NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
565348 | 2m3o | 18971 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 416 HT1 GLY 416 -8.458 -0.263 -0.797 2 H2 GLY 416 HT2 GLY 416 -9.786 0.141 0.178 3 H3 GLY 416 HT3 GLY 416 -8.339 1.016 0.312 4 HA2 GLY 416 HA1 GLY 416 -9.990 2.277 -0.926 5 HA3 GLY 416 HA2 GLY 416 -8.602 1.866 -1.929 6 H SER 417 HN SER 417 -9.638 1.839 -3.904 7 HA SER 417 HA SER 417 -12.106 0.509 -4.341 8 HB2 SER 417 HB2 SER 417 -9.939 1.365 -6.272 9 HB3 SER 417 HB1 SER 417 -11.514 0.741 -6.762 10 HG SER 417 HG SER 417 -12.092 2.757 -6.637 11 H MET 418 HN MET 418 -12.529 -1.552 -4.686 12 HA MET 418 HA MET 418 -10.267 -3.404 -5.123 13 HB2 MET 418 HB2 MET 418 -12.838 -3.975 -3.636 14 HB3 MET 418 HB1 MET 418 -11.460 -5.054 -3.801 15 HG2 MET 418 HG2 MET 418 -10.135 -3.766 -2.367 16 HG3 MET 418 HG1 MET 418 -11.216 -2.378 -2.476 17 HE1 MET 418 HE1 MET 418 -14.317 -3.614 -0.429 18 HE2 MET 418 HE2 MET 418 -14.058 -3.738 -2.170 19 HE3 MET 418 HE3 MET 418 -13.599 -2.266 -1.312 20 H GLU 419 HN GLU 419 -13.549 -4.427 -4.992 21 HA GLU 419 HA GLU 419 -14.998 -5.314 -6.487 22 HB2 GLU 419 HB2 GLU 419 -13.949 -3.046 -8.171 23 HB3 GLU 419 HB1 GLU 419 -15.420 -3.954 -8.495 24 HG2 GLU 419 HG2 GLU 419 -16.434 -3.154 -6.484 25 HG3 GLU 419 HG1 GLU 419 -14.929 -2.384 -5.978 26 H GLN 420 HN GLN 420 -13.607 -7.240 -6.615 27 HA GLN 420 HA GLN 420 -11.791 -7.879 -8.518 28 HB2 GLN 420 HB2 GLN 420 -12.801 -10.209 -8.470 29 HB3 GLN 420 HB1 GLN 420 -12.315 -9.525 -6.927 30 HG2 GLN 420 HG2 GLN 420 -14.612 -8.988 -6.404 31 HG3 GLN 420 HG1 GLN 420 -15.133 -9.554 -7.989 32 HE21 GLN 420 HE21 GLN 420 -15.238 -11.742 -8.399 33 HE22 GLN 420 HE22 GLN 420 -15.137 -12.929 -7.146 34 H GLY 421 HN GLY 421 -11.894 -7.121 -10.509 35 HA2 GLY 421 HA2 GLY 421 -13.780 -8.333 -12.355 36 HA3 GLY 421 HA1 GLY 421 -13.835 -6.573 -12.256 37 H PHE 422 HN PHE 422 -11.262 -5.900 -11.908 38 HA PHE 422 HA PHE 422 -9.885 -6.989 -14.267 39 HB2 PHE 422 HB2 PHE 422 -9.808 -4.218 -13.054 40 HB3 PHE 422 HB1 PHE 422 -8.611 -4.780 -14.216 41 HD1 PHE 422 HD1 PHE 422 -9.324 -5.359 -16.525 42 HD2 PHE 422 HD2 PHE 422 -11.949 -3.505 -13.739 43 HE1 PHE 422 HE1 PHE 422 -10.801 -4.681 -18.372 44 HE2 PHE 422 HE2 PHE 422 -13.427 -2.822 -15.581 45 HZ PHE 422 HZ PHE 422 -12.855 -3.409 -17.900 46 H LEU 423 HN LEU 423 -7.818 -7.713 -13.988 47 HA LEU 423 HA LEU 423 -6.882 -7.775 -11.192 48 HB2 LEU 423 HB2 LEU 423 -6.611 -9.841 -13.374 49 HB3 LEU 423 HB1 LEU 423 -5.707 -9.910 -11.875 50 HG LEU 423 HG LEU 423 -7.503 -11.385 -11.577 51 HD11 LEU 423 HD11 LEU 423 -8.859 -10.375 -9.814 52 HD12 LEU 423 HD12 LEU 423 -8.303 -8.776 -10.306 53 HD13 LEU 423 HD13 LEU 423 -7.156 -9.947 -9.656 54 HD21 LEU 423 HD21 LEU 423 -9.348 -9.244 -12.626 55 HD22 LEU 423 HD22 LEU 423 -9.843 -10.822 -12.016 56 HD23 LEU 423 HD23 LEU 423 -8.865 -10.711 -13.479 57 HA PRO 424 HA PRO 424 -3.055 -5.937 -12.388 58 HB2 PRO 424 HB2 PRO 424 -1.572 -7.797 -10.677 59 HB3 PRO 424 HB1 PRO 424 -1.805 -6.057 -10.494 60 HG2 PRO 424 HG2 PRO 424 -2.972 -7.859 -8.853 61 HG3 PRO 424 HG1 PRO 424 -3.736 -6.312 -9.263 62 HD2 PRO 424 HD2 PRO 424 -4.282 -9.050 -10.347 63 HD3 PRO 424 HD1 PRO 424 -5.422 -7.750 -9.938 64 H LYS 425 HN LYS 425 -0.813 -6.480 -13.158 65 HA LYS 425 HA LYS 425 -0.894 -8.189 -15.362 66 HB2 LYS 425 HB2 LYS 425 0.657 -6.303 -15.184 67 HB3 LYS 425 HB1 LYS 425 1.500 -7.099 -13.865 68 HG2 LYS 425 HG2 LYS 425 1.316 -8.515 -16.474 69 HG3 LYS 425 HG1 LYS 425 2.422 -7.147 -16.331 70 HD2 LYS 425 HD2 LYS 425 3.556 -8.210 -14.479 71 HD3 LYS 425 HD1 LYS 425 2.386 -9.531 -14.480 72 HE2 LYS 425 HE2 LYS 425 4.482 -10.173 -15.565 73 HE3 LYS 425 HE1 LYS 425 3.127 -10.208 -16.689 74 HZ1 LYS 425 HZ1 LYS 425 4.997 -7.912 -16.466 75 HZ2 LYS 425 HZ2 LYS 425 3.843 -8.191 -17.680 76 HZ3 LYS 425 HZ3 LYS 425 5.209 -9.185 -17.565 77 H GLY 426 HN GLY 426 -0.322 -10.259 -15.729 78 HA2 GLY 426 HA2 GLY 426 0.400 -12.408 -15.316 79 HA3 GLY 426 HA1 GLY 426 1.147 -11.829 -13.838 80 H TRP 427 HN TRP 427 -1.947 -10.813 -13.539 81 HA TRP 427 HA TRP 427 -2.618 -13.228 -12.012 82 HB2 TRP 427 HB2 TRP 427 -3.450 -10.350 -11.700 83 HB3 TRP 427 HB1 TRP 427 -4.279 -11.664 -10.868 84 HD1 TRP 427 HD1 TRP 427 -0.932 -9.794 -10.917 85 HE1 TRP 427 HE1 TRP 427 0.328 -10.328 -8.737 86 HE3 TRP 427 HE3 TRP 427 -4.034 -13.403 -9.050 87 HZ2 TRP 427 HZ2 TRP 427 0.043 -12.051 -6.519 88 HZ3 TRP 427 HZ3 TRP 427 -3.469 -14.446 -6.894 89 HH2 TRP 427 HH2 TRP 427 -1.471 -13.784 -5.654 90 H GLU 428 HN GLU 428 -4.169 -14.519 -12.688 91 HA GLU 428 HA GLU 428 -6.197 -13.482 -14.555 92 HB2 GLU 428 HB2 GLU 428 -4.498 -15.404 -15.145 93 HB3 GLU 428 HB1 GLU 428 -5.571 -16.391 -14.164 94 HG2 GLU 428 HG2 GLU 428 -6.263 -16.687 -16.387 95 HG3 GLU 428 HG1 GLU 428 -7.447 -15.600 -15.660 96 H VAL 429 HN VAL 429 -8.345 -14.590 -14.299 97 HA VAL 429 HA VAL 429 -8.782 -15.703 -11.624 98 HB VAL 429 HB VAL 429 -9.472 -13.332 -11.531 99 HG11 VAL 429 HG11 VAL 429 -11.420 -12.561 -12.786 100 HG12 VAL 429 HG12 VAL 429 -11.455 -14.090 -13.665 101 HG13 VAL 429 HG13 VAL 429 -10.087 -12.993 -13.856 102 HG21 VAL 429 HG21 VAL 429 -11.745 -13.698 -10.668 103 HG22 VAL 429 HG22 VAL 429 -10.612 -14.930 -10.114 104 HG23 VAL 429 HG23 VAL 429 -11.753 -15.300 -11.407 105 H ARG 430 HN ARG 430 -10.147 -17.412 -11.571 106 HA ARG 430 HA ARG 430 -11.680 -18.021 -13.998 107 HB2 ARG 430 HB2 ARG 430 -9.434 -19.149 -14.076 108 HB3 ARG 430 HB1 ARG 430 -9.884 -20.027 -12.622 109 HG2 ARG 430 HG2 ARG 430 -11.630 -21.172 -13.771 110 HG3 ARG 430 HG1 ARG 430 -11.432 -20.153 -15.196 111 HD2 ARG 430 HD2 ARG 430 -9.174 -21.061 -15.515 112 HD3 ARG 430 HD1 ARG 430 -9.400 -22.094 -14.104 113 HE ARG 430 HE ARG 430 -11.245 -23.166 -15.370 114 HH11 ARG 430 HH11 ARG 430 -8.756 -21.417 -17.096 115 HH12 ARG 430 HH12 ARG 430 -8.950 -22.320 -18.568 116 HH21 ARG 430 HH21 ARG 430 -11.507 -24.371 -17.307 117 HH22 ARG 430 HH22 ARG 430 -10.499 -24.008 -18.679 118 H HIS 431 HN HIS 431 -13.109 -20.010 -13.557 119 HA HIS 431 HA HIS 431 -14.243 -19.688 -10.863 120 HB2 HIS 431 HB2 HIS 431 -15.461 -20.092 -13.538 121 HB3 HIS 431 HB1 HIS 431 -16.233 -20.924 -12.191 122 HD1 HIS 431 HD1 HIS 431 -16.307 -17.799 -13.949 123 HD2 HIS 431 HD2 HIS 431 -16.813 -18.982 -9.992 124 HE1 HIS 431 HE1 HIS 431 -17.541 -15.912 -12.824 125 HE2 HIS 431 HE2 HIS 431 -17.993 -16.735 -10.478 126 H ALA 432 HN ALA 432 -14.406 -21.380 -9.547 127 HA ALA 432 HA ALA 432 -13.206 -23.894 -10.390 128 HB1 ALA 432 HB1 ALA 432 -14.311 -23.032 -7.710 129 HB2 ALA 432 HB2 ALA 432 -12.619 -22.956 -8.200 130 HB3 ALA 432 HB3 ALA 432 -13.417 -24.519 -8.022 131 HA PRO 433 HA PRO 433 -16.939 -26.116 -11.259 132 HB2 PRO 433 HB2 PRO 433 -16.012 -28.192 -9.332 133 HB3 PRO 433 HB1 PRO 433 -16.497 -28.361 -11.025 134 HG2 PRO 433 HG2 PRO 433 -13.931 -28.470 -10.358 135 HG3 PRO 433 HG1 PRO 433 -14.443 -27.610 -11.823 136 HD2 PRO 433 HD2 PRO 433 -13.645 -26.506 -9.158 137 HD3 PRO 433 HD1 PRO 433 -13.268 -25.903 -10.786 138 H ASN 434 HN ASN 434 -15.990 -25.589 -7.937 139 HA ASN 434 HA ASN 434 -18.504 -26.249 -6.771 140 HB2 ASN 434 HB2 ASN 434 -16.214 -24.583 -5.709 141 HB3 ASN 434 HB1 ASN 434 -17.585 -25.138 -4.755 142 HD21 ASN 434 HD21 ASN 434 -17.711 -27.272 -4.149 143 HD22 ASN 434 HD22 ASN 434 -16.383 -28.367 -4.312 144 H GLY 435 HN GLY 435 -17.383 -23.562 -8.545 145 HA2 GLY 435 HA2 GLY 435 -19.044 -21.993 -9.338 146 HA3 GLY 435 HA1 GLY 435 -19.819 -22.088 -7.764 147 H ARG 436 HN ARG 436 -16.972 -21.971 -6.606 148 HA ARG 436 HA ARG 436 -16.977 -19.110 -6.289 149 HB2 ARG 436 HB2 ARG 436 -15.355 -21.335 -5.069 150 HB3 ARG 436 HB1 ARG 436 -14.970 -19.645 -4.777 151 HG2 ARG 436 HG2 ARG 436 -17.642 -20.908 -4.196 152 HG3 ARG 436 HG1 ARG 436 -16.361 -20.665 -3.005 153 HD2 ARG 436 HD2 ARG 436 -16.486 -18.300 -3.236 154 HD3 ARG 436 HD1 ARG 436 -17.534 -18.431 -4.645 155 HE ARG 436 HE ARG 436 -19.096 -19.560 -2.865 156 HH11 ARG 436 HH11 ARG 436 -17.027 -16.755 -2.448 157 HH12 ARG 436 HH12 ARG 436 -18.080 -16.000 -1.287 158 HH21 ARG 436 HH21 ARG 436 -20.484 -18.549 -1.334 159 HH22 ARG 436 HH22 ARG 436 -20.026 -17.010 -0.656 160 HA PRO 437 HA PRO 437 -13.792 -18.367 -9.283 161 HB2 PRO 437 HB2 PRO 437 -13.386 -15.754 -8.760 162 HB3 PRO 437 HB1 PRO 437 -14.843 -16.332 -9.566 163 HG2 PRO 437 HG2 PRO 437 -14.456 -15.436 -6.763 164 HG3 PRO 437 HG1 PRO 437 -15.882 -15.290 -7.801 165 HD2 PRO 437 HD2 PRO 437 -15.491 -17.200 -5.793 166 HD3 PRO 437 HD1 PRO 437 -16.723 -17.263 -7.066 167 H PHE 438 HN PHE 438 -11.615 -18.482 -9.316 168 HA PHE 438 HA PHE 438 -10.158 -17.684 -6.901 169 HB2 PHE 438 HB2 PHE 438 -8.703 -19.635 -7.053 170 HB3 PHE 438 HB1 PHE 438 -10.376 -20.137 -6.868 171 HD1 PHE 438 HD2 PHE 438 -11.590 -21.114 -8.784 172 HD2 PHE 438 HD1 PHE 438 -7.444 -20.183 -8.986 173 HE1 PHE 438 HE2 PHE 438 -11.364 -22.558 -10.763 174 HE2 PHE 438 HE1 PHE 438 -7.213 -21.625 -10.962 175 HZ PHE 438 HZ PHE 438 -9.173 -22.815 -11.855 176 H PHE 439 HN PHE 439 -8.032 -17.012 -7.231 177 HA PHE 439 HA PHE 439 -7.625 -15.892 -9.894 178 HB2 PHE 439 HB2 PHE 439 -6.253 -15.210 -7.284 179 HB3 PHE 439 HB1 PHE 439 -6.133 -14.313 -8.799 180 HD1 PHE 439 HD1 PHE 439 -8.303 -15.144 -5.959 181 HD2 PHE 439 HD2 PHE 439 -7.922 -12.875 -9.541 182 HE1 PHE 439 HE1 PHE 439 -10.277 -13.821 -5.324 183 HE2 PHE 439 HE2 PHE 439 -9.897 -11.546 -8.905 184 HZ PHE 439 HZ PHE 439 -11.075 -12.018 -6.796 185 H ILE 440 HN ILE 440 -5.797 -16.169 -11.055 186 HA ILE 440 HA ILE 440 -3.996 -18.351 -10.194 187 HB ILE 440 HB ILE 440 -4.731 -17.754 -13.058 188 HG12 ILE 440 HG12 ILE 440 -5.957 -19.949 -11.389 189 HG13 ILE 440 HG11 ILE 440 -6.736 -18.386 -11.614 190 HG21 ILE 440 HG21 ILE 440 -2.678 -19.009 -12.702 191 HG22 ILE 440 HG22 ILE 440 -3.912 -20.032 -13.436 192 HG23 ILE 440 HG23 ILE 440 -3.550 -20.185 -11.717 193 HD11 ILE 440 HD11 ILE 440 -6.771 -18.772 -14.030 194 HD12 ILE 440 HD12 ILE 440 -7.629 -20.032 -13.143 195 HD13 ILE 440 HD13 ILE 440 -6.015 -20.346 -13.781 196 H ASP 441 HN ASP 441 -2.005 -17.513 -9.852 197 HA ASP 441 HA ASP 441 -1.198 -15.120 -11.288 198 HB2 ASP 441 HB2 ASP 441 -0.680 -15.114 -8.954 199 HB3 ASP 441 HB1 ASP 441 0.075 -16.701 -9.059 200 H HIS 442 HN HIS 442 -0.469 -15.399 -13.265 201 HA HIS 442 HA HIS 442 0.664 -17.719 -14.353 202 HB2 HIS 442 HB2 HIS 442 0.888 -14.833 -15.214 203 HB3 HIS 442 HB1 HIS 442 1.494 -16.177 -16.168 204 HD1 HIS 442 HD1 HIS 442 -0.076 -17.063 -17.850 205 HD2 HIS 442 HD2 HIS 442 -2.053 -15.029 -14.807 206 HE1 HIS 442 HE1 HIS 442 -2.491 -16.974 -18.547 207 HE2 HIS 442 HE2 HIS 442 -3.601 -15.508 -16.829 208 H ASN 443 HN ASN 443 2.105 -15.236 -12.438 209 HA ASN 443 HA ASN 443 4.742 -15.373 -13.460 210 HB2 ASN 443 HB2 ASN 443 3.784 -14.438 -10.752 211 HB3 ASN 443 HB1 ASN 443 5.402 -14.177 -11.398 212 HD21 ASN 443 HD21 ASN 443 2.130 -13.160 -11.372 213 HD22 ASN 443 HD22 ASN 443 2.319 -11.808 -12.447 214 H THR 444 HN THR 444 3.414 -16.748 -10.412 215 HA THR 444 HA THR 444 5.754 -18.549 -10.436 216 HB THR 444 HB THR 444 5.665 -17.031 -8.497 217 HG1 THR 444 HG1 THR 444 5.435 -19.828 -8.133 218 HG21 THR 444 HG21 THR 444 3.251 -16.815 -8.267 219 HG22 THR 444 HG22 THR 444 3.975 -17.366 -6.756 220 HG23 THR 444 HG23 THR 444 3.131 -18.512 -7.800 221 H LYS 445 HN LYS 445 2.783 -18.707 -11.468 222 HA LYS 445 HA LYS 445 1.389 -20.415 -12.029 223 HB2 LYS 445 HB2 LYS 445 3.555 -22.166 -10.850 224 HB3 LYS 445 HB1 LYS 445 2.211 -22.734 -11.829 225 HG2 LYS 445 HG2 LYS 445 4.336 -20.819 -12.755 226 HG3 LYS 445 HG1 LYS 445 4.298 -22.552 -13.097 227 HD2 LYS 445 HD2 LYS 445 2.213 -22.295 -14.302 228 HD3 LYS 445 HD1 LYS 445 2.155 -20.581 -13.887 229 HE2 LYS 445 HE2 LYS 445 2.958 -20.900 -16.160 230 HE3 LYS 445 HE1 LYS 445 4.210 -20.203 -15.132 231 HZ1 LYS 445 HZ1 LYS 445 5.107 -21.937 -16.547 232 HZ2 LYS 445 HZ2 LYS 445 4.007 -23.065 -15.919 233 HZ3 LYS 445 HZ3 LYS 445 5.205 -22.402 -14.921 234 H THR 446 HN THR 446 1.185 -19.156 -9.379 235 HA THR 446 HA THR 446 0.155 -21.415 -7.806 236 HB THR 446 HB THR 446 1.871 -19.814 -6.786 237 HG1 THR 446 HG1 THR 446 0.170 -21.247 -5.683 238 HG21 THR 446 HG21 THR 446 0.873 -17.713 -7.560 239 HG22 THR 446 HG22 THR 446 0.985 -17.758 -5.801 240 HG23 THR 446 HG23 THR 446 -0.566 -18.039 -6.592 241 H THR 447 HN THR 447 -1.889 -21.318 -6.850 242 HA THR 447 HA THR 447 -3.746 -19.394 -8.081 243 HB THR 447 HB THR 447 -5.450 -21.275 -7.475 244 HG1 THR 447 HG1 THR 447 -4.014 -22.620 -6.319 245 HG21 THR 447 HG21 THR 447 -3.468 -21.653 -9.722 246 HG22 THR 447 HG22 THR 447 -4.883 -20.604 -9.765 247 HG23 THR 447 HG23 THR 447 -5.084 -22.350 -9.642 248 H THR 448 HN THR 448 -5.352 -18.468 -6.736 249 HA THR 448 HA THR 448 -5.235 -19.119 -3.888 250 HB THR 448 HB THR 448 -3.544 -17.369 -4.162 251 HG1 THR 448 HG1 THR 448 -4.951 -17.405 -2.277 252 HG21 THR 448 HG21 THR 448 -5.808 -15.693 -5.246 253 HG22 THR 448 HG22 THR 448 -4.409 -16.268 -6.155 254 HG23 THR 448 HG23 THR 448 -4.196 -15.100 -4.848 255 H TRP 449 HN TRP 449 -7.035 -18.447 -2.685 256 HA TRP 449 HA TRP 449 -9.412 -17.848 -4.304 257 HB2 TRP 449 HB2 TRP 449 -9.207 -18.675 -1.397 258 HB3 TRP 449 HB1 TRP 449 -10.692 -18.516 -2.324 259 HD1 TRP 449 HD1 TRP 449 -7.822 -20.885 -1.660 260 HE1 TRP 449 HE1 TRP 449 -8.297 -23.142 -2.801 261 HE3 TRP 449 HE3 TRP 449 -11.898 -19.531 -4.434 262 HZ2 TRP 449 HZ2 TRP 449 -10.165 -24.201 -4.645 263 HZ3 TRP 449 HZ3 TRP 449 -12.969 -21.226 -5.858 264 HH2 TRP 449 HH2 TRP 449 -12.120 -23.511 -5.960 265 H GLU 450 HN GLU 450 -7.122 -16.314 -2.494 266 HA GLU 450 HA GLU 450 -8.836 -14.378 -1.187 267 HB2 GLU 450 HB2 GLU 450 -6.731 -15.332 -0.183 268 HB3 GLU 450 HB1 GLU 450 -5.823 -14.433 -1.385 269 HG2 GLU 450 HG2 GLU 450 -6.548 -12.353 -0.480 270 HG3 GLU 450 HG1 GLU 450 -7.679 -13.163 0.606 271 H ASP 451 HN ASP 451 -8.701 -12.105 -1.616 272 HA ASP 451 HA ASP 451 -8.350 -11.605 -4.476 273 HB2 ASP 451 HB2 ASP 451 -10.532 -11.029 -3.506 274 HB3 ASP 451 HB1 ASP 451 -9.748 -9.954 -2.355 275 HA PRO 452 HA PRO 452 -4.617 -9.459 -3.390 276 HB2 PRO 452 HB2 PRO 452 -3.746 -8.988 -5.876 277 HB3 PRO 452 HB1 PRO 452 -3.765 -10.616 -5.188 278 HG2 PRO 452 HG2 PRO 452 -5.665 -9.354 -7.116 279 HG3 PRO 452 HG1 PRO 452 -5.025 -11.007 -7.087 280 HD2 PRO 452 HD2 PRO 452 -7.515 -10.257 -6.138 281 HD3 PRO 452 HD1 PRO 452 -6.642 -11.724 -5.653 282 H ARG 453 HN ARG 453 -7.377 -8.019 -4.761 283 HA ARG 453 HA ARG 453 -6.061 -5.443 -5.105 284 HB2 ARG 453 HB2 ARG 453 -8.968 -6.132 -5.543 285 HB3 ARG 453 HB1 ARG 453 -8.137 -4.676 -6.069 286 HG2 ARG 453 HG2 ARG 453 -6.604 -6.525 -7.264 287 HG3 ARG 453 HG1 ARG 453 -8.154 -7.369 -7.246 288 HD2 ARG 453 HD2 ARG 453 -7.967 -6.123 -9.296 289 HD3 ARG 453 HD1 ARG 453 -9.196 -5.370 -8.280 290 HE ARG 453 HE ARG 453 -7.001 -3.962 -7.628 291 HH11 ARG 453 HH11 ARG 453 -8.356 -4.842 -10.733 292 HH12 ARG 453 HH12 ARG 453 -7.745 -3.424 -11.543 293 HH21 ARG 453 HH21 ARG 453 -6.204 -2.108 -8.683 294 HH22 ARG 453 HH22 ARG 453 -6.528 -1.874 -10.371 295 H LEU 454 HN LEU 454 -8.312 -7.049 -2.911 296 HA LEU 454 HA LEU 454 -8.867 -4.612 -1.479 297 HB2 LEU 454 HB2 LEU 454 -9.955 -6.105 0.209 298 HB3 LEU 454 HB1 LEU 454 -10.610 -6.200 -1.408 299 HG LEU 454 HG LEU 454 -9.131 -8.294 -1.669 300 HD11 LEU 454 HD11 LEU 454 -8.704 -9.509 0.410 301 HD12 LEU 454 HD12 LEU 454 -9.214 -8.099 1.339 302 HD13 LEU 454 HD13 LEU 454 -7.771 -8.013 0.328 303 HD21 LEU 454 HD21 LEU 454 -11.505 -8.287 0.188 304 HD22 LEU 454 HD22 LEU 454 -10.885 -9.684 -0.692 305 HD23 LEU 454 HD23 LEU 454 -11.562 -8.316 -1.575 306 H LYS 455 HN LYS 455 -6.273 -6.634 -1.626 307 HA LYS 455 HA LYS 455 -5.241 -5.638 0.946 308 HB2 LYS 455 HB2 LYS 455 -4.465 -8.129 -0.606 309 HB3 LYS 455 HB1 LYS 455 -3.584 -7.526 0.796 310 HG2 LYS 455 HG2 LYS 455 -5.534 -7.837 2.195 311 HG3 LYS 455 HG1 LYS 455 -6.481 -8.346 0.801 312 HD2 LYS 455 HD2 LYS 455 -5.806 -10.281 2.059 313 HD3 LYS 455 HD1 LYS 455 -4.956 -10.265 0.516 314 HE2 LYS 455 HE2 LYS 455 -2.940 -9.529 1.549 315 HE3 LYS 455 HE1 LYS 455 -3.768 -9.222 3.079 316 HZ1 LYS 455 HZ1 LYS 455 -4.045 -11.505 3.456 317 HZ2 LYS 455 HZ2 LYS 455 -2.444 -11.353 2.918 318 HZ3 LYS 455 HZ3 LYS 455 -3.648 -11.920 1.861 319 H ILE 456 HN ILE 456 -3.488 -4.288 0.813 320 HA ILE 456 HA ILE 456 -2.694 -3.639 -1.937 321 HB ILE 456 HB ILE 456 -2.538 -1.890 0.517 322 HG12 ILE 456 HG12 ILE 456 -4.451 -1.790 -1.829 323 HG13 ILE 456 HG11 ILE 456 -4.857 -2.356 -0.211 324 HG21 ILE 456 HG21 ILE 456 -0.819 -1.335 -1.097 325 HG22 ILE 456 HG22 ILE 456 -2.065 -0.085 -1.102 326 HG23 ILE 456 HG23 ILE 456 -2.012 -1.285 -2.394 327 HD11 ILE 456 HD11 ILE 456 -4.386 -0.119 0.675 328 HD12 ILE 456 HD12 ILE 456 -5.648 -0.091 -0.557 329 HD13 ILE 456 HD13 ILE 456 -4.013 0.437 -0.955 330 HA PRO 457 HA PRO 457 1.358 -5.134 -0.687 331 HB2 PRO 457 HB2 PRO 457 2.034 -4.762 -3.497 332 HB3 PRO 457 HB1 PRO 457 1.951 -6.261 -2.568 333 HG2 PRO 457 HG2 PRO 457 0.183 -5.642 -4.531 334 HG3 PRO 457 HG1 PRO 457 -0.247 -6.636 -3.127 335 HD2 PRO 457 HD2 PRO 457 -0.786 -3.731 -3.633 336 HD3 PRO 457 HD1 PRO 457 -1.850 -4.968 -2.929 337 H ALA 458 HN ALA 458 2.660 -3.690 0.244 338 HA ALA 458 HA ALA 458 3.928 -1.601 -1.255 339 HB1 ALA 458 HB1 ALA 458 2.047 -0.799 0.972 340 HB2 ALA 458 HB2 ALA 458 1.794 -0.494 -0.746 341 HB3 ALA 458 HB3 ALA 458 3.138 0.276 0.096 342 H1 THR 638 HN THR 638 -13.452 -25.553 0.700 343 HA THR 638 HA THR 638 -11.850 -27.279 2.316 344 HB THR 638 HB THR 638 -13.624 -28.986 1.678 345 HG1 THR 638 HG1 THR 638 -14.734 -28.436 -0.044 346 HG21 THR 638 HG21 THR 638 -14.552 -26.351 2.837 347 HG22 THR 638 HG22 THR 638 -13.763 -27.650 3.728 348 HG23 THR 638 HG23 THR 638 -15.364 -27.905 3.035 349 H ALA 639 HN ALA 639 -12.120 -26.649 -1.044 350 HA ALA 639 HA ALA 639 -10.379 -28.945 -1.639 351 HB1 ALA 639 HB1 ALA 639 -11.413 -29.108 -3.843 352 HB2 ALA 639 HB2 ALA 639 -12.498 -27.776 -3.446 353 HB3 ALA 639 HB3 ALA 639 -12.620 -29.304 -2.573 354 HA PRO 640 HA PRO 640 -7.705 -25.791 -3.305 355 HB2 PRO 640 HB2 PRO 640 -5.932 -27.351 -4.587 356 HB3 PRO 640 HB1 PRO 640 -6.027 -27.317 -2.823 357 HG2 PRO 640 HG2 PRO 640 -7.106 -29.336 -4.742 358 HG3 PRO 640 HG1 PRO 640 -6.327 -29.587 -3.170 359 HD2 PRO 640 HD2 PRO 640 -9.053 -29.633 -3.587 360 HD3 PRO 640 HD1 PRO 640 -8.280 -29.296 -2.027 361 HA PRO 641 HA PRO 641 -9.161 -25.259 -7.466 362 HB2 PRO 641 HB2 PRO 641 -7.654 -23.171 -8.227 363 HB3 PRO 641 HB1 PRO 641 -8.925 -23.009 -7.009 364 HG2 PRO 641 HG2 PRO 641 -5.972 -23.183 -6.652 365 HG3 PRO 641 HG1 PRO 641 -7.159 -22.223 -5.756 366 HD2 PRO 641 HD2 PRO 641 -6.069 -24.635 -4.904 367 HD3 PRO 641 HD1 PRO 641 -7.567 -23.914 -4.288 368 HA PRO 642 HA PRO 642 -6.517 -27.574 -10.163 369 HB2 PRO 642 HB2 PRO 642 -7.263 -26.426 -12.559 370 HB3 PRO 642 HB1 PRO 642 -8.164 -27.704 -11.739 371 HG2 PRO 642 HG2 PRO 642 -8.633 -24.754 -11.736 372 HG3 PRO 642 HG1 PRO 642 -9.810 -26.077 -11.833 373 HD2 PRO 642 HD2 PRO 642 -9.397 -24.749 -9.547 374 HD3 PRO 642 HD1 PRO 642 -9.707 -26.499 -9.553 375 H ALA 643 HN ALA 643 -4.497 -27.361 -10.960 376 HA ALA 643 HA ALA 643 -3.125 -24.902 -10.672 377 HB1 ALA 643 HB1 ALA 643 -1.180 -26.106 -11.499 378 HB2 ALA 643 HB2 ALA 643 -2.210 -27.434 -12.032 379 HB3 ALA 643 HB3 ALA 643 -2.052 -27.078 -10.313 380 H TYR 644 HN TYR 644 -1.767 -23.969 -12.402 381 HA TYR 644 HA TYR 644 -3.389 -22.943 -14.444 382 HB2 TYR 644 HB2 TYR 644 -1.503 -21.709 -13.503 383 HB3 TYR 644 HB1 TYR 644 -0.378 -22.897 -14.148 384 HD1 TYR 644 HD2 TYR 644 -3.032 -20.528 -15.278 385 HD2 TYR 644 HD1 TYR 644 0.645 -22.470 -16.178 386 HE1 TYR 644 HE2 TYR 644 -2.845 -19.206 -17.342 387 HE2 TYR 644 HE1 TYR 644 0.843 -21.152 -18.242 388 HH TYR 644 HH TYR 644 -0.530 -19.926 -19.781 389 H ALA 645 HN ALA 645 -0.938 -25.464 -14.457 390 HA ALA 645 HA ALA 645 -1.034 -25.873 -17.297 391 HB1 ALA 645 HB1 ALA 645 0.982 -26.408 -16.008 392 HB2 ALA 645 HB2 ALA 645 0.372 -27.827 -16.858 393 HB3 ALA 645 HB3 ALA 645 0.091 -27.647 -15.127 394 H THR 646 HN THR 646 -2.847 -26.864 -14.604 395 HA THR 646 HA THR 646 -3.918 -29.287 -15.700 396 HB THR 646 HB THR 646 -4.811 -27.574 -13.370 397 HG1 THR 646 HG1 THR 646 -3.268 -29.979 -13.490 398 HG21 THR 646 HG21 THR 646 -5.598 -30.398 -14.095 399 HG22 THR 646 HG22 THR 646 -6.643 -28.977 -14.167 400 HG23 THR 646 HG23 THR 646 -6.038 -29.549 -12.612 401 H LEU 647 HN LEU 647 -4.879 -25.917 -15.498 402 HA LEU 647 HA LEU 647 -7.480 -26.484 -16.665 403 HB2 LEU 647 HB2 LEU 647 -7.895 -24.065 -16.302 404 HB3 LEU 647 HB1 LEU 647 -7.467 -24.938 -14.845 405 HG LEU 647 HG LEU 647 -5.049 -24.059 -15.406 406 HD11 LEU 647 HD11 LEU 647 -5.621 -23.020 -17.529 407 HD12 LEU 647 HD12 LEU 647 -5.097 -21.809 -16.358 408 HD13 LEU 647 HD13 LEU 647 -6.813 -22.000 -16.721 409 HD21 LEU 647 HD21 LEU 647 -5.495 -22.140 -13.957 410 HD22 LEU 647 HD22 LEU 647 -6.285 -23.606 -13.374 411 HD23 LEU 647 HD23 LEU 647 -7.226 -22.367 -14.201 412 H GLY 648 HN GLY 648 -4.421 -25.948 -17.824 413 HA2 GLY 648 HA2 GLY 648 -5.392 -24.557 -20.233 414 HA3 GLY 648 HA1 GLY 648 -3.711 -24.654 -19.731 Start of MODEL 2 1 H1 GLY 416 HT1 GLY 416 -17.055 -11.752 3.212 2 H2 GLY 416 HT2 GLY 416 -17.295 -12.521 1.718 3 H3 GLY 416 HT3 GLY 416 -18.490 -11.495 2.345 4 HA2 GLY 416 HA1 GLY 416 -16.987 -9.606 2.161 5 HA3 GLY 416 HA2 GLY 416 -15.773 -10.678 1.474 6 H SER 417 HN SER 417 -16.394 -8.568 0.010 7 HA SER 417 HA SER 417 -17.648 -9.712 -2.321 8 HB2 SER 417 HB2 SER 417 -19.588 -8.808 -1.052 9 HB3 SER 417 HB1 SER 417 -18.835 -7.215 -1.077 10 HG SER 417 HG SER 417 -20.366 -8.370 -2.935 11 H MET 418 HN MET 418 -16.423 -9.126 -3.979 12 HA MET 418 HA MET 418 -15.005 -6.549 -3.829 13 HB2 MET 418 HB2 MET 418 -13.373 -8.285 -3.604 14 HB3 MET 418 HB1 MET 418 -14.065 -9.199 -4.935 15 HG2 MET 418 HG2 MET 418 -11.968 -8.080 -5.535 16 HG3 MET 418 HG1 MET 418 -13.330 -7.542 -6.516 17 HE1 MET 418 HE1 MET 418 -11.474 -5.080 -3.075 18 HE2 MET 418 HE2 MET 418 -10.865 -6.647 -3.604 19 HE3 MET 418 HE3 MET 418 -12.434 -6.535 -2.807 20 H GLU 419 HN GLU 419 -15.520 -5.150 -5.352 21 HA GLU 419 HA GLU 419 -17.354 -5.703 -7.402 22 HB2 GLU 419 HB2 GLU 419 -16.651 -3.432 -8.262 23 HB3 GLU 419 HB1 GLU 419 -17.208 -3.476 -6.594 24 HG2 GLU 419 HG2 GLU 419 -14.919 -3.419 -5.802 25 HG3 GLU 419 HG1 GLU 419 -14.326 -3.450 -7.462 26 H GLN 420 HN GLN 420 -17.111 -6.573 -9.338 27 HA GLN 420 HA GLN 420 -14.660 -7.553 -10.288 28 HB2 GLN 420 HB2 GLN 420 -17.229 -7.037 -11.793 29 HB3 GLN 420 HB1 GLN 420 -15.860 -7.924 -12.447 30 HG2 GLN 420 HG2 GLN 420 -16.107 -9.483 -10.463 31 HG3 GLN 420 HG1 GLN 420 -17.656 -8.696 -10.168 32 HE21 GLN 420 HE21 GLN 420 -18.098 -8.318 -13.076 33 HE22 GLN 420 HE22 GLN 420 -18.564 -9.875 -13.670 34 H GLY 421 HN GLY 421 -13.011 -6.428 -10.920 35 HA2 GLY 421 HA2 GLY 421 -13.419 -4.115 -12.694 36 HA3 GLY 421 HA1 GLY 421 -12.373 -3.969 -11.285 37 H PHE 422 HN PHE 422 -10.302 -4.072 -11.821 38 HA PHE 422 HA PHE 422 -9.539 -5.991 -13.915 39 HB2 PHE 422 HB2 PHE 422 -8.352 -3.285 -13.294 40 HB3 PHE 422 HB1 PHE 422 -7.575 -4.467 -14.343 41 HD1 PHE 422 HD1 PHE 422 -8.619 -5.109 -16.471 42 HD2 PHE 422 HD2 PHE 422 -10.207 -2.001 -14.040 43 HE1 PHE 422 HE1 PHE 422 -9.933 -4.293 -18.382 44 HE2 PHE 422 HE2 PHE 422 -11.523 -1.176 -15.948 45 HZ PHE 422 HZ PHE 422 -11.387 -2.323 -18.122 46 H LEU 423 HN LEU 423 -7.772 -7.236 -13.613 47 HA LEU 423 HA LEU 423 -6.860 -7.520 -10.853 48 HB2 LEU 423 HB2 LEU 423 -6.688 -9.320 -13.265 49 HB3 LEU 423 HB1 LEU 423 -5.803 -9.655 -11.793 50 HG LEU 423 HG LEU 423 -7.747 -11.008 -11.748 51 HD11 LEU 423 HD11 LEU 423 -8.945 -10.197 -9.776 52 HD12 LEU 423 HD12 LEU 423 -8.208 -8.609 -9.991 53 HD13 LEU 423 HD13 LEU 423 -7.199 -10.005 -9.616 54 HD21 LEU 423 HD21 LEU 423 -9.071 -9.849 -13.432 55 HD22 LEU 423 HD22 LEU 423 -9.364 -8.522 -12.309 56 HD23 LEU 423 HD23 LEU 423 -10.022 -10.123 -11.972 57 HA PRO 424 HA PRO 424 -2.815 -5.865 -11.583 58 HB2 PRO 424 HB2 PRO 424 -1.664 -8.149 -10.101 59 HB3 PRO 424 HB1 PRO 424 -1.600 -6.423 -9.727 60 HG2 PRO 424 HG2 PRO 424 -3.117 -8.094 -8.291 61 HG3 PRO 424 HG1 PRO 424 -3.654 -6.443 -8.655 62 HD2 PRO 424 HD2 PRO 424 -4.457 -9.027 -9.946 63 HD3 PRO 424 HD1 PRO 424 -5.466 -7.638 -9.485 64 H LYS 425 HN LYS 425 -0.735 -6.338 -12.567 65 HA LYS 425 HA LYS 425 -0.844 -7.772 -14.905 66 HB2 LYS 425 HB2 LYS 425 0.862 -6.069 -14.438 67 HB3 LYS 425 HB1 LYS 425 1.634 -7.145 -13.286 68 HG2 LYS 425 HG2 LYS 425 1.290 -8.060 -16.101 69 HG3 LYS 425 HG1 LYS 425 2.555 -6.890 -15.728 70 HD2 LYS 425 HD2 LYS 425 3.637 -8.388 -14.257 71 HD3 LYS 425 HD1 LYS 425 2.243 -9.465 -14.206 72 HE2 LYS 425 HE2 LYS 425 3.989 -10.430 -15.579 73 HE3 LYS 425 HE1 LYS 425 2.598 -10.011 -16.575 74 HZ1 LYS 425 HZ1 LYS 425 5.104 -8.430 -16.324 75 HZ2 LYS 425 HZ2 LYS 425 3.760 -7.998 -17.270 76 HZ3 LYS 425 HZ3 LYS 425 4.652 -9.388 -17.646 77 H GLY 426 HN GLY 426 -0.791 -9.792 -15.467 78 HA2 GLY 426 HA2 GLY 426 -0.250 -12.032 -15.498 79 HA3 GLY 426 HA1 GLY 426 0.794 -11.753 -14.119 80 H TRP 427 HN TRP 427 -2.292 -10.622 -13.381 81 HA TRP 427 HA TRP 427 -2.781 -13.127 -11.930 82 HB2 TRP 427 HB2 TRP 427 -3.496 -10.272 -11.336 83 HB3 TRP 427 HB1 TRP 427 -4.393 -11.591 -10.585 84 HD1 TRP 427 HD1 TRP 427 -0.939 -9.935 -10.583 85 HE1 TRP 427 HE1 TRP 427 0.374 -10.770 -8.523 86 HE3 TRP 427 HE3 TRP 427 -4.185 -13.535 -8.971 87 HZ2 TRP 427 HZ2 TRP 427 0.060 -12.701 -6.490 88 HZ3 TRP 427 HZ3 TRP 427 -3.607 -14.833 -6.961 89 HH2 TRP 427 HH2 TRP 427 -1.528 -14.423 -5.748 90 H GLU 428 HN GLU 428 -4.350 -14.395 -12.542 91 HA GLU 428 HA GLU 428 -6.474 -13.327 -14.286 92 HB2 GLU 428 HB2 GLU 428 -4.775 -15.112 -15.111 93 HB3 GLU 428 HB1 GLU 428 -5.655 -16.214 -14.065 94 HG2 GLU 428 HG2 GLU 428 -6.544 -16.502 -16.213 95 HG3 GLU 428 HG1 GLU 428 -7.734 -15.555 -15.322 96 H VAL 429 HN VAL 429 -8.568 -14.552 -14.048 97 HA VAL 429 HA VAL 429 -8.899 -15.784 -11.419 98 HB VAL 429 HB VAL 429 -9.671 -13.508 -11.103 99 HG11 VAL 429 HG11 VAL 429 -10.067 -12.876 -13.407 100 HG12 VAL 429 HG12 VAL 429 -11.491 -12.546 -12.422 101 HG13 VAL 429 HG13 VAL 429 -11.461 -13.954 -13.484 102 HG21 VAL 429 HG21 VAL 429 -12.000 -13.917 -10.453 103 HG22 VAL 429 HG22 VAL 429 -10.950 -15.259 -10.000 104 HG23 VAL 429 HG23 VAL 429 -12.001 -15.400 -11.409 105 H ARG 430 HN ARG 430 -10.087 -17.599 -11.482 106 HA ARG 430 HA ARG 430 -11.594 -18.165 -13.958 107 HB2 ARG 430 HB2 ARG 430 -9.415 -19.659 -12.744 108 HB3 ARG 430 HB1 ARG 430 -10.867 -20.637 -12.903 109 HG2 ARG 430 HG2 ARG 430 -10.954 -19.958 -15.310 110 HG3 ARG 430 HG1 ARG 430 -9.366 -19.218 -15.087 111 HD2 ARG 430 HD2 ARG 430 -8.424 -21.350 -14.453 112 HD3 ARG 430 HD1 ARG 430 -10.010 -22.113 -14.539 113 HE ARG 430 HE ARG 430 -8.895 -20.879 -16.955 114 HH11 ARG 430 HH11 ARG 430 -9.785 -23.761 -15.181 115 HH12 ARG 430 HH12 ARG 430 -9.735 -24.795 -16.580 116 HH21 ARG 430 HH21 ARG 430 -8.820 -22.208 -18.786 117 HH22 ARG 430 HH22 ARG 430 -9.199 -23.903 -18.651 118 H HIS 431 HN HIS 431 -13.316 -19.792 -13.667 119 HA HIS 431 HA HIS 431 -14.573 -19.417 -11.046 120 HB2 HIS 431 HB2 HIS 431 -15.710 -20.248 -13.721 121 HB3 HIS 431 HB1 HIS 431 -16.643 -20.230 -12.229 122 HD1 HIS 431 HD1 HIS 431 -16.083 -18.212 -15.082 123 HD2 HIS 431 HD2 HIS 431 -16.393 -17.439 -11.003 124 HE1 HIS 431 HE1 HIS 431 -16.620 -15.758 -14.893 125 HE2 HIS 431 HE2 HIS 431 -16.737 -15.290 -12.415 126 H ALA 432 HN ALA 432 -14.472 -21.003 -9.621 127 HA ALA 432 HA ALA 432 -13.457 -23.588 -10.352 128 HB1 ALA 432 HB1 ALA 432 -13.648 -24.114 -7.972 129 HB2 ALA 432 HB2 ALA 432 -14.547 -22.620 -7.707 130 HB3 ALA 432 HB3 ALA 432 -12.861 -22.554 -8.214 131 HA PRO 433 HA PRO 433 -17.159 -25.859 -11.094 132 HB2 PRO 433 HB2 PRO 433 -16.709 -28.111 -9.538 133 HB3 PRO 433 HB1 PRO 433 -16.086 -27.869 -11.172 134 HG2 PRO 433 HG2 PRO 433 -14.728 -27.466 -8.544 135 HG3 PRO 433 HG1 PRO 433 -14.079 -28.129 -10.057 136 HD2 PRO 433 HD2 PRO 433 -13.524 -25.626 -9.281 137 HD3 PRO 433 HD1 PRO 433 -13.772 -26.029 -10.993 138 H ASN 434 HN ASN 434 -16.160 -25.133 -7.848 139 HA ASN 434 HA ASN 434 -18.503 -25.964 -6.490 140 HB2 ASN 434 HB2 ASN 434 -16.670 -23.719 -5.643 141 HB3 ASN 434 HB1 ASN 434 -17.666 -24.743 -4.617 142 HD21 ASN 434 HD21 ASN 434 -14.810 -24.175 -4.561 143 HD22 ASN 434 HD22 ASN 434 -14.009 -25.710 -4.668 144 H GLY 435 HN GLY 435 -17.847 -23.353 -8.584 145 HA2 GLY 435 HA2 GLY 435 -19.564 -21.975 -9.456 146 HA3 GLY 435 HA1 GLY 435 -20.479 -22.217 -7.974 147 H ARG 436 HN ARG 436 -17.148 -21.504 -7.575 148 HA ARG 436 HA ARG 436 -17.714 -18.653 -7.202 149 HB2 ARG 436 HB2 ARG 436 -17.832 -20.094 -5.041 150 HB3 ARG 436 HB1 ARG 436 -16.083 -20.186 -5.190 151 HG2 ARG 436 HG2 ARG 436 -17.234 -17.481 -5.345 152 HG3 ARG 436 HG1 ARG 436 -17.381 -18.296 -3.791 153 HD2 ARG 