.562 4.439 401 HG11 VAL 456 1HG1 VAL 456 13.330 -1.913 6.560 402 HG12 VAL 456 2HG1 VAL 456 11.817 -1.321 7.246 403 HG13 VAL 456 3HG1 VAL 456 13.057 -0.180 6.726 404 HG21 VAL 456 3HG2 VAL 456 10.778 -2.781 5.680 405 HG22 VAL 456 1HG2 VAL 456 10.429 -2.142 4.074 406 HG23 VAL 456 2HG2 VAL 456 9.874 -1.278 5.506 407 H THR 457 H THR 457 12.553 0.342 2.237 408 HA THR 457 HA THR 457 9.820 0.219 1.160 409 HB THR 457 HB THR 457 11.759 1.776 -0.441 410 HG1 THR 457 1HG THR 457 10.652 2.733 2.004 411 HG21 THR 457 3HG2 THR 457 9.808 3.049 -1.006 412 HG22 THR 457 1HG2 THR 457 8.895 2.341 0.325 413 HG23 THR 457 2HG2 THR 457 9.364 1.342 -1.051 414 H THR 458 H THR 458 9.561 -1.428 -0.174 415 HA THR 458 HA THR 458 11.929 -2.533 -1.539 416 HB THR 458 HB THR 458 9.432 -4.131 -1.087 417 HG1 THR 458 1HG THR 458 11.487 -3.572 0.791 418 HG21 THR 458 3HG2 THR 458 12.347 -4.732 -1.526 419 HG22 THR 458 1HG2 THR 458 10.966 -5.206 -2.516 420 HG23 THR 458 2HG2 THR 458 11.217 -5.951 -0.936 421 H TYR 459 H TYR 459 11.933 -2.520 -3.701 422 HA TYR 459 HA TYR 459 9.423 -1.846 -5.080 423 HB2 TYR 459 2HB TYR 459 12.305 -1.316 -5.789 424 HB3 TYR 459 1HB TYR 459 10.995 -1.122 -6.948 425 HD1 TYR 459 1HD TYR 459 9.141 0.527 -6.393 426 HD2 TYR 459 2HD TYR 459 12.818 0.385 -4.258 427 HE1 TYR 459 1HE TYR 459 8.741 2.805 -5.564 428 HE2 TYR 459 2HE TYR 459 12.424 2.663 -3.418 429 HH TYR 459 HH TYR 459 11.164 4.632 -3.955 430 H GLU 460 H GLU 460 8.499 -3.377 -6.253 431 HA GLU 460 HA GLU 460 10.193 -5.489 -7.414 432 HB2 GLU 460 2HB GLU 460 8.759 -6.163 -5.397 433 HB3 GLU 460 1HB GLU 460 7.374 -5.956 -6.459 434 HG2 GLU 460 2HG GLU 460 9.259 -7.563 -7.823 435 HG3 GLU 460 1HG GLU 460 9.097 -8.196 -6.184 436 H GLY 461 H GLY 461 10.115 -5.462 -9.560 437 HA2 GLY 461 2HA GLY 461 8.527 -5.861 -11.457 438 HA3 GLY 461 1HA GLY 461 7.647 -4.467 -10.850 439 H LYS 462 H LYS 462 7.885 -3.504 -12.932 440 HA LYS 462 HA LYS 462 10.273 -1.903 -13.123 441 HB2 LYS 462 2HB LYS 462 9.848 -4.225 -14.870 442 HB3 LYS 462 1HB LYS 462 10.172 -2.732 -15.739 443 HG2 LYS 462 2HG LYS 462 11.909 -4.046 -13.663 444 HG3 LYS 462 1HG LYS 462 12.236 -3.868 -15.388 445 HD2 LYS 462 2HD LYS 462 13.278 -1.956 -14.946 446 HD3 LYS 462 1HD LYS 462 11.738 -1.277 -14.416 447 HE2 LYS 462 2HE LYS 462 13.644 -1.137 -12.762 448 HE3 LYS 462 1HE LYS 462 12.149 -1.853 -12.164 449 HZ1 LYS 462 3HZ LYS 462 13.105 -3.860 -11.919 450 HZ2 LYS 462 1HZ LYS 462 14.541 -2.964 -11.845 451 HZ3 LYS 462 2HZ LYS 462 14.080 -3.705 -13.294 452 H HIS 463 H HIS 463 10.008 -0.061 -14.410 453 HA HIS 463 HA HIS 463 7.223 0.440 -15.213 454 HB2 HIS 463 2HB HIS 463 9.335 2.522 -14.655 455 HB3 HIS 463 1HB HIS 463 7.599 2.768 -14.811 456 HD2 HIS 463 2HD HIS 463 10.167 1.400 -12.190 457 HE1 HIS 463 1HE HIS 463 6.422 1.965 -10.276 458 HE2 HIS 463 2HE HIS 463 8.843 1.337 -9.970 459 H ASN 464 H ASN 464 6.766 0.679 -17.288 460 HA ASN 464 HA ASN 464 8.987 1.054 -19.175 461 HB2 ASN 464 2HB ASN 464 7.300 0.224 -20.878 462 HB3 ASN 464 1HB ASN 464 7.805 -0.952 -19.669 463 HD21 ASN 464 1HD2 ASN 464 5.354 -0.692 -21.331 464 HD22 ASN 464 2HD2 ASN 464 4.044 -0.756 -20.206 465 H HIS 465 H HIS 465 8.506 3.360 -18.089 466 HA HIS 465 HA HIS 465 7.400 4.934 -20.225 467 HB2 HIS 465 2HB HIS 465 5.796 6.171 -18.775 468 HB3 HIS 465 1HB HIS 465 5.339 4.494 -19.048 469 HD1 HIS 465 1HD HIS 465 7.065 6.578 -16.374 470 HD2 HIS 465 2HD HIS 465 4.796 3.129 -16.780 471 HE1 HIS 465 1HE HIS 465 6.618 5.787 -14.030 472 H ASP 466 H ASP 466 7.900 7.177 -20.055 473 HA ASP 466 HA ASP 466 10.411 7.738 -18.977 474 HB2 ASP 466 2HB ASP 466 8.782 8.994 -20.742 475 HB3 ASP 466 1HB ASP 466 8.592 10.043 -19.340 476 H LEU 467 H LEU 467 10.986 9.314 -17.321 477 HA LEU 467 HA LEU 467 9.491 8.848 -14.904 478 HB2 LEU 467 2HB LEU 467 12.140 9.915 -15.618 479 HB3 LEU 467 1HB LEU 467 11.417 10.625 -14.187 480 HG LEU 467 HG LEU 467 12.935 8.699 -13.729 481 HD11 LEU 467 1HD1 LEU 467 11.021 7.429 -12.399 482 HD12 LEU 467 2HD1 LEU 467 10.109 8.869 -12.855 483 HD13 LEU 467 3HD1 LEU 467 11.598 9.026 -11.923 484 HD21 LEU 467 3HD2 LEU 467 12.005 7.470 -15.827 485 HD22 LEU 467 1HD2 LEU 467 10.771 6.888 -14.709 486 HD23 LEU 467 2HD2 LEU 467 12.475 6.542 -14.402 487 HA PRO 468 HA PRO 468 7.288 12.728 -15.523 488 HB2 PRO 468 2HB PRO 468 5.261 12.235 -13.852 489 HB3 PRO 468 1HB PRO 468 5.388 11.405 -15.408 490 HG2 PRO 468 2HG PRO 468 6.064 10.418 -12.671 491 HG3 PRO 468 1HG PRO 468 5.286 9.560 -14.011 492 HD2 PRO 468 2HD PRO 468 7.968 9.362 -13.339 493 HD3 PRO 468 1HD PRO 468 7.286 8.960 -14.926 494 H ALA 469 H ALA 469 6.012 14.076 -13.611 495 HA ALA 469 HA ALA 469 8.160 14.780 -11.752 496 HB1 ALA 469 1HB ALA 469 7.398 16.632 -13.034 497 HB2 ALA 469 2HB ALA 469 6.785 16.854 -11.395 498 HB3 ALA 469 3HB ALA 469 5.712 16.273 -12.668 499 H5' DC 3 H5' DC 3 -5.733 16.487 -8.860 500 H5'' DC 3 H5" DC 3 -6.002 14.889 -9.584 501 H4' DC 3 H4' DC 3 -4.380 15.108 -7.609 502 H3' DC 3 H3' DC 3 -5.643 12.915 -8.510 503 H2' DC 3 H2' DC 3 -7.635 13.051 -7.190 504 H2'' DC 3 H2" DC 3 -6.628 12.072 -6.134 505 H1' DC 3 H1' DC 3 -6.005 13.927 -4.770 506 H41 DC 3 1H4 DC 3 -11.554 16.033 -2.584 507 H42 DC 3 2H4 DC 3 -12.287 15.950 -4.171 508 H5 DC 3 5H DC 3 -11.067 15.274 -6.150 509 H6 DC 3 6H DC 3 -8.902 14.547 -7.007 510 H5' DC 4 H5' DC 4 -2.196 11.599 -5.017 511 H5'' DC 4 H5" DC 4 -2.191 9.823 -5.052 512 H4' DC 4 H4' DC 4 -2.228 11.196 -2.797 513 H3' DC 4 H3' DC 4 -2.557 8.559 -3.276 514 H2' DC 4 H2' DC 4 -4.925 8.538 -3.621 515 H2'' DC 4 H2" DC 4 -4.861 8.267 -1.885 516 H1' DC 4 H1' DC 4 -5.259 10.569 -1.367 517 H41 DC 4 1H4 DC 4 -11.014 11.378 -3.853 518 H42 DC 4 2H4 DC 4 -10.470 10.925 -5.452 519 H5 DC 4 5H DC 4 -8.180 10.295 -5.934 520 H6 DC 4 6H DC 4 -5.956 9.982 -4.981 521 H5' DT 5 H5' DT 5 -4.228 10.313 0.324 522 H5'' DT 5 H5" DT 5 -2.935 10.042 1.510 523 H4' DT 5 H4' DT 5 -4.700 10.632 2.849 524 H3' DT 5 H3' DT 5 -3.863 8.134 3.291 525 H2' DT 5 H2' DT 5 -5.376 6.940 1.880 526 H2'' DT 5 H2" DT 5 -6.293 6.933 3.380 527 H1' DT 5 H1' DT 5 -7.699 8.716 2.705 528 H3 DT 5 3H DT 5 -10.335 7.605 -0.732 529 H71 DT 5 1H7 DT 5 -6.775 5.412 -2.795 530 H72 DT 5 2H7 DT 5 -6.173 7.026 -3.244 531 H73 DT 5 3H7 DT 5 -5.335 6.080 -1.991 532 H6 DT 5 6H DT 5 -5.624 7.359 -0.039 533 H5' DT 6 H5' DT 6 -7.035 8.104 6.288 534 H5'' DT 6 H5" DT 6 -6.459 7.849 7.949 535 H4' DT 6 H4' DT 6 -7.556 5.935 7.941 536 H3' DT 6 H3' DT 6 -5.355 5.184 6.049 537 H2' DT 6 H2' DT 6 -6.547 3.265 5.350 538 H2'' DT 6 H2" DT 6 -7.449 3.160 6.853 539 H1' DT 6 H1' DT 6 -9.194 4.294 5.898 540 H3 DT 6 3H DT 6 -10.427 4.608 1.598 541 H71 DT 6 1H7 DT 6 -6.073 3.678 0.276 542 H72 DT 6 2H7 DT 6 -5.599 5.317 0.783 543 H73 DT 6 3H7 DT 6 -5.106 3.907 1.751 544 H6 DT 6 6H DT 6 -6.200 4.454 3.801 545 H5' DT 7 H5' DT 7 -6.841 2.524 10.057 546 H5'' DT 7 H5" DT 7 -6.364 0.831 9.813 547 H4' DT 7 H4' DT 7 -8.926 1.789 9.972 548 H3' DT 7 H3' DT 7 -7.913 -0.698 9.932 549 H2' DT 7 H2' DT 7 -7.542 -0.914 7.576 550 H2'' DT 7 H2" DT 7 -9.171 -1.564 7.700 551 H1' DT 7 H1' DT 7 -10.196 0.482 7.019 552 H3 DT 7 3H DT 7 -9.399 0.689 2.638 553 H71 DT 7 1H7 DT 7 -4.906 1.214 3.123 554 H72 DT 7 2H7 DT 7 -4.615 0.394 4.677 555 H73 DT 7 3H7 DT 7 -4.841 2.160 4.629 556 H6 DT 7 6H DT 7 -6.550 0.858 6.450 557 H5' DG 8 H5' DG 8 -12.633 -0.742 9.391 558 H5'' DG 8 H5" DG 8 -13.239 -1.839 10.650 559 H4' DG 8 H4' DG 8 -14.608 -2.003 8.678 560 H3' DG 8 H3' DG 8 -13.767 -4.207 9.961 561 H2' DG 8 H2' DG 8 -11.816 -4.671 8.641 562 H2'' DG 8 H2" DG 8 -13.018 -5.636 7.796 563 H1' DG 8 H1' DG 8 -13.378 -3.967 6.115 564 H8 DG 8 8H DG 8 -10.025 -3.797 7.997 565 H1 DG 8 1H DG 8 -9.670 -3.156 1.625 566 H21 DG 8 1H2 DG 8 -11.678 -3.073 0.752 567 H22 DG 8 2H2 DG 8 -13.126 -3.175 1.727 568 H5' DA 9 H5' DA 9 -16.929 -4.988 6.019 569 H5'' DA 9 H5" DA 9 -17.735 -6.392 6.750 570 H4' DA 9 H4' DA 9 -17.614 -6.384 4.250 571 H3' DA 9 H3' DA 9 -17.614 -8.563 5.811 572 H2' DA 9 H2' DA 9 -15.242 -8.807 6.090 573 H2'' DA 9 H2" DA 9 -15.514 -9.841 4.695 574 H1' DA 9 H1' DA 9 -14.834 -8.153 3.139 575 H8 DA 9 8H DA 9 -13.557 -7.718 6.747 576 H61 DA 9 2H6 DA 9 -8.877 -6.941 5.675 577 H62 DA 9 1H6 DA 9 -8.007 -6.772 4.168 578 H2 DA 9 2H DA 9 -11.024 -7.171 0.874 579 H5' DC 10 H5' DC 10 -17.038 -8.981 1.151 580 H5'' DC 10 H5" DC 10 -18.380 -10.080 0.763 581 H4' DC 10 H4' DC 10 -16.866 -10.241 -1.021 582 H3' DC 10 H3' DC 10 -17.545 -12.527 0.202 583 H2' DC 10 H2' DC 10 -15.714 -12.756 1.715 584 H2'' DC 10 H2" DC 10 -15.049 -13.600 0.325 585 H1' DC 10 H1' DC 10 -13.726 -11.767 -0.355 586 H41 DC 10 1H4 DC 10 -10.220 -10.360 4.729 587 H42 DC 10 2H4 DC 10 -11.610 -10.445 5.785 588 H5 DC 10 5H DC 10 -13.848 -10.898 4.990 589 H6 DC 10 6H DC 10 -15.210 -11.360 3.020 590 H5' DC 11 H5' DC 11 -14.783 -13.887 -3.669 591 H5'' DC 11 H5" DC 11 -15.646 -15.337 -4.226 592 H4' DC 11 H4' DC 11 -13.231 -15.658 -4.189 593 H3' DC 11 H3' DC 11 -15.036 -17.509 -3.236 594 H2' DC 11 H2' DC 11 -14.625 -17.231 -0.908 595 H2'' DC 11 H2" DC 11 -13.335 -18.367 -1.280 596 H1' DC 11 H1' DC 11 -11.696 -16.630 -1.546 597 H41 DC 11 1H4 DC 11 -11.451 -14.131 4.276 598 H42 DC 11 2H4 DC 11 -13.186 -14.243 4.452 599 H5 DC 11 5H DC 11 -14.650 -15.036 2.699 600 H6 DC 11 6H DC 11 -14.749 -15.875 0.413 601 H5' DA 12 H5' DA 12 -10.819 -18.435 -3.209 602 H5'' DA 12 H5" DA 12 -10.395 -19.579 -4.500 603 H4' DA 12 H4' DA 12 -8.680 -20.016 -3.118 604 H3' DA 12 H3' DA 12 -10.466 -22.053 -2.962 605 H2' DA 12 H2' DA 12 -11.561 -21.391 -0.940 606 H2'' DA 12 H2" DA 12 -10.288 -22.415 -0.291 607 H1' DA 12 H1' DA 12 -8.845 -20.541 0.178 608 H8 DA 12 8H DA 12 -12.627 -19.796 0.009 609 H61 DA 12 2H6 DA 12 -12.986 -17.446 4.258 610 H62 DA 12 1H6 DA 12 -11.808 -16.943 5.448 611 H2 DA 12 2H DA 12 -7.792 -18.234 3.932 612 H5' DT 21 H5' DT 21 -3.625 -16.371 11.467 613 H5'' DT 21 H5" DT 21 -5.307 -16.365 10.908 614 H4' DT 21 H4' DT 21 -3.074 -17.790 9.475 615 H3' DT 21 H3' DT 21 -3.007 -15.104 9.589 616 H2' DT 21 H2' DT 21 -5.191 -14.615 8.763 617 H2'' DT 21 H2" DT 21 -4.301 -14.647 7.247 618 H1' DT 21 H1' DT 21 -4.991 -16.859 6.718 619 H3 DT 21 3H DT 21 -9.373 -16.768 5.754 620 H71 DT 21 1H7 DT 21 -10.558 -15.004 9.747 621 H72 DT 21 2H7 DT 21 -9.253 -13.796 9.813 622 H73 DT 21 3H7 DT 21 -9.148 -15.277 10.795 623 H6 DT 21 6H DT 21 -6.863 -15.363 9.532 624 H5' DG 22 H5' DG 22 -1.605 -16.098 5.375 625 H5'' DG 22 H5" DG 22 -0.046 -15.351 4.962 626 H4' DG 22 H4' DG 22 -1.236 -14.579 3.217 627 H3' DG 22 H3' DG 22 -1.700 -12.573 5.390 628 H2' DG 22 H2' DG 22 -3.416 -11.526 4.155 629 H2'' DG 22 H2" DG 22 -2.742 -12.030 2.612 630 H1' DG 22 H1' DG 22 -4.142 -13.835 2.553 631 H8 DG 22 8H DG 22 -4.386 -12.670 6.244 632 H1 DG 22 1H DG 22 -9.903 -14.290 3.401 633 H21 DG 22 1H2 DG 22 -9.544 -14.990 1.392 634 H22 DG 22 2H2 DG 22 -7.966 -15.092 0.664 635 H5' DG 23 H5' DG 23 -0.608 -12.113 0.667 636 H5'' DG 23 H5" DG 23 -0.061 -10.438 0.446 637 H4' DG 23 H4' DG 23 -1.730 -11.512 -1.230 638 H3' DG 23 H3' DG 23 -1.110 -8.927 -0.855 639 H2' DG 23 H2' DG 23 -2.703 -8.376 0.839 640 H2'' DG 23 H2" DG 23 -3.644 -7.997 -0.597 641 H1' DG 23 H1' DG 23 -4.842 -10.048 -0.539 642 H8 DG 23 8H DG 23 -3.040 -9.476 2.847 643 H1 DG 23 1H DG 23 -9.375 -10.429 3.145 644 H21 DG 23 1H2 DG 23 -10.179 -10.802 1.182 645 H22 DG 23 2H2 DG 23 -9.231 -10.837 -0.275 646 H5' DT 24 H5' DT 24 -4.349 -9.214 -4.041 647 H5'' DT 24 H5" DT 24 -3.964 -8.393 -5.568 648 H4' DT 24 H4' DT 24 -6.117 -7.714 -5.177 649 H3' DT 24 H3' DT 24 -4.175 -5.672 -4.712 650 H2' DT 24 H2' DT 24 -4.882 -5.015 -2.579 651 H2'' DT 24 H2" DT 24 -6.322 -4.417 -3.390 652 H1' DT 24 H1' DT 24 -7.584 -6.363 -2.965 653 H3 DT 24 3H DT 24 -8.565 -6.817 1.364 654 H71 DT 24 1H7 DT 24 -3.276 -5.798 1.000 655 H72 DT 24 2H7 DT 24 -3.803 -7.027 2.173 656 H73 DT 24 3H7 DT 24 -4.210 -5.315 2.435 657 H6 DT 24 6H DT 24 -4.470 -6.107 -0.974 658 H5' DC 25 H5' DC 25 -8.535 -5.208 -6.328 659 H5'' DC 25 H5" DC 25 -8.391 -3.988 -7.611 660 H4' DC 25 H4' DC 25 -10.670 -4.136 -6.853 661 H3' DC 25 H3' DC 25 -9.506 -1.757 -7.228 662 H2' DC 25 H2' DC 25 -8.725 -1.340 -5.004 663 H2'' DC 25 H2" DC 25 -10.308 -0.579 -4.924 664 H1' DC 25 H1' DC 25 -11.308 -2.426 -3.818 665 H41 DC 25 1H4 DC 25 -7.809 -3.134 1.404 666 H42 DC 25 2H4 DC 25 -6.315 -3.048 0.498 667 H5 DC 25 5H DC 25 -6.251 -2.795 -1.909 668 H6 DC 25 6H DC 25 -7.601 -2.598 -3.932 669 H5' DA 26 H5' DA 26 -13.497 -1.960 -5.232 670 H5'' DA 26 H5" DA 26 -14.635 -1.348 -6.451 671 H4' DA 26 H4' DA 26 -15.801 -1.243 -4.434 672 H3' DA 26 H3' DA 26 -15.607 1.055 -5.754 673 H2' DA 26 H2' DA 26 -13.597 1.903 -4.759 674 H2'' DA 26 H2" DA 26 -14.807 2.654 -3.731 675 H1' DA 26 H1' DA 26 -14.529 1.058 -1.989 676 H8 DA 26 8H DA 26 -11.641 1.268 -4.516 677 H61 DA 26 2H6 DA 26 -7.984 1.382 -1.314 678 H62 DA 26 1H6 DA 26 -7.914 1.232 0.428 679 H2 DA 26 2H DA 26 -12.119 0.614 1.852 680 H5' DA 27 H5' DA 27 -18.483 1.520 -1.461 681 H5'' DA 27 H5" DA 27 -19.667 2.464 -2.391 682 H4' DA 27 H4' DA 27 -19.596 3.066 -0.007 683 H3' DA 27 H3' DA 27 -19.979 4.839 -1.960 684 H2' DA 27 H2' DA 27 -17.709 5.468 -2.383 685 H2'' DA 27 H2" DA 27 -18.152 6.682 -1.191 686 H1' DA 27 H1' DA 27 -17.086 5.537 0.591 687 H8 DA 27 8H DA 27 -15.923 4.811 -2.970 688 H61 DA 27 2H6 DA 27 -11.151 4.542 -2.081 689 H62 DA 27 1H6 DA 27 -10.205 4.539 -0.610 690 H2 DA 27 2H DA 27 -13.103 4.858 2.798 691 H5' DA 28 H5' DA 28 -19.254 6.888 2.590 692 H5'' DA 28 H5" DA 28 -20.528 8.120 2.468 693 H4' DA 28 H4' DA 28 -18.681 8.928 3.793 694 H3' DA 28 H3' DA 28 -19.836 10.449 1.879 695 H2' DA 28 H2' DA 28 -18.261 10.104 0.118 696 H2'' DA 28 H2" DA 28 -17.526 11.493 0.902 697 H1' DA 28 H1' DA 28 -15.968 10.171 2.125 698 H8 DA 28 8H DA 28 -17.458 8.543 -1.030 699 H61 DA 28 2H6 DA 28 -13.283 7.022 -3.001 700 H62 DA 28 1H6 DA 28 -11.621 7.046 -2.455 701 H2 DA 28 2H DA 28 -11.622 8.944 1.610 702 H5' DG 29 H5' DG 29 -17.378 13.304 5.291 703 H5'' DG 29 H5" DG 29 -16.968 14.897 4.622 704 H4' DG 29 H4' DG 29 -15.247 13.084 5.805 705 H3' DG 29 H3' DG 29 -15.044 15.704 5.108 706 H2' DG 29 H2' DG 29 -14.425 15.419 2.818 707 H2'' DG 29 H2" DG 29 -12.834 15.396 3.566 708 H1' DG 29 H1' DG 29 -12.741 12.998 3.610 709 H8 DG 29 8H DG 29 -15.722 13.514 1.214 710 H1 DG 29 1H DG 29 -10.222 11.673 -1.524 711 H21 DG 29 1H2 DG 29 -8.613 11.607 -0.036 712 H22 DG 29 2H2 DG 29 -8.876 12.010 1.645 713 H5' DG 30 H5' DG 30 -10.660 14.083 6.799 714 H5'' DG 30 H5" DG 30 -10.619 15.209 8.172 715 H4' DG 30 H4' DG 30 -8.388 14.830 7.382 716 H3' DG 30 H3' DG 30 -9.211 17.307 7.902 717 H2' DG 30 H2' DG 30 -10.031 17.915 5.740 718 H2'' DG 30 H2" DG 30 -8.382 18.509 5.626 719 H1' DG 30 H1' DG 30 -7.634 16.637 4.374 720 H8 DG 30 8H DG 30 -11.424 17.235 4.409 721 H1 DG 30 1H DG 30 -8.949 15.568 -1.269 722 H21 DG 30 1H2 DG 30 -6.832 15.040 -1.055 723 H22 DG 30 2H2 DG 30 -6.007 15.092 0.486 Start of MODEL 6 1 H LEU 407 H LEU 407 5.064 7.694 0.935 2 HA LEU 407 HA LEU 407 6.732 8.353 3.239 3 HB2 LEU 407 2HB LEU 407 8.036 6.253 2.175 4 HB3 LEU 407 1HB LEU 407 6.970 6.132 3.561 5 HG LEU 407 HG LEU 407 5.597 5.811 0.986 6 HD11 LEU 407 2HD1 LEU 407 7.518 4.700 0.226 7 HD12 LEU 407 3HD1 LEU 407 6.452 3.423 0.812 8 HD13 LEU 407 1HD1 LEU 407 7.814 3.957 1.798 9 HD21 LEU 407 1HD2 LEU 407 4.958 3.658 2.373 10 HD22 LEU 407 2HD2 LEU 407 4.265 5.234 2.748 11 HD23 LEU 407 3HD2 LEU 407 5.610 4.611 3.705 12 H LEU 408 H LEU 408 6.396 10.168 1.407 13 HA LEU 408 HA LEU 408 7.491 11.503 -0.061 14 HB2 LEU 408 2HB LEU 408 9.594 9.688 0.896 15 HB3 LEU 408 1HB LEU 408 9.928 10.444 -0.649 16 HG LEU 408 HG LEU 408 8.967 12.293 1.427 17 HD11 LEU 408 1HD1 LEU 408 11.700 11.046 1.685 18 HD12 LEU 408 2HD1 LEU 408 10.344 10.755 2.775 19 HD13 LEU 408 3HD1 LEU 408 11.045 12.369 2.650 20 HD21 LEU 408 3HD2 LEU 408 9.815 12.890 -0.859 21 HD22 LEU 408 1HD2 LEU 408 11.418 12.391 -0.319 22 HD23 LEU 408 2HD2 LEU 408 10.599 13.736 0.476 23 H ASP 409 H ASP 409 9.101 8.567 -1.181 24 HA ASP 409 HA ASP 409 8.972 7.414 -3.168 25 HB2 ASP 409 2HB ASP 409 6.226 8.434 -2.816 26 HB3 ASP 409 1HB ASP 409 6.676 8.049 -4.472 27 H ASP 410 H ASP 410 10.617 9.313 -3.326 28 HA ASP 410 HA ASP 410 11.494 11.126 -4.444 29 HB2 ASP 410 2HB ASP 410 12.105 9.233 -5.851 30 HB3 ASP 410 1HB ASP 410 10.549 9.296 -6.671 31 H GLY 411 H GLY 411 9.422 10.756 -7.203 32 HA2 GLY 411 2HA GLY 411 7.562 12.767 -6.231 33 HA3 GLY 411 1HA GLY 411 8.523 13.137 -7.668 34 H TYR 412 H TYR 412 7.657 9.889 -6.878 35 HA TYR 412 HA TYR 412 6.143 9.722 -9.380 36 HB2 TYR 412 2HB TYR 412 7.669 7.881 -7.719 37 HB3 TYR 412 1HB TYR 412 6.131 7.190 -8.227 38 HD1 TYR 412 1HD TYR 412 7.805 9.628 -10.384 39 HD2 TYR 412 2HD TYR 412 7.317 5.490 -9.532 40 HE1 TYR 412 1HE TYR 412 8.817 9.068 -12.551 41 HE2 TYR 412 2HE TYR 412 8.328 4.920 -11.696 42 HH TYR 412 HH TYR 412 10.146 6.795 -13.431 43 H ARG 413 H ARG 413 4.048 8.808 -9.527 44 HA ARG 413 HA ARG 413 2.358 9.597 -7.308 45 HB2 ARG 413 2HB ARG 413 1.873 10.196 -9.701 46 HB3 ARG 413 1HB ARG 413 1.547 8.496 -10.001 47 HG2 ARG 413 2HG ARG 413 -0.189 8.681 -8.139 48 HG3 ARG 413 1HG ARG 413 0.000 10.428 -8.314 49 HD2 ARG 413 2HD ARG 413 -0.286 9.576 -10.913 50 HD3 ARG 413 1HD ARG 413 -1.371 8.507 -10.030 51 HE ARG 413 HE ARG 413 -2.729 10.299 -9.551 52 HH11 ARG 413 1HH1 ARG 413 0.268 11.441 -10.935 53 HH12 ARG 413 2HH1 ARG 413 -0.318 13.049 -11.193 54 HH21 ARG 413 1HH2 ARG 413 -3.499 12.417 -9.899 55 HH22 ARG 413 2HH2 ARG 413 -2.454 13.604 -10.604 56 H TRP 414 H TRP 414 1.919 8.205 -5.742 57 HA TRP 414 HA TRP 414 1.477 5.383 -6.460 58 HB2 TRP 414 2HB TRP 414 2.622 6.371 -3.846 59 HB3 TRP 414 1HB TRP 414 2.445 4.698 -4.360 60 HD1 TRP 414 HD TRP 414 4.530 7.841 -5.149 61 HE1 TRP 414 1HE TRP 414 6.765 7.085 -6.190 62 HE3 TRP 414 3HE TRP 414 3.547 2.850 -5.564 63 HZ2 TRP 414 2HZ TRP 414 7.935 4.651 -7.091 64 HZ3 TRP 414 3HZ TRP 414 5.261 1.378 -6.532 65 HH2 TRP 414 HH TRP 414 7.409 2.261 -7.274 66 H ARG 415 H ARG 415 -0.216 4.328 -5.492 67 HA ARG 415 HA ARG 415 -2.007 6.000 -3.852 68 HB2 ARG 415 2HB ARG 415 -3.076 5.605 -5.964 69 HB3 ARG 415 1HB ARG 415 -2.673 3.893 -5.914 70 HG2 ARG 415 2HG ARG 415 -4.187 3.561 -4.054 71 HG3 ARG 415 1HG ARG 415 -4.547 5.286 -4.015 72 HD2 ARG 415 2HD ARG 415 -6.277 4.762 -5.324 73 HD3 ARG 415 1HD ARG 415 -5.081 4.650 -6.615 74 HE ARG 415 HE ARG 415 -5.026 2.173 -5.598 75 HH11 ARG 415 1HH1 ARG 415 -7.694 4.216 -6.550 76 HH12 ARG 415 2HH1 ARG 415 -8.719 2.887 -6.974 77 HH21 ARG 415 1HH2 ARG 415 -6.376 0.429 -6.158 78 HH22 ARG 415 2HH2 ARG 415 -7.972 0.738 -6.751 79 H LYS 416 H LYS 416 -1.375 5.327 -1.830 80 HA LYS 416 HA LYS 416 -0.646 2.778 -1.046 81 HB2 LYS 416 2HB LYS 416 -0.956 3.482 1.186 82 HB3 LYS 416 1HB LYS 416 -0.533 4.935 0.298 83 HG2 LYS 416 2HG LYS 416 -2.811 5.671 0.296 84 HG3 LYS 416 1HG LYS 416 -3.346 4.148 1.010 85 HD2 LYS 416 2HD LYS 416 -3.215 5.918 2.694 86 HD3 LYS 416 1HD LYS 416 -2.056 4.632 3.027 87 HE2 LYS 416 2HE LYS 416 -0.392 6.112 1.708 88 HE3 LYS 416 1HE LYS 416 -1.556 7.401 1.997 89 HZ1 LYS 416 3HZ LYS 416 0.233 6.066 3.850 90 HZ2 LYS 416 1HZ LYS 416 -1.316 6.397 4.445 91 HZ3 LYS 416 2HZ LYS 416 -0.346 7.654 3.858 92 H TYR 417 H TYR 417 -1.827 1.096 0.084 93 HA TYR 417 HA TYR 417 -4.681 1.127 0.102 94 HB2 TYR 417 2HB TYR 417 -5.224 -0.240 -1.692 95 HB3 TYR 417 1HB TYR 417 -3.946 0.763 -2.367 96 HD1 TYR 417 1HD TYR 417 -4.744 -2.593 -1.049 97 HD2 TYR 417 2HD TYR 417 -1.877 -0.200 -3.085 98 HE1 TYR 417 1HE TYR 417 -3.491 -4.620 -1.657 99 HE2 TYR 417 2HE TYR 417 -0.615 -2.223 -3.694 100 HH TYR 417 HH TYR 417 -1.746 -5.150 -3.742 101 H GLY 418 H GLY 418 -5.459 -0.233 1.512 102 HA2 GLY 418 2HA GLY 418 -5.688 -2.301 2.610 103 HA3 GLY 418 1HA GLY 418 -4.060 -2.723 2.115 104 H GLN 419 H GLN 419 -4.647 -3.375 4.546 105 HA GLN 419 HA GLN 419 -2.779 -2.030 6.163 106 HB2 GLN 419 2HB GLN 419 -4.539 -0.331 6.342 107 HB3 GLN 419 1HB GLN 419 -5.685 -1.557 6.868 108 HG2 GLN 419 2HG GLN 419 -5.107 -0.701 8.884 109 HG3 GLN 419 1HG GLN 419 -3.871 -1.949 8.741 110 HE21 GLN 419 1HE2 GLN 419 -4.519 1.398 8.953 111 HE22 GLN 419 2HE2 GLN 419 -2.884 1.952 8.900 112 H LYS 420 H LYS 420 -1.987 -3.605 7.422 113 HA LYS 420 HA LYS 420 -3.614 -5.376 8.928 114 HB2 LYS 420 2HB LYS 420 -4.062 -6.645 7.033 115 HB3 LYS 420 1HB LYS 420 -2.513 -6.282 6.295 116 HG2 LYS 420 2HG LYS 420 -1.653 -8.174 7.041 117 HG3 LYS 420 1HG LYS 420 -2.103 -7.789 8.701 118 HD2 LYS 420 2HD LYS 420 -3.211 -9.803 8.244 119 HD3 LYS 420 1HD LYS 420 -4.452 -8.563 8.057 120 HE2 LYS 420 2HE LYS 420 -4.446 -10.300 6.263 121 HE3 LYS 420 1HE LYS 420 -4.278 -8.645 5.678 122 HZ1 LYS 420 3HZ LYS 420 -2.010 -8.959 5.254 123 HZ2 LYS 420 1HZ LYS 420 -2.751 -10.365 4.673 124 HZ3 LYS 420 2HZ LYS 420 -1.936 -10.389 6.155 125 H VAL 421 H VAL 421 -2.405 -6.356 10.542 126 HA VAL 421 HA VAL 421 0.429 -5.623 10.574 127 HB VAL 421 HB VAL 421 0.410 -5.641 12.885 128 HG11 VAL 421 1HG1 VAL 421 -1.747 -4.544 13.613 129 HG12 VAL 421 2HG1 VAL 421 -2.329 -4.808 11.970 130 HG13 VAL 421 3HG1 VAL 421 -0.913 -3.796 12.252 131 HG21 VAL 421 3HG2 VAL 421 -1.806 -7.621 12.629 132 HG22 VAL 421 1HG2 VAL 421 -1.647 -6.692 14.120 133 HG23 VAL 421 2HG2 VAL 421 -0.316 -7.711 13.569 134 H VAL 422 H VAL 422 2.038 -7.098 11.174 135 HA VAL 422 HA VAL 422 1.285 -9.927 10.846 136 HB VAL 422 HB VAL 422 3.801 -10.067 10.042 137 HG11 VAL 422 1HG1 VAL 422 2.918 -9.645 7.668 138 HG12 VAL 422 2HG1 VAL 422 1.372 -9.323 8.453 139 HG13 VAL 422 3HG1 VAL 422 2.143 -10.900 8.635 140 HG21 VAL 422 3HG2 VAL 422 3.014 -7.264 9.247 141 HG22 VAL 422 1HG2 VAL 422 4.432 -8.139 8.668 142 HG23 VAL 422 2HG2 VAL 422 4.299 -7.704 10.373 143 H LYS 423 H LYS 423 2.360 -11.450 12.115 144 HA LYS 423 HA LYS 423 3.273 -10.510 14.649 145 HB2 LYS 423 2HB LYS 423 2.925 -13.219 13.390 146 HB3 LYS 423 1HB LYS 423 3.720 -13.045 14.948 147 HG2 LYS 423 2HG LYS 423 1.468 -13.558 15.404 148 HG3 LYS 423 1HG LYS 423 1.659 -11.837 15.743 149 HD2 LYS 423 2HD LYS 423 -0.392 -12.124 14.552 150 HD3 LYS 423 1HD LYS 423 0.763 -11.372 13.453 151 HE2 LYS 423 2HE LYS 423 1.212 -13.983 12.928 152 HE3 LYS 423 1HE LYS 423 -0.495 -14.037 13.361 153 HZ1 LYS 423 3HZ LYS 423 0.687 -13.146 10.962 154 HZ2 LYS 423 1HZ LYS 423 -0.164 -11.864 11.667 155 HZ3 LYS 423 2HZ LYS 423 -0.954 -13.321 11.333 156 H GLY 424 H GLY 424 5.321 -11.686 15.581 157 HA2 GLY 424 2HA GLY 424 7.616 -11.944 15.526 158 HA3 GLY 424 1HA GLY 424 7.487 -12.176 13.787 159 H ASN 425 H ASN 425 5.929 -9.460 14.021 160 HA ASN 425 HA ASN 425 7.966 -7.525 14.553 161 HB2 ASN 425 2HB ASN 425 8.485 -8.461 12.222 162 HB3 ASN 425 1HB ASN 425 6.961 -7.749 11.705 163 HD21 ASN 425 1HD2 ASN 425 6.723 -5.443 11.930 164 HD22 ASN 425 2HD2 ASN 425 8.114 -4.427 11.810 165 HA PRO 426 HA PRO 426 3.179 -7.065 15.325 166 HB2 PRO 426 2HB PRO 426 4.789 -5.419 17.250 167 HB3 PRO 426 1HB PRO 426 3.236 -6.219 17.495 168 HG2 PRO 426 2HG PRO 426 5.594 -7.316 18.274 169 HG3 PRO 426 1HG PRO 426 4.192 -8.284 17.789 170 HD2 PRO 426 2HD PRO 426 6.747 -7.999 16.450 171 HD3 PRO 426 1HD PRO 426 5.397 -9.076 16.043 172 H TYR 427 H TYR 427 3.554 -5.971 13.105 173 HA TYR 427 HA TYR 427 2.979 -3.145 13.527 174 HB2 TYR 427 2HB TYR 427 5.408 -4.080 12.023 175 HB3 TYR 427 1HB TYR 427 4.663 -2.523 11.682 176 HD1 TYR 427 2HD TYR 427 6.218 -4.528 14.409 177 HD2 TYR 427 1HD TYR 427 5.135 -0.652 13.022 178 HE1 TYR 427 2HE TYR 427 7.486 -3.517 16.254 179 HE2 TYR 427 1HE TYR 427 6.399 0.367 14.866 180 HH TYR 427 HH TYR 427 8.547 -1.431 16.837 181 HA PRO 428 HA PRO 428 0.347 -3.854 10.049 182 HB2 PRO 428 2HB PRO 428 -0.426 -1.350 9.533 183 HB3 PRO 428 1HB PRO 428 -0.889 -2.160 11.036 184 HG2 PRO 428 2HG PRO 428 1.273 -0.149 10.555 185 HG3 PRO 428 1HG PRO 428 0.133 -0.265 11.907 186 HD2 PRO 428 2HD PRO 428 2.736 -1.169 11.982 187 HD3 PRO 428 1HD PRO 428 1.434 -1.779 13.021 188 H ARG 429 H ARG 429 0.802 -4.261 7.981 189 HA ARG 429 HA ARG 429 3.029 -2.917 6.698 190 HB2 ARG 429 2HB ARG 429 1.322 -5.004 5.383 191 HB3 ARG 429 1HB ARG 429 3.023 -4.647 5.125 192 HG2 ARG 429 2HG ARG 429 3.669 -5.743 7.091 193 HG3 ARG 429 1HG ARG 429 2.023 -5.755 7.726 194 HD2 ARG 429 2HD ARG 429 2.199 -7.919 7.005 195 HD3 ARG 429 1HD ARG 429 1.540 -7.156 5.558 196 HE ARG 429 HE ARG 429 4.339 -7.079 5.426 197 HH11 ARG 429 1HH1 ARG 429 1.724 -9.384 5.293 198 HH12 ARG 429 2HH1 ARG 429 2.591 -10.501 4.293 199 HH21 ARG 429 1HH2 ARG 429 5.483 -8.545 4.112 200 HH22 ARG 429 2HH2 ARG 429 4.727 -10.025 3.623 201 H SER 430 H SER 430 2.872 -2.031 4.552 202 HA SER 430 HA SER 430 0.188 -1.038 3.866 203 HB2 SER 430 2HB SER 430 2.330 0.783 3.092 204 HB3 SER 430 1HB SER 430 0.840 1.113 3.972 205 HG SER 430 HG SER 430 1.847 0.782 5.847 206 H TYR 431 H TYR 431 -0.341 -1.047 1.715 207 HA TYR 431 HA TYR 431 1.723 -2.096 -0.113 208 HB2 TYR 431 2HB TYR 431 -1.237 -2.451 -0.538 209 HB3 TYR 431 1HB TYR 431 0.090 -3.370 -1.235 210 HD1 TYR 431 2HD TYR 431 -1.466 -2.637 2.093 211 HD2 TYR 431 1HD TYR 431 0.589 -5.452 -0.353 212 HE1 TYR 431 2HE TYR 431 -1.719 -4.346 3.852 213 HE2 TYR 431 1HE TYR 431 0.337 -7.161 1.398 214 HH TYR 431 HH TYR 431 -1.753 -7.119 3.726 215 H TYR 432 H TYR 432 2.438 -0.469 -1.368 216 HA TYR 432 HA TYR 432 0.561 1.628 -2.174 217 HB2 TYR 432 2HB TYR 432 3.544 1.439 -1.993 218 HB3 TYR 432 1HB TYR 432 2.820 2.626 -3.072 219 HD1 TYR 432 2HD TYR 432 3.121 1.571 0.453 220 HD2 TYR 432 1HD TYR 432 1.817 4.611 -2.222 221 HE1 TYR 432 2HE TYR 432 2.846 3.110 2.350 222 HE2 TYR 432 1HE TYR 432 1.538 6.161 -0.332 223 HH TYR 432 HH TYR 432 2.375 6.453 1.948 224 H LYS 433 H LYS 433 -0.015 2.015 -4.224 225 HA LYS 433 HA LYS 433 1.135 0.287 -6.319 226 HB2 LYS 433 2HB LYS 433 -1.663 0.780 -5.542 227 HB3 LYS 433 1HB LYS 433 -1.356 0.868 -7.271 228 HG2 LYS 433 2HG LYS 433 -0.088 -1.400 -6.790 229 HG3 LYS 433 1HG LYS 433 -1.203 -1.443 -5.428 230 HD2 LYS 433 2HD LYS 433 -2.138 -2.609 -7.357 231 HD3 LYS 433 1HD LYS 433 -3.092 -1.180 -6.960 232 HE2 LYS 433 2HE LYS 433 -2.560 -1.615 -9.426 233 HE3 LYS 433 1HE LYS 433 -2.292 0.012 -8.801 234 HZ1 LYS 433 3HZ LYS 433 -0.001 -0.288 -8.794 235 HZ2 LYS 433 1HZ LYS 433 -0.480 -1.035 -10.235 236 HZ3 LYS 433 2HZ LYS 433 -0.106 -1.973 -8.879 237 H CYS 434 H CYS 434 2.227 1.444 -7.783 238 HA CYS 434 HA CYS 434 1.733 4.274 -8.088 239 HB2 CYS 434 2HB CYS 434 4.020 3.783 -8.158 240 HB3 CYS 434 1HB CYS 434 3.783 2.343 -9.138 241 H THR 435 H THR 435 0.666 5.232 -9.719 242 HA THR 435 HA THR 435 -0.388 3.499 -11.853 243 HB THR 435 HB THR 435 -2.274 5.042 -12.047 244 HG1 THR 435 1HG THR 435 -2.440 6.660 -10.286 245 HG21 THR 435 3HG2 THR 435 -3.468 4.227 -10.262 246 HG22 THR 435 1HG2 THR 435 -2.165 4.533 -9.111 247 HG23 THR 435 2HG2 THR 435 -2.068 3.154 -10.208 248 H THR 436 H THR 436 -0.418 4.367 -14.006 249 HA THR 436 HA THR 436 0.541 6.951 -14.619 250 HB THR 436 HB THR 436 2.507 4.935 -15.577 251 HG1 THR 436 1HG THR 436 2.734 6.119 -12.998 252 HG21 THR 436 3HG2 THR 436 2.923 7.042 -16.440 253 HG22 THR 436 1HG2 THR 436 4.002 6.992 -15.046 254 HG23 THR 436 2HG2 THR 436 2.470 7.856 -14.943 255 HA PRO 437 HA PRO 437 -1.735 5.904 -18.277 256 HB2 PRO 437 2HB PRO 437 -0.223 7.439 -20.071 257 HB3 PRO 437 1HB PRO 437 -1.634 7.990 -19.165 258 HG2 PRO 437 2HG PRO 437 1.266 8.353 -18.571 259 HG3 PRO 437 1HG PRO 437 -0.088 9.467 -18.300 260 HD2 PRO 437 2HD PRO 437 1.004 8.109 -16.276 261 HD3 PRO 437 1HD PRO 437 -0.749 8.386 -16.350 262 H GLY 438 H GLY 438 -0.822 3.698 -18.110 263 HA2 GLY 438 2HA GLY 438 -0.207 2.131 -19.880 264 HA3 GLY 438 1HA GLY 438 1.108 3.219 -20.291 265 H CYS 439 H CYS 439 0.905 3.134 -16.967 266 HA CYS 439 HA CYS 439 2.629 0.774 -16.753 267 HB2 CYS 439 2HB CYS 439 4.448 2.042 -16.499 268 HB3 CYS 439 1HB CYS 439 3.493 3.512 -16.516 269 H GLY 440 H GLY 440 2.813 -0.142 -14.702 270 HA2 GLY 440 2HA GLY 440 1.180 0.837 -12.513 271 HA3 GLY 440 1HA GLY 440 0.612 -0.654 -13.253 272 H VAL 441 H VAL 441 2.704 0.709 -10.973 273 HA VAL 441 HA VAL 441 4.065 -1.884 -10.598 274 HB VAL 441 HB VAL 441 5.126 0.913 -10.393 275 HG11 VAL 441 1HG1 VAL 441 7.174 -0.251 -9.282 276 HG12 VAL 441 2HG1 VAL 441 5.975 -1.425 -8.739 277 HG13 VAL 441 3HG1 VAL 441 5.817 0.272 -8.287 278 HG21 VAL 441 3HG2 VAL 441 7.109 -0.265 -11.461 279 HG22 VAL 441 1HG2 VAL 441 5.646 -0.115 -12.435 280 HG23 VAL 441 2HG2 VAL 441 6.034 -1.650 -11.656 281 H ARG 442 H ARG 442 4.393 -2.570 -8.408 282 HA ARG 442 HA ARG 442 2.619 -1.225 -6.496 283 HB2 ARG 442 2HB ARG 442 3.484 -4.093 -6.809 284 HB3 ARG 442 1HB ARG 442 2.795 -3.500 -5.304 285 HG2 ARG 442 2HG ARG 442 0.732 -3.639 -6.104 286 HG3 ARG 442 1HG ARG 442 1.166 -2.729 -7.553 287 HD2 ARG 442 2HD ARG 442 0.355 -4.911 -8.185 288 HD3 ARG 442 1HD ARG 442 2.078 -4.796 -8.541 289 HE ARG 442 HE ARG 442 2.464 -6.468 -7.028 290 HH11 ARG 442 1HH1 ARG 442 -0.743 -5.196 -6.500 291 HH12 ARG 442 2HH1 ARG 442 -1.172 -6.418 -5.352 292 HH21 ARG 442 1HH2 ARG 442 1.902 -8.073 -5.519 293 HH22 ARG 442 2HH2 ARG 442 0.328 -8.053 -4.794 294 H LYS 443 H LYS 443 3.404 -1.902 -4.122 295 HA LYS 443 HA LYS 443 6.220 -2.022 -3.715 296 HB2 LYS 443 2HB LYS 443 6.135 0.297 -4.413 297 HB3 LYS 443 1HB LYS 443 4.848 0.633 -3.267 298 HG2 LYS 443 2HG LYS 443 6.333 0.293 -1.414 299 HG3 LYS 443 1HG LYS 443 7.622 -0.243 -2.495 300 HD2 LYS 443 2HD LYS 443 8.215 1.956 -2.124 301 HD3 LYS 443 1HD LYS 443 7.271 2.090 -3.608 302 HE2 LYS 443 2HE LYS 443 5.621 2.264 -1.221 303 HE3 LYS 443 1HE LYS 443 6.870 3.508 -1.268 304 HZ1 LYS 443 3HZ LYS 443 4.986 4.378 -2.362 305 HZ2 LYS 443 1HZ LYS 443 4.769 2.981 -3.290 306 HZ3 LYS 443 2HZ LYS 443 6.091 3.994 -3.582 307 H HIS 444 H HIS 444 6.716 -2.578 -1.636 308 HA HIS 444 HA HIS 444 4.440 -2.779 0.221 309 HB2 HIS 444 2HB HIS 444 6.587 -4.637 -0.543 310 HB3 HIS 444 1HB HIS 444 6.340 -4.508 1.196 311 HD1 HIS 444 1HD HIS 444 4.941 -6.014 -1.839 312 HD2 HIS 444 2HD HIS 444 3.679 -5.244 2.043 313 HE1 HIS 444 1HE HIS 444 2.898 -7.441 -1.502 314 HE2 HIS 444 2HE HIS 444 2.234 -7.057 0.897 315 H VAL 445 H VAL 445 4.607 -1.920 2.228 316 HA VAL 445 HA VAL 445 7.220 -0.853 3.054 317 HB VAL 445 HB VAL 445 4.618 0.632 3.441 318 HG11 VAL 445 1HG1 VAL 445 6.566 0.975 5.038 319 HG12 VAL 445 2HG1 VAL 445 5.920 2.416 4.252 320 HG13 VAL 445 3HG1 VAL 445 7.421 1.692 3.671 321 HG21 VAL 445 3HG2 VAL 445 5.595 0.339 1.016 322 HG22 VAL 445 1HG2 VAL 445 6.726 1.579 1.558 323 HG23 VAL 445 2HG2 VAL 445 4.993 1.901 1.566 324 H GLU 446 H GLU 446 7.785 -1.629 4.976 325 HA GLU 446 HA GLU 446 5.697 -2.154 6.973 326 HB2 GLU 446 2HB GLU 446 7.736 -4.042 5.884 327 HB3 GLU 446 1HB GLU 446 7.317 -4.158 7.586 328 HG2 GLU 446 2HG GLU 446 5.787 -5.595 6.790 329 HG3 GLU 446 1HG GLU 446 4.862 -4.112 6.560 330 H ARG 447 H ARG 447 6.434 -2.151 9.162 331 HA ARG 447 HA ARG 447 8.752 -0.409 9.547 332 HB2 ARG 447 2HB ARG 447 6.524 -1.204 11.428 333 HB3 ARG 447 1HB ARG 447 7.839 -0.113 11.843 334 HG2 ARG 447 2HG ARG 447 6.193 1.377 11.300 335 HG3 ARG 447 1HG ARG 447 7.009 1.208 9.745 336 HD2 ARG 447 2HD ARG 447 5.337 -0.480 9.086 337 HD3 ARG 447 1HD ARG 447 4.506 -0.230 10.617 338 HE ARG 447 HE ARG 447 4.016 2.030 9.888 339 HH11 ARG 447 1HH1 ARG 447 5.112 -0.185 7.408 340 HH12 ARG 447 2HH1 ARG 447 4.393 0.718 6.121 341 HH21 ARG 447 1HH2 ARG 447 3.077 3.206 8.185 342 HH22 ARG 447 2HH2 ARG 447 3.244 2.637 6.558 343 H ALA 448 H ALA 448 10.114 -0.843 11.516 344 HA ALA 448 HA ALA 448 10.860 -3.662 11.511 345 HB1 ALA 448 1HB ALA 448 12.724 -2.325 11.133 346 HB2 ALA 448 2HB ALA 448 12.855 -2.736 12.842 347 HB3 ALA 448 3HB ALA 448 12.254 -1.150 12.362 348 H ALA 449 H ALA 449 10.529 -5.009 13.146 349 HA ALA 449 HA ALA 449 8.761 -4.592 15.188 350 HB1 ALA 449 1HB ALA 449 10.020 -6.750 14.317 351 HB2 ALA 449 2HB ALA 449 9.251 -6.694 15.902 352 HB3 ALA 449 3HB ALA 449 10.992 -6.460 15.758 353 H THR 450 H THR 450 12.319 -4.465 15.510 354 HA THR 450 HA THR 450 11.992 -3.264 18.156 355 HB THR 450 HB THR 450 13.580 -5.112 17.991 356 HG1 THR 450 1HG THR 450 14.886 -2.606 18.383 357 HG21 THR 450 3HG2 THR 450 15.011 -3.332 16.015 358 HG22 THR 450 1HG2 THR 450 14.290 -4.909 15.695 359 HG23 THR 450 2HG2 THR 450 15.705 -4.783 16.739 360 H ASP 451 H ASP 451 11.379 -1.754 15.719 361 HA ASP 451 HA ASP 451 12.643 0.674 16.404 362 HB2 ASP 451 2HB ASP 451 14.477 -0.590 15.122 363 HB3 ASP 451 1HB ASP 451 13.487 -0.324 13.691 364 HA PRO 452 HA PRO 452 8.615 1.117 14.236 365 HB2 PRO 452 2HB PRO 452 7.863 3.319 15.660 366 HB3 PRO 452 1HB PRO 452 7.585 1.663 16.208 367 HG2 PRO 452 2HG PRO 452 9.753 3.577 16.979 368 HG3 PRO 452 1HG PRO 452 8.811 2.479 18.005 369 HD2 PRO 452 2HD PRO 452 11.323 1.901 17.205 370 HD3 PRO 452 1HD PRO 452 10.091 0.644 17.432 371 H LYS 453 H LYS 453 11.397 3.083 14.587 372 HA LYS 453 HA LYS 453 10.413 5.174 12.824 373 HB2 LYS 453 2HB LYS 453 12.738 4.811 14.604 374 HB3 LYS 453 1HB LYS 453 13.053 5.728 13.139 375 HG2 LYS 453 2HG LYS 453 10.989 6.345 15.241 376 HG3 LYS 453 1HG LYS 453 12.482 7.230 14.927 377 HD2 LYS 453 2HD LYS 453 11.228 8.550 13.624 378 HD3 LYS 453 1HD LYS 453 11.261 7.220 12.467 379 HE2 LYS 453 2HE LYS 453 9.226 6.707 14.396 380 HE3 LYS 453 1HE LYS 453 9.027 8.351 13.792 381 HZ1 LYS 453 3HZ LYS 453 8.575 5.846 12.463 382 HZ2 LYS 453 1HZ LYS 453 9.510 6.916 11.544 383 HZ3 LYS 453 2HZ LYS 453 7.981 7.386 12.094 384 H ALA 454 H ALA 454 12.162 2.218 12.621 385 HA ALA 454 HA ALA 454 13.376 2.889 10.063 386 HB1 ALA 454 1HB ALA 454 13.442 0.113 11.100 387 HB2 ALA 454 2HB ALA 454 14.297 1.346 12.028 388 HB3 ALA 454 3HB ALA 454 14.711 1.070 10.335 389 H VAL 455 H VAL 455 12.506 2.413 8.140 390 HA VAL 455 HA VAL 455 10.200 0.576 8.086 391 HB VAL 455 HB VAL 455 10.576 2.951 6.262 392 HG11 VAL 455 1HG1 VAL 455 8.148 1.251 6.807 393 HG12 VAL 455 2HG1 VAL 455 9.203 1.083 5.405 394 HG13 VAL 455 3HG1 VAL 455 8.277 2.565 5.640 395 HG21 VAL 455 3HG2 VAL 455 9.452 2.765 8.975 396 HG22 VAL 455 1HG2 VAL 455 8.442 3.600 7.794 397 HG23 VAL 455 2HG2 VAL 455 10.086 4.159 8.100 398 H VAL 456 H VAL 456 9.940 -0.743 6.283 399 HA VAL 456 HA VAL 456 12.363 -1.083 4.647 400 HB VAL 456 HB VAL 456 12.082 -3.358 4.622 401 HG11 VAL 456 1HG1 VAL 456 12.062 -3.978 6.783 402 HG12 VAL 456 2HG1 VAL 456 10.468 -3.282 7.078 403 HG13 VAL 456 3HG1 VAL 456 11.899 -2.248 7.082 404 HG21 VAL 456 3HG2 VAL 456 9.127 -2.946 5.053 405 HG22 VAL 456 1HG2 VAL 456 9.912 -4.523 4.969 406 HG23 VAL 456 2HG2 VAL 456 9.926 -3.455 3.566 407 H THR 457 H THR 457 12.174 -1.246 2.394 408 HA THR 457 HA THR 457 9.478 -0.811 1.303 409 HB THR 457 HB THR 457 11.827 0.617 0.104 410 HG1 THR 457 1HG THR 457 10.219 1.432 2.305 411 HG21 THR 457 3HG2 THR 457 9.020 1.623 0.193 412 HG22 THR 457 1HG2 THR 457 9.408 0.291 -0.898 413 HG23 THR 457 2HG2 THR 457 10.254 1.833 -1.050 414 H THR 458 H THR 458 8.967 -2.213 -0.209 415 HA THR 458 HA THR 458 11.122 -3.472 -1.777 416 HB THR 458 HB THR 458 8.571 -4.938 -1.605 417 HG1 THR 458 1HG THR 458 10.195 -4.470 0.679 418 HG21 THR 458 3HG2 THR 458 10.691 -5.739 -2.687 419 HG22 THR 458 1HG2 THR 458 10.015 -6.841 -1.488 420 HG23 THR 458 2HG2 THR 458 11.403 -5.834 -1.075 421 H TYR 459 H TYR 459 11.009 -3.203 -3.927 422 HA TYR 459 HA TYR 459 8.577 -1.984 -5.026 423 HB2 TYR 459 2HB TYR 459 11.452 -1.992 -5.912 424 HB3 TYR 459 1HB TYR 459 10.159 -1.545 -7.021 425 HD1 TYR 459 1HD TYR 459 8.457 0.257 -5.989 426 HD2 TYR 459 2HD TYR 459 12.497 -0.292 -4.767 427 HE1 TYR 459 1HE TYR 459 8.499 2.552 -5.113 428 HE2 TYR 459 2HE TYR 459 12.547 2.003 -3.887 429 HH TYR 459 HH TYR 459 9.706 3.905 -3.544 430 H GLU 460 H GLU 460 7.244 -3.157 -6.219 431 HA GLU 460 HA GLU 460 8.219 -5.693 -7.340 432 HB2 GLU 460 2HB GLU 460 5.487 -4.769 -6.475 433 HB3 GLU 460 1HB GLU 460 5.700 -6.181 -7.500 434 HG2 GLU 460 2HG GLU 460 6.781 -7.384 -5.831 435 HG3 GLU 460 1HG GLU 460 7.158 -5.936 -4.900 436 H GLY 461 H GLY 461 8.990 -5.135 -9.331 437 HA2 GLY 461 2HA GLY 461 8.565 -5.003 -11.642 438 HA3 GLY 461 1HA GLY 461 6.979 -4.333 -11.291 439 H LYS 462 H LYS 462 9.191 -3.452 -13.101 440 HA LYS 462 HA LYS 462 9.970 -0.898 -11.934 441 HB2 LYS 462 2HB LYS 462 11.373 -0.622 -13.890 442 HB3 LYS 462 1HB LYS 462 11.628 -2.221 -13.204 443 HG2 LYS 462 2HG LYS 462 10.885 -3.263 -15.037 444 HG3 LYS 462 1HG LYS 462 9.566 -2.118 -15.279 445 HD2 LYS 462 2HD LYS 462 10.981 -0.579 -16.386 446 HD3 LYS 462 1HD LYS 462 12.436 -1.434 -15.871 447 HE2 LYS 462 2HE LYS 462 12.144 -3.129 -17.411 448 HE3 LYS 462 1HE LYS 462 10.407 -2.851 -17.543 449 HZ1 LYS 462 3HZ LYS 462 12.247 -0.752 -18.449 450 HZ2 LYS 462 1HZ LYS 462 10.699 -1.143 -19.010 451 HZ3 LYS 462 2HZ LYS 462 12.020 -2.110 -19.432 452 H HIS 463 H HIS 463 9.936 0.950 -13.726 453 HA HIS 463 HA HIS 463 7.176 1.056 -14.759 454 HB2 HIS 463 2HB HIS 463 8.758 3.493 -13.971 455 HB3 HIS 463 1HB HIS 463 7.017 3.335 -14.187 456 HD2 HIS 463 2HD HIS 463 9.485 1.468 -11.706 457 HE1 HIS 463 1HE HIS 463 6.105 2.898 -9.578 458 HE2 HIS 463 2HE HIS 463 8.201 1.502 -9.469 459 H ASN 464 H ASN 464 6.837 1.779 -16.798 460 HA ASN 464 HA ASN 464 9.240 2.183 -18.434 461 HB2 ASN 464 2HB ASN 464 6.433 1.371 -19.221 462 HB3 ASN 464 1HB ASN 464 7.757 1.622 -20.356 463 HD21 ASN 464 1HD2 ASN 464 6.070 -0.739 -19.262 464 HD22 ASN 464 2HD2 ASN 464 7.257 -1.968 -19.006 465 H HIS 465 H HIS 465 8.792 4.419 -17.102 466 HA HIS 465 HA HIS 465 8.080 6.286 -19.153 467 HB2 HIS 465 2HB HIS 465 6.324 7.449 -17.929 468 HB3 HIS 465 1HB HIS 465 5.849 5.780 -18.215 469 HD1 HIS 465 1HD HIS 465 7.074 8.038 -15.439 470 HD2 HIS 465 2HD HIS 465 5.280 4.329 -15.963 471 HE1 HIS 465 1HE HIS 465 6.404 7.284 -13.131 472 H ASP 466 H ASP 466 8.978 8.309 -18.795 473 HA ASP 466 HA ASP 466 11.085 8.418 -16.876 474 HB2 ASP 466 2HB ASP 466 10.691 9.602 -19.276 475 HB3 ASP 466 1HB ASP 466 10.241 10.925 -18.206 476 H LEU 467 H LEU 467 11.266 10.748 -15.725 477 HA LEU 467 HA LEU 467 9.326 10.678 -13.658 478 HB2 LEU 467 2HB LEU 467 11.800 12.102 -14.232 479 HB3 LEU 467 1HB LEU 467 10.622 13.114 -13.418 480 HG LEU 467 HG LEU 467 12.184 11.991 -11.863 481 HD11 LEU 467 1HD1 LEU 467 9.551 12.450 -11.545 482 HD12 LEU 467 2HD1 LEU 467 10.599 11.830 -10.270 483 HD13 LEU 467 3HD1 LEU 467 9.609 10.719 -11.214 484 HD21 LEU 467 3HD2 LEU 467 11.318 9.656 -13.383 485 HD22 LEU 467 1HD2 LEU 467 11.235 9.425 -11.636 486 HD23 LEU 467 2HD2 LEU 467 12.757 9.896 -12.392 487 HA PRO 468 HA PRO 468 6.362 13.300 -15.748 488 HB2 PRO 468 2HB PRO 468 4.495 13.342 -13.802 489 HB3 PRO 468 1HB PRO 468 4.761 11.930 -14.831 490 HG2 PRO 468 2HG PRO 468 5.714 12.447 -12.044 491 HG3 PRO 468 1HG PRO 468 5.051 10.958 -12.741 492 HD2 PRO 468 2HD PRO 468 7.721 11.394 -12.391 493 HD3 PRO 468 1HD PRO 468 7.063 10.350 -13.664 494 H ALA 469 H ALA 469 7.967 15.059 -15.526 495 HA ALA 469 HA ALA 469 8.636 17.134 -14.860 496 HB1 ALA 469 1HB ALA 469 5.685 17.113 -14.504 497 HB2 ALA 469 2HB ALA 469 6.687 18.060 -15.603 498 HB3 ALA 469 3HB ALA 469 6.589 18.501 -13.898 499 H5' DC 3 H5' DC 3 -5.673 12.771 -10.961 500 H5'' DC 3 H5" DC 3 -6.597 14.124 -10.281 501 H4' DC 3 H4' DC 3 -4.666 12.886 -8.444 502 H3' DC 3 H3' DC 3 -6.765 11.177 -9.691 503 H2' DC 3 H2' DC 3 -7.771 10.674 -7.642 504 H2'' DC 3 H2" DC 3 -6.219 10.615 -6.821 505 H1' DC 3 H1' DC 3 -6.361 12.777 -6.096 506 H41 DC 3 1H4 DC 3 -12.258 14.470 -4.554 507 H42 DC 3 2H4 DC 3 -12.934 13.531 -5.866 508 H5 DC 3 5H DC 3 -11.566 12.331 -7.467 509 H6 DC 3 6H DC 3 -9.279 11.793 -8.127 510 H5' DC 4 H5' DC 4 -3.218 10.364 -6.913 511 H5'' DC 4 H5" DC 4 -2.822 8.688 -6.479 512 H4' DC 4 H4' DC 4 -2.863 10.475 -4.638 513 H3' DC 4 H3' DC 4 -3.121 7.795 -4.405 514 H2' DC 4 H2' DC 4 -5.511 7.653 -4.495 515 H2'' DC 4 H2" DC 4 -5.271 7.825 -2.761 516 H1' DC 4 H1' DC 4 -5.699 10.184 -2.799 517 H41 DC 4 1H4 DC 4 -11.707 10.276 -4.761 518 H42 DC 4 2H4 DC 4 -11.330 9.351 -6.197 519 H5 DC 4 5H DC 4 -9.090 8.596 -6.727 520 H6 DC 4 6H DC 4 -6.766 8.577 -5.986 521 H5' DT 5 H5' DT 5 -3.899 10.308 -0.771 522 H5'' DT 5 H5" DT 5 -2.513 10.025 0.303 523 H4' DT 5 H4' DT 5 -4.169 10.837 1.708 524 H3' DT 5 H3' DT 5 -3.247 8.397 2.334 525 H2' DT 5 H2' DT 5 -4.917 7.057 1.270 526 H2'' DT 5 H2" DT 5 -5.642 7.240 2.862 527 H1' DT 5 H1' DT 5 -7.110 8.971 2.162 528 H3 DT 5 3H DT 5 -10.203 7.660 -0.796 529 H71 DT 5 1H7 DT 5 -6.518 6.196 -3.585 530 H72 DT 5 2H7 DT 5 -5.487 5.529 -2.298 531 H73 DT 5 3H7 DT 5 -7.034 4.745 -2.693 532 H6 DT 5 6H DT 5 -5.480 7.046 -0.534 533 H5' DT 6 H5' DT 6 -6.024 8.945 6.279 534 H5'' DT 6 H5" DT 6 -5.009 8.167 7.512 535 H4' DT 6 H4' DT 6 -7.110 7.071 7.499 536 H3' DT 6 H3' DT 6 -4.789 5.519 6.561 537 H2' DT 6 H2' DT 6 -6.014 4.111 5.170 538 H2'' DT 6 H2" DT 6 -7.146 3.802 6.477 539 H1' DT 6 H1' DT 6 -8.647 5.432 5.813 540 H3 DT 6 3H DT 6 -10.372 5.132 1.724 541 H71 DT 6 1H7 DT 6 -5.633 3.397 0.878 542 H72 DT 6 2H7 DT 6 -6.296 4.563 -0.292 543 H73 DT 6 3H7 DT 6 -5.136 5.104 0.945 544 H6 DT 6 6H DT 6 -5.906 4.925 3.379 545 H5' DT 7 H5' DT 7 -7.487 3.592 10.055 546 H5'' DT 7 H5" DT 7 -6.835 2.038 10.614 547 H4' DT 7 H4' DT 7 -9.284 2.188 9.822 548 H3' DT 7 H3' DT 7 -7.489 0.018 9.827 549 H2' DT 7 H2' DT 7 -7.339 -0.318 7.500 550 H2'' DT 7 H2" DT 7 -8.943 -1.013 7.695 551 H1' DT 7 H1' DT 7 -10.060 1.002 7.104 552 H3 DT 7 3H DT 7 -9.611 1.221 2.672 553 H71 DT 7 1H7 DT 7 -4.879 2.617 4.540 554 H72 DT 7 2H7 DT 7 -5.136 2.122 2.851 555 H73 DT 7 3H7 DT 7 -4.694 0.909 4.078 556 H6 DT 7 6H DT 7 -6.481 1.488 6.260 557 H5' DG 8 H5' DG 8 -12.120 -0.850 9.567 558 H5'' DG 8 H5" DG 8 -12.387 -1.943 10.942 559 H4' DG 8 H4' DG 8 -14.019 -2.378 9.238 560 H3' DG 8 H3' DG 8 -12.742 -4.401 10.411 561 H2' DG 8 H2' DG 8 -10.905 -4.622 8.883 562 H2'' DG 8 H2" DG 8 -12.033 -5.787 8.208 563 H1' DG 8 H1' DG 8 -12.786 -4.289 6.512 564 H8 DG 8 8H DG 8 -9.384 -3.460 8.093 565 H1 DG 8 1H DG 8 -9.667 -2.953 1.707 566 H21 DG 8 1H2 DG 8 -11.725 -3.242 1.007 567 H22 DG 8 2H2 DG 8 -13.048 -3.564 2.104 568 H5' DA 9 H5' DA 9 -15.891 -5.528 6.912 569 H5'' DA 9 H5" DA 9 -16.827 -6.784 7.747 570 H4' DA 9 H4' DA 9 -16.953 -7.071 5.351 571 H3' DA 9 H3' DA 9 -16.575 -9.153 6.981 572 H2' DA 9 H2' DA 9 -14.182 -9.229 6.962 573 H2'' DA 9 H2" DA 9 -14.542 -10.333 5.644 574 H1' DA 9 H1' DA 9 -14.136 -8.698 3.965 575 H8 DA 9 8H DA 9 -12.572 -8.005 7.410 576 H61 DA 9 2H6 DA 9 -8.125 -6.795 5.862 577 H62 DA 9 1H6 DA 9 -7.430 -6.564 4.274 578 H2 DA 9 2H DA 9 -10.706 -7.322 1.307 579 H5' DC 10 H5' DC 10 -17.449 -10.547 2.044 580 H5'' DC 10 H5" DC 10 -18.028 -12.165 2.490 581 H4' DC 10 H4' DC 10 -16.817 -11.881 0.262 582 H3' DC 10 H3' DC 10 -17.090 -14.119 1.729 583 H2' DC 10 H2' DC 10 -15.093 -14.015 3.026 584 H2'' DC 10 H2" DC 10 -14.478 -14.876 1.622 585 H1' DC 10 H1' DC 10 -13.496 -12.948 0.672 586 H41 DC 10 1H4 DC 10 -9.606 -10.821 5.195 587 H42 DC 10 2H4 DC 10 -10.841 -10.992 6.421 588 H5 DC 10 5H DC 10 -13.085 -11.747 5.939 589 H6 DC 10 6H DC 10 -14.607 -12.486 4.182 590 H5' DC 11 H5' DC 11 -14.528 -15.157 -2.316 591 H5'' DC 11 H5" DC 11 -15.305 -16.658 -2.860 592 H4' DC 11 H4' DC 11 -12.957 -16.820 -3.242 593 H3' DC 11 H3' DC 11 -14.278 -18.804 -1.911 594 H2' DC 11 H2' DC 11 -13.566 -18.262 0.306 595 H2'' DC 11 H2" DC 11 -12.254 -19.325 -0.184 596 H1' DC 11 H1' DC 11 -10.836 -17.489 -0.836 597 H41 DC 11 1H4 DC 11 -9.899 -14.489 4.666 598 H42 DC 11 2H4 DC 11 -11.561 -14.733 5.144 599 H5 DC 11 5H DC 11 -13.207 -15.792 3.722 600 H6 DC 11 6H DC 11 -13.594 -16.830 1.548 601 H5' DA 12 H5' DA 12 -9.756 -19.764 -3.302 602 H5'' DA 12 H5" DA 12 -9.950 -21.353 -4.072 603 H4' DA 12 H4' DA 12 -7.745 -21.212 -3.194 604 H3' DA 12 H3' DA 12 -9.244 -23.361 -2.623 605 H2' DA 12 H2' DA 12 -10.116 -22.665 -0.507 606 H2'' DA 12 H2" DA 12 -8.673 -23.523 0.015 607 H1' DA 12 H1' DA 12 -7.401 -21.521 0.269 608 H8 DA 12 8H DA 12 -11.229 -21.160 0.392 609 H61 DA 12 2H6 DA 12 -11.470 -18.251 4.284 610 H62 DA 12 1H6 DA 12 -10.255 -17.450 5.257 611 H2 DA 12 2H DA 12 -6.272 -18.526 3.506 612 H5' DT 21 H5' DT 21 -1.336 -16.804 10.041 613 H5'' DT 21 H5" DT 21 -2.648 -17.911 9.594 614 H4' DT 21 H4' DT 21 -1.006 -16.943 7.354 615 H3' DT 21 H3' DT 21 -2.439 -14.967 9.079 616 H2' DT 21 H2' DT 21 -3.606 -14.066 7.244 617 H2'' DT 21 H2" DT 21 -2.316 -14.460 6.118 618 H1' DT 21 H1' DT 21 -3.357 -16.395 5.503 619 H3 DT 21 3H DT 21 -7.750 -17.324 5.358 620 H71 DT 21 1H7 DT 21 -8.697 -14.741 8.985 621 H72 DT 21 2H7 DT 21 -7.479 -13.460 8.773 622 H73 DT 21 3H7 DT 21 -7.174 -14.798 9.905 623 H6 DT 21 6H DT 21 -5.023 -14.815 8.357 624 H5' DG 22 H5' DG 22 -0.348 -15.072 5.113 625 H5'' DG 22 H5" DG 22 0.893 -13.802 5.194 626 H4' DG 22 H4' DG 22 0.394 -13.856 2.954 627 H3' DG 22 H3' DG 22 -0.990 -11.631 4.317 628 H2' DG 22 H2' DG 22 -2.518 -11.203 2.559 629 H2'' DG 22 H2" DG 22 -1.532 -12.023 1.360 630 H1' DG 22 H1' DG 22 -3.026 -13.773 1.708 631 H8 DG 22 8H DG 22 -2.779 -12.259 5.266 632 H1 DG 22 1H DG 22 -8.499 -14.600 3.549 633 H21 DG 22 1H2 DG 22 -8.408 -15.430 1.560 634 H22 DG 22 2H2 DG 22 -6.970 -15.454 0.580 635 H5' DG 23 H5' DG 23 -0.097 -11.191 -0.092 636 H5'' DG 23 H5" DG 23 -0.031 -9.475 -0.541 637 H4' DG 23 H4' DG 23 -1.771 -11.068 -1.631 638 H3' DG 23 H3' DG 23 -1.705 -8.332 -1.466 639 H2' DG 23 H2' DG 23 -3.205 -8.033 0.357 640 H2'' DG 23 H2" DG 23 -4.377 -8.128 -0.951 641 H1' DG 23 H1' DG 23 -4.829 -10.443 -0.576 642 H8 DG 23 8H DG 23 -2.948 -9.267 2.595 643 H1 DG 23 1H DG 23 -9.078 -10.940 3.443 644 H21 DG 23 1H2 DG 23 -9.972 -11.517 1.582 645 H22 DG 23 2H2 DG 23 -9.161 -11.526 0.050 646 H5' DT 24 H5' DT 24 -5.055 -8.885 -4.963 647 H5'' DT 24 H5" DT 24 -4.525 -7.643 -6.117 648 H4' DT 24 H4' DT 24 -6.773 -7.170 -5.614 649 H3' DT 24 H3' DT 24 -4.860 -5.296 -4.275 650 H2' DT 24 H2' DT 24 -6.610 -4.281 -3.053 651 H2'' DT 24 H2" DT 24 -7.821 -4.705 -4.254 652 H1' DT 24 H1' DT 24 -8.394 -6.559 -3.047 653 H3 DT 24 3H DT 24 -8.370 -6.608 1.404 654 H71 DT 24 1H7 DT 24 -3.903 -4.486 0.723 655 H72 DT 24 2H7 DT 24 -3.274 -5.963 -0.044 656 H73 DT 24 3H7 DT 24 -3.818 -6.004 1.649 657 H6 DT 24 6H DT 24 -4.976 -5.774 -1.833 658 H5' DC 25 H5' DC 25 -8.571 -4.984 -6.345 659 H5'' DC 25 H5" DC 25 -8.650 -3.715 -7.586 660 H4' DC 25 H4' DC 25 -10.848 -4.210 -6.684 661 H3' DC 25 H3' DC 25 -10.027 -1.696 -7.144 662 H2' DC 25 H2' DC 25 -9.227 -1.133 -4.966 663 H2'' DC 25 H2" DC 25 -10.899 -0.613 -4.817 664 H1' DC 25 H1' DC 25 -11.566 -2.578 -3.662 665 H41 DC 25 1H4 DC 25 -7.816 -2.611 1.423 666 H42 DC 25 2H4 DC 25 -6.389 -2.290 0.465 667 H5 DC 25 5H DC 25 -6.453 -2.070 -1.945 668 H6 DC 25 6H DC 25 -7.886 -2.159 -3.918 669 H5' DA 26 H5' DA 26 -13.718 -2.007 -4.907 670 H5'' DA 26 H5" DA 26 -15.120 -1.694 -5.950 671 H4' DA 26 H4' DA 26 -15.962 -1.234 -3.870 672 H3' DA 26 H3' DA 26 -15.894 0.928 -5.455 673 H2' DA 26 H2' DA 26 -13.813 1.865 -4.721 674 H2'' DA 26 H2" DA 26 -14.930 2.688 -3.642 675 H1' DA 26 H1' DA 26 -14.507 1.192 -1.831 676 H8 DA 26 8H DA 26 -11.785 1.409 -4.542 677 H61 DA 26 2H6 DA 26 -7.956 1.786 -1.569 678 H62 DA 26 1H6 DA 26 -7.775 1.697 0.169 679 H2 DA 26 2H DA 26 -11.863 0.962 1.861 680 H5' DA 27 H5' DA 27 -18.375 1.744 -0.795 681 H5'' DA 27 H5" DA 27 -19.575 2.507 -1.859 682 H4' DA 27 H4' DA 27 -19.568 3.460 0.400 683 H3' DA 27 H3' DA 27 -19.944 4.935 -1.773 684 H2' DA 27 H2' DA 27 -17.672 5.486 -2.290 685 H2'' DA 27 H2" DA 27 -18.113 6.869 -1.298 686 H1' DA 27 H1' DA 27 -17.022 6.024 0.625 687 H8 DA 27 8H DA 27 -15.913 4.717 -2.778 688 H61 DA 27 2H6 DA 27 -11.146 4.426 -1.880 689 H62 DA 27 1H6 DA 27 -10.185 4.617 -0.431 690 H2 DA 27 2H DA 27 -13.038 5.556 2.901 691 H5' DA 28 H5' DA 28 -19.006 7.630 2.591 692 H5'' DA 28 H5" DA 28 -20.319 8.759 2.196 693 H4' DA 28 H4' DA 28 -18.546 9.878 3.403 694 H3' DA 28 H3' DA 28 -19.709 10.981 1.238 695 H2' DA 28 H2' DA 28 -18.116 10.351 -0.426 696 H2'' DA 28 H2" DA 28 -17.431 11.889 0.077 697 H1' DA 28 H1' DA 28 -15.819 10.876 1.503 698 H8 DA 28 8H DA 28 -17.280 8.665 -1.281 699 H61 DA 28 2H6 DA 28 -13.098 6.745 -2.846 700 H62 DA 28 1H6 DA 28 -11.447 6.850 -2.282 701 H2 DA 28 2H DA 28 -11.482 9.485 1.346 702 H5' DG 29 H5' DG 29 -17.265 14.475 4.003 703 H5'' DG 29 H5" DG 29 -17.144 15.975 3.058 704 H4' DG 29 H4' DG 29 -15.093 14.791 4.365 705 H3' DG 29 H3' DG 29 -15.278 17.068 2.911 706 H2' DG 29 H2' DG 29 -14.912 16.133 0.738 707 H2'' DG 29 H2" DG 29 -13.258 16.506 1.202 708 H1' DG 29 H1' DG 29 -12.812 14.265 1.936 709 H8 DG 29 8H DG 29 -16.079 13.888 -0.117 710 H1 DG 29 1H DG 29 -10.800 11.320 -2.700 711 H21 DG 29 1H2 DG 29 -9.054 11.728 -1.438 712 H22 DG 29 2H2 DG 29 -9.170 12.637 0.052 713 H5' DG 30 H5' DG 30 -10.416 16.849 4.519 714 H5'' DG 30 H5" DG 30 -10.653 18.366 5.410 715 H4' DG 30 H4' DG 30 -8.453 18.348 4.488 716 H3' DG 30 H3' DG 30 -9.977 20.513 4.186 717 H2' DG 30 H2' DG 30 -10.984 20.017 2.079 718 H2'' DG 30 H2" DG 30 -9.573 20.916 1.536 719 H1' DG 30 H1' DG 30 -8.370 18.967 0.946 720 H8 DG 30 8H DG 30 -12.164 18.669 1.223 721 H1 DG 30 1H DG 30 -9.506 15.198 -3.466 722 H21 DG 30 1H2 DG 30 -7.317 15.255 -3.315 723 H22 DG 30 2H2 DG 30 -6.489 16.149 -2.060 Start of MODEL 7 1 H LEU 407 H LEU 407 6.580 7.287 -1.619 2 HA LEU 407 HA LEU 407 4.908 7.795 -0.157 3 HB2 LEU 407 2HB LEU 407 6.611 6.342 1.632 4 HB3 LEU 407 1HB LEU 407 6.214 7.883 2.366 5 HG LEU 407 HG LEU 407 4.083 6.082 1.248 6 HD11 LEU 407 2HD1 LEU 407 5.643 5.800 3.733 7 HD12 LEU 407 3HD1 LEU 407 4.753 4.594 2.801 8 HD13 LEU 407 1HD1 LEU 407 3.891 5.673 3.896 9 HD21 LEU 407 1HD2 LEU 407 3.670 7.850 3.578 10 HD22 LEU 407 2HD2 LEU 407 2.600 7.484 2.225 11 HD23 LEU 407 3HD2 LEU 407 3.915 8.641 2.021 12 H LEU 408 H LEU 408 6.809 9.275 -1.605 13 HA LEU 408 HA LEU 408 6.499 11.826 -0.485 14 HB2 LEU 408 2HB LEU 408 8.467 10.558 0.833 15 HB3 LEU 408 1HB LEU 408 9.399 11.241 -0.485 16 HG LEU 408 HG LEU 408 8.120 13.454 0.222 17 HD11 LEU 408 1HD1 LEU 408 6.949 11.940 2.025 18 HD12 LEU 408 2HD1 LEU 408 7.412 13.602 2.392 19 HD13 LEU 408 3HD1 LEU 408 8.426 12.266 2.932 20 HD21 LEU 408 3HD2 LEU 408 10.559 13.081 0.174 21 HD22 LEU 408 1HD2 LEU 408 10.459 12.360 1.780 22 HD23 LEU 408 2HD2 LEU 408 10.046 14.058 1.550 23 H ASP 409 H ASP 409 5.932 10.894 -2.924 24 HA ASP 409 HA ASP 409 6.285 11.085 -5.177 25 HB2 ASP 409 2HB ASP 409 7.062 13.694 -3.952 26 HB3 ASP 409 1HB ASP 409 7.309 13.470 -5.681 27 H ASP 410 H ASP 410 8.057 9.354 -4.681 28 HA ASP 410 HA ASP 410 10.781 10.157 -4.962 29 HB2 ASP 410 2HB ASP 410 11.200 7.721 -5.307 30 HB3 ASP 410 1HB ASP 410 10.276 8.072 -3.850 31 H GLY 411 H GLY 411 8.212 9.802 -7.148 32 HA2 GLY 411 2HA GLY 411 9.180 10.850 -9.374 33 HA3 GLY 411 1HA GLY 411 9.939 9.266 -9.444 34 H TYR 412 H TYR 412 7.613 7.980 -8.162 35 HA TYR 412 HA TYR 412 5.797 8.012 -10.483 36 HB2 TYR 412 2HB TYR 412 6.384 5.732 -8.582 37 HB3 TYR 412 1HB TYR 412 5.314 5.662 -9.974 38 HD1 TYR 412 1HD TYR 412 8.842 5.988 -8.926 39 HD2 TYR 412 2HD TYR 412 6.173 5.286 -12.158 40 HE1 TYR 412 1HE TYR 412 10.730 5.265 -10.320 41 HE2 TYR 412 2HE TYR 412 8.053 4.565 -13.567 42 HH TYR 412 HH TYR 412 10.446 4.806 -13.704 43 H ARG 413 H ARG 413 3.658 6.687 -9.597 44 HA ARG 413 HA ARG 413 2.733 8.242 -7.272 45 HB2 ARG 413 2HB ARG 413 1.492 7.687 -9.908 46 HB3 ARG 413 1HB ARG 413 0.420 7.629 -8.515 47 HG2 ARG 413 2HG ARG 413 2.147 9.954 -9.339 48 HG3 ARG 413 1HG ARG 413 0.396 9.830 -9.521 49 HD2 ARG 413 2HD ARG 413 0.046 10.461 -7.410 50 HD3 ARG 413 1HD ARG 413 1.239 9.322 -6.796 51 HE ARG 413 HE ARG 413 2.855 10.990 -6.867 52 HH11 ARG 413 1HH1 ARG 413 -0.149 12.137 -8.235 53 HH12 ARG 413 2HH1 ARG 413 0.305 13.804 -8.148 54 HH21 ARG 413 1HH2 ARG 413 3.451 13.188 -6.757 55 HH22 ARG 413 2HH2 ARG 413 2.347 14.400 -7.314 56 H TRP 414 H TRP 414 2.307 7.037 -5.542 57 HA TRP 414 HA TRP 414 1.588 4.210 -5.964 58 HB2 TRP 414 2HB TRP 414 2.926 5.403 -3.532 59 HB3 TRP 414 1HB TRP 414 2.664 3.693 -3.866 60 HD1 TRP 414 HD TRP 414 4.844 6.653 -4.968 61 HE1 TRP 414 1HE TRP 414 6.902 5.729 -6.209 62 HE3 TRP 414 3HE TRP 414 3.512 1.728 -5.175 63 HZ2 TRP 414 2HZ TRP 414 7.835 3.236 -7.153 64 HZ3 TRP 414 3HZ TRP 414 5.040 0.135 -6.267 65 HH2 TRP 414 HH TRP 414 7.157 0.877 -7.235 66 H ARG 415 H ARG 415 -0.167 3.373 -5.017 67 HA ARG 415 HA ARG 415 -1.848 5.209 -3.449 68 HB2 ARG 415 2HB ARG 415 -2.749 4.457 -5.649 69 HB3 ARG 415 1HB ARG 415 -2.709 2.800 -5.061 70 HG2 ARG 415 2HG ARG 415 -4.265 3.465 -3.249 71 HG3 ARG 415 1HG ARG 415 -4.373 5.063 -3.987 72 HD2 ARG 415 2HD ARG 415 -6.129 4.184 -5.077 73 HD3 ARG 415 1HD ARG 415 -4.896 3.479 -6.120 74 HE ARG 415 HE ARG 415 -5.163 1.625 -4.183 75 HH11 ARG 415 1HH1 ARG 415 -7.481 3.274 -6.206 76 HH12 ARG 415 2HH1 ARG 415 -8.604 1.955 -6.207 77 HH21 ARG 415 1HH2 ARG 415 -6.634 -0.110 -4.186 78 HH22 ARG 415 2HH2 ARG 415 -8.122 0.033 -5.061 79 H LYS 416 H LYS 416 -2.210 4.741 -1.396 80 HA LYS 416 HA LYS 416 -1.128 2.391 -0.191 81 HB2 LYS 416 2HB LYS 416 -0.999 4.028 1.364 82 HB3 LYS 416 1HB LYS 416 -2.340 4.923 0.675 83 HG2 LYS 416 2HG LYS 416 -3.887 3.905 2.021 84 HG3 LYS 416 1HG LYS 416 -2.926 2.443 2.215 85 HD2 LYS 416 2HD LYS 416 -2.885 3.575 4.302 86 HD3 LYS 416 1HD LYS 416 -1.301 3.810 3.560 87 HE2 LYS 416 2HE LYS 416 -1.666 6.035 3.157 88 HE3 LYS 416 1HE LYS 416 -3.416 5.842 3.059 89 HZ1 LYS 416 3HZ LYS 416 -2.422 5.217 5.661 90 HZ2 LYS 416 1HZ LYS 416 -3.627 6.315 5.205 91 HZ3 LYS 416 2HZ LYS 416 -2.003 6.789 5.202 92 H TYR 417 H TYR 417 -2.176 0.640 0.708 93 HA TYR 417 HA TYR 417 -4.975 0.427 0.974 94 HB2 TYR 417 2HB TYR 417 -5.675 -0.863 -0.885 95 HB3 TYR 417 1HB TYR 417 -4.796 0.516 -1.534 96 HD1 TYR 417 1HD TYR 417 -2.556 0.205 -2.516 97 HD2 TYR 417 2HD TYR 417 -4.858 -3.101 -1.156 98 HE1 TYR 417 1HE TYR 417 -1.096 -1.323 -3.773 99 HE2 TYR 417 2HE TYR 417 -3.405 -4.637 -2.408 100 HH TYR 417 HH TYR 417 -1.855 -4.373 -4.548 101 H GLY 418 H GLY 418 -5.664 -1.296 2.001 102 HA2 GLY 418 2HA GLY 418 -5.714 -3.438 2.900 103 HA3 GLY 418 1HA GLY 418 -4.230 -3.792 2.047 104 H GLN 419 H GLN 419 -5.444 -1.977 4.879 105 HA GLN 419 HA GLN 419 -2.851 -1.993 6.112 106 HB2 GLN 419 2HB GLN 419 -4.464 -0.201 6.595 107 HB3 GLN 419 1HB GLN 419 -5.563 -1.378 7.303 108 HG2 GLN 419 2HG GLN 419 -4.608 -0.896 9.247 109 HG3 GLN 419 1HG GLN 419 -3.220 -1.813 8.672 110 HE21 GLN 419 1HE2 GLN 419 -4.609 1.440 8.355 111 HE22 GLN 419 2HE2 GLN 419 -3.106 2.280 8.496 112 H LYS 420 H LYS 420 -1.978 -3.753 6.920 113 HA LYS 420 HA LYS 420 -3.669 -5.656 8.401 114 HB2 LYS 420 2HB LYS 420 -3.062 -6.436 6.056 115 HB3 LYS 420 1HB LYS 420 -1.395 -6.501 6.605 116 HG2 LYS 420 2HG LYS 420 -1.769 -8.306 7.969 117 HG3 LYS 420 1HG LYS 420 -3.489 -7.953 8.145 118 HD2 LYS 420 2HD LYS 420 -3.565 -9.768 6.738 119 HD3 LYS 420 1HD LYS 420 -3.537 -8.446 5.570 120 HE2 LYS 420 2HE LYS 420 -1.376 -8.873 4.933 121 HE3 LYS 420 1HE LYS 420 -0.943 -9.583 6.488 122 HZ1 LYS 420 3HZ LYS 420 -1.048 -11.245 4.729 123 HZ2 LYS 420 1HZ LYS 420 -2.670 -10.861 4.436 124 HZ3 LYS 420 2HZ LYS 420 -2.217 -11.546 5.914 125 H VAL 421 H VAL 421 -2.512 -6.909 10.039 126 HA VAL 421 HA VAL 421 -0.037 -5.566 10.903 127 HB VAL 421 HB VAL 421 -1.915 -5.162 12.438 128 HG11 VAL 421 1HG1 VAL 421 -3.263 -7.105 12.076 129 HG12 VAL 421 2HG1 VAL 421 -2.790 -7.078 13.775 130 HG13 VAL 421 3HG1 VAL 421 -1.976 -8.167 12.650 131 HG21 VAL 421 3HG2 VAL 421 -0.811 -5.967 14.507 132 HG22 VAL 421 1HG2 VAL 421 0.307 -5.214 13.372 133 HG23 VAL 421 2HG2 VAL 421 0.246 -6.971 13.515 134 H VAL 422 H VAL 422 1.684 -6.808 11.561 135 HA VAL 422 HA VAL 422 1.381 -9.724 11.238 136 HB VAL 422 HB VAL 422 3.815 -9.692 10.498 137 HG11 VAL 422 1HG1 VAL 422 3.178 -8.972 8.152 138 HG12 VAL 422 2HG1 VAL 422 1.601 -8.546 8.816 139 HG13 VAL 422 3HG1 VAL 422 2.167 -10.214 8.892 140 HG21 VAL 422 3HG2 VAL 422 4.760 -7.690 9.660 141 HG22 VAL 422 1HG2 VAL 422 4.148 -7.308 11.269 142 HG23 VAL 422 2HG2 VAL 422 3.241 -6.811 9.842 143 H LYS 423 H LYS 423 2.518 -11.063 12.613 144 HA LYS 423 HA LYS 423 3.239 -9.924 15.157 145 HB2 LYS 423 2HB LYS 423 2.711 -12.627 14.071 146 HB3 LYS 423 1HB LYS 423 3.841 -12.547 15.416 147 HG2 LYS 423 2HG LYS 423 1.765 -12.900 16.414 148 HG3 LYS 423 1HG LYS 423 2.054 -11.168 16.608 149 HD2 LYS 423 2HD LYS 423 0.573 -10.640 14.819 150 HD3 LYS 423 1HD LYS 423 0.453 -12.335 14.338 151 HE2 LYS 423 2HE LYS 423 -0.871 -12.887 16.176 152 HE3 LYS 423 1HE LYS 423 -0.389 -11.447 17.073 153 HZ1 LYS 423 3HZ LYS 423 -1.558 -10.343 14.954 154 HZ2 LYS 423 1HZ LYS 423 -2.386 -10.718 16.382 155 HZ3 LYS 423 2HZ LYS 423 -2.456 -11.772 15.061 156 H GLY 424 H GLY 424 5.278 -11.231 16.189 157 HA2 GLY 424 2HA GLY 424 7.580 -11.406 16.227 158 HA3 GLY 424 1HA GLY 424 7.515 -11.646 14.484 159 H ASN 425 H ASN 425 5.907 -8.949 14.725 160 HA ASN 425 HA ASN 425 7.878 -6.980 15.300 161 HB2 ASN 425 2HB ASN 425 8.676 -7.673 13.078 162 HB3 ASN 425 1HB ASN 425 7.060 -7.454 12.416 163 HD21 ASN 425 1HD2 ASN 425 8.209 -6.046 10.913 164 HD22 ASN 425 2HD2 ASN 425 8.490 -4.403 11.365 165 HA PRO 426 HA PRO 426 3.085 -6.577 15.955 166 HB2 PRO 426 2HB PRO 426 4.592 -4.832 17.871 167 HB3 PRO 426 1HB PRO 426 3.076 -5.703 18.106 168 HG2 PRO 426 2HG PRO 426 5.499 -6.647 18.938 169 HG3 PRO 426 1HG PRO 426 4.128 -7.688 18.525 170 HD2 PRO 426 2HD PRO 426 6.656 -7.424 17.158 171 HD3 PRO 426 1HD PRO 426 5.312 -8.519 16.784 172 H TYR 427 H TYR 427 3.482 -5.519 13.704 173 HA TYR 427 HA TYR 427 2.885 -2.687 14.047 174 HB2 TYR 427 2HB TYR 427 5.315 -3.682 12.579 175 HB3 TYR 427 1HB TYR 427 4.561 -2.150 12.155 176 HD1 TYR 427 1HD TYR 427 6.052 -3.991 15.036 177 HD2 TYR 427 2HD TYR 427 5.118 -0.205 13.327 178 HE1 TYR 427 1HE TYR 427 7.329 -2.881 16.815 179 HE2 TYR 427 2HE TYR 427 6.391 0.916 15.109 180 HH TYR 427 HH TYR 427 8.431 -0.810 17.275 181 HA PRO 428 HA PRO 428 0.269 -3.614 10.602 182 HB2 PRO 428 2HB PRO 428 -0.638 -1.166 10.034 183 HB3 PRO 428 1HB PRO 428 -1.046 -1.962 11.560 184 HG2 PRO 428 2HG PRO 428 0.983 0.164 11.013 185 HG3 PRO 428 1HG PRO 428 -0.115 -0.010 12.392 186 HD2 PRO 428 2HD PRO 428 2.553 -0.754 12.387 187 HD3 PRO 428 1HD PRO 428 1.328 -1.379 13.505 188 H ARG 429 H ARG 429 0.808 -4.097 8.574 189 HA ARG 429 HA ARG 429 2.885 -2.602 7.203 190 HB2 ARG 429 2HB ARG 429 3.011 -5.024 7.153 191 HB3 ARG 429 1HB ARG 429 1.393 -5.130 6.479 192 HG2 ARG 429 2HG ARG 429 2.308 -3.818 4.494 193 HG3 ARG 429 1HG ARG 429 3.906 -4.179 5.149 194 HD2 ARG 429 2HD ARG 429 2.385 -6.581 5.134 195 HD3 ARG 429 1HD ARG 429 2.231 -5.820 3.551 196 HE ARG 429 HE ARG 429 4.885 -5.699 4.033 197 HH11 ARG 429 1HH1 ARG 429 2.564 -8.303 4.128 198 HH12 ARG 429 2HH1 ARG 429 3.719 -9.515 3.682 199 HH21 ARG 429 1HH2 ARG 429 6.406 -7.292 3.453 200 HH22 ARG 429 2HH2 ARG 429 5.899 -8.941 3.301 201 H SER 430 H SER 430 2.640 -1.798 5.060 202 HA SER 430 HA SER 430 -0.132 -1.215 4.253 203 HB2 SER 430 2HB SER 430 1.952 0.827 3.662 204 HB3 SER 430 1HB SER 430 0.246 1.039 4.052 205 HG SER 430 HG SER 430 0.728 0.680 6.214 206 H TYR 431 H TYR 431 -0.545 -1.443 2.076 207 HA TYR 431 HA TYR 431 1.742 -2.352 0.467 208 HB2 TYR 431 2HB TYR 431 -1.208 -2.875 0.063 209 HB3 TYR 431 1HB TYR 431 0.079 -3.468 -0.974 210 HD1 TYR 431 1HD TYR 431 -1.272 -3.668 2.483 211 HD2 TYR 431 2HD TYR 431 1.203 -5.463 -0.476 212 HE1 TYR 431 1HE TYR 431 -1.067 -5.683 3.883 213 HE2 TYR 431 2HE TYR 431 1.416 -7.477 0.913 214 HH TYR 431 HH TYR 431 -0.506 -8.345 3.208 215 H TYR 432 H TYR 432 2.560 -0.605 -0.541 216 HA TYR 432 HA TYR 432 0.751 1.260 -1.900 217 HB2 TYR 432 2HB TYR 432 3.619 1.350 -1.022 218 HB3 TYR 432 1HB TYR 432 3.087 2.399 -2.329 219 HD1 TYR 432 2HD TYR 432 1.256 4.062 -1.880 220 HD2 TYR 432 1HD TYR 432 3.172 1.880 1.228 221 HE1 TYR 432 2HE TYR 432 0.456 5.711 -0.236 222 HE2 TYR 432 1HE TYR 432 2.383 3.519 2.880 223 HH TYR 432 HH TYR 432 0.032 5.903 2.120 224 H LYS 433 H LYS 433 0.282 0.730 -3.982 225 HA LYS 433 HA LYS 433 2.408 -0.580 -5.549 226 HB2 LYS 433 2HB LYS 433 0.794 -1.777 -6.782 227 HB3 LYS 433 1HB LYS 433 0.293 -1.911 -5.103 228 HG2 LYS 433 2HG LYS 433 -1.411 -0.235 -5.435 229 HG3 LYS 433 1HG LYS 433 -0.860 0.036 -7.090 230 HD2 LYS 433 2HD LYS 433 -1.733 -1.947 -7.852 231 HD3 LYS 433 1HD LYS 433 -1.625 -2.723 -6.270 232 HE2 LYS 433 2HE LYS 433 -3.404 -0.835 -5.674 233 HE3 LYS 433 1HE LYS 433 -3.741 -0.978 -7.398 234 HZ1 LYS 433 3HZ LYS 433 -4.472 -2.719 -5.287 235 HZ2 LYS 433 1HZ LYS 433 -3.569 -3.560 -6.443 236 HZ3 LYS 433 2HZ LYS 433 -4.971 -2.735 -6.903 237 H CYS 434 H CYS 434 3.171 0.434 -7.279 238 HA CYS 434 HA CYS 434 2.202 3.046 -7.933 239 HB2 CYS 434 2HB CYS 434 4.546 2.798 -8.077 240 HB3 CYS 434 1HB CYS 434 4.416 1.306 -9.000 241 H THR 435 H THR 435 0.550 3.434 -9.224 242 HA THR 435 HA THR 435 -0.169 1.454 -11.259 243 HB THR 435 HB THR 435 -2.144 1.889 -10.125 244 HG1 THR 435 1HG THR 435 -3.316 3.472 -11.477 245 HG21 THR 435 3HG2 THR 435 -2.751 4.428 -9.664 246 HG22 THR 435 1HG2 THR 435 -0.996 4.599 -9.680 247 HG23 THR 435 2HG2 THR 435 -1.764 3.495 -8.537 248 H THR 436 H THR 436 -0.793 2.347 -13.440 249 HA THR 436 HA THR 436 -0.150 4.943 -14.228 250 HB THR 436 HB THR 436 1.898 3.319 -15.522 251 HG1 THR 436 1HG THR 436 2.463 4.051 -12.846 252 HG21 THR 436 3HG2 THR 436 2.761 5.692 -14.087 253 HG22 THR 436 1HG2 THR 436 1.375 5.990 -15.138 254 HG23 THR 436 2HG2 THR 436 2.859 5.306 -15.805 255 HA PRO 437 HA PRO 437 -2.616 3.423 -17.599 256 HB2 PRO 437 2HB PRO 437 -1.035 5.327 -19.259 257 HB3 PRO 437 1HB PRO 437 -2.786 5.165 -19.096 258 HG2 PRO 437 2HG PRO 437 -1.495 7.178 -17.925 259 HG3 PRO 437 1HG PRO 437 -2.846 6.366 -17.111 260 HD2 PRO 437 2HD PRO 437 0.090 6.113 -16.628 261 HD3 PRO 437 1HD PRO 437 -1.255 6.088 -15.467 262 H GLY 438 H GLY 438 -1.454 1.345 -17.532 263 HA2 GLY 438 2HA GLY 438 -0.733 -0.169 -19.292 264 HA3 GLY 438 1HA GLY 438 0.375 1.082 -19.831 265 H CYS 439 H CYS 439 0.435 1.082 -16.500 266 HA CYS 439 HA CYS 439 2.459 -1.025 -16.328 267 HB2 CYS 439 2HB CYS 439 4.066 0.544 -16.506 268 HB3 CYS 439 1HB CYS 439 2.960 1.855 -16.188 269 H GLY 440 H GLY 440 2.998 -1.692 -14.226 270 HA2 GLY 440 2HA GLY 440 1.480 -0.733 -11.958 271 HA3 GLY 440 1HA GLY 440 0.999 -2.328 -12.518 272 H VAL 441 H VAL 441 2.992 -0.674 -10.440 273 HA VAL 441 HA VAL 441 4.724 -3.032 -10.084 274 HB VAL 441 HB VAL 441 5.448 -0.113 -9.974 275 HG11 VAL 441 1HG1 VAL 441 6.220 -0.945 -7.856 276 HG12 VAL 441 2HG1 VAL 441 7.607 -0.779 -8.931 277 HG13 VAL 441 3HG1 VAL 441 6.919 -2.372 -8.623 278 HG21 VAL 441 3HG2 VAL 441 5.839 -1.209 -12.072 279 HG22 VAL 441 1HG2 VAL 441 6.680 -2.536 -11.269 280 HG23 VAL 441 2HG2 VAL 441 7.393 -0.924 -11.289 281 H ARG 442 H ARG 442 5.384 -3.426 -7.835 282 HA ARG 442 HA ARG 442 3.445 -2.278 -5.940 283 HB2 ARG 442 2HB ARG 442 4.307 -5.030 -6.476 284 HB3 ARG 442 1HB ARG 442 4.285 -4.606 -4.770 285 HG2 ARG 442 2HG ARG 442 1.893 -3.623 -5.561 286 HG3 ARG 442 1HG ARG 442 2.066 -5.001 -6.650 287 HD2 ARG 442 2HD ARG 442 2.865 -5.979 -4.184 288 HD3 ARG 442 1HD ARG 442 1.499 -4.936 -3.805 289 HE ARG 442 HE ARG 442 0.173 -6.261 -5.355 290 HH11 ARG 442 1HH1 ARG 442 3.212 -7.655 -4.319 291 HH12 ARG 442 2HH1 ARG 442 2.712 -9.280 -4.641 292 HH21 ARG 442 1HH2 ARG 442 -0.469 -8.401 -5.779 293 HH22 ARG 442 2HH2 ARG 442 0.629 -9.702 -5.466 294 H LYS 443 H LYS 443 4.106 -1.613 -3.965 295 HA LYS 443 HA LYS 443 6.955 -1.802 -3.280 296 HB2 LYS 443 2HB LYS 443 6.806 0.387 -4.200 297 HB3 LYS 443 1HB LYS 443 5.270 0.700 -3.408 298 HG2 LYS 443 2HG LYS 443 6.256 1.125 -1.368 299 HG3 LYS 443 1HG LYS 443 7.705 0.196 -1.756 300 HD2 LYS 443 2HD LYS 443 8.707 2.107 -2.297 301 HD3 LYS 443 1HD LYS 443 7.592 2.251 -3.656 302 HE2 LYS 443 2HE LYS 443 5.977 3.365 -2.097 303 HE3 LYS 443 1HE LYS 443 7.253 3.378 -0.882 304 HZ1 LYS 443 3HZ LYS 443 6.911 5.433 -2.381 305 HZ2 LYS 443 1HZ LYS 443 7.750 4.534 -3.545 306 HZ3 LYS 443 2HZ LYS 443 8.488 4.902 -2.067 307 H HIS 444 H HIS 444 7.328 -2.188 -1.132 308 HA HIS 444 HA HIS 444 4.933 -2.360 0.572 309 HB2 HIS 444 2HB HIS 444 7.351 -4.069 0.280 310 HB3 HIS 444 1HB HIS 444 6.644 -3.929 1.885 311 HD1 HIS 444 1HD HIS 444 6.322 -6.612 1.279 312 HD2 HIS 444 2HD HIS 444 3.817 -3.882 -0.600 313 HE1 HIS 444 1HE HIS 444 4.364 -7.954 0.452 314 HE2 HIS 444 2HE HIS 444 2.939 -6.303 -0.809 315 H VAL 445 H VAL 445 4.957 -1.593 2.646 316 HA VAL 445 HA VAL 445 7.350 -0.138 3.537 317 HB VAL 445 HB VAL 445 4.541 0.938 3.811 318 HG11 VAL 445 1HG1 VAL 445 6.319 1.552 5.515 319 HG12 VAL 445 2HG1 VAL 445 5.514 2.890 4.696 320 HG13 VAL 445 3HG1 VAL 445 7.136 2.401 4.203 321 HG21 VAL 445 3HG2 VAL 445 6.651 2.061 1.992 322 HG22 VAL 445 1HG2 VAL 445 4.920 2.405 2.023 323 HG23 VAL 445 2HG2 VAL 445 5.500 0.843 1.439 324 H GLU 446 H GLU 446 7.948 -0.832 5.501 325 HA GLU 446 HA GLU 446 5.871 -1.639 7.406 326 HB2 GLU 446 2HB GLU 446 8.254 -3.259 6.541 327 HB3 GLU 446 1HB GLU 446 7.463 -3.529 8.088 328 HG2 GLU 446 2HG GLU 446 5.957 -4.805 7.111 329 HG3 GLU 446 1HG GLU 446 5.466 -3.461 6.080 330 H ARG 447 H ARG 447 6.588 -1.714 9.619 331 HA ARG 447 HA ARG 447 8.695 0.258 10.148 332 HB2 ARG 447 2HB ARG 447 6.307 -0.679 