436 HD2 ARG 436 -14.767 -18.167 -5.258 154 HD3 ARG 436 HD1 ARG 436 -15.298 -16.859 -4.199 155 HE ARG 436 HE ARG 436 -15.324 -19.526 -3.045 156 HH11 ARG 436 HH11 ARG 436 -13.559 -16.534 -3.470 157 HH12 ARG 436 HH12 ARG 436 -12.592 -16.756 -2.046 158 HH21 ARG 436 HH21 ARG 436 -14.035 -19.826 -1.185 159 HH22 ARG 436 HH22 ARG 436 -12.858 -18.630 -0.758 160 HA PRO 437 HA PRO 437 -13.960 -18.368 -9.525 161 HB2 PRO 437 HB2 PRO 437 -13.364 -15.762 -9.088 162 HB3 PRO 437 HB1 PRO 437 -14.658 -16.284 -10.164 163 HG2 PRO 437 HG2 PRO 437 -14.816 -15.306 -7.346 164 HG3 PRO 437 HG1 PRO 437 -15.875 -14.937 -8.719 165 HD2 PRO 437 HD2 PRO 437 -16.524 -16.734 -6.792 166 HD3 PRO 437 HD1 PRO 437 -17.083 -16.879 -8.469 167 H PHE 438 HN PHE 438 -11.799 -18.406 -9.319 168 HA PHE 438 HA PHE 438 -10.573 -17.590 -6.790 169 HB2 PHE 438 HB2 PHE 438 -9.152 -19.567 -6.731 170 HB3 PHE 438 HB1 PHE 438 -10.835 -20.059 -6.716 171 HD1 PHE 438 HD1 PHE 438 -7.738 -19.989 -8.656 172 HD2 PHE 438 HD2 PHE 438 -11.794 -21.271 -8.571 173 HE1 PHE 438 HE1 PHE 438 -7.299 -21.488 -10.553 174 HE2 PHE 438 HE2 PHE 438 -11.355 -22.771 -10.471 175 HZ PHE 438 HZ PHE 438 -9.110 -22.882 -11.466 176 H PHE 439 HN PHE 439 -8.223 -17.186 -7.059 177 HA PHE 439 HA PHE 439 -7.840 -15.978 -9.694 178 HB2 PHE 439 HB2 PHE 439 -6.449 -15.360 -7.084 179 HB3 PHE 439 HB1 PHE 439 -6.252 -14.478 -8.597 180 HD1 PHE 439 HD2 PHE 439 -8.216 -13.257 -9.558 181 HD2 PHE 439 HD1 PHE 439 -8.237 -14.896 -5.632 182 HE1 PHE 439 HE2 PHE 439 -10.128 -11.822 -8.973 183 HE2 PHE 439 HE1 PHE 439 -10.146 -13.465 -5.041 184 HZ PHE 439 HZ PHE 439 -11.093 -11.923 -6.710 185 H ILE 440 HN ILE 440 -6.059 -16.249 -10.905 186 HA ILE 440 HA ILE 440 -4.190 -18.391 -10.107 187 HB ILE 440 HB ILE 440 -5.078 -17.807 -12.933 188 HG12 ILE 440 HG12 ILE 440 -6.003 -20.060 -11.143 189 HG13 ILE 440 HG11 ILE 440 -6.969 -18.646 -11.551 190 HG21 ILE 440 HG21 ILE 440 -3.567 -20.121 -11.729 191 HG22 ILE 440 HG22 ILE 440 -2.885 -18.839 -12.730 192 HG23 ILE 440 HG23 ILE 440 -4.043 -19.976 -13.421 193 HD11 ILE 440 HD11 ILE 440 -6.884 -19.282 -13.909 194 HD12 ILE 440 HD12 ILE 440 -7.597 -20.548 -12.908 195 HD13 ILE 440 HD13 ILE 440 -5.937 -20.707 -13.483 196 H ASP 441 HN ASP 441 -2.208 -17.527 -9.837 197 HA ASP 441 HA ASP 441 -1.532 -15.046 -11.155 198 HB2 ASP 441 HB2 ASP 441 -0.860 -15.215 -8.874 199 HB3 ASP 441 HB1 ASP 441 -0.093 -16.777 -9.148 200 H HIS 442 HN HIS 442 -0.962 -15.179 -13.223 201 HA HIS 442 HA HIS 442 0.218 -17.337 -14.548 202 HB2 HIS 442 HB2 HIS 442 0.227 -14.380 -15.142 203 HB3 HIS 442 HB1 HIS 442 0.951 -15.561 -16.222 204 HD1 HIS 442 HD1 HIS 442 -0.581 -16.743 -17.827 205 HD2 HIS 442 HD2 HIS 442 -2.644 -14.594 -14.921 206 HE1 HIS 442 HE1 HIS 442 -2.987 -16.755 -18.551 207 HE2 HIS 442 HE2 HIS 442 -4.164 -15.240 -16.921 208 H ASN 443 HN ASN 443 1.652 -14.946 -12.488 209 HA ASN 443 HA ASN 443 4.254 -14.920 -13.566 210 HB2 ASN 443 HB2 ASN 443 3.326 -14.373 -10.744 211 HB3 ASN 443 HB1 ASN 443 4.979 -14.120 -11.294 212 HD21 ASN 443 HD21 ASN 443 1.763 -12.916 -11.248 213 HD22 ASN 443 HD22 ASN 443 2.079 -11.434 -12.102 214 H THR 444 HN THR 444 3.059 -16.755 -10.716 215 HA THR 444 HA THR 444 5.382 -18.532 -11.128 216 HB THR 444 HB THR 444 5.341 -17.410 -8.944 217 HG1 THR 444 HG1 THR 444 5.306 -20.150 -9.275 218 HG21 THR 444 HG21 THR 444 2.933 -17.172 -8.659 219 HG22 THR 444 HG22 THR 444 3.647 -18.002 -7.274 220 HG23 THR 444 HG23 THR 444 2.766 -18.921 -8.498 221 H LYS 445 HN LYS 445 2.284 -18.468 -11.983 222 HA LYS 445 HA LYS 445 0.833 -20.026 -12.771 223 HB2 LYS 445 HB2 LYS 445 3.291 -21.680 -12.415 224 HB3 LYS 445 HB1 LYS 445 1.768 -22.499 -12.727 225 HG2 LYS 445 HG2 LYS 445 2.948 -22.172 -14.788 226 HG3 LYS 445 HG1 LYS 445 1.501 -21.162 -14.776 227 HD2 LYS 445 HD2 LYS 445 2.922 -19.244 -14.073 228 HD3 LYS 445 HD1 LYS 445 4.341 -20.279 -14.267 229 HE2 LYS 445 HE2 LYS 445 3.783 -20.612 -16.614 230 HE3 LYS 445 HE1 LYS 445 2.342 -19.618 -16.417 231 HZ1 LYS 445 HZ1 LYS 445 5.064 -18.576 -15.879 232 HZ2 LYS 445 HZ2 LYS 445 3.632 -17.702 -16.113 233 HZ3 LYS 445 HZ3 LYS 445 4.358 -18.507 -17.419 234 H THR 446 HN THR 446 0.814 -19.303 -9.987 235 HA THR 446 HA THR 446 -0.106 -21.800 -8.727 236 HB THR 446 HB THR 446 1.655 -20.342 -7.566 237 HG1 THR 446 HG1 THR 446 0.321 -21.982 -6.531 238 HG21 THR 446 HG21 THR 446 0.607 -18.163 -7.953 239 HG22 THR 446 HG22 THR 446 0.786 -18.475 -6.227 240 HG23 THR 446 HG23 THR 446 -0.791 -18.657 -6.998 241 H THR 447 HN THR 447 -2.023 -21.654 -7.343 242 HA THR 447 HA THR 447 -3.984 -19.698 -8.333 243 HB THR 447 HB THR 447 -5.688 -21.560 -7.824 244 HG1 THR 447 HG1 THR 447 -4.393 -23.671 -8.360 245 HG21 THR 447 HG21 THR 447 -3.752 -21.890 -10.117 246 HG22 THR 447 HG22 THR 447 -5.162 -20.831 -10.088 247 HG23 THR 447 HG23 THR 447 -5.372 -22.582 -10.039 248 H THR 448 HN THR 448 -5.348 -18.772 -6.809 249 HA THR 448 HA THR 448 -5.182 -19.705 -4.051 250 HB THR 448 HB THR 448 -3.306 -18.108 -4.263 251 HG1 THR 448 HG1 THR 448 -3.811 -17.728 -2.257 252 HG21 THR 448 HG21 THR 448 -3.774 -15.717 -4.586 253 HG22 THR 448 HG22 THR 448 -5.464 -16.099 -4.922 254 HG23 THR 448 HG23 THR 448 -4.198 -16.664 -6.012 255 H TRP 449 HN TRP 449 -6.692 -18.533 -2.629 256 HA TRP 449 HA TRP 449 -9.114 -17.812 -4.118 257 HB2 TRP 449 HB2 TRP 449 -8.796 -18.754 -1.261 258 HB3 TRP 449 HB1 TRP 449 -10.328 -18.366 -2.036 259 HD1 TRP 449 HD1 TRP 449 -7.652 -21.074 -1.872 260 HE1 TRP 449 HE1 TRP 449 -8.536 -23.189 -3.046 261 HE3 TRP 449 HE3 TRP 449 -11.929 -19.148 -3.905 262 HZ2 TRP 449 HZ2 TRP 449 -10.753 -23.941 -4.620 263 HZ3 TRP 449 HZ3 TRP 449 -13.378 -20.632 -5.231 264 HH2 TRP 449 HH2 TRP 449 -12.800 -22.978 -5.582 265 H GLU 450 HN GLU 450 -6.604 -16.447 -2.428 266 HA GLU 450 HA GLU 450 -8.065 -14.417 -1.004 267 HB2 GLU 450 HB2 GLU 450 -5.823 -15.313 -0.305 268 HB3 GLU 450 HB1 GLU 450 -5.119 -14.482 -1.685 269 HG2 GLU 450 HG2 GLU 450 -4.822 -13.207 0.358 270 HG3 GLU 450 HG1 GLU 450 -5.850 -12.341 -0.784 271 H ASP 451 HN ASP 451 -8.190 -12.220 -1.524 272 HA ASP 451 HA ASP 451 -8.209 -11.718 -4.398 273 HB2 ASP 451 HB2 ASP 451 -10.218 -11.071 -3.203 274 HB3 ASP 451 HB1 ASP 451 -9.277 -10.087 -2.083 275 HA PRO 452 HA PRO 452 -4.389 -9.487 -3.922 276 HB2 PRO 452 HB2 PRO 452 -3.821 -9.213 -6.515 277 HB3 PRO 452 HB1 PRO 452 -3.771 -10.795 -5.726 278 HG2 PRO 452 HG2 PRO 452 -5.851 -9.643 -7.531 279 HG3 PRO 452 HG1 PRO 452 -5.269 -11.312 -7.409 280 HD2 PRO 452 HD2 PRO 452 -7.605 -10.295 -6.243 281 HD3 PRO 452 HD1 PRO 452 -6.813 -11.826 -5.824 282 H ARG 453 HN ARG 453 -7.338 -8.165 -4.947 283 HA ARG 453 HA ARG 453 -6.235 -5.657 -5.846 284 HB2 ARG 453 HB2 ARG 453 -9.050 -6.623 -5.369 285 HB3 ARG 453 HB1 ARG 453 -8.653 -5.019 -5.973 286 HG2 ARG 453 HG2 ARG 453 -7.802 -5.871 -7.987 287 HG3 ARG 453 HG1 ARG 453 -7.730 -7.518 -7.353 288 HD2 ARG 453 HD2 ARG 453 -9.646 -6.923 -8.959 289 HD3 ARG 453 HD1 ARG 453 -10.044 -7.795 -7.479 290 HE ARG 453 HE ARG 453 -11.187 -5.957 -6.715 291 HH11 ARG 453 HH11 ARG 453 -9.370 -5.063 -9.577 292 HH12 ARG 453 HH12 ARG 453 -10.168 -3.526 -9.746 293 HH21 ARG 453 HH21 ARG 453 -12.224 -3.965 -6.938 294 HH22 ARG 453 HH22 ARG 453 -11.795 -2.900 -8.242 295 H LEU 454 HN LEU 454 -8.078 -6.821 -3.011 296 HA LEU 454 HA LEU 454 -8.013 -4.177 -1.845 297 HB2 LEU 454 HB2 LEU 454 -9.111 -5.270 0.114 298 HB3 LEU 454 HB1 LEU 454 -9.979 -5.394 -1.399 299 HG LEU 454 HG LEU 454 -8.948 -7.745 -1.586 300 HD11 LEU 454 HD11 LEU 454 -8.559 -7.270 1.365 301 HD12 LEU 454 HD12 LEU 454 -7.276 -7.506 0.178 302 HD13 LEU 454 HD13 LEU 454 -8.404 -8.817 0.532 303 HD21 LEU 454 HD21 LEU 454 -11.299 -7.322 -1.166 304 HD22 LEU 454 HD22 LEU 454 -10.971 -7.114 0.555 305 HD23 LEU 454 HD23 LEU 454 -10.732 -8.689 -0.205 306 H LYS 455 HN LYS 455 -5.837 -6.691 -1.988 307 HA LYS 455 HA LYS 455 -4.191 -5.410 0.037 308 HB2 LYS 455 HB2 LYS 455 -3.581 -7.545 1.103 309 HB3 LYS 455 HB1 LYS 455 -5.286 -7.177 1.312 310 HG2 LYS 455 HG2 LYS 455 -5.780 -8.715 -0.579 311 HG3 LYS 455 HG1 LYS 455 -4.076 -9.162 -0.596 312 HD2 LYS 455 HD2 LYS 455 -5.864 -9.439 1.815 313 HD3 LYS 455 HD1 LYS 455 -5.580 -10.733 0.650 314 HE2 LYS 455 HE2 LYS 455 -4.033 -11.222 2.285 315 HE3 LYS 455 HE1 LYS 455 -3.073 -10.281 1.150 316 HZ1 LYS 455 HZ1 LYS 455 -2.611 -9.544 3.353 317 HZ2 LYS 455 HZ2 LYS 455 -4.256 -9.338 3.707 318 HZ3 LYS 455 HZ3 LYS 455 -3.495 -8.318 2.587 319 H ILE 456 HN ILE 456 -1.925 -5.910 -0.202 320 HA ILE 456 HA ILE 456 -1.214 -6.132 -2.949 321 HB ILE 456 HB ILE 456 1.146 -6.036 -2.118 322 HG12 ILE 456 HG12 ILE 456 -0.189 -5.787 0.590 323 HG13 ILE 456 HG11 ILE 456 0.757 -7.169 0.049 324 HG21 ILE 456 HG21 ILE 456 -0.747 -3.940 -1.061 325 HG22 ILE 456 HG22 ILE 456 -0.087 -4.021 -2.694 326 HG23 ILE 456 HG23 ILE 456 0.982 -3.720 -1.324 327 HD11 ILE 456 HD11 ILE 456 2.047 -5.728 1.521 328 HD12 ILE 456 HD12 ILE 456 1.786 -4.366 0.432 329 HD13 ILE 456 HD13 ILE 456 2.739 -5.750 -0.103 330 HA PRO 457 HA PRO 457 -0.694 -10.525 -3.102 331 HB2 PRO 457 HB2 PRO 457 0.652 -10.219 -5.639 332 HB3 PRO 457 HB1 PRO 457 -0.993 -10.771 -5.327 333 HG2 PRO 457 HG2 PRO 457 -0.390 -8.407 -6.563 334 HG3 PRO 457 HG1 PRO 457 -1.887 -8.696 -5.658 335 HD2 PRO 457 HD2 PRO 457 0.604 -7.271 -4.800 336 HD3 PRO 457 HD1 PRO 457 -1.097 -6.853 -4.496 337 H ALA 458 HN ALA 458 1.103 -12.103 -3.779 338 HA ALA 458 HA ALA 458 3.567 -11.272 -2.460 339 HB1 ALA 458 HB1 ALA 458 2.498 -13.355 -1.753 340 HB2 ALA 458 HB2 ALA 458 4.111 -13.645 -2.409 341 HB3 ALA 458 HB3 ALA 458 2.684 -14.003 -3.382 342 H1 THR 638 HN THR 638 -16.890 -28.552 -2.044 343 HA THR 638 HA THR 638 -15.147 -27.014 -1.702 344 HB THR 638 HB THR 638 -13.990 -28.922 0.343 345 HG1 THR 638 HG1 THR 638 -16.177 -27.479 0.597 346 HG21 THR 638 HG21 THR 638 -12.401 -27.336 -0.647 347 HG22 THR 638 HG22 THR 638 -12.707 -26.952 1.047 348 HG23 THR 638 HG23 THR 638 -13.468 -25.997 -0.227 349 H ALA 639 HN ALA 639 -14.631 -27.586 -3.823 350 HA ALA 639 HA ALA 639 -12.693 -29.766 -4.159 351 HB1 ALA 639 HB1 ALA 639 -13.085 -29.521 -6.561 352 HB2 ALA 639 HB2 ALA 639 -14.162 -28.160 -6.254 353 HB3 ALA 639 HB3 ALA 639 -14.600 -29.775 -5.698 354 HA PRO 640 HA PRO 640 -9.560 -26.587 -4.039 355 HB2 PRO 640 HB2 PRO 640 -7.715 -28.766 -4.703 356 HB3 PRO 640 HB1 PRO 640 -7.800 -27.782 -3.241 357 HG2 PRO 640 HG2 PRO 640 -8.488 -30.385 -3.253 358 HG3 PRO 640 HG1 PRO 640 -9.294 -29.196 -2.212 359 HD2 PRO 640 HD2 PRO 640 -10.211 -30.365 -4.816 360 HD3 PRO 640 HD1 PRO 640 -11.137 -30.062 -3.329 361 HA PRO 641 HA PRO 641 -8.917 -25.950 -8.385 362 HB2 PRO 641 HB2 PRO 641 -7.462 -23.713 -8.284 363 HB3 PRO 641 HB1 PRO 641 -9.152 -23.725 -7.775 364 HG2 PRO 641 HG2 PRO 641 -6.676 -23.787 -6.103 365 HG3 PRO 641 HG1 PRO 641 -8.183 -22.886 -5.847 366 HD2 PRO 641 HD2 PRO 641 -7.547 -25.280 -4.611 367 HD3 PRO 641 HD1 PRO 641 -9.195 -24.656 -4.819 368 HA PRO 642 HA PRO 642 -4.957 -27.882 -9.078 369 HB2 PRO 642 HB2 PRO 642 -5.375 -27.569 -11.917 370 HB3 PRO 642 HB1 PRO 642 -5.518 -29.032 -10.943 371 HG2 PRO 642 HG2 PRO 642 -7.638 -27.771 -12.144 372 HG3 PRO 642 HG1 PRO 642 -7.778 -28.806 -10.712 373 HD2 PRO 642 HD2 PRO 642 -7.728 -25.821 -10.902 374 HD3 PRO 642 HD1 PRO 642 -8.692 -26.873 -9.841 375 H ALA 643 HN ALA 643 -2.986 -27.481 -10.486 376 HA ALA 643 HA ALA 643 -2.154 -24.761 -10.266 377 HB1 ALA 643 HB1 ALA 643 -0.076 -25.524 -11.298 378 HB2 ALA 643 HB2 ALA 643 -0.841 -27.054 -11.726 379 HB3 ALA 643 HB3 ALA 643 -0.593 -26.637 -10.032 380 H TYR 644 HN TYR 644 -1.339 -23.465 -12.097 381 HA TYR 644 HA TYR 644 -3.365 -23.020 -13.972 382 HB2 TYR 644 HB2 TYR 644 -1.893 -21.226 -13.317 383 HB3 TYR 644 HB1 TYR 644 -0.495 -22.076 -13.967 384 HD1 TYR 644 HD2 TYR 644 -3.816 -20.770 -15.093 385 HD2 TYR 644 HD1 TYR 644 0.267 -21.473 -16.066 386 HE1 TYR 644 HE2 TYR 644 -4.144 -19.648 -17.257 387 HE2 TYR 644 HE1 TYR 644 -0.051 -20.354 -18.230 388 HH TYR 644 HH TYR 644 -2.015 -19.906 -19.806 389 H ALA 645 HN ALA 645 -0.248 -24.649 -14.355 390 HA ALA 645 HA ALA 645 -0.586 -25.120 -17.155 391 HB1 ALA 645 HB1 ALA 645 1.632 -25.020 -16.122 392 HB2 ALA 645 HB2 ALA 645 1.376 -26.558 -16.949 393 HB3 ALA 645 HB3 ALA 645 1.265 -26.470 -15.191 394 H THR 646 HN THR 646 -1.819 -26.517 -14.362 395 HA THR 646 HA THR 646 -2.260 -29.165 -15.444 396 HB THR 646 HB THR 646 -3.172 -27.873 -12.864 397 HG1 THR 646 HG1 THR 646 -0.854 -29.259 -13.646 398 HG21 THR 646 HG21 THR 646 -3.168 -30.772 -13.695 399 HG22 THR 646 HG22 THR 646 -4.591 -29.754 -13.468 400 HG23 THR 646 HG23 THR 646 -3.569 -30.162 -12.090 401 H LEU 647 HN LEU 647 -4.092 -26.240 -14.678 402 HA LEU 647 HA LEU 647 -6.601 -27.450 -15.448 403 HB2 LEU 647 HB2 LEU 647 -7.559 -25.234 -14.896 404 HB3 LEU 647 HB1 LEU 647 -6.656 -25.967 -13.588 405 HG LEU 647 HG LEU 647 -4.705 -24.465 -14.383 406 HD11 LEU 647 HD11 LEU 647 -5.694 -23.702 -16.469 407 HD12 LEU 647 HD12 LEU 647 -5.404 -22.346 -15.380 408 HD13 LEU 647 HD13 LEU 647 -7.037 -22.980 -15.583 409 HD21 LEU 647 HD21 LEU 647 -5.834 -24.228 -12.254 410 HD22 LEU 647 HD22 LEU 647 -7.141 -23.326 -13.025 411 HD23 LEU 647 HD23 LEU 647 -5.515 -22.645 -12.961 412 H GLY 648 HN GLY 648 -4.094 -25.778 -17.011 413 HA2 GLY 648 HA2 GLY 648 -5.876 -24.967 -19.206 414 HA3 GLY 648 HA1 GLY 648 -4.241 -24.375 -18.954 Start of MODEL 3 1 H1 GLY 416 HT1 GLY 416 -16.824 3.482 -4.724 2 H2 GLY 416 HT2 GLY 416 -15.207 3.256 -4.262 3 H3 GLY 416 HT3 GLY 416 -16.305 1.973 -4.146 4 HA2 GLY 416 HA1 GLY 416 -16.584 2.020 -6.576 5 HA3 GLY 416 HA2 GLY 416 -15.333 3.255 -6.638 6 H SER 417 HN SER 417 -13.322 2.586 -6.935 7 HA SER 417 HA SER 417 -12.782 -0.281 -6.606 8 HB2 SER 417 HB2 SER 417 -11.304 1.813 -8.216 9 HB3 SER 417 HB1 SER 417 -10.909 0.094 -8.163 10 HG SER 417 HG SER 417 -12.389 1.077 -9.911 11 H MET 418 HN MET 418 -11.340 -1.011 -5.187 12 HA MET 418 HA MET 418 -10.239 0.664 -3.190 13 HB2 MET 418 HB2 MET 418 -10.754 -1.806 -2.976 14 HB3 MET 418 HB1 MET 418 -9.305 -2.121 -3.922 15 HG2 MET 418 HG2 MET 418 -8.767 -2.402 -1.623 16 HG3 MET 418 HG1 MET 418 -7.991 -0.921 -2.183 17 HE1 MET 418 HE1 MET 418 -11.824 -1.014 0.393 18 HE2 MET 418 HE2 MET 418 -10.942 -2.456 -0.111 19 HE3 MET 418 HE3 MET 418 -11.793 -1.480 -1.308 20 H GLU 419 HN GLU 419 -9.086 -0.573 -6.217 21 HA GLU 419 HA GLU 419 -6.814 1.253 -6.110 22 HB2 GLU 419 HB2 GLU 419 -5.962 -0.995 -5.476 23 HB3 GLU 419 HB1 GLU 419 -6.595 -1.640 -6.984 24 HG2 GLU 419 HG2 GLU 419 -4.185 -1.222 -7.075 25 HG3 GLU 419 HG1 GLU 419 -5.078 -0.267 -8.256 26 H GLN 420 HN GLN 420 -6.383 2.193 -8.106 27 HA GLN 420 HA GLN 420 -8.511 2.030 -10.012 28 HB2 GLN 420 HB2 GLN 420 -7.139 3.688 -11.298 29 HB3 GLN 420 HB1 GLN 420 -7.546 4.181 -9.660 30 HG2 GLN 420 HG2 GLN 420 -5.358 3.795 -8.891 31 HG3 GLN 420 HG1 GLN 420 -4.926 2.892 -10.342 32 HE21 GLN 420 HE21 GLN 420 -3.146 4.220 -10.685 33 HE22 GLN 420 HE22 GLN 420 -3.308 5.829 -11.306 34 H GLY 421 HN GLY 421 -8.603 1.021 -11.910 35 HA2 GLY 421 HA2 GLY 421 -7.512 0.217 -13.916 36 HA3 GLY 421 HA1 GLY 421 -6.165 -0.293 -12.905 37 H PHE 422 HN PHE 422 -6.084 -2.427 -13.080 38 HA PHE 422 HA PHE 422 -8.529 -3.953 -12.477 39 HB2 PHE 422 HB2 PHE 422 -6.417 -4.703 -14.520 40 HB3 PHE 422 HB1 PHE 422 -7.836 -5.657 -14.107 41 HD1 PHE 422 HD1 PHE 422 -10.093 -4.838 -14.737 42 HD2 PHE 422 HD2 PHE 422 -6.534 -2.897 -16.035 43 HE1 PHE 422 HE1 PHE 422 -11.367 -3.682 -16.494 44 HE2 PHE 422 HE2 PHE 422 -7.804 -1.735 -17.793 45 HZ PHE 422 HZ PHE 422 -10.224 -2.128 -18.023 46 H LEU 423 HN LEU 423 -7.258 -6.462 -12.610 47 HA LEU 423 HA LEU 423 -6.036 -6.628 -10.056 48 HB2 LEU 423 HB2 LEU 423 -6.219 -8.632 -12.316 49 HB3 LEU 423 HB1 LEU 423 -5.556 -9.006 -10.739 50 HG LEU 423 HG LEU 423 -7.747 -9.874 -10.759 51 HD11 LEU 423 HD11 LEU 423 -7.161 -8.744 -8.697 52 HD12 LEU 423 HD12 LEU 423 -8.891 -8.612 -9.017 53 HD13 LEU 423 HD13 LEU 423 -7.830 -7.235 -9.318 54 HD21 LEU 423 HD21 LEU 423 -8.702 -7.194 -11.753 55 HD22 LEU 423 HD22 LEU 423 -9.734 -8.559 -11.323 56 HD23 LEU 423 HD23 LEU 423 -8.623 -8.686 -12.688 57 HA PRO 424 HA PRO 424 -1.719 -5.961 -10.867 58 HB2 PRO 424 HB2 PRO 424 -1.191 -8.690 -9.782 59 HB3 PRO 424 HB1 PRO 424 -0.482 -7.139 -9.314 60 HG2 PRO 424 HG2 PRO 424 -2.305 -8.320 -7.774 61 HG3 PRO 424 HG1 PRO 424 -2.297 -6.559 -7.991 62 HD2 PRO 424 HD2 PRO 424 -4.103 -8.610 -9.196 63 HD3 PRO 424 HD1 PRO 424 -4.470 -6.958 -8.657 64 H LYS 425 HN LYS 425 -0.223 -6.412 -12.471 65 HA LYS 425 HA LYS 425 -1.196 -7.734 -14.732 66 HB2 LYS 425 HB2 LYS 425 1.667 -6.995 -14.100 67 HB3 LYS 425 HB1 LYS 425 1.037 -7.390 -15.697 68 HG2 LYS 425 HG2 LYS 425 0.238 -5.034 -13.996 69 HG3 LYS 425 HG1 LYS 425 1.254 -4.992 -15.438 70 HD2 LYS 425 HD2 LYS 425 -0.604 -5.744 -16.806 71 HD3 LYS 425 HD1 LYS 425 -1.621 -5.908 -15.374 72 HE2 LYS 425 HE2 LYS 425 -2.136 -3.847 -16.566 73 HE3 LYS 425 HE1 LYS 425 -1.454 -3.497 -14.979 74 HZ1 LYS 425 HZ1 LYS 425 -0.549 -2.095 -16.777 75 HZ2 LYS 425 HZ2 LYS 425 0.106 -3.481 -17.506 76 HZ3 LYS 425 HZ3 LYS 425 0.645 -2.995 -15.975 77 H GLY 426 HN GLY 426 -1.634 -9.808 -14.749 78 HA2 GLY 426 HA2 GLY 426 -0.445 -11.901 -15.419 79 HA3 GLY 426 HA1 GLY 426 0.497 -11.686 -13.951 80 H TRP 427 HN TRP 427 -2.407 -10.618 -13.055 81 HA TRP 427 HA TRP 427 -3.161 -13.234 -11.959 82 HB2 TRP 427 HB2 TRP 427 -3.880 -10.419 -11.102 83 HB3 TRP 427 HB1 TRP 427 -4.540 -11.870 -10.362 84 HD1 TRP 427 HD1 TRP 427 -0.965 -10.486 -11.053 85 HE1 TRP 427 HE1 TRP 427 0.482 -10.974 -8.980 86 HE3 TRP 427 HE3 TRP 427 -4.437 -12.936 -8.203 87 HZ2 TRP 427 HZ2 TRP 427 0.188 -12.234 -6.473 88 HZ3 TRP 427 HZ3 TRP 427 -3.768 -13.750 -5.978 89 HH2 TRP 427 HH2 TRP 427 -1.505 -13.403 -5.133 90 H GLU 428 HN GLU 428 -4.910 -14.248 -12.711 91 HA GLU 428 HA GLU 428 -6.960 -12.665 -14.119 92 HB2 GLU 428 HB2 GLU 428 -5.527 -13.837 -15.726 93 HB3 GLU 428 HB1 GLU 428 -5.815 -15.354 -14.895 94 HG2 GLU 428 HG2 GLU 428 -8.090 -15.383 -15.569 95 HG3 GLU 428 HG1 GLU 428 -7.988 -13.735 -16.188 96 H VAL 429 HN VAL 429 -9.132 -13.685 -14.082 97 HA VAL 429 HA VAL 429 -9.472 -15.234 -11.604 98 HB VAL 429 HB VAL 429 -11.547 -13.643 -13.127 99 HG11 VAL 429 HG11 VAL 429 -12.524 -15.430 -11.810 100 HG12 VAL 429 HG12 VAL 429 -12.875 -13.861 -11.082 101 HG13 VAL 429 HG13 VAL 429 -11.626 -14.893 -10.389 102 HG21 VAL 429 HG21 VAL 429 -9.824 -12.179 -12.226 103 HG22 VAL 429 HG22 VAL 429 -10.015 -12.919 -10.636 104 HG23 VAL 429 HG23 VAL 429 -11.337 -11.986 -11.340 105 H ARG 430 HN ARG 430 -10.397 -17.199 -11.596 106 HA ARG 430 HA ARG 430 -11.397 -18.239 -14.161 107 HB2 ARG 430 HB2 ARG 430 -9.151 -19.178 -13.092 108 HB3 ARG 430 HB1 ARG 430 -10.287 -20.153 -12.162 109 HG2 ARG 430 HG2 ARG 430 -11.285 -21.001 -14.206 110 HG3 ARG 430 HG1 ARG 430 -10.226 -19.978 -15.170 111 HD2 ARG 430 HD2 ARG 430 -8.507 -21.436 -13.530 112 HD3 ARG 430 HD1 ARG 430 -9.746 -22.588 -14.028 113 HE ARG 430 HE ARG 430 -8.109 -20.996 -15.906 114 HH11 ARG 430 HH11 ARG 430 -9.836 -23.948 -15.080 115 HH12 ARG 430 HH12 ARG 430 -9.430 -24.733 -16.583 116 HH21 ARG 430 HH21 ARG 430 -7.585 -22.025 -17.836 117 HH22 ARG 430 HH22 ARG 430 -8.140 -23.643 -18.141 118 H HIS 431 HN HIS 431 -12.079 -20.774 -12.603 119 HA HIS 431 HA HIS 431 -14.439 -19.961 -11.206 120 HB2 HIS 431 HB2 HIS 431 -14.602 -20.844 -14.063 121 HB3 HIS 431 HB1 HIS 431 -15.869 -21.344 -12.949 122 HD1 HIS 431 HD1 HIS 431 -15.017 -18.683 -15.210 123 HD2 HIS 431 HD2 HIS 431 -17.055 -18.959 -11.588 124 HE1 HIS 431 HE1 HIS 431 -16.401 -16.585 -15.037 125 HE2 HIS 431 HE2 HIS 431 -17.535 -16.719 -12.789 126 H ALA 432 HN ALA 432 -14.341 -21.377 -9.586 127 HA ALA 432 HA ALA 432 -13.369 -24.080 -10.075 128 HB1 ALA 432 HB1 ALA 432 -13.408 -24.323 -7.650 129 HB2 ALA 432 HB2 ALA 432 -14.201 -22.755 -7.497 130 HB3 ALA 432 HB3 ALA 432 -12.552 -22.853 -8.116 131 HA PRO 433 HA PRO 433 -17.224 -26.163 -10.467 132 HB2 PRO 433 HB2 PRO 433 -16.803 -28.211 -8.602 133 HB3 PRO 433 HB1 PRO 433 -16.368 -28.253 -10.311 134 HG2 PRO 433 HG2 PRO 433 -14.675 -27.633 -7.937 135 HG3 PRO 433 HG1 PRO 433 -14.251 -28.494 -9.429 136 HD2 PRO 433 HD2 PRO 433 -13.459 -25.977 -9.013 137 HD3 PRO 433 HD1 PRO 433 -13.965 -26.520 -10.628 138 H ASN 434 HN ASN 434 -16.086 -25.505 -7.172 139 HA ASN 434 HA ASN 434 -18.527 -25.885 -5.847 140 HB2 ASN 434 HB2 ASN 434 -16.405 -23.884 -5.057 141 HB3 ASN 434 HB1 ASN 434 -17.559 -24.690 -4.004 142 HD21 ASN 434 HD21 ASN 434 -14.546 -24.897 -5.634 143 HD22 ASN 434 HD22 ASN 434 -14.028 -26.409 -4.972 144 H GLY 435 HN GLY 435 -17.619 -23.457 -8.053 145 HA2 GLY 435 HA2 GLY 435 -19.128 -21.819 -8.878 146 HA3 GLY 435 HA1 GLY 435 -20.028 -21.922 -7.370 147 H ARG 436 HN ARG 436 -16.604 -21.706 -7.294 148 HA ARG 436 HA ARG 436 -16.785 -18.915 -6.393 149 HB2 ARG 436 HB2 ARG 436 -15.308 -21.259 -5.262 150 HB3 ARG 436 HB1 ARG 436 -14.643 -19.646 -5.054 151 HG2 ARG 436 HG2 ARG 436 -17.463 -20.315 -4.281 152 HG3 ARG 436 HG1 ARG 436 -16.098 -20.552 -3.187 153 HD2 ARG 436 HD2 ARG 436 -16.847 -17.940 -4.501 154 HD3 ARG 436 HD1 ARG 436 -17.229 -18.388 -2.837 155 HE ARG 436 HE ARG 436 -14.668 -18.624 -2.645 156 HH11 ARG 436 HH11 ARG 436 -16.333 -16.226 -4.606 157 HH12 ARG 436 HH12 ARG 436 -15.038 -15.068 -4.504 158 HH21 ARG 436 HH21 ARG 436 -12.985 -17.119 -2.513 159 HH22 ARG 436 HH22 ARG 436 -13.118 -15.580 -3.315 160 HA PRO 437 HA PRO 437 -13.853 -18.280 -9.727 161 HB2 PRO 437 HB2 PRO 437 -13.827 -15.512 -8.783 162 HB3 PRO 437 HB1 PRO 437 -14.392 -16.152 -10.326 163 HG2 PRO 437 HG2 PRO 437 -16.082 -15.163 -8.480 164 HG3 PRO 437 HG1 PRO 437 -16.530 -16.512 -9.542 165 HD2 PRO 437 HD2 PRO 437 -15.601 -16.575 -6.687 166 HD3 PRO 437 HD1 PRO 437 -16.927 -17.475 -7.460 167 H PHE 438 HN PHE 438 -11.895 -19.131 -9.122 168 HA PHE 438 HA PHE 438 -10.426 -17.807 -6.979 169 HB2 PHE 438 HB2 PHE 438 -8.827 -19.670 -7.129 170 HB3 PHE 438 HB1 PHE 438 -10.466 -20.245 -6.867 171 HD1 PHE 438 HD2 PHE 438 -11.629 -21.497 -8.593 172 HD2 PHE 438 HD1 PHE 438 -7.656 -20.099 -9.191 173 HE1 PHE 438 HE2 PHE 438 -11.383 -23.023 -10.509 174 HE2 PHE 438 HE1 PHE 438 -7.406 -21.621 -11.105 175 HZ PHE 438 HZ PHE 438 -9.270 -23.085 -11.766 176 H PHE 439 HN PHE 439 -8.201 -17.185 -7.308 177 HA PHE 439 HA PHE 439 -7.953 -15.870 -9.906 178 HB2 PHE 439 HB2 PHE 439 -6.497 -15.401 -7.296 179 HB3 PHE 439 HB1 PHE 439 -6.245 -14.471 -8.767 180 HD1 PHE 439 HD1 PHE 439 -8.781 -15.360 -6.215 181 HD2 PHE 439 HD2 PHE 439 -7.623 -12.660 -9.293 182 HE1 PHE 439 HE1 PHE 439 -10.608 -13.845 -5.566 183 HE2 PHE 439 HE2 PHE 439 -9.444 -11.141 -8.647 184 HZ PHE 439 HZ PHE 439 -10.938 -11.731 -6.782 185 H ILE 440 HN ILE 440 -6.317 -16.181 -11.275 186 HA ILE 440 HA ILE 440 -4.401 -18.328 -10.638 187 HB ILE 440 HB ILE 440 -5.124 -17.306 -13.384 188 HG12 ILE 440 HG12 ILE 440 -6.191 -19.797 -12.039 189 HG13 ILE 440 HG11 ILE 440 -7.107 -18.304 -12.246 190 HG21 ILE 440 HG21 ILE 440 -2.969 -18.416 -13.221 191 HG22 ILE 440 HG22 ILE 440 -4.107 -19.407 -14.136 192 HG23 ILE 440 HG23 ILE 440 -3.728 -19.815 -12.461 193 HD11 ILE 440 HD11 ILE 440 -7.681 -19.911 -13.956 194 HD12 ILE 440 HD12 ILE 440 -5.991 -20.017 -14.448 195 HD13 ILE 440 HD13 ILE 440 -6.882 -18.511 -14.667 196 H ASP 441 HN ASP 441 -2.437 -17.532 -10.133 197 HA ASP 441 HA ASP 441 -1.596 -15.009 -11.317 198 HB2 ASP 441 HB2 ASP 441 -1.066 -15.243 -8.966 199 HB3 ASP 441 HB1 ASP 441 -0.253 -16.781 -9.262 200 H HIS 442 HN HIS 442 -0.791 -15.079 -13.246 201 HA HIS 442 HA HIS 442 0.282 -17.507 -14.364 202 HB2 HIS 442 HB2 HIS 442 -0.031 -14.714 -15.492 203 HB3 HIS 442 HB1 HIS 442 0.636 -16.061 -16.405 204 HD1 HIS 442 HD1 HIS 442 -0.989 -17.547 -17.577 205 HD2 HIS 442 HD2 HIS 442 -2.843 -15.101 -14.772 206 HE1 HIS 442 HE1 HIS 442 -3.457 -17.889 -17.912 207 HE2 HIS 442 HE2 HIS 442 -4.554 -16.241 -16.361 208 H ASN 443 HN ASN 443 1.560 -15.098 -12.464 209 HA ASN 443 HA ASN 443 4.096 -14.786 -13.750 210 HB2 ASN 443 HB2 ASN 443 3.239 -14.082 -10.938 211 HB3 ASN 443 HB1 ASN 443 4.771 -13.617 -11.671 212 HD21 ASN 443 HD21 ASN 443 1.429 -12.937 -11.369 213 HD22 ASN 443 HD22 ASN 443 1.407 -11.530 -12.395 214 H THR 444 HN THR 444 3.180 -16.394 -10.669 215 HA THR 444 HA THR 444 5.710 -17.890 -10.869 216 HB THR 444 HB THR 444 5.258 -16.632 -8.749 217 HG1 THR 444 HG1 THR 444 6.665 -18.266 -8.431 218 HG21 THR 444 HG21 THR 444 2.844 -16.971 -8.610 219 HG22 THR 444 HG22 THR 444 3.644 -17.563 -7.154 220 HG23 THR 444 HG23 THR 444 3.090 -18.703 -8.381 221 H LYS 445 HN LYS 445 2.643 -18.243 -11.826 222 HA LYS 445 HA LYS 445 1.423 -19.988 -12.603 223 HB2 LYS 445 HB2 LYS 445 3.775 -21.745 -11.893 224 HB3 LYS 445 HB1 LYS 445 2.475 -22.124 -13.017 225 HG2 LYS 445 HG2 LYS 445 4.481 -19.912 -13.382 226 HG3 LYS 445 HG1 LYS 445 4.573 -21.504 -14.132 227 HD2 LYS 445 HD2 LYS 445 2.540 -21.097 -15.358 228 HD3 LYS 445 HD1 LYS 445 2.285 -19.572 -14.505 229 HE2 LYS 445 HE2 LYS 445 4.263 -18.631 -15.517 230 HE3 LYS 445 HE1 LYS 445 4.655 -20.179 -16.266 231 HZ1 LYS 445 HZ1 LYS 445 3.568 -18.470 -17.736 232 HZ2 LYS 445 HZ2 LYS 445 2.141 -18.722 -16.859 233 HZ3 LYS 445 HZ3 LYS 445 2.834 -19.999 -17.727 234 H THR 446 HN THR 446 0.326 -19.360 -10.489 235 HA THR 446 HA THR 446 -0.198 -21.827 -9.034 236 HB THR 446 HB THR 446 1.601 -20.579 -7.760 237 HG1 THR 446 HG1 THR 446 0.044 -22.057 -6.767 238 HG21 THR 446 HG21 THR 446 0.836 -18.297 -8.171 239 HG22 THR 446 HG22 THR 446 0.891 -18.627 -6.439 240 HG23 THR 446 HG23 THR 446 -0.656 -18.623 -7.288 241 H THR 447 HN THR 447 -2.153 -21.622 -7.653 242 HA THR 447 HA THR 447 -3.980 -19.546 -8.656 243 HB THR 447 HB THR 447 -5.805 -21.285 -8.134 244 HG1 THR 447 HG1 THR 447 -4.568 -23.475 -8.653 245 HG21 THR 447 HG21 THR 447 -5.184 -20.629 -10.409 246 HG22 THR 447 HG22 THR 447 -5.551 -22.353 -10.328 247 HG23 THR 447 HG23 THR 447 -3.874 -21.811 -10.400 248 H THR 448 HN THR 448 -5.367 -18.559 -7.150 249 HA THR 448 HA THR 448 -5.039 -19.351 -4.350 250 HB THR 448 HB THR 448 -3.316 -17.627 -4.822 251 HG1 THR 448 HG1 THR 448 -3.912 -17.559 -2.744 252 HG21 THR 448 HG21 THR 448 -5.687 -15.835 -5.352 253 HG22 THR 448 HG22 THR 448 -4.501 -16.361 -6.547 254 HG23 THR 448 HG23 THR 448 -4.008 -15.312 -5.219 255 H TRP 449 HN TRP 449 -6.599 -18.284 -2.903 256 HA TRP 449 HA TRP 449 -9.133 -17.793 -4.314 257 HB2 TRP 449 HB2 TRP 449 -8.598 -18.717 -1.488 258 HB3 TRP 449 HB1 TRP 449 -10.198 -18.398 -2.148 259 HD1 TRP 449 HD1 TRP 449 -7.444 -21.007 -2.108 260 HE1 TRP 449 HE1 TRP 449 -8.278 -23.130 -3.310 261 HE3 TRP 449 HE3 TRP 449 -11.778 -19.166 -4.091 262 HZ2 TRP 449 HZ2 TRP 449 -10.481 -23.912 -4.890 263 HZ3 TRP 449 HZ3 TRP 449 -13.189 -20.663 -5.440 264 HH2 TRP 449 HH2 TRP 449 -12.553 -22.985 -5.829 265 H GLU 450 HN GLU 450 -6.711 -16.112 -2.778 266 HA GLU 450 HA GLU 450 -8.470 -14.289 -1.334 267 HB2 GLU 450 HB2 GLU 450 -6.432 -13.247 -0.499 268 HB3 GLU 450 HB1 GLU 450 -6.388 -14.987 -0.247 269 HG2 GLU 450 HG2 GLU 450 -4.923 -15.229 -2.188 270 HG3 GLU 450 HG1 GLU 450 -4.979 -13.485 -2.445 271 H ASP 451 HN ASP 451 -8.309 -11.964 -1.643 272 HA ASP 451 HA ASP 451 -8.076 -11.313 -4.502 273 HB2 ASP 451 HB2 ASP 451 -10.222 -10.800 -3.308 274 HB3 ASP 451 HB1 ASP 451 -9.338 -9.659 -2.300 275 HA PRO 452 HA PRO 452 -4.414 -9.067 -3.404 276 HB2 PRO 452 HB2 PRO 452 -3.560 -8.548 -5.870 277 HB3 PRO 452 HB1 PRO 452 -3.604 -10.200 -5.241 278 HG2 PRO 452 HG2 PRO 452 -5.432 -8.859 -7.167 279 HG3 PRO 452 HG1 PRO 452 -4.907 -10.548 -7.102 280 HD2 PRO 452 HD2 PRO 452 -7.339 -9.497 -6.128 281 HD3 PRO 452 HD1 PRO 452 -6.691 -11.121 -5.827 282 H ARG 453 HN ARG 453 -7.097 -7.557 -5.153 283 HA ARG 453 HA ARG 453 -5.698 -5.000 -5.109 284 HB2 ARG 453 HB2 ARG 453 -8.290 -5.853 -6.376 285 HB3 ARG 453 HB1 ARG 453 -7.753 -4.180 -6.335 286 HG2 ARG 453 HG2 ARG 453 -6.203 -6.451 -7.568 287 HG3 ARG 453 HG1 ARG 453 -7.219 -5.316 -8.456 288 HD2 ARG 453 HD2 ARG 453 -4.876 -4.667 -8.608 289 HD3 ARG 453 HD1 ARG 453 -5.797 -3.463 -7.714 290 HE ARG 453 HE ARG 453 -4.698 -5.226 -5.853 291 HH11 ARG 453 HH11 ARG 453 -3.534 -2.919 -8.218 292 HH12 ARG 453 HH12 ARG 453 -2.129 -2.489 -7.292 293 HH21 ARG 453 HH21 ARG 453 -2.859 -4.657 -4.633 294 HH22 ARG 453 HH22 ARG 453 -1.754 -3.467 -5.251 295 H LEU 454 HN LEU 454 -8.053 -6.699 -3.277 296 HA LEU 454 HA LEU 454 -9.085 -4.336 -1.973 297 HB2 LEU 454 HB2 LEU 454 -9.226 -7.258 -1.219 298 HB3 LEU 454 HB1 LEU 454 -10.034 -5.975 -0.338 299 HG LEU 454 HG LEU 454 -10.575 -6.761 -3.201 300 HD11 LEU 454 HD11 LEU 454 -12.716 -7.540 -2.345 301 HD12 LEU 454 HD12 LEU 454 -12.232 -7.104 -0.708 302 HD13 LEU 454 HD13 LEU 454 -11.382 -8.389 -1.564 303 HD21 LEU 454 HD21 LEU 454 -10.886 -4.361 -2.839 304 HD22 LEU 454 HD22 LEU 454 -11.922 -4.699 -1.453 305 HD23 LEU 454 HD23 LEU 454 -12.433 -5.175 -3.072 306 H LYS 455 HN LYS 455 -6.167 -5.388 -2.099 307 HA LYS 455 HA LYS 455 -5.483 -4.764 0.693 308 HB2 LYS 455 HB2 LYS 455 -3.875 -6.709 -0.959 309 HB3 LYS 455 HB1 LYS 455 -3.820 -6.452 0.777 310 HG2 LYS 455 HG2 LYS 455 -6.086 -7.730 -0.744 311 HG3 LYS 455 HG1 LYS 455 -4.869 -8.575 0.210 312 HD2 LYS 455 HD2 LYS 455 -5.684 -7.632 2.234 313 HD3 LYS 455 HD1 LYS 455 -6.714 -6.494 1.363 314 HE2 LYS 455 HE2 LYS 455 -7.986 -8.422 0.457 315 HE3 LYS 455 HE1 LYS 455 -7.014 -9.492 1.463 316 HZ1 LYS 455 HZ1 LYS 455 -8.709 -7.286 2.510 317 HZ2 LYS 455 HZ2 LYS 455 -7.875 -8.450 3.423 318 HZ3 LYS 455 HZ3 LYS 455 -9.183 -8.913 2.447 319 H ILE 456 HN ILE 456 -3.514 -3.581 0.936 320 HA ILE 456 HA ILE 456 -2.440 -2.534 -1.587 321 HB ILE 456 HB ILE 456 -2.002 -0.381 -0.308 322 HG12 ILE 456 HG12 ILE 456 -4.124 -1.527 1.527 323 HG13 ILE 456 HG11 ILE 456 -2.432 -1.298 1.958 324 HG21 ILE 456 HG21 ILE 456 -3.682 -0.564 -2.052 325 HG22 ILE 456 HG22 ILE 456 -4.255 0.481 -0.751 326 HG23 ILE 456 HG23 ILE 456 -4.855 -1.173 -0.883 327 HD11 ILE 456 HD11 ILE 456 -4.395 0.869 1.249 328 HD12 ILE 456 HD12 ILE 456 -2.693 1.116 1.645 329 HD13 ILE 456 HD13 ILE 456 -3.798 0.479 2.863 330 HA PRO 457 HA PRO 457 1.241 -4.185 0.417 331 HB2 PRO 457 HB2 PRO 457 2.444 -3.991 -2.219 332 HB3 PRO 457 HB1 PRO 457 2.059 -5.438 -1.286 333 HG2 PRO 457 HG2 PRO 457 0.754 -4.751 -3.571 334 HG3 PRO 457 HG1 PRO 457 -0.008 -5.671 -2.259 335 HD2 PRO 457 HD2 PRO 457 -0.213 -2.747 -2.896 336 HD3 PRO 457 HD1 PRO 457 -1.489 -3.885 -2.403 337 H ALA 458 HN ALA 458 2.769 -3.009 1.372 338 HA ALA 458 HA ALA 458 3.926 -0.705 -0.022 339 HB1 ALA 458 HB1 ALA 458 2.110 0.187 1.365 340 HB2 ALA 458 HB2 ALA 458 3.686 0.719 1.946 341 HB3 ALA 458 HB3 ALA 458 2.825 -0.567 2.789 342 H1 THR 638 HN THR 638 -15.778 -30.062 -0.175 343 HA THR 638 HA THR 638 -15.253 -27.376 -1.207 344 HB THR 638 HB THR 638 -13.526 -28.645 0.933 345 HG1 THR 638 HG1 THR 638 -15.802 -27.627 1.367 346 HG21 THR 638 HG21 THR 638 -12.434 -26.454 1.003 347 HG22 THR 638 HG22 THR 638 -13.493 -25.875 -0.284 348 HG23 THR 638 HG23 THR 638 -12.324 -27.157 -0.612 349 H ALA 639 HN ALA 639 -14.692 -27.953 -3.229 350 HA ALA 639 HA ALA 639 -12.762 -30.135 -3.602 351 HB1 ALA 639 HB1 ALA 639 -14.428 -28.661 -5.642 352 HB2 ALA 639 HB2 ALA 639 -14.819 -30.229 -4.935 353 HB3 ALA 639 HB3 ALA 639 -13.392 -30.052 -5.956 354 HA PRO 640 HA PRO 640 -9.643 -26.926 -3.930 355 HB2 PRO 640 HB2 PRO 640 -7.605 -28.633 -4.591 356 HB3 PRO 640 HB1 PRO 640 -8.165 -28.368 -2.934 357 HG2 PRO 640 HG2 PRO 640 -8.836 -30.590 -4.826 358 HG3 PRO 640 HG1 PRO 640 -8.468 -30.671 -3.094 359 HD2 PRO 640 HD2 PRO 640 -10.993 -30.789 -4.014 360 HD3 PRO 640 HD1 PRO 640 -10.593 -29.984 -2.481 361 HA PRO 641 HA PRO 641 -9.590 -26.227 -8.300 362 HB2 PRO 641 HB2 PRO 641 -7.597 -24.403 -8.449 363 HB3 PRO 641 HB1 PRO 641 -9.181 -24.021 -7.763 364 HG2 PRO 641 HG2 PRO 641 -6.632 -24.717 -6.361 365 HG3 PRO 641 HG1 PRO 641 -7.812 -23.449 -5.975 366 HD2 PRO 641 HD2 PRO 641 -7.733 -25.829 -4.673 367 HD3 PRO 641 HD1 PRO 641 -9.236 -24.920 -4.925 368 HA PRO 642 HA PRO 642 -6.400 -28.813 -9.988 369 HB2 PRO 642 HB2 PRO 642 -6.435 -28.000 -12.571 370 HB3 PRO 642 HB1 PRO 642 -7.735 -28.965 -11.861 371 HG2 PRO 642 HG2 PRO 642 -7.614 -26.014 -12.338 372 HG3 PRO 642 HG1 PRO 642 -8.955 -27.139 -12.625 373 HD2 PRO 642 HD2 PRO 642 -8.821 -25.537 -10.438 374 HD3 PRO 642 HD1 PRO 642 -9.600 -27.132 -10.416 375 H ALA 643 HN ALA 643 -4.277 -28.737 -10.989 376 HA ALA 643 HA ALA 643 -2.804 -26.398 -10.201 377 HB1 ALA 643 HB1 ALA 643 -1.839 -28.866 -11.645 378 HB2 ALA 643 HB2 ALA 643 -1.877 -28.652 -9.895 379 HB3 ALA 643 HB3 ALA 643 -0.829 -27.636 -10.884 380 H TYR 644 HN TYR 644 -1.349 -25.259 -11.602 381 HA TYR 644 HA TYR 644 -2.602 -23.998 -13.714 382 HB2 TYR 644 HB2 TYR 644 -0.586 -23.254 -12.366 383 HB3 TYR 644 HB1 TYR 644 0.391 -24.263 -13.422 384 HD1 TYR 644 HD1 TYR 644 0.599 -23.673 -15.839 385 HD2 TYR 644 HD2 TYR 644 -1.375 -21.132 -13.053 386 HE1 TYR 644 HE1 TYR 644 0.798 -21.795 -17.415 387 HE2 TYR 644 HE2 TYR 644 -1.185 -19.253 -14.622 388 HH TYR 644 HH TYR 644 -0.349 -19.638 -17.874 389 H ALA 645 HN ALA 645 -0.483 -26.803 -13.800 390 HA ALA 645 HA ALA 645 0.053 -26.798 -16.562 391 HB1 ALA 645 HB1 ALA 645 1.383 -28.050 -14.934 392 HB2 ALA 645 HB2 ALA 645 0.814 -29.080 -16.248 393 HB3 ALA 645 HB3 ALA 645 0.026 -29.145 -14.671 394 H THR 646 HN THR 646 -2.404 -28.620 -14.706 395 HA THR 646 HA THR 646 -3.409 -29.893 -17.054 396 HB THR 646 HB THR 646 -3.539 -30.931 -14.804 397 HG1 THR 646 HG1 THR 646 -5.700 -30.656 -16.545 398 HG21 THR 646 HG21 THR 646 -5.739 -28.917 -14.327 399 HG22 THR 646 HG22 THR 646 -4.177 -28.950 -13.508 400 HG23 THR 646 HG23 THR 646 -5.324 -30.270 -13.270 401 H LEU 647 HN LEU 647 -4.126 -26.856 -15.510 402 HA LEU 647 HA LEU 647 -6.695 -26.705 -16.870 403 HB2 LEU 647 HB2 LEU 647 -6.998 -24.562 -15.712 404 HB3 LEU 647 HB1 LEU 647 -6.682 -25.885 -14.615 405 HG LEU 647 HG LEU 647 -4.223 -24.999 -14.663 406 HD11 LEU 647 HD11 LEU 647 -5.750 -22.546 -15.520 407 HD12 LEU 647 HD12 LEU 647 -4.530 -23.393 -16.469 408 HD13 LEU 647 HD13 LEU 647 -4.074 -22.581 -14.971 409 HD21 LEU 647 HD21 LEU 647 -4.741 -23.506 -12.799 410 HD22 LEU 647 HD22 LEU 647 -5.680 -24.998 -12.707 411 HD23 LEU 647 HD23 LEU 647 -6.441 -23.507 -13.267 412 H GLY 648 HN GLY 648 -3.445 -25.570 -17.263 413 HA2 GLY 648 HA2 GLY 648 -3.138 -25.088 -19.762 414 HA3 GLY 648 HA1 GLY 648 -4.335 -23.837 -19.471 Start of MODEL 4 1 H1 GLY 416 HT1 GLY 416 -14.827 -4.220 -2.916 2 H2 GLY 416 HT2 GLY 416 -16.050 -3.723 -1.856 3 H3 GLY 416 HT3 GLY 416 -15.358 -5.265 -1.694 4 HA2 GLY 416 HA1 GLY 416 -14.473 -3.824 -0.002 5 HA3 GLY 416 HA2 GLY 416 -13.218 -4.260 -1.151 6 H SER 417 HN SER 417 -12.512 -2.691 -2.680 7 HA SER 417 HA SER 417 -13.479 0.035 -2.361 8 HB2 SER 417 HB2 SER 417 -11.733 -0.328 -0.589 9 HB3 SER 417 HB1 SER 417 -10.569 -0.650 -1.872 10 HG SER 417 HG SER 417 -11.507 1.722 -0.926 11 H MET 418 HN MET 418 -12.912 -2.301 -4.387 12 HA MET 418 HA MET 418 -11.206 -0.867 -6.271 13 HB2 MET 418 HB2 MET 418 -10.973 -3.364 -5.775 14 HB3 MET 418 HB1 MET 418 -12.452 -3.572 -6.704 15 HG2 MET 418 HG2 MET 418 -10.509 -3.991 -8.079 16 HG3 MET 418 HG1 MET 418 -11.381 -2.570 -8.649 17 HE1 MET 418 HE1 MET 418 -9.242 -1.867 -10.105 18 HE2 MET 418 HE2 MET 418 -8.377 -3.288 -9.521 19 HE3 MET 418 HE3 MET 418 -7.621 -1.696 -9.429 20 H GLU 419 HN GLU 419 -12.131 0.562 -7.473 21 HA GLU 419 HA GLU 419 -14.867 0.770 -8.081 22 HB2 GLU 419 HB2 GLU 419 -12.487 1.916 -9.555 23 HB3 GLU 419 HB1 GLU 419 -14.157 2.427 -9.777 24 HG2 GLU 419 HG2 GLU 419 -14.265 3.453 -7.721 25 HG3 GLU 419 HG1 GLU 419 -12.936 2.503 -7.059 26 H GLN 420 HN GLN 420 -12.192 -0.154 -10.242 27 HA GLN 420 HA GLN 420 -14.117 -1.708 -11.828 28 HB2 GLN 420 HB2 GLN 420 -11.353 -0.706 -12.544 29 HB3 GLN 420 HB1 GLN 420 -12.356 -1.706 -13.587 30 HG2 GLN 420 HG2 GLN 420 -14.057 0.079 -13.610 31 HG3 GLN 420 HG1 GLN 420 -12.982 1.082 -12.637 32 HE21 GLN 420 HE21 GLN 420 -12.843 2.666 -14.214 33 HE22 GLN 420 HE22 GLN 420 -11.958 2.439 -15.680 34 H GLY 421 HN GLY 421 -14.219 -3.647 -10.846 35 HA2 GLY 421 HA2 GLY 421 -12.051 -4.905 -9.552 36 HA3 GLY 421 HA1 GLY 421 -13.577 -5.655 -9.984 37 H PHE 422 HN PHE 422 -10.373 -4.822 -11.168 38 HA PHE 422 HA PHE 422 -10.546 -7.158 -12.944 39 HB2 PHE 422 HB2 PHE 422 -8.920 -6.073 -14.459 40 HB3 PHE 422 HB1 PHE 422 -10.415 -5.159 -14.340 41 HD1 PHE 422 HD2 PHE 422 -6.880 -5.262 -13.228 42 HD2 PHE 422 HD1 PHE 422 -10.404 -2.918 -13.654 43 HE1 PHE 422 HE2 PHE 422 -5.591 -3.234 -12.703 44 HE2 PHE 422 HE1 PHE 422 -9.121 -0.887 -13.134 45 HZ PHE 422 HZ PHE 422 -6.710 -1.043 -12.658 46 H LEU 423 HN LEU 423 -7.948 -7.625 -13.513 47 HA LEU 423 HA LEU 423 -6.772 -7.932 -10.836 48 HB2 LEU 423 HB2 LEU 423 -6.642 -9.761 -13.228 49 HB3 LEU 423 HB1 LEU 423 -5.591 -9.933 -11.839 50 HG LEU 423 HG LEU 423 -7.267 -11.496 -11.467 51 HD11 LEU 423 HD11 LEU 423 -8.106 -9.025 -9.980 52 HD12 LEU 423 HD12 LEU 423 -6.875 -10.187 -9.489 53 HD13 LEU 423 HD13 LEU 423 -8.567 -10.676 -9.565 54 HD21 LEU 423 HD21 LEU 423 -9.315 -9.430 -12.259 55 HD22 LEU 423 HD22 LEU 423 -9.665 -11.069 -11.711 56 HD23 LEU 423 HD23 LEU 423 -8.803 -10.813 -13.228 57 HA PRO 424 HA PRO 424 -3.170 -5.721 -12.146 58 HB2 PRO 424 HB2 PRO 424 -1.552 -7.660 -10.623 59 HB3 PRO 424 HB1 PRO 424 -1.742 -5.924 -10.366 60 HG2 PRO 424 HG2 PRO 424 -2.817 -7.763 -8.706 61 HG3 PRO 424 HG1 PRO 424 -3.587 -6.200 -9.010 62 HD2 PRO 424 HD2 PRO 424 -4.284 -8.894 -10.070 63 HD3 PRO 424 HD1 PRO 424 -5.344 -7.543 -9.626 64 H LYS 425 HN LYS 425 -0.972 -6.200 -13.229 65 HA LYS 425 HA LYS 425 -1.519 -8.148 -15.280 66 HB2 LYS 425 HB2 LYS 425 -0.401 -5.978 -15.785 67 HB3 LYS 425 HB1 LYS 425 1.004 -6.528 -14.881 68 HG2 LYS 425 HG2 LYS 425 1.274 -6.799 -17.309 69 HG3 LYS 425 HG1 LYS 425 1.360 -8.337 -16.442 70 HD2 LYS 425 HD2 LYS 425 -1.059 -8.684 -16.985 71 HD3 LYS 425 HD1 LYS 425 -0.985 -7.242 -17.997 72 HE2 LYS 425 HE2 LYS 425 0.689 -9.727 -18.357 73 HE3 LYS 425 HE1 LYS 425 -0.742 -9.317 -19.296 74 HZ1 LYS 425 HZ1 LYS 425 0.432 -7.275 -20.014 75 HZ2 LYS 425 HZ2 LYS 425 1.181 -8.703 -20.529 76 HZ3 LYS 425 HZ3 LYS 425 1.828 -7.835 -19.233 77 H GLY 426 HN GLY 426 -1.317 -10.193 -14.816 78 HA2 GLY 426 HA2 GLY 426 0.630 -11.842 -14.680 79 HA3 GLY 426 HA1 GLY 426 0.916 -11.066 -13.123 80 H TRP 427 HN TRP 427 -2.009 -10.637 -12.813 81 HA TRP 427 HA TRP 427 -2.642 -13.315 -11.805 82 HB2 TRP 427 HB2 TRP 427 -3.856 -10.622 -11.133 83 HB3 TRP 427 HB1 TRP 427 -4.318 -12.153 -10.398 84 HD1 TRP 427 HD1 TRP 427 -1.332 -9.721 -10.566 85 HE1 TRP 427 HE1 TRP 427 0.109 -10.065 -8.465 86 HE3 TRP 427 HE3 TRP 427 -3.765 -13.749 -8.569 87 HZ2 TRP 427 HZ2 TRP 427 0.201 -11.819 -6.250 88 HZ3 TRP 427 HZ3 TRP 427 -2.937 -14.699 -6.458 89 HH2 TRP 427 HH2 TRP 427 -0.994 -13.755 -5.324 90 H GLU 428 HN GLU 428 -4.736 -14.223 -12.145 91 HA GLU 428 HA GLU 428 -6.459 -12.975 -14.144 92 HB2 GLU 428 HB2 GLU 428 -4.889 -14.372 -15.434 93 HB3 GLU 428 HB1 GLU 428 -5.252 -15.747 -14.403 94 HG2 GLU 428 HG2 GLU 428 -6.387 -15.922 -16.536 95 HG3 GLU 428 HG1 GLU 428 -7.546 -15.764 -15.216 96 H VAL 429 HN VAL 429 -8.636 -14.086 -14.136 97 HA VAL 429 HA VAL 429 -9.022 -15.462 -11.566 98 HB VAL 429 HB VAL 429 -10.245 -13.340 -11.729 99 HG11 VAL 429 HG11 VAL 429 -10.574 -13.220 -14.120 100 HG12 VAL 429 HG12 VAL 429 -12.121 -13.095 -13.281 101 HG13 VAL 429 HG13 VAL 429 -11.661 -14.608 -14.059 102 HG21 VAL 429 HG21 VAL 429 -12.474 -14.183 -11.137 103 HG22 VAL 429 HG22 VAL 429 -11.184 -15.110 -10.368 104 HG23 VAL 429 HG23 VAL 429 -12.030 -15.767 -11.770 105 H ARG 430 HN ARG 430 -10.026 -17.393 -11.490 106 HA ARG 430 HA ARG 430 -10.716 -18.631 -14.059 107 HB2 ARG 430 HB2 ARG 430 -8.551 -19.286 -12.425 108 HB3 ARG 430 HB1 ARG 430 -9.736 -20.554 -12.130 109 HG2 ARG 430 HG2 ARG 430 -8.205 -21.136 -13.952 110 HG3 ARG 430 HG1 ARG 430 -9.876 -21.018 -14.510 111 HD2 ARG 430 HD2 ARG 430 -9.414 -18.722 -15.303 112 HD3 ARG 430 HD1 ARG 430 -7.733 -18.911 -14.810 113 HE ARG 430 HE ARG 430 -8.496 -20.988 -16.585 114 HH11 ARG 430 HH11 ARG 430 -7.725 -17.581 -16.525 115 HH12 ARG 430 HH12 ARG 430 -7.122 -17.545 -18.153 116 HH21 ARG 430 HH21 ARG 430 -7.711 -20.964 -18.740 117 HH22 ARG 430 HH22 ARG 430 -7.110 -19.471 -19.412 118 H HIS 431 HN HIS 431 -11.340 -21.160 -12.574 119 HA HIS 431 HA HIS 431 -13.767 -20.501 -11.220 120 HB2 HIS 431 HB2 HIS 431 -13.827 -21.199 -14.115 121 HB3 HIS 431 HB1 HIS 431 -15.057 -21.921 -13.082 122 HD1 HIS 431 HD1 HIS 431 -14.024 -18.707 -14.638 123 HD2 HIS 431 HD2 HIS 431 -16.868 -20.071 -11.921 124 HE1 HIS 431 HE1 HIS 431 -15.702 -16.845 -14.414 125 HE2 HIS 431 HE2 HIS 431 -17.495 -17.757 -12.892 126 H ALA 432 HN ALA 432 -13.741 -21.952 -9.659 127 HA ALA 432 HA ALA 432 -12.599 -24.588 -10.081 128 HB1 ALA 432 HB1 ALA 432 -12.141 -23.379 -7.998 129 HB2 ALA 432 HB2 ALA 432 -12.984 -24.897 -7.681 130 HB3 ALA 432 HB3 ALA 432 -13.864 -23.369 -7.619 131 HA PRO 433 HA PRO 433 -16.226 -26.899 -11.006 132 HB2 PRO 433 HB2 PRO 433 -15.532 -28.697 -8.738 133 HB3 PRO 433 HB1 PRO 433 -15.820 -29.085 -10.438 134 HG2 PRO 433 HG2 PRO 433 -13.351 -29.073 -9.455 135 HG3 PRO 433 HG1 PRO 433 -13.684 -28.452 -11.083 136 HD2 PRO 433 HD2 PRO 433 -13.156 -26.956 -8.552 137 HD3 PRO 433 HD1 PRO 433 -12.641 -26.587 -10.211 138 H ASN 434 HN ASN 434 -15.697 -25.946 -7.677 139 HA ASN 434 HA ASN 434 -18.328 -26.592 -6.762 140 HB2 ASN 434 HB2 ASN 434 -16.238 -24.758 -5.569 141 HB3 ASN 434 HB1 ASN 434 -17.714 -25.269 -4.759 142 HD21 ASN 434 HD21 ASN 434 -17.914 -27.414 -4.075 143 HD22 ASN 434 HD22 ASN 434 -16.527 -28.441 -3.900 144 H GLY 435 HN GLY 435 -17.264 -24.230 -8.847 145 HA2 GLY 435 HA2 GLY 435 -18.585 -22.552 -9.818 146 HA3 GLY 435 HA1 GLY 435 -19.709 -22.681 -8.470 147 H ARG 436 HN ARG 436 -16.345 -22.445 -7.873 148 HA ARG 436 HA ARG 436 -16.743 -19.738 -6.793 149 HB2 ARG 436 HB2 ARG 436 -15.036 -22.029 -5.826 150 HB3 ARG 436 HB1 ARG 436 -14.823 -20.382 -5.250 151 HG2 ARG 436 HG2 ARG 436 -17.578 -21.371 -5.120 152 HG3 ARG 436 HG1 ARG 436 -16.429 -22.229 -4.091 153 HD2 ARG 436 HD2 ARG 436 -16.746 -19.230 -4.154 154 HD3 ARG 436 HD1 ARG 436 -17.542 -20.285 -2.987 155 HE ARG 436 HE ARG 436 -15.032 -21.010 -2.605 156 HH11 ARG 436 HH11 ARG 436 -16.343 -17.780 -3.003 157 HH12 ARG 436 HH12 ARG 436 -15.118 -17.031 -2.030 158 HH21 ARG 436 HH21 ARG 436 -13.428 -20.027 -1.317 159 HH22 ARG 436 HH22 ARG 436 -13.458 -18.300 -1.076 160 HA PRO 437 HA PRO 437 -13.557 -18.664 -9.732 161 HB2 PRO 437 HB2 PRO 437 -13.619 -16.008 -9.336 162 HB3 PRO 437 HB1 PRO 437 -14.912 -16.851 -10.194 163 HG2 PRO 437 HG2 PRO 437 -14.839 -15.847 -7.387 164 HG3 PRO 437 HG1 PRO 437 -16.181 -15.852 -8.543 165 HD2 PRO 437 HD2 PRO 437 -15.837 -17.690 -6.500 166 HD3 PRO 437 HD1 PRO 437 -16.824 -17.955 -7.950 167 H PHE 438 HN PHE 438 -11.458 -18.965 -9.311 168 HA PHE 438 HA PHE 438 -10.303 -17.624 -6.964 169 HB2 PHE 438 HB2 PHE 438 -8.630 -19.422 -6.834 170 HB3 PHE 438 HB1 PHE 438 -10.262 -20.058 -6.666 171 HD1 PHE 438 HD2 PHE 438 -11.272 -21.355 -8.496 172 HD2 PHE 438 HD1 PHE 438 -7.233 -20.034 -8.661 173 HE1 PHE 438 HE2 PHE 438 -10.824 -22.967 -10.298 174 HE2 PHE 438 HE1 PHE 438 -6.778 -21.643 -10.466 175 HZ PHE 438 HZ PHE 438 -8.576 -23.112 -11.286 176 H PHE 439 HN PHE 439 -8.293 -16.661 -7.208 177 HA PHE 439 HA PHE 439 -7.741 -15.834 -9.944 178 HB2 PHE 439 HB2 PHE 439 -6.546 -14.767 -7.378 179 HB3 PHE 439 HB1 PHE 439 -6.509 -14.007 -8.967 180 HD1 PHE 439 HD2 PHE 439 -8.696 -13.251 -9.988 181 HD2 PHE 439 HD1 PHE 439 -8.324 -14.382 -5.902 182 HE1 PHE 439 HE2 PHE 439 -10.793 -12.069 -9.473 183 HE2 PHE 439 HE1 PHE 439 -10.422 -13.205 -5.379 184 HZ PHE 439 HZ PHE 439 -11.659 -12.044 -7.167 185 H ILE 440 HN ILE 440 -5.889 -16.212 -11.006 186 HA ILE 440 HA ILE 440 -3.898 -17.955 -9.697 187 HB ILE 440 HB ILE 440 -4.560 -17.849 -12.647 188 HG12 ILE 440 HG12 ILE 440 -5.314 -19.941 -10.597 189 HG13 ILE 440 HG11 ILE 440 -6.424 -18.810 -11.364 190 HG21 ILE 440 HG21 ILE 440 -2.264 -18.499 -12.197 191 HG22 ILE 440 HG22 ILE 440 -3.190 -19.880 -12.784 192 HG23 ILE 440 HG23 ILE 440 -2.818 -19.735 -11.066 193 HD11 ILE 440 HD11 ILE 440 -6.568 -21.006 -12.376 194 HD12 ILE 440 HD12 ILE 440 -4.846 -20.959 -12.758 195 HD13 ILE 440 HD13 ILE 440 -5.952 -19.823 -13.532 196 H ASP 441 HN ASP 441 -1.807 -17.395 -9.838 197 HA ASP 441 HA ASP 441 -1.166 -14.878 -11.214 198 HB2 ASP 441 HB2 ASP 441 -0.604 -14.723 -8.912 199 HB3 ASP 441 HB1 ASP 441 0.158 -16.312 -8.916 200 H HIS 442 HN HIS 442 -0.044 -14.943 -13.025 201 HA HIS 442 HA HIS 442 0.959 -17.401 -14.094 202 HB2 HIS 442 HB2 HIS 442 1.259 -14.558 -15.083 203 HB3 HIS 442 HB1 HIS 442 1.745 -15.983 -15.984 204 HD1 HIS 442 HD1 HIS 442 -0.065 -17.218 -17.268 205 HD2 HIS 442 HD2 HIS 442 -1.547 -14.177 -14.861 206 HE1 HIS 442 HE1 HIS 442 -2.460 -16.920 -17.964 207 HE2 HIS 442 HE2 HIS 442 -3.231 -14.882 -16.694 208 H ASN 443 HN ASN 443 2.353 -15.022 -12.059 209 HA ASN 443 HA ASN 443 5.007 -15.156 -13.153 210 HB2 ASN 443 HB2 ASN 443 4.053 -14.022 -10.519 211 HB3 ASN 443 HB1 ASN 443 5.660 -13.802 -11.204 212 HD21 ASN 443 HD21 ASN 443 2.368 -12.803 -11.241 213 HD22 ASN 443 HD22 ASN 443 2.559 -11.530 -12.407 214 H THR 444 HN THR 444 3.668 -16.208 -10.002 215 HA THR 444 HA THR 444 5.942 -18.073 -9.815 216 HB THR 444 HB THR 444 5.736 -16.441 -7.959 217 HG1 THR 444 HG1 THR 444 5.948 -19.116 -7.758 218 HG21 THR 444 HG21 THR 444 3.924 -16.689 -6.322 219 HG22 THR 444 HG22 THR 444 3.145 -17.877 -7.368 220 HG23 THR 444 HG23 THR 444 3.307 -16.203 -7.901 221 H LYS 445 HN LYS 445 2.815 -18.026 -10.741 222 HA LYS 445 HA LYS 445 1.277 -19.619 -11.214 223 HB2 LYS 445 HB2 LYS 445 3.486 -21.545 -10.465 224 HB3 LYS 445 HB1 LYS 445 2.009 -21.965 -11.322 225 HG2 LYS 445 HG2 LYS 445 3.985 -19.956 -12.368 226 HG3 LYS 445 HG1 LYS 445 4.072 -21.679 -12.737 227 HD2 LYS 445 HD2 LYS 445 1.599 -20.043 -13.244 228 HD3 LYS 445 HD1 LYS 445 2.892 -20.198 -14.437 229 HE2 LYS 445 HE2 LYS 445 1.362 -22.493 -13.207 230 HE3 LYS 445 HE1 LYS 445 1.062 -21.812 -14.805 231 HZ1 LYS 445 HZ1 LYS 445 3.589 -23.108 -13.916 232 HZ2 LYS 445 HZ2 LYS 445 3.311 -22.449 -15.451 233 HZ3 LYS 445 HZ3 LYS 445 2.426 -23.800 -14.938 234 H THR 446 HN THR 446 0.750 -18.487 -8.950 235 HA THR 446 HA THR 446 0.082 -20.670 -7.086 236 HB THR 446 HB THR 446 1.632 -18.922 -6.146 237 HG1 THR 446 HG1 THR 446 0.624 -19.763 -4.473 238 HG21 THR 446 HG21 THR 446 0.765 -16.969 -7.314 239 HG22 THR 446 HG22 THR 446 0.691 -16.724 -5.568 240 HG23 THR 446 HG23 THR 446 -0.774 -17.124 -6.467 241 H THR 447 HN THR 447 -1.999 -20.372 -5.945 242 HA THR 447 HA THR 447 -3.931 -18.831 -7.554 243 HB THR 447 HB THR 447 -5.612 -20.614 -7.065 244 HG1 THR 447 HG1 THR 447 -3.357 -21.760 -5.833 245 HG21 THR 447 HG21 THR 447 -4.483 -20.571 -9.230 246 HG22 THR 447 HG22 THR 447 -4.787 -22.231 -8.716 247 HG23 THR 447 HG23 THR 447 -3.167 -21.547 -8.575 248 H THR 448 HN THR 448 -5.592 -17.806 -6.393 249 HA THR 448 HA THR 448 -5.496 -18.122 -3.488 250 HB THR 448 HB THR 448 -3.994 -16.255 -4.011 251 HG1 THR 448 HG1 THR 448 -4.753 -15.620 -2.157 252 HG21 THR 448 HG21 THR 448 -6.451 -14.947 -5.189 253 HG22 THR 448 HG22 THR 448 -5.026 -15.477 -6.086 254 HG23 THR 448 HG23 THR 448 -4.894 -14.162 -4.918 255 H TRP 449 HN TRP 449 -7.305 -17.480 -2.372 256 HA TRP 449 HA TRP 449 -9.748 -17.246 -3.983 257 HB2 TRP 449 HB2 TRP 449 -9.356 -18.220 -1.145 258 HB3 TRP 449 HB1 TRP 449 -10.915 -18.079 -1.950 259 HD1 TRP 449 HD1 TRP 449 -7.933 -20.356 -1.629 260 HE1 TRP 449 HE1 TRP 449 -8.340 -22.500 -2.991 261 HE3 TRP 449 HE3 TRP 449 -12.106 -18.895 -4.186 262 HZ2 TRP 449 HZ2 TRP 449 -10.187 -23.443 -4.906 263 HZ3 TRP 449 HZ3 TRP 449 -13.133 -20.477 -5.767 264 HH2 TRP 449 HH2 TRP 449 -12.192 -22.704 -6.120 265 H GLU 450 HN GLU 450 -7.652 -15.413 -2.293 266 HA GLU 450 HA GLU 450 -9.683 -13.716 -1.039 267 HB2 GLU 450 HB2 GLU 450 -7.909 -12.689 0.229 268 HB3 GLU 450 HB1 GLU 450 -7.792 -14.434 0.389 269 HG2 GLU 450 HG2 GLU 450 -6.000 -14.430 -1.303 270 HG3 GLU 450 HG1 GLU 450 -6.085 -12.668 -1.348 271 H ASP 451 HN ASP 451 -9.248 -11.333 -1.214 272 HA ASP 451 HA ASP 451 -9.271 -10.723 -4.026 273 HB2 ASP 451 HB2 ASP 451 -10.777 -9.639 -2.301 274 HB3 ASP 451 HB1 ASP 451 -9.364 -8.758 -1.727 275 HA PRO 452 HA PRO 452 -4.852 -9.892 -3.947 276 HB2 PRO 452 HB2 PRO 452 -4.490 -9.726 -6.594 277 HB3 PRO 452 HB1 PRO 452 -4.784 -11.281 -5.801 278 HG2 PRO 452 HG2 PRO 452 -6.709 -9.513 -7.268 279 HG3 PRO 452 HG1 PRO 452 -6.499 -11.268 -7.384 280 HD2 PRO 452 HD2 PRO 452 -8.452 -10.092 -5.886 281 HD3 PRO 452 HD1 PRO 452 -7.732 -11.662 -5.475 282 H ARG 453 HN ARG 453 -7.397 -7.911 -5.224 283 HA ARG 453 HA ARG 453 -5.707 -5.716 -5.979 284 HB2 ARG 453 HB2 ARG 453 -8.697 -5.848 -5.505 285 HB3 ARG 453 HB1 ARG 453 -7.853 -4.427 -6.098 286 HG2 ARG 453 HG2 ARG 453 -8.768 -5.429 -7.999 287 HG3 ARG 453 HG1 ARG 453 -7.069 -5.887 -8.029 288 HD2 ARG 453 HD2 ARG 453 -8.566 -7.749 -8.602 289 HD3 ARG 453 HD1 ARG 453 -7.594 -8.072 -7.170 290 HE ARG 453 HE ARG 453 -9.606 -7.581 -5.836 291 HH11 ARG 453 HH11 ARG 453 -10.024 -8.336 -9.246 292 HH12 ARG 453 HH12 ARG 453 -11.640 -8.936 -9.040 293 HH21 ARG 453 HH21 ARG 453 -11.717 -8.375 -5.571 294 HH22 ARG 453 HH22 ARG 453 -12.604 -8.966 -6.959 295 H LEU 454 HN LEU 454 -7.401 -6.785 -3.132 296 HA LEU 454 HA LEU 454 -7.048 -4.344 -1.670 297 HB2 LEU 454 HB2 LEU 454 -7.710 -7.141 -0.745 298 HB3 LEU 454 HB1 LEU 454 -7.674 -5.740 0.309 299 HG LEU 454 HG LEU 454 -9.555 -6.165 -2.018 300 HD11 LEU 454 HD11 LEU 454 -10.027 -6.138 0.959 301 HD12 LEU 454 HD12 LEU 454 -10.086 -7.551 -0.095 302 HD13 LEU 454 HD13 LEU 454 -11.275 -6.261 -0.281 303 HD21 LEU 454 HD21 LEU 454 -8.980 -3.806 -1.774 304 HD22 LEU 454 HD22 LEU 454 -9.373 -3.878 -0.055 305 HD23 LEU 454 HD23 LEU 454 -10.641 -4.105 -1.259 306 H LYS 455 HN LYS 455 -5.164 -7.171 -2.298 307 HA LYS 455 HA LYS 455 -3.298 -6.975 -0.201 308 HB2 LYS 455 HB2 LYS 455 -2.926 -8.003 -3.020 309 HB3 LYS 455 HB1 LYS 455 -1.796 -8.260 -1.700 310 HG2 LYS 455 HG2 LYS 455 -4.634 -9.271 -1.780 311 HG3 LYS 455 HG1 LYS 455 -3.197 -10.222 -2.158 312 HD2 LYS 455 HD2 LYS 455 -3.426 -10.814 0.028 313 HD3 LYS 455 HD1 LYS 455 -2.474 -9.348 0.256 314 HE2 LYS 455 HE2 LYS 455 -4.288 -9.283 1.802 315 HE3 LYS 455 HE1 LYS 455 -4.630 -8.100 0.540 316 HZ1 LYS 455 HZ1 LYS 455 -6.103 -9.706 -0.509 317 HZ2 LYS 455 HZ2 LYS 455 -6.586 -9.413 1.087 318 HZ3 LYS 455 HZ3 LYS 455 -5.758 -10.845 0.700 319 H ILE 456 HN ILE 456 -1.781 -5.485 0.182 320 HA ILE 456 HA ILE 456 -1.172 -3.583 -1.964 321 HB ILE 456 HB ILE 456 -2.008 -2.486 -0.007 322 HG12 ILE 456 HG12 ILE 456 -0.083 -1.027 0.619 323 HG13 ILE 456 HG11 ILE 456 0.990 -2.146 -0.214 324 HG21 ILE 456 HG21 ILE 456 -0.935 -2.643 2.192 325 HG22 ILE 456 HG22 ILE 456 0.139 -3.893 1.567 326 HG23 ILE 456 HG23 ILE 456 -1.598 -4.188 1.658 327 HD11 ILE 456 HD11 ILE 456 0.495 -0.226 -1.597 328 HD12 ILE 456 HD12 ILE 456 -1.233 -0.555 -1.465 329 HD13 ILE 456 HD13 ILE 456 -0.181 -1.691 -2.310 330 HA PRO 457 HA PRO 457 2.812 -5.689 -1.960 331 HB2 PRO 457 HB2 PRO 457 3.173 -4.975 -4.675 332 HB3 PRO 457 HB1 PRO 457 2.619 -6.530 -4.054 333 HG2 PRO 457 HG2 PRO 457 1.103 -4.724 -5.559 334 HG3 PRO 457 HG1 PRO 457 0.477 -6.098 -4.636 335 HD2 PRO 457 HD2 PRO 457 0.559 -3.203 -3.915 336 HD3 PRO 457 HD1 PRO 457 -0.654 -4.437 -3.511 337 H ALA 458 HN ALA 458 4.446 -4.579 -1.059 338 HA ALA 458 HA ALA 458 5.240 -2.040 -2.307 339 HB1 ALA 458 HB1 ALA 458 4.068 -1.575 -0.202 340 HB2 ALA 458 HB2 ALA 458 5.771 -1.126 -0.115 341 HB3 ALA 458 HB3 ALA 458 5.210 -2.609 0.657 342 H1 THR 638 HN THR 638 -15.462 -28.146 -0.036 343 HA THR 638 HA THR 638 -14.908 -25.904 -1.839 344 HB THR 638 HB THR 638 -13.157 -25.138 -0.125 345 HG1 THR 638 HG1 THR 638 -13.271 -25.917 1.870 346 HG21 THR 638 HG21 THR 638 -16.093 -24.790 0.506 347 HG22 THR 638 HG22 THR 638 -15.164 -23.843 -0.658 348 HG23 THR 638 HG23 THR 638 -14.790 -23.740 1.065 349 H ALA 639 HN ALA 639 -14.033 -27.293 -3.353 350 HA ALA 639 HA ALA 639 -11.868 -29.074 -2.571 351 HB1 ALA 639 HB1 ALA 639 -13.537 -29.871 -4.178 352 HB2 ALA 639 HB2 ALA 639 -11.924 -29.833 -4.894 353 HB3 ALA 639 HB3 ALA 639 -13.093 -28.572 -5.285 354 HA PRO 640 HA PRO 640 -8.557 -26.280 -3.454 355 HB2 PRO 640 HB2 PRO 640 -7.189 -28.627 -4.660 356 HB3 PRO 640 HB1 PRO 640 -6.656 -27.560 -3.355 357 HG2 PRO 640 HG2 PRO 640 -7.497 -30.034 -2.826 358 HG3 PRO 640 HG1 PRO 640 -7.899 -28.682 -1.748 359 HD2 PRO 640 HD2 PRO 640 -9.606 -30.050 -3.793 360 HD3 PRO 640 HD1 PRO 640 -10.037 -29.466 -2.171 361 HA PRO 641 HA PRO 641 -9.216 -25.105 -7.663 362 HB2 PRO 641 HB2 PRO 641 -6.983 -23.540 -7.976 363 HB3 PRO 641 HB1 PRO 641 -8.461 -23.012 -7.173 364 HG2 PRO 641 HG2 PRO 641 -5.907 -23.997 -5.979 365 HG3 PRO 641 HG1 PRO 641 -6.966 -22.681 -5.440 366 HD2 PRO 641 HD2 PRO 641 -6.967 -25.104 -4.254 367 HD3 PRO 641 HD1 PRO 641 -8.437 -24.120 -4.399 368 HA PRO 642 HA PRO 642 -6.828 -28.093 -9.929 369 HB2 PRO 642 HB2 PRO 642 -7.577 -27.300 -12.433 370 HB3 PRO 642 HB1 PRO 642 -8.596 -28.281 -11.376 371 HG2 PRO 642 HG2 PRO 642 -8.684 -25.337 -11.894 372 HG3 PRO 642 HG1 PRO 642 -10.024 -26.488 -11.739 373 HD2 PRO 642 HD2 PRO 642 -9.301 -24.839 -9.727 374 HD3 PRO 642 HD1 PRO 642 -9.940 -26.468 -9.431 375 H ALA 643 HN ALA 643 -5.001 -28.210 -11.240 376 HA ALA 643 HA ALA 643 -3.238 -25.988 -11.075 377 HB1 ALA 643 HB1 ALA 643 -2.906 -28.566 -12.603 378 HB2 ALA 643 HB2 ALA 643 -2.461 -28.307 -10.916 379 HB3 ALA 643 HB3 ALA 643 -1.626 -27.424 -12.194 380 H TYR 644 HN TYR 644 -2.274 -24.813 -12.721 381 HA TYR 644 HA TYR 644 -3.943 -23.773 -14.693 382 HB2 TYR 644 HB2 TYR 644 -1.878 -22.733 -13.646 383 HB3 TYR 644 HB1 TYR 644 -0.921 -23.735 -14.724 384 HD1 TYR 644 HD1 TYR 644 -1.149 -23.368 -17.232 385 HD2 TYR 644 HD2 TYR 644 -2.779 -20.694 -14.351 386 HE1 TYR 644 HE1 TYR 644 -1.273 -21.605 -18.943 387 HE2 TYR 644 HE2 TYR 644 -2.908 -18.928 -16.053 388 HH TYR 644 HH TYR 644 -2.470 -19.547 -19.387 389 H ALA 645 HN ALA 645 -1.455 -26.256 -14.841 390 HA ALA 645 HA ALA 645 -1.294 -26.506 -17.632 391 HB1 ALA 645 HB1 ALA 645 0.393 -27.363 -16.083 392 HB2 ALA 645 HB2 ALA 645 -0.159 -28.602 -17.211 393 HB3 ALA 645 HB3 ALA 645 -0.740 -28.605 -15.547 394 H THR 646 HN THR 646 -3.621 -27.848 -15.372 395 HA THR 646 HA THR 646 -4.570 -29.695 -17.425 396 HB THR 646 HB THR 646 -4.292 -30.599 -15.146 397 HG1 THR 646 HG1 THR 646 -6.658 -30.643 -16.586 398 HG21 THR 646 HG21 THR 646 -6.545 -28.722 -14.420 399 HG22 THR 646 HG22 THR 646 -4.882 -28.617 -13.842 400 HG23 THR 646 HG23 THR 646 -5.890 -29.989 -13.383 401 H LEU 647 HN LEU 647 -5.366 -26.614 -16.108 402 HA LEU 647 HA LEU 647 -8.106 -26.816 -17.076 403 HB2 LEU 647 HB2 LEU 647 -8.393 -24.530 -16.178 404 HB3 LEU 647 HB1 LEU 647 -7.891 -25.697 -14.977 405 HG LEU 647 HG LEU 647 -5.497 -24.747 -15.435 406 HD11 LEU 647 HD11 LEU 647 -7.218 -22.448 -16.350 407 HD12 LEU 647 HD12 LEU 647 -6.104 -23.371 -17.358 408 HD13 LEU 647 HD13 LEU 647 -5.483 -22.385 -16.034 409 HD21 LEU 647 HD21 LEU 647 -5.861 -23.058 -13.697 410 HD22 LEU 647 HD22 LEU 647 -6.680 -24.575 -13.323 411 HD23 LEU 647 HD23 LEU 647 -7.603 -23.203 -13.932 412 H GLY 648 HN GLY 648 -5.039 -25.557 -18.046 413 HA2 GLY 648 HA2 GLY 648 -5.165 -25.419 -20.631 414 HA3 GLY 648 HA1 GLY 648 -6.289 -24.113 -20.280 Start of MODEL 5 1 H1 GLY 416 HT1 GLY 416 -18.455 -1.968 1.297 2 H2 GLY 416 HT2 GLY 416 -17.148 -2.076 0.227 3 H3 GLY 416 HT3 GLY 416 -16.913 -2.343 1.882 4 HA2 GLY 416 HA1 GLY 416 -18.239 -4.335 1.815 5 HA3 GLY 416 HA2 GLY 416 -18.586 -4.039 0.114 6 H SER 417 HN SER 417 -17.649 -6.304 0.014 7 HA SER 417 HA SER 417 -14.761 -6.390 0.235 8 HB2 SER 417 HB2 SER 417 -15.006 -8.745 -0.510 9 HB3 SER 417 HB1 SER 417 -16.012 -8.381 0.890 10 HG SER 417 HG SER 417 -16.728 -9.267 -1.552 11 H MET 418 HN MET 418 -13.431 -7.040 -1.637 12 HA MET 418 HA MET 418 -14.348 -5.560 -3.981 13 HB2 MET 418 HB2 MET 418 -12.141 -5.053 -2.848 14 HB3 MET 418 HB1 MET 418 -11.568 -6.603 -3.452 15 HG2 MET 418 HG2 MET 418 -11.825 -5.890 -5.716 16 HG3 MET 418 HG1 MET 418 -12.623 -4.403 -5.209 17 HE1 MET 418 HE1 MET 418 -9.630 -2.616 -3.317 18 HE2 MET 418 HE2 MET 418 -10.757 -3.771 -2.605 19 HE3 MET 418 HE3 MET 418 -11.350 -2.530 -3.709 20 H GLU 419 HN GLU 419 -15.603 -6.931 -5.147 21 HA GLU 419 HA GLU 419 -14.363 -9.455 -6.048 22 HB2 GLU 419 HB2 GLU 419 -17.316 -8.874 -6.151 23 HB3 GLU 419 HB1 GLU 419 -16.510 -10.430 -6.209 24 HG2 GLU 419 HG2 GLU 419 -16.625 -8.665 -3.778 25 HG3 GLU 419 HG1 GLU 419 -17.750 -9.978 -4.109 26 H GLN 420 HN GLN 420 -14.790 -6.406 -6.876 27 HA GLN 420 HA GLN 420 -16.218 -6.377 -9.290 28 HB2 GLN 420 HB2 GLN 420 -15.678 -4.373 -7.947 29 HB3 GLN 420 HB1 GLN 420 -13.988 -4.538 -8.408 30 HG2 GLN 420 HG2 GLN 420 -14.636 -4.231 -10.767 31 HG3 GLN 420 HG1 GLN 420 -16.301 -3.976 -10.249 32 HE21 GLN 420 HE21 GLN 420 -13.104 -2.657 -10.373 33 HE22 GLN 420 HE22 GLN 420 -13.527 -1.046 -9.898 34 H GLY 421 HN GLY 421 -12.684 -6.320 -8.787 35 HA2 GLY 421 HA2 GLY 421 -11.473 -7.997 -10.224 36 HA3 GLY 421 HA1 GLY 421 -12.397 -7.307 -11.552 37 H PHE 422 HN PHE 422 -10.543 -6.711 -12.653 38 HA PHE 422 HA PHE 422 -9.096 -5.146 -13.438 39 HB2 PHE 422 HB2 PHE 422 -10.572 -3.441 -12.221 40 HB3 PHE 422 HB1 PHE 422 -9.441 -3.556 -10.880 41 HD1 PHE 422 HD2 PHE 422 -9.533 -2.873 -14.538 42 HD2 PHE 422 HD1 PHE 422 -7.640 -2.116 -10.802 43 HE1 PHE 422 HE2 PHE 422 -8.123 -1.160 -15.604 44 HE2 PHE 422 HE1 PHE 422 -6.230 -0.402 -11.861 45 HZ PHE 422 HZ PHE 422 -6.471 0.078 -14.265 46 H LEU 423 HN LEU 423 -8.256 -7.372 -12.525 47 HA LEU 423 HA LEU 423 -6.493 -7.342 -10.299 48 HB2 LEU 423 HB2 LEU 423 -6.858 -9.219 -12.619 49 HB3 LEU 423 HB1 LEU 423 -5.587 -9.467 -11.441 50 HG LEU 423 HG LEU 423 -7.391 -10.882 -10.837 51 HD11 LEU 423 HD11 LEU 423 -7.988 -10.076 -8.617 52 HD12 LEU 423 HD12 LEU 423 -7.431 -8.460 -9.051 53 HD13 LEU 423 HD13 LEU 423 -6.282 -9.798 -8.972 54 HD21 LEU 423 HD21 LEU 423 -9.658 -10.067 -10.404 55 HD22 LEU 423 HD22 LEU 423 -9.180 -9.798 -12.080 56 HD23 LEU 423 HD23 LEU 423 -9.178 -8.456 -10.937 57 HA PRO 424 HA PRO 424 -2.843 -5.558 -12.005 58 HB2 PRO 424 HB2 PRO 424 -0.934 -6.953 -10.629 59 HB3 PRO 424 HB1 PRO 424 -1.878 -5.629 -9.937 60 HG2 PRO 424 HG2 PRO 424 -2.222 -8.569 -9.622 61 HG3 PRO 424 HG1 PRO 424 -2.447 -7.275 -8.435 62 HD2 PRO 424 HD2 PRO 424 -4.508 -8.507 -9.725 63 HD3 PRO 424 HD1 PRO 424 -4.582 -6.838 -9.131 64 H LYS 425 HN LYS 425 -0.711 -6.181 -12.977 65 HA LYS 425 HA LYS 425 -1.040 -7.648 -15.258 66 HB2 LYS 425 HB2 LYS 425 0.776 -6.024 -14.857 67 HB3 LYS 425 HB1 LYS 425 1.569 -7.194 -13.811 68 HG2 LYS 425 HG2 LYS 425 1.745 -8.735 -15.741 69 HG3 LYS 425 HG1 LYS 425 1.065 -7.472 -16.767 70 HD2 LYS 425 HD2 LYS 425 2.941 -5.993 -16.117 71 HD3 LYS 425 HD1 LYS 425 3.634 -7.327 -15.193 72 HE2 LYS 425 HE2 LYS 425 4.712 -7.179 -17.353 73 HE3 LYS 425 HE1 LYS 425 3.761 -8.661 -17.261 74 HZ1 LYS 425 HZ1 LYS 425 2.859 -6.148 -18.567 75 HZ2 LYS 425 HZ2 LYS 425 2.032 -7.626 -18.558 76 HZ3 LYS 425 HZ3 LYS 425 3.500 -7.485 -19.391 77 H GLY 426 HN GLY 426 -1.130 -9.681 -15.771 78 HA2 GLY 426 HA2 GLY 426 -0.578 -11.925 -15.837 79 HA3 GLY 426 HA1 GLY 426 0.499 -11.671 -14.480 80 H TRP 427 HN TRP 427 -2.554 -10.500 -13.658 81 HA TRP 427 HA TRP 427 -3.035 -13.009 -12.215 82 HB2 TRP 427 HB2 TRP 427 -3.798 -10.166 -11.619 83 HB3 TRP 427 HB1 TRP 427 -4.651 -11.508 -10.862 84 HD1 TRP 427 HD1 TRP 427 -1.183 -9.853 -10.951 85 HE1 TRP 427 HE1 TRP 427 0.124 -10.597 -8.859 86 HE3 TRP 427 HE3 TRP 427 -4.465 -13.330 -9.136 87 HZ2 TRP 427 HZ2 TRP 427 -0.195 -12.418 -6.726 88 HZ3 TRP 427 HZ3 TRP 427 -3.887 -14.529 -7.066 89 HH2 TRP 427 HH2 TRP 427 -1.794 -14.082 -5.886 90 H GLU 428 HN GLU 428 -4.657 -14.282 -12.747 91 HA GLU 428 HA GLU 428 -6.769 -13.230 -14.509 92 HB2 GLU 428 HB2 GLU 428 -5.061 -15.129 -15.179 93 HB3 GLU 428 HB1 GLU 428 -6.086 -16.131 -14.167 94 HG2 GLU 428 HG2 GLU 428 -6.916 -16.473 -16.291 95 HG3 GLU 428 HG1 GLU 428 -8.012 -15.262 -15.619 96 H VAL 429 HN VAL 429 -8.948 -14.260 -14.114 97 HA VAL 429 HA VAL 429 -9.168 -15.502 -11.479 98 HB VAL 429 HB VAL 429 -9.959 -13.217 -11.198 99 HG11 VAL 429 HG11 VAL 429 -11.831 -12.317 -12.481 100 HG12 VAL 429 HG12 VAL 429 -11.838 -13.765 -13.488 101 HG13 VAL 429 HG13 VAL 429 -10.451 -12.678 -13.517 102 HG21 VAL 429 HG21 VAL 429 -11.163 -14.944 -9.988 103 HG22 VAL 429 HG22 VAL 429 -12.253 -15.171 -11.354 104 HG23 VAL 429 HG23 VAL 429 -12.264 -13.651 -10.461 105 H ARG 430 HN ARG 430 -10.379 -17.314 -11.474 106 HA ARG 430 HA ARG 430 -11.778 -18.000 -13.977 107 HB2 ARG 430 HB2 ARG 430 -9.470 -19.055 -13.605 108 HB3 ARG 430 HB1 ARG 430 -10.227 -19.975 -12.316 109 HG2 ARG 430 HG2 ARG 430 -11.831 -20.877 -13.985 110 HG3 ARG 430 HG1 ARG 430 -10.910 -20.048 -15.244 111 HD2 ARG 430 HD2 ARG 430 -8.875 -21.279 -14.358 112 HD3 ARG 430 HD1 ARG 430 -9.999 -22.264 -13.427 113 HE ARG 430 HE ARG 430 -9.745 -22.208 -16.348 114 HH11 ARG 430 HH11 ARG 430 -11.168 -23.595 -13.477 115 HH12 ARG 430 HH12 ARG 430 -11.683 -25.052 -14.270 116 HH21 ARG 430 HH21 ARG 430 -10.398 -24.116 -17.402 117 HH22 ARG 430 HH22 ARG 430 -11.244 -25.348 -16.507 118 H HIS 431 HN HIS 431 -13.663 -19.094 -13.778 119 HA HIS 431 HA HIS 431 -14.887 -19.134 -11.143 120 HB2 HIS 431 HB2 HIS 431 -16.106 -18.409 -13.244 121 HB3 HIS 431 HB1 HIS 431 -16.070 -20.087 -13.765 122 HD1 HIS 431 HD1 HIS 431 -17.858 -21.618 -12.862 123 HD2 HIS 431 HD2 HIS 431 -17.756 -17.928 -10.941 124 HE1 HIS 431 HE1 HIS 431 -19.924 -21.544 -11.425 125 HE2 HIS 431 HE2 HIS 431 -19.911 -19.250 -10.379 126 H ALA 432 HN ALA 432 -14.557 -20.833 -9.830 127 HA ALA 432 HA ALA 432 -13.531 -23.311 -10.856 128 HB1 ALA 432 HB1 ALA 432 -13.556 -24.071 -8.537 129 HB2 ALA 432 HB2 ALA 432 -14.485 -22.648 -8.068 130 HB3 ALA 432 HB3 ALA 432 -12.833 -22.465 -8.660 131 HA PRO 433 HA PRO 433 -17.214 -25.623 -11.613 132 HB2 PRO 433 HB2 PRO 433 -16.543 -28.008 -10.368 133 HB3 PRO 433 HB1 PRO 433 -16.062 -27.550 -12.005 134 HG2 PRO 433 HG2 PRO 433 -14.521 -27.365 -9.454 135 HG3 PRO 433 HG1 PRO 433 -13.966 -27.838 -11.070 136 HD2 PRO 433 HD2 PRO 433 -13.446 -25.409 -10.081 137 HD3 PRO 433 HD1 PRO 433 -13.834 -25.638 -11.800 138 H ASN 434 HN ASN 434 -15.988 -25.234 -8.388 139 HA ASN 434 HA ASN 434 -18.323 -26.272 -7.065 140 HB2 ASN 434 HB2 ASN 434 -15.903 -24.745 -6.109 141 HB3 ASN 434 HB1 ASN 434 -17.251 -25.103 -5.039 142 HD21 ASN 434 HD21 ASN 434 -16.303 -27.311 -7.554 143 HD22 ASN 434 HD22 ASN 434 -15.632 -28.525 -6.516 144 H GLY 435 HN GLY 435 -17.562 -23.375 -8.642 145 HA2 GLY 435 HA2 GLY 435 -19.400 -21.859 -9.084 146 HA3 GLY 435 HA1 GLY 435 -19.939 -22.110 -7.430 147 H ARG 436 HN ARG 436 -17.098 -21.908 -6.501 148 HA ARG 436 HA ARG 436 -17.104 -19.034 -6.165 149 HB2 ARG 436 HB2 ARG 436 -16.002 -21.320 -4.767 150 HB3 ARG 436 HB1 ARG 436 -14.794 -20.059 -4.972 151 HG2 ARG 436 HG2 ARG 436 -17.502 -19.724 -3.696 152 HG3 ARG 436 HG1 ARG 436 -15.960 -19.847 -2.849 153 HD2 ARG 436 HD2 ARG 436 -16.939 -17.637 -4.641 154 HD3 ARG 436 HD1 ARG 436 -16.496 -17.541 -2.938 155 HE ARG 436 HE ARG 436 -14.631 -17.785 -5.200 156 HH11 ARG 436 HH11 ARG 436 -15.190 -17.184 -1.792 157 HH12 ARG 436 HH12 ARG 436 -13.605 -16.506 -1.534 158 HH21 ARG 436 HH21 ARG 436 -12.577 -16.909 -4.874 159 HH22 ARG 436 HH22 ARG 436 -12.114 -16.352 -3.292 160 HA PRO 437 HA PRO 437 -14.050 -18.431 -9.414 161 HB2 PRO 437 HB2 PRO 437 -13.988 -15.669 -8.446 162 HB3 PRO 437 HB1 PRO 437 -14.485 -16.281 -10.024 163 HG2 PRO 437 HG2 PRO 437 -16.246 -15.258 -8.254 164 HG3 PRO 437 HG1 PRO 437 -16.675 -16.569 -9.369 165 HD2 PRO 437 HD2 PRO 437 -15.959 -16.711 -6.459 166 HD3 PRO 437 HD1 PRO 437 -17.224 -17.585 -7.351 167 H PHE 438 HN PHE 438 -11.879 -18.603 -9.289 168 HA PHE 438 HA PHE 438 -10.552 -17.586 -6.871 169 HB2 PHE 438 HB2 PHE 438 -9.029 -19.492 -6.890 170 HB3 PHE 438 HB1 PHE 438 -10.692 -20.049 -6.765 171 HD1 PHE 438 HD2 PHE 438 -11.797 -21.028 -8.793 172 HD2 PHE 438 HD1 PHE 438 -7.635 -20.162 -8.653 173 HE1 PHE 438 HE2 PHE 438 -11.424 -22.529 -10.708 174 HE2 PHE 438 HE1 PHE 438 -7.255 -21.659 -10.568 175 HZ PHE 438 HZ PHE 438 -9.151 -22.845 -11.598 176 H PHE 439 HN PHE 439 -8.357 -16.929 -7.165 177 HA PHE 439 HA PHE 439 -7.986 -15.770 -9.817 178 HB2 PHE 439 HB2 PHE 439 -6.589 -15.172 -7.203 179 HB3 PHE 439 HB1 PHE 439 -6.378 -14.279 -8.708 180 HD1 PHE 439 HD2 PHE 439 -8.146 -12.829 -9.550 181 HD2 PHE 439 HD1 PHE 439 -8.566 -14.908 -5.862 182 HE1 PHE 439 HE2 PHE 439 -10.044 -11.382 -8.953 183 HE2 PHE 439 HE1 PHE 439 -10.466 -13.466 -5.260 184 HZ PHE 439 HZ PHE 439 -11.207 -11.701 -6.808 185 H ILE 440 HN ILE 440 -6.237 -16.092 -11.071 186 HA ILE 440 HA ILE 440 -4.294 -18.138 -10.197 187 HB ILE 440 HB ILE 440 -5.269 -17.729 -13.029 188 HG12 ILE 440 HG12 ILE 440 -6.017 -19.928 -11.087 189 HG13 ILE 440 HG11 ILE 440 -7.075 -18.611 -11.586 190 HG21 ILE 440 HG21 ILE 440 -3.578 -19.887 -11.771 191 HG22 ILE 440 HG22 ILE 440 -3.017 -18.621 -12.863 192 HG23 ILE 440 HG23 ILE 440 -4.125 -19.861 -13.446 193 HD11 ILE 440 HD11 ILE 440 -5.933 -20.730 -13.387 194 HD12 ILE 440 HD12 ILE 440 -6.992 -19.412 -13.883 195 HD13 ILE 440 HD13 ILE 440 -7.588 -20.655 -12.784 196 H ASP 441 HN ASP 441 -2.342 -17.197 -9.986 197 HA ASP 441 HA ASP 441 -1.743 -14.799 -11.514 198 HB2 ASP 441 HB2 ASP 441 -1.114 -14.715 -9.203 199 HB3 ASP 441 HB1 ASP 441 -0.239 -16.240 -9.328 200 H HIS 442 HN HIS 442 -0.903 -14.933 -13.435 201 HA HIS 442 HA HIS 442 0.269 -17.294 -14.512 202 HB2 HIS 442 HB2 HIS 442 0.088 -14.468 -15.548 203 HB3 HIS 442 HB1 HIS 442 0.808 -15.781 -16.464 204 HD1 HIS 442 HD1 HIS 442 -0.761 -17.384 -17.653 205 HD2 HIS 442 HD2 HIS 442 -2.746 -14.619 -15.265 206 HE1 HIS 442 HE1 HIS 442 -3.187 -17.562 -18.285 207 HE2 HIS 442 HE2 HIS 442 -4.303 -15.669 -17.050 208 H ASN 443 HN ASN 443 1.593 -14.802 -12.613 209 HA ASN 443 HA ASN 443 4.170 -14.714 -13.876 210 HB2 ASN 443 HB2 ASN 443 3.295 -13.714 -11.159 211 HB3 ASN 443 HB1 ASN 443 4.865 -13.401 -11.888 212 HD21 ASN 443 HD21 ASN 443 1.505 -12.611 -11.854 213 HD22 ASN 443 HD22 ASN 443 1.602 -11.262 -12.947 214 H THR 444 HN THR 444 3.096 -15.975 -10.695 215 HA THR 444 HA THR 444 5.549 -17.598 -10.653 216 HB THR 444 HB THR 444 5.067 -16.125 -8.688 217 HG1 THR 444 HG1 THR 444 5.371 -18.916 -8.492 218 HG21 THR 444 HG21 THR 444 2.632 -16.366 -8.655 219 HG22 THR 444 HG22 THR 444 3.341 -16.807 -7.102 220 HG23 THR 444 HG23 THR 444 2.805 -18.064 -8.216 221 H LYS 445 HN LYS 445 2.420 -17.908 -11.593 222 HA LYS 445 HA LYS 445 1.112 -19.659 -12.164 223 HB2 LYS 445 HB2 LYS 445 3.704 -21.083 -11.706 224 HB3 LYS 445 HB1 LYS 445 2.240 -22.015 -11.972 225 HG2 LYS 445 HG2 LYS 445 3.387 -21.780 -14.048 226 HG3 LYS 445 HG1 LYS 445 1.918 -20.806 -14.110 227 HD2 LYS 445 HD2 LYS 445 3.262 -18.798 -13.594 228 HD3 LYS 445 HD1 LYS 445 4.719 -19.797 -13.606 229 HE2 LYS 445 HE2 LYS 445 4.307 -20.387 -15.933 230 HE3 LYS 445 HE1 LYS 445 2.828 -19.428 -15.918 231 HZ1 LYS 445 HZ1 LYS 445 4.119 -17.445 -15.569 232 HZ2 LYS 445 HZ2 LYS 445 4.705 -18.253 -16.939 233 HZ3 LYS 445 HZ3 LYS 445 5.559 -18.336 -15.476 234 H THR 446 HN THR 446 0.099 -18.855 -10.071 235 HA THR 446 HA THR 446 -0.248 -21.211 -8.357 236 HB THR 446 HB THR 446 1.277 -19.630 -7.176 237 HG1 THR 446 HG1 THR 446 0.077 -19.696 -5.218 238 HG21 THR 446 HG21 THR 446 -1.128 -17.799 -7.207 239 HG22 THR 446 HG22 THR 446 0.400 -17.517 -8.039 240 HG23 THR 446 HG23 THR 446 0.346 -17.535 -6.277 241 H THR 447 HN THR 447 -2.278 -21.387 -7.350 242 HA THR 447 HA THR 447 -4.370 -19.618 -8.430 243 HB THR 447 HB THR 447 -5.899 -21.626 -8.128 244 HG1 THR 447 HG1 THR 447 -4.486 -23.662 -8.311 245 HG21 THR 447 HG21 THR 447 -5.078 -20.944 -10.333 246 HG22 THR 447 HG22 THR 447 -5.207 -22.700 -10.217 247 HG23 THR 447 HG23 THR 447 -3.629 -21.921 -10.098 248 H THR 448 HN THR 448 -5.638 -18.593 -6.933 249 HA THR 448 HA THR 448 -5.609 -19.625 -4.193 250 HB THR 448 HB THR 448 -3.759 -17.992 -4.384 251 HG1 THR 448 HG1 THR 448 -4.202 -17.240 -2.422 252 HG21 THR 448 HG21 THR 448 -5.967 -16.006 -4.943 253 HG22 THR 448 HG22 THR 448 -4.717 -16.509 -6.078 254 HG23 THR 448 HG23 THR 448 -4.279 -15.599 -4.631 255 H TRP 449 HN TRP 449 -7.172 -18.563 -2.776 256 HA TRP 449 HA TRP 449 -9.644 -17.976 -4.238 257 HB2 TRP 449 HB2 TRP 449 -9.194 -18.807 -1.365 258 HB3 TRP 449 HB1 TRP 449 -10.769 -18.480 -2.077 259 HD1 TRP 449 HD1 TRP 449 -8.243 -21.201 -1.630 260 HE1 TRP 449 HE1 TRP 449 -9.033 -23.331 -2.837 261 HE3 TRP 449 HE3 TRP 449 -12.110 -19.223 -4.322 262 HZ2 TRP 449 HZ2 TRP 449 -11.028 -24.075 -4.690 263 HZ3 TRP 449 HZ3 TRP 449 -13.409 -20.712 -5.788 264 HH2 TRP 449 HH2 TRP 449 -12.878 -23.089 -5.967 265 H GLU 450 HN GLU 450 -7.224 -16.328 -2.790 266 HA GLU 450 HA GLU 450 -8.975 -14.319 -1.534 267 HB2 GLU 450 HB2 GLU 450 -6.915 -13.501 -0.416 268 HB3 GLU 450 HB1 GLU 450 -7.319 -15.165 -0.008 269 HG2 GLU 450 HG2 GLU 450 -5.555 -16.033 -1.208 270 HG3 GLU 450 HG1 GLU 450 -5.417 -14.607 -2.237 271 H ASP 451 HN ASP 451 -9.272 -12.403 -2.540 272 HA ASP 451 HA ASP 451 -7.972 -11.680 -4.905 273 HB2 ASP 451 HB2 ASP 451 -10.112 -10.766 -4.529 274 HB3 ASP 451 HB1 ASP 451 -9.668 -10.158 -2.937 275 HA PRO 452 HA PRO 452 -4.350 -9.702 -3.212 276 HB2 PRO 452 HB2 PRO 452 -3.002 -9.590 -5.479 277 HB3 PRO 452 HB1 PRO 452 -3.419 -11.156 -4.776 278 HG2 PRO 452 HG2 PRO 452 -4.630 -9.746 -7.098 279 HG3 PRO 452 HG1 PRO 452 -4.390 -11.479 -6.838 280 HD2 PRO 452 HD2 PRO 452 -6.763 -9.992 -6.380 281 HD3 PRO 452 HD1 PRO 452 -6.459 -11.683 -5.935 282 H ARG 453 HN ARG 453 -6.820 -8.124 -4.489 283 HA ARG 453 HA ARG 453 -5.374 -5.755 -5.408 284 HB2 ARG 453 HB2 ARG 453 -8.313 -6.427 -5.283 285 HB3 ARG 453 HB1 ARG 453 -7.698 -4.858 -5.790 286 HG2 ARG 453 HG2 ARG 453 -6.704 -7.310 -7.153 287 HG3 ARG 453 HG1 ARG 453 -8.313 -6.699 -7.539 288 HD2 ARG 453 HD2 ARG 453 -6.729 -5.781 -9.095 289 HD3 ARG 453 HD1 ARG 453 -7.317 -4.498 -8.045 290 HE ARG 453 HE ARG 453 -4.898 -5.586 -7.035 291 HH11 ARG 453 HH11 ARG 453 -6.156 -3.529 -9.570 292 HH12 ARG 453 HH12 ARG 453 -4.703 -2.582 -9.710 293 HH21 ARG 453 HH21 ARG 453 -2.967 -4.368 -7.226 294 HH22 ARG 453 HH22 ARG 453 -2.880 -3.071 -8.387 295 H LEU 454 HN LEU 454 -7.450 -6.847 -2.778 296 HA LEU 454 HA LEU 454 -7.390 -4.252 -1.482 297 HB2 LEU 454 HB2 LEU 454 -8.678 -5.449 0.323 298 HB3 LEU 454 HB1 LEU 454 -9.441 -5.395 -1.252 299 HG LEU 454 HG LEU 454 -8.456 -7.763 -1.578 300 HD11 LEU 454 HD11 LEU 454 -8.345 -7.566 1.427 301 HD12 LEU 454 HD12 LEU 454 -6.966 -7.761 0.346 302 HD13 LEU 454 HD13 LEU 454 -8.169 -9.045 0.481 303 HD21 LEU 454 HD21 LEU 454 -10.826 -7.290 -1.365 304 HD22 LEU 454 HD22 LEU 454 -10.677 -7.257 0.392 305 HD23 LEU 454 HD23 LEU 454 -10.404 -8.761 -0.487 306 H LYS 455 HN LYS 455 -5.233 -6.637 -1.752 307 HA LYS 455 HA LYS 455 -3.780 -5.748 0.609 308 HB2 LYS 455 HB2 LYS 455 -3.417 -7.837 1.595 309 HB3 LYS 455 HB1 LYS 455 -5.123 -7.880 1.176 310 HG2 LYS 455 HG2 LYS 455 -4.684 -9.256 -0.735 311 HG3 LYS 455 HG1 LYS 455 -2.941 -9.087 -0.512 312 HD2 LYS 455 HD2 LYS 455 -3.431 -11.189 0.395 313 HD3 LYS 455 HD1 LYS 455 -3.328 -10.127 1.800 314 HE2 LYS 455 HE2 LYS 455 -5.246 -11.480 2.112 315 HE3 LYS 455 HE1 LYS 455 -5.829 -9.880 1.651 316 HZ1 LYS 455 HZ1 LYS 455 -5.511 -12.175 -0.208 317 HZ2 LYS 455 HZ2 LYS 455 -6.165 -10.657 -0.595 318 HZ3 LYS 455 HZ3 LYS 455 -6.985 -11.682 0.481 319 H ILE 456 HN ILE 456 -1.478 -6.743 0.574 320 HA ILE 456 HA ILE 456 -0.503 -6.520 -2.156 321 HB ILE 456 HB ILE 456 1.066 -6.898 0.410 322 HG12 ILE 456 HG12 ILE 456 -0.192 -4.806 0.482 323 HG13 ILE 456 HG11 ILE 456 1.520 -4.472 0.266 324 HG21 ILE 456 HG21 ILE 456 2.308 -7.577 -1.568 325 HG22 ILE 456 HG22 ILE 456 2.976 -6.087 -0.903 326 HG23 ILE 456 HG23 ILE 456 1.957 -6.030 -2.341 327 HD11 ILE 456 HD11 ILE 456 1.144 -4.087 -2.113 328 HD12 ILE 456 HD12 ILE 456 0.153 -3.019 -1.117 329 HD13 ILE 456 HD13 ILE 456 -0.572 -4.427 -1.895 330 HA PRO 457 HA PRO 457 -0.900 -10.920 -2.751 331 HB2 PRO 457 HB2 PRO 457 1.170 -10.354 -4.815 332 HB3 PRO 457 HB1 PRO 457 -0.371 -11.207 -4.965 333 HG2 PRO 457 HG2 PRO 457 -0.099 -8.726 -5.892 334 HG3 PRO 457 HG1 PRO 457 -1.598 -9.245 -5.097 335 HD2 PRO 457 HD2 PRO 457 0.613 -7.534 -4.048 336 HD3 PRO 457 HD1 PRO 457 -1.136 -7.424 -3.758 337 H ALA 458 HN ALA 458 0.018 -12.220 -1.307 338 HA ALA 458 HA ALA 458 2.867 -12.053 -0.738 339 HB1 ALA 458 HB1 ALA 458 1.285 -12.288 1.110 340 HB2 ALA 458 HB2 ALA 458 2.394 -13.656 1.040 341 HB3 ALA 458 HB3 ALA 458 0.740 -13.830 0.453 342 H1 THR 638 HN THR 638 -15.996 -28.409 -0.729 343 HA THR 638 HA THR 638 -15.434 -26.142 -2.352 344 HB THR 638 HB THR 638 -14.528 -25.879 0.515 345 HG1 THR 638 HG1 THR 638 -16.945 -25.604 -0.194 346 HG21 THR 638 HG21 THR 638 -14.558 -23.923 -1.792 347 HG22 THR 638 HG22 THR 638 -13.134 -24.759 -1.171 348 HG23 THR 638 HG23 THR 638 -13.984 -23.589 -0.159 349 H ALA 639 HN ALA 639 -14.128 -27.456 -3.541 350 HA ALA 639 HA ALA 639 -11.891 -28.782 -2.173 351 HB1 ALA 639 HB1 ALA 639 -11.622 -30.082 -4.226 352 HB2 ALA 639 HB2 ALA 639 -12.932 -29.173 -4.980 353 HB3 ALA 639 HB3 ALA 639 -13.266 -30.219 -3.600 354 HA PRO 640 HA PRO 640 -9.053 -25.698 -3.623 355 HB2 PRO 640 HB2 PRO 640 -7.094 -27.914 -3.736 356 HB3 PRO 640 HB1 PRO 640 -7.032 -26.409 -2.814 357 HG2 PRO 640 HG2 PRO 640 -7.491 -28.756 -1.619 358 HG3 PRO 640 HG1 PRO 640 -8.291 -27.268 -1.076 359 HD2 PRO 640 HD2 PRO 640 -9.375 -29.516 -2.729 360 HD3 PRO 640 HD1 PRO 640 -10.165 -28.570 -1.450 361 HA PRO 641 HA PRO 641 -9.188 -26.420 -7.992 362 HB2 PRO 641 HB2 PRO 641 -7.712 -24.293 -8.799 363 HB3 PRO 641 HB1 PRO 641 -9.365 -24.133 -8.198 364 HG2 PRO 641 HG2 PRO 641 -6.782 -23.670 -6.763 365 HG3 PRO 641 HG1 PRO 641 -8.269 -22.704 -6.728 366 HD2 PRO 641 HD2 PRO 641 -7.605 -24.459 -4.766 367 HD3 PRO 641 HD1 PRO 641 -9.286 -24.096 -5.206 368 HA PRO 642 HA PRO 642 -5.515 -28.729 -8.878 369 HB2 PRO 642 HB2 PRO 642 -5.685 -28.668 -11.626 370 HB3 PRO 642 HB1 PRO 642 -6.587 -29.782 -10.593 371 HG2 PRO 642 HG2 PRO 642 -7.473 -27.231 -11.861 372 HG3 PRO 642 HG1 PRO 642 -8.361 -28.754 -11.660 373 HD2 PRO 642 HD2 PRO 642 -8.798 -26.619 -10.072 374 HD3 PRO 642 HD1 PRO 642 -8.915 -28.283 -9.466 375 H ALA 643 HN ALA 643 -3.515 -28.566 -10.234 376 HA ALA 643 HA ALA 643 -2.355 -25.992 -9.881 377 HB1 ALA 643 HB1 ALA 643 -1.082 -28.057 -9.589 378 HB2 ALA 643 HB2 ALA 643 -0.332 -27.005 -10.791 379 HB3 ALA 643 HB3 ALA 643 -1.262 -28.414 -11.305 380 H TYR 644 HN TYR 644 -1.469 -24.609 -11.452 381 HA TYR 644 HA TYR 644 -3.125 -24.035 -13.637 382 HB2 TYR 644 HB2 TYR 644 -1.710 -22.372 -12.521 383 HB3 TYR 644 HB1 TYR 644 -0.268 -23.185 -13.113 384 HD1 TYR 644 HD2 TYR 644 -3.341 -21.439 -14.299 385 HD2 TYR 644 HD1 TYR 644 0.675 -22.555 -15.145 386 HE1 TYR 644 HE2 TYR 644 -3.387 -20.046 -16.324 387 HE2 TYR 644 HE1 TYR 644 0.640 -21.165 -17.171 388 HH TYR 644 HH TYR 644 -1.096 -20.262 -18.759 389 H ALA 645 HN ALA 645 -0.462 -26.188 -13.333 390 HA ALA 645 HA ALA 645 0.373 -26.264 -16.041 391 HB1 ALA 645 HB1 ALA 645 1.798 -26.975 -14.175 392 HB2 ALA 645 HB2 ALA 645 1.638 -28.231 -15.405 393 HB3 ALA 645 HB3 ALA 645 0.731 -28.354 -13.895 394 H THR 646 HN THR 646 -2.334 -27.653 -14.427 395 HA THR 646 HA THR 646 -2.782 -29.415 -16.748 396 HB THR 646 HB THR 646 -2.595 -30.629 -14.578 397 HG1 THR 646 HG1 THR 646 -3.862 -31.895 -15.710 398 HG21 THR 646 HG21 THR 646 -5.109 -29.113 -13.863 399 HG22 THR 646 HG22 THR 646 -3.535 -28.944 -13.085 400 HG23 THR 646 HG23 THR 646 -4.428 -30.458 -12.948 401 H LEU 647 HN LEU 647 -3.587 -26.511 -15.533 402 HA LEU 647 HA LEU 647 -6.434 -26.570 -16.053 403 HB2 LEU 647 HB2 LEU 647 -4.519 -24.390 -15.261 404 HB3 LEU 647 HB1 LEU 647 -6.194 -24.062 -15.655 405 HG LEU 647 HG LEU 647 -5.239 -25.846 -13.418 406 HD11 LEU 647 HD11 LEU 647 -6.477 -23.096 -13.359 407 HD12 LEU 647 HD12 LEU 647 -4.796 -23.485 -12.995 408 HD13 LEU 647 HD13 LEU 647 -6.084 -24.087 -11.954 409 HD21 LEU 647 HD21 LEU 647 -7.583 -25.895 -12.741 410 HD22 LEU 647 HD22 LEU 647 -7.374 -26.578 -14.353 411 HD23 LEU 647 HD23 LEU 647 -8.022 -24.948 -14.164 412 H GLY 648 HN GLY 648 -3.705 -26.379 -17.931 413 HA2 GLY 648 HA2 GLY 648 -5.043 -24.729 -19.979 414 HA3 GLY 648 HA1 GLY 648 -3.309 -25.002 -19.887 Start of MODEL 6 1 H1 GLY 416 HT1 GLY 416 -15.779 -3.426 3.075 2 H2 GLY 416 HT2 GLY 416 -15.811 -4.703 1.961 3 H3 GLY 416 HT3 GLY 416 -15.506 -3.120 1.433 4 HA2 GLY 416 HA1 GLY 416 -13.441 -3.073 2.700 5 HA3 GLY 416 HA2 GLY 416 -13.751 -4.729 3.204 6 H SER 417 HN SER 417 -14.271 -3.258 0.024 7 HA SER 417 HA SER 417 -12.110 -4.921 -1.052 8 HB2 SER 417 HB2 SER 417 -13.682 -5.431 -3.003 9 HB3 SER 417 HB1 SER 417 -14.028 -6.260 -1.485 10 HG SER 417 HG SER 417 -15.753 -4.976 -2.808 11 H MET 418 HN MET 418 -11.990 -4.307 -3.583 12 HA MET 418 HA MET 418 -11.788 -1.373 -3.591 13 HB2 MET 418 HB2 MET 418 -10.309 -3.418 -5.253 14 HB3 MET 418 HB1 MET 418 -10.096 -1.675 -5.369 15 HG2 MET 418 HG2 MET 418 -9.506 -3.379 -2.959 16 HG3 MET 418 HG1 MET 418 -8.320 -2.698 -4.070 17 HE1 MET 418 HE1 MET 418 -7.783 -0.110 -4.268 18 HE2 MET 418 HE2 MET 418 -8.666 1.142 -3.391 19 HE3 MET 418 HE3 MET 418 -9.482 0.194 -4.635 20 H GLU 419 HN GLU 419 -12.371 -0.185 -5.372 21 HA GLU 419 HA GLU 419 -14.638 -1.272 -6.827 22 HB2 GLU 419 HB2 GLU 419 -14.881 1.114 -7.626 23 HB3 GLU 419 HB1 GLU 419 -15.030 0.872 -5.892 24 HG2 GLU 419 HG2 GLU 419 -12.424 1.700 -7.121 25 HG3 GLU 419 HG1 GLU 419 -13.682 2.879 -6.754 26 H GLN 420 HN GLN 420 -12.269 -2.448 -7.610 27 HA GLN 420 HA GLN 420 -12.068 -1.498 -10.382 28 HB2 GLN 420 HB2 GLN 420 -10.023 -0.839 -9.099 29 HB3 GLN 420 HB1 GLN 420 -9.738 -2.538 -8.750 30 HG2 GLN 420 HG2 GLN 420 -8.349 -1.762 -10.589 31 HG3 GLN 420 HG1 GLN 420 -9.483 -3.007 -11.119 32 HE21 GLN 420 HE21 GLN 420 -8.610 0.351 -11.318 33 HE22 GLN 420 HE22 GLN 420 -9.667 0.756 -12.628 34 H GLY 421 HN GLY 421 -13.083 -3.051 -11.500 35 HA2 GLY 421 HA2 GLY 421 -13.165 -5.766 -10.492 36 HA3 GLY 421 HA1 GLY 421 -14.018 -5.142 -11.891 37 H PHE 422 HN PHE 422 -10.652 -4.489 -11.793 38 HA PHE 422 HA PHE 422 -10.209 -6.674 -13.709 39 HB2 PHE 422 HB2 PHE 422 -9.031 -3.892 -13.655 40 HB3 PHE 422 HB1 PHE 422 -8.380 -5.191 -14.649 41 HD1 PHE 422 HD1 PHE 422 -9.800 -6.199 -16.423 42 HD2 PHE 422 HD2 PHE 422 -10.944 -2.687 -14.313 43 HE1 PHE 422 HE1 PHE 422 -11.422 -5.670 -18.193 44 HE2 PHE 422 HE2 PHE 422 -12.572 -2.151 -16.079 45 HZ PHE 422 HZ PHE 422 -12.812 -3.646 -18.023 46 H LEU 423 HN LEU 423 -8.338 -7.872 -13.556 47 HA LEU 423 HA LEU 423 -7.143 -7.888 -10.919 48 HB2 LEU 423 HB2 LEU 423 -6.959 -9.762 -13.266 49 HB3 LEU 423 HB1 LEU 423 -5.981 -9.962 -11.826 50 HG LEU 423 HG LEU 423 -7.788 -11.443 -11.579 51 HD11 LEU 423 HD11 LEU 423 -9.003 -10.588 -9.643 52 HD12 LEU 423 HD12 LEU 423 -8.448 -8.956 -10.015 53 HD13 LEU 423 HD13 LEU 423 -7.285 -10.201 -9.559 54 HD21 LEU 423 HD21 LEU 423 -9.247 -10.558 -13.315 55 HD22 LEU 423 HD22 LEU 423 -9.643 -9.175 -12.296 56 HD23 LEU 423 HD23 LEU 423 -10.136 -10.797 -11.813 57 HA PRO 424 HA PRO 424 -3.486 -5.683 -11.976 58 HB2 PRO 424 HB2 PRO 424 -1.783 -6.842 -10.159 59 HB3 PRO 424 HB1 PRO 424 -2.950 -5.577 -9.765 60 HG2 PRO 424 HG2 PRO 424 -3.160 -8.536 -9.390 61 HG3 PRO 424 HG1 PRO 424 -3.665 -7.227 -8.303 62 HD2 PRO 424 HD2 PRO 424 -5.427 -8.566 -9.833 63 HD3 PRO 424 HD1 PRO 424 -5.619 -6.838 -9.470 64 H LYS 425 HN LYS 425 -1.158 -6.066 -12.447 65 HA LYS 425 HA LYS 425 -0.697 -7.523 -14.671 66 HB2 LYS 425 HB2 LYS 425 0.837 -5.846 -13.785 67 HB3 LYS 425 HB1 LYS 425 1.298 -6.935 -12.485 68 HG2 LYS 425 HG2 LYS 425 1.972 -8.531 -14.422 69 HG3 LYS 425 HG1 LYS 425 1.980 -7.052 -15.385 70 HD2 LYS 425 HD2 LYS 425 3.552 -7.521 -12.856 71 HD3 LYS 425 HD1 LYS 425 4.200 -7.563 -14.493 72 HE2 LYS 425 HE2 LYS 425 3.681 -5.217 -14.792 73 HE3 LYS 425 HE1 LYS 425 2.908 -5.162 -13.206 74 HZ1 LYS 425 HZ1 LYS 425 5.174 -4.272 -13.174 75 HZ2 LYS 425 HZ2 LYS 425 5.779 -5.774 -13.678 76 HZ3 LYS 425 HZ3 LYS 425 5.016 -5.630 -12.171 77 H GLY 426 HN GLY 426 -0.784 -9.611 -15.142 78 HA2 GLY 426 HA2 GLY 426 -0.006 -11.794 -15.112 79 HA3 GLY 426 HA1 GLY 426 0.772 -11.471 -13.578 80 H TRP 427 HN TRP 427 -2.306 -10.488 -13.051 81 HA TRP 427 HA TRP 427 -2.921 -13.085 -11.861 82 HB2 TRP 427 HB2 TRP 427 -3.953 -10.305 -11.317 83 HB3 TRP 427 HB1 TRP 427 -4.676 -11.743 -10.603 84 HD1 TRP 427 HD1 TRP 427 -1.507 -9.599 -10.448 85 HE1 TRP 427 HE1 TRP 427 -0.189 -10.221 -8.321 86 HE3 TRP 427 HE3 TRP 427 -4.259 -13.632 -8.950 87 HZ2 TRP 427 HZ2 TRP 427 -0.307 -12.170 -6.285 88 HZ3 TRP 427 HZ3 TRP 427 -3.590 -14.825 -6.905 89 HH2 TRP 427 HH2 TRP 427 -1.656 -14.107 -5.600 90 H GLU 428 HN GLU 428 -4.648 -14.304 -12.399 91 HA GLU 428 HA GLU 428 -6.542 -13.265 -14.404 92 HB2 GLU 428 HB2 GLU 428 -4.630 -15.054 -15.030 93 HB3 GLU 428 HB1 GLU 428 -5.801 -16.158 -14.325 94 HG2 GLU 428 HG2 GLU 428 -6.331 -16.224 -16.558 95 HG3 GLU 428 HG1 GLU 428 -7.472 -15.024 -15.937 96 H VAL 429 HN VAL 429 -8.671 -14.619 -14.289 97 HA VAL 429 HA VAL 429 -8.952 -15.853 -11.643 98 HB VAL 429 HB VAL 429 -10.005 -13.654 -11.566 99 HG11 VAL 429 HG11 VAL 429 -11.683 -14.601 -13.875 100 HG12 VAL 429 HG12 VAL 429 -10.464 -13.328 -13.916 101 HG13 VAL 429 HG13 VAL 429 -11.933 -13.112 -12.964 102 HG21 VAL 429 HG21 VAL 429 -12.260 -14.333 -10.878 103 HG22 VAL 429 HG22 VAL 429 -11.019 -15.432 -10.274 104 HG23 VAL 429 HG23 VAL 429 -12.014 -15.899 -11.655 105 H ARG 430 HN ARG 430 -9.982 -17.728 -11.578 106 HA ARG 430 HA ARG 430 -10.934 -18.863 -14.120 107 HB2 ARG 430 HB2 ARG 430 -8.793 -19.751 -12.893 108 HB3 ARG 430 HB1 ARG 430 -9.953 -20.560 -11.852 109 HG2 ARG 430 HG2 ARG 430 -9.111 -22.001 -13.666 110 HG3 ARG 430 HG1 ARG 430 -10.853 -21.786 -13.740 111 HD2 ARG 430 HD2 ARG 430 -10.537 -20.055 -15.471 112 HD3 ARG 430 HD1 ARG 430 -8.799 -20.362 -15.426 113 HE ARG 430 HE ARG 430 -9.856 -22.817 -15.900 114 HH11 ARG 430 HH11 ARG 430 -10.263 -19.702 -17.467 115 HH12 ARG 430 HH12 ARG 430 -10.558 -20.397 -19.028 116 HH21 ARG 430 HH21 ARG 430 -10.249 -23.718 -17.937 117 HH22 ARG 430 HH22 ARG 430 -10.543 -22.687 -19.307 118 H HIS 431 HN HIS 431 -11.861 -21.249 -12.457 119 HA HIS 431 HA HIS 431 -14.255 -20.238 -11.267 120 HB2 HIS 431 HB2 HIS 431 -14.706 -19.989 -13.732 121 HB3 HIS 431 HB1 HIS 431 -14.563 -21.738 -13.876 122 HD1 HIS 431 HD1 HIS 431 -16.724 -22.936 -13.751 123 HD2 HIS 431 HD2 HIS 431 -16.833 -19.304 -11.721 124 HE1 HIS 431 HE1 HIS 431 -19.091 -22.681 -12.935 125 HE2 HIS 431 HE2 HIS 431 -19.177 -20.389 -11.879 126 H ALA 432 HN ALA 432 -14.480 -21.573 -9.619 127 HA ALA 432 HA ALA 432 -13.534 -24.309 -9.760 128 HB1 ALA 432 HB1 ALA 432 -14.116 -24.398 -7.375 129 HB2 ALA 432 HB2 ALA 432 -14.852 -22.799 -7.494 130 HB3 ALA 432 HB3 ALA 432 -13.116 -22.992 -7.741 131 HA PRO 433 HA PRO 433 -17.310 -26.399 -10.655 132 HB2 PRO 433 HB2 PRO 433 -17.366 -28.362 -8.724 133 HB3 PRO 433 HB1 PRO 433 -16.386 -28.431 -10.193 134 HG2 PRO 433 HG2 PRO 433 -15.595 -27.609 -7.425 135 HG3 PRO 433 HG1 PRO 433 -14.717 -28.623 -8.587 136 HD2 PRO 433 HD2 PRO 433 -14.053 -26.061 -8.215 137 HD3 PRO 433 HD1 PRO 433 -14.005 -26.793 -9.833 138 H ASN 434 HN ASN 434 -16.870 -24.990 -7.549 139 HA ASN 434 HA ASN 434 -19.635 -25.450 -6.738 140 HB2 ASN 434 HB2 ASN 434 -17.538 -23.785 -5.328 141 HB3 ASN 434 HB1 ASN 434 -19.045 -24.395 -4.651 142 HD21 ASN 434 HD21 ASN 434 -19.220 -26.608 -4.162 143 HD22 ASN 434 HD22 ASN 434 -17.809 -27.599 -3.972 144 H GLY 435 HN GLY 435 -18.207 -23.466 -8.857 145 HA2 GLY 435 HA2 GLY 435 -19.117 -21.630 -9.960 146 HA3 GLY 435 HA1 GLY 435 -20.335 -21.502 -8.695 147 H ARG 436 HN ARG 436 -17.126 -21.787 -7.629 148 HA ARG 436 HA ARG 436 -17.139 -18.979 -6.799 149 HB2 ARG 436 HB2 ARG 436 -15.668 -21.406 -5.770 150 HB3 ARG 436 HB1 ARG 436 -15.315 -19.770 -5.225 151 HG2 ARG 436 HG2 ARG 436 -18.038 -21.029 -5.028 152 HG3 ARG 436 HG1 ARG 436 -16.830 -21.092 -3.742 153 HD2 ARG 436 HD2 ARG 436 -17.909 -18.557 -4.966 154 HD3 ARG 436 HD1 ARG 436 -18.477 -19.261 -3.452 155 HE ARG 436 HE ARG 436 -15.830 -18.058 -3.927 156 HH11 ARG 436 HH11 ARG 436 -18.242 -19.357 -1.752 157 HH12 ARG 436 HH12 ARG 436 -17.431 -18.833 -0.311 158 HH21 ARG 436 HH21 ARG 436 -14.759 -17.337 -2.044 159 HH22 ARG 436 HH22 ARG 436 -15.446 -17.661 -0.477 160 HA PRO 437 HA PRO 437 -13.782 -18.372 -9.662 161 HB2 PRO 437 HB2 PRO 437 -13.458 -15.742 -9.295 162 HB3 PRO 437 HB1 PRO 437 -14.890 -16.381 -10.105 163 HG2 PRO 437 HG2 PRO 437 -14.578 -15.393 -7.309 164 HG3 PRO 437 HG1 PRO 437 -15.936 -15.185 -8.429 165 HD2 PRO 437 HD2 PRO 437 -15.814 -17.068 -6.390 166 HD3 PRO 437 HD1 PRO 437 -16.890 -17.151 -7.795 167 H PHE 438 HN PHE 438 -11.687 -18.804 -9.342 168 HA PHE 438 HA PHE 438 -10.398 -17.683 -6.955 169 HB2 PHE 438 HB2 PHE 438 -8.835 -19.631 -7.001 170 HB3 PHE 438 HB1 PHE 438 -10.495 -20.056 -6.618 171 HD1 PHE 438 HD1 PHE 438 -7.876 -20.188 -9.196 172 HD2 PHE 438 HD2 PHE 438 -11.731 -21.536 -8.008 173 HE1 PHE 438 HE1 PHE 438 -7.808 -21.909 -10.948 174 HE2 PHE 438 HE2 PHE 438 -11.669 -23.261 -9.762 175 HZ PHE 438 HZ PHE 438 -9.706 -23.449 -11.234 176 H PHE 439 HN PHE 439 -8.180 -17.070 -7.210 177 HA PHE 439 HA PHE 439 -7.777 -15.992 -9.895 178 HB2 PHE 439 HB2 PHE 439 -6.470 -15.172 -7.295 179 HB3 PHE 439 HB1 PHE 439 -6.374 -14.320 -8.835 180 HD1 PHE 439 HD2 PHE 439 -8.390 -13.198 -9.747 181 HD2 PHE 439 HD1 PHE 439 -8.332 -14.924 -5.858 182 HE1 PHE 439 HE2 PHE 439 -10.402 -11.914 -9.149 183 HE2 PHE 439 HE1 PHE 439 -10.343 -13.644 -5.256 184 HZ PHE 439 HZ PHE 439 -11.380 -12.135 -6.901 185 H ILE 440 HN ILE 440 -5.959 -16.274 -11.053 186 HA ILE 440 HA ILE 440 -3.960 -18.176 -9.996 187 HB ILE 440 HB ILE 440 -4.717 -17.837 -12.900 188 HG12 ILE 440 HG12 ILE 440 -5.578 -20.058 -11.039 189 HG13 ILE 440 HG11 ILE 440 -6.615 -18.724 -11.537 190 HG21 ILE 440 HG21 ILE 440 -3.507 -19.951 -13.183 191 HG22 ILE 440 HG22 ILE 440 -3.121 -19.953 -11.462 192 HG23 ILE 440 HG23 ILE 440 -2.473 -18.690 -12.509 193 HD11 ILE 440 HD11 ILE 440 -7.066 -20.715 -12.845 194 HD12 ILE 440 HD12 ILE 440 -5.380 -20.778 -13.357 195 HD13 ILE 440 HD13 ILE 440 -6.405 -19.435 -13.862 196 H ASP 441 HN ASP 441 -1.963 -17.316 -9.839 197 HA ASP 441 HA ASP 441 -1.423 -14.801 -11.208 198 HB2 ASP 441 HB2 ASP 441 -0.950 -14.767 -8.864 199 HB3 ASP 441 HB1 ASP 441 -0.027 -16.263 -8.968 200 H HIS 442 HN HIS 