11.725 333 HB3 ARG 447 1HB ARG 447 7.610 0.226 12.483 334 HG2 ARG 447 2HG ARG 447 6.015 1.836 11.960 335 HG3 ARG 447 1HG ARG 447 7.207 1.978 10.666 336 HD2 ARG 447 2HD ARG 447 5.787 0.573 9.231 337 HD3 ARG 447 1HD ARG 447 4.587 0.488 10.520 338 HE ARG 447 HE ARG 447 4.943 3.157 10.114 339 HH11 ARG 447 1HH1 ARG 447 4.092 0.464 8.065 340 HH12 ARG 447 2HH1 ARG 447 3.144 1.426 6.980 341 HH21 ARG 447 1HH2 ARG 447 3.701 4.426 8.684 342 HH22 ARG 447 2HH2 ARG 447 2.923 3.675 7.331 343 H ALA 448 H ALA 448 10.104 -0.124 12.030 344 HA ALA 448 HA ALA 448 10.921 -2.921 12.100 345 HB1 ALA 448 1HB ALA 448 12.507 -0.960 11.693 346 HB2 ALA 448 2HB ALA 448 13.012 -2.193 12.849 347 HB3 ALA 448 3HB ALA 448 12.370 -0.655 13.425 348 H ALA 449 H ALA 449 10.505 -4.231 13.717 349 HA ALA 449 HA ALA 449 8.770 -3.836 15.757 350 HB1 ALA 449 1HB ALA 449 9.284 -5.924 16.420 351 HB2 ALA 449 2HB ALA 449 11.013 -5.585 16.505 352 HB3 ALA 449 3HB ALA 449 10.259 -5.934 14.950 353 H THR 450 H THR 450 12.293 -3.453 16.031 354 HA THR 450 HA THR 450 12.025 -2.399 18.722 355 HB THR 450 HB THR 450 14.621 -2.003 18.221 356 HG1 THR 450 1HG THR 450 15.360 -3.623 16.789 357 HG21 THR 450 3HG2 THR 450 13.297 -4.643 18.840 358 HG22 THR 450 1HG2 THR 450 13.824 -3.417 19.993 359 HG23 THR 450 2HG2 THR 450 15.017 -4.320 19.061 360 H ASP 451 H ASP 451 12.458 -1.244 15.481 361 HA ASP 451 HA ASP 451 12.789 1.500 16.503 362 HB2 ASP 451 2HB ASP 451 14.375 0.183 14.691 363 HB3 ASP 451 1HB ASP 451 13.289 1.088 13.640 364 HA PRO 452 HA PRO 452 8.489 1.493 14.882 365 HB2 PRO 452 2HB PRO 452 7.689 3.581 16.446 366 HB3 PRO 452 1HB PRO 452 7.669 1.900 16.984 367 HG2 PRO 452 2HG PRO 452 9.687 4.039 17.526 368 HG3 PRO 452 1HG PRO 452 9.023 2.819 18.629 369 HD2 PRO 452 2HD PRO 452 11.460 2.565 17.489 370 HD3 PRO 452 1HD PRO 452 10.428 1.165 17.847 371 H LYS 453 H LYS 453 11.034 3.788 14.948 372 HA LYS 453 HA LYS 453 9.578 5.684 13.265 373 HB2 LYS 453 2HB LYS 453 11.450 7.185 13.607 374 HB3 LYS 453 1HB LYS 453 10.902 6.560 15.156 375 HG2 LYS 453 2HG LYS 453 12.751 5.024 15.249 376 HG3 LYS 453 1HG LYS 453 13.262 5.489 13.624 377 HD2 LYS 453 2HD LYS 453 13.545 7.829 14.492 378 HD3 LYS 453 1HD LYS 453 13.269 7.190 16.112 379 HE2 LYS 453 2HE LYS 453 15.466 6.342 14.227 380 HE3 LYS 453 1HE LYS 453 15.657 7.405 15.620 381 HZ1 LYS 453 3HZ LYS 453 16.026 5.596 16.820 382 HZ2 LYS 453 1HZ LYS 453 15.643 4.574 15.526 383 HZ3 LYS 453 2HZ LYS 453 14.423 5.120 16.562 384 H ALA 454 H ALA 454 11.795 3.090 13.012 385 HA ALA 454 HA ALA 454 12.911 3.970 10.481 386 HB1 ALA 454 1HB ALA 454 13.254 1.228 11.641 387 HB2 ALA 454 2HB ALA 454 14.129 2.610 12.302 388 HB3 ALA 454 3HB ALA 454 14.356 2.148 10.616 389 H VAL 455 H VAL 455 12.090 3.495 8.543 390 HA VAL 455 HA VAL 455 9.988 1.432 8.406 391 HB VAL 455 HB VAL 455 10.251 3.829 6.591 392 HG11 VAL 455 1HG1 VAL 455 7.955 1.917 6.998 393 HG12 VAL 455 2HG1 VAL 455 9.104 1.845 5.661 394 HG13 VAL 455 3HG1 VAL 455 8.038 3.241 5.835 395 HG21 VAL 455 3HG2 VAL 455 9.485 5.018 8.325 396 HG22 VAL 455 1HG2 VAL 455 9.096 3.573 9.259 397 HG23 VAL 455 2HG2 VAL 455 7.954 4.183 8.060 398 H VAL 456 H VAL 456 9.984 -0.010 6.721 399 HA VAL 456 HA VAL 456 12.470 -0.135 5.161 400 HB VAL 456 HB VAL 456 12.358 -2.430 5.150 401 HG11 VAL 456 1HG1 VAL 456 10.698 -2.448 7.569 402 HG12 VAL 456 2HG1 VAL 456 12.009 -1.269 7.583 403 HG13 VAL 456 3HG1 VAL 456 12.363 -2.977 7.327 404 HG21 VAL 456 3HG2 VAL 456 10.409 -3.045 4.117 405 HG22 VAL 456 1HG2 VAL 456 9.405 -2.053 5.176 406 HG23 VAL 456 2HG2 VAL 456 10.063 -3.581 5.761 407 H THR 457 H THR 457 12.426 -0.346 2.917 408 HA THR 457 HA THR 457 9.778 -0.196 1.651 409 HB THR 457 HB THR 457 11.928 1.366 0.350 410 HG1 THR 457 1HG THR 457 10.740 2.076 2.827 411 HG21 THR 457 3HG2 THR 457 9.501 1.080 -0.407 412 HG22 THR 457 1HG2 THR 457 10.140 2.725 -0.358 413 HG23 THR 457 2HG2 THR 457 9.083 2.149 0.933 414 H THR 458 H THR 458 9.531 -1.801 0.271 415 HA THR 458 HA THR 458 11.895 -2.804 -1.178 416 HB THR 458 HB THR 458 9.450 -4.483 -0.709 417 HG1 THR 458 1HG THR 458 11.598 -3.997 1.084 418 HG21 THR 458 3HG2 THR 458 10.940 -6.312 -1.068 419 HG22 THR 458 1HG2 THR 458 12.352 -5.259 -0.973 420 HG23 THR 458 2HG2 THR 458 11.248 -5.135 -2.343 421 H TYR 459 H TYR 459 11.812 -2.776 -3.351 422 HA TYR 459 HA TYR 459 9.289 -1.940 -4.599 423 HB2 TYR 459 2HB TYR 459 12.167 -1.677 -5.439 424 HB3 TYR 459 1HB TYR 459 10.846 -1.431 -6.577 425 HD1 TYR 459 1HD TYR 459 9.052 0.321 -5.901 426 HD2 TYR 459 2HD TYR 459 12.919 0.095 -4.138 427 HE1 TYR 459 1HE TYR 459 8.843 2.654 -5.156 428 HE2 TYR 459 2HE TYR 459 12.717 2.427 -3.383 429 HH TYR 459 HH TYR 459 10.335 4.530 -4.531 430 H GLU 460 H GLU 460 8.129 -3.459 -5.558 431 HA GLU 460 HA GLU 460 9.523 -5.787 -6.711 432 HB2 GLU 460 2HB GLU 460 6.646 -5.659 -5.797 433 HB3 GLU 460 1HB GLU 460 7.531 -7.089 -6.309 434 HG2 GLU 460 2HG GLU 460 8.658 -7.272 -4.338 435 HG3 GLU 460 1HG GLU 460 8.597 -5.539 -4.014 436 H GLY 461 H GLY 461 9.728 -5.486 -8.845 437 HA2 GLY 461 2HA GLY 461 8.706 -5.679 -10.996 438 HA3 GLY 461 1HA GLY 461 7.294 -4.849 -10.362 439 H LYS 462 H LYS 462 8.811 -4.284 -12.763 440 HA LYS 462 HA LYS 462 9.945 -1.647 -12.125 441 HB2 LYS 462 2HB LYS 462 10.702 -3.733 -13.959 442 HB3 LYS 462 1HB LYS 462 10.398 -2.245 -14.846 443 HG2 LYS 462 2HG LYS 462 12.659 -2.138 -14.339 444 HG3 LYS 462 1HG LYS 462 11.907 -1.128 -13.101 445 HD2 LYS 462 2HD LYS 462 11.867 -3.590 -11.918 446 HD3 LYS 462 1HD LYS 462 13.370 -3.654 -12.841 447 HE2 LYS 462 2HE LYS 462 14.094 -1.560 -11.802 448 HE3 LYS 462 1HE LYS 462 12.591 -1.498 -10.881 449 HZ1 LYS 462 3HZ LYS 462 14.231 -3.908 -10.650 450 HZ2 LYS 462 1HZ LYS 462 13.264 -3.143 -9.490 451 HZ3 LYS 462 2HZ LYS 462 14.784 -2.509 -9.876 452 H HIS 463 H HIS 463 9.535 0.070 -13.796 453 HA HIS 463 HA HIS 463 6.694 0.011 -14.540 454 HB2 HIS 463 2HB HIS 463 8.378 2.499 -14.476 455 HB3 HIS 463 1HB HIS 463 6.633 2.341 -14.297 456 HD2 HIS 463 2HD HIS 463 9.793 1.331 -12.125 457 HE1 HIS 463 1HE HIS 463 6.556 2.340 -9.573 458 HE2 HIS 463 2HE HIS 463 8.949 1.565 -9.692 459 H ASN 464 H ASN 464 6.018 0.351 -16.593 460 HA ASN 464 HA ASN 464 8.066 0.280 -18.668 461 HB2 ASN 464 2HB ASN 464 5.398 -0.776 -18.377 462 HB3 ASN 464 1HB ASN 464 5.509 0.181 -19.850 463 HD21 ASN 464 1HD2 ASN 464 5.251 -2.729 -19.385 464 HD22 ASN 464 2HD2 ASN 464 6.556 -3.446 -20.261 465 H HIS 465 H HIS 465 7.345 2.767 -17.125 466 HA HIS 465 HA HIS 465 6.972 4.481 -19.458 467 HB2 HIS 465 2HB HIS 465 5.370 5.899 -18.294 468 HB3 HIS 465 1HB HIS 465 4.761 4.253 -18.400 469 HD1 HIS 465 1HD HIS 465 5.788 6.853 -15.965 470 HD2 HIS 465 2HD HIS 465 4.661 2.861 -15.937 471 HE1 HIS 465 1HE HIS 465 5.304 6.312 -13.558 472 H ASP 466 H ASP 466 9.338 4.081 -18.602 473 HA ASP 466 HA ASP 466 11.168 4.777 -17.307 474 HB2 ASP 466 2HB ASP 466 10.500 6.288 -19.471 475 HB3 ASP 466 1HB ASP 466 10.619 7.522 -18.219 476 H LEU 467 H LEU 467 11.725 7.414 -16.417 477 HA LEU 467 HA LEU 467 10.282 7.364 -13.872 478 HB2 LEU 467 2HB LEU 467 12.965 7.874 -14.624 479 HB3 LEU 467 1HB LEU 467 12.328 9.369 -13.968 480 HG LEU 467 HG LEU 467 13.363 8.190 -12.179 481 HD11 LEU 467 1HD1 LEU 467 10.884 9.138 -12.008 482 HD12 LEU 467 2HD1 LEU 467 11.703 8.378 -10.643 483 HD13 LEU 467 3HD1 LEU 467 10.551 7.452 -11.607 484 HD21 LEU 467 3HD2 LEU 467 12.174 5.869 -13.494 485 HD22 LEU 467 1HD2 LEU 467 12.009 5.850 -11.738 486 HD23 LEU 467 2HD2 LEU 467 13.607 5.987 -12.469 487 HA PRO 468 HA PRO 468 7.790 10.735 -15.586 488 HB2 PRO 468 2HB PRO 468 6.600 10.658 -12.879 489 HB3 PRO 468 1HB PRO 468 5.820 10.513 -14.456 490 HG2 PRO 468 2HG PRO 468 6.114 8.394 -12.843 491 HG3 PRO 468 1HG PRO 468 6.237 8.247 -14.606 492 HD2 PRO 468 2HD PRO 468 8.409 8.317 -12.550 493 HD3 PRO 468 1HD PRO 468 8.285 7.336 -14.023 494 H ALA 469 H ALA 469 9.703 12.114 -15.518 495 HA ALA 469 HA ALA 469 10.300 13.518 -13.066 496 HB1 ALA 469 1HB ALA 469 11.956 12.885 -14.927 497 HB2 ALA 469 2HB ALA 469 12.094 14.484 -14.196 498 HB3 ALA 469 3HB ALA 469 11.326 14.300 -15.773 499 H5' DC 3 H5' DC 3 -5.746 13.322 -11.203 500 H5'' DC 3 H5" DC 3 -7.253 12.906 -10.364 501 H4' DC 3 H4' DC 3 -4.663 13.913 -9.238 502 H3' DC 3 H3' DC 3 -5.493 11.343 -9.400 503 H2' DC 3 H2' DC 3 -7.488 11.522 -8.091 504 H2'' DC 3 H2" DC 3 -6.327 11.128 -6.831 505 H1' DC 3 H1' DC 3 -6.045 13.419 -6.183 506 H41 DC 3 1H4 DC 3 -11.853 15.081 -4.303 507 H42 DC 3 2H4 DC 3 -12.598 14.248 -5.649 508 H5 DC 3 5H DC 3 -11.318 13.130 -7.375 509 H6 DC 3 6H DC 3 -9.072 12.587 -8.156 510 H5' DC 4 H5' DC 4 -2.330 11.526 -5.674 511 H5'' DC 4 H5" DC 4 -1.721 9.879 -5.407 512 H4' DC 4 H4' DC 4 -2.684 11.022 -3.398 513 H3' DC 4 H3' DC 4 -3.475 8.306 -4.291 514 H2' DC 4 H2' DC 4 -5.504 8.318 -3.145 515 H2'' DC 4 H2" DC 4 -4.756 9.066 -1.742 516 H1' DC 4 H1' DC 4 -5.356 11.194 -2.352 517 H41 DC 4 1H4 DC 4 -11.385 10.917 -4.231 518 H42 DC 4 2H4 DC 4 -10.959 10.079 -5.708 519 H5 DC 4 5H DC 4 -8.688 9.427 -6.239 520 H6 DC 4 6H DC 4 -6.373 9.453 -5.468 521 H5' DT 5 H5' DT 5 -3.105 10.305 -0.342 522 H5'' DT 5 H5" DT 5 -2.375 9.264 0.897 523 H4' DT 5 H4' DT 5 -4.120 10.849 1.719 524 H3' DT 5 H3' DT 5 -3.618 8.392 2.714 525 H2' DT 5 H2' DT 5 -5.262 7.156 1.486 526 H2'' DT 5 H2" DT 5 -6.196 7.588 2.913 527 H1' DT 5 H1' DT 5 -7.239 9.456 1.838 528 H3 DT 5 3H DT 5 -10.255 7.709 -0.969 529 H71 DT 5 1H7 DT 5 -6.351 6.633 -3.754 530 H72 DT 5 2H7 DT 5 -5.468 5.797 -2.455 531 H73 DT 5 3H7 DT 5 -7.009 5.135 -3.053 532 H6 DT 5 6H DT 5 -5.499 7.420 -0.733 533 H5' DT 6 H5' DT 6 -6.836 8.609 4.672 534 H5'' DT 6 H5" DT 6 -6.906 9.184 6.351 535 H4' DT 6 H4' DT 6 -7.389 7.147 7.187 536 H3' DT 6 H3' DT 6 -5.621 5.974 5.070 537 H2' DT 6 H2' DT 6 -6.877 3.947 5.097 538 H2'' DT 6 H2" DT 6 -7.568 4.282 6.677 539 H1' DT 6 H1' DT 6 -9.414 5.114 5.547 540 H3 DT 6 3H DT 6 -10.762 5.090 1.253 541 H71 DT 6 1H7 DT 6 -6.485 4.681 -0.320 542 H72 DT 6 2H7 DT 6 -5.475 5.228 1.041 543 H73 DT 6 3H7 DT 6 -5.921 3.511 0.895 544 H6 DT 6 6H DT 6 -6.493 4.967 3.379 545 H5' DT 7 H5' DT 7 -6.701 3.987 9.429 546 H5'' DT 7 H5" DT 7 -5.921 2.392 9.487 547 H4' DT 7 H4' DT 7 -8.589 2.826 9.617 548 H3' DT 7 H3' DT 7 -7.102 0.585 9.767 549 H2' DT 7 H2' DT 7 -6.841 0.156 7.426 550 H2'' DT 7 H2" DT 7 -8.307 -0.756 7.750 551 H1' DT 7 H1' DT 7 -9.739 0.990 6.953 552 H3 DT 7 3H DT 7 -9.410 1.146 2.514 553 H71 DT 7 1H7 DT 7 -4.582 2.478 4.302 554 H72 DT 7 2H7 DT 7 -4.937 2.160 2.588 555 H73 DT 7 3H7 DT 7 -4.505 0.816 3.670 556 H6 DT 7 6H DT 7 -6.197 1.572 6.011 557 H5' DG 8 H5' DG 8 -12.113 -0.639 9.985 558 H5'' DG 8 H5" DG 8 -11.839 -1.911 11.193 559 H4' DG 8 H4' DG 8 -13.627 -2.397 9.525 560 H3' DG 8 H3' DG 8 -12.033 -4.225 10.672 561 H2' DG 8 H2' DG 8 -10.293 -4.280 9.023 562 H2'' DG 8 H2" DG 8 -11.335 -5.568 8.432 563 H1' DG 8 H1' DG 8 -12.383 -4.165 6.805 564 H8 DG 8 8H DG 8 -8.950 -2.980 8.074 565 H1 DG 8 1H DG 8 -9.784 -2.783 1.718 566 H21 DG 8 1H2 DG 8 -11.849 -3.318 1.202 567 H22 DG 8 2H2 DG 8 -13.039 -3.725 2.418 568 H5' DA 9 H5' DA 9 -15.123 -5.476 7.417 569 H5'' DA 9 H5" DA 9 -16.047 -6.791 8.174 570 H4' DA 9 H4' DA 9 -16.238 -6.879 5.767 571 H3' DA 9 H3' DA 9 -15.801 -9.094 7.229 572 H2' DA 9 H2' DA 9 -13.414 -9.191 7.025 573 H2'' DA 9 H2" DA 9 -13.893 -10.189 5.661 574 H1' DA 9 H1' DA 9 -13.651 -8.401 4.087 575 H8 DA 9 8H DA 9 -11.687 -8.008 7.380 576 H61 DA 9 2H6 DA 9 -7.365 -6.950 5.419 577 H62 DA 9 1H6 DA 9 -6.827 -6.690 3.774 578 H2 DA 9 2H DA 9 -10.428 -7.170 1.144 579 H5' DC 10 H5' DC 10 -16.353 -9.396 2.410 580 H5'' DC 10 H5" DC 10 -17.594 -10.666 2.444 581 H4' DC 10 H4' DC 10 -16.542 -10.606 0.288 582 H3' DC 10 H3' DC 10 -16.945 -12.938 1.538 583 H2' DC 10 H2' DC 10 -14.831 -13.260 2.584 584 H2'' DC 10 H2" DC 10 -14.484 -14.001 1.030 585 H1' DC 10 H1' DC 10 -13.294 -12.145 0.227 586 H41 DC 10 1H4 DC 10 -8.937 -10.844 4.637 587 H42 DC 10 2H4 DC 10 -10.106 -11.026 5.924 588 H5 DC 10 5H DC 10 -12.437 -11.518 5.535 589 H6 DC 10 6H DC 10 -14.133 -11.922 3.829 590 H5' DC 11 H5' DC 11 -15.058 -13.497 -2.780 591 H5'' DC 11 H5" DC 11 -15.967 -14.785 -3.596 592 H4' DC 11 H4' DC 11 -13.704 -14.948 -4.274 593 H3' DC 11 H3' DC 11 -14.950 -17.145 -3.236 594 H2' DC 11 H2' DC 11 -13.944 -17.115 -1.068 595 H2'' DC 11 H2" DC 11 -12.757 -18.074 -1.941 596 H1' DC 11 H1' DC 11 -11.342 -16.171 -2.369 597 H41 DC 11 1H4 DC 11 -9.576 -14.546 3.495 598 H42 DC 11 2H4 DC 11 -11.207 -14.723 4.098 599 H5 DC 11 5H DC 11 -13.084 -15.310 2.690 600 H6 DC 11 6H DC 11 -13.783 -15.836 0.413 601 H5' DA 12 H5' DA 12 -10.677 -17.583 -5.046 602 H5'' DA 12 H5" DA 12 -10.912 -18.771 -6.344 603 H4' DA 12 H4' DA 12 -8.645 -18.896 -5.770 604 H3' DA 12 H3' DA 12 -10.024 -21.179 -5.670 605 H2' DA 12 H2' DA 12 -10.659 -21.124 -3.361 606 H2'' DA 12 H2" DA 12 -9.185 -22.075 -3.271 607 H1' DA 12 H1' DA 12 -7.856 -20.210 -2.585 608 H8 DA 12 8H DA 12 -11.646 -19.860 -2.019 609 H61 DA 12 2H6 DA 12 -11.467 -18.366 2.605 610 H62 DA 12 1H6 DA 12 -10.151 -17.957 3.682 611 H2 DA 12 2H DA 12 -6.357 -18.504 1.356 612 H5' DT 21 H5' DT 21 -2.890 -18.836 8.870 613 H5'' DT 21 H5" DT 21 -1.783 -17.516 9.295 614 H4' DT 21 H4' DT 21 -1.287 -18.290 7.090 615 H3' DT 21 H3' DT 21 -1.509 -15.665 7.570 616 H2' DT 21 H2' DT 21 -3.805 -15.355 6.970 617 H2'' DT 21 H2" DT 21 -3.032 -15.017 5.429 618 H1' DT 21 H1' DT 21 -3.472 -17.192 4.566 619 H3 DT 21 3H DT 21 -7.859 -17.552 3.813 620 H71 DT 21 1H7 DT 21 -9.014 -16.254 7.997 621 H72 DT 21 2H7 DT 21 -7.521 -15.508 8.612 622 H73 DT 21 3H7 DT 21 -7.853 -17.227 8.932 623 H6 DT 21 6H DT 21 -5.323 -16.467 7.684 624 H5' DG 22 H5' DG 22 -0.048 -16.199 2.627 625 H5'' DG 22 H5" DG 22 1.251 -15.015 2.879 626 H4' DG 22 H4' DG 22 0.485 -14.591 0.727 627 H3' DG 22 H3' DG 22 -0.423 -12.601 2.717 628 H2' DG 22 H2' DG 22 -2.062 -11.625 1.307 629 H2'' DG 22 H2" DG 22 -1.327 -12.255 -0.156 630 H1' DG 22 H1' DG 22 -2.977 -13.882 -0.002 631 H8 DG 22 8H DG 22 -2.228 -13.177 3.737 632 H1 DG 22 1H DG 22 -8.314 -14.550 2.252 633 H21 DG 22 1H2 DG 22 -8.500 -14.966 0.140 634 H22 DG 22 2H2 DG 22 -7.165 -14.930 -0.978 635 H5' DG 23 H5' DG 23 0.263 -11.183 -1.685 636 H5'' DG 23 H5" DG 23 0.189 -9.409 -1.712 637 H4' DG 23 H4' DG 23 -1.615 -11.005 -2.881 638 H3' DG 23 H3' DG 23 -1.469 -8.290 -2.540 639 H2' DG 23 H2' DG 23 -2.784 -8.085 -0.567 640 H2'' DG 23 H2" DG 23 -4.079 -8.083 -1.757 641 H1' DG 23 H1' DG 23 -4.545 -10.404 -1.480 642 H8 DG 23 8H DG 23 -2.279 -9.645 1.560 643 H1 DG 23 1H DG 23 -8.442 -10.811 2.889 644 H21 DG 23 1H2 DG 23 -9.565 -11.115 1.079 645 H22 DG 23 2H2 DG 23 -8.889 -11.050 -0.522 646 H5' DT 24 H5' DT 24 -5.476 -8.627 -5.367 647 H5'' DT 24 H5" DT 24 -5.118 -7.310 -6.503 648 H4' DT 24 H4' DT 24 -7.307 -6.957 -5.683 649 H3' DT 24 H3' DT 24 -5.271 -5.050 -4.615 650 H2' DT 24 H2' DT 24 -6.779 -4.153 -3.041 651 H2'' DT 24 H2" DT 24 -8.181 -4.531 -4.033 652 H1' DT 24 H1' DT 24 -8.533 -6.453 -2.861 653 H3 DT 24 3H DT 24 -7.822 -6.689 1.520 654 H71 DT 24 1H7 DT 24 -3.230 -6.316 0.971 655 H72 DT 24 2H7 DT 24 -3.449 -4.652 0.381 656 H73 DT 24 3H7 DT 24 -3.018 -5.949 -0.758 657 H6 DT 24 6H DT 24 -4.948 -5.781 -2.175 658 H5' DC 25 H5' DC 25 -9.371 -5.083 -6.461 659 H5'' DC 25 H5" DC 25 -9.598 -3.662 -7.502 660 H4' DC 25 H4' DC 25 -11.689 -4.654 -6.548 661 H3' DC 25 H3' DC 25 -11.334 -2.083 -7.150 662 H2' DC 25 H2' DC 25 -10.455 -1.286 -5.076 663 H2'' DC 25 H2" DC 25 -12.170 -1.015 -4.799 664 H1' DC 25 H1' DC 25 -12.417 -2.951 -3.465 665 H41 DC 25 1H4 DC 25 -8.075 -2.274 1.099 666 H42 DC 25 2H4 DC 25 -6.846 -1.862 -0.079 667 H5 DC 25 5H DC 25 -7.226 -1.789 -2.441 668 H6 DC 25 6H DC 25 -8.867 -2.151 -4.206 669 H5' DA 26 H5' DA 26 -15.201 -2.677 -4.224 670 H5'' DA 26 H5" DA 26 -16.421 -1.941 -5.283 671 H4' DA 26 H4' DA 26 -17.005 -1.509 -3.010 672 H3' DA 26 H3' DA 26 -16.975 0.509 -4.797 673 H2' DA 26 H2' DA 26 -14.809 1.401 -4.310 674 H2'' DA 26 H2" DA 26 -15.794 2.348 -3.204 675 H1' DA 26 H1' DA 26 -15.295 0.943 -1.332 676 H8 DA 26 8H DA 26 -12.770 0.932 -4.240 677 H61 DA 26 2H6 DA 26 -8.735 1.395 -1.575 678 H62 DA 26 1H6 DA 26 -8.429 1.397 0.148 679 H2 DA 26 2H DA 26 -12.396 0.846 2.167 680 H5' DA 27 H5' DA 27 -19.223 1.938 -0.289 681 H5'' DA 27 H5" DA 27 -20.438 2.825 -1.233 682 H4' DA 27 H4' DA 27 -19.910 3.817 0.983 683 H3' DA 27 H3' DA 27 -20.565 5.213 -1.208 684 H2' DA 27 H2' DA 27 -18.371 5.632 -2.071 685 H2'' DA 27 H2" DA 27 -18.590 7.061 -1.069 686 H1' DA 27 H1' DA 27 -17.323 6.168 0.739 687 H8 DA 27 8H DA 27 -16.651 4.975 -2.811 688 H61 DA 27 2H6 DA 27 -11.819 4.556 -2.498 689 H62 DA 27 1H6 DA 27 -10.690 4.662 -1.167 690 H2 DA 27 2H DA 27 -13.108 5.499 2.517 691 H5' DA 28 H5' DA 28 -18.770 7.550 2.648 692 H5'' DA 28 H5" DA 28 -20.199 8.574 2.898 693 H4' DA 28 H4' DA 28 -18.491 9.786 3.872 694 H3' DA 28 H3' DA 28 -19.707 11.033 1.837 695 H2' DA 28 H2' DA 28 -18.208 10.456 0.069 696 H2'' DA 28 H2" DA 28 -17.489 11.970 0.599 697 H1' DA 28 H1' DA 28 -15.802 10.891 1.883 698 H8 DA 28 8H DA 28 -17.470 8.746 -0.841 699 H61 DA 28 2H6 DA 28 -13.410 6.901 -2.780 700 H62 DA 28 1H6 DA 28 -11.719 7.005 -2.346 701 H2 DA 28 2H DA 28 -11.487 9.538 1.349 702 H5' DG 29 H5' DG 29 -17.031 14.299 4.677 703 H5'' DG 29 H5" DG 29 -17.066 15.867 3.844 704 H4' DG 29 H4' DG 29 -14.861 14.738 4.910 705 H3' DG 29 H3' DG 29 -15.297 17.066 3.552 706 H2' DG 29 H2' DG 29 -14.892 16.263 1.339 707 H2'' DG 29 H2" DG 29 -13.255 16.703 1.802 708 H1' DG 29 H1' DG 29 -12.691 14.459 2.454 709 H8 DG 29 8H DG 29 -15.910 14.043 0.332 710 H1 DG 29 1H DG 29 -10.494 11.793 -2.268 711 H21 DG 29 1H2 DG 29 -8.787 12.198 -0.950 712 H22 DG 29 2H2 DG 29 -8.965 13.025 0.580 713 H5' DG 30 H5' DG 30 -10.449 17.124 5.163 714 H5'' DG 30 H5" DG 30 -10.682 18.689 5.968 715 H4' DG 30 H4' DG 30 -8.490 18.572 4.973 716 H3' DG 30 H3' DG 30 -10.013 20.761 4.716 717 H2' DG 30 H2' DG 30 -11.049 20.268 2.618 718 H2'' DG 30 H2" DG 30 -9.643 21.169 2.067 719 H1' DG 30 H1' DG 30 -8.415 19.205 1.518 720 H8 DG 30 8H DG 30 -12.231 18.884 1.700 721 H1 DG 30 1H DG 30 -9.438 15.757 -3.153 722 H21 DG 30 1H2 DG 30 -7.254 15.833 -2.956 723 H22 DG 30 2H2 DG 30 -6.465 16.654 -1.630 Start of MODEL 8 1 H LEU 407 H LEU 407 9.252 9.031 2.657 2 HA LEU 407 HA LEU 407 8.594 7.317 1.297 3 HB2 LEU 407 2HB LEU 407 7.844 6.175 3.786 4 HB3 LEU 407 1HB LEU 407 6.415 6.180 2.772 5 HG LEU 407 HG LEU 407 7.556 4.076 2.525 6 HD11 LEU 407 2HD1 LEU 407 8.357 4.532 -0.013 7 HD12 LEU 407 3HD1 LEU 407 7.372 5.965 0.281 8 HD13 LEU 407 1HD1 LEU 407 6.671 4.360 0.478 9 HD21 LEU 407 1HD2 LEU 407 9.791 3.790 2.168 10 HD22 LEU 407 2HD2 LEU 407 9.831 5.293 3.092 11 HD23 LEU 407 3HD2 LEU 407 9.969 5.334 1.334 12 H LEU 408 H LEU 408 7.843 10.000 1.625 13 HA LEU 408 HA LEU 408 4.943 10.033 1.218 14 HB2 LEU 408 2HB LEU 408 6.679 12.474 1.245 15 HB3 LEU 408 1HB LEU 408 4.983 12.324 1.662 16 HG LEU 408 HG LEU 408 6.519 10.720 3.471 17 HD11 LEU 408 1HD1 LEU 408 8.329 12.334 2.769 18 HD12 LEU 408 2HD1 LEU 408 7.957 12.292 4.493 19 HD13 LEU 408 3HD1 LEU 408 7.347 13.609 3.491 20 HD21 LEU 408 3HD2 LEU 408 4.803 13.179 3.722 21 HD22 LEU 408 1HD2 LEU 408 5.513 12.356 5.111 22 HD23 LEU 408 2HD2 LEU 408 4.370 11.505 4.071 23 H ASP 409 H ASP 409 7.927 10.298 -0.502 24 HA ASP 409 HA ASP 409 6.706 10.117 -3.023 25 HB2 ASP 409 2HB ASP 409 6.073 12.461 -2.577 26 HB3 ASP 409 1HB ASP 409 7.772 12.873 -2.363 27 H ASP 410 H ASP 410 8.148 9.148 -4.281 28 HA ASP 410 HA ASP 410 11.009 9.655 -3.786 29 HB2 ASP 410 2HB ASP 410 11.434 7.310 -4.441 30 HB3 ASP 410 1HB ASP 410 10.411 7.424 -3.013 31 H GLY 411 H GLY 411 8.834 10.596 -5.810 32 HA2 GLY 411 2HA GLY 411 9.615 11.639 -7.877 33 HA3 GLY 411 1HA GLY 411 10.536 10.175 -8.188 34 H TYR 412 H TYR 412 8.004 8.730 -7.096 35 HA TYR 412 HA TYR 412 6.428 8.948 -9.575 36 HB2 TYR 412 2HB TYR 412 7.123 6.420 -8.065 37 HB3 TYR 412 1HB TYR 412 6.049 6.508 -9.458 38 HD1 TYR 412 1HD TYR 412 7.633 8.449 -11.129 39 HD2 TYR 412 2HD TYR 412 8.835 5.034 -8.895 40 HE1 TYR 412 1HE TYR 412 9.555 8.149 -12.633 41 HE2 TYR 412 2HE TYR 412 10.759 4.725 -10.393 42 HH TYR 412 HH TYR 412 12.158 6.231 -11.932 43 H ARG 413 H ARG 413 4.186 8.430 -9.397 44 HA ARG 413 HA ARG 413 3.064 9.236 -6.865 45 HB2 ARG 413 2HB ARG 413 0.902 9.131 -8.046 46 HB3 ARG 413 1HB ARG 413 2.084 10.095 -8.920 47 HG2 ARG 413 2HG ARG 413 2.519 8.170 -10.397 48 HG3 ARG 413 1HG ARG 413 1.266 7.266 -9.545 49 HD2 ARG 413 2HD ARG 413 0.561 8.353 -11.707 50 HD3 ARG 413 1HD ARG 413 -0.431 8.725 -10.303 51 HE ARG 413 HE ARG 413 1.549 10.541 -11.508 52 HH11 ARG 413 1HH1 ARG 413 -1.323 10.018 -9.577 53 HH12 ARG 413 2HH1 ARG 413 -1.678 11.705 -9.438 54 HH21 ARG 413 1HH2 ARG 413 1.071 12.754 -11.317 55 HH22 ARG 413 2HH2 ARG 413 -0.324 13.256 -10.421 56 H TRP 414 H TRP 414 2.370 7.931 -5.308 57 HA TRP 414 HA TRP 414 1.827 5.113 -5.983 58 HB2 TRP 414 2HB TRP 414 3.069 6.132 -3.419 59 HB3 TRP 414 1HB TRP 414 2.752 4.448 -3.828 60 HD1 TRP 414 HD TRP 414 5.095 7.352 -4.734 61 HE1 TRP 414 1HE TRP 414 7.190 6.387 -5.874 62 HE3 TRP 414 3HE TRP 414 3.624 2.471 -5.125 63 HZ2 TRP 414 2HZ TRP 414 8.098 3.880 -6.814 64 HZ3 TRP 414 3HZ TRP 414 5.164 0.853 -6.156 65 HH2 TRP 414 HH TRP 414 7.355 1.545 -6.982 66 H ARG 415 H ARG 415 0.063 4.154 -5.058 67 HA ARG 415 HA ARG 415 -1.710 5.947 -3.539 68 HB2 ARG 415 2HB ARG 415 -2.630 5.316 -5.700 69 HB3 ARG 415 1HB ARG 415 -2.388 3.613 -5.339 70 HG2 ARG 415 2HG ARG 415 -3.933 4.654 -3.235 71 HG3 ARG 415 1HG ARG 415 -4.616 5.302 -4.726 72 HD2 ARG 415 2HD ARG 415 -4.953 3.130 -5.619 73 HD3 ARG 415 1HD ARG 415 -3.982 2.384 -4.349 74 HE ARG 415 HE ARG 415 -5.807 2.435 -2.960 75 HH11 ARG 415 1HH1 ARG 415 -6.428 4.454 -5.739 76 HH12 ARG 415 2HH1 ARG 415 -8.100 4.686 -5.352 77 HH21 ARG 415 1HH2 ARG 415 -8.005 2.740 -2.450 78 HH22 ARG 415 2HH2 ARG 415 -8.996 3.714 -3.485 79 H LYS 416 H LYS 416 -1.940 5.489 -1.473 80 HA LYS 416 HA LYS 416 -0.923 3.161 -0.243 81 HB2 LYS 416 2HB LYS 416 -1.175 5.341 0.904 82 HB3 LYS 416 1HB LYS 416 -2.920 5.165 0.834 83 HG2 LYS 416 2HG LYS 416 -2.419 2.920 2.105 84 HG3 LYS 416 1HG LYS 416 -0.937 3.768 2.552 85 HD2 LYS 416 2HD LYS 416 -2.862 5.671 2.985 86 HD3 LYS 416 1HD LYS 416 -3.689 4.182 3.450 87 HE2 LYS 416 2HE LYS 416 -1.740 3.631 4.898 88 HE3 LYS 416 1HE LYS 416 -1.061 5.212 4.513 89 HZ1 LYS 416 3HZ LYS 416 -2.177 5.866 6.320 90 HZ2 LYS 416 1HZ LYS 416 -3.198 4.518 6.322 91 HZ3 LYS 416 2HZ LYS 416 -3.546 5.841 5.328 92 H TYR 417 H TYR 417 -1.861 1.251 0.294 93 HA TYR 417 HA TYR 417 -4.728 0.991 0.320 94 HB2 TYR 417 2HB TYR 417 -5.121 -0.233 -1.560 95 HB3 TYR 417 1HB TYR 417 -3.787 0.753 -2.141 96 HD1 TYR 417 2HD TYR 417 -4.616 -2.590 -0.745 97 HD2 TYR 417 1HD TYR 417 -1.824 -0.253 -2.944 98 HE1 TYR 417 2HE TYR 417 -3.380 -4.633 -1.336 99 HE2 TYR 417 1HE TYR 417 -0.584 -2.287 -3.540 100 HH TYR 417 HH TYR 417 -0.488 -4.849 -2.191 101 H GLY 418 H GLY 418 -5.392 -0.421 1.692 102 HA2 GLY 418 2HA GLY 418 -5.501 -2.313 3.013 103 HA3 GLY 418 1HA GLY 418 -4.049 -2.903 2.226 104 H GLN 419 H GLN 419 -4.115 -3.522 4.691 105 HA GLN 419 HA GLN 419 -1.926 -2.167 5.896 106 HB2 GLN 419 2HB GLN 419 -4.428 -1.081 6.508 107 HB3 GLN 419 1HB GLN 419 -4.056 -2.113 7.881 108 HG2 GLN 419 2HG GLN 419 -1.777 -0.517 7.095 109 HG3 GLN 419 1HG GLN 419 -3.185 0.479 7.459 110 HE21 GLN 419 1HE2 GLN 419 -3.463 1.014 9.497 111 HE22 GLN 419 2HE2 GLN 419 -2.806 0.192 10.867 112 H LYS 420 H LYS 420 -1.048 -3.421 7.655 113 HA LYS 420 HA LYS 420 -2.427 -5.666 8.716 114 HB2 LYS 420 2HB LYS 420 -1.455 -6.079 6.162 115 HB3 LYS 420 1HB LYS 420 -0.193 -6.756 7.179 116 HG2 LYS 420 2HG LYS 420 -1.445 -8.504 7.784 117 HG3 LYS 420 1HG LYS 420 -2.905 -7.528 7.955 118 HD2 LYS 420 2HD LYS 420 -3.275 -9.079 6.177 119 HD3 LYS 420 1HD LYS 420 -3.064 -7.481 5.458 120 HE2 LYS 420 2HE LYS 420 -1.343 -8.201 4.252 121 HE3 LYS 420 1HE LYS 420 -0.518 -8.774 5.700 122 HZ1 LYS 420 3HZ LYS 420 -1.747 -10.281 3.670 123 HZ2 LYS 420 1HZ LYS 420 -2.556 -10.586 5.124 124 HZ3 LYS 420 2HZ LYS 420 -0.886 -10.833 5.015 125 H VAL 421 H VAL 421 -1.380 -6.527 10.463 126 HA VAL 421 HA VAL 421 1.218 -5.321 11.134 127 HB VAL 421 HB VAL 421 -0.570 -4.842 12.742 128 HG11 VAL 421 1HG1 VAL 421 -0.781 -7.494 13.889 129 HG12 VAL 421 2HG1 VAL 421 -1.387 -7.440 12.234 130 HG13 VAL 421 3HG1 VAL 421 -2.047 -6.347 13.450 131 HG21 VAL 421 3HG2 VAL 421 1.589 -6.696 13.733 132 HG22 VAL 421 1HG2 VAL 421 0.570 -5.715 14.785 133 HG23 VAL 421 2HG2 VAL 421 1.649 -4.936 13.627 134 H VAL 422 H VAL 422 2.936 -6.619 11.815 135 HA VAL 422 HA VAL 422 2.521 -9.520 11.539 136 HB VAL 422 HB VAL 422 4.895 -9.578 10.597 137 HG11 VAL 422 1HG1 VAL 422 4.062 -9.007 8.290 138 HG12 VAL 422 2HG1 VAL 422 2.569 -8.456 9.050 139 HG13 VAL 422 3HG1 VAL 422 3.062 -10.142 9.198 140 HG21 VAL 422 3HG2 VAL 422 5.640 -7.571 9.426 141 HG22 VAL 422 1HG2 VAL 422 5.500 -7.274 11.159 142 HG23 VAL 422 2HG2 VAL 422 4.257 -6.678 10.059 143 H LYS 423 H LYS 423 3.770 -10.870 12.768 144 HA LYS 423 HA LYS 423 4.730 -9.781 15.257 145 HB2 LYS 423 2HB LYS 423 4.083 -12.459 14.183 146 HB3 LYS 423 1HB LYS 423 5.351 -12.416 15.399 147 HG2 LYS 423 2HG LYS 423 3.028 -10.828 16.136 148 HG3 LYS 423 1HG LYS 423 2.648 -12.531 15.875 149 HD2 LYS 423 2HD LYS 423 4.352 -13.192 17.461 150 HD3 LYS 423 1HD LYS 423 4.865 -11.514 17.654 151 HE2 LYS 423 2HE LYS 423 3.303 -11.153 19.197 152 HE3 LYS 423 1HE LYS 423 2.037 -11.764 18.131 153 HZ1 LYS 423 3HZ LYS 423 3.744 -13.339 19.978 154 HZ2 LYS 423 1HZ LYS 423 2.717 -14.037 18.827 155 HZ3 LYS 423 2HZ LYS 423 2.074 -13.099 20.080 156 H GLY 424 H GLY 424 6.858 -11.044 16.091 157 HA2 GLY 424 2HA GLY 424 9.151 -11.240 15.907 158 HA3 GLY 424 1HA GLY 424 8.921 -11.470 14.179 159 H ASN 425 H ASN 425 7.380 -8.798 14.362 160 HA ASN 425 HA ASN 425 9.401 -6.821 14.834 161 HB2 ASN 425 2HB ASN 425 9.923 -7.732 12.534 162 HB3 ASN 425 1HB ASN 425 8.328 -7.191 12.023 163 HD21 ASN 425 1HD2 ASN 425 7.917 -4.990 11.835 164 HD22 ASN 425 2HD2 ASN 425 9.191 -3.824 11.757 165 HA PRO 426 HA PRO 426 4.660 -6.350 15.786 166 HB2 PRO 426 2HB PRO 426 6.307 -4.597 17.575 167 HB3 PRO 426 1HB PRO 426 4.804 -5.450 17.921 168 HG2 PRO 426 2HG PRO 426 7.273 -6.402 18.600 169 HG3 PRO 426 1HG PRO 426 5.867 -7.436 18.305 170 HD2 PRO 426 2HD PRO 426 8.292 -7.228 16.761 171 HD3 PRO 426 1HD PRO 426 6.910 -8.309 16.498 172 H TYR 427 H TYR 427 4.900 -5.326 13.503 173 HA TYR 427 HA TYR 427 4.363 -2.489 13.848 174 HB2 TYR 427 2HB TYR 427 6.709 -3.515 12.274 175 HB3 TYR 427 1HB TYR 427 5.937 -1.992 11.852 176 HD1 TYR 427 2HD TYR 427 7.596 -3.773 14.679 177 HD2 TYR 427 1HD TYR 427 6.522 -0.023 12.972 178 HE1 TYR 427 2HE TYR 427 8.947 -2.620 16.375 179 HE2 TYR 427 1HE TYR 427 7.874 1.139 14.664 180 HH TYR 427 HH TYR 427 10.066 -0.509 16.719 181 HA PRO 428 HA PRO 428 1.559 -3.477 10.561 182 HB2 PRO 428 2HB PRO 428 0.531 -1.054 10.119 183 HB3 PRO 428 1HB PRO 428 0.248 -1.898 11.647 184 HG2 PRO 428 2HG PRO 428 2.162 0.312 11.031 185 HG3 PRO 428 1HG PRO 428 1.157 0.068 12.470 186 HD2 PRO 428 2HD PRO 428 3.844 -0.581 12.281 187 HD3 PRO 428 1HD PRO 428 2.712 -1.272 13.459 188 H ARG 429 H ARG 429 1.828 -3.772 8.433 189 HA ARG 429 HA ARG 429 3.783 -2.103 7.028 190 HB2 ARG 429 2HB ARG 429 3.298 -4.041 5.243 191 HB3 ARG 429 1HB ARG 429 4.479 -4.211 6.533 192 HG2 ARG 429 2HG ARG 429 3.063 -5.572 7.806 193 HG3 ARG 429 1HG ARG 429 1.638 -5.111 6.872 194 HD2 ARG 429 2HD ARG 429 2.502 -7.399 6.380 195 HD3 ARG 429 1HD ARG 429 2.399 -6.342 4.973 196 HE ARG 429 HE ARG 429 4.945 -6.002 5.766 197 HH11 ARG 429 1HH1 ARG 429 3.039 -8.868 5.179 198 HH12 ARG 429 2HH1 ARG 429 4.400 -9.824 4.693 199 HH21 ARG 429 1HH2 ARG 429 6.734 -7.258 5.126 200 HH22 ARG 429 2HH2 ARG 429 6.495 -8.911 4.663 201 H SER 430 H SER 430 3.321 -1.644 4.703 202 HA SER 430 HA SER 430 0.459 -1.231 4.174 203 HB2 SER 430 2HB SER 430 2.512 0.904 3.593 204 HB3 SER 430 1HB SER 430 0.755 1.046 3.565 205 HG SER 430 HG SER 430 0.932 0.506 5.902 206 H TYR 431 H TYR 431 -0.120 -1.176 1.958 207 HA TYR 431 HA TYR 431 1.994 -2.213 0.189 208 HB2 TYR 431 2HB TYR 431 -1.004 -2.566 0.000 209 HB3 TYR 431 1HB TYR 431 0.171 -3.225 -1.130 210 HD1 TYR 431 1HD TYR 431 -0.685 -3.281 2.512 211 HD2 TYR 431 2HD TYR 431 0.955 -5.379 -0.811 212 HE1 TYR 431 1HE TYR 431 -0.495 -5.314 3.895 213 HE2 TYR 431 2HE TYR 431 1.149 -7.410 0.561 214 HH TYR 431 HH TYR 431 0.992 -8.270 2.629 215 H TYR 432 H TYR 432 2.821 -0.418 -0.800 216 HA TYR 432 HA TYR 432 0.968 1.531 -1.956 217 HB2 TYR 432 2HB TYR 432 3.902 1.551 -1.316 218 HB3 TYR 432 1HB TYR 432 3.243 2.703 -2.471 219 HD1 TYR 432 2HD TYR 432 1.299 4.186 -1.665 220 HD2 TYR 432 1HD TYR 432 3.829 2.003 0.968 221 HE1 TYR 432 2HE TYR 432 0.650 5.674 0.181 222 HE2 TYR 432 1HE TYR 432 3.185 3.483 2.824 223 HH TYR 432 HH TYR 432 1.430 6.396 2.329 224 H LYS 433 H LYS 433 0.470 1.481 -4.043 225 HA LYS 433 HA LYS 433 2.253 -0.023 -5.849 226 HB2 LYS 433 2HB LYS 433 -0.675 -0.015 -5.507 227 HB3 LYS 433 1HB LYS 433 -0.113 -0.009 -7.173 228 HG2 LYS 433 2HG LYS 433 1.212 -2.006 -6.740 229 HG3 LYS 433 1HG LYS 433 0.665 -2.007 -5.062 230 HD2 LYS 433 2HD LYS 433 -1.715 -1.960 -6.251 231 HD3 LYS 433 1HD LYS 433 -0.795 -2.726 -7.548 232 HE2 LYS 433 2HE LYS 433 -0.442 -4.628 -6.359 233 HE3 LYS 433 1HE LYS 433 -0.394 -3.783 -4.812 234 HZ1 LYS 433 3HZ LYS 433 -2.761 -3.621 -4.809 235 HZ2 LYS 433 1HZ LYS 433 -2.357 -5.238 -5.104 236 HZ3 LYS 433 2HZ LYS 433 -2.874 -4.249 -6.375 237 H CYS 434 H CYS 434 3.315 1.213 -7.236 238 HA CYS 434 HA CYS 434 2.595 3.913 -7.779 239 HB2 CYS 434 2HB CYS 434 4.908 3.449 -7.889 240 HB3 CYS 434 1HB CYS 434 4.665 2.024 -8.890 241 H THR 435 H THR 435 1.276 4.685 -9.299 242 HA THR 435 HA THR 435 0.286 2.810 -11.336 243 HB THR 435 HB THR 435 -1.650 3.408 -10.258 244 HG1 THR 435 1HG THR 435 -2.591 5.234 -11.492 245 HG21 THR 435 3HG2 THR 435 -0.220 5.943 -9.607 246 HG22 THR 435 1HG2 THR 435 -1.079 4.828 -8.542 247 HG23 THR 435 2HG2 THR 435 -1.983 5.932 -9.580 248 H THR 436 H THR 436 -0.354 3.807 -13.425 249 HA THR 436 HA THR 436 0.580 6.314 -14.259 250 HB THR 436 HB THR 436 2.198 4.514 -15.841 251 HG1 THR 436 1HG THR 436 2.348 3.347 -13.845 252 HG21 THR 436 3HG2 THR 436 3.480 6.515 -14.090 253 HG22 THR 436 1HG2 THR 436 2.242 7.132 -15.183 254 HG23 THR 436 2HG2 THR 436 3.634 6.266 -15.829 255 HA PRO 437 HA PRO 437 -2.129 5.449 -17.614 256 HB2 PRO 437 2HB PRO 437 -0.028 5.751 -19.692 257 HB3 PRO 437 1HB PRO 437 -1.560 6.600 -19.500 258 HG2 PRO 437 2HG PRO 437 0.808 7.754 -18.916 259 HG3 PRO 437 1HG PRO 437 -0.689 8.149 -18.056 260 HD2 PRO 437 2HD PRO 437 1.636 6.528 -17.165 261 HD3 PRO 437 1HD PRO 437 0.515 7.517 -16.212 262 H GLY 438 H GLY 438 1.039 4.035 -18.423 263 HA2 GLY 438 2HA GLY 438 -0.367 1.477 -18.893 264 HA3 GLY 438 1HA GLY 438 0.966 2.018 -19.899 265 H CYS 439 H CYS 439 0.883 2.362 -16.391 266 HA CYS 439 HA CYS 439 2.711 0.101 -16.125 267 HB2 CYS 439 2HB CYS 439 4.334 1.735 -16.429 268 HB3 CYS 439 1HB CYS 439 3.413 2.958 -15.572 269 H GLY 440 H GLY 440 2.911 -0.772 -14.146 270 HA2 GLY 440 2HA GLY 440 1.490 0.315 -11.850 271 HA3 GLY 440 1HA GLY 440 0.837 -1.181 -12.504 272 H VAL 441 H VAL 441 3.085 0.172 -10.388 273 HA VAL 441 HA VAL 441 4.422 -2.437 -10.072 274 HB VAL 441 HB VAL 441 5.586 0.334 -9.949 275 HG11 VAL 441 1HG1 VAL 441 7.650 -0.683 -8.998 276 HG12 VAL 441 2HG1 VAL 441 6.727 -2.150 -8.676 277 HG13 VAL 441 3HG1 VAL 441 6.293 -0.642 -7.871 278 HG21 VAL 441 3HG2 VAL 441 5.994 -0.484 -12.041 279 HG22 VAL 441 1HG2 VAL 441 6.033 -2.160 -11.493 280 HG23 VAL 441 2HG2 VAL 441 7.413 -1.103 -11.194 281 H ARG 442 H ARG 442 5.035 -3.000 -7.872 282 HA ARG 442 HA ARG 442 3.259 -1.732 -5.910 283 HB2 ARG 442 2HB ARG 442 4.394 -4.486 -6.214 284 HB3 ARG 442 1HB ARG 442 3.920 -3.917 -4.619 285 HG2 ARG 442 2HG ARG 442 1.667 -3.697 -5.252 286 HG3 ARG 442 1HG ARG 442 2.054 -3.839 -6.968 287 HD2 ARG 442 2HD ARG 442 1.436 -5.983 -6.689 288 HD3 ARG 442 1HD ARG 442 3.056 -6.167 -6.023 289 HE ARG 442 HE ARG 442 0.770 -5.559 -4.273 290 HH11 ARG 442 1HH1 ARG 442 3.422 -7.659 -5.175 291 HH12 ARG 442 2HH1 ARG 442 3.291 -8.630 -3.750 292 HH21 ARG 442 1HH2 ARG 442 0.609 -6.842 -2.408 293 HH22 ARG 442 2HH2 ARG 442 1.698 -8.170 -2.182 294 H LYS 443 H LYS 443 4.169 -2.071 -3.577 295 HA LYS 443 HA LYS 443 6.967 -1.938 -3.177 296 HB2 LYS 443 2HB LYS 443 6.994 0.230 -4.066 297 HB3 LYS 443 1HB LYS 443 5.445 0.645 -3.351 298 HG2 LYS 443 2HG LYS 443 6.369 1.033 -1.260 299 HG3 LYS 443 1HG LYS 443 7.811 0.079 -1.612 300 HD2 LYS 443 2HD LYS 443 8.481 2.352 -1.653 301 HD3 LYS 443 1HD LYS 443 8.397 1.826 -3.334 302 HE2 LYS 443 2HE LYS 443 6.361 2.963 -3.689 303 HE3 LYS 443 1HE LYS 443 6.113 3.213 -1.962 304 HZ1 LYS 443 3HZ LYS 443 7.746 4.712 -3.838 305 HZ2 LYS 443 1HZ LYS 443 8.436 4.458 -2.313 306 HZ3 LYS 443 2HZ LYS 443 6.938 5.234 -2.446 307 H HIS 444 H HIS 444 7.441 -2.326 -1.061 308 HA HIS 444 HA HIS 444 5.170 -2.292 0.814 309 HB2 HIS 444 2HB HIS 444 7.289 -4.249 0.258 310 HB3 HIS 444 1HB HIS 444 7.056 -3.921 1.972 311 HD1 HIS 444 1HD HIS 444 5.475 -5.564 -0.952 312 HD2 HIS 444 2HD HIS 444 4.530 -4.695 2.999 313 HE1 HIS 444 1HE HIS 444 3.452 -6.961 -0.421 314 HE2 HIS 444 2HE HIS 444 2.992 -6.525 2.016 315 H VAL 445 H VAL 445 5.362 -1.278 2.752 316 HA VAL 445 HA VAL 445 7.964 -0.052 3.392 317 HB VAL 445 HB VAL 445 5.285 1.293 3.773 318 HG11 VAL 445 1HG1 VAL 445 7.224 1.854 5.317 319 HG12 VAL 445 2HG1 VAL 445 6.478 3.201 4.455 320 HG13 VAL 445 3HG1 VAL 445 8.016 2.540 3.898 321 HG21 VAL 445 3HG2 VAL 445 5.918 1.009 1.378 322 HG22 VAL 445 1HG2 VAL 445 7.384 1.933 1.707 323 HG23 VAL 445 2HG2 VAL 445 5.802 2.691 1.898 324 H GLU 446 H GLU 446 8.672 -0.648 5.327 325 HA GLU 446 HA GLU 446 6.812 -0.924 7.553 326 HB2 GLU 446 2HB GLU 446 8.801 -3.116 7.338 327 HB3 GLU 446 1HB GLU 446 7.179 -3.132 8.014 328 HG2 GLU 446 2HG GLU 446 6.271 -3.116 5.712 329 HG3 GLU 446 1HG GLU 446 7.920 -3.231 5.100 330 H ARG 447 H ARG 447 7.967 -1.141 9.645 331 HA ARG 447 HA ARG 447 10.509 0.335 9.542 332 HB2 ARG 447 2HB ARG 447 8.509 0.112 11.798 333 HB3 ARG 447 1HB ARG 447 9.993 1.053 11.841 334 HG2 ARG 447 2HG ARG 447 8.256 2.581 11.411 335 HG3 ARG 447 1HG ARG 447 9.090 2.346 9.874 336 HD2 ARG 447 2HD ARG 447 7.346 1.181 8.948 337 HD3 ARG 447 1HD ARG 447 6.762 0.605 10.509 338 HE ARG 447 HE ARG 447 5.462 2.481 10.680 339 HH11 ARG 447 1HH1 ARG 447 7.808 2.958 8.141 340 HH12 ARG 447 2HH1 ARG 447 7.089 4.431 7.582 341 HH21 ARG 447 1HH2 ARG 447 4.512 4.417 9.945 342 HH22 ARG 447 2HH2 ARG 447 5.217 5.260 8.606 343 H ALA 448 H ALA 448 11.991 -0.106 11.434 344 HA ALA 448 HA ALA 448 12.398 -2.979 11.599 345 HB1 ALA 448 1HB ALA 448 14.497 -1.966 12.940 346 HB2 ALA 448 2HB ALA 448 14.079 -0.581 11.932 347 HB3 ALA 448 3HB ALA 448 14.446 -2.136 11.184 348 H ALA 449 H ALA 449 11.987 -4.191 13.307 349 HA ALA 449 HA ALA 449 10.393 -3.534 15.400 350 HB1 ALA 449 1HB ALA 449 12.386 -5.493 16.217 351 HB2 ALA 449 2HB ALA 449 11.719 -5.801 14.614 352 HB3 ALA 449 3HB ALA 449 10.643 -5.665 16.005 353 H THR 450 H THR 450 13.953 -3.623 15.579 354 HA THR 450 HA THR 450 13.897 -2.417 18.213 355 HB THR 450 HB THR 450 16.487 -2.393 17.738 356 HG1 THR 450 1HG THR 450 16.943 -4.217 16.286 357 HG21 THR 450 3HG2 THR 450 14.766 -4.798 18.291 358 HG22 THR 450 1HG2 THR 450 15.647 -3.792 19.439 359 HG23 THR 450 2HG2 THR 450 16.526 -4.873 18.359 360 H ASP 451 H ASP 451 14.382 -1.452 14.919 361 HA ASP 451 HA ASP 451 15.082 1.266 15.824 362 HB2 ASP 451 2HB ASP 451 16.567 -0.197 14.160 363 HB3 ASP 451 1HB ASP 451 15.457 0.488 12.977 364 HA PRO 452 HA PRO 452 10.783 1.723 14.261 365 HB2 PRO 452 2HB PRO 452 10.219 3.876 15.829 366 HB3 PRO 452 1HB PRO 452 10.051 2.206 16.384 367 HG2 PRO 452 2HG PRO 452 12.285 4.143 16.853 368 HG3 PRO 452 1HG PRO 452 11.514 3.027 17.995 369 HD2 PRO 452 2HD PRO 452 13.887 2.482 16.828 370 HD3 PRO 452 1HD PRO 452 12.713 1.210 17.222 371 H LYS 453 H LYS 453 13.525 3.832 14.462 372 HA LYS 453 HA LYS 453 12.347 5.918 12.844 373 HB2 LYS 453 2HB LYS 453 14.928 5.486 14.242 374 HB3 LYS 453 1HB LYS 453 14.968 6.523 12.823 375 HG2 LYS 453 2HG LYS 453 13.250 6.902 15.268 376 HG3 LYS 453 1HG LYS 453 14.673 7.846 14.819 377 HD2 LYS 453 2HD LYS 453 13.243 9.244 13.821 378 HD3 LYS 453 1HD LYS 453 13.090 8.007 12.572 379 HE2 LYS 453 2HE LYS 453 11.386 7.357 14.781 380 HE3 LYS 453 1HE LYS 453 11.085 9.018 14.275 381 HZ1 LYS 453 3HZ LYS 453 11.220 7.689 11.927 382 HZ2 LYS 453 1HZ LYS 453 9.789 8.088 12.736 383 HZ3 LYS 453 2HZ LYS 453 10.470 6.553 12.929 384 H ALA 454 H ALA 454 14.164 3.013 12.354 385 HA ALA 454 HA ALA 454 15.017 3.751 9.683 386 HB1 ALA 454 1HB ALA 454 16.429 1.995 9.794 387 HB2 ALA 454 2HB ALA 454 15.230 0.940 10.540 388 HB3 ALA 454 3HB ALA 454 16.107 2.110 11.524 389 H VAL 455 H VAL 455 13.932 3.333 7.869 390 HA VAL 455 HA VAL 455 11.609 1.526 8.029 391 HB VAL 455 HB VAL 455 11.916 3.874 6.157 392 HG11 VAL 455 1HG1 VAL 455 9.678 3.508 5.537 393 HG12 VAL 455 2HG1 VAL 455 9.399 2.401 6.881 394 HG13 VAL 455 3HG1 VAL 455 10.423 1.910 5.533 395 HG21 VAL 455 3HG2 VAL 455 10.556 3.658 8.832 396 HG22 VAL 455 1HG2 VAL 455 10.133 4.895 7.646 397 HG23 VAL 455 2HG2 VAL 455 11.765 4.831 8.308 398 H VAL 456 H VAL 456 11.267 0.064 6.389 399 HA VAL 456 HA VAL 456 13.515 -0.285 4.525 400 HB VAL 456 HB VAL 456 13.088 -2.605 4.467 401 HG11 VAL 456 1HG1 VAL 456 12.416 -2.421 7.306 402 HG12 VAL 456 2HG1 VAL 456 13.728 -1.351 6.813 403 HG13 VAL 456 3HG1 VAL 456 13.847 -3.085 6.517 404 HG21 VAL 456 3HG2 VAL 456 11.122 -3.644 5.571 405 HG22 VAL 456 1HG2 VAL 456 10.695 -2.606 4.210 406 HG23 VAL 456 2HG2 VAL 456 10.475 -2.027 5.861 407 H THR 457 H THR 457 13.167 -0.505 2.341 408 HA THR 457 HA THR 457 10.390 -0.291 1.397 409 HB THR 457 HB THR 457 12.494 1.172 -0.121 410 HG1 THR 457 1HG THR 457 11.376 2.000 2.355 411 HG21 THR 457 3HG2 THR 457 10.705 2.467 -0.876 412 HG22 THR 457 1HG2 THR 457 9.701 2.066 0.518 413 HG23 THR 457 2HG2 THR 457 10.003 0.854 -0.730 414 H THR 458 H THR 458 9.900 -1.821 -0.012 415 HA THR 458 HA THR 458 12.071 -3.029 -1.602 416 HB THR 458 HB THR 458 9.544 -4.524 -1.025 417 HG1 THR 458 1HG THR 458 11.713 -4.108 0.759 418 HG21 THR 458 3HG2 THR 458 10.913 -6.448 -1.346 419 HG22 THR 458 1HG2 THR 458 12.390 -5.489 -1.259 420 HG23 THR 458 2HG2 THR 458 11.307 -5.319 -2.641 421 H TYR 459 H TYR 459 11.877 -2.903 -3.753 422 HA TYR 459 HA TYR 459 9.345 -1.913 -4.857 423 HB2 TYR 459 2HB TYR 459 12.178 -1.871 -5.882 424 HB3 TYR 459 1HB TYR 459 10.806 -1.500 -6.918 425 HD1 TYR 459 1HD TYR 459 9.160 0.333 -5.947 426 HD2 TYR 459 2HD TYR 459 13.227 -0.133 -4.785 427 HE1 TYR 459 1HE TYR 459 9.203 2.668 -5.179 428 HE2 TYR 459 2HE TYR 459 13.280 2.201 -4.009 429 HH TYR 459 HH TYR 459 10.834 4.442 -4.764 430 H GLU 460 H GLU 460 8.030 -3.298 -5.825 431 HA GLU 460 HA GLU 460 9.182 -5.739 -7.010 432 HB2 GLU 460 2HB GLU 460 6.419 -5.337 -5.848 433 HB3 GLU 460 1HB GLU 460 7.024 -6.827 -6.560 434 HG2 GLU 460 2HG GLU 460 8.323 -7.327 -4.757 435 HG3 GLU 460 1HG GLU 460 8.561 -5.635 -4.321 436 H GLY 461 H GLY 461 9.325 -5.408 -9.151 437 HA2 GLY 461 2HA GLY 461 7.750 -5.646 -11.114 438 HA3 GLY 461 1HA GLY 461 7.003 -4.177 -10.504 439 H LYS 462 H LYS 462 7.420 -3.262 -12.593 440 HA LYS 462 HA LYS 462 9.995 -1.938 -12.689 441 HB2 LYS 462 2HB LYS 462 9.597 -4.241 -14.232 442 HB3 LYS 462 1HB LYS 462 9.384 -2.904 -15.353 443 HG2 LYS 462 2HG LYS 462 11.595 -2.908 -15.559 444 HG3 LYS 462 1HG LYS 462 11.641 -2.189 -13.948 445 HD2 LYS 462 2HD LYS 462 11.600 -4.583 -13.064 446 HD3 LYS 462 1HD LYS 462 11.961 -5.078 -14.719 447 HE2 LYS 462 2HE LYS 462 13.628 -3.024 -13.303 448 HE3 LYS 462 1HE LYS 462 13.919 -4.748 -13.080 449 HZ1 LYS 462 3HZ LYS 462 13.863 -3.425 -15.735 450 HZ2 LYS 462 1HZ LYS 462 14.366 -5.002 -15.385 451 HZ3 LYS 462 2HZ LYS 462 15.280 -3.683 -14.849 452 H HIS 463 H HIS 463 9.908 0.045 -13.686 453 HA HIS 463 HA HIS 463 7.229 0.937 -14.474 454 HB2 HIS 463 2HB HIS 463 9.661 2.632 -13.876 455 HB3 HIS 463 1HB HIS 463 7.999 3.186 -14.045 456 HD2 HIS 463 2HD HIS 463 10.344 1.658 -11.378 457 HE1 HIS 463 1HE HIS 463 6.527 2.193 -9.602 458 HE2 HIS 463 2HE HIS 463 8.965 1.705 -9.190 459 H ASN 464 H ASN 464 6.749 1.236 -16.540 460 HA ASN 464 HA ASN 464 8.953 1.412 -18.473 461 HB2 ASN 464 2HB ASN 464 7.359 0.637 -20.151 462 HB3 ASN 464 1HB ASN 464 7.404 -0.471 -18.786 463 HD21 ASN 464 1HD2 ASN 464 5.345 -1.187 -19.625 464 HD22 ASN 464 2HD2 ASN 464 3.909 -0.328 -19.196 465 H HIS 465 H HIS 465 8.196 3.731 -17.020 466 HA HIS 465 HA HIS 465 7.196 5.366 -19.246 467 HB2 HIS 465 2HB HIS 465 6.124 6.878 -17.499 468 HB3 HIS 465 1HB HIS 465 5.364 5.322 -17.757 469 HD1 HIS 465 1HD HIS 465 7.370 7.202 -15.173 470 HD2 HIS 465 2HD HIS 465 5.294 3.633 -15.587 471 HE1 HIS 465 1HE HIS 465 7.200 6.259 -12.856 472 H ASP 466 H ASP 466 7.766 7.392 -16.673 473 HA ASP 466 HA ASP 466 10.596 7.556 -16.730 474 HB2 ASP 466 2HB ASP 466 9.609 8.603 -18.976 475 HB3 ASP 466 1HB ASP 466 9.335 9.987 -17.923 476 H LEU 467 H LEU 467 11.120 9.979 -15.800 477 HA LEU 467 HA LEU 467 9.753 10.019 -13.284 478 HB2 LEU 467 2HB LEU 467 12.083 11.380 -14.477 479 HB3 LEU 467 1HB LEU 467 11.228 12.282 -13.240 480 HG LEU 467 HG LEU 467 13.158 10.949 -12.392 481 HD11 LEU 467 1HD1 LEU 467 10.829 11.503 -11.196 482 HD12 LEU 467 2HD1 LEU 467 12.146 10.647 -10.395 483 HD13 LEU 467 3HD1 LEU 467 10.800 9.743 -11.087 484 HD21 LEU 467 3HD2 LEU 467 11.754 8.428 -12.309 485 HD22 LEU 467 1HD2 LEU 467 13.400 8.784 -12.832 486 HD23 LEU 467 2HD2 LEU 467 12.061 8.935 -13.969 487 HA PRO 468 HA PRO 468 6.717 12.928 -14.899 488 HB2 PRO 468 2HB PRO 468 4.869 12.573 -12.993 489 HB3 PRO 468 1HB PRO 468 5.155 11.363 -14.249 490 HG2 PRO 468 2HG PRO 468 6.068 11.394 -11.406 491 HG3 PRO 468 1HG PRO 468 5.477 10.036 -12.378 492 HD2 PRO 468 2HD PRO 468 8.141 10.579 -11.890 493 HD3 PRO 468 1HD PRO 468 7.543 9.624 -13.251 494 H ALA 469 H ALA 469 8.331 14.602 -14.350 495 HA ALA 469 HA ALA 469 9.049 16.475 -13.257 496 HB1 ALA 469 1HB ALA 469 6.949 17.598 -12.028 497 HB2 ALA 469 2HB ALA 469 6.102 16.438 -13.051 498 HB3 ALA 469 3HB ALA 469 7.176 17.632 -13.777 499 H5' DC 3 H5' DC 3 -4.905 16.158 -9.458 500 H5'' DC 3 H5" DC 3 -6.503 16.008 -8.705 501 H4' DC 3 H4' DC 3 -3.833 16.113 -7.306 502 H3' DC 3 H3' DC 3 -4.828 13.869 -8.429 503 H2' DC 3 H2' DC 3 -6.926 13.777 -7.285 504 H2'' DC 3 H2" DC 3 -5.930 12.843 -6.178 505 H1' DC 3 H1' DC 3 -5.563 14.699 -4.715 506 H41 DC 3 1H4 DC 3 -11.416 16.179 -2.830 507 H42 DC 3 2H4 DC 3 -12.050 16.021 -4.452 508 H5 DC 3 5H DC 3 -10.657 15.503 -6.364 509 H6 DC 3 6H DC 3 -8.380 15.037 -7.104 510 H5' DC 4 H5' DC 4 -1.660 12.360 -4.800 511 H5'' DC 4 H5" DC 4 -1.512 10.604 -5.028 512 H4' DC 4 H4' DC 4 -2.141 11.641 -2.706 513 H3' DC 4 H3' DC 4 -2.404 9.068 -3.717 514 H2' DC 4 H2' DC 4 -4.747 9.090 -4.104 515 H2'' DC 4 H2" DC 4 -4.779 8.729 -2.383 516 H1' DC 4 H1' DC 4 -5.079 11.027 -1.763 517 H41 DC 4 1H4 DC 4 -10.828 11.985 -4.211 518 H42 DC 4 2H4 DC 4 -10.271 11.666 -5.840 519 H5 DC 4 5H DC 4 -7.976 11.083 -6.353 520 H6 DC 4 6H DC 4 -5.761 10.690 -5.411 521 H5' DT 5 H5' DT 5 -3.617 10.430 0.216 522 H5'' DT 5 H5" DT 5 -2.635 9.671 1.488 523 H4' DT 5 H4' DT 5 -4.540 10.565 2.540 524 H3' DT 5 H3' DT 5 -3.990 7.954 2.931 525 H2' DT 5 H2' DT 5 -5.496 7.013 1.326 526 H2'' DT 5 H2" DT 5 -6.536 7.051 2.743 527 H1' DT 5 H1' DT 5 -7.599 9.088 2.083 528 H3 DT 5 3H DT 5 -10.324 8.085 -1.298 529 H71 DT 5 1H7 DT 5 -5.358 6.660 -2.809 530 H72 DT 5 2H7 DT 5 -6.818 6.065 -3.637 531 H73 DT 5 3H7 DT 5 -6.222 7.712 -3.954 532 H6 DT 5 6H DT 5 -5.595 7.782 -0.756 533 H5' DT 6 H5' DT 6 -7.209 8.197 5.470 534 H5'' DT 6 H5" DT 6 -7.033 8.252 7.235 535 H4' DT 6 H4' DT 6 -7.805 6.197 7.463 536 H3' DT 6 H3' DT 6 -5.737 5.405 5.445 537 H2' DT 6 H2' DT 6 -6.943 3.431 4.920 538 H2'' DT 6 H2" DT 6 -7.780 3.416 6.465 539 H1' DT 6 H1' DT 6 -9.562 4.469 5.469 540 H3 DT 6 3H DT 6 -10.821 4.865 1.177 541 H71 DT 6 1H7 DT 6 -6.031 3.425 0.596 542 H72 DT 6 2H7 DT 6 -6.462 4.898 -0.305 543 H73 DT 6 3H7 DT 6 -5.487 5.016 1.181 544 H6 DT 6 6H DT 6 -6.587 4.608 3.356 545 H5' DT 7 H5' DT 7 -7.356 3.138 9.446 546 H5'' DT 7 H5" DT 7 -6.827 1.444 9.502 547 H4' DT 7 H4' DT 7 -9.401 2.252 9.420 548 H3' DT 7 H3' DT 7 -8.274 -0.188 9.555 549 H2' DT 7 H2' DT 7 -7.834 -0.517 7.221 550 H2'' DT 7 H2" DT 7 -9.434 -1.234 7.349 551 H1' DT 7 H1' DT 7 -10.536 0.734 6.548 552 H3 DT 7 3H DT 7 -9.746 0.881 2.167 553 H71 DT 7 1H7 DT 7 -4.961 0.466 4.108 554 H72 DT 7 2H7 DT 7 -5.140 2.233 4.223 555 H73 DT 7 3H7 DT 7 -5.250 1.429 2.641 556 H6 DT 7 6H DT 7 -6.887 1.093 5.977 557 H5' DG 8 H5' DG 8 -13.237 -0.680 9.024 558 H5'' DG 8 H5" DG 8 -13.432 -1.696 10.469 559 H4' DG 8 H4' DG 8 -15.018 -2.316 8.749 560 H3' DG 8 H3' DG 8 -13.713 -4.160 10.165 561 H2' DG 8 H2' DG 8 -11.830 -4.522 8.740 562 H2'' DG 8 H2" DG 8 -12.926 -5.740 8.105 563 H1' DG 8 H1' DG 8 -13.554 -4.426 6.244 564 H8 DG 8 8H DG 8 -10.299 -3.422 7.998 565 H1 DG 8 1H DG 8 -10.178 -3.108 1.593 566 H21 DG 8 1H2 DG 8 -12.176 -3.474 0.771 567 H22 DG 8 2H2 DG 8 -13.560 -3.799 1.790 568 H5' DA 9 H5' DA 9 -16.172 -5.458 6.605 569 H5'' DA 9 H5" DA 9 -17.519 -6.386 7.298 570 H4' DA 9 H4' DA 9 -17.481 -7.058 5.089 571 H3' DA 9 H3' DA 9 -17.073 -9.036 6.852 572 H2' DA 9 H2' DA 9 -14.682 -9.093 6.825 573 H2'' DA 9 H2" DA 9 -15.031 -10.258 5.556 574 H1' DA 9 H1' DA 9 -14.654 -8.690 3.807 575 H8 DA 9 8H DA 9 -13.087 -7.817 7.208 576 H61 DA 9 2H6 DA 9 -8.643 -6.676 5.597 577 H62 DA 9 1H6 DA 9 -7.951 -6.532 3.996 578 H2 DA 9 2H DA 9 -11.222 -7.465 1.076 579 H5' DC 10 H5' DC 10 -17.844 -10.513 2.024 580 H5'' DC 10 H5" DC 10 -18.530 -12.100 2.434 581 H4' DC 10 H4' DC 10 -17.313 -11.948 0.244 582 H3' DC 10 H3' DC 10 -17.516 -14.126 1.821 583 H2' DC 10 H2' DC 10 -15.478 -13.945 3.044 584 H2'' DC 10 H2" DC 10 -14.894 -14.847 1.653 585 H1' DC 10 H1' DC 10 -13.988 -12.942 0.592 586 H41 DC 10 1H4 DC 10 -9.928 -10.619 4.866 587 H42 DC 10 2H4 DC 10 -11.115 -10.736 6.141 588 H5 DC 10 5H DC 10 -13.377 -11.516 5.783 589 H6 DC 10 6H DC 10 -14.961 -12.344 4.123 590 H5' DC 11 H5' DC 11 -15.878 -16.076 -2.398 591 H5'' DC 11 H5" DC 11 -16.691 -17.655 -2.429 592 H4' DC 11 H4' DC 11 -14.249 -17.810 -2.648 593 H3' DC 11 H3' DC 11 -15.823 -19.415 -0.941 594 H2' DC 11 H2' DC 11 -14.806 -18.832 1.102 595 H2'' DC 11 H2" DC 11 -13.508 -19.867 0.525 596 H1' DC 11 H1' DC 11 -12.256 -18.050 -0.386 597 H41 DC 11 1H4 DC 11 -10.928 -14.579 4.750 598 H42 DC 11 2H4 DC 11 -12.523 -14.851 5.410 599 H5 DC 11 5H DC 11 -14.245 -16.087 4.247 600 H6 DC 11 6H DC 11 -14.794 -17.303 2.206 601 H5' DA 12 H5' DA 12 -11.771 -20.832 -2.325 602 H5'' DA 12 H5" DA 12 -11.842 -22.445 -3.067 603 H4' DA 12 H4' DA 12 -9.717 -22.266 -2.093 604 H3' DA 12 H3' DA 12 -11.261 -24.350 -1.330 605 H2' DA 12 H2' DA 12 -12.083 -23.459 0.730 606 H2'' DA 12 H2" DA 12 -10.631 -24.269 1.299 607 H1' DA 12 H1' DA 12 -9.333 -22.254 1.288 608 H8 DA 12 8H DA 12 -13.143 -21.956 1.666 609 H61 DA 12 2H6 DA 12 -13.180 -18.700 5.275 610 H62 DA 12 1H6 DA 12 -11.924 -17.773 6.066 611 H2 DA 12 2H DA 12 -8.053 -18.891 4.097 612 H5' DT 21 H5' DT 21 -2.786 -15.094 10.813 613 H5'' DT 21 H5" DT 21 -4.517 -14.838 10.519 614 H4' DT 21 H4' DT 21 -2.504 -16.171 8.721 615 H3' DT 21 H3' DT 21 -3.048 -13.510 8.787 616 H2' DT 21 H2' DT 21 -5.372 -13.600 8.237 617 H2'' DT 21 H2" DT 21 -4.684 -13.518 6.622 618 H1' DT 21 H1' DT 21 -4.799 -15.890 6.298 619 H3 DT 21 3H DT 21 -8.975 -17.427 5.878 620 H71 DT 21 1H7 DT 21 -10.566 -14.909 9.346 621 H72 DT 21 2H7 DT 21 -9.664 -13.420 8.977 622 H73 DT 21 3H7 DT 21 -9.106 -14.501 10.277 623 H6 DT 21 6H DT 21 -6.920 -14.370 8.908 624 H5' DG 22 H5' DG 22 -3.191 -15.011 4.436 625 H5'' DG 22 H5" DG 22 -1.432 -15.162 4.630 626 H4' DG 22 H4' DG 22 -1.314 -15.147 2.421 627 H3' DG 22 H3' DG 22 -0.933 -12.573 3.000 628 H2' DG 22 H2' DG 22 -3.014 -11.529 2.777 629 H2'' DG 22 H2" DG 22 -2.797 -11.735 1.044 630 H1' DG 22 H1' DG 22 -4.452 -13.304 0.970 631 H8 DG 22 8H DG 22 -3.906 -12.027 4.487 632 H1 DG 22 1H DG 22 -9.645 -14.715 3.505 633 H21 DG 22 1H2 DG 22 -9.703 -15.697 1.585 634 H22 DG 22 2H2 DG 22 -8.366 -15.743 0.473 635 H5' DG 23 H5' DG 23 -1.977 -12.801 -0.931 636 H5'' DG 23 H5" DG 23 -1.105 -12.107 -2.313 637 H4' DG 23 H4' DG 23 -3.147 -11.237 -2.723 638 H3' DG 23 H3' DG 23 -1.754 -9.270 -0.964 639 H2' DG 23 H2' DG 23 -3.741 -8.134 -0.451 640 H2'' DG 23 H2" DG 23 -4.436 -8.471 -2.031 641 H1' DG 23 H1' DG 23 -5.574 -10.286 -1.251 642 H8 DG 23 8H DG 23 -3.310 -9.188 1.693 643 H1 DG 23 1H DG 23 -9.343 -10.770 3.189 644 H21 DG 23 1H2 DG 23 -10.401 -11.455 1.437 645 H22 DG 23 2H2 DG 23 -9.694 -11.552 -0.151 646 H5' DT 24 H5' DT 24 -4.055 -8.591 -4.321 647 H5'' DT 24 H5" DT 24 -3.600 -7.512 -5.656 648 H4' DT 24 H4' DT 24 -5.863 -7.210 -5.595 649 H3' DT 24 H3' DT 24 -4.591 -5.069 -3.943 650 H2' DT 24 H2' DT 24 -6.676 -4.358 -3.088 651 H2'' DT 24 H2" DT 24 -7.564 -4.970 -4.476 652 H1' DT 24 H1' DT 24 -8.056 -6.872 -3.316 653 H3 DT 24 3H DT 24 -8.747 -6.762 1.078 654 H71 DT 24 1H7 DT 24 -3.515 -6.225 0.534 655 H72 DT 24 2H7 DT 24 -4.369 -5.892 2.060 656 H73 DT 24 3H7 DT 24 -4.137 -4.591 0.868 657 H6 DT 24 6H DT 24 -4.910 -5.892 -1.614 658 H5' DC 25 H5' DC 25 -8.304 -4.931 -6.973 659 H5'' DC 25 H5" DC 25 -8.352 -3.266 -7.588 660 H4' DC 25 H4' DC 25 -10.536 -4.438 -6.837 661 H3' DC 25 H3' DC 25 -10.038 -1.815 -7.201 662 H2' DC 25 H2' DC 25 -9.321 -1.256 -4.987 663 H2'' DC 25 H2" DC 25 -11.046 -0.958 -4.837 664 H1' DC 25 H1' DC 25 -11.469 -3.072 -3.815 665 H41 DC 25 1H4 DC 25 -7.968 -2.652 1.433 666 H42 DC 25 2H4 DC 25 -6.512 -2.318 0.523 667 H5 DC 25 5H DC 25 -6.472 -2.189 -1.893 668 H6 DC 25 6H DC 25 -7.809 -2.394 -3.923 669 H5' DA 26 H5' DA 26 -14.684 -2.589 -5.256 670 H5'' DA 26 H5" DA 26 -15.449 -1.569 -6.492 671 H4' DA 26 H4' DA 26 -16.586 -1.492 -4.307 672 H3' DA 26 H3' DA 26 -16.346 0.614 -5.929 673 H2' DA 26 H2' DA 26 -14.305 1.537 -5.087 674 H2'' DA 26 H2" DA 26 -15.469 2.411 -4.101 675 H1' DA 26 H1' DA 26 -15.154 1.004 -2.217 676 H8 DA 26 8H DA 26 -12.344 0.998 -4.834 677 H61 DA 26 2H6 DA 26 -8.590 1.251 -1.755 678 H62 DA 26 1H6 DA 26 -8.464 1.186 -0.011 679 H2 DA 26 2H DA 26 -12.628 0.677 1.572 680 H5' DA 27 H5' DA 27 -19.245 1.764 -1.904 681 H5'' DA 27 H5" DA 27 -20.407 2.743 -2.822 682 H4' DA 27 H4' DA 27 -20.027 3.525 -0.506 683 H3' DA 27 H3' DA 27 -20.464 5.139 -2.617 684 H2' DA 27 H2' DA 27 -18.189 5.614 -3.197 685 H2'' DA 27 H2" DA 27 -18.513 6.935 -2.085 686 H1' DA 27 H1' DA 27 -17.478 5.822 -0.237 687 H8 DA 27 8H DA 27 -16.366 5.045 -3.798 688 H61 DA 27 2H6 DA 27 -11.587 4.720 -2.966 689 H62 DA 27 1H6 DA 27 -10.624 4.712 -1.505 690 H2 DA 27 2H DA 27 -13.476 5.081 1.934 691 H5' DA 28 H5' DA 28 -19.115 6.890 1.211 692 H5'' DA 28 H5" DA 28 -20.545 7.672 1.915 693 H4' DA 28 H4' DA 28 -18.935 8.759 3.069 694 H3' DA 28 H3' DA 28 -20.063 10.434 1.294 695 H2' DA 28 H2' DA 28 -18.458 10.240 -0.472 696 H2'' DA 28 H2" DA 28 -17.785 11.601 0.415 697 H1' DA 28 H1' DA 28 -16.197 10.245 1.573 698 H8 DA 28 8H DA 28 -17.580 8.794 -1.715 699 H61 DA 28 2H6 DA 28 -13.320 7.544 -3.700 700 H62 DA 28 1H6 DA 28 -11.672 7.576 -3.115 701 H2 DA 28 2H DA 28 -11.810 9.174 1.071 702 H5' DG 29 H5' DG 29 -17.665 13.048 4.936 703 H5'' DG 29 H5" DG 29 -17.356 14.716 4.408 704 H4' DG 29 H4' DG 29 -15.511 12.904 5.382 705 H3' DG 29 H3' DG 29 -15.468 15.589 4.885 706 H2' DG 29 H2' DG 29 -14.839 15.510 2.583 707 H2'' DG 29 H2" DG 29 -13.246 15.498 3.328 708 H1' DG 29 H1' DG 29 -13.060 13.103 3.204 709 H8 DG 29 8H DG 29 -16.012 13.757 0.796 710 H1 DG 29 1H DG 29 -10.443 12.162 -1.957 711 H21 DG 29 1H2 DG 29 -8.867 11.980 -0.442 712 H22 DG 29 2H2 DG 29 -9.170 12.249 1.258 713 H5' DG 30 H5' DG 30 -10.921 14.316 6.793 714 H5'' DG 30 H5" DG 30 -11.073 15.506 8.103 715 H4' DG 30 H4' DG 30 -8.795 15.395 7.315 716 H3' DG 30 H3' DG 30 -9.983 17.743 7.791 717 H2' DG 30 H2' DG 30 -10.804 18.209 5.594 718 H2'' DG 30 H2" DG 30 -9.247 19.020 5.527 719 H1' DG 30 H1' DG 30 -8.197 17.225 4.364 720 H8 DG 30 8H DG 30 -12.029 17.383 4.155 721 H1 DG 30 1H DG 30 -9.015 16.043 -1.345 722 H21 DG 30 1H2 DG 30 -6.870 15.768 -0.994 723 H22 DG 30 2H2 DG 30 -6.156 15.910 0.597 Start of MODEL 9 1 H LEU 407 H LEU 407 6.875 7.707 -3.351 2 HA LEU 407 HA LEU 407 4.894 8.880 -2.404 3 HB2 LEU 407 2HB LEU 407 6.445 8.061 0.011 4 HB3 LEU 407 1HB LEU 407 5.625 9.611 0.029 5 HG LEU 407 HG LEU 407 4.347 6.902 -0.335 6 HD11 LEU 407 2HD1 LEU 407 3.250 7.415 1.779 7 HD12 LEU 407 3HD1 LEU 407 4.123 8.945 1.871 8 HD13 LEU 407 1HD1 LEU 407 5.004 7.420 1.959 9 HD21 LEU 407 1HD2 LEU 407 2.397 8.874 0.089 10 HD22 LEU 407 2HD2 LEU 407 2.674 7.928 -1.373 11 HD23 LEU 407 3HD2 LEU 407 3.453 9.498 -1.177 12 H LEU 408 H LEU 408 5.320 11.190 -1.454 13 HA LEU 408 HA LEU 408 6.306 13.210 -1.763 14 HB2 LEU 408 2HB LEU 408 8.284 11.491 -0.707 15 HB3 LEU 408 1HB LEU 408 9.068 12.451 -1.944 16 HG LEU 408 HG LEU 408 7.541 13.529 0.426 17 HD11 LEU 408 1HD1 LEU 408 10.027 12.480 0.463 18 HD12 LEU 408 2HD1 LEU 408 9.494 13.796 1.508 19 HD13 LEU 408 3HD1 LEU 408 10.388 14.152 0.031 20 HD21 LEU 408 3HD2 LEU 408 7.229 15.261 -0.986 21 HD22 LEU 408 1HD2 LEU 408 8.542 14.767 -2.056 22 HD23 LEU 408 2HD2 LEU 408 8.901 15.629 -0.559 23 H ASP 409 H ASP 409 5.454 11.864 -4.066 24 HA ASP 409 HA ASP 409 5.770 11.648 -6.335 25 HB2 ASP 409 2HB ASP 409 6.427 14.486 -5.613 26 HB3 ASP 409 1HB ASP 409 6.429 13.964 -7.295 27 H ASP 410 H ASP 410 7.695 10.159 -5.764 28 HA ASP 410 HA ASP 410 10.332 11.143 -6.226 29 HB2 ASP 410 2HB ASP 410 10.990 8.786 -6.270 30 HB3 ASP 410 1HB ASP 410 9.897 9.096 -4.923 31 H GLY 411 H GLY 411 7.738 10.512 -8.276 32 HA2 GLY 411 2HA GLY 411 8.716 11.380 -10.616 33 HA3 GLY 411 1HA GLY 411 9.316 9.728 -10.582 34 H TYR 412 H TYR 412 7.003 8.709 -9.150 35 HA TYR 412 HA TYR 412 4.988 8.881 -11.292 36 HB2 TYR 412 2HB TYR 412 5.822 6.479 -9.645 37 HB3 TYR 412 1HB TYR 412 4.476 6.486 -10.774 38 HD1 TYR 412 2HD TYR 412 5.926 8.256 -12.874 39 HD2 TYR 412 1HD TYR 412 7.058 4.745 -10.751 40 HE1 TYR 412 2HE TYR 412 7.454 7.654 -14.702 41 HE2 TYR 412 1HE TYR 412 8.590 4.133 -12.576 42 HH TYR 412 HH TYR 412 9.395 6.305 -15.110 43 H ARG 413 H ARG 413 2.929 7.484 -10.119 44 HA ARG 413 HA ARG 413 2.347 9.078 -7.710 45 HB2 ARG 413 2HB ARG 413 0.637 8.377 -10.073 46 HB3 ARG 413 1HB ARG 413 -0.108 8.695 -8.513 47 HG2 ARG 413 2HG ARG 413 1.678 10.799 -8.904 48 HG3 ARG 413 1HG ARG 413 0.915 10.540 -10.472 49 HD2 ARG 413 2HD ARG 413 -1.096 10.380 -8.468 50 HD3 ARG 413 1HD ARG 413 -0.141 11.831 -8.169 51 HE ARG 413 HE ARG 413 -0.616 12.009 -10.801 52 HH11 ARG 413 1HH1 ARG 413 -2.740 11.372 -8.104 53 HH12 ARG 413 2HH1 ARG 413 -4.119 12.095 -8.860 54 HH21 ARG 413 1HH2 ARG 413 -2.429 12.963 -11.794 55 HH22 ARG 413 2HH2 ARG 413 -3.944 13.000 -10.952 56 H TRP 414 H TRP 414 2.069 7.909 -5.921 57 HA TRP 414 HA TRP 414 1.214 5.106 -6.213 58 HB2 TRP 414 2HB TRP 414 2.988 6.241 -4.044 59 HB3 TRP 414 1HB TRP 414 2.586 4.545 -4.302 60 HD1 TRP 414 HD TRP 414 4.593 7.397 -5.947 61 HE1 TRP 414 1HE TRP 414 6.401 6.346 -7.448 62 HE3 TRP 414 3HE TRP 414 3.262 2.487 -5.492 63 HZ2 TRP 414 2HZ TRP 414 7.155 3.776 -8.330 64 HZ3 TRP 414 3HZ TRP 414 4.578 0.789 -6.698 65 HH2 TRP 414 HH TRP 414 6.486 1.423 -8.084 66 H ARG 415 H ARG 415 -0.360 4.320 -4.916 67 HA ARG 415 HA ARG 415 -1.622 6.214 -3.042 68 HB2 ARG 415 2HB ARG 415 -3.055 5.998 -4.945 69 HB3 ARG 415 1HB ARG 415 -2.883 4.250 -4.955 70 HG2 ARG 415 2HG ARG 415 -3.940 5.180 -2.434 71 HG3 ARG 415 1HG ARG 415 -4.922 5.732 -3.793 72 HD2 ARG 415 2HD ARG 415 -4.978 3.389 -4.625 73 HD3 ARG 415 1HD ARG 415 -4.130 2.891 -3.164 74 HE ARG 415 HE ARG 415 -6.118 2.971 -2.061 75 HH11 ARG 415 1HH1 ARG 415 -6.380 4.961 -4.916 76 HH12 ARG 415 2HH1 ARG 415 -8.060 5.300 -4.677 77 HH21 ARG 415 1HH2 ARG 415 -8.330 3.420 -1.744 78 HH22 ARG 415 2HH2 ARG 415 -9.167 4.427 -2.878 79 H LYS 416 H LYS 416 -1.756 5.546 -1.006 80 HA LYS 416 HA LYS 416 -0.689 3.120 -0.102 81 HB2 LYS 416 2HB LYS 416 -0.980 5.240 1.232 82 HB3 LYS 416 1HB LYS 416 -2.685 4.840 1.376 83 HG2 LYS 416 2HG LYS 416 -1.783 2.588 2.335 84 HG3 LYS 416 1HG LYS 416 -0.320 3.528 2.624 85 HD2 LYS 416 2HD LYS 416 -2.945 4.653 3.477 86 HD3 LYS 416 1HD LYS 416 -2.220 3.366 4.442 87 HE2 LYS 416 2HE LYS 416 -1.036 4.956 5.460 88 HE3 LYS 416 1HE LYS 416 -0.121 5.110 3.962 89 HZ1 LYS 416 3HZ LYS 416 -2.555 6.569 3.821 90 HZ2 LYS 416 1HZ LYS 416 -0.965 7.116 3.626 91 HZ3 LYS 416 2HZ LYS 416 -1.653 7.049 5.170 92 H TYR 417 H TYR 417 -1.535 1.146 0.278 93 HA TYR 417 HA TYR 417 -4.430 0.828 0.270 94 HB2 TYR 417 2HB TYR 417 -4.634 -0.466 -1.588 95 HB3 TYR 417 1HB TYR 417 -3.257 0.500 -2.093 96 HD1 TYR 417 1HD TYR 417 -4.033 -2.737 -0.382 97 HD2 TYR 417 2HD TYR 417 -1.392 -0.582 -2.927 98 HE1 TYR 417 1HE TYR 417 -2.762 -4.800 -0.798 99 HE2 TYR 417 2HE TYR 417 -0.108 -2.637 -3.344 100 HH TYR 417 HH TYR 417 -1.073 -5.504 -3.018 101 H GLY 418 H GLY 418 -5.111 -0.490 1.753 102 HA2 GLY 418 2HA GLY 418 -5.209 -2.227 3.256 103 HA3 GLY 418 1HA GLY 418 -3.813 -2.930 2.458 104 H GLN 419 H GLN 419 -3.894 -3.275 5.063 105 HA GLN 419 HA GLN 419 -1.525 -2.076 6.001 106 HB2 GLN 419 2HB GLN 419 -3.143 -0.159 6.278 107 HB3 GLN 419 1HB GLN 419 -4.000 -1.143 7.458 108 HG2 GLN 419 2HG GLN 419 -2.601 -0.526 9.052 109 HG3 GLN 419 1HG GLN 419 -1.222 -1.098 8.115 110 HE21 GLN 419 1HE2 GLN 419 -2.585 1.537 9.547 111 HE22 GLN 419 2HE2 GLN 419 -1.758 2.789 8.689 112 H LYS 420 H LYS 420 -0.674 -3.261 7.614 113 HA LYS 420 HA LYS 420 -2.255 -4.806 9.435 114 HB2 LYS 420 2HB LYS 420 -1.717 -5.979 6.934 115 HB3 LYS 420 1HB LYS 420 -0.634 -6.765 8.074 116 HG2 LYS 420 2HG LYS 420 -3.088 -6.680 9.379 117 HG3 LYS 420 1HG LYS 420 -3.477 -7.085 7.706 118 HD2 LYS 420 2HD LYS 420 -1.491 -8.517 9.471 119 HD3 LYS 420 1HD LYS 420 -3.096 -9.101 9.022 120 HE2 LYS 420 2HE LYS 420 -2.271 -8.843 6.595 121 HE3 LYS 420 1HE LYS 420 -0.658 -8.775 7.306 122 HZ1 LYS 420 3HZ LYS 420 -2.609 -11.002 7.498 123 HZ2 LYS 420 1HZ LYS 420 -1.179 -10.929 8.401 124 HZ3 LYS 420 2HZ LYS 420 -1.111 -11.017 6.714 125 H VAL 421 H VAL 421 -0.971 -5.986 10.992 126 HA VAL 421 HA VAL 421 1.773 -4.936 11.174 127 HB VAL 421 HB VAL 421 0.309 -4.177 12.989 128 HG11 VAL 421 1HG1 VAL 421 -1.339 -5.789 13.246 129 HG12 VAL 421 2HG1 VAL 421 -0.347 -6.009 14.687 130 HG13 VAL 421 3HG1 VAL 421 -0.177 -7.113 13.322 131 HG21 VAL 421 3HG2 VAL 421 2.463 -6.137 13.764 132 HG22 VAL 421 1HG2 VAL 421 1.683 -5.044 14.908 133 HG23 VAL 421 2HG2 VAL 421 2.610 -4.391 13.558 134 H VAL 422 H VAL 422 3.459 -6.315 11.762 135 HA VAL 422 HA VAL 422 2.809 -9.188 11.723 136 HB VAL 422 HB VAL 422 5.067 -9.487 10.581 137 HG11 VAL 422 1HG1 VAL 422 3.117 -9.946 9.335 138 HG12 VAL 422 2HG1 VAL 422 4.089 -8.878 8.322 139 HG13 VAL 422 3HG1 VAL 422 2.704 -8.236 9.205 140 HG21 VAL 422 3HG2 VAL 422 5.577 -6.967 11.079 141 HG22 VAL 422 1HG2 VAL 422 4.718 -6.705 9.562 142 HG23 VAL 422 2HG2 VAL 422 6.160 -7.719 9.594 143 H LYS 423 H LYS 423 4.163 -10.581 12.859 144 HA LYS 423 HA LYS 423 5.324 -9.456 15.239 145 HB2 LYS 423 2HB LYS 423 5.636 -11.777 15.931 146 HB3 LYS 423 1HB LYS 423 4.002 -11.527 15.330 147 HG2 LYS 423 2HG LYS 423 5.141 -12.347 13.067 148 HG3 LYS 423 1HG LYS 423 6.210 -13.151 14.219 149 HD2 LYS 423 2HD LYS 423 3.347 -13.389 14.828 150 HD3 LYS 423 1HD LYS 423 3.848 -14.165 13.325 151 HE2 LYS 423 2HE LYS 423 5.545 -15.429 14.515 152 HE3 LYS 423 1HE LYS 423 5.131 -14.606 16.020 153 HZ1 LYS 423 3HZ LYS 423 3.027 -15.651 16.061 154 HZ2 LYS 423 1HZ LYS 423 4.153 -16.871 15.732 155 HZ3 LYS 423 2HZ LYS 423 3.195 -16.244 14.487 156 H GLY 424 H GLY 424 7.496 -10.727 15.939 157 HA2 GLY 424 2HA GLY 424 9.767 -10.965 15.584 158 HA3 GLY 424 1HA GLY 424 9.409 -11.203 13.879 159 H ASN 425 H ASN 425 7.903 -8.497 14.275 160 HA ASN 425 HA ASN 425 9.967 -6.547 14.549 161 HB2 ASN 425 2HB ASN 425 10.337 -7.391 12.219 162 HB3 ASN 425 1HB ASN 425 8.679 -6.949 11.831 163 HD21 ASN 425 1HD2 ASN 425 8.136 -4.792 11.596 164 HD22 ASN 425 2HD2 ASN 425 9.326 -3.550 11.431 165 HA PRO 426 HA PRO 426 5.341 -6.075 15.915 166 HB2 PRO 426 2HB PRO 426 7.132 -4.331 17.570 167 HB3 PRO 426 1HB PRO 426 5.664 -5.191 18.039 168 HG2 PRO 426 2HG PRO 426 8.174 -6.146 18.509 169 HG3 PRO 426 1HG PRO 426 6.757 -7.185 18.299 170 HD2 PRO 426 2HD PRO 426 9.061 -6.907 16.576 171 HD3 PRO 426 1HD PRO 426 7.694 -8.026 16.420 172 H TYR 427 H TYR 427 5.462 -5.047 13.612 173 HA TYR 427 HA TYR 427 4.915 -2.212 14.012 174 HB2 TYR 427 2HB TYR 427 7.184 -3.211 12.323 175 HB3 TYR 427 1HB TYR 427 6.373 -1.702 11.922 176 HD1 TYR 427 1HD TYR 427 8.209 -3.442 14.650 177 HD2 TYR 427 2HD TYR 427 6.931 0.286 13.042 178 HE1 TYR 427 1HE TYR 427 9.608 -2.262 16.289 179 HE2 TYR 427 2HE TYR 427 8.328 1.477 14.678 180 HH TYR 427 HH TYR 427 10.678 -0.105 16.585 181 HA PRO 428 HA PRO 428 1.937 -3.044 10.860 182 HB2 PRO 428 2HB PRO 428 1.058 -0.566 10.396 183 HB3 PRO 428 1HB PRO 428 0.795 -1.347 11.961 184 HG2 PRO 428 2HG PRO 428 2.826 0.703 11.181 185 HG3 PRO 428 1HG PRO 428 1.882 0.572 12.676 186 HD2 PRO 428 2HD PRO 428 4.502 -0.273 12.376 187 HD3 PRO 428 1HD PRO 428 3.387 -0.849 13.628 188 H ARG 429 H ARG 429 2.243 -3.530 8.786 189 HA ARG 429 HA ARG 429 4.166 -1.999 7.212 190 HB2 ARG 429 2HB ARG 429 4.368 -4.460 7.287 191 HB3 ARG 429 1HB ARG 429 2.762 -4.605 6.585 192 HG2 ARG 429 2HG ARG 429 3.525 -3.551 4.544 193 HG3 ARG 429 1HG ARG 429 5.124 -3.297 5.248 194 HD2 ARG 429 2HD ARG 429 4.945 -5.277 3.720 195 HD3 ARG 429 1HD ARG 429 5.543 -5.635 5.339 196 HE ARG 429 HE ARG 429 2.693 -5.983 4.912 197 HH11 ARG 429 1HH1 ARG 429 5.843 -7.487 5.058 198 HH12 ARG 429 2HH1 ARG 429 5.208 -9.072 5.340 199 HH21 ARG 429 1HH2 ARG 429 1.862 -8.068 5.280 200 HH22 ARG 429 2HH2 ARG 429 2.950 -9.403 5.464 201 H SER 430 H SER 430 3.612 -1.556 4.910 202 HA SER 430 HA SER 430 0.746 -1.111 4.472 203 HB2 SER 430 2HB SER 430 2.862 1.008 4.029 204 HB3 SER 430 1HB SER 430 1.139 1.172 3.694 205 HG SER 430 HG SER 430 0.807 0.798 5.974 206 H TYR 431 H TYR 431 0.095 -1.130 2.302 207 HA TYR 431 HA TYR 431 2.191 -2.009 0.429 208 HB2 TYR 431 2HB TYR 431 -0.748 -2.633 0.162 209 HB3 TYR 431 1HB TYR 431 0.601 -3.375 -0.688 210 HD1 TYR 431 1HD TYR 431 2.315 -4.662 0.787 211 HD2 TYR 431 2HD TYR 431 -1.630 -3.683 2.042 212 HE1 TYR 431 1HE TYR 431 2.416 -6.447 2.475 213 HE2 TYR 431 2HE TYR 431 -1.538 -5.465 3.736 214 HH TYR 431 HH TYR 431 -0.200 -7.697 3.989 215 H TYR 432 H TYR 432 2.749 -0.336 -0.785 216 HA TYR 432 HA TYR 432 0.709 1.577 -1.660 217 HB2 TYR 432 2HB TYR 432 3.673 1.633 -1.375 218 HB3 TYR 432 1HB TYR 432 2.949 2.674 -2.593 219 HD1 TYR 432 1HD TYR 432 1.104 4.281 -1.796 220 HD2 TYR 432 2HD TYR 432 3.778 2.289 0.843 221 HE1 TYR 432 1HE TYR 432 0.613 5.947 -0.050 222 HE2 TYR 432 2HE TYR 432 3.300 3.944 2.597 223 HH TYR 432 HH TYR 432 1.370 6.798 1.959 224 H LYS 433 H LYS 433 -0.096 1.507 -3.668 225 HA LYS 433 HA LYS 433 1.377 -0.054 -5.687 226 HB2 LYS 433 2HB LYS 433 -0.761 -0.678 -6.664 227 HB3 LYS 433 1HB LYS 433 -0.708 -1.147 -4.970 228 HG2 LYS 433 2HG LYS 433 -2.035 0.827 -4.387 229 HG3 LYS 433 1HG LYS 433 -2.102 1.275 -6.093 230 HD2 LYS 433 2HD LYS 433 -2.950 -1.351 -6.092 231 HD3 LYS 433 1HD LYS 433 -3.658 -0.695 -4.615 232 HE2 LYS 433 2HE LYS 433 -4.613 1.160 -5.919 233 HE3 LYS 433 1HE LYS 433 -3.936 0.458 -7.389 234 HZ1 LYS 433 3HZ LYS 433 -6.354 -0.040 -6.865 235 HZ2 LYS 433 1HZ LYS 433 -5.779 -1.067 -5.650 236 HZ3 LYS 433 2HZ LYS 433 -5.374 -1.359 -7.265 237 H CYS 434 H CYS 434 1.973 0.974 -7.482 238 HA CYS 434 HA CYS 434 1.212 3.729 -7.874 239 HB2 CYS 434 2HB CYS 434 3.445 3.485 -8.398 240 HB3 CYS 434 1HB CYS 434 3.233 1.860 -9.030 241 H THR 435 H THR 435 -0.356 4.421 -9.164 242 HA THR 435 HA THR 435 -1.617 2.505 -10.995 243 HB THR 435 HB THR 435 -3.287 3.357 -9.558 244 HG1 THR 435 1HG THR 435 -4.471 4.837 -11.014 245 HG21 THR 435 3HG2 THR 435 -3.425 6.073 -9.650 246 HG22 THR 435 1HG2 THR 435 -1.680 5.816 -9.671 247 HG23 THR 435 2HG2 THR 435 -2.652 5.156 -8.356 248 H THR 436 H THR 436 -2.219 3.292 -13.154 249 HA THR 436 HA THR 436 -1.378 5.775 -14.146 250 HB THR 436 HB THR 436 0.337 3.759 -15.443 251 HG1 THR 436 1HG THR 436 1.191 4.819 -12.953 252 HG21 THR 436 3HG2 THR 436 1.512 6.250 -14.462 253 HG22 THR 436 1HG2 THR 436 0.103 6.481 -15.498 254 HG23 THR 436 2HG2 THR 436 1.491 5.568 -16.088 255 HA PRO 437 HA PRO 437 -4.474 4.365 -17.030 256 HB2 PRO 437 2HB PRO 437 -2.977 6.129 -18.917 257 HB3 PRO 437 1HB PRO 437 -4.710 6.061 -18.577 258 HG2 PRO 437 2HG PRO 437 -3.213 8.021 -17.579 259 HG3 PRO 437 1HG PRO 437 -4.508 7.286 -16.617 260 HD2 PRO 437 2HD PRO 437 -1.556 6.932 -16.408 261 HD3 PRO 437 1HD PRO 437 -2.790 6.925 -15.131 262 H GLY 438 H GLY 438 -3.564 2.196 -17.123 263 HA2 GLY 438 2HA GLY 438 -3.194 0.633 -18.938 264 HA3 GLY 438 1HA GLY 438 -2.025 1.766 -19.599 265 H CYS 439 H CYS 439 -1.596 1.778 -16.315 266 HA CYS 439 HA CYS 439 0.180 -0.542 -16.292 267 HB2 CYS 439 2HB CYS 439 1.953 0.762 -16.693 268 HB3 CYS 439 1HB CYS 439 1.029 2.228 -16.451 269 H GLY 440 H GLY 440 0.969 -1.139 -14.230 270 HA2 GLY 440 2HA GLY 440 -0.099 0.055 -11.835 271 HA3 GLY 440 1HA GLY 440 -0.851 -1.481 -12.242 272 H VAL 441 H VAL 441 1.648 -0.028 -10.579 273 HA VAL 441 HA VAL 441 3.068 -2.600 -10.320 274 HB VAL 441 HB VAL 441 4.234 0.167 -10.592 275 HG11 VAL 441 1HG1 VAL 441 5.606 -2.257 -9.436 276 HG12 VAL 441 2HG1 VAL 441 5.273 -0.737 -8.608 277 HG13 VAL 441 3HG1 VAL 441 6.423 -0.781 -9.943 278 HG21 VAL 441 3HG2 VAL 441 5.622 -0.876 -12.276 279 HG22 VAL 441 1HG2 VAL 441 3.922 -1.208 -12.609 280 HG23 VAL 441 2HG2 VAL 441 4.940 -2.457 -11.892 281 H ARG 442 H ARG 442 4.187 -2.831 -8.186 282 HA ARG 442 HA ARG 442 2.951 -1.158 -6.108 283 HB2 ARG 442 2HB ARG 442 3.040 -4.171 -6.200 284 HB3 ARG 442 1HB ARG 442 2.693 -3.262 -4.736 285 HG2 ARG 442 2HG ARG 442 0.719 -2.312 -5.744 286 HG3 ARG 442 1HG ARG 442 1.090 -3.099 -7.279 287 HD2 ARG 442 2HD ARG 442 0.928 -4.849 -4.906 288 HD3 ARG 442 1HD ARG 442 -0.587 -4.130 -5.450 289 HE ARG 442 HE ARG 442 0.368 -5.104 -7.737 290 HH11 ARG 442 1HH1 ARG 442 0.140 -6.568 -4.573 291 HH12 ARG 442 2HH1 ARG 442 -0.016 -8.175 -5.193 292 HH21 ARG 442 1HH2 ARG 442 0.156 -7.219 -8.549 293 HH22 ARG 442 2HH2 ARG 442 -0.009 -8.546 -7.448 294 H LYS 443 H LYS 443 3.988 -1.286 -4.024 295 HA LYS 443 HA LYS 443 6.670 -2.363 -3.891 296 HB2 LYS 443 2HB LYS 443 7.810 -0.327 -3.494 297 HB3 LYS 443 1HB LYS 443 6.835 -0.041 -4.925 298 HG2 LYS 443 2HG LYS 443 5.240 1.212 -3.667 299 HG3 LYS 443 1HG LYS 443 6.029 0.776 -2.148 300 HD2 LYS 443 2HD LYS 443 7.716 2.269 -2.437 301 HD3 LYS 443 1HD LYS 443 7.701 2.108 -4.194 302 HE2 LYS 443 2HE LYS 443 5.438 3.324 -4.075 303 HE3 LYS 443 1HE LYS 443 5.924 3.769 -2.440 304 HZ1 LYS 443 3HZ LYS 443 7.354 5.277 -3.208 305 HZ2 LYS 443 1HZ LYS 443 6.549 5.137 -4.690 306 HZ3 LYS 443 2HZ LYS 443 7.963 4.253 -4.406 307 H HIS 444 H HIS 444 7.509 -2.311 -1.659 308 HA HIS 444 HA HIS 444 5.295 -2.104 0.279 309 HB2 HIS 444 2HB HIS 444 7.584 -4.047 0.102 310 HB3 HIS 444 1HB HIS 444 6.678 -3.818 1.593 311 HD1 HIS 444 1HD HIS 444 5.926 -4.647 -2.047 312 HD2 HIS 444 2HD HIS 444 4.540 -5.462 1.784 313 HE1 HIS 444 1HE HIS 444 4.067 -6.313 -2.346 314 HE2 HIS 444 2HE HIS 444 3.181 -6.718 -0.023 315 H VAL 445 H VAL 445 5.650 -1.247 2.304 316 HA VAL 445 HA VAL 445 8.249 0.067 2.756 317 HB VAL 445 HB VAL 445 5.520 1.278 3.250 318 HG11 VAL 445 1HG1 VAL 445 6.632 3.241 4.023 319 HG12 VAL 445 2HG1 VAL 445 8.216 2.569 3.631 320 HG13 VAL 445 3HG1 VAL 445 7.261 1.873 4.941 321 HG21 VAL 445 3HG2 VAL 445 5.810 2.614 1.405 322 HG22 VAL 445 1HG2 VAL 445 6.571 1.119 0.857 323 HG23 VAL 445 2HG2 VAL 445 7.566 2.457 1.431 324 H GLU 446 H GLU 446 9.127 -0.584 4.624 325 HA GLU 446 HA GLU 446 7.379 -1.174 6.913 326 HB2 GLU 446 2HB GLU 446 8.375 -3.187 5.465 327 HB3 GLU 446 1HB GLU 446 9.776 -2.888 6.481 328 HG2 GLU 446 2HG GLU 446 8.783 -3.702 8.329 329 HG3 GLU 446 1HG GLU 446 7.190 -3.094 7.876 330 H ARG 447 H ARG 447 8.392 -0.954 8.981 331 HA ARG 447 HA ARG 447 10.803 0.734 8.923 332 HB2 ARG 447 2HB ARG 447 8.732 0.559 11.115 333 HB3 ARG 447 1HB ARG 447 10.040 1.727 10.985 334 HG2 ARG 447 2HG ARG 447 8.650 3.096 9.946 335 HG3 ARG 447 1HG ARG 447 8.579 1.949 8.607 336 HD2 ARG 447 2HD ARG 447 6.817 0.748 10.127 337 HD3 ARG 447 1HD ARG 447 6.688 2.335 10.884 338 HE ARG 447 HE ARG 447 6.465 2.353 8.008 339 HH11 ARG 447 1HH1 ARG 447 4.746 2.082 11.035 340 HH12 ARG 447 2HH1 ARG 447 3.234 2.591 10.364 341 HH21 ARG 447 1HH2 ARG 447 4.476 3.023 7.127 342 HH22 ARG 447 2HH2 ARG 447 3.079 3.123 8.148 343 H ALA 448 H ALA 448 12.612 0.035 9.885 344 HA ALA 448 HA ALA 448 12.974 -2.577 10.725 345 HB1 ALA 448 1HB ALA 448 15.163 -2.004 11.199 346 HB2 ALA 448 2HB ALA 448 14.730 -0.386 11.749 347 HB3 ALA 448 3HB ALA 448 14.687 -0.773 10.030 348 H ALA 449 H ALA 449 12.370 -3.628 12.439 349 HA ALA 449 HA ALA 449 10.932 -2.798 14.575 350 HB1 ALA 449 1HB ALA 449 12.503 -4.801 15.690 351 HB2 ALA 449 2HB ALA 449 12.500 -5.142 13.960 352 HB3 ALA 449 3HB ALA 449 10.976 -5.002 14.832 353 H THR 450 H THR 450 14.483 -3.015 14.525 354 HA THR 450 HA THR 450 14.707 -1.872 17.168 355 HB THR 450 HB THR 450 17.231 -1.728 16.273 356 HG1 THR 450 1HG THR 450 17.551 -2.874 14.516 357 HG21 THR 450 3HG2 THR 450 17.484 -4.117 17.064 358 HG22 THR 450 1HG2 THR 450 15.727 -4.165 17.212 359 HG23 THR 450 2HG2 THR 450 16.662 -3.026 18.181 360 H ASP 451 H ASP 451 14.904 -0.807 13.870 361 HA ASP 451 HA ASP 451 15.520 1.929 14.786 362 HB2 ASP 451 2HB ASP 451 16.881 0.491 12.920 363 HB3 ASP 451 1HB ASP 451 15.738 1.357 11.900 364 HA PRO 452 HA PRO 452 11.084 2.173 13.541 365 HB2 PRO 452 2HB PRO 452 11.176 4.490 15.357 366 HB3 PRO 452 1HB PRO 452 10.085 3.104 15.363 367 HG2 PRO 452 2HG PRO 452 11.992 3.417 17.231 368 HG3 PRO 452 1HG PRO 452 11.511 1.817 16.637 369 HD2 PRO 452 2HD PRO 452 13.918 3.455 15.946 370 HD3 PRO 452 1HD PRO 452 13.775 1.703 16.198 371 H LYS 453 H LYS 453 13.763 4.342 13.489 372 HA LYS 453 HA LYS 453 12.363 6.338 11.899 373 HB2 LYS 453 2HB LYS 453 14.484 7.577 11.983 374 HB3 LYS 453 1HB LYS 453 13.933 7.126 13.590 375 HG2 LYS 453 2HG LYS 453 15.816 6.037 13.999 376 HG3 LYS 453 1HG LYS 453 15.650 5.087 12.522 377 HD2 LYS 453 2HD LYS 453 17.084 6.392 11.373 378 HD3 LYS 453 1HD LYS 453 16.489 7.876 12.120 379 HE2 LYS 453 2HE LYS 453 18.853 7.329 12.682 380 HE3 LYS 453 1HE LYS 453 17.798 7.489 14.085 381 HZ1 LYS 453 3HZ LYS 453 19.369 5.537 14.076 382 HZ2 LYS 453 1HZ LYS 453 18.409 4.866 12.856 383 HZ3 LYS 453 2HZ LYS 453 17.745 5.175 14.381 384 H ALA 454 H ALA 454 14.353 3.565 11.466 385 HA ALA 454 HA ALA 454 15.189 4.315 8.789 386 HB1 ALA 454 1HB ALA 454 15.545 1.575 9.930 387 HB2 ALA 454 2HB ALA 454 16.523 2.914 10.532 388 HB3 ALA 454 3HB ALA 454 16.586 2.474 8.825 389 H VAL 455 H VAL 455 14.154 3.780 6.971 390 HA VAL 455 HA VAL 455 11.965 1.814 7.154 391 HB VAL 455 HB VAL 455 12.060 4.169 5.269 392 HG11 VAL 455 1HG1 VAL 455 10.725 2.192 4.573 393 HG12 VAL 455 2HG1 VAL 455 9.759 3.647 4.814 394 HG13 VAL 455 3HG1 VAL 455 9.761 2.377 6.038 395 HG21 VAL 455 3HG2 VAL 455 11.883 5.083 7.464 396 HG22 VAL 455 1HG2 VAL 455 10.690 3.875 7.936 397 HG23 VAL 455 2HG2 VAL 455 10.270 5.112 6.753 398 H VAL 456 H VAL 456 11.654 0.405 5.433 399 HA VAL 456 HA VAL 456 13.798 0.352 3.415 400 HB VAL 456 HB VAL 456 14.248 -1.854 3.711 401 HG11 VAL 456 1HG1 VAL 456 14.216 -0.551 6.018 402 HG12 VAL 456 2HG1 VAL 456 14.642 -2.258 5.915 403 HG13 VAL 456 3HG1 VAL 456 13.016 -1.783 6.409 404 HG21 VAL 456 3HG2 VAL 456 12.618 -3.542 4.544 405 HG22 VAL 456 1HG2 VAL 456 12.105 -2.723 3.068 406 HG23 VAL 456 2HG2 VAL 456 11.403 -2.268 4.621 407 H THR 457 H THR 457 13.058 0.495 1.383 408 HA THR 457 HA THR 457 10.245 -0.215 0.907 409 HB THR 457 HB THR 457 11.771 1.571 -0.942 410 HG1 THR 457 1HG THR 457 10.713 2.255 1.603 411 HG21 THR 457 3HG2 THR 457 8.887 1.598 -0.057 412 HG22 THR 457 1HG2 THR 457 9.480 0.726 -1.470 413 HG23 THR 457 2HG2 THR 457 9.600 2.484 -1.405 414 H THR 458 H THR 458 9.712 -1.619 -0.656 415 HA THR 458 HA THR 458 11.873 -2.665 -2.370 416 HB THR 458 HB THR 458 9.585 -4.455 -1.827 417 HG1 THR 458 1HG THR 458 11.486 -3.773 0.184 418 HG21 THR 458 3HG2 THR 458 12.146 -4.668 -2.887 419 HG22 THR 458 1HG2 THR 458 11.058 -5.997 -2.493 420 HG23 THR 458 2HG2 THR 458 12.255 -5.462 -1.315 421 H TYR 459 H TYR 459 11.471 -2.726 -4.522 422 HA TYR 459 HA TYR 459 8.816 -1.828 -5.400 423 HB2 TYR 459 2HB TYR 459 11.561 -1.598 -6.594 424 HB3 TYR 459 1HB TYR 459 10.128 -1.423 -7.603 425 HD1 TYR 459 2HD TYR 459 8.503 0.411 -7.116 426 HD2 TYR 459 1HD TYR 459 12.270 0.157 -5.159 427 HE1 TYR 459 2HE TYR 459 8.311 2.770 -6.451 428 HE2 TYR 459 1HE TYR 459 12.086 2.513 -4.483 429 HH TYR 459 HH TYR 459 9.791 4.630 -5.802 430 H GLU 460 H GLU 460 7.490 -3.248 -6.290 431 HA GLU 460 HA GLU 460 8.636 -5.676 -7.504 432 HB2 GLU 460 2HB GLU 460 6.099 -5.235 -5.949 433 HB3 GLU 460 1HB GLU 460 6.306 -6.634 -6.994 434 HG2 GLU 460 2HG GLU 460 7.287 -7.681 -5.316 435 HG3 GLU 460 1HG GLU 460 8.609 -6.519 -5.410 436 H GLY 461 H GLY 461 8.615 -5.442 -9.657 437 HA2 GLY 461 2HA GLY 461 7.291 -5.670 -11.648 438 HA3 GLY 461 1HA GLY 461 6.059 -4.671 -10.896 439 H LYS 462 H LYS 462 7.250 -4.372 -13.492 440 HA LYS 462 HA LYS 462 8.713 -1.836 -13.199 441 HB2 LYS 462 2HB LYS 462 9.551 -3.911 -14.601 442 HB3 LYS 462 1HB LYS 462 8.449 -3.273 -15.811 443 HG2 LYS 462 2HG LYS 462 9.874 -1.051 -15.025 444 HG3 LYS 462 1HG LYS 462 11.077 -2.341 -14.999 445 HD2 LYS 462 2HD LYS 462 11.005 -2.637 -17.245 446 HD3 LYS 462 1HD LYS 462 9.281 -2.276 -17.343 447 HE2 LYS 462 2HE LYS 462 9.744 0.098 -17.105 448 HE3 LYS 462 1HE LYS 462 11.466 -0.238 -16.929 449 HZ1 LYS 462 3HZ LYS 462 11.700 -0.693 -19.134 450 HZ2 LYS 462 1HZ LYS 462 10.444 0.438 -19.228 451 HZ3 LYS 462 2HZ LYS 462 10.103 -1.215 -19.330 452 H HIS 463 H HIS 463 8.152 -0.100 -14.729 453 HA HIS 463 HA HIS 463 5.258 -0.067 -15.224 454 HB2 HIS 463 2HB HIS 463 7.099 2.323 -15.254 455 HB3 HIS 463 1HB HIS 463 5.345 2.307 -15.104 456 HD2 HIS 463 2HD HIS 463 8.449 1.305 -12.878 457 HE1 HIS 463 1HE HIS 463 5.143 2.210 -10.377 458 HE2 HIS 463 2HE HIS 463 7.609 1.708 -10.465 459 H ASN 464 H ASN 464 4.428 0.229 -17.222 460 HA ASN 464 HA ASN 464 6.320 0.147 -19.452 461 HB2 ASN 464 2HB ASN 464 4.163 -0.337 -20.776 462 HB3 ASN 464 1HB ASN 464 4.743 -1.583 -19.677 463 HD21 ASN 464 1HD2 ASN 464 2.078 0.010 -20.695 464 HD22 ASN 464 2HD2 ASN 464 1.055 -0.215 -19.320 465 H HIS 465 H HIS 465 6.117 2.606 -18.147 466 HA HIS 465 HA HIS 465 5.223 4.271 -20.347 467 HB2 HIS 465 2HB HIS 465 3.898 5.757 -18.908 468 HB3 HIS 465 1HB HIS 465 3.223 4.131 -18.925 469 HD1 HIS 465 1HD HIS 465 5.458 6.269 -16.710 470 HD2 HIS 465 2HD HIS 465 2.802 3.093 -16.466 471 HE1 HIS 465 1HE HIS 465 5.206 5.793 -14.251 472 H ASP 466 H ASP 466 6.206 6.326 -20.368 473 HA ASP 466 HA ASP 466 8.738 6.433 -19.049 474 HB2 ASP 466 2HB ASP 466 8.522 7.341 -21.288 475 HB3 ASP 466 1HB ASP 466 7.284 8.471 -20.753 476 H LEU 467 H LEU 467 6.533 9.187 -19.150 477 HA LEU 467 HA LEU 467 6.459 9.263 -16.226 478 HB2 LEU 467 2HB LEU 467 8.072 10.942 -17.812 479 HB3 LEU 467 1HB LEU 467 6.711 11.921 -17.313 480 HG LEU 467 HG LEU 467 8.871 11.890 -15.881 481 HD11 LEU 467 1HD1 LEU 467 7.491 13.106 -14.657 482 HD12 LEU 467 2HD1 LEU 467 6.987 11.628 -13.841 483 HD13 LEU 467 3HD1 LEU 467 6.093 12.210 -15.248 484 HD21 LEU 467 3HD2 LEU 467 8.485 9.240 -15.784 485 HD22 LEU 467 1HD2 LEU 467 7.658 9.737 -14.308 486 HD23 LEU 467 2HD2 LEU 467 9.352 10.154 -14.554 487 HA PRO 468 HA PRO 468 2.214 10.115 -17.308 488 HB2 PRO 468 2HB PRO 468 1.235 10.446 -14.813 489 HB3 PRO 468 1HB PRO 468 1.670 8.859 -15.458 490 HG2 PRO 468 2HG PRO 468 3.201 10.638 -13.608 491 HG3 PRO 468 1HG PRO 468 2.998 8.878 -13.559 492 HD2 PRO 468 2HD PRO 468 5.225 10.125 -14.542 493 HD3 PRO 468 1HD PRO 468 4.685 8.524 -15.073 494 H ALA 469 H ALA 469 1.800 12.018 -18.237 495 HA ALA 469 HA ALA 469 2.695 14.519 -17.316 496 HB1 ALA 469 1HB ALA 469 0.917 15.391 -18.945 497 HB2 ALA 469 2HB ALA 469 0.623 13.693 -19.322 498 HB3 ALA 469 3HB ALA 469 2.217 14.394 -19.598 499 H5' DC 3 H5' DC 3 -3.035 16.064 -6.437 500 H5'' DC 3 H5" DC 3 -1.962 14.818 -7.103 501 H4' DC 3 H4' DC 3 -2.326 14.078 -4.960 502 H3' DC 3 H3' DC 3 -4.176 12.659 -6.830 503 H2' DC 3 H2' DC 3 -5.415 11.741 -5.057 504 H2'' DC 3 H2" DC 3 -4.022 11.704 -3.988 505 H1' DC 3 H1' DC 3 -4.600 13.696 -3.036 506 H41 DC 3 1H4 DC 3 -10.768 15.114 -3.113 507 H42 DC 3 2H4 DC 3 -10.994 14.286 -4.639 508 H5 DC 3 5H DC 3 -9.166 13.289 -5.878 509 H6 DC 3 6H DC 3 -6.759 12.881 -5.899 510 H5' DC 4 H5' DC 4 -1.259 11.376 -3.600 511 H5'' DC 4 H5" DC 4 -0.986 9.652 -3.272 512 H4' DC 4 H4' DC 4 -1.506 11.251 -1.320 513 H3' DC 4 H3' DC 4 -1.751 8.560 -1.438 514 H2' DC 4 H2' DC 4 -4.041 8.438 -2.128 515 H2'' DC 4 H2" DC 4 -4.239 8.427 -0.381 516 H1' DC 4 H1' DC 4 -4.696 10.778 -0.279 517 H41 DC 4 1H4 DC 4 -10.045 11.089 -3.633 518 H42 DC 4 2H4 DC 4 -9.295 10.368 -5.039 519 H5 DC 4 5H DC 4 -6.968 9.693 -5.087 520 H6 DC 4 6H DC 4 -4.898 9.581 -3.802 521 H5' DT 5 H5' DT 5 -3.683 10.402 1.981 522 H5'' DT 5 H5" DT 5 -2.571 10.304 3.362 523 H4' DT 5 H4' DT 5 -4.491 10.521 4.512 524 H3' DT 5 H3' DT 5 -3.648 7.974 4.723 525 H2' DT 5 H2' DT 5 -4.987 6.979 3.011 526 H2'' DT 5 H2" DT 5 -6.067 6.795 4.386 527 H1' DT 5 H1' DT 5 -7.362 8.711 3.811 528 H3 DT 5 3H DT 5 -9.721 8.149 0.053 529 H71 DT 5 1H7 DT 5 -5.609 7.215 -2.222 530 H72 DT 5 2H7 DT 5 -4.687 6.457 -0.903 531 H73 DT 5 3H7 DT 5 -6.072 5.605 -1.623 532 H6 DT 5 6H DT 5 -5.144 7.400 1.163 533 H5' DT 6 H5' DT 6 -7.296 7.893 7.438 534 H5'' DT 6 H5" DT 6 -6.887 7.248 9.042 535 H4' DT 6 H4' DT 6 -8.485 5.759 8.531 536 H3' DT 6 H3' DT 6 -5.993 4.636 7.353 537 H2' DT 6 H2' DT 6 -7.144 3.222 5.893 538 H2'' DT 6 H2" DT 6 -8.395 2.905 7.083 539 H1' DT 6 H1' DT 6 -9.792 4.507 6.248 540 H3 DT 6 3H DT 6 -10.552 4.980 1.867 541 H71 DT 6 1H7 DT 6 -5.233 4.845 2.462 542 H72 DT 6 2H7 DT 6 -5.822 3.385 1.633 543 H73 DT 6 3H7 DT 6 -6.037 4.981 0.880 544 H6 DT 6 6H DT 6 -6.578 4.460 4.454 545 H5' DT 7 H5' DT 7 -9.233 2.056 10.230 546 H5'' DT 7 H5" DT 7 -9.001 0.323 9.914 547 H4' DT 7 H4' DT 7 -11.240 1.818 9.337 548 H3' DT 7 H3' DT 7 -10.741 -0.833 9.353 549 H2' DT 7 H2' DT 7 -9.679 -1.023 7.216 550 H2'' DT 7 H2" DT 7 -11.355 -1.295 6.756 551 H1' DT 7 H1' DT 7 -11.678 0.966 6.052 552 H3 DT 7 3H DT 7 -9.546 0.887 2.136 553 H71 DT 7 1H7 DT 7 -5.720 1.886 5.525 554 H72 DT 7 2H7 DT 7 -5.395 0.994 4.020 555 H73 DT 7 3H7 DT 7 -5.685 0.107 5.535 556 H6 DT 7 6H DT 7 -8.033 0.820 6.653 557 H5' DG 8 H5' DG 8 -15.179 -0.700 7.671 558 H5'' DG 8 H5" DG 8 -16.145 -1.498 8.930 559 H4' DG 8 H4' DG 8 -16.802 -2.474 6.909 560 H3' DG 8 H3' DG 8 -15.863 -4.138 8.830 561 H2' DG 8 H2' DG 8 -13.639 -4.430 7.996 562 H2'' DG 8 H2" DG 8 -14.456 -5.751 7.172 563 H1' DG 8 H1' DG 8 -14.747 -4.495 5.150 564 H8 DG 8 8H DG 8 -11.826 -3.772 7.483 565 H1 DG 8 1H DG 8 -10.506 -3.136 1.239 566 H21 DG 8 1H2 DG 8 -12.343 -3.269 0.049 567 H22 DG 8 2H2 DG 8 -13.913 -3.518 0.781 568 H5' DA 9 H5' DA 9 -17.490 -5.747 4.809 569 H5'' DA 9 H5" DA 9 -18.722 -6.947 5.252 570 H4' DA 9 H4' DA 9 -17.992 -7.385 3.028 571 H3' DA 9 H3' DA 9 -18.046 -9.389 4.851 572 H2' DA 9 H2' DA 9 -15.727 -9.447 5.417 573 H2'' DA 9 H2" DA 9 -15.727 -10.557 4.054 574 H1' DA 9 H1' DA 9 -14.992 -8.893 2.509 575 H8 DA 9 8H DA 9 -14.203 -8.253 6.225 576 H61 DA 9 2H6 DA 9 -9.517 -7.074 5.688 577 H62 DA 9 1H6 DA 9 -8.494 -6.844 4.288 578 H2 DA 9 2H DA 9 -11.050 -7.566 0.677 579 H5' DC 10 H5' DC 10 -17.643 -10.801 -0.061 580 H5'' DC 10 H5" DC 10 -18.318 -12.429 0.166 581 H4' DC 10 H4' DC 10 -16.595 -12.111 -1.671 582 H3' DC 10 H3' DC 10 -17.173 -14.376 -0.345 583 H2' DC 10 H2' DC 10 -15.570 -14.211 1.421 584 H2'' DC 10 H2" DC 10 -14.625 -15.096 0.231 585 H1' DC 10 H1' DC 10 -13.480 -13.150 -0.524 586 H41 DC 10 1H4 DC 10 -10.613 -11.050 4.710 587 H42 DC 10 2H4 DC 10 -12.066 -11.245 5.660 588 H5 DC 10 5H DC 10 -14.163 -12.001 4.723 589 H6 DC 10 6H DC 10 -15.293 -12.726 2.687 590 H5' DC 11 H5' DC 11 -13.969 -16.211 -3.237 591 H5'' DC 11 H5" DC 11 -14.736 -17.661 -3.919 592 H4' DC 11 H4' DC 11 -12.843 -18.513 -2.930 593 H3' DC 11 H3' DC 11 -15.195 -18.874 -1.147 594 H2' DC 11 H2' DC 11 -13.895 -19.239 0.757 595 H2'' DC 11 H2" DC 11 -12.715 -20.166 -0.155 596 H1' DC 11 H1' DC 11 -11.330 -18.375 -0.472 597 H41 DC 11 1H4 DC 11 -11.071 -14.645 4.648 598 H42 DC 11 2H4 DC 11 -12.774 -14.883 4.964 599 H5 DC 11 5H DC 11 -14.226 -16.168 3.520 600 H6 DC 11 6H DC 11 -14.340 -17.493 1.475 601 H5' DA 12 H5' DA 12 -11.714 -21.072 -1.859 602 H5'' DA 12 H5" DA 12 -11.980 -22.728 -2.443 603 H4' DA 12 H4' DA 12 -9.851 -22.693 -1.435 604 H3' DA 12 H3' DA 12 -11.582 -24.559 -0.615 605 H2' DA 12 H2' DA 12 -12.513 -23.406 1.266 606 H2'' DA 12 H2" DA 12 -11.217 -24.296 2.048 607 H1' DA 12 H1' DA 12 -9.747 -22.417 2.071 608 H8 DA 12 8H DA 12 -13.500 -21.639 1.747 609 H61 DA 12 2H6 DA 12 -13.713 -18.107 5.081 610 H62 DA 12 1H6 DA 12 -12.498 -17.289 6.038 611 H2 DA 12 2H DA 12 -8.540 -19.066 4.906 612 H5' DT 21 H5' DT 21 -4.083 -15.657 12.326 613 H5'' DT 21 H5" DT 21 -5.756 -15.601 11.738 614 H4' DT 21 H4' DT 21 -3.444 -16.894 10.293 615 H3' DT 21 H3' DT 21 -3.653 -14.195 10.460 616 H2' DT 21 H2' DT 21 -5.836 -13.946 9.513 617 H2'' DT 21 H2" DT 21 -4.856 -13.847 8.058 618 H1' DT 21 H1' DT 21 -5.178 -16.163 7.516 619 H3 DT 21 3H DT 21 -9.354 -17.407 6.434 620 H71 DT 21 1H7 DT 21 -10.109 -13.062 9.063 621 H72 DT 21 2H7 DT 21 -9.991 -14.108 10.496 622 H73 DT 21 3H7 DT 21 -11.266 -14.395 9.287 623 H6 DT 21 6H DT 21 -7.563 -14.318 9.595 624 H5' DG 22 H5' DG 22 -2.234 -15.557 6.021 625 H5'' DG 22 H5" DG 22 -0.585 -14.915 6.182 626 H4' DG 22 H4' DG 22 -0.776 -14.441 4.019 627 H3' DG 22 H3' DG 22 -2.123 -12.162 5.350 628 H2' DG 22 H2' DG 22 -3.229 -11.429 3.370 629 H2'' DG 22 H2" DG 22 -2.167 -12.350 2.315 630 H1' DG 22 H1' DG 22 -3.940 -13.869 2.329 631 H8 DG 22 8H DG 22 -4.107 -12.146 5.773 632 H1 DG 22 1H DG 22 -9.555 -14.838 3.715 633 H21 DG 22 1H2 DG 22 -9.220 -15.917 1.879 634 H22 DG 22 2H2 DG 22 -7.676 -16.026 1.081 635 H5' DG 23 H5' DG 23 -0.398 -11.677 1.258 636 H5'' DG 23 H5" DG 23 -0.033 -9.982 0.872 637 H4' DG 23 H4' DG 23 -1.702 -11.278 -0.592 638 H3' DG 23 H3' DG 23 -1.447 -8.575 -0.187 639 H2' DG 23 H2' DG 23 -3.237 -8.258 1.346 640 H2'' DG 23 H2" DG 23 -4.147 -8.166 -0.155 641 H1' DG 23 H1' DG 23 -4.831 -10.452 -0.054 642 H8 DG 23 8H DG 23 -3.549 -9.444 3.460 643 H1 DG 23 1H DG 23 -9.722 -11.133 3.103 644 H21 DG 23 1H2 DG 23 -10.241 -11.690 1.096 645 H22 DG 23 2H2 DG 23 -9.144 -11.675 -0.249 646 H5' DT 24 H5' DT 24 -4.158 -9.130 -3.841 647 H5'' DT 24 H5" DT 24 -3.590 -8.253 -5.276 648 H4' DT 24 H4' DT 24 -5.660 -7.371 -5.142 649 H3' DT 24 H3' DT 24 -3.964 -5.621 -3.398 650 H2' DT 24 H2' DT 24 -5.871 -4.512 -2.556 651 H2'' DT 24 H2" DT 24 -6.821 -4.850 -3.995 652 H1' DT 24 H1' DT 24 -7.743 -6.684 -2.988 653 H3 DT 24 3H DT 24 -8.700 -6.907 1.344 654 H71 DT 24 1H7 DT 24 -3.439 -5.750 0.924 655 H72 DT 24 2H7 DT 24 -4.066 -6.614 2.348 656 H73 DT 24 3H7 DT 24 -4.401 -4.877 2.141 657 H6 DT 24 6H DT 24 -4.671 -5.981 -1.032 658 H5' DC 25 H5' DC 25 -7.115 -5.085 -6.030 659 H5'' DC 25 H5" DC 25 -6.901 -3.905 -7.340 660 H4' DC 25 H4' DC 25 -9.236 -4.172 -6.875 661 H3' DC 25 H3' DC 25 -8.179 -1.721 -7.127 662 H2' DC 25 H2' DC 25 -7.774 -1.234 -4.818 663 H2'' DC 25 H2" DC 25 -9.396 -0.581 -4.993 664 H1' DC 25 H1' DC 25 -10.431 -2.504 -4.041 665 H41 DC 25 1H4 DC 25 -7.831 -2.853 1.714 666 H42 DC 25 2H4 DC 25 -6.221 -2.614 1.075 667 H5 DC 25 5H DC 25 -5.767 -2.365 -1.291 668 H6 DC 25 6H DC 25 -6.761 -2.322 -3.517 669 H5' DA 26 H5' DA 26 -12.988 -1.821 -6.226 670 H5'' DA 26 H5" DA 26 -13.517 -0.760 -7.549 671 H4' DA 26 H4' DA 26 -15.049 -0.677 -5.662 672 H3' DA 26 H3' DA 26 -14.351 1.512 -7.017 673 H2' DA 26 H2' DA 26 -12.473 2.204 -5.703 674 H2'' DA 26 H2" DA 26 -13.756 3.111 -4.917 675 H1' DA 26 H1' DA 26 -13.951 1.562 -3.124 676 H8 DA 26 8H DA 26 -10.656 1.430 -5.098 677 H61 DA 26 2H6 DA 26 -7.629 1.303 -1.295 678 H62 DA 26 1H6 DA 26 -7.880 1.188 0.432 679 H2 DA 26 2H DA 26 -12.312 0.985 1.087 680 H5' DA 27 H5' DA 27 -17.676 2.270 -3.131 681 H5'' DA 27 H5" DA 27 -18.668 3.139 -4.321 682 H4' DA 27 H4' DA 27 -19.144 3.881 -2.061 683 H3' DA 27 H3' DA 27 -18.942 5.603 -4.088 684 H2' DA 27 H2' DA 27 -16.620 6.154 -3.917 685 H2'' DA 27 H2" DA 27 -17.313 7.413 -2.903 686 H1' DA 27 H1' DA 27 -16.790 6.285 -0.885 687 H8 DA 27 8H DA 27 -14.749 5.538 -4.005 688 H61 DA 27 2H6 DA 27 -10.407 5.006 -1.886 689 H62 DA 27 1H6 DA 27 -9.889 4.923 -0.217 690 H2 DA 27 2H DA 27 -13.576 5.325 2.302 691 H5' DA 28 H5' DA 28 -19.180 7.481 0.480 692 H5'' DA 28 H5" DA 28 -20.433 8.701 0.169 693 H4' DA 28 H4' DA 28 -19.029 9.468 1.938 694 H3' DA 28 H3' DA 28 -19.600 11.097 -0.126 695 H2' DA 28 H2' DA 28 -17.633 10.751 -1.440 696 H2'' DA 28 H2" DA 28 -17.107 12.108 -0.455 697 H1' DA 28 H1' DA 28 -15.920 10.724 1.081 698 H8 DA 28 8H DA 28 -16.597 9.205 -2.390 699 H61 DA 28 2H6 DA 28 -12.091 7.615 -3.281 700 H62 DA 28 1H6 DA 28 -10.626 7.568 -2.327 701 H2 DA 28 2H DA 28 -11.626 9.346 1.667 702 H5' DG 29 H5' DG 29 -17.794 13.618 3.927 703 H5'' DG 29 H5" DG 29 -17.770 15.318 3.416 704 H4' DG 29 H4' DG 29 -15.823 14.208 4.833 705 H3' DG 29 H3' DG 29 -16.029 16.630 3.600 706 H2' DG 29 H2' DG 29 -15.031 16.049 1.509 707 H2'' DG 29 H2" DG 29 -13.592 16.506 2.410 708 H1' DG 29 H1' DG 29 -13.072 14.235 2.993 709 H8 DG 29 8H DG 29 -15.617 14.002 0.072 710 H1 DG 29 1H DG 29 -9.686 11.889 -1.154 711 H21 DG 29 1H2 DG 29 -8.399 12.163 0.600 712 H22 DG 29 2H2 DG 29 -8.987 12.868 2.090 713 H5' DG 30 H5' DG 30 -11.723 16.683 6.379 714 H5'' DG 30 H5" DG 30 -12.276 18.134 7.240 715 H4' DG 30 H4' DG 30 -9.909 18.262 6.884 716 H3' DG 30 H3' DG 30 -11.464 20.371 6.357 717 H2' DG 30 H2' DG 30 -11.868 19.989 4.032 718 H2'' DG 30 H2" DG 30 -10.441 21.012 3.935 719 H1' DG 30 H1' DG 30 -8.968 19.179 3.592 720 H8 DG 30 8H DG 30 -12.654 18.714 2.719 721 H1 DG 30 1H DG 30 -8.537 15.810 -1.248 722 H21 DG 30 1H2 DG 30 -6.495 15.931 -0.454 723 H22 DG 30 2H2 DG 30 -6.126 16.728 1.059 Start of MODEL 10 1 H LEU 407 H LEU 407 6.255 8.549 2.952 2 HA LEU 407 HA LEU 407 8.985 9.191 2.091 3 HB2 LEU 407 2HB LEU 407 8.378 7.704 0.129 4 HB3 LEU 407 1HB LEU 407 8.774 6.898 1.632 5 HG LEU 407 HG LEU 407 6.850 5.919 0.351 6 HD11 LEU 407 2HD1 LEU 407 5.647 6.716 2.907 7 HD12 LEU 407 3HD1 LEU 407 7.276 6.045 3.012 8 HD13 LEU 407 1HD1 LEU 407 5.984 5.114 2.252 9 HD21 LEU 407 1HD2 LEU 407 5.942 8.245 -0.227 10 HD22 LEU 407 2HD2 LEU 407 5.220 8.213 1.381 11 HD23 LEU 407 3HD2 LEU 407 4.785 6.983 0.195 12 H LEU 408 H LEU 408 8.796 9.838 -0.315 13 HA LEU 408 HA LEU 408 6.319 11.237 -0.936 14 HB2 LEU 408 2HB LEU 408 8.688 12.546 0.088 15 HB3 LEU 408 1HB LEU 408 8.304 13.127 -1.519 16 HG LEU 408 HG LEU 408 6.022 12.996 0.348 17 HD11 LEU 408 1HD1 LEU 408 8.455 14.617 0.893 18 HD12 LEU 408 2HD1 LEU 408 7.324 13.862 2.014 19 HD13 LEU 408 3HD1 LEU 408 6.873 15.344 1.173 20 HD21 LEU 408 3HD2 LEU 408 7.077 14.987 -1.650 21 HD22 LEU 408 1HD2 LEU 408 5.630 15.244 -0.676 22 HD23 LEU 408 2HD2 LEU 408 5.691 13.912 -1.830 23 H ASP 409 H ASP 409 6.022 11.626 -3.109 24 HA ASP 409 HA ASP 409 6.880 9.944 -5.007 25 HB2 ASP 409 2HB ASP 409 6.496 11.807 -6.696 26 HB3 ASP 409 1HB ASP 409 5.171 11.485 -5.581 27 H ASP 410 H ASP 410 8.935 9.279 -5.235 28 HA ASP 410 HA ASP 410 11.104 11.214 -5.338 29 HB2 ASP 410 2HB ASP 410 10.934 8.236 -5.106 30 HB3 ASP 410 1HB ASP 410 12.433 8.969 -5.670 31 H GLY 411 H GLY 411 8.961 10.506 -7.545 32 HA2 GLY 411 2HA GLY 411 10.012 11.442 -9.766 33 HA3 GLY 411 1HA GLY 411 10.805 9.875 -9.731 34 H TYR 412 H TYR 412 8.314 8.701 -8.480 35 HA TYR 412 HA TYR 412 6.711 8.576 -10.951 36 HB2 TYR 412 2HB TYR 412 7.346 6.403 -8.949 37 HB3 TYR 412 1HB TYR 412 6.167 6.225 -10.239 38 HD1 TYR 412 1HD TYR 412 7.668 7.662 -12.422 39 HD2 TYR 412 2HD TYR 412 8.930 4.781 -9.557 40 HE1 TYR 412 1HE TYR 412 9.443 6.926 -13.950 41 HE2 TYR 412 2HE TYR 412 10.712 4.038 -11.079 42 HH TYR 412 HH TYR 412 11.515 5.775 -13.956 43 H ARG 413 H ARG 413 4.517 7.256 -10.171 44 HA ARG 413 HA ARG 413 3.383 8.942 -8.040 45 HB2 ARG 413 2HB ARG 413 2.586 8.929 -10.623 46 HB3 ARG 413 1HB ARG 413 1.559 7.653 -9.985 47 HG2 ARG 413 2HG ARG 413 0.253 9.542 -9.742 48 HG3 ARG 413 1HG ARG 413 0.971 9.356 -8.140 49 HD2 ARG 413 2HD ARG 413 1.527 11.516 -8.373 50 HD3 ARG 413 1HD ARG 413 2.830 10.898 -9.390 51 HE ARG 413 HE ARG 413 1.807 11.854 -11.187 52 HH11 ARG 413 1HH1 ARG 413 -0.550 11.507 -8.639 53 HH12 ARG 413 2HH1 ARG 413 -1.790 12.353 -9.498 54 HH21 ARG 413 1HH2 ARG 413 0.175 12.969 -12.322 55 HH22 ARG 413 2HH2 ARG 413 -1.380 13.183 -11.591 56 H TRP 414 H TRP 414 2.936 7.871 -6.245 57 HA TRP 414 HA TRP 414 2.190 5.029 -6.453 58 HB2 TRP 414 2HB TRP 414 3.649 6.359 -4.162 59 HB3 TRP 414 1HB TRP 414 3.296 4.640 -4.331 60 HD1 TRP 414 HD TRP 414 5.574 7.378 -5.767 61 HE1 TRP 414 1HE TRP 414 7.548 6.247 -6.973 62 HE3 TRP 414 3HE TRP 414 4.011 2.523 -5.475 63 HZ2 TRP 414 2HZ TRP 414 8.329 3.627 -7.715 64 HZ3 TRP 414 3HZ TRP 414 5.423 0.764 -6.462 65 HH2 TRP 414 HH TRP 414 7.537 1.305 -7.561 66 H ARG 415 H ARG 415 0.456 4.304 -5.329 67 HA ARG 415 HA ARG 415 -1.007 6.267 -3.691 68 HB2 ARG 415 2HB ARG 415 -2.029 5.949 -5.944 69 HB3 ARG 415 1HB ARG 415 -2.248 4.247 -5.566 70 HG2 ARG 415 2HG ARG 415 -3.480 5.307 -3.447 71 HG3 ARG 415 1HG ARG 415 -3.733 6.612 -4.609 72 HD2 ARG 415 2HD ARG 415 -4.240 3.933 -5.677 73 HD3 ARG 415 1HD ARG 415 -5.312 4.397 -4.356 74 HE ARG 415 HE ARG 415 -5.411 6.556 -5.943 75 HH11 ARG 415 1HH1 ARG 415 -5.767 3.151 -6.628 76 HH12 ARG 415 2HH1 ARG 415 -6.828 3.406 -7.973 77 HH21 ARG 415 1HH2 ARG 415 -6.804 6.890 -7.711 78 HH22 ARG 415 2HH2 ARG 415 -7.417 5.529 -8.587 79 H LYS 416 H LYS 416 -0.911 5.571 -1.665 80 HA LYS 416 HA LYS 416 -0.315 3.027 -0.766 81 HB2 LYS 416 2HB LYS 416 -0.704 5.413 0.437 82 HB3 LYS 416 1HB LYS 416 -2.187 4.598 0.910 83 HG2 LYS 416 2HG LYS 416 0.198 2.961 1.275 84 HG3 LYS 416 1HG LYS 416 0.212 4.453 2.217 85 HD2 LYS 416 2HD LYS 416 -2.385 3.284 2.394 86 HD3 LYS 416 1HD LYS 416 -1.183 2.044 2.755 87 HE2 LYS 416 2HE LYS 416 -0.150 3.572 4.397 88 HE3 LYS 416 1HE LYS 416 -1.423 4.747 4.071 89 HZ1 LYS 416 3HZ LYS 416 -2.853 3.649 5.357 90 HZ2 LYS 416 1HZ LYS 416 -1.510 2.829 5.977 91 HZ3 LYS 416 2HZ LYS 416 -2.423 2.137 4.734 92 H TYR 417 H TYR 417 -1.694 1.511 0.432 93 HA TYR 417 HA TYR 417 -4.487 1.470 0.155 94 HB2 TYR 417 2HB TYR 417 -4.957 0.190 -1.678 95 HB3 TYR 417 1HB TYR 417 -3.518 1.009 -2.263 96 HD1 TYR 417 2HD TYR 417 -4.689 -2.164 -0.712 97 HD2 TYR 417 1HD TYR 417 -1.669 -0.224 -2.997 98 HE1 TYR 417 2HE TYR 417 -3.655 -4.342 -1.183 99 HE2 TYR 417 1HE TYR 417 -0.629 -2.400 -3.480 100 HH TYR 417 HH TYR 417 -2.110 -5.260 -3.140 101 H GLY 418 H GLY 418 -5.418 -0.013 1.415 102 HA2 GLY 418 2HA GLY 418 -5.638 -1.815 2.850 103 HA3 GLY 418 1HA GLY 418 -4.132 -2.454 2.208 104 H GLN 419 H GLN 419 -4.244 -2.927 4.718 105 HA GLN 419 HA GLN 419 -2.142 -1.492 5.887 106 HB2 GLN 419 2HB GLN 419 -3.970 0.225 6.107 107 HB3 GLN 419 1HB GLN 419 -4.813 -0.895 7.168 108 HG2 GLN 419 2HG GLN 419 -3.349 -0.596 8.885 109 HG3 GLN 419 1HG GLN 419 -2.000 -0.220 7.816 110 HE21 GLN 419 1HE2 GLN 419 -4.443 1.022 9.798 111 HE22 GLN 419 2HE2 GLN 419 -4.218 2.697 9.443 112 H LYS 420 H LYS 420 -1.517 -3.662 6.135 113 HA LYS 420 HA LYS 420 -3.032 -5.288 8.044 114 HB2 LYS 420 2HB LYS 420 -1.983 -6.070 5.742 115 HB3 LYS 420 1HB LYS 420 -0.535 -6.253 6.720 116 HG2 LYS 420 2HG LYS 420 -1.255 -8.227 7.396 117 HG3 LYS 420 1HG LYS 420 -2.647 -7.451 8.152 118 HD2 LYS 420 2HD LYS 420 -4.024 -8.298 6.622 119 HD3 LYS 420 1HD LYS 420 -3.040 -7.652 5.308 120 HE2 LYS 420 2HE LYS 420 -1.978 -9.615 4.960 121 HE3 LYS 420 1HE LYS 420 -1.950 -10.023 6.675 122 HZ1 LYS 420 3HZ LYS 420 -4.365 -10.190 4.956 123 HZ2 LYS 420 1HZ LYS 420 -4.222 -10.718 6.558 124 HZ3 LYS 420 2HZ LYS 420 -3.367 -11.505 5.330 125 H VAL 421 H VAL 421 -2.002 -6.215 9.904 126 HA VAL 421 HA VAL 421 0.362 -4.695 10.787 127 HB VAL 421 HB VAL 421 -1.637 -4.159 12.105 128 HG11 VAL 421 1HG1 VAL 421 -3.108 -5.674 12.809 129 HG12 VAL 421 2HG1 VAL 421 -1.844 -6.670 13.531 130 HG13 VAL 421 3HG1 VAL 421 -2.239 -6.851 11.822 131 HG21 VAL 421 3HG2 VAL 421 -0.508 -4.075 14.070 132 HG22 VAL 421 1HG2 VAL 421 0.825 -4.610 13.046 133 HG23 VAL 421 2HG2 VAL 421 -0.066 -5.782 14.017 134 H VAL 422 H VAL 422 2.011 -5.784 11.852 135 HA VAL 422 HA VAL 422 1.845 -8.727 11.778 136 HB VAL 422 HB VAL 422 4.427 -8.523 11.431 137 HG11 VAL 422 1HG1 VAL 422 3.921 -8.266 8.881 138 HG12 VAL 422 2HG1 VAL 422 2.240 -8.293 9.417 139 HG13 VAL 422 3HG1 VAL 422 3.301 -9.655 9.775 140 HG21 VAL 422 3HG2 VAL 422 3.465 -5.901 10.287 141 HG22 VAL 422 1HG2 VAL 422 5.066 -6.601 10.049 142 HG23 VAL 422 2HG2 VAL 422 4.553 -6.101 11.660 143 H LYS 423 H LYS 423 2.692 -9.873 13.451 144 HA LYS 423 HA LYS 423 3.222 -8.435 15.900 145 HB2 LYS 423 2HB LYS 423 2.523 -11.194 15.129 146 HB3 LYS 423 1HB LYS 423 3.612 -11.070 16.504 147 HG2 LYS 423 2HG LYS 423 1.983 -10.403 17.861 148 HG3 LYS 423 1HG LYS 423 1.388 -9.219 16.697 149 HD2 LYS 423 2HD LYS 423 -0.071 -10.716 15.719 150 HD3 LYS 423 1HD LYS 423 0.862 -12.121 16.236 151 HE2 LYS 423 2HE LYS 423 -0.991 -12.209 17.623 152 HE3 LYS 423 1HE LYS 423 0.201 -11.382 18.625 153 HZ1 LYS 423 3HZ LYS 423 -0.925 -9.438 18.524 154 HZ2 LYS 423 1HZ LYS 423 -2.246 -10.470 18.287 155 HZ3 LYS 423 2HZ LYS 423 -1.517 -9.711 16.963 156 H GLY 424 H GLY 424 5.076 -9.726 17.284 157 HA2 GLY 424 2HA GLY 424 7.356 -9.942 17.563 158 HA3 GLY 424 1HA GLY 424 7.393 -10.571 15.921 159 H ASN 425 H ASN 425 5.969 -7.722 15.581 160 HA ASN 425 HA ASN 425 8.118 -5.865 15.763 161 HB2 ASN 425 2HB ASN 425 7.639 -7.338 13.266 162 HB3 ASN 425 1HB ASN 425 7.556 -5.592 13.059 163 HD21 ASN 425 1HD2 ASN 425 9.400 -5.187 12.024 164 HD22 ASN 425 2HD2 ASN 425 10.976 -5.554 12.629 165 HA PRO 426 HA PRO 426 3.384 -4.955 16.317 166 HB2 PRO 426 2HB PRO 426 5.057 -3.080 17.960 167 HB3 PRO 426 1HB PRO 426 3.451 -3.731 18.298 168 HG2 PRO 426 2HG PRO 426 5.695 -4.795 19.361 169 HG3 PRO 426 1HG PRO 426 4.270 -5.772 18.969 170 HD2 PRO 426 2HD PRO 426 6.900 -5.777 17.717 171 HD3 PRO 426 1HD PRO 426 5.559 -6.913 17.488 172 H TYR 427 H TYR 427 3.837 -4.283 13.919 173 HA TYR 427 HA TYR 427 3.509 -1.398 13.845 174 HB2 TYR 427 2HB TYR 427 5.839 -2.805 12.556 175 HB3 TYR 427 1HB TYR 427 5.233 -1.275 11.936 176 HD1 TYR 427 2HD TYR 427 6.580 -2.873 15.027 177 HD2 TYR 427 1HD TYR 427 5.947 0.742 12.871 178 HE1 TYR 427 2HE TYR 427 7.957 -1.666 16.662 179 HE2 TYR 427 1HE TYR 427 7.324 1.960 14.502 180 HH TYR 427 HH TYR 427 8.047 0.917 17.443 181 HA PRO 428 HA PRO 428 0.807 -2.719 10.572 182 HB2 PRO 428 2HB PRO 428 -0.128 -0.336 9.808 183 HB3 PRO 428 1HB PRO 428 -0.518 -1.001 11.400 184 HG2 PRO 428 2HG PRO 428 1.497 1.079 10.657 185 HG3 PRO 428 1HG PRO 428 0.396 1.030 12.047 186 HD2 PRO 428 2HD PRO 428 3.064 0.301 12.121 187 HD3 PRO 428 1HD PRO 428 1.835 -0.245 13.278 188 H ARG 429 H ARG 429 1.283 -3.318 8.553 189 HA ARG 429 HA ARG 429 3.420 -2.001 7.108 190 HB2 ARG 429 2HB ARG 429 1.754 -4.310 6.123 191 HB3 ARG 429 1HB ARG 429 3.383 -3.859 5.634 192 HG2 ARG 429 2HG ARG 429 4.347 -4.878 7.406 193 HG3 ARG 429 1HG ARG 429 2.992 -4.539 8.483 194 HD2 ARG 429 2HD ARG 429 2.544 -6.724 8.247 195 HD3 ARG 429 1HD ARG 429 1.841 -6.236 6.705 196 HE ARG 429 HE ARG 429 4.534 -6.689 6.249 197 HH11 ARG 429 1HH1 ARG 429 1.767 -8.539 7.299 198 HH12 ARG 429 2HH1 ARG 429 2.348 -10.023 6.623 199 HH21 ARG 429 1HH2 ARG 429 5.296 -8.637 5.359 200 HH22 ARG 429 2HH2 ARG 429 4.353 -10.081 5.521 201 H SER 430 H SER 430 3.203 -1.311 4.898 202 HA SER 430 HA SER 430 0.469 -0.508 4.156 203 HB2 SER 430 2HB SER 430 2.925 1.157 4.429 204 HB3 SER 430 1HB SER 430 1.834 1.527 3.095 205 HG SER 430 HG SER 430 1.439 2.619 5.179 206 H TYR 431 H TYR 431 -0.076 -0.749 2.029 207 HA TYR 431 HA TYR 431 1.995 -1.930 0.303 208 HB2 TYR 431 2HB TYR 431 -1.013 -2.210 0.250 209 HB3 TYR 431 1HB TYR 431 0.040 -2.812 -1.020 210 HD1 TYR 431 2HD TYR 431 -0.153 -2.998 2.716 211 HD2 TYR 431 1HD TYR 431 0.487 -5.059 -0.951 212 HE1 TYR 431 2HE TYR 431 0.116 -5.108 3.953 213 HE2 TYR 431 1HE TYR 431 0.752 -7.175 0.274 214 HH TYR 431 HH TYR 431 0.199 -8.166 2.379 215 H TYR 432 H TYR 432 2.880 -0.121 -0.651 216 HA TYR 432 HA TYR 432 1.118 1.845 -1.882 217 HB2 TYR 432 2HB TYR 432 4.039 1.663 -1.288 218 HB3 TYR 432 1HB TYR 432 3.515 2.741 -2.573 219 HD1 TYR 432 2HD TYR 432 1.725 4.491 -1.953 220 HD2 TYR 432 1HD TYR 432 4.022 2.357 0.919 221 HE1 TYR 432 2HE TYR 432 1.232 6.226 -0.280 222 HE2 TYR 432 1HE TYR 432 3.543 4.083 2.604 223 HH TYR 432 HH TYR 432 2.251 7.096 1.826 224 H LYS 433 H LYS 433 0.498 1.671 -3.958 225 HA LYS 433 HA LYS 433 2.160 0.022 -5.745 226 HB2 LYS 433 2HB LYS 433 0.163 -0.696 -6.899 227 HB3 LYS 433 1HB LYS 433 0.005 -1.045 -5.185 228 HG2 LYS 433 2HG LYS 433 -1.487 0.786 -4.871 229 HG3 LYS 433 1HG LYS 433 -1.187 1.380 -6.506 230 HD2 LYS 433 2HD LYS 433 -2.326 -0.445 -7.484 231 HD3 LYS 433 1HD LYS 433 -2.341 -1.344 -5.965 232 HE2 LYS 433 2HE LYS 433 -3.621 1.248 -5.716 233 HE3 LYS 433 1HE LYS 433 -4.373 0.256 -6.964 234 HZ1 LYS 433 3HZ LYS 433 -4.019 -1.470 -4.891 235 HZ2 LYS 433 1HZ LYS 433 -5.468 -0.694 -5.295 236 HZ3 LYS 433 2HZ LYS 433 -4.455 -0.032 -4.115 237 H CYS 434 H CYS 434 2.827 0.880 -7.599 238 HA CYS 434 HA CYS 434 2.195 3.652 -8.157 239 HB2 CYS 434 2HB CYS 434 4.496 3.182 -8.375 240 HB3 CYS 434 1HB CYS 434 4.200 1.681 -9.241 241 H THR 435 H THR 435 0.915 4.369 -9.756 242 HA THR 435 HA THR 435 -0.246 2.360 -11.573 243 HB THR 435 HB THR 435 -2.046 3.179 -10.299 244 HG1 THR 435 1HG THR 435 -3.061 3.520 -12.118 245 HG21 THR 435 3HG2 THR 435 -1.545 4.993 -9.053 246 HG22 THR 435 1HG2 THR 435 -2.242 5.889 -10.404 247 HG23 THR 435 2HG2 THR 435 -0.495 5.680 -10.293 248 H THR 436 H THR 436 -0.633 3.036 -13.793 249 HA THR 436 HA THR 436 0.195 5.539 -14.783 250 HB THR 436 HB THR 436 2.083 3.502 -15.809 251 HG1 THR 436 1HG THR 436 2.629 4.825 -13.354 252 HG21 THR 436 3HG2 THR 436 2.453 5.512 -16.825 253 HG22 THR 436 1HG2 THR 436 3.562 5.660 -15.464 254 HG23 THR 436 2HG2 THR 436 1.984 6.441 -15.402 255 HA PRO 437 HA PRO 437 -2.463 4.047 -18.011 256 HB2 PRO 437 2HB PRO 437 -1.284 5.456 -20.115 257 HB3 PRO 437 1HB PRO 437 -2.569 6.054 -19.065 258 HG2 PRO 437 2HG PRO 437 0.375 6.524 -18.917 259 HG3 PRO 437 1HG PRO 437 -0.961 7.643 -18.586 260 HD2 PRO 437 2HD PRO 437 0.414 6.522 -16.595 261 HD3 PRO 437 1HD PRO 437 -1.343 6.753 -16.470 262 H GLY 438 H GLY 438 -1.447 1.902 -17.781 263 HA2 GLY 438 2HA GLY 438 -0.968 0.214 -19.494 264 HA3 GLY 438 1HA GLY 438 0.267 1.300 -20.110 265 H CYS 439 H CYS 439 0.471 1.561 -16.834 266 HA CYS 439 HA CYS 439 2.237 -0.769 -16.559 267 HB2 CYS 439 2HB CYS 439 4.027 0.571 -16.662 268 HB3 CYS 439 1HB CYS 439 3.035 2.014 -16.638 269 H GLY 440 H GLY 440 2.618 -1.480 -14.450 270 HA2 GLY 440 2HA GLY 440 1.193 -0.261 -12.236 271 HA3 GLY 440 1HA GLY 440 0.575 -1.825 -12.749 272 H VAL 441 H VAL 441 2.870 -0.211 -10.854 273 HA VAL 441 HA VAL 441 4.240 -2.759 -10.288 274 HB VAL 441 HB VAL 441 5.396 0.017 -10.495 275 HG11 VAL 441 1HG1 VAL 441 6.587 -2.331 -9.022 276 HG12 VAL 441 2HG1 VAL 441 6.162 -0.757 -8.352 277 HG13 VAL 441 3HG1 VAL 441 7.489 -0.895 -9.504 278 HG21 VAL 441 3HG2 VAL 441 5.481 -1.310 -12.501 279 HG22 VAL 441 1HG2 VAL 441 6.192 -2.662 -11.616 280 HG23 VAL 441 2HG2 VAL 441 7.106 -1.168 -11.829 281 H ARG 442 H ARG 442 4.976 -2.991 -8.044 282 HA ARG 442 HA ARG 442 3.601 -1.202 -6.172 283 HB2 ARG 442 2HB ARG 442 3.564 -4.219 -6.027 284 HB3 ARG 442 1HB ARG 442 2.868 -3.126 -4.840 285 HG2 ARG 442 2HG ARG 442 0.964 -3.361 -5.964 286 HG3 ARG 442 1HG ARG 442 1.689 -2.317 -7.188 287 HD2 ARG 442 2HD ARG 442 2.212 -4.081 -8.575 288 HD3 ARG 442 1HD ARG 442 2.240 -5.248 -7.254 289 HE ARG 442 HE ARG 442 -0.010 -4.512 -8.850 290 HH11 ARG 442 1HH1 ARG 442 0.946 -5.607 -5.678 291 HH12 ARG 442 2HH1 ARG 442 -0.585 -6.340 -5.333 292 HH21 ARG 442 1HH2 ARG 442 -2.024 -5.476 -8.400 293 HH22 ARG 442 2HH2 ARG 442 -2.271 -6.267 -6.878 294 H LYS 443 H LYS 443 4.381 -1.415 -3.948 295 HA LYS 443 HA LYS 443 6.971 -2.650 -3.563 296 HB2 LYS 443 2HB LYS 443 8.161 -0.671 -2.979 297 HB3 LYS 443 1HB LYS 443 7.429 -0.381 -4.550 298 HG2 LYS 443 2HG LYS 443 5.635 0.889 -3.465 299 HG3 LYS 443 1HG LYS 443 6.414 0.622 -1.903 300 HD2 LYS 443 2HD LYS 443 8.493 1.656 -3.140 301 HD3 LYS 443 1HD LYS 443 7.250 2.358 -4.176 302 HE2 LYS 443 2HE LYS 443 6.291 2.802 -1.626 303 HE3 LYS 443 1HE LYS 443 8.029 3.048 -1.457 304 HZ1 LYS 443 3HZ LYS 443 6.475 4.331 -3.623 305 HZ2 LYS 443 1HZ LYS 443 8.010 4.747 -3.040 306 HZ3 LYS 443 2HZ LYS 443 6.636 5.045 -2.098 307 H HIS 444 H HIS 444 7.607 -2.676 -1.308 308 HA HIS 444 HA HIS 444 5.269 -2.393 0.459 309 HB2 HIS 444 2HB HIS 444 6.637 -4.672 -0.084 310 HB3 HIS 444 1HB HIS 444 7.505 -4.110 1.339 311 HD1 HIS 444 1HD HIS 444 6.642 -5.469 3.221 312 HD2 HIS 444 2HD HIS 444 3.588 -4.145 0.735 313 HE1 HIS 444 1HE HIS 444 4.508 -6.212 4.323 314 HE2 HIS 444 2HE HIS 444 2.671 -5.336 2.839 315 H VAL 445 H VAL 445 5.501 -1.542 2.511 316 HA VAL 445 HA VAL 445 8.094 -0.300 3.146 317 HB VAL 445 HB VAL 445 5.435 1.058 3.601 318 HG11 VAL 445 1HG1 VAL 445 6.693 2.985 4.171 319 HG12 VAL 445 2HG1 VAL 445 8.200 2.243 3.624 320 HG13 VAL 445 3HG1 VAL 445 7.393 1.636 5.071 321 HG21 VAL 445 3HG2 VAL 445 6.264 2.602 1.743 322 HG22 VAL 445 1HG2 VAL 445 5.616 1.034 1.264 323 HG23 VAL 445 2HG2 VAL 445 7.360 1.289 1.309 324 H GLU 446 H GLU 446 8.781 -0.985 5.091 325 HA GLU 446 HA GLU 446 6.769 -1.550 7.159 326 HB2 GLU 446 2HB GLU 446 8.379 -3.457 5.821 327 HB3 GLU 446 1HB GLU 446 9.011 -3.312 7.453 328 HG2 GLU 446 2HG GLU 446 7.345 -4.506 8.269 329 HG3 GLU 446 1HG GLU 446 6.152 -3.441 7.528 330 H ARG 447 H ARG 447 7.543 -1.463 9.332 331 HA ARG 447 HA ARG 447 9.786 0.403 9.644 332 HB2 ARG 447 2HB ARG 447 7.287 -0.133 11.175 333 HB3 ARG 447 1HB ARG 447 8.689 0.430 12.073 334 HG2 ARG 447 2HG ARG 447 7.793 2.441 11.584 335 HG3 ARG 447 1HG ARG 447 8.722 2.221 10.100 336 HD2 ARG 447 2HD ARG 447 6.752 1.351 8.973 337 HD3 ARG 447 1HD ARG 447 5.817 1.494 10.461 338 HE ARG 447 HE ARG 447 6.959 3.988 9.710 339 HH11 ARG 447 1HH1 ARG 447 4.349 1.799 8.952 340 HH12 ARG 447 2HH1 ARG 447 3.315 3.047 8.343 341 HH21 ARG 447 1HH2 ARG 447 5.601 5.628 8.910 342 HH22 ARG 447 2HH2 ARG 447 4.025 5.220 8.317 343 H ALA 448 H ALA 448 11.265 0.096 11.444 344 HA ALA 448 HA ALA 448 11.848 -2.741 11.835 345 HB1 ALA 448 1HB ALA 448 13.996 -1.589 12.880 346 HB2 ALA 448 2HB ALA 448 13.456 -0.250 11.868 347 HB3 ALA 448 3HB ALA 448 13.806 -1.817 11.142 348 H ALA 449 H ALA 449 11.449 -3.744 13.678 349 HA ALA 449 HA ALA 449 10.257 -2.428 15.889 350 HB1 ALA 449 1HB ALA 449 10.503 -4.685 16.997 351 HB2 ALA 449 2HB ALA 449 11.264 -5.233 15.504 352 HB3 ALA 449 3HB ALA 449 9.598 -4.656 15.485 353 H THR 450 H THR 450 13.470 -2.580 14.986 354 HA THR 450 HA THR 450 14.335 -2.090 17.756 355 HB THR 450 HB THR 450 16.650 -2.876 16.811 356 HG1 THR 450 1HG THR 450 16.209 -4.680 15.298 357 HG21 THR 450 3HG2 THR 450 15.807 -4.086 18.609 358 HG22 THR 450 1HG2 THR 450 15.923 -5.309 17.344 359 HG23 THR 450 2HG2 THR 450 14.363 -4.583 17.726 360 H ASP 451 H ASP 451 13.485 -0.396 15.351 361 HA ASP 451 HA ASP 451 15.107 1.817 15.803 362 HB2 ASP 451 2HB ASP 451 16.853 0.516 14.637 363 HB3 ASP 451 1HB ASP 451 15.800 0.368 13.235 364 HA PRO 452 HA PRO 452 11.001 2.534 13.792 365 HB2 PRO 452 2HB PRO 452 10.757 5.015 15.005 366 HB3 PRO 452 1HB PRO 452 10.121 3.500 15.653 367 HG2 PRO 452 2HG PRO 452 12.648 4.943 16.334 368 HG3 PRO 452 1HG PRO 452 11.518 4.089 17.402 369 HD2 PRO 452 2HD PRO 452 13.844 2.986 16.668 370 HD3 PRO 452 1HD PRO 452 12.375 2.002 16.846 371 H LYS 453 H LYS 453 13.957 4.370 13.940 372 HA LYS 453 HA LYS 453 13.166 6.295 11.962 373 HB2 LYS 453 2HB LYS 453 15.360 5.923 13.765 374 HB3 LYS 453 1HB LYS 453 15.990 6.189 12.146 375 HG2 LYS 453 2HG LYS 453 15.082 8.308 11.995 376 HG3 LYS 453 1HG LYS 453 13.874 7.988 13.241 377 HD2 LYS 453 2HD LYS 453 16.175 7.647 14.642 378 HD3 LYS 453 1HD LYS 453 16.658 8.897 13.494 379 HE2 LYS 453 2HE LYS 453 15.102 10.414 14.291 380 HE3 LYS 453 1HE LYS 453 14.079 9.155 14.980 381 HZ1 LYS 453 3HZ LYS 453 15.716 10.680 16.419 382 HZ2 LYS 453 1HZ LYS 453 16.742 9.368 16.112 383 HZ3 LYS 453 2HZ LYS 453 15.255 9.119 16.879 384 H ALA 454 H ALA 454 14.314 3.077 11.850 385 HA ALA 454 HA ALA 454 15.325 3.405 9.118 386 HB1 ALA 454 1HB ALA 454 15.863 0.867 9.543 387 HB2 ALA 454 2HB ALA 454 15.696 1.344 11.234 388 HB3 ALA 454 3HB ALA 454 16.890 2.138 10.207 389 H VAL 455 H VAL 455 14.106 2.890 7.424 390 HA VAL 455 HA VAL 455 11.773 1.137 7.859 391 HB VAL 455 HB VAL 455 11.967 3.324 5.787 392 HG11 VAL 455 1HG1 VAL 455 10.435 1.393 5.349 393 HG12 VAL 455 2HG1 VAL 455 9.633 2.960 5.443 394 HG13 VAL 455 3HG1 VAL 455 9.548 1.845 6.805 395 HG21 VAL 455 3HG2 VAL 455 10.261 4.456 7.313 396 HG22 VAL 455 1HG2 VAL 455 11.951 4.495 7.818 397 HG23 VAL 455 2HG2 VAL 455 10.834 3.355 8.566 398 H VAL 456 H VAL 456 11.266 -0.380 6.284 399 HA VAL 456 HA VAL 456 13.453 -0.977 4.411 400 HB VAL 456 HB VAL 456 12.915 -3.248 4.530 401 HG11 VAL 456 1HG1 VAL 456 13.546 -3.615 6.640 402 HG12 VAL 456 2HG1 VAL 456 12.062 -2.919 7.293 403 HG13 VAL 456 3HG1 VAL 456 13.415 -1.870 6.865 404 HG21 VAL 456 3HG2 VAL 456 10.236 -2.405 5.617 405 HG22 VAL 456 1HG2 VAL 456 10.804 -4.075 5.628 406 HG23 VAL 456 2HG2 VAL 456 10.579 -3.229 4.096 407 H THR 457 H THR 457 13.094 -1.151 2.241 408 HA THR 457 HA THR 457 10.323 -0.935 1.298 409 HB THR 457 HB THR 457 12.466 0.545 -0.172 410 HG1 THR 457 1HG THR 457 12.684 1.686 1.631 411 HG21 THR 457 3HG2 THR 457 9.618 1.388 0.182 412 HG22 THR 457 1HG2 THR 457 10.002 0.065 -0.922 413 HG23 THR 457 2HG2 THR 457 10.709 1.663 -1.178 414 H THR 458 H THR 458 9.815 -2.424 -0.154 415 HA THR 458 HA THR 458 11.995 -3.689 -1.687 416 HB THR 458 HB THR 458 9.412 -4.920 -0.700 417 HG1 THR 458 1HG THR 458 11.378 -4.674 0.714 418 HG21 THR 458 3HG2 THR 458 11.421 -5.847 -2.708 419 HG22 THR 458 1HG2 THR 458 9.667 -6.019 -2.713 420 HG23 THR 458 2HG2 THR 458 10.648 -7.034 -1.657 421 H TYR 459 H TYR 459 11.887 -3.486 -3.835 422 HA TYR 459 HA TYR 459 9.382 -2.487 -5.003 423 HB2 TYR 459 2HB TYR 459 12.265 -2.182 -5.794 424 HB3 TYR 459 1HB TYR 459 10.974 -1.897 -6.956 425 HD1 TYR 459 2HD TYR 459 9.350 -0.056 -6.566 426 HD2 TYR 459 1HD TYR 459 12.763 -0.598 -4.085 427 HE1 TYR 459 2HE TYR 459 9.094 2.239 -5.722 428 HE2 TYR 459 1HE TYR 459 12.516 1.696 -3.233 429 HH TYR 459 HH TYR 459 11.462 3.879 -4.105 430 H GLU 460 H GLU 460 8.251 -3.720 -6.341 431 HA GLU 460 HA GLU 460 9.597 -5.958 -7.694 432 HB2 GLU 460 2HB GLU 460 7.522 -6.103 -5.690 433 HB3 GLU 460 1HB GLU 460 6.950 -6.780 -7.208 434 HG2 GLU 460 2HG GLU 460 9.629 -7.600 -6.232 435 HG3 GLU 460 1HG GLU 460 8.206 -8.242 -5.414 436 H GLY 461 H GLY 461 9.402 -5.726 -9.818 437 HA2 GLY 461 2HA GLY 461 8.011 -5.720 -11.774 438 HA3 GLY 461 1HA GLY 461 6.848 -4.738 -10.897 439 H LYS 462 H LYS 462 8.681 -4.550 -13.446 440 HA LYS 462 HA LYS 462 10.025 -2.026 -12.933 441 HB2 LYS 462 2HB LYS 462 10.658 -4.080 -14.558 442 HB3 LYS 462 1HB LYS 462 9.795 -3.058 -15.701 443 HG2 LYS 462 2HG LYS 462 11.480 -1.302 -14.393 444 HG3 LYS 462 1HG LYS 462 12.450 -2.764 -14.578 445 HD2 LYS 462 2HD LYS 462 10.997 -2.213 -17.002 446 HD3 LYS 462 1HD LYS 462 11.926 -0.797 -16.511 447 HE2 LYS 462 2HE LYS 462 13.661 -1.783 -17.512 448 HE3 LYS 462 1HE LYS 462 13.702 -2.854 -16.112 449 HZ1 LYS 462 3HZ LYS 462 13.612 -4.340 -17.835 450 HZ2 LYS 462 1HZ LYS 462 12.631 -3.356 -18.801 451 HZ3 LYS 462 2HZ LYS 462 11.966 -4.183 -17.485 452 H HIS 463 H HIS 463 9.690 -0.181 -14.426 453 HA HIS 463 HA HIS 463 6.819 0.191 -14.917 454 HB2 HIS 463 2HB HIS 463 8.978 2.297 -14.694 455 HB3 HIS 463 1HB HIS 463 7.240 2.578 -14.778 456 HD2 HIS 463 2HD HIS 463 9.872 1.180 -12.211 457 HE1 HIS 463 1HE HIS 463 6.304 2.183 -10.143 458 HE2 HIS 463 2HE HIS 463 8.667 1.337 -9.927 459 H ASN 464 H ASN 464 6.031 0.706 -16.888 460 HA ASN 464 HA ASN 464 7.966 0.780 -19.107 461 HB2 ASN 464 2HB ASN 464 5.183 0.225 -19.841 462 HB3 ASN 464 1HB ASN 464 6.655 -0.620 -20.298 463 HD21 ASN 464 1HD2 ASN 464 6.469 -2.678 -19.813 464 HD22 ASN 464 2HD2 ASN 464 5.801 -3.327 -18.357 465 H HIS 465 H HIS 465 7.859 3.170 -18.139 466 HA HIS 465 HA HIS 465 6.540 4.724 -20.138 467 HB2 HIS 465 2HB HIS 465 5.137 6.056 -18.583 468 HB3 HIS 465 1HB HIS 465 4.610 4.380 -18.707 469 HD1 HIS 465 1HD HIS 465 6.236 6.790 -16.329 470 HD2 HIS 465 2HD HIS 465 4.800 2.899 -16.375 471 HE1 HIS 465 1HE HIS 465 6.198 6.061 -13.920 472 H ASP 466 H ASP 466 7.128 6.943 -20.089 473 HA ASP 466 HA ASP 466 9.736 7.517 -19.381 474 HB2 ASP 466 2HB ASP 466 8.795 10.000 -19.374 475 HB3 ASP 466 1HB ASP 466 8.933 9.077 -20.857 476 H LEU 467 H LEU 467 6.958 9.014 -17.831 477 HA LEU 467 HA LEU 467 6.861 8.443 -15.322 478 HB2 LEU 467 2HB LEU 467 8.552 9.596 -13.985 479 HB3 LEU 467 1HB LEU 467 9.257 8.383 -15.011 480 HG LEU 467 HG LEU 467 10.102 10.105 -16.516 481 HD11 LEU 467 1HD1 LEU 467 8.478 11.881 -14.755 482 HD12 LEU 467 2HD1 LEU 467 8.675 11.910 -16.508 483 HD13 LEU 467 3HD1 LEU 467 9.967 12.504 -15.466 484 HD21 LEU 467 3HD2 LEU 467 11.561 11.288 -14.754 485 HD22 LEU 467 1HD2 LEU 467 11.637 9.528 -14.868 486 HD23 LEU 467 2HD2 LEU 467 10.687 10.290 -13.589 487 HA PRO 468 HA PRO 468 4.745 12.324 -15.244 488 HB2 PRO 468 2HB PRO 468 4.159 12.275 -12.488 489 HB3 PRO 468 1HB PRO 468 3.218 11.519 -13.774 490 HG2 PRO 468 2HG PRO 468 4.614 10.181 -11.743 491 HG3 PRO 468 1HG PRO 468 3.957 9.451 -13.215 492 HD2 PRO 468 2HD PRO 468 6.743 10.339 -12.613 493 HD3 PRO 468 1HD PRO 468 6.185 8.945 -13.568 494 H ALA 469 H ALA 469 5.755 14.237 -15.441 495 HA ALA 469 HA ALA 469 7.990 15.077 -13.990 496 HB1 ALA 469 1HB ALA 469 7.440 16.047 -16.133 497 HB2 ALA 469 2HB ALA 469 7.523 17.316 -14.914 498 HB3 ALA 469 3HB ALA 469 5.957 16.735 -15.475 499 H5' DC 3 H5' DC 3 -1.566 17.932 -6.219 500 H5'' DC 3 H5" DC 3 -3.278 18.343 -6.002 501 H4' DC 3 H4' DC 3 -1.616 16.630 -4.155 502 H3' DC 3 H3' DC 3 -3.462 15.868 -6.385 503 H2' DC 3 H2' DC 3 -4.559 14.279 -5.036 504 H2'' DC 3 H2" DC 3 -3.132 13.994 -4.053 505 H1' DC 3 H1' DC 3 -3.854 15.474 -2.471 506 H41 DC 3 1H4 DC 3 -10.096 16.482 -2.178 507 H42 DC 3 2H4 DC 3 -10.273 16.216 -3.898 508 H5 DC 3 5H DC 3 -8.388 15.818 -5.367 509 H6 DC 3 6H DC 3 -5.961 15.581 -5.479 510 H5' DC 4 H5' DC 4 -0.290 12.822 -4.071 511 H5'' DC 4 H5" DC 4 -0.725 11.156 -4.504 512 H4' DC 4 H4' DC 4 -0.905 12.303 -2.015 513 H3' DC 4 H3' DC 4 -1.224 9.750 -2.976 514 H2' DC 4 H2' DC 4 -3.561 9.844 -3.435 515 H2'' DC 4 H2" DC 4 -3.620 9.389 -1.737 516 H1' DC 4 H1' DC 4 -3.913 11.659 -1.000 517 H41 DC 4 1H4 DC 4 -9.638 12.680 -3.483 518 H42 DC 4 2H4 DC 4 -9.029 12.574 -5.119 519 H5 DC 4 5H DC 4 -6.703 12.124 -5.630 520 H6 DC 4 6H DC 4 -4.502 11.681 -4.675 521 H5' DT 5 H5' DT 5 -2.232 10.742 1.481 522 H5'' DT 5 H5" DT 5 -1.235 9.592 2.395 523 H4' DT 5 H4' DT 5 -3.118 10.315 3.714 524 H3' DT 5 H3' DT 5 -2.414 7.710 3.562 525 H2' DT 5 H2' DT 5 -3.985 6.999 1.903 526 H2'' DT 5 H2" DT 5 -4.927 6.719 3.361 527 H1' DT 5 H1' DT 5 -6.114 8.787 3.164 528 H3 DT 5 3H DT 5 -9.033 8.392 -0.181 529 H71 DT 5 1H7 DT 5 -5.577 6.615 -2.894 530 H72 DT 5 2H7 DT 5 -5.252 8.342 -3.180 531 H73 DT 5 3H7 DT 5 -4.125 7.375 -2.197 532 H6 DT 5 6H DT 5 -4.285 7.979 0.038 533 H5' DT 6 H5' DT 6 -6.208 8.191 5.691 534 H5'' DT 6 H5" DT 6 -5.684 8.472 7.365 535 H4' DT 6 H4' DT 6 -7.613 7.636 8.019 536 H3' DT 6 H3' DT 6 -6.062 5.392 7.856 537 H2' DT 6 H2' DT 6 -6.832 4.563 5.759 538 H2'' DT 6 H2" DT 6 -8.044 3.845 6.810 539 H1' DT 6 H1' DT 6 -9.638 5.581 6.403 540 H3 DT 6 3H DT 6 -11.321 5.387 2.278 541 H71 DT 6 1H7 DT 6 -7.254 4.901 0.280 542 H72 DT 6 2H7 DT 6 -6.221 5.866 1.360 543 H73 DT 6 3H7 DT 6 -6.325 4.102 1.571 544 H6 DT 6 6H DT 6 -6.859 5.346 3.962 545 H5' DT 7 H5' DT 7 -10.405 4.867 8.543 546 H5'' DT 7 H5" DT 7 -10.719 4.089 10.108 547 H4' DT 7 H4' DT 7 -12.508 3.473 8.753 548 H3' DT 7 H3' DT 7 -10.916 1.435 9.718 549 H2' DT 7 H2' DT 7 -9.885 0.798 7.674 550 H2'' DT 7 H2" DT 7 -11.373 -0.125 7.522 551 H1' DT 7 H1' DT 7 -12.445 1.558 6.186 552 H3 DT 7 3H DT 7 -10.722 1.334 2.087 553 H71 DT 7 1H7 DT 7 -6.417 1.030 4.577 554 H72 DT 7 2H7 DT 7 -6.659 2.620 5.338 555 H73 DT 7 3H7 DT 7 -6.493 2.495 3.572 556 H6 DT 7 6H DT 7 -8.767 2.039 6.379 557 H5' DG 8 H5' DG 8 -15.608 -0.342 8.771 558 H5'' DG 8 H5" DG 8 -15.684 -1.261 10.289 559 H4' DG 8 H4' DG 8 -16.750 -2.440 8.439 560 H3' DG 8 H3' DG 8 -15.186 -3.665 10.270 561 H2' DG 8 H2' DG 8 -13.138 -3.724 9.039 562 H2'' DG 8 H2" DG 8 -13.846 -5.247 8.519 563 H1' DG 8 H1' DG 8 -14.679 -4.332 6.480 564 H8 DG 8 8H DG 8 -11.691 -2.627 8.155 565 H1 DG 8 1H DG 8 -11.375 -3.028 1.761 566 H21 DG 8 1H2 DG 8 -13.266 -3.779 0.947 567 H22 DG 8 2H2 DG 8 -14.626 -4.190 1.968 568 H5' DA 9 H5' DA 9 -16.328 -5.604 6.623 569 H5'' DA 9 H5" DA 9 -17.692 -6.676 7.001 570 H4' DA 9 H4' DA 9 -16.986 -7.311 4.875 571 H3' DA 9 H3' DA 9 -16.821 -9.220 6.872 572 H2' DA 9 H2' DA 9 -14.463 -9.389 7.024 573 H2'' DA 9 H2" DA 9 -14.694 -10.435 5.631 574 H1' DA 9 H1' DA 9 -14.215 -8.706 4.060 575 H8 DA 9 8H DA 9 -12.775 -8.256 7.607 576 H61 DA 9 2H6 DA 9 -8.202 -7.219 6.309 577 H62 DA 9 1H6 DA 9 -7.426 -6.966 4.760 578 H2 DA 9 2H DA 9 -10.590 -7.458 1.625 579 H5' DC 10 H5' DC 10 -16.668 -10.128 2.233 580 H5'' DC 10 H5" DC 10 -17.853 -11.445 2.123 581 H4' DC 10 H4' DC 10 -16.448 -11.492 0.196 582 H3' DC 10 H3' DC 10 -16.868 -13.753 1.651 583 H2' DC 10 H2' DC 10 -14.800 -13.886 2.814 584 H2'' DC 10 H2" DC 10 -14.315 -14.680 1.323 585 H1' DC 10 H1' DC 10 -13.291 -12.743 0.432 586 H41 DC 10 1H4 DC 10 -8.911 -11.250 4.751 587 H42 DC 10 2H4 DC 10 -10.041 -11.481 6.063 588 H5 DC 10 5H DC 10 -12.362 -12.068 5.724 589 H6 DC 10 6H DC 10 -14.073 -12.553 4.055 590 H5' DC 11 H5' DC 11 -14.868 -14.696 -2.424 591 H5'' DC 11 H5" DC 11 -15.760 -15.962 -3.296 592 H4' DC 11 H4' DC 11 -13.505 -16.451 -3.627 593 H3' DC 11 H3' DC 11 -15.029 -18.348 -2.292 594 H2' DC 11 H2' DC 11 -14.001 -18.194 -0.162 595 H2'' DC 11 H2" DC 11 -12.818 -19.243 -0.931 596 H1' DC 11 H1' DC 11 -11.366 -17.429 -1.505 597 H41 DC 11 1H4 DC 11 -9.720 -15.197 4.192 598 H42 DC 11 2H4 DC 11 -11.350 -15.376 4.794 599 H5 DC 11 5H DC 11 -13.192 -16.135 3.424 600 H6 DC 11 6H DC 11 -13.846 -16.867 1.193 601 H5' DA 12 H5' DA 12 -10.911 -18.948 -3.227 602 H5'' DA 12 H5" DA 12 -10.758 -19.995 -4.653 603 H4' DA 12 H4' DA 12 -8.661 -20.134 -3.762 604 H3' DA 12 H3' DA 12 -10.016 -22.483 -3.618 605 H2' DA 12 H2' DA 12 -10.668 -22.352 -1.319 606 H2'' DA 12 H2" DA 12 -9.133 -23.194 -1.167 607 H1' DA 12 H1' DA 12 -7.922 -21.160 -0.688 608 H8 DA 12 8H DA 12 -11.693 -21.164 0.151 609 H61 DA 12 2H6 DA 12 -11.300 -19.604 4.747 610 H62 DA 12 1H6 DA 12 -9.946 -19.056 5.710 611 H2 DA 12 2H DA 12 -6.314 -19.270 3.096 612 H5' DT 21 H5' DT 21 -0.576 -17.618 9.667 613 H5'' DT 21 H5" DT 21 -2.139 -18.442 9.523 614 H4' DT 21 H4' DT 21 -0.198 -18.755 7.300 615 H3' DT 21 H3' DT 21 -0.488 -16.167 8.021 616 H2' DT 21 H2' DT 21 -2.871 -16.012 7.895 617 H2'' DT 21 H2" DT 21 -2.445 -15.567 6.248 618 H1' DT 21 H1' DT 21 -2.848 -17.767 5.397 619 H3 DT 21 3H DT 21 -7.250 -18.493 5.339 620 H71 DT 21 1H7 DT 21 -7.735 -16.760 9.575 621 H72 DT 21 2H7 DT 21 -6.071 -16.577 10.182 622 H73 DT 21 3H7 DT 21 -6.883 -18.158 10.274 623 H6 DT 21 6H DT 21 -4.244 -17.139 8.768 624 H5' DG 22 H5' DG 22 -0.586 -17.142 3.171 625 H5'' DG 22 H5" DG 22 0.935 -16.245 2.983 626 H4' DG 22 H4' DG 22 -0.153 -16.300 0.875 627 H3' DG 22 H3' DG 22 0.725 -13.958 1.799 628 H2' DG 22 H2' DG 22 -1.241 -13.150 2.877 629 H2'' DG 22 H2" DG 22 -1.507 -12.492 1.268 630 H1' DG 22 H1' DG 22 -3.059 -14.156 0.672 631 H8 DG 22 8H DG 22 -2.416 -13.581 4.375 632 H1 DG 22 1H DG 22 -8.428 -15.273 2.914 633 H21 DG 22 1H2 DG 22 -8.569 -15.860 0.848 634 H22 DG 22 2H2 DG 22 -7.226 -15.869 -0.259 635 H5' DG 23 H5' DG 23 -2.058 -13.304 -1.300 636 H5'' DG 23 H5" DG 23 -1.261 -13.105 -2.874 637 H4' DG 23 H4' DG 23 -3.051 -11.885 -3.374 638 H3' DG 23 H3' DG 23 -1.094 -10.111 -2.657 639 H2' DG 23 H2' DG 23 -1.885 -9.568 -0.477 640 H2'' DG 23 H2" DG 23 -2.810 -8.405 -1.417 641 H1' DG 23 H1' DG 23 -4.757 -9.808 -1.494 642 H8 DG 23 8H DG 23 -2.371 -9.767 1.430 643 H1 DG 23 1H DG 23 -8.426 -11.184 2.999 644 H21 DG 23 1H2 DG 23 -9.602 -11.546 1.230 645 H22 DG 23 2H2 DG 23 -8.980 -11.455 -0.393 646 H5' DT 24 H5' DT 24 -4.926 -8.560 -5.006 647 H5'' DT 24 H5" DT 24 -4.590 -7.052 -5.882 648 H4' DT 24 H4' DT 24 -6.880 -7.124 -5.072 649 H3' DT 24 H3' DT 24 -5.068 -5.002 -4.001 650 H2' DT 24 H2' DT 24 -6.629 -4.360 -2.367 651 H2'' DT 24 H2" DT 24 -7.996 -4.790 -3.387 652 H1' DT 24 H1' DT 24 -8.187 -6.848 -2.421 653 H3 DT 24 3H DT 24 -7.995 -6.792 2.030 654 H71 DT 24 1H7 DT 24 -3.416 -4.884 0.986 655 H72 DT 24 2H7 DT 24 -2.946 -6.508 0.431 656 H73 DT 24 3H7 DT 24 -3.452 -6.256 2.119 657 H6 DT 24 6H DT 24 -4.727 -6.046 -1.359 658 H5' DC 25 H5' DC 25 -8.760 -4.919 -6.636 659 H5'' DC 25 H5" DC 25 -9.278 -3.383 -7.364 660 H4' DC 25 H4' DC 25 -11.057 -5.099 -6.654 661 H3' DC 25 H3' DC 25 -11.354 -2.470 -7.079 662 H2' DC 25 H2' DC 25 -10.854 -1.660 -4.883 663 H2'' DC 25 H2" DC 25 -12.596 -1.860 -4.752 664 H1' DC 25 H1' DC 25 -12.421 -3.948 -3.627 665 H41 DC 25 1H4 DC 25 -9.172 -2.267 1.529 666 H42 DC 25 2H4 DC 25 -7.759 -1.841 0.589 667 H5 DC 25 5H DC 25 -7.685 -2.011 -1.825 668 H6 DC 25 6H DC 25 -8.945 -2.631 -3.819 669 H5' DA 26 H5' DA 26 -15.598 -3.307 -4.766 670 H5'' DA 26 H5" DA 26 -16.643 -2.684 -6.060 671 H4' DA 26 H4' DA 26 -17.378 -1.802 -3.966 672 H3' DA 26 H3' DA 26 -16.944 -0.149 -6.086 673 H2' DA 26 H2' DA 26 -14.840 0.760 -5.419 674 H2'' DA 26 H2" DA 26 -15.917 1.884 -4.602 675 H1' DA 26 H1' DA 26 -15.765 0.729 -2.510 676 H8 DA 26 8H DA 26 -12.850 0.325 -4.986 677 H61 DA 26 2H6 DA 26 -9.226 1.053 -1.829 678 H62 DA 26 1H6 DA 26 -9.172 1.255 -0.091 679 H2 DA 26 2H DA 26 -13.400 0.985 1.377 680 H5' DA 27 H5' DA 27 -19.399 1.734 -2.158 681 H5'' DA 27 H5" DA 27 -20.578 2.669 -3.101 682 H4' DA 27 H4' DA 27 -20.148 3.629 -0.888 683 H3' DA 27 H3' DA 27 -20.406 5.099 -3.174 684 H2' DA 27 H2' DA 27 -18.101 5.564 -3.571 685 H2'' DA 27 H2" DA 27 -18.480 6.900 -2.494 686 H1' DA 27 H1' DA 27 -17.638 5.769 -0.561 687 H8 DA 27 8H DA 27 -16.227 4.818 -4.001 688 H61 DA 27 2H6 DA 27 -11.525 4.729 -2.772 689 H62 DA 27 1H6 DA 27 -10.680 4.878 -1.248 690 H2 DA 27 2H DA 27 -13.812 5.444 1.914 691 H5' DA 28 H5' DA 28 -18.878 6.686 0.617 692 H5'' DA 28 H5" DA 28 -20.289 7.545 1.267 693 H4' DA 28 H4' DA 28 -18.653 8.440 2.553 694 H3' DA 28 H3' DA 28 -19.595 10.256 0.726 695 H2' DA 28 H2' DA 28 -17.734 10.241 -0.764 696 H2'' DA 28 H2" DA 28 -17.171 11.448 0.381 697 H1' DA 28 H1' DA 28 -15.877 9.860 1.634 698 H8 DA 28 8H DA 28 -16.624 8.870 -2.024 699 H61 DA 28 2H6 DA 28 -12.031 8.063 -3.405 700 H62 DA 28 1H6 DA 28 -10.504 8.080 -2.552 701 H2 DA 28 2H DA 28 -11.415 9.107 1.718 702 H5' DG 29 H5' DG 29 -17.013 11.322 4.409 703 H5'' DG 29 H5" DG 29 -17.502 12.888 5.090 704 H4' DG 29 H4' DG 29 -15.145 12.178 5.547 705 H3' DG 29 H3' DG 29 -16.061 14.748 5.119 706 H2' DG 29 H2' DG 29 -15.181 15.069 2.932 707 H2'' DG 29 H2" DG 29 -13.752 15.494 3.865 708 H1' DG 29 H1' DG 29 -12.811 13.287 3.681 709 H8 DG 29 8H DG 29 -15.487 13.781 0.907 710 H1 DG 29 1H DG 29 -9.499 12.631 -1.086 711 H21 DG 29 1H2 DG 29 -8.161 12.355 0.632 712 H22 DG 29 2H2 DG 29 -8.730 12.453 2.283 713 H5' DG 30 H5' DG 30 -11.595 14.675 7.109 714 H5'' DG 30 H5" DG 30 -12.004 15.559 8.596 715 H4' DG 30 H4' DG 30 -9.798 16.151 8.085 716 H3' DG 30 H3' DG 30 -11.574 18.159 8.336 717 H2' DG 30 H2' DG 30 -12.077 18.501 6.024 718 H2'' DG 30 H2" DG 30 -10.740 19.625 6.222 719 H1' DG 30 H1' DG 30 -9.136 18.097 5.319 720 H8 DG 30 8H DG 30 -12.803 17.751 4.307 721 H1 DG 30 1H DG 30 -8.571 16.642 -0.384 722 H21 DG 30 1H2 DG 30 -6.532 16.600 0.419 723 H22 DG 30 2H2 DG 30 -6.190 16.846 2.118 Start of MODEL 11 1 H LEU 407 H LEU 407 6.685 8.693 3.497 2 HA LEU 407 HA LEU 407 8.084 8.129 0.983 3 HB2 LEU 407 2HB LEU 407 7.947 6.136 2.526 4 HB3 LEU 407 1HB LEU 407 6.202 6.296 2.467 5 HG LEU 407 HG LEU 407 6.241 5.895 0.043 6 HD11 LEU 407 2HD1 LEU 407 9.138 6.129 0.487 7 HD12 LEU 407 3HD1 LEU 407 8.172 6.490 -0.945 8 HD13 LEU 407 1HD1 LEU 407 8.638 4.826 -0.589 9 HD21 LEU 407 1HD2 LEU 407 7.510 3.509 0.404 10 HD22 LEU 407 2HD2 LEU 407 5.846 3.853 0.877 11 HD23 LEU 407 3HD2 LEU 407 7.144 3.979 2.065 12 H LEU 408 H LEU 408 6.563 10.386 1.455 13 HA LEU 408 HA LEU 408 3.843 9.816 0.599 14 HB2 LEU 408 2HB LEU 408 4.558 11.592 2.327 15 HB3 LEU 408 1HB LEU 408 5.023 12.553 0.937 16 HG LEU 408 HG LEU 408 2.480 11.847 0.254 17 HD11 LEU 408 1HD1 LEU 408 2.374 12.415 3.206 18 HD12 LEU 408 2HD1 LEU 408 2.249 10.791 2.527 19 HD13 LEU 408 3HD1 LEU 408 1.039 12.011 2.126 20 HD21 LEU 408 3HD2 LEU 408 1.876 14.146 1.091 21 HD22 LEU 408 1HD2 LEU 408 3.280 14.066 0.026 22 HD23 LEU 408 2HD2 LEU 408 3.504 14.239 1.767 23 H ASP 409 H ASP 409 6.816 10.359 -0.890 24 HA ASP 409 HA ASP 409 5.810 10.274 -3.478 25 HB2 ASP 409 2HB ASP 409 5.142 12.687 -2.624 26 HB3 ASP 409 1HB ASP 409 6.816 13.053 -3.029 27 H ASP 410 H ASP 410 7.395 9.675 -4.800 28 HA ASP 410 HA ASP 410 10.169 10.388 -4.120 29 HB2 ASP 410 2HB ASP 410 10.869 8.124 -4.851 30 HB3 ASP 410 1HB ASP 410 9.821 8.077 -3.437 31 H GLY 411 H GLY 411 8.024 11.260 -6.083 32 HA2 GLY 411 2HA GLY 411 8.769 12.450 -8.107 33 HA3 GLY 411 1HA GLY 411 9.670 10.999 -8.525 34 H TYR 412 H TYR 412 7.248 9.447 -7.448 35 HA TYR 412 HA TYR 412 5.592 9.728 -9.870 36 HB2 TYR 412 2HB TYR 412 6.028 7.205 -8.262 37 HB3 TYR 412 1HB TYR 412 5.196 7.349 -9.807 38 HD1 TYR 412 2HD TYR 412 6.850 8.711 -11.588 39 HD2 TYR 412 1HD TYR 412 8.047 6.131 -8.426 40 HE1 TYR 412 2HE TYR 412 8.956 8.254 -12.765 41 HE2 TYR 412 1HE TYR 412 10.158 5.668 -9.595 42 HH TYR 412 HH TYR 412 11.606 6.960 -11.367 43 H ARG 413 H ARG 413 3.471 8.219 -9.280 44 HA ARG 413 HA ARG 413 2.337 9.497 -6.877 45 HB2 ARG 413 2HB ARG 413 0.921 8.640 -9.411 46 HB3 ARG 413 1HB ARG 413 0.144 9.350 -8.002 47 HG2 ARG 413 2HG ARG 413 2.343 10.804 -9.413 48 HG3 ARG 413 1HG ARG 413 0.689 10.846 -10.030 49 HD2 ARG 413 2HD ARG 413 1.042 12.759 -8.614 50 HD3 ARG 413 1HD ARG 413 -0.066 11.649 -7.814 51 HE ARG 413 HE ARG 413 2.772 11.518 -7.125 52 HH11 ARG 413 1HH1 ARG 413 -0.478 12.438 -6.222 53 HH12 ARG 413 2HH1 ARG 413 -0.102 12.564 -4.538 54 HH21 ARG 413 1HH2 ARG 413 3.258 11.688 -4.911 55 HH22 ARG 413 2HH2 ARG 413 2.014 12.141 -3.793 56 H TRP 414 H TRP 414 2.120 8.105 -5.267 57 HA TRP 414 HA TRP 414 1.459 5.309 -5.911 58 HB2 TRP 414 2HB TRP 414 2.829 6.367 -3.432 59 HB3 TRP 414 1HB TRP 414 2.590 4.673 -3.863 60 HD1 TRP 414 HD TRP 414 4.656 7.751 -4.891 61 HE1 TRP 414 1HE TRP 414 6.697 6.943 -6.237 62 HE3 TRP 414 3HE TRP 414 3.465 2.801 -5.250 63 HZ2 TRP 414 2HZ TRP 414 7.669 4.515 -7.314 64 HZ3 TRP 414 3HZ TRP 414 4.996 1.297 -6.462 65 HH2 TRP 414 HH TRP 414 7.057 2.139 -7.468 66 H ARG 415 H ARG 415 -0.246 4.337 -4.985 67 HA ARG 415 HA ARG 415 -1.942 6.003 -3.249 68 HB2 ARG 415 2HB ARG 415 -2.922 5.465 -5.440 69 HB3 ARG 415 1HB ARG 415 -2.743 3.751 -5.097 70 HG2 ARG 415 2HG ARG 415 -4.162 4.851 -2.933 71 HG3 ARG 415 1HG ARG 415 -4.873 5.522 -4.400 72 HD2 ARG 415 2HD ARG 415 -4.298 2.595 -4.237 73 HD3 ARG 415 1HD ARG 415 -5.729 3.249 -3.442 74 HE ARG 415 HE ARG 415 -5.432 4.039 -6.198 75 HH11 ARG 415 1HH1 ARG 415 -6.746 1.662 -4.004 76 HH12 ARG 415 2HH1 ARG 415 -7.944 1.108 -5.125 77 HH21 ARG 415 1HH2 ARG 415 -7.010 3.312 -7.670 78 HH22 ARG 415 2HH2 ARG 415 -8.094 2.044 -7.205 79 H LYS 416 H LYS 416 -1.848 5.423 -1.195 80 HA LYS 416 HA LYS 416 -0.865 2.984 -0.213 81 HB2 LYS 416 2HB LYS 416 -1.038 5.159 1.047 82 HB3 LYS 416 1HB LYS 416 -2.765 4.873 1.192 83 HG2 LYS 416 2HG LYS 416 -2.344 2.853 2.478 84 HG3 LYS 416 1HG LYS 416 -0.603 3.086 2.294 85 HD2 LYS 416 2HD LYS 416 -0.941 4.007 4.371 86 HD3 LYS 416 1HD LYS 416 -1.129 5.434 3.347 87 HE2 LYS 416 2HE LYS 416 -3.599 4.981 3.345 88 HE3 LYS 416 1HE LYS 416 -3.306 3.746 4.567 89 HZ1 LYS 416 3HZ LYS 416 -3.851 6.299 5.124 90 HZ2 LYS 416 1HZ LYS 416 -2.159 6.345 5.137 91 HZ3 LYS 416 2HZ LYS 416 -2.985 5.278 6.156 92 H TYR 417 H TYR 417 -1.904 1.126 0.544 93 HA TYR 417 HA TYR 417 -4.759 0.947 0.572 94 HB2 TYR 417 2HB TYR 417 -5.208 -0.365 -1.282 95 HB3 TYR 417 1HB TYR 417 -4.020 0.770 -1.905 96 HD1 TYR 417 2HD TYR 417 -4.343 -2.680 -0.528 97 HD2 TYR 417 1HD TYR 417 -2.106 -0.016 -2.973 98 HE1 TYR 417 2HE TYR 417 -2.971 -4.565 -1.305 99 HE2 TYR 417 1HE TYR 417 -0.726 -1.890 -3.760 100 HH TYR 417 HH TYR 417 -1.546 -5.171 -3.134 101 H GLY 418 H GLY 418 -5.462 -0.549 1.893 102 HA2 GLY 418 2HA GLY 418 -5.546 -2.407 3.224 103 HA3 GLY 418 1HA GLY 418 -4.196 -3.061 2.315 104 H GLN 419 H GLN 419 -4.197 -3.694 4.836 105 HA GLN 419 HA GLN 419 -1.785 -2.635 5.851 106 HB2 GLN 419 2HB GLN 419 -3.396 -0.806 6.501 107 HB3 GLN 419 1HB GLN 419 -4.224 -1.982 7.512 108 HG2 GLN 419 2HG GLN 419 -2.850 -1.415 9.149 109 HG3 GLN 419 1HG GLN 419 -1.554 -2.191 8.243 110 HE21 GLN 419 1HE2 GLN 419 -3.015 0.807 9.160 111 HE22 GLN 419 2HE2 GLN 419 -1.758 1.840 8.578 112 H LYS 420 H LYS 420 -0.922 -4.491 6.468 113 HA LYS 420 HA LYS 420 -2.535 -6.319 8.121 114 HB2 LYS 420 2HB LYS 420 -2.347 -7.174 5.824 115 HB3 LYS 420 1HB LYS 420 -0.596 -7.083 5.932 116 HG2 LYS 420 2HG LYS 420 -0.979 -9.303 6.331 117 HG3 LYS 420 1HG LYS 420 -0.905 -8.659 7.972 118 HD2 LYS 420 2HD LYS 420 -3.077 -9.104 8.372 119 HD3 LYS 420 1HD LYS 420 -3.575 -8.606 6.754 120 HE2 LYS 420 2HE LYS 420 -3.073 -10.704 5.834 121 HE3 LYS 420 1HE LYS 420 -2.106 -11.179 7.231 122 HZ1 LYS 420 3HZ LYS 420 -4.023 -12.315 7.637 123 HZ2 LYS 420 1HZ LYS 420 -5.018 -11.157 6.906 124 HZ3 LYS 420 2HZ LYS 420 -4.385 -10.876 8.449 125 H VAL 421 H VAL 421 -1.394 -7.537 9.693 126 HA VAL 421 HA VAL 421 1.300 -6.501 10.284 127 HB VAL 421 HB VAL 421 -0.346 -5.839 11.980 128 HG11 VAL 421 1HG1 VAL 421 -2.005 -7.512 11.838 129 HG12 VAL 421 2HG1 VAL 421 -1.293 -7.672 13.444 130 HG13 VAL 421 3HG1 VAL 421 -0.844 -8.800 12.164 131 HG21 VAL 421 3HG2 VAL 421 1.877 -6.141 12.772 132 HG22 VAL 421 1HG2 VAL 421 1.682 -7.893 12.843 133 HG23 VAL 421 2HG2 VAL 421 0.798 -6.862 13.967 134 H VAL 422 H VAL 422 2.901 -7.957 10.885 135 HA VAL 422 HA VAL 422 2.196 -10.805 10.619 136 HB VAL 422 HB VAL 422 4.533 -11.087 9.637 137 HG11 VAL 422 1HG1 VAL 422 2.234 -9.794 8.219 138 HG12 VAL 422 2HG1 VAL 422 2.766 -11.474 8.175 139 HG13 VAL 422 3HG1 VAL 422 3.706 -10.231 7.350 140 HG21 VAL 422 3HG2 VAL 422 4.209 -8.105 9.358 141 HG22 VAL 422 1HG2 VAL 422 5.339 -9.057 8.395 142 HG23 VAL 422 2HG2 VAL 422 5.520 -8.982 10.147 143 H LYS 423 H LYS 423 3.499 -12.303 11.706 144 HA LYS 423 HA LYS 423 4.443 -11.399 14.269 145 HB2 LYS 423 2HB LYS 423 4.589 -14.195 13.138 146 HB3 LYS 423 1HB LYS 423 4.621 -13.722 14.832 147 HG2 LYS 423 2HG LYS 423 2.447 -14.206 14.826 148 HG3 LYS 423 1HG LYS 423 2.245 -12.668 13.984 149 HD2 LYS 423 2HD LYS 423 2.763 -14.148 11.866 150 HD3 LYS 423 1HD LYS 423 2.189 -15.449 12.913 151 HE2 LYS 423 2HE LYS 423 0.077 -14.386 13.203 152 HE3 LYS 423 1HE LYS 423 0.648 -12.908 12.428 153 HZ1 LYS 423 3HZ LYS 423 -0.116 -15.467 11.213 154 HZ2 LYS 423 1HZ LYS 423 1.047 -14.516 10.435 155 HZ3 LYS 423 2HZ LYS 423 -0.496 -13.891 10.729 156 H GLY 424 H GLY 424 6.561 -12.735 15.026 157 HA2 GLY 424 2HA GLY 424 8.859 -12.908 14.859 158 HA3 GLY 424 1HA GLY 424 8.652 -13.009 13.113 159 H ASN 425 H ASN 425 7.079 -10.367 13.565 160 HA ASN 425 HA ASN 425 9.051 -8.408 14.200 161 HB2 ASN 425 2HB ASN 425 9.688 -9.071 11.861 162 HB3 ASN 425 1HB ASN 425 8.076 -8.605 11.332 163 HD21 ASN 425 1HD2 ASN 425 7.536 -6.447 11.207 164 HD22 ASN 425 2HD2 ASN 425 8.715 -5.187 11.288 165 HA PRO 426 HA PRO 426 4.309 -8.065 15.045 166 HB2 PRO 426 2HB PRO 426 5.867 -6.512 17.088 167 HB3 PRO 426 1HB PRO 426 4.340 -7.378 17.270 168 HG2 PRO 426 2HG PRO 426 6.680 -8.463 18.027 169 HG3 PRO 426 1HG PRO 426 5.364 -9.444 17.359 170 HD2 PRO 426 2HD PRO 426 7.959 -8.774 16.182 171 HD3 PRO 426 1HD PRO 426 6.798 -10.018 15.693 172 H TYR 427 H TYR 427 4.642 -6.817 12.911 173 HA TYR 427 HA TYR 427 4.119 -4.013 13.530 174 HB2 TYR 427 2HB TYR 427 6.463 -4.920 11.886 175 HB3 TYR 427 1HB TYR 427 5.745 -3.330 11.649 176 HD1 TYR 427 2HD TYR 427 7.274 -5.507 14.264 177 HD2 TYR 427 1HD TYR 427 6.384 -1.539 13.009 178 HE1 TYR 427 2HE TYR 427 8.620 -4.625 16.118 179 HE2 TYR 427 1HE TYR 427 7.731 -0.649 14.863 180 HH TYR 427 HH TYR 427 9.793 -2.633 16.759 181 HA PRO 428 HA PRO 428 1.341 -4.560 10.112 182 HB2 PRO 428 2HB PRO 428 0.257 -2.122 10.085 183 HB3 PRO 428 1HB PRO 428 -0.013 -3.220 11.444 184 HG2 PRO 428 2HG PRO 428 1.849 -0.893 11.230 185 HG3 PRO 428 1HG PRO 428 0.845 -1.403 12.598 186 HD2 PRO 428 2HD PRO 428 3.550 -1.950 12.316 187 HD3 PRO 428 1HD PRO 428 2.432 -2.847 13.361 188 H ARG 429 H ARG 429 1.778 -4.555 7.992 189 HA ARG 429 HA ARG 429 3.677 -2.600 6.937 190 HB2 ARG 429 2HB ARG 429 2.610 -4.828 5.267 191 HB3 ARG 429 1HB ARG 429 4.219 -4.123 5.298 192 HG2 ARG 429 2HG ARG 429 4.799 -5.996 6.365 193 HG3 ARG 429 1HG ARG 429 4.062 -5.242 7.778 194 HD2 ARG 429 2HD ARG 429 2.547 -6.859 7.867 195 HD3 ARG 429 1HD ARG 429 2.015 -6.472 6.233 196 HE ARG 429 HE ARG 429 4.192 -8.363 6.854 