442 -0.332 -14.756 -13.022 201 HA HIS 442 HA HIS 442 0.953 -17.095 -14.091 202 HB2 HIS 442 HB2 HIS 442 0.796 -14.256 -15.121 203 HB3 HIS 442 HB1 HIS 442 1.529 -15.581 -16.004 204 HD1 HIS 442 HD1 HIS 442 -0.003 -16.989 -17.422 205 HD2 HIS 442 HD2 HIS 442 -2.070 -14.491 -14.817 206 HE1 HIS 442 HE1 HIS 442 -2.410 -17.134 -18.109 207 HE2 HIS 442 HE2 HIS 442 -3.573 -15.384 -16.723 208 H ASN 443 HN ASN 443 1.993 -14.538 -12.093 209 HA ASN 443 HA ASN 443 4.627 -14.228 -13.158 210 HB2 ASN 443 HB2 ASN 443 3.564 -13.447 -10.435 211 HB3 ASN 443 HB1 ASN 443 5.105 -12.939 -11.114 212 HD21 ASN 443 HD21 ASN 443 1.716 -12.410 -11.002 213 HD22 ASN 443 HD22 ASN 443 1.682 -11.030 -12.058 214 H THR 444 HN THR 444 3.471 -15.735 -10.127 215 HA THR 444 HA THR 444 6.065 -17.121 -9.954 216 HB THR 444 HB THR 444 5.401 -15.704 -8.024 217 HG1 THR 444 HG1 THR 444 6.326 -18.183 -7.965 218 HG21 THR 444 HG21 THR 444 3.626 -16.473 -6.519 219 HG22 THR 444 HG22 THR 444 3.193 -17.730 -7.677 220 HG23 THR 444 HG23 THR 444 2.989 -16.032 -8.102 221 H LYS 445 HN LYS 445 3.297 -17.750 -11.345 222 HA LYS 445 HA LYS 445 2.215 -19.636 -12.042 223 HB2 LYS 445 HB2 LYS 445 4.321 -21.349 -10.761 224 HB3 LYS 445 HB1 LYS 445 3.433 -21.625 -12.247 225 HG2 LYS 445 HG2 LYS 445 5.252 -19.296 -12.184 226 HG3 LYS 445 HG1 LYS 445 5.990 -20.894 -12.183 227 HD2 LYS 445 HD2 LYS 445 5.851 -20.302 -14.441 228 HD3 LYS 445 HD1 LYS 445 4.490 -21.394 -14.188 229 HE2 LYS 445 HE2 LYS 445 2.940 -19.623 -14.196 230 HE3 LYS 445 HE1 LYS 445 4.207 -18.411 -14.007 231 HZ1 LYS 445 HZ1 LYS 445 3.397 -18.457 -16.276 232 HZ2 LYS 445 HZ2 LYS 445 3.772 -20.108 -16.408 233 HZ3 LYS 445 HZ3 LYS 445 5.015 -18.969 -16.222 234 H THR 446 HN THR 446 0.992 -18.730 -9.846 235 HA THR 446 HA THR 446 0.488 -21.183 -8.310 236 HB THR 446 HB THR 446 1.991 -19.621 -7.005 237 HG1 THR 446 HG1 THR 446 0.912 -21.028 -5.725 238 HG21 THR 446 HG21 THR 446 0.995 -17.499 -7.701 239 HG22 THR 446 HG22 THR 446 0.942 -17.668 -5.949 240 HG23 THR 446 HG23 THR 446 -0.515 -17.935 -6.904 241 H THR 447 HN THR 447 -1.564 -21.112 -7.100 242 HA THR 447 HA THR 447 -3.556 -19.306 -8.304 243 HB THR 447 HB THR 447 -4.109 -22.187 -7.587 244 HG1 THR 447 HG1 THR 447 -2.808 -21.155 -9.767 245 HG21 THR 447 HG21 THR 447 -5.569 -20.217 -9.344 246 HG22 THR 447 HG22 THR 447 -6.039 -20.683 -7.708 247 HG23 THR 447 HG23 THR 447 -6.067 -21.877 -9.007 248 H THR 448 HN THR 448 -5.114 -18.506 -6.846 249 HA THR 448 HA THR 448 -5.182 -19.599 -4.153 250 HB THR 448 HB THR 448 -3.286 -18.067 -4.004 251 HG1 THR 448 HG1 THR 448 -3.995 -17.512 -2.087 252 HG21 THR 448 HG21 THR 448 -3.871 -16.551 -5.829 253 HG22 THR 448 HG22 THR 448 -3.579 -15.658 -4.336 254 HG23 THR 448 HG23 THR 448 -5.232 -15.933 -4.890 255 H TRP 449 HN TRP 449 -6.744 -18.419 -2.771 256 HA TRP 449 HA TRP 449 -9.097 -17.637 -4.331 257 HB2 TRP 449 HB2 TRP 449 -8.822 -18.491 -1.437 258 HB3 TRP 449 HB1 TRP 449 -10.338 -18.046 -2.212 259 HD1 TRP 449 HD1 TRP 449 -7.839 -20.896 -1.938 260 HE1 TRP 449 HE1 TRP 449 -8.823 -22.988 -3.072 261 HE3 TRP 449 HE3 TRP 449 -11.935 -18.767 -4.140 262 HZ2 TRP 449 HZ2 TRP 449 -11.042 -23.642 -4.692 263 HZ3 TRP 449 HZ3 TRP 449 -13.438 -20.196 -5.468 264 HH2 TRP 449 HH2 TRP 449 -12.998 -22.585 -5.736 265 H GLU 450 HN GLU 450 -6.561 -16.281 -2.761 266 HA GLU 450 HA GLU 450 -7.936 -14.208 -1.317 267 HB2 GLU 450 HB2 GLU 450 -5.044 -14.678 -1.970 268 HB3 GLU 450 HB1 GLU 450 -5.598 -13.218 -1.158 269 HG2 GLU 450 HG2 GLU 450 -5.903 -16.043 -0.172 270 HG3 GLU 450 HG1 GLU 450 -4.804 -14.810 0.438 271 H ASP 451 HN ASP 451 -7.908 -12.021 -1.777 272 HA ASP 451 HA ASP 451 -8.009 -11.480 -4.658 273 HB2 ASP 451 HB2 ASP 451 -9.996 -11.046 -3.122 274 HB3 ASP 451 HB1 ASP 451 -9.061 -9.710 -2.456 275 HA PRO 452 HA PRO 452 -4.150 -9.327 -3.943 276 HB2 PRO 452 HB2 PRO 452 -3.545 -8.898 -6.532 277 HB3 PRO 452 HB1 PRO 452 -3.386 -10.488 -5.776 278 HG2 PRO 452 HG2 PRO 452 -5.590 -9.430 -7.504 279 HG3 PRO 452 HG1 PRO 452 -4.794 -11.014 -7.553 280 HD2 PRO 452 HD2 PRO 452 -7.202 -10.600 -6.353 281 HD3 PRO 452 HD1 PRO 452 -6.052 -11.840 -5.816 282 H ARG 453 HN ARG 453 -7.069 -8.040 -5.216 283 HA ARG 453 HA ARG 453 -5.983 -5.444 -5.825 284 HB2 ARG 453 HB2 ARG 453 -8.841 -6.365 -5.513 285 HB3 ARG 453 HB1 ARG 453 -8.335 -4.809 -6.157 286 HG2 ARG 453 HG2 ARG 453 -7.387 -5.815 -8.081 287 HG3 ARG 453 HG1 ARG 453 -7.545 -7.433 -7.392 288 HD2 ARG 453 HD2 ARG 453 -9.841 -5.606 -8.089 289 HD3 ARG 453 HD1 ARG 453 -9.274 -6.950 -9.081 290 HE ARG 453 HE ARG 453 -9.791 -8.041 -6.607 291 HH11 ARG 453 HH11 ARG 453 -11.659 -6.241 -8.964 292 HH12 ARG 453 HH12 ARG 453 -13.150 -7.045 -8.572 293 HH21 ARG 453 HH21 ARG 453 -11.738 -9.092 -6.100 294 HH22 ARG 453 HH22 ARG 453 -13.199 -8.655 -6.956 295 H LEU 454 HN LEU 454 -7.827 -6.882 -3.137 296 HA LEU 454 HA LEU 454 -7.967 -4.280 -1.848 297 HB2 LEU 454 HB2 LEU 454 -9.311 -5.552 -0.117 298 HB3 LEU 454 HB1 LEU 454 -10.003 -5.393 -1.717 299 HG LEU 454 HG LEU 454 -9.086 -7.751 -2.160 300 HD11 LEU 454 HD11 LEU 454 -8.976 -7.744 0.850 301 HD12 LEU 454 HD12 LEU 454 -7.598 -7.899 -0.238 302 HD13 LEU 454 HD13 LEU 454 -8.828 -9.162 -0.186 303 HD21 LEU 454 HD21 LEU 454 -11.451 -7.241 -1.906 304 HD22 LEU 454 HD22 LEU 454 -11.292 -7.324 -0.152 305 HD23 LEU 454 HD23 LEU 454 -11.059 -8.774 -1.127 306 H LYS 455 HN LYS 455 -5.844 -6.857 -1.861 307 HA LYS 455 HA LYS 455 -4.505 -5.774 0.494 308 HB2 LYS 455 HB2 LYS 455 -4.092 -7.963 1.485 309 HB3 LYS 455 HB1 LYS 455 -5.819 -7.657 1.377 310 HG2 LYS 455 HG2 LYS 455 -6.016 -9.121 -0.513 311 HG3 LYS 455 HG1 LYS 455 -4.267 -9.329 -0.588 312 HD2 LYS 455 HD2 LYS 455 -5.332 -11.255 0.463 313 HD3 LYS 455 HD1 LYS 455 -4.304 -10.401 1.615 314 HE2 LYS 455 HE2 LYS 455 -6.324 -9.251 2.484 315 HE3 LYS 455 HE1 LYS 455 -7.308 -10.231 1.396 316 HZ1 LYS 455 HZ1 LYS 455 -6.559 -12.209 2.516 317 HZ2 LYS 455 HZ2 LYS 455 -7.210 -11.135 3.659 318 HZ3 LYS 455 HZ3 LYS 455 -5.529 -11.305 3.515 319 H ILE 456 HN ILE 456 -2.228 -6.677 0.684 320 HA ILE 456 HA ILE 456 -1.136 -6.884 -2.013 321 HB ILE 456 HB ILE 456 -0.144 -5.176 -0.607 322 HG12 ILE 456 HG12 ILE 456 2.265 -5.973 -0.582 323 HG13 ILE 456 HG11 ILE 456 1.664 -7.544 -1.099 324 HG21 ILE 456 HG21 ILE 456 1.084 -5.713 1.448 325 HG22 ILE 456 HG22 ILE 456 0.520 -7.381 1.337 326 HG23 ILE 456 HG23 ILE 456 -0.638 -6.072 1.584 327 HD11 ILE 456 HD11 ILE 456 0.744 -6.514 -3.120 328 HD12 ILE 456 HD12 ILE 456 2.484 -6.261 -2.981 329 HD13 ILE 456 HD13 ILE 456 1.370 -4.949 -2.599 330 HA PRO 457 HA PRO 457 -0.782 -11.310 -1.562 331 HB2 PRO 457 HB2 PRO 457 1.236 -10.980 -3.712 332 HB3 PRO 457 HB1 PRO 457 -0.213 -11.995 -3.668 333 HG2 PRO 457 HG2 PRO 457 -0.145 -9.782 -5.146 334 HG3 PRO 457 HG1 PRO 457 -1.614 -10.250 -4.269 335 HD2 PRO 457 HD2 PRO 457 0.427 -8.171 -3.576 336 HD3 PRO 457 HD1 PRO 457 -1.343 -8.107 -3.429 337 H ALA 458 HN ALA 458 1.022 -12.921 -1.433 338 HA ALA 458 HA ALA 458 3.463 -11.802 -0.253 339 HB1 ALA 458 HB1 ALA 458 1.917 -12.279 1.592 340 HB2 ALA 458 HB2 ALA 458 3.334 -13.329 1.639 341 HB3 ALA 458 HB3 ALA 458 1.793 -13.953 1.047 342 H1 THR 638 HN THR 638 -16.720 -25.720 -1.738 343 HA THR 638 HA THR 638 -15.010 -23.878 -2.981 344 HB THR 638 HB THR 638 -14.490 -24.033 -0.010 345 HG1 THR 638 HG1 THR 638 -16.466 -22.797 -0.928 346 HG21 THR 638 HG21 THR 638 -12.971 -22.161 -0.477 347 HG22 THR 638 HG22 THR 638 -13.397 -22.242 -2.187 348 HG23 THR 638 HG23 THR 638 -12.540 -23.582 -1.428 349 H ALA 639 HN ALA 639 -13.976 -25.448 -4.051 350 HA ALA 639 HA ALA 639 -12.643 -27.554 -2.481 351 HB1 ALA 639 HB1 ALA 639 -13.644 -27.707 -5.330 352 HB2 ALA 639 HB2 ALA 639 -14.383 -28.481 -3.928 353 HB3 ALA 639 HB3 ALA 639 -12.783 -28.983 -4.468 354 HA PRO 640 HA PRO 640 -8.747 -25.885 -3.722 355 HB2 PRO 640 HB2 PRO 640 -7.955 -28.709 -4.254 356 HB3 PRO 640 HB1 PRO 640 -7.173 -27.491 -3.240 357 HG2 PRO 640 HG2 PRO 640 -8.562 -29.474 -2.139 358 HG3 PRO 640 HG1 PRO 640 -8.631 -27.833 -1.468 359 HD2 PRO 640 HD2 PRO 640 -10.634 -29.287 -3.142 360 HD3 PRO 640 HD1 PRO 640 -10.894 -28.162 -1.793 361 HA PRO 641 HA PRO 641 -9.218 -25.822 -8.140 362 HB2 PRO 641 HB2 PRO 641 -7.316 -24.005 -8.692 363 HB3 PRO 641 HB1 PRO 641 -8.832 -23.562 -7.901 364 HG2 PRO 641 HG2 PRO 641 -6.136 -24.037 -6.687 365 HG3 PRO 641 HG1 PRO 641 -7.306 -22.747 -6.349 366 HD2 PRO 641 HD2 PRO 641 -7.030 -24.966 -4.787 367 HD3 PRO 641 HD1 PRO 641 -8.556 -24.076 -4.955 368 HA PRO 642 HA PRO 642 -6.151 -28.605 -9.694 369 HB2 PRO 642 HB2 PRO 642 -6.424 -28.184 -12.355 370 HB3 PRO 642 HB1 PRO 642 -7.643 -29.034 -11.398 371 HG2 PRO 642 HG2 PRO 642 -7.612 -26.188 -12.324 372 HG3 PRO 642 HG1 PRO 642 -8.954 -27.348 -12.307 373 HD2 PRO 642 HD2 PRO 642 -8.637 -25.429 -10.409 374 HD3 PRO 642 HD1 PRO 642 -9.398 -26.997 -10.083 375 H ALA 643 HN ALA 643 -4.230 -28.662 -11.169 376 HA ALA 643 HA ALA 643 -2.500 -26.478 -10.617 377 HB1 ALA 643 HB1 ALA 643 -1.685 -28.779 -10.802 378 HB2 ALA 643 HB2 ALA 643 -0.842 -27.703 -11.918 379 HB3 ALA 643 HB3 ALA 643 -2.098 -28.787 -12.517 380 H TYR 644 HN TYR 644 -1.363 -25.195 -12.201 381 HA TYR 644 HA TYR 644 -3.098 -23.774 -13.854 382 HB2 TYR 644 HB2 TYR 644 -1.088 -22.768 -12.919 383 HB3 TYR 644 HB1 TYR 644 -0.075 -23.856 -13.861 384 HD1 TYR 644 HD2 TYR 644 -2.595 -21.137 -14.224 385 HD2 TYR 644 HD1 TYR 644 0.672 -23.223 -15.979 386 HE1 TYR 644 HE2 TYR 644 -2.531 -19.491 -16.048 387 HE2 TYR 644 HE1 TYR 644 0.744 -21.582 -17.807 388 HH TYR 644 HH TYR 644 -0.764 -19.987 -18.902 389 H ALA 645 HN ALA 645 -0.609 -26.146 -14.740 390 HA ALA 645 HA ALA 645 -1.151 -25.964 -17.539 391 HB1 ALA 645 HB1 ALA 645 0.312 -27.909 -17.748 392 HB2 ALA 645 HB2 ALA 645 0.272 -28.140 -16.000 393 HB3 ALA 645 HB3 ALA 645 1.030 -26.700 -16.682 394 H THR 646 HN THR 646 -2.598 -27.562 -14.915 395 HA THR 646 HA THR 646 -3.804 -29.711 -16.397 396 HB THR 646 HB THR 646 -4.341 -28.660 -13.613 397 HG1 THR 646 HG1 THR 646 -3.002 -31.069 -14.017 398 HG21 THR 646 HG21 THR 646 -5.121 -31.280 -14.894 399 HG22 THR 646 HG22 THR 646 -6.212 -29.964 -14.465 400 HG23 THR 646 HG23 THR 646 -5.360 -30.849 -13.201 401 H LEU 647 HN LEU 647 -4.801 -26.571 -15.102 402 HA LEU 647 HA LEU 647 -7.532 -26.948 -15.923 403 HB2 LEU 647 HB2 LEU 647 -7.868 -24.663 -15.101 404 HB3 LEU 647 HB1 LEU 647 -7.089 -25.696 -13.924 405 HG LEU 647 HG LEU 647 -4.891 -24.598 -14.867 406 HD11 LEU 647 HD11 LEU 647 -5.955 -23.344 -16.657 407 HD12 LEU 647 HD12 LEU 647 -5.221 -22.253 -15.480 408 HD13 LEU 647 HD13 LEU 647 -6.966 -22.501 -15.483 409 HD21 LEU 647 HD21 LEU 647 -5.067 -22.897 -13.112 410 HD22 LEU 647 HD22 LEU 647 -5.652 -24.469 -12.569 411 HD23 LEU 647 HD23 LEU 647 -6.800 -23.202 -13.000 412 H GLY 648 HN GLY 648 -4.667 -25.742 -17.351 413 HA2 GLY 648 HA2 GLY 648 -6.116 -24.220 -19.379 414 HA3 GLY 648 HA1 GLY 648 -4.368 -24.331 -19.214 Start of MODEL 7 1 H1 GLY 416 HT1 GLY 416 -13.145 -2.567 3.611 2 H2 GLY 416 HT2 GLY 416 -12.311 -3.215 2.291 3 H3 GLY 416 HT3 GLY 416 -14.002 -3.273 2.329 4 HA2 GLY 416 HA1 GLY 416 -14.072 -0.836 2.258 5 HA3 GLY 416 HA2 GLY 416 -12.319 -0.843 2.106 6 H SER 417 HN SER 417 -13.054 0.398 0.116 7 HA SER 417 HA SER 417 -13.645 -1.487 -2.069 8 HB2 SER 417 HB2 SER 417 -14.170 1.492 -1.992 9 HB3 SER 417 HB1 SER 417 -14.609 0.386 -3.292 10 HG SER 417 HG SER 417 -16.336 0.892 -1.804 11 H MET 418 HN MET 418 -12.496 -1.307 -3.993 12 HA MET 418 HA MET 418 -10.127 0.436 -3.928 13 HB2 MET 418 HB2 MET 418 -9.484 -1.915 -3.434 14 HB3 MET 418 HB1 MET 418 -10.203 -2.410 -4.961 15 HG2 MET 418 HG2 MET 418 -7.744 -2.198 -5.040 16 HG3 MET 418 HG1 MET 418 -8.579 -1.168 -6.201 17 HE1 MET 418 HE1 MET 418 -5.499 -0.839 -5.283 18 HE2 MET 418 HE2 MET 418 -5.390 0.917 -5.156 19 HE3 MET 418 HE3 MET 418 -6.263 0.181 -6.500 20 H GLU 419 HN GLU 419 -10.688 1.933 -5.354 21 HA GLU 419 HA GLU 419 -12.355 1.337 -7.620 22 HB2 GLU 419 HB2 GLU 419 -12.068 3.804 -8.081 23 HB3 GLU 419 HB1 GLU 419 -12.820 3.381 -6.550 24 HG2 GLU 419 HG2 GLU 419 -10.663 3.735 -5.421 25 HG3 GLU 419 HG1 GLU 419 -9.959 4.223 -6.964 26 H GLN 420 HN GLN 420 -9.721 0.100 -7.640 27 HA GLN 420 HA GLN 420 -8.047 1.359 -9.543 28 HB2 GLN 420 HB2 GLN 420 -7.629 -0.693 -7.947 29 HB3 GLN 420 HB1 GLN 420 -8.256 -1.631 -9.293 30 HG2 GLN 420 HG2 GLN 420 -5.930 0.264 -9.509 31 HG3 GLN 420 HG1 GLN 420 -5.771 -1.458 -9.175 32 HE21 GLN 420 HE21 GLN 420 -4.809 0.163 -11.413 33 HE22 GLN 420 HE22 GLN 420 -5.444 -0.581 -12.836 34 H GLY 421 HN GLY 421 -10.131 -1.497 -9.985 35 HA2 GLY 421 HA2 GLY 421 -11.969 -1.080 -11.692 36 HA3 GLY 421 HA1 GLY 421 -10.657 -0.560 -12.733 37 H PHE 422 HN PHE 422 -8.749 -2.462 -12.372 38 HA PHE 422 HA PHE 422 -10.137 -4.933 -13.156 39 HB2 PHE 422 HB2 PHE 422 -8.286 -5.264 -14.855 40 HB3 PHE 422 HB1 PHE 422 -9.450 -3.999 -15.222 41 HD1 PHE 422 HD2 PHE 422 -5.989 -4.738 -14.297 42 HD2 PHE 422 HD1 PHE 422 -8.796 -1.669 -15.206 43 HE1 PHE 422 HE2 PHE 422 -4.143 -3.143 -14.595 44 HE2 PHE 422 HE1 PHE 422 -6.953 -0.069 -15.510 45 HZ PHE 422 HZ PHE 422 -4.622 -0.804 -15.203 46 H LEU 423 HN LEU 423 -8.063 -6.602 -13.564 47 HA LEU 423 HA LEU 423 -7.049 -6.923 -10.852 48 HB2 LEU 423 HB2 LEU 423 -7.083 -8.795 -13.226 49 HB3 LEU 423 HB1 LEU 423 -6.378 -9.195 -11.676 50 HG LEU 423 HG LEU 423 -8.474 -10.259 -11.721 51 HD11 LEU 423 HD11 LEU 423 -8.009 -9.162 -9.612 52 HD12 LEU 423 HD12 LEU 423 -9.741 -9.178 -9.939 53 HD13 LEU 423 HD13 LEU 423 -8.813 -7.697 -10.175 54 HD21 LEU 423 HD21 LEU 423 -9.697 -7.645 -12.606 55 HD22 LEU 423 HD22 LEU 423 -10.581 -9.129 -12.252 56 HD23 LEU 423 HD23 LEU 423 -9.457 -9.076 -13.610 57 HA PRO 424 HA PRO 424 -2.867 -5.752 -11.772 58 HB2 PRO 424 HB2 PRO 424 -2.048 -8.201 -10.300 59 HB3 PRO 424 HB1 PRO 424 -1.601 -6.516 -10.014 60 HG2 PRO 424 HG2 PRO 424 -3.316 -7.763 -8.400 61 HG3 PRO 424 HG1 PRO 424 -3.545 -6.060 -8.839 62 HD2 PRO 424 HD2 PRO 424 -4.952 -8.489 -9.874 63 HD3 PRO 424 HD1 PRO 424 -5.605 -6.880 -9.505 64 H LYS 425 HN LYS 425 -1.023 -6.460 -13.013 65 HA LYS 425 HA LYS 425 -1.853 -8.254 -15.103 66 HB2 LYS 425 HB2 LYS 425 0.782 -6.813 -14.718 67 HB3 LYS 425 HB1 LYS 425 0.262 -7.634 -16.186 68 HG2 LYS 425 HG2 LYS 425 -1.059 -5.229 -14.943 69 HG3 LYS 425 HG1 LYS 425 -0.033 -5.231 -16.379 70 HD2 LYS 425 HD2 LYS 425 -1.630 -6.556 -17.587 71 HD3 LYS 425 HD1 LYS 425 -2.600 -6.794 -16.133 72 HE2 LYS 425 HE2 LYS 425 -3.622 -5.121 -17.556 73 HE3 LYS 425 HE1 LYS 425 -3.059 -4.385 -16.059 74 HZ1 LYS 425 HZ1 LYS 425 -2.515 -3.001 -17.936 75 HZ2 LYS 425 HZ2 LYS 425 -1.688 -4.275 -18.696 76 HZ3 LYS 425 HZ3 LYS 425 -1.083 -3.611 -17.256 77 H GLY 426 HN GLY 426 -1.797 -10.347 -14.750 78 HA2 GLY 426 HA2 GLY 426 -0.032 -12.166 -14.865 79 HA3 GLY 426 HA1 GLY 426 0.527 -11.488 -13.338 80 H TRP 427 HN TRP 427 -2.391 -10.876 -12.748 81 HA TRP 427 HA TRP 427 -3.031 -13.520 -11.649 82 HB2 TRP 427 HB2 TRP 427 -4.151 -10.800 -10.925 83 HB3 TRP 427 HB1 TRP 427 -4.529 -12.314 -10.115 84 HD1 TRP 427 HD1 TRP 427 -1.642 -9.825 -10.576 85 HE1 TRP 427 HE1 TRP 427 -0.004 -10.104 -8.611 86 HE3 TRP 427 HE3 TRP 427 -3.745 -13.914 -8.354 87 HZ2 TRP 427 HZ2 TRP 427 0.351 -11.832 -6.411 88 HZ3 TRP 427 HZ3 TRP 427 -2.694 -14.824 -6.320 89 HH2 TRP 427 HH2 TRP 427 -0.686 -13.802 -5.371 90 H GLU 428 HN GLU 428 -4.529 -14.692 -12.687 91 HA GLU 428 HA GLU 428 -6.622 -13.256 -14.203 92 HB2 GLU 428 HB2 GLU 428 -4.959 -14.467 -15.599 93 HB3 GLU 428 HB1 GLU 428 -5.376 -15.956 -14.772 94 HG2 GLU 428 HG2 GLU 428 -7.540 -15.978 -15.722 95 HG3 GLU 428 HG1 GLU 428 -7.353 -14.332 -16.337 96 H VAL 429 HN VAL 429 -8.787 -14.223 -14.107 97 HA VAL 429 HA VAL 429 -9.060 -15.827 -11.664 98 HB VAL 429 HB VAL 429 -10.194 -13.642 -11.628 99 HG11 VAL 429 HG11 VAL 429 -10.757 -13.425 -13.974 100 HG12 VAL 429 HG12 VAL 429 -12.201 -13.270 -12.971 101 HG13 VAL 429 HG13 VAL 429 -11.889 -14.771 -13.842 102 HG21 VAL 429 HG21 VAL 429 -12.070 -15.999 -11.579 103 HG22 VAL 429 HG22 VAL 429 -12.367 -14.432 -10.830 104 HG23 VAL 429 HG23 VAL 429 -11.049 -15.450 -10.251 105 H ARG 430 HN ARG 430 -10.036 -17.705 -11.605 106 HA ARG 430 HA ARG 430 -11.044 -18.855 -14.117 107 HB2 ARG 430 HB2 ARG 430 -9.324 -20.077 -11.964 108 HB3 ARG 430 HB1 ARG 430 -10.216 -21.069 -13.108 109 HG2 ARG 430 HG2 ARG 430 -8.518 -18.911 -14.210 110 HG3 ARG 430 HG1 ARG 430 -7.715 -20.328 -13.535 111 HD2 ARG 430 HD2 ARG 430 -8.108 -20.527 -15.956 112 HD3 ARG 430 HD1 ARG 430 -8.930 -21.780 -15.034 113 HE ARG 430 HE ARG 430 -10.646 -19.564 -15.534 114 HH11 ARG 430 HH11 ARG 430 -9.195 -22.349 -17.079 115 HH12 ARG 430 HH12 ARG 430 -10.495 -22.563 -18.206 116 HH21 ARG 430 HH21 ARG 430 -12.380 -19.843 -17.027 117 HH22 ARG 430 HH22 ARG 430 -12.299 -21.145 -18.182 118 H HIS 431 HN HIS 431 -11.795 -21.335 -12.464 119 HA HIS 431 HA HIS 431 -14.104 -20.405 -11.076 120 HB2 HIS 431 HB2 HIS 431 -14.356 -21.211 -13.935 121 HB3 HIS 431 HB1 HIS 431 -15.606 -21.751 -12.819 122 HD1 HIS 431 HD1 HIS 431 -14.708 -18.959 -14.920 123 HD2 HIS 431 HD2 HIS 431 -16.787 -19.456 -11.351 124 HE1 HIS 431 HE1 HIS 431 -16.064 -16.861 -14.627 125 HE2 HIS 431 HE2 HIS 431 -17.189 -17.117 -12.383 126 H ALA 432 HN ALA 432 -13.965 -21.796 -9.430 127 HA ALA 432 HA ALA 432 -13.071 -24.503 -9.808 128 HB1 ALA 432 HB1 ALA 432 -14.259 -23.175 -7.369 129 HB2 ALA 432 HB2 ALA 432 -12.541 -23.276 -7.752 130 HB3 ALA 432 HB3 ALA 432 -13.453 -24.743 -7.402 131 HA PRO 433 HA PRO 433 -16.854 -26.608 -10.670 132 HB2 PRO 433 HB2 PRO 433 -16.155 -28.452 -8.435 133 HB3 PRO 433 HB1 PRO 433 -16.555 -28.820 -10.116 134 HG2 PRO 433 HG2 PRO 433 -14.039 -28.952 -9.287 135 HG3 PRO 433 HG1 PRO 433 -14.424 -28.271 -10.881 136 HD2 PRO 433 HD2 PRO 433 -13.708 -26.867 -8.339 137 HD3 PRO 433 HD1 PRO 433 -13.229 -26.492 -10.007 138 H ASN 434 HN ASN 434 -16.136 -25.738 -7.351 139 HA ASN 434 HA ASN 434 -18.748 -26.172 -6.306 140 HB2 ASN 434 HB2 ASN 434 -16.444 -24.489 -5.303 141 HB3 ASN 434 HB1 ASN 434 -17.949 -24.699 -4.422 142 HD21 ASN 434 HD21 ASN 434 -17.010 -25.673 -2.690 143 HD22 ASN 434 HD22 ASN 434 -16.338 -27.272 -2.748 144 H GLY 435 HN GLY 435 -17.706 -23.942 -8.528 145 HA2 GLY 435 HA2 GLY 435 -18.961 -22.216 -9.483 146 HA3 GLY 435 HA1 GLY 435 -20.070 -22.302 -8.120 147 H ARG 436 HN ARG 436 -16.697 -22.129 -7.544 148 HA ARG 436 HA ARG 436 -16.992 -19.340 -6.643 149 HB2 ARG 436 HB2 ARG 436 -16.599 -21.450 -5.004 150 HB3 ARG 436 HB1 ARG 436 -14.928 -21.077 -5.396 151 HG2 ARG 436 HG2 ARG 436 -16.905 -19.108 -4.262 152 HG3 ARG 436 HG1 ARG 436 -15.724 -20.011 -3.315 153 HD2 ARG 436 HD2 ARG 436 -13.909 -18.943 -4.543 154 HD3 ARG 436 HD1 ARG 436 -15.078 -18.086 -5.545 155 HE ARG 436 HE ARG 436 -15.466 -17.574 -2.756 156 HH11 ARG 436 HH11 ARG 436 -13.492 -16.695 -5.521 157 HH12 ARG 436 HH12 ARG 436 -13.165 -15.089 -4.935 158 HH21 ARG 436 HH21 ARG 436 -15.018 -15.479 -1.975 159 HH22 ARG 436 HH22 ARG 436 -14.040 -14.398 -2.922 160 HA PRO 437 HA PRO 437 -13.684 -18.780 -9.625 161 HB2 PRO 437 HB2 PRO 437 -13.725 -15.974 -8.869 162 HB3 PRO 437 HB1 PRO 437 -14.232 -16.716 -10.388 163 HG2 PRO 437 HG2 PRO 437 -15.971 -15.579 -8.629 164 HG3 PRO 437 HG1 PRO 437 -16.413 -16.908 -9.715 165 HD2 PRO 437 HD2 PRO 437 -15.708 -16.987 -6.806 166 HD3 PRO 437 HD1 PRO 437 -16.972 -17.875 -7.684 167 H PHE 438 HN PHE 438 -11.496 -18.690 -9.440 168 HA PHE 438 HA PHE 438 -10.359 -17.478 -7.029 169 HB2 PHE 438 HB2 PHE 438 -8.719 -19.319 -6.842 170 HB3 PHE 438 HB1 PHE 438 -10.367 -19.866 -6.587 171 HD1 PHE 438 HD1 PHE 438 -7.452 -19.999 -8.783 172 HD2 PHE 438 HD2 PHE 438 -11.434 -21.352 -8.156 173 HE1 PHE 438 HE1 PHE 438 -7.115 -21.760 -10.467 174 HE2 PHE 438 HE2 PHE 438 -11.099 -23.112 -9.838 175 HZ PHE 438 HZ PHE 438 -8.943 -23.318 -10.997 176 H PHE 439 HN PHE 439 -8.118 -16.850 -7.259 177 HA PHE 439 HA PHE 439 -7.609 -15.944 -9.994 178 HB2 PHE 439 HB2 PHE 439 -6.553 -14.941 -7.346 179 HB3 PHE 439 HB1 PHE 439 -6.106 -14.282 -8.915 180 HD1 PHE 439 HD2 PHE 439 -7.741 -13.053 -10.257 181 HD2 PHE 439 HD1 PHE 439 -8.665 -14.458 -6.348 182 HE1 PHE 439 HE2 PHE 439 -9.685 -11.545 -10.176 183 HE2 PHE 439 HE1 PHE 439 -10.608 -12.954 -6.259 184 HZ PHE 439 HZ PHE 439 -11.119 -11.493 -8.176 185 H ILE 440 HN ILE 440 -5.695 -16.234 -11.014 186 HA ILE 440 HA ILE 440 -3.797 -18.113 -9.766 187 HB ILE 440 HB ILE 440 -4.568 -17.927 -12.687 188 HG12 ILE 440 HG12 ILE 440 -5.153 -20.390 -12.263 189 HG13 ILE 440 HG11 ILE 440 -5.088 -19.984 -10.552 190 HG21 ILE 440 HG21 ILE 440 -2.191 -18.365 -12.478 191 HG22 ILE 440 HG22 ILE 440 -3.032 -19.809 -13.041 192 HG23 ILE 440 HG23 ILE 440 -2.513 -19.691 -11.360 193 HD11 ILE 440 HD11 ILE 440 -6.835 -18.329 -10.874 194 HD12 ILE 440 HD12 ILE 440 -7.356 -19.932 -11.399 195 HD13 ILE 440 HD13 ILE 440 -6.891 -18.720 -12.593 196 H ASP 441 HN ASP 441 -1.826 -17.444 -9.589 197 HA ASP 441 HA ASP 441 -1.006 -14.959 -10.883 198 HB2 ASP 441 HB2 ASP 441 -0.504 -15.070 -8.532 199 HB3 ASP 441 HB1 ASP 441 0.284 -16.636 -8.722 200 H HIS 442 HN HIS 442 -0.141 -15.093 -12.804 201 HA HIS 442 HA HIS 442 0.985 -17.567 -13.780 202 HB2 HIS 442 HB2 HIS 442 0.650 -14.857 -15.073 203 HB3 HIS 442 HB1 HIS 442 1.341 -16.253 -15.894 204 HD1 HIS 442 HD1 HIS 442 -0.268 -18.026 -16.755 205 HD2 HIS 442 HD2 HIS 442 -2.139 -15.039 -14.549 206 HE1 HIS 442 HE1 HIS 442 -2.732 -18.350 -17.130 207 HE2 HIS 442 HE2 HIS 442 -3.814 -16.389 -15.988 208 H ASN 443 HN ASN 443 2.195 -15.096 -11.957 209 HA ASN 443 HA ASN 443 4.755 -14.782 -13.212 210 HB2 ASN 443 HB2 ASN 443 3.837 -13.992 -10.434 211 HB3 ASN 443 HB1 ASN 443 5.368 -13.525 -11.164 212 HD21 ASN 443 HD21 ASN 443 1.999 -12.924 -10.952 213 HD22 ASN 443 HD22 ASN 443 1.961 -11.541 -12.003 214 H THR 444 HN THR 444 3.753 -16.304 -10.109 215 HA THR 444 HA THR 444 6.242 -17.877 -10.270 216 HB THR 444 HB THR 444 6.004 -16.427 -8.257 217 HG1 THR 444 HG1 THR 444 6.008 -19.248 -7.807 218 HG21 THR 444 HG21 THR 444 3.743 -18.309 -7.565 219 HG22 THR 444 HG22 THR 444 3.583 -16.592 -7.941 220 HG23 THR 444 HG23 THR 444 4.444 -17.102 -6.487 221 H LYS 445 HN LYS 445 3.150 -18.199 -11.087 222 HA LYS 445 HA LYS 445 1.870 -19.976 -11.680 223 HB2 LYS 445 HB2 LYS 445 4.133 -21.756 -10.772 224 HB3 LYS 445 HB1 LYS 445 2.834 -22.167 -11.880 225 HG2 LYS 445 HG2 LYS 445 4.944 -20.093 -12.416 226 HG3 LYS 445 HG1 LYS 445 5.000 -21.759 -12.989 227 HD2 LYS 445 HD2 LYS 445 2.948 -21.402 -14.255 228 HD3 LYS 445 HD1 LYS 445 2.850 -19.746 -13.650 229 HE2 LYS 445 HE2 LYS 445 3.790 -19.835 -15.913 230 HE3 LYS 445 HE1 LYS 445 4.945 -19.196 -14.744 231 HZ1 LYS 445 HZ1 LYS 445 5.994 -21.384 -14.655 232 HZ2 LYS 445 HZ2 LYS 445 6.003 -20.768 -16.233 233 HZ3 LYS 445 HZ3 LYS 445 4.893 -21.977 -15.801 234 H THR 446 HN THR 446 0.766 -19.118 -9.620 235 HA THR 446 HA THR 446 0.273 -21.464 -7.946 236 HB THR 446 HB THR 446 1.891 -20.062 -6.688 237 HG1 THR 446 HG1 THR 446 0.344 -19.791 -4.792 238 HG21 THR 446 HG21 THR 446 1.153 -17.912 -5.761 239 HG22 THR 446 HG22 THR 446 -0.331 -18.013 -6.709 240 HG23 THR 446 HG23 THR 446 1.227 -17.864 -7.523 241 H THR 447 HN THR 447 -1.761 -21.443 -6.855 242 HA THR 447 HA THR 447 -3.753 -19.669 -8.120 243 HB THR 447 HB THR 447 -5.397 -21.479 -7.653 244 HG1 THR 447 HG1 THR 447 -3.242 -22.510 -6.289 245 HG21 THR 447 HG21 THR 447 -4.630 -23.043 -9.371 246 HG22 THR 447 HG22 THR 447 -2.992 -22.404 -9.229 247 HG23 THR 447 HG23 THR 447 -4.288 -21.378 -9.840 248 H THR 448 HN THR 448 -5.238 -18.588 -6.785 249 HA THR 448 HA THR 448 -5.261 -19.248 -3.947 250 HB THR 448 HB THR 448 -3.398 -17.623 -4.188 251 HG1 THR 448 HG1 THR 448 -4.089 -16.353 -2.455 252 HG21 THR 448 HG21 THR 448 -3.909 -15.280 -4.694 253 HG22 THR 448 HG22 THR 448 -5.576 -15.720 -5.064 254 HG23 THR 448 HG23 THR 448 -4.259 -16.321 -6.073 255 H TRP 449 HN TRP 449 -6.870 -17.955 -2.746 256 HA TRP 449 HA TRP 449 -9.233 -17.491 -4.429 257 HB2 TRP 449 HB2 TRP 449 -9.043 -18.169 -1.485 258 HB3 TRP 449 HB1 TRP 449 -10.540 -17.939 -2.385 259 HD1 TRP 449 HD1 TRP 449 -7.712 -20.455 -1.863 260 HE1 TRP 449 HE1 TRP 449 -8.412 -22.717 -2.887 261 HE3 TRP 449 HE3 TRP 449 -12.000 -18.982 -4.226 262 HZ2 TRP 449 HZ2 TRP 449 -10.502 -23.730 -4.481 263 HZ3 TRP 449 HZ3 TRP 449 -13.292 -20.660 -5.478 264 HH2 TRP 449 HH2 TRP 449 -12.556 -22.986 -5.603 265 H GLU 450 HN GLU 450 -6.882 -15.797 -2.939 266 HA GLU 450 HA GLU 450 -8.544 -13.807 -1.620 267 HB2 GLU 450 HB2 GLU 450 -6.440 -12.803 -0.894 268 HB3 GLU 450 HB1 GLU 450 -6.463 -14.523 -0.531 269 HG2 GLU 450 HG2 GLU 450 -5.187 -14.794 -2.741 270 HG3 GLU 450 HG1 GLU 450 -4.897 -13.060 -2.618 271 H ASP 451 HN ASP 451 -8.395 -11.546 -2.143 272 HA ASP 451 HA ASP 451 -8.154 -11.126 -5.036 273 HB2 ASP 451 HB2 ASP 451 -10.298 -10.524 -3.814 274 HB3 ASP 451 HB1 ASP 451 -9.391 -9.253 -3.005 275 HA PRO 452 HA PRO 452 -4.268 -9.206 -4.020 276 HB2 PRO 452 HB2 PRO 452 -3.579 -8.529 -6.559 277 HB3 PRO 452 HB1 PRO 452 -3.441 -10.170 -5.916 278 HG2 PRO 452 HG2 PRO 452 -5.588 -8.987 -7.632 279 HG3 PRO 452 HG1 PRO 452 -4.803 -10.571 -7.755 280 HD2 PRO 452 HD2 PRO 452 -7.244 -10.234 -6.633 281 HD3 PRO 452 HD1 PRO 452 -6.107 -11.487 -6.090 282 H ARG 453 HN ARG 453 -7.004 -7.594 -5.446 283 HA ARG 453 HA ARG 453 -5.700 -5.040 -5.675 284 HB2 ARG 453 HB2 ARG 453 -8.634 -5.741 -5.740 285 HB3 ARG 453 HB1 ARG 453 -7.934 -4.196 -6.206 286 HG2 ARG 453 HG2 ARG 453 -6.864 -5.151 -8.092 287 HG3 ARG 453 HG1 ARG 453 -7.237 -6.791 -7.552 288 HD2 ARG 453 HD2 ARG 453 -9.240 -4.695 -8.378 289 HD3 ARG 453 HD1 ARG 453 -8.742 -6.086 -9.341 290 HE ARG 453 HE ARG 453 -9.640 -7.107 -6.929 291 HH11 ARG 453 HH11 ARG 453 -10.984 -5.229 -9.577 292 HH12 ARG 453 HH12 ARG 453 -12.594 -5.837 -9.354 293 HH21 ARG 453 HH21 ARG 453 -11.748 -7.897 -6.641 294 HH22 ARG 453 HH22 ARG 453 -13.036 -7.340 -7.683 295 H LEU 454 HN LEU 454 -7.853 -6.583 -3.321 296 HA LEU 454 HA LEU 454 -8.091 -4.156 -1.796 297 HB2 LEU 454 HB2 LEU 454 -9.276 -5.599 -0.130 298 HB3 LEU 454 HB1 LEU 454 -9.989 -5.552 -1.726 299 HG LEU 454 HG LEU 454 -8.746 -7.780 -2.129 300 HD11 LEU 454 HD11 LEU 454 -8.709 -7.708 0.886 301 HD12 LEU 454 HD12 LEU 454 -7.295 -7.690 -0.166 302 HD13 LEU 454 HD13 LEU 454 -8.343 -9.108 -0.122 303 HD21 LEU 454 HD21 LEU 454 -11.035 -7.611 -0.173 304 HD22 LEU 454 HD22 LEU 454 -10.596 -9.027 -1.127 305 HD23 LEU 454 HD23 LEU 454 -11.163 -7.563 -1.931 306 H LYS 455 HN LYS 455 -5.664 -6.313 -2.165 307 HA LYS 455 HA LYS 455 -4.612 -5.905 0.545 308 HB2 LYS 455 HB2 LYS 455 -3.619 -7.661 -1.710 309 HB3 LYS 455 HB1 LYS 455 -2.870 -7.531 -0.126 310 HG2 LYS 455 HG2 LYS 455 -4.873 -8.466 0.903 311 HG3 LYS 455 HG1 LYS 455 -5.639 -8.580 -0.683 312 HD2 LYS 455 HD2 LYS 455 -4.714 -10.734 -0.025 313 HD3 LYS 455 HD1 LYS 455 -3.856 -10.092 -1.426 314 HE2 LYS 455 HE2 LYS 455 -2.121 -9.214 0.143 315 HE3 LYS 455 HE1 LYS 455 -2.938 -10.077 1.445 316 HZ1 LYS 455 HZ1 LYS 455 -2.613 -12.138 0.099 317 HZ2 LYS 455 HZ2 LYS 455 -1.179 -11.438 0.675 318 HZ3 LYS 455 HZ3 LYS 455 -1.624 -11.238 -0.947 319 H ILE 456 HN ILE 456 -2.793 -4.640 0.865 320 HA ILE 456 HA ILE 456 -1.758 -3.334 -1.563 321 HB ILE 456 HB ILE 456 -2.058 -2.167 1.214 322 HG12 ILE 456 HG12 ILE 456 -3.311 -0.380 -0.170 323 HG13 ILE 456 HG11 ILE 456 -3.364 -1.594 -1.441 324 HG21 ILE 456 HG21 ILE 456 0.072 -1.477 0.281 325 HG22 ILE 456 HG22 ILE 456 -1.057 -0.123 0.312 326 HG23 ILE 456 HG23 ILE 456 -0.727 -0.960 -1.205 327 HD11 ILE 456 HD11 ILE 456 -4.528 -1.873 1.321 328 HD12 ILE 456 HD12 ILE 456 -4.588 -3.092 0.047 329 HD13 ILE 456 HD13 ILE 456 -5.427 -1.556 -0.164 330 HA PRO 457 HA PRO 457 1.951 -5.441 -0.047 331 HB2 PRO 457 HB2 PRO 457 2.959 -4.935 -2.742 332 HB3 PRO 457 HB1 PRO 457 2.640 -6.482 -1.953 333 HG2 PRO 457 HG2 PRO 457 1.150 -5.550 -4.023 334 HG3 PRO 457 HG1 PRO 457 0.489 -6.597 -2.752 335 HD2 PRO 457 HD2 PRO 457 0.264 -3.625 -3.072 336 HD3 PRO 457 HD1 PRO 457 -0.972 -4.803 -2.572 337 H ALA 458 HN ALA 458 3.329 -4.213 1.123 338 HA ALA 458 HA ALA 458 4.754 -2.040 -0.099 339 HB1 ALA 458 HB1 ALA 458 2.654 -0.933 0.493 340 HB2 ALA 458 HB2 ALA 458 3.991 -0.331 1.475 341 HB3 ALA 458 HB3 ALA 458 2.837 -1.474 2.161 342 H1 THR 638 HN THR 638 -15.717 -28.781 -1.484 343 HA THR 638 HA THR 638 -15.400 -31.002 -1.846 344 HB THR 638 HB THR 638 -16.555 -31.980 -3.914 345 HG1 THR 638 HG1 THR 638 -17.029 -29.239 -4.229 346 HG21 THR 638 HG21 THR 638 -17.568 -31.997 -1.684 347 HG22 THR 638 HG22 THR 638 -18.784 -31.723 -2.931 348 HG23 THR 638 HG23 THR 638 -18.202 -30.374 -1.957 349 H ALA 639 HN ALA 639 -14.805 -28.956 -4.654 350 HA ALA 639 HA ALA 639 -12.466 -30.635 -5.267 351 HB1 ALA 639 HB1 ALA 639 -14.204 -30.915 -6.974 352 HB2 ALA 639 HB2 ALA 639 -12.762 -30.141 -7.633 353 HB3 ALA 639 HB3 ALA 639 -14.192 -29.175 -7.267 354 HA PRO 640 HA PRO 640 -10.438 -26.729 -4.342 355 HB2 PRO 640 HB2 PRO 640 -8.022 -28.320 -4.897 356 HB3 PRO 640 HB1 PRO 640 -8.484 -27.465 -3.423 357 HG2 PRO 640 HG2 PRO 640 -8.496 -30.143 -3.556 358 HG3 PRO 640 HG1 PRO 640 -9.703 -29.251 -2.612 359 HD2 PRO 640 HD2 PRO 640 -9.963 -30.496 -5.325 360 HD3 PRO 640 HD1 PRO 640 -11.114 -30.498 -3.971 361 HA PRO 641 HA PRO 641 -9.322 -25.163 -8.318 362 HB2 PRO 641 HB2 PRO 641 -7.006 -23.784 -7.879 363 HB3 PRO 641 HB1 PRO 641 -8.600 -23.193 -7.407 364 HG2 PRO 641 HG2 PRO 641 -6.516 -24.546 -5.741 365 HG3 PRO 641 HG1 PRO 641 -7.547 -23.160 -5.340 366 HD2 PRO 641 HD2 PRO 641 -8.080 -25.652 -4.456 367 HD3 PRO 641 HD1 PRO 641 -9.367 -24.494 -4.851 368 HA PRO 642 HA PRO 642 -6.749 -28.378 -9.998 369 HB2 PRO 642 HB2 PRO 642 -6.983 -26.836 -12.502 370 HB3 PRO 642 HB1 PRO 642 -7.488 -28.490 -12.147 371 HG2 PRO 642 HG2 PRO 642 -9.276 -26.522 -12.448 372 HG3 PRO 642 HG1 PRO 642 -9.516 -27.826 -11.269 373 HD2 PRO 642 HD2 PRO 642 -8.588 -25.015 -10.818 374 HD3 PRO 642 HD1 PRO 642 -9.712 -26.000 -9.858 375 H ALA 643 HN ALA 643 -4.795 -28.607 -11.338 376 HA ALA 643 HA ALA 643 -2.760 -26.785 -10.495 377 HB1 ALA 643 HB1 ALA 643 -2.346 -29.187 -10.690 378 HB2 ALA 643 HB2 ALA 643 -1.236 -28.260 -11.699 379 HB3 ALA 643 HB3 ALA 643 -2.607 -29.091 -12.432 380 H TYR 644 HN TYR 644 -1.260 -25.714 -11.930 381 HA TYR 644 HA TYR 644 -2.510 -23.898 -13.615 382 HB2 TYR 644 HB2 TYR 644 -0.327 -23.580 -12.468 383 HB3 TYR 644 HB1 TYR 644 0.412 -24.675 -13.628 384 HD1 TYR 644 HD2 TYR 644 -1.364 -21.433 -13.332 385 HD2 TYR 644 HD1 TYR 644 1.194 -23.868 -15.705 386 HE1 TYR 644 HE2 TYR 644 -0.950 -19.529 -14.825 387 HE2 TYR 644 HE1 TYR 644 1.618 -21.963 -17.204 388 HH TYR 644 HH TYR 644 0.651 -19.862 -17.852 389 H ALA 645 HN ALA 645 -0.751 -26.853 -14.445 390 HA ALA 645 HA ALA 645 -0.695 -26.398 -17.236 391 HB1 ALA 645 HB1 ALA 645 -0.489 -29.026 -15.779 392 HB2 ALA 645 HB2 ALA 645 0.847 -27.914 -16.077 393 HB3 ALA 645 HB3 ALA 645 0.031 -28.694 -17.431 394 H THR 646 HN THR 646 -3.219 -27.648 -15.181 395 HA THR 646 HA THR 646 -4.570 -28.738 -17.545 396 HB THR 646 HB THR 646 -4.318 -30.245 -15.576 397 HG1 THR 646 HG1 THR 646 -7.050 -29.618 -16.129 398 HG21 THR 646 HG21 THR 646 -5.781 -29.908 -13.635 399 HG22 THR 646 HG22 THR 646 -6.263 -28.336 -14.277 400 HG23 THR 646 HG23 THR 646 -4.591 -28.616 -13.787 401 H LEU 647 HN LEU 647 -4.680 -26.015 -15.442 402 HA LEU 647 HA LEU 647 -7.491 -25.530 -16.028 403 HB2 LEU 647 HB2 LEU 647 -7.245 -23.509 -14.619 404 HB3 LEU 647 HB1 LEU 647 -6.863 -25.001 -13.790 405 HG LEU 647 HG LEU 647 -4.403 -24.431 -14.252 406 HD11 LEU 647 HD11 LEU 647 -5.613 -21.709 -14.734 407 HD12 LEU 647 HD12 LEU 647 -4.740 -22.684 -15.917 408 HD13 LEU 647 HD13 LEU 647 -3.898 -22.050 -14.502 409 HD21 LEU 647 HD21 LEU 647 -6.037 -22.706 -12.402 410 HD22 LEU 647 HD22 LEU 647 -4.299 -22.990 -12.284 411 HD23 LEU 647 HD23 LEU 647 -5.429 -24.326 -12.058 412 H GLY 648 HN GLY 648 -4.641 -25.041 -17.602 413 HA2 GLY 648 HA2 GLY 648 -5.062 -22.405 -18.636 414 HA3 GLY 648 HA1 GLY 648 -3.924 -23.594 -19.249 Start of MODEL 8 1 H1 GLY 416 HT1 GLY 416 -14.192 -4.939 1.532 2 H2 GLY 416 HT2 GLY 416 -14.579 -5.273 3.148 3 H3 GLY 416 HT3 GLY 416 -15.802 -5.211 1.981 4 HA2 GLY 416 HA1 GLY 416 -13.613 -7.207 2.064 5 HA3 GLY 416 HA2 GLY 416 -15.267 -7.495 2.586 6 H SER 417 HN SER 417 -16.763 -6.324 0.641 7 HA SER 417 HA SER 417 -16.392 -8.158 -1.540 8 HB2 SER 417 HB2 SER 417 -18.464 -5.988 -1.120 9 HB3 SER 417 HB1 SER 417 -18.508 -7.204 -2.396 10 HG SER 417 HG SER 417 -19.584 -8.309 -0.965 11 H MET 418 HN MET 418 -14.599 -7.606 -2.665 12 HA MET 418 HA MET 418 -13.921 -4.992 -3.481 13 HB2 MET 418 HB2 MET 418 -12.644 -6.516 -5.321 14 HB3 MET 418 HB1 MET 418 -12.050 -6.250 -3.689 15 HG2 MET 418 HG2 MET 418 -11.866 -8.548 -4.030 16 HG3 MET 418 HG1 MET 418 -13.308 -8.350 -3.041 17 HE1 MET 418 HE1 MET 418 -13.167 -9.576 -7.472 18 HE2 MET 418 HE2 MET 418 -11.787 -9.520 -6.374 19 HE3 MET 418 HE3 MET 418 -12.548 -8.023 -6.910 20 H GLU 419 HN GLU 419 -15.665 -7.593 -5.036 21 HA GLU 419 HA GLU 419 -17.063 -7.672 -6.844 22 HB2 GLU 419 HB2 GLU 419 -18.347 -6.236 -5.308 23 HB3 GLU 419 HB1 GLU 419 -17.591 -4.814 -6.010 24 HG2 GLU 419 HG2 GLU 419 -18.638 -5.315 -8.156 25 HG3 GLU 419 HG1 GLU 419 -19.392 -6.745 -7.452 26 H GLN 420 HN GLN 420 -14.855 -7.679 -8.030 27 HA GLN 420 HA GLN 420 -15.196 -6.037 -10.354 28 HB2 GLN 420 HB2 GLN 420 -12.883 -5.101 -10.296 29 HB3 GLN 420 HB1 GLN 420 -13.947 -4.438 -9.067 30 HG2 GLN 420 HG2 GLN 420 -12.943 -5.945 -7.410 31 HG3 GLN 420 HG1 GLN 420 -11.851 -6.557 -8.649 32 HE21 GLN 420 HE21 GLN 420 -11.298 -5.184 -6.133 33 HE22 GLN 420 HE22 GLN 420 -10.362 -3.787 -6.542 34 H GLY 421 HN GLY 421 -13.934 -6.767 -12.140 35 HA2 GLY 421 HA2 GLY 421 -12.762 -9.442 -11.667 36 HA3 GLY 421 HA1 GLY 421 -13.633 -8.996 -13.128 37 H PHE 422 HN PHE 422 -11.300 -6.902 -11.539 38 HA PHE 422 HA PHE 422 -9.513 -7.345 -13.835 39 HB2 PHE 422 HB2 PHE 422 -10.768 -5.034 -13.465 40 HB3 PHE 422 HB1 PHE 422 -9.432 -4.757 -12.351 41 HD1 PHE 422 HD1 PHE 422 -7.047 -5.175 -13.307 42 HD2 PHE 422 HD2 PHE 422 -10.507 -4.560 -15.704 43 HE1 PHE 422 HE1 PHE 422 -5.616 -4.537 -15.205 44 HE2 PHE 422 HE2 PHE 422 -9.083 -3.921 -17.604 45 HZ PHE 422 HZ PHE 422 -6.633 -3.908 -17.355 46 H LEU 423 HN LEU 423 -7.742 -8.282 -13.307 47 HA LEU 423 HA LEU 423 -6.753 -8.082 -10.534 48 HB2 LEU 423 HB2 LEU 423 -6.383 -10.250 -12.599 49 HB3 LEU 423 HB1 LEU 423 -5.540 -10.218 -11.065 50 HG LEU 423 HG LEU 423 -7.290 -11.707 -10.715 51 HD11 LEU 423 HD11 LEU 423 -8.799 -10.603 -9.136 52 HD12 LEU 423 HD12 LEU 423 -8.257 -9.032 -9.730 53 HD13 LEU 423 HD13 LEU 423 -7.120 -10.107 -8.916 54 HD21 LEU 423 HD21 LEU 423 -8.554 -11.268 -12.747 55 HD22 LEU 423 HD22 LEU 423 -9.153 -9.755 -12.067 56 HD23 LEU 423 HD23 LEU 423 -9.620 -11.294 -11.344 57 HA PRO 424 HA PRO 424 -2.883 -6.242 -11.664 58 HB2 PRO 424 HB2 PRO 424 -1.464 -8.489 -10.336 59 HB3 PRO 424 HB1 PRO 424 -1.371 -6.755 -10.013 60 HG2 PRO 424 HG2 PRO 424 -2.653 -8.382 -8.344 61 HG3 PRO 424 HG1 PRO 424 -3.288 -6.763 -8.707 62 HD2 PRO 424 HD2 PRO 424 -4.164 -9.426 -9.761 63 HD3 PRO 424 HD1 PRO 424 -5.146 -8.034 -9.258 64 H LYS 425 HN LYS 425 -0.864 -6.611 -12.875 65 HA LYS 425 HA LYS 425 -1.324 -8.047 -15.212 66 HB2 LYS 425 HB2 LYS 425 1.031 -7.561 -15.768 67 HB3 LYS 425 HB1 LYS 425 0.171 -6.153 -15.168 68 HG2 LYS 425 HG2 LYS 425 1.215 -6.492 -12.958 69 HG3 LYS 425 HG1 LYS 425 2.119 -7.854 -13.620 70 HD2 LYS 425 HD2 LYS 425 3.559 -5.953 -13.642 71 HD3 LYS 425 HD1 LYS 425 3.083 -6.278 -15.309 72 HE2 LYS 425 HE2 LYS 425 2.983 -3.905 -14.894 73 HE3 LYS 425 HE1 LYS 425 1.350 -4.527 -15.116 74 HZ1 LYS 425 HZ1 LYS 425 1.500 -2.976 -13.250 75 HZ2 LYS 425 HZ2 LYS 425 2.633 -3.986 -12.490 76 HZ3 LYS 425 HZ3 LYS 425 1.045 -4.525 -12.728 77 H GLY 426 HN GLY 426 -1.642 -10.166 -15.211 78 HA2 GLY 426 HA2 GLY 426 -0.344 -12.195 -15.706 79 HA3 GLY 426 HA1 GLY 426 0.608 -11.840 -14.271 80 H TRP 427 HN TRP 427 -2.381 -10.976 -13.403 81 HA TRP 427 HA TRP 427 -2.925 -13.600 -12.205 82 HB2 TRP 427 HB2 TRP 427 -3.873 -10.828 -11.451 83 HB3 TRP 427 HB1 TRP 427 -4.417 -12.303 -10.663 84 HD1 TRP 427 HD1 TRP 427 -1.042 -10.482 -11.312 85 HE1 TRP 427 HE1 TRP 427 0.450 -10.845 -9.244 86 HE3 TRP 427 HE3 TRP 427 -4.140 -13.512 -8.600 87 HZ2 TRP 427 HZ2 TRP 427 0.329 -12.232 -6.792 88 HZ3 TRP 427 HZ3 TRP 427 -3.376 -14.320 -6.403 89 HH2 TRP 427 HH2 TRP 427 -1.184 -13.693 -5.517 90 H GLU 428 HN GLU 428 -4.550 -14.778 -12.961 91 HA GLU 428 HA GLU 428 -6.614 -13.437 -14.588 92 HB2 GLU 428 HB2 GLU 428 -5.140 -14.986 -15.841 93 HB3 GLU 428 HB1 GLU 428 -5.601 -16.287 -14.756 94 HG2 GLU 428 HG2 GLU 428 -6.766 -16.376 -16.906 95 HG3 GLU 428 HG1 GLU 428 -7.870 -16.197 -15.543 96 H VAL 429 HN VAL 429 -8.805 -14.318 -14.415 97 HA VAL 429 HA VAL 429 -9.244 -15.522 -11.764 98 HB VAL 429 HB VAL 429 -10.292 -13.362 -11.921 99 HG11 VAL 429 HG11 VAL 429 -11.724 -14.402 -14.351 100 HG12 VAL 429 HG12 VAL 429 -10.460 -13.172 -14.329 101 HG13 VAL 429 HG13 VAL 429 -12.016 -12.851 -13.565 102 HG21 VAL 429 HG21 VAL 429 -12.370 -15.534 -12.149 103 HG22 VAL 429 HG22 VAL 429 -12.618 -13.935 -11.448 104 HG23 VAL 429 HG23 VAL 429 -11.509 -15.072 -10.681 105 H ARG 430 HN ARG 430 -10.270 -17.385 -11.546 106 HA ARG 430 HA ARG 430 -11.112 -18.752 -14.004 107 HB2 ARG 430 HB2 ARG 430 -9.056 -19.471 -12.370 108 HB3 ARG 430 HB1 ARG 430 -10.374 -20.440 -11.717 109 HG2 ARG 430 HG2 ARG 430 -9.145 -21.672 -13.414 110 HG3 ARG 430 HG1 ARG 430 -10.801 -21.362 -13.941 111 HD2 ARG 430 HD2 ARG 430 -9.982 -19.413 -15.231 112 HD3 ARG 430 HD1 ARG 430 -8.336 -19.833 -14.767 113 HE ARG 430 HE ARG 430 -9.889 -21.878 -16.150 114 HH11 ARG 430 HH11 ARG 430 -7.430 -19.389 -16.320 115 HH12 ARG 430 HH12 ARG 430 -6.784 -19.950 -17.828 116 HH21 ARG 430 HH21 ARG 430 -9.039 -22.616 -18.139 117 HH22 ARG 430 HH22 ARG 430 -7.686 -21.790 -18.856 118 H HIS 431 HN HIS 431 -12.005 -21.030 -12.270 119 HA HIS 431 HA HIS 431 -14.418 -20.072 -11.100 120 HB2 HIS 431 HB2 HIS 431 -14.468 -21.107 -13.902 121 HB3 HIS 431 HB1 HIS 431 -15.780 -21.575 -12.825 122 HD1 HIS 431 HD1 HIS 431 -15.163 -19.173 -15.293 123 HD2 HIS 431 HD2 HIS 431 -16.703 -18.957 -11.433 124 HE1 HIS 431 HE1 HIS 431 -16.468 -17.024 -15.199 125 HE2 HIS 431 HE2 HIS 431 -17.165 -16.802 -12.784 126 H ALA 432 HN ALA 432 -14.372 -21.323 -9.366 127 HA ALA 432 HA ALA 432 -13.437 -24.072 -9.530 128 HB1 ALA 432 HB1 ALA 432 -13.623 -24.054 -7.089 129 HB2 ALA 432 HB2 ALA 432 -14.379 -22.461 -7.155 130 HB3 ALA 432 HB3 ALA 432 -12.703 -22.664 -7.664 131 HA PRO 433 HA PRO 433 -17.260 -26.166 -9.957 132 HB2 PRO 433 HB2 PRO 433 -17.013 -28.022 -7.879 133 HB3 PRO 433 HB1 PRO 433 -16.437 -28.226 -9.535 134 HG2 PRO 433 HG2 PRO 433 -14.941 -27.398 -7.095 135 HG3 PRO 433 HG1 PRO 433 -14.404 -28.390 -8.462 136 HD2 PRO 433 HD2 PRO 433 -13.628 -25.842 -8.207 137 HD3 PRO 433 HD1 PRO 433 -13.985 -26.540 -9.801 138 H ASN 434 HN ASN 434 -16.401 -25.168 -6.669 139 HA ASN 434 HA ASN 434 -18.988 -25.436 -5.562 140 HB2 ASN 434 HB2 ASN 434 -16.764 -23.585 -4.684 141 HB3 ASN 434 HB1 ASN 434 -18.151 -24.074 -3.719 142 HD21 ASN 434 HD21 ASN 434 -18.245 -26.155 -2.886 143 HD22 ASN 434 HD22 ASN 434 -16.842 -27.173 -2.811 144 H GLY 435 HN GLY 435 -17.749 -23.166 -7.771 145 HA2 GLY 435 HA2 GLY 435 -19.194 -21.613 -8.862 146 HA3 GLY 435 HA1 GLY 435 -20.162 -21.530 -7.398 147 H ARG 436 HN ARG 436 -16.728 -21.375 -7.134 148 HA ARG 436 HA ARG 436 -16.926 -18.495 -6.578 149 HB2 ARG 436 HB2 ARG 436 -15.254 -20.633 -5.277 150 HB3 ARG 436 HB1 ARG 436 -14.857 -18.929 -5.129 151 HG2 ARG 436 HG2 ARG 436 -17.474 -20.158 -4.300 152 HG3 ARG 436 HG1 ARG 436 -16.131 -19.803 -3.214 153 HD2 ARG 436 HD2 ARG 436 -17.595 -17.777 -4.897 154 HD3 ARG 436 HD1 ARG 436 -17.868 -18.058 -3.180 155 HE ARG 436 HE ARG 436 -15.248 -17.507 -3.217 156 HH11 ARG 436 HH11 ARG 436 -17.943 -15.898 -4.775 157 HH12 ARG 436 HH12 ARG 436 -17.219 -14.318 -4.657 158 HH21 ARG 436 HH21 ARG 436 -14.302 -15.438 -3.089 159 HH22 ARG 436 HH22 ARG 436 -15.161 -14.058 -3.717 160 HA PRO 437 HA PRO 437 -13.875 -18.189 -9.798 161 HB2 PRO 437 HB2 PRO 437 -13.729 -15.382 -9.527 162 HB3 PRO 437 HB1 PRO 437 -14.747 -16.289 -10.643 163 HG2 PRO 437 HG2 PRO 437 -15.626 -14.731 -8.475 164 HG3 PRO 437 HG1 PRO 437 -16.597 -15.871 -9.416 165 HD2 PRO 437 HD2 PRO 437 -15.323 -16.219 -6.754 166 HD3 PRO 437 HD1 PRO 437 -16.803 -16.948 -7.409 167 H PHE 438 HN PHE 438 -12.021 -19.072 -8.864 168 HA PHE 438 HA PHE 438 -10.516 -17.472 -6.963 169 HB2 PHE 438 HB2 PHE 438 -9.006 -19.382 -6.801 170 HB3 PHE 438 HB1 PHE 438 -10.669 -19.905 -6.597 171 HD1 PHE 438 HD2 PHE 438 -11.771 -21.225 -8.347 172 HD2 PHE 438 HD1 PHE 438 -7.681 -20.104 -8.646 173 HE1 PHE 438 HE2 PHE 438 -11.437 -22.920 -10.097 174 HE2 PHE 438 HE1 PHE 438 -7.338 -21.797 -10.399 175 HZ PHE 438 HZ PHE 438 -9.219 -23.211 -11.126 176 H PHE 439 HN PHE 439 -8.526 -16.574 -7.356 177 HA PHE 439 HA PHE 439 -8.003 -15.952 -10.143 178 HB2 PHE 439 HB2 PHE 439 -6.607 -14.836 -7.710 179 HB3 PHE 439 HB1 PHE 439 -6.681 -14.140 -9.328 180 HD1 PHE 439 HD1 PHE 439 -9.043 -13.509 -10.200 181 HD2 PHE 439 HD2 PHE 439 -8.118 -14.153 -6.095 182 HE1 PHE 439 HE1 PHE 439 -11.041 -12.225 -9.549 183 HE2 PHE 439 HE2 PHE 439 -10.112 -12.872 -5.440 184 HZ PHE 439 HZ PHE 439 -11.577 -11.906 -7.167 185 H ILE 440 HN ILE 440 -5.939 -16.104 -11.076 186 HA ILE 440 HA ILE 440 -4.151 -18.113 -9.861 187 HB ILE 440 HB ILE 440 -4.789 -17.886 -12.807 188 HG12 ILE 440 HG12 ILE 440 -5.728 -20.017 -10.877 189 HG13 ILE 440 HG11 ILE 440 -6.731 -18.684 -11.439 190 HG21 ILE 440 HG21 ILE 440 -2.571 -18.763 -12.351 191 HG22 ILE 440 HG22 ILE 440 -3.618 -20.042 -12.964 192 HG23 ILE 440 HG23 ILE 440 -3.250 -19.956 -11.242 193 HD11 ILE 440 HD11 ILE 440 -7.200 -20.712 -12.673 194 HD12 ILE 440 HD12 ILE 440 -5.509 -20.830 -13.159 195 HD13 ILE 440 HD13 ILE 440 -6.502 -19.488 -13.732 196 H ASP 441 HN ASP 441 -2.154 -17.403 -9.647 197 HA ASP 441 HA ASP 441 -1.286 -14.995 -11.056 198 HB2 ASP 441 HB2 ASP 441 -0.754 -14.923 -8.746 199 HB3 ASP 441 HB1 ASP 441 -0.140 -16.573 -8.756 200 H HIS 442 HN HIS 442 -0.308 -15.195 -12.952 201 HA HIS 442 HA HIS 442 0.758 -17.693 -13.862 202 HB2 HIS 442 HB2 HIS 442 0.758 -14.924 -15.058 203 HB3 HIS 442 HB1 HIS 442 1.473 -16.314 -15.863 204 HD1 HIS 442 HD1 HIS 442 -0.121 -16.463 -17.802 205 HD2 HIS 442 HD2 HIS 442 -2.071 -16.448 -14.123 206 HE1 HIS 442 HE1 HIS 442 -2.528 -16.981 -18.307 207 HE2 HIS 442 HE2 HIS 442 -3.637 -17.188 -16.056 208 H ASN 443 HN ASN 443 2.080 -15.199 -12.002 209 HA ASN 443 HA ASN 443 4.716 -15.185 -13.065 210 HB2 ASN 443 HB2 ASN 443 3.677 -14.323 -10.365 211 HB3 ASN 443 HB1 ASN 443 5.333 -14.072 -10.907 212 HD21 ASN 443 HD21 ASN 443 2.053 -13.049 -11.144 213 HD22 ASN 443 HD22 ASN 443 2.340 -11.661 -12.151 214 H THR 444 HN THR 444 3.444 -16.654 -10.055 215 HA THR 444 HA THR 444 5.757 -18.488 -10.168 216 HB THR 444 HB THR 444 5.631 -17.025 -8.146 217 HG1 THR 444 HG1 THR 444 5.497 -19.845 -7.963 218 HG21 THR 444 HG21 THR 444 3.195 -16.918 -7.906 219 HG22 THR 444 HG22 THR 444 3.959 -17.505 -6.428 220 HG23 THR 444 HG23 THR 444 3.157 -18.639 -7.516 221 H LYS 445 HN LYS 445 2.747 -18.421 -11.134 222 HA LYS 445 HA LYS 445 1.093 -19.885 -11.572 223 HB2 LYS 445 HB2 LYS 445 3.304 -21.895 -11.131 224 HB3 LYS 445 HB1 LYS 445 1.709 -22.317 -11.733 225 HG2 LYS 445 HG2 LYS 445 2.732 -22.094 -13.724 226 HG3 LYS 445 HG1 LYS 445 2.328 -20.394 -13.485 227 HD2 LYS 445 HD2 LYS 445 4.649 -20.630 -14.187 228 HD3 LYS 445 HD1 LYS 445 4.564 -20.011 -12.533 229 HE2 LYS 445 HE2 LYS 445 5.042 -22.203 -11.645 230 HE3 LYS 445 HE1 LYS 445 4.985 -22.909 -13.258 231 HZ1 LYS 445 HZ1 LYS 445 7.256 -22.481 -12.349 232 HZ2 LYS 445 HZ2 LYS 445 6.941 -20.819 -12.475 233 HZ3 LYS 445 HZ3 LYS 445 6.960 -21.787 -13.868 234 H THR 446 HN THR 446 0.394 -18.973 -9.398 235 HA THR 446 HA THR 446 -0.232 -21.269 -7.673 236 HB THR 446 HB THR 446 1.464 -19.790 -6.575 237 HG1 THR 446 HG1 THR 446 0.286 -20.834 -5.088 238 HG21 THR 446 HG21 THR 446 -0.771 -17.754 -6.630 239 HG22 THR 446 HG22 THR 446 0.765 -17.637 -7.491 240 HG23 THR 446 HG23 THR 446 0.737 -17.597 -5.727 241 H THR 447 HN THR 447 -2.302 -21.198 -6.691 242 HA THR 447 HA THR 447 -4.167 -19.349 -8.013 243 HB THR 447 HB THR 447 -5.878 -21.164 -7.343 244 HG1 THR 447 HG1 THR 447 -4.404 -23.261 -7.476 245 HG21 THR 447 HG21 THR 447 -3.759 -21.812 -9.397 246 HG22 THR 447 HG22 THR 447 -5.158 -20.772 -9.657 247 HG23 THR 447 HG23 THR 447 -5.386 -22.492 -9.342 248 H THR 448 HN THR 448 -5.646 -18.203 -6.775 249 HA THR 448 HA THR 448 -5.519 -18.614 -3.876 250 HB THR 448 HB THR 448 -3.913 -16.830 -4.396 251 HG1 THR 448 HG1 THR 448 -4.838 -15.253 -2.963 252 HG21 THR 448 HG21 THR 448 -4.913 -15.963 -6.441 253 HG22 THR 448 HG22 THR 448 -4.707 -14.668 -5.260 254 HG23 THR 448 HG23 THR 448 -6.302 -15.371 -5.530 255 H TRP 449 HN TRP 449 -7.340 -18.166 -2.761 256 HA TRP 449 HA TRP 449 -9.748 -17.599 -4.330 257 HB2 TRP 449 HB2 TRP 449 -9.333 -18.754 -1.566 258 HB3 TRP 449 HB1 TRP 449 -10.921 -18.328 -2.196 259 HD1 TRP 449 HD1 TRP 449 -7.955 -20.414 -3.629 260 HE1 TRP 449 HE1 TRP 449 -8.928 -22.597 -4.577 261 HE3 TRP 449 HE3 TRP 449 -12.899 -19.649 -2.538 262 HZ2 TRP 449 HZ2 TRP 449 -11.442 -23.829 -4.829 263 HZ3 TRP 449 HZ3 TRP 449 -14.520 -21.389 -3.169 264 HH2 TRP 449 HH2 TRP 449 -13.805 -23.434 -4.290 265 H GLU 450 HN GLU 450 -7.490 -16.081 -2.536 266 HA GLU 450 HA GLU 450 -9.197 -14.124 -1.226 267 HB2 GLU 450 HB2 GLU 450 -7.228 -15.041 -0.066 268 HB3 GLU 450 HB1 GLU 450 -6.189 -14.453 -1.352 269 HG2 GLU 450 HG2 GLU 450 -6.824 -12.148 -0.759 270 HG3 GLU 450 HG1 GLU 450 -7.779 -12.787 0.581 271 H ASP 451 HN ASP 451 -8.923 -11.812 -1.675 272 HA ASP 451 HA ASP 451 -8.520 -11.379 -4.542 273 HB2 ASP 451 HB2 ASP 451 -10.597 -10.496 -3.735 274 HB3 ASP 451 HB1 ASP 451 -9.794 -9.644 -2.419 275 HA PRO 452 HA PRO 452 -4.617 -9.476 -3.621 276 HB2 PRO 452 HB2 PRO 452 -3.758 -9.233 -6.143 277 HB3 PRO 452 HB1 PRO 452 -3.886 -10.808 -5.354 278 HG2 PRO 452 HG2 PRO 452 -5.699 -9.544 -7.360 279 HG3 PRO 452 HG1 PRO 452 -5.219 -11.242 -7.190 280 HD2 PRO 452 HD2 PRO 452 -7.610 -10.134 -6.280 281 HD3 PRO 452 HD1 PRO 452 -6.921 -11.679 -5.749 282 H ARG 453 HN ARG 453 -7.290 -7.953 -5.195 283 HA ARG 453 HA ARG 453 -5.936 -5.529 -5.826 284 HB2 ARG 453 HB2 ARG 453 -8.871 -6.143 -5.532 285 HB3 ARG 453 HB1 ARG 453 -8.225 -4.626 -6.138 286 HG2 ARG 453 HG2 ARG 453 -7.838 -7.332 -7.397 287 HG3 ARG 453 HG1 ARG 453 -8.950 -6.081 -7.948 288 HD2 ARG 453 HD2 ARG 453 -5.940 -5.984 -7.911 289 HD3 ARG 453 HD1 ARG 453 -7.001 -5.977 -9.320 290 HE ARG 453 HE ARG 453 -6.853 -3.755 -7.375 291 HH11 ARG 453 HH11 ARG 453 -7.179 -4.942 -10.654 292 HH12 ARG 453 HH12 ARG 453 -7.217 -3.351 -11.363 293 HH21 ARG 453 HH21 ARG 453 -6.907 -1.690 -8.264 294 HH22 ARG 453 HH22 ARG 453 -7.057 -1.479 -9.987 295 H LEU 454 HN LEU 454 -8.114 -6.490 -3.150 296 HA LEU 454 HA LEU 454 -7.923 -3.867 -1.969 297 HB2 LEU 454 HB2 LEU 454 -9.272 -4.823 -0.132 298 HB3 LEU 454 HB1 LEU 454 -9.991 -5.019 -1.715 299 HG LEU 454 HG LEU 454 -8.927 -7.405 -1.609 300 HD11 LEU 454 HD11 LEU 454 -8.855 -8.319 0.660 301 HD12 LEU 454 HD12 LEU 454 -9.099 -6.701 1.318 302 HD13 LEU 454 HD13 LEU 454 -7.630 -7.074 0.418 303 HD21 LEU 454 HD21 LEU 454 -10.974 -8.247 -0.583 304 HD22 LEU 454 HD22 LEU 454 -11.313 -6.921 -1.696 305 HD23 LEU 454 HD23 LEU 454 -11.327 -6.636 0.045 306 H LYS 455 HN LYS 455 -6.005 -6.649 -1.838 307 HA LYS 455 HA LYS 455 -4.336 -5.382 0.178 308 HB2 LYS 455 HB2 LYS 455 -4.021 -7.484 1.434 309 HB3 LYS 455 HB1 LYS 455 -5.677 -6.902 1.530 310 HG2 LYS 455 HG2 LYS 455 -6.377 -8.530 -0.120 311 HG3 LYS 455 HG1 LYS 455 -4.711 -9.072 -0.317 312 HD2 LYS 455 HD2 LYS 455 -6.260 -9.207 2.265 313 HD3 LYS 455 HD1 LYS 455 -6.079 -10.550 1.136 314 HE2 LYS 455 HE2 LYS 455 -3.610 -10.353 1.401 315 HE3 LYS 455 HE1 LYS 455 -3.883 -9.132 2.646 316 HZ1 LYS 455 HZ1 LYS 455 -5.042 -10.746 3.974 317 HZ2 LYS 455 HZ2 LYS 455 -3.524 -11.377 3.553 318 HZ3 LYS 455 HZ3 LYS 455 -4.917 -11.918 2.752 319 H ILE 456 HN ILE 456 -2.128 -5.934 -0.044 320 HA ILE 456 HA ILE 456 -1.514 -7.589 -2.384 321 HB ILE 456 HB ILE 456 -0.373 -4.829 -1.854 322 HG12 ILE 456 HG12 ILE 456 -1.136 -4.606 -4.350 323 HG13 ILE 456 HG11 ILE 456 -2.178 -5.971 -3.966 324 HG21 ILE 456 HG21 ILE 456 1.032 -5.203 -3.839 325 HG22 ILE 456 HG22 ILE 456 0.458 -6.868 -3.915 326 HG23 ILE 456 HG23 ILE 456 1.411 -6.329 -2.534 327 HD11 ILE 456 HD11 ILE 456 -2.179 -3.307 -2.565 328 HD12 ILE 456 HD12 ILE 456 -3.236 -4.670 -2.197 329 HD13 ILE 456 HD13 ILE 456 -3.354 -3.858 -3.758 330 HA PRO 457 HA PRO 457 1.200 -9.235 0.781 331 HB2 PRO 457 HB2 PRO 457 2.222 -11.225 -0.778 332 HB3 PRO 457 HB1 PRO 457 0.653 -11.337 0.029 333 HG2 PRO 457 HG2 PRO 457 1.277 -10.645 -2.813 334 HG3 PRO 457 HG1 PRO 457 -0.010 -11.680 -2.168 335 HD2 PRO 457 HD2 PRO 457 -0.456 -9.134 -2.966 336 HD3 PRO 457 HD1 PRO 457 -1.357 -9.885 -1.632 337 H ALA 458 HN ALA 458 3.310 -8.808 1.253 338 HA ALA 458 HA ALA 458 5.130 -8.125 -0.945 339 HB1 ALA 458 HB1 ALA 458 5.869 -6.100 0.203 340 HB2 ALA 458 HB2 ALA 458 4.677 -6.371 1.474 341 HB3 ALA 458 HB3 ALA 458 4.148 -6.016 -0.170 342 H1 THR 638 HN THR 638 -15.651 -25.874 -0.808 343 HA THR 638 HA THR 638 -13.741 -24.060 -1.956 344 HB THR 638 HB THR 638 -13.147 -25.068 0.832 345 HG1 THR 638 HG1 THR 638 -14.644 -22.943 0.041 346 HG21 THR 638 HG21 THR 638 -11.767 -23.030 -0.929 347 HG22 THR 638 HG22 THR 638 -11.181 -24.655 -0.575 348 HG23 THR 638 HG23 THR 638 -11.291 -23.458 0.714 349 H ALA 639 HN ALA 639 -13.164 -25.476 -3.495 350 HA ALA 639 HA ALA 639 -12.060 -28.060 -2.616 351 HB1 ALA 639 HB1 ALA 639 -12.637 -28.952 -4.827 352 HB2 ALA 639 HB2 ALA 639 -13.361 -27.404 -5.263 353 HB3 ALA 639 HB3 ALA 639 -14.070 -28.377 -3.974 354 HA PRO 640 HA PRO 640 -8.158 -26.533 -3.998 355 HB2 PRO 640 HB2 PRO 640 -7.082 -28.940 -4.866 356 HB3 PRO 640 HB1 PRO 640 -7.060 -28.364 -3.195 357 HG2 PRO 640 HG2 PRO 640 -8.918 -30.297 -4.512 358 HG3 PRO 640 HG1 PRO 640 -8.220 -30.342 -2.881 359 HD2 PRO 640 HD2 PRO 640 -10.758 -29.585 -3.294 360 HD3 PRO 640 HD1 PRO 640 -9.753 -28.809 -2.051 361 HA PRO 641 HA PRO 641 -8.869 -26.258 -8.381 362 HB2 PRO 641 HB2 PRO 641 -7.267 -24.145 -8.821 363 HB3 PRO 641 HB1 PRO 641 -8.809 -23.993 -7.978 364 HG2 PRO 641 HG2 PRO 641 -6.056 -23.931 -6.894 365 HG3 PRO 641 HG1 PRO 641 -7.521 -23.134 -6.302 366 HD2 PRO 641 HD2 PRO 641 -6.366 -25.529 -5.326 367 HD3 PRO 641 HD1 PRO 641 -7.936 -24.838 -4.876 368 HA PRO 642 HA PRO 642 -5.512 -28.500 -10.174 369 HB2 PRO 642 HB2 PRO 642 -6.239 -27.352 -12.769 370 HB3 PRO 642 HB1 PRO 642 -6.381 -29.021 -12.207 371 HG2 PRO 642 HG2 PRO 642 -8.541 -27.460 -12.616 372 HG3 PRO 642 HG1 PRO 642 -8.491 -28.683 -11.335 373 HD2 PRO 642 HD2 PRO 642 -8.078 -25.723 -11.139 374 HD3 PRO 642 HD1 PRO 642 -9.012 -26.800 -10.076 375 H ALA 643 HN ALA 643 -3.599 -28.234 -11.572 376 HA ALA 643 HA ALA 643 -2.257 -25.774 -10.988 377 HB1 ALA 643 HB1 ALA 643 -1.331 -28.133 -12.626 378 HB2 ALA 643 HB2 ALA 643 -1.093 -27.921 -10.891 379 HB3 ALA 643 HB3 ALA 643 -0.318 -26.818 -12.026 380 H TYR 644 HN TYR 644 -0.855 -24.827 -12.807 381 HA TYR 644 HA TYR 644 -2.612 -23.459 -14.523 382 HB2 TYR 644 HB2 TYR 644 -0.555 -22.451 -13.657 383 HB3 TYR 644 HB1 TYR 644 0.409 -23.605 -14.568 384 HD1 TYR 644 HD2 TYR 644 -1.895 -20.721 -14.896 385 HD2 TYR 644 HD1 TYR 644 0.952 -23.212 -16.846 386 HE1 TYR 644 HE2 TYR 644 -1.830 -19.158 -16.792 387 HE2 TYR 644 HE1 TYR 644 1.023 -21.653 -18.745 388 HH TYR 644 HH TYR 644 -0.349 -19.928 -19.779 389 H ALA 645 HN ALA 645 -0.179 -25.956 -15.197 390 HA ALA 645 HA ALA 645 -0.676 -25.956 -18.011 391 HB1 ALA 645 HB1 ALA 645 0.678 -28.044 -16.304 392 HB2 ALA 645 HB2 ALA 645 1.470 -26.678 -17.091 393 HB3 ALA 645 HB3 ALA 645 0.732 -27.950 -18.064 394 H THR 646 HN THR 646 -2.222 -27.292 -15.323 395 HA THR 646 HA THR 646 -3.498 -29.494 -16.632 396 HB THR 646 HB THR 646 -4.218 -28.082 -14.057 397 HG1 THR 646 HG1 THR 646 -2.876 -30.535 -14.068 398 HG21 THR 646 HG21 THR 646 -4.906 -30.848 -15.053 399 HG22 THR 646 HG22 THR 646 -6.019 -29.486 -14.916 400 HG23 THR 646 HG23 THR 646 -5.305 -30.189 -13.466 401 H LEU 647 HN LEU 647 -4.192 -26.122 -16.005 402 HA LEU 647 HA LEU 647 -6.902 -26.419 -17.051 403 HB2 LEU 647 HB2 LEU 647 -7.222 -24.105 -16.227 404 HB3 LEU 647 HB1 LEU 647 -6.760 -25.249 -14.983 405 HG LEU 647 HG LEU 647 -4.345 -24.330 -15.449 406 HD11 LEU 647 HD11 LEU 647 -4.340 -21.954 -15.990 407 HD12 LEU 647 HD12 LEU 647 -6.071 -22.021 -16.318 408 HD13 LEU 647 HD13 LEU 647 -4.945 -22.919 -17.336 409 HD21 LEU 647 HD21 LEU 647 -5.508 -24.208 -13.327 410 HD22 LEU 647 HD22 LEU 647 -6.443 -22.826 -13.896 411 HD23 LEU 647 HD23 LEU 647 -4.700 -22.680 -13.673 412 H GLY 648 HN GLY 648 -3.800 -25.400 -18.036 413 HA2 GLY 648 HA2 GLY 648 -4.077 -25.231 -20.658 414 HA3 GLY 648 HA1 GLY 648 -4.840 -23.720 -20.189 Start of MODEL 9 1 H1 GLY 416 HT1 GLY 416 -13.440 4.611 -9.516 2 H2 GLY 416 HT2 GLY 416 -14.874 3.709 -9.527 3 H3 GLY 416 HT3 GLY 416 -14.377 4.530 -10.927 4 HA2 GLY 416 HA1 GLY 416 -13.927 2.178 -11.136 5 HA3 GLY 416 HA2 GLY 416 -12.439 3.115 -11.113 6 H SER 417 HN SER 417 -14.425 0.829 -9.440 7 HA SER 417 HA SER 417 -12.683 0.774 -7.111 8 HB2 SER 417 HB2 SER 417 -15.083 -0.950 -7.769 9 HB3 SER 417 HB1 SER 417 -14.289 -0.811 -6.201 10 HG SER 417 HG SER 417 -14.812 1.596 -6.613 11 H MET 418 HN MET 418 -11.724 -1.231 -6.382 12 HA MET 418 HA MET 418 -10.432 -2.636 -8.538 13 HB2 MET 418 HB2 MET 418 -10.245 -3.095 -5.554 14 HB3 MET 418 HB1 MET 418 -9.157 -3.746 -6.769 15 HG2 MET 418 HG2 MET 418 -8.015 -1.953 -5.776 16 HG3 MET 418 HG1 MET 418 -8.573 -1.348 -7.335 17 HE1 MET 418 HE1 MET 418 -7.548 0.498 -4.926 18 HE2 MET 418 HE2 MET 418 -8.735 1.804 -4.986 19 HE3 MET 418 HE3 MET 418 -8.078 1.139 -6.483 20 H GLU 419 HN GLU 419 -12.390 -3.556 -9.416 21 HA GLU 419 HA GLU 419 -13.752 -5.588 -7.843 22 HB2 GLU 419 HB2 GLU 419 -14.249 -4.550 -10.638 23 HB3 GLU 419 HB1 GLU 419 -15.241 -5.759 -9.831 24 HG2 GLU 419 HG2 GLU 419 -15.817 -4.155 -8.101 25 HG3 GLU 419 HG1 GLU 419 -14.800 -2.938 -8.878 26 H GLN 420 HN GLN 420 -14.494 -7.431 -9.666 27 HA GLN 420 HA GLN 420 -12.041 -8.966 -9.919 28 HB2 GLN 420 HB2 GLN 420 -13.641 -10.835 -10.527 29 HB3 GLN 420 HB1 GLN 420 -13.815 -10.181 -8.905 30 HG2 GLN 420 HG2 GLN 420 -15.750 -8.906 -9.582 31 HG3 GLN 420 HG1 GLN 420 -15.533 -9.410 -11.257 32 HE21 GLN 420 HE21 GLN 420 -14.827 -12.130 -10.558 33 HE22 GLN 420 HE22 GLN 420 -16.294 -12.908 -10.063 34 H GLY 421 HN GLY 421 -11.541 -7.239 -11.621 35 HA2 GLY 421 HA2 GLY 421 -11.719 -8.465 -14.196 36 HA3 GLY 421 HA1 GLY 421 -12.740 -7.037 -14.095 37 H PHE 422 HN PHE 422 -10.569 -6.102 -12.048 38 HA PHE 422 HA PHE 422 -8.749 -5.045 -14.098 39 HB2 PHE 422 HB2 PHE 422 -9.528 -3.763 -11.465 40 HB3 PHE 422 HB1 PHE 422 -8.506 -3.054 -12.712 41 HD1 PHE 422 HD1 PHE 422 -9.520 -2.461 -14.924 42 HD2 PHE 422 HD2 PHE 422 -11.875 -3.600 -11.565 43 HE1 PHE 422 HE1 PHE 422 -11.504 -1.460 -15.981 44 HE2 PHE 422 HE2 PHE 422 -13.862 -2.600 -12.614 45 HZ PHE 422 HZ PHE 422 -13.677 -1.529 -14.824 46 H LEU 423 HN LEU 423 -7.952 -7.358 -13.391 47 HA LEU 423 HA LEU 423 -6.555 -7.586 -10.926 48 HB2 LEU 423 HB2 LEU 423 -6.503 -9.180 -13.486 49 HB3 LEU 423 HB1 LEU 423 -5.478 -9.576 -12.124 50 HG LEU 423 HG LEU 423 -7.373 -11.034 -12.094 51 HD11 LEU 423 HD11 LEU 423 -6.589 -10.275 -9.919 52 HD12 LEU 423 HD12 LEU 423 -8.329 -10.551 -9.901 53 HD13 LEU 423 HD13 LEU 423 -7.699 -8.905 -9.982 54 HD21 LEU 423 HD21 LEU 423 -8.920 -9.728 -13.435 55 HD22 LEU 423 HD22 LEU 423 -9.094 -8.555 -12.128 56 HD23 LEU 423 HD23 LEU 423 -9.676 -10.208 -11.915 57 HA PRO 424 HA PRO 424 -2.613 -5.766 -11.873 58 HB2 PRO 424 HB2 PRO 424 -1.327 -8.136 -10.661 59 HB3 PRO 424 HB1 PRO 424 -1.228 -6.440 -10.180 60 HG2 PRO 424 HG2 PRO 424 -2.607 -8.214 -8.727 61 HG3 PRO 424 HG1 PRO 424 -3.165 -6.544 -8.925 62 HD2 PRO 424 HD2 PRO 424 -4.119 -9.031 -10.295 63 HD3 PRO 424 HD1 PRO 424 -5.057 -7.660 -9.664 64 H LYS 425 HN LYS 425 -0.749 -6.094 -13.228 65 HA LYS 425 HA LYS 425 -1.399 -7.658 -15.503 66 HB2 LYS 425 HB2 LYS 425 -0.078 -5.470 -15.409 67 HB3 LYS 425 HB1 LYS 425 1.303 -6.450 -14.939 68 HG2 LYS 425 HG2 LYS 425 1.365 -6.008 -17.308 69 HG3 LYS 425 HG1 LYS 425 1.086 -7.727 -17.025 70 HD2 LYS 425 HD2 LYS 425 -1.310 -7.407 -17.419 71 HD3 LYS 425 HD1 LYS 425 -1.040 -5.684 -17.684 72 HE2 LYS 425 HE2 LYS 425 -1.257 -6.856 -19.800 73 HE3 LYS 425 HE1 LYS 425 0.373 -6.208 -19.612 74 HZ1 LYS 425 HZ1 LYS 425 0.324 -8.494 -20.484 75 HZ2 LYS 425 HZ2 LYS 425 -0.391 -9.025 -19.041 76 HZ3 LYS 425 HZ3 LYS 425 1.177 -8.375 -19.024 77 H GLY 426 HN GLY 426 -1.352 -9.818 -15.395 78 HA2 GLY 426 HA2 GLY 426 0.427 -11.567 -15.833 79 HA3 GLY 426 HA1 GLY 426 1.070 -11.080 -14.272 80 H TRP 427 HN TRP 427 -1.999 -10.710 -13.685 81 HA TRP 427 HA TRP 427 -2.256 -13.323 -12.484 82 HB2 TRP 427 HB2 TRP 427 -3.820 -10.772 -12.225 83 HB3 TRP 427 HB1 TRP 427 -4.397 -12.284 -11.528 84 HD1 TRP 427 HD1 TRP 427 -1.306 -9.952 -11.297 85 HE1 TRP 427 HE1 TRP 427 -0.294 -10.196 -8.939 86 HE3 TRP 427 HE3 TRP 427 -4.347 -13.644 -9.488 87 HZ2 TRP 427 HZ2 TRP 427 -0.734 -11.745 -6.623 88 HZ3 TRP 427 HZ3 TRP 427 -3.986 -14.448 -7.189 89 HH2 TRP 427 HH2 TRP 427 -2.217 -13.517 -5.788 90 H GLU 428 HN GLU 428 -4.577 -14.231 -12.432 91 HA GLU 428 HA GLU 428 -5.885 -14.206 -15.034 92 HB2 GLU 428 HB2 GLU 428 -4.066 -15.840 -15.299 93 HB3 GLU 428 HB1 GLU 428 -4.529 -16.625 -13.799 94 HG2 GLU 428 HG2 GLU 428 -5.374 -18.033 -15.413 95 HG3 GLU 428 HG1 GLU 428 -6.774 -17.061 -14.976 96 H VAL 429 HN VAL 429 -8.115 -14.768 -14.755 97 HA VAL 429 HA VAL 429 -8.859 -15.462 -12.003 98 HB VAL 429 HB VAL 429 -10.579 -14.382 -14.254 99 HG11 VAL 429 HG11 VAL 429 -11.244 -14.836 -11.345 100 HG12 VAL 429 HG12 VAL 429 -11.852 -15.779 -12.706 101 HG13 VAL 429 HG13 VAL 429 -12.300 -14.082 -12.540 102 HG21 VAL 429 HG21 VAL 429 -10.641 -12.312 -12.957 103 HG22 VAL 429 HG22 VAL 429 -8.995 -12.721 -13.442 104 HG23 VAL 429 HG23 VAL 429 -9.527 -13.014 -11.785 105 H ARG 430 HN ARG 430 -9.883 -17.368 -11.572 106 HA ARG 430 HA ARG 430 -10.576 -19.022 -13.900 107 HB2 ARG 430 HB2 ARG 430 -8.336 -19.538 -12.668 108 HB3 ARG 430 HB1 ARG 430 -9.373 -20.255 -11.444 109 HG2 ARG 430 HG2 ARG 430 -8.340 -21.669 -13.429 110 HG3 ARG 430 HG1 ARG 430 -9.925 -22.032 -12.757 111 HD2 ARG 430 HD2 ARG 430 -9.864 -22.043 -15.235 112 HD3 ARG 430 HD1 ARG 430 -11.014 -20.889 -14.570 113 HE ARG 430 HE ARG 430 -8.777 -19.399 -14.980 114 HH11 ARG 430 HH11 ARG 430 -10.663 -21.542 -16.989 115 HH12 ARG 430 HH12 ARG 430 -10.371 -20.656 -18.457 116 HH21 ARG 430 HH21 ARG 430 -8.378 -18.205 -16.916 117 HH22 ARG 430 HH22 ARG 430 -9.059 -18.765 -18.409 118 H HIS 431 HN HIS 431 -11.362 -21.233 -12.091 119 HA HIS 431 HA HIS 431 -13.677 -20.276 -10.764 120 HB2 HIS 431 HB2 HIS 431 -14.013 -21.414 -13.540 121 HB3 HIS 431 HB1 HIS 431 -15.302 -21.474 -12.345 122 HD1 HIS 431 HD1 HIS 431 -13.847 -19.332 -14.903 123 HD2 HIS 431 HD2 HIS 431 -16.157 -18.813 -11.481 124 HE1 HIS 431 HE1 HIS 431 -14.816 -17.014 -15.079 125 HE2 HIS 431 HE2 HIS 431 -16.051 -16.655 -12.906 126 H ALA 432 HN ALA 432 -14.245 -21.755 -9.280 127 HA ALA 432 HA ALA 432 -13.194 -24.467 -9.573 128 HB1 ALA 432 HB1 ALA 432 -14.539 -23.124 -7.221 129 HB2 ALA 432 HB2 ALA 432 -12.802 -23.346 -7.431 130 HB3 ALA 432 HB3 ALA 432 -13.852 -24.748 -7.219 131 HA PRO 433 HA PRO 433 -17.012 -26.226 -10.921 132 HB2 PRO 433 HB2 PRO 433 -17.111 -28.493 -9.331 133 HB3 PRO 433 HB1 PRO 433 -16.197 -28.348 -10.837 134 HG2 PRO 433 HG2 PRO 433 -15.254 -28.058 -8.014 135 HG3 PRO 433 HG1 PRO 433 -14.459 -28.854 -9.386 136 HD2 PRO 433 HD2 PRO 433 -13.695 -26.426 -8.572 137 HD3 PRO 433 HD1 PRO 433 -13.749 -26.833 -10.301 138 H ASN 434 HN ASN 434 -16.500 -25.442 -7.613 139 HA ASN 434 HA ASN 434 -19.204 -25.969 -6.774 140 HB2 ASN 434 HB2 ASN 434 -16.915 -24.550 -5.401 141 HB3 ASN 434 HB1 ASN 434 -18.486 -24.827 -4.659 142 HD21 ASN 434 HD21 ASN 434 -17.761 -26.134 -3.035 143 HD22 ASN 434 HD22 ASN 434 -17.121 -27.722 -3.306 144 H GLY 435 HN GLY 435 -17.735 -23.520 -8.543 145 HA2 GLY 435 HA2 GLY 435 -19.140 -21.815 -9.502 146 HA3 GLY 435 HA1 GLY 435 -20.031 -21.749 -7.990 147 H ARG 436 HN ARG 436 -17.242 -21.903 -6.702 148 HA ARG 436 HA ARG 436 -16.948 -19.043 -6.444 149 HB2 ARG 436 HB2 ARG 436 -15.828 -21.420 -5.020 150 HB3 ARG 436 HB1 ARG 436 -15.027 -19.863 -4.851 151 HG2 ARG 436 HG2 ARG 436 -17.957 -20.254 -4.320 152 HG3 ARG 436 HG1 ARG 436 -16.718 -20.443 -3.079 153 HD2 ARG 436 HD2 ARG 436 -17.119 -17.952 -4.730 154 HD3 ARG 436 HD1 ARG 436 -17.776 -18.190 -3.110 155 HE ARG 436 HE ARG 436 -15.126 -18.675 -2.784 156 HH11 ARG 436 HH11 ARG 436 -16.899 -15.989 -4.177 157 HH12 ARG 436 HH12 ARG 436 -15.705 -14.806 -3.739 158 HH21 ARG 436 HH21 ARG 436 -13.571 -17.130 -2.203 159 HH22 ARG 436 HH22 ARG 436 -13.816 -15.454 -2.592 160 HA PRO 437 HA PRO 437 -13.627 -18.933 -9.435 161 HB2 PRO 437 HB2 PRO 437 -13.541 -16.082 -9.080 162 HB3 PRO 437 HB1 PRO 437 -14.222 -16.991 -10.428 163 HG2 PRO 437 HG2 PRO 437 -15.700 -15.503 -8.643 164 HG3 PRO 437 HG1 PRO 437 -16.341 -16.846 -9.605 165 HD2 PRO 437 HD2 PRO 437 -15.469 -16.808 -6.744 166 HD3 PRO 437 HD1 PRO 437 -16.842 -17.648 -7.497 167 H PHE 438 HN PHE 438 -11.442 -18.883 -9.232 168 HA PHE 438 HA PHE 438 -10.331 -17.551 -6.871 169 HB2 PHE 438 HB2 PHE 438 -8.626 -19.320 -6.690 170 HB3 PHE 438 HB1 PHE 438 -10.248 -19.945 -6.452 171 HD1 PHE 438 HD2 PHE 438 -11.289 -21.360 -8.175 172 HD2 PHE 438 HD1 PHE 438 -7.257 -20.039 -8.494 173 HE1 PHE 438 HE2 PHE 438 -10.858 -23.093 -9.866 174 HE2 PHE 438 HE1 PHE 438 -6.820 -21.769 -10.186 175 HZ PHE 438 HZ PHE 438 -8.621 -23.299 -10.871 176 H PHE 439 HN PHE 439 -7.981 -17.048 -7.118 177 HA PHE 439 HA PHE 439 -7.603 -15.984 -9.829 178 HB2 PHE 439 HB2 PHE 439 -6.407 -15.022 -7.226 179 HB3 PHE 439 HB1 PHE 439 -6.256 -14.240 -8.797 180 HD1 PHE 439 HD2 PHE 439 -8.300 -13.297 -9.885 181 HD2 PHE 439 HD1 PHE 439 -8.275 -14.642 -5.847 182 HE1 PHE 439 HE2 PHE 439 -10.345 -11.999 -9.443 183 HE2 PHE 439 HE1 PHE 439 -10.316 -13.348 -5.397 184 HZ PHE 439 HZ PHE 439 -11.353 -12.022 -7.195 185 H ILE 440 HN ILE 440 -5.647 -16.098 -10.850 186 HA ILE 440 HA ILE 440 -3.640 -17.926 -9.704 187 HB ILE 440 HB ILE 440 -4.440 -17.800 -12.624 188 HG12 ILE 440 HG12 ILE 440 -5.097 -19.931 -10.573 189 HG13 ILE 440 HG11 ILE 440 -6.247 -18.772 -11.237 190 HG21 ILE 440 HG21 ILE 440 -2.123 -18.452 -12.252 191 HG22 ILE 440 HG22 ILE 440 -3.070 -19.816 -12.845 192 HG23 ILE 440 HG23 ILE 440 -2.645 -19.715 -11.138 193 HD11 ILE 440 HD11 ILE 440 -6.483 -20.926 -12.313 194 HD12 ILE 440 HD12 ILE 440 -4.782 -20.906 -12.775 195 HD13 ILE 440 HD13 ILE 440 -5.897 -19.728 -13.467 196 H ASP 441 HN ASP 441 -1.489 -17.422 -10.176 197 HA ASP 441 HA ASP 441 -1.052 -14.839 -11.533 198 HB2 ASP 441 HB2 ASP 441 -0.425 -14.598 -9.242 199 HB3 ASP 441 HB1 ASP 441 0.443 -16.132 -9.249 200 H HIS 442 HN HIS 442 0.042 -14.904 -13.386 201 HA HIS 442 HA HIS 442 1.032 -17.370 -14.427 202 HB2 HIS 442 HB2 HIS 442 1.364 -14.562 -15.487 203 HB3 HIS 442 HB1 HIS 442 1.765 -16.025 -16.369 204 HD1 HIS 442 HD1 HIS 442 -0.117 -14.176 -17.692 205 HD2 HIS 442 HD2 HIS 442 -1.437 -17.093 -15.035 206 HE1 HIS 442 HE1 HIS 442 -2.527 -14.593 -18.290 207 HE2 HIS 442 HE2 HIS 442 -3.283 -16.431 -16.745 208 H ASN 443 HN ASN 443 2.523 -14.860 -12.581 209 HA ASN 443 HA ASN 443 5.128 -15.070 -13.729 210 HB2 ASN 443 HB2 ASN 443 4.294 -13.925 -11.059 211 HB3 ASN 443 HB1 ASN 443 5.864 -13.702 -11.822 212 HD21 ASN 443 HD21 ASN 443 2.525 -12.800 -11.810 213 HD22 ASN 443 HD22 ASN 443 2.670 -11.492 -12.939 214 H THR 444 HN THR 444 3.890 -16.109 -10.533 215 HA THR 444 HA THR 444 6.241 -17.867 -10.342 216 HB THR 444 HB THR 444 5.869 -16.279 -8.480 217 HG1 THR 444 HG1 THR 444 5.370 -18.811 -7.356 218 HG21 THR 444 HG21 THR 444 3.427 -16.214 -8.507 219 HG22 THR 444 HG22 THR 444 4.028 -16.652 -6.908 220 HG23 THR 444 HG23 THR 444 3.369 -17.893 -7.973 221 H LYS 445 HN LYS 445 3.080 -18.013 -11.268 222 HA LYS 445 HA LYS 445 1.660 -19.705 -11.775 223 HB2 LYS 445 HB2 LYS 445 3.949 -21.539 -11.034 224 HB3 LYS 445 HB1 LYS 445 2.511 -21.993 -11.937 225 HG2 LYS 445 HG2 LYS 445 4.508 -19.948 -12.871 226 HG3 LYS 445 HG1 LYS 445 4.538 -21.652 -13.328 227 HD2 LYS 445 HD2 LYS 445 2.194 -19.820 -13.801 228 HD3 LYS 445 HD1 LYS 445 3.453 -20.134 -14.997 229 HE2 LYS 445 HE2 LYS 445 1.609 -22.178 -13.759 230 HE3 LYS 445 HE1 LYS 445 1.501 -21.534 -15.396 231 HZ1 LYS 445 HZ1 LYS 445 3.491 -23.390 -14.263 232 HZ2 LYS 445 HZ2 LYS 445 3.903 -22.423 -15.594 233 HZ3 LYS 445 HZ3 LYS 445 2.610 -23.514 -15.708 234 H THR 446 HN THR 446 0.772 -18.757 -9.659 235 HA THR 446 HA THR 446 0.358 -21.002 -7.807 236 HB THR 446 HB THR 446 1.931 -19.369 -6.782 237 HG1 THR 446 HG1 THR 446 0.078 -18.858 -5.005 238 HG21 THR 446 HG21 THR 446 1.099 -17.168 -6.096 239 HG22 THR 446 HG22 THR 446 -0.411 -17.469 -6.956 240 HG23 THR 446 HG23 THR 446 1.102 -17.331 -7.853 241 H THR 447 HN THR 447 -1.648 -20.926 -6.643 242 HA THR 447 HA THR 447 -3.718 -19.269 -7.927 243 HB THR 447 HB THR 447 -5.295 -21.160 -7.378 244 HG1 THR 447 HG1 THR 447 -3.782 -23.231 -7.314 245 HG21 THR 447 HG21 THR 447 -3.034 -21.807 -9.274 246 HG22 THR 447 HG22 THR 447 -4.463 -20.844 -9.656 247 HG23 THR 447 HG23 THR 447 -4.628 -22.561 -9.282 248 H THR 448 HN THR 448 -5.318 -18.391 -6.546 249 HA THR 448 HA THR 448 -5.076 -18.954 -3.691 250 HB THR 448 HB THR 448 -3.464 -17.158 -4.015 251 HG1 THR 448 HG1 THR 448 -4.300 -16.738 -2.087 252 HG21 THR 448 HG21 THR 448 -5.773 -15.581 -5.154 253 HG22 THR 448 HG22 THR 448 -4.381 -16.177 -6.056 254 HG23 THR 448 HG23 THR 448 -4.164 -14.946 -4.813 255 H TRP 449 HN TRP 449 -6.809 -18.230 -2.428 256 HA TRP 449 HA TRP 449 -9.287 -17.726 -3.910 257 HB2 TRP 449 HB2 TRP 449 -8.813 -18.610 -1.051 258 HB3 TRP 449 HB1 TRP 449 -10.400 -18.294 -1.737 259 HD1 TRP 449 HD1 TRP 449 -7.813 -20.972 -1.396 260 HE1 TRP 449 HE1 TRP 449 -8.579 -23.093 -2.628 261 HE3 TRP 449 HE3 TRP 449 -11.772 -19.020 -3.967 262 HZ2 TRP 449 HZ2 TRP 449 -10.598 -23.840 -4.459 263 HZ3 TRP 449 HZ3 TRP 449 -13.071 -20.503 -5.439 264 HH2 TRP 449 HH2 TRP 449 -12.495 -22.865 -5.678 265 H GLU 450 HN GLU 450 -6.903 -16.106 -2.329 266 HA GLU 450 HA GLU 450 -8.576 -14.185 -0.928 267 HB2 GLU 450 HB2 GLU 450 -6.322 -15.067 -0.093 268 HB3 GLU 450 HB1 GLU 450 -5.585 -14.059 -1.330 269 HG2 GLU 450 HG2 GLU 450 -6.371 -12.075 -0.306 270 HG3 GLU 450 HG1 GLU 450 -7.414 -12.976 0.794 271 H ASP 451 HN ASP 451 -8.659 -11.972 -1.482 272 HA ASP 451 HA ASP 451 -8.621 -11.598 -4.366 273 HB2 ASP 451 HB2 ASP 451 -10.585 -10.917 -2.921 274 HB3 ASP 451 HB1 ASP 451 -9.570 -9.633 -2.274 275 HA PRO 452 HA PRO 452 -4.649 -9.600 -4.005 276 HB2 PRO 452 HB2 PRO 452 -4.280 -9.120 -6.642 277 HB3 PRO 452 HB1 PRO 452 -4.095 -10.724 -5.925 278 HG2 PRO 452 HG2 PRO 452 -6.399 -9.583 -7.447 279 HG3 PRO 452 HG1 PRO 452 -5.686 -11.203 -7.541 280 HD2 PRO 452 HD2 PRO 452 -7.968 -10.643 -6.158 281 HD3 PRO 452 HD1 PRO 452 -6.860 -11.961 -5.727 282 H ARG 453 HN ARG 453 -7.569 -8.121 -5.195 283 HA ARG 453 HA ARG 453 -6.287 -5.534 -5.411 284 HB2 ARG 453 HB2 ARG 453 -9.153 -6.406 -5.750 285 HB3 ARG 453 HB1 ARG 453 -8.570 -4.770 -6.014 286 HG2 ARG 453 HG2 ARG 453 -7.564 -7.174 -7.519 287 HG3 ARG 453 HG1 ARG 453 -8.858 -6.119 -8.087 288 HD2 ARG 453 HD2 ARG 453 -6.866 -5.393 -9.149 289 HD3 ARG 453 HD1 ARG 453 -7.240 -4.206 -7.905 290 HE ARG 453 HE ARG 453 -5.453 -6.155 -6.893 291 HH11 ARG 453 HH11 ARG 453 -5.575 -3.379 -9.034 292 HH12 ARG 453 HH12 ARG 453 -3.891 -2.998 -8.833 293 HH21 ARG 453 HH21 ARG 453 -3.226 -5.643 -6.637 294 HH22 ARG 453 HH22 ARG 453 -2.564 -4.275 -7.490 295 H LEU 454 HN LEU 454 -8.455 -7.258 -3.224 296 HA LEU 454 HA LEU 454 -8.882 -4.940 -1.549 297 HB2 LEU 454 HB2 LEU 454 -9.454 -7.871 -1.081 298 HB3 LEU 454 HB1 LEU 454 -9.944 -6.576 -0.004 299 HG LEU 454 HG LEU 454 -10.887 -6.957 -2.847 300 HD11 LEU 454 HD11 LEU 454 -13.050 -7.442 -1.808 301 HD12 LEU 454 HD12 LEU 454 -12.304 -7.331 -0.213 302 HD13 LEU 454 HD13 LEU 454 -11.817 -8.608 -1.328 303 HD21 LEU 454 HD21 LEU 454 -11.661 -4.902 -0.780 304 HD22 LEU 454 HD22 LEU 454 -12.441 -5.128 -2.345 305 HD23 LEU 454 HD23 LEU 454 -10.761 -4.600 -2.266 306 H LYS 455 HN LYS 455 -6.711 -7.611 -1.740 307 HA LYS 455 HA LYS 455 -5.374 -6.765 0.746 308 HB2 LYS 455 HB2 LYS 455 -5.097 -9.348 -0.816 309 HB3 LYS 455 HB1 LYS 455 -4.212 -8.952 0.651 310 HG2 LYS 455 HG2 LYS 455 -7.202 -9.238 0.435 311 HG3 LYS 455 HG1 LYS 455 -6.094 -10.443 1.093 312 HD2 LYS 455 HD2 LYS 455 -6.454 -7.649 2.182 313 HD3 LYS 455 HD1 LYS 455 -7.223 -9.095 2.841 314 HE2 LYS 455 HE2 LYS 455 -4.243 -8.706 2.591 315 HE3 LYS 455 HE1 LYS 455 -5.164 -8.404 4.062 316 HZ1 LYS 455 HZ1 LYS 455 -5.822 -10.719 4.096 317 HZ2 LYS 455 HZ2 LYS 455 -4.132 -10.587 4.082 318 HZ3 LYS 455 HZ3 LYS 455 -4.959 -11.023 2.663 319 H ILE 456 HN ILE 456 -3.381 -5.835 0.611 320 HA ILE 456 HA ILE 456 -1.931 -5.931 -1.899 321 HB ILE 456 HB ILE 456 -1.732 -3.422 -1.961 322 HG12 ILE 456 HG12 ILE 456 -4.153 -3.533 -0.150 323 HG13 ILE 456 HG11 ILE 456 -2.544 -3.006 0.336 324 HG21 ILE 456 HG21 ILE 456 -3.104 -4.598 -3.573 325 HG22 ILE 456 HG22 ILE 456 -3.846 -3.059 -3.137 326 HG23 ILE 456 HG23 ILE 456 -4.475 -4.563 -2.464 327 HD11 ILE 456 HD11 ILE 456 -4.288 -1.682 -1.726 328 HD12 ILE 456 HD12 ILE 456 -2.680 -1.145 -1.230 329 HD13 ILE 456 HD13 ILE 456 -4.016 -1.122 -0.076 330 HA PRO 457 HA PRO 457 1.446 -5.619 0.955 331 HB2 PRO 457 HB2 PRO 457 3.139 -4.667 -1.221 332 HB3 PRO 457 HB1 PRO 457 3.167 -6.225 -0.390 333 HG2 PRO 457 HG2 PRO 457 2.374 -5.958 -2.969 334 HG3 PRO 457 HG1 PRO 457 1.721 -7.200 -1.884 335 HD2 PRO 457 HD2 PRO 457 0.523 -4.570 -2.692 336 HD3 PRO 457 HD1 PRO 457 -0.255 -6.162 -2.527 337 H ALA 458 HN ALA 458 1.808 -4.016 2.358 338 HA ALA 458 HA ALA 458 1.730 -1.244 1.361 339 HB1 ALA 458 HB1 ALA 458 1.204 -0.591 3.642 340 HB2 ALA 458 HB2 ALA 458 1.367 -2.264 4.179 341 HB3 ALA 458 HB3 ALA 458 0.067 -1.813 3.074 342 H1 THR 638 HN THR 638 -16.100 -28.011 0.217 343 HA THR 638 HA THR 638 -15.374 -25.617 -1.318 344 HB THR 638 HB THR 638 -14.018 -26.399 1.272 345 HG1 THR 638 HG1 THR 638 -16.303 -25.059 0.876 346 HG21 THR 638 HG21 THR 638 -13.729 -23.952 -0.481 347 HG22 THR 638 HG22 THR 638 -12.556 -25.259 -0.330 348 HG23 THR 638 HG23 THR 638 -12.903 -24.225 1.054 349 H ALA 639 HN ALA 639 -14.488 -26.575 -3.057 350 HA ALA 639 HA ALA 639 -12.675 -28.848 -2.681 351 HB1 ALA 639 HB1 ALA 639 -12.937 -29.242 -5.067 352 HB2 ALA 639 HB2 ALA 639 -13.906 -27.776 -5.219 353 HB3 ALA 639 HB3 ALA 639 -14.511 -29.140 -4.277 354 HA PRO 640 HA PRO 640 -9.071 -26.345 -3.249 355 HB2 PRO 640 HB2 PRO 640 -7.950 -28.753 -4.565 356 HB3 PRO 640 HB1 PRO 640 -7.343 -27.846 -3.177 357 HG2 PRO 640 HG2 PRO 640 -8.483 -30.236 -2.858 358 HG3 PRO 640 HG1 PRO 640 -8.741 -28.931 -1.683 359 HD2 PRO 640 HD2 PRO 640 -10.560 -29.936 -3.835 360 HD3 PRO 640 HD1 PRO 640 -10.951 -29.398 -2.188 361 HA PRO 641 HA PRO 641 -9.358 -25.012 -7.450 362 HB2 PRO 641 HB2 PRO 641 -7.134 -23.465 -7.572 363 HB3 PRO 641 HB1 PRO 641 -8.598 -22.977 -6.714 364 HG2 PRO 641 HG2 PRO 641 -6.052 -24.095 -5.634 365 HG3 PRO 641 HG1 PRO 641 -7.090 -22.821 -4.970 366 HD2 PRO 641 HD2 PRO 641 -7.086 -25.409 -4.073 367 HD3 PRO 641 HD1 PRO 641 -8.486 -24.325 -3.954 368 HA PRO 642 HA PRO 642 -6.881 -28.109 -9.528 369 HB2 PRO 642 HB2 PRO 642 -7.589 -27.334 -12.069 370 HB3 PRO 642 HB1 PRO 642 -8.568 -28.389 -11.045 371 HG2 PRO 642 HG2 PRO 642 -8.829 -25.451 -11.537 372 HG3 PRO 642 HG1 PRO 642 -10.097 -26.688 -11.428 373 HD2 PRO 642 HD2 PRO 642 -9.571 -25.038 -9.377 374 HD3 PRO 642 HD1 PRO 642 -10.030 -26.733 -9.111 375 H ALA 643 HN ALA 643 -4.995 -28.162 -10.782 376 HA ALA 643 HA ALA 643 -3.293 -25.930 -10.530 377 HB1 ALA 643 HB1 ALA 643 -2.931 -28.396 -12.230 378 HB2 ALA 643 HB2 ALA 643 -2.464 -28.231 -10.538 379 HB3 ALA 643 HB3 ALA 643 -1.665 -27.259 -11.773 380 H TYR 644 HN TYR 644 -2.506 -24.485 -12.022 381 HA TYR 644 HA TYR 644 -4.267 -23.631 -14.049 382 HB2 TYR 644 HB2 TYR 644 -2.820 -22.059 -12.933 383 HB3 TYR 644 HB1 TYR 644 -1.387 -22.927 -13.467 384 HD1 TYR 644 HD2 TYR 644 -4.333 -21.075 -14.823 385 HD2 TYR 644 HD1 TYR 644 -0.276 -22.224 -15.359 386 HE1 TYR 644 HE2 TYR 644 -4.193 -19.626 -16.805 387 HE2 TYR 644 HE1 TYR 644 -0.120 -20.778 -17.340 388 HH TYR 644 HH TYR 644 -1.561 -19.764 -18.998 389 H ALA 645 HN ALA 645 -1.543 -25.777 -14.048 390 HA ALA 645 HA ALA 645 -1.026 -25.718 -16.845 391 HB1 ALA 645 HB1 ALA 645 -0.288 -27.818 -14.819 392 HB2 ALA 645 HB2 ALA 645 0.662 -26.384 -15.207 393 HB3 ALA 645 HB3 ALA 645 0.407 -27.633 -16.427 394 H THR 646 HN THR 646 -3.562 -27.163 -15.073 395 HA THR 646 HA THR 646 -3.952 -29.141 -17.218 396 HB THR 646 HB THR 646 -3.819 -30.072 -14.910 397 HG1 THR 646 HG1 THR 646 -5.053 -31.126 -16.576 398 HG21 THR 646 HG21 THR 646 -5.706 -29.781 -13.387 399 HG22 THR 646 HG22 THR 646 -6.429 -28.610 -14.490 400 HG23 THR 646 HG23 THR 646 -4.898 -28.243 -13.691 401 H LEU 647 HN LEU 647 -5.091 -26.184 -16.041 402 HA LEU 647 HA LEU 647 -7.695 -26.583 -17.330 403 HB2 LEU 647 HB2 LEU 647 -8.395 -24.515 -16.174 404 HB3 LEU 647 HB1 LEU 647 -7.911 -25.792 -15.080 405 HG LEU 647 HG LEU 647 -5.605 -24.524 -15.100 406 HD11 LEU 647 HD11 LEU 647 -7.528 -22.323 -15.828 407 HD12 LEU 647 HD12 LEU 647 -6.186 -22.904 -16.813 408 HD13 LEU 647 HD13 LEU 647 -5.866 -22.105 -15.274 409 HD21 LEU 647 HD21 LEU 647 -6.339 -23.250 -13.149 410 HD22 LEU 647 HD22 LEU 647 -6.992 -24.890 -13.140 411 HD23 LEU 647 HD23 LEU 647 -8.023 -23.532 -13.598 412 H GLY 648 HN GLY 648 -4.664 -25.102 -17.729 413 HA2 GLY 648 HA2 GLY 648 -5.548 -23.958 -20.255 414 HA3 GLY 648 HA1 GLY 648 -4.874 -22.827 -19.089 Start of MODEL 10 1 H1 GLY 416 HT1 GLY 416 -21.275 -5.040 -9.656 2 H2 GLY 416 HT2 GLY 416 -20.900 -3.398 -9.867 3 H3 GLY 416 HT3 GLY 416 -21.443 -3.957 -8.361 4 HA2 GLY 416 HA1 GLY 416 -18.882 -4.691 -9.670 5 HA3 GLY 416 HA2 GLY 416 -19.060 -3.585 -8.316 6 H SER 417 HN SER 417 -18.897 -4.385 -6.330 7 HA SER 417 HA SER 417 -18.668 -5.835 -4.597 8 HB2 SER 417 HB2 SER 417 -20.596 -7.580 -6.144 9 HB3 SER 417 HB1 SER 417 -20.304 -7.605 -4.404 10 HG SER 417 HG SER 417 -21.815 -5.862 -5.933 11 H MET 418 HN MET 418 -16.889 -6.079 -6.934 12 HA MET 418 HA MET 418 -15.155 -7.345 -7.647 13 HB2 MET 418 HB2 MET 418 -15.746 -8.532 -5.001 14 HB3 MET 418 HB1 MET 418 -14.764 -9.500 -6.092 15 HG2 MET 418 HG2 MET 418 -13.348 -8.190 -4.660 16 HG3 MET 418 HG1 MET 418 -13.196 -7.635 -6.324 17 HE1 MET 418 HE1 MET 418 -12.124 -5.964 -3.866 18 HE2 MET 418 HE2 MET 418 -12.678 -4.343 -4.293 19 HE3 MET 418 HE3 MET 418 -12.023 -5.408 -5.538 20 H GLU 419 HN GLU 419 -17.994 -8.006 -8.434 21 HA GLU 419 HA GLU 419 -17.759 -10.825 -9.137 22 HB2 GLU 419 HB2 GLU 419 -19.940 -9.775 -8.430 23 HB3 GLU 419 HB1 GLU 419 -19.904 -8.825 -9.907 24 HG2 GLU 419 HG2 GLU 419 -21.366 -10.740 -10.144 25 HG3 GLU 419 HG1 GLU 419 -19.987 -10.870 -11.235 26 H GLN 420 HN GLN 420 -16.263 -8.266 -10.099 27 HA GLN 420 HA GLN 420 -16.388 -8.815 -12.984 28 HB2 GLN 420 HB2 GLN 420 -15.494 -6.320 -11.519 29 HB3 GLN 420 HB1 GLN 420 -15.363 -6.556 -13.255 30 HG2 GLN 420 HG2 GLN 420 -17.942 -6.548 -11.704 31 HG3 GLN 420 HG1 GLN 420 -17.293 -5.180 -12.610 32 HE21 GLN 420 HE21 GLN 420 -17.259 -5.262 -14.862 33 HE22 GLN 420 HE22 GLN 420 -18.241 -6.387 -15.750 34 H GLY 421 HN GLY 421 -14.726 -9.992 -13.676 35 HA2 GLY 421 HA2 GLY 421 -12.470 -10.586 -12.083 36 HA3 GLY 421 HA1 GLY 421 -12.677 -11.003 -13.776 37 H PHE 422 HN PHE 422 -11.684 -8.425 -11.584 38 HA PHE 422 HA PHE 422 -9.946 -7.401 -13.734 39 HB2 PHE 422 HB2 PHE 422 -11.665 -5.778 -12.901 40 HB3 PHE 422 HB1 PHE 422 -10.938 -5.891 -11.301 41 HD1 PHE 422 HD2 PHE 422 -10.108 -5.047 -14.829 42 HD2 PHE 422 HD1 PHE 422 -9.238 -4.433 -10.709 43 HE1 PHE 422 HE2 PHE 422 -8.530 -3.254 -15.433 44 HE2 PHE 422 HE1 PHE 422 -7.660 -2.641 -11.303 45 HZ PHE 422 HZ PHE 422 -7.304 -2.050 -13.667 46 H LEU 423 HN LEU 423 -7.960 -8.095 -13.463 47 HA LEU 423 HA LEU 423 -6.916 -8.340 -10.713 48 HB2 LEU 423 HB2 LEU 423 -6.608 -10.272 -13.007 49 HB3 LEU 423 HB1 LEU 423 -5.496 -10.262 -11.655 50 HG LEU 423 HG LEU 423 -7.016 -11.984 -11.186 51 HD11 LEU 423 HD11 LEU 423 -6.580 -10.557 -9.271 52 HD12 LEU 423 HD12 LEU 423 -8.205 -11.238 -9.195 53 HD13 LEU 423 HD13 LEU 423 -7.973 -9.560 -9.683 54 HD21 LEU 423 HD21 LEU 423 -8.716 -11.445 -12.842 55 HD22 LEU 423 HD22 LEU 423 -9.263 -10.090 -11.857 56 HD23 LEU 423 HD23 LEU 423 -9.449 -11.742 -11.266 57 HA PRO 424 HA PRO 424 -3.371 -6.009 -11.959 58 HB2 PRO 424 HB2 PRO 424 -1.647 -7.882 -10.476 59 HB3 PRO 424 HB1 PRO 424 -1.950 -6.167 -10.184 60 HG2 PRO 424 HG2 PRO 424 -2.919 -8.086 -8.563 61 HG3 PRO 424 HG1 PRO 424 -3.799 -6.580 -8.870 62 HD2 PRO 424 HD2 PRO 424 -4.239 -9.306 -10.012 63 HD3 PRO 424 HD1 PRO 424 -5.429 -8.088 -9.506 64 H LYS 425 HN LYS 425 -1.042 -6.399 -12.847 65 HA LYS 425 HA LYS 425 -1.427 -8.034 -15.175 66 HB2 LYS 425 HB2 LYS 425 -0.249 -5.989 -15.521 67 HB3 LYS 425 HB1 LYS 425 0.892 -6.348 -14.233 68 HG2 LYS 425 HG2 LYS 425 1.877 -6.609 -16.467 69 HG3 LYS 425 HG1 LYS 425 1.893 -8.110 -15.546 70 HD2 LYS 425 HD2 LYS 425 1.255 -8.635 -17.786 71 HD3 LYS 425 HD1 LYS 425 -0.179 -8.790 -16.770 72 HE2 LYS 425 HE2 LYS 425 -0.938 -6.587 -17.502 73 HE3 LYS 425 HE1 LYS 425 0.508 -6.410 -18.499 74 HZ1 LYS 425 HZ1 LYS 425 -1.368 -7.121 -19.832 75 HZ2 LYS 425 HZ2 LYS 425 -1.608 -8.475 -18.838 76 HZ3 LYS 425 HZ3 LYS 425 -0.205 -8.354 -19.776 77 H GLY 426 HN GLY 426 -1.268 -10.139 -15.073 78 HA2 GLY 426 HA2 GLY 426 0.486 -11.913 -15.048 79 HA3 GLY 426 HA1 GLY 426 0.917 -11.299 -13.456 80 H TRP 427 HN TRP 427 -1.845 -10.806 -12.706 81 HA TRP 427 HA TRP 427 -2.477 -13.467 -11.818 82 HB2 TRP 427 HB2 TRP 427 -3.858 -10.825 -11.300 83 HB3 TRP 427 HB1 TRP 427 -4.235 -12.345 -10.490 84 HD1 TRP 427 HD1 TRP 427 -1.385 -9.763 -10.776 85 HE1 TRP 427 HE1 TRP 427 0.110 -9.958 -8.688 86 HE3 TRP 427 HE3 TRP 427 -3.567 -13.845 -8.607 87 HZ2 TRP 427 HZ2 TRP 427 0.324 -11.618 -6.419 88 HZ3 TRP 427 HZ3 TRP 427 -2.655 -14.672 -6.476 89 HH2 TRP 427 HH2 TRP 427 -0.748 -13.583 -5.408 90 H GLU 428 HN GLU 428 -4.963 -14.042 -11.814 91 HA GLU 428 HA GLU 428 -6.304 -13.451 -14.304 92 HB2 GLU 428 HB2 GLU 428 -4.520 -15.189 -14.840 93 HB3 GLU 428 HB1 GLU 428 -5.360 -16.273 -13.743 94 HG2 GLU 428 HG2 GLU 428 -5.976 -16.778 -16.003 95 HG3 GLU 428 HG1 GLU 428 -7.369 -16.098 -15.158 96 H VAL 429 HN VAL 429 -8.485 -14.638 -14.283 97 HA VAL 429 HA VAL 429 -9.125 -15.611 -11.582 98 HB VAL 429 HB VAL 429 -10.094 -13.382 -11.929 99 HG11 VAL 429 HG11 VAL 429 -11.891 -13.040 -13.540 100 HG12 VAL 429 HG12 VAL 429 -11.619 -14.658 -14.185 101 HG13 VAL 429 HG13 VAL 429 -10.367 -13.425 -14.338 102 HG21 VAL 429 HG21 VAL 429 -11.243 -14.943 -10.474 103 HG22 VAL 429 HG22 VAL 429 -12.139 -15.593 -11.849 104 HG23 VAL 429 HG23 VAL 429 -12.405 -13.928 -11.330 105 H ARG 430 HN ARG 430 -10.334 -17.398 -11.415 106 HA ARG 430 HA ARG 430 -11.145 -18.763 -13.894 107 HB2 ARG 430 HB2 ARG 430 -9.085 -19.606 -12.475 108 HB3 ARG 430 HB1 ARG 430 -10.331 -20.270 -11.435 109 HG2 ARG 430 HG2 ARG 430 -9.567 -21.971 -12.940 110 HG3 ARG 430 HG1 ARG 430 -11.212 -21.543 -13.377 111 HD2 ARG 430 HD2 ARG 430 -10.391 -20.181 -15.218 112 HD3 ARG 430 HD1 ARG 430 -8.725 -20.549 -14.758 113 HE ARG 430 HE ARG 430 -10.247 -22.924 -15.172 114 HH11 ARG 430 HH11 ARG 430 -8.608 -20.371 -16.947 115 HH12 ARG 430 HH12 ARG 430 -8.248 -21.392 -18.306 116 HH21 ARG 430 HH21 ARG 430 -9.785 -24.239 -16.961 117 HH22 ARG 430 HH22 ARG 430 -8.924 -23.585 -18.324 118 H HIS 431 HN HIS 431 -12.340 -20.943 -12.261 119 HA HIS 431 HA HIS 431 -14.516 -19.732 -10.881 120 HB2 HIS 431 HB2 HIS 431 -14.918 -20.754 -13.691 121 HB3 HIS 431 HB1 HIS 431 -16.233 -20.735 -12.523 122 HD1 HIS 431 HD1 HIS 431 -14.752 -18.718 -15.092 123 HD2 HIS 431 HD2 HIS 431 -16.625 -17.958 -11.460 124 HE1 HIS 431 HE1 HIS 431 -15.448 -16.307 -15.183 125 HE2 HIS 431 HE2 HIS 431 -16.361 -15.813 -12.887 126 H ALA 432 HN ALA 432 -14.766 -21.143 -9.265 127 HA ALA 432 HA ALA 432 -14.045 -23.916 -9.585 128 HB1 ALA 432 HB1 ALA 432 -15.308 -22.487 -7.241 129 HB2 ALA 432 HB2 ALA 432 -13.582 -22.750 -7.479 130 HB3 ALA 432 HB3 ALA 432 -14.656 -24.125 -7.217 131 HA PRO 433 HA PRO 433 -17.874 -25.690 -10.850 132 HB2 PRO 433 HB2 PRO 433 -17.506 -27.621 -8.615 133 HB3 PRO 433 HB1 PRO 433 -17.776 -27.930 -10.333 134 HG2 PRO 433 HG2 PRO 433 -15.363 -28.249 -9.264 135 HG3 PRO 433 HG1 PRO 433 -15.557 -27.559 -10.886 136 HD2 PRO 433 HD2 PRO 433 -14.916 -26.200 -8.309 137 HD3 PRO 433 HD1 PRO 433 -14.335 -25.846 -9.947 138 H ASN 434 HN ASN 434 -17.371 -25.063 -7.441 139 HA ASN 434 HA ASN 434 -20.067 -25.330 -6.606 140 HB2 ASN 434 HB2 ASN 434 -17.857 -23.698 -5.342 141 HB3 ASN 434 HB1 ASN 434 -19.328 -24.256 -4.551 142 HD21 ASN 434 HD21 ASN 434 -19.492 -26.375 -3.901 143 HD22 ASN 434 HD22 ASN 434 -18.136 -27.461 -3.900 144 H GLY 435 HN GLY 435 -18.638 -23.005 -8.569 145 HA2 GLY 435 HA2 GLY 435 -19.808 -21.173 -9.504 146 HA3 GLY 435 HA1 GLY 435 -20.911 -21.210 -8.134 147 H ARG 436 HN ARG 436 -17.504 -21.367 -7.677 148 HA ARG 436 HA ARG 436 -17.580 -18.655 -6.525 149 HB2 ARG 436 HB2 ARG 436 -17.424 -20.653 -4.910 150 HB3 ARG 436 HB1 ARG 436 -15.787 -20.858 -5.520 151 HG2 ARG 436 HG2 ARG 436 -15.787 -19.597 -3.450 152 HG3 ARG 436 HG1 ARG 436 -15.230 -18.593 -4.792 153 HD2 ARG 436 HD2 ARG 436 -17.403 -17.539 -4.952 154 HD3 ARG 436 HD1 ARG 436 -18.046 -18.609 -3.708 155 HE ARG 436 HE ARG 436 -16.053 -17.421 -2.393 156 HH11 ARG 436 HH11 ARG 436 -18.543 -16.061 -4.458 157 HH12 ARG 436 HH12 ARG 436 -18.613 -14.563 -3.580 158 HH21 ARG 436 HH21 ARG 436 -16.160 -15.456 -1.242 159 HH22 ARG 436 HH22 ARG 436 -17.276 -14.219 -1.759 160 HA PRO 437 HA PRO 437 -14.364 -18.148 -9.610 161 HB2 PRO 437 HB2 PRO 437 -14.116 -15.466 -9.344 162 HB3 PRO 437 HB1 PRO 437 -15.447 -16.218 -10.232 163 HG2 PRO 437 HG2 PRO 437 -15.406 -15.118 -7.452 164 HG3 PRO 437 HG1 PRO 437 -16.661 -14.975 -8.695 165 HD2 PRO 437 HD2 PRO 437 -16.791 -16.749 -6.629 166 HD3 PRO 437 HD1 PRO 437 -17.554 -17.030 -8.206 167 H PHE 438 HN PHE 438 -12.439 -18.924 -8.932 168 HA PHE 438 HA PHE 438 -11.081 -17.490 -6.763 169 HB2 PHE 438 HB2 PHE 438 -9.613 -19.429 -6.534 170 HB3 PHE 438 HB1 PHE 438 -11.294 -19.910 -6.375 171 HD1 PHE 438 HD1 PHE 438 -8.291 -20.095 -8.463 172 HD2 PHE 438 HD2 PHE 438 -12.333 -21.346 -8.007 173 HE1 PHE 438 HE1 PHE 438 -7.942 -21.829 -10.168 174 HE2 PHE 438 HE2 PHE 438 -11.987 -23.085 -9.714 175 HZ PHE 438 HZ PHE 438 -9.790 -23.327 -10.794 176 H PHE 439 HN PHE 439 -8.942 -16.786 -7.075 177 HA PHE 439 HA PHE 439 -8.453 -16.023 -9.823 178 HB2 PHE 439 HB2 PHE 439 -6.957 -15.165 -7.347 179 HB3 PHE 439 HB1 PHE 439 -6.920 -14.399 -8.932 180 HD1 PHE 439 HD2 PHE 439 -9.138 -13.454 -9.816 181 HD2 PHE 439 HD1 PHE 439 -8.464 -14.463 -5.739 182 HE1 PHE 439 HE2 PHE 439 -11.009 -12.002 -9.152 183 HE2 PHE 439 HE1 PHE 439 -10.335 -13.015 -5.068 184 HZ PHE 439 HZ PHE 439 -11.607 -11.781 -6.776 185 H ILE 440 HN ILE 440 -6.335 -16.090 -10.735 186 HA ILE 440 HA ILE 440 -4.627 -18.293 -9.773 187 HB ILE 440 HB ILE 440 -5.247 -17.716 -12.686 188 HG12 ILE 440 HG12 ILE 440 -6.281 -19.953 -10.925 189 HG13 ILE 440 HG11 ILE 440 -7.236 -18.640 -11.608 190 HG21 ILE 440 HG21 ILE 440 -3.744 -19.988 -11.390 191 HG22 ILE 440 HG22 ILE 440 -3.042 -18.672 -12.334 192 HG23 ILE 440 HG23 ILE 440 -4.105 -19.846 -13.110 193 HD11 ILE 440 HD11 ILE 440 -5.803 -20.767 -13.183 194 HD12 ILE 440 HD12 ILE 440 -6.795 -19.470 -13.849 195 HD13 ILE 440 HD13 ILE 440 -7.533 -20.717 -12.845 196 H ASP 441 HN ASP 441 -2.386 -18.016 -10.306 197 HA ASP 441 HA ASP 441 -1.715 -15.286 -11.193 198 HB2 ASP 441 HB2 ASP 441 -1.089 -15.522 -8.878 199 HB3 ASP 441 HB1 ASP 441 -0.251 -17.037 -9.215 200 H HIS 442 HN HIS 442 -0.568 -15.131 -13.011 201 HA HIS 442 HA HIS 442 0.320 -17.519 -14.361 202 HB2 HIS 442 HB2 HIS 442 0.508 -14.594 -15.086 203 HB3 HIS 442 HB1 HIS 442 1.175 -15.869 -16.092 204 HD1 HIS 442 HD1 HIS 442 -0.374 -16.939 -17.729 205 HD2 HIS 442 HD2 HIS 442 -2.399 -14.690 -14.875 206 HE1 HIS 442 HE1 HIS 442 -2.771 -16.851 -18.503 207 HE2 HIS 442 HE2 HIS 442 -3.921 -15.303 -16.878 208 H ASN 443 HN ASN 443 1.764 -15.175 -12.262 209 HA ASN 443 HA ASN 443 4.408 -15.265 -13.297 210 HB2 ASN 443 HB2 ASN 443 3.471 -14.558 -10.507 211 HB3 ASN 443 HB1 ASN 443 5.085 -14.261 -11.138 212 HD21 ASN 443 HD21 ASN 443 1.795 -13.227 -11.061 213 HD22 ASN 443 HD22 ASN 443 2.025 -11.760 -11.966 214 H THR 444 HN THR 444 3.046 -16.780 -10.349 215 HA THR 444 HA THR 444 5.292 -18.660 -10.403 216 HB THR 444 HB THR 444 4.802 -17.601 -8.245 217 HG1 THR 444 HG1 THR 444 4.273 -20.398 -8.387 218 HG21 THR 444 HG21 THR 444 2.397 -17.284 -8.491 219 HG22 THR 444 HG22 THR 444 2.765 -18.159 -7.006 220 HG23 THR 444 HG23 THR 444 2.148 -19.027 -8.413 221 H LYS 445 HN LYS 445 2.208 -18.418 -11.574 222 HA LYS 445 HA LYS 445 0.907 -19.831 -12.756 223 HB2 LYS 445 HB2 LYS 445 3.341 -21.562 -12.456 224 HB3 LYS 445 HB1 LYS 445 1.914 -22.112 -13.325 225 HG2 LYS 445 HG2 LYS 445 2.141 -20.473 -14.973 226 HG3 LYS 445 HG1 LYS 445 3.248 -19.514 -13.995 227 HD2 LYS 445 HD2 LYS 445 3.917 -22.275 -14.981 228 HD3 LYS 445 HD1 LYS 445 4.258 -20.820 -15.921 229 HE2 LYS 445 HE2 LYS 445 5.276 -21.393 -13.139 230 HE3 LYS 445 HE1 LYS 445 6.205 -21.567 -14.627 231 HZ1 LYS 445 HZ1 LYS 445 5.824 -19.164 -15.024 232 HZ2 LYS 445 HZ2 LYS 445 6.748 -19.487 -13.640 233 HZ3 LYS 445 HZ3 LYS 445 5.121 -19.052 -13.487 234 H THR 446 HN THR 446 0.678 -19.746 -9.834 235 HA THR 446 HA THR 446 -0.616 -22.369 -9.446 236 HB THR 446 HB THR 446 1.243 -21.840 -7.809 237 HG1 THR 446 HG1 THR 446 -0.502 -22.074 -5.930 238 HG21 THR 446 HG21 THR 446 0.765 -20.239 -6.014 239 HG22 THR 446 HG22 THR 446 -0.721 -19.756 -6.835 240 HG23 THR 446 HG23 THR 446 0.844 -19.431 -7.582 241 H THR 447 HN THR 447 -2.399 -21.985 -7.571 242 HA THR 447 HA THR 447 -4.109 -19.815 -8.582 243 HB THR 447 HB THR 447 -5.949 -21.271 -7.455 244 HG1 THR 447 HG1 THR 447 -4.862 -23.595 -8.002 245 HG21 THR 447 HG21 THR 447 -4.558 -22.211 -9.964 246 HG22 THR 447 HG22 THR 447 -5.753 -20.919 -9.868 247 HG23 THR 447 HG23 