197 HH11 ARG 429 1HH1 ARG 429 1.477 -7.372 4.881 198 HH12 ARG 429 2HH1 ARG 429 1.586 -8.745 3.836 199 HH21 ARG 429 1HH2 ARG 429 4.324 -10.162 5.472 200 HH22 ARG 429 2HH2 ARG 429 3.193 -10.328 4.170 201 H SER 430 H SER 430 3.264 -1.923 4.610 202 HA SER 430 HA SER 430 0.421 -1.406 4.099 203 HB2 SER 430 2HB SER 430 2.276 0.813 3.453 204 HB3 SER 430 1HB SER 430 0.624 0.867 4.066 205 HG SER 430 HG SER 430 1.387 0.463 6.117 206 H TYR 431 H TYR 431 -0.140 -1.247 1.906 207 HA TYR 431 HA TYR 431 2.008 -2.081 0.073 208 HB2 TYR 431 2HB TYR 431 -0.956 -2.478 -0.342 209 HB3 TYR 431 1HB TYR 431 0.367 -3.236 -1.224 210 HD1 TYR 431 1HD TYR 431 -1.303 -3.100 2.092 211 HD2 TYR 431 2HD TYR 431 1.313 -5.262 -0.475 212 HE1 TYR 431 1HE TYR 431 -1.370 -5.014 3.642 213 HE2 TYR 431 2HE TYR 431 1.252 -7.177 1.067 214 HH TYR 431 HH TYR 431 -0.848 -7.842 3.092 215 H TYR 432 H TYR 432 2.765 -0.256 -0.864 216 HA TYR 432 HA TYR 432 0.866 1.735 -1.878 217 HB2 TYR 432 2HB TYR 432 3.832 1.760 -1.370 218 HB3 TYR 432 1HB TYR 432 3.071 2.988 -2.373 219 HD1 TYR 432 1HD TYR 432 3.414 1.671 1.029 220 HD2 TYR 432 2HD TYR 432 1.642 4.672 -1.407 221 HE1 TYR 432 1HE TYR 432 2.860 2.966 3.046 222 HE2 TYR 432 2HE TYR 432 1.078 5.979 0.604 223 HH TYR 432 HH TYR 432 1.909 6.186 2.956 224 H LYS 433 H LYS 433 0.290 1.683 -3.973 225 HA LYS 433 HA LYS 433 2.166 0.427 -5.866 226 HB2 LYS 433 2HB LYS 433 0.338 -0.399 -7.156 227 HB3 LYS 433 1HB LYS 433 0.049 -0.851 -5.483 228 HG2 LYS 433 2HG LYS 433 -1.621 0.822 -5.235 229 HG3 LYS 433 1HG LYS 433 -1.207 1.550 -6.788 230 HD2 LYS 433 2HD LYS 433 -2.879 0.304 -7.611 231 HD3 LYS 433 1HD LYS 433 -1.742 -1.042 -7.489 232 HE2 LYS 433 2HE LYS 433 -3.003 -0.578 -4.950 233 HE3 LYS 433 1HE LYS 433 -4.226 -0.761 -6.206 234 HZ1 LYS 433 3HZ LYS 433 -2.042 -2.680 -6.251 235 HZ2 LYS 433 1HZ LYS 433 -3.694 -2.910 -6.538 236 HZ3 LYS 433 2HZ LYS 433 -3.117 -2.813 -4.951 237 H CYS 434 H CYS 434 2.935 1.643 -7.439 238 HA CYS 434 HA CYS 434 2.189 4.382 -7.684 239 HB2 CYS 434 2HB CYS 434 4.457 4.000 -8.088 240 HB3 CYS 434 1HB CYS 434 4.145 2.576 -9.071 241 H THR 435 H THR 435 0.848 5.338 -9.070 242 HA THR 435 HA THR 435 -0.498 3.653 -11.068 243 HB THR 435 HB THR 435 -2.228 5.542 -11.036 244 HG1 THR 435 1HG THR 435 -2.113 7.002 -9.430 245 HG21 THR 435 3HG2 THR 435 -1.969 4.104 -8.407 246 HG22 THR 435 1HG2 THR 435 -2.394 3.264 -9.900 247 HG23 THR 435 2HG2 THR 435 -3.439 4.542 -9.279 248 H THR 436 H THR 436 -1.008 4.632 -13.144 249 HA THR 436 HA THR 436 0.031 7.124 -13.955 250 HB THR 436 HB THR 436 1.565 4.670 -14.828 251 HG1 THR 436 1HG THR 436 2.248 6.916 -13.239 252 HG21 THR 436 3HG2 THR 436 2.147 7.498 -15.662 253 HG22 THR 436 1HG2 THR 436 1.094 6.444 -16.606 254 HG23 THR 436 2HG2 THR 436 2.779 6.000 -16.345 255 HA PRO 437 HA PRO 437 -3.168 6.638 -16.970 256 HB2 PRO 437 2HB PRO 437 -1.466 7.221 -19.221 257 HB3 PRO 437 1HB PRO 437 -2.672 8.257 -18.460 258 HG2 PRO 437 2HG PRO 437 0.251 8.175 -18.056 259 HG3 PRO 437 1HG PRO 437 -0.889 9.504 -17.779 260 HD2 PRO 437 2HD PRO 437 0.247 8.180 -15.735 261 HD3 PRO 437 1HD PRO 437 -1.431 8.756 -15.645 262 H GLY 438 H GLY 438 -0.041 5.471 -18.214 263 HA2 GLY 438 2HA GLY 438 -1.431 2.990 -19.022 264 HA3 GLY 438 1HA GLY 438 -0.100 3.691 -19.923 265 H CYS 439 H CYS 439 -0.029 3.572 -16.420 266 HA CYS 439 HA CYS 439 1.661 1.194 -16.511 267 HB2 CYS 439 2HB CYS 439 3.542 2.369 -16.448 268 HB3 CYS 439 1HB CYS 439 2.674 3.874 -16.235 269 H GLY 440 H GLY 440 2.196 0.289 -14.496 270 HA2 GLY 440 2HA GLY 440 0.841 1.145 -12.090 271 HA3 GLY 440 1HA GLY 440 0.170 -0.314 -12.805 272 H VAL 441 H VAL 441 2.507 0.920 -10.721 273 HA VAL 441 HA VAL 441 3.896 -1.681 -10.658 274 HB VAL 441 HB VAL 441 5.037 1.095 -10.389 275 HG11 VAL 441 1HG1 VAL 441 7.156 0.062 -9.625 276 HG12 VAL 441 2HG1 VAL 441 6.298 -1.464 -9.414 277 HG13 VAL 441 3HG1 VAL 441 5.856 -0.064 -8.440 278 HG21 VAL 441 3HG2 VAL 441 5.963 -1.313 -11.942 279 HG22 VAL 441 1HG2 VAL 441 6.627 0.318 -12.028 280 HG23 VAL 441 2HG2 VAL 441 4.989 0.001 -12.600 281 H ARG 442 H ARG 442 4.721 -2.294 -8.495 282 HA ARG 442 HA ARG 442 2.985 -1.186 -6.401 283 HB2 ARG 442 2HB ARG 442 3.800 -3.903 -7.128 284 HB3 ARG 442 1HB ARG 442 3.939 -3.564 -5.408 285 HG2 ARG 442 2HG ARG 442 1.447 -2.543 -6.275 286 HG3 ARG 442 1HG ARG 442 1.617 -4.175 -6.927 287 HD2 ARG 442 2HD ARG 442 2.265 -3.611 -4.059 288 HD3 ARG 442 1HD ARG 442 0.593 -3.843 -4.565 289 HE ARG 442 HE ARG 442 2.694 -5.853 -4.491 290 HH11 ARG 442 1HH1 ARG 442 -0.553 -5.020 -5.482 291 HH12 ARG 442 2HH1 ARG 442 -1.058 -6.669 -5.628 292 HH21 ARG 442 1HH2 ARG 442 2.026 -8.013 -4.687 293 HH22 ARG 442 2HH2 ARG 442 0.402 -8.367 -5.178 294 H LYS 443 H LYS 443 3.975 -1.758 -4.136 295 HA LYS 443 HA LYS 443 6.785 -1.619 -3.804 296 HB2 LYS 443 2HB LYS 443 6.737 0.636 -4.469 297 HB3 LYS 443 1HB LYS 443 5.214 0.941 -3.650 298 HG2 LYS 443 2HG LYS 443 6.239 1.025 -1.540 299 HG3 LYS 443 1HG LYS 443 7.723 0.282 -2.144 300 HD2 LYS 443 2HD LYS 443 8.172 2.600 -1.861 301 HD3 LYS 443 1HD LYS 443 8.024 2.312 -3.595 302 HE2 LYS 443 2HE LYS 443 5.768 3.175 -3.587 303 HE3 LYS 443 1HE LYS 443 5.812 3.358 -1.833 304 HZ1 LYS 443 3HZ LYS 443 7.976 4.765 -2.666 305 HZ2 LYS 443 1HZ LYS 443 6.472 5.428 -2.263 306 HZ3 LYS 443 2HZ LYS 443 6.842 5.091 -3.877 307 H HIS 444 H HIS 444 7.306 -2.218 -1.738 308 HA HIS 444 HA HIS 444 5.050 -2.441 0.140 309 HB2 HIS 444 2HB HIS 444 6.975 -4.348 -0.779 310 HB3 HIS 444 1HB HIS 444 7.198 -4.114 0.951 311 HD1 HIS 444 1HD HIS 444 5.080 -5.809 -1.489 312 HD2 HIS 444 2HD HIS 444 4.783 -4.646 2.489 313 HE1 HIS 444 1HE HIS 444 3.156 -7.124 -0.546 314 HE2 HIS 444 2HE HIS 444 3.083 -6.501 1.894 315 H VAL 445 H VAL 445 5.240 -1.749 2.212 316 HA VAL 445 HA VAL 445 7.785 -0.493 3.007 317 HB VAL 445 HB VAL 445 5.063 0.624 3.677 318 HG11 VAL 445 1HG1 VAL 445 6.195 2.486 4.555 319 HG12 VAL 445 2HG1 VAL 445 7.724 2.010 3.815 320 HG13 VAL 445 3HG1 VAL 445 7.071 1.081 5.166 321 HG21 VAL 445 3HG2 VAL 445 5.578 0.702 1.223 322 HG22 VAL 445 1HG2 VAL 445 6.973 1.707 1.616 323 HG23 VAL 445 2HG2 VAL 445 5.346 2.276 1.984 324 H GLU 446 H GLU 446 8.548 -1.396 4.829 325 HA GLU 446 HA GLU 446 6.628 -2.326 6.847 326 HB2 GLU 446 2HB GLU 446 8.642 -3.885 5.365 327 HB3 GLU 446 1HB GLU 446 8.639 -4.145 7.104 328 HG2 GLU 446 2HG GLU 446 7.121 -5.705 6.578 329 HG3 GLU 446 1HG GLU 446 6.015 -4.333 6.621 330 H ARG 447 H ARG 447 7.431 -2.430 8.991 331 HA ARG 447 HA ARG 447 9.612 -0.542 9.483 332 HB2 ARG 447 2HB ARG 447 7.463 -1.668 11.285 333 HB3 ARG 447 1HB ARG 447 8.754 -0.616 11.851 334 HG2 ARG 447 2HG ARG 447 6.926 0.800 11.530 335 HG3 ARG 447 1HG ARG 447 7.937 1.050 10.105 336 HD2 ARG 447 2HD ARG 447 6.521 -0.370 8.783 337 HD3 ARG 447 1HD ARG 447 5.585 -0.834 10.203 338 HE ARG 447 HE ARG 447 5.284 1.846 10.135 339 HH11 ARG 447 1HH1 ARG 447 4.857 -0.648 7.731 340 HH12 ARG 447 2HH1 ARG 447 3.614 0.209 6.881 341 HH21 ARG 447 1HH2 ARG 447 3.653 2.975 9.017 342 HH22 ARG 447 2HH2 ARG 447 2.932 2.266 7.611 343 H ALA 448 H ALA 448 11.090 -1.041 11.329 344 HA ALA 448 HA ALA 448 12.027 -3.792 11.066 345 HB1 ALA 448 1HB ALA 448 13.376 -1.447 12.394 346 HB2 ALA 448 2HB ALA 448 13.599 -1.924 10.710 347 HB3 ALA 448 3HB ALA 448 14.104 -3.007 12.009 348 H ALA 449 H ALA 449 11.834 -5.274 12.605 349 HA ALA 449 HA ALA 449 10.166 -5.107 14.761 350 HB1 ALA 449 1HB ALA 449 10.611 -7.279 14.774 351 HB2 ALA 449 2HB ALA 449 12.183 -6.945 15.504 352 HB3 ALA 449 3HB ALA 449 12.023 -7.014 13.749 353 H THR 450 H THR 450 13.723 -4.797 14.900 354 HA THR 450 HA THR 450 13.590 -3.958 17.666 355 HB THR 450 HB THR 450 16.193 -3.562 16.952 356 HG1 THR 450 1HG THR 450 16.667 -4.684 15.219 357 HG21 THR 450 3HG2 THR 450 16.582 -5.852 17.848 358 HG22 THR 450 1HG2 THR 450 14.842 -6.131 17.785 359 HG23 THR 450 2HG2 THR 450 15.497 -4.882 18.844 360 H ASP 451 H ASP 451 12.491 -2.232 15.411 361 HA ASP 451 HA ASP 451 13.215 0.254 16.485 362 HB2 ASP 451 2HB ASP 451 15.334 -0.326 15.211 363 HB3 ASP 451 1HB ASP 451 14.386 -0.169 13.736 364 HA PRO 452 HA PRO 452 9.281 0.427 14.195 365 HB2 PRO 452 2HB PRO 452 8.701 2.631 16.035 366 HB3 PRO 452 1HB PRO 452 7.839 1.107 15.813 367 HG2 PRO 452 2HG PRO 452 9.278 1.642 18.033 368 HG3 PRO 452 1HG PRO 452 9.115 0.004 17.377 369 HD2 PRO 452 2HD PRO 452 11.398 1.927 17.129 370 HD3 PRO 452 1HD PRO 452 11.427 0.174 17.412 371 H LYS 453 H LYS 453 11.837 2.617 14.589 372 HA LYS 453 HA LYS 453 10.590 4.720 13.003 373 HB2 LYS 453 2HB LYS 453 13.434 4.705 13.975 374 HB3 LYS 453 1HB LYS 453 12.423 6.085 13.574 375 HG2 LYS 453 2HG LYS 453 10.969 5.390 15.542 376 HG3 LYS 453 1HG LYS 453 12.298 4.325 15.999 377 HD2 LYS 453 2HD LYS 453 12.470 7.316 15.634 378 HD3 LYS 453 1HD LYS 453 12.432 6.461 17.178 379 HE2 LYS 453 2HE LYS 453 14.583 6.395 15.076 380 HE3 LYS 453 1HE LYS 453 14.705 6.988 16.732 381 HZ1 LYS 453 3HZ LYS 453 13.939 4.453 17.123 382 HZ2 LYS 453 1HZ LYS 453 15.553 4.963 17.111 383 HZ3 LYS 453 2HZ LYS 453 14.871 4.283 15.721 384 H ALA 454 H ALA 454 12.577 1.967 12.562 385 HA ALA 454 HA ALA 454 13.765 2.954 10.096 386 HB1 ALA 454 1HB ALA 454 15.222 1.218 10.228 387 HB2 ALA 454 2HB ALA 454 14.007 0.101 10.853 388 HB3 ALA 454 3HB ALA 454 14.754 1.283 11.929 389 H VAL 455 H VAL 455 12.884 2.670 8.146 390 HA VAL 455 HA VAL 455 10.730 0.675 7.881 391 HB VAL 455 HB VAL 455 10.969 3.246 6.319 392 HG11 VAL 455 1HG1 VAL 455 8.612 2.743 5.726 393 HG12 VAL 455 2HG1 VAL 455 8.781 1.183 6.532 394 HG13 VAL 455 3HG1 VAL 455 9.762 1.554 5.115 395 HG21 VAL 455 3HG2 VAL 455 10.214 2.958 8.997 396 HG22 VAL 455 1HG2 VAL 455 8.707 3.120 8.099 397 HG23 VAL 455 2HG2 VAL 455 9.954 4.357 7.958 398 H VAL 456 H VAL 456 10.605 -0.536 6.017 399 HA VAL 456 HA VAL 456 13.017 -0.521 4.333 400 HB VAL 456 HB VAL 456 12.910 -2.821 4.087 401 HG11 VAL 456 1HG1 VAL 456 11.612 -3.128 6.681 402 HG12 VAL 456 2HG1 VAL 456 12.828 -1.850 6.650 403 HG13 VAL 456 3HG1 VAL 456 13.265 -3.494 6.187 404 HG21 VAL 456 3HG2 VAL 456 10.667 -3.991 4.987 405 HG22 VAL 456 1HG2 VAL 456 10.895 -3.492 3.311 406 HG23 VAL 456 2HG2 VAL 456 9.999 -2.460 4.425 407 H THR 457 H THR 457 12.796 -0.584 2.073 408 HA THR 457 HA THR 457 10.046 -0.345 1.057 409 HB THR 457 HB THR 457 12.152 1.331 -0.221 410 HG1 THR 457 1HG THR 457 10.888 1.863 2.266 411 HG21 THR 457 3HG2 THR 457 9.311 2.091 0.355 412 HG22 THR 457 1HG2 THR 457 9.679 0.964 -0.951 413 HG23 THR 457 2HG2 THR 457 10.355 2.594 -0.977 414 H THR 458 H THR 458 9.643 -1.754 -0.470 415 HA THR 458 HA THR 458 11.858 -2.703 -2.172 416 HB THR 458 HB THR 458 9.431 -4.392 -1.772 417 HG1 THR 458 1HG THR 458 9.948 -3.976 0.357 418 HG21 THR 458 3HG2 THR 458 12.331 -5.191 -1.901 419 HG22 THR 458 1HG2 THR 458 11.362 -4.903 -3.347 420 HG23 THR 458 2HG2 THR 458 10.908 -6.182 -2.220 421 H TYR 459 H TYR 459 11.599 -2.463 -4.322 422 HA TYR 459 HA TYR 459 9.024 -1.428 -5.263 423 HB2 TYR 459 2HB TYR 459 11.831 -1.242 -6.323 424 HB3 TYR 459 1HB TYR 459 10.450 -0.898 -7.358 425 HD1 TYR 459 2HD TYR 459 8.766 0.876 -6.484 426 HD2 TYR 459 1HD TYR 459 12.728 0.445 -4.996 427 HE1 TYR 459 2HE TYR 459 8.684 3.175 -5.616 428 HE2 TYR 459 1HE TYR 459 12.655 2.743 -4.124 429 HH TYR 459 HH TYR 459 10.184 4.954 -4.968 430 H GLU 460 H GLU 460 7.682 -2.766 -6.242 431 HA GLU 460 HA GLU 460 8.746 -5.202 -7.493 432 HB2 GLU 460 2HB GLU 460 5.869 -4.625 -6.786 433 HB3 GLU 460 1HB GLU 460 6.585 -6.181 -7.186 434 HG2 GLU 460 2HG GLU 460 7.684 -6.335 -5.130 435 HG3 GLU 460 1HG GLU 460 7.470 -4.619 -4.788 436 H GLY 461 H GLY 461 9.252 -4.621 -9.562 437 HA2 GLY 461 2HA GLY 461 8.417 -4.633 -11.803 438 HA3 GLY 461 1HA GLY 461 6.982 -3.793 -11.237 439 H LYS 462 H LYS 462 8.745 -3.128 -13.450 440 HA LYS 462 HA LYS 462 10.044 -0.666 -12.546 441 HB2 LYS 462 2HB LYS 462 10.873 -2.529 -14.335 442 HB3 LYS 462 1HB LYS 462 10.102 -1.378 -15.414 443 HG2 LYS 462 2HG LYS 462 11.533 0.358 -14.056 444 HG3 LYS 462 1HG LYS 462 12.519 -1.065 -13.715 445 HD2 LYS 462 2HD LYS 462 13.528 -0.553 -15.659 446 HD3 LYS 462 1HD LYS 462 12.119 -1.325 -16.391 447 HE2 LYS 462 2HE LYS 462 11.546 0.590 -17.357 448 HE3 LYS 462 1HE LYS 462 11.461 1.380 -15.784 449 HZ1 LYS 462 3HZ LYS 462 13.023 2.593 -16.995 450 HZ2 LYS 462 1HZ LYS 462 13.769 1.210 -17.623 451 HZ3 LYS 462 2HZ LYS 462 13.963 1.608 -15.991 452 H HIS 463 H HIS 463 9.761 1.281 -13.973 453 HA HIS 463 HA HIS 463 6.905 1.602 -14.573 454 HB2 HIS 463 2HB HIS 463 8.984 3.749 -14.112 455 HB3 HIS 463 1HB HIS 463 7.246 3.987 -14.271 456 HD2 HIS 463 2HD HIS 463 9.843 2.829 -11.613 457 HE1 HIS 463 1HE HIS 463 6.030 3.012 -9.766 458 HE2 HIS 463 2HE HIS 463 8.515 2.828 -9.396 459 H ASN 464 H ASN 464 6.198 2.051 -16.561 460 HA ASN 464 HA ASN 464 8.205 2.374 -18.682 461 HB2 ASN 464 2HB ASN 464 6.199 1.767 -20.180 462 HB3 ASN 464 1HB ASN 464 6.892 0.487 -19.189 463 HD21 ASN 464 1HD2 ASN 464 4.089 1.586 -20.268 464 HD22 ASN 464 2HD2 ASN 464 3.044 1.166 -18.959 465 H HIS 465 H HIS 465 8.161 4.649 -17.647 466 HA HIS 465 HA HIS 465 6.915 6.402 -19.496 467 HB2 HIS 465 2HB HIS 465 5.399 7.580 -17.966 468 HB3 HIS 465 1HB HIS 465 4.922 5.896 -18.162 469 HD1 HIS 465 1HD HIS 465 7.029 7.914 -15.705 470 HD2 HIS 465 2HD HIS 465 4.397 4.711 -15.805 471 HE1 HIS 465 1HE HIS 465 6.746 7.202 -13.311 472 H ASP 466 H ASP 466 7.330 8.677 -19.029 473 HA ASP 466 HA ASP 466 9.918 8.999 -17.765 474 HB2 ASP 466 2HB ASP 466 9.640 11.395 -18.606 475 HB3 ASP 466 1HB ASP 466 9.722 10.138 -19.834 476 H LEU 467 H LEU 467 10.167 11.180 -16.509 477 HA LEU 467 HA LEU 467 8.534 10.934 -14.177 478 HB2 LEU 467 2HB LEU 467 11.065 11.934 -14.743 479 HB3 LEU 467 1HB LEU 467 10.141 13.351 -14.289 480 HG LEU 467 HG LEU 467 11.430 12.139 -12.446 481 HD11 LEU 467 1HD1 LEU 467 9.448 12.371 -10.852 482 HD12 LEU 467 2HD1 LEU 467 8.527 12.862 -12.274 483 HD13 LEU 467 3HD1 LEU 467 9.935 13.797 -11.770 484 HD21 LEU 467 3HD2 LEU 467 10.296 9.906 -13.365 485 HD22 LEU 467 1HD2 LEU 467 9.117 10.340 -12.125 486 HD23 LEU 467 2HD2 LEU 467 10.810 10.106 -11.689 487 HA PRO 468 HA PRO 468 5.246 13.599 -15.663 488 HB2 PRO 468 2HB PRO 468 4.626 13.660 -12.753 489 HB3 PRO 468 1HB PRO 468 3.574 13.279 -14.120 490 HG2 PRO 468 2HG PRO 468 4.478 11.347 -12.532 491 HG3 PRO 468 1HG PRO 468 4.354 11.099 -14.285 492 HD2 PRO 468 2HD PRO 468 6.770 11.649 -12.612 493 HD3 PRO 468 1HD PRO 468 6.590 10.573 -14.013 494 H ALA 469 H ALA 469 6.348 15.461 -16.224 495 HA ALA 469 HA ALA 469 7.095 17.603 -16.065 496 HB1 ALA 469 1HB ALA 469 6.103 18.850 -13.969 497 HB2 ALA 469 2HB ALA 469 5.102 17.401 -13.864 498 HB3 ALA 469 3HB ALA 469 5.077 18.388 -15.326 499 H5' DC 3 H5' DC 3 -6.549 11.338 -11.629 500 H5'' DC 3 H5" DC 3 -6.042 9.744 -11.037 501 H4' DC 3 H4' DC 3 -4.930 11.772 -10.013 502 H3' DC 3 H3' DC 3 -5.268 9.358 -8.886 503 H2' DC 3 H2' DC 3 -7.359 9.734 -7.787 504 H2'' DC 3 H2" DC 3 -6.249 10.215 -6.510 505 H1' DC 3 H1' DC 3 -6.476 12.538 -6.986 506 H41 DC 3 1H4 DC 3 -12.666 13.569 -6.209 507 H42 DC 3 2H4 DC 3 -13.090 12.158 -7.152 508 H5 DC 3 5H DC 3 -11.437 10.739 -8.211 509 H6 DC 3 6H DC 3 -9.051 10.389 -8.579 510 H5' DC 4 H5' DC 4 -2.910 11.555 -5.255 511 H5'' DC 4 H5" DC 4 -1.910 10.243 -4.598 512 H4' DC 4 H4' DC 4 -3.250 11.209 -2.850 513 H3' DC 4 H3' DC 4 -3.814 8.388 -3.618 514 H2' DC 4 H2' DC 4 -5.859 8.336 -2.487 515 H2'' DC 4 H2" DC 4 -5.255 9.366 -1.198 516 H1' DC 4 H1' DC 4 -6.112 11.259 -2.140 517 H41 DC 4 1H4 DC 4 -11.679 10.106 -4.892 518 H42 DC 4 2H4 DC 4 -10.991 8.893 -5.949 519 H5 DC 4 5H DC 4 -8.646 8.288 -5.905 520 H6 DC 4 6H DC 4 -6.493 8.724 -4.842 521 H5' DT 5 H5' DT 5 -4.016 10.352 0.116 522 H5'' DT 5 H5" DT 5 -2.940 9.639 1.337 523 H4' DT 5 H4' DT 5 -4.763 10.686 2.453 524 H3' DT 5 H3' DT 5 -4.099 8.166 3.095 525 H2' DT 5 H2' DT 5 -5.661 6.979 1.733 526 H2'' DT 5 H2" DT 5 -6.619 7.162 3.196 527 H1' DT 5 H1' DT 5 -7.846 9.006 2.343 528 H3 DT 5 3H DT 5 -10.508 7.858 -1.082 529 H71 DT 5 1H7 DT 5 -6.563 4.927 -2.095 530 H72 DT 5 2H7 DT 5 -7.086 5.957 -3.448 531 H73 DT 5 3H7 DT 5 -5.616 6.369 -2.532 532 H6 DT 5 6H DT 5 -5.881 7.154 -0.177 533 H5' DT 6 H5' DT 6 -7.223 8.636 6.226 534 H5'' DT 6 H5" DT 6 -6.548 8.420 7.856 535 H4' DT 6 H4' DT 6 -7.768 6.586 8.005 536 H3' DT 6 H3' DT 6 -5.713 5.607 6.054 537 H2' DT 6 H2' DT 6 -7.042 3.714 5.538 538 H2'' DT 6 H2" DT 6 -7.886 3.769 7.077 539 H1' DT 6 H1' DT 6 -9.596 4.932 6.086 540 H3 DT 6 3H DT 6 -10.894 5.191 1.798 541 H71 DT 6 1H7 DT 6 -5.549 5.007 1.760 542 H72 DT 6 2H7 DT 6 -6.230 3.473 1.168 543 H73 DT 6 3H7 DT 6 -6.538 4.984 0.281 544 H6 DT 6 6H DT 6 -6.645 4.819 3.931 545 H5' DT 7 H5' DT 7 -6.682 2.861 10.148 546 H5'' DT 7 H5" DT 7 -6.074 1.229 9.801 547 H4' DT 7 H4' DT 7 -8.706 1.979 10.121 548 H3' DT 7 H3' DT 7 -7.488 -0.411 10.038 549 H2' DT 7 H2' DT 7 -7.206 -0.612 7.668 550 H2'' DT 7 H2" DT 7 -8.769 -1.390 7.865 551 H1' DT 7 H1' DT 7 -9.983 0.557 7.213 552 H3 DT 7 3H DT 7 -9.416 1.033 2.823 553 H71 DT 7 1H7 DT 7 -4.957 1.944 3.161 554 H72 DT 7 2H7 DT 7 -4.533 0.721 4.382 555 H73 DT 7 3H7 DT 7 -4.765 2.417 4.866 556 H6 DT 7 6H DT 7 -6.390 1.159 6.507 557 H5' DG 8 H5' DG 8 -12.372 -0.979 9.912 558 H5'' DG 8 H5" DG 8 -12.563 -2.157 11.227 559 H4' DG 8 H4' DG 8 -14.182 -2.537 9.464 560 H3' DG 8 H3' DG 8 -12.865 -4.558 10.638 561 H2' DG 8 H2' DG 8 -11.060 -4.779 9.074 562 H2'' DG 8 H2" DG 8 -12.210 -5.926 8.402 563 H1' DG 8 H1' DG 8 -13.011 -4.377 6.764 564 H8 DG 8 8H DG 8 -9.511 -3.693 8.205 565 H1 DG 8 1H DG 8 -10.067 -3.060 1.845 566 H21 DG 8 1H2 DG 8 -12.160 -3.271 1.237 567 H22 DG 8 2H2 DG 8 -13.443 -3.568 2.388 568 H5' DA 9 H5' DA 9 -16.174 -5.689 7.210 569 H5'' DA 9 H5" DA 9 -16.985 -7.035 8.040 570 H4' DA 9 H4' DA 9 -17.160 -7.181 5.600 571 H3' DA 9 H3' DA 9 -16.818 -9.314 7.160 572 H2' DA 9 H2' DA 9 -14.421 -9.391 7.179 573 H2'' DA 9 H2" DA 9 -14.767 -10.471 5.838 574 H1' DA 9 H1' DA 9 -14.327 -8.806 4.193 575 H8 DA 9 8H DA 9 -12.834 -8.141 7.675 576 H61 DA 9 2H6 DA 9 -8.356 -6.912 6.233 577 H62 DA 9 1H6 DA 9 -7.624 -6.687 4.660 578 H2 DA 9 2H DA 9 -10.824 -7.467 1.618 579 H5' DC 10 H5' DC 10 -17.181 -10.028 2.342 580 H5'' DC 10 H5" DC 10 -18.143 -11.520 2.298 581 H4' DC 10 H4' DC 10 -16.753 -11.215 0.300 582 H3' DC 10 H3' DC 10 -17.162 -13.595 1.460 583 H2' DC 10 H2' DC 10 -15.249 -13.660 2.898 584 H2'' DC 10 H2" DC 10 -14.592 -14.448 1.470 585 H1' DC 10 H1' DC 10 -13.500 -12.478 0.703 586 H41 DC 10 1H4 DC 10 -9.651 -10.989 5.501 587 H42 DC 10 2H4 DC 10 -10.930 -11.199 6.674 588 H5 DC 10 5H DC 10 -13.198 -11.775 6.067 589 H6 DC 10 6H DC 10 -14.701 -12.271 4.211 590 H5' DC 11 H5' DC 11 -14.760 -14.894 -2.413 591 H5'' DC 11 H5" DC 11 -15.582 -16.317 -3.088 592 H4' DC 11 H4' DC 11 -13.335 -16.925 -2.738 593 H3' DC 11 H3' DC 11 -15.336 -18.225 -1.070 594 H2' DC 11 H2' DC 11 -14.058 -18.326 0.873 595 H2'' DC 11 H2" DC 11 -12.840 -19.210 -0.036 596 H1' DC 11 H1' DC 11 -11.565 -17.317 -0.526 597 H41 DC 11 1H4 DC 11 -10.343 -14.670 5.102 598 H42 DC 11 2H4 DC 11 -12.002 -14.866 5.615 599 H5 DC 11 5H DC 11 -13.729 -15.792 4.201 600 H6 DC 11 6H DC 11 -14.218 -16.723 1.999 601 H5' DA 12 H5' DA 12 -11.631 -19.991 -2.148 602 H5'' DA 12 H5" DA 12 -11.785 -21.380 -3.244 603 H4' DA 12 H4' DA 12 -9.808 -21.853 -2.213 604 H3' DA 12 H3' DA 12 -11.719 -23.630 -1.572 605 H2' DA 12 H2' DA 12 -12.433 -22.684 0.506 606 H2'' DA 12 H2" DA 12 -11.188 -23.786 1.076 607 H1' DA 12 H1' DA 12 -9.539 -22.068 1.243 608 H8 DA 12 8H DA 12 -13.227 -21.012 1.401 609 H61 DA 12 2H6 DA 12 -12.847 -17.893 5.112 610 H62 DA 12 1H6 DA 12 -11.485 -17.262 6.013 611 H2 DA 12 2H DA 12 -7.799 -19.111 4.256 612 H5' DT 21 H5' DT 21 -3.479 -18.488 10.584 613 H5'' DT 21 H5" DT 21 -1.725 -18.569 10.311 614 H4' DT 21 H4' DT 21 -2.023 -17.796 8.278 615 H3' DT 21 H3' DT 21 -2.776 -15.351 9.772 616 H2' DT 21 H2' DT 21 -4.302 -14.612 8.173 617 H2'' DT 21 H2" DT 21 -3.216 -15.061 6.866 618 H1' DT 21 H1' DT 21 -4.204 -17.095 6.521 619 H3 DT 21 3H DT 21 -8.635 -17.549 6.107 620 H71 DT 21 1H7 DT 21 -9.548 -14.706 9.558 621 H72 DT 21 2H7 DT 21 -8.253 -13.517 9.280 622 H73 DT 21 3H7 DT 21 -8.059 -14.767 10.532 623 H6 DT 21 6H DT 21 -5.876 -15.132 9.154 624 H5' DG 22 H5' DG 22 -0.999 -15.966 5.197 625 H5'' DG 22 H5" DG 22 0.320 -14.804 5.455 626 H4' DG 22 H4' DG 22 -0.127 -14.598 3.204 627 H3' DG 22 H3' DG 22 -1.307 -12.403 4.786 628 H2' DG 22 H2' DG 22 -2.744 -11.627 3.059 629 H2'' DG 22 H2" DG 22 -1.834 -12.439 1.797 630 H1' DG 22 H1' DG 22 -3.538 -14.022 1.983 631 H8 DG 22 8H DG 22 -3.122 -12.800 5.636 632 H1 DG 22 1H DG 22 -8.989 -14.779 3.950 633 H21 DG 22 1H2 DG 22 -8.983 -15.526 1.927 634 H22 DG 22 2H2 DG 22 -7.573 -15.572 0.910 635 H5' DG 23 H5' DG 23 -0.220 -11.785 0.364 636 H5'' DG 23 H5" DG 23 0.111 -10.064 0.074 637 H4' DG 23 H4' DG 23 -1.715 -11.289 -1.294 638 H3' DG 23 H3' DG 23 -1.325 -8.640 -0.916 639 H2' DG 23 H2' DG 23 -2.743 -8.325 0.984 640 H2'' DG 23 H2" DG 23 -3.895 -8.035 -0.313 641 H1' DG 23 H1' DG 23 -4.773 -10.260 -0.222 642 H8 DG 23 8H DG 23 -2.771 -9.612 3.030 643 H1 DG 23 1H DG 23 -8.992 -10.962 3.783 644 H21 DG 23 1H2 DG 23 -9.923 -11.330 1.879 645 H22 DG 23 2H2 DG 23 -9.101 -11.261 0.350 646 H5' DT 24 H5' DT 24 -4.749 -9.065 -3.948 647 H5'' DT 24 H5" DT 24 -4.510 -8.138 -5.445 648 H4' DT 24 H4' DT 24 -6.580 -7.424 -4.757 649 H3' DT 24 H3' DT 24 -4.485 -5.484 -3.978 650 H2' DT 24 H2' DT 24 -5.717 -4.537 -2.244 651 H2'' DT 24 H2" DT 24 -7.170 -4.524 -3.235 652 H1' DT 24 H1' DT 24 -7.964 -6.503 -2.392 653 H3 DT 24 3H DT 24 -8.358 -6.804 2.037 654 H71 DT 24 1H7 DT 24 -3.525 -4.801 1.221 655 H72 DT 24 2H7 DT 24 -3.285 -6.506 1.669 656 H73 DT 24 3H7 DT 24 -4.075 -5.390 2.808 657 H6 DT 24 6H DT 24 -4.681 -5.792 -0.827 658 H5' DC 25 H5' DC 25 -8.722 -4.958 -4.401 659 H5'' DC 25 H5" DC 25 -8.513 -4.816 -6.158 660 H4' DC 25 H4' DC 25 -10.577 -4.037 -6.207 661 H3' DC 25 H3' DC 25 -8.997 -1.728 -5.654 662 H2' DC 25 H2' DC 25 -10.237 -0.603 -4.025 663 H2'' DC 25 H2" DC 25 -11.765 -1.146 -4.703 664 H1' DC 25 H1' DC 25 -11.847 -2.563 -2.897 665 H41 DC 25 1H4 DC 25 -7.351 -2.688 1.536 666 H42 DC 25 2H4 DC 25 -6.089 -2.399 0.362 667 H5 DC 25 5H DC 25 -6.517 -2.185 -2.010 668 H6 DC 25 6H DC 25 -8.243 -2.217 -3.733 669 H5' DA 26 H5' DA 26 -13.519 -1.743 -6.153 670 H5'' DA 26 H5" DA 26 -14.065 -0.368 -7.137 671 H4' DA 26 H4' DA 26 -15.428 -0.893 -5.087 672 H3' DA 26 H3' DA 26 -15.139 1.513 -6.231 673 H2' DA 26 H2' DA 26 -13.213 2.252 -4.996 674 H2'' DA 26 H2" DA 26 -14.513 2.931 -4.029 675 H1' DA 26 H1' DA 26 -14.457 1.123 -2.445 676 H8 DA 26 8H DA 26 -11.242 1.614 -4.510 677 H61 DA 26 2H6 DA 26 -8.101 1.702 -0.801 678 H62 DA 26 1H6 DA 26 -8.278 1.476 0.926 679 H2 DA 26 2H DA 26 -12.620 0.655 1.685 680 H5' DA 27 H5' DA 27 -18.344 2.012 -2.168 681 H5'' DA 27 H5" DA 27 -19.535 2.680 -3.303 682 H4' DA 27 H4' DA 27 -19.763 3.699 -1.122 683 H3' DA 27 H3' DA 27 -19.882 5.163 -3.340 684 H2' DA 27 H2' DA 27 -17.578 5.757 -3.568 685 H2'' DA 27 H2" DA 27 -18.154 7.123 -2.625 686 H1' DA 27 H1' DA 27 -17.296 6.278 -0.590 687 H8 DA 27 8H DA 27 -15.739 5.181 -3.864 688 H61 DA 27 2H6 DA 27 -11.134 4.771 -2.366 689 H62 DA 27 1H6 DA 27 -10.376 4.834 -0.790 690 H2 DA 27 2H DA 27 -13.650 5.523 2.196 691 H5' DA 28 H5' DA 28 -19.503 7.768 0.758 692 H5'' DA 28 H5" DA 28 -20.846 8.908 0.532 693 H4' DA 28 H4' DA 28 -19.188 10.036 1.765 694 H3' DA 28 H3' DA 28 -20.081 11.179 -0.519 695 H2' DA 28 H2' DA 28 -18.301 10.581 -1.983 696 H2'' DA 28 H2" DA 28 -17.653 12.086 -1.344 697 H1' DA 28 H1' DA 28 -16.261 10.991 0.240 698 H8 DA 28 8H DA 28 -17.381 8.949 -2.813 699 H61 DA 28 2H6 DA 28 -13.070 6.984 -3.902 700 H62 DA 28 1H6 DA 28 -11.510 7.002 -3.109 701 H2 DA 28 2H DA 28 -11.986 9.418 0.637 702 H5' DG 29 H5' DG 29 -17.743 14.592 2.468 703 H5'' DG 29 H5" DG 29 -18.388 16.092 1.768 704 H4' DG 29 H4' DG 29 -15.954 16.061 2.526 705 H3' DG 29 H3' DG 29 -17.121 17.627 0.630 706 H2' DG 29 H2' DG 29 -16.512 16.370 -1.306 707 H2'' DG 29 H2" DG 29 -15.094 17.401 -1.164 708 H1' DG 29 H1' DG 29 -13.819 15.729 -0.014 709 H8 DG 29 8H DG 29 -16.798 14.289 -2.024 710 H1 DG 29 1H DG 29 -11.078 11.618 -3.160 711 H21 DG 29 1H2 DG 29 -9.556 12.480 -1.837 712 H22 DG 29 2H2 DG 29 -9.932 13.721 -0.663 713 H5' DG 30 H5' DG 30 -12.330 19.283 1.790 714 H5'' DG 30 H5" DG 30 -12.928 20.956 1.783 715 H4' DG 30 H4' DG 30 -10.607 20.776 1.023 716 H3' DG 30 H3' DG 30 -12.384 22.450 -0.075 717 H2' DG 30 H2' DG 30 -13.184 21.056 -1.844 718 H2'' DG 30 H2" DG 30 -11.875 21.888 -2.673 719 H1' DG 30 H1' DG 30 -10.359 20.071 -2.414 720 H8 DG 30 8H DG 30 -14.104 19.291 -2.213 721 H1 DG 30 1H DG 30 -10.570 14.964 -5.365 722 H21 DG 30 1H2 DG 30 -8.436 15.425 -5.162 723 H22 DG 30 2H2 DG 30 -7.859 16.803 -4.250 Start of MODEL 12 1 H LEU 407 H LEU 407 8.631 5.198 0.826 2 HA LEU 407 HA LEU 407 6.732 5.185 -1.408 3 HB2 LEU 407 2HB LEU 407 5.259 6.440 0.223 4 HB3 LEU 407 1HB LEU 407 5.397 4.714 0.471 5 HG LEU 407 HG LEU 407 5.407 6.091 2.560 6 HD11 LEU 407 2HD1 LEU 407 6.600 4.520 3.609 7 HD12 LEU 407 3HD1 LEU 407 8.036 4.800 2.627 8 HD13 LEU 407 1HD1 LEU 407 6.727 3.797 2.007 9 HD21 LEU 407 1HD2 LEU 407 8.139 6.933 1.605 10 HD22 LEU 407 2HD2 LEU 407 7.436 7.272 3.183 11 HD23 LEU 407 3HD2 LEU 407 6.723 7.977 1.732 12 H LEU 408 H LEU 408 9.340 6.247 -1.448 13 HA LEU 408 HA LEU 408 9.319 9.007 -0.717 14 HB2 LEU 408 2HB LEU 408 11.144 7.958 -2.830 15 HB3 LEU 408 1HB LEU 408 11.466 9.121 -1.559 16 HG LEU 408 HG LEU 408 10.966 6.783 -0.164 17 HD11 LEU 408 1HD1 LEU 408 12.610 6.141 -2.607 18 HD12 LEU 408 2HD1 LEU 408 11.023 5.480 -2.217 19 HD13 LEU 408 3HD1 LEU 408 12.409 5.103 -1.196 20 HD21 LEU 408 3HD2 LEU 408 13.326 6.849 0.354 21 HD22 LEU 408 1HD2 LEU 408 12.692 8.494 0.276 22 HD23 LEU 408 2HD2 LEU 408 13.639 7.849 -1.064 23 H ASP 409 H ASP 409 7.092 9.162 -1.845 24 HA ASP 409 HA ASP 409 6.649 9.182 -4.532 25 HB2 ASP 409 2HB ASP 409 5.255 10.033 -2.368 26 HB3 ASP 409 1HB ASP 409 5.567 11.561 -3.178 27 H ASP 410 H ASP 410 8.307 9.773 -5.795 28 HA ASP 410 HA ASP 410 8.609 12.550 -6.379 29 HB2 ASP 410 2HB ASP 410 10.291 11.710 -4.401 30 HB3 ASP 410 1HB ASP 410 11.274 11.413 -5.833 31 H GLY 411 H GLY 411 7.664 10.502 -7.884 32 HA2 GLY 411 2HA GLY 411 9.115 10.716 -10.263 33 HA3 GLY 411 1HA GLY 411 9.547 9.182 -9.517 34 H TYR 412 H TYR 412 7.371 8.157 -8.518 35 HA TYR 412 HA TYR 412 5.378 8.157 -10.687 36 HB2 TYR 412 2HB TYR 412 6.340 5.781 -9.073 37 HB3 TYR 412 1HB TYR 412 5.064 5.743 -10.287 38 HD1 TYR 412 1HD TYR 412 6.306 7.470 -12.378 39 HD2 TYR 412 2HD TYR 412 7.960 4.359 -9.994 40 HE1 TYR 412 1HE TYR 412 7.974 7.026 -14.123 41 HE2 TYR 412 2HE TYR 412 9.635 3.908 -11.735 42 HH TYR 412 HH TYR 412 10.140 6.019 -14.393 43 H ARG 413 H ARG 413 3.206 7.791 -10.059 44 HA ARG 413 HA ARG 413 2.617 8.791 -7.421 45 HB2 ARG 413 2HB ARG 413 1.291 9.499 -9.380 46 HB3 ARG 413 1HB ARG 413 0.740 7.845 -9.598 47 HG2 ARG 413 2HG ARG 413 -0.939 9.252 -8.504 48 HG3 ARG 413 1HG ARG 413 -0.421 7.913 -7.478 49 HD2 ARG 413 2HD ARG 413 -0.442 9.720 -6.020 50 HD3 ARG 413 1HD ARG 413 1.250 9.604 -6.489 51 HE ARG 413 HE ARG 413 -0.453 11.445 -7.983 52 HH11 ARG 413 1HH1 ARG 413 2.040 10.992 -5.574 53 HH12 ARG 413 2HH1 ARG 413 2.558 12.641 -5.630 54 HH21 ARG 413 1HH2 ARG 413 0.229 13.611 -8.045 55 HH22 ARG 413 2HH2 ARG 413 1.532 14.126 -7.027 56 H TRP 414 H TRP 414 2.088 7.655 -5.670 57 HA TRP 414 HA TRP 414 1.546 4.778 -6.016 58 HB2 TRP 414 2HB TRP 414 3.006 6.091 -3.715 59 HB3 TRP 414 1HB TRP 414 2.723 4.364 -3.922 60 HD1 TRP 414 HD TRP 414 4.895 7.222 -5.231 61 HE1 TRP 414 1HE TRP 414 6.850 6.226 -6.582 62 HE3 TRP 414 3HE TRP 414 3.389 2.340 -5.332 63 HZ2 TRP 414 2HZ TRP 414 7.640 3.681 -7.561 64 HZ3 TRP 414 3HZ TRP 414 4.793 0.691 -6.499 65 HH2 TRP 414 HH TRP 414 6.875 1.351 -7.587 66 H ARG 415 H ARG 415 -0.043 3.840 -4.813 67 HA ARG 415 HA ARG 415 -1.723 5.669 -3.224 68 HB2 ARG 415 2HB ARG 415 -2.803 4.976 -5.307 69 HB3 ARG 415 1HB ARG 415 -2.551 3.286 -4.892 70 HG2 ARG 415 2HG ARG 415 -4.011 3.563 -2.940 71 HG3 ARG 415 1HG ARG 415 -4.291 5.241 -3.409 72 HD2 ARG 415 2HD ARG 415 -6.114 4.268 -4.374 73 HD3 ARG 415 1HD ARG 415 -4.962 4.115 -5.701 74 HE ARG 415 HE ARG 415 -4.686 1.816 -4.226 75 HH11 ARG 415 1HH1 ARG 415 -7.298 3.411 -5.903 76 HH12 ARG 415 2HH1 ARG 415 -8.125 1.935 -6.277 77 HH21 ARG 415 1HH2 ARG 415 -5.773 -0.126 -4.716 78 HH22 ARG 415 2HH2 ARG 415 -7.259 -0.072 -5.603 79 H LYS 416 H LYS 416 -1.500 5.249 -1.123 80 HA LYS 416 HA LYS 416 -0.632 2.712 -0.121 81 HB2 LYS 416 2HB LYS 416 -0.113 4.908 0.965 82 HB3 LYS 416 1HB LYS 416 -1.805 5.035 1.419 83 HG2 LYS 416 2HG LYS 416 -1.635 3.087 2.813 84 HG3 LYS 416 1HG LYS 416 0.017 2.794 2.266 85 HD2 LYS 416 2HD LYS 416 0.885 4.410 3.595 86 HD3 LYS 416 1HD LYS 416 -0.521 5.460 3.417 87 HE2 LYS 416 2HE LYS 416 -1.699 3.603 4.843 88 HE3 LYS 416 1HE LYS 416 -0.049 3.218 5.330 89 HZ1 LYS 416 3HZ LYS 416 -0.677 6.028 5.447 90 HZ2 LYS 416 1HZ LYS 416 0.078 5.038 6.593 91 HZ3 LYS 416 2HZ LYS 416 -1.609 5.082 6.493 92 H TYR 417 H TYR 417 -2.056 1.066 -0.460 93 HA TYR 417 HA TYR 417 -4.805 1.469 0.508 94 HB2 TYR 417 2HB TYR 417 -5.561 -0.190 -1.025 95 HB3 TYR 417 1HB TYR 417 -4.514 0.898 -1.925 96 HD1 TYR 417 1HD TYR 417 -4.385 -2.350 -0.076 97 HD2 TYR 417 2HD TYR 417 -2.870 -0.005 -3.283 98 HE1 TYR 417 1HE TYR 417 -3.066 -4.274 -0.854 99 HE2 TYR 417 2HE TYR 417 -1.555 -1.927 -4.071 100 HH TYR 417 HH TYR 417 -0.849 -4.532 -2.281 101 H GLY 418 H GLY 418 -5.794 -0.071 1.781 102 HA2 GLY 418 2HA GLY 418 -5.965 -1.784 3.307 103 HA3 GLY 418 1HA GLY 418 -4.528 -2.493 2.587 104 H GLN 419 H GLN 419 -4.502 -2.939 5.077 105 HA GLN 419 HA GLN 419 -2.277 -1.642 6.137 106 HB2 GLN 419 2HB GLN 419 -4.297 0.079 6.388 107 HB3 GLN 419 1HB GLN 419 -4.618 -0.889 7.821 108 HG2 GLN 419 2HG GLN 419 -1.827 -0.023 7.456 109 HG3 GLN 419 1HG GLN 419 -2.999 1.252 7.785 110 HE21 GLN 419 1HE2 GLN 419 -3.945 1.386 9.779 111 HE22 GLN 419 2HE2 GLN 419 -3.453 0.427 11.130 112 H LYS 420 H LYS 420 -1.399 -2.965 7.614 113 HA LYS 420 HA LYS 420 -2.994 -4.531 9.421 114 HB2 LYS 420 2HB LYS 420 -2.333 -5.640 6.882 115 HB3 LYS 420 1HB LYS 420 -1.394 -6.489 8.101 116 HG2 LYS 420 2HG LYS 420 -3.940 -6.328 9.189 117 HG3 LYS 420 1HG LYS 420 -4.209 -6.664 7.477 118 HD2 LYS 420 2HD LYS 420 -2.099 -8.336 8.240 119 HD3 LYS 420 1HD LYS 420 -3.260 -8.415 9.565 120 HE2 LYS 420 2HE LYS 420 -4.855 -9.412 8.290 121 HE3 LYS 420 1HE LYS 420 -4.345 -8.589 6.816 122 HZ1 LYS 420 3HZ LYS 420 -3.688 -10.727 6.403 123 HZ2 LYS 420 1HZ LYS 420 -3.306 -11.059 8.016 124 HZ3 LYS 420 2HZ LYS 420 -2.270 -10.106 7.080 125 H VAL 421 H VAL 421 -1.743 -5.680 10.982 126 HA VAL 421 HA VAL 421 0.999 -4.640 11.218 127 HB VAL 421 HB VAL 421 -0.502 -3.978 13.039 128 HG11 VAL 421 1HG1 VAL 421 -0.812 -6.946 13.444 129 HG12 VAL 421 2HG1 VAL 421 -2.074 -5.776 13.061 130 HG13 VAL 421 3HG1 VAL 421 -1.283 -5.734 14.637 131 HG21 VAL 421 3HG2 VAL 421 1.839 -4.217 13.560 132 HG22 VAL 421 1HG2 VAL 421 1.640 -5.948 13.831 133 HG23 VAL 421 2HG2 VAL 421 0.884 -4.792 14.927 134 H VAL 422 H VAL 422 2.707 -6.000 11.636 135 HA VAL 422 HA VAL 422 2.116 -8.888 11.547 136 HB VAL 422 HB VAL 422 4.292 -9.166 10.353 137 HG11 VAL 422 1HG1 VAL 422 1.998 -7.677 9.136 138 HG12 VAL 422 2HG1 VAL 422 2.437 -9.377 8.972 139 HG13 VAL 422 3HG1 VAL 422 3.393 -8.136 8.161 140 HG21 VAL 422 3HG2 VAL 422 5.366 -7.285 9.325 141 HG22 VAL 422 1HG2 VAL 422 5.229 -6.966 11.055 142 HG23 VAL 422 2HG2 VAL 422 4.122 -6.186 9.925 143 H LYS 423 H LYS 423 3.224 -10.224 12.895 144 HA LYS 423 HA LYS 423 4.509 -9.052 15.166 145 HB2 LYS 423 2HB LYS 423 4.434 -11.993 14.529 146 HB3 LYS 423 1HB LYS 423 4.465 -11.216 16.106 147 HG2 LYS 423 2HG LYS 423 2.275 -11.683 16.112 148 HG3 LYS 423 1HG LYS 423 2.151 -10.233 15.112 149 HD2 LYS 423 2HD LYS 423 2.728 -12.140 13.250 150 HD3 LYS 423 1HD LYS 423 1.761 -13.055 14.408 151 HE2 LYS 423 2HE LYS 423 0.021 -11.293 14.270 152 HE3 LYS 423 1HE LYS 423 0.973 -10.496 13.020 153 HZ1 LYS 423 3HZ LYS 423 -0.902 -12.051 12.301 154 HZ2 LYS 423 1HZ LYS 423 0.143 -13.313 12.728 155 HZ3 LYS 423 2HZ LYS 423 0.593 -12.211 11.526 156 H GLY 424 H GLY 424 6.571 -10.503 15.930 157 HA2 GLY 424 2HA GLY 424 8.810 -10.966 15.581 158 HA3 GLY 424 1HA GLY 424 8.443 -11.159 13.871 159 H ASN 425 H ASN 425 7.187 -8.361 14.152 160 HA ASN 425 HA ASN 425 9.371 -6.569 14.541 161 HB2 ASN 425 2HB ASN 425 9.981 -7.327 12.313 162 HB3 ASN 425 1HB ASN 425 8.328 -7.123 11.748 163 HD21 ASN 425 1HD2 ASN 425 8.682 -5.655 10.179 164 HD22 ASN 425 2HD2 ASN 425 9.289 -4.062 10.458 165 HA PRO 426 HA PRO 426 4.824 -5.605 15.715 166 HB2 PRO 426 2HB PRO 426 6.761 -3.852 17.196 167 HB3 PRO 426 1HB PRO 426 5.207 -4.492 17.730 168 HG2 PRO 426 2HG PRO 426 7.547 -5.665 18.389 169 HG3 PRO 426 1HG PRO 426 6.057 -6.592 18.142 170 HD2 PRO 426 2HD PRO 426 8.482 -6.555 16.529 171 HD3 PRO 426 1HD PRO 426 7.090 -7.649 16.423 172 H TYR 427 H TYR 427 4.933 -4.806 13.347 173 HA TYR 427 HA TYR 427 4.612 -1.916 13.464 174 HB2 TYR 427 2HB TYR 427 6.709 -3.234 11.756 175 HB3 TYR 427 1HB TYR 427 6.043 -1.657 11.353 176 HD1 TYR 427 1HD TYR 427 7.831 -3.505 14.051 177 HD2 TYR 427 2HD TYR 427 6.892 0.284 12.361 178 HE1 TYR 427 1HE TYR 427 9.460 -2.443 15.546 179 HE2 TYR 427 2HE TYR 427 8.517 1.358 13.859 180 HH TYR 427 HH TYR 427 10.775 -0.440 15.711 181 HA PRO 428 HA PRO 428 1.454 -2.932 10.527 182 HB2 PRO 428 2HB PRO 428 0.573 -0.476 9.963 183 HB3 PRO 428 1HB PRO 428 0.370 -1.168 11.578 184 HG2 PRO 428 2HG PRO 428 2.393 0.808 10.606 185 HG3 PRO 428 1HG PRO 428 1.496 0.784 12.134 186 HD2 PRO 428 2HD PRO 428 4.092 -0.109 11.819 187 HD3 PRO 428 1HD PRO 428 3.002 -0.615 13.123 188 H ARG 429 H ARG 429 1.607 -3.492 8.444 189 HA ARG 429 HA ARG 429 3.586 -2.194 6.756 190 HB2 ARG 429 2HB ARG 429 2.259 -4.797 6.841 191 HB3 ARG 429 1HB ARG 429 2.369 -4.138 5.215 192 HG2 ARG 429 2HG ARG 429 4.886 -3.699 6.213 193 HG3 ARG 429 1HG ARG 429 4.441 -5.250 6.928 194 HD2 ARG 429 2HD ARG 429 3.705 -5.093 4.127 195 HD3 ARG 429 1HD ARG 429 5.429 -4.820 4.370 196 HE ARG 429 HE ARG 429 5.663 -7.017 4.990 197 HH11 ARG 429 1HH1 ARG 429 2.270 -6.199 4.946 198 HH12 ARG 429 2HH1 ARG 429 1.747 -7.839 5.129 199 HH21 ARG 429 1HH2 ARG 429 4.975 -9.172 5.229 200 HH22 ARG 429 2HH2 ARG 429 3.281 -9.527 5.290 201 H SER 430 H SER 430 3.140 -1.407 4.660 202 HA SER 430 HA SER 430 0.333 -0.657 4.176 203 HB2 SER 430 2HB SER 430 2.773 1.087 3.736 204 HB3 SER 430 1HB SER 430 1.118 1.517 3.309 205 HG SER 430 HG SER 430 2.250 1.176 5.872 206 H TYR 431 H TYR 431 -0.362 -0.770 2.044 207 HA TYR 431 HA TYR 431 1.541 -2.069 0.224 208 HB2 TYR 431 2HB TYR 431 -1.467 -1.982 -0.012 209 HB3 TYR 431 1HB TYR 431 -0.356 -2.996 -0.927 210 HD1 TYR 431 1HD TYR 431 -1.578 -2.351 2.532 211 HD2 TYR 431 2HD TYR 431 0.191 -5.133 -0.158 212 HE1 TYR 431 1HE TYR 431 -1.810 -4.123 4.222 213 HE2 TYR 431 2HE TYR 431 -0.036 -6.913 1.524 214 HH TYR 431 HH TYR 431 -1.284 -7.447 3.487 215 H TYR 432 H TYR 432 2.526 -0.063 -0.375 216 HA TYR 432 HA TYR 432 0.973 1.945 -1.760 217 HB2 TYR 432 2HB TYR 432 3.896 1.540 -1.189 218 HB3 TYR 432 1HB TYR 432 3.383 2.745 -2.359 219 HD1 TYR 432 1HD TYR 432 2.098 4.717 -1.619 220 HD2 TYR 432 2HD TYR 432 3.628 1.885 1.162 221 HE1 TYR 432 1HE TYR 432 1.797 6.346 0.198 222 HE2 TYR 432 2HE TYR 432 3.330 3.503 2.988 223 HH TYR 432 HH TYR 432 1.564 6.423 2.585 224 H LYS 433 H LYS 433 0.283 1.609 -3.810 225 HA LYS 433 HA LYS 433 2.018 0.003 -5.574 226 HB2 LYS 433 2HB LYS 433 0.001 -0.617 -6.828 227 HB3 LYS 433 1HB LYS 433 -0.094 -1.123 -5.149 228 HG2 LYS 433 2HG LYS 433 -1.571 0.698 -4.629 229 HG3 LYS 433 1HG LYS 433 -1.383 1.362 -6.252 230 HD2 LYS 433 2HD LYS 433 -2.421 -1.419 -5.819 231 HD3 LYS 433 1HD LYS 433 -3.492 -0.021 -5.736 232 HE2 LYS 433 2HE LYS 433 -3.358 0.387 -7.967 233 HE3 LYS 433 1HE LYS 433 -1.697 -0.192 -8.082 234 HZ1 LYS 433 3HZ LYS 433 -2.631 -1.957 -9.056 235 HZ2 LYS 433 1HZ LYS 433 -4.174 -1.623 -8.449 236 HZ3 LYS 433 2HZ LYS 433 -3.048 -2.443 -7.490 237 H CYS 434 H CYS 434 2.455 0.717 -7.633 238 HA CYS 434 HA CYS 434 2.052 3.554 -8.067 239 HB2 CYS 434 2HB CYS 434 4.267 2.881 -8.519 240 HB3 CYS 434 1HB CYS 434 3.747 1.439 -9.379 241 H THR 435 H THR 435 0.797 4.437 -9.625 242 HA THR 435 HA THR 435 -0.768 2.582 -11.294 243 HB THR 435 HB THR 435 -2.609 4.124 -11.244 244 HG1 THR 435 1HG THR 435 -2.348 6.079 -9.893 245 HG21 THR 435 3HG2 THR 435 -2.057 2.627 -9.183 246 HG22 THR 435 1HG2 THR 435 -3.328 3.843 -9.058 247 HG23 THR 435 2HG2 THR 435 -1.732 4.165 -8.382 248 H THR 436 H THR 436 -1.131 3.210 -13.498 249 HA THR 436 HA THR 436 -0.216 5.658 -14.551 250 HB THR 436 HB THR 436 1.486 3.416 -15.554 251 HG1 THR 436 1HG THR 436 2.192 5.010 -13.300 252 HG21 THR 436 3HG2 THR 436 1.634 6.406 -15.434 253 HG22 THR 436 1HG2 THR 436 1.721 5.342 -16.839 254 HG23 THR 436 2HG2 THR 436 3.083 5.442 -15.724 255 HA PRO 437 HA PRO 437 -3.166 4.237 -17.550 256 HB2 PRO 437 2HB PRO 437 -2.157 5.661 -19.727 257 HB3 PRO 437 1HB PRO 437 -3.335 6.266 -18.560 258 HG2 PRO 437 2HG PRO 437 -0.387 6.705 -18.682 259 HG3 PRO 437 1HG PRO 437 -1.675 7.828 -18.203 260 HD2 PRO 437 2HD PRO 437 -0.107 6.639 -16.383 261 HD3 PRO 437 1HD PRO 437 -1.832 6.932 -16.068 262 H GLY 438 H GLY 438 -2.196 2.064 -17.457 263 HA2 GLY 438 2HA GLY 438 -1.828 0.456 -19.286 264 HA3 GLY 438 1HA GLY 438 -0.541 1.518 -19.836 265 H CYS 439 H CYS 439 -0.395 1.593 -16.540 266 HA CYS 439 HA CYS 439 1.248 -0.822 -16.331 267 HB2 CYS 439 2HB CYS 439 3.146 0.340 -16.394 268 HB3 CYS 439 1HB CYS 439 2.258 1.851 -16.498 269 H GLY 440 H GLY 440 1.604 -1.615 -14.278 270 HA2 GLY 440 2HA GLY 440 0.327 -0.345 -11.988 271 HA3 GLY 440 1HA GLY 440 -0.372 -1.874 -12.503 272 H VAL 441 H VAL 441 2.001 -0.397 -10.617 273 HA VAL 441 HA VAL 441 3.347 -2.987 -10.174 274 HB VAL 441 HB VAL 441 4.478 -0.208 -10.313 275 HG11 VAL 441 1HG1 VAL 441 6.568 -1.073 -9.257 276 HG12 VAL 441 2HG1 VAL 441 5.661 -2.495 -8.743 277 HG13 VAL 441 3HG1 VAL 441 5.212 -0.899 -8.142 278 HG21 VAL 441 3HG2 VAL 441 5.332 -2.893 -11.383 279 HG22 VAL 441 1HG2 VAL 441 6.257 -1.403 -11.570 280 HG23 VAL 441 2HG2 VAL 441 4.656 -1.543 -12.296 281 H ARG 442 H ARG 442 3.953 -3.465 -7.959 282 HA ARG 442 HA ARG 442 2.447 -1.867 -6.002 283 HB2 ARG 442 2HB ARG 442 3.023 -4.834 -5.995 284 HB3 ARG 442 1HB ARG 442 2.234 -3.962 -4.688 285 HG2 ARG 442 2HG ARG 442 0.280 -4.286 -5.669 286 HG3 ARG 442 1HG ARG 442 0.828 -3.342 -7.054 287 HD2 ARG 442 2HD ARG 442 0.916 -5.161 -8.325 288 HD3 ARG 442 1HD ARG 442 1.957 -5.975 -7.162 289 HE ARG 442 HE ARG 442 -0.987 -6.044 -7.147 290 HH11 ARG 442 1HH1 ARG 442 2.095 -7.427 -6.228 291 HH12 ARG 442 2HH1 ARG 442 1.390 -8.876 -5.597 292 HH21 ARG 442 1HH2 ARG 442 -1.900 -7.953 -6.316 293 HH22 ARG 442 2HH2 ARG 442 -0.870 -9.175 -5.645 294 H LYS 443 H LYS 443 3.341 -1.646 -3.912 295 HA LYS 443 HA LYS 443 6.145 -2.390 -3.546 296 HB2 LYS 443 2HB LYS 443 6.274 -0.186 -4.542 297 HB3 LYS 443 1HB LYS 443 5.085 0.440 -3.414 298 HG2 LYS 443 2HG LYS 443 7.143 -0.597 -1.833 299 HG3 LYS 443 1HG LYS 443 7.933 0.259 -3.154 300 HD2 LYS 443 2HD LYS 443 5.774 1.395 -1.389 301 HD3 LYS 443 1HD LYS 443 7.498 1.707 -1.206 302 HE2 LYS 443 2HE LYS 443 6.152 2.247 -3.815 303 HE3 LYS 443 1HE LYS 443 5.980 3.391 -2.485 304 HZ1 LYS 443 3HZ LYS 443 8.153 3.987 -2.593 305 HZ2 LYS 443 1HZ LYS 443 7.941 3.554 -4.215 306 HZ3 LYS 443 2HZ LYS 443 8.676 2.475 -3.139 307 H HIS 444 H HIS 444 6.594 -2.944 -1.485 308 HA HIS 444 HA HIS 444 4.469 -2.501 0.514 309 HB2 HIS 444 2HB HIS 444 6.460 -4.743 0.184 310 HB3 HIS 444 1HB HIS 444 5.551 -4.506 1.672 311 HD1 HIS 444 1HD HIS 444 5.302 -5.925 -1.706 312 HD2 HIS 444 2HD HIS 444 2.708 -4.881 1.367 313 HE1 HIS 444 1HE HIS 444 3.128 -7.069 -2.244 314 HE2 HIS 444 2HE HIS 444 1.613 -6.520 -0.307 315 H VAL 445 H VAL 445 4.913 -1.375 2.305 316 HA VAL 445 HA VAL 445 7.720 -0.627 2.796 317 HB VAL 445 HB VAL 445 5.257 0.870 3.688 318 HG11 VAL 445 1HG1 VAL 445 6.696 2.632 4.270 319 HG12 VAL 445 2HG1 VAL 445 8.060 1.908 3.417 320 HG13 VAL 445 3HG1 VAL 445 7.462 1.174 4.906 321 HG21 VAL 445 3HG2 VAL 445 5.542 0.683 1.179 322 HG22 VAL 445 1HG2 VAL 445 7.019 1.626 1.376 323 HG23 VAL 445 2HG2 VAL 445 5.464 2.314 1.839 324 H GLU 446 H GLU 446 8.626 -1.445 4.564 325 HA GLU 446 HA GLU 446 6.942 -1.966 6.918 326 HB2 GLU 446 2HB GLU 446 7.859 -3.987 5.387 327 HB3 GLU 446 1HB GLU 446 9.241 -3.779 6.455 328 HG2 GLU 446 2HG GLU 446 7.998 -4.310 8.359 329 HG3 GLU 446 1HG GLU 446 6.460 -4.066 7.531 330 H ARG 447 H ARG 447 8.001 -1.758 8.943 331 HA ARG 447 HA ARG 447 10.361 -0.031 8.813 332 HB2 ARG 447 2HB ARG 447 8.092 -0.351 10.671 333 HB3 ARG 447 1HB ARG 447 9.641 -0.018 11.433 334 HG2 ARG 447 2HG ARG 447 9.109 2.123 11.093 335 HG3 ARG 447 1HG ARG 447 9.617 1.823 9.431 336 HD2 ARG 447 2HD ARG 447 7.527 1.990 8.642 337 HD3 ARG 447 1HD ARG 447 6.857 1.043 9.970 338 HE ARG 447 HE ARG 447 7.624 3.802 10.525 339 HH11 ARG 447 1HH1 ARG 447 5.064 1.506 9.901 340 HH12 ARG 447 2HH1 ARG 447 3.829 2.523 10.560 341 HH21 ARG 447 1HH2 ARG 447 5.997 5.133 11.387 342 HH22 ARG 447 2HH2 ARG 447 4.356 4.579 11.400 343 H ALA 448 H ALA 448 11.995 -0.300 10.578 344 HA ALA 448 HA ALA 448 12.819 -3.082 10.665 345 HB1 ALA 448 1HB ALA 448 14.467 -1.405 10.064 346 HB2 ALA 448 2HB ALA 448 14.927 -2.201 11.568 347 HB3 ALA 448 3HB ALA 448 14.225 -0.584 11.606 348 H ALA 449 H ALA 449 12.858 -4.370 12.428 349 HA ALA 449 HA ALA 449 11.271 -3.705 14.672 350 HB1 ALA 449 1HB ALA 449 11.328 -5.897 15.086 351 HB2 ALA 449 2HB ALA 449 13.091 -5.945 15.081 352 HB3 ALA 449 3HB ALA 449 12.200 -6.034 13.560 353 H THR 450 H THR 450 14.525 -3.026 13.952 354 HA THR 450 HA THR 450 15.098 -2.522 16.799 355 HB THR 450 HB THR 450 17.556 -2.395 15.644 356 HG1 THR 450 1HG THR 450 17.666 -3.629 13.917 357 HG21 THR 450 3HG2 THR 450 16.984 -3.645 17.665 358 HG22 THR 450 1HG2 THR 450 17.936 -4.640 16.564 359 HG23 THR 450 2HG2 THR 450 16.193 -4.882 16.688 360 H ASP 451 H ASP 451 13.779 -0.832 14.637 361 HA ASP 451 HA ASP 451 14.764 1.658 15.428 362 HB2 ASP 451 2HB ASP 451 16.735 1.029 14.069 363 HB3 ASP 451 1HB ASP 451 15.690 0.848 12.662 364 HA PRO 452 HA PRO 452 10.587 1.883 13.614 365 HB2 PRO 452 2HB PRO 452 10.482 4.365 15.194 366 HB3 PRO 452 1HB PRO 452 9.412 2.962 15.238 367 HG2 PRO 452 2HG PRO 452 11.134 3.501 17.231 368 HG3 PRO 452 1HG PRO 452 10.724 1.841 16.765 369 HD2 PRO 452 2HD PRO 452 13.170 3.443 16.130 370 HD3 PRO 452 1HD PRO 452 13.025 1.721 16.546 371 H LYS 453 H LYS 453 13.270 4.027 13.526 372 HA LYS 453 HA LYS 453 11.998 5.940 11.759 373 HB2 LYS 453 2HB LYS 453 13.625 6.732 13.397 374 HB3 LYS 453 1HB LYS 453 14.859 5.691 12.703 375 HG2 LYS 453 2HG LYS 453 13.850 7.277 10.601 376 HG3 LYS 453 1HG LYS 453 14.126 8.349 11.975 377 HD2 LYS 453 2HD LYS 453 16.137 6.431 10.796 378 HD3 LYS 453 1HD LYS 453 16.113 8.180 10.556 379 HE2 LYS 453 2HE LYS 453 17.586 8.122 12.276 380 HE3 LYS 453 1HE LYS 453 16.102 8.118 13.227 381 HZ1 LYS 453 3HZ LYS 453 17.057 5.508 12.398 382 HZ2 LYS 453 1HZ LYS 453 16.431 6.010 13.888 383 HZ3 LYS 453 2HZ LYS 453 18.048 6.319 13.502 384 H ALA 454 H ALA 454 13.894 3.056 11.492 385 HA ALA 454 HA ALA 454 14.699 3.610 8.759 386 HB1 ALA 454 1HB ALA 454 15.042 0.880 9.781 387 HB2 ALA 454 2HB ALA 454 15.841 2.133 10.729 388 HB3 ALA 454 3HB ALA 454 16.203 1.962 9.011 389 H VAL 455 H VAL 455 13.641 2.976 6.983 390 HA VAL 455 HA VAL 455 11.425 1.058 7.304 391 HB VAL 455 HB VAL 455 11.473 3.350 5.341 392 HG11 VAL 455 1HG1 VAL 455 9.120 2.835 5.041 393 HG12 VAL 455 2HG1 VAL 455 9.233 1.533 6.225 394 HG13 VAL 455 3HG1 VAL 455 10.106 1.415 4.696 395 HG21 VAL 455 3HG2 VAL 455 9.494 3.978 7.072 396 HG22 VAL 455 1HG2 VAL 455 11.134 4.617 7.174 397 HG23 VAL 455 2HG2 VAL 455 10.661 3.239 8.169 398 H VAL 456 H VAL 456 10.996 -0.344 5.581 399 HA VAL 456 HA VAL 456 13.228 -0.666 3.688 400 HB VAL 456 HB VAL 456 12.873 -3.007 3.663 401 HG11 VAL 456 1HG1 VAL 456 13.663 -1.721 5.911 402 HG12 VAL 456 2HG1 VAL 456 13.726 -3.470 5.688 403 HG13 VAL 456 3HG1 VAL 456 12.368 -2.737 6.543 404 HG21 VAL 456 3HG2 VAL 456 10.532 -3.238 3.538 405 HG22 VAL 456 1HG2 VAL 456 10.287 -2.420 5.079 406 HG23 VAL 456 2HG2 VAL 456 10.999 -4.032 5.041 407 H THR 457 H THR 457 12.791 -1.008 1.515 408 HA THR 457 HA THR 457 9.967 -0.747 0.716 409 HB THR 457 HB THR 457 11.989 0.404 -1.110 410 HG1 THR 457 1HG THR 457 11.349 1.516 1.425 411 HG21 THR 457 3HG2 THR 457 9.454 0.353 -1.398 412 HG22 THR 457 1HG2 THR 457 10.253 1.907 -1.643 413 HG23 THR 457 2HG2 THR 457 9.400 1.582 -0.134 414 H THR 458 H THR 458 9.291 -2.381 -0.464 415 HA THR 458 HA THR 458 11.226 -3.812 -2.169 416 HB THR 458 HB THR 458 8.768 -5.147 -1.083 417 HG1 THR 458 1HG THR 458 9.890 -5.745 0.741 418 HG21 THR 458 3HG2 THR 458 9.951 -7.156 -1.516 419 HG22 THR 458 1HG2 THR 458 11.477 -6.297 -1.719 420 HG23 THR 458 2HG2 THR 458 10.204 -6.126 -2.926 421 H TYR 459 H TYR 459 10.752 -3.837 -4.281 422 HA TYR 459 HA TYR 459 8.061 -2.976 -5.090 423 HB2 TYR 459 2HB TYR 459 10.678 -2.874 -6.600 424 HB3 TYR 459 1HB TYR 459 9.123 -2.362 -7.247 425 HD1 TYR 459 2HD TYR 459 7.920 -0.441 -6.115 426 HD2 TYR 459 1HD TYR 459 11.978 -1.417 -5.290 427 HE1 TYR 459 2HE TYR 459 8.263 1.805 -5.174 428 HE2 TYR 459 1HE TYR 459 12.332 0.825 -4.343 429 HH TYR 459 HH TYR 459 11.376 3.033 -4.430 430 H GLU 460 H GLU 460 6.750 -4.330 -6.097 431 HA GLU 460 HA GLU 460 7.871 -6.839 -7.159 432 HB2 GLU 460 2HB GLU 460 5.311 -6.223 -5.730 433 HB3 GLU 460 1HB GLU 460 5.371 -7.577 -6.849 434 HG2 GLU 460 2HG GLU 460 6.524 -8.850 -5.429 435 HG3 GLU 460 1HG GLU 460 7.593 -7.528 -4.961 436 H GLY 461 H GLY 461 8.128 -6.482 -9.292 437 HA2 GLY 461 2HA GLY 461 6.651 -6.778 -11.325 438 HA3 GLY 461 1HA GLY 461 5.845 -5.320 -10.765 439 H LYS 462 H LYS 462 6.332 -4.308 -12.768 440 HA LYS 462 HA LYS 462 8.873 -2.955 -12.741 441 HB2 LYS 462 2HB LYS 462 8.592 -5.283 -14.335 442 HB3 LYS 462 1HB LYS 462 8.580 -3.907 -15.430 443 HG2 LYS 462 2HG LYS 462 10.795 -3.970 -15.338 444 HG3 LYS 462 1HG LYS 462 10.655 -3.341 -13.696 445 HD2 LYS 462 2HD LYS 462 10.236 -5.985 -13.267 446 HD3 LYS 462 1HD LYS 462 11.348 -6.041 -14.637 447 HE2 LYS 462 2HE LYS 462 12.957 -5.860 -13.089 448 HE3 LYS 462 1HE LYS 462 12.513 -4.154 -13.049 449 HZ1 LYS 462 3HZ LYS 462 10.776 -5.018 -11.317 450 HZ2 LYS 462 1HZ LYS 462 12.369 -4.683 -10.851 451 HZ3 LYS 462 2HZ LYS 462 11.886 -6.280 -11.133 452 H HIS 463 H HIS 463 8.884 -1.064 -14.015 453 HA HIS 463 HA HIS 463 6.206 -0.177 -14.793 454 HB2 HIS 463 2HB HIS 463 8.729 1.469 -14.510 455 HB3 HIS 463 1HB HIS 463 7.089 2.081 -14.704 456 HD2 HIS 463 2HD HIS 463 9.358 0.516 -11.938 457 HE1 HIS 463 1HE HIS 463 5.798 1.937 -10.123 458 HE2 HIS 463 2HE HIS 463 8.124 1.054 -9.732 459 H ASN 464 H ASN 464 5.640 -0.268 -16.856 460 HA ASN 464 HA ASN 464 7.714 -0.461 -18.901 461 HB2 ASN 464 2HB ASN 464 5.917 -1.191 -20.392 462 HB3 ASN 464 1HB ASN 464 5.918 -2.142 -18.909 463 HD21 ASN 464 1HD2 ASN 464 3.697 -2.422 -20.085 464 HD22 ASN 464 2HD2 ASN 464 2.431 -1.423 -19.464 465 H HIS 465 H HIS 465 7.247 2.111 -17.642 466 HA HIS 465 HA HIS 465 6.683 3.635 -20.058 467 HB2 HIS 465 2HB HIS 465 5.228 5.211 -18.856 468 HB3 HIS 465 1HB HIS 465 4.539 3.592 -18.858 469 HD1 HIS 465 1HD HIS 465 6.247 6.051 -16.563 470 HD2 HIS 465 2HD HIS 465 4.133 2.484 -16.372 471 HE1 HIS 465 1HE HIS 465 5.792 5.669 -14.120 472 H ASP 466 H ASP 466 7.753 5.632 -20.130 473 HA ASP 466 HA ASP 466 10.175 5.801 -18.735 474 HB2 ASP 466 2HB ASP 466 9.807 6.870 -20.918 475 HB3 ASP 466 1HB ASP 466 8.684 8.004 -20.177 476 H LEU 467 H LEU 467 7.617 8.251 -18.560 477 HA LEU 467 HA LEU 467 7.603 8.186 -15.678 478 HB2 LEU 467 2HB LEU 467 9.443 9.858 -16.914 479 HB3 LEU 467 1HB LEU 467 8.102 10.921 -16.537 480 HG LEU 467 HG LEU 467 8.424 9.538 -14.183 481 HD11 LEU 467 1HD1 LEU 467 10.757 9.489 -13.651 482 HD12 LEU 467 2HD1 LEU 467 11.181 10.153 -15.229 483 HD13 LEU 467 3HD1 LEU 467 10.500 8.531 -15.108 484 HD21 LEU 467 3HD2 LEU 467 9.626 11.653 -13.453 485 HD22 LEU 467 1HD2 LEU 467 8.034 11.859 -14.185 486 HD23 LEU 467 2HD2 LEU 467 9.487 12.185 -15.129 487 HA PRO 468 HA PRO 468 3.387 9.316 -16.395 488 HB2 PRO 468 2HB PRO 468 3.569 10.796 -13.827 489 HB3 PRO 468 1HB PRO 468 2.457 9.513 -14.311 490 HG2 PRO 468 2HG PRO 468 4.441 9.023 -12.600 491 HG3 PRO 468 1HG PRO 468 3.977 7.829 -13.827 492 HD2 PRO 468 2HD PRO 468 6.306 9.709 -13.791 493 HD3 PRO 468 1HD PRO 468 6.225 8.020 -14.337 494 H ALA 469 H ALA 469 4.065 10.776 -18.138 495 HA ALA 469 HA ALA 469 4.046 13.612 -17.345 496 HB1 ALA 469 1HB ALA 469 4.968 12.487 -19.983 497 HB2 ALA 469 2HB ALA 469 6.038 12.764 -18.608 498 HB3 ALA 469 3HB ALA 469 5.205 14.122 -19.366 499 H5' DC 3 H5' DC 3 -3.817 16.123 -7.251 500 H5'' DC 3 H5" DC 3 -3.892 17.051 -5.742 501 H4' DC 3 H4' DC 3 -2.782 14.537 -5.112 502 H3' DC 3 H3' DC 3 -5.012 14.265 -7.089 503 H2' DC 3 H2' DC 3 -6.169 12.764 -5.684 504 H2'' DC 3 H2" DC 3 -4.694 12.200 -4.917 505 H1' DC 3 H1' DC 3 -4.990 13.661 -3.183 506 H41 DC 3 1H4 DC 3 -10.876 15.743 -2.125 507 H42 DC 3 2H4 DC 3 -11.277 15.629 -3.824 508 H5 DC 3 5H DC 3 -9.663 14.997 -5.518 509 H6 DC 3 6H DC 3 -7.347 14.337 -5.918 510 H5' DC 4 H5' DC 4 -1.814 11.125 -5.315 511 H5'' DC 4 H5" DC 4 -2.297 9.415 -5.361 512 H4' DC 4 H4' DC 4 -1.947 10.886 -3.108 513 H3' DC 4 H3' DC 4 -2.553 8.284 -3.533 514 H2' DC 4 H2' DC 4 -4.922 8.490 -3.772 515 H2'' DC 4 H2" DC 4 -4.810 8.250 -2.033 516 H1' DC 4 H1' DC 4 -4.958 10.588 -1.557 517 H41 DC 4 1H4 DC 4 -10.760 11.726 -3.798 518 H42 DC 4 2H4 DC 4 -10.254 11.448 -5.451 519 H5 DC 4 5H DC 4 -7.995 10.809 -6.044 520 H6 DC 4 6H DC 4 -5.769 10.316 -5.176 521 H5' DT 5 H5' DT 5 -3.749 10.063 0.364 522 H5'' DT 5 H5" DT 5 -2.396 9.558 1.395 523 H4' DT 5 H4' DT 5 -4.003 10.157 2.927 524 H3' DT 5 H3' DT 5 -3.321 7.573 3.066 525 H2' DT 5 H2' DT 5 -5.050 6.636 1.702 526 H2'' DT 5 H2" DT 5 -5.817 6.541 3.282 527 H1' DT 5 H1' DT 5 -7.118 8.498 2.930 528 H3 DT 5 3H DT 5 -10.213 7.803 -0.223 529 H71 DT 5 1H7 DT 5 -5.496 6.195 -2.233 530 H72 DT 5 2H7 DT 5 -7.055 5.617 -2.867 531 H73 DT 5 3H7 DT 5 -6.467 7.241 -3.296 532 H6 DT 5 6H DT 5 -5.478 7.262 -0.149 533 H5' DT 6 H5' DT 6 -6.166 8.377 6.556 534 H5'' DT 6 H5" DT 6 -5.527 7.893 8.141 535 H4' DT 6 H4' DT 6 -7.581 6.911 8.187 536 H3' DT 6 H3' DT 6 -5.504 4.999 7.536 537 H2' DT 6 H2' DT 6 -6.662 3.839 5.880 538 H2'' DT 6 H2" DT 6 -7.884 3.473 7.088 539 H1' DT 6 H1' DT 6 -9.276 5.249 6.487 540 H3 DT 6 3H DT 6 -10.942 4.872 2.361 541 H71 DT 6 1H7 DT 6 -5.577 4.398 1.986 542 H72 DT 6 2H7 DT 6 -6.573 3.216 1.106 543 H73 DT 6 3H7 DT 6 -6.557 4.921 0.596 544 H6 DT 6 6H DT 6 -6.504 4.700 4.101 545 H5' DT 7 H5' DT 7 -9.280 3.344 10.447 546 H5'' DT 7 H5" DT 7 -8.822 1.674 10.838 547 H4' DT 7 H4' DT 7 -11.167 2.304 9.792 548 H3' DT 7 H3' DT 7 -9.897 -0.105 10.161 549 H2' DT 7 H2' DT 7 -8.997 -0.355 7.966 550 H2'' DT 7 H2" DT 7 -10.593 -1.047 7.704 551 H1' DT 7 H1' DT 7 -11.495 1.022 6.862 552 H3 DT 7 3H DT 7 -9.977 1.069 2.676 553 H71 DT 7 1H7 DT 7 -5.709 1.632 5.936 554 H72 DT 7 2H7 DT 7 -5.786 2.653 4.481 555 H73 DT 7 3H7 DT 7 -5.537 0.898 4.325 556 H6 DT 7 6H DT 7 -7.804 1.398 6.905 557 H5' DG 8 H5' DG 8 -14.736 -0.865 9.155 558 H5'' DG 8 H5" DG 8 -15.057 -2.241 10.229 559 H4' DG 8 H4' DG 8 -16.111 -2.391 7.978 560 H3' DG 8 H3' DG 8 -15.208 -4.476 9.417 561 H2' DG 8 H2' DG 8 -12.990 -4.583 8.491 562 H2'' DG 8 H2" DG 8 -13.840 -5.728 7.464 563 H1' DG 8 H1' DG 8 -14.199 -4.094 5.726 564 H8 DG 8 8H DG 8 -11.254 -3.389 8.112 565 H1 DG 8 1H DG 8 -9.951 -2.940 1.848 566 H21 DG 8 1H2 DG 8 -11.773 -3.209 0.667 567 H22 DG 8 2H2 DG 8 -13.332 -3.498 1.407 568 H5' DA 9 H5' DA 9 -16.869 -5.180 4.961 569 H5'' DA 9 H5" DA 9 -18.152 -6.322 5.412 570 H4' DA 9 H4' DA 9 -17.719 -6.647 3.118 571 H3' DA 9 H3' DA 9 -17.663 -8.795 4.699 572 H2' DA 9 H2' DA 9 -15.316 -8.805 5.208 573 H2'' DA 9 H2" DA 9 -15.361 -9.899 3.835 574 H1' DA 9 H1' DA 9 -14.669 -8.212 2.289 575 H8 DA 9 8H DA 9 -13.885 -7.442 5.980 576 H61 DA 9 2H6 DA 9 -9.184 -6.330 5.422 577 H62 DA 9 1H6 DA 9 -8.140 -6.201 4.023 578 H2 DA 9 2H DA 9 -10.666 -7.129 0.436 579 H5' DC 10 H5' DC 10 -16.807 -9.296 -0.071 580 H5'' DC 10 H5" DC 10 -17.944 -10.634 -0.333 581 H4' DC 10 H4' DC 10 -16.281 -10.541 -2.088 582 H3' DC 10 H3' DC 10 -17.035 -12.861 -0.995 583 H2' DC 10 H2' DC 10 -15.358 -13.133 0.675 584 H2'' DC 10 H2" DC 10 -14.535 -13.902 -0.674 585 H1' DC 10 H1' DC 10 -13.161 -12.047 -1.103 586 H41 DC 10 1H4 DC 10 -10.424 -10.575 4.419 587 H42 DC 10 2H4 DC 10 -11.934 -10.752 5.279 588 H5 DC 10 5H DC 10 -14.019 -11.302 4.191 589 H6 DC 10 6H DC 10 -15.090 -11.772 2.050 590 H5' DC 11 H5' DC 11 -13.384 -13.331 -4.522 591 H5'' DC 11 H5" DC 11 -14.060 -14.803 -5.254 592 H4' DC 11 H4' DC 11 -11.626 -14.753 -5.368 593 H3' DC 11 H3' DC 11 -13.020 -16.980 -4.774 594 H2' DC 11 H2' DC 11 -12.891 -16.879 -2.387 595 H2'' DC 11 H2" DC 11 -11.450 -17.823 -2.735 596 H1' DC 11 H1' DC 11 -9.998 -15.934 -2.572 597 H41 DC 11 1H4 DC 11 -10.907 -13.964 3.383 598 H42 DC 11 2H4 DC 11 -12.641 -14.092 3.219 599 H5 DC 11 5H DC 11 -13.734 -14.760 1.171 600 H6 DC 11 6H DC 11 -13.389 -15.431 -1.146 601 H5' DA 12 H5' DA 12 -8.713 -17.138 -4.205 602 H5'' DA 12 H5" DA 12 -8.048 -17.867 -5.681 603 H4' DA 12 H4' DA 12 -6.289 -18.258 -4.344 604 H3' DA 12 H3' DA 12 -7.565 -20.581 -4.702 605 H2' DA 12 H2' DA 12 -8.981 -20.517 -2.769 606 H2'' DA 12 H2" DA 12 -7.612 -21.423 -2.142 607 H1' DA 12 H1' DA 12 -6.644 -19.499 -1.091 608 H8 DA 12 8H DA 12 -10.414 -19.282 -1.847 609 H61 DA 12 2H6 DA 12 -11.857 -17.768 2.543 610 H62 DA 12 1H6 DA 12 -10.995 -17.311 3.994 611 H2 DA 12 2H DA 12 -6.624 -17.740 3.098 612 H5' DT 21 H5' DT 21 -4.767 -17.852 11.764 613 H5'' DT 21 H5" DT 21 -4.536 -16.116 12.049 614 H4' DT 21 H4' DT 21 -3.187 -17.314 10.199 615 H3' DT 21 H3' DT 21 -3.634 -14.685 10.554 616 H2' DT 21 H2' DT 21 -5.674 -14.514 9.295 617 H2'' DT 21 H2" DT 21 -4.485 -14.111 8.066 618 H1' DT 21 H1' DT 21 -4.450 -16.352 7.181 619 H3 DT 21 3H DT 21 -8.189 -16.913 4.856 620 H71 DT 21 1H7 DT 21 -10.003 -14.665 9.068 621 H72 DT 21 2H7 DT 21 -9.889 -16.275 9.816 622 H73 DT 21 3H7 DT 21 -10.936 -16.025 8.398 623 H6 DT 21 6H DT 21 -7.357 -15.668 9.374 624 H5' DG 22 H5' DG 22 -1.224 -15.363 6.724 625 H5'' DG 22 H5" DG 22 0.247 -14.373 6.608 626 H4' DG 22 H4' DG 22 -0.583 -14.112 4.507 627 H3' DG 22 H3' DG 22 -1.624 -11.866 6.174 628 H2' DG 22 H2' DG 22 -3.198 -11.225 4.552 629 H2'' DG 22 H2" DG 22 -2.213 -11.826 3.225 630 H1' DG 22 H1' DG 22 -3.396 -13.774 3.181 631 H8 DG 22 8H DG 22 -4.372 -12.625 6.751 632 H1 DG 22 1H DG 22 -9.218 -14.063 2.806 633 H21 DG 22 1H2 DG 22 -8.472 -14.611 0.858 634 H22 DG 22 2H2 DG 22 -6.784 -14.660 0.437 635 H5' DG 23 H5' DG 23 -0.314 -11.802 1.578 636 H5'' DG 23 H5" DG 23 0.341 -10.171 1.328 637 H4' DG 23 H4' DG 23 -1.220 -11.112 -0.444 638 H3' DG 23 H3' DG 23 -0.762 -8.507 0.189 639 H2' DG 23 H2' DG 23 -2.642 -8.077 1.576 640 H2'' DG 23 H2" DG 23 -3.399 -7.791 0.014 641 H1' DG 23 H1' DG 23 -4.408 -9.920 -0.075 642 H8 DG 23 8H DG 23 -3.131 -9.284 3.528 643 H1 DG 23 1H DG 23 -9.387 -10.560 2.941 644 H21 DG 23 1H2 DG 23 -9.898 -10.930 0.883 645 H22 DG 23 2H2 DG 23 -8.762 -10.886 -0.433 646 H5' DT 24 H5' DT 24 -3.255 -8.390 -4.162 647 H5'' DT 24 H5" DT 24 -2.683 -6.850 -4.839 648 H4' DT 24 H4' DT 24 -5.115 -7.078 -4.958 649 H3' DT 24 H3' DT 24 -3.968 -4.839 -3.327 650 H2' DT 24 H2' DT 24 -6.135 -4.203 -2.607 651 H2'' DT 24 H2" DT 24 -6.916 -4.931 -4.004 652 H1' DT 24 H1' DT 24 -7.328 -6.819 -2.775 653 H3 DT 24 3H DT 24 -8.267 -6.402 1.555 654 H71 DT 24 1H7 DT 24 -3.563 -6.127 2.373 655 H72 DT 24 2H7 DT 24 -3.970 -4.407 2.168 656 H73 DT 24 3H7 DT 24 -3.027 -5.253 0.919 657 H6 DT 24 6H DT 24 -4.281 -5.728 -0.975 658 H5' DC 25 H5' DC 25 -7.602 -4.973 -6.348 659 H5'' DC 25 H5" DC 25 -7.526 -3.410 -7.190 660 H4' DC 25 H4' DC 25 -9.819 -4.283 -6.562 661 H3' DC 25 H3' DC 25 -9.072 -1.707 -6.881 662 H2' DC 25 H2' DC 25 -8.544 -1.201 -4.601 663 H2'' DC 25 H2" DC 25 -10.242 -0.750 -4.638 664 H1' DC 25 H1' DC 25 -10.959 -2.836 -3.697 665 H41 DC 25 1H4 DC 25 -8.151 -2.654 1.961 666 H42 DC 25 2H4 DC 25 -6.576 -2.375 1.252 667 H5 DC 25 5H DC 25 -6.220 -2.212 -1.133 668 H6 DC 25 6H DC 25 -7.287 -2.337 -3.322 669 H5' DA 26 H5' DA 26 -13.197 -2.217 -5.180 670 H5'' DA 26 H5" DA 26 -14.338 -1.788 -6.472 671 H4' DA 26 H4' DA 26 -15.539 -1.385 -4.542 672 H3' DA 26 H3' DA 26 -15.174 0.782 -6.074 673 H2' DA 26 H2' DA 26 -13.245 1.697 -4.988 674 H2'' DA 26 H2" DA 26 -14.523 2.525 -4.110 675 H1' DA 26 H1' DA 26 -14.421 1.027 -2.259 676 H8 DA 26 8H DA 26 -11.294 1.157 -4.497 677 H61 DA 26 2H6 DA 26 -7.986 1.534 -0.953 678 H62 DA 26 1H6 DA 26 -8.087 1.479 0.793 679 H2 DA 26 2H DA 26 -12.407 0.840 1.817 680 H5' DA 27 H5' DA 27 -18.278 1.493 -1.917 681 H5'' DA 27 H5" DA 27 -19.374 2.272 -3.078 682 H4' DA 27 H4' DA 27 -19.704 3.102 -0.808 683 H3' DA 27 H3' DA 27 -19.789 4.708 -2.921 684 H2' DA 27 H2' DA 27 -17.498 5.361 -3.070 685 H2'' DA 27 H2" DA 27 -18.096 6.638 -2.020 686 H1' DA 27 H1' DA 27 -17.203 5.668 -0.074 687 H8 DA 27 8H DA 27 -15.755 4.452 -3.393 688 H61 DA 27 2H6 DA 27 -11.099 4.161 -2.031 689 H62 DA 27 1H6 DA 27 -10.287 4.334 -0.492 690 H2 DA 27 2H DA 27 -13.462 5.213 2.553 691 H5' DA 28 H5' DA 28 -19.266 6.586 1.333 692 H5'' DA 28 H5" DA 28 -20.657 7.683 1.460 693 H4' DA 28 H4' DA 28 -19.045 8.544 2.917 694 H3' DA 28 H3' DA 28 -19.933 10.200 0.981 695 H2' DA 28 H2' DA 28 -18.141 9.913 -0.583 696 H2'' DA 28 H2" DA 28 -17.538 11.281 0.339 697 H1' DA 28 H1' DA 28 -16.153 9.912 1.733 698 H8 DA 28 8H DA 28 -17.130 8.390 -1.672 699 H61 DA 28 2H6 DA 28 -12.655 7.157 -3.118 700 H62 DA 28 1H6 DA 28 -11.087 7.222 -2.346 701 H2 DA 28 2H DA 28 -11.732 8.910 1.758 702 H5' DG 29 H5' DG 29 -17.892 12.831 4.828 703 H5'' DG 29 H5" DG 29 -17.424 14.463 4.305 704 H4' DG 29 H4' DG 29 -15.829 12.556 5.543 705 H3' DG 29 H3' DG 29 -15.585 15.226 5.121 706 H2' DG 29 H2' DG 29 -14.743 15.162 2.884 707 H2'' DG 29 H2" DG 29 -13.233 15.084 3.781 708 H1' DG 29 H1' DG 29 -13.093 12.696 3.606 709 H8 DG 29 8H DG 29 -15.839 13.448 0.990 710 H1 DG 29 1H DG 29 -10.109 11.771 -1.355 711 H21 DG 29 1H2 DG 29 -8.656 11.537 0.271 712 H22 DG 29 2H2 DG 29 -9.082 11.792 1.949 713 H5' DG 30 H5' DG 30 -11.344 13.664 7.501 714 H5'' DG 30 H5" DG 30 -11.544 14.881 8.778 715 H4' DG 30 H4' DG 30 -9.205 14.572 8.206 716 H3' DG 30 H3' DG 30 -10.251 16.997 8.636 717 H2' DG 30 H2' DG 30 -10.816 17.578 6.385 718 H2'' DG 30 H2" DG 30 -9.197 18.254 6.485 719 H1' DG 30 H1' DG 30 -8.195 16.403 5.372 720 H8 DG 30 8H DG 30 -11.964 16.891 4.821 721 H1 DG 30 1H DG 30 -8.584 15.367 -0.412 722 H21 DG 30 1H2 DG 30 -6.510 14.899 0.126 723 H22 DG 30 2H2 DG 30 -5.938 14.959 1.778 Start of MODEL 13 1 H LEU 407 H LEU 407 3.857 12.444 2.291 2 HA LEU 407 HA LEU 407 4.630 11.126 0.344 3 HB2 LEU 407 2HB LEU 407 3.220 10.382 2.299 4 HB3 LEU 407 1HB LEU 407 1.806 10.665 1.302 5 HG LEU 407 HG LEU 407 3.264 9.023 -0.315 6 HD11 LEU 407 2HD1 LEU 407 4.206 7.249 0.964 7 HD12 LEU 407 3HD1 LEU 407 3.660 7.970 2.478 8 HD13 LEU 407 1HD1 LEU 407 4.928 8.753 1.534 9 HD21 LEU 407 1HD2 LEU 407 1.668 7.334 0.233 10 HD22 LEU 407 2HD2 LEU 407 0.854 8.895 0.348 11 HD23 LEU 407 3HD2 LEU 407 1.362 8.055 1.814 12 H LEU 408 H LEU 408 4.115 13.286 -1.188 13 HA LEU 408 HA LEU 408 1.870 12.596 -2.928 14 HB2 LEU 408 2HB LEU 408 1.964 14.907 -2.288 15 HB3 LEU 408 1HB LEU 408 3.634 15.034 -2.803 16 HG LEU 408 HG LEU 408 2.595 14.350 -5.150 17 HD11 LEU 408 1HD1 LEU 408 0.318 15.901 -3.958 18 HD12 LEU 408 2HD1 LEU 408 0.314 14.140 -4.043 19 HD13 LEU 408 3HD1 LEU 408 0.402 15.094 -5.523 20 HD21 LEU 408 3HD2 LEU 408 2.611 17.072 -3.871 21 HD22 LEU 408 1HD2 LEU 408 2.288 16.816 -5.586 22 HD23 LEU 408 2HD2 LEU 408 3.843 16.343 -4.900 23 H ASP 409 H ASP 409 4.986 14.020 -3.826 24 HA ASP 409 HA ASP 409 5.415 11.751 -5.644 25 HB2 ASP 409 2HB ASP 409 4.764 14.411 -6.366 26 HB3 ASP 409 1HB ASP 409 6.434 14.139 -6.841 27 H ASP 410 H ASP 410 6.722 11.627 -3.353 28 HA ASP 410 HA ASP 410 9.124 12.995 -3.029 29 HB2 ASP 410 2HB ASP 410 9.895 11.037 -1.753 30 HB3 ASP 410 1HB ASP 410 8.232 11.445 -1.343 31 H GLY 411 H GLY 411 8.196 10.605 -5.314 32 HA2 GLY 411 2HA GLY 411 10.635 10.951 -6.824 33 HA3 GLY 411 1HA GLY 411 10.369 9.315 -6.223 34 H TYR 412 H TYR 412 7.776 8.925 -6.402 35 HA TYR 412 HA TYR 412 6.849 9.629 -9.081 36 HB2 TYR 412 2HB TYR 412 7.061 6.797 -8.026 37 HB3 TYR 412 1HB TYR 412 6.160 7.250 -9.465 38 HD1 TYR 412 1HD TYR 412 8.050 9.203 -10.681 39 HD2 TYR 412 2HD TYR 412 8.754 5.424 -8.860 40 HE1 TYR 412 1HE TYR 412 10.081 8.933 -12.041 41 HE2 TYR 412 2HE TYR 412 10.788 5.143 -10.213 42 HH TYR 412 HH TYR 412 12.142 7.711 -12.054 43 H ARG 413 H ARG 413 4.457 8.970 -9.286 44 HA ARG 413 HA ARG 413 3.138 9.819 -6.868 45 HB2 ARG 413 2HB ARG 413 2.435 9.554 -9.701 46 HB3 ARG 413 1HB ARG 413 1.120 9.130 -8.615 47 HG2 ARG 413 2HG ARG 413 0.934 11.257 -7.782 48 HG3 ARG 413 1HG ARG 413 2.615 11.660 -8.141 49 HD2 ARG 413 2HD ARG 413 0.917 12.802 -9.592 50 HD3 ARG 413 1HD ARG 413 2.151 11.893 -10.459 51 HE ARG 413 HE ARG 413 0.540 10.284 -11.035 52 HH11 ARG 413 1HH1 ARG 413 -0.842 12.878 -9.141 53 HH12 ARG 413 2HH1 ARG 413 -2.469 12.499 -9.591 54 HH21 ARG 413 1HH2 ARG 413 -1.600 9.790 -11.616 55 HH22 ARG 413 2HH2 ARG 413 -2.901 10.749 -10.990 56 H TRP 414 H TRP 414 2.497 8.520 -5.299 57 HA TRP 414 HA TRP 414 1.748 5.751 -5.980 58 HB2 TRP 414 2HB TRP 414 3.146 6.700 -3.473 59 HB3 TRP 414 1HB TRP 414 2.650 5.045 -3.810 60 HD1 TRP 414 HD TRP 414 5.207 7.677 -4.913 61 HE1 TRP 414 1HE TRP 414 7.159 6.469 -6.087 62 HE3 TRP 414 3HE TRP 414 3.268 2.956 -5.040 63 HZ2 TRP 414 2HZ TRP 414 7.779 3.857 -6.970 64 HZ3 TRP 414 3HZ TRP 414 4.597 1.156 -6.072 65 HH2 TRP 414 HH TRP 414 6.805 1.599 -7.018 66 H ARG 415 H ARG 415 -0.014 4.877 -4.995 67 HA ARG 415 HA ARG 415 -1.602 6.685 -3.295 68 HB2 ARG 415 2HB ARG 415 -2.739 6.419 -5.383 69 HB3 ARG 415 1HB ARG 415 -2.483 4.680 -5.374 70 HG2 ARG 415 2HG ARG 415 -3.903 5.397 -3.010 71 HG3 ARG 415 1HG ARG 415 -4.699 6.142 -4.396 72 HD2 ARG 415 2HD ARG 415 -5.408 4.170 -5.202 73 HD3 ARG 415 1HD ARG 415 -3.878 3.370 -4.848 74 HE ARG 415 HE ARG 415 -4.697 2.747 -2.769 75 HH11 ARG 415 1HH1 ARG 415 -7.001 4.778 -4.434 76 HH12 ARG 415 2HH1 ARG 415 -8.294 4.411 -3.343 77 HH21 ARG 415 1HH2 ARG 415 -6.398 2.267 -1.341 78 HH22 ARG 415 2HH2 ARG 415 -7.952 2.991 -1.589 79 H LYS 416 H LYS 416 -1.429 6.012 -1.257 80 HA LYS 416 HA LYS 416 -0.632 3.532 -0.340 81 HB2 LYS 416 2HB LYS 416 -0.701 5.494 1.092 82 HB3 LYS 416 1HB LYS 416 -2.454 5.550 0.984 83 HG2 LYS 416 2HG LYS 416 -2.567 3.379 2.143 84 HG3 LYS 416 1HG LYS 416 -0.809 3.402 2.305 85 HD2 LYS 416 2HD LYS 416 -0.918 4.746 4.081 86 HD3 LYS 416 1HD LYS 416 -1.979 5.875 3.239 87 HE2 LYS 416 2HE LYS 416 -3.917 4.627 3.855 88 HE3 LYS 416 1HE LYS 416 -2.935 3.303 4.475 89 HZ1 LYS 416 3HZ LYS 416 -3.966 5.235 5.999 90 HZ2 LYS 416 1HZ LYS 416 -2.436 5.887 5.688 91 HZ3 LYS 416 2HZ LYS 416 -2.575 4.362 6.406 92 H TYR 417 H TYR 417 -1.662 1.640 0.245 93 HA TYR 417 HA TYR 417 -4.534 1.469 0.149 94 HB2 TYR 417 2HB TYR 417 -4.875 0.306 -1.779 95 HB3 TYR 417 1HB TYR 417 -3.472 1.242 -2.270 96 HD1 TYR 417 1HD TYR 417 -4.374 -2.076 -0.798 97 HD2 TYR 417 2HD TYR 417 -1.652 0.143 -3.201 98 HE1 TYR 417 1HE TYR 417 -3.207 -4.157 -1.390 99 HE2 TYR 417 2HE TYR 417 -0.477 -1.932 -3.796 100 HH TYR 417 HH TYR 417 -0.546 -4.599 -2.234 101 H GLY 418 H GLY 418 -5.265 0.088 1.524 102 HA2 GLY 418 2HA GLY 418 -5.470 -1.761 2.876 103 HA3 GLY 418 1HA GLY 418 -4.109 -2.474 2.027 104 H GLN 419 H GLN 419 -4.207 -3.056 4.553 105 HA GLN 419 HA GLN 419 -1.801 -2.042 5.636 106 HB2 GLN 419 2HB GLN 419 -3.933 -0.378 6.168 107 HB3 GLN 419 1HB GLN 419 -3.881 -1.397 7.599 108 HG2 GLN 419 2HG GLN 419 -1.833 -0.615 8.255 109 HG3 GLN 419 1HG GLN 419 -1.352 -0.179 6.615 110 HE21 GLN 419 1HE2 GLN 419 -2.797 0.865 9.525 111 HE22 GLN 419 2HE2 GLN 419 -3.133 2.492 9.047 112 H LYS 420 H LYS 420 -1.112 -4.036 6.125 113 HA LYS 420 HA LYS 420 -2.792 -5.657 7.926 114 HB2 LYS 420 2HB LYS 420 -2.160 -6.370 5.386 115 HB3 LYS 420 1HB LYS 420 -0.815 -7.086 6.264 116 HG2 LYS 420 2HG LYS 420 -3.687 -7.547 7.015 117 HG3 LYS 420 1HG LYS 420 -2.806 -8.572 5.882 118 HD2 LYS 420 2HD LYS 420 -1.114 -8.348 8.078 119 HD3 LYS 420 1HD LYS 420 -2.725 -8.514 8.779 120 HE2 LYS 420 2HE LYS 420 -2.801 -10.677 8.266 121 HE3 LYS 420 1HE LYS 420 -2.367 -10.354 6.587 122 HZ1 LYS 420 3HZ LYS 420 -0.798 -11.803 7.906 123 HZ2 LYS 420 1HZ LYS 420 -0.350 -10.408 8.754 124 HZ3 LYS 420 2HZ LYS 420 -0.096 -10.502 7.083 125 H VAL 421 H VAL 421 -1.753 -6.839 9.550 126 HA VAL 421 HA VAL 421 0.918 -5.831 10.226 127 HB VAL 421 HB VAL 421 -0.827 -5.432 11.905 128 HG11 VAL 421 1HG1 VAL 421 -2.272 -7.319 11.441 129 HG12 VAL 421 2HG1 VAL 421 -1.801 -7.321 13.140 130 HG13 VAL 421 3HG1 VAL 421 -1.035 -8.439 12.012 131 HG21 VAL 421 3HG2 VAL 421 1.344 -7.376 12.657 132 HG22 VAL 421 1HG2 VAL 421 0.339 -6.542 13.843 133 HG23 VAL 421 2HG2 VAL 421 1.379 -5.616 12.760 134 H VAL 422 H VAL 422 2.602 -7.207 10.721 135 HA VAL 422 HA VAL 422 2.122 -10.068 10.207 136 HB VAL 422 HB VAL 422 4.457 -10.121 9.249 137 HG11 VAL 422 1HG1 VAL 422 2.182 -8.689 7.923 138 HG12 VAL 422 2HG1 VAL 422 2.735 -10.348 7.693 139 HG13 VAL 422 3HG1 VAL 422 3.689 -9.006 7.064 140 HG21 VAL 422 3HG2 VAL 422 5.033 -7.852 10.241 141 HG22 VAL 422 1HG2 VAL 422 4.106 -7.154 8.913 142 HG23 VAL 422 2HG2 VAL 422 5.532 -8.137 8.574 143 H LYS 423 H LYS 423 3.117 -11.532 11.490 144 HA LYS 423 HA LYS 423 4.198 -10.607 13.987 145 HB2 LYS 423 2HB LYS 423 4.399 -13.100 14.436 146 HB3 LYS 423 1HB LYS 423 2.775 -12.490 14.150 147 HG2 LYS 423 2HG LYS 423 4.203 -13.458 11.767 148 HG3 LYS 423 1HG LYS 423 3.795 -14.682 12.969 149 HD2 LYS 423 2HD LYS 423 1.581 -12.875 12.496 150 HD3 LYS 423 1HD LYS 423 2.120 -13.644 11.003 151 HE2 LYS 423 2HE LYS 423 1.990 -15.842 12.177 152 HE3 LYS 423 1HE LYS 423 1.271 -15.007 13.553 153 HZ1 LYS 423 3HZ LYS 423 0.112 -15.680 10.976 154 HZ2 LYS 423 1HZ LYS 423 -0.298 -14.155 11.587 155 HZ3 LYS 423 2HZ LYS 423 -0.625 -15.546 12.494 156 H GLY 424 H GLY 424 6.170 -12.186 14.766 157 HA2 GLY 424 2HA GLY 424 8.426 -12.637 14.556 158 HA3 GLY 424 1HA GLY 424 8.185 -12.698 12.813 159 H ASN 425 H ASN 425 6.940 -9.907 13.214 160 HA ASN 425 HA ASN 425 9.159 -8.206 13.838 161 HB2 ASN 425 2HB ASN 425 9.779 -8.758 11.564 162 HB3 ASN 425 1HB ASN 425 8.130 -8.511 11.003 163 HD21 ASN 425 1HD2 ASN 425 8.394 -6.898 9.592 164 HD22 ASN 425 2HD2 ASN 425 9.036 -5.342 9.981 165 HA PRO 426 HA PRO 426 4.577 -7.285 15.020 166 HB2 PRO 426 2HB PRO 426 6.526 -5.785 16.744 167 HB3 PRO 426 1HB PRO 426 4.937 -6.423 17.161 168 HG2 PRO 426 2HG PRO 426 7.212 -7.760 17.732 169 HG3 PRO 426 1HG PRO 426 5.698 -8.591 17.335 170 HD2 PRO 426 2HD PRO 426 8.170 -8.460 15.802 171 HD3 PRO 426 1HD PRO 426 6.737 -9.471 15.525 172 H TYR 427 H TYR 427 4.823 -6.223 12.753 173 HA TYR 427 HA TYR 427 4.522 -3.367 13.206 174 HB2 TYR 427 2HB TYR 427 6.702 -4.483 11.455 175 HB3 TYR 427 1HB TYR 427 6.065 -2.859 11.227 176 HD1 TYR 427 1HD TYR 427 7.722 -5.061 13.735 177 HD2 TYR 427 2HD TYR 427 6.843 -1.074 12.534 178 HE1 TYR 427 1HE TYR 427 9.275 -4.213 15.437 179 HE2 TYR 427 2HE TYR 427 8.389 -0.215 14.241 180 HH TYR 427 HH TYR 427 10.567 -2.249 15.939 181 HA PRO 428 HA PRO 428 1.498 -4.017 10.027 182 HB2 PRO 428 2HB PRO 428 0.608 -1.506 9.780 183 HB3 PRO 428 1HB PRO 428 0.310 -2.443 11.251 184 HG2 PRO 428 2HG PRO 428 2.351 -0.317 10.739 185 HG3 PRO 428 1HG PRO 428 1.356 -0.593 12.181 186 HD2 PRO 428 2HD PRO 428 3.984 -1.389 11.918 187 HD3 PRO 428 1HD PRO 428 2.817 -2.126 13.034 188 H ARG 429 H ARG 429 1.687 -4.191 7.876 189 HA ARG 429 HA ARG 429 3.746 -2.628 6.526 190 HB2 ARG 429 2HB ARG 429 3.322 -5.234 6.393 191 HB3 ARG 429 1HB ARG 429 2.184 -4.756 5.142 192 HG2 ARG 429 2HG ARG 429 3.857 -3.904 3.770 193 HG3 ARG 429 1HG ARG 429 5.013 -3.787 5.097 194 HD2 ARG 429 2HD ARG 429 5.376 -5.668 3.435 195 HD3 ARG 429 1HD ARG 429 5.361 -6.108 5.142 196 HE ARG 429 HE ARG 429 2.808 -6.356 3.837 197 HH11 ARG 429 1HH1 ARG 429 5.815 -7.954 4.598 198 HH12 ARG 429 2HH1 ARG 429 5.148 -9.546 4.463 199 HH21 ARG 429 1HH2 ARG 429 1.928 -8.453 3.657 200 HH22 ARG 429 2HH2 ARG 429 2.945 -9.830 3.929 201 H SER 430 H SER 430 3.349 -1.736 4.407 202 HA SER 430 HA SER 430 0.554 -0.952 3.930 203 HB2 SER 430 2HB SER 430 2.806 0.980 3.452 204 HB3 SER 430 1HB SER 430 1.091 1.315 3.683 205 HG SER 430 HG SER 430 1.472 0.467 5.893 206 H TYR 431 H TYR 431 -0.019 -0.692 1.734 207 HA TYR 431 HA TYR 431 2.060 -1.596 -0.148 208 HB2 TYR 431 2HB TYR 431 -0.911 -2.099 -0.360 209 HB3 TYR 431 1HB TYR 431 0.338 -2.709 -1.440 210 HD1 TYR 431 1HD TYR 431 1.949 -4.418 -0.616 211 HD2 TYR 431 2HD TYR 431 -1.404 -3.196 1.699 212 HE1 TYR 431 1HE TYR 431 2.196 -6.422 0.786 213 HE2 TYR 431 2HE TYR 431 -1.167 -5.198 3.109 214 HH TYR 431 HH TYR 431 -0.047 -7.667 2.631 215 H TYR 432 H TYR 432 2.737 0.139 -1.215 216 HA TYR 432 HA TYR 432 0.781 2.137 -2.110 217 HB2 TYR 432 2HB TYR 432 3.807 2.261 -2.049 218 HB3 TYR 432 1HB TYR 432 2.745 3.562 -2.565 219 HD1 TYR 432 1HD TYR 432 3.985 1.657 0.324 220 HD2 TYR 432 2HD TYR 432 1.525 4.877 -0.973 221 HE1 TYR 432 1HE TYR 432 3.852 2.478 2.637 222 HE2 TYR 432 2HE TYR 432 1.386 5.709 1.339 223 HH TYR 432 HH TYR 432 2.490 3.860 4.027 224 H LYS 433 H LYS 433 0.227 2.290 -4.218 225 HA LYS 433 HA LYS 433 1.831 0.723 -6.133 226 HB2 LYS 433 2HB LYS 433 -0.256 0.420 -7.432 227 HB3 LYS 433 1HB LYS 433 -0.330 -0.306 -5.833 228 HG2 LYS 433 2HG LYS 433 -1.427 1.990 -5.188 229 HG3 LYS 433 1HG LYS 433 -1.779 2.055 -6.914 230 HD2 LYS 433 2HD LYS 433 -2.422 -0.554 -6.017 231 HD3 LYS 433 1HD LYS 433 -3.118 0.586 -4.864 232 HE2 LYS 433 2HE LYS 433 -4.274 1.741 -6.632 233 HE3 LYS 433 1HE LYS 433 -3.477 0.752 -7.853 234 HZ1 LYS 433 3HZ LYS 433 -4.890 -0.938 -7.520 235 HZ2 LYS 433 1HZ LYS 433 -5.898 0.234 -6.829 236 HZ3 LYS 433 2HZ LYS 433 -4.927 -0.736 -5.841 237 H CYS 434 H CYS 434 2.927 1.939 -7.502 238 HA CYS 434 HA CYS 434 2.407 4.699 -7.883 239 HB2 CYS 434 2HB CYS 434 4.667 4.008 -8.067 240 HB3 CYS 434 1HB CYS 434 4.264 2.725 -9.200 241 H THR 435 H THR 435 1.411 5.762 -9.506 242 HA THR 435 HA THR 435 0.070 4.122 -11.554 243 HB THR 435 HB THR 435 -1.776 5.637 -11.564 244 HG1 THR 435 1HG THR 435 -0.372 7.227 -9.658 245 HG21 THR 435 3HG2 THR 435 -2.688 5.352 -9.386 246 HG22 THR 435 1HG2 THR 435 -1.086 5.308 -8.647 247 HG23 THR 435 2HG2 THR 435 -1.625 3.972 -9.665 248 H THR 436 H THR 436 -0.206 5.088 -13.653 249 HA THR 436 HA THR 436 0.872 7.573 -14.390 250 HB THR 436 HB THR 436 2.612 5.904 -15.878 251 HG1 THR 436 1HG THR 436 3.202 5.602 -13.125 252 HG21 THR 436 3HG2 THR 436 2.737 8.244 -14.148 253 HG22 THR 436 1HG2 THR 436 3.636 7.881 -15.621 254 HG23 THR 436 2HG2 THR 436 4.201 7.263 -14.069 255 HA PRO 437 HA PRO 437 -1.592 6.963 -17.985 256 HB2 PRO 437 2HB PRO 437 0.359 7.202 -20.029 257 HB3 PRO 437 1HB PRO 437 -0.696 8.470 -19.408 258 HG2 PRO 437 2HG PRO 437 2.126 7.853 -18.708 259 HG3 PRO 437 1HG PRO 437 1.289 9.415 -18.745 260 HD2 PRO 437 2HD PRO 437 1.872 8.214 -16.430 261 HD3 PRO 437 1HD PRO 437 0.346 9.097 -16.641 262 H GLY 438 H GLY 438 1.583 5.514 -18.684 263 HA2 GLY 438 2HA GLY 438 0.156 3.007 -19.333 264 HA3 GLY 438 1HA GLY 438 1.571 3.558 -20.218 265 H CYS 439 H CYS 439 1.221 3.740 -16.715 266 HA CYS 439 HA CYS 439 2.984 1.438 -16.404 267 HB2 CYS 439 2HB CYS 439 4.674 3.007 -16.496 268 HB3 CYS 439 1HB CYS 439 3.708 4.257 -15.739 269 H GLY 440 H GLY 440 2.778 0.342 -14.609 270 HA2 GLY 440 2HA GLY 440 1.314 1.412 -12.311 271 HA3 GLY 440 1HA GLY 440 0.611 0.022 -13.128 272 H VAL 441 H VAL 441 2.868 1.076 -10.809 273 HA VAL 441 HA VAL 441 3.883 -1.677 -10.518 274 HB VAL 441 HB VAL 441 5.372 0.925 -10.190 275 HG11 VAL 441 1HG1 VAL 441 5.905 -0.364 -8.224 276 HG12 VAL 441 2HG1 VAL 441 7.273 -0.420 -9.336 277 HG13 VAL 441 3HG1 VAL 441 6.192 -1.805 -9.201 278 HG21 VAL 441 3HG2 VAL 441 6.105 -1.563 -11.707 279 HG22 VAL 441 1HG2 VAL 441 6.893 0.013 -11.777 280 HG23 VAL 441 2HG2 VAL 441 5.262 -0.187 -12.420 281 H ARG 442 H ARG 442 4.482 -2.275 -8.311 282 HA ARG 442 HA ARG 442 3.089 -0.696 -6.258 283 HB2 ARG 442 2HB ARG 442 3.138 -3.713 -6.357 284 HB3 ARG 442 1HB ARG 442 2.243 -2.700 -5.233 285 HG2 ARG 442 2HG ARG 442 0.499 -2.703 -6.591 286 HG3 ARG 442 1HG ARG 442 1.476 -1.984 -7.872 287 HD2 ARG 442 2HD ARG 442 0.313 -4.231 -8.336 288 HD3 ARG 442 1HD ARG 442 2.004 -4.052 -8.801 289 HE ARG 442 HE ARG 442 2.523 -5.715 -7.332 290 HH11 ARG 442 1HH1 ARG 442 -0.576 -4.389 -6.428 291 HH12 ARG 442 2HH1 ARG 442 -0.852 -5.555 -5.178 292 HH21 ARG 442 1HH2 ARG 442 2.164 -7.249 -5.687 293 HH22 ARG 442 2HH2 ARG 442 0.705 -7.179 -4.758 294 H LYS 443 H LYS 443 3.888 -1.068 -4.067 295 HA LYS 443 HA LYS 443 6.463 -2.381 -3.837 296 HB2 LYS 443 2HB LYS 443 7.774 -0.566 -3.522 297 HB3 LYS 443 1HB LYS 443 6.540 0.237 -4.479 298 HG2 LYS 443 2HG LYS 443 5.550 0.484 -1.941 299 HG3 LYS 443 1HG LYS 443 7.290 0.602 -1.681 300 HD2 LYS 443 2HD LYS 443 7.216 2.261 -3.675 301 HD3 LYS 443 1HD LYS 443 5.494 2.358 -3.308 302 HE2 LYS 443 2HE LYS 443 5.837 3.550 -1.434 303 HE3 LYS 443 1HE LYS 443 7.245 2.597 -0.970 304 HZ1 LYS 443 3HZ LYS 443 7.199 4.782 -2.982 305 HZ2 LYS 443 1HZ LYS 443 8.553 3.840 -2.600 306 HZ3 LYS 443 2HZ LYS 443 7.878 4.863 -1.434 307 H HIS 444 H HIS 444 7.068 -2.869 -1.689 308 HA HIS 444 HA HIS 444 4.867 -2.555 0.248 309 HB2 HIS 444 2HB HIS 444 6.877 -4.700 0.664 310 HB3 HIS 444 1HB HIS 444 5.144 -4.707 0.968 311 HD1 HIS 444 1HD HIS 444 7.446 -6.392 -1.024 312 HD2 HIS 444 2HD HIS 444 3.793 -4.589 -1.839 313 HE1 HIS 444 1HE HIS 444 6.639 -7.447 -3.158 314 HE2 HIS 444 2HE HIS 444 4.397 -6.384 -3.601 315 H VAL 445 H VAL 445 5.279 -1.562 2.130 316 HA VAL 445 HA VAL 445 8.093 -0.950 2.762 317 HB VAL 445 HB VAL 445 5.582 0.640 3.325 318 HG11 VAL 445 1HG1 VAL 445 8.406 1.194 4.241 319 HG12 VAL 445 2HG1 VAL 445 7.049 0.746 5.275 320 HG13 VAL 445 3HG1 VAL 445 7.034 2.287 4.419 321 HG21 VAL 445 3HG2 VAL 445 6.980 0.623 1.064 322 HG22 VAL 445 1HG2 VAL 445 7.968 1.768 1.974 323 HG23 VAL 445 2HG2 VAL 445 6.254 2.095 1.714 324 H GLU 446 H GLU 446 8.874 -1.923 4.503 325 HA GLU 446 HA GLU 446 7.082 -2.537 6.752 326 HB2 GLU 446 2HB GLU 446 7.966 -4.454 4.996 327 HB3 GLU 446 1HB GLU 446 9.188 -4.531 6.256 328 HG2 GLU 446 2HG GLU 446 7.497 -4.959 7.922 329 HG3 GLU 446 1HG GLU 446 6.223 -4.767 6.718 330 H ARG 447 H ARG 447 8.139 -2.702 8.810 331 HA ARG 447 HA ARG 447 10.675 -1.235 8.894 332 HB2 ARG 447 2HB ARG 447 8.401 -1.582 10.799 333 HB3 ARG 447 1HB ARG 447 9.998 -1.244 11.452 334 HG2 ARG 447 2HG ARG 447 9.264 0.882 11.238 335 HG3 ARG 447 1HG ARG 447 9.911 0.672 9.611 336 HD2 ARG 447 2HD ARG 447 7.659 0.016 8.837 337 HD3 ARG 447 1HD ARG 447 7.037 0.329 10.457 338 HE ARG 447 HE ARG 447 7.577 2.256 8.438 339 HH11 ARG 447 1HH1 ARG 447 7.623 1.767 11.894 340 HH12 ARG 447 2HH1 ARG 447 7.437 3.448 12.260 341 HH21 ARG 447 1HH2 ARG 447 7.331 4.468 8.918 342 HH22 ARG 447 2HH2 ARG 447 7.268 4.982 10.570 343 H ALA 448 H ALA 448 12.297 -1.912 10.495 344 HA ALA 448 HA ALA 448 12.795 -4.727 10.294 345 HB1 ALA 448 1HB ALA 448 14.279 -2.386 11.385 346 HB2 ALA 448 2HB ALA 448 14.759 -3.554 10.153 347 HB3 ALA 448 3HB ALA 448 14.776 -4.010 11.857 348 H ALA 449 H ALA 449 12.814 -6.270 11.894 349 HA ALA 449 HA ALA 449 10.978 -5.917 14.043 350 HB1 ALA 449 1HB ALA 449 12.893 -8.213 13.718 351 HB2 ALA 449 2HB ALA 449 11.417 -8.053 12.769 352 HB3 ALA 449 3HB ALA 449 11.325 -8.205 14.522 353 H THR 450 H THR 450 14.353 -5.393 13.727 354 HA THR 450 HA THR 450 14.592 -5.171 16.657 355 HB THR 450 HB THR 450 16.028 -6.963 15.904 356 HG1 THR 450 1HG THR 450 17.632 -4.647 16.337 357 HG21 THR 450 3HG2 THR 450 17.092 -4.934 13.941 358 HG22 THR 450 1HG2 THR 450 16.293 -6.463 13.580 359 HG23 THR 450 2HG2 THR 450 17.899 -6.459 14.308 360 H ASP 451 H ASP 451 13.751 -3.178 14.610 361 HA ASP 451 HA ASP 451 15.055 -0.927 15.632 362 HB2 ASP 451 2HB ASP 451 16.964 -1.760 14.285 363 HB3 ASP 451 1HB ASP 451 15.965 -1.659 12.839 364 HA PRO 452 HA PRO 452 11.027 -0.018 13.665 365 HB2 PRO 452 2HB PRO 452 10.533 2.166 15.239 366 HB3 PRO 452 1HB PRO 452 10.141 0.509 15.710 367 HG2 PRO 452 2HG PRO 452 12.499 2.187 16.467 368 HG3 PRO 452 1HG PRO 452 11.521 1.109 17.479 369 HD2 PRO 452 2HD PRO 452 13.928 0.373 16.527 370 HD3 PRO 452 1HD PRO 452 12.600 -0.790 16.719 371 H LYS 453 H LYS 453 13.871 1.918 14.139 372 HA LYS 453 HA LYS 453 12.985 4.147 12.572 373 HB2 LYS 453 2HB LYS 453 15.279 3.470 14.173 374 HB3 LYS 453 1HB LYS 453 15.804 4.110 12.621 375 HG2 LYS 453 2HG LYS 453 13.675 5.564 14.097 376 HG3 LYS 453 1HG LYS 453 15.340 5.683 14.674 377 HD2 LYS 453 2HD LYS 453 16.076 6.515 12.538 378 HD3 LYS 453 1HD LYS 453 14.479 6.244 11.838 379 HE2 LYS 453 2HE LYS 453 13.689 8.177 12.637 380 HE3 LYS 453 1HE LYS 453 14.399 7.905 14.228 381 HZ1 LYS 453 3HZ LYS 453 15.443 9.388 11.958 382 HZ2 LYS 453 1HZ LYS 453 16.574 8.465 12.814 383 HZ3 LYS 453 2HZ LYS 453 15.665 9.644 13.616 384 H ALA 454 H ALA 454 14.578 1.118 11.928 385 HA ALA 454 HA ALA 454 15.452 1.886 9.287 386 HB1 ALA 454 1HB ALA 454 16.095 -0.164 11.096 387 HB2 ALA 454 2HB ALA 454 16.798 0.132 9.506 388 HB3 ALA 454 3HB ALA 454 15.421 -0.956 9.673 389 H VAL 455 H VAL 455 14.244 1.852 7.514 390 HA VAL 455 HA VAL 455 11.773 0.248 7.537 391 HB VAL 455 HB VAL 455 12.343 2.774 5.976 392 HG11 VAL 455 1HG1 VAL 455 9.794 1.174 6.186 393 HG12 VAL 455 2HG1 VAL 455 10.867 1.207 4.786 394 HG13 VAL 455 3HG1 VAL 455 10.022 2.672 5.283 395 HG21 VAL 455 3HG2 VAL 455 11.856 3.744 7.939 396 HG22 VAL 455 1HG2 VAL 455 11.172 2.265 8.612 397 HG23 VAL 455 2HG2 VAL 455 10.192 3.291 7.565 398 H VAL 456 H VAL 456 11.317 -1.078 5.859 399 HA VAL 456 HA VAL 456 13.425 -1.422 3.836 400 HB VAL 456 HB VAL 456 13.063 -3.708 3.796 401 HG11 VAL 456 1HG1 VAL 456 13.650 -4.303 5.874 402 HG12 VAL 456 2HG1 VAL 456 12.172 -3.654 6.586 403 HG13 VAL 456 3HG1 VAL 456 13.527 -2.580 6.233 404 HG21 VAL 456 3HG2 VAL 456 10.718 -3.784 3.350 405 HG22 VAL 456 1HG2 VAL 456 10.333 -3.196 4.966 406 HG23 VAL 456 2HG2 VAL 456 11.022 -4.804 4.757 407 H THR 457 H THR 457 12.878 -1.528 1.675 408 HA THR 457 HA THR 457 10.032 -1.206 1.011 409 HB THR 457 HB THR 457 11.964 0.277 -0.683 410 HG1 THR 457 1HG THR 457 11.210 1.091 1.941 411 HG21 THR 457 3HG2 THR 457 9.285 1.104 0.426 412 HG22 THR 457 1HG2 THR 457 9.464 0.132 -1.035 413 HG23 THR 457 2HG2 THR 457 10.130 1.765 -0.975 414 H THR 458 H THR 458 9.347 -2.520 -0.525 415 HA THR 458 HA THR 458 11.336 -3.776 -2.301 416 HB THR 458 HB THR 458 8.865 -5.301 -1.928 417 HG1 THR 458 1HG THR 458 10.538 -4.714 0.290 418 HG21 THR 458 3HG2 THR 458 10.942 -6.086 -3.065 419 HG22 THR 458 1HG2 THR 458 10.387 -7.154 -1.777 420 HG23 THR 458 2HG2 THR 458 11.751 -6.070 -1.497 421 H TYR 459 H TYR 459 10.995 -3.467 -4.420 422 HA TYR 459 HA TYR 459 8.424 -2.311 -5.235 423 HB2 TYR 459 2HB TYR 459 11.164 -2.240 -6.500 424 HB3 TYR 459 1HB TYR 459 9.715 -1.675 -7.327 425 HD1 TYR 459 2HD TYR 459 11.910 -1.089 -4.410 426 HD2 TYR 459 1HD TYR 459 8.780 0.455 -6.843 427 HE1 TYR 459 2HE TYR 459 12.161 1.107 -3.331 428 HE2 TYR 459 1HE TYR 459 9.022 2.654 -5.771 429 HH TYR 459 HH TYR 459 11.675 3.423 -3.730 430 H GLU 460 H GLU 460 7.040 -3.426 -6.427 431 HA GLU 460 HA GLU 460 7.943 -5.956 -7.621 432 HB2 GLU 460 2HB GLU 460 5.441 -5.075 -6.313 433 HB3 GLU 460 1HB GLU 460 5.241 -6.121 -7.712 434 HG2 GLU 460 2HG GLU 460 6.854 -7.709 -6.615 435 HG3 GLU 460 1HG GLU 460 6.724 -6.709 -5.168 436 H GLY 461 H GLY 461 8.651 -5.303 -9.623 437 HA2 GLY 461 2HA GLY 461 7.558 -5.336 -11.891 438 HA3 GLY 461 1HA GLY 461 6.660 -3.936 -11.325 439 H LYS 462 H LYS 462 7.428 -2.596 -12.960 440 HA LYS 462 HA LYS 462 9.991 -1.402 -12.415 441 HB2 LYS 462 2HB LYS 462 9.860 -3.416 -14.380 442 HB3 LYS 462 1HB LYS 462 9.952 -1.894 -15.253 443 HG2 LYS 462 2HG LYS 462 12.069 -1.484 -14.593 444 HG3 LYS 462 1HG LYS 462 11.829 -2.211 -13.002 445 HD2 LYS 462 2HD LYS 462 11.913 -3.891 -15.487 446 HD3 LYS 462 1HD LYS 462 13.395 -3.399 -14.663 447 HE2 LYS 462 2HE LYS 462 11.121 -5.021 -13.528 448 HE3 LYS 462 1HE LYS 462 12.759 -5.574 -13.869 449 HZ1 LYS 462 3HZ LYS 462 12.896 -5.180 -11.642 450 HZ2 LYS 462 1HZ LYS 462 11.781 -3.907 -11.665 451 HZ3 LYS 462 2HZ LYS 462 13.361 -3.659 -12.215 452 H HIS 463 H HIS 463 10.221 0.670 -13.332 453 HA HIS 463 HA HIS 463 7.693 1.811 -14.276 454 HB2 HIS 463 2HB HIS 463 10.162 3.197 -13.219 455 HB3 HIS 463 1HB HIS 463 8.645 3.982 -13.645 456 HD2 HIS 463 2HD HIS 463 10.246 2.048 -10.714 457 HE1 HIS 463 1HE HIS 463 6.247 2.956 -9.630 458 HE2 HIS 463 2HE HIS 463 8.446 1.999 -8.860 459 H ASN 464 H ASN 464 7.449 2.175 -16.362 460 HA ASN 464 HA ASN 464 9.843 2.483 -18.039 461 HB2 ASN 464 2HB ASN 464 8.221 1.977 -19.926 462 HB3 ASN 464 1HB ASN 464 8.527 0.657 -18.800 463 HD21 ASN 464 1HD2 ASN 464 6.206 1.724 -20.584 464 HD22 ASN 464 2HD2 ASN 464 4.829 1.524 -19.561 465 H HIS 465 H HIS 465 9.335 4.732 -16.679 466 HA HIS 465 HA HIS 465 8.601 6.577 -18.783 467 HB2 HIS 465 2HB HIS 465 6.996 7.822 -17.390 468 HB3 HIS 465 1HB HIS 465 6.437 6.182 -17.706 469 HD1 HIS 465 1HD HIS 465 8.386 7.955 -14.946 470 HD2 HIS 465 2HD HIS 465 5.537 4.983 -15.473 471 HE1 HIS 465 1HE HIS 465 7.766 7.199 -12.628 472 H ASP 466 H ASP 466 9.425 8.671 -18.454 473 HA ASP 466 HA ASP 466 11.760 8.778 -16.817 474 HB2 ASP 466 2HB ASP 466 11.063 10.018 -19.105 475 HB3 ASP 466 1HB ASP 466 10.669 11.293 -17.954 476 H LEU 467 H LEU 467 12.100 10.932 -15.517 477 HA LEU 467 HA LEU 467 10.363 10.800 -13.281 478 HB2 LEU 467 2HB LEU 467 12.851 12.099 -13.987 479 HB3 LEU 467 1HB LEU 467 11.812 13.186 -13.085 480 HG LEU 467 HG LEU 467 13.282 12.042 -11.559 481 HD11 LEU 467 1HD1 LEU 467 11.723 11.564 -9.978 482 HD12 LEU 467 2HD1 LEU 467 10.759 10.567 -11.069 483 HD13 LEU 467 3HD1 LEU 467 10.672 12.326 -11.173 484 HD21 LEU 467 3HD2 LEU 467 12.377 9.635 -13.059 485 HD22 LEU 467 1HD2 LEU 467 12.801 9.467 -11.355 486 HD23 LEU 467 2HD2 LEU 467 13.991 10.080 -12.505 487 HA PRO 468 HA PRO 468 7.185 13.476 -15.042 488 HB2 PRO 468 2HB PRO 468 6.219 13.388 -12.235 489 HB3 PRO 468 1HB PRO 468 5.356 13.031 -13.733 490 HG2 PRO 468 2HG PRO 468 6.119 11.069 -12.098 491 HG3 PRO 468 1HG PRO 468 6.202 10.874 -13.860 492 HD2 PRO 468 2HD PRO 468 8.399 11.440 -11.909 493 HD3 PRO 468 1HD PRO 468 8.404 10.384 -13.337 494 H ALA 469 H ALA 469 8.800 15.192 -15.218 495 HA ALA 469 HA ALA 469 9.106 16.958 -12.930 496 HB1 ALA 469 1HB ALA 469 10.305 16.885 -15.678 497 HB2 ALA 469 2HB ALA 469 11.104 16.718 -14.115 498 HB3 ALA 469 3HB ALA 469 10.490 18.289 -14.628 499 H5' DC 3 H5' DC 3 -4.935 16.527 -9.230 500 H5'' DC 3 H5" DC 3 -6.643 16.223 -8.860 501 H4' DC 3 H4' DC 3 -4.436 16.470 -6.819 502 H3' DC 3 H3' DC 3 -4.607 14.285 -8.387 503 H2' DC 3 H2' DC 3 -6.895 13.719 -7.947 504 H2'' DC 3 H2" DC 3 -6.081 12.761 -6.717 505 H1' DC 3 H1' DC 3 -6.447 14.411 -5.004 506 H41 DC 3 1H4 DC 3 -12.768 15.343 -4.826 507 H42 DC 3 2H4 DC 3 -12.929 14.199 -6.139 508 H5 DC 3 5H DC 3 -11.026 13.278 -7.324 509 H6 DC 3 6H DC 3 -8.593 13.265 -7.483 510 H5' DC 4 H5' DC 4 -2.647 13.343 -4.034 511 H5'' DC 4 H5" DC 4 -1.852 11.754 -3.997 512 H4' DC 4 H4' DC 4 -3.241 12.245 -2.006 513 H3' DC 4 H3' DC 4 -3.705 9.817 -3.672 514 H2' DC 4 H2' DC 4 -5.780 9.374 -2.689 515 H2'' DC 4 H2" DC 4 -5.242 9.953 -1.121 516 H1' DC 4 H1' DC 4 -6.123 12.038 -1.457 517 H41 DC 4 1H4 DC 4 -11.553 11.674 -4.670 518 H42 DC 4 2H4 DC 4 -10.782 10.888 -6.029 519 H5 DC 4 5H DC 4 -8.416 10.372 -6.083 520 H6 DC 4 6H DC 4 -6.317 10.506 -4.848 521 H5' DT 5 H5' DT 5 -3.895 10.867 0.440 522 H5'' DT 5 H5" DT 5 -2.952 9.803 1.504 523 H4' DT 5 H4' DT 5 -4.788 10.889 2.683 524 H3' DT 5 H3' DT 5 -4.124 8.316 3.078 525 H2' DT 5 H2' DT 5 -5.672 7.289 1.570 526 H2'' DT 5 H2" DT 5 -6.629 7.296 3.044 527 H1' DT 5 H1' DT 5 -7.839 9.258 2.420 528 H3 DT 5 3H DT 5 -10.626 8.325 -0.941 529 H71 DT 5 1H7 DT 5 -7.367 6.631 -3.625 530 H72 DT 5 2H7 DT 5 -5.942 7.560 -3.106 531 H73 DT 5 3H7 DT 5 -6.257 5.956 -2.407 532 H6 DT 5 6H DT 5 -5.916 7.812 -0.396 533 H5' DT 6 H5' DT 6 -7.340 8.463 5.397 534 H5'' DT 6 H5" DT 6 -7.367 8.751 7.150 535 H4' DT 6 H4' DT 6 -8.106 6.703 7.609 536 H3' DT 6 H3' DT 6 -6.114 5.686 5.615 537 H2' DT 6 H2' DT 6 -7.417 3.741 5.229 538 H2'' DT 6 H2" DT 6 -8.240 3.866 6.774 539 H1' DT 6 H1' DT 6 -9.978 4.927 5.705 540 H3 DT 6 3H DT 6 -11.186 5.164 1.388 541 H71 DT 6 1H7 DT 6 -6.844 4.946 -0.076 542 H72 DT 6 2H7 DT 6 -5.880 5.290 1.380 543 H73 DT 6 3H7 DT 6 -6.350 3.616 0.999 544 H6 DT 6 6H DT 6 -6.978 4.906 3.621 545 H5' DT 7 H5' DT 7 -7.882 3.590 9.600 546 H5'' DT 7 H5" DT 7 -7.262 1.933 9.765 547 H4' DT 7 H4' DT 7 -9.871 2.585 9.524 548 H3' DT 7 H3' DT 7 -8.623 0.225 9.839 549 H2' DT 7 H2' DT 7 -8.028 -0.193 7.557 550 H2'' DT 7 H2" DT 7 -9.594 -0.988 7.623 551 H1' DT 7 H1' DT 7 -10.736 0.860 6.640 552 H3 DT 7 3H DT 7 -9.648 1.063 2.328 553 H71 DT 7 1H7 DT 7 -5.162 1.361 3.131 554 H72 DT 7 2H7 DT 7 -5.008 0.763 4.800 555 H73 DT 7 3H7 DT 7 -5.218 2.504 4.494 556 H6 DT 7 6H DT 7 -7.065 1.310 6.330 557 H5' DG 8 H5' DG 8 -13.628 -0.715 9.547 558 H5'' DG 8 H5" DG 8 -13.635 -1.917 10.856 559 H4' DG 8 H4' DG 8 -15.132 -2.447 8.944 560 H3' DG 8 H3' DG 8 -13.839 -4.263 10.419 561 H2' DG 8 H2' DG 8 -11.832 -4.459 9.130 562 H2'' DG 8 H2" DG 8 -12.801 -5.730 8.398 563 H1' DG 8 H1' DG 8 -13.427 -4.387 6.538 564 H8 DG 8 8H DG 8 -10.293 -3.281 8.458 565 H1 DG 8 1H DG 8 -9.861 -2.978 2.066 566 H21 DG 8 1H2 DG 8 -11.797 -3.434 1.145 567 H22 DG 8 2H2 DG 8 -13.216 -3.810 2.095 568 H5' DA 9 H5' DA 9 -15.993 -5.574 6.542 569 H5'' DA 9 H5" DA 9 -17.299 -6.543 7.257 570 H4' DA 9 H4' DA 9 -17.228 -7.196 5.025 571 H3' DA 9 H3' DA 9 -16.907 -9.162 6.795 572 H2' DA 9 H2' DA 9 -14.524 -9.230 6.925 573 H2'' DA 9 H2" DA 9 -14.780 -10.383 5.623 574 H1' DA 9 H1' DA 9 -14.208 -8.843 3.933 575 H8 DA 9 8H DA 9 -13.089 -7.888 7.476 576 H61 DA 9 2H6 DA 9 -8.571 -6.462 6.379 577 H62 DA 9 1H6 DA 9 -7.711 -6.267 4.870 578 H2 DA 9 2H DA 9 -10.563 -7.393 1.597 579 H5' DC 10 H5' DC 10 -17.397 -10.583 1.969 580 H5'' DC 10 H5" DC 10 -18.057 -12.206 2.250 581 H4' DC 10 H4' DC 10 -16.690 -11.859 0.149 582 H3' DC 10 H3' DC 10 -17.029 -14.154 1.513 583 H2' DC 10 H2' DC 10 -15.113 -14.088 2.928 584 H2'' DC 10 H2" DC 10 -14.405 -14.885 1.531 585 H1' DC 10 H1' DC 10 -13.392 -12.911 0.719 586 H41 DC 10 1H4 DC 10 -9.785 -10.997 5.556 587 H42 DC 10 2H4 DC 10 -11.088 -11.230 6.699 588 H5 DC 10 5H DC 10 -13.303 -11.948 6.048 589 H6 DC 10 6H DC 10 -14.717 -12.603 4.170 590 H5' DC 11 H5' DC 11 -14.284 -15.681 -2.366 591 H5'' DC 11 H5" DC 11 -15.193 -17.161 -2.733 592 H4' DC 11 H4' DC 11 -12.792 -17.548 -2.716 593 H3' DC 11 H3' DC 11 -14.597 -19.233 -1.531 594 H2' DC 11 H2' DC 11 -14.208 -18.649 0.743 595 H2'' DC 11 H2" DC 11 -12.940 -19.850 0.545 596 H1' DC 11 H1' DC 11 -11.253 -18.209 0.115 597 H41 DC 11 1H4 DC 11 -11.164 -14.678 5.392 598 H42 DC 11 2H4 DC 11 -12.873 -14.943 5.643 599 H5 DC 11 5H DC 11 -14.264 -16.168 4.092 600 H6 DC 11 6H DC 11 -14.308 -17.367 1.971 601 H5' DA 12 H5' DA 12 -10.158 -20.401 -1.896 602 H5'' DA 12 H5" DA 12 -10.103 -21.986 -2.695 603 H4' DA 12 H4' DA 12 -8.120 -21.824 -1.467 604 H3' DA 12 H3' DA 12 -9.695 -23.945 -0.951 605 H2' DA 12 H2' DA 12 -10.834 -23.090 0.973 606 H2'' DA 12 H2" DA 12 -9.480 -23.905 1.742 607 H1' DA 12 H1' DA 12 -8.217 -21.883 1.975 608 H8 DA 12 8H DA 12 -12.038 -21.507 1.656 609 H61 DA 12 2H6 DA 12 -12.675 -18.415 5.356 610 H62 DA 12 1H6 DA 12 -11.564 -17.575 6.419 611 H2 DA 12 2H DA 12 -7.427 -18.754 5.172 612 H5' DT 21 H5' DT 21 -4.534 -14.951 11.702 613 H5'' DT 21 H5" DT 21 -4.792 -16.670 12.062 614 H4' DT 21 H4' DT 21 -2.646 -16.932 10.540 615 H3' DT 21 H3' DT 21 -2.728 -14.283 10.165 616 H2' DT 21 H2' DT 21 -4.967 -14.095 9.322 617 H2'' DT 21 H2" DT 21 -4.067 -14.262 7.822 618 H1' DT 21 H1' DT 21 -4.548 -16.592 7.624 619 H3 DT 21 3H DT 21 -8.849 -17.447 6.800 620 H71 DT 21 1H7 DT 21 -8.910 -14.615 11.256 621 H72 DT 21 2H7 DT 21 -10.349 -14.834 10.232 622 H73 DT 21 3H7 DT 21 -9.263 -13.450 9.957 623 H6 DT 21 6H DT 21 -6.644 -14.764 10.067 624 H5' DG 22 H5' DG 22 -1.334 -15.834 6.233 625 H5'' DG 22 H5" DG 22 0.204 -15.192 5.617 626 H4' DG 22 H4' DG 22 -1.127 -14.650 3.874 627 H3' DG 22 H3' DG 22 -1.058 -12.346 5.717 628 H2' DG 22 H2' DG 22 -3.123 -11.473 5.089 629 H2'' DG 22 H2" DG 22 -2.783 -11.784 3.393 630 H1' DG 22 H1' DG 22 -3.932 -13.749 3.354 631 H8 DG 22 8H DG 22 -4.269 -12.159 6.849 632 H1 DG 22 1H DG 22 -9.594 -14.832 4.475 633 H21 DG 22 1H2 DG 22 -9.188 -15.793 2.594 634 H22 DG 22 2H2 DG 22 -7.624 -15.840 1.837 635 H5' DG 23 H5' DG 23 -1.273 -12.492 1.261 636 H5'' DG 23 H5" DG 23 -0.069 -11.397 0.550 637 H4' DG 23 H4' DG 23 -1.885 -11.646 -0.979 638 H3' DG 23 H3' DG 23 -0.974 -9.201 -0.412 639 H2' DG 23 H2' DG 23 -2.459 -8.604 1.361 640 H2'' DG 23 H2" DG 23 -3.371 -7.993 -0.012 641 H1' DG 23 H1' DG 23 -4.837 -9.844 -0.060 642 H8 DG 23 8H DG 23 -2.903 -9.340 3.214 643 H1 DG 23 1H DG 23 -9.062 -10.993 3.882 644 H21 DG 23 1H2 DG 23 -9.926 -11.489 1.971 645 H22 DG 23 2H2 DG 23 -9.062 -11.434 0.463 646 H5' DT 24 H5' DT 24 -4.230 -8.860 -3.985 647 H5'' DT 24 H5" DT 24 -3.660 -7.592 -5.091 648 H4' DT 24 H4' DT 24 -5.997 -7.304 -4.785 649 H3' DT 24 H3' DT 24 -4.305 -5.224 -3.457 650 H2' DT 24 H2' DT 24 -6.192 -4.262 -2.407 651 H2'' DT 24 H2" DT 24 -7.294 -4.839 -3.647 652 H1' DT 24 H1' DT 24 -7.819 -6.652 -2.359 653 H3 DT 24 3H DT 24 -8.058 -6.468 2.083 654 H71 DT 24 1H7 DT 24 -3.357 -4.354 0.877 655 H72 DT 24 2H7 DT 24 -3.026 -5.980 1.521 656 H73 DT 24 3H7 DT 24 -3.841 -4.769 2.539 657 H6 DT 24 6H DT 24 -4.537 -5.567 -1.005 658 H5' DC 25 H5' DC 25 -7.794 -5.280 -5.603 659 H5'' DC 25 H5" DC 25 -7.890 -4.288 -7.074 660 H4' DC 25 H4' DC 25 -10.101 -4.711 -6.317 661 H3' DC 25 H3' DC 25 -9.377 -2.190 -6.878 662 H2' DC 25 H2' DC 25 -8.792 -1.455 -4.678 663 H2'' DC 25 H2" DC 25 -10.492 -1.007 -4.711 664 H1' DC 25 H1' DC 25 -11.178 -2.937 -3.499 665 H41 DC 25 1H4 DC 25 -7.949 -2.515 1.921 666 H42 DC 25 2H4 DC 25 -6.462 -2.130 1.084 667 H5 DC 25 5H DC 25 -6.302 -2.018 -1.327 668 H6 DC 25 6H DC 25 -7.526 -2.279 -3.420 669 H5' DA 26 H5' DA 26 -13.719 -2.623 -4.952 670 H5'' DA 26 H5" DA 26 -14.682 -2.018 -6.317 671 H4' DA 26 H4' DA 26 -15.921 -1.632 -4.338 672 H3' DA 26 H3' DA 26 -15.572 0.404 -6.023 673 H2' DA 26 H2' DA 26 -13.612 1.389 -5.071 674 H2'' DA 26 H2" DA 26 -14.856 2.291 -4.215 675 H1' DA 26 H1' DA 26 -14.664 0.987 -2.248 676 H8 DA 26 8H DA 26 -11.677 0.901 -4.653 677 H61 DA 26 2H6 DA 26 -8.151 1.253 -1.326 678 H62 DA 26 1H6 DA 26 -8.147 1.237 0.423 679 H2 DA 26 2H DA 26 -12.410 0.742 1.724 680 H5' DA 27 H5' DA 27 -18.194 1.639 -1.932 681 H5'' DA 27 H5" DA 27 -19.594 1.993 -2.965 682 H4' DA 27 H4' DA 27 -19.824 3.258 -0.974 683 H3' DA 27 H3' DA 27 -20.092 4.518 -3.302 684 H2' DA 27 H2' DA 27 -17.850 5.266 -3.641 685 H2'' DA 27 H2" DA 27 -18.499 6.653 -2.778 686 H1' DA 27 H1' DA 27 -17.514 6.033 -0.726 687 H8 DA 27 8H DA 27 -15.979 4.942 -3.979 688 H61 DA 27 2H6 DA 27 -11.328 4.712 -2.578 689 H62 DA 27 1H6 DA 27 -10.546 4.795 -1.016 690 H2 DA 27 2H DA 27 -13.781 5.334 2.041 691 H5' DA 28 H5' DA 28 -19.600 6.935 0.187 692 H5'' DA 28 H5" DA 28 -21.125 7.656 0.741 693 H4' DA 28 H4' DA 28 -19.748 9.123 1.719 694 H3' DA 28 H3' DA 28 -20.767 10.284 -0.530 695 H2' DA 28 H2' DA 28 -18.883 10.124 -1.962 696 H2'' DA 28 H2" DA 28 -18.445 11.606 -1.123 697 H1' DA 28 H1' DA 28 -16.972 10.513 0.374 698 H8 DA 28 8H DA 28 -17.757 8.704 -2.921 699 H61 DA 28 2H6 DA 28 -13.209 7.415 -4.058 700 H62 DA 28 1H6 DA 28 -11.686 7.528 -3.209 701 H2 DA 28 2H DA 28 -12.546 9.435 0.759 702 H5' DG 29 H5' DG 29 -19.123 13.643 2.940 703 H5'' DG 29 H5" DG 29 -19.607 15.196 2.225 704 H4' DG 29 H4' DG 29 -17.287 14.829 3.461 705 H3' DG 29 H3' DG 29 -18.272 16.899 1.963 706 H2' DG 29 H2' DG 29 -17.329 16.292 -0.142 707 H2'' DG 29 H2" DG 29 -15.984 17.208 0.521 708 H1' DG 29 H1' DG 29 -14.855 15.241 1.312 709 H8 DG 29 8H DG 29 -17.446 14.366 -1.441 710 H1 DG 29 1H DG 29 -11.387 12.597 -2.584 711 H21 DG 29 1H2 DG 29 -10.105 13.114 -0.880 712 H22 DG 29 2H2 DG 29 -10.728 13.900 0.553 713 H5' DG 30 H5' DG 30 -13.902 18.436 4.180 714 H5'' DG 30 H5" DG 30 -14.726 19.860 4.848 715 H4' DG 30 H4' DG 30 -12.494 20.457 4.230 716 H3' DG 30 H3' DG 30 -14.556 21.994 3.485 717 H2' DG 30 H2' DG 30 -14.944 21.133 1.304 718 H2'' DG 30 H2" DG 30 -13.792 22.405 0.914 719 H1' DG 30 H1' DG 30 -11.959 20.909 0.766 720 H8 DG 30 8H DG 30 -15.480 19.565 0.241 721 H1 DG 30 1H DG 30 -10.958 16.739 -3.323 722 H21 DG 30 1H2 DG 30 -8.964 17.395 -2.688 723 H22 DG 30 2H2 DG 30 -8.726 18.535 -1.383 Start of MODEL 14 1 H LEU 407 H LEU 407 6.646 12.877 -0.469 2 HA LEU 407 HA LEU 407 7.748 10.750 -2.161 3 HB2 LEU 407 2HB LEU 407 6.689 10.236 0.252 4 HB3 LEU 407 1HB LEU 407 5.207 10.385 -0.671 5 HG LEU 407 HG LEU 407 5.873 8.584 -2.140 6 HD11 LEU 407 2HD1 LEU 407 8.102 8.509 -2.495 7 HD12 LEU 407 3HD1 LEU 407 8.046 7.337 -1.179 8 HD13 LEU 407 1HD1 LEU 407 8.492 9.010 -0.850 9 HD21 LEU 407 1HD2 LEU 407 6.474 7.640 0.645 10 HD22 LEU 407 2HD2 LEU 407 5.623 6.796 -0.649 11 HD23 LEU 407 3HD2 LEU 407 4.859 8.161 0.166 12 H LEU 408 H LEU 408 7.051 13.351 -2.971 13 HA LEU 408 HA LEU 408 4.350 13.098 -4.065 14 HB2 LEU 408 2HB LEU 408 6.279 15.407 -3.917 15 HB3 LEU 408 1HB LEU 408 4.790 15.475 -4.842 16 HG LEU 408 HG LEU 408 4.278 14.588 -2.136 17 HD11 LEU 408 1HD1 LEU 408 6.290 15.910 -1.636 18 HD12 LEU 408 2HD1 LEU 408 4.828 16.638 -0.971 19 HD13 LEU 408 3HD1 LEU 408 5.557 17.301 -2.433 20 HD21 LEU 408 3HD2 LEU 408 2.616 16.321 -2.220 21 HD22 LEU 408 1HD2 LEU 408 2.638 15.478 -3.768 22 HD23 LEU 408 2HD2 LEU 408 3.399 17.062 -3.615 23 H ASP 409 H ASP 409 6.642 15.002 -5.839 24 HA ASP 409 HA ASP 409 6.543 13.001 -7.994 25 HB2 ASP 409 2HB ASP 409 6.921 14.917 -9.533 26 HB3 ASP 409 1HB ASP 409 5.432 15.066 -8.605 27 H ASP 410 H ASP 410 8.466 12.660 -6.022 28 HA ASP 410 HA ASP 410 10.954 13.846 -6.826 29 HB2 ASP 410 2HB ASP 410 10.524 13.103 -4.493 30 HB3 ASP 410 1HB ASP 410 10.471 11.434 -5.058 31 H GLY 411 H GLY 411 9.101 11.074 -7.678 32 HA2 GLY 411 2HA GLY 411 11.057 10.390 -9.734 33 HA3 GLY 411 1HA GLY 411 10.603 9.119 -8.604 34 H TYR 412 H TYR 412 8.185 8.803 -8.365 35 HA TYR 412 HA TYR 412 6.701 9.386 -10.813 36 HB2 TYR 412 2HB TYR 412 7.047 6.597 -9.686 37 HB3 TYR 412 1HB TYR 412 6.031 7.034 -11.054 38 HD1 TYR 412 1HD TYR 412 7.600 8.703 -12.725 39 HD2 TYR 412 2HD TYR 412 8.877 5.383 -10.389 40 HE1 TYR 412 1HE TYR 412 9.503 8.372 -14.246 41 HE2 TYR 412 2HE TYR 412 10.783 5.044 -11.904 42 HH TYR 412 HH TYR 412 11.000 6.368 -14.913 43 H ARG 413 H ARG 413 4.366 8.698 -10.571 44 HA ARG 413 HA ARG 413 3.409 9.638 -8.021 45 HB2 ARG 413 2HB ARG 413 2.454 10.001 -10.472 46 HB3 ARG 413 1HB ARG 413 1.553 8.541 -10.085 47 HG2 ARG 413 2HG ARG 413 0.083 10.163 -9.413 48 HG3 ARG 413 1HG ARG 413 0.943 9.843 -7.904 49 HD2 ARG 413 2HD ARG 413 0.953 12.153 -7.991 50 HD3 ARG 413 1HD ARG 413 2.518 11.745 -8.696 51 HE ARG 413 HE ARG 413 1.805 12.606 -10.696 52 HH11 ARG 413 1HH1 ARG 413 -0.953 12.135 -8.614 53 HH12 ARG 413 2HH1 ARG 413 -2.049 12.964 -9.668 54 HH21 ARG 413 1HH2 ARG 413 0.365 13.703 -12.083 55 HH22 ARG 413 2HH2 ARG 413 -1.301 13.854 -11.638 56 H TRP 414 H TRP 414 2.978 8.405 -6.326 57 HA TRP 414 HA TRP 414 2.259 5.580 -6.779 58 HB2 TRP 414 2HB TRP 414 3.799 6.678 -4.417 59 HB3 TRP 414 1HB TRP 414 3.427 4.985 -4.735 60 HD1 TRP 414 HD TRP 414 5.654 7.840 -5.992 61 HE1 TRP 414 1HE TRP 414 7.590 6.831 -7.358 62 HE3 TRP 414 3HE TRP 414 4.133 2.970 -6.041 63 HZ2 TRP 414 2HZ TRP 414 8.362 4.288 -8.331 64 HZ3 TRP 414 3HZ TRP 414 5.523 1.306 -7.213 65 HH2 TRP 414 HH TRP 414 7.596 1.954 -8.332 66 H ARG 415 H ARG 415 0.606 4.717 -5.587 67 HA ARG 415 HA ARG 415 -0.763 6.502 -3.695 68 HB2 ARG 415 2HB ARG 415 -1.840 6.497 -5.979 69 HB3 ARG 415 1HB ARG 415 -2.211 4.798 -5.721 70 HG2 ARG 415 2HG ARG 415 -3.234 5.835 -3.467 71 HG3 ARG 415 1HG ARG 415 -3.438 7.207 -4.557 72 HD2 ARG 415 2HD ARG 415 -4.213 4.640 -5.723 73 HD3 ARG 415 1HD ARG 415 -5.167 5.099 -4.313 74 HE ARG 415 HE ARG 415 -5.197 7.352 -5.767 75 HH11 ARG 415 1HH1 ARG 415 -5.849 4.030 -6.615 76 HH12 ARG 415 2HH1 ARG 415 -6.975 4.440 -7.864 77 HH21 ARG 415 1HH2 ARG 415 -6.677 7.893 -7.403 78 HH22 ARG 415 2HH2 ARG 415 -7.446 6.636 -8.312 79 H LYS 416 H LYS 416 -0.659 5.523 -1.795 80 HA LYS 416 HA LYS 416 -0.124 2.860 -1.287 81 HB2 LYS 416 2HB LYS 416 -1.354 3.378 0.959 82 HB3 LYS 416 1HB LYS 416 0.140 4.216 0.568 83 HG2 LYS 416 2HG LYS 416 -2.213 5.609 -0.416 84 HG3 LYS 416 1HG LYS 416 -2.234 5.378 1.332 85 HD2 LYS 416 2HD LYS 416 0.225 6.401 -0.040 86 HD3 LYS 416 1HD LYS 416 -1.104 7.495 0.352 87 HE2 LYS 416 2HE LYS 416 -0.431 5.797 2.596 88 HE3 LYS 416 1HE LYS 416 0.971 6.702 2.031 89 HZ1 LYS 416 3HZ LYS 416 0.160 8.564 2.891 90 HZ2 LYS 416 1HZ LYS 416 -1.027 7.634 3.659 91 HZ3 LYS 416 2HZ LYS 416 -1.350 8.347 2.160 92 H TYR 417 H TYR 417 -1.644 1.343 -0.053 93 HA TYR 417 HA TYR 417 -4.418 1.432 -0.509 94 HB2 TYR 417 2HB TYR 417 -4.794 0.115 -2.364 95 HB3 TYR 417 1HB TYR 417 -3.345 0.977 -2.863 96 HD1 TYR 417 1HD TYR 417 -4.520 -2.242 -1.409 97 HD2 TYR 417 2HD TYR 417 -1.421 -0.209 -3.498 98 HE1 TYR 417 1HE TYR 417 -3.402 -4.392 -1.829 99 HE2 TYR 417 2HE TYR 417 -0.295 -2.353 -3.924 100 HH TYR 417 HH TYR 417 -1.778 -5.318 -3.532 101 H GLY 418 H GLY 418 -5.483 -0.062 0.661 102 HA2 GLY 418 2HA GLY 418 -5.849 -1.852 2.066 103 HA3 GLY 418 1HA GLY 418 -4.363 -2.562 1.457 104 H GLN 419 H GLN 419 -4.580 -3.125 3.921 105 HA GLN 419 HA GLN 419 -2.445 -1.921 5.239 106 HB2 GLN 419 2HB GLN 419 -4.093 -0.033 5.453 107 HB3 GLN 419 1HB GLN 419 -5.108 -1.102 6.412 108 HG2 GLN 419 2HG GLN 419 -4.026 -0.234 8.156 109 HG3 GLN 419 1HG GLN 419 -2.722 -1.325 7.695 110 HE21 GLN 419 1HE2 GLN 419 -3.753 1.925 7.962 111 HE22 GLN 419 2HE2 GLN 419 -2.292 2.672 7.419 112 H LYS 420 H LYS 420 -1.699 -3.615 6.283 113 HA LYS 420 HA LYS 420 -3.560 -5.289 7.829 114 HB2 LYS 420 2HB LYS 420 -2.581 -6.161 5.487 115 HB3 LYS 420 1HB LYS 420 -1.243 -6.620 6.530 116 HG2 LYS 420 2HG LYS 420 -3.830 -7.386 7.615 117 HG3 LYS 420 1HG LYS 420 -3.498 -8.103 6.036 118 HD2 LYS 420 2HD LYS 420 -1.117 -8.485 7.242 119 HD3 LYS 420 1HD LYS 420 -2.190 -8.559 8.644 120 HE2 LYS 420 2HE LYS 420 -3.204 -10.474 7.937 121 HE3 LYS 420 1HE LYS 420 -2.983 -10.090 6.230 122 HZ1 LYS 420 3HZ LYS 420 -0.752 -10.881 8.017 123 HZ2 LYS 420 1HZ LYS 420 -0.728 -10.759 6.329 124 HZ3 LYS 420 2HZ LYS 420 -1.622 -11.984 7.077 125 H VAL 421 H VAL 421 -2.608 -6.383 9.656 126 HA VAL 421 HA VAL 421 -0.043 -5.212 10.503 127 HB VAL 421 HB VAL 421 -1.912 -4.422 11.889 128 HG11 VAL 421 1HG1 VAL 421 -3.580 -5.721 12.591 129 HG12 VAL 421 2HG1 VAL 421 -2.467 -6.920 13.247 130 HG13 VAL 421 3HG1 VAL 421 -2.922 -6.980 11.545 131 HG21 VAL 421 3HG2 VAL 421 0.070 -6.294 13.149 132 HG22 VAL 421 1HG2 VAL 421 -1.046 -5.326 14.114 133 HG23 VAL 421 2HG2 VAL 421 0.121 -4.535 13.054 134 H VAL 422 H VAL 422 1.493 -6.597 11.365 135 HA VAL 422 HA VAL 422 0.801 -9.462 11.290 136 HB VAL 422 HB VAL 422 3.247 -9.819 10.674 137 HG11 VAL 422 1HG1 VAL 422 1.139 -9.874 9.162 138 HG12 VAL 422 2HG1 VAL 422 2.738 -9.861 8.417 139 HG13 VAL 422 3HG1 VAL 422 1.791 -8.376 8.498 140 HG21 VAL 422 3HG2 VAL 422 3.036 -6.919 9.875 141 HG22 VAL 422 1HG2 VAL 422 4.398 -7.996 9.574 142 HG23 VAL 422 2HG2 VAL 422 3.990 -7.532 11.226 143 H LYS 423 H LYS 423 1.609 -10.797 12.846 144 HA LYS 423 HA LYS 423 2.429 -9.565 15.312 145 HB2 LYS 423 2HB LYS 423 1.736 -12.351 14.442 146 HB3 LYS 423 1HB LYS 423 2.564 -12.097 15.973 147 HG2 LYS 423 2HG LYS 423 -0.042 -10.796 15.214 148 HG3 LYS 423 1HG LYS 423 0.105 -12.265 16.179 149 HD2 LYS 423 2HD LYS 423 0.707 -11.135 18.028 150 HD3 LYS 423 1HD LYS 423 1.743 -10.026 17.128 151 HE2 LYS 423 2HE LYS 423 -1.265 -9.871 17.158 152 HE3 LYS 423 1HE LYS 423 -0.224 -8.956 18.248 153 HZ1 LYS 423 3HZ LYS 423 -0.719 -8.586 15.401 154 HZ2 LYS 423 1HZ LYS 423 0.863 -8.304 15.933 155 HZ3 LYS 423 2HZ LYS 423 -0.422 -7.437 16.608 156 H GLY 424 H GLY 424 4.237 -11.151 16.497 157 HA2 GLY 424 2HA GLY 424 6.502 -11.561 16.635 158 HA3 GLY 424 1HA GLY 424 6.407 -12.032 14.944 159 H ASN 425 H ASN 425 5.248 -9.102 14.759 160 HA ASN 425 HA ASN 425 7.510 -7.401 15.088 161 HB2 ASN 425 2HB ASN 425 6.828 -8.577 12.431 162 HB3 ASN 425 1HB ASN 425 7.199 -6.857 12.467 163 HD21 ASN 425 1HD2 ASN 425 8.942 -7.709 11.043 164 HD22 ASN 425 2HD2 ASN 425 10.417 -8.201 11.797 165 HA PRO 426 HA PRO 426 2.867 -6.173 15.600 166 HB2 PRO 426 2HB PRO 426 4.606 -4.535 17.420 167 HB3 PRO 426 1HB PRO 426 2.947 -5.091 17.661 168 HG2 PRO 426 2HG PRO 426 5.022 -6.393 18.746 169 HG3 PRO 426 1HG PRO 426 3.597 -7.258 18.144 170 HD2 PRO 426 2HD PRO 426 6.326 -7.178 17.060 171 HD3 PRO 426 1HD PRO 426 5.023 -8.331 16.728 172 H TYR 427 H TYR 427 3.409 -5.384 13.284 173 HA TYR 427 HA TYR 427 3.310 -2.479 13.377 174 HB2 TYR 427 2HB TYR 427 5.528 -3.990 12.013 175 HB3 TYR 427 1HB TYR 427 5.070 -2.366 11.512 176 HD1 TYR 427 1HD TYR 427 6.195 -4.316 14.485 177 HD2 TYR 427 2HD TYR 427 5.968 -0.505 12.608 178 HE1 TYR 427 1HE TYR 427 7.640 -3.376 16.234 179 HE2 TYR 427 2HE TYR 427 7.414 0.446 14.354 180 HH TYR 427 HH TYR 427 9.116 -1.512 16.594 181 HA PRO 428 HA PRO 428 0.544 -3.383 10.014 182 HB2 PRO 428 2HB PRO 428 -0.278 -0.900 9.487 183 HB3 PRO 428 1HB PRO 428 -0.699 -1.697 11.008 184 HG2 PRO 428 2HG PRO 428 1.402 0.357 10.461 185 HG3 PRO 428 1HG PRO 428 0.311 0.213 11.849 186 HD2 PRO 428 2HD PRO 428 2.947 -0.632 11.809 187 HD3 PRO 428 1HD PRO 428 1.710 -1.220 12.937 188 H ARG 429 H ARG 429 1.005 -3.826 7.953 189 HA ARG 429 HA ARG 429 3.158 -2.404 6.617 190 HB2 ARG 429 2HB ARG 429 1.550 -4.710 5.529 191 HB3 ARG 429 1HB ARG 429 3.144 -4.172 5.019 192 HG2 ARG 429 2HG ARG 429 3.712 -4.720 7.556 193 HG3 ARG 429 1HG ARG 429 2.348 -5.820 7.343 194 HD2 ARG 429 2HD ARG 429 4.240 -5.870 5.123 195 HD3 ARG 429 1HD ARG 429 4.960 -6.339 6.662 196 HE ARG 429 HE ARG 429 2.776 -7.838 6.680 197 HH11 ARG 429 1HH1 ARG 429 5.049 -7.247 4.090 198 HH12 ARG 429 2HH1 ARG 429 4.777 -8.783 3.341 199 HH21 ARG 429 1HH2 ARG 429 2.428 -9.855 5.692 200 HH22 ARG 429 2HH2 ARG 429 3.293 -10.262 4.247 201 H SER 430 H SER 430 2.951 -1.677 4.403 202 HA SER 430 HA SER 430 0.230 -0.906 3.607 203 HB2 SER 430 2HB SER 430 2.484 1.041 3.241 204 HB3 SER 430 1HB SER 430 0.750 1.348 3.335 205 HG SER 430 HG SER 430 0.965 0.647 5.598 206 H TYR 431 H TYR 431 -0.129 -0.847 1.385 207 HA TYR 431 HA TYR 431 2.104 -1.873 -0.240 208 HB2 TYR 431 2HB TYR 431 -0.845 -2.171 -0.810 209 HB3 TYR 431 1HB TYR 431 0.486 -2.979 -1.632 210 HD1 TYR 431 2HD TYR 431 1.720 -4.791 -0.515 211 HD2 TYR 431 1HD TYR 431 -1.666 -2.968 1.309 212 HE1 TYR 431 2HE TYR 431 1.557 -6.676 1.055 213 HE2 TYR 431 1HE TYR 431 -1.835 -4.850 2.888 214 HH TYR 431 HH TYR 431 -0.205 -7.757 2.460 215 H TYR 432 H TYR 432 3.009 -0.124 -1.197 216 HA TYR 432 HA TYR 432 1.322 1.951 -2.357 217 HB2 TYR 432 2HB TYR 432 4.296 1.649 -1.972 218 HB3 TYR 432 1HB TYR 432 3.617 2.930 -2.967 219 HD1 TYR 432 2HD TYR 432 3.298 1.488 0.464 220 HD2 TYR 432 1HD TYR 432 3.153 4.960 -1.990 221 HE1 TYR 432 2HE TYR 432 3.009 2.882 2.470 222 HE2 TYR 432 1HE TYR 432 2.865 6.367 0.011 223 HH TYR 432 HH TYR 432 2.054 5.134 3.025 224 H LYS 433 H LYS 433 0.687 1.859 -4.442 225 HA LYS 433 HA LYS 433 2.353 0.288 -6.297 226 HB2 LYS 433 2HB LYS 433 0.394 -0.421 -7.478 227 HB3 LYS 433 1HB LYS 433 0.172 -0.783 -5.774 228 HG2 LYS 433 2HG LYS 433 -1.434 0.867 -5.502 229 HG3 LYS 433 1HG LYS 433 -0.916 1.747 -6.942 230 HD2 LYS 433 2HD LYS 433 -2.738 0.756 -7.847 231 HD3 LYS 433 1HD LYS 433 -1.612 -0.587 -8.068 232 HE2 LYS 433 2HE LYS 433 -2.829 -1.882 -6.739 233 HE3 LYS 433 1HE LYS 433 -2.730 -0.701 -5.434 234 HZ1 LYS 433 3HZ LYS 433 -4.777 -0.886 -7.567 235 HZ2 LYS 433 1HZ LYS 433 -4.595 0.492 -6.600 236 HZ3 LYS 433 2HZ LYS 433 -5.003 -0.990 -5.895 237 H CYS 434 H CYS 434 2.930 1.168 -8.190 238 HA CYS 434 HA CYS 434 2.429 3.995 -8.555 239 HB2 CYS 434 2HB CYS 434 4.656 3.560 -8.982 240 HB3 CYS 434 1HB CYS 434 4.324 1.991 -9.702 241 H THR 435 H THR 435 1.293 4.925 -10.144 242 HA THR 435 HA THR 435 -0.171 3.160 -12.000 243 HB THR 435 HB THR 435 -2.085 4.505 -11.857 244 HG1 THR 435 1HG THR 435 -1.241 6.556 -12.068 245 HG21 THR 435 3HG2 THR 435 -0.802 4.391 -9.131 246 HG22 THR 435 1HG2 THR 435 -1.979 3.275 -9.826 247 HG23 THR 435 2HG2 THR 435 -2.467 4.912 -9.383 248 H THR 436 H THR 436 -0.539 3.997 -14.161 249 HA THR 436 HA THR 436 0.393 6.490 -15.028 250 HB THR 436 HB THR 436 2.266 5.048 -16.475 251 HG1 THR 436 1HG THR 436 1.960 3.419 -14.714 252 HG21 THR 436 3HG2 THR 436 2.249 7.376 -15.235 253 HG22 THR 436 1HG2 THR 436 3.763 6.570 -15.649 254 HG23 THR 436 2HG2 THR 436 3.130 6.469 -14.007 255 HA PRO 437 HA PRO 437 -2.283 5.262 -18.352 256 HB2 PRO 437 2HB PRO 437 -0.484 6.941 -20.031 257 HB3 PRO 437 1HB PRO 437 -2.242 6.993 -19.867 258 HG2 PRO 437 2HG PRO 437 -0.711 8.840 -18.710 259 HG3 PRO 437 1HG PRO 437 -2.156 8.209 -17.899 260 HD2 PRO 437 2HD PRO 437 0.720 7.619 -17.381 261 HD3 PRO 437 1HD PRO 437 -0.634 7.738 -16.242 262 H GLY 438 H GLY 438 -1.387 3.064 -18.275 263 HA2 GLY 438 2HA GLY 438 -0.892 1.449 -20.017 264 HA3 GLY 438 1HA GLY 438 0.338 2.553 -20.610 265 H CYS 439 H CYS 439 0.564 2.672 -17.320 266 HA CYS 439 HA CYS 439 2.350 0.348 -17.171 267 HB2 CYS 439 2HB CYS 439 3.909 2.046 -17.567 268 HB3 CYS 439 1HB CYS 439 3.025 3.215 -16.599 269 H GLY 440 H GLY 440 2.709 -0.511 -15.123 270 HA2 GLY 440 2HA GLY 440 1.410 0.616 -12.804 271 HA3 GLY 440 1HA GLY 440 0.649 -0.848 -13.413 272 H VAL 441 H VAL 441 3.156 0.441 -11.516 273 HA VAL 441 HA VAL 441 4.364 -2.232 -11.197 274 HB VAL 441 HB VAL 441 5.611 0.504 -11.163 275 HG11 VAL 441 1HG1 VAL 441 7.681 -0.653 -10.217 276 HG12 VAL 441 2HG1 VAL 441 6.577 -1.909 -9.659 277 HG13 VAL 441 3HG1 VAL 441 6.390 -0.253 -9.083 278 HG21 VAL 441 3HG2 VAL 441 5.646 -0.891 -13.208 279 HG22 VAL 441 1HG2 VAL 441 6.563 -2.109 -12.320 280 HG23 VAL 441 2HG2 VAL 441 7.254 -0.507 -12.592 281 H ARG 442 H ARG 442 4.976 -2.802 -8.974 282 HA ARG 442 HA ARG 442 3.398 -1.270 -7.017 283 HB2 ARG 442 2HB ARG 442 3.801 -4.196 -7.419 284 HB3 ARG 442 1HB ARG 442 3.566 -3.603 -5.781 285 HG2 ARG 442 2HG ARG 442 1.552 -2.344 -7.127 286 HG3 ARG 442 1HG ARG 442 1.654 -3.890 -7.972 287 HD2 ARG 442 2HD ARG 442 1.541 -3.686 -4.974 288 HD3 ARG 442 1HD ARG 442 0.092 -3.773 -5.970 289 HE ARG 442 HE ARG 442 2.162 -5.875 -5.895 290 HH11 ARG 442 1HH1 ARG 442 -1.192 -4.899 -6.139 291 HH12 ARG 442 2HH1 ARG 442 -1.775 -6.522 -6.252 292 HH21 ARG 442 1HH2 ARG 442 1.380 -7.998 -6.042 293 HH22 ARG 442 2HH2 ARG 442 -0.323 -8.278 -6.196 294 H LYS 443 H LYS 443 4.189 -0.982 -4.953 295 HA LYS 443 HA LYS 443 7.001 -1.637 -4.440 296 HB2 LYS 443 2HB LYS 443 7.220 0.597 -5.160 297 HB3 LYS 443 1HB LYS 443 5.720 1.088 -4.387 298 HG2 LYS 443 2HG LYS 443 6.802 0.771 -2.182 299 HG3 LYS 443 1HG LYS 443 8.315 0.409 -3.015 300 HD2 LYS 443 2HD LYS 443 8.734 2.576 -3.389 301 HD3 LYS 443 1HD LYS 443 7.086 2.883 -3.941 302 HE2 LYS 443 2HE LYS 443 6.551 3.823 -1.995 303 HE3 LYS 443 1HE LYS 443 7.119 2.413 -1.102 304 HZ1 LYS 443 3HZ LYS 443 8.363 4.956 -1.440 305 HZ2 LYS 443 1HZ LYS 443 9.402 3.702 -1.902 306 HZ3 LYS 443 2HZ LYS 443 8.732 3.719 -0.349 307 H HIS 444 H HIS 444 7.429 -2.150 -2.304 308 HA HIS 444 HA HIS 444 5.090 -2.119 -0.515 309 HB2 HIS 444 2HB HIS 444 7.332 -4.068 -0.884 310 HB3 HIS 444 1HB HIS 444 6.530 -3.960 0.678 311 HD1 HIS 444 1HD HIS 444 5.761 -4.730 -2.945 312 HD2 HIS 444 2HD HIS 444 4.136 -5.281 0.840 313 HE1 HIS 444 1HE HIS 444 3.788 -6.255 -3.275 314 HE2 HIS 444 2HE HIS 444 2.770 -6.503 -0.984 315 H VAL 445 H VAL 445 5.292 -1.471 1.598 316 HA VAL 445 HA VAL 445 7.878 -0.359 2.435 317 HB VAL 445 HB VAL 445 5.251 1.066 2.862 318 HG11 VAL 445 1HG1 VAL 445 6.449 2.769 3.865 319 HG12 VAL 445 2HG1 VAL 445 7.969 2.287 3.110 320 HG13 VAL 445 3HG1 VAL 445 7.302 1.336 4.438 321 HG21 VAL 445 3HG2 VAL 445 6.130 0.912 0.442 322 HG22 VAL 445 1HG2 VAL 445 7.398 2.005 0.994 323 HG23 VAL 445 2HG2 VAL 445 5.707 2.498 1.085 324 H GLU 446 H GLU 446 8.454 -1.196 4.346 325 HA GLU 446 HA GLU 446 6.349 -1.848 6.290 326 HB2 GLU 446 2HB GLU 446 8.450 -3.634 5.153 327 HB3 GLU 446 1HB GLU 446 8.025 -3.830 6.848 328 HG2 GLU 446 2HG GLU 446 6.524 -5.264 5.999 329 HG3 GLU 446 1HG GLU 446 5.573 -3.795 5.790 330 H ARG 447 H ARG 447 7.088 -2.011 8.489 331 HA ARG 447 HA ARG 447 9.414 -0.288 9.003 332 HB2 ARG 447 2HB ARG 447 7.041 -0.918 10.768 333 HB3 ARG 447 1HB ARG 447 8.374 0.142 11.200 334 HG2 ARG 447 2HG ARG 447 7.083 1.785 10.426 335 HG3 ARG 447 1HG ARG 447 7.545 1.206 8.825 336 HD2 ARG 447 2HD ARG 447 5.557 0.003 8.559 337 HD3 ARG 447 1HD ARG 447 5.191 0.051 10.282 338 HE ARG 447 HE ARG 447 4.491 2.003 8.333 339 HH11 ARG 447 1HH1 ARG 447 5.382 1.615 11.684 340 HH12 ARG 447 2HH1 ARG 447 4.556 3.047 12.200 341 HH21 ARG 447 1HH2 ARG 447 3.404 3.885 9.006 342 HH22 ARG 447 2HH2 ARG 447 3.432 4.338 10.678 343 H ALA 448 H ALA 448 10.843 -0.829 10.739 344 HA ALA 448 HA ALA 448 11.259 -3.687 10.972 345 HB1 ALA 448 1HB ALA 448 12.900 -1.386 12.025 346 HB2 ALA 448 2HB ALA 448 13.148 -2.216 10.489 347 HB3 ALA 448 3HB ALA 448 13.384 -3.083 12.009 348 H ALA 449 H ALA 449 10.699 -4.903 12.641 349 HA ALA 449 HA ALA 449 9.002 -4.212 14.647 350 HB1 ALA 449 1HB ALA 449 10.812 -6.214 15.648 351 HB2 ALA 449 2HB ALA 449 10.423 -6.501 13.952 352 HB3 ALA 449 3HB ALA 449 9.128 -6.368 15.146 353 H THR 450 H THR 450 12.553 -4.306 14.939 354 HA THR 450 HA THR 450 12.359 -3.042 17.564 355 HB THR 450 HB THR 450 14.994 -3.306 17.286 356 HG1 THR 450 1HG THR 450 15.420 -4.344 15.489 357 HG21 THR 450 3HG2 THR 450 13.537 -4.372 18.991 358 HG22 THR 450 1HG2 THR 450 14.835 -5.428 18.431 359 HG23 THR 450 2HG2 THR 450 13.189 -5.662 17.839 360 H ASP 451 H ASP 451 11.664 -1.513 15.201 361 HA ASP 451 HA ASP 451 12.950 0.894 15.787 362 HB2 ASP 451 2HB ASP 451 14.784 -0.488 14.517 363 HB3 ASP 451 1HB ASP 451 13.862 -0.039 13.087 364 HA PRO 452 HA PRO 452 9.010 1.321 13.483 365 HB2 PRO 452 2HB PRO 452 8.759 3.760 15.089 366 HB3 PRO 452 1HB PRO 452 7.673 2.372 14.985 367 HG2 PRO 452 2HG PRO 452 9.165 2.898 17.180 368 HG3 PRO 452 1HG PRO 452 8.726 1.254 16.689 369 HD2 PRO 452 2HD PRO 452 11.314 2.711 16.348 370 HD3 PRO 452 1HD PRO 452 11.023 1.003 16.742 371 H LYS 453 H LYS 453 11.796 3.293 13.876 372 HA LYS 453 HA LYS 453 10.915 5.304 11.978 373 HB2 LYS 453 2HB LYS 453 13.612 4.972 13.301 374 HB3 LYS 453 1HB LYS 453 13.046 6.385 12.421 375 HG2 LYS 453 2HG LYS 453 11.422 6.874 14.095 376 HG3 LYS 453 1HG LYS 453 11.737 5.345 14.919 377 HD2 LYS 453 2HD LYS 453 13.868 7.429 14.526 378 HD3 LYS 453 1HD LYS 453 12.790 7.434 15.923 379 HE2 LYS 453 2HE LYS 453 14.572 6.238 16.746 380 HE3 LYS 453 1HE LYS 453 13.544 4.940 16.141 381 HZ1 LYS 453 3HZ LYS 453 16.151 5.317 15.501 382 HZ2 LYS 453 1HZ LYS 453 15.352 5.968 14.160 383 HZ3 LYS 453 2HZ LYS 453 15.058 4.370 14.626 384 H ALA 454 H ALA 454 12.594 2.310 11.944 385 HA ALA 454 HA ALA 454 13.998 2.872 9.466 386 HB1 ALA 454 1HB ALA 454 15.129 1.497 11.101 387 HB2 ALA 454 2HB ALA 454 14.780 0.536 9.664 388 HB3 ALA 454 3HB ALA 454 13.789 0.353 11.111 389 H VAL 455 H VAL 455 13.011 2.724 7.569 390 HA VAL 455 HA VAL 455 10.720 0.889 7.319 391 HB VAL 455 HB VAL 455 11.271 3.344 5.651 392 HG11 VAL 455 1HG1 VAL 455 9.953 1.747 4.447 393 HG12 VAL 455 2HG1 VAL 455 8.887 3.041 4.991 394 HG13 VAL 455 3HG1 VAL 455 8.898 1.495 5.837 395 HG21 VAL 455 3HG2 VAL 455 10.343 4.612 7.224 396 HG22 VAL 455 1HG2 VAL 455 10.349 3.219 8.306 397 HG23 VAL 455 2HG2 VAL 455 8.936 3.551 7.305 398 H VAL 456 H VAL 456 10.567 -0.462 5.570 399 HA VAL 456 HA VAL 456 13.009 -0.745 3.956 400 HB VAL 456 HB VAL 456 12.731 -3.028 3.871 401 HG11 VAL 456 1HG1 VAL 456 12.575 -1.927 6.357 402 HG12 VAL 456 2HG1 VAL 456 12.816 -3.641 6.024 403 HG13 VAL 456 3HG1 VAL 456 11.198 -3.029 6.367 404 HG21 VAL 456 3HG2 VAL 456 9.820 -2.448 4.053 405 HG22 VAL 456 1HG2 VAL 456 10.392 -4.036 4.560 406 HG23 VAL 456 2HG2 VAL 456 10.699 -3.470 2.918 407 H THR 457 H THR 457 12.859 -0.895 1.698 408 HA THR 457 HA THR 457 10.174 -0.486 0.567 409 HB THR 457 HB THR 457 12.459 0.938 -0.709 410 HG1 THR 457 1HG THR 457 11.156 1.709 1.695 411 HG21 THR 457 3HG2 THR 457 10.804 2.311 -1.592 412 HG22 THR 457 1HG2 THR 457 9.673 1.958 -0.284 413 HG23 THR 457 2HG2 THR 457 9.995 0.745 -1.523 414 H THR 458 H THR 458 9.705 -1.943 -0.902 415 HA THR 458 HA THR 458 11.887 -3.114 -2.501 416 HB THR 458 HB THR 458 9.357 -4.636 -1.997 417 HG1 THR 458 1HG THR 458 9.895 -4.374 0.089 418 HG21 THR 458 3HG2 THR 458 12.071 -5.144 -3.005 419 HG22 THR 458 1HG2 THR 458 10.551 -5.957 -3.380 420 HG23 THR 458 2HG2 THR 458 11.443 -6.383 -1.919 421 H TYR 459 H TYR 459 11.673 -2.985 -4.658 422 HA TYR 459 HA TYR 459 9.099 -2.014 -5.710 423 HB2 TYR 459 2HB TYR 459 11.927 -1.616 -6.682 424 HB3 TYR 459 1HB TYR 459 10.522 -1.248 -7.679 425 HD1 TYR 459 1HD TYR 459 12.336 -0.333 -4.599 426 HD2 TYR 459 2HD TYR 459 9.228 0.726 -7.307 427 HE1 TYR 459 1HE TYR 459 12.195 1.890 -3.558 428 HE2 TYR 459 2HE TYR 459 9.080 2.951 -6.277 429 HH TYR 459 HH TYR 459 11.152 4.400 -4.712 430 H GLU 460 H GLU 460 8.002 -3.235 -7.099 431 HA GLU 460 HA GLU 460 9.353 -5.601 -8.216 432 HB2 GLU 460 2HB GLU 460 6.437 -5.243 -7.504 433 HB3 GLU 460 1HB GLU 460 7.142 -6.691 -8.210 434 HG2 GLU 460 2HG GLU 460 7.598 -7.449 -6.186 435 HG3 GLU 460 1HG GLU 460 8.649 -6.063 -5.905 436 H GLY 461 H GLY 461 9.857 -5.164 -10.274 437 HA2 GLY 461 2HA GLY 461 9.278 -5.066 -12.544 438 HA3 GLY 461 1HA GLY 461 7.684 -4.489 -12.090 439 H LYS 462 H LYS 462 9.693 -3.534 -14.066 440 HA LYS 462 HA LYS 462 10.437 -0.905 -13.062 441 HB2 LYS 462 2HB LYS 462 12.037 -2.121 -14.458 442 HB3 LYS 462 1HB LYS 462 10.857 -2.221 -15.758 443 HG2 LYS 462 2HG LYS 462 10.953 0.142 -16.116 444 HG3 LYS 462 1HG LYS 462 11.956 0.367 -14.682 445 HD2 LYS 462 2HD LYS 462 13.795 0.025 -15.883 446 HD3 LYS 462 1HD LYS 462 13.199 -1.555 -16.394 447 HE2 LYS 462 2HE LYS 462 13.527 -0.420 -18.400 448 HE3 LYS 462 1HE LYS 462 11.798 -0.243 -18.103 449 HZ1 LYS 462 3HZ LYS 462 12.994 1.824 -18.809 450 HZ2 LYS 462 1HZ LYS 462 13.782 1.810 -17.312 451 HZ3 LYS 462 2HZ LYS 462 12.101 1.967 -17.380 452 H HIS 463 H HIS 463 9.955 1.006 -14.578 453 HA HIS 463 HA HIS 463 7.102 0.924 -15.211 454 HB2 HIS 463 2HB HIS 463 8.899 3.348 -15.088 455 HB3 HIS 463 1HB HIS 463 7.139 3.323 -15.089 456 HD2 HIS 463 2HD HIS 463 10.108 2.672 -12.626 457 HE1 HIS 463 1HE HIS 463 6.496 2.799 -10.405 458 HE2 HIS 463 2HE HIS 463 9.012 2.793 -10.287 459 H ASN 464 H ASN 464 6.285 1.480 -17.215 460 HA ASN 464 HA ASN 464 8.233 1.372 -19.403 461 HB2 ASN 464 2HB ASN 464 5.401 0.526 -19.088 462 HB3 ASN 464 1HB ASN 464 5.897 1.082 -20.683 463 HD21 ASN 464 1HD2 ASN 464 5.058 -1.522 -20.108 464 HD22 ASN 464 2HD2 ASN 464 6.390 -2.593 -20.365 465 H HIS 465 H HIS 465 8.059 3.828 -18.084 466 HA HIS 465 HA HIS 465 7.247 5.522 -20.279 467 HB2 HIS 465 2HB HIS 465 5.876 7.000 -18.835 468 HB3 HIS 465 1HB HIS 465 5.179 5.399 -19.042 469 HD1 HIS 465 1HD HIS 465 6.878 7.549 -16.464 470 HD2 HIS 465 2HD HIS 465 4.893 3.918 -16.734 471 HE1 HIS 465 1HE HIS 465 6.510 6.808 -14.087 472 H ASP 466 H ASP 466 9.721 5.101 -19.673 473 HA ASP 466 HA ASP 466 11.608 5.820 -18.386 474 HB2 ASP 466 2HB ASP 466 10.736 7.432 -20.668 475 HB3 ASP 466 1HB ASP 466 11.868 8.270 -19.610 476 H LEU 467 H LEU 467 10.141 8.992 -18.837 477 HA LEU 467 HA LEU 467 9.844 9.301 -15.952 478 HB2 LEU 467 2HB LEU 467 11.938 10.496 -17.533 479 HB3 LEU 467 1HB LEU 467 10.916 11.741 -16.842 480 HG LEU 467 HG LEU 467 12.809 11.284 -15.388 481 HD11 LEU 467 1HD1 LEU 467 10.622 10.031 -13.850 482 HD12 LEU 467 2HD1 LEU 467 10.281 11.596 -14.588 483 HD13 LEU 467 3HD1 LEU 467 11.630 11.426 -13.466 484 HD21 LEU 467 3HD2 LEU 467 12.650 8.722 -16.209 485 HD22 LEU 467 1HD2 LEU 467 11.873 8.597 -14.631 486 HD23 LEU 467 2HD2 LEU 467 13.511 9.238 -14.759 487 HA PRO 468 HA PRO 468 5.891 10.852 -17.385 488 HB2 PRO 468 2HB PRO 468 6.146 12.257 -14.757 489 HB3 PRO 468 1HB PRO 468 4.768 11.382 -15.435 490 HG2 PRO 468 2HG PRO 468 6.305 10.266 -13.567 491 HG3 PRO 468 1HG PRO 468 5.652 9.308 -14.909 492 HD2 PRO 468 2HD PRO 468 8.424 10.262 -14.438 493 HD3 PRO 468 1HD PRO 468 7.856 8.819 -15.298 494 H ALA 469 H ALA 469 6.596 12.193 -19.052 495 HA ALA 469 HA ALA 469 7.841 14.726 -18.535 496 HB1 ALA 469 1HB ALA 469 7.555 13.056 -20.748 497 HB2 ALA 469 2HB ALA 469 8.352 14.629 -20.700 498 HB3 ALA 469 3HB ALA 469 6.652 14.516 -21.159 499 H5' DC 3 H5' DC 3 -4.361 15.683 -8.972 500 H5'' DC 3 H5" DC 3 -5.899 16.422 -8.486 501 H4' DC 3 H4' DC 3 -3.763 15.695 -6.498 502 H3' DC 3 H3' DC 3 -5.759 13.839 -7.740 503 H2' DC 3 H2' DC 3 -6.392 13.005 -5.622 504 H2'' DC 3 H2" DC 3 -4.841 13.400 -4.897 505 H1' DC 3 H1' DC 3 -5.695 15.368 -4.103 506 H41 DC 3 1H4 DC 3 -11.983 15.955 -3.622 507 H42 DC 3 2H4 DC 3 -12.236 14.793 -4.903 508 H5 DC 3 5H DC 3 -10.415 13.806 -6.165 509 H6 DC 3 6H DC 3 -7.993 13.738 -6.445 510 H5' DC 4 H5' DC 4 -2.315 13.333 -4.792 511 H5'' DC 4 H5" DC 4 -1.788 11.661 -4.511 512 H4' DC 4 H4' DC 4 -2.241 13.200 -2.498 513 H3' DC 4 H3' DC 4 -2.153 10.508 -2.591 514 H2' DC 4 H2' DC 4 -4.476 10.104 -3.043 515 H2'' DC 4 H2" DC 4 -4.463 10.031 -1.286 516 H1' DC 4 H1' DC 4 -5.188 12.318 -1.059 517 H41 DC 4 1H4 DC 4 -10.909 12.106 -3.756 518 H42 DC 4 2H4 DC 4 -10.290 11.286 -5.169 519 H5 DC 4 5H DC 4 -7.946 10.737 -5.453 520 H6 DC 4 6H DC 4 -5.729 10.875 -4.444 521 H5' DT 5 H5' DT 5 -3.169 11.296 2.208 522 H5'' DT 5 H5" DT 5 -1.991 10.158 2.898 523 H4' DT 5 H4' DT 5 -4.078 9.814 3.985 524 H3' DT 5 H3' DT 5 -3.218 7.634 2.137 525 H2' DT 5 H2' DT 5 -5.295 6.530 2.285 526 H2'' DT 5 H2" DT 5 -5.626 7.173 3.885 527 H1' DT 5 H1' DT 5 -6.905 8.833 2.965 528 H3 DT 5 3H DT 5 -9.377 8.362 -0.707 529 H71 DT 5 1H7 DT 5 -5.914 6.890 -3.272 530 H72 DT 5 2H7 DT 5 -4.550 7.779 -2.553 531 H73 DT 5 3H7 DT 5 -4.885 6.105 -2.050 532 H6 DT 5 6H DT 5 -4.746 7.660 0.185 533 H5' DT 6 H5' DT 6 -4.819 7.592 5.918 534 H5'' DT 6 H5" DT 6 -3.925 6.829 7.250 535 H4' DT 6 H4' DT 6 -6.126 6.805 7.965 536 H3' DT 6 H3' DT 6 -4.975 4.366 7.690 537 H2' DT 6 H2' DT 6 -5.930 3.730 5.597 538 H2'' DT 6 H2" DT 6 -7.177 3.135 6.683 539 H1' DT 6 H1' DT 6 -8.563 5.054 6.381 540 H3 DT 6 3H DT 6 -10.354 5.138 2.294 541 H71 DT 6 1H7 DT 6 -6.100 5.121 0.331 542 H72 DT 6 2H7 DT 6 -5.024 4.653 1.670 543 H73 DT 6 3H7 DT 6 -6.012 3.421 0.851 544 H6 DT 6 6H DT 6 -5.875 4.666 3.864 545 H5' DT 7 H5' DT 7 -9.610 3.720 9.533 546 H5'' DT 7 H5" DT 7 -9.406 2.192 10.416 547 H4' DT 7 H4' DT 7 -11.432 2.429 8.903 548 H3' DT 7 H3' DT 7 -9.908 0.122 9.480 549 H2' DT 7 H2' DT 7 -9.171 -0.339 7.290 550 H2'' DT 7 H2" DT 7 -10.823 -0.901 7.066 551 H1' DT 7 H1' DT 7 -11.569 1.190 6.172 552 H3 DT 7 3H DT 7 -10.069 1.080 1.980 553 H71 DT 7 1H7 DT 7 -5.784 1.757 5.178 554 H72 DT 7 2H7 DT 7 -5.749 2.168 3.447 555 H73 DT 7 3H7 DT 7 -5.645 0.467 3.960 556 H6 DT 7 6H DT 7 -7.860 1.332 6.199 557 H5' DG 8 H5' DG 8 -14.676 -1.081 8.736 558 H5'' DG 8 H5" DG 8 -14.895 -2.052 10.206 559 H4' DG 8 H4' DG 8 -16.035 -3.084 8.359 560 H3' DG 8 H3' DG 8 -14.470 -4.531 10.012 561 H2' DG 8 H2' DG 8 -12.471 -4.575 8.701 562 H2'' DG 8 H2" DG 8 -13.265 -6.021 8.097 563 H1' DG 8 H1' DG 8 -14.123 -4.919 6.163 564 H8 DG 8 8H DG 8 -10.995 -3.510 7.846 565 H1 DG 8 1H DG 8 -10.978 -3.299 1.437 566 H21 DG 8 1H2 DG 8 -12.943 -3.876 0.646 567 H22 DG 8 2H2 DG 8 -14.275 -4.313 1.694 568 H5' DA 9 H5' DA 9 -16.778 -6.592 6.571 569 H5'' DA 9 H5" DA 9 -17.639 -7.981 7.266 570 H4' DA 9 H4' DA 9 -17.245 -8.243 4.875 571 H3' DA 9 H3' DA 9 -16.919 -10.248 6.674 572 H2' DA 9 H2' DA 9 -14.553 -10.198 6.905 573 H2'' DA 9 H2" DA 9 -14.670 -11.259 5.509 574 H1' DA 9 H1' DA 9 -14.216 -9.523 3.956 575 H8 DA 9 8H DA 9 -13.046 -8.921 7.573 576 H61 DA 9 2H6 DA 9 -8.536 -7.363 6.525 577 H62 DA 9 1H6 DA 9 -7.726 -7.012 5.009 578 H2 DA 9 2H DA 9 -10.649 -7.804 1.725 579 H5' DC 10 H5' DC 10 -17.261 -11.784 1.737 580 H5'' DC 10 H5" DC 10 -17.692 -13.461 2.131 581 H4' DC 10 H4' DC 10 -16.312 -12.991 0.020 582 H3' DC 10 H3' DC 10 -16.522 -15.291 1.410 583 H2' DC 10 H2' DC 10 -14.671 -15.018 2.897 584 H2'' DC 10 H2" DC 10 -13.866 -15.820 1.555 585 H1' DC 10 H1' DC 10 -13.007 -13.788 0.661 586 H41 DC 10 1H4 DC 10 -9.501 -11.466 5.407 587 H42 DC 10 2H4 DC 10 -10.765 -11.800 6.569 588 H5 DC 10 5H DC 10 -12.911 -12.734 5.973 589 H6 DC 10 6H DC 10 -14.295 -13.542 4.133 590 H5' DC 11 H5' DC 11 -13.825 -17.035 -2.089 591 H5'' DC 11 H5" DC 11 -14.605 -18.584 -2.470 592 H4' DC 11 H4' DC 11 -12.374 -19.050 -1.838 593 H3' DC 11 H3' DC 11 -14.461 -19.908 0.082 594 H2' DC 11 H2' DC 11 -13.011 -20.004 1.902 595 H2'' DC 11 H2" DC 11 -11.780 -20.790 0.924 596 H1' DC 11 H1' DC 11 -10.682 -18.837 0.424 597 H41 DC 11 1H4 DC 11 -10.117 -15.276 5.638 598 H42 DC 11 2H4 DC 11 -11.738 -15.685 6.152 599 H5 DC 11 5H DC 11 -13.240 -17.063 4.848 600 H6 DC 11 6H DC 11 -13.495 -18.327 2.776 601 H5' DA 12 H5' DA 12 -10.936 -22.055 -1.335 602 H5'' DA 12 H5" DA 12 -11.121 -23.785 -1.692 603 H4' DA 12 H4' DA 12 -8.897 -23.406 -0.936 604 H3' DA 12 H3' DA 12 -10.352 -25.377 0.173 605 H2' DA 12 H2' DA 12 -11.155 -24.186 2.090 606 H2'' DA 12 H2" DA 12 -9.699 -24.917 2.748 607 H1' DA 12 H1' DA 12 -8.393 -22.928 2.431 608 H8 DA 12 8H DA 12 -12.211 -22.446 2.661 609 H61 DA 12 2H6 DA 12 -12.198 -18.884 5.971 610 H62 DA 12 1H6 DA 12 -10.922 -17.961 6.731 611 H2 DA 12 2H DA 12 -7.048 -19.472 5.049 612 H5' DT 21 H5' DT 21 -1.872 -16.350 11.216 613 H5'' DT 21 H5" DT 21 -3.609 -16.538 10.912 614 H4' DT 21 H4' DT 21 -1.511 -17.650 9.065 615 H3' DT 21 H3' DT 21 -1.542 -14.983 9.376 616 H2' DT 21 H2' DT 21 -3.877 -14.603 8.985 617 H2'' DT 21 H2" DT 21 -3.236 -14.388 7.362 618 H1' DT 21 H1' DT 21 -3.792 -16.623 6.698 619 H3 DT 21 3H DT 21 -8.142 -17.807 6.638 620 H71 DT 21 1H7 DT 21 -8.100 -13.472 9.379 621 H72 DT 21 2H7 DT 21 -7.730 -14.543 10.750 622 H73 DT 21 3H7 DT 21 -9.245 -14.755 9.841 623 H6 DT 21 6H DT 21 -5.563 -14.807 9.300 624 H5' DG 22 H5' DG 22 -0.419 -15.810 4.924 625 H5'' DG 22 H5" DG 22 1.038 -14.923 4.431 626 H4' DG 22 H4' DG 22 -0.331 -14.233 2.781 627 H3' DG 22 H3' DG 22 -0.780 -12.305 5.023 628 H2' DG 22 H2' DG 22 -2.654 -11.354 3.940 629 H2'' DG 22 H2" DG 22 -2.101 -11.841 2.344 630 H1' DG 22 H1' DG 22 -3.448 -13.686 2.459 631 H8 DG 22 8H DG 22 -3.303 -12.183 5.988 632 H1 DG 22 1H DG 22 -8.709 -15.309 4.527 633 H21 DG 22 1H2 DG 22 -8.525 -16.289 2.621 634 H22 DG 22 2H2 DG 22 -7.097 -16.228 1.624 635 H5' DG 23 H5' DG 23 -0.368 -11.864 0.394 636 H5'' DG 23 H5" DG 23 0.146 -10.216 -0.029 637 H4' DG 23 H4' DG 23 -1.670 -11.291 -1.444 638 H3' DG 23 H3' DG 23 -1.230 -8.667 -1.052 639 H2' DG 23 H2' DG 23 -2.676 -8.303 0.815 640 H2'' DG 23 H2" DG 23 -3.794 -7.975 -0.502 641 H1' DG 23 H1' DG 23 -4.781 -10.139 -0.400 642 H8 DG 23 8H DG 23 -2.821 -9.209 2.795 643 H1 DG 23 1H DG 23 -8.776 -11.411 3.713 644 H21 DG 23 1H2 DG 23 -9.648 -12.030 1.851 645 H22 DG 23 2H2 DG 23 -8.844 -11.932 0.308 646 H5' DT 24 H5' DT 24 -4.531 -8.691 -4.689 647 H5'' DT 24 H5" DT 24 -4.080 -7.288 -5.681 648 H4' DT 24 H4' DT 24 -6.409 -7.174 -5.052 649 H3' DT 24 H3' DT 24 -4.567 -5.068 -4.041 650 H2' DT 24 H2' DT 24 -6.060 -4.326 -2.406 651 H2'' DT 24 H2" DT 24 -7.439 -4.565 -3.469 652 H1' DT 24 H1' DT 24 -7.913 -6.634 -2.622 653 H3 DT 24 3H DT 24 -8.278 -6.818 1.807 654 H71 DT 24 1H7 DT 24 -4.056 -5.224 2.515 655 H72 DT 24 2H7 DT 24 -3.481 -4.771 0.893 656 H73 DT 24 3H7 DT 24 -3.233 -6.428 1.494 657 H6 DT 24 6H DT 24 -4.663 -5.703 -1.083 658 H5' DC 25 H5' DC 25 -8.468 -4.895 -6.769 659 H5'' DC 25 H5" DC 25 -8.693 -3.265 -7.438 660 H4' DC 25 H4' DC 25 -10.757 -4.690 -6.843 661 H3' DC 25 H3' DC 25 -10.605 -2.046 -7.208 662 H2' DC 25 H2' DC 25 -10.022 -1.363 -4.993 663 H2'' DC 25 H2" DC 25 -11.775 -1.280 -4.886 664 H1' DC 25 H1' DC 25 -11.954 -3.362 -3.765 665 H41 DC 25 1H4 DC 25 -8.341 -2.504 1.355 666 H42 DC 25 2H4 DC 25 -6.957 -2.059 0.383 667 H5 DC 25 5H DC 25 -6.999 -1.999 -2.031 668 H6 DC 25 6H DC 25 -8.378 -2.362 -4.008 669 H5' DA 26 H5' DA 26 -15.167 -2.624 -5.172 670 H5'' DA 26 H5" DA 26 -16.017 -1.640 -6.383 671 H4' DA 26 H4' DA 26 -16.772 -1.186 -4.102 672 H3' DA 26 H3' DA 26 -16.374 0.744 -5.971 673 H2' DA 26 H2' DA 26 -14.220 1.498 -5.259 674 H2'' DA 26 H2" DA 26 -15.246 2.539 -4.278 675 H1' DA 26 H1' DA 26 -15.075 1.123 -2.351 676 H8 DA 26 8H DA 26 -12.225 0.926 -4.936 677 H61 DA 26 2H6 DA 26 -8.516 1.216 -1.807 678 H62 DA 26 1H6 DA 26 -8.418 1.232 -0.061 679 H2 DA 26 2H DA 26 -12.622 0.917 1.471 680 H5' DA 27 H5' DA 27 -18.754 2.368 -1.646 681 H5'' DA 27 H5" DA 27 -19.908 3.211 -2.699 682 H4' DA 27 H4' DA 27 -19.683 4.316 -0.547 683 H3' DA 27 H3' DA 27 -19.775 5.673 -2.884 684 H2' DA 27 H2' DA 27 -17.430 6.016 -3.208 685 H2'' DA 27 H2" DA 27 -17.823 7.457 -2.279 686 H1' DA 27 H1' DA 27 -17.084 6.502 -0.217 687 H8 DA 27 8H DA 27 -15.557 5.437 -3.524 688 H61 DA 27 2H6 DA 27 -10.958 4.896 -2.039 689 H62 DA 27 1H6 DA 27 -10.198 4.922 -0.464 690 H2 DA 27 2H DA 27 -13.450 5.644 2.537 691 H5' DA 28 H5' DA 28 -18.666 7.623 0.795 692 H5'' DA 28 H5" DA 28 -20.094 8.504 1.381 693 H4' DA 28 H4' DA 28 -18.507 9.518 2.626 694 H3' DA 28 H3' DA 28 -19.391 11.202 0.685 695 H2' DA 28 H2' DA 28 -17.573 10.987 -0.847 696 H2'' DA 28 H2" DA 28 -16.960 12.293 0.158 697 H1' DA 28 H1' DA 28 -15.625 10.824 1.497 698 H8 DA 28 8H DA 28 -16.542 9.583 -2.036 699 H61 DA 28 2H6 DA 28 -12.082 8.208 -3.397 700 H62 DA 28 1H6 DA 28 -10.550 8.116 -2.557 701 H2 DA 28 2H DA 28 -11.283 9.498 1.645 702 H5' DG 29 H5' DG 29 -16.707 13.484 4.576 703 H5'' DG 29 H5" DG 29 -17.669 14.957 4.338 704 H4' DG 29 H4' DG 29 -15.268 15.189 5.182 705 H3' DG 29 H3' DG 29 -16.769 17.020 3.901 706 H2' DG 29 H2' DG 29 -16.109 16.563 1.650 707 H2'' DG 29 H2" DG 29 -14.894 17.759 2.083 708 H1' DG 29 H1' DG 29 -13.230 16.123 2.537 709 H8 DG 29 8H DG 29 -16.133 15.033 0.272 710 H1 DG 29 1H DG 29 -10.306 13.105 -1.592 711 H21 DG 29 1H2 DG 29 -8.810 13.622 -0.078 712 H22 DG 29 2H2 DG 29 -9.224 14.449 1.406 713 H5' DG 30 H5' DG 30 -12.667 19.410 5.629 714 H5'' DG 30 H5" DG 30 -13.467 20.908 6.148 715 H4' DG 30 H4' DG 30 -11.347 21.366 5.064 716 H3' DG 30 H3' DG 30 -13.591 22.796 4.543 717 H2' DG 30 H2' DG 30 -14.238 21.700 2.517 718 H2'' DG 30 H2" DG 30 -13.222 22.982 1.872 719 H1' DG 30 H1' DG 30 -11.290 21.553 1.719 720 H8 DG 30 8H DG 30 -14.816 20.183 1.367 721 H1 DG 30 1H DG 30 -10.430 17.262 -2.290 722 H21 DG 30 1H2 DG 30 -8.415 17.914 -1.737 723 H22 DG 30 2H2 DG 30 -8.125 19.078 -0.462 Start of MODEL 15 1 H LEU 407 H LEU 407 9.684 8.492 3.241 2 HA LEU 407 HA LEU 407 9.695 5.666 2.427 3 HB2 LEU 407 2HB LEU 407 7.606 7.670 2.497 4 HB3 LEU 407 1HB LEU 407 7.933 7.167 0.848 5 HG LEU 407 HG LEU 407 6.157 5.811 1.716 6 HD11 LEU 407 2HD1 LEU 407 6.930 3.853 0.919 7 HD12 LEU 407 3HD1 LEU 407 8.325 3.840 1.997 8 HD13 LEU 407 1HD1 LEU 407 8.357 4.812 0.525 9 HD21 LEU 407 1HD2 LEU 407 6.576 6.125 4.093 10 HD22 LEU 407 2HD2 LEU 407 8.028 5.130 3.982 11 HD23 LEU 407 3HD2 LEU 407 6.443 4.408 3.704 12 H LEU 408 H LEU 408 11.432 5.491 1.154 13 HA LEU 408 HA LEU 408 12.540 7.709 -0.279 14 HB2 LEU 408 2HB LEU 408 13.147 4.758 -0.470 15 HB3 LEU 408 1HB LEU 408 14.098 6.034 -1.205 16 HG LEU 408 HG LEU 408 13.749 6.438 1.660 17 HD11 LEU 408 1HD1 LEU 408 15.072 3.906 0.702 18 HD12 LEU 408 2HD1 LEU 408 13.707 4.048 1.810 19 HD13 LEU 408 3HD1 LEU 408 15.305 4.607 2.304 20 HD21 LEU 408 3HD2 LEU 408 15.369 7.576 0.117 21 HD22 LEU 408 1HD2 LEU 408 16.257 6.055 0.037 22 HD23 LEU 408 2HD2 LEU 408 16.083 6.894 1.577 23 H ASP 409 H ASP 409 10.862 8.420 -1.645 24 HA ASP 409 HA ASP 409 9.896 6.580 -3.696 25 HB2 ASP 409 2HB ASP 409 8.661 8.622 -2.336 26 HB3 ASP 409 1HB ASP 409 9.055 9.388 -3.872 27 H ASP 410 H ASP 410 10.319 6.786 -5.860 28 HA ASP 410 HA ASP 410 12.647 8.409 -6.535 29 HB2 ASP 410 2HB ASP 410 12.540 5.961 -7.107 30 HB3 ASP 410 1HB ASP 410 11.252 6.346 -8.246 31 H GLY 411 H GLY 411 9.795 9.423 -6.227 32 HA2 GLY 411 2HA GLY 411 8.823 11.310 -7.193 33 HA3 GLY 411 1HA GLY 411 9.849 11.088 -8.603 34 H TYR 412 H TYR 412 7.858 8.549 -7.225 35 HA TYR 412 HA TYR 412 6.236 8.609 -9.685 36 HB2 TYR 412 2HB TYR 412 6.790 6.267 -7.855 37 HB3 TYR 412 1HB TYR 412 5.856 6.214 -9.344 38 HD1 TYR 412 2HD TYR 412 7.681 8.003 -11.001 39 HD2 TYR 412 1HD TYR 412 8.493 4.724 -8.413 40 HE1 TYR 412 2HE TYR 412 9.730 7.515 -12.270 41 HE2 TYR 412 1HE TYR 412 10.543 4.229 -9.676 42 HH TYR 412 HH TYR 412 12.166 5.930 -11.293 43 H ARG 413 H ARG 413 4.069 7.291 -9.212 44 HA ARG 413 HA ARG 413 2.818 8.633 -6.906 45 HB2 ARG 413 2HB ARG 413 2.142 8.740 -9.603 46 HB3 ARG 413 1HB ARG 413 0.976 7.615 -8.923 47 HG2 ARG 413 2HG ARG 413 -0.031 9.210 -7.650 48 HG3 ARG 413 1HG ARG 413 1.444 10.165 -7.482 49 HD2 ARG 413 2HD ARG 413 1.180 10.608 -10.007 50 HD3 ARG 413 1HD ARG 413 -0.476 10.045 -9.784 51 HE ARG 413 HE ARG 413 -0.953 12.080 -8.891 52 HH11 ARG 413 1HH1 ARG 413 2.466 11.506 -8.486 53 HH12 ARG 413 2HH1 ARG 413 2.767 13.053 -7.769 54 HH21 ARG 413 1HH2 ARG 413 -0.559 14.115 -7.951 55 HH22 ARG 413 2HH2 ARG 413 1.051 14.534 -7.467 56 H TRP 414 H TRP 414 2.349 7.321 -5.276 57 HA TRP 414 HA TRP 414 1.617 4.532 -5.894 58 HB2 TRP 414 2HB TRP 414 2.937 5.513 -3.358 59 HB3 TRP 414 1HB TRP 414 2.634 3.841 -3.819 60 HD1 TRP 414 HD TRP 414 4.896 6.819 -4.724 61 HE1 TRP 414 1HE TRP 414 6.993 5.906 -5.906 62 HE3 TRP 414 3HE TRP 414 3.526 1.915 -5.121 63 HZ2 TRP 414 2HZ TRP 414 7.937 3.430 -6.887 64 HZ3 TRP 414 3HZ TRP 414 5.077 0.336 -6.204 65 HH2 TRP 414 HH TRP 414 7.239 1.082 -7.064 66 H ARG 415 H ARG 415 -0.197 3.708 -5.005 67 HA ARG 415 HA ARG 415 -1.846 5.556 -3.430 68 HB2 ARG 415 2HB ARG 415 -2.865 4.858 -5.523 69 HB3 ARG 415 1HB ARG 415 -2.625 3.166 -5.111 70 HG2 ARG 415 2HG ARG 415 -4.178 3.392 -3.245 71 HG3 ARG 415 1HG ARG 415 -4.408 5.097 -3.640 72 HD2 ARG 415 2HD ARG 415 -6.193 4.266 -4.760 73 HD3 ARG 415 1HD ARG 415 -4.982 4.038 -6.021 74 HE ARG 415 HE ARG 415 -4.876 1.716 -4.639 75 HH11 ARG 415 1HH1 ARG 415 -7.497 3.514 -6.081 76 HH12 ARG 415 2HH1 ARG 415 -8.451 2.106 -6.408 77 HH21 ARG 415 1HH2 ARG 415 -6.127 -0.138 -5.068 78 HH22 ARG 415 2HH2 ARG 415 -7.673 0.031 -5.832 79 H LYS 416 H LYS 416 -2.189 5.147 -1.356 80 HA LYS 416 HA LYS 416 -1.115 2.834 -0.088 81 HB2 LYS 416 2HB LYS 416 -1.181 4.953 1.093 82 HB3 LYS 416 1HB LYS 416 -2.931 5.024 0.940 83 HG2 LYS 416 2HG LYS 416 -3.275 3.616 2.668 84 HG3 LYS 416 1HG LYS 416 -1.849 2.645 2.304 85 HD2 LYS 416 2HD LYS 416 -1.476 3.749 4.391 86 HD3 LYS 416 1HD LYS 416 -0.442 4.509 3.180 87 HE2 LYS 416 2HE LYS 416 -1.283 6.431 3.968 88 HE3 LYS 416 1HE LYS 416 -2.701 6.021 3.004 89 HZ1 LYS 416 3HZ LYS 416 -2.513 4.960 5.729 90 HZ2 LYS 416 1HZ LYS 416 -3.881 5.399 4.835 91 HZ3 LYS 416 2HZ LYS 416 -2.907 6.593 5.534 92 H TYR 417 H TYR 417 -2.076 0.963 0.472 93 HA TYR 417 HA TYR 417 -4.927 0.746 0.689 94 HB2 TYR 417 2HB TYR 417 -5.430 -0.633 -1.138 95 HB3 TYR 417 1HB TYR 417 -4.431 0.647 -1.812 96 HD1 TYR 417 1HD TYR 417 -2.105 0.172 -2.486 97 HD2 TYR 417 2HD TYR 417 -4.700 -2.916 -1.137 98 HE1 TYR 417 1HE TYR 417 -0.598 -1.512 -3.452 99 HE2 TYR 417 2HE TYR 417 -3.202 -4.606 -2.096 100 HH TYR 417 HH TYR 417 -0.919 -4.866 -2.785 101 H GLY 418 H GLY 418 -5.507 -0.736 2.038 102 HA2 GLY 418 2HA GLY 418 -5.525 -2.729 3.221 103 HA3 GLY 418 1HA GLY 418 -4.054 -3.210 2.391 104 H GLN 419 H GLN 419 -4.236 -3.821 4.981 105 HA GLN 419 HA GLN 419 -1.970 -2.580 6.109 106 HB2 GLN 419 2HB GLN 419 -4.358 -1.181 6.579 107 HB3 GLN 419 1HB GLN 419 -4.026 -2.048 8.073 108 HG2 GLN 419 2HG GLN 419 -1.608 -0.871 7.127 109 HG3 GLN 419 1HG GLN 419 -2.877 0.351 7.150 110 HE21 GLN 419 1HE2 GLN 419 -2.795 1.483 8.944 111 HE22 GLN 419 2HE2 GLN 419 -2.475 0.871 10.527 112 H LYS 420 H LYS 420 -1.159 -3.754 7.827 113 HA LYS 420 HA LYS 420 -2.722 -5.653 9.278 114 HB2 LYS 420 2HB LYS 420 -1.461 -6.486 6.790 115 HB3 LYS 420 1HB LYS 420 -0.894 -7.431 8.158 116 HG2 LYS 420 2HG LYS 420 -3.400 -7.691 8.722 117 HG3 LYS 420 1HG LYS 420 -3.659 -7.184 7.052 118 HD2 LYS 420 2HD LYS 420 -1.610 -9.248 7.334 119 HD3 LYS 420 1HD LYS 420 -3.204 -9.760 7.895 120 HE2 LYS 420 2HE LYS 420 -4.083 -9.740 5.818 121 HE3 LYS 420 1HE LYS 420 -3.173 -8.309 5.335 122 HZ1 LYS 420 3HZ LYS 420 -1.186 -9.785 5.193 123 HZ2 LYS 420 1HZ LYS 420 -2.392 -10.126 4.056 124 HZ3 LYS 420 2HZ LYS 420 -2.208 -11.112 5.417 125 H VAL 421 H VAL 421 -1.544 -6.695 10.943 126 HA VAL 421 HA VAL 421 1.100 -5.491 11.437 127 HB VAL 421 HB VAL 421 -0.604 -4.807 13.074 128 HG11 VAL 421 1HG1 VAL 421 -1.568 -7.366 12.821 129 HG12 VAL 421 2HG1 VAL 421 -2.056 -6.197 14.050 130 HG13 VAL 421 3HG1 VAL 421 -0.808 -7.390 14.412 131 HG21 VAL 421 3HG2 VAL 421 1.518 -6.656 14.156 132 HG22 VAL 421 1HG2 VAL 421 0.621 -5.482 15.118 133 HG23 VAL 421 2HG2 VAL 421 1.684 -4.932 13.823 134 H VAL 422 H VAL 422 2.748 -6.804 12.319 135 HA VAL 422 HA VAL 422 2.257 -9.698 12.055 136 HB VAL 422 HB VAL 422 4.815 -9.755 11.584 137 HG11 VAL 422 1HG1 VAL 422 3.284 -10.518 9.950 138 HG12 VAL 422 2HG1 VAL 422 4.352 -9.377 9.134 139 HG13 VAL 422 3HG1 VAL 422 2.726 -8.881 9.604 140 HG21 VAL 422 3HG2 VAL 422 5.591 -7.770 10.316 141 HG22 VAL 422 1HG2 VAL 422 5.322 -7.445 12.029 142 HG23 VAL 422 2HG2 VAL 422 4.139 -6.914 10.834 143 H LYS 423 H LYS 423 3.130 -11.072 13.545 144 HA LYS 423 HA LYS 423 3.992 -9.865 16.058 145 HB2 LYS 423 2HB LYS 423 2.357 -12.100 15.339 146 HB3 LYS 423 1HB LYS 423 3.719 -12.686 16.286 147 HG2 LYS 423 2HG LYS 423 2.335 -12.208 17.998 148 HG3 LYS 423 1HG LYS 423 3.018 -10.593 17.795 149 HD2 LYS 423 2HD LYS 423 0.861 -9.958 17.673 150 HD3 LYS 423 1HD LYS 423 0.983 -10.520 16.004 151 HE2 LYS 423 2HE LYS 423 0.146 -12.718 16.692 152 HE3 LYS 423 1HE LYS 423 0.009 -12.143 18.354 153 HZ1 LYS 423 3HZ LYS 423 -1.423 -10.901 16.073 154 HZ2 LYS 423 1HZ LYS 423 -1.670 -10.614 17.721 155 HZ3 LYS 423 2HZ LYS 423 -2.097 -12.105 17.050 156 H GLY 424 H GLY 424 5.939 -10.097 16.862 157 HA2 GLY 424 2HA GLY 424 8.033 -11.325 17.196 158 HA3 GLY 424 1HA GLY 424 7.874 -11.907 15.535 159 H ASN 425 H ASN 425 6.699 -9.095 15.199 160 HA ASN 425 HA ASN 425 8.919 -7.290 15.292 161 HB2 ASN 425 2HB ASN 425 9.378 -8.474 13.162 162 HB3 ASN 425 1HB ASN 425 7.733 -8.146 12.626 163 HD21 ASN 425 1HD2 ASN 425 7.272 -6.239 11.697 164 HD22 ASN 425 2HD2 ASN 425 8.413 -4.962 11.461 165 HA PRO 426 HA PRO 426 4.216 -6.408 16.192 166 HB2 PRO 426 2HB PRO 426 5.981 -4.687 17.902 167 HB3 PRO 426 1HB PRO 426 4.387 -5.351 18.258 168 HG2 PRO 426 2HG PRO 426 6.650 -6.514 19.140 169 HG3 PRO 426 1HG PRO 426 5.209 -7.451 18.708 170 HD2 PRO 426 2HD PRO 426 7.795 -7.325 17.364 171 HD3 PRO 426 1HD PRO 426 6.458 -8.458 17.111 172 H TYR 427 H TYR 427 4.375 -5.503 13.883 173 HA TYR 427 HA TYR 427 4.188 -2.625 14.126 174 HB2 TYR 427 2HB TYR 427 6.396 -3.926 12.554 175 HB3 TYR 427 1HB TYR 427 5.795 -2.328 12.134 176 HD1 TYR 427 1HD TYR 427 7.384 -4.288 14.867 177 HD2 TYR 427 2HD TYR 427 6.496 -0.417 13.331 178 HE1 TYR 427 1HE TYR 427 8.883 -3.287 16.533 179 HE2 TYR 427 2HE TYR 427 7.988 0.593 15.004 180 HH TYR 427 HH TYR 427 10.168 -1.243 16.868 181 HA PRO 428 HA PRO 428 1.230 -3.521 10.927 182 HB2 PRO 428 2HB PRO 428 0.229 -1.067 10.604 183 HB3 PRO 428 1HB PRO 428 -0.028 -1.964 12.105 184 HG2 PRO 428 2HG PRO 428 1.911 0.235 11.520 185 HG3 PRO 428 1HG PRO 428 0.931 -0.038 12.971 186 HD2 PRO 428 2HD PRO 428 3.598 -0.728 12.714 187 HD3 PRO 428 1HD PRO 428 2.473 -1.451 13.880 188 H ARG 429 H ARG 429 1.516 -3.792 8.804 189 HA ARG 429 HA ARG 429 3.418 -2.062 7.403 190 HB2 ARG 429 2HB ARG 429 3.205 -3.910 5.618 191 HB3 ARG 429 1HB ARG 429 4.061 -4.277 7.107 192 HG2 ARG 429 2HG ARG 429 2.100 -5.416 7.983 193 HG3 ARG 429 1HG ARG 429 1.203 -5.016 6.516 194 HD2 ARG 429 2HD ARG 429 2.068 -7.325 6.515 195 HD3 ARG 429 1HD ARG 429 2.702 -6.359 5.184 196 HE ARG 429 HE ARG 429 4.694 -6.057 6.795 197 HH11 ARG 429 1HH1 ARG 429 2.793 -8.973 6.459 198 HH12 ARG 429 2HH1 ARG 429 4.082 -10.012 6.958 199 HH21 ARG 429 1HH2 ARG 429 6.383 -7.432 7.445 200 HH22 ARG 429 2HH2 ARG 429 6.116 -9.143 7.514 201 H SER 430 H SER 430 2.943 -1.735 5.022 202 HA SER 430 HA SER 430 0.108 -1.359 4.419 203 HB2 SER 430 2HB SER 430 2.091 0.888 4.011 204 HB3 SER 430 1HB SER 430 0.335 0.950 3.856 205 HG SER 430 HG SER 430 0.359 0.374 6.186 206 H TYR 431 H TYR 431 -0.346 -1.285 2.148 207 HA TYR 431 HA TYR 431 1.944 -2.171 0.517 208 HB2 TYR 431 2HB TYR 431 -1.000 -2.734 0.113 209 HB3 TYR 431 1HB TYR 431 0.316 -3.345 -0.888 210 HD1 TYR 431 2HD TYR 431 -0.666 -3.268 2.724 211 HD2 TYR 431 1HD TYR 431 1.034 -5.495 -0.479 212 HE1 TYR 431 2HE TYR 431 -0.438 -5.217 4.209 213 HE2 TYR 431 1HE TYR 431 1.267 -7.449 0.996 214 HH TYR 431 HH TYR 431 1.447 -7.899 3.436 215 H TYR 432 H TYR 432 2.721 -0.518 -0.633 216 HA TYR 432 HA TYR 432 0.860 1.411 -1.833 217 HB2 TYR 432 2HB TYR 432 3.782 1.463 -1.149 218 HB3 TYR 432 1HB TYR 432 3.163 2.543 -2.391 219 HD1 TYR 432 1HD TYR 432 1.177 4.058 -1.726 220 HD2 TYR 432 2HD TYR 432 3.684 2.085 1.087 221 HE1 TYR 432 1HE TYR 432 0.488 5.664 0.008 222 HE2 TYR 432 2HE TYR 432 3.005 3.681 2.828 223 HH TYR 432 HH TYR 432 1.249 6.544 2.114 224 H LYS 433 H LYS 433 0.273 1.024 -3.898 225 HA LYS 433 HA LYS 433 2.191 -0.407 -5.621 226 HB2 LYS 433 2HB LYS 433 0.251 -1.119 -6.963 227 HB3 LYS 433 1HB LYS 433 0.157 -1.676 -5.300 228 HG2 LYS 433 2HG LYS 433 -1.313 0.376 -4.889 229 HG3 LYS 433 1HG LYS 433 -1.430 0.478 -6.647 230 HD2 LYS 433 2HD LYS 433 -1.945 -2.154 -5.370 231 HD3 LYS 433 1HD LYS 433 -3.175 -0.901 -5.194 232 HE2 LYS 433 2HE LYS 433 -3.606 -0.825 -7.463 233 HE3 LYS 433 1HE LYS 433 -2.023 -1.473 -7.889 234 HZ1 LYS 433 3HZ LYS 433 -4.018 -3.116 -6.458 235 HZ2 LYS 433 1HZ LYS 433 -2.681 -3.627 -7.362 236 HZ3 LYS 433 2HZ LYS 433 -4.037 -2.988 -8.144 237 H CYS 434 H CYS 434 3.153 0.757 -7.121 238 HA CYS 434 HA CYS 434 2.395 3.420 -7.739 239 HB2 CYS 434 2HB CYS 434 4.702 2.945 -7.905 240 HB3 CYS 434 1HB CYS 434 4.425 1.513 -8.884 241 H THR 435 H THR 435 0.892 4.093 -9.084 242 HA THR 435 HA THR 435 -0.094 2.260 -11.159 243 HB THR 435 HB THR 435 -2.148 3.543 -11.181 244 HG1 THR 435 1HG THR 435 -2.400 5.367 -9.901 245 HG21 THR 435 3HG2 THR 435 -2.991 2.545 -9.348 246 HG22 THR 435 1HG2 THR 435 -1.863 3.365 -8.266 247 HG23 THR 435 2HG2 THR 435 -1.355 1.918 -9.139 248 H THR 436 H THR 436 -0.790 3.271 -13.213 249 HA THR 436 HA THR 436 -0.062 5.840 -14.005 250 HB THR 436 HB THR 436 1.746 4.284 -15.614 251 HG1 THR 436 1HG THR 436 2.643 4.432 -12.936 252 HG21 THR 436 3HG2 THR 436 1.649 6.823 -14.188 253 HG22 THR 436 1HG2 THR 436 2.452 6.408 -15.702 254 HG23 THR 436 2HG2 THR 436 3.253 6.089 -14.165 255 HA PRO 437 HA PRO 437 -2.732 4.807 -17.338 256 HB2 PRO 437 2HB PRO 437 -0.687 5.581 -19.358 257 HB3 PRO 437 1HB PRO 437 -2.346 6.138 -19.159 258 HG2 PRO 437 2HG PRO 437 -0.243 7.650 -18.437 259 HG3 PRO 437 1HG PRO 437 -1.787 7.696 -17.569 260 HD2 PRO 437 2HD PRO 437 0.797 6.462 -16.776 261 HD3 PRO 437 1HD PRO 437 -0.488 7.144 -15.761 262 H GLY 438 H GLY 438 0.606 3.920 -18.200 263 HA2 GLY 438 2HA GLY 438 -0.436 1.260 -18.957 264 HA3 GLY 438 1HA GLY 438 0.864 2.057 -19.827 265 H CYS 439 H CYS 439 0.677 2.150 -16.323 266 HA CYS 439 HA CYS 439 2.674 0.027 -16.149 267 HB2 CYS 439 2HB CYS 439 4.131 1.854 -16.346 268 HB3 CYS 439 1HB CYS 439 3.126 2.880 -15.339 269 H GLY 440 H GLY 440 2.820 -1.018 -14.297 270 HA2 GLY 440 2HA GLY 440 1.263 -0.199 -11.960 271 HA3 GLY 440 1HA GLY 440 0.807 -1.713 -12.728 272 H VAL 441 H VAL 441 2.793 -0.261 -10.433 273 HA VAL 441 HA VAL 441 4.358 -2.743 -10.172 274 HB VAL 441 HB VAL 441 5.323 0.102 -9.967 275 HG11 VAL 441 1HG1 VAL 441 6.691 -2.340 -8.850 276 HG12 VAL 441 2HG1 VAL 441 6.086 -0.964 -7.931 277 HG13 VAL 441 3HG1 VAL 441 7.440 -0.756 -9.042 278 HG21 VAL 441 3HG2 VAL 441 7.035 -0.647 -11.492 279 HG22 VAL 441 1HG2 VAL 441 5.447 -1.073 -12.132 280 HG23 VAL 441 2HG2 VAL 441 6.451 -2.308 -11.374 281 H ARG 442 H ARG 442 5.074 -3.209 -7.964 282 HA ARG 442 HA ARG 442 3.259 -2.021 -5.970 283 HB2 ARG 442 2HB ARG 442 3.861 -4.801 -6.653 284 HB3 ARG 442 1HB ARG 442 3.989 -4.467 -4.932 285 HG2 ARG 442 2HG ARG 442 1.648 -3.256 -5.461 286 HG3 ARG 442 1HG ARG 442 1.622 -4.533 -6.680 287 HD2 ARG 442 2HD ARG 442 2.509 -5.754 -4.324 288 HD3 ARG 442 1HD ARG 442 1.183 -4.703 -3.839 289 HE ARG 442 HE ARG 442 -0.171 -5.861 -5.549 290 HH11 ARG 442 1HH1 ARG 442 2.685 -7.456 -4.305 291 HH12 ARG 442 2HH1 ARG 442 2.105 -9.042 -4.681 292 HH21 ARG 442 1HH2 ARG 442 -0.920 -7.945 -6.036 293 HH22 ARG 442 2HH2 ARG 442 0.063 -9.321 -5.660 294 H LYS 443 H LYS 443 4.016 -1.549 -3.955 295 HA LYS 443 HA LYS 443 6.871 -1.944 -3.402 296 HB2 LYS 443 2HB LYS 443 6.854 0.290 -4.201 297 HB3 LYS 443 1HB LYS 443 5.359 0.667 -3.358 298 HG2 LYS 443 2HG LYS 443 6.457 0.722 -1.258 299 HG3 LYS 443 1HG LYS 443 7.929 0.023 -1.936 300 HD2 LYS 443 2HD LYS 443 8.442 2.287 -1.772 301 HD3 LYS 443 1HD LYS 443 7.947 2.110 -3.456 302 HE2 LYS 443 2HE LYS 443 5.726 2.935 -2.908 303 HE3 LYS 443 1HE LYS 443 6.176 3.061 -1.208 304 HZ1 LYS 443 3HZ LYS 443 7.026 4.724 -3.480 305 HZ2 LYS 443 1HZ LYS 443 8.039 4.579 -2.133 306 HZ3 LYS 443 2HZ LYS 443 6.476 5.198 -1.952 307 H HIS 444 H HIS 444 7.325 -2.382 -1.279 308 HA HIS 444 HA HIS 444 5.003 -2.515 0.527 309 HB2 HIS 444 2HB HIS 444 7.341 -4.305 0.081 310 HB3 HIS 444 1HB HIS 444 6.711 -4.182 1.720 311 HD1 HIS 444 1HD HIS 444 6.273 -6.842 1.033 312 HD2 HIS 444 2HD HIS 444 3.771 -3.959 -0.605 313 HE1 HIS 444 1HE HIS 444 4.224 -8.084 0.275 314 HE2 HIS 444 2HE HIS 444 2.777 -6.337 -0.817 315 H VAL 445 H VAL 445 5.170 -1.790 2.620 316 HA VAL 445 HA VAL 445 7.664 -0.417 3.374 317 HB VAL 445 HB VAL 445 4.902 0.682 3.921 318 HG11 VAL 445 1HG1 VAL 445 6.046 2.678 4.618 319 HG12 VAL 445 2HG1 VAL 445 7.604 2.001 4.141 320 HG13 VAL 445 3HG1 VAL 445 6.717 1.304 5.497 321 HG21 VAL 445 3HG2 VAL 445 5.521 2.420 2.216 322 HG22 VAL 445 1HG2 VAL 445 5.188 0.817 1.564 323 HG23 VAL 445 2HG2 VAL 445 6.853 1.370 1.732 324 H GLU 446 H GLU 446 8.409 -1.219 5.244 325 HA GLU 446 HA GLU 446 6.483 -2.018 7.304 326 HB2 GLU 446 2HB GLU 446 8.190 -3.774 5.770 327 HB3 GLU 446 1HB GLU 446 8.603 -3.856 7.476 328 HG2 GLU 446 2HG GLU 446 5.841 -4.236 6.353 329 HG3 GLU 446 1HG GLU 446 6.951 -5.535 6.780 330 H ARG 447 H ARG 447 7.389 -2.152 9.438 331 HA ARG 447 HA ARG 447 9.634 -0.301 9.788 332 HB2 ARG 447 2HB ARG 447 7.448 -1.231 11.643 333 HB3 ARG 447 1HB ARG 447 8.821 -0.282 12.195 334 HG2 ARG 447 2HG ARG 447 7.141 1.289 11.855 335 HG3 ARG 447 1HG ARG 447 8.133 1.407 10.400 336 HD2 ARG 447 2HD ARG 447 6.561 0.032 9.178 337 HD3 ARG 447 1HD ARG 447 5.599 -0.213 10.635 338 HE ARG 447 HE ARG 447 5.627 2.476 10.364 339 HH11 ARG 447 1HH1 ARG 447 4.837 -0.131 8.180 340 HH12 ARG 447 2HH1 ARG 447 3.686 0.801 7.284 341 HH21 ARG 447 1HH2 ARG 447 4.115 3.704 9.183 342 HH22 ARG 447 2HH2 ARG 447 3.276 2.978 7.851 343 H ALA 448 H ALA 448 11.215 -0.787 11.508 344 HA ALA 448 HA ALA 448 11.858 -3.644 11.482 345 HB1 ALA 448 1HB ALA 448 13.426 -1.509 10.906 346 HB2 ALA 448 2HB ALA 448 14.031 -3.085 11.416 347 HB3 ALA 448 3HB ALA 448 13.842 -1.790 12.595 348 H ALA 449 H ALA 449 11.583 -4.849 13.207 349 HA ALA 449 HA ALA 449 10.311 -4.204 15.510 350 HB1 ALA 449 1HB ALA 449 11.581 -6.460 14.537 351 HB2 ALA 449 2HB ALA 449 10.616 -6.351 16.009 352 HB3 ALA 449 3HB ALA 449 12.368 -6.161 16.086 353 H THR 450 H THR 450 13.862 -4.282 15.166 354 HA THR 450 HA THR 450 14.200 -3.086 17.782 355 HB THR 450 HB THR 450 16.693 -3.014 16.738 356 HG1 THR 450 1HG THR 450 16.965 -4.691 15.306 357 HG21 THR 450 3HG2 THR 450 15.262 -5.394 17.918 358 HG22 THR 450 1HG2 THR 450 16.135 -4.138 18.792 359 HG23 THR 450 2HG2 THR 450 17.013 -5.266 17.759 360 H ASP 451 H ASP 451 14.095 -2.056 14.472 361 HA ASP 451 HA ASP 451 14.767 0.679 15.339 362 HB2 ASP 451 2HB ASP 451 16.466 -0.530 13.812 363 HB3 ASP 451 1HB ASP 451 15.271 -0.296 12.538 364 HA PRO 452 HA PRO 452 10.501 0.887 13.683 365 HB2 PRO 452 2HB PRO 452 9.687 2.908 15.276 366 HB3 PRO 452 1HB PRO 452 9.742 1.230 15.830 367 HG2 PRO 452 2HG PRO 452 11.704 3.442 16.297 368 HG3 PRO 452 1HG PRO 452 11.085 2.237 17.440 369 HD2 PRO 452 2HD PRO 452 13.508 2.019 16.226 370 HD3 PRO 452 1HD PRO 452 12.541 0.614 16.712 371 H LYS 453 H LYS 453 13.135 3.062 13.750 372 HA LYS 453 HA LYS 453 11.721 5.065 12.149 373 HB2 LYS 453 2HB LYS 453 13.087 5.853 14.041 374 HB3 LYS 453 1HB LYS 453 14.511 5.122 13.315 375 HG2 LYS 453 2HG LYS 453 14.610 7.425 12.822 376 HG3 LYS 453 1HG LYS 453 14.130 6.619 11.327 377 HD2 LYS 453 2HD LYS 453 11.912 7.471 13.064 378 HD3 LYS 453 1HD LYS 453 12.872 8.780 12.374 379 HE2 LYS 453 2HE LYS 453 11.409 6.595 10.907 380 HE3 LYS 453 1HE LYS 453 11.076 8.326 10.872 381 HZ1 LYS 453 3HZ LYS 453 13.604 8.292 10.050 382 HZ2 LYS 453 1HZ LYS 453 12.283 8.215 8.995 383 HZ3 LYS 453 2HZ LYS 453 13.089 6.799 9.446 384 H ALA 454 H ALA 454 13.876 2.420 11.803 385 HA ALA 454 HA ALA 454 15.347 3.187 9.552 386 HB1 ALA 454 1HB ALA 454 15.555 0.727 9.137 387 HB2 ALA 454 2HB ALA 454 14.441 0.475 10.481 388 HB3 ALA 454 3HB ALA 454 16.001 1.246 10.763 389 H VAL 455 H VAL 455 12.533 1.022 9.583 390 HA VAL 455 HA VAL 455 10.801 0.747 8.131 391 HB VAL 455 HB VAL 455 11.731 3.275 6.765 392 HG11 VAL 455 1HG1 VAL 455 9.046 1.901 6.770 393 HG12 VAL 455 2HG1 VAL 455 10.204 1.890 5.439 394 HG13 VAL 455 3HG1 VAL 455 9.447 3.404 5.938 395 HG21 VAL 455 3HG2 VAL 455 11.118 3.298 9.314 396 HG22 VAL 455 1HG2 VAL 455 9.466 3.202 8.703 397 HG23 VAL 455 2HG2 VAL 455 10.503 4.549 8.234 398 H VAL 456 H VAL 456 10.682 -0.673 6.517 399 HA VAL 456 HA VAL 456 12.984 -0.903 4.705 400 HB VAL 456 HB VAL 456 12.562 -3.198 4.494 401 HG11 VAL 456 1HG1 VAL 456 13.179 -3.763 6.557 402 HG12 VAL 456 2HG1 VAL 456 11.595 -3.347 7.215 403 HG13 VAL 456 3HG1 VAL 456 12.833 -2.101 7.037 404 HG21 VAL 456 3HG2 VAL 456 10.258 -3.270 3.961 405 HG22 VAL 456 1HG2 VAL 456 9.798 -2.613 5.532 406 HG23 VAL 456 2HG2 VAL 456 10.447 -4.248 5.416 407 H THR 457 H THR 457 12.722 -0.967 2.496 408 HA THR 457 HA THR 457 9.991 -0.608 1.463 409 HB THR 457 HB THR 457 12.168 0.844 0.060 410 HG1 THR 457 1HG THR 457 11.126 1.582 2.597 411 HG21 THR 457 3HG2 THR 457 9.694 0.719 -0.586 412 HG22 THR 457 1HG2 THR 457 10.437 2.319 -0.546 413 HG23 THR 457 2HG2 THR 457 9.407 1.792 0.787 414 H THR 458 H THR 458 9.568 -2.273 0.184 415 HA THR 458 HA THR 458 11.744 -3.406 -1.445 416 HB THR 458 HB THR 458 9.165 -4.859 -1.037 417 HG1 THR 458 1HG THR 458 11.227 -4.532 0.888 418 HG21 THR 458 3HG2 THR 458 12.001 -5.875 -1.101 419 HG22 THR 458 1HG2 THR 458 11.024 -5.643 -2.552 420 HG23 THR 458 2HG2 THR 458 10.514 -6.798 -1.321 421 H TYR 459 H TYR 459 11.647 -3.195 -3.587 422 HA TYR 459 HA TYR 459 9.185 -2.125 -4.767 423 HB2 TYR 459 2HB TYR 459 12.071 -2.067 -5.605 424 HB3 TYR 459 1HB TYR 459 10.786 -1.720 -6.758 425 HD1 TYR 459 2HD TYR 459 9.042 0.090 -5.949 426 HD2 TYR 459 1HD TYR 459 12.985 -0.316 -4.407 427 HE1 TYR 459 2HE TYR 459 8.972 2.422 -5.177 428 HE2 TYR 459 1HE TYR 459 12.927 2.015 -3.627 429 HH TYR 459 HH TYR 459 11.759 4.082 -4.087 430 H GLU 460 H GLU 460 7.872 -3.560 -5.663 431 HA GLU 460 HA GLU 460 9.032 -5.954 -6.921 432 HB2 GLU 460 2HB GLU 460 6.180 -5.553 -6.007 433 HB3 GLU 460 1HB GLU 460 6.915 -7.055 -6.553 434 HG2 GLU 460 2HG GLU 460 7.928 -7.443 -4.575 435 HG3 GLU 460 1HG GLU 460 8.207 -5.731 -4.257 436 H GLY 461 H GLY 461 9.336 -5.494 -9.026 437 HA2 GLY 461 2HA GLY 461 8.267 -5.572 -11.191 438 HA3 GLY 461 1HA GLY 461 6.979 -4.572 -10.538 439 H LYS 462 H LYS 462 8.763 -4.238 -12.903 440 HA LYS 462 HA LYS 462 10.283 -1.846 -12.195 441 HB2 LYS 462 2HB LYS 462 10.303 -3.785 -14.413 442 HB3 LYS 462 1HB LYS 462 10.594 -2.118 -14.890 443 HG2 LYS 462 2HG LYS 462 12.541 -1.963 -13.632 444 HG3 LYS 462 1HG LYS 462 12.115 -3.352 -12.628 445 HD2 LYS 462 2HD LYS 462 12.488 -4.859 -14.472 446 HD3 LYS 462 1HD LYS 462 12.755 -3.506 -15.572 447 HE2 LYS 462 2HE LYS 462 14.739 -2.860 -14.305 448 HE3 LYS 462 1HE LYS 462 14.465 -4.191 -13.183 449 HZ1 LYS 462 3HZ LYS 462 15.399 -5.635 -14.577 450 HZ2 LYS 462 1HZ LYS 462 15.996 -4.296 -15.421 451 HZ3 LYS 462 2HZ LYS 462 14.562 -5.040 -15.923 452 H HIS 463 H HIS 463 10.120 0.042 -13.719 453 HA HIS 463 HA HIS 463 7.285 0.552 -14.330 454 HB2 HIS 463 2HB HIS 463 9.439 2.595 -13.763 455 HB3 HIS 463 1HB HIS 463 7.712 2.895 -13.927 456 HD2 HIS 463 2HD HIS 463 10.178 1.257 -11.339 457 HE1 HIS 463 1HE HIS 463 6.491 2.099 -9.413 458 HE2 HIS 463 2HE HIS 463 8.840 1.234 -9.125 459 H ASN 464 H ASN 464 6.702 0.992 -16.351 460 HA ASN 464 HA ASN 464 8.822 1.279 -18.365 461 HB2 ASN 464 2HB ASN 464 5.967 0.324 -18.516 462 HB3 ASN 464 1HB ASN 464 6.864 0.774 -19.963 463 HD21 ASN 464 1HD2 ASN 464 5.785 -1.816 -18.931 464 HD22 ASN 464 2HD2 ASN 464 7.127 -2.903 -18.992 465 H HIS 465 H HIS 465 8.430 3.547 -16.944 466 HA HIS 465 HA HIS 465 7.431 5.347 -18.978 467 HB2 HIS 465 2HB HIS 465 5.934 6.563 -17.483 468 HB3 HIS 465 1HB HIS 465 5.427 4.880 -17.614 469 HD1 HIS 465 1HD HIS 465 7.571 6.959 -15.241 470 HD2 HIS 465 2HD HIS 465 4.888 3.793 -15.207 471 HE1 HIS 465 1HE HIS 465 7.273 6.356 -12.817 472 H ASP 466 H ASP 466 8.190 7.493 -18.745 473 HA ASP 466 HA ASP 466 10.731 7.692 -17.471 474 HB2 ASP 466 2HB ASP 466 9.661 8.933 -19.596 475 HB3 ASP 466 1HB ASP 466 9.333 10.158 -18.373 476 H LEU 467 H LEU 467 11.174 9.797 -16.133 477 HA LEU 467 HA LEU 467 9.755 9.518 -13.698 478 HB2 LEU 467 2HB LEU 467 12.139 10.758 -14.574 479 HB3 LEU 467 1HB LEU 467 11.180 12.003 -13.797 480 HG LEU 467 HG LEU 467 12.723 10.933 -12.225 481 HD11 LEU 467 1HD1 LEU 467 10.143 9.908 -11.249 482 HD12 LEU 467 2HD1 LEU 467 10.145 11.591 -11.775 483 HD13 LEU 467 3HD1 LEU 467 11.261 11.058 -10.517 484 HD21 LEU 467 3HD2 LEU 467 13.109 8.762 -12.725 485 HD22 LEU 467 1HD2 LEU 467 11.471 8.495 -13.320 486 HD23 LEU 467 2HD2 LEU 467 11.788 8.502 -11.585 487 HA PRO 468 HA PRO 468 6.319 12.151 -14.982 488 HB2 PRO 468 2HB PRO 468 5.491 11.707 -12.175 489 HB3 PRO 468 1HB PRO 468 4.603 11.403 -13.672 490 HG2 PRO 468 2HG PRO 468 5.593 9.389 -12.223 491 HG3 PRO 468 1HG PRO 468 5.593 9.336 -13.996 492 HD2 PRO 468 2HD PRO 468 7.846 9.944 -12.118 493 HD3 PRO 468 1HD PRO 468 7.851 8.977 -13.607 494 H ALA 469 H ALA 469 7.911 13.927 -15.004 495 HA ALA 469 HA ALA 469 8.184 15.455 -12.545 496 HB1 ALA 469 1HB ALA 469 10.129 15.238 -13.988 497 HB2 ALA 469 2HB ALA 469 9.629 16.926 -13.878 498 HB3 ALA 469 3HB ALA 469 9.245 15.985 -15.318 499 H5' DC 3 H5' DC 3 -6.741 12.210 -11.071 500 H5'' DC 3 H5" DC 3 -6.212 10.643 -10.428 501 H4' DC 3 H4' DC 3 -5.319 12.830 -9.385 502 H3' DC 3 H3' DC 3 -5.314 10.346 -8.370 503 H2' DC 3 H2' DC 3 -7.456 10.373 -7.297 504 H2'' DC 3 H2" DC 3 -6.431 10.920 -5.978 505 H1' DC 3 H1' DC 3 -6.957 13.222 -6.336 506 H41 DC 3 1H4 DC 3 -13.230 13.375 -5.544 507 H42 DC 3 2H4 DC 3 -13.463 11.981 -6.576 508 H5 DC 3 5H DC 3 -11.638 10.860 -7.707 509 H6 DC 3 6H DC 3 -9.227 10.851 -8.076 510 H5' DC 4 H5' DC 4 -3.306 12.390 -4.604 511 H5'' DC 4 H5" DC 4 -2.028 11.248 -4.139 512 H4' DC 4 H4' DC 4 -3.443 11.437 -2.277 513 H3' DC 4 H3' DC 4 -3.686 8.873 -3.745 514 H2' DC 4 H2' DC 4 -5.796 8.371 -2.895 515 H2'' DC 4 H2" DC 4 -5.321 8.906 -1.289 516 H1' DC 4 H1' DC 4 -6.179 11.016 -1.554 517 H41 DC 4 1H4 DC 4 -11.852 10.639 -4.321 518 H42 DC 4 2H4 DC 4 -11.256 9.543 -5.549 519 H5 DC 4 5H DC 4 -8.943 8.840 -5.676 520 H6 DC 4 6H DC 4 -6.737 9.047 -4.655 521 H5' DT 5 H5' DT 5 -4.199 10.228 -0.090 522 H5'' DT 5 H5" DT 5 -3.112 9.734 1.226 523 H4' DT 5 H4' DT 5 -5.004 10.620 2.273 524 H3' DT 5 H3' DT 5 -4.336 8.096 2.927 525 H2' DT 5 H2' DT 5 -5.834 6.928 1.469 526 H2'' DT 5 H2" DT 5 -6.833 7.059 2.909 527 H1' DT 5 H1' DT 5 -8.020 8.963 2.084 528 H3 DT 5 3H DT 5 -10.747 7.768 -1.243 529 H71 DT 5 1H7 DT 5 -5.780 6.263 -2.670 530 H72 DT 5 2H7 DT 5 -6.997 4.966 -2.687 531 H73 DT 5 3H7 DT 5 -7.130 6.325 -3.826 532 H6 DT 5 6H DT 5 -6.065 7.202 -0.524 533 H5' DT 6 H5' DT 6 -7.442 8.455 6.047 534 H5'' DT 6 H5" DT 6 -6.729 8.402 7.673 535 H4' DT 6 H4' DT 6 -7.616 6.414 7.980 536 H3' DT 6 H3' DT 6 -5.779 5.613 5.748 537 H2' DT 6 H2' DT 6 -6.968 3.565 5.477 538 H2'' DT 6 H2" DT 6 -7.669 3.647 7.086 539 H1' DT 6 H1' DT 6 -9.545 4.582 6.111 540 H3 DT 6 3H DT 6 -10.987 5.082 1.877 541 H71 DT 6 1H7 DT 6 -5.628 4.971 1.715 542 H72 DT 6 2H7 DT 6 -6.341 3.509 0.991 543 H73 DT 6 3H7 DT 6 -6.646 5.103 0.261 544 H6 DT 6 6H DT 6 -6.673 4.711 3.878 545 H5' DT 7 H5' DT 7 -6.008 2.801 9.884 546 H5'' DT 7 H5" DT 7 -5.302 1.229 9.453 547 H4' DT 7 H4' DT 7 -7.934 1.730 10.078 548 H3' DT 7 H3' DT 7 -6.536 -0.541 9.790 549 H2' DT 7 H2' DT 7 -6.487 -0.653 7.397 550 H2'' DT 7 H2" DT 7 -7.939 -1.585 7.730 551 H1' DT 7 H1' DT 7 -9.396 0.250 7.275 552 H3 DT 7 3H DT 7 -9.371 0.944 2.879 553 H71 DT 7 1H7 DT 7 -4.563 2.458 4.428 554 H72 DT 7 2H7 DT 7 -4.943 2.050 2.739 555 H73 DT 7 3H7 DT 7 -4.345 0.791 3.844 556 H6 DT 7 6H DT 7 -5.947 1.093 6.193 557 H5' DG 8 H5' DG 8 -11.425 -1.131 9.639 558 H5'' DG 8 H5" DG 8 -11.477 -2.266 11.004 559 H4' DG 8 H4' DG 8 -13.356 -2.644 9.552 560 H3' DG 8 H3' DG 8 -11.959 -4.699 10.484 561 H2' DG 8 H2' DG 8 -10.325 -4.890 8.740 562 H2'' DG 8 H2" DG 8 -11.536 -6.026 8.166 563 H1' DG 8 H1' DG 8 -12.441 -4.495 6.594 564 H8 DG 8 8H DG 8 -8.924 -3.659 7.884 565 H1 DG 8 1H DG 8 -9.818 -2.862 1.583 566 H21 DG 8 1H2 DG 8 -11.922 -3.187 1.062 567 H22 DG 8 2H2 DG 8 -13.128 -3.599 2.261 568 H5' DA 9 H5' DA 9 -15.415 -5.560 7.365 569 H5'' DA 9 H5" DA 9 -16.362 -6.825 8.177 570 H4' DA 9 H4' DA 9 -16.733 -6.893 5.793 571 H3' DA 9 H3' DA 9 -16.354 -9.135 7.173 572 H2' DA 9 H2' DA 9 -13.967 -9.298 6.979 573 H2'' DA 9 H2" DA 9 -14.475 -10.289 5.620 574 H1' DA 9 H1' DA 9 -14.111 -8.550 4.030 575 H8 DA 9 8H DA 9 -12.280 -8.159 7.390 576 H61 DA 9 2H6 DA 9 -7.906 -6.997 5.607 577 H62 DA 9 1H6 DA 9 -7.317 -6.690 3.988 578 H2 DA 9 2H DA 9 -10.815 -7.153 1.222 579 H5' DC 10 H5' DC 10 -17.623 -10.010 2.205 580 H5'' DC 10 H5" DC 10 -18.230 -11.650 2.517 581 H4' DC 10 H4' DC 10 -17.141 -11.152 0.256 582 H3' DC 10 H3' DC 10 -17.446 -13.531 1.465 583 H2' DC 10 H2' DC 10 -15.393 -13.631 2.682 584 H2'' DC 10 H2" DC 10 -14.885 -14.386 1.176 585 H1' DC 10 H1' DC 10 -13.865 -12.410 0.351 586 H41 DC 10 1H4 DC 10 -9.615 -10.952 4.818 587 H42 DC 10 2H4 DC 10 -10.792 -11.177 6.092 588 H5 DC 10 5H DC 10 -13.095 -11.765 5.675 589 H6 DC 10 6H DC 10 -14.751 -12.249 3.950 590 H5' DC 11 H5' DC 11 -15.190 -14.650 -2.900 591 H5'' DC 11 H5" DC 11 -16.154 -16.093 -3.282 592 H4' DC 11 H4' DC 11 -13.810 -16.469 -3.736 593 H3' DC 11 H3' DC 11 -15.351 -18.276 -2.370 594 H2' DC 11 H2' DC 11 -14.515 -17.851 -0.177 595 H2'' DC 11 H2" DC 11 -13.343 -19.048 -0.711 596 H1' DC 11 H1' DC 11 -11.752 -17.373 -1.396 597 H41 DC 11 1H4 DC 11 -10.329 -14.465 4.059 598 H42 DC 11 2H4 DC 11 -11.967 -14.657 4.639 599 H5 DC 11 5H DC 11 -13.740 -15.621 3.309 600 H6 DC 11 6H DC 11 -14.309 -16.593 1.147 601 H5' DA 12 H5' DA 12 -11.054 -19.855 -3.796 602 H5'' DA 12 H5" DA 12 -11.442 -21.395 -4.594 603 H4' DA 12 H4' DA 12 -9.277 -21.592 -3.652 604 H3' DA 12 H3' DA 12 -11.102 -23.488 -3.111 605 H2' DA 12 H2' DA 12 -11.889 -22.662 -1.010 606 H2'' DA 12 H2" DA 12 -10.600 -23.728 -0.465 607 H1' DA 12 H1' DA 12 -9.037 -21.942 -0.204 608 H8 DA 12 8H DA 12 -12.775 -21.164 0.024 609 H61 DA 12 2H6 DA 12 -12.587 -18.084 3.787 610 H62 DA 12 1H6 DA 12 -11.262 -17.353 4.667 611 H2 DA 12 2H DA 12 -7.474 -18.843 2.800 612 H5' DT 21 H5' DT 21 -1.537 -17.614 8.811 613 H5'' DT 21 H5" DT 21 -3.282 -17.510 9.112 614 H4' DT 21 H4' DT 21 -1.882 -17.445 6.443 615 H3' DT 21 H3' DT 21 -3.112 -15.295 8.117 616 H2' DT 21 H2' DT 21 -4.274 -14.400 6.274 617 H2'' DT 21 H2" DT 21 -3.053 -14.940 5.132 618 H1' DT 21 H1' DT 21 -4.244 -16.824 4.648 619 H3 DT 21 3H DT 21 -8.691 -17.448 4.677 620 H71 DT 21 1H7 DT 21 -9.341 -14.615 8.185 621 H72 DT 21 2H7 DT 21 -8.026 -13.451 7.901 622 H73 DT 21 3H7 DT 21 -7.809 -14.769 9.078 623 H6 DT 21 6H DT 21 -5.703 -14.998 7.469 624 H5' DG 22 H5' DG 22 -1.001 -15.654 3.892 625 H5'' DG 22 H5" DG 22 0.255 -14.418 4.122 626 H4' DG 22 H4' DG 22 -0.172 -14.361 1.848 627 H3' DG 22 H3' DG 22 -1.376 -12.108 3.317 628 H2' DG 22 H2' DG 22 -2.853 -11.445 1.576 629 H2'' DG 22 H2" DG 22 -1.951 -12.307 0.343 630 H1' DG 22 H1' DG 22 -3.646 -13.888 0.652 631 H8 DG 22 8H DG 22 -3.095 -12.533 4.238 632 H1 DG 22 1H DG 22 -9.008 -14.599 2.853 633 H21 DG 22 1H2 DG 22 -9.084 -15.392 0.847 634 H22 DG 22 2H2 DG 22 -7.714 -15.456 -0.225 635 H5' DG 23 H5' DG 23 -0.494 -11.375 -1.001 636 H5'' DG 23 H5" DG 23 -0.321 -9.639 -1.330 637 H4' DG 23 H4' DG 23 -2.220 -11.002 -2.451 638 H3' DG 23 H3' DG 23 -1.966 -8.312 -2.087 639 H2' DG 23 H2' DG 23 -3.267 -8.093 -0.098 640 H2'' DG 23 H2" DG 23 -4.538 -7.935 -1.301 641 H1' DG 23 H1' DG 23 -5.171 -10.244 -1.140 642 H8 DG 23 8H DG 23 -3.016 -9.517 1.997 643 H1 DG 23 1H DG 23 -9.176 -10.921 3.080 644 H21 DG 23 1H2 DG 23 -10.210 -11.268 1.235 645 H22 DG 23 2H2 DG 23 -9.484 -11.175 -0.339 646 H5' DT 24 H5' DT 24 -5.622 -8.744 -4.536 647 H5'' DT 24 H5" DT 24 -5.586 -8.016 -6.155 648 H4' DT 24 H4' DT 24 -7.356 -6.871 -5.428 649 H3' DT 24 H3' DT 24 -5.063 -5.323 -4.295 650 H2' DT 24 H2' DT 24 -6.485 -4.096 -2.864 651 H2'' DT 24 H2" DT 24 -7.870 -4.283 -3.930 652 H1' DT 24 H1' DT 24 -8.608 -6.060 -2.703 653 H3 DT 24 3H DT 24 -8.120 -6.560 1.696 654 H71 DT 24 1H7 DT 24 -3.189 -5.868 -0.259 655 H72 DT 24 2H7 DT 24 -3.532 -6.098 1.472 656 H73 DT 24 3H7 DT 24 -3.684 -4.482 0.741 657 H6 DT 24 6H DT 24 -5.050 -5.565 -1.813 658 H5' DC 25 H5' DC 25 -8.988 -4.675 -5.533 659 H5'' DC 25 H5" DC 25 -8.888 -3.809 -7.081 660 H4' DC 25 H4' DC 25 -11.055 -3.421 -6.525 661 H3' DC 25 H3' DC 25 -9.383 -1.144 -5.875 662 H2' DC 25 H2' DC 25 -10.611 -0.225 -4.098 663 H2'' DC 25 H2" DC 25 -12.133 -0.865 -4.700 664 H1' DC 25 H1' DC 25 -11.930 -2.440 -3.049 665 H41 DC 25 1H4 DC 25 -7.192 -2.286 1.118 666 H42 DC 25 2H4 DC 25 -6.025 -1.869 -0.115 667 H5 DC 25 5H DC 25 -6.603 -1.640 -2.455 668 H6 DC 25 6H DC 25 -8.415 -1.763 -4.079 669 H5' DA 26 H5' DA 26 -13.975 -1.422 -6.027 670 H5'' DA 26 H5" DA 26 -14.596 -0.012 -6.910 671 H4' DA 26 H4' DA 26 -15.896 -0.732 -4.874 672 H3' DA 26 H3' DA 26 -15.773 1.736 -5.874 673 H2' DA 26 H2' DA 26 -13.819 2.499 -4.699 674 H2'' DA 26 H2" DA 26 -15.094 3.073 -3.637 675 H1' DA 26 H1' DA 26 -14.861 1.222 -2.133 676 H8 DA 26 8H DA 26 -11.828 1.885 -4.403 677 H61 DA 26 2H6 DA 26 -8.411 1.892 -0.944 678 H62 DA 26 1H6 DA 26 -8.448 1.579 0.777 679 H2 DA 26 2H DA 26 -12.696 0.597 1.824 680 H5' DA 27 H5' DA 27 -18.609 1.952 -1.611 681 H5'' DA 27 H5" DA 27 -19.969 2.577 -2.568 682 H4' DA 27 H4' DA 27 -20.019 3.527 -0.362 683 H3' DA 27 H3' DA 27 -20.397 5.074 -2.490 684 H2' DA 27 H2' DA 27 -18.148 5.768 -2.912 685 H2'' DA 27 H2" DA 27 -18.670 7.068 -1.850 686 H1' DA 27 H1' DA 27 -17.574 6.172 0.038 687 H8 DA 27 8H DA 27 -16.342 5.275 -3.422 688 H61 DA 27 2H6 DA 27 -11.601 4.878 -2.420 689 H62 DA 27 1H6 DA 27 -10.689 4.869 -0.927 690 H2 DA 27 2H DA 27 -13.651 5.323 2.407 691 H5' DA 28 H5' DA 28 -19.399 7.399 1.522 692 H5'' DA 28 H5" DA 28 -20.872 8.375 1.709 693 H4' DA 28 H4' DA 28 -19.243 9.648 2.738 694 H3' DA 28 H3' DA 28 -20.423 10.834 0.635 695 H2' DA 28 H2' DA 28 -18.800 10.363 -1.053 696 H2'' DA 28 H2" DA 28 -18.174 11.894 -0.455 697 H1' DA 28 H1' DA 28 -16.527 10.859 0.909 698 H8 DA 28 8H DA 28 -17.891 8.887 -2.071 699 H61 DA 28 2H6 DA 28 -13.674 7.051 -3.644 700 H62 DA 28 1H6 DA 28 -12.047 7.063 -3.000 701 H2 DA 28 2H DA 28 -12.203 9.314 0.875 702 H5' DG 29 H5' DG 29 -17.817 14.176 3.517 703 H5'' DG 29 H5" DG 29 -18.511 15.690 2.901 704 H4' DG 29 H4' DG 29 -16.008 15.583 3.534 705 H3' DG 29 H3' DG 29 -17.327 17.331 1.908 706 H2' DG 29 H2' DG 29 -16.852 16.287 -0.187 707 H2'' DG 29 H2" DG 29 -15.441 17.325 -0.041 708 H1' DG 29 H1' DG 29 -14.073 15.565 0.864 709 H8 DG 29 8H DG 29 -17.107 14.396 -1.223 710 H1 DG 29 1H DG 29 -11.469 11.746 -2.746 711 H21 DG 29 1H2 DG 29 -9.911 12.406 -1.350 712 H22 DG 29 2H2 DG 29 -10.244 13.506 -0.031 713 H5' DG 30 H5' DG 30 -12.506 18.932 2.869 714 H5'' DG 30 H5" DG 30 -13.085 20.595 3.109 715 H4' DG 30 H4' DG 30 -10.873 20.584 2.137 716 H3' DG 30 H3' DG 30 -12.788 22.231 1.239 717 H2' DG 30 H2' DG 30 -13.639 20.890 -0.549 718 H2'' DG 30 H2" DG 30 -12.421 21.822 -1.410 719 H1' DG 30 H1' DG 30 -10.812 20.068 -1.333 720 H8 DG 30 8H DG 30 -14.500 19.103 -0.970 721 H1 DG 30 1H DG 30 -10.961 15.123 -4.545 722 H21 DG 30 1H2 DG 30 -8.843 15.678 -4.436 723 H22 DG 30 2H2 DG 30 -8.279 17.032 -3.482 Start of MODEL 16 1 H LEU 407 H LEU 407 6.028 6.220 -1.195 2 HA LEU 407 HA LEU 407 5.367 7.899 0.113 3 HB2 LEU 407 2HB LEU 407 5.173 5.725 2.060 4 HB3 LEU 407 1HB LEU 407 5.746 7.220 2.770 5 HG LEU 407 HG LEU 407 3.183 6.650 2.702 6 HD11 LEU 407 2HD1 LEU 407 4.409 9.337 2.141 7 HD12 LEU 407 3HD1 LEU 407 3.976 8.643 3.703 8 HD13 LEU 407 1HD1 LEU 407 2.712 9.111 2.565 9 HD21 LEU 407 1HD2 LEU 407 3.294 6.382 0.170 10 HD22 LEU 407 2HD2 LEU 407 3.411 8.142 0.103 11 HD23 LEU 407 3HD2 LEU 407 1.990 7.380 0.816 12 H LEU 408 H LEU 408 7.883 7.187 -0.930 13 HA LEU 408 HA LEU 408 9.719 8.343 1.065 14 HB2 LEU 408 2HB LEU 408 9.961 5.989 -0.420 15 HB3 LEU 408 1HB LEU 408 11.032 7.126 -1.216 16 HG LEU 408 HG LEU 408 11.824 7.550 1.294 17 HD11 LEU 408 1HD1 LEU 408 11.056 4.642 1.346 18 HD12 LEU 408 2HD1 LEU 408 10.120 5.908 2.138 19 HD13 LEU 408 3HD1 LEU 408 11.782 5.596 2.640 20 HD21 LEU 408 3HD2 LEU 408 13.287 6.911 -0.515 21 HD22 LEU 408 1HD2 LEU 408 12.677 5.257 -0.467 22 HD23 LEU 408 2HD2 LEU 408 13.611 5.892 0.887 23 H ASP 409 H ASP 409 7.958 9.096 -1.608 24 HA ASP 409 HA ASP 409 7.927 10.883 -3.012 25 HB2 ASP 409 2HB ASP 409 9.088 11.898 -0.812 26 HB3 ASP 409 1HB ASP 409 10.427 12.079 -1.942 27 H ASP 410 H ASP 410 9.249 8.499 -3.764 28 HA ASP 410 HA ASP 410 11.758 8.897 -4.949 29 HB2 ASP 410 2HB ASP 410 11.039 6.968 -6.453 30 HB3 ASP 410 1HB ASP 410 11.010 6.658 -4.720 31 H GLY 411 H GLY 411 8.650 10.042 -5.834 32 HA2 GLY 411 2HA GLY 411 8.680 11.917 -7.432 33 HA3 GLY 411 1HA GLY 411 9.731 10.931 -8.435 34 H TYR 412 H TYR 412 7.452 8.929 -7.064 35 HA TYR 412 HA TYR 412 5.743 9.136 -9.456 36 HB2 TYR 412 2HB TYR 412 6.369 6.692 -7.782 37 HB3 TYR 412 1HB TYR 412 5.331 6.720 -9.203 38 HD1 TYR 412 1HD TYR 412 7.135 8.643 -10.817 39 HD2 TYR 412 2HD TYR 412 7.936 5.093 -8.611 40 HE1 TYR 412 1HE TYR 412 9.086 8.202 -12.247 41 HE2 TYR 412 2HE TYR 412 9.889 4.643 -10.034 42 HH TYR 412 HH TYR 412 10.505 6.395 -12.930 43 H ARG 413 H ARG 413 3.618 7.681 -8.857 44 HA ARG 413 HA ARG 413 2.492 8.952 -6.444 45 HB2 ARG 413 2HB ARG 413 0.927 8.091 -8.881 46 HB3 ARG 413 1HB ARG 413 0.369 9.082 -7.540 47 HG2 ARG 413 2HG ARG 413 1.425 10.962 -8.304 48 HG3 ARG 413 1HG ARG 413 2.662 10.049 -9.169 49 HD2 ARG 413 2HD ARG 413 0.994 11.223 -10.628 50 HD3 ARG 413 1HD ARG 413 1.144 9.489 -10.912 51 HE ARG 413 HE ARG 413 -0.908 9.774 -9.102 52 HH11 ARG 413 1HH1 ARG 413 -0.230 10.870 -12.345 53 HH12 ARG 413 2HH1 ARG 413 -1.897 10.923 -12.810 54 HH21 ARG 413 1HH2 ARG 413 -3.099 9.843 -9.710 55 HH22 ARG 413 2HH2 ARG 413 -3.528 10.340 -11.312 56 H TRP 414 H TRP 414 2.022 7.572 -4.870 57 HA TRP 414 HA TRP 414 1.380 4.791 -5.598 58 HB2 TRP 414 2HB TRP 414 2.737 5.762 -3.078 59 HB3 TRP 414 1HB TRP 414 2.405 4.087 -3.505 60 HD1 TRP 414 HD TRP 414 4.682 7.021 -4.486 61 HE1 TRP 414 1HE TRP 414 6.709 6.080 -5.767 62 HE3 TRP 414 3HE TRP 414 3.198 2.149 -4.878 63 HZ2 TRP 414 2HZ TRP 414 7.559 3.596 -6.813 64 HZ3 TRP 414 3HZ TRP 414 4.670 0.553 -6.041 65 HH2 TRP 414 HH TRP 414 6.807 1.265 -6.983 66 H ARG 415 H ARG 415 -0.345 3.810 -4.674 67 HA ARG 415 HA ARG 415 -2.080 5.513 -3.021 68 HB2 ARG 415 2HB ARG 415 -3.020 4.862 -5.193 69 HB3 ARG 415 1HB ARG 415 -2.796 3.166 -4.789 70 HG2 ARG 415 2HG ARG 415 -4.362 4.695 -2.837 71 HG3 ARG 415 1HG ARG 415 -5.096 4.553 -4.437 72 HD2 ARG 415 2HD ARG 415 -3.934 2.091 -3.283 73 HD3 ARG 415 1HD ARG 415 -5.389 2.712 -2.505 74 HE ARG 415 HE ARG 415 -6.118 2.727 -5.073 75 HH11 ARG 415 1HH1 ARG 415 -4.543 0.263 -3.166 76 HH12 ARG 415 2HH1 ARG 415 -5.217 -1.046 -4.076 77 HH21 ARG 415 1HH2 ARG 415 -7.004 1.004 -6.267 78 HH22 ARG 415 2HH2 ARG 415 -6.612 -0.627 -5.835 79 H LYS 416 H LYS 416 -1.832 5.041 -0.938 80 HA LYS 416 HA LYS 416 -0.909 2.618 0.136 81 HB2 LYS 416 2HB LYS 416 -0.787 4.673 1.406 82 HB3 LYS 416 1HB LYS 416 -2.533 4.857 1.363 83 HG2 LYS 416 2HG LYS 416 -2.639 2.679 2.672 84 HG3 LYS 416 1HG LYS 416 -0.904 2.884 2.931 85 HD2 LYS 416 2HD LYS 416 -3.111 4.762 3.763 86 HD3 LYS 416 1HD LYS 416 -2.085 3.791 4.819 87 HE2 LYS 416 2HE LYS 416 -0.791 5.604 4.976 88 HE3 LYS 416 1HE LYS 416 -0.267 5.228 3.335 89 HZ1 LYS 416 3HZ LYS 416 -1.307 7.010 2.540 90 HZ2 LYS 416 1HZ LYS 416 -1.470 7.535 4.141 91 HZ3 LYS 416 2HZ LYS 416 -2.730 6.689 3.395 92 H TYR 417 H TYR 417 -1.984 0.827 1.007 93 HA TYR 417 HA TYR 417 -4.812 0.761 1.277 94 HB2 TYR 417 2HB TYR 417 -5.496 -0.540 -0.552 95 HB3 TYR 417 1HB TYR 417 -4.458 0.701 -1.244 96 HD1 TYR 417 1HD TYR 417 -4.762 -2.869 -0.451 97 HD2 TYR 417 2HD TYR 417 -2.331 0.130 -2.229 98 HE1 TYR 417 1HE TYR 417 -3.397 -4.616 -1.513 99 HE2 TYR 417 2HE TYR 417 -0.958 -1.605 -3.295 100 HH TYR 417 HH TYR 417 -1.212 -4.927 -2.458 101 H GLY 418 H GLY 418 -5.529 -0.826 2.445 102 HA2 GLY 418 2HA GLY 418 -5.626 -2.759 3.699 103 HA3 GLY 418 1HA GLY 418 -4.398 -3.419 2.639 104 H GLN 419 H GLN 419 -4.808 -1.257 5.454 105 HA GLN 419 HA GLN 419 -2.032 -1.510 6.171 106 HB2 GLN 419 2HB GLN 419 -3.496 0.485 6.728 107 HB3 GLN 419 1HB GLN 419 -4.277 -0.527 7.935 108 HG2 GLN 419 2HG GLN 419 -1.340 -0.438 8.058 109 HG3 GLN 419 1HG GLN 419 -2.172 1.069 8.432 110 HE21 GLN 419 1HE2 GLN 419 -3.470 1.193 10.248 111 HE22 GLN 419 2HE2 GLN 419 -3.428 0.005 11.501 112 H LYS 420 H LYS 420 -1.166 -3.173 7.209 113 HA LYS 420 HA LYS 420 -2.790 -4.713 9.096 114 HB2 LYS 420 2HB LYS 420 -2.963 -5.870 6.930 115 HB3 LYS 420 1HB LYS 420 -1.210 -5.956 6.836 116 HG2 LYS 420 2HG LYS 420 -1.153 -7.796 8.068 117 HG3 LYS 420 1HG LYS 420 -2.177 -7.079 9.313 118 HD2 LYS 420 2HD LYS 420 -3.218 -9.073 8.365 119 HD3 LYS 420 1HD LYS 420 -4.164 -7.630 7.992 120 HE2 LYS 420 2HE LYS 420 -4.145 -8.550 5.918 121 HE3 LYS 420 1HE LYS 420 -2.613 -7.683 5.820 122 HZ1 LYS 420 3HZ LYS 420 -1.959 -9.743 5.155 123 HZ2 LYS 420 1HZ LYS 420 -3.109 -10.554 6.096 124 HZ3 LYS 420 2HZ LYS 420 -1.719 -9.919 6.819 125 H VAL 421 H VAL 421 -1.594 -5.782 10.710 126 HA VAL 421 HA VAL 421 1.126 -4.756 11.027 127 HB VAL 421 HB VAL 421 -0.423 -4.418 12.896 128 HG11 VAL 421 1HG1 VAL 421 -1.927 -6.208 12.775 129 HG12 VAL 421 2HG1 VAL 421 -1.015 -6.493 14.257 130 HG13 VAL 421 3HG1 VAL 421 -0.637 -7.411 12.799 131 HG21 VAL 421 3HG2 VAL 421 1.964 -4.647 13.357 132 HG22 VAL 421 1HG2 VAL 421 1.767 -6.391 13.538 133 HG23 VAL 421 2HG2 VAL 421 0.994 -5.293 14.680 134 H VAL 422 H VAL 422 2.887 -6.104 11.528 135 HA VAL 422 HA VAL 422 2.483 -8.960 10.916 136 HB VAL 422 HB VAL 422 4.804 -8.899 9.909 137 HG11 VAL 422 1HG1 VAL 422 2.943 -9.137 8.457 138 HG12 VAL 422 2HG1 VAL 422 3.971 -7.887 7.754 139 HG13 VAL 422 3HG1 VAL 422 2.505 -7.436 8.627 140 HG21 VAL 422 3HG2 VAL 422 4.310 -5.937 9.703 141 HG22 VAL 422 1HG2 VAL 422 5.754 -6.837 9.237 142 HG23 VAL 422 2HG2 VAL 422 5.338 -6.658 10.942 143 H LYS 423 H LYS 423 3.562 -10.445 12.123 144 HA LYS 423 HA LYS 423 4.651 -9.576 14.633 145 HB2 LYS 423 2HB LYS 423 3.992 -12.210 13.378 146 HB3 LYS 423 1HB LYS 423 5.065 -12.176 14.772 147 HG2 LYS 423 2HG LYS 423 2.800 -12.581 15.484 148 HG3 LYS 423 1HG LYS 423 3.333 -11.000 16.056 149 HD2 LYS 423 2HD LYS 423 1.128 -10.703 15.243 150 HD3 LYS 423 1HD LYS 423 2.201 -10.019 14.022 151 HE2 LYS 423 2HE LYS 423 2.056 -12.443 13.009 152 HE3 LYS 423 1HE LYS 423 0.558 -12.506 13.937 153 HZ1 LYS 423 3HZ LYS 423 1.195 -10.346 12.006 154 HZ2 LYS 423 1HZ LYS 423 -0.293 -10.650 12.755 155 HZ3 LYS 423 2HZ LYS 423 0.310 -11.730 11.601 156 H GLY 424 H GLY 424 6.702 -11.031 15.348 157 HA2 GLY 424 2HA GLY 424 8.976 -11.354 15.109 158 HA3 GLY 424 1HA GLY 424 8.706 -11.454 13.375 159 H ASN 425 H ASN 425 7.322 -8.700 13.860 160 HA ASN 425 HA ASN 425 9.493 -6.900 14.364 161 HB2 ASN 425 2HB ASN 425 9.802 -7.654 11.958 162 HB3 ASN 425 1HB ASN 425 8.235 -6.930 11.607 163 HD21 ASN 425 1HD2 ASN 425 8.006 -4.683 11.733 164 HD22 ASN 425 2HD2 ASN 425 9.375 -3.632 11.656 165 HA PRO 426 HA PRO 426 4.899 -6.231 15.709 166 HB2 PRO 426 2HB PRO 426 6.782 -4.652 17.425 167 HB3 PRO 426 1HB PRO 426 5.263 -5.433 17.863 168 HG2 PRO 426 2HG PRO 426 7.703 -6.563 18.296 169 HG3 PRO 426 1HG PRO 426 6.223 -7.502 18.037 170 HD2 PRO 426 2HD PRO 426 8.550 -7.299 16.336 171 HD3 PRO 426 1HD PRO 426 7.115 -8.319 16.123 172 H TYR 427 H TYR 427 5.003 -5.092 13.455 173 HA TYR 427 HA TYR 427 4.612 -2.271 14.017 174 HB2 TYR 427 2HB TYR 427 6.755 -3.270 12.167 175 HB3 TYR 427 1HB TYR 427 6.017 -1.690 11.922 176 HD1 TYR 427 1HD TYR 427 7.837 -3.734 14.457 177 HD2 TYR 427 2HD TYR 427 6.779 0.166 13.118 178 HE1 TYR 427 1HE TYR 427 9.377 -2.758 16.102 179 HE2 TYR 427 2HE TYR 427 8.318 1.153 14.763 180 HH TYR 427 HH TYR 427 10.595 -0.734 16.505 181 HA PRO 428 HA PRO 428 1.532 -2.793 10.895 182 HB2 PRO 428 2HB PRO 428 1.302 -0.030 10.282 183 HB3 PRO 428 1HB PRO 428 0.364 -0.946 11.458 184 HG2 PRO 428 2HG PRO 428 2.187 1.081 12.044 185 HG3 PRO 428 1HG PRO 428 1.540 -0.098 13.195 186 HD2 PRO 428 2HD PRO 428 4.165 -0.062 11.787 187 HD3 PRO 428 1HD PRO 428 3.755 -0.649 13.411 188 H ARG 429 H ARG 429 1.719 -3.468 8.878 189 HA ARG 429 HA ARG 429 3.728 -2.283 7.119 190 HB2 ARG 429 2HB ARG 429 3.767 -4.704 7.331 191 HB3 ARG 429 1HB ARG 429 2.074 -4.803 6.875 192 HG2 ARG 429 2HG ARG 429 2.750 -3.778 4.661 193 HG3 ARG 429 1HG ARG 429 4.420 -4.068 5.151 194 HD2 ARG 429 2HD ARG 429 2.785 -6.417 5.552 195 HD3 ARG 429 1HD ARG 429 2.695 -5.855 3.883 196 HE ARG 429 HE ARG 429 5.361 -5.829 4.482 197 HH11 ARG 429 1HH1 ARG 429 2.840 -8.242 4.562 198 HH12 ARG 429 2HH1 ARG 429 3.915 -9.555 4.214 199 HH21 ARG 429 1HH2 ARG 429 6.773 -7.552 4.026 200 HH22 ARG 429 2HH2 ARG 429 6.149 -9.162 3.911 201 H SER 430 H SER 430 3.200 -1.710 4.929 202 HA SER 430 HA SER 430 0.354 -1.209 4.409 203 HB2 SER 430 2HB SER 430 2.473 0.889 3.913 204 HB3 SER 430 1HB SER 430 0.723 1.070 3.775 205 HG SER 430 HG SER 430 0.723 0.534 6.108 206 H TYR 431 H TYR 431 -0.236 -1.194 2.212 207 HA TYR 431 HA TYR 431 1.888 -2.161 0.413 208 HB2 TYR 431 2HB TYR 431 -1.094 -2.653 0.344 209 HB3 TYR 431 1HB TYR 431 0.027 -3.175 -0.908 210 HD1 TYR 431 2HD TYR 431 -1.048 -3.698 2.570 211 HD2 TYR 431 1HD TYR 431 1.489 -5.050 -0.566 212 HE1 TYR 431 2HE TYR 431 -0.602 -5.764 3.830 213 HE2 TYR 431 1HE TYR 431 1.942 -7.119 0.684 214 HH TYR 431 HH TYR 431 1.102 -8.446 2.419 215 H TYR 432 H TYR 432 2.633 -0.484 -0.718 216 HA TYR 432 HA TYR 432 0.741 1.514 -1.735 217 HB2 TYR 432 2HB TYR 432 3.743 1.513 -1.410 218 HB3 TYR 432 1HB TYR 432 2.888 2.765 -2.301 219 HD1 TYR 432 2HD TYR 432 1.494 4.388 -1.137 220 HD2 TYR 432 1HD TYR 432 3.592 1.369 1.000 221 HE1 TYR 432 2HE TYR 432 1.110 5.613 0.960 222 HE2 TYR 432 1HE TYR 432 3.216 2.585 3.103 223 HH TYR 432 HH TYR 432 2.768 5.009 3.774 224 H LYS 433 H LYS 433 0.090 1.387 -3.788 225 HA LYS 433 HA LYS 433 1.780 -0.129 -5.667 226 HB2 LYS 433 2HB LYS 433 -1.145 -0.005 -5.242 227 HB3 LYS 433 1HB LYS 433 -0.608 -0.078 -6.915 228 HG2 LYS 433 2HG LYS 433 0.534 -2.133 -6.538 229 HG3 LYS 433 1HG LYS 433 0.273 -2.019 -4.796 230 HD2 LYS 433 2HD LYS 433 -2.123 -2.257 -5.115 231 HD3 LYS 433 1HD LYS 433 -1.908 -2.275 -6.868 232 HE2 LYS 433 2HE LYS 433 -0.932 -4.382 -6.852 233 HE3 LYS 433 1HE LYS 433 -0.497 -4.276 -5.146 234 HZ1 LYS 433 3HZ LYS 433 -2.968 -4.305 -4.705 235 HZ2 LYS 433 1HZ LYS 433 -2.294 -5.754 -5.263 236 HZ3 LYS 433 2HZ LYS 433 -3.170 -4.765 -6.319 237 H CYS 434 H CYS 434 2.827 1.087 -7.091 238 HA CYS 434 HA CYS 434 2.075 3.798 -7.618 239 HB2 CYS 434 2HB CYS 434 4.412 3.332 -7.610 240 HB3 CYS 434 1HB CYS 434 4.221 1.986 -8.724 241 H THR 435 H THR 435 0.488 4.334 -8.960 242 HA THR 435 HA THR 435 -0.284 2.490 -11.090 243 HB THR 435 HB THR 435 -2.332 3.722 -11.264 244 HG1 THR 435 1HG THR 435 -2.568 5.617 -9.800 245 HG21 THR 435 3HG2 THR 435 -3.233 3.533 -9.000 246 HG22 THR 435 1HG2 THR 435 -1.597 3.473 -8.342 247 HG23 THR 435 2HG2 THR 435 -2.185 2.163 -9.368 248 H THR 436 H THR 436 -1.016 3.575 -13.177 249 HA THR 436 HA THR 436 -0.144 6.046 -14.027 250 HB THR 436 HB THR 436 1.674 4.495 -15.578 251 HG1 THR 436 1HG THR 436 1.725 3.163 -13.619 252 HG21 THR 436 3HG2 THR 436 3.223 6.136 -14.029 253 HG22 THR 436 1HG2 THR 436 1.648 6.928 -13.950 254 HG23 THR 436 2HG2 THR 436 2.402 6.617 -15.515 255 HA PRO 437 HA PRO 437 -2.857 5.106 -17.353 256 HB2 PRO 437 2HB PRO 437 -0.637 5.731 -19.258 257 HB3 PRO 437 1HB PRO 437 -2.307 6.296 -19.248 258 HG2 PRO 437 2HG PRO 437 -0.274 7.833 -18.376 259 HG3 PRO 437 1HG PRO 437 -1.898 7.917 -17.676 260 HD2 PRO 437 2HD PRO 437 0.587 6.807 -16.532 261 HD3 PRO 437 1HD PRO 437 -0.873 7.389 -15.710 262 H GLY 438 H GLY 438 0.445 3.965 -18.033 263 HA2 GLY 438 2HA GLY 438 -0.736 1.345 -18.719 264 HA3 GLY 438 1HA GLY 438 0.579 2.043 -19.648 265 H CYS 439 H CYS 439 0.400 2.247 -16.139 266 HA CYS 439 HA CYS 439 2.351 0.091 -15.897 267 HB2 CYS 439 2HB CYS 439 3.898 1.789 -16.168 268 HB3 CYS 439 1HB CYS 439 2.900 2.972 -15.354 269 H GLY 440 H GLY 440 2.706 -0.686 -13.853 270 HA2 GLY 440 2HA GLY 440 1.214 0.247 -11.564 271 HA3 GLY 440 1HA GLY 440 0.592 -1.250 -12.239 272 H VAL 441 H VAL 441 2.717 0.054 -10.020 273 HA VAL 441 HA VAL 441 4.164 -2.508 -9.816 274 HB VAL 441 HB VAL 441 5.246 0.286 -9.608 275 HG11 VAL 441 1HG1 VAL 441 7.363 -0.889 -8.684 276 HG12 VAL 441 2HG1 VAL 441 6.236 -2.132 -8.143 277 HG13 VAL 441 3HG1 VAL 441 6.063 -0.474 -7.566 278 HG21 VAL 441 3HG2 VAL 441 6.053 -2.239 -11.016 279 HG22 VAL 441 1HG2 VAL 441 7.124 -0.845 -10.883 280 HG23 VAL 441 2HG2 VAL 441 5.580 -0.693 -11.723 281 H ARG 442 H ARG 442 4.601 -3.263 -7.717 282 HA ARG 442 HA ARG 442 2.924 -2.028 -5.647 283 HB2 ARG 442 2HB ARG 442 4.098 -4.809 -5.617 284 HB3 ARG 442 1HB ARG 442 2.834 -4.169 -4.577 285 HG2 ARG 442 2HG ARG 442 1.405 -3.920 -6.613 286 HG3 ARG 442 1HG ARG 442 2.650 -4.786 -7.516 287 HD2 ARG 442 2HD ARG 442 2.370 -6.533 -5.565 288 HD3 ARG 442 1HD ARG 442 0.786 -5.773 -5.411 289 HE ARG 442 HE ARG 442 1.180 -6.383 -8.103 290 HH11 ARG 442 1HH1 ARG 442 0.804 -8.057 -5.067 291 HH12 ARG 442 2HH1 ARG 442 0.092 -9.462 -5.785 292 HH21 ARG 442 1HH2 ARG 442 0.246 -8.230 -9.052 293 HH22 ARG 442 2HH2 ARG 442 -0.221 -9.563 -8.049 294 H LYS 443 H LYS 443 3.741 -1.457 -3.687 295 HA LYS 443 HA LYS 443 6.613 -1.845 -3.216 296 HB2 LYS 443 2HB LYS 443 6.442 0.372 -4.106 297 HB3 LYS 443 1HB LYS 443 5.071 0.744 -3.073 298 HG2 LYS 443 2HG LYS 443 6.411 0.916 -1.164 299 HG3 LYS 443 1HG LYS 443 7.766 0.089 -1.937 300 HD2 LYS 443 2HD LYS 443 8.575 2.132 -2.360 301 HD3 LYS 443 1HD LYS 443 7.323 2.241 -3.595 302 HE2 LYS 443 2HE LYS 443 5.807 3.109 -1.733 303 HE3 LYS 443 1HE LYS 443 7.283 3.313 -0.790 304 HZ1 LYS 443 3HZ LYS 443 7.625 5.226 -1.818 305 HZ2 LYS 443 1HZ LYS 443 6.220 5.018 -2.739 306 HZ3 LYS 443 2HZ LYS 443 7.702 4.440 -3.314 307 H HIS 444 H HIS 444 7.137 -2.378 -1.161 308 HA HIS 444 HA HIS 444 4.942 -2.343 0.808 309 HB2 HIS 444 2HB HIS 444 7.332 -4.188 0.610 310 HB3 HIS 444 1HB HIS 444 6.144 -4.219 1.910 311 HD1 HIS 444 1HD HIS 444 6.222 -6.795 0.654 312 HD2 HIS 444 2HD HIS 444 4.071 -3.702 -1.098 313 HE1 HIS 444 1HE HIS 444 4.565 -7.910 -0.874 314 HE2 HIS 444 2HE HIS 444 3.336 -6.015 -1.990 315 H VAL 445 H VAL 445 5.244 -1.444 2.789 316 HA VAL 445 HA VAL 445 7.904 -0.326 3.374 317 HB VAL 445 HB VAL 445 5.272 1.052 3.916 318 HG11 VAL 445 1HG1 VAL 445 6.585 2.929 4.642 319 HG12 VAL 445 2HG1 VAL 445 8.083 2.099 4.218 320 HG13 VAL 445 3HG1 VAL 445 7.090 1.504 5.549 321 HG21 VAL 445 3HG2 VAL 445 5.510 2.292 2.031 322 HG22 VAL 445 1HG2 VAL 445 6.344 0.839 1.479 323 HG23 VAL 445 2HG2 VAL 445 7.271 2.218 2.072 324 H GLU 446 H GLU 446 8.695 -1.038 5.223 325 HA GLU 446 HA GLU 446 6.870 -1.611 7.453 326 HB2 GLU 446 2HB GLU 446 9.103 -3.370 6.431 327 HB3 GLU 446 1HB GLU 446 8.361 -3.571 8.011 328 HG2 GLU 446 2HG GLU 446 6.902 -4.917 7.045 329 HG3 GLU 446 1HG GLU 446 6.219 -3.494 6.261 330 H ARG 447 H ARG 447 7.781 -1.342 9.537 331 HA ARG 447 HA ARG 447 10.118 0.426 9.547 332 HB2 ARG 447 2HB ARG 447 7.797 0.022 11.390 333 HB3 ARG 447 1HB ARG 447 9.287 0.709 12.023 334 HG2 ARG 447 2HG ARG 447 8.570 2.689 11.344 335 HG3 ARG 447 1HG ARG 447 8.789 2.132 9.684 336 HD2 ARG 447 2HD ARG 447 6.593 2.113 9.330 337 HD3 ARG 447 1HD ARG 447 6.311 1.138 10.772 338 HE ARG 447 HE ARG 447 5.726 3.041 11.905 339 HH11 ARG 447 1HH1 ARG 447 7.320 3.929 8.933 340 HH12 ARG 447 2HH1 ARG 447 6.963 5.615 9.097 341 HH21 ARG 447 1HH2 ARG 447 5.253 5.259 12.126 342 HH22 ARG 447 2HH2 ARG 447 5.790 6.372 10.913 343 H ALA 448 H ALA 448 12.020 -0.454 9.997 344 HA ALA 448 HA ALA 448 12.547 -3.015 10.790 345 HB1 ALA 448 1HB ALA 448 14.677 -2.396 10.604 346 HB2 ALA 448 2HB ALA 448 14.521 -1.172 11.866 347 HB3 ALA 448 3HB ALA 448 14.061 -0.791 10.205 348 H ALA 449 H ALA 449 12.041 -4.105 12.515 349 HA ALA 449 HA ALA 449 10.862 -3.300 14.815 350 HB1 ALA 449 1HB ALA 449 12.462 -5.396 15.694 351 HB2 ALA 449 2HB ALA 449 12.267 -5.674 13.963 352 HB3 ALA 449 3HB ALA 449 10.847 -5.514 14.995 353 H THR 450 H THR 450 14.389 -3.744 14.464 354 HA THR 450 HA THR 450 14.931 -2.650 17.061 355 HB THR 450 HB THR 450 17.342 -2.547 15.846 356 HG1 THR 450 1HG THR 450 17.405 -3.748 14.092 357 HG21 THR 450 3HG2 THR 450 17.638 -4.924 16.631 358 HG22 THR 450 1HG2 THR 450 15.911 -4.940 16.992 359 HG23 THR 450 2HG2 THR 450 16.977 -3.813 17.832 360 H ASP 451 H ASP 451 14.830 -1.437 13.787 361 HA ASP 451 HA ASP 451 15.400 1.261 14.823 362 HB2 ASP 451 2HB ASP 451 17.224 0.166 13.355 363 HB3 ASP 451 1HB ASP 451 16.111 0.437 12.018 364 HA PRO 452 HA PRO 452 11.231 1.445 12.938 365 HB2 PRO 452 2HB PRO 452 10.323 3.456 14.504 366 HB3 PRO 452 1HB PRO 452 10.341 1.770 15.032 367 HG2 PRO 452 2HG PRO 452 12.280 3.966 15.649 368 HG3 PRO 452 1HG PRO 452 11.589 2.747 16.735 369 HD2 PRO 452 2HD PRO 452 14.079 2.529 15.680 370 HD3 PRO 452 1HD PRO 452 13.067 1.118 16.050 371 H LYS 453 H LYS 453 13.875 3.556 13.026 372 HA LYS 453 HA LYS 453 12.516 5.640 11.487 373 HB2 LYS 453 2HB LYS 453 15.413 5.672 12.294 374 HB3 LYS 453 1HB LYS 453 14.368 7.033 11.910 375 HG2 LYS 453 2HG LYS 453 13.986 7.297 14.071 376 HG3 LYS 453 1HG LYS 453 13.173 5.731 14.089 377 HD2 LYS 453 2HD LYS 453 14.934 5.825 15.778 378 HD3 LYS 453 1HD LYS 453 15.309 4.626 14.538 379 HE2 LYS 453 2HE LYS 453 16.342 7.308 13.970 380 HE3 LYS 453 1HE LYS 453 17.013 6.571 15.424 381 HZ1 LYS 453 3HZ LYS 453 18.210 5.157 14.216 382 HZ2 LYS 453 1HZ LYS 453 17.842 6.116 12.871 383 HZ3 LYS 453 2HZ LYS 453 16.908 4.748 13.217 384 H ALA 454 H ALA 454 14.452 2.869 11.014 385 HA ALA 454 HA ALA 454 15.872 3.627 8.698 386 HB1 ALA 454 1HB ALA 454 14.940 0.847 9.364 387 HB2 ALA 454 2HB ALA 454 16.327 1.620 10.128 388 HB3 ALA 454 3HB ALA 454 16.334 1.318 8.391 389 H VAL 455 H VAL 455 13.099 1.418 8.863 390 HA VAL 455 HA VAL 455 11.249 1.199 7.537 391 HB VAL 455 HB VAL 455 12.156 3.622 5.981 392 HG11 VAL 455 1HG1 VAL 455 9.767 3.822 5.453 393 HG12 VAL 455 2HG1 VAL 455 9.454 2.334 6.346 394 HG13 VAL 455 3HG1 VAL 455 10.443 2.296 4.886 395 HG21 VAL 455 3HG2 VAL 455 11.833 3.837 8.573 396 HG22 VAL 455 1HG2 VAL 455 10.121 3.782 8.155 397 HG23 VAL 455 2HG2 VAL 455 11.153 5.044 7.485 398 H VAL 456 H VAL 456 11.013 -0.264 5.973 399 HA VAL 456 HA VAL 456 13.217 -0.585 4.052 400 HB VAL 456 HB VAL 456 12.888 -2.868 4.019 401 HG11 VAL 456 1HG1 VAL 456 11.743 -2.821 6.711 402 HG12 VAL 456 2HG1 VAL 456 13.106 -1.723 6.486 403 HG13 VAL 456 3HG1 VAL 456 13.293 -3.443 6.143 404 HG21 VAL 456 3HG2 VAL 456 10.635 -3.777 5.121 405 HG22 VAL 456 1HG2 VAL 456 10.756 -3.359 3.412 406 HG23 VAL 456 2HG2 VAL 456 10.049 -2.215 4.550 407 H THR 457 H THR 457 12.830 -0.748 1.867 408 HA THR 457 HA THR 457 10.048 -0.405 0.973 409 HB THR 457 HB THR 457 11.957 0.978 -0.745 410 HG1 THR 457 1HG THR 457 11.689 1.766 1.975 411 HG21 THR 457 3HG2 THR 457 9.380 1.063 -0.633 412 HG22 THR 457 1HG2 THR 457 10.258 2.573 -0.888 413 HG23 THR 457 2HG2 THR 457 9.624 2.180 0.709 414 H THR 458 H THR 458 9.506 -1.969 -0.388 415 HA THR 458 HA THR 458 11.622 -3.199 -2.032 416 HB THR 458 HB THR 458 9.076 -4.656 -1.504 417 HG1 THR 458 1HG THR 458 11.135 -4.194 0.390 418 HG21 THR 458 3HG2 THR 458 10.950 -5.462 -3.005 419 HG22 THR 458 1HG2 THR 458 10.432 -6.586 -1.749 420 HG23 THR 458 2HG2 THR 458 11.917 -5.656 -1.543 421 H TYR 459 H TYR 459 11.441 -3.133 -4.157 422 HA TYR 459 HA TYR 459 8.986 -2.020 -5.295 423 HB2 TYR 459 2HB TYR 459 11.837 -2.164 -6.241 424 HB3 TYR 459 1HB TYR 459 10.534 -1.833 -7.372 425 HD1 TYR 459 1HD TYR 459 9.100 -0.300 -4.831 426 HD2 TYR 459 2HD TYR 459 12.721 0.057 -7.033 427 HE1 TYR 459 1HE TYR 459 9.198 2.091 -4.276 428 HE2 TYR 459 2HE TYR 459 12.835 2.447 -6.471 429 HH TYR 459 HH TYR 459 10.199 4.128 -5.050 430 H GLU 460 H GLU 460 7.567 -3.441 -6.040 431 HA GLU 460 HA GLU 460 8.497 -6.013 -7.080 432 HB2 GLU 460 2HB GLU 460 5.974 -4.998 -5.914 433 HB3 GLU 460 1HB GLU 460 5.800 -6.192 -7.193 434 HG2 GLU 460 2HG GLU 460 6.384 -7.849 -5.843 435 HG3 GLU 460 1HG GLU 460 7.809 -6.981 -5.274 436 H GLY 461 H GLY 461 9.210 -5.622 -9.133 437 HA2 GLY 461 2HA GLY 461 8.691 -5.669 -11.436 438 HA3 GLY 461 1HA GLY 461 7.152 -4.898 -11.082 439 H LYS 462 H LYS 462 8.975 -4.123 -13.140 440 HA LYS 462 HA LYS 462 10.202 -1.665 -12.163 441 HB2 LYS 462 2HB LYS 462 10.363 -3.239 -14.700 442 HB3 LYS 462 1HB LYS 462 10.802 -1.536 -14.720 443 HG2 LYS 462 2HG LYS 462 12.013 -3.582 -12.874 444 HG3 LYS 462 1HG LYS 462 12.724 -3.060 -14.403 445 HD2 LYS 462 2HD LYS 462 12.659 -0.708 -13.505 446 HD3 LYS 462 1HD LYS 462 12.216 -1.398 -11.942 447 HE2 LYS 462 2HE LYS 462 14.621 -2.444 -13.358 448 HE3 LYS 462 1HE LYS 462 14.724 -0.886 -12.539 449 HZ1 LYS 462 3HZ LYS 462 14.882 -1.904 -10.593 450 HZ2 LYS 462 1HZ LYS 462 14.972 -3.388 -11.402 451 HZ3 LYS 462 2HZ LYS 462 13.476 -2.805 -10.867 452 H HIS 463 H HIS 463 9.914 0.323 -13.536 453 HA HIS 463 HA HIS 463 7.054 0.662 -14.112 454 HB2 HIS 463 2HB HIS 463 9.138 2.773 -13.515 455 HB3 HIS 463 1HB HIS 463 7.412 3.050 -13.720 456 HD2 HIS 463 2HD HIS 463 9.793 1.282 -11.121 457 HE1 HIS 463 1HE HIS 463 6.135 2.291 -9.220 458 HE2 HIS 463 2HE HIS 463 8.429 1.285 -8.925 459 H ASN 464 H ASN 464 6.351 1.399 -16.059 460 HA ASN 464 HA ASN 464 8.384 1.634 -18.164 461 HB2 ASN 464 2HB ASN 464 5.580 0.619 -18.103 462 HB3 ASN 464 1HB ASN 464 6.163 1.344 -19.597 463 HD21 ASN 464 1HD2 ASN 464 5.501 -1.475 -18.662 464 HD22 ASN 464 2HD2 ASN 464 6.862 -2.406 -19.173 465 H HIS 465 H HIS 465 8.214 3.903 -16.730 466 HA HIS 465 HA HIS 465 7.251 5.785 -18.680 467 HB2 HIS 465 2HB HIS 465 5.839 7.046 -17.079 468 HB3 HIS 465 1HB HIS 465 5.200 5.453 -17.459 469 HD1 HIS 465 1HD HIS 465 7.190 7.153 -14.709 470 HD2 HIS 465 2HD HIS 465 4.617 3.945 -15.275 471 HE1 HIS 465 1HE HIS 465 6.756 6.226 -12.412 472 H ASP 466 H ASP 466 9.743 5.398 -18.135 473 HA ASP 466 HA ASP 466 11.614 6.066 -16.794 474 HB2 ASP 466 2HB ASP 466 10.618 8.175 -18.680 475 HB3 ASP 466 1HB ASP 466 12.113 8.414 -17.779 476 H LEU 467 H LEU 467 10.086 9.231 -16.940 477 HA LEU 467 HA LEU 467 9.601 9.270 -14.083 478 HB2 LEU 467 2HB LEU 467 12.066 10.071 -14.938 479 HB3 LEU 467 1HB LEU 467 11.178 11.581 -14.972 480 HG LEU 467 HG LEU 467 12.388 11.256 -12.858 481 HD11 LEU 467 1HD1 LEU 467 9.912 11.142 -11.567 482 HD12 LEU 467 2HD1 LEU 467 9.591 11.842 -13.153 483 HD13 LEU 467 3HD1 LEU 467 10.787 12.581 -12.090 484 HD21 LEU 467 3HD2 LEU 467 10.869 9.436 -11.442 485 HD22 LEU 467 1HD2 LEU 467 12.505 9.182 -12.054 486 HD23 LEU 467 2HD2 LEU 467 11.115 8.650 -13.001 487 HA PRO 468 HA PRO 468 6.510 11.923 -15.966 488 HB2 PRO 468 2HB PRO 468 4.650 11.662 -14.045 489 HB3 PRO 468 1HB PRO 468 5.010 10.358 -15.182 490 HG2 PRO 468 2HG PRO 468 5.728 10.624 -12.322 491 HG3 PRO 468 1HG PRO 468 5.461 9.163 -13.286 492 HD2 PRO 468 2HD PRO 468 7.952 10.333 -12.579 493 HD3 PRO 468 1HD PRO 468 7.684 8.969 -13.676 494 H ALA 469 H ALA 469 7.833 13.827 -15.690 495 HA ALA 469 HA ALA 469 7.530 15.278 -13.171 496 HB1 ALA 469 1HB ALA 469 9.153 16.862 -14.160 497 HB2 ALA 469 2HB ALA 469 9.192 15.870 -15.617 498 HB3 ALA 469 3HB ALA 469 9.762 15.210 -14.084 499 H5' DC 3 H5' DC 3 -7.265 10.805 -9.755 500 H5'' DC 3 H5" DC 3 -6.897 12.354 -10.541 501 H4' DC 3 H4' DC 3 -4.703 12.317 -9.296 502 H3' DC 3 H3' DC 3 -5.107 9.777 -8.565 503 H2' DC 3 H2' DC 3 -7.134 10.047 -7.317 504 H2'' DC 3 H2" DC 3 -5.945 10.233 -6.033 505 H1' DC 3 H1' DC 3 -6.076 12.607 -6.053 506 H41 DC 3 1H4 DC 3 -12.184 13.767 -4.898 507 H42 DC 3 2H4 DC 3 -12.704 12.594 -6.086 508 H5 DC 3 5H DC 3 -11.153 11.328 -7.450 509 H6 DC 3 6H DC 3 -8.796 10.938 -7.950 510 H5' DC 4 H5' DC 4 -2.593 11.349 -4.734 511 H5'' DC 4 H5" DC 4 -1.716 9.913 -4.164 512 H4' DC 4 H4' DC 4 -3.117 10.977 -2.433 513 H3' DC 4 H3' DC 4 -3.353 8.124 -3.148 514 H2' DC 4 H2' DC 4 -5.569 7.909 -2.471 515 H2'' DC 4 H2" DC 4 -5.204 8.739 -0.965 516 H1' DC 4 H1' DC 4 -5.878 10.805 -1.733 517 H41 DC 4 1H4 DC 4 -11.553 9.879 -4.360 518 H42 DC 4 2H4 DC 4 -10.892 8.826 -5.593 519 H5 DC 4 5H DC 4 -8.540 8.263 -5.718 520 H6 DC 4 6H DC 4 -6.353 8.595 -4.691 521 H5' DT 5 H5' DT 5 -4.355 10.062 0.270 522 H5'' DT 5 H5" DT 5 -3.084 9.885 1.498 523 H4' DT 5 H4' DT 5 -4.849 10.602 2.762 524 H3' DT 5 H3' DT 5 -4.102 8.111 3.400 525 H2' DT 5 H2' DT 5 -5.655 6.872 2.070 526 H2'' DT 5 H2" DT 5 -6.578 7.019 3.559 527 H1' DT 5 H1' DT 5 -7.894 8.817 2.746 528 H3 DT 5 3H DT 5 -10.594 7.703 -0.637 529 H71 DT 5 1H7 DT 5 -6.771 6.237 -3.080 530 H72 DT 5 2H7 DT 5 -5.682 5.763 -1.756 531 H73 DT 5 3H7 DT 5 -7.116 4.776 -2.126 532 H6 DT 5 6H DT 5 -5.948 7.003 0.181 533 H5' DT 6 H5' DT 6 -7.025 8.466 7.050 534 H5'' DT 6 H5" DT 6 -6.039 7.895 8.414 535 H4' DT 6 H4' DT 6 -7.652 6.297 8.391 536 H3' DT 6 H3' DT 6 -5.430 5.298 6.654 537 H2' DT 6 H2' DT 6 -6.758 3.539 5.828 538 H2'' DT 6 H2" DT 6 -7.696 3.435 7.310 539 H1' DT 6 H1' DT 6 -9.342 4.762 6.454 540 H3 DT 6 3H DT 6 -10.744 5.004 2.213 541 H71 DT 6 1H7 DT 6 -6.055 3.332 1.460 542 H72 DT 6 2H7 DT 6 -6.444 4.814 0.556 543 H73 DT 6 3H7 DT 6 -5.408 4.898 2.001 544 H6 DT 6 6H DT 6 -6.432 4.643 4.219 545 H5' DT 7 H5' DT 7 -7.156 2.558 10.490 546 H5'' DT 7 H5" DT 7 -6.601 0.893 10.220 547 H4' DT 7 H4' DT 7 -9.202 1.774 10.197 548 H3' DT 7 H3' DT 7 -8.105 -0.680 10.195 549 H2' DT 7 H2' DT 7 -7.538 -0.818 7.867 550 H2'' DT 7 H2" DT 7 -9.140 -1.541 7.854 551 H1' DT 7 H1' DT 7 -10.203 0.494 7.162 552 H3 DT 7 3H DT 7 -9.208 0.965 2.850 553 H71 DT 7 1H7 DT 7 -4.824 2.115 3.806 554 H72 DT 7 2H7 DT 7 -4.520 0.481 4.443 555 H73 DT 7 3H7 DT 7 -4.668 1.857 5.560 556 H6 DT 7 6H DT 7 -6.540 0.970 6.803 557 H5' DG 8 H5' DG 8 -13.045 -0.948 9.431 558 H5'' DG 8 H5" DG 8 -13.355 -2.167 10.684 559 H4' DG 8 H4' DG 8 -14.874 -2.394 8.789 560 H3' DG 8 H3' DG 8 -13.820 -4.504 10.029 561 H2' DG 8 H2' DG 8 -11.835 -4.762 8.701 562 H2'' DG 8 H2" DG 8 -12.928 -5.863 7.877 563 H1' DG 8 H1' DG 8 -13.443 -4.292 6.157 564 H8 DG 8 8H DG 8 -10.198 -3.626 8.106 565 H1 DG 8 1H DG 8 -9.780 -3.038 1.733 566 H21 DG 8 1H2 DG 8 -11.752 -3.258 0.815 567 H22 DG 8 2H2 DG 8 -13.197 -3.550 1.757 568 H5' DA 9 H5' DA 9 -16.887 -5.524 6.147 569 H5'' DA 9 H5" DA 9 -17.639 -6.952 6.888 570 H4' DA 9 H4' DA 9 -17.575 -6.971 4.400 571 H3' DA 9 H3' DA 9 -17.407 -9.138 5.958 572 H2' DA 9 H2' DA 9 -15.024 -9.235 6.200 573 H2'' DA 9 H2" DA 9 -15.250 -10.285 4.812 574 H1' DA 9 H1' DA 9 -14.678 -8.576 3.245 575 H8 DA 9 8H DA 9 -13.437 -8.024 6.847 576 H61 DA 9 2H6 DA 9 -8.821 -6.925 5.774 577 H62 DA 9 1H6 DA 9 -7.965 -6.701 4.265 578 H2 DA 9 2H DA 9 -10.943 -7.325 0.974 579 H5' DC 10 H5' DC 10 -17.371 -9.932 0.956 580 H5'' DC 10 H5" DC 10 -18.386 -11.385 1.067 581 H4' DC 10 H4' DC 10 -16.962 -11.389 -0.916 582 H3' DC 10 H3' DC 10 -17.414 -13.585 0.577 583 H2' DC 10 H2' DC 10 -15.468 -13.604 1.943 584 H2'' DC 10 H2" DC 10 -14.823 -14.461 0.552 585 H1' DC 10 H1' DC 10 -13.691 -12.593 -0.290 586 H41 DC 10 1H4 DC 10 -10.097 -10.495 4.491 587 H42 DC 10 2H4 DC 10 -11.425 -10.629 5.618 588 H5 DC 10 5H DC 10 -13.639 -11.353 4.982 589 H6 DC 10 6H DC 10 -15.045 -12.078 3.122 590 H5' DC 11 H5' DC 11 -15.271 -15.380 -3.576 591 H5'' DC 11 H5" DC 11 -15.986 -17.003 -3.657 592 H4' DC 11 H4' DC 11 -13.500 -16.891 -3.903 593 H3' DC 11 H3' DC 11 -14.959 -18.876 -2.657 594 H2' DC 11 H2' DC 11 -14.424 -18.333 -0.404 595 H2'' DC 11 H2" DC 11 -13.013 -19.307 -0.789 596 H1' DC 11 H1' DC 11 -11.670 -17.390 -1.339 597 H41 DC 11 1H4 DC 11 -11.341 -14.401 4.242 598 H42 DC 11 2H4 DC 11 -13.032 -14.701 4.562 599 H5 DC 11 5H DC 11 -14.502 -15.814 2.999 600 H6 DC 11 6H DC 11 -14.655 -16.849 0.797 601 H5' DA 12 H5' DA 12 -10.451 -19.591 -3.407 602 H5'' DA 12 H5" DA 12 -10.346 -21.068 -4.389 603 H4' DA 12 H4' DA 12 -8.333 -20.954 -3.206 604 H3' DA 12 H3' DA 12 -9.789 -23.194 -2.893 605 H2' DA 12 H2' DA 12 -10.906 -22.630 -0.854 606 H2'' DA 12 H2" DA 12 -9.484 -23.445 -0.219 607 H1' DA 12 H1' DA 12 -8.333 -21.398 0.225 608 H8 DA 12 8H DA 12 -12.167 -21.297 0.073 609 H61 DA 12 2H6 DA 12 -12.900 -18.530 4.001 610 H62 DA 12 1H6 DA 12 -11.824 -17.667 5.076 611 H2 DA 12 2H DA 12 -7.656 -18.380 3.585 612 H5' DT 21 H5' DT 21 -4.928 -14.279 11.723 613 H5'' DT 21 H5" DT 21 -6.466 -14.800 11.010 614 H4' DT 21 H4' DT 21 -3.765 -15.616 9.955 615 H3' DT 21 H3' DT 21 -4.480 -13.025 9.782 616 H2' DT 21 H2' DT 21 -6.610 -13.314 8.721 617 H2'' DT 21 H2" DT 21 -5.572 -13.121 7.316 618 H1' DT 21 H1' DT 21 -5.394 -15.491 6.956 619 H3 DT 21 3H DT 21 -9.215 -17.221 5.448 620 H71 DT 21 1H7 DT 21 -10.873 -13.703 8.859 621 H72 DT 21 2H7 DT 21 -10.616 -15.042 10.002 622 H73 DT 21 3H7 DT 21 -11.769 -15.228 8.660 623 H6 DT 21 6H DT 21 -8.167 -14.415 9.160 624 H5' DG 22 H5' DG 22 -3.513 -14.597 5.576 625 H5'' DG 22 H5" DG 22 -1.816 -14.566 6.099 626 H4' DG 22 H4' DG 22 -1.278 -14.541 3.955 627 H3' DG 22 H3' DG 22 -1.342 -11.923 4.535 628 H2' DG 22 H2' DG 22 -3.391 -11.108 3.771 629 H2'' DG 22 H2" DG 22 -2.796 -11.401 2.143 630 H1' DG 22 H1' DG 22 -4.272 -13.110 1.872 631 H8 DG 22 8H DG 22 -4.392 -11.962 5.522 632 H1 DG 22 1H DG 22 -9.846 -14.462 3.253 633 H21 DG 22 1H2 DG 22 -9.539 -15.283 1.285 634 H22 DG 22 2H2 DG 22 -8.014 -15.262 0.443 635 H5' DG 23 H5' DG 23 -0.955 -12.376 -0.410 636 H5'' DG 23 H5" DG 23 -0.221 -10.831 -0.891 637 H4' DG 23 H4' DG 23 -2.335 -11.603 -2.097 638 H3' DG 23 H3' DG 23 -1.392 -9.073 -1.777 639 H2' DG 23 H2' DG 23 -2.709 -8.448 0.120 640 H2'' DG 23 H2" DG 23 -3.791 -7.964 -1.179 641 H1' DG 23 H1' DG 23 -5.055 -10.009 -1.067 642 H8 DG 23 8H DG 23 -3.138 -9.097 2.166 643 H1 DG 23 1H DG 23 -9.328 -10.603 2.899 644 H21 DG 23 1H2 DG 23 -10.191 -11.204 1.015 645 H22 DG 23 2H2 DG 23 -9.306 -11.265 -0.484 646 H5' DT 24 H5' DT 24 -5.133 -9.134 -3.991 647 H5'' DT 24 H5" DT 24 -5.122 -8.601 -5.685 648 H4' DT 24 H4' DT 24 -6.990 -7.517 -5.157 649 H3' DT 24 H3' DT 24 -4.885 -5.696 -4.082 650 H2' DT 24 H2' DT 24 -6.407 -4.538 -2.716 651 H2'' DT 24 H2" DT 24 -7.740 -4.805 -3.831 652 H1' DT 24 H1' DT 24 -8.467 -6.609 -2.646 653 H3 DT 24 3H DT 24 -8.473 -6.751 1.799 654 H71 DT 24 1H7 DT 24 -3.467 -6.654 1.042 655 H72 DT 24 2H7 DT 24 -4.105 -5.395 2.126 656 H73 DT 24 3H7 DT 24 -3.644 -4.983 0.457 657 H6 DT 24 6H DT 24 -5.039 -5.932 -1.408 658 H5' DC 25 H5' DC 25 -8.236 -4.806 -6.374 659 H5'' DC 25 H5" DC 25 -8.329 -3.664 -7.732 660 H4' DC 25 H4' DC 25 -10.395 -3.445 -6.735 661 H3' DC 25 H3' DC 25 -8.561 -1.255 -5.966 662 H2' DC 25 H2' DC 25 -9.797 -0.563 -4.096 663 H2'' DC 25 H2" DC 25 -11.321 -1.067 -4.809 664 H1' DC 25 H1' DC 25 -11.288 -2.980 -3.603 665 H41 DC 25 1H4 DC 25 -7.784 -2.738 1.643 666 H42 DC 25 2H4 DC 25 -6.317 -2.452 0.733 667 H5 DC 25 5H DC 25 -6.286 -2.235 -1.675 668 H6 DC 25 6H DC 25 -7.640 -2.295 -3.697 669 H5' DA 26 H5' DA 26 -13.095 -1.584 -6.101 670 H5'' DA 26 H5" DA 26 -13.677 -0.206 -7.059 671 H4' DA 26 H4' DA 26 -15.157 -0.902 -5.166 672 H3' DA 26 H3' DA 26 -14.935 1.575 -6.102 673 H2' DA 26 H2' DA 26 -13.038 2.268 -4.792 674 H2'' DA 26 H2" DA 26 -14.367 2.888 -3.829 675 H1' DA 26 H1' DA 26 -14.304 1.034 -2.307 676 H8 DA 26 8H DA 26 -11.096 1.483 -4.382 677 H61 DA 26 2H6 DA 26 -7.928 1.548 -0.688 678 H62 DA 26 1H6 DA 26 -8.103 1.339 1.039 679 H2 DA 26 2H DA 26 -12.453 0.596 1.827 680 H5' DA 27 H5' DA 27 -18.065 1.704 -1.837 681 H5'' DA 27 H5" DA 27 -19.241 2.359 -2.995 682 H4' DA 27 H4' DA 27 -19.607 3.270 -0.782 683 H3' DA 27 H3' DA 27 -19.740 4.814 -2.935 684 H2' DA 27 H2' DA 27 -17.465 5.527 -3.094 685 H2'' DA 27 H2" DA 27 -18.116 6.823 -2.102 686 H1' DA 27 H1' DA 27 -17.222 5.952 -0.106 687 H8 DA 27 8H DA 27 -15.635 4.921 -3.393 688 H61 DA 27 2H6 DA 27 -11.026 4.589 -1.880 689 H62 DA 27 1H6 DA 27 -10.277 4.653 -0.300 690 H2 DA 27 2H DA 27 -13.573 5.263 2.676 691 H5' DA 28 H5' DA 28 -19.483 7.387 1.549 692 H5'' DA 28 H5" DA 28 -20.792 8.482 1.060 693 H4' DA 28 H4' DA 28 -19.192 9.621 2.469 694 H3' DA 28 H3' DA 28 -20.175 10.757 0.236 695 H2' DA 28 H2' DA 28 -18.412 10.248 -1.288 696 H2'' DA 28 H2" DA 28 -17.819 11.779 -0.658 697 H1' DA 28 H1' DA 28 -16.309 10.750 0.851 698 H8 DA 28 8H DA 28 -17.472 8.697 -2.162 699 H61 DA 28 2H6 DA 28 -13.175 6.770 -3.362 700 H62 DA 28 1H6 DA 28 -11.596 6.800 -2.609 701 H2 DA 28 2H DA 28 -11.997 9.206 1.153 702 H5' DG 29 H5' DG 29 -17.992 14.153 3.349 703 H5'' DG 29 H5" DG 29 -18.139 15.709 2.507 704 H4' DG 29 H4' DG 29 -15.951 15.023 3.789 705 H3' DG 29 H3' DG 29 -16.433 17.046 2.047 706 H2' DG 29 H2' DG 29 -15.813 15.928 0.025 707 H2'' DG 29 H2" DG 29 -14.260 16.611 0.490 708 H1' DG 29 H1' DG 29 -13.521 14.573 1.524 709 H8 DG 29 8H DG 29 -16.550 13.600 -0.701 710 H1 DG 29 1H DG 29 -10.865 11.186 -2.427 711 H21 DG 29 1H2 DG 29 -9.293 11.887 -1.070 712 H22 DG 29 2H2 DG 29 -9.623 12.958 0.274 713 H5' DG 30 H5' DG 30 -11.591 17.609 3.830 714 H5'' DG 30 H5" DG 30 -12.074 19.224 4.390 715 H4' DG 30 H4' DG 30 -9.786 19.268 3.671 716 H3' DG 30 H3' DG 30 -11.464 21.193 2.911 717 H2' DG 30 H2' DG 30 -12.231 20.275 0.843 718 H2'' DG 30 H2" DG 30 -10.863 21.220 0.267 719 H1' DG 30 H1' DG 30 -9.442 19.339 0.091 720 H8 DG 30 8H DG 30 -13.204 18.654 0.173 721 H1 DG 30 1H DG 30 -9.833 14.919 -3.807 722 H21 DG 30 1H2 DG 30 -7.683 15.265 -3.541 723 H22 DG 30 2H2 DG 30 -7.058 16.415 -2.381 Start of MODEL 17 1 H LEU 407 H LEU 407 7.154 4.439 5.677 2 HA LEU 407 HA LEU 407 7.812 5.250 3.667 3 HB2 LEU 407 2HB LEU 407 5.627 3.841 3.856 4 HB3 LEU 407 1HB LEU 407 4.827 5.319 3.356 5 HG LEU 407 HG LEU 407 5.303 3.690 1.511 6 HD11 LEU 407 2HD1 LEU 407 6.850 5.936 0.574 7 HD12 LEU 407 3HD1 LEU 407 5.480 6.467 1.548 8 HD13 LEU 407 1HD1 LEU 407 5.216 5.436 0.142 9 HD21 LEU 407 1HD2 LEU 407 7.736 3.401 2.634 10 HD22 LEU 407 2HD2 LEU 407 8.110 4.571 1.368 11 HD23 LEU 407 3HD2 LEU 407 7.379 3.021 0.949 12 H LEU 408 H LEU 408 8.055 6.898 2.205 13 HA LEU 408 HA LEU 408 6.389 9.269 2.420 14 HB2 LEU 408 2HB LEU 408 8.134 10.797 2.869 15 HB3 LEU 408 1HB LEU 408 8.269 9.525 4.065 16 HG LEU 408 HG LEU 408 10.476 9.961 3.452 17 HD11 LEU 408 1HD1 LEU 408 11.272 7.961 2.552 18 HD12 LEU 408 2HD1 LEU 408 9.852 7.747 1.529 19 HD13 LEU 408 3HD1 LEU 408 9.722 7.528 3.274 20 HD21 LEU 408 3HD2 LEU 408 11.042 11.002 1.578 21 HD22 LEU 408 1HD2 LEU 408 9.354 10.927 1.074 22 HD23 LEU 408 2HD2 LEU 408 10.473 9.650 0.598 23 H ASP 409 H ASP 409 6.940 10.881 0.719 24 HA ASP 409 HA ASP 409 6.990 9.665 -1.807 25 HB2 ASP 409 2HB ASP 409 6.161 12.034 -1.040 26 HB3 ASP 409 1HB ASP 409 7.792 12.531 -1.480 27 H ASP 410 H ASP 410 8.664 8.594 -2.596 28 HA ASP 410 HA ASP 410 11.378 9.594 -2.117 29 HB2 ASP 410 2HB ASP 410 12.066 7.337 -3.008 30 HB3 ASP 410 1HB ASP 410 11.136 7.295 -1.513 31 H GLY 411 H GLY 411 9.110 10.163 -4.320 32 HA2 GLY 411 2HA GLY 411 10.063 11.526 -6.219 33 HA3 GLY 411 1HA GLY 411 10.989 10.082 -6.598 34 H TYR 412 H TYR 412 8.400 8.604 -5.669 35 HA TYR 412 HA TYR 412 6.909 8.986 -8.180 36 HB2 TYR 412 2HB TYR 412 7.637 6.383 -6.822 37 HB3 TYR 412 1HB TYR 412 6.474 6.513 -8.138 38 HD1 TYR 412 2HD TYR 412 10.020 7.345 -7.315 39 HD2 TYR 412 1HD TYR 412 7.209 6.270 -10.324 40 HE1 TYR 412 2HE TYR 412 11.851 7.139 -8.943 41 HE2 TYR 412 1HE TYR 412 9.033 6.059 -11.959 42 HH TYR 412 HH TYR 412 12.220 7.165 -11.313 43 H ARG 413 H ARG 413 4.654 8.425 -8.098 44 HA ARG 413 HA ARG 413 3.492 9.035 -5.510 45 HB2 ARG 413 2HB ARG 413 2.758 10.005 -7.796 46 HB3 ARG 413 1HB ARG 413 1.929 8.469 -8.015 47 HG2 ARG 413 2HG ARG 413 0.355 10.038 -7.169 48 HG3 ARG 413 1HG ARG 413 0.722 8.895 -5.875 49 HD2 ARG 413 2HD ARG 413 2.396 10.568 -5.021 50 HD3 ARG 413 1HD ARG 413 1.748 11.710 -6.197 51 HE ARG 413 HE ARG 413 -0.370 10.683 -4.674 52 HH11 ARG 413 1HH1 ARG 413 2.415 12.756 -4.311 53 HH12 ARG 413 2HH1 ARG 413 1.709 13.689 -3.035 54 HH21 ARG 413 1HH2 ARG 413 -1.299 11.910 -2.994 55 HH22 ARG 413 2HH2 ARG 413 -0.398 13.209 -2.286 56 H TRP 414 H TRP 414 2.367 7.649 -4.248 57 HA TRP 414 HA TRP 414 1.859 4.946 -5.277 58 HB2 TRP 414 2HB TRP 414 3.057 5.523 -2.561 59 HB3 TRP 414 1HB TRP 414 2.717 3.939 -3.250 60 HD1 TRP 414 HD TRP 414 5.139 6.901 -3.639 61 HE1 TRP 414 1HE TRP 414 7.245 6.075 -4.869 62 HE3 TRP 414 3HE TRP 414 3.595 2.166 -4.788 63 HZ2 TRP 414 2HZ TRP 414 8.132 3.719 -6.160 64 HZ3 TRP 414 3HZ TRP 414 5.128 0.689 -6.024 65 HH2 TRP 414 HH TRP 414 7.350 1.450 -6.699 66 H ARG 415 H ARG 415 0.120 3.851 -4.361 67 HA ARG 415 HA ARG 415 -1.726 5.580 -2.863 68 HB2 ARG 415 2HB ARG 415 -2.505 4.872 -5.084 69 HB3 ARG 415 1HB ARG 415 -2.331 3.187 -4.608 70 HG2 ARG 415 2HG ARG 415 -4.021 3.541 -2.850 71 HG3 ARG 415 1HG ARG 415 -4.227 5.198 -3.418 72 HD2 ARG 415 2HD ARG 415 -4.480 3.002 -5.402 73 HD3 ARG 415 1HD ARG 415 -5.789 3.218 -4.240 74 HE ARG 415 HE ARG 415 -4.971 5.632 -5.592 75 HH11 ARG 415 1HH1 ARG 415 -7.094 2.862 -5.661 76 HH12 ARG 415 2HH1 ARG 415 -8.259 3.625 -6.692 77 HH21 ARG 415 1HH2 ARG 415 -6.498 6.634 -6.946 78 HH22 ARG 415 2HH2 ARG 415 -7.920 5.766 -7.422 79 H LYS 416 H LYS 416 -1.910 5.144 -0.787 80 HA LYS 416 HA LYS 416 -0.985 2.749 0.431 81 HB2 LYS 416 2HB LYS 416 -0.950 4.808 1.680 82 HB3 LYS 416 1HB LYS 416 -2.674 5.047 1.441 83 HG2 LYS 416 2HG LYS 416 -2.919 4.172 3.467 84 HG3 LYS 416 1HG LYS 416 -2.564 2.614 2.723 85 HD2 LYS 416 2HD LYS 416 -1.039 2.657 4.450 86 HD3 LYS 416 1HD LYS 416 -0.081 3.310 3.120 87 HE2 LYS 416 2HE LYS 416 0.225 4.627 5.150 88 HE3 LYS 416 1HE LYS 416 -0.555 5.579 3.887 89 HZ1 LYS 416 3HZ LYS 416 -2.606 5.455 4.967 90 HZ2 LYS 416 1HZ LYS 416 -1.503 5.742 6.217 91 HZ3 LYS 416 2HZ LYS 416 -2.120 4.186 5.973 92 H TYR 417 H TYR 417 -2.073 0.912 0.995 93 HA TYR 417 HA TYR 417 -4.928 0.869 1.160 94 HB2 TYR 417 2HB TYR 417 -5.533 -0.372 -0.735 95 HB3 TYR 417 1HB TYR 417 -4.459 0.886 -1.331 96 HD1 TYR 417 1HD TYR 417 -4.521 -2.699 -0.326 97 HD2 TYR 417 2HD TYR 417 -2.598 0.320 -2.627 98 HE1 TYR 417 1HE TYR 417 -3.142 -4.416 -1.417 99 HE2 TYR 417 2HE TYR 417 -1.212 -1.390 -3.722 100 HH TYR 417 HH TYR 417 -1.853 -4.746 -3.420 101 H GLY 418 H GLY 418 -5.695 -0.659 2.340 102 HA2 GLY 418 2HA GLY 418 -5.896 -2.572 3.597 103 HA3 GLY 418 1HA GLY 418 -4.787 -3.319 2.471 104 H GLN 419 H GLN 419 -4.904 -1.308 5.419 105 HA GLN 419 HA GLN 419 -2.127 -1.798 5.996 106 HB2 GLN 419 2HB GLN 419 -3.387 0.249 6.752 107 HB3 GLN 419 1HB GLN 419 -4.262 -0.778 7.878 108 HG2 GLN 419 2HG GLN 419 -2.664 -0.316 9.342 109 HG3 GLN 419 1HG GLN 419 -1.625 -1.378 8.393 110 HE21 GLN 419 1HE2 GLN 419 -2.664 1.966 8.769 111 HE22 GLN 419 2HE2 GLN 419 -1.209 2.678 8.168 112 H LYS 420 H LYS 420 -1.430 -3.715 6.647 113 HA LYS 420 HA LYS 420 -3.146 -5.319 8.433 114 HB2 LYS 420 2HB LYS 420 -3.069 -6.283 6.170 115 HB3 LYS 420 1HB LYS 420 -1.315 -6.337 6.252 116 HG2 LYS 420 2HG LYS 420 -2.080 -7.716 8.504 117 HG3 LYS 420 1HG LYS 420 -3.296 -8.180 7.313 118 HD2 LYS 420 2HD LYS 420 -1.152 -8.446 5.778 119 HD3 LYS 420 1HD LYS 420 -0.364 -8.679 7.339 120 HE2 LYS 420 2HE LYS 420 -2.282 -10.354 7.789 121 HE3 LYS 420 1HE LYS 420 -2.510 -10.316 6.040 122 HZ1 LYS 420 3HZ LYS 420 -0.053 -10.846 5.907 123 HZ2 LYS 420 1HZ LYS 420 -1.065 -12.092 6.443 124 HZ3 LYS 420 2HZ LYS 420 -0.135 -11.220 7.555 125 H VAL 421 H VAL 421 -2.115 -6.503 10.075 126 HA VAL 421 HA VAL 421 0.584 -5.549 10.703 127 HB VAL 421 HB VAL 421 -1.111 -5.175 12.432 128 HG11 VAL 421 1HG1 VAL 421 -1.703 -7.989 11.899 129 HG12 VAL 421 2HG1 VAL 421 -2.731 -6.716 12.556 130 HG13 VAL 421 3HG1 VAL 421 -1.619 -7.584 13.614 131 HG21 VAL 421 3HG2 VAL 421 0.078 -6.381 14.313 132 HG22 VAL 421 1HG2 VAL 421 1.093 -5.403 13.255 133 HG23 VAL 421 2HG2 VAL 421 1.061 -7.157 13.070 134 H VAL 422 H VAL 422 2.270 -6.941 11.145 135 HA VAL 422 HA VAL 422 1.772 -9.791 10.589 136 HB VAL 422 HB VAL 422 4.114 -9.818 9.605 137 HG11 VAL 422 1HG1 VAL 422 1.770 -8.480 8.305 138 HG12 VAL 422 2HG1 VAL 422 2.390 -10.115 8.073 139 HG13 VAL 422 3HG1 VAL 422 3.274 -8.737 7.421 140 HG21 VAL 422 3HG2 VAL 422 4.823 -7.639 10.493 141 HG22 VAL 422 1HG2 VAL 422 3.640 -6.842 9.455 142 HG23 VAL 422 2HG2 VAL 422 4.988 -7.725 8.738 143 H LYS 423 H LYS 423 2.881 -11.292 11.771 144 HA LYS 423 HA LYS 423 3.972 -10.412 14.285 145 HB2 LYS 423 2HB LYS 423 4.078 -12.796 14.823 146 HB3 LYS 423 1HB LYS 423 2.499 -12.372 14.178 147 HG2 LYS 423 2HG LYS 423 4.335 -13.228 12.102 148 HG3 LYS 423 1HG LYS 423 4.106 -14.454 13.351 149 HD2 LYS 423 2HD LYS 423 1.603 -14.012 13.070 150 HD3 LYS 423 1HD LYS 423 2.043 -13.165 11.586 151 HE2 LYS 423 2HE LYS 423 3.402 -15.416 11.178 152 HE3 LYS 423 1HE LYS 423 2.147 -16.060 12.234 153 HZ1 LYS 423 3HZ LYS 423 0.608 -15.865 10.645 154 HZ2 LYS 423 1HZ LYS 423 1.911 -15.754 9.571 155 HZ3 LYS 423 2HZ LYS 423 1.157 -14.349 10.134 156 H GLY 424 H GLY 424 6.001 -11.905 14.998 157 HA2 GLY 424 2HA GLY 424 8.261 -12.314 14.728 158 HA3 GLY 424 1HA GLY 424 7.981 -12.364 12.992 159 H ASN 425 H ASN 425 6.681 -9.617 13.416 160 HA ASN 425 HA ASN 425 8.917 -7.879 13.958 161 HB2 ASN 425 2HB ASN 425 9.173 -8.494 11.550 162 HB3 ASN 425 1HB ASN 425 7.539 -7.915 11.252 163 HD21 ASN 425 1HD2 ASN 425 7.133 -5.715 11.232 164 HD22 ASN 425 2HD2 ASN 425 8.399 -4.542 11.143 165 HA PRO 426 HA PRO 426 4.395 -7.158 15.560 166 HB2 PRO 426 2HB PRO 426 6.436 -5.690 17.203 167 HB3 PRO 426 1HB PRO 426 4.903 -6.403 17.709 168 HG2 PRO 426 2HG PRO 426 7.287 -7.678 17.996 169 HG3 PRO 426 1HG PRO 426 5.753 -8.533 17.758 170 HD2 PRO 426 2HD PRO 426 8.025 -8.369 15.968 171 HD3 PRO 426 1HD PRO 426 6.538 -9.320 15.782 172 H TYR 427 H TYR 427 4.479 -6.013 13.328 173 HA TYR 427 HA TYR 427 4.081 -3.192 13.886 174 HB2 TYR 427 2HB TYR 427 6.298 -4.146 12.092 175 HB3 TYR 427 1HB TYR 427 5.571 -2.558 11.884 176 HD1 TYR 427 2HD TYR 427 7.446 -4.691 14.271 177 HD2 TYR 427 1HD TYR 427 6.167 -0.752 13.292 178 HE1 TYR 427 2HE TYR 427 8.954 -3.781 15.985 179 HE2 TYR 427 1HE TYR 427 7.670 0.167 15.007 180 HH TYR 427 HH TYR 427 10.159 -1.412 16.312 181 HA PRO 428 HA PRO 428 1.111 -3.732 10.655 182 HB2 PRO 428 2HB PRO 428 0.300 -1.204 10.361 183 HB3 PRO 428 1HB PRO 428 -0.015 -2.092 11.857 184 HG2 PRO 428 2HG PRO 428 2.080 -0.040 11.273 185 HG3 PRO 428 1HG PRO 428 1.104 -0.262 12.736 186 HD2 PRO 428 2HD PRO 428 3.710 -1.144 12.422 187 HD3 PRO 428 1HD PRO 428 2.555 -1.788 13.605 188 H ARG 429 H ARG 429 1.343 -3.980 8.513 189 HA ARG 429 HA ARG 429 3.380 -2.387 7.145 190 HB2 ARG 429 2HB ARG 429 3.594 -4.121 5.586 191 HB3 ARG 429 1HB ARG 429 3.366 -4.954 7.117 192 HG2 ARG 429 2HG ARG 429 0.884 -5.040 6.465 193 HG3 ARG 429 1HG ARG 429 1.445 -4.640 4.841 194 HD2 ARG 429 2HD ARG 429 2.046 -7.076 6.489 195 HD3 ARG 429 1HD ARG 429 1.323 -6.983 4.885 196 HE ARG 429 HE ARG 429 4.051 -6.020 5.102 197 HH11 ARG 429 1HH1 ARG 429 1.951 -8.703 4.336 198 HH12 ARG 429 2HH1 ARG 429 3.146 -9.525 3.390 199 HH21 ARG 429 1HH2 ARG 429 5.619 -7.103 3.860 200 HH22 ARG 429 2HH2 ARG 429 5.226 -8.618 3.120 201 H SER 430 H SER 430 2.901 -1.879 4.819 202 HA SER 430 HA SER 430 0.074 -1.265 4.349 203 HB2 SER 430 2HB SER 430 2.225 0.777 3.791 204 HB3 SER 430 1HB SER 430 0.477 1.012 3.827 205 HG SER 430 HG SER 430 0.703 0.385 6.142 206 H TYR 431 H TYR 431 -0.510 -1.158 2.147 207 HA TYR 431 HA TYR 431 1.553 -2.243 0.353 208 HB2 TYR 431 2HB TYR 431 -1.450 -2.403 0.042 209 HB3 TYR 431 1HB TYR 431 -0.248 -3.185 -0.976 210 HD1 TYR 431 1HD TYR 431 -1.095 -2.991 2.669 211 HD2 TYR 431 2HD TYR 431 0.087 -5.429 -0.612 212 HE1 TYR 431 1HE TYR 431 -1.133 -4.967 4.130 213 HE2 TYR 431 2HE TYR 431 0.046 -7.413 0.840 214 HH TYR 431 HH TYR 431 -1.198 -8.056 3.045 215 H TYR 432 H TYR 432 2.483 -0.463 -0.492 216 HA TYR 432 HA TYR 432 0.791 1.646 -1.609 217 HB2 TYR 432 2HB TYR 432 3.676 1.412 -0.855 218 HB3 TYR 432 1HB TYR 432 3.209 2.613 -2.047 219 HD1 TYR 432 1HD TYR 432 1.289 4.232 -1.323 220 HD2 TYR 432 2HD TYR 432 3.609 1.917 1.386 221 HE1 TYR 432 1HE TYR 432 0.694 5.775 0.499 222 HE2 TYR 432 2HE TYR 432 3.026 3.448 3.217 223 HH TYR 432 HH TYR 432 1.492 6.470 2.660 224 H LYS 433 H LYS 433 0.272 1.580 -3.716 225 HA LYS 433 HA LYS 433 2.029 0.043 -5.512 226 HB2 LYS 433 2HB LYS 433 -0.003 -0.252 -6.939 227 HB3 LYS 433 1HB LYS 433 -0.101 -1.033 -5.369 228 HG2 LYS 433 2HG LYS 433 -1.784 0.292 -4.659 229 HG3 LYS 433 1HG LYS 433 -1.188 1.704 -5.531 230 HD2 LYS 433 2HD LYS 433 -2.206 -0.573 -7.139 231 HD3 LYS 433 1HD LYS 433 -3.391 0.401 -6.264 232 HE2 LYS 433 2HE LYS 433 -3.326 1.693 -8.105 233 HE3 LYS 433 1HE LYS 433 -1.862 2.340 -7.367 234 HZ1 LYS 433 3HZ LYS 433 -1.522 -0.043 -8.996 235 HZ2 LYS 433 1HZ LYS 433 -0.552 1.338 -8.880 236 HZ3 LYS 433 2HZ LYS 433 -1.949 1.364 -9.833 237 H CYS 434 H CYS 434 3.189 1.250 -6.843 238 HA CYS 434 HA CYS 434 2.775 3.995 -7.259 239 HB2 CYS 434 2HB CYS 434 4.979 3.294 -7.585 240 HB3 CYS 434 1HB CYS 434 4.502 1.909 -8.557 241 H THR 435 H THR 435 1.838 5.136 -8.870 242 HA THR 435 HA THR 435 0.385 3.625 -10.942 243 HB THR 435 HB THR 435 -1.448 5.187 -10.824 244 HG1 THR 435 1HG THR 435 -1.339 6.809 -9.053 245 HG21 THR 435 3HG2 THR 435 -1.070 3.297 -9.004 246 HG22 THR 435 1HG2 THR 435 -2.441 4.404 -8.910 247 HG23 THR 435 2HG2 THR 435 -1.009 4.686 -7.919 248 H THR 436 H THR 436 0.362 4.573 -13.036 249 HA THR 436 HA THR 436 1.294 7.189 -13.538 250 HB THR 436 HB THR 436 3.207 5.103 -14.536 251 HG1 THR 436 1HG THR 436 3.445 6.584 -12.115 252 HG21 THR 436 3HG2 THR 436 3.639 7.006 -15.718 253 HG22 THR 436 1HG2 THR 436 4.660 7.303 -14.313 254 HG23 THR 436 2HG2 THR 436 3.075 8.066 -14.424 255 HA PRO 437 HA PRO 437 -1.212 6.345 -17.109 256 HB2 PRO 437 2HB PRO 437 0.760 8.118 -18.483 257 HB3 PRO 437 1HB PRO 437 -1.006 8.178 -18.495 258 HG2 PRO 437 2HG PRO 437 0.388 9.896 -17.022 259 HG3 PRO 437 1HG PRO 437 -1.119 9.189 -16.407 260 HD2 PRO 437 2HD PRO 437 1.705 8.564 -15.686 261 HD3 PRO 437 1HD PRO 437 0.248 8.546 -14.673 262 H GLY 438 H GLY 438 -0.436 4.112 -17.225 263 HA2 GLY 438 2HA GLY 438 0.096 2.719 -19.167 264 HA3 GLY 438 1HA GLY 438 1.483 3.759 -19.440 265 H CYS 439 H CYS 439 1.339 3.387 -16.167 266 HA CYS 439 HA CYS 439 2.802 0.847 -16.184 267 HB2 CYS 439 2HB CYS 439 4.679 2.147 -16.189 268 HB3 CYS 439 1HB CYS 439 3.873 3.516 -15.450 269 H GLY 440 H GLY 440 2.928 -0.241 -14.240 270 HA2 GLY 440 2HA GLY 440 1.465 0.770 -11.927 271 HA3 GLY 440 1HA GLY 440 0.800 -0.658 -12.706 272 H VAL 441 H VAL 441 3.011 0.496 -10.426 273 HA VAL 441 HA VAL 441 4.215 -2.185 -10.174 274 HB VAL 441 HB VAL 441 5.501 0.519 -9.852 275 HG11 VAL 441 1HG1 VAL 441 6.069 -0.615 -7.814 276 HG12 VAL 441 2HG1 VAL 441 7.472 -0.651 -8.882 277 HG13 VAL 441 3HG1 VAL 441 6.471 -2.090 -8.694 278 HG21 VAL 441 3HG2 VAL 441 7.299 -0.685 -11.175 279 HG22 VAL 441 1HG2 VAL 441 5.787 -0.345 -12.017 280 HG23 VAL 441 2HG2 VAL 441 6.112 -1.969 -11.412 281 H ARG 442 H ARG 442 4.765 -2.822 -7.958 282 HA ARG 442 HA ARG 442 3.281 -1.319 -5.916 283 HB2 ARG 442 2HB ARG 442 3.044 -4.179 -6.700 284 HB3 ARG 442 1HB ARG 442 2.954 -3.802 -4.986 285 HG2 ARG 442 2HG ARG 442 0.976 -2.671 -5.194 286 HG3 ARG 442 1HG ARG 442 1.272 -2.240 -6.878 287 HD2 ARG 442 2HD ARG 442 0.447 -4.203 -7.667 288 HD3 ARG 442 1HD ARG 442 0.999 -5.121 -6.266 289 HE ARG 442 HE ARG 442 -1.089 -3.376 -5.518 290 HH11 ARG 442 1HH1 ARG 442 -0.505 -6.343 -7.257 291 HH12 ARG 442 2HH1 ARG 442 -2.095 -6.968 -6.973 292 HH21 ARG 442 1HH2 ARG 442 -3.181 -4.195 -5.145 293 HH22 ARG 442 2HH2 ARG 442 -3.615 -5.749 -5.775 294 H LYS 443 H LYS 443 3.986 -1.747 -3.713 295 HA LYS 443 HA LYS 443 6.519 -3.081 -3.328 296 HB2 LYS 443 2HB LYS 443 7.741 -1.172 -2.525 297 HB3 LYS 443 1HB LYS 443 7.166 -0.825 -4.147 298 HG2 LYS 443 2HG LYS 443 5.755 0.807 -3.451 299 HG3 LYS 443 1HG LYS 443 5.465 0.036 -1.892 300 HD2 LYS 443 2HD LYS 443 7.430 0.874 -0.969 301 HD3 LYS 443 1HD LYS 443 8.148 1.193 -2.550 302 HE2 LYS 443 2HE LYS 443 6.075 2.825 -2.752 303 HE3 LYS 443 1HE LYS 443 6.177 2.785 -0.992 304 HZ1 LYS 443 3HZ LYS 443 7.516 4.530 -2.369 305 HZ2 LYS 443 1HZ LYS 443 8.627 3.265 -2.531 306 HZ3 LYS 443 2HZ LYS 443 8.197 3.820 -0.993 307 H HIS 444 H HIS 444 7.117 -3.231 -1.061 308 HA HIS 444 HA HIS 444 4.766 -2.962 0.697 309 HB2 HIS 444 2HB HIS 444 6.923 -5.041 0.528 310 HB3 HIS 444 1HB HIS 444 6.060 -4.785 2.042 311 HD1 HIS 444 1HD HIS 444 5.537 -5.971 -1.483 312 HD2 HIS 444 2HD HIS 444 3.470 -5.774 2.114 313 HE1 HIS 444 1HE HIS 444 3.472 -7.366 -1.819 314 HE2 HIS 444 2HE HIS 444 2.275 -7.295 0.397 315 H VAL 445 H VAL 445 4.992 -2.090 2.729 316 HA VAL 445 HA VAL 445 7.644 -1.000 3.409 317 HB VAL 445 HB VAL 445 5.005 0.420 3.792 318 HG11 VAL 445 1HG1 VAL 445 7.680 1.717 4.035 319 HG12 VAL 445 2HG1 VAL 445 7.034 0.796 5.393 320 HG13 VAL 445 3HG1 VAL 445 6.138 2.174 4.756 321 HG21 VAL 445 3HG2 VAL 445 5.489 1.769 1.960 322 HG22 VAL 445 1HG2 VAL 445 5.941 0.157 1.409 323 HG23 VAL 445 2HG2 VAL 445 7.186 1.292 1.932 324 H GLU 446 H GLU 446 8.339 -1.713 5.314 325 HA GLU 446 HA GLU 446 6.403 -2.172 7.473 326 HB2 GLU 446 2HB GLU 446 8.450 -4.098 6.411 327 HB3 GLU 446 1HB GLU 446 7.909 -4.190 8.080 328 HG2 GLU 446 2HG GLU 446 6.480 -5.665 7.113 329 HG3 GLU 446 1HG GLU 446 5.532 -4.185 6.969 330 H ARG 447 H ARG 447 7.276 -2.025 9.598 331 HA ARG 447 HA ARG 447 9.719 -0.402 9.710 332 HB2 ARG 447 2HB ARG 447 7.406 -0.715 11.619 333 HB3 ARG 447 1HB ARG 447 8.882 0.142 12.044 334 HG2 ARG 447 2HG ARG 447 7.982 1.973 11.189 335 HG3 ARG 447 1HG ARG 447 8.090 1.222 9.596 336 HD2 ARG 447 2HD ARG 447 5.814 0.126 10.823 337 HD3 ARG 447 1HD ARG 447 5.764 1.854 11.163 338 HE ARG 447 HE ARG 447 5.226 0.614 8.690 339 HH11 ARG 447 1HH1 ARG 447 6.831 3.408 10.031 340 HH12 ARG 447 2HH1 ARG 447 6.593 4.382 8.618 341 HH21 ARG 447 1HH2 ARG 447 4.910 1.897 6.826 342 HH22 ARG 447 2HH2 ARG 447 5.503 3.525 6.799 343 H ALA 448 H ALA 448 11.527 -1.382 10.287 344 HA ALA 448 HA ALA 448 12.019 -3.919 10.951 345 HB1 ALA 448 1HB ALA 448 13.480 -1.594 12.189 346 HB2 ALA 448 2HB ALA 448 13.741 -2.212 10.557 347 HB3 ALA 448 3HB ALA 448 14.105 -3.227 11.955 348 H ALA 449 H ALA 449 11.798 -5.294 12.560 349 HA ALA 449 HA ALA 449 10.145 -4.753 14.773 350 HB1 ALA 449 1HB ALA 449 10.924 -7.014 13.543 351 HB2 ALA 449 2HB ALA 449 10.186 -6.975 15.142 352 HB3 ALA 449 3HB ALA 449 11.938 -7.082 14.983 353 H THR 450 H THR 450 13.450 -4.093 14.332 354 HA THR 450 HA THR 450 13.806 -3.838 17.246 355 HB THR 450 HB THR 450 16.362 -3.881 16.418 356 HG1 THR 450 1HG THR 450 15.006 -5.668 14.655 357 HG21 THR 450 3HG2 THR 450 15.546 -5.291 18.174 358 HG22 THR 450 1HG2 THR 450 16.353 -6.322 16.993 359 HG23 THR 450 2HG2 THR 450 14.592 -6.246 17.038 360 H ASP 451 H ASP 451 12.831 -1.936 15.083 361 HA ASP 451 HA ASP 451 13.994 0.407 16.101 362 HB2 ASP 451 2HB ASP 451 15.824 -0.618 14.522 363 HB3 ASP 451 1HB ASP 451 14.812 0.045 13.243 364 HA PRO 452 HA PRO 452 9.913 1.060 14.164 365 HB2 PRO 452 2HB PRO 452 9.279 3.210 15.719 366 HB3 PRO 452 1HB PRO 452 9.028 1.536 16.221 367 HG2 PRO 452 2HG PRO 452 11.262 3.405 16.907 368 HG3 PRO 452 1HG PRO 452 10.383 2.278 17.957 369 HD2 PRO 452 2HD PRO 452 12.824 1.705 16.970 370 HD3 PRO 452 1HD PRO 452 11.592 0.451 17.222 371 H LYS 453 H LYS 453 12.722 3.016 14.374 372 HA LYS 453 HA LYS 453 11.597 5.161 12.767 373 HB2 LYS 453 2HB LYS 453 13.617 6.336 13.129 374 HB3 LYS 453 1HB LYS 453 13.248 5.541 14.652 375 HG2 LYS 453 2HG LYS 453 14.895 3.843 14.225 376 HG3 LYS 453 1HG LYS 453 15.190 4.485 12.607 377 HD2 LYS 453 2HD LYS 453 16.863 5.621 13.579 378 HD3 LYS 453 1HD LYS 453 15.589 6.688 14.173 379 HE2 LYS 453 2HE LYS 453 16.763 6.180 16.103 380 HE3 LYS 453 1HE LYS 453 15.439 5.017 16.141 381 HZ1 LYS 453 3HZ LYS 453 17.122 3.508 14.922 382 HZ2 LYS 453 1HZ LYS 453 17.263 3.716 16.595 383 HZ3 LYS 453 2HZ LYS 453 18.285 4.564 15.548 384 H ALA 454 H ALA 454 13.239 2.195 12.290 385 HA ALA 454 HA ALA 454 14.206 2.977 9.643 386 HB1 ALA 454 1HB ALA 454 15.561 1.097 9.672 387 HB2 ALA 454 2HB ALA 454 14.517 0.236 10.802 388 HB3 ALA 454 3HB ALA 454 15.529 1.563 11.372 389 H VAL 455 H VAL 455 13.279 2.301 7.779 390 HA VAL 455 HA VAL 455 10.964 0.489 8.008 391 HB VAL 455 HB VAL 455 11.232 2.729 6.006 392 HG11 VAL 455 1HG1 VAL 455 8.969 2.303 5.461 393 HG12 VAL 455 2HG1 VAL 455 8.767 1.217 6.837 394 HG13 VAL 455 3HG1 VAL 455 9.778 0.736 5.474 395 HG21 VAL 455 3HG2 VAL 455 9.235 3.550 7.598 396 HG22 VAL 455 1HG2 VAL 455 10.915 4.035 7.825 397 HG23 VAL 455 2HG2 VAL 455 10.239 2.720 8.788 398 H VAL 456 H VAL 456 10.627 -1.016 6.403 399 HA VAL 456 HA VAL 456 12.911 -1.480 4.609 400 HB VAL 456 HB VAL 456 12.568 -3.752 4.733 401 HG11 VAL 456 1HG1 VAL 456 11.205 -3.496 7.316 402 HG12 VAL 456 2HG1 VAL 456 12.622 -2.462 7.123 403 HG13 VAL 456 3HG1 VAL 456 12.770 -4.207 6.920 404 HG21 VAL 456 3HG2 VAL 456 10.409 -4.062 3.916 405 HG22 VAL 456 1HG2 VAL 456 9.680 -3.110 5.209 406 HG23 VAL 456 2HG2 VAL 456 10.320 -4.716 5.553 407 H THR 457 H THR 457 12.600 -1.674 2.394 408 HA THR 457 HA THR 457 9.836 -1.429 1.442 409 HB THR 457 HB THR 457 11.910 0.075 -0.064 410 HG1 THR 457 1HG THR 457 10.779 0.866 2.421 411 HG21 THR 457 3HG2 THR 457 9.552 -0.200 -0.841 412 HG22 THR 457 1HG2 THR 457 10.032 1.484 -0.615 413 HG23 THR 457 2HG2 THR 457 9.026 0.686 0.592 414 H THR 458 H THR 458 9.326 -2.863 -0.035 415 HA THR 458 HA THR 458 11.478 -4.106 -1.622 416 HB THR 458 HB THR 458 8.872 -5.508 -1.368 417 HG1 THR 458 1HG THR 458 8.988 -5.665 0.731 418 HG21 THR 458 3HG2 THR 458 10.875 -6.326 -2.665 419 HG22 THR 458 1HG2 THR 458 10.225 -7.464 -1.485 420 HG23 THR 458 2HG2 THR 458 11.689 -6.552 -1.116 421 H TYR 459 H TYR 459 11.361 -3.785 -3.778 422 HA TYR 459 HA TYR 459 8.919 -2.543 -4.818 423 HB2 TYR 459 2HB TYR 459 11.793 -2.455 -5.626 424 HB3 TYR 459 1HB TYR 459 10.557 -2.144 -6.841 425 HD1 TYR 459 1HD TYR 459 10.714 -1.200 -3.237 426 HD2 TYR 459 2HD TYR 459 10.599 0.136 -7.274 427 HE1 TYR 459 1HE TYR 459 10.546 1.126 -2.456 428 HE2 TYR 459 2HE TYR 459 10.431 2.467 -6.503 429 HH TYR 459 HH TYR 459 10.960 3.796 -4.526 430 H GLU 460 H GLU 460 7.564 -3.646 -6.012 431 HA GLU 460 HA GLU 460 8.546 -6.009 -7.473 432 HB2 GLU 460 2HB GLU 460 5.844 -5.594 -6.175 433 HB3 GLU 460 1HB GLU 460 6.288 -6.982 -7.159 434 HG2 GLU 460 2HG GLU 460 6.982 -7.989 -5.319 435 HG3 GLU 460 1HG GLU 460 8.274 -6.796 -5.207 436 H GLY 461 H GLY 461 8.704 -5.364 -9.539 437 HA2 GLY 461 2HA GLY 461 7.333 -5.186 -11.572 438 HA3 GLY 461 1HA GLY 461 6.351 -4.011 -10.712 439 H LYS 462 H LYS 462 8.117 -4.026 -13.230 440 HA LYS 462 HA LYS 462 10.053 -1.951 -12.623 441 HB2 LYS 462 2HB LYS 462 10.631 -3.708 -14.227 442 HB3 LYS 462 1HB LYS 462 9.277 -3.240 -15.246 443 HG2 LYS 462 2HG LYS 462 11.042 -1.010 -14.680 444 HG3 LYS 462 1HG LYS 462 11.881 -2.353 -15.455 445 HD2 LYS 462 2HD LYS 462 10.035 -2.377 -17.165 446 HD3 LYS 462 1HD LYS 462 9.456 -0.870 -16.454 447 HE2 LYS 462 2HE LYS 462 12.079 -0.296 -16.816 448 HE3 LYS 462 1HE LYS 462 11.788 -1.386 -18.171 449 HZ1 LYS 462 3HZ LYS 462 10.420 1.171 -17.568 450 HZ2 LYS 462 1HZ LYS 462 9.813 0.057 -18.688 451 HZ3 LYS 462 2HZ LYS 462 11.324 0.773 -18.941 452 H HIS 463 H HIS 463 10.004 0.158 -13.453 453 HA HIS 463 HA HIS 463 7.324 1.200 -13.872 454 HB2 HIS 463 2HB HIS 463 9.986 2.598 -13.536 455 HB3 HIS 463 1HB HIS 463 8.441 3.425 -13.713 456 HD2 HIS 463 2HD HIS 463 10.660 2.166 -10.956 457 HE1 HIS 463 1HE HIS 463 6.780 2.439 -9.262 458 HE2 HIS 463 2HE HIS 463 9.231 2.094 -8.801 459 H ASN 464 H ASN 464 6.498 1.608 -15.802 460 HA ASN 464 HA ASN 464 8.296 1.659 -18.120 461 HB2 ASN 464 2HB ASN 464 6.026 0.174 -17.659 462 HB3 ASN 464 1HB ASN 464 5.418 1.490 -18.658 463 HD21 ASN 464 1HD2 ASN 464 5.139 -0.744 -19.842 464 HD22 ASN 464 2HD2 ASN 464 6.361 -1.067 -21.021 465 H HIS 465 H HIS 465 8.444 4.017 -16.917 466 HA HIS 465 HA HIS 465 7.198 5.781 -18.824 467 HB2 HIS 465 2HB HIS 465 6.237 7.273 -17.026 468 HB3 HIS 465 1HB HIS 465 5.415 5.736 -17.230 469 HD1 HIS 465 1HD HIS 465 7.090 7.797 -14.695 470 HD2 HIS 465 2HD HIS 465 5.985 3.822 -15.147 471 HE1 HIS 465 1HE HIS 465 7.233 6.804 -12.394 472 H ASP 466 H ASP 466 7.939 7.670 -16.210 473 HA ASP 466 HA ASP 466 10.806 7.671 -16.500 474 HB2 ASP 466 2HB ASP 466 9.568 9.225 -18.284 475 HB3 ASP 466 1HB ASP 466 9.490 10.323 -16.909 476 H LEU 467 H LEU 467 11.729 9.405 -14.930 477 HA LEU 467 HA LEU 467 10.321 9.047 -12.459 478 HB2 LEU 467 2HB LEU 467 12.855 9.036 -12.769 479 HB3 LEU 467 1HB LEU 467 12.737 10.789 -12.805 480 HG LEU 467 HG LEU 467 11.421 9.421 -10.530 481 HD11 LEU 467 1HD1 LEU 467 13.900 8.526 -11.120 482 HD12 LEU 467 2HD1 LEU 467 13.232 8.632 -9.491 483 HD13 LEU 467 3HD1 LEU 467 14.278 9.916 -10.100 484 HD21 LEU 467 3HD2 LEU 467 12.223 11.367 -9.331 485 HD22 LEU 467 1HD2 LEU 467 11.387 11.854 -10.806 486 HD23 LEU 467 2HD2 LEU 467 13.150 11.880 -10.741 487 HA PRO 468 HA PRO 468 7.898 12.761 -12.679 488 HB2 PRO 468 2HB PRO 468 7.728 12.489 -9.741 489 HB3 PRO 468 1HB PRO 468 6.437 12.502 -10.946 490 HG2 PRO 468 2HG PRO 468 7.137 10.249 -9.686 491 HG3 PRO 468 1HG PRO 468 6.643 10.243 -11.389 492 HD2 PRO 468 2HD PRO 468 9.400 10.095 -10.216 493 HD3 PRO 468 1HD PRO 468 8.705 9.211 -11.591 494 H ALA 469 H ALA 469 10.014 13.873 -13.161 495 HA ALA 469 HA ALA 469 11.344 15.138 -10.927 496 HB1 ALA 469 1HB ALA 469 12.770 16.168 -12.612 497 HB2 ALA 469 2HB ALA 469 11.713 15.568 -13.891 498 HB3 ALA 469 3HB ALA 469 12.622 14.433 -12.894 499 H5' DC 3 H5' DC 3 -8.053 11.010 -12.699 500 H5'' DC 3 H5" DC 3 -7.380 9.389 -12.956 501 H4' DC 3 H4' DC 3 -5.964 10.573 -11.458 502 H3' DC 3 H3' DC 3 -6.783 8.090 -10.825 503 H2' DC 3 H2' DC 3 -8.635 8.650 -9.415 504 H2'' DC 3 H2" DC 3 -7.348 8.565 -8.221 505 H1' DC 3 H1' DC 3 -7.031 10.931 -8.183 506 H41 DC 3 1H4 DC 3 -12.687 13.103 -6.368 507 H42 DC 3 2H4 DC 3 -13.527 12.050 -7.484 508 H5 DC 3 5H DC 3 -12.373 10.562 -9.007 509 H6 DC 3 6H DC 3 -10.187 9.792 -9.770 510 H5' DC 4 H5' DC 4 -3.671 9.852 -7.225 511 H5'' DC 4 H5" DC 4 -3.323 8.426 -6.225 512 H4' DC 4 H4' DC 4 -4.162 10.709 -5.200 513 H3' DC 4 H3' DC 4 -4.112 8.056 -4.207 514 H2' DC 4 H2' DC 4 -6.434 7.739 -3.994 515 H2'' DC 4 H2" DC 4 -6.273 8.828 -2.623 516 H1' DC 4 H1' DC 4 -6.860 10.759 -3.889 517 H41 DC 4 1H4 DC 4 -12.827 9.093 -5.210 518 H42 DC 4 2H4 DC 4 -12.303 7.954 -6.428 519 H5 DC 4 5H DC 4 -9.970 7.513 -6.905 520 H6 DC 4 6H DC 4 -7.673 8.081 -6.311 521 H5' DT 5 H5' DT 5 -3.757 10.929 -0.201 522 H5'' DT 5 H5" DT 5 -2.667 9.932 0.785 523 H4' DT 5 H4' DT 5 -4.728 10.675 1.948 524 H3' DT 5 H3' DT 5 -3.534 8.183 2.172 525 H2' DT 5 H2' DT 5 -5.174 6.895 1.046 526 H2'' DT 5 H2" DT 5 -5.968 6.992 2.611 527 H1' DT 5 H1' DT 5 -7.332 8.848 1.970 528 H3 DT 5 3H DT 5 -10.515 7.561 -0.922 529 H71 DT 5 1H7 DT 5 -7.573 5.424 -3.667 530 H72 DT 5 2H7 DT 5 -5.975 6.020 -3.154 531 H73 DT 5 3H7 DT 5 -6.683 4.587 -2.373 532 H6 DT 5 6H DT 5 -5.799 6.884 -0.760 533 H5' DT 6 H5' DT 6 -6.346 8.600 5.437 534 H5'' DT 6 H5" DT 6 -5.763 8.534 7.115 535 H4' DT 6 H4' DT 6 -7.080 6.798 7.440 536 H3' DT 6 H3' DT 6 -5.086 5.500 5.636 537 H2' DT 6 H2' DT 6 -6.579 3.803 5.014 538 H2'' DT 6 H2" DT 6 -7.345 3.792 6.594 539 H1' DT 6 H1' DT 6 -9.022 5.182 5.914 540 H3 DT 6 3H DT 6 -11.066 4.984 1.944 541 H71 DT 6 1H7 DT 6 -6.342 3.277 0.831 542 H72 DT 6 2H7 DT 6 -7.176 4.310 -0.353 543 H73 DT 6 3H7 DT 6 -5.945 5.008 0.726 544 H6 DT 6 6H DT 6 -6.494 4.754 3.281 545 H5' DT 7 H5' DT 7 -6.879 3.340 9.787 546 H5'' DT 7 H5" DT 7 -6.321 1.654 9.757 547 H4' DT 7 H4' DT 7 -8.914 2.445 9.782 548 H3' DT 7 H3' DT 7 -7.750 0.013 9.848 549 H2' DT 7 H2' DT 7 -7.404 -0.287 7.496 550 H2'' DT 7 H2" DT 7 -8.994 -1.016 7.679 551 H1' DT 7 H1' DT 7 -10.136 0.961 6.953 552 H3 DT 7 3H DT 7 -9.556 1.156 2.545 553 H71 DT 7 1H7 DT 7 -5.070 2.010 2.864 554 H72 DT 7 2H7 DT 7 -4.698 0.707 4.018 555 H73 DT 7 3H7 DT 7 -4.825 2.388 4.586 556 H6 DT 7 6H DT 7 -6.524 1.392 6.219 557 H5' DG 8 H5' DG 8 -12.734 -0.438 9.366 558 H5'' DG 8 H5" DG 8 -12.893 -1.504 10.777 559 H4' DG 8 H4' DG 8 -14.546 -2.026 9.076 560 H3' DG 8 H3' DG 8 -13.257 -3.938 10.415 561 H2' DG 8 H2' DG 8 -11.409 -4.289 8.935 562 H2'' DG 8 H2" DG 8 -12.540 -5.484 8.313 563 H1' DG 8 H1' DG 8 -13.221 -4.114 6.499 564 H8 DG 8 8H DG 8 -9.878 -3.199 8.144 565 H1 DG 8 1H DG 8 -9.966 -2.889 1.738 566 H21 DG 8 1H2 DG 8 -11.998 -3.213 0.983 567 H22 DG 8 2H2 DG 8 -13.356 -3.510 2.046 568 H5' DA 9 H5' DA 9 -16.035 -5.073 6.969 569 H5'' DA 9 H5" DA 9 -17.249 -6.191 7.625 570 H4' DA 9 H4' DA 9 -17.184 -6.527 5.291 571 H3' DA 9 H3' DA 9 -16.908 -8.670 6.878 572 H2' DA 9 H2' DA 9 -14.511 -8.765 6.936 573 H2'' DA 9 H2" DA 9 -14.848 -9.843 5.590 574 H1' DA 9 H1' DA 9 -14.425 -8.154 3.948 575 H8 DA 9 8H DA 9 -12.856 -7.528 7.412 576 H61 DA 9 2H6 DA 9 -8.333 -6.573 5.902 577 H62 DA 9 1H6 DA 9 -7.606 -6.424 4.316 578 H2 DA 9 2H DA 9 -10.873 -7.111 1.323 579 H5' DC 10 H5' DC 10 -16.307 -8.989 2.359 580 H5'' DC 10 H5" DC 10 -17.837 -9.808 1.982 581 H4' DC 10 H4' DC 10 -16.637 -10.111 0.054 582 H3' DC 10 H3' DC 10 -17.213 -12.414 1.271 583 H2' DC 10 H2' DC 10 -15.223 -12.766 2.532 584 H2'' DC 10 H2" DC 10 -14.752 -13.558 1.038 585 H1' DC 10 H1' DC 10 -13.426 -11.762 0.314 586 H41 DC 10 1H4 DC 10 -9.488 -10.446 5.099 587 H42 DC 10 2H4 DC 10 -10.780 -10.562 6.268 588 H5 DC 10 5H DC 10 -13.080 -11.001 5.664 589 H6 DC 10 6H DC 10 -14.611 -11.413 3.810 590 H5' DC 11 H5' DC 11 -14.603 -12.788 -2.768 591 H5'' DC 11 H5" DC 11 -15.384 -14.124 -3.639 592 H4' DC 11 H4' DC 11 -13.053 -14.059 -4.191 593 H3' DC 11 H3' DC 11 -14.239 -16.384 -3.502 594 H2' DC 11 H2' DC 11 -13.585 -16.440 -1.195 595 H2'' DC 11 H2" DC 11 -12.255 -17.324 -1.930 596 H1' DC 11 H1' DC 11 -10.831 -15.386 -1.997 597 H41 DC 11 1H4 DC 11 -10.184 -14.055 4.159 598 H42 DC 11 2H4 DC 11 -11.908 -14.154 4.425 599 H5 DC 11 5H DC 11 -13.496 -14.608 2.660 600 H6 DC 11 6H DC 11 -13.756 -15.055 0.277 601 H5' DA 12 H5' DA 12 -9.857 -16.329 -3.855 602 H5'' DA 12 H5" DA 12 -9.582 -16.919 -5.508 603 H4' DA 12 H4' DA 12 -7.513 -17.277 -4.701 604 H3' DA 12 H3' DA 12 -8.727 -19.644 -4.955 605 H2' DA 12 H2' DA 12 -9.618 -19.819 -2.733 606 H2'' DA 12 H2" DA 12 -8.109 -20.699 -2.558 607 H1' DA 12 H1' DA 12 -6.966 -18.819 -1.603 608 H8 DA 12 8H DA 12 -10.810 -18.678 -1.390 609 H61 DA 12 2H6 DA 12 -11.155 -17.754 3.374 610 H62 DA 12 1H6 DA 12 -9.967 -17.457 4.624 611 H2 DA 12 2H DA 12 -5.940 -17.644 2.659 612 H5' DT 21 H5' DT 21 -3.149 -17.656 9.887 613 H5'' DT 21 H5" DT 21 -1.986 -18.996 9.951 614 H4' DT 21 H4' DT 21 -0.759 -18.192 8.156 615 H3' DT 21 H3' DT 21 -0.997 -15.657 9.000 616 H2' DT 21 H2' DT 21 -3.289 -15.279 8.409 617 H2'' DT 21 H2" DT 21 -2.486 -14.723 6.948 618 H1' DT 21 H1' DT 21 -2.873 -16.772 5.783 619 H3 DT 21 3H DT 21 -7.210 -17.067 4.811 620 H71 DT 21 1H7 DT 21 -7.239 -17.224 10.026 621 H72 DT 21 2H7 DT 21 -8.577 -16.503 9.101 622 H73 DT 21 3H7 DT 21 -7.262 -15.472 9.713 623 H6 DT 21 6H DT 21 -4.854 -16.433 8.892 624 H5' DG 22 H5' DG 22 0.055 -15.840 4.674 625 H5'' DG 22 H5" DG 22 1.467 -14.922 4.113 626 H4' DG 22 H4' DG 22 0.011 -14.399 2.461 627 H3' DG 22 H3' DG 22 -0.333 -12.313 4.572 628 H2' DG 22 H2' DG 22 -2.318 -11.509 3.602 629 H2'' DG 22 H2" DG 22 -1.806 -11.952 1.980 630 H1' DG 22 H1' DG 22 -2.956 -13.920 2.079 631 H8 DG 22 8H DG 22 -2.963 -13.115 5.873 632 H1 DG 22 1H DG 22 -8.690 -14.108 3.161 633 H21 DG 22 1H2 DG 22 -8.472 -14.471 1.045 634 H22 DG 22 2H2 DG 22 -6.944 -14.490 0.212 635 H5' DG 23 H5' DG 23 0.187 -11.309 -0.269 636 H5'' DG 23 H5" DG 23 0.192 -9.536 -0.370 637 H4' DG 23 H4' DG 23 -1.511 -11.104 -1.712 638 H3' DG 23 H3' DG 23 -1.286 -8.408 -1.501 639 H2' DG 23 H2' DG 23 -2.693 -8.066 0.399 640 H2'' DG 23 H2" DG 23 -3.895 -7.971 -0.881 641 H1' DG 23 H1' DG 23 -4.577 -10.245 -0.607 642 H8 DG 23 8H DG 23 -2.509 -9.486 2.585 643 H1 DG 23 1H DG 23 -8.788 -10.468 3.446 644 H21 DG 23 1H2 DG 23 -9.771 -10.793 1.555 645 H22 DG 23 2H2 DG 23 -8.955 -10.789 0.017 646 H5' DT 24 H5' DT 24 -4.917 -9.046 -4.017 647 H5'' DT 24 H5" DT 24 -4.797 -8.392 -5.665 648 H4' DT 24 H4' DT 24 -6.707 -7.364 -5.135 649 H3' DT 24 H3' DT 24 -4.632 -5.573 -3.934 650 H2' DT 24 H2' DT 24 -6.262 -4.379 -2.715 651 H2'' DT 24 H2" DT 24 -7.534 -4.751 -3.868 652 H1' DT 24 H1' DT 24 -8.224 -6.503 -2.578 653 H3 DT 24 3H DT 24 -8.107 -6.529 1.866 654 H71 DT 24 1H7 DT 24 -3.657 -4.602 1.407 655 H72 DT 24 2H7 DT 24 -3.054 -5.715 0.157 656 H73 DT 24 3H7 DT 24 -3.407 -6.320 1.792 657 H6 DT 24 6H DT 24 -4.749 -5.850 -1.453 658 H5' DC 25 H5' DC 25 -8.346 -4.393 -7.184 659 H5'' DC 25 H5" DC 25 -8.340 -2.620 -7.288 660 H4' DC 25 H4' DC 25 -10.518 -4.122 -6.759 661 H3' DC 25 H3' DC 25 -10.187 -1.472 -7.032 662 H2' DC 25 H2' DC 25 -9.406 -0.956 -4.829 663 H2'' DC 25 H2" DC 25 -11.135 -0.738 -4.606 664 H1' DC 25 H1' DC 25 -11.428 -2.893 -3.625 665 H41 DC 25 1H4 DC 25 -7.692 -2.472 1.461 666 H42 DC 25 2H4 DC 25 -6.275 -2.178 0.474 667 H5 DC 25 5H DC 25 -6.344 -2.034 -1.930 668 H6 DC 25 6H DC 25 -7.776 -2.213 -3.897 669 H5' DA 26 H5' DA 26 -14.789 -2.567 -4.736 670 H5'' DA 26 H5" DA 26 -15.548 -1.475 -5.913 671 H4' DA 26 H4' DA 26 -16.599 -1.486 -3.656 672 H3' DA 26 H3' DA 26 -16.468 0.636 -5.280 673 H2' DA 26 H2' DA 26 -14.401 1.578 -4.519 674 H2'' DA 26 H2" DA 26 -15.537 2.436 -3.488 675 H1' DA 26 H1' DA 26 -15.149 1.011 -1.623 676 H8 DA 26 8H DA 26 -12.405 1.078 -4.315 677 H61 DA 26 2H6 DA 26 -8.584 1.439 -1.331 678 H62 DA 26 1H6 DA 26 -8.415 1.390 0.410 679 H2 DA 26 2H DA 26 -12.526 0.797 2.096 680 H5' DA 27 H5' DA 27 -18.992 1.612 -0.810 681 H5'' DA 27 H5" DA 27 -20.244 2.366 -1.821 682 H4' DA 27 H4' DA 27 -20.148 3.328 0.426 683 H3' DA 27 H3' DA 27 -20.595 4.800 -1.741 684 H2' DA 27 H2' DA 27 -18.355 5.381 -2.332 685 H2'' DA 27 H2" DA 27 -18.752 6.744 -1.292 686 H1' DA 27 H1' DA 27 -17.564 5.880 0.550 687 H8 DA 27 8H DA 27 -16.649 4.572 -2.909 688 H61 DA 27 2H6 DA 27 -11.846 4.216 -2.259 689 H62 DA 27 1H6 DA 27 -10.809 4.387 -0.860 690 H2 DA 27 2H DA 27 -13.475 5.340 2.618 691 H5' DA 28 H5' DA 28 -19.248 7.466 2.396 692 H5'' DA 28 H5" DA 28 -20.682 8.506 2.253 693 H4' DA 28 H4' DA 28 -18.932 9.800 3.194 694 H3' DA 28 H3' DA 28 -20.257 10.761 1.062 695 H2' DA 28 H2' DA 28 -18.751 10.102 -0.671 696 H2'' DA 28 H2" DA 28 -18.095 11.688 -0.289 697 H1' DA 28 H1' DA 28 -16.352 10.807 1.066 698 H8 DA 28 8H DA 28 -17.899 8.526 -1.589 699 H61 DA 28 2H6 DA 28 -13.779 6.538 -3.235 700 H62 DA 28 1H6 DA 28 -12.115 6.615 -2.702 701 H2 DA 28 2H DA 28 -12.034 9.261 0.918 702 H5' DG 29 H5' DG 29 -17.629 14.402 3.476 703 H5'' DG 29 H5" DG 29 -17.940 15.882 2.544 704 H4' DG 29 H4' DG 29 -15.557 15.325 3.483 705 H3' DG 29 H3' DG 29 -16.352 17.166 1.664 706 H2' DG 29 H2' DG 29 -16.107 15.843 -0.316 707 H2'' DG 29 H2" DG 29 -14.503 16.556 -0.217 708 H1' DG 29 H1' DG 29 -13.559 14.622 0.842 709 H8 DG 29 8H DG 29 -16.962 13.414 -0.579 710 H1 DG 29 1H DG 29 -11.710 10.909 -3.275 711 H21 DG 29 1H2 DG 29 -9.906 11.765 -2.371 712 H22 DG 29 2H2 DG 29 -9.973 12.961 -1.097 713 H5' DG 30 H5' DG 30 -11.377 16.962 2.239 714 H5'' DG 30 H5" DG 30 -11.387 18.626 2.859 715 H4' DG 30 H4' DG 30 -9.260 18.233 1.891 716 H3' DG 30 H3' DG 30 -10.597 20.420 1.157 717 H2' DG 30 H2' DG 30 -11.725 19.553 -0.770 718 H2'' DG 30 H2" DG 30 -10.280 20.217 -1.520 719 H1' DG 30 H1' DG 30 -9.207 18.098 -1.664 720 H8 DG 30 8H DG 30 -13.023 18.034 -1.250 721 H1 DG 30 1H DG 30 -10.635 13.881 -5.518 722 H21 DG 30 1H2 DG 30 -8.443 13.898 -5.456 723 H22 DG 30 2H2 DG 30 -7.547 14.930 -4.364 Start of MODEL 18 1 H LEU 407 H LEU 407 5.873 9.299 4.186 2 HA LEU 407 HA LEU 407 5.160 8.332 2.181 3 HB2 LEU 407 2HB LEU 407 3.273 10.380 2.286 4 HB3 LEU 407 1HB LEU 407 4.267 10.784 0.898 5 HG LEU 407 HG LEU 407 3.827 8.160 0.413 6 HD11 LEU 407 2HD1 LEU 407 2.374 7.575 2.103 7 HD12 LEU 407 3HD1 LEU 407 1.263 8.005 0.802 8 HD13 LEU 407 1HD1 LEU 407 1.576 9.148 2.107 9 HD21 LEU 407 1HD2 LEU 407 3.492 10.066 -1.119 10 HD22 LEU 407 2HD2 LEU 407 1.945 10.395 -0.336 11 HD23 LEU 407 3HD2 LEU 407 2.188 8.882 -1.211 12 H LEU 408 H LEU 408 6.558 8.323 0.436 13 HA LEU 408 HA LEU 408 8.433 10.585 0.238 14 HB2 LEU 408 2HB LEU 408 9.382 8.622 1.490 15 HB3 LEU 408 1HB LEU 408 9.215 7.680 0.020 16 HG LEU 408 HG LEU 408 10.673 9.581 -1.037 17 HD11 LEU 408 1HD1 LEU 408 10.713 11.112 0.784 18 HD12 LEU 408 2HD1 LEU 408 12.329 10.423 0.637 19 HD13 LEU 408 3HD1 LEU 408 11.242 9.858 1.906 20 HD21 LEU 408 3HD2 LEU 408 12.732 8.340 -0.233 21 HD22 LEU 408 1HD2 LEU 408 11.477 7.367 -1.000 22 HD23 LEU 408 2HD2 LEU 408 11.640 7.372 0.757 23 H ASP 409 H ASP 409 7.903 11.463 -1.669 24 HA ASP 409 HA ASP 409 7.275 9.739 -3.939 25 HB2 ASP 409 2HB ASP 409 6.940 12.662 -3.369 26 HB3 ASP 409 1HB ASP 409 6.910 12.086 -5.032 27 H ASP 410 H ASP 410 9.019 8.964 -4.929 28 HA ASP 410 HA ASP 410 11.423 10.575 -5.193 29 HB2 ASP 410 2HB ASP 410 11.211 7.992 -4.683 30 HB3 ASP 410 1HB ASP 410 11.149 7.874 -6.439 31 H GLY 411 H GLY 411 8.631 10.540 -6.833 32 HA2 GLY 411 2HA GLY 411 9.004 12.055 -8.902 33 HA3 GLY 411 1HA GLY 411 9.863 10.644 -9.502 34 H TYR 412 H TYR 412 7.684 9.109 -7.849 35 HA TYR 412 HA TYR 412 5.648 9.211 -9.974 36 HB2 TYR 412 2HB TYR 412 6.541 6.835 -8.323 37 HB3 TYR 412 1HB TYR 412 5.287 6.803 -9.554 38 HD1 TYR 412 2HD TYR 412 6.844 8.708 -11.475 39 HD2 TYR 412 1HD TYR 412 7.905 5.158 -9.383 40 HE1 TYR 412 2HE TYR 412 8.542 8.218 -13.183 41 HE2 TYR 412 1HE TYR 412 9.607 4.659 -11.086 42 HH TYR 412 HH TYR 412 10.886 6.708 -13.064 43 H ARG 413 H ARG 413 3.673 7.706 -8.877 44 HA ARG 413 HA ARG 413 2.997 9.122 -6.384 45 HB2 ARG 413 2HB ARG 413 1.645 9.161 -8.911 46 HB3 ARG 413 1HB ARG 413 0.603 8.393 -7.721 47 HG2 ARG 413 2HG ARG 413 0.430 10.294 -6.443 48 HG3 ARG 413 1HG ARG 413 1.956 10.956 -7.032 49 HD2 ARG 413 2HD ARG 413 -0.170 10.573 -9.045 50 HD3 ARG 413 1HD ARG 413 -0.456 11.826 -7.839 51 HE ARG 413 HE ARG 413 2.140 11.929 -9.097 52 HH11 ARG 413 1HH1 ARG 413 -1.180 12.997 -9.230 53 HH12 ARG 413 2HH1 ARG 413 -0.821 14.401 -10.177 54 HH21 ARG 413 1HH2 ARG 413 2.614 13.773 -10.341 55 HH22 ARG 413 2HH2 ARG 413 1.334 14.841 -10.808 56 H TRP 414 H TRP 414 2.411 7.871 -4.717 57 HA TRP 414 HA TRP 414 1.759 5.054 -5.279 58 HB2 TRP 414 2HB TRP 414 3.306 6.116 -2.907 59 HB3 TRP 414 1HB TRP 414 2.958 4.423 -3.258 60 HD1 TRP 414 HD TRP 414 5.194 7.315 -4.383 61 HE1 TRP 414 1HE TRP 414 7.066 6.380 -5.884 62 HE3 TRP 414 3HE TRP 414 3.530 2.506 -4.823 63 HZ2 TRP 414 2HZ TRP 414 7.740 3.909 -7.097 64 HZ3 TRP 414 3HZ TRP 414 4.840 0.918 -6.169 65 HH2 TRP 414 HH TRP 414 6.901 1.605 -7.281 66 H ARG 415 H ARG 415 0.113 4.118 -4.166 67 HA ARG 415 HA ARG 415 -1.399 5.866 -2.343 68 HB2 ARG 415 2HB ARG 415 -2.243 4.259 -4.686 69 HB3 ARG 415 1HB ARG 415 -3.330 4.258 -3.310 70 HG2 ARG 415 2HG ARG 415 -2.962 6.864 -3.452 71 HG3 ARG 415 1HG ARG 415 -2.575 6.473 -5.129 72 HD2 ARG 415 2HD ARG 415 -5.103 5.659 -3.704 73 HD3 ARG 415 1HD ARG 415 -4.956 7.047 -4.782 74 HE ARG 415 HE ARG 415 -4.221 4.457 -5.878 75 HH11 ARG 415 1HH1 ARG 415 -6.638 6.968 -5.604 76 HH12 ARG 415 2HH1 ARG 415 -7.538 6.416 -6.976 77 HH21 ARG 415 1HH2 ARG 415 -5.415 3.733 -7.672 78 HH22 ARG 415 2HH2 ARG 415 -6.851 4.578 -8.144 79 H LYS 416 H LYS 416 -1.468 5.125 -0.346 80 HA LYS 416 HA LYS 416 -0.551 2.626 0.516 81 HB2 LYS 416 2HB LYS 416 -1.111 4.931 1.756 82 HB3 LYS 416 1HB LYS 416 -2.588 4.064 2.148 83 HG2 LYS 416 2HG LYS 416 -1.413 2.405 3.343 84 HG3 LYS 416 1HG LYS 416 0.142 2.940 2.701 85 HD2 LYS 416 2HD LYS 416 0.058 3.776 4.899 86 HD3 LYS 416 1HD LYS 416 -0.322 5.154 3.866 87 HE2 LYS 416 2HE LYS 416 -2.774 3.910 4.410 88 HE3 LYS 416 1HE LYS 416 -1.899 3.933 5.941 89 HZ1 LYS 416 3HZ LYS 416 -2.462 6.276 4.205 90 HZ2 LYS 416 1HZ LYS 416 -1.544 6.324 5.626 91 HZ3 LYS 416 2HZ LYS 416 -3.188 5.934 5.693 92 H TYR 417 H TYR 417 -1.703 0.794 1.372 93 HA TYR 417 HA TYR 417 -4.495 0.570 1.306 94 HB2 TYR 417 2HB TYR 417 -5.066 -0.372 -0.695 95 HB3 TYR 417 1HB TYR 417 -3.766 0.688 -1.216 96 HD1 TYR 417 1HD TYR 417 -4.772 -2.787 -0.646 97 HD2 TYR 417 2HD TYR 417 -1.652 -0.226 -1.985 98 HE1 TYR 417 1HE TYR 417 -3.630 -4.714 -1.658 99 HE2 TYR 417 2HE TYR 417 -0.500 -2.149 -2.995 100 HH TYR 417 HH TYR 417 -1.785 -4.855 -3.783 101 H GLY 418 H GLY 418 -5.276 -1.193 2.194 102 HA2 GLY 418 2HA GLY 418 -5.388 -3.275 3.196 103 HA3 GLY 418 1HA GLY 418 -3.906 -3.697 2.364 104 H GLN 419 H GLN 419 -5.099 -1.813 5.158 105 HA GLN 419 HA GLN 419 -2.522 -1.831 6.419 106 HB2 GLN 419 2HB GLN 419 -4.624 -0.209 6.702 107 HB3 GLN 419 1HB GLN 419 -4.981 -1.324 8.014 108 HG2 GLN 419 2HG GLN 419 -2.230 -0.625 8.152 109 HG3 GLN 419 1HG GLN 419 -3.177 0.853 7.985 110 HE21 GLN 419 1HE2 GLN 419 -3.483 1.722 9.899 111 HE22 GLN 419 2HE2 GLN 419 -3.896 0.881 11.350 112 H LYS 420 H LYS 420 -1.670 -3.376 7.604 113 HA LYS 420 HA LYS 420 -3.350 -5.196 9.141 114 HB2 LYS 420 2HB LYS 420 -2.429 -5.947 6.612 115 HB3 LYS 420 1HB LYS 420 -1.339 -6.743 7.736 116 HG2 LYS 420 2HG LYS 420 -3.676 -7.335 8.901 117 HG3 LYS 420 1HG LYS 420 -4.205 -7.203 7.222 118 HD2 LYS 420 2HD LYS 420 -1.771 -8.800 7.911 119 HD3 LYS 420 1HD LYS 420 -3.377 -9.495 8.132 120 HE2 LYS 420 2HE LYS 420 -3.663 -8.530 5.654 121 HE3 LYS 420 1HE LYS 420 -1.923 -8.808 5.646 122 HZ1 LYS 420 3HZ LYS 420 -4.081 -10.706 5.580 123 HZ2 LYS 420 1HZ LYS 420 -2.896 -11.089 6.725 124 HZ3 LYS 420 2HZ LYS 420 -2.469 -10.886 5.101 125 H VAL 421 H VAL 421 -2.107 -6.556 10.639 126 HA VAL 421 HA VAL 421 0.478 -5.322 11.334 127 HB VAL 421 HB VAL 421 -1.233 -4.845 13.016 128 HG11 VAL 421 1HG1 VAL 421 -1.455 -7.839 13.290 129 HG12 VAL 421 2HG1 VAL 421 -2.683 -6.759 12.630 130 HG13 VAL 421 3HG1 VAL 421 -2.234 -6.647 14.331 131 HG21 VAL 421 3HG2 VAL 421 0.934 -6.769 13.832 132 HG22 VAL 421 1HG2 VAL 421 -0.061 -5.889 14.993 133 HG23 VAL 421 2HG2 VAL 421 0.973 -5.006 13.871 134 H VAL 422 H VAL 422 2.203 -6.649 11.813 135 HA VAL 422 HA VAL 422 1.730 -9.544 11.539 136 HB VAL 422 HB VAL 422 4.044 -9.633 10.486 137 HG11 VAL 422 1HG1 VAL 422 3.131 -8.928 8.233 138 HG12 VAL 422 2HG1 VAL 422 1.677 -8.416 9.090 139 HG13 VAL 422 3HG1 VAL 422 2.174 -10.107 9.128 140 HG21 VAL 422 3HG2 VAL 422 4.325 -7.095 11.177 141 HG22 VAL 422 1HG2 VAL 422 3.611 -6.837 9.586 142 HG23 VAL 422 2HG2 VAL 422 5.108 -7.756 9.742 143 H LYS 423 H LYS 423 2.924 -10.924 12.771 144 HA LYS 423 HA LYS 423 4.096 -9.835 15.171 145 HB2 LYS 423 2HB LYS 423 2.678 -12.095 14.670 146 HB3 LYS 423 1HB LYS 423 4.316 -12.737 14.639 147 HG2 LYS 423 2HG LYS 423 4.609 -12.461 16.855 148 HG3 LYS 423 1HG LYS 423 3.674 -10.966 16.904 149 HD2 LYS 423 2HD LYS 423 2.433 -12.566 18.133 150 HD3 LYS 423 1HD LYS 423 1.613 -12.389 16.580 151 HE2 LYS 423 2HE LYS 423 1.743 -14.598 16.358 152 HE3 LYS 423 1HE LYS 423 3.486 -14.409 16.171 153 HZ1 LYS 423 3HZ LYS 423 3.876 -15.183 18.228 154 HZ2 LYS 423 1HZ LYS 423 2.347 -15.891 18.070 155 HZ3 LYS 423 2HZ LYS 423 2.520 -14.431 18.906 156 H GLY 424 H GLY 424 6.157 -11.392 15.873 157 HA2 GLY 424 2HA GLY 424 8.413 -11.748 15.558 158 HA3 GLY 424 1HA GLY 424 8.066 -11.926 13.844 159 H ASN 425 H ASN 425 6.789 -9.125 14.171 160 HA ASN 425 HA ASN 425 9.023 -7.357 14.524 161 HB2 ASN 425 2HB ASN 425 8.844 -8.423 12.037 162 HB3 ASN 425 1HB ASN 425 7.726 -7.075 11.862 163 HD21 ASN 425 1HD2 ASN 425 8.905 -5.800 10.554 164 HD22 ASN 425 2HD2 ASN 425 10.431 -5.113 10.982 165 HA PRO 426 HA PRO 426 4.505 -6.473 15.976 166 HB2 PRO 426 2HB PRO 426 6.526 -4.851 17.493 167 HB3 PRO 426 1HB PRO 426 4.984 -5.504 18.045 168 HG2 PRO 426 2HG PRO 426 7.338 -6.755 18.510 169 HG3 PRO 426 1HG PRO 426 5.816 -7.634 18.287 170 HD2 PRO 426 2HD PRO 426 8.153 -7.569 16.560 171 HD3 PRO 426 1HD PRO 426 6.710 -8.591 16.435 172 H TYR 427 H TYR 427 4.574 -5.517 13.630 173 HA TYR 427 HA TYR 427 4.181 -2.667 13.955 174 HB2 TYR 427 2HB TYR 427 6.346 -3.771 12.171 175 HB3 TYR 427 1HB TYR 427 5.619 -2.194 11.888 176 HD1 TYR 427 1HD TYR 427 7.502 -4.179 14.413 177 HD2 TYR 427 2HD TYR 427 6.338 -0.308 13.083 178 HE1 TYR 427 1HE TYR 427 9.065 -3.164 16.013 179 HE2 TYR 427 2HE TYR 427 7.897 0.717 14.682 180 HH TYR 427 HH TYR 427 10.260 -1.104 16.370 181 HA PRO 428 HA PRO 428 1.091 -3.568 10.935 182 HB2 PRO 428 2HB PRO 428 0.336 -1.090 10.255 183 HB3 PRO 428 1HB PRO 428 0.046 -1.729 11.878 184 HG2 PRO 428 2HG PRO 428 2.194 0.123 10.930 185 HG3 PRO 428 1HG PRO 428 1.230 0.196 12.415 186 HD2 PRO 428 2HD PRO 428 3.785 -0.809 12.283 187 HD3 PRO 428 1HD PRO 428 2.595 -1.273 13.513 188 H ARG 429 H ARG 429 1.334 -4.272 8.921 189 HA ARG 429 HA ARG 429 3.381 -3.217 7.191 190 HB2 ARG 429 2HB ARG 429 2.047 -5.669 7.467 191 HB3 ARG 429 1HB ARG 429 1.546 -5.052 5.900 192 HG2 ARG 429 2HG ARG 429 3.570 -5.363 4.985 193 HG3 ARG 429 1HG ARG 429 4.424 -4.852 6.443 194 HD2 ARG 429 2HD ARG 429 4.973 -7.053 6.495 195 HD3 ARG 429 1HD ARG 429 3.430 -7.155 7.341 196 HE ARG 429 HE ARG 429 2.617 -8.373 5.594 197 HH11 ARG 429 1HH1 ARG 429 5.432 -6.625 4.497 198 HH12 ARG 429 2HH1 ARG 429 5.439 -7.369 2.933 199 HH21 ARG 429 1HH2 ARG 429 2.625 -9.353 3.539 200 HH22 ARG 429 2HH2 ARG 429 3.845 -8.918 2.388 201 H SER 430 H SER 430 3.116 -1.985 5.388 202 HA SER 430 HA SER 430 0.374 -1.167 4.695 203 HB2 SER 430 2HB SER 430 2.626 0.793 4.466 204 HB3 SER 430 1HB SER 430 0.904 1.090 4.697 205 HG SER 430 HG SER 430 1.134 0.353 6.840 206 H TYR 431 H TYR 431 0.024 -2.025 2.733 207 HA TYR 431 HA TYR 431 2.202 -2.357 0.865 208 HB2 TYR 431 2HB TYR 431 -0.742 -2.897 0.441 209 HB3 TYR 431 1HB TYR 431 0.589 -3.486 -0.546 210 HD1 TYR 431 2HD TYR 431 -0.969 -3.738 2.805 211 HD2 TYR 431 1HD TYR 431 1.731 -5.472 0.012 212 HE1 TYR 431 2HE TYR 431 -0.835 -5.758 4.199 213 HE2 TYR 431 1HE TYR 431 1.871 -7.499 1.397 214 HH TYR 431 HH TYR 431 0.640 -8.658 3.097 215 H TYR 432 H TYR 432 2.898 -0.494 -0.015 216 HA TYR 432 HA TYR 432 0.970 1.494 -0.923 217 HB2 TYR 432 2HB TYR 432 3.900 1.430 -0.425 218 HB3 TYR 432 1HB TYR 432 3.326 2.543 -1.663 219 HD1 TYR 432 2HD TYR 432 1.718 4.346 -1.032 220 HD2 TYR 432 1HD TYR 432 3.591 1.870 1.878 221 HE1 TYR 432 2HE TYR 432 1.147 5.978 0.719 222 HE2 TYR 432 1HE TYR 432 3.030 3.493 3.635 223 HH TYR 432 HH TYR 432 1.015 6.304 2.972 224 H LYS 433 H LYS 433 0.259 1.554 -2.978 225 HA LYS 433 HA LYS 433 1.840 0.115 -5.004 226 HB2 LYS 433 2HB LYS 433 -0.308 -0.265 -6.202 227 HB3 LYS 433 1HB LYS 433 -0.224 -1.063 -4.638 228 HG2 LYS 433 2HG LYS 433 -1.522 0.848 -3.684 229 HG3 LYS 433 1HG LYS 433 -1.733 1.446 -5.331 230 HD2 LYS 433 2HD LYS 433 -2.471 -1.373 -4.658 231 HD3 LYS 433 1HD LYS 433 -3.571 -0.055 -4.252 232 HE2 LYS 433 2HE LYS 433 -3.662 0.635 -6.564 233 HE3 LYS 433 1HE LYS 433 -2.456 -0.573 -7.005 234 HZ1 LYS 433 3HZ LYS 433 -5.289 -0.926 -6.349 235 HZ2 LYS 433 1HZ LYS 433 -4.219 -2.174 -5.945 236 HZ3 LYS 433 2HZ LYS 433 -4.360 -1.667 -7.554 237 H CYS 434 H CYS 434 2.257 1.075 -6.926 238 HA CYS 434 HA CYS 434 1.820 3.934 -7.066 239 HB2 CYS 434 2HB CYS 434 4.002 3.371 -7.708 240 HB3 CYS 434 1HB CYS 434 3.476 1.958 -8.612 241 H THR 435 H THR 435 0.490 4.958 -8.470 242 HA THR 435 HA THR 435 -1.146 3.266 -10.244 243 HB THR 435 HB THR 435 -3.048 4.581 -9.826 244 HG1 THR 435 1HG THR 435 -2.814 6.589 -8.562 245 HG21 THR 435 3HG2 THR 435 -1.686 3.454 -7.643 246 HG22 THR 435 1HG2 THR 435 -3.409 3.805 -7.764 247 HG23 THR 435 2HG2 THR 435 -2.314 4.999 -7.069 248 H THR 436 H THR 436 -1.629 4.145 -12.357 249 HA THR 436 HA THR 436 -0.815 6.730 -13.125 250 HB THR 436 HB THR 436 0.898 4.666 -14.440 251 HG1 THR 436 1HG THR 436 1.653 6.045 -12.065 252 HG21 THR 436 3HG2 THR 436 0.993 6.733 -15.521 253 HG22 THR 436 1HG2 THR 436 2.428 6.728 -14.497 254 HG23 THR 436 2HG2 THR 436 0.995 7.630 -14.002 255 HA PRO 437 HA PRO 437 -3.845 5.654 -16.194 256 HB2 PRO 437 2HB PRO 437 -2.906 7.344 -18.206 257 HB3 PRO 437 1HB PRO 437 -4.054 7.790 -16.941 258 HG2 PRO 437 2HG PRO 437 -1.110 8.254 -17.079 259 HG3 PRO 437 1HG PRO 437 -2.387 9.311 -16.449 260 HD2 PRO 437 2HD PRO 437 -0.795 7.937 -14.801 261 HD3 PRO 437 1HD PRO 437 -2.520 8.151 -14.436 262 H GLY 438 H GLY 438 -2.890 3.503 -16.414 263 HA2 GLY 438 2HA GLY 438 -2.585 2.138 -18.446 264 HA3 GLY 438 1HA GLY 438 -1.315 3.265 -18.901 265 H CYS 439 H CYS 439 -0.893 3.023 -15.690 266 HA CYS 439 HA CYS 439 0.658 0.536 -15.832 267 HB2 CYS 439 2HB CYS 439 2.513 1.789 -16.044 268 HB3 CYS 439 1HB CYS 439 1.695 3.258 -15.551 269 H GLY 440 H GLY 440 1.213 -0.409 -13.840 270 HA2 GLY 440 2HA GLY 440 0.083 0.628 -11.387 271 HA3 GLY 440 1HA GLY 440 -0.707 -0.817 -12.002 272 H VAL 441 H VAL 441 1.916 0.416 -10.228 273 HA VAL 441 HA VAL 441 3.149 -2.261 -10.100 274 HB VAL 441 HB VAL 441 4.404 0.473 -10.034 275 HG11 VAL 441 1HG1 VAL 441 5.263 -0.521 -8.031 276 HG12 VAL 441 2HG1 VAL 441 6.519 -0.614 -9.266 277 HG13 VAL 441 3HG1 VAL 441 5.573 -2.047 -8.860 278 HG21 VAL 441 3HG2 VAL 441 4.422 -0.528 -12.173 279 HG22 VAL 441 1HG2 VAL 441 4.925 -2.086 -11.519 280 HG23 VAL 441 2HG2 VAL 441 6.050 -0.729 -11.524 281 H ARG 442 H ARG 442 3.989 -2.872 -7.950 282 HA ARG 442 HA ARG 442 2.735 -1.336 -5.782 283 HB2 ARG 442 2HB ARG 442 2.881 -4.348 -5.890 284 HB3 ARG 442 1HB ARG 442 2.063 -3.366 -4.683 285 HG2 ARG 442 2HG ARG 442 0.230 -3.133 -5.939 286 HG3 ARG 442 1HG ARG 442 1.157 -2.879 -7.419 287 HD2 ARG 442 2HD ARG 442 1.193 -5.097 -7.941 288 HD3 ARG 442 1HD ARG 442 1.153 -5.606 -6.255 289 HE ARG 442 HE ARG 442 -1.299 -4.547 -6.612 290 HH11 ARG 442 1HH1 ARG 442 0.536 -6.901 -8.426 291 HH12 ARG 442 2HH1 ARG 442 -0.865 -7.755 -8.974 292 HH21 ARG 442 1HH2 ARG 442 -3.144 -5.676 -7.330 293 HH22 ARG 442 2HH2 ARG 442 -2.955 -7.062 -8.351 294 H LYS 443 H LYS 443 3.688 -1.696 -3.671 295 HA LYS 443 HA LYS 443 6.309 -2.910 -3.557 296 HB2 LYS 443 2HB LYS 443 7.539 -0.979 -2.955 297 HB3 LYS 443 1HB LYS 443 6.647 -0.547 -4.406 298 HG2 LYS 443 2HG LYS 443 4.997 0.624 -3.047 299 HG3 LYS 443 1HG LYS 443 5.886 0.180 -1.589 300 HD2 LYS 443 2HD LYS 443 7.884 1.330 -2.831 301 HD3 LYS 443 1HD LYS 443 6.597 2.129 -3.735 302 HE2 LYS 443 2HE LYS 443 5.748 3.178 -1.832 303 HE3 LYS 443 1HE LYS 443 6.571 2.066 -0.739 304 HZ1 LYS 443 3HZ LYS 443 8.454 3.262 -0.810 305 HZ2 LYS 443 1HZ LYS 443 7.441 4.524 -1.306 306 HZ3 LYS 443 2HZ LYS 443 8.305 3.632 -2.454 307 H HIS 444 H HIS 444 7.115 -3.049 -1.346 308 HA HIS 444 HA HIS 444 4.892 -2.950 0.588 309 HB2 HIS 444 2HB HIS 444 7.273 -4.807 0.448 310 HB3 HIS 444 1HB HIS 444 6.136 -4.762 1.790 311 HD1 HIS 444 1HD HIS 444 6.351 -5.691 -1.850 312 HD2 HIS 444 2HD HIS 444 3.748 -6.091 1.365 313 HE1 HIS 444 1HE HIS 444 4.581 -7.305 -2.616 314 HE2 HIS 444 2HE HIS 444 2.976 -7.473 -0.680 315 H VAL 445 H VAL 445 5.191 -2.075 2.600 316 HA VAL 445 HA VAL 445 7.821 -0.853 3.131 317 HB VAL 445 HB VAL 445 5.159 0.409 3.800 318 HG11 VAL 445 1HG1 VAL 445 6.355 2.272 4.557 319 HG12 VAL 445 2HG1 VAL 445 7.854 1.728 3.801 320 HG13 VAL 445 3HG1 VAL 445 7.227 0.890 5.221 321 HG21 VAL 445 3HG2 VAL 445 5.369 0.463 1.426 322 HG22 VAL 445 1HG2 VAL 445 7.060 0.952 1.528 323 HG23 VAL 445 2HG2 VAL 445 5.789 2.066 2.028 324 H GLU 446 H GLU 446 8.674 -1.593 4.968 325 HA GLU 446 HA GLU 446 6.892 -2.242 7.208 326 HB2 GLU 446 2HB GLU 446 7.909 -4.210 5.667 327 HB3 GLU 446 1HB GLU 446 9.233 -4.015 6.805 328 HG2 GLU 446 2HG GLU 446 8.018 -4.789 8.569 329 HG3 GLU 446 1HG GLU 446 6.482 -4.254 7.889 330 H ARG 447 H ARG 447 7.908 -2.190 9.289 331 HA ARG 447 HA ARG 447 10.247 -0.423 9.341 332 HB2 ARG 447 2HB ARG 447 7.900 -0.825 11.098 333 HB3 ARG 447 1HB ARG 447 9.419 -0.481 11.914 334 HG2 ARG 447 2HG ARG 447 9.158 1.672 11.492 335 HG3 ARG 447 1HG ARG 447 9.179 1.337 9.759 336 HD2 ARG 447 2HD ARG 447 6.655 0.601 10.367 337 HD3 ARG 447 1HD ARG 447 6.912 1.868 11.567 338 HE ARG 447 HE ARG 447 7.647 2.579 8.866 339 HH11 ARG 447 1HH1 ARG 447 5.113 2.554 11.269 340 HH12 ARG 447 2HH1 ARG 447 4.235 3.854 10.536 341 HH21 ARG 447 1HH2 ARG 447 6.491 4.288 7.902 342 HH22 ARG 447 2HH2 ARG 447 5.016 4.838 8.626 343 H ALA 448 H ALA 448 11.719 -0.779 11.283 344 HA ALA 448 HA ALA 448 12.411 -3.626 11.354 345 HB1 ALA 448 1HB ALA 448 14.601 -2.692 12.306 346 HB2 ALA 448 2HB ALA 448 13.995 -1.121 11.782 347 HB3 ALA 448 3HB ALA 448 14.246 -2.409 10.602 348 H ALA 449 H ALA 449 12.002 -4.791 13.089 349 HA ALA 449 HA ALA 449 10.642 -4.067 15.316 350 HB1 ALA 449 1HB ALA 449 12.404 -6.309 14.642 351 HB2 ALA 449 2HB ALA 449 10.786 -6.303 15.342 352 HB3 ALA 449 3HB ALA 449 12.193 -6.031 16.371 353 H THR 450 H THR 450 14.207 -4.222 15.134 354 HA THR 450 HA THR 450 14.412 -2.933 17.731 355 HB THR 450 HB THR 450 16.979 -3.086 16.914 356 HG1 THR 450 1HG THR 450 17.274 -4.681 15.480 357 HG21 THR 450 3HG2 THR 450 17.167 -5.038 18.254 358 HG22 THR 450 1HG2 THR 450 15.498 -5.508 17.926 359 HG23 THR 450 2HG2 THR 450 15.838 -4.099 18.932 360 H ASP 451 H ASP 451 13.468 -1.555 15.148 361 HA ASP 451 HA ASP 451 14.746 0.945 15.686 362 HB2 ASP 451 2HB ASP 451 16.233 -0.476 14.001 363 HB3 ASP 451 1HB ASP 451 15.066 0.135 12.833 364 HA PRO 452 HA PRO 452 10.351 1.223 14.332 365 HB2 PRO 452 2HB PRO 452 10.505 3.619 16.055 366 HB3 PRO 452 1HB PRO 452 9.337 2.295 16.070 367 HG2 PRO 452 2HG PRO 452 11.184 2.531 17.989 368 HG3 PRO 452 1HG PRO 452 10.687 0.943 17.377 369 HD2 PRO 452 2HD PRO 452 13.148 2.530 16.751 370 HD3 PRO 452 1HD PRO 452 12.975 0.784 17.033 371 H LYS 453 H LYS 453 13.087 3.297 14.066 372 HA LYS 453 HA LYS 453 11.629 5.185 12.375 373 HB2 LYS 453 2HB LYS 453 14.511 5.631 12.681 374 HB3 LYS 453 1HB LYS 453 13.171 6.744 12.879 375 HG2 LYS 453 2HG LYS 453 13.476 6.683 15.065 376 HG3 LYS 453 1HG LYS 453 13.074 4.968 15.069 377 HD2 LYS 453 2HD LYS 453 15.167 4.829 15.953 378 HD3 LYS 453 1HD LYS 453 15.604 4.789 14.242 379 HE2 LYS 453 2HE LYS 453 15.368 7.509 15.051 380 HE3 LYS 453 1HE LYS 453 16.381 6.666 16.222 381 HZ1 LYS 453 3HZ LYS 453 16.931 7.361 13.482 382 HZ2 LYS 453 1HZ LYS 453 17.328 5.760 13.864 383 HZ3 LYS 453 2HZ LYS 453 18.001 7.034 14.750 384 H ALA 454 H ALA 454 13.356 2.325 12.012 385 HA ALA 454 HA ALA 454 14.433 3.063 9.398 386 HB1 ALA 454 1HB ALA 454 14.682 0.336 10.598 387 HB2 ALA 454 2HB ALA 454 15.669 1.666 11.207 388 HB3 ALA 454 3HB ALA 454 15.782 1.188 9.513 389 H VAL 455 H VAL 455 13.396 2.602 7.566 390 HA VAL 455 HA VAL 455 11.218 0.620 7.666 391 HB VAL 455 HB VAL 455 11.311 3.034 5.859 392 HG11 VAL 455 1HG1 VAL 455 8.941 2.513 5.494 393 HG12 VAL 455 2HG1 VAL 455 9.103 1.087 6.518 394 HG13 VAL 455 3HG1 VAL 455 9.990 1.185 4.996 395 HG21 VAL 455 3HG2 VAL 455 10.356 2.715 8.634 396 HG22 VAL 455 1HG2 VAL 455 9.273 3.561 7.528 397 HG23 VAL 455 2HG2 VAL 455 10.914 4.155 7.783 398 H VAL 456 H VAL 456 10.930 -0.740 5.928 399 HA VAL 456 HA VAL 456 13.181 -0.880 4.031 400 HB VAL 456 HB VAL 456 12.940 -3.235 3.931 401 HG11 VAL 456 1HG1 VAL 456 13.635 -1.991 6.243 402 HG12 VAL 456 2HG1 VAL 456 13.794 -3.723 5.953 403 HG13 VAL 456 3HG1 VAL 456 12.387 -3.099 6.813 404 HG21 VAL 456 3HG2 VAL 456 11.099 -4.392 5.251 405 HG22 VAL 456 1HG2 VAL 456 10.614 -3.570 3.766 406 HG23 VAL 456 2HG2 VAL 456 10.313 -2.815 5.331 407 H THR 457 H THR 457 12.737 -1.152 1.826 408 HA THR 457 HA THR 457 9.900 -1.128 1.076 409 HB THR 457 HB THR 457 11.773 0.544 -0.531 410 HG1 THR 457 1HG THR 457 10.655 1.217 1.991 411 HG21 THR 457 3HG2 THR 457 8.868 0.910 0.199 412 HG22 THR 457 1HG2 THR 457 9.419 0.032 -1.228 413 HG23 THR 457 2HG2 THR 457 9.769 1.754 -1.060 414 H THR 458 H THR 458 9.379 -2.557 -0.409 415 HA THR 458 HA THR 458 11.503 -3.654 -2.139 416 HB THR 458 HB THR 458 9.079 -5.296 -1.718 417 HG1 THR 458 1HG THR 458 10.914 -4.701 0.365 418 HG21 THR 458 3HG2 THR 458 10.528 -6.651 -2.760 419 HG22 THR 458 1HG2 THR 458 11.329 -6.804 -1.197 420 HG23 THR 458 2HG2 THR 458 11.903 -5.616 -2.369 421 H TYR 459 H TYR 459 11.204 -3.388 -4.276 422 HA TYR 459 HA TYR 459 8.590 -2.399 -5.173 423 HB2 TYR 459 2HB TYR 459 11.385 -2.075 -6.197 424 HB3 TYR 459 1HB TYR 459 10.028 -1.877 -7.301 425 HD1 TYR 459 2HD TYR 459 10.444 -0.880 -3.729 426 HD2 TYR 459 1HD TYR 459 9.828 0.393 -7.743 427 HE1 TYR 459 2HE TYR 459 10.158 1.433 -2.948 428 HE2 TYR 459 1HE TYR 459 9.541 2.710 -6.970 429 HH TYR 459 HH TYR 459 10.519 3.952 -4.476 430 H GLU 460 H GLU 460 7.282 -3.663 -6.284 431 HA GLU 460 HA GLU 460 8.426 -5.947 -7.753 432 HB2 GLU 460 2HB GLU 460 6.100 -5.781 -5.896 433 HB3 GLU 460 1HB GLU 460 5.973 -6.864 -7.276 434 HG2 GLU 460 2HG GLU 460 7.162 -8.394 -6.217 435 HG3 GLU 460 1HG GLU 460 8.503 -7.265 -6.040 436 H GLY 461 H GLY 461 8.306 -5.461 -9.857 437 HA2 GLY 461 2HA GLY 461 6.528 -5.543 -11.654 438 HA3 GLY 461 1HA GLY 461 5.846 -4.148 -10.833 439 H LYS 462 H LYS 462 6.046 -3.106 -12.927 440 HA LYS 462 HA LYS 462 8.546 -1.663 -13.123 441 HB2 LYS 462 2HB LYS 462 8.924 -3.675 -14.526 442 HB3 LYS 462 1HB LYS 462 7.521 -3.239 -15.491 443 HG2 LYS 462 2HG LYS 462 9.032 -2.253 -16.814 444 HG3 LYS 462 1HG LYS 462 8.953 -0.949 -15.628 445 HD2 LYS 462 2HD LYS 462 11.219 -1.278 -15.718 446 HD3 LYS 462 1HD LYS 462 10.794 -2.391 -14.415 447 HE2 LYS 462 2HE LYS 462 10.468 -3.961 -16.622 448 HE3 LYS 462 1HE LYS 462 11.818 -2.937 -17.107 449 HZ1 LYS 462 3HZ LYS 462 12.737 -3.559 -14.791 450 HZ2 LYS 462 1HZ LYS 462 12.865 -4.674 -16.056 451 HZ3 LYS 462 2HZ LYS 462 11.659 -4.859 -14.887 452 H HIS 463 H HIS 463 8.313 0.344 -14.070 453 HA HIS 463 HA HIS 463 5.546 1.144 -14.605 454 HB2 HIS 463 2HB HIS 463 7.936 2.949 -14.225 455 HB3 HIS 463 1HB HIS 463 6.234 3.397 -14.164 456 HD2 HIS 463 2HD HIS 463 8.871 1.529 -11.941 457 HE1 HIS 463 1HE HIS 463 5.509 2.523 -9.555 458 HE2 HIS 463 2HE HIS 463 7.797 1.472 -9.592 459 H ASN 464 H ASN 464 4.865 1.524 -16.594 460 HA ASN 464 HA ASN 464 6.862 1.829 -18.728 461 HB2 ASN 464 2HB ASN 464 3.957 0.994 -18.906 462 HB3 ASN 464 1HB ASN 464 5.075 1.102 -20.264 463 HD21 ASN 464 1HD2 ASN 464 3.557 -1.157 -19.023 464 HD22 ASN 464 2HD2 ASN 464 4.747 -2.373 -18.726 465 H HIS 465 H HIS 465 6.421 4.089 -17.224 466 HA HIS 465 HA HIS 465 5.299 5.881 -19.204 467 HB2 HIS 465 2HB HIS 465 3.853 7.029 -17.611 468 HB3 HIS 465 1HB HIS 465 3.392 5.334 -17.724 469 HD1 HIS 465 1HD HIS 465 5.106 7.758 -15.398 470 HD2 HIS 465 2HD HIS 465 3.576 3.903 -15.377 471 HE1 HIS 465 1HE HIS 465 5.174 7.024 -12.993 472 H ASP 466 H ASP 466 7.870 5.505 -18.666 473 HA ASP 466 HA ASP 466 9.749 6.287 -17.387 474 HB2 ASP 466 2HB ASP 466 9.191 7.268 -19.800 475 HB3 ASP 466 1HB ASP 466 9.109 8.775 -18.896 476 H LEU 467 H LEU 467 9.948 9.348 -17.296 477 HA LEU 467 HA LEU 467 8.923 9.578 -14.575 478 HB2 LEU 467 2HB LEU 467 11.241 10.522 -15.910 479 HB3 LEU 467 1HB LEU 467 10.320 11.922 -15.397 480 HG LEU 467 HG LEU 467 12.095 11.056 -13.794 481 HD11 LEU 467 1HD1 LEU 467 10.965 12.405 -12.455 482 HD12 LEU 467 2HD1 LEU 467 9.950 11.041 -11.988 483 HD13 LEU 467 3HD1 LEU 467 9.467 12.083 -13.327 484 HD21 LEU 467 3HD2 LEU 467 10.720 8.652 -14.151 485 HD22 LEU 467 1HD2 LEU 467 10.331 9.182 -12.514 486 HD23 LEU 467 2HD2 LEU 467 12.014 8.987 -13.001 487 HA PRO 468 HA PRO 468 5.535 12.011 -16.164 488 HB2 PRO 468 2HB PRO 468 4.285 12.457 -13.816 489 HB3 PRO 468 1HB PRO 468 4.246 10.886 -14.627 490 HG2 PRO 468 2HG PRO 468 5.908 11.787 -12.315 491 HG3 PRO 468 1HG PRO 468 5.112 10.227 -12.584 492 HD2 PRO 468 2HD PRO 468 7.782 10.693 -13.019 493 HD3 PRO 468 1HD PRO 468 6.853 9.428 -13.836 494 H ALA 469 H ALA 469 6.517 13.887 -16.864 495 HA ALA 469 HA ALA 469 7.361 15.883 -14.924 496 HB1 ALA 469 1HB ALA 469 8.871 15.979 -16.618 497 HB2 ALA 469 2HB ALA 469 7.707 17.147 -17.243 498 HB3 ALA 469 3HB ALA 469 7.698 15.487 -17.840 499 H5' DC 3 H5' DC 3 -3.304 13.802 -8.924 500 H5'' DC 3 H5" DC 3 -4.424 15.129 -8.567 501 H4' DC 3 H4' DC 3 -2.804 14.249 -6.286 502 H3' DC 3 H3' DC 3 -4.540 12.244 -7.675 503 H2' DC 3 H2' DC 3 -5.633 11.691 -5.659 504 H2'' DC 3 H2" DC 3 -4.248 12.143 -4.676 505 H1' DC 3 H1' DC 3 -5.141 14.213 -4.305 506 H41 DC 3 1H4 DC 3 -11.390 14.933 -5.024 507 H42 DC 3 2H4 DC 3 -11.456 13.617 -6.175 508 H5 DC 3 5H DC 3 -9.479 12.461 -6.964 509 H6 DC 3 6H DC 3 -7.049 12.327 -6.801 510 H5' DC 4 H5' DC 4 -2.153 11.844 -4.475 511 H5'' DC 4 H5" DC 4 -1.130 10.492 -3.942 512 H4' DC 4 H4' DC 4 -2.157 11.241 -1.996 513 H3' DC 4 H3' DC 4 -3.475 8.777 -3.055 514 H2' DC 4 H2' DC 4 -5.258 8.941 -1.516 515 H2'' DC 4 H2" DC 4 -4.301 9.849 -0.356 516 H1' DC 4 H1' DC 4 -5.208 11.792 -1.161 517 H41 DC 4 1H4 DC 4 -10.640 11.169 -4.324 518 H42 DC 4 2H4 DC 4 -9.897 10.160 -5.543 519 H5 DC 4 5H DC 4 -7.565 9.518 -5.480 520 H6 DC 4 6H DC 4 -5.477 9.717 -4.234 521 H5' DT 5 H5' DT 5 -2.537 10.278 1.310 522 H5'' DT 5 H5" DT 5 -2.184 8.830 2.277 523 H4' DT 5 H4' DT 5 -3.649 10.695 3.278 524 H3' DT 5 H3' DT 5 -3.461 8.106 4.008 525 H2' DT 5 H2' DT 5 -5.226 7.203 2.672 526 H2'' DT 5 H2" DT 5 -6.127 7.617 4.124 527 H1' DT 5 H1' DT 5 -6.937 9.666 3.212 528 H3 DT 5 3H DT 5 -10.008 8.496 0.140 529 H71 DT 5 1H7 DT 5 -5.527 6.073 -1.308 530 H72 DT 5 2H7 DT 5 -7.040 6.005 -2.243 531 H73 DT 5 3H7 DT 5 -5.900 7.351 -2.489 532 H6 DT 5 6H DT 5 -5.326 7.706 0.513 533 H5' DT 6 H5' DT 6 -6.787 8.825 6.502 534 H5'' DT 6 H5" DT 6 -6.473 8.525 8.224 535 H4' DT 6 H4' DT 6 -7.949 6.884 8.055 536 H3' DT 6 H3' DT 6 -5.548 5.648 6.815 537 H2' DT 6 H2' DT 6 -6.784 4.132 5.545 538 H2'' DT 6 H2" DT 6 -7.904 3.855 6.868 539 H1' DT 6 H1' DT 6 -9.428 5.389 6.113 540 H3 DT 6 3H DT 6 -10.791 5.371 1.860 541 H71 DT 6 1H7 DT 6 -6.587 4.756 0.196 542 H72 DT 6 2H7 DT 6 -5.639 5.743 1.334 543 H73 DT 6 3H7 DT 6 -5.763 3.984 1.572 544 H6 DT 6 6H DT 6 -6.485 5.189 3.902 545 H5' DT 7 H5' DT 7 -8.583 3.372 10.109 546 H5'' DT 7 H5" DT 7 -8.436 1.613 9.916 547 H4' DT 7 H4' DT 7 -10.619 3.218 9.287 548 H3' DT 7 H3' DT 7 -10.293 0.552 9.647 549 H2' DT 7 H2' DT 7 -9.428 -0.004 7.488 550 H2'' DT 7 H2" DT 7 -11.151 -0.186 7.186 551 H1' DT 7 H1' DT 7 -11.356 2.001 6.227 552 H3 DT 7 3H DT 7 -9.623 1.260 2.179 553 H71 DT 7 1H7 DT 7 -5.328 1.912 3.728 554 H72 DT 7 2H7 DT 7 -5.418 0.497 4.804 555 H73 DT 7 3H7 DT 7 -5.515 2.139 5.483 556 H6 DT 7 6H DT 7 -7.689 1.731 6.513 557 H5' DG 8 H5' DG 8 -14.646 0.263 8.049 558 H5'' DG 8 H5" DG 8 -15.568 -0.244 9.480 559 H4' DG 8 H4' DG 8 -16.188 -1.798 7.906 560 H3' DG 8 H3' DG 8 -14.785 -2.845 9.998 561 H2' DG 8 H2' DG 8 -12.684 -3.149 8.908 562 H2'' DG 8 H2" DG 8 -13.452 -4.674 8.487 563 H1' DG 8 H1' DG 8 -14.153 -3.893 6.337 564 H8 DG 8 8H DG 8 -11.027 -2.525 8.009 565 H1 DG 8 1H DG 8 -10.662 -3.001 1.624 566 H21 DG 8 1H2 DG 8 -12.624 -3.489 0.779 567 H22 DG 8 2H2 DG 8 -14.044 -3.702 1.778 568 H5' DA 9 H5' DA 9 -16.485 -5.243 6.615 569 H5'' DA 9 H5" DA 9 -17.547 -6.514 7.254 570 H4' DA 9 H4' DA 9 -16.838 -7.033 5.009 571 H3' DA 9 H3' DA 9 -16.657 -8.867 7.090 572 H2' DA 9 H2' DA 9 -14.292 -8.992 7.228 573 H2'' DA 9 H2" DA 9 -14.517 -10.092 5.877 574 H1' DA 9 H1' DA 9 -14.121 -8.396 4.235 575 H8 DA 9 8H DA 9 -12.593 -7.751 7.722 576 H61 DA 9 2H6 DA 9 -8.030 -6.898 6.263 577 H62 DA 9 1H6 DA 9 -7.278 -6.796 4.688 578 H2 DA 9 2H DA 9 -10.508 -7.500 1.658 579 H5' DC 10 H5' DC 10 -16.068 -9.607 2.660 580 H5'' DC 10 H5" DC 10 -17.479 -10.639 2.348 581 H4' DC 10 H4' DC 10 -16.173 -10.866 0.448 582 H3' DC 10 H3' DC 10 -16.650 -13.151 1.783 583 H2' DC 10 H2' DC 10 -14.617 -13.334 3.022 584 H2'' DC 10 H2" DC 10 -14.140 -14.177 1.555 585 H1' DC 10 H1' DC 10 -12.989 -12.304 0.667 586 H41 DC 10 1H4 DC 10 -8.722 -10.895 5.129 587 H42 DC 10 2H4 DC 10 -9.919 -10.999 6.397 588 H5 DC 10 5H DC 10 -12.254 -11.475 5.971 589 H6 DC 10 6H DC 10 -13.911 -11.940 4.243 590 H5' DC 11 H5' DC 11 -14.694 -14.260 -2.152 591 H5'' DC 11 H5" DC 11 -15.559 -15.456 -3.140 592 H4' DC 11 H4' DC 11 -13.450 -16.353 -3.019 593 H3' DC 11 H3' DC 11 -15.342 -17.682 -1.260 594 H2' DC 11 H2' DC 11 -13.900 -17.996 0.540 595 H2'' DC 11 H2" DC 11 -12.841 -18.892 -0.541 596 H1' DC 11 H1' DC 11 -11.480 -17.060 -1.027 597 H41 DC 11 1H4 DC 11 -9.511 -14.889 4.594 598 H42 DC 11 2H4 DC 11 -11.108 -15.068 5.281 599 H5 DC 11 5H DC 11 -13.026 -15.815 4.012 600 H6 DC 11 6H DC 11 -13.806 -16.537 1.816 601 H5' DA 12 H5' DA 12 -11.986 -19.569 -2.752 602 H5'' DA 12 H5" DA 12 -12.188 -20.836 -3.979 603 H4' DA 12 H4' DA 12 -10.280 -21.574 -3.042 604 H3' DA 12 H3' DA 12 -12.359 -23.148 -2.258 605 H2' DA 12 H2' DA 12 -12.675 -22.285 -0.068 606 H2'' DA 12 H2" DA 12 -11.463 -23.511 0.279 607 H1' DA 12 H1' DA 12 -9.653 -21.941 0.220 608 H8 DA 12 8H DA 12 -13.162 -20.656 1.107 609 H61 DA 12 2H6 DA 12 -11.892 -17.866 4.886 610 H62 DA 12 1H6 DA 12 -10.347 -17.399 5.560 611 H2 DA 12 2H DA 12 -7.187 -19.333 3.041 612 H5' DT 21 H5' DT 21 -0.933 -19.921 7.908 613 H5'' DT 21 H5" DT 21 -2.615 -19.387 8.079 614 H4' DT 21 H4' DT 21 -1.319 -20.014 5.433 615 H3' DT 21 H3' DT 21 -0.414 -17.897 6.837 616 H2' DT 21 H2' DT 21 -2.508 -16.790 7.192 617 H2'' DT 21 H2" DT 21 -1.990 -16.026 5.698 618 H1' DT 21 H1' DT 21 -3.312 -17.498 4.330 619 H3 DT 21 3H DT 21 -7.852 -17.853 5.104 620 H71 DT 21 1H7 DT 21 -6.468 -14.215 8.220 621 H72 DT 21 2H7 DT 21 -5.567 -15.361 9.242 622 H73 DT 21 3H7 DT 21 -7.328 -15.535 9.049 623 H6 DT 21 6H DT 21 -4.098 -16.101 7.465 624 H5' DG 22 H5' DG 22 -0.085 -17.102 2.078 625 H5'' DG 22 H5" DG 22 1.393 -16.157 1.795 626 H4' DG 22 H4' DG 22 -0.166 -15.154 0.414 627 H3' DG 22 H3' DG 22 0.121 -13.594 2.953 628 H2' DG 22 H2' DG 22 -1.682 -12.178 2.368 629 H2'' DG 22 H2" DG 22 -1.472 -12.465 0.645 630 H1' DG 22 H1' DG 22 -3.094 -14.071 0.713 631 H8 DG 22 8H DG 22 -2.199 -13.300 4.380 632 H1 DG 22 1H DG 22 -8.296 -14.961 3.276 633 H21 DG 22 1H2 DG 22 -8.562 -15.536 1.216 634 H22 DG 22 2H2 DG 22 -7.284 -15.544 0.033 635 H5' DG 23 H5' DG 23 0.000 -12.504 -0.941 636 H5'' DG 23 H5" DG 23 0.668 -11.094 -1.790 637 H4' DG 23 H4' DG 23 -1.646 -11.534 -2.415 638 H3' DG 23 H3' DG 23 -0.697 -8.983 -1.539 639 H2' DG 23 H2' DG 23 -2.344 -8.493 0.036 640 H2'' DG 23 H2" DG 23 -3.484 -8.493 -1.303 641 H1' DG 23 H1' DG 23 -4.204 -10.679 -0.933 642 H8 DG 23 8H DG 23 -1.956 -9.933 2.132 643 H1 DG 23 1H DG 23 -8.163 -10.945 3.386 644 H21 DG 23 1H2 DG 23 -9.254 -11.319 1.572 645 H22 DG 23 2H2 DG 23 -8.551 -11.335 -0.015 646 H5' DT 24 H5' DT 24 -4.043 -9.075 -4.141 647 H5'' DT 24 H5" DT 24 -4.101 -8.202 -5.686 648 H4' DT 24 H4' DT 24 -6.194 -7.788 -4.898 649 H3' DT 24 H3' DT 24 -4.437 -5.527 -4.092 650 H2' DT 24 H2' DT 24 -5.896 -4.787 -2.425 651 H2'' DT 24 H2" DT 24 -7.304 -5.149 -3.414 652 H1' DT 24 H1' DT 24 -7.629 -7.202 -2.465 653 H3 DT 24 3H DT 24 -7.919 -7.025 1.970 654 H71 DT 24 1H7 DT 24 -3.521 -5.939 2.551 655 H72 DT 24 2H7 DT 24 -3.049 -5.282 0.966 656 H73 DT 24 3H7 DT 24 -2.828 -7.013 1.312 657 H6 DT 24 6H DT 24 -4.296 -6.383 -1.064 658 H5' DC 25 H5' DC 25 -8.245 -5.788 -5.938 659 H5'' DC 25 H5" DC 25 -8.484 -4.853 -7.429 660 H4' DC 25 H4' DC 25 -10.618 -5.414 -6.535 661 H3' DC 25 H3' DC 25 -10.113 -2.877 -7.245 662 H2' DC 25 H2' DC 25 -9.465 -2.003 -5.113 663 H2'' DC 25 H2" DC 25 -11.191 -1.671 -5.075 664 H1' DC 25 H1' DC 25 -11.677 -3.587 -3.745 665 H41 DC 25 1H4 DC 25 -8.258 -2.516 1.463 666 H42 DC 25 2H4 DC 25 -6.788 -2.291 0.540 667 H5 DC 25 5H DC 25 -6.707 -2.486 -1.871 668 H6 DC 25 6H DC 25 -8.013 -2.941 -3.881 669 H5' DA 26 H5' DA 26 -13.759 -2.758 -4.677 670 H5'' DA 26 H5" DA 26 -15.032 -2.873 -5.912 671 H4' DA 26 H4' DA 26 -16.194 -1.709 -4.385 672 H3' DA 26 H3' DA 26 -15.552 -0.037 -6.368 673 H2' DA 26 H2' DA 26 -13.558 0.931 -5.488 674 H2'' DA 26 H2" DA 26 -14.738 2.047 -4.817 675 H1' DA 26 H1' DA 26 -14.692 1.062 -2.678 676 H8 DA 26 8H DA 26 -11.707 0.334 -4.963 677 H61 DA 26 2H6 DA 26 -8.201 0.747 -1.623 678 H62 DA 26 1H6 DA 26 -8.218 0.957 0.113 679 H2 DA 26 2H DA 26 -12.524 1.092 1.360 680 H5' DA 27 H5' DA 27 -18.154 1.837 -2.665 681 H5'' DA 27 H5" DA 27 -19.472 2.425 -3.698 682 H4' DA 27 H4' DA 27 -19.488 3.702 -1.702 683 H3' DA 27 H3' DA 27 -19.473 4.987 -4.069 684 H2' DA 27 H2' DA 27 -17.125 5.442 -4.223 685 H2'' DA 27 H2" DA 27 -17.679 6.900 -3.412 686 H1' DA 27 H1' DA 27 -17.071 6.091 -1.242 687 H8 DA 27 8H DA 27 -15.186 4.982 -4.346 688 H61 DA 27 2H6 DA 27 -10.716 4.831 -2.433 689 H62 DA 27 1H6 DA 27 -10.110 4.967 -0.798 690 H2 DA 27 2H DA 27 -13.667 5.571 1.863 691 H5' DA 28 H5' DA 28 -19.008 7.317 -0.359 692 H5'' DA 28 H5" DA 28 -20.595 8.058 -0.066 693 H4' DA 28 H4' DA 28 -19.399 9.461 1.205 694 H3' DA 28 H3' DA 28 -19.998 10.763 -1.059 695 H2' DA 28 H2' DA 28 -18.001 10.326 -2.299 696 H2'' DA 28 H2" DA 28 -17.558 11.840 -1.523 697 H1' DA 28 H1' DA 28 -16.302 10.763 0.191 698 H8 DA 28 8H DA 28 -16.917 8.699 -2.997 699 H61 DA 28 2H6 DA 28 -12.354 7.149 -3.650 700 H62 DA 28 1H6 DA 28 -10.891 7.301 -2.703 701 H2 DA 28 2H DA 28 -11.960 9.635 0.973 702 H5' DG 29 H5' DG 29 -17.897 13.767 2.602 703 H5'' DG 29 H5" DG 29 -18.739 15.215 2.018 704 H4' DG 29 H4' DG 29 -16.462 15.515 3.111 705 H3' DG 29 H3' DG 29 -17.671 17.107 1.266 706 H2' DG 29 H2' DG 29 -16.600 16.291 -0.699 707 H2'' DG 29 H2" DG 29 -15.428 17.509 -0.216 708 H1' DG 29 H1' DG 29 -14.001 15.924 0.857 709 H8 DG 29 8H DG 29 -16.404 14.502 -1.799 710 H1 DG 29 1H DG 29 -10.329 12.479 -2.177 711 H21 DG 29 1H2 DG 29 -9.163 13.241 -0.483 712 H22 DG 29 2H2 DG 29 -9.867 14.251 0.758 713 H5' DG 30 H5' DG 30 -13.854 19.655 3.394 714 H5'' DG 30 H5" DG 30 -14.600 21.267 3.385 715 H4' DG 30 H4' DG 30 -12.207 21.293 2.819 716 H3' DG 30 H3' DG 30 -14.084 22.849 1.626 717 H2' DG 30 H2' DG 30 -14.429 21.547 -0.347 718 H2'' DG 30 H2" DG 30 -13.116 22.583 -0.892 719 H1' DG 30 H1' DG 30 -11.437 20.935 -0.431 720 H8 DG 30 8H DG 30 -15.009 19.791 -1.199 721 H1 DG 30 1H DG 30 -10.368 16.208 -3.801 722 H21 DG 30 1H2 DG 30 -8.406 16.828 -3.041 723 H22 DG 30 2H2 DG 30 -8.220 18.132 -1.890 Start of MODEL 19 1 H LEU 407 H LEU 407 7.117 6.024 3.929 2 HA LEU 407 HA LEU 407 5.618 6.145 1.402 3 HB2 LEU 407 2HB LEU 407 5.167 7.308 4.018 4 HB3 LEU 407 1HB LEU 407 5.416 8.556 2.813 5 HG LEU 407 HG LEU 407 3.323 6.385 2.737 6 HD11 LEU 407 2HD1 LEU 407 3.020 9.374 2.951 7 HD12 LEU 407 3HD1 LEU 407 2.926 8.259 4.314 8 HD13 LEU 407 1HD1 LEU 407 1.739 8.164 3.012 9 HD21 LEU 407 1HD2 LEU 407 2.702 8.218 0.787 10 HD22 LEU 407 2HD2 LEU 407 3.424 6.631 0.519 11 HD23 LEU 407 3HD2 LEU 407 4.453 8.058 0.634 12 H LEU 408 H LEU 408 8.159 5.765 1.016 13 HA LEU 408 HA LEU 408 9.510 8.370 0.991 14 HB2 LEU 408 2HB LEU 408 10.812 6.594 1.968 15 HB3 LEU 408 1HB LEU 408 10.541 5.565 0.575 16 HG LEU 408 HG LEU 408 11.759 7.950 -0.371 17 HD11 LEU 408 1HD1 LEU 408 12.448 8.179 2.048 18 HD12 LEU 408 2HD1 LEU 408 13.761 8.131 0.871 19 HD13 LEU 408 3HD1 LEU 408 13.383 6.700 1.831 20 HD21 LEU 408 3HD2 LEU 408 11.967 5.807 -1.447 21 HD22 LEU 408 1HD2 LEU 408 12.769 5.130 -0.030 22 HD23 LEU 408 2HD2 LEU 408 13.572 6.376 -0.986 23 H ASP 409 H ASP 409 8.547 9.376 -0.755 24 HA ASP 409 HA ASP 409 8.635 8.007 -3.343 25 HB2 ASP 409 2HB ASP 409 7.198 10.468 -2.360 26 HB3 ASP 409 1HB ASP 409 7.313 10.079 -4.074 27 H ASP 410 H ASP 410 10.573 8.203 -4.270 28 HA ASP 410 HA ASP 410 11.883 10.840 -4.252 29 HB2 ASP 410 2HB ASP 410 12.911 8.044 -4.286 30 HB3 ASP 410 1HB ASP 410 13.835 9.258 -5.167 31 H GLY 411 H GLY 411 9.673 10.007 -5.985 32 HA2 GLY 411 2HA GLY 411 9.706 11.142 -8.241 33 HA3 GLY 411 1HA GLY 411 11.037 10.047 -8.606 34 H TYR 412 H TYR 412 7.719 9.904 -7.333 35 HA TYR 412 HA TYR 412 6.638 8.352 -9.360 36 HB2 TYR 412 2HB TYR 412 8.179 6.822 -7.373 37 HB3 TYR 412 1HB TYR 412 6.542 6.229 -7.625 38 HD1 TYR 412 1HD TYR 412 5.935 6.273 -10.318 39 HD2 TYR 412 2HD TYR 412 9.781 5.718 -8.590 40 HE1 TYR 412 1HE TYR 412 6.668 5.092 -12.341 41 HE2 TYR 412 2HE TYR 412 10.528 4.540 -10.613 42 HH TYR 412 HH TYR 412 9.423 4.718 -13.360 43 H ARG 413 H ARG 413 4.488 7.557 -8.850 44 HA ARG 413 HA ARG 413 3.378 8.830 -6.436 45 HB2 ARG 413 2HB ARG 413 2.195 8.433 -9.180 46 HB3 ARG 413 1HB ARG 413 1.202 8.812 -7.780 47 HG2 ARG 413 2HG ARG 413 3.537 10.547 -8.424 48 HG3 ARG 413 1HG ARG 413 2.046 10.708 -9.354 49 HD2 ARG 413 2HD ARG 413 1.985 12.273 -7.537 50 HD3 ARG 413 1HD ARG 413 0.815 10.996 -7.220 51 HE ARG 413 HE ARG 413 3.449 10.708 -6.015 52 HH11 ARG 413 1HH1 ARG 413 0.094 11.599 -5.609 53 HH12 ARG 413 2HH1 ARG 413 0.140 11.456 -3.886 54 HH21 ARG 413 1HH2 ARG 413 3.506 10.528 -3.749 55 HH22 ARG 413 2HH2 ARG 413 2.074 10.852 -2.830 56 H TRP 414 H TRP 414 2.612 7.480 -4.949 57 HA TRP 414 HA TRP 414 1.763 4.796 -5.816 58 HB2 TRP 414 2HB TRP 414 3.060 5.387 -3.162 59 HB3 TRP 414 1HB TRP 414 2.787 3.820 -3.917 60 HD1 TRP 414 HD TRP 414 5.033 6.938 -4.286 61 HE1 TRP 414 1HE TRP 414 7.180 6.241 -5.527 62 HE3 TRP 414 3HE TRP 414 3.774 2.118 -5.400 63 HZ2 TRP 414 2HZ TRP 414 8.199 3.933 -6.815 64 HZ3 TRP 414 3HZ TRP 414 5.383 0.729 -6.643 65 HH2 TRP 414 HH TRP 414 7.550 1.619 -7.333 66 H ARG 415 H ARG 415 -0.058 3.948 -4.969 67 HA ARG 415 HA ARG 415 -1.687 5.731 -3.301 68 HB2 ARG 415 2HB ARG 415 -2.700 5.126 -5.421 69 HB3 ARG 415 1HB ARG 415 -2.460 3.418 -5.088 70 HG2 ARG 415 2HG ARG 415 -4.021 3.562 -3.213 71 HG3 ARG 415 1HG ARG 415 -4.265 5.276 -3.554 72 HD2 ARG 415 2HD ARG 415 -5.989 4.572 -4.801 73 HD3 ARG 415 1HD ARG 415 -4.752 4.164 -5.990 74 HE ARG 415 HE ARG 415 -4.864 1.929 -4.514 75 HH11 ARG 415 1HH1 ARG 415 -7.375 3.861 -5.987 76 HH12 ARG 415 2HH1 ARG 415 -8.443 2.517 -6.220 77 HH21 ARG 415 1HH2 ARG 415 -6.271 0.164 -4.826 78 HH22 ARG 415 2HH2 ARG 415 -7.819 0.422 -5.559 79 H LYS 416 H LYS 416 -1.964 5.257 -1.236 80 HA LYS 416 HA LYS 416 -0.971 2.869 -0.047 81 HB2 LYS 416 2HB LYS 416 -0.939 4.904 1.227 82 HB3 LYS 416 1HB LYS 416 -2.664 5.142 1.002 83 HG2 LYS 416 2HG LYS 416 -2.714 2.781 2.269 84 HG3 LYS 416 1HG LYS 416 -1.215 3.437 2.927 85 HD2 LYS 416 2HD LYS 416 -3.437 5.345 2.853 86 HD3 LYS 416 1HD LYS 416 -3.721 3.946 3.890 87 HE2 LYS 416 2HE LYS 416 -1.529 4.385 4.978 88 HE3 LYS 416 1HE LYS 416 -1.396 5.860 4.019 89 HZ1 LYS 416 3HZ LYS 416 -3.123 5.272 6.297 90 HZ2 LYS 416 1HZ LYS 416 -3.764 6.260 5.082 91 HZ3 LYS 416 2HZ LYS 416 -2.341 6.712 5.876 92 H TYR 417 H TYR 417 -2.043 1.027 0.597 93 HA TYR 417 HA TYR 417 -4.895 0.929 0.753 94 HB2 TYR 417 2HB TYR 417 -5.490 -0.271 -1.146 95 HB3 TYR 417 1HB TYR 417 -4.328 0.897 -1.764 96 HD1 TYR 417 1HD TYR 417 -4.644 -2.644 -0.642 97 HD2 TYR 417 2HD TYR 417 -2.436 0.173 -2.947 98 HE1 TYR 417 1HE TYR 417 -3.323 -4.482 -1.609 99 HE2 TYR 417 2HE TYR 417 -1.110 -1.655 -3.916 100 HH TYR 417 HH TYR 417 -1.964 -4.957 -3.526 101 H GLY 418 H GLY 418 -5.615 -0.674 1.960 102 HA2 GLY 418 2HA GLY 418 -5.729 -2.727 2.998 103 HA3 GLY 418 1HA GLY 418 -4.317 -3.221 2.095 104 H GLN 419 H GLN 419 -5.268 -1.212 4.898 105 HA GLN 419 HA GLN 419 -2.631 -1.330 6.017 106 HB2 GLN 419 2HB GLN 419 -4.163 0.531 6.536 107 HB3 GLN 419 1HB GLN 419 -5.261 -0.596 7.326 108 HG2 GLN 419 2HG GLN 419 -3.982 0.549 8.992 109 HG3 GLN 419 1HG GLN 419 -3.482 -1.138 8.947 110 HE21 GLN 419 1HE2 GLN 419 -2.556 2.140 8.413 111 HE22 GLN 419 2HE2 GLN 419 -0.880 1.846 8.121 112 H LYS 420 H LYS 420 -1.777 -2.951 7.128 113 HA LYS 420 HA LYS 420 -3.427 -4.710 8.745 114 HB2 LYS 420 2HB LYS 420 -2.734 -5.430 6.087 115 HB3 LYS 420 1HB LYS 420 -1.784 -6.442 7.164 116 HG2 LYS 420 2HG LYS 420 -3.876 -7.082 8.327 117 HG3 LYS 420 1HG LYS 420 -4.778 -6.159 7.125 118 HD2 LYS 420 2HD LYS 420 -4.709 -8.562 6.596 119 HD3 LYS 420 1HD LYS 420 -3.934 -7.581 5.352 120 HE2 LYS 420 2HE LYS 420 -1.779 -8.223 6.035 121 HE3 LYS 420 1HE LYS 420 -2.362 -8.839 7.581 122 HZ1 LYS 420 3HZ LYS 420 -2.337 -10.108 4.967 123 HZ2 LYS 420 1HZ LYS 420 -3.716 -10.387 5.906 124 HZ3 LYS 420 2HZ LYS 420 -2.187 -10.795 6.506 125 H VAL 421 H VAL 421 -2.187 -6.173 10.084 126 HA VAL 421 HA VAL 421 0.579 -5.244 10.490 127 HB VAL 421 HB VAL 421 -0.891 -4.645 12.358 128 HG11 VAL 421 1HG1 VAL 421 -1.519 -7.572 12.316 129 HG12 VAL 421 2HG1 VAL 421 -2.620 -6.196 12.375 130 HG13 VAL 421 3HG1 VAL 421 -1.678 -6.634 13.801 131 HG21 VAL 421 3HG2 VAL 421 0.388 -5.874 14.173 132 HG22 VAL 421 1HG2 VAL 421 1.355 -5.008 12.977 133 HG23 VAL 421 2HG2 VAL 421 1.182 -6.761 12.873 134 H VAL 422 H VAL 422 2.184 -6.753 10.844 135 HA VAL 422 HA VAL 422 1.407 -9.570 10.452 136 HB VAL 422 HB VAL 422 3.688 -9.822 9.350 137 HG11 VAL 422 1HG1 VAL 422 2.794 -8.712 7.180 138 HG12 VAL 422 2HG1 VAL 422 1.357 -8.387 8.150 139 HG13 VAL 422 3HG1 VAL 422 1.898 -10.049 7.904 140 HG21 VAL 422 3HG2 VAL 422 4.588 -7.659 10.123 141 HG22 VAL 422 1HG2 VAL 422 3.431 -6.829 9.082 142 HG23 VAL 422 2HG2 VAL 422 4.684 -7.846 8.371 143 H LYS 423 H LYS 423 2.630 -11.155 11.487 144 HA LYS 423 HA LYS 423 3.746 -10.370 14.010 145 HB2 LYS 423 2HB LYS 423 3.681 -13.119 12.757 146 HB3 LYS 423 1HB LYS 423 3.899 -12.738 14.459 147 HG2 LYS 423 2HG LYS 423 1.711 -13.163 14.607 148 HG3 LYS 423 1HG LYS 423 1.523 -11.531 13.958 149 HD2 LYS 423 2HD LYS 423 1.845 -12.983 11.680 150 HD3 LYS 423 1HD LYS 423 0.997 -14.138 12.709 151 HE2 LYS 423 2HE LYS 423 -0.684 -12.335 13.180 152 HE3 LYS 423 1HE LYS 423 0.110 -11.364 11.941 153 HZ1 LYS 423 3HZ LYS 423 -1.407 -12.355 10.628 154 HZ2 LYS 423 1HZ LYS 423 -1.618 -13.681 11.658 155 HZ3 LYS 423 2HZ LYS 423 -0.292 -13.627 10.608 156 H GLY 424 H GLY 424 5.843 -11.810 14.623 157 HA2 GLY 424 2HA GLY 424 8.120 -12.062 14.341 158 HA3 GLY 424 1HA GLY 424 7.827 -12.108 12.608 159 H ASN 425 H ASN 425 6.384 -9.404 13.278 160 HA ASN 425 HA ASN 425 8.507 -7.570 13.800 161 HB2 ASN 425 2HB ASN 425 8.884 -8.181 11.394 162 HB3 ASN 425 1HB ASN 425 7.256 -7.617 11.035 163 HD21 ASN 425 1HD2 ASN 425 6.819 -5.422 11.049 164 HD22 ASN 425 2HD2 ASN 425 8.069 -4.231 11.032 165 HA PRO 426 HA PRO 426 3.822 -7.101 15.068 166 HB2 PRO 426 2HB PRO 426 5.638 -5.684 16.991 167 HB3 PRO 426 1HB PRO 426 4.100 -6.492 17.299 168 HG2 PRO 426 2HG PRO 426 6.515 -7.675 17.727 169 HG3 PRO 426 1HG PRO 426 5.047 -8.577 17.320 170 HD2 PRO 426 2HD PRO 426 7.447 -8.232 15.743 171 HD3 PRO 426 1HD PRO 426 6.019 -9.220 15.378 172 H TYR 427 H TYR 427 4.106 -5.807 12.920 173 HA TYR 427 HA TYR 427 3.623 -3.022 13.634 174 HB2 TYR 427 2HB TYR 427 5.934 -3.880 11.916 175 HB3 TYR 427 1HB TYR 427 5.202 -2.291 11.724 176 HD1 TYR 427 2HD TYR 427 6.860 -4.505 14.213 177 HD2 TYR 427 1HD TYR 427 5.794 -0.522 13.150 178 HE1 TYR 427 2HE TYR 427 8.244 -3.648 16.053 179 HE2 TYR 427 1HE TYR 427 7.176 0.343 14.990 180 HH TYR 427 HH TYR 427 9.365 -1.646 16.739 181 HA PRO 428 HA PRO 428 0.809 -3.384 10.263 182 HB2 PRO 428 2HB PRO 428 0.047 -0.839 9.996 183 HB3 PRO 428 1HB PRO 428 -0.336 -1.758 11.457 184 HG2 PRO 428 2HG PRO 428 1.812 0.270 11.002 185 HG3 PRO 428 1HG PRO 428 0.772 0.039 12.419 186 HD2 PRO 428 2HD PRO 428 3.371 -0.886 12.200 187 HD3 PRO 428 1HD PRO 428 2.153 -1.541 13.311 188 H ARG 429 H ARG 429 1.263 -3.717 8.183 189 HA ARG 429 HA ARG 429 3.303 -2.089 6.878 190 HB2 ARG 429 2HB ARG 429 3.366 -3.811 5.182 191 HB3 ARG 429 1HB ARG 429 3.455 -4.562 6.768 192 HG2 ARG 429 2HG ARG 429 0.825 -4.698 6.420 193 HG3 ARG 429 1HG ARG 429 1.316 -4.676 4.725 194 HD2 ARG 429 2HD ARG 429 2.026 -6.666 6.859 195 HD3 ARG 429 1HD ARG 429 1.216 -6.947 5.318 196 HE ARG 429 HE ARG 429 3.979 -5.995 5.263 197 HH11 ARG 429 1HH1 ARG 429 1.726 -8.634 4.837 198 HH12 ARG 429 2HH1 ARG 429 2.851 -9.612 3.959 199 HH21 ARG 429 1HH2 ARG 429 5.453 -7.286 4.108 200 HH22 ARG 429 2HH2 ARG 429 4.963 -8.847 3.543 201 H SER 430 H SER 430 2.941 -1.489 4.586 202 HA SER 430 HA SER 430 0.132 -0.874 3.987 203 HB2 SER 430 2HB SER 430 2.176 1.166 3.255 204 HB3 SER 430 1HB SER 430 0.486 1.379 3.710 205 HG SER 430 HG SER 430 1.099 0.938 5.872 206 H TYR 431 H TYR 431 -0.425 -1.078 1.849 207 HA TYR 431 HA TYR 431 1.707 -2.070 0.093 208 HB2 TYR 431 2HB TYR 431 -1.277 -2.368 -0.273 209 HB3 TYR 431 1HB TYR 431 -0.012 -3.185 -1.183 210 HD1 TYR 431 1HD TYR 431 -1.505 -2.893 2.206 211 HD2 TYR 431 2HD TYR 431 0.889 -5.223 -0.429 212 HE1 TYR 431 1HE TYR 431 -1.538 -4.745 3.825 213 HE2 TYR 431 2HE TYR 431 0.861 -7.081 1.183 214 HH TYR 431 HH TYR 431 -1.226 -7.476 3.497 215 H TYR 432 H TYR 432 2.574 -0.373 -0.903 216 HA TYR 432 HA TYR 432 0.839 1.662 -2.096 217 HB2 TYR 432 2HB TYR 432 3.706 1.540 -1.267 218 HB3 TYR 432 1HB TYR 432 3.264 2.640 -2.566 219 HD1 TYR 432 2HD TYR 432 1.364 4.307 -2.084 220 HD2 TYR 432 1HD TYR 432 3.455 2.190 0.955 221 HE1 TYR 432 2HE TYR 432 0.637 5.977 -0.427 222 HE2 TYR 432 1HE TYR 432 2.740 3.851 2.620 223 HH TYR 432 HH TYR 432 0.356 6.258 1.909 224 H LYS 433 H LYS 433 0.222 1.255 -4.142 225 HA LYS 433 HA LYS 433 2.117 -0.157 -5.896 226 HB2 LYS 433 2HB LYS 433 0.119 -0.673 -7.302 227 HB3 LYS 433 1HB LYS 433 0.072 -1.382 -5.694 228 HG2 LYS 433 2HG LYS 433 -1.435 0.393 -4.953 229 HG3 LYS 433 1HG LYS 433 -1.389 1.101 -6.570 230 HD2 LYS 433 2HD LYS 433 -2.069 -1.743 -6.549 231 HD3 LYS 433 1HD LYS 433 -3.229 -0.731 -5.684 232 HE2 LYS 433 2HE LYS 433 -3.791 -1.032 -8.076 233 HE3 LYS 433 1HE LYS 433 -3.539 0.655 -7.630 234 HZ1 LYS 433 3HZ LYS 433 -2.456 -0.301 -9.766 235 HZ2 LYS 433 1HZ LYS 433 -1.287 -0.901 -8.699 236 HZ3 LYS 433 2HZ LYS 433 -1.578 0.763 -8.788 237 H CYS 434 H CYS 434 3.182 1.070 -7.290 238 HA CYS 434 HA CYS 434 2.601 3.759 -7.813 239 HB2 CYS 434 2HB CYS 434 4.826 3.185 -8.188 240 HB3 CYS 434 1HB CYS 434 4.409 1.733 -9.085 241 H THR 435 H THR 435 1.195 4.689 -9.083 242 HA THR 435 HA THR 435 -0.110 3.104 -11.189 243 HB THR 435 HB THR 435 -1.939 4.783 -11.076 244 HG1 THR 435 1HG THR 435 -1.744 6.511 -9.851 245 HG21 THR 435 3HG2 THR 435 -1.622 3.877 -8.265 246 HG22 THR 435 1HG2 THR 435 -1.632 2.646 -9.527 247 HG23 THR 435 2HG2 THR 435 -3.007 3.737 -9.348 248 H THR 436 H THR 436 -0.384 4.081 -13.280 249 HA THR 436 HA THR 436 0.569 6.684 -13.842 250 HB THR 436 HB THR 436 2.275 4.524 -15.061 251 HG1 THR 436 1HG THR 436 2.974 6.072 -12.774 252 HG21 THR 436 3HG2 THR 436 2.742 7.479 -14.648 253 HG22 THR 436 1HG2 THR 436 2.188 6.736 -16.149 254 HG23 THR 436 2HG2 THR 436 3.794 6.364 -15.521 255 HA PRO 437 HA PRO 437 -2.334 5.882 -17.104 256 HB2 PRO 437 2HB PRO 437 -1.227 7.637 -18.977 257 HB3 PRO 437 1HB PRO 437 -2.438 8.057 -17.762 258 HG2 PRO 437 2HG PRO 437 0.516 8.457 -17.715 259 HG3 PRO 437 1HG PRO 437 -0.772 9.498 -17.079 260 HD2 PRO 437 2HD PRO 437 0.725 7.978 -15.457 261 HD3 PRO 437 1HD PRO 437 -1.004 8.239 -15.143 262 H GLY 438 H GLY 438 -1.419 3.696 -17.368 263 HA2 GLY 438 2HA GLY 438 -1.020 2.399 -19.407 264 HA3 GLY 438 1HA GLY 438 0.278 3.526 -19.772 265 H CYS 439 H CYS 439 0.243 2.945 -16.466 266 HA CYS 439 HA CYS 439 1.916 0.562 -16.646 267 HB2 CYS 439 2HB CYS 439 3.830 1.684 -16.499 268 HB3 CYS 439 1HB CYS 439 2.969 3.209 -16.377 269 H GLY 440 H GLY 440 2.538 -0.315 -14.592 270 HA2 GLY 440 2HA GLY 440 1.120 0.487 -12.203 271 HA3 GLY 440 1HA GLY 440 0.513 -0.999 -12.917 272 H VAL 441 H VAL 441 2.610 0.244 -10.686 273 HA VAL 441 HA VAL 441 4.136 -2.273 -10.585 274 HB VAL 441 HB VAL 441 5.173 0.526 -10.541 275 HG11 VAL 441 1HG1 VAL 441 5.793 -0.230 -8.313 276 HG12 VAL 441 2HG1 VAL 441 7.214 -0.151 -9.355 277 HG13 VAL 441 3HG1 VAL 441 6.477 -1.709 -8.988 278 HG21 VAL 441 3HG2 VAL 441 7.131 -0.728 -11.603 279 HG22 VAL 441 1HG2 VAL 441 5.628 -0.625 -12.518 280 HG23 VAL 441 2HG2 VAL 441 6.041 -2.114 -11.666 281 H ARG 442 H ARG 442 4.983 -2.754 -8.373 282 HA ARG 442 HA ARG 442 3.204 -1.619 -6.318 283 HB2 ARG 442 2HB ARG 442 3.723 -4.382 -7.100 284 HB3 ARG 442 1HB ARG 442 3.897 -4.111 -5.372 285 HG2 ARG 442 2HG ARG 442 1.527 -2.806 -6.260 286 HG3 ARG 442 1HG ARG 442 1.529 -4.465 -6.865 287 HD2 ARG 442 2HD ARG 442 2.206 -3.872 -4.008 288 HD3 ARG 442 1HD ARG 442 0.527 -3.984 -4.531 289 HE ARG 442 HE ARG 442 2.406 -6.149 -4.236 290 HH11 ARG 442 1HH1 ARG 442 -0.558 -5.097 -5.750 291 HH12 ARG 442 2HH1 ARG 442 -1.152 -6.706 -5.988 292 HH21 ARG 442 1HH2 ARG 442 1.628 -8.260 -4.547 293 HH22 ARG 442 2HH2 ARG 442 0.091 -8.504 -5.307 294 H LYS 443 H LYS 443 3.988 -1.275 -4.273 295 HA LYS 443 HA LYS 443 6.826 -1.760 -3.742 296 HB2 LYS 443 2HB LYS 443 7.012 0.451 -4.478 297 HB3 LYS 443 1HB LYS 443 5.456 0.910 -3.809 298 HG2 LYS 443 2HG LYS 443 6.414 0.746 -1.543 299 HG3 LYS 443 1HG LYS 443 7.981 0.366 -2.260 300 HD2 LYS 443 2HD LYS 443 8.289 2.599 -2.106 301 HD3 LYS 443 1HD LYS 443 7.369 2.618 -3.611 302 HE2 LYS 443 2HE LYS 443 5.308 2.985 -2.329 303 HE3 LYS 443 1HE LYS 443 6.245 2.992 -0.835 304 HZ1 LYS 443 3HZ LYS 443 7.309 4.979 -1.447 305 HZ2 LYS 443 1HZ LYS 443 5.675 5.227 -1.807 306 HZ3 LYS 443 2HZ LYS 443 6.772 4.889 -3.048 307 H HIS 444 H HIS 444 7.293 -2.125 -1.580 308 HA HIS 444 HA HIS 444 4.948 -2.232 0.200 309 HB2 HIS 444 2HB HIS 444 7.048 -4.150 -0.404 310 HB3 HIS 444 1HB HIS 444 6.908 -3.858 1.326 311 HD1 HIS 444 1HD HIS 444 4.993 -5.217 -1.600 312 HD2 HIS 444 2HD HIS 444 4.602 -4.859 2.521 313 HE1 HIS 444 1HE HIS 444 3.036 -6.670 -0.982 314 HE2 HIS 444 2HE HIS 444 2.876 -6.508 1.528 315 H VAL 445 H VAL 445 5.077 -1.492 2.286 316 HA VAL 445 HA VAL 445 7.562 -0.135 3.092 317 HB VAL 445 HB VAL 445 4.808 1.026 3.527 318 HG11 VAL 445 1HG1 VAL 445 7.485 2.384 3.722 319 HG12 VAL 445 2HG1 VAL 445 6.689 1.620 5.100 320 HG13 VAL 445 3HG1 VAL 445 5.917 2.976 4.277 321 HG21 VAL 445 3HG2 VAL 445 5.253 2.583 1.744 322 HG22 VAL 445 1HG2 VAL 445 5.392 0.940 1.118 323 HG23 VAL 445 2HG2 VAL 445 6.845 1.874 1.472 324 H GLU 446 H GLU 446 8.235 -0.864 5.017 325 HA GLU 446 HA GLU 446 6.244 -1.599 7.040 326 HB2 GLU 446 2HB GLU 446 8.174 -3.378 5.719 327 HB3 GLU 446 1HB GLU 446 8.196 -3.469 7.474 328 HG2 GLU 446 2HG GLU 446 6.582 -4.980 7.179 329 HG3 GLU 446 1HG GLU 446 5.541 -3.568 7.006 330 H ARG 447 H ARG 447 7.068 -1.656 9.219 331 HA ARG 447 HA ARG 447 9.368 0.143 9.572 332 HB2 ARG 447 2HB ARG 447 6.996 -0.435 11.346 333 HB3 ARG 447 1HB ARG 447 8.380 0.516 11.863 334 HG2 ARG 447 2HG ARG 447 7.439 2.321 11.004 335 HG3 ARG 447 1HG ARG 447 7.533 1.591 9.400 336 HD2 ARG 447 2HD ARG 447 5.345 0.373 10.650 337 HD3 ARG 447 1HD ARG 447 5.230 2.083 11.062 338 HE ARG 447 HE ARG 447 4.662 0.925 8.556 339 HH11 ARG 447 1HH1 ARG 447 6.202 3.729 9.951 340 HH12 ARG 447 2HH1 ARG 447 5.881 4.740 8.582 341 HH21 ARG 447 1HH2 ARG 447 4.242 2.253 6.756 342 HH22 ARG 447 2HH2 ARG 447 4.768 3.903 6.769 343 H ALA 448 H ALA 448 11.198 -0.723 10.270 344 HA ALA 448 HA ALA 448 11.721 -3.326 10.832 345 HB1 ALA 448 1HB ALA 448 13.243 -1.148 10.660 346 HB2 ALA 448 2HB ALA 448 13.826 -2.671 11.330 347 HB3 ALA 448 3HB ALA 448 13.292 -1.382 12.407 348 H ALA 449 H ALA 449 11.123 -4.692 12.310 349 HA ALA 449 HA ALA 449 9.499 -4.339 14.448 350 HB1 ALA 449 1HB ALA 449 9.783 -6.524 14.789 351 HB2 ALA 449 2HB ALA 449 11.515 -6.346 15.067 352 HB3 ALA 449 3HB ALA 449 10.896 -6.470 13.422 353 H THR 450 H THR 450 13.049 -4.234 14.593 354 HA THR 450 HA THR 450 12.981 -3.474 17.396 355 HB THR 450 HB THR 450 15.579 -3.148 16.722 356 HG1 THR 450 1HG THR 450 16.133 -4.427 15.048 357 HG21 THR 450 3HG2 THR 450 14.135 -5.724 17.344 358 HG22 THR 450 1HG2 THR 450 14.851 -4.593 18.494 359 HG23 THR 450 2HG2 THR 450 15.886 -5.531 17.417 360 H ASP 451 H ASP 451 13.353 -1.993 14.281 361 HA ASP 451 HA ASP 451 13.863 0.606 15.576 362 HB2 ASP 451 2HB ASP 451 15.396 -0.521 13.672 363 HB3 ASP 451 1HB ASP 451 14.251 0.341 12.648 364 HA PRO 452 HA PRO 452 9.533 1.042 14.153 365 HB2 PRO 452 2HB PRO 452 9.488 3.201 16.136 366 HB3 PRO 452 1HB PRO 452 8.476 1.760 16.031 367 HG2 PRO 452 2HG PRO 452 10.343 2.075 17.953 368 HG3 PRO 452 1HG PRO 452 9.924 0.489 17.286 369 HD2 PRO 452 2HD PRO 452 12.278 2.238 16.687 370 HD3 PRO 452 1HD PRO 452 12.203 0.475 16.879 371 H LYS 453 H LYS 453 12.239 3.138 14.265 372 HA LYS 453 HA LYS 453 10.860 5.277 12.833 373 HB2 LYS 453 2HB LYS 453 13.773 5.269 13.577 374 HB3 LYS 453 1HB LYS 453 12.720 6.647 13.286 375 HG2 LYS 453 2HG LYS 453 11.588 6.322 15.352 376 HG3 LYS 453 1HG LYS 453 12.380 4.766 15.607 377 HD2 LYS 453 2HD LYS 453 14.096 7.169 15.262 378 HD3 LYS 453 1HD LYS 453 13.229 6.981 16.788 379 HE2 LYS 453 2HE LYS 453 15.314 5.956 17.137 380 HE3 LYS 453 1HE LYS 453 14.188 4.628 16.863 381 HZ1 LYS 453 3HZ LYS 453 15.028 4.252 14.744 382 HZ2 LYS 453 1HZ LYS 453 16.417 4.575 15.655 383 HZ3 LYS 453 2HZ LYS 453 15.770 5.768 14.646 384 H ALA 454 H ALA 454 12.748 2.513 12.192 385 HA ALA 454 HA ALA 454 13.747 3.543 9.654 386 HB1 ALA 454 1HB ALA 454 14.087 0.744 10.694 387 HB2 ALA 454 2HB ALA 454 15.116 2.077 11.217 388 HB3 ALA 454 3HB ALA 454 15.078 1.607 9.518 389 H VAL 455 H VAL 455 12.809 3.151 7.739 390 HA VAL 455 HA VAL 455 10.572 1.233 7.685 391 HB VAL 455 HB VAL 455 10.898 3.643 5.897 392 HG11 VAL 455 1HG1 VAL 455 8.710 3.211 5.144 393 HG12 VAL 455 2HG1 VAL 455 8.408 2.050 6.437 394 HG13 VAL 455 3HG1 VAL 455 9.524 1.647 5.133 395 HG21 VAL 455 3HG2 VAL 455 10.535 4.646 7.949 396 HG22 VAL 455 1HG2 VAL 455 9.542 3.314 8.541 397 HG23 VAL 455 2HG2 VAL 455 8.890 4.436 7.345 398 H VAL 456 H VAL 456 10.432 -0.236 6.043 399 HA VAL 456 HA VAL 456 12.798 -0.465 4.322 400 HB VAL 456 HB VAL 456 12.457 -2.765 4.180 401 HG11 VAL 456 1HG1 VAL 456 11.242 -2.786 6.828 402 HG12 VAL 456 2HG1 VAL 456 12.556 -1.618 6.676 403 HG13 VAL 456 3HG1 VAL 456 12.840 -3.319 6.307 404 HG21 VAL 456 3HG2 VAL 456 10.364 -3.312 3.537 405 HG22 VAL 456 1HG2 VAL 456 9.614 -2.086 4.557 406 HG23 VAL 456 2HG2 VAL 456 10.132 -3.619 5.259 407 H THR 457 H THR 457 12.627 -0.626 2.086 408 HA THR 457 HA THR 457 9.932 -0.299 0.962 409 HB THR 457 HB THR 457 12.064 1.160 -0.461 410 HG1 THR 457 1HG THR 457 11.051 2.034 2.059 411 HG21 THR 457 3HG2 THR 457 10.311 2.671 -0.952 412 HG22 THR 457 1HG2 THR 457 9.329 2.088 0.393 413 HG23 THR 457 2HG2 THR 457 9.585 1.065 -1.023 414 H THR 458 H THR 458 9.554 -1.956 -0.312 415 HA THR 458 HA THR 458 11.739 -2.980 -2.007 416 HB THR 458 HB THR 458 9.357 -4.633 -1.203 417 HG1 THR 458 1HG THR 458 11.775 -4.200 0.222 418 HG21 THR 458 3HG2 THR 458 10.742 -6.489 -1.798 419 HG22 THR 458 1HG2 THR 458 12.162 -5.453 -1.947 420 HG23 THR 458 2HG2 THR 458 10.842 -5.313 -3.108 421 H TYR 459 H TYR 459 11.374 -3.061 -4.168 422 HA TYR 459 HA TYR 459 8.759 -2.111 -5.100 423 HB2 TYR 459 2HB TYR 459 11.537 -1.927 -6.185 424 HB3 TYR 459 1HB TYR 459 10.185 -1.885 -7.311 425 HD1 TYR 459 2HD TYR 459 9.834 -0.464 -3.950 426 HD2 TYR 459 1HD TYR 459 10.739 0.373 -8.023 427 HE1 TYR 459 2HE TYR 459 9.557 1.937 -3.513 428 HE2 TYR 459 1HE TYR 459 10.465 2.777 -7.596 429 HH TYR 459 HH TYR 459 10.701 4.266 -5.227 430 H GLU 460 H GLU 460 7.404 -3.635 -5.737 431 HA GLU 460 HA GLU 460 8.394 -6.191 -6.703 432 HB2 GLU 460 2HB GLU 460 5.657 -5.148 -6.000 433 HB3 GLU 460 1HB GLU 460 5.879 -6.696 -6.803 434 HG2 GLU 460 2HG GLU 460 6.594 -7.709 -4.941 435 HG3 GLU 460 1HG GLU 460 7.527 -6.311 -4.412 436 H GLY 461 H GLY 461 9.136 -6.000 -8.754 437 HA2 GLY 461 2HA GLY 461 8.758 -6.127 -11.062 438 HA3 GLY 461 1HA GLY 461 7.158 -5.444 -10.815 439 H LYS 462 H LYS 462 8.568 -4.506 -12.900 440 HA LYS 462 HA LYS 462 9.595 -1.904 -11.978 441 HB2 LYS 462 2HB LYS 462 10.894 -3.753 -13.540 442 HB3 LYS 462 1HB LYS 462 10.215 -2.665 -14.741 443 HG2 LYS 462 2HG LYS 462 12.438 -1.953 -14.187 444 HG3 LYS 462 1HG LYS 462 11.280 -0.766 -13.581 445 HD2 LYS 462 2HD LYS 462 12.935 -1.118 -11.888 446 HD3 LYS 462 1HD LYS 462 11.436 -1.871 -11.345 447 HE2 LYS 462 2HE LYS 462 12.686 -3.903 -12.710 448 HE3 LYS 462 1HE LYS 462 14.029 -3.065 -11.934 449 HZ1 LYS 462 3HZ LYS 462 12.922 -4.902 -10.627 450 HZ2 LYS 462 1HZ LYS 462 11.604 -3.858 -10.438 451 HZ3 LYS 462 2HZ LYS 462 13.119 -3.427 -9.824 452 H HIS 463 H HIS 463 9.366 -0.196 -13.807 453 HA HIS 463 HA HIS 463 6.561 -0.272 -14.685 454 HB2 HIS 463 2HB HIS 463 8.166 2.251 -14.696 455 HB3 HIS 463 1HB HIS 463 6.442 2.025 -14.431 456 HD2 HIS 463 2HD HIS 463 9.636 0.963 -12.319 457 HE1 HIS 463 1HE HIS 463 6.654 2.526 -9.742 458 HE2 HIS 463 2HE HIS 463 8.940 1.486 -9.885 459 H ASN 464 H ASN 464 6.009 0.512 -16.778 460 HA ASN 464 HA ASN 464 7.995 -0.160 -18.764 461 HB2 ASN 464 2HB ASN 464 6.209 0.047 -20.378 462 HB3 ASN 464 1HB ASN 464 5.614 -0.856 -18.989 463 HD21 ASN 464 1HD2 ASN 464 3.718 0.070 -20.493 464 HD22 ASN 464 2HD2 ASN 464 2.964 1.477 -19.833 465 H HIS 465 H HIS 465 7.288 2.598 -17.048 466 HA HIS 465 HA HIS 465 8.323 4.326 -19.192 467 HB2 HIS 465 2HB HIS 465 7.030 6.155 -18.300 468 HB3 HIS 465 1HB HIS 465 5.941 4.795 -18.553 469 HD1 HIS 465 1HD HIS 465 7.430 6.925 -15.886 470 HD2 HIS 465 2HD HIS 465 4.905 3.644 -16.189 471 HE1 HIS 465 1HE HIS 465 6.406 6.651 -13.606 472 H ASP 466 H ASP 466 9.978 5.725 -18.651 473 HA ASP 466 HA ASP 466 11.789 5.029 -16.699 474 HB2 ASP 466 2HB ASP 466 12.303 6.506 -18.612 475 HB3 ASP 466 1HB ASP 466 11.380 7.796 -17.848 476 H LEU 467 H LEU 467 9.687 7.886 -16.557 477 HA LEU 467 HA LEU 467 9.035 7.440 -13.797 478 HB2 LEU 467 2HB LEU 467 11.000 9.566 -14.586 479 HB3 LEU 467 1HB LEU 467 9.953 9.796 -13.201 480 HG LEU 467 HG LEU 467 12.051 7.661 -13.566 481 HD11 LEU 467 1HD1 LEU 467 13.352 9.180 -12.607 482 HD12 LEU 467 2HD1 LEU 467 12.378 8.996 -11.149 483 HD13 LEU 467 3HD1 LEU 467 11.991 10.261 -12.316 484 HD21 LEU 467 3HD2 LEU 467 11.389 7.035 -11.202 485 HD22 LEU 467 1HD2 LEU 467 10.277 6.548 -12.480 486 HD23 LEU 467 2HD2 LEU 467 9.909 7.950 -11.476 487 HA PRO 468 HA PRO 468 5.553 9.875 -14.968 488 HB2 PRO 468 2HB PRO 468 4.813 11.041 -12.643 489 HB3 PRO 468 1HB PRO 468 4.616 9.313 -12.948 490 HG2 PRO 468 2HG PRO 468 6.749 10.733 -11.403 491 HG3 PRO 468 1HG PRO 468 5.890 9.234 -11.007 492 HD2 PRO 468 2HD PRO 468 8.391 9.276 -12.076 493 HD3 PRO 468 1HD PRO 468 7.240 7.957 -12.358 494 H ALA 469 H ALA 469 6.903 11.295 -16.306 495 HA ALA 469 HA ALA 469 7.395 13.934 -15.110 496 HB1 ALA 469 1HB ALA 469 9.298 12.772 -16.229 497 HB2 ALA 469 2HB ALA 469 8.924 14.360 -16.899 498 HB3 ALA 469 3HB ALA 469 8.415 12.903 -17.751 499 H5' DC 3 H5' DC 3 -5.212 15.307 -10.098 500 H5'' DC 3 H5" DC 3 -5.420 13.574 -10.418 501 H4' DC 3 H4' DC 3 -3.793 14.452 -8.557 502 H3' DC 3 H3' DC 3 -4.668 11.965 -9.074 503 H2' DC 3 H2' DC 3 -6.689 11.995 -7.795 504 H2'' DC 3 H2" DC 3 -5.568 11.387 -6.586 505 H1' DC 3 H1' DC 3 -5.292 13.519 -5.557 506 H41 DC 3 1H4 DC 3 -11.164 15.073 -3.792 507 H42 DC 3 2H4 DC 3 -11.833 14.567 -5.325 508 H5 DC 3 5H DC 3 -10.465 13.735 -7.146 509 H6 DC 3 6H DC 3 -8.188 13.231 -7.859 510 H5' DC 4 H5' DC 4 -2.108 11.693 -4.861 511 H5'' DC 4 H5" DC 4 -1.671 9.982 -4.665 512 H4' DC 4 H4' DC 4 -2.809 11.115 -2.708 513 H3' DC 4 H3' DC 4 -3.571 8.471 -3.827 514 H2' DC 4 H2' DC 4 -5.690 8.475 -2.851 515 H2'' DC 4 H2" DC 4 -5.074 9.205 -1.377 516 H1' DC 4 H1' DC 4 -5.637 11.325 -2.016 517 H41 DC 4 1H4 DC 4 -11.340 10.992 -4.737 518 H42 DC 4 2H4 DC 4 -10.657 10.382 -6.227 519 H5 DC 4 5H DC 4 -8.300 9.891 -6.490 520 H6 DC 4 6H DC 4 -6.127 9.894 -5.383 521 H5' DT 5 H5' DT 5 -3.793 10.202 0.119 522 H5'' DT 5 H5" DT 5 -2.947 9.204 1.320 523 H4' DT 5 H4' DT 5 -4.764 10.486 2.315 524 H3' DT 5 H3' DT 5 -4.259 7.925 2.965 525 H2' DT 5 H2' DT 5 -5.814 6.858 1.486 526 H2'' DT 5 H2" DT 5 -6.815 7.039 2.921 527 H1' DT 5 H1' DT 5 -7.875 9.022 2.103 528 H3 DT 5 3H DT 5 -10.699 7.850 -1.127 529 H71 DT 5 1H7 DT 5 -6.934 6.827 -3.888 530 H72 DT 5 2H7 DT 5 -5.763 6.278 -2.666 531 H73 DT 5 3H7 DT 5 -7.168 5.265 -3.067 532 H6 DT 5 6H DT 5 -5.982 7.352 -0.622 533 H5' DT 6 H5' DT 6 -7.371 8.324 5.839 534 H5'' DT 6 H5" DT 6 -6.846 8.335 7.535 535 H4' DT 6 H4' DT 6 -7.678 6.320 7.828 536 H3' DT 6 H3' DT 6 -5.721 5.514 5.706 537 H2' DT 6 H2' DT 6 -6.895 3.476 5.346 538 H2'' DT 6 H2" DT 6 -7.668 3.530 6.922 539 H1' DT 6 H1' DT 6 -9.505 4.473 5.902 540 H3 DT 6 3H DT 6 -10.827 4.983 1.638 541 H71 DT 6 1H7 DT 6 -6.442 5.021 0.142 542 H72 DT 6 2H7 DT 6 -5.467 4.882 1.624 543 H73 DT 6 3H7 DT 6 -6.142 3.422 0.863 544 H6 DT 6 6H DT 6 -6.569 4.614 3.749 545 H5' DT 7 H5' DT 7 -6.736 2.948 9.852 546 H5'' DT 7 H5" DT 7 -6.133 1.292 9.630 547 H4' DT 7 H4' DT 7 -8.757 2.047 9.860 548 H3' DT 7 H3' DT 7 -7.548 -0.351 9.845 549 H2' DT 7 H2' DT 7 -7.251 -0.608 7.482 550 H2'' DT 7 H2" DT 7 -8.817 -1.379 7.689 551 H1' DT 7 H1' DT 7 -10.025 0.563 6.999 552 H3 DT 7 3H DT 7 -9.497 1.010 2.604 553 H71 DT 7 1H7 DT 7 -5.003 2.045 3.061 554 H72 DT 7 2H7 DT 7 -4.684 0.410 3.688 555 H73 DT 7 3H7 DT 7 -4.665 1.806 4.791 556 H6 DT 7 6H DT 7 -6.418 1.023 6.247 557 H5' DG 8 H5' DG 8 -12.407 -0.732 9.472 558 H5'' DG 8 H5" DG 8 -12.698 -1.833 10.835 559 H4' DG 8 H4' DG 8 -14.340 -2.168 9.093 560 H3' DG 8 H3' DG 8 -13.198 -4.232 10.341 561 H2' DG 8 H2' DG 8 -11.370 -4.637 8.853 562 H2'' DG 8 H2" DG 8 -12.575 -5.711 8.159 563 H1' DG 8 H1' DG 8 -13.139 -4.200 6.420 564 H8 DG 8 8H DG 8 -9.763 -3.592 8.138 565 H1 DG 8 1H DG 8 -9.739 -3.029 1.751 566 H21 DG 8 1H2 DG 8 -11.773 -3.185 0.957 567 H22 DG 8 2H2 DG 8 -13.164 -3.430 1.989 568 H5' DA 9 H5' DA 9 -15.948 -5.165 6.516 569 H5'' DA 9 H5" DA 9 -17.111 -6.259 7.293 570 H4' DA 9 H4' DA 9 -17.106 -6.738 4.973 571 H3' DA 9 H3' DA 9 -16.803 -8.764 6.694 572 H2' DA 9 H2' DA 9 -14.409 -8.866 6.740 573 H2'' DA 9 H2" DA 9 -14.754 -10.021 5.463 574 H1' DA 9 H1' DA 9 -14.304 -8.452 3.723 575 H8 DA 9 8H DA 9 -12.768 -7.645 7.158 576 H61 DA 9 2H6 DA 9 -8.277 -6.586 5.618 577 H62 DA 9 1H6 DA 9 -7.558 -6.449 4.030 578 H2 DA 9 2H DA 9 -10.803 -7.305 1.056 579 H5' DC 10 H5' DC 10 -17.189 -9.844 1.879 580 H5'' DC 10 H5" DC 10 -18.149 -11.331 2.025 581 H4' DC 10 H4' DC 10 -16.805 -11.231 -0.030 582 H3' DC 10 H3' DC 10 -17.219 -13.477 1.382 583 H2' DC 10 H2' DC 10 -15.252 -13.504 2.727 584 H2'' DC 10 H2" DC 10 -14.644 -14.363 1.321 585 H1' DC 10 H1' DC 10 -13.529 -12.475 0.449 586 H41 DC 10 1H4 DC 10 -9.732 -10.575 5.155 587 H42 DC 10 2H4 DC 10 -11.021 -10.708 6.326 588 H5 DC 10 5H DC 10 -13.276 -11.355 5.744 589 H6 DC 10 6H DC 10 -14.757 -12.005 3.917 590 H5' DC 11 H5' DC 11 -14.813 -14.821 -2.755 591 H5'' DC 11 H5" DC 11 -15.609 -16.366 -3.124 592 H4' DC 11 H4' DC 11 -13.197 -16.478 -3.440 593 H3' DC 11 H3' DC 11 -14.649 -18.435 -2.178 594 H2' DC 11 H2' DC 11 -14.003 -17.933 0.067 595 H2'' DC 11 H2" DC 11 -12.694 -19.017 -0.386 596 H1' DC 11 H1' DC 11 -11.229 -17.194 -0.994 597 H41 DC 11 1H4 DC 11 -10.348 -14.330 4.589 598 H42 DC 11 2H4 DC 11 -12.033 -14.520 5.014 599 H5 DC 11 5H DC 11 -13.672 -15.498 3.531 600 H6 DC 11 6H DC 11 -14.030 -16.495 1.334 601 H5' DA 12 H5' DA 12 -10.084 -19.291 -3.206 602 H5'' DA 12 H5" DA 12 -10.262 -20.749 -4.206 603 H4' DA 12 H4' DA 12 -8.090 -20.811 -3.304 604 H3' DA 12 H3' DA 12 -9.639 -22.951 -2.934 605 H2' DA 12 H2' DA 12 -10.553 -22.445 -0.797 606 H2'' DA 12 H2" DA 12 -9.129 -23.347 -0.300 607 H1' DA 12 H1' DA 12 -7.891 -21.401 0.226 608 H8 DA 12 8H DA 12 -11.702 -20.994 0.049 609 H61 DA 12 2H6 DA 12 -12.252 -18.269 4.038 610 H62 DA 12 1H6 DA 12 -11.117 -17.525 5.143 611 H2 DA 12 2H DA 12 -7.007 -18.537 3.672 612 H5' DT 21 H5' DT 21 -5.473 -15.173 10.925 613 H5'' DT 21 H5" DT 21 -4.588 -16.525 11.663 614 H4' DT 21 H4' DT 21 -2.823 -16.333 10.073 615 H3' DT 21 H3' DT 21 -3.210 -13.700 9.773 616 H2' DT 21 H2' DT 21 -5.335 -13.765 8.662 617 H2'' DT 21 H2" DT 21 -4.246 -13.743 7.281 618 H1' DT 21 H1' DT 21 -4.382 -16.107 6.957 619 H3 DT 21 3H DT 21 -8.400 -17.359 5.495 620 H71 DT 21 1H7 DT 21 -10.656 -15.179 8.805 621 H72 DT 21 2H7 DT 21 -9.609 -13.756 9.007 622 H73 DT 21 3H7 DT 21 -9.457 -15.138 10.118 623 H6 DT 21 6H DT 21 -6.979 -14.753 9.228 624 H5' DG 22 H5' DG 22 -1.046 -15.427 5.335 625 H5'' DG 22 H5" DG 22 0.235 -14.228 5.607 626 H4' DG 22 H4' DG 22 -0.034 -14.187 3.320 627 H3' DG 22 H3' DG 22 -1.338 -11.905 4.646 628 H2' DG 22 H2' DG 22 -2.719 -11.295 2.819 629 H2'' DG 22 H2" DG 22 -1.726 -12.149 1.650 630 H1' DG 22 H1' DG 22 -3.395 -13.768 1.846 631 H8 DG 22 8H DG 22 -3.182 -12.370 5.453 632 H1 DG 22 1H DG 22 -8.934 -14.463 3.537 633 H21 DG 22 1H2 DG 22 -8.817 -15.274 1.538 634 H22 DG 22 2H2 DG 22 -7.347 -15.340 0.605 635 H5' DG 23 H5' DG 23 -0.081 -11.419 0.268 636 H5'' DG 23 H5" DG 23 0.107 -9.691 -0.101 637 H4' DG 23 H4' DG 23 -1.628 -11.161 -1.376 638 H3' DG 23 H3' DG 23 -1.402 -8.451 -1.159 639 H2' DG 23 H2' DG 23 -2.981 -8.059 0.578 640 H2'' DG 23 H2" DG 23 -4.087 -8.076 -0.791 641 H1' DG 23 H1' DG 23 -4.742 -10.316 -0.452 642 H8 DG 23 8H DG 23 -2.871 -9.301 2.782 643 H1 DG 23 1H DG 23 -9.093 -10.682 3.457 644 H21 DG 23 1H2 DG 23 -9.965 -11.201 1.566 645 H22 DG 23 2H2 DG 23 -9.107 -11.237 0.058 646 H5' DT 24 H5' DT 24 -4.443 -8.866 -5.013 647 H5'' DT 24 H5" DT 24 -3.906 -7.504 -6.018 648 H4' DT 24 H4' DT 24 -6.253 -7.295 -5.589 649 H3' DT 24 H3' DT 24 -4.513 -5.254 -4.249 650 H2' DT 24 H2' DT 24 -6.375 -4.350 -3.103 651 H2'' DT 24 H2" DT 24 -7.518 -4.916 -4.313 652 H1' DT 24 H1' DT 24 -7.948 -6.773 -3.046 653 H3 DT 24 3H DT 24 -7.975 -6.652 1.393 654 H71 DT 24 1H7 DT 24 -3.510 -4.474 0.737 655 H72 DT 24 2H7 DT 24 -2.877 -5.927 -0.068 656 H73 DT 24 3H7 DT 24 -3.405 -6.009 1.629 657 H6 DT 24 6H DT 24 -4.556 -5.867 -1.836 658 H5' DC 25 H5' DC 25 -8.340 -5.092 -6.206 659 H5'' DC 25 H5" DC 25 -8.319 -3.892 -7.516 660 H4' DC 25 H4' DC 25 -10.559 -4.168 -6.698 661 H3' DC 25 H3' DC 25 -9.515 -1.715 -7.083 662 H2' DC 25 H2' DC 25 -8.844 -1.208 -4.854 663 H2'' DC 25 H2" DC 25 -10.493 -0.599 -4.805 664 H1' DC 25 H1' DC 25 -11.336 -2.531 -3.720 665 H41 DC 25 1H4 DC 25 -7.916 -2.831 1.591 666 H42 DC 25 2H4 DC 25 -6.418 -2.619 0.711 667 H5 DC 25 5H DC 25 -6.321 -2.347 -1.680 668 H6 DC 25 6H DC 25 -7.629 -2.331 -3.738 669 H5' DA 26 H5' DA 26 -13.416 -1.893 -5.112 670 H5'' DA 26 H5" DA 26 -14.629 -1.579 -6.370 671 H4' DA 26 H4' DA 26 -15.816 -1.149 -4.458 672 H3' DA 26 H3' DA 26 -15.529 1.027 -5.971 673 H2' DA 26 H2' DA 26 -13.572 1.970 -4.976 674 H2'' DA 26 H2" DA 26 -14.810 2.764 -4.013 675 H1' DA 26 H1' DA 26 -14.531 1.309 -2.174 676 H8 DA 26 8H DA 26 -11.631 1.438 -4.679 677 H61 DA 26 2H6 DA 26 -7.989 1.550 -1.462 678 H62 DA 26 1H6 DA 26 -7.923 1.398 0.280 679 H2 DA 26 2H DA 26 -12.137 0.792 1.687 680 H5' DA 27 H5' DA 27 -18.153 1.741 -1.725 681 H5'' DA 27 H5" DA 27 -19.527 2.316 -2.692 682 H4' DA 27 H4' DA 27 -19.676 3.235 -0.488 683 H3' DA 27 H3' DA 27 -20.039 4.818 -2.585 684 H2' DA 27 H2' DA 27 -17.801 5.567 -2.949 685 H2'' DA 27 H2" DA 27 -18.370 6.836 -1.874 686 H1' DA 27 H1' DA 27 -17.276 5.939 0.012 687 H8 DA 27 8H DA 27 -15.994 5.064 -3.437 688 H61 DA 27 2H6 DA 27 -11.264 4.726 -2.383 689 H62 DA 27 1H6 DA 27 -10.366 4.723 -0.882 690 H2 DA 27 2H DA 27 -13.372 5.128 2.423 691 H5' DA 28 H5' DA 28 -19.667 7.156 1.931 692 H5'' DA 28 H5" DA 28 -20.927 8.365 1.605 693 H4' DA 28 H4' DA 28 -19.178 9.228 3.068 694 H3' DA 28 H3' DA 28 -20.274 10.682 1.087 695 H2' DA 28 H2' DA 28 -18.643 10.288 -0.620 696 H2'' DA 28 H2" DA 28 -17.968 11.730 0.124 697 H1' DA 28 H1' DA 28 -16.404 10.501 1.435 698 H8 DA 28 8H DA 28 -17.775 8.725 -1.690 699 H61 DA 28 2H6 DA 28 -13.527 7.130 -3.435 700 H62 DA 28 1H6 DA 28 -11.888 7.177 -2.826 701 H2 DA 28 2H DA 28 -12.043 9.238 1.153 702 H5' DG 29 H5' DG 29 -17.895 13.671 4.443 703 H5'' DG 29 H5" DG 29 -17.606 15.275 3.736 704 H4' DG 29 H4' DG 29 -15.742 13.706 4.960 705 H3' DG 29 H3' DG 29 -15.700 16.234 3.953 706 H2' DG 29 H2' DG 29 -15.127 15.707 1.694 707 H2'' DG 29 H2" DG 29 -13.518 15.854 2.389 708 H1' DG 29 H1' DG 29 -13.296 13.485 2.717 709 H8 DG 29 8H DG 29 -16.355 13.557 0.368 710 H1 DG 29 1H DG 29 -10.823 11.713 -2.303 711 H21 DG 29 1H2 DG 29 -9.179 11.906 -0.866 712 H22 DG 29 2H2 DG 29 -9.426 12.488 0.766 713 H5' DG 30 H5' DG 30 -10.952 15.199 5.810 714 H5'' DG 30 H5" DG 30 -11.212 16.574 6.904 715 H4' DG 30 H4' DG 30 -8.896 16.456 6.266 716 H3' DG 30 H3' DG 30 -10.181 18.790 6.258 717 H2' DG 30 H2' DG 30 -10.947 18.815 3.992 718 H2'' DG 30 H2" DG 30 -9.418 19.666 3.813 719 H1' DG 30 H1' DG 30 -8.280 17.757 2.985 720 H8 DG 30 8H DG 30 -12.109 17.662 2.778 721 H1 DG 30 1H DG 30 -9.018 15.389 -2.362 722 H21 DG 30 1H2 DG 30 -6.860 15.303 -1.980 723 H22 DG 30 2H2 DG 30 -6.159 15.803 -0.458 Start of MODEL 20 1 H LEU 407 H LEU 407 6.338 7.728 3.407 2 HA LEU 407 HA LEU 407 9.109 8.156 2.543 3 HB2 LEU 407 2HB LEU 407 8.353 6.791 0.540 4 HB3 LEU 407 1HB LEU 407 8.700 5.910 2.012 5 HG LEU 407 HG LEU 407 6.684 5.132 0.737 6 HD11 LEU 407 2HD1 LEU 407 5.595 5.961 3.335 7 HD12 LEU 407 3HD1 LEU 407 7.154 5.136 3.388 8 HD13 LEU 407 1HD1 LEU 407 5.768 4.356 2.628 9 HD21 LEU 407 1HD2 LEU 407 5.965 7.537 0.227 10 HD22 LEU 407 2HD2 LEU 407 5.270 7.531 1.848 11 HD23 LEU 407 3HD2 LEU 407 4.712 6.369 0.646 12 H LEU 408 H LEU 408 8.968 8.893 0.162 13 HA LEU 408 HA LEU 408 6.620 10.534 -0.371 14 HB2 LEU 408 2HB LEU 408 8.990 11.602 0.745 15 HB3 LEU 408 1HB LEU 408 8.941 12.123 -0.928 16 HG LEU 408 HG LEU 408 6.414 12.450 0.556 17 HD11 LEU 408 1HD1 LEU 408 8.866 14.064 1.241 18 HD12 LEU 408 2HD1 LEU 408 7.920 13.052 2.332 19 HD13 LEU 408 3HD1 LEU 408 7.213 14.519 1.656 20 HD21 LEU 408 3HD2 LEU 408 7.996 14.399 -1.106 21 HD22 LEU 408 1HD2 LEU 408 6.280 14.463 -0.701 22 HD23 LEU 408 2HD2 LEU 408 6.883 13.212 -1.787 23 H ASP 409 H ASP 409 6.240 10.902 -2.502 24 HA ASP 409 HA ASP 409 6.849 9.214 -4.461 25 HB2 ASP 409 2HB ASP 409 6.669 11.246 -6.077 26 HB3 ASP 409 1HB ASP 409 5.298 10.845 -5.056 27 H ASP 410 H ASP 410 8.689 8.386 -5.174 28 HA ASP 410 HA ASP 410 11.115 10.013 -5.184 29 HB2 ASP 410 2HB ASP 410 12.220 7.795 -5.730 30 HB3 ASP 410 1HB ASP 410 11.439 7.892 -4.155 31 H GLY 411 H GLY 411 8.881 10.241 -7.192 32 HA2 GLY 411 2HA GLY 411 9.580 11.190 -9.389 33 HA3 GLY 411 1HA GLY 411 10.501 9.711 -9.611 34 H TYR 412 H TYR 412 8.154 8.271 -8.265 35 HA TYR 412 HA TYR 412 6.407 8.224 -10.640 36 HB2 TYR 412 2HB TYR 412 7.244 5.927 -8.856 37 HB3 TYR 412 1HB TYR 412 6.018 5.811 -10.115 38 HD1 TYR 412 1HD TYR 412 7.509 7.603 -12.137 39 HD2 TYR 412 2HD TYR 412 8.743 4.302 -9.752 40 HE1 TYR 412 1HE TYR 412 9.252 7.073 -13.782 41 HE2 TYR 412 2HE TYR 412 10.493 3.764 -11.393 42 HH TYR 412 HH TYR 412 11.405 5.894 -13.873 43 H ARG 413 H ARG 413 4.176 7.821 -10.291 44 HA ARG 413 HA ARG 413 3.211 8.922 -7.803 45 HB2 ARG 413 2HB ARG 413 2.315 9.144 -10.330 46 HB3 ARG 413 1HB ARG 413 1.301 7.814 -9.787 47 HG2 ARG 413 2HG ARG 413 -0.071 9.412 -9.058 48 HG3 ARG 413 1HG ARG 413 1.066 9.577 -7.719 49 HD2 ARG 413 2HD ARG 413 0.809 11.759 -8.490 50 HD3 ARG 413 1HD ARG 413 2.309 11.225 -9.249 51 HE ARG 413 HE ARG 413 1.309 11.516 -11.273 52 HH11 ARG 413 1HH1 ARG 413 -1.199 11.140 -8.871 53 HH12 ARG 413 2HH1 ARG 413 -2.486 11.439 -9.991 54 HH21 ARG 413 1HH2 ARG 413 -0.387 11.914 -12.740 55 HH22 ARG 413 2HH2 ARG 413 -2.026 11.877 -12.182 56 H TRP 414 H TRP 414 2.630 7.800 -6.089 57 HA TRP 414 HA TRP 414 1.868 4.975 -6.436 58 HB2 TRP 414 2HB TRP 414 3.355 6.139 -4.072 59 HB3 TRP 414 1HB TRP 414 2.948 4.445 -4.330 60 HD1 TRP 414 HD TRP 414 5.330 7.171 -5.597 61 HE1 TRP 414 1HE TRP 414 7.273 6.040 -6.854 62 HE3 TRP 414 3HE TRP 414 3.602 2.363 -5.592 63 HZ2 TRP 414 2HZ TRP 414 7.973 3.450 -7.735 64 HZ3 TRP 414 3HZ TRP 414 4.964 0.617 -6.670 65 HH2 TRP 414 HH TRP 414 7.104 1.149 -7.720 66 H ARG 415 H ARG 415 0.119 4.240 -5.310 67 HA ARG 415 HA ARG 415 -1.321 6.242 -3.698 68 HB2 ARG 415 2HB ARG 415 -2.345 5.812 -5.931 69 HB3 ARG 415 1HB ARG 415 -2.567 4.132 -5.465 70 HG2 ARG 415 2HG ARG 415 -3.845 5.155 -3.437 71 HG3 ARG 415 1HG ARG 415 -3.962 6.574 -4.480 72 HD2 ARG 415 2HD ARG 415 -4.652 3.960 -5.683 73 HD3 ARG 415 1HD ARG 415 -5.774 4.611 -4.491 74 HE ARG 415 HE ARG 415 -5.373 6.711 -6.133 75 HH11 ARG 415 1HH1 ARG 415 -6.232 3.384 -6.734 76 HH12 ARG 415 2HH1 ARG 415 -7.141 3.747 -8.162 77 HH21 ARG 415 1HH2 ARG 415 -6.565 7.191 -8.008 78 HH22 ARG 415 2HH2 ARG 415 -7.329 5.909 -8.886 79 H LYS 416 H LYS 416 -1.344 5.665 -1.647 80 HA LYS 416 HA LYS 416 -0.675 3.206 -0.574 81 HB2 LYS 416 2HB LYS 416 -0.975 5.519 0.552 82 HB3 LYS 416 1HB LYS 416 -2.652 5.036 0.764 83 HG2 LYS 416 2HG LYS 416 -0.613 3.100 1.660 84 HG3 LYS 416 1HG LYS 416 -0.743 4.598 2.583 85 HD2 LYS 416 2HD LYS 416 -3.283 4.111 2.565 86 HD3 LYS 416 1HD LYS 416 -2.802 2.469 2.140 87 HE2 LYS 416 2HE LYS 416 -2.092 2.020 4.215 88 HE3 LYS 416 1HE LYS 416 -1.290 3.581 4.374 89 HZ1 LYS 416 3HZ LYS 416 -3.035 4.452 5.438 90 HZ2 LYS 416 1HZ LYS 416 -3.499 2.848 5.717 91 HZ3 LYS 416 2HZ LYS 416 -4.174 3.712 4.428 92 H TYR 417 H TYR 417 -1.864 1.457 0.236 93 HA TYR 417 HA TYR 417 -4.705 1.354 0.020 94 HB2 TYR 417 2HB TYR 417 -5.061 0.047 -1.834 95 HB3 TYR 417 1HB TYR 417 -3.692 1.003 -2.379 96 HD1 TYR 417 2HD TYR 417 -4.558 -2.291 -0.865 97 HD2 TYR 417 1HD TYR 417 -1.775 -0.057 -3.181 98 HE1 TYR 417 2HE TYR 417 -3.335 -4.359 -1.384 99 HE2 TYR 417 1HE TYR 417 -0.546 -2.123 -3.707 100 HH TYR 417 HH TYR 417 -0.931 -4.958 -2.048 101 H GLY 418 H GLY 418 -5.524 -0.023 1.387 102 HA2 GLY 418 2HA GLY 418 -5.747 -1.873 2.773 103 HA3 GLY 418 1HA GLY 418 -4.258 -2.512 2.093 104 H GLN 419 H GLN 419 -4.440 -2.979 4.639 105 HA GLN 419 HA GLN 419 -2.244 -1.726 5.803 106 HB2 GLN 419 2HB GLN 419 -3.983 0.151 5.948 107 HB3 GLN 419 1HB GLN 419 -4.797 -0.849 7.142 108 HG2 GLN 419 2HG GLN 419 -3.460 -0.078 8.719 109 HG3 GLN 419 1HG GLN 419 -2.057 -0.695 7.851 110 HE21 GLN 419 1HE2 GLN 419 -3.604 2.033 8.992 111 HE22 GLN 419 2HE2 GLN 419 -2.712 3.232 8.123 112 H LYS 420 H LYS 420 -1.543 -3.584 6.624 113 HA LYS 420 HA LYS 420 -3.336 -5.071 8.435 114 HB2 LYS 420 2HB LYS 420 -2.107 -5.990 6.075 115 HB3 LYS 420 1HB LYS 420 -1.197 -6.712 7.394 116 HG2 LYS 420 2HG LYS 420 -2.902 -8.045 8.021 117 HG3 LYS 420 1HG LYS 420 -4.129 -6.836 7.644 118 HD2 LYS 420 2HD LYS 420 -4.595 -8.189 5.907 119 HD3 LYS 420 1HD LYS 420 -3.196 -7.417 5.162 120 HE2 LYS 420 2HE LYS 420 -2.354 -9.472 4.944 121 HE3 LYS 420 1HE LYS 420 -2.082 -9.428 6.685 122 HZ1 LYS 420 3HZ LYS 420 -4.152 -10.817 5.161 123 HZ2 LYS 420 1HZ LYS 420 -4.580 -10.219 6.686 124 HZ3 LYS 420 2HZ LYS 420 -3.303 -11.317 6.535 125 H VAL 421 H VAL 421 -2.252 -6.224 10.199 126 HA VAL 421 HA VAL 421 0.263 -4.902 10.978 127 HB VAL 421 HB VAL 421 -1.609 -4.260 12.429 128 HG11 VAL 421 1HG1 VAL 421 -3.220 -5.740 12.819 129 HG12 VAL 421 2HG1 VAL 421 -2.124 -6.542 13.944 130 HG13 VAL 421 3HG1 VAL 421 -2.210 -7.076 12.266 131 HG21 VAL 421 3HG2 VAL 421 -0.507 -4.552 14.469 132 HG22 VAL 421 1HG2 VAL 421 0.778 -4.675 13.267 133 HG23 VAL 421 2HG2 VAL 421 0.121 -6.134 14.010 134 H VAL 422 H VAL 422 1.919 -6.169 11.787 135 HA VAL 422 HA VAL 422 1.444 -9.076 11.779 136 HB VAL 422 HB VAL 422 3.941 -9.168 11.016 137 HG11 VAL 422 1HG1 VAL 422 3.137 -9.059 8.609 138 HG12 VAL 422 2HG1 VAL 422 1.565 -8.601 9.266 139 HG13 VAL 422 3HG1 VAL 422 2.275 -10.160 9.684 140 HG21 VAL 422 3HG2 VAL 422 3.093 -6.479 9.942 141 HG22 VAL 422 1HG2 VAL 422 4.555 -7.356 9.492 142 HG23 VAL 422 2HG2 VAL 422 4.353 -6.767 11.142 143 H LYS 423 H LYS 423 2.570 -10.329 13.208 144 HA LYS 423 HA LYS 423 3.497 -9.002 15.599 145 HB2 LYS 423 2HB LYS 423 2.766 -11.774 14.816 146 HB3 LYS 423 1HB LYS 423 3.917 -11.600 16.134 147 HG2 LYS 423 2HG LYS 423 2.048 -11.548 17.381 148 HG3 LYS 423 1HG LYS 423 2.052 -9.843 16.930 149 HD2 LYS 423 2HD LYS 423 0.461 -10.208 15.203 150 HD3 LYS 423 1HD LYS 423 0.626 -11.960 15.332 151 HE2 LYS 423 2HE LYS 423 -0.712 -12.089 17.160 152 HE3 LYS 423 1HE LYS 423 -0.195 -10.521 17.780 153 HZ1 LYS 423 3HZ LYS 423 -1.835 -9.460 16.701 154 HZ2 LYS 423 1HZ LYS 423 -2.583 -10.978 16.683 155 HZ3 LYS 423 2HZ LYS 423 -1.733 -10.439 15.324 156 H GLY 424 H GLY 424 5.515 -10.315 16.650 157 HA2 GLY 424 2HA GLY 424 7.797 -10.658 16.572 158 HA3 GLY 424 1HA GLY 424 7.598 -11.093 14.880 159 H ASN 425 H ASN 425 6.199 -8.265 14.904 160 HA ASN 425 HA ASN 425 8.353 -6.407 15.097 161 HB2 ASN 425 2HB ASN 425 8.796 -7.498 12.883 162 HB3 ASN 425 1HB ASN 425 7.190 -7.005 12.358 163 HD21 ASN 425 1HD2 ASN 425 6.799 -4.868 11.859 164 HD22 ASN 425 2HD2 ASN 425 8.068 -3.711 11.660 165 HA PRO 426 HA PRO 426 3.650 -5.606 16.092 166 HB2 PRO 426 2HB PRO 426 5.463 -3.842 17.708 167 HB3 PRO 426 1HB PRO 426 3.897 -4.528 18.144 168 HG2 PRO 426 2HG PRO 426 6.270 -5.646 18.880 169 HG3 PRO 426 1HG PRO 426 4.786 -6.582 18.637 170 HD2 PRO 426 2HD PRO 426 7.224 -6.644 17.086 171 HD3 PRO 426 1HD PRO 426 5.772 -7.647 16.900 172 H TYR 427 H TYR 427 3.938 -4.793 13.729 173 HA TYR 427 HA TYR 427 3.544 -1.914 13.837 174 HB2 TYR 427 2HB TYR 427 5.841 -3.179 12.366 175 HB3 TYR 427 1HB TYR 427 5.164 -1.641 11.846 176 HD1 TYR 427 2HD TYR 427 6.760 -3.350 14.743 177 HD2 TYR 427 1HD TYR 427 5.800 0.365 12.901 178 HE1 TYR 427 2HE TYR 427 8.183 -2.180 16.368 179 HE2 TYR 427 1HE TYR 427 7.219 1.541 14.527 180 HH TYR 427 HH TYR 427 9.370 -0.113 16.628 181 HA PRO 428 HA PRO 428 0.735 -2.993 10.584 182 HB2 PRO 428 2HB PRO 428 -0.133 -0.555 9.927 183 HB3 PRO 428 1HB PRO 428 -0.489 -1.251 11.513 184 HG2 PRO 428 2HG PRO 428 1.570 0.777 10.752 185 HG3 PRO 428 1HG PRO 428 0.532 0.719 12.188 186 HD2 PRO 428 2HD PRO 428 3.174 -0.110 12.105 187 HD3 PRO 428 1HD PRO 428 1.984 -0.630 13.312 188 H ARG 429 H ARG 429 1.124 -3.552 8.539 189 HA ARG 429 HA ARG 429 3.248 -2.246 7.056 190 HB2 ARG 429 2HB ARG 429 1.558 -4.490 5.994 191 HB3 ARG 429 1HB ARG 429 3.231 -4.100 5.625 192 HG2 ARG 429 2HG ARG 429 4.034 -5.171 7.469 193 HG3 ARG 429 1HG ARG 429 2.571 -4.887 8.410 194 HD2 ARG 429 2HD ARG 429 2.657 -7.212 7.937 195 HD3 ARG 429 1HD ARG 429 1.400 -6.518 6.915 196 HE ARG 429 HE ARG 429 3.950 -6.665 5.615 197 HH11 ARG 429 1HH1 ARG 429 1.065 -8.455 6.417 198 HH12 ARG 429 2HH1 ARG 429 1.230 -9.559 5.094 199 HH21 ARG 429 1HH2 ARG 429 4.171 -8.117 3.871 200 HH22 ARG 429 2HH2 ARG 429 2.995 -9.367 3.647 201 H SER 430 H SER 430 2.955 -1.597 4.824 202 HA SER 430 HA SER 430 0.214 -0.776 4.153 203 HB2 SER 430 2HB SER 430 2.477 1.056 3.470 204 HB3 SER 430 1HB SER 430 0.783 1.433 3.778 205 HG SER 430 HG SER 430 1.172 1.049 5.992 206 H TYR 431 H TYR 431 -0.310 -0.899 1.981 207 HA TYR 431 HA TYR 431 1.793 -2.041 0.263 208 HB2 TYR 431 2HB TYR 431 -1.185 -2.318 -0.144 209 HB3 TYR 431 1HB TYR 431 0.098 -3.229 -0.930 210 HD1 TYR 431 2HD TYR 431 -1.667 -2.714 2.280 211 HD2 TYR 431 1HD TYR 431 1.017 -5.173 0.078 212 HE1 TYR 431 2HE TYR 431 -1.838 -4.446 4.017 213 HE2 TYR 431 1HE TYR 431 0.852 -6.913 1.807 214 HH TYR 431 HH TYR 431 -1.380 -7.287 3.835 215 H TYR 432 H TYR 432 2.645 -0.332 -0.801 216 HA TYR 432 HA TYR 432 0.849 1.657 -1.971 217 HB2 TYR 432 2HB TYR 432 3.771 1.555 -1.354 218 HB3 TYR 432 1HB TYR 432 3.218 2.638 -2.624 219 HD1 TYR 432 2HD TYR 432 1.472 4.381 -2.030 220 HD2 TYR 432 1HD TYR 432 3.581 2.142 0.909 221 HE1 TYR 432 2HE TYR 432 0.885 6.066 -0.333 222 HE2 TYR 432 1HE TYR 432 3.005 3.820 2.613 223 HH TYR 432 HH TYR 432 0.680 6.282 2.054 224 H LYS 433 H LYS 433 0.285 1.573 -4.055 225 HA LYS 433 HA LYS 433 1.931 -0.074 -5.861 226 HB2 LYS 433 2HB LYS 433 -0.072 -0.664 -7.081 227 HB3 LYS 433 1HB LYS 433 -0.279 -1.066 -5.382 228 HG2 LYS 433 2HG LYS 433 -1.763 0.711 -5.026 229 HG3 LYS 433 1HG LYS 433 -1.301 1.509 -6.530 230 HD2 LYS 433 2HD LYS 433 -3.083 0.533 -7.452 231 HD3 LYS 433 1HD LYS 433 -2.188 -0.983 -7.349 232 HE2 LYS 433 2HE LYS 433 -3.532 -0.194 -4.865 233 HE3 LYS 433 1HE LYS 433 -4.624 -0.518 -6.210 234 HZ1 LYS 433 3HZ LYS 433 -2.467 -2.421 -5.584 235 HZ2 LYS 433 1HZ LYS 433 -3.952 -2.701 -6.346 236 HZ3 LYS 433 2HZ LYS 433 -3.894 -2.442 -4.676 237 H CYS 434 H CYS 434 2.555 0.744 -7.777 238 HA CYS 434 HA CYS 434 2.094 3.577 -8.235 239 HB2 CYS 434 2HB CYS 434 4.366 3.019 -8.482 240 HB3 CYS 434 1HB CYS 434 4.005 1.535 -9.350 241 H THR 435 H THR 435 0.857 4.391 -9.828 242 HA THR 435 HA THR 435 -0.402 2.477 -11.674 243 HB THR 435 HB THR 435 -2.251 3.290 -10.576 244 HG1 THR 435 1HG THR 435 -3.169 4.232 -12.223 245 HG21 THR 435 3HG2 THR 435 -1.480 4.710 -8.933 246 HG22 THR 435 1HG2 THR 435 -2.348 5.843 -9.971 247 HG23 THR 435 2HG2 THR 435 -0.591 5.720 -10.075 248 H THR 436 H THR 436 -0.679 3.154 -13.885 249 HA THR 436 HA THR 436 0.251 5.649 -14.829 250 HB THR 436 HB THR 436 2.054 3.510 -15.836 251 HG1 THR 436 1HG THR 436 2.606 4.876 -13.401 252 HG21 THR 436 3HG2 THR 436 2.427 5.528 -16.900 253 HG22 THR 436 1HG2 THR 436 3.637 5.570 -15.618 254 HG23 THR 436 2HG2 THR 436 2.133 6.471 -15.438 255 HA PRO 437 HA PRO 437 -2.445 4.350 -18.095 256 HB2 PRO 437 2HB PRO 437 -1.158 5.720 -20.170 257 HB3 PRO 437 1HB PRO 437 -2.436 6.367 -19.138 258 HG2 PRO 437 2HG PRO 437 0.519 6.708 -18.939 259 HG3 PRO 437 1HG PRO 437 -0.773 7.874 -18.598 260 HD2 PRO 437 2HD PRO 437 0.539 6.653 -16.618 261 HD3 PRO 437 1HD PRO 437 -1.205 6.967 -16.502 262 H GLY 438 H GLY 438 -1.578 2.143 -17.915 263 HA2 GLY 438 2HA GLY 438 -1.150 0.458 -19.631 264 HA3 GLY 438 1HA GLY 438 0.130 1.498 -20.235 265 H CYS 439 H CYS 439 0.302 1.671 -16.934 266 HA CYS 439 HA CYS 439 1.982 -0.721 -16.712 267 HB2 CYS 439 2HB CYS 439 3.842 0.512 -16.738 268 HB3 CYS 439 1HB CYS 439 2.918 2.003 -16.769 269 H GLY 440 H GLY 440 2.335 -1.506 -14.636 270 HA2 GLY 440 2HA GLY 440 0.937 -0.303 -12.390 271 HA3 GLY 440 1HA GLY 440 0.311 -1.855 -12.931 272 H VAL 441 H VAL 441 2.592 -0.292 -10.987 273 HA VAL 441 HA VAL 441 3.945 -2.856 -10.451 274 HB VAL 441 HB VAL 441 5.144 -0.097 -10.640 275 HG11 VAL 441 1HG1 VAL 441 6.356 -2.508 -9.291 276 HG12 VAL 441 2HG1 VAL 441 5.929 -0.976 -8.529 277 HG13 VAL 441 3HG1 VAL 441 7.234 -1.039 -9.714 278 HG21 VAL 441 3HG2 VAL 441 5.172 -1.335 -12.687 279 HG22 VAL 441 1HG2 VAL 441 5.815 -2.758 -11.868 280 HG23 VAL 441 2HG2 VAL 441 6.809 -1.310 -12.032 281 H ARG 442 H ARG 442 4.777 -3.033 -8.201 282 HA ARG 442 HA ARG 442 3.415 -1.244 -6.324 283 HB2 ARG 442 2HB ARG 442 3.354 -4.253 -6.086 284 HB3 ARG 442 1HB ARG 442 2.578 -3.096 -5.014 285 HG2 ARG 442 2HG ARG 442 0.761 -3.522 -6.245 286 HG3 ARG 442 1HG ARG 442 1.490 -2.401 -7.397 287 HD2 ARG 442 2HD ARG 442 2.123 -4.063 -8.823 288 HD3 ARG 442 1HD ARG 442 2.308 -5.250 -7.533 289 HE ARG 442 HE ARG 442 -0.064 -4.701 -9.058 290 HH11 ARG 442 1HH1 ARG 442 1.166 -5.948 -6.038 291 HH12 ARG 442 2HH1 ARG 442 -0.226 -6.931 -5.733 292 HH21 ARG 442 1HH2 ARG 442 -1.895 -6.002 -8.658 293 HH22 ARG 442 2HH2 ARG 442 -1.961 -6.962 -7.217 294 H LYS 443 H LYS 443 4.182 -1.493 -4.095 295 HA LYS 443 HA LYS 443 6.778 -2.733 -3.717 296 HB2 LYS 443 2HB LYS 443 7.911 -0.731 -3.030 297 HB3 LYS 443 1HB LYS 443 7.255 -0.456 -4.635 298 HG2 LYS 443 2HG LYS 443 5.296 0.664 -3.483 299 HG3 LYS 443 1HG LYS 443 6.274 0.622 -2.016 300 HD2 LYS 443 2HD LYS 443 8.066 1.670 -3.708 301 HD3 LYS 443 1HD LYS 443 6.584 2.254 -4.465 302 HE2 LYS 443 2HE LYS 443 5.911 3.359 -2.460 303 HE3 LYS 443 1HE LYS 443 7.209 2.600 -1.538 304 HZ1 LYS 443 3HZ LYS 443 7.595 4.531 -3.762 305 HZ2 LYS 443 1HZ LYS 443 8.819 3.836 -2.823 306 HZ3 LYS 443 2HZ LYS 443 7.715 4.903 -2.115 307 H HIS 444 H HIS 444 7.397 -2.768 -1.423 308 HA HIS 444 HA HIS 444 5.013 -2.559 0.294 309 HB2 HIS 444 2HB HIS 444 6.823 -4.706 -0.172 310 HB3 HIS 444 1HB HIS 444 7.026 -4.188 1.497 311 HD1 HIS 444 1HD HIS 444 5.067 -4.594 3.110 312 HD2 HIS 444 2HD HIS 444 4.328 -5.845 -0.783 313 HE1 HIS 444 1HE HIS 444 2.989 -6.006 3.240 314 HE2 HIS 444 2HE HIS 444 2.619 -6.832 0.888 315 H VAL 445 H VAL 445 5.187 -1.729 2.365 316 HA VAL 445 HA VAL 445 7.725 -0.430 3.081 317 HB VAL 445 HB VAL 445 5.044 0.927 3.386 318 HG11 VAL 445 1HG1 VAL 445 6.236 2.833 4.054 319 HG12 VAL 445 2HG1 VAL 445 7.770 2.183 3.474 320 HG13 VAL 445 3HG1 VAL 445 7.009 1.497 4.910 321 HG21 VAL 445 3HG2 VAL 445 6.191 2.446 1.549 322 HG22 VAL 445 1HG2 VAL 445 5.216 1.043 1.110 323 HG23 VAL 445 2HG2 VAL 445 6.975 0.925 1.125 324 H GLU 446 H GLU 446 8.321 -1.046 5.071 325 HA GLU 446 HA GLU 446 6.254 -1.486 7.101 326 HB2 GLU 446 2HB GLU 446 7.918 -3.520 5.870 327 HB3 GLU 446 1HB GLU 446 8.164 -3.458 7.610 328 HG2 GLU 446 2HG GLU 446 6.401 -4.793 7.738 329 HG3 GLU 446 1HG GLU 446 5.441 -3.354 7.395 330 H ARG 447 H ARG 447 7.106 -1.560 9.295 331 HA ARG 447 HA ARG 447 9.428 0.210 9.578 332 HB2 ARG 447 2HB ARG 447 7.039 -0.364 11.304 333 HB3 ARG 447 1HB ARG 447 8.483 0.368 11.990 334 HG2 ARG 447 2HG ARG 447 7.164 2.194 11.479 335 HG3 ARG 447 1HG ARG 447 8.244 2.090 10.087 336 HD2 ARG 447 2HD ARG 447 6.432 0.727 8.958 337 HD3 ARG 447 1HD ARG 447 5.372 1.213 10.280 338 HE ARG 447 HE ARG 447 6.343 3.568 9.375 339 HH11 ARG 447 1HH1 ARG 447 4.801 0.863 7.795 340 HH12 ARG 447 2HH1 ARG 447 4.090 1.836 6.552 341 HH21 ARG 447 1HH2 ARG 447 5.404 4.847 7.737 342 HH22 ARG 447 2HH2 ARG 447 4.432 4.094 6.518 343 H ALA 448 H ALA 448 10.936 -0.186 11.334 344 HA ALA 448 HA ALA 448 11.477 -3.042 11.611 345 HB1 ALA 448 1HB ALA 448 13.683 -2.148 12.566 346 HB2 ALA 448 2HB ALA 448 13.148 -0.581 11.961 347 HB3 ALA 448 3HB ALA 448 13.372 -1.929 10.845 348 H ALA 449 H ALA 449 11.208 -4.139 13.429 349 HA ALA 449 HA ALA 449 9.981 -2.974 15.703 350 HB1 ALA 449 1HB ALA 449 9.421 -5.079 16.092 351 HB2 ALA 449 2HB ALA 449 11.109 -5.514 16.361 352 HB3 ALA 449 3HB ALA 449 10.429 -5.580 14.736 353 H THR 450 H THR 450 13.208 -2.992 14.767 354 HA THR 450 HA THR 450 14.082 -2.578 17.550 355 HB THR 450 HB THR 450 16.424 -3.095 16.480 356 HG1 THR 450 1HG THR 450 14.679 -4.578 14.776 357 HG21 THR 450 3HG2 THR 450 15.660 -4.464 18.234 358 HG22 THR 450 1HG2 THR 450 15.984 -5.580 16.906 359 HG23 THR 450 2HG2 THR 450 14.326 -5.100 17.271 360 H ASP 451 H ASP 451 13.019 -0.752 15.365 361 HA ASP 451 HA ASP 451 14.421 1.547 15.955 362 HB2 ASP 451 2HB ASP 451 16.331 0.583 14.769 363 HB3 ASP 451 1HB ASP 451 15.334 0.314 13.344 364 HA PRO 452 HA PRO 452 10.369 2.190 13.911 365 HB2 PRO 452 2HB PRO 452 9.956 4.613 15.142 366 HB3 PRO 452 1HB PRO 452 9.489 3.056 15.831 367 HG2 PRO 452 2HG PRO 452 11.905 4.728 16.386 368 HG3 PRO 452 1HG PRO 452 10.885 3.820 17.518 369 HD2 PRO 452 2HD PRO 452 13.269 2.888 16.704 370 HD3 PRO 452 1HD PRO 452 11.897 1.801 17.008 371 H LYS 453 H LYS 453 13.291 4.035 13.980 372 HA LYS 453 HA LYS 453 12.396 6.005 12.069 373 HB2 LYS 453 2HB LYS 453 15.122 5.394 13.216 374 HB3 LYS 453 1HB LYS 453 14.799 6.715 12.100 375 HG2 LYS 453 2HG LYS 453 13.273 7.719 13.708 376 HG3 LYS 453 1HG LYS 453 13.562 6.384 14.826 377 HD2 LYS 453 2HD LYS 453 15.899 7.920 13.797 378 HD3 LYS 453 1HD LYS 453 14.884 8.654 15.042 379 HE2 LYS 453 2HE LYS 453 16.516 7.553 16.274 380 HE3 LYS 453 1HE LYS 453 15.170 6.414 16.283 381 HZ1 LYS 453 3HZ LYS 453 17.561 5.610 15.722 382 HZ2 LYS 453 1HZ LYS 453 17.209 6.203 14.178 383 HZ3 LYS 453 2HZ LYS 453 16.242 4.995 14.859 384 H ALA 454 H ALA 454 13.723 2.844 11.943 385 HA ALA 454 HA ALA 454 14.749 3.200 9.236 386 HB1 ALA 454 1HB ALA 454 15.088 0.574 9.705 387 HB2 ALA 454 2HB ALA 454 15.074 1.181 11.361 388 HB3 ALA 454 3HB ALA 454 16.245 1.811 10.200 389 H VAL 455 H VAL 455 13.544 2.819 7.503 390 HA VAL 455 HA VAL 455 11.127 1.158 7.812 391 HB VAL 455 HB VAL 455 11.574 3.300 5.732 392 HG11 VAL 455 1HG1 VAL 455 9.945 1.435 5.262 393 HG12 VAL 455 2HG1 VAL 455 9.271 3.063 5.221 394 HG13 VAL 455 3HG1 VAL 455 8.995 2.030 6.623 395 HG21 VAL 455 3HG2 VAL 455 9.848 4.546 7.155 396 HG22 VAL 455 1HG2 VAL 455 11.513 4.506 7.736 397 HG23 VAL 455 2HG2 VAL 455 10.304 3.436 8.448 398 H VAL 456 H VAL 456 10.709 -0.450 6.355 399 HA VAL 456 HA VAL 456 12.920 -1.154 4.559 400 HB VAL 456 HB VAL 456 12.305 -3.393 4.712 401 HG11 VAL 456 1HG1 VAL 456 12.743 -3.732 6.871 402 HG12 VAL 456 2HG1 VAL 456 11.224 -2.993 7.380 403 HG13 VAL 456 3HG1 VAL 456 12.634 -1.982 7.060 404 HG21 VAL 456 3HG2 VAL 456 9.573 -2.473 5.593 405 HG22 VAL 456 1HG2 VAL 456 10.096 -4.156 5.600 406 HG23 VAL 456 2HG2 VAL 456 10.000 -3.269 4.079 407 H THR 457 H THR 457 12.655 -1.323 2.370 408 HA THR 457 HA THR 457 9.935 -1.025 1.314 409 HB THR 457 HB THR 457 12.184 0.394 -0.060 410 HG1 THR 457 1HG THR 457 10.679 1.285 2.179 411 HG21 THR 457 3HG2 THR 457 9.336 1.292 0.099 412 HG22 THR 457 1HG2 THR 457 9.753 -0.068 -0.946 413 HG23 THR 457 2HG2 THR 457 10.510 1.506 -1.200 414 H THR 458 H THR 458 9.450 -2.571 -0.071 415 HA THR 458 HA THR 458 11.645 -3.913 -1.509 416 HB THR 458 HB THR 458 9.052 -5.305 -1.406 417 HG1 THR 458 1HG THR 458 10.521 -4.703 0.946 418 HG21 THR 458 3HG2 THR 458 11.548 -6.013 -2.090 419 HG22 THR 458 1HG2 THR 458 10.353 -7.165 -1.495 420 HG23 THR 458 2HG2 THR 458 11.562 -6.504 -0.396 421 H TYR 459 H TYR 459 11.674 -3.712 -3.664 422 HA TYR 459 HA TYR 459 9.282 -2.617 -4.976 423 HB2 TYR 459 2HB TYR 459 12.216 -2.395 -5.559 424 HB3 TYR 459 1HB TYR 459 11.034 -2.117 -6.834 425 HD1 TYR 459 2HD TYR 459 9.406 -0.250 -6.617 426 HD2 TYR 459 1HD TYR 459 12.596 -0.779 -3.854 427 HE1 TYR 459 2HE TYR 459 9.114 2.067 -5.847 428 HE2 TYR 459 1HE TYR 459 12.313 1.536 -3.073 429 HH TYR 459 HH TYR 459 10.608 3.836 -4.723 430 H GLU 460 H GLU 460 8.151 -3.867 -6.282 431 HA GLU 460 HA GLU 460 9.498 -6.074 -7.673 432 HB2 GLU 460 2HB GLU 460 7.799 -6.476 -5.547 433 HB3 GLU 460 1HB GLU 460 6.720 -6.638 -6.925 434 HG2 GLU 460 2HG GLU 460 9.220 -8.213 -6.371 435 HG3 GLU 460 1HG GLU 460 7.558 -8.796 -6.347 436 H GLY 461 H GLY 461 9.231 -5.902 -9.793 437 HA2 GLY 461 2HA GLY 461 7.726 -5.881 -11.688 438 HA3 GLY 461 1HA GLY 461 6.710 -4.754 -10.803 439 H LYS 462 H LYS 462 8.362 -4.803 -13.448 440 HA LYS 462 HA LYS 462 9.988 -2.415 -13.072 441 HB2 LYS 462 2HB LYS 462 10.466 -4.557 -14.572 442 HB3 LYS 462 1HB LYS 462 9.552 -3.633 -15.757 443 HG2 LYS 462 2HG LYS 462 11.348 -1.796 -14.751 444 HG3 LYS 462 1HG LYS 462 12.278 -3.293 -14.829 445 HD2 LYS 462 2HD LYS 462 11.327 -3.524 -17.204 446 HD3 LYS 462 1HD LYS 462 10.891 -1.822 -17.048 447 HE2 LYS 462 2HE LYS 462 13.032 -1.122 -17.195 448 HE3 LYS 462 1HE LYS 462 13.656 -2.504 -16.294 449 HZ1 LYS 462 3HZ LYS 462 14.435 -3.077 -18.310 450 HZ2 LYS 462 1HZ LYS 462 13.282 -2.172 -19.155 451 HZ3 LYS 462 2HZ LYS 462 12.877 -3.694 -18.539 452 H HIS 463 H HIS 463 9.762 -0.593 -14.591 453 HA HIS 463 HA HIS 463 6.926 -0.081 -15.196 454 HB2 HIS 463 2HB HIS 463 9.106 1.953 -14.681 455 HB3 HIS 463 1HB HIS 463 7.393 2.286 -14.910 456 HD2 HIS 463 2HD HIS 463 9.694 0.586 -12.193 457 HE1 HIS 463 1HE HIS 463 6.057 1.824 -10.392 458 HE2 HIS 463 2HE HIS 463 8.377 0.928 -9.994 459 H ASN 464 H ASN 464 6.337 0.397 -17.225 460 HA ASN 464 HA ASN 464 8.475 0.607 -19.237 461 HB2 ASN 464 2HB ASN 464 6.672 -0.121 -20.851 462 HB3 ASN 464 1HB ASN 464 7.140 -1.328 -19.658 463 HD21 ASN 464 1HD2 ASN 464 5.148 -2.376 -19.981 464 HD22 ASN 464 2HD2 ASN 464 3.691 -1.766 -19.280 465 H HIS 465 H HIS 465 8.082 2.927 -18.017 466 HA HIS 465 HA HIS 465 7.024 4.592 -20.113 467 HB2 HIS 465 2HB HIS 465 5.428 5.812 -18.707 468 HB3 HIS 465 1HB HIS 465 4.974 4.117 -18.855 469 HD1 HIS 465 1HD HIS 465 6.555 6.504 -16.376 470 HD2 HIS 465 2HD HIS 465 4.737 2.777 -16.489 471 HE1 HIS 465 1HE HIS 465 6.263 5.828 -13.970 472 H ASP 466 H ASP 466 7.631 6.787 -19.916 473 HA ASP 466 HA ASP 466 10.142 7.295 -18.873 474 HB2 ASP 466 2HB ASP 466 9.252 9.793 -18.943 475 HB3 ASP 466 1HB ASP 466 9.557 8.892 -20.414 476 H LEU 467 H LEU 467 7.227 8.848 -17.659 477 HA LEU 467 HA LEU 467 7.091 8.113 -15.082 478 HB2 LEU 467 2HB LEU 467 8.417 9.655 -13.753 479 HB3 LEU 467 1HB LEU 467 9.442 8.685 -14.766 480 HG LEU 467 HG LEU 467 9.783 10.576 -16.275 481 HD11 LEU 467 1HD1 LEU 467 7.745 11.838 -14.505 482 HD12 LEU 467 2HD1 LEU 467 7.934 11.939 -16.256 483 HD13 LEU 467 3HD1 LEU 467 9.015 12.845 -15.199 484 HD21 LEU 467 3HD2 LEU 467 10.917 12.074 -14.548 485 HD22 LEU 467 1HD2 LEU 467 11.401 10.377 -14.594 486 HD23 LEU 467 2HD2 LEU 467 10.291 10.945 -13.345 487 HA PRO 468 HA PRO 468 4.010 11.270 -15.237 488 HB2 PRO 468 2HB PRO 468 3.691 11.437 -12.388 489 HB3 PRO 468 1HB PRO 468 2.740 10.494 -13.535 490 HG2 PRO 468 2HG PRO 468 4.383 9.399 -11.621 491 HG3 PRO 468 1HG PRO 468 3.915 8.580 -13.122 492 HD2 PRO 468 2HD PRO 468 6.435 10.073 -12.479 493 HD3 PRO 468 1HD PRO 468 6.232 8.533 -13.351 494 H ALA 469 H ALA 469 5.809 12.822 -15.885 495 HA ALA 469 HA ALA 469 6.983 14.574 -14.020 496 HB1 ALA 469 1HB ALA 469 7.497 14.153 -16.550 497 HB2 ALA 469 2HB ALA 469 7.817 15.729 -15.826 498 HB3 ALA 469 3HB ALA 469 6.364 15.483 -16.793 499 H5' DC 3 H5' DC 3 -1.949 17.213 -6.614 500 H5'' DC 3 H5" DC 3 -3.709 17.411 -6.705 501 H4' DC 3 H4' DC 3 -2.096 15.970 -4.610 502 H3' DC 3 H3' DC 3 -3.928 15.050 -6.777 503 H2' DC 3 H2' DC 3 -5.152 13.676 -5.329 504 H2'' DC 3 H2" DC 3 -3.735 13.297 -4.364 505 H1' DC 3 H1' DC 3 -4.208 14.920 -2.828 506 H41 DC 3 1H4 DC 3 -10.399 15.986 -2.016 507 H42 DC 3 2H4 DC 3 -10.727 15.688 -3.708 508 H5 DC 3 5H DC 3 -8.982 15.234 -5.327 509 H6 DC 3 6H DC 3 -6.579 14.962 -5.645 510 H5' DC 4 H5' DC 4 -0.859 12.129 -4.169 511 H5'' DC 4 H5" DC 4 -1.286 10.445 -4.540 512 H4' DC 4 H4' DC 4 -1.483 11.651 -2.099 513 H3' DC 4 H3' DC 4 -1.906 9.091 -3.017 514 H2' DC 4 H2' DC 4 -4.240 9.240 -3.442 515 H2'' DC 4 H2" DC 4 -4.305 8.876 -1.722 516 H1' DC 4 H1' DC 4 -4.531 11.175 -1.096 517 H41 DC 4 1H4 DC 4 -10.164 12.350 -3.712 518 H42 DC 4 2H4 DC 4 -9.550 12.112 -5.333 519 H5 DC 4 5H DC 4 -7.243 11.510 -5.785 520 H6 DC 4 6H DC 4 -5.077 11.021 -4.776 521 H5' DT 5 H5' DT 5 -3.148 10.437 1.013 522 H5'' DT 5 H5" DT 5 -1.998 9.670 2.127 523 H4' DT 5 H4' DT 5 -3.770 10.391 3.465 524 H3' DT 5 H3' DT 5 -3.177 7.782 3.595 525 H2' DT 5 H2' DT 5 -4.765 6.954 2.002 526 H2'' DT 5 H2" DT 5 -5.696 6.810 3.486 527 H1' DT 5 H1' DT 5 -6.886 8.845 3.105 528 H3 DT 5 3H DT 5 -9.739 8.353 -0.281 529 H71 DT 5 1H7 DT 5 -6.399 6.211 -2.798 530 H72 DT 5 2H7 DT 5 -5.803 7.860 -3.109 531 H73 DT 5 3H7 DT 5 -4.892 6.771 -2.034 532 H6 DT 5 6H DT 5 -5.030 7.707 0.103 533 H5' DT 6 H5' DT 6 -6.515 8.037 5.860 534 H5'' DT 6 H5" DT 6 -6.563 8.094 7.634 535 H4' DT 6 H4' DT 6 -7.862 6.317 7.718 536 H3' DT 6 H3' DT 6 -5.655 4.975 6.238 537 H2' DT 6 H2' DT 6 -7.092 3.484 5.158 538 H2'' DT 6 H2" DT 6 -8.121 3.345 6.571 539 H1' DT 6 H1' DT 6 -9.591 4.924 5.826 540 H3 DT 6 3H DT 6 -11.076 4.998 1.607 541 H71 DT 6 1H7 DT 6 -6.959 3.842 -0.075 542 H72 DT 6 2H7 DT 6 -6.115 5.225 0.659 543 H73 DT 6 3H7 DT 6 -5.945 3.602 1.367 544 H6 DT 6 6H DT 6 -6.735 4.572 3.534 545 H5' DT 7 H5' DT 7 -8.602 3.552 9.369 546 H5'' DT 7 H5" DT 7 -8.405 1.945 10.097 547 H4' DT 7 H4' DT 7 -10.722 2.655 9.252 548 H3' DT 7 H3' DT 7 -9.736 0.159 9.648 549 H2' DT 7 H2' DT 7 -8.986 -0.288 7.422 550 H2'' DT 7 H2" DT 7 -10.639 -0.877 7.311 551 H1' DT 7 H1' DT 7 -11.446 1.157 6.333 552 H3 DT 7 3H DT 7 -10.068 0.942 2.106 553 H71 DT 7 1H7 DT 7 -5.618 0.406 4.678 554 H72 DT 7 2H7 DT 7 -5.703 2.183 4.721 555 H73 DT 7 3H7 DT 7 -5.650 1.333 3.158 556 H6 DT 7 6H DT 7 -7.737 1.280 6.251 557 H5' DG 8 H5' DG 8 -14.650 -0.594 8.768 558 H5'' DG 8 H5" DG 8 -14.918 -1.459 10.296 559 H4' DG 8 H4' DG 8 -16.109 -2.556 8.533 560 H3' DG 8 H3' DG 8 -14.605 -3.981 10.244 561 H2' DG 8 H2' DG 8 -12.601 -4.152 8.946 562 H2'' DG 8 H2" DG 8 -13.440 -5.601 8.406 563 H1' DG 8 H1' DG 8 -14.234 -4.579 6.410 564 H8 DG 8 8H DG 8 -11.111 -3.150 8.079 565 H1 DG 8 1H DG 8 -10.993 -3.178 1.665 566 H21 DG 8 1H2 DG 8 -12.946 -3.774 0.868 567 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16.088 0.508 723 H22 DG 30 2H2 DG 30 -5.544 16.364 2.175
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