THR 447 -6.221 -22.580 -9.504 248 H THR 448 HN THR 448 -5.441 -18.689 -7.027 249 HA THR 448 HA THR 448 -4.385 -18.810 -4.290 250 HB THR 448 HB THR 448 -3.155 -17.052 -5.417 251 HG1 THR 448 HG1 THR 448 -4.318 -16.737 -3.208 252 HG21 THR 448 HG21 THR 448 -4.721 -16.573 -7.228 253 HG22 THR 448 HG22 THR 448 -4.259 -15.098 -6.378 254 HG23 THR 448 HG23 THR 448 -5.833 -15.834 -6.075 255 H TRP 449 HN TRP 449 -5.896 -18.615 -2.725 256 HA TRP 449 HA TRP 449 -8.660 -18.217 -3.567 257 HB2 TRP 449 HB2 TRP 449 -7.351 -19.446 -1.183 258 HB3 TRP 449 HB1 TRP 449 -8.992 -18.833 -1.021 259 HD1 TRP 449 HD1 TRP 449 -7.162 -21.870 -1.974 260 HE1 TRP 449 HE1 TRP 449 -8.727 -23.553 -3.135 261 HE3 TRP 449 HE3 TRP 449 -11.137 -18.793 -2.883 262 HZ2 TRP 449 HZ2 TRP 449 -11.308 -23.572 -4.290 263 HZ3 TRP 449 HZ3 TRP 449 -13.111 -19.718 -4.016 264 HH2 TRP 449 HH2 TRP 449 -13.193 -22.055 -4.704 265 H GLU 450 HN GLU 450 -6.115 -16.512 -2.109 266 HA GLU 450 HA GLU 450 -7.903 -14.700 -0.714 267 HB2 GLU 450 HB2 GLU 450 -5.741 -13.455 -0.183 268 HB3 GLU 450 HB1 GLU 450 -5.956 -15.040 0.539 269 HG2 GLU 450 HG2 GLU 450 -4.467 -14.766 -2.026 270 HG3 GLU 450 HG1 GLU 450 -3.688 -14.361 -0.499 271 H ASP 451 HN ASP 451 -7.857 -12.433 -1.097 272 HA ASP 451 HA ASP 451 -8.193 -11.963 -3.932 273 HB2 ASP 451 HB2 ASP 451 -9.973 -11.360 -2.417 274 HB3 ASP 451 HB1 ASP 451 -8.885 -10.355 -1.472 275 HA PRO 452 HA PRO 452 -4.431 -9.470 -4.068 276 HB2 PRO 452 HB2 PRO 452 -4.018 -9.700 -6.691 277 HB3 PRO 452 HB1 PRO 452 -3.769 -11.076 -5.609 278 HG2 PRO 452 HG2 PRO 452 -5.983 -10.543 -7.513 279 HG3 PRO 452 HG1 PRO 452 -5.299 -12.089 -6.986 280 HD2 PRO 452 HD2 PRO 452 -7.655 -10.819 -6.018 281 HD3 PRO 452 HD1 PRO 452 -6.885 -12.286 -5.384 282 H ARG 453 HN ARG 453 -7.295 -8.491 -4.337 283 HA ARG 453 HA ARG 453 -6.862 -6.245 -6.182 284 HB2 ARG 453 HB2 ARG 453 -9.360 -7.588 -5.255 285 HB3 ARG 453 HB1 ARG 453 -9.418 -5.892 -5.710 286 HG2 ARG 453 HG2 ARG 453 -8.354 -8.074 -7.480 287 HG3 ARG 453 HG1 ARG 453 -9.998 -7.439 -7.554 288 HD2 ARG 453 HD2 ARG 453 -8.693 -6.336 -9.240 289 HD3 ARG 453 HD1 ARG 453 -9.043 -5.175 -7.963 290 HE ARG 453 HE ARG 453 -6.501 -6.514 -7.685 291 HH11 ARG 453 HH11 ARG 453 -8.183 -3.776 -9.051 292 HH12 ARG 453 HH12 ARG 453 -6.754 -2.796 -9.208 293 HH21 ARG 453 HH21 ARG 453 -4.605 -5.225 -7.865 294 HH22 ARG 453 HH22 ARG 453 -4.728 -3.622 -8.518 295 H LEU 454 HN LEU 454 -8.065 -7.017 -2.971 296 HA LEU 454 HA LEU 454 -7.928 -4.246 -2.115 297 HB2 LEU 454 HB2 LEU 454 -8.523 -6.776 -0.575 298 HB3 LEU 454 HB1 LEU 454 -8.688 -5.147 0.055 299 HG LEU 454 HG LEU 454 -10.268 -6.249 -2.270 300 HD11 LEU 454 HD11 LEU 454 -12.147 -6.327 -0.720 301 HD12 LEU 454 HD12 LEU 454 -11.088 -5.830 0.599 302 HD13 LEU 454 HD13 LEU 454 -10.842 -7.387 -0.191 303 HD21 LEU 454 HD21 LEU 454 -10.551 -3.697 -0.686 304 HD22 LEU 454 HD22 LEU 454 -11.643 -4.250 -1.957 305 HD23 LEU 454 HD23 LEU 454 -9.974 -3.829 -2.348 306 H LYS 455 HN LYS 455 -5.630 -6.370 -2.736 307 HA LYS 455 HA LYS 455 -3.946 -5.566 -0.455 308 HB2 LYS 455 HB2 LYS 455 -3.518 -8.003 -2.194 309 HB3 LYS 455 HB1 LYS 455 -2.639 -7.573 -0.739 310 HG2 LYS 455 HG2 LYS 455 -5.527 -8.409 -0.890 311 HG3 LYS 455 HG1 LYS 455 -4.177 -9.395 -0.333 312 HD2 LYS 455 HD2 LYS 455 -3.792 -7.725 1.475 313 HD3 LYS 455 HD1 LYS 455 -5.264 -6.896 0.959 314 HE2 LYS 455 HE2 LYS 455 -6.525 -8.989 1.333 315 HE3 LYS 455 HE1 LYS 455 -5.052 -9.745 1.935 316 HZ1 LYS 455 HZ1 LYS 455 -5.039 -7.852 3.622 317 HZ2 LYS 455 HZ2 LYS 455 -6.197 -9.074 3.820 318 HZ3 LYS 455 HZ3 LYS 455 -6.651 -7.583 3.156 319 H ILE 456 HN ILE 456 -2.128 -4.455 -0.942 320 HA ILE 456 HA ILE 456 -1.389 -4.302 -3.789 321 HB ILE 456 HB ILE 456 -2.340 -2.186 -3.267 322 HG12 ILE 456 HG12 ILE 456 0.676 -1.935 -3.118 323 HG13 ILE 456 HG11 ILE 456 -0.259 -2.134 -4.593 324 HG21 ILE 456 HG21 ILE 456 -1.588 -0.779 -1.397 325 HG22 ILE 456 HG22 ILE 456 -0.548 -2.090 -0.841 326 HG23 ILE 456 HG23 ILE 456 -2.300 -2.295 -0.844 327 HD11 ILE 456 HD11 ILE 456 -0.435 0.208 -2.706 328 HD12 ILE 456 HD12 ILE 456 -1.329 0.015 -4.214 329 HD13 ILE 456 HD13 ILE 456 0.426 0.182 -4.247 330 HA PRO 457 HA PRO 457 2.389 -6.012 -2.062 331 HB2 PRO 457 HB2 PRO 457 3.195 -5.962 -4.896 332 HB3 PRO 457 HB1 PRO 457 3.110 -7.327 -3.779 333 HG2 PRO 457 HG2 PRO 457 1.343 -7.044 -5.775 334 HG3 PRO 457 HG1 PRO 457 0.868 -7.708 -4.202 335 HD2 PRO 457 HD2 PRO 457 0.449 -4.951 -5.301 336 HD3 PRO 457 HD1 PRO 457 -0.664 -5.972 -4.363 337 H ALA 458 HN ALA 458 3.469 -4.419 -1.073 338 HA ALA 458 HA ALA 458 5.211 -2.731 -2.679 339 HB1 ALA 458 HB1 ALA 458 3.302 -1.547 -0.664 340 HB2 ALA 458 HB2 ALA 458 3.183 -1.382 -2.415 341 HB3 ALA 458 HB3 ALA 458 4.549 -0.673 -1.553 342 H1 THR 638 HN THR 638 -14.756 -29.858 -0.052 343 HA THR 638 HA THR 638 -13.991 -27.388 -0.659 344 HB THR 638 HB THR 638 -12.181 -28.198 1.624 345 HG1 THR 638 HG1 THR 638 -14.579 -27.290 1.854 346 HG21 THR 638 HG21 THR 638 -11.313 -25.918 1.413 347 HG22 THR 638 HG22 THR 638 -12.405 -25.618 0.062 348 HG23 THR 638 HG23 THR 638 -11.111 -26.805 -0.098 349 H ALA 639 HN ALA 639 -12.992 -27.795 -2.515 350 HA ALA 639 HA ALA 639 -10.977 -29.941 -2.588 351 HB1 ALA 639 HB1 ALA 639 -12.732 -28.956 -4.837 352 HB2 ALA 639 HB2 ALA 639 -12.944 -30.460 -3.943 353 HB3 ALA 639 HB3 ALA 639 -11.516 -30.229 -4.953 354 HA PRO 640 HA PRO 640 -8.099 -26.682 -3.515 355 HB2 PRO 640 HB2 PRO 640 -6.357 -28.801 -4.572 356 HB3 PRO 640 HB1 PRO 640 -6.105 -27.728 -3.193 357 HG2 PRO 640 HG2 PRO 640 -6.608 -30.353 -2.876 358 HG3 PRO 640 HG1 PRO 640 -7.192 -29.137 -1.726 359 HD2 PRO 640 HD2 PRO 640 -8.672 -30.532 -3.923 360 HD3 PRO 640 HD1 PRO 640 -9.203 -30.159 -2.268 361 HA PRO 641 HA PRO 641 -8.901 -26.241 -7.871 362 HB2 PRO 641 HB2 PRO 641 -7.781 -23.812 -8.204 363 HB3 PRO 641 HB1 PRO 641 -9.321 -24.030 -7.365 364 HG2 PRO 641 HG2 PRO 641 -6.588 -23.606 -6.232 365 HG3 PRO 641 HG1 PRO 641 -8.140 -22.930 -5.701 366 HD2 PRO 641 HD2 PRO 641 -6.904 -25.073 -4.505 367 HD3 PRO 641 HD1 PRO 641 -8.653 -24.784 -4.460 368 HA PRO 642 HA PRO 642 -5.148 -27.856 -9.624 369 HB2 PRO 642 HB2 PRO 642 -6.261 -26.883 -12.186 370 HB3 PRO 642 HB1 PRO 642 -5.800 -28.520 -11.709 371 HG2 PRO 642 HG2 PRO 642 -8.369 -27.822 -11.947 372 HG3 PRO 642 HG1 PRO 642 -7.828 -28.933 -10.675 373 HD2 PRO 642 HD2 PRO 642 -8.523 -26.030 -10.485 374 HD3 PRO 642 HD1 PRO 642 -8.879 -27.353 -9.354 375 H ALA 643 HN ALA 643 -3.224 -27.128 -10.615 376 HA ALA 643 HA ALA 643 -2.794 -24.285 -10.383 377 HB1 ALA 643 HB1 ALA 643 -0.452 -24.802 -10.830 378 HB2 ALA 643 HB2 ALA 643 -0.886 -26.461 -11.237 379 HB3 ALA 643 HB3 ALA 643 -1.100 -25.875 -9.589 380 H TYR 644 HN TYR 644 -1.581 -23.118 -12.139 381 HA TYR 644 HA TYR 644 -3.177 -23.087 -14.467 382 HB2 TYR 644 HB2 TYR 644 -2.078 -21.081 -13.536 383 HB3 TYR 644 HB1 TYR 644 -0.508 -21.745 -13.973 384 HD1 TYR 644 HD2 TYR 644 -3.778 -20.797 -15.492 385 HD2 TYR 644 HD1 TYR 644 0.426 -21.176 -16.025 386 HE1 TYR 644 HE2 TYR 644 -3.971 -19.753 -17.708 387 HE2 TYR 644 HE1 TYR 644 0.245 -20.134 -18.244 388 HH TYR 644 HH TYR 644 -1.428 -19.786 -19.985 389 H ALA 645 HN ALA 645 -0.485 -24.975 -13.642 390 HA ALA 645 HA ALA 645 0.657 -25.279 -16.231 391 HB1 ALA 645 HB1 ALA 645 1.917 -25.713 -14.181 392 HB2 ALA 645 HB2 ALA 645 1.914 -27.111 -15.255 393 HB3 ALA 645 HB3 ALA 645 0.871 -27.088 -13.833 394 H THR 646 HN THR 646 -1.886 -26.956 -14.467 395 HA THR 646 HA THR 646 -2.021 -28.984 -16.558 396 HB THR 646 HB THR 646 -2.126 -29.694 -14.176 397 HG1 THR 646 HG1 THR 646 -3.321 -30.734 -16.096 398 HG21 THR 646 HG21 THR 646 -3.401 -27.823 -13.265 399 HG22 THR 646 HG22 THR 646 -4.204 -29.355 -12.916 400 HG23 THR 646 HG23 THR 646 -4.810 -28.313 -14.204 401 H LEU 647 HN LEU 647 -3.745 -26.135 -15.486 402 HA LEU 647 HA LEU 647 -5.960 -26.814 -17.285 403 HB2 LEU 647 HB2 LEU 647 -7.168 -24.934 -16.214 404 HB3 LEU 647 HB1 LEU 647 -6.720 -26.213 -15.109 405 HG LEU 647 HG LEU 647 -4.714 -24.710 -14.493 406 HD11 LEU 647 HD11 LEU 647 -6.524 -22.639 -15.724 407 HD12 LEU 647 HD12 LEU 647 -4.936 -23.114 -16.323 408 HD13 LEU 647 HD13 LEU 647 -5.084 -22.321 -14.755 409 HD21 LEU 647 HD21 LEU 647 -6.071 -23.503 -12.854 410 HD22 LEU 647 HD22 LEU 647 -6.554 -25.194 -12.993 411 HD23 LEU 647 HD23 LEU 647 -7.527 -23.933 -13.752 412 H GLY 648 HN GLY 648 -3.108 -25.501 -17.696 413 HA2 GLY 648 HA2 GLY 648 -4.122 -23.443 -19.555 414 HA3 GLY 648 HA1 GLY 648 -2.640 -23.227 -18.635 Start of MODEL 11 1 H1 GLY 416 HT1 GLY 416 -16.164 -3.119 0.007 2 H2 GLY 416 HT2 GLY 416 -17.058 -4.563 -0.045 3 H3 GLY 416 HT3 GLY 416 -17.472 -3.270 -1.065 4 HA2 GLY 416 HA1 GLY 416 -15.415 -3.492 -2.271 5 HA3 GLY 416 HA2 GLY 416 -14.918 -4.776 -1.178 6 H SER 417 HN SER 417 -16.119 -4.198 -4.160 7 HA SER 417 HA SER 417 -17.805 -6.590 -4.237 8 HB2 SER 417 HB2 SER 417 -17.265 -4.436 -6.294 9 HB3 SER 417 HB1 SER 417 -18.313 -5.829 -6.564 10 HG SER 417 HG SER 417 -19.805 -4.978 -5.325 11 H MET 418 HN MET 418 -15.531 -7.553 -3.679 12 HA MET 418 HA MET 418 -13.764 -7.858 -5.925 13 HB2 MET 418 HB2 MET 418 -13.742 -8.835 -3.094 14 HB3 MET 418 HB1 MET 418 -12.651 -9.540 -4.278 15 HG2 MET 418 HG2 MET 418 -11.538 -7.788 -3.047 16 HG3 MET 418 HG1 MET 418 -11.718 -7.327 -4.736 17 HE1 MET 418 HE1 MET 418 -10.885 -5.203 -2.648 18 HE2 MET 418 HE2 MET 418 -11.966 -3.860 -3.025 19 HE3 MET 418 HE3 MET 418 -11.240 -4.802 -4.328 20 H GLU 419 HN GLU 419 -15.433 -8.711 -7.281 21 HA GLU 419 HA GLU 419 -15.716 -11.629 -6.978 22 HB2 GLU 419 HB2 GLU 419 -17.375 -9.729 -8.667 23 HB3 GLU 419 HB1 GLU 419 -17.638 -11.462 -8.493 24 HG2 GLU 419 HG2 GLU 419 -18.153 -11.170 -6.139 25 HG3 GLU 419 HG1 GLU 419 -17.828 -9.441 -6.267 26 H GLN 420 HN GLN 420 -15.946 -9.461 -9.783 27 HA GLN 420 HA GLN 420 -13.290 -10.147 -10.651 28 HB2 GLN 420 HB2 GLN 420 -13.864 -11.065 -12.781 29 HB3 GLN 420 HB1 GLN 420 -14.736 -11.995 -11.574 30 HG2 GLN 420 HG2 GLN 420 -16.789 -10.985 -12.133 31 HG3 GLN 420 HG1 GLN 420 -15.995 -9.719 -13.070 32 HE21 GLN 420 HE21 GLN 420 -15.135 -10.223 -15.100 33 HE22 GLN 420 HE22 GLN 420 -15.638 -11.629 -15.978 34 H GLY 421 HN GLY 421 -12.431 -8.540 -11.900 35 HA2 GLY 421 HA2 GLY 421 -14.041 -6.623 -13.287 36 HA3 GLY 421 HA1 GLY 421 -13.434 -5.984 -11.765 37 H PHE 422 HN PHE 422 -11.481 -5.088 -11.758 38 HA PHE 422 HA PHE 422 -9.801 -5.549 -14.128 39 HB2 PHE 422 HB2 PHE 422 -10.656 -3.195 -13.712 40 HB3 PHE 422 HB1 PHE 422 -9.658 -3.174 -12.262 41 HD1 PHE 422 HD2 PHE 422 -9.545 -3.516 -15.941 42 HD2 PHE 422 HD1 PHE 422 -7.372 -2.667 -12.383 43 HE1 PHE 422 HE2 PHE 422 -7.628 -2.781 -17.292 44 HE2 PHE 422 HE1 PHE 422 -5.449 -1.929 -13.728 45 HZ PHE 422 HZ PHE 422 -5.575 -1.985 -16.188 46 H LEU 423 HN LEU 423 -8.553 -7.206 -13.516 47 HA LEU 423 HA LEU 423 -7.259 -7.164 -10.892 48 HB2 LEU 423 HB2 LEU 423 -7.563 -9.274 -13.022 49 HB3 LEU 423 HB1 LEU 423 -6.424 -9.464 -11.708 50 HG LEU 423 HG LEU 423 -8.390 -10.690 -11.158 51 HD11 LEU 423 HD11 LEU 423 -7.349 -9.540 -9.304 52 HD12 LEU 423 HD12 LEU 423 -9.097 -9.624 -9.076 53 HD13 LEU 423 HD13 LEU 423 -8.346 -8.117 -9.601 54 HD21 LEU 423 HD21 LEU 423 -9.982 -9.597 -12.639 55 HD22 LEU 423 HD22 LEU 423 -9.955 -8.154 -11.625 56 HD23 LEU 423 HD23 LEU 423 -10.606 -9.663 -10.989 57 HA PRO 424 HA PRO 424 -3.315 -5.790 -12.376 58 HB2 PRO 424 HB2 PRO 424 -1.690 -7.579 -11.000 59 HB3 PRO 424 HB1 PRO 424 -2.308 -6.058 -10.350 60 HG2 PRO 424 HG2 PRO 424 -3.317 -8.839 -9.962 61 HG3 PRO 424 HG1 PRO 424 -3.251 -7.497 -8.803 62 HD2 PRO 424 HD2 PRO 424 -5.542 -8.230 -9.997 63 HD3 PRO 424 HD1 PRO 424 -5.183 -6.531 -9.626 64 H LYS 425 HN LYS 425 -1.400 -6.597 -13.608 65 HA LYS 425 HA LYS 425 -2.370 -8.543 -15.499 66 HB2 LYS 425 HB2 LYS 425 -1.172 -6.503 -16.253 67 HB3 LYS 425 HB1 LYS 425 0.292 -7.110 -15.485 68 HG2 LYS 425 HG2 LYS 425 0.479 -8.890 -17.001 69 HG3 LYS 425 HG1 LYS 425 -1.174 -8.686 -17.573 70 HD2 LYS 425 HD2 LYS 425 0.346 -7.853 -19.239 71 HD3 LYS 425 HD1 LYS 425 -0.527 -6.497 -18.529 72 HE2 LYS 425 HE2 LYS 425 1.405 -6.024 -17.093 73 HE3 LYS 425 HE1 LYS 425 2.276 -7.367 -17.834 74 HZ1 LYS 425 HZ1 LYS 425 2.927 -5.296 -18.853 75 HZ2 LYS 425 HZ2 LYS 425 1.313 -4.923 -19.218 76 HZ3 LYS 425 HZ3 LYS 425 2.069 -6.232 -19.981 77 H GLY 426 HN GLY 426 -2.111 -10.601 -15.309 78 HA2 GLY 426 HA2 GLY 426 -0.362 -12.393 -15.197 79 HA3 GLY 426 HA1 GLY 426 0.160 -11.610 -13.708 80 H TRP 427 HN TRP 427 -2.610 -10.977 -12.974 81 HA TRP 427 HA TRP 427 -3.322 -13.586 -11.864 82 HB2 TRP 427 HB2 TRP 427 -4.326 -10.816 -11.157 83 HB3 TRP 427 HB1 TRP 427 -4.746 -12.302 -10.313 84 HD1 TRP 427 HD1 TRP 427 -1.705 -10.018 -10.956 85 HE1 TRP 427 HE1 TRP 427 -0.047 -10.306 -9.010 86 HE3 TRP 427 HE3 TRP 427 -4.067 -13.798 -8.452 87 HZ2 TRP 427 HZ2 TRP 427 0.219 -11.929 -6.712 88 HZ3 TRP 427 HZ3 TRP 427 -3.043 -14.663 -6.387 89 HH2 TRP 427 HH2 TRP 427 -0.944 -13.748 -5.536 90 H GLU 428 HN GLU 428 -4.828 -14.736 -12.913 91 HA GLU 428 HA GLU 428 -6.890 -13.230 -14.382 92 HB2 GLU 428 HB2 GLU 428 -5.311 -14.645 -15.740 93 HB3 GLU 428 HB1 GLU 428 -5.972 -16.055 -14.927 94 HG2 GLU 428 HG2 GLU 428 -6.939 -15.622 -17.169 95 HG3 GLU 428 HG1 GLU 428 -8.133 -15.679 -15.869 96 H VAL 429 HN VAL 429 -9.028 -14.111 -14.396 97 HA VAL 429 HA VAL 429 -9.705 -15.323 -11.824 98 HB VAL 429 HB VAL 429 -11.488 -14.081 -13.928 99 HG11 VAL 429 HG11 VAL 429 -12.679 -15.705 -12.554 100 HG12 VAL 429 HG12 VAL 429 -13.206 -14.061 -12.196 101 HG13 VAL 429 HG13 VAL 429 -12.112 -14.896 -11.095 102 HG21 VAL 429 HG21 VAL 429 -10.475 -12.952 -11.325 103 HG22 VAL 429 HG22 VAL 429 -11.645 -12.181 -12.395 104 HG23 VAL 429 HG23 VAL 429 -9.989 -12.442 -12.941 105 H ARG 430 HN ARG 430 -10.241 -17.407 -11.647 106 HA ARG 430 HA ARG 430 -10.972 -18.835 -14.114 107 HB2 ARG 430 HB2 ARG 430 -8.868 -19.444 -12.640 108 HB3 ARG 430 HB1 ARG 430 -10.064 -20.303 -11.677 109 HG2 ARG 430 HG2 ARG 430 -8.991 -21.772 -13.315 110 HG3 ARG 430 HG1 ARG 430 -10.716 -21.624 -13.620 111 HD2 ARG 430 HD2 ARG 430 -10.143 -19.838 -15.310 112 HD3 ARG 430 HD1 ARG 430 -8.457 -20.313 -15.111 113 HE ARG 430 HE ARG 430 -9.860 -22.635 -15.652 114 HH11 ARG 430 HH11 ARG 430 -9.242 -19.596 -17.274 115 HH12 ARG 430 HH12 ARG 430 -9.353 -20.274 -18.872 116 HH21 ARG 430 HH21 ARG 430 -10.015 -23.536 -17.758 117 HH22 ARG 430 HH22 ARG 430 -9.792 -22.507 -19.140 118 H HIS 431 HN HIS 431 -11.904 -21.182 -12.444 119 HA HIS 431 HA HIS 431 -14.358 -20.213 -11.352 120 HB2 HIS 431 HB2 HIS 431 -14.241 -21.130 -14.164 121 HB3 HIS 431 HB1 HIS 431 -15.571 -21.758 -13.197 122 HD1 HIS 431 HD1 HIS 431 -14.754 -19.020 -15.332 123 HD2 HIS 431 HD2 HIS 431 -16.997 -19.469 -11.859 124 HE1 HIS 431 HE1 HIS 431 -16.287 -17.024 -15.249 125 HE2 HIS 431 HE2 HIS 431 -17.781 -17.441 -13.255 126 H ALA 432 HN ALA 432 -14.753 -21.536 -9.729 127 HA ALA 432 HA ALA 432 -13.955 -24.346 -9.918 128 HB1 ALA 432 HB1 ALA 432 -14.393 -24.414 -7.506 129 HB2 ALA 432 HB2 ALA 432 -14.962 -22.746 -7.559 130 HB3 ALA 432 HB3 ALA 432 -13.273 -23.113 -7.913 131 HA PRO 433 HA PRO 433 -17.991 -25.994 -10.657 132 HB2 PRO 433 HB2 PRO 433 -17.777 -27.565 -8.140 133 HB3 PRO 433 HB1 PRO 433 -18.110 -28.113 -9.787 134 HG2 PRO 433 HG2 PRO 433 -15.724 -28.514 -8.680 135 HG3 PRO 433 HG1 PRO 433 -15.873 -28.078 -10.393 136 HD2 PRO 433 HD2 PRO 433 -15.059 -26.387 -8.068 137 HD3 PRO 433 HD1 PRO 433 -14.451 -26.380 -9.735 138 H ASN 434 HN ASN 434 -17.331 -24.785 -7.438 139 HA ASN 434 HA ASN 434 -20.061 -24.649 -6.594 140 HB2 ASN 434 HB2 ASN 434 -17.644 -23.187 -5.513 141 HB3 ASN 434 HB1 ASN 434 -19.203 -23.332 -4.711 142 HD21 ASN 434 HD21 ASN 434 -19.781 -25.270 -3.775 143 HD22 ASN 434 HD22 ASN 434 -18.638 -26.539 -3.480 144 H GLY 435 HN GLY 435 -18.328 -22.873 -8.815 145 HA2 GLY 435 HA2 GLY 435 -19.111 -21.024 -10.033 146 HA3 GLY 435 HA1 GLY 435 -20.276 -20.697 -8.752 147 H ARG 436 HN ARG 436 -17.281 -21.380 -7.518 148 HA ARG 436 HA ARG 436 -16.835 -18.609 -6.778 149 HB2 ARG 436 HB2 ARG 436 -15.916 -21.261 -5.765 150 HB3 ARG 436 HB1 ARG 436 -14.915 -19.852 -5.435 151 HG2 ARG 436 HG2 ARG 436 -17.846 -19.906 -4.794 152 HG3 ARG 436 HG1 ARG 436 -16.621 -20.508 -3.672 153 HD2 ARG 436 HD2 ARG 436 -16.728 -17.725 -4.837 154 HD3 ARG 436 HD1 ARG 436 -17.227 -18.172 -3.205 155 HE ARG 436 HE ARG 436 -14.701 -19.058 -3.253 156 HH11 ARG 436 HH11 ARG 436 -16.098 -15.980 -4.179 157 HH12 ARG 436 HH12 ARG 436 -14.655 -15.078 -3.843 158 HH21 ARG 436 HH21 ARG 436 -12.813 -17.871 -2.802 159 HH22 ARG 436 HH22 ARG 436 -12.779 -16.150 -3.060 160 HA PRO 437 HA PRO 437 -13.630 -18.392 -9.897 161 HB2 PRO 437 HB2 PRO 437 -13.428 -15.585 -9.326 162 HB3 PRO 437 HB1 PRO 437 -14.180 -16.358 -10.721 163 HG2 PRO 437 HG2 PRO 437 -15.554 -14.965 -8.783 164 HG3 PRO 437 HG1 PRO 437 -16.270 -16.203 -9.827 165 HD2 PRO 437 HD2 PRO 437 -15.326 -16.421 -6.997 166 HD3 PRO 437 HD1 PRO 437 -16.744 -17.154 -7.778 167 H PHE 438 HN PHE 438 -11.654 -19.124 -9.263 168 HA PHE 438 HA PHE 438 -10.361 -17.746 -7.034 169 HB2 PHE 438 HB2 PHE 438 -8.735 -19.587 -6.991 170 HB3 PHE 438 HB1 PHE 438 -10.379 -20.168 -6.795 171 HD1 PHE 438 HD1 PHE 438 -7.442 -20.088 -8.965 172 HD2 PHE 438 HD2 PHE 438 -11.403 -21.566 -8.483 173 HE1 PHE 438 HE1 PHE 438 -7.046 -21.720 -10.758 174 HE2 PHE 438 HE2 PHE 438 -11.011 -23.202 -10.278 175 HZ PHE 438 HZ PHE 438 -8.832 -23.280 -11.416 176 H PHE 439 HN PHE 439 -8.056 -17.230 -7.240 177 HA PHE 439 HA PHE 439 -7.687 -15.929 -9.828 178 HB2 PHE 439 HB2 PHE 439 -6.341 -15.382 -7.177 179 HB3 PHE 439 HB1 PHE 439 -6.136 -14.439 -8.652 180 HD1 PHE 439 HD1 PHE 439 -8.125 -13.232 -9.601 181 HD2 PHE 439 HD2 PHE 439 -8.139 -14.991 -5.726 182 HE1 PHE 439 HE1 PHE 439 -10.061 -11.844 -8.984 183 HE2 PHE 439 HE2 PHE 439 -10.074 -13.605 -5.099 184 HZ PHE 439 HZ PHE 439 -11.038 -12.029 -6.728 185 H ILE 440 HN ILE 440 -6.105 -16.356 -11.155 186 HA ILE 440 HA ILE 440 -4.113 -18.376 -10.380 187 HB ILE 440 HB ILE 440 -4.892 -17.481 -13.161 188 HG12 ILE 440 HG12 ILE 440 -5.700 -19.995 -11.681 189 HG13 ILE 440 HG11 ILE 440 -6.756 -18.623 -11.992 190 HG21 ILE 440 HG21 ILE 440 -2.636 -18.363 -13.027 191 HG22 ILE 440 HG22 ILE 440 -3.687 -19.494 -13.881 192 HG23 ILE 440 HG23 ILE 440 -3.231 -19.807 -12.205 193 HD11 ILE 440 HD11 ILE 440 -5.473 -20.358 -14.091 194 HD12 ILE 440 HD12 ILE 440 -6.565 -19.005 -14.385 195 HD13 ILE 440 HD13 ILE 440 -7.150 -20.445 -13.555 196 H ASP 441 HN ASP 441 -2.102 -17.691 -10.050 197 HA ASP 441 HA ASP 441 -1.345 -15.019 -10.985 198 HB2 ASP 441 HB2 ASP 441 -0.971 -15.327 -8.639 199 HB3 ASP 441 HB1 ASP 441 -0.136 -16.853 -8.916 200 H HIS 442 HN HIS 442 -0.247 -14.858 -12.793 201 HA HIS 442 HA HIS 442 1.098 -17.118 -13.977 202 HB2 HIS 442 HB2 HIS 442 0.927 -14.226 -14.834 203 HB3 HIS 442 HB1 HIS 442 1.696 -15.493 -15.776 204 HD1 HIS 442 HD1 HIS 442 -0.394 -14.168 -17.269 205 HD2 HIS 442 HD2 HIS 442 -1.336 -17.202 -14.584 206 HE1 HIS 442 HE1 HIS 442 -2.644 -15.045 -17.992 207 HE2 HIS 442 HE2 HIS 442 -3.128 -16.978 -16.446 208 H ASN 443 HN ASN 443 1.992 -14.489 -11.945 209 HA ASN 443 HA ASN 443 4.622 -14.021 -12.757 210 HB2 ASN 443 HB2 ASN 443 3.476 -13.795 -9.966 211 HB3 ASN 443 HB1 ASN 443 4.995 -13.088 -10.504 212 HD21 ASN 443 HD21 ASN 443 1.586 -12.767 -10.372 213 HD22 ASN 443 HD22 ASN 443 1.484 -11.239 -11.196 214 H THR 444 HN THR 444 3.531 -16.079 -10.042 215 HA THR 444 HA THR 444 6.110 -17.491 -10.263 216 HB THR 444 HB THR 444 5.693 -16.522 -8.043 217 HG1 THR 444 HG1 THR 444 5.326 -19.285 -7.619 218 HG21 THR 444 HG21 THR 444 3.898 -17.389 -6.611 219 HG22 THR 444 HG22 THR 444 3.271 -18.325 -7.969 220 HG23 THR 444 HG23 THR 444 3.253 -16.561 -8.031 221 H LYS 445 HN LYS 445 3.021 -17.703 -11.268 222 HA LYS 445 HA LYS 445 1.756 -19.312 -12.211 223 HB2 LYS 445 HB2 LYS 445 4.393 -20.726 -12.093 224 HB3 LYS 445 HB1 LYS 445 2.955 -21.560 -12.672 225 HG2 LYS 445 HG2 LYS 445 2.702 -20.075 -14.488 226 HG3 LYS 445 HG1 LYS 445 3.867 -18.934 -13.811 227 HD2 LYS 445 HD2 LYS 445 4.602 -21.736 -14.616 228 HD3 LYS 445 HD1 LYS 445 4.688 -20.365 -15.726 229 HE2 LYS 445 HE2 LYS 445 6.092 -20.499 -13.064 230 HE3 LYS 445 HE1 LYS 445 6.847 -20.902 -14.606 231 HZ1 LYS 445 HZ1 LYS 445 7.361 -18.643 -13.983 232 HZ2 LYS 445 HZ2 LYS 445 5.717 -18.262 -13.848 233 HZ3 LYS 445 HZ3 LYS 445 6.374 -18.637 -15.361 234 H THR 446 HN THR 446 0.775 -19.031 -10.039 235 HA THR 446 HA THR 446 0.349 -21.684 -8.889 236 HB THR 446 HB THR 446 2.018 -20.378 -7.471 237 HG1 THR 446 HG1 THR 446 1.124 -21.914 -6.284 238 HG21 THR 446 HG21 THR 446 -0.437 -18.723 -6.874 239 HG22 THR 446 HG22 THR 446 1.026 -18.161 -7.682 240 HG23 THR 446 HG23 THR 446 1.085 -18.649 -5.988 241 H THR 447 HN THR 447 -1.660 -21.607 -7.428 242 HA THR 447 HA THR 447 -3.575 -19.612 -8.447 243 HB THR 447 HB THR 447 -5.310 -21.497 -8.096 244 HG1 THR 447 HG1 THR 447 -4.059 -23.579 -8.708 245 HG21 THR 447 HG21 THR 447 -3.311 -21.661 -10.351 246 HG22 THR 447 HG22 THR 447 -4.722 -20.607 -10.286 247 HG23 THR 447 HG23 THR 447 -4.930 -22.357 -10.368 248 H THR 448 HN THR 448 -4.964 -18.679 -6.946 249 HA THR 448 HA THR 448 -4.883 -19.750 -4.218 250 HB THR 448 HB THR 448 -3.014 -18.113 -4.413 251 HG1 THR 448 HG1 THR 448 -3.547 -18.089 -2.365 252 HG21 THR 448 HG21 THR 448 -3.536 -15.725 -4.548 253 HG22 THR 448 HG22 THR 448 -5.237 -16.108 -4.818 254 HG23 THR 448 HG23 THR 448 -4.028 -16.570 -6.016 255 H TRP 449 HN TRP 449 -6.395 -18.631 -2.755 256 HA TRP 449 HA TRP 449 -8.834 -17.888 -4.205 257 HB2 TRP 449 HB2 TRP 449 -8.386 -19.013 -1.446 258 HB3 TRP 449 HB1 TRP 449 -9.936 -18.355 -1.955 259 HD1 TRP 449 HD1 TRP 449 -7.926 -21.490 -2.017 260 HE1 TRP 449 HE1 TRP 449 -9.141 -23.288 -3.408 261 HE3 TRP 449 HE3 TRP 449 -11.475 -18.547 -4.225 262 HZ2 TRP 449 HZ2 TRP 449 -11.311 -23.430 -5.208 263 HZ3 TRP 449 HZ3 TRP 449 -13.080 -19.591 -5.771 264 HH2 TRP 449 HH2 TRP 449 -12.998 -21.981 -6.250 265 H GLU 450 HN GLU 450 -6.329 -16.464 -2.491 266 HA GLU 450 HA GLU 450 -7.955 -14.483 -1.156 267 HB2 GLU 450 HB2 GLU 450 -5.875 -13.508 -0.384 268 HB3 GLU 450 HB1 GLU 450 -5.868 -15.240 -0.109 269 HG2 GLU 450 HG2 GLU 450 -4.481 -15.518 -2.130 270 HG3 GLU 450 HG1 GLU 450 -4.428 -13.764 -2.297 271 H ASP 451 HN ASP 451 -8.009 -12.296 -1.632 272 HA ASP 451 HA ASP 451 -7.884 -11.778 -4.493 273 HB2 ASP 451 HB2 ASP 451 -9.959 -11.194 -3.574 274 HB3 ASP 451 HB1 ASP 451 -9.224 -10.435 -2.166 275 HA PRO 452 HA PRO 452 -4.196 -9.285 -3.843 276 HB2 PRO 452 HB2 PRO 452 -3.484 -9.093 -6.409 277 HB3 PRO 452 HB1 PRO 452 -3.338 -10.625 -5.538 278 HG2 PRO 452 HG2 PRO 452 -5.437 -9.745 -7.481 279 HG3 PRO 452 HG1 PRO 452 -4.656 -11.327 -7.315 280 HD2 PRO 452 HD2 PRO 452 -7.146 -10.673 -6.293 281 HD3 PRO 452 HD1 PRO 452 -6.130 -12.008 -5.718 282 H ARG 453 HN ARG 453 -6.900 -8.152 -4.002 283 HA ARG 453 HA ARG 453 -6.373 -5.731 -5.578 284 HB2 ARG 453 HB2 ARG 453 -9.014 -7.015 -4.963 285 HB3 ARG 453 HB1 ARG 453 -8.902 -5.312 -5.388 286 HG2 ARG 453 HG2 ARG 453 -7.967 -7.619 -7.085 287 HG3 ARG 453 HG1 ARG 453 -9.436 -6.677 -7.330 288 HD2 ARG 453 HD2 ARG 453 -7.772 -5.871 -8.857 289 HD3 ARG 453 HD1 ARG 453 -8.006 -4.646 -7.612 290 HE ARG 453 HE ARG 453 -5.846 -6.476 -7.068 291 HH11 ARG 453 HH11 ARG 453 -6.727 -3.475 -8.661 292 HH12 ARG 453 HH12 ARG 453 -5.112 -2.824 -8.583 293 HH21 ARG 453 HH21 ARG 453 -3.741 -5.623 -6.973 294 HH22 ARG 453 HH22 ARG 453 -3.409 -4.055 -7.646 295 H LEU 454 HN LEU 454 -7.988 -6.826 -2.629 296 HA LEU 454 HA LEU 454 -7.645 -4.165 -1.476 297 HB2 LEU 454 HB2 LEU 454 -9.016 -5.081 0.401 298 HB3 LEU 454 HB1 LEU 454 -9.814 -5.040 -1.155 299 HG LEU 454 HG LEU 454 -9.068 -7.543 -1.299 300 HD11 LEU 454 HD11 LEU 454 -9.039 -8.656 0.882 301 HD12 LEU 454 HD12 LEU 454 -9.047 -7.081 1.676 302 HD13 LEU 454 HD13 LEU 454 -7.671 -7.561 0.685 303 HD21 LEU 454 HD21 LEU 454 -11.368 -6.781 -1.253 304 HD22 LEU 454 HD22 LEU 454 -11.291 -6.591 0.498 305 HD23 LEU 454 HD23 LEU 454 -11.170 -8.198 -0.220 306 H LYS 455 HN LYS 455 -6.220 -7.302 -1.266 307 HA LYS 455 HA LYS 455 -4.638 -6.341 1.029 308 HB2 LYS 455 HB2 LYS 455 -4.344 -8.565 1.825 309 HB3 LYS 455 HB1 LYS 455 -6.060 -8.376 1.503 310 HG2 LYS 455 HG2 LYS 455 -5.894 -9.645 -0.510 311 HG3 LYS 455 HG1 LYS 455 -4.133 -9.665 -0.412 312 HD2 LYS 455 HD2 LYS 455 -6.032 -10.972 1.540 313 HD3 LYS 455 HD1 LYS 455 -5.103 -11.803 0.292 314 HE2 LYS 455 HE2 LYS 455 -3.027 -10.904 1.378 315 HE3 LYS 455 HE1 LYS 455 -4.042 -10.334 2.702 316 HZ1 LYS 455 HZ1 LYS 455 -3.630 -13.147 1.837 317 HZ2 LYS 455 HZ2 LYS 455 -4.791 -12.676 2.982 318 HZ3 LYS 455 HZ3 LYS 455 -3.142 -12.442 3.305 319 H ILE 456 HN ILE 456 -2.426 -6.851 1.060 320 HA ILE 456 HA ILE 456 -1.214 -6.755 -1.546 321 HB ILE 456 HB ILE 456 0.138 -6.957 1.153 322 HG12 ILE 456 HG12 ILE 456 -0.544 -4.495 -0.468 323 HG13 ILE 456 HG11 ILE 456 -1.402 -5.015 0.979 324 HG21 ILE 456 HG21 ILE 456 1.605 -7.514 -0.703 325 HG22 ILE 456 HG22 ILE 456 2.053 -5.953 -0.015 326 HG23 ILE 456 HG23 ILE 456 1.153 -6.023 -1.530 327 HD11 ILE 456 HD11 ILE 456 1.483 -4.187 0.830 328 HD12 ILE 456 HD12 ILE 456 0.637 -4.714 2.285 329 HD13 ILE 456 HD13 ILE 456 0.150 -3.228 1.469 330 HA PRO 457 HA PRO 457 -0.959 -11.208 -1.823 331 HB2 PRO 457 HB2 PRO 457 0.501 -11.268 -4.130 332 HB3 PRO 457 HB1 PRO 457 -1.246 -10.995 -4.085 333 HG2 PRO 457 HG2 PRO 457 0.976 -9.015 -4.342 334 HG3 PRO 457 HG1 PRO 457 -0.581 -9.068 -5.189 335 HD2 PRO 457 HD2 PRO 457 -0.117 -7.414 -3.101 336 HD3 PRO 457 HD1 PRO 457 -1.715 -8.119 -3.417 337 H ALA 458 HN ALA 458 0.879 -12.774 -2.431 338 HA ALA 458 HA ALA 458 3.572 -12.135 -1.878 339 HB1 ALA 458 HB1 ALA 458 3.822 -13.052 0.376 340 HB2 ALA 458 HB2 ALA 458 2.076 -13.283 0.480 341 HB3 ALA 458 HB3 ALA 458 2.745 -11.654 0.375 342 H1 THR 638 HN THR 638 -15.414 -23.054 -3.836 343 HA THR 638 HA THR 638 -14.398 -23.237 -1.267 344 HB THR 638 HB THR 638 -16.434 -25.134 -2.454 345 HG1 THR 638 HG1 THR 638 -16.779 -22.452 -1.497 346 HG21 THR 638 HG21 THR 638 -17.425 -25.045 -0.204 347 HG22 THR 638 HG22 THR 638 -16.134 -23.967 0.325 348 HG23 THR 638 HG23 THR 638 -15.761 -25.626 -0.143 349 H ALA 639 HN ALA 639 -13.802 -25.186 -4.011 350 HA ALA 639 HA ALA 639 -12.497 -27.249 -2.368 351 HB1 ALA 639 HB1 ALA 639 -13.414 -27.400 -5.245 352 HB2 ALA 639 HB2 ALA 639 -14.240 -28.108 -3.857 353 HB3 ALA 639 HB3 ALA 639 -12.650 -28.704 -4.334 354 HA PRO 640 HA PRO 640 -8.443 -25.993 -3.605 355 HB2 PRO 640 HB2 PRO 640 -7.398 -28.449 -4.414 356 HB3 PRO 640 HB1 PRO 640 -7.390 -27.819 -2.763 357 HG2 PRO 640 HG2 PRO 640 -9.253 -29.763 -4.045 358 HG3 PRO 640 HG1 PRO 640 -8.621 -29.736 -2.391 359 HD2 PRO 640 HD2 PRO 640 -11.123 -28.966 -2.939 360 HD3 PRO 640 HD1 PRO 640 -10.157 -28.137 -1.698 361 HA PRO 641 HA PRO 641 -8.923 -25.548 -8.005 362 HB2 PRO 641 HB2 PRO 641 -6.931 -23.793 -8.404 363 HB3 PRO 641 HB1 PRO 641 -8.416 -23.337 -7.569 364 HG2 PRO 641 HG2 PRO 641 -5.736 -24.011 -6.433 365 HG3 PRO 641 HG1 PRO 641 -6.878 -22.747 -5.943 366 HD2 PRO 641 HD2 PRO 641 -6.604 -25.169 -4.667 367 HD3 PRO 641 HD1 PRO 641 -8.067 -24.171 -4.616 368 HA PRO 642 HA PRO 642 -6.086 -28.466 -9.757 369 HB2 PRO 642 HB2 PRO 642 -6.521 -27.100 -12.332 370 HB3 PRO 642 HB1 PRO 642 -6.908 -28.758 -11.862 371 HG2 PRO 642 HG2 PRO 642 -8.820 -26.908 -12.221 372 HG3 PRO 642 HG1 PRO 642 -8.957 -28.168 -10.980 373 HD2 PRO 642 HD2 PRO 642 -8.191 -25.290 -10.684 374 HD3 PRO 642 HD1 PRO 642 -9.227 -26.293 -9.647 375 H ALA 643 HN ALA 643 -4.091 -28.593 -10.971 376 HA ALA 643 HA ALA 643 -2.240 -26.578 -10.266 377 HB1 ALA 643 HB1 ALA 643 -1.906 -28.877 -12.194 378 HB2 ALA 643 HB2 ALA 643 -1.623 -28.939 -10.455 379 HB3 ALA 643 HB3 ALA 643 -0.605 -27.927 -11.478 380 H TYR 644 HN TYR 644 -0.997 -25.230 -11.589 381 HA TYR 644 HA TYR 644 -2.404 -23.694 -13.431 382 HB2 TYR 644 HB2 TYR 644 -0.474 -22.880 -12.152 383 HB3 TYR 644 HB1 TYR 644 0.590 -23.943 -13.062 384 HD1 TYR 644 HD2 TYR 644 -1.529 -20.925 -13.264 385 HD2 TYR 644 HD1 TYR 644 1.388 -23.319 -15.232 386 HE1 TYR 644 HE2 TYR 644 -1.173 -19.135 -14.912 387 HE2 TYR 644 HE1 TYR 644 1.751 -21.532 -16.880 388 HH TYR 644 HH TYR 644 0.580 -19.618 -17.801 389 H ALA 645 HN ALA 645 -0.206 -26.396 -13.936 390 HA ALA 645 HA ALA 645 -0.031 -26.022 -16.770 391 HB1 ALA 645 HB1 ALA 645 0.714 -28.420 -15.109 392 HB2 ALA 645 HB2 ALA 645 1.772 -27.061 -15.489 393 HB3 ALA 645 HB3 ALA 645 1.192 -28.116 -16.778 394 H THR 646 HN THR 646 -2.475 -27.359 -14.809 395 HA THR 646 HA THR 646 -3.377 -28.995 -17.084 396 HB THR 646 HB THR 646 -2.733 -30.251 -14.977 397 HG1 THR 646 HG1 THR 646 -3.936 -31.469 -16.276 398 HG21 THR 646 HG21 THR 646 -5.330 -29.073 -13.983 399 HG22 THR 646 HG22 THR 646 -3.726 -28.735 -13.333 400 HG23 THR 646 HG23 THR 646 -4.410 -30.355 -13.194 401 H LEU 647 HN LEU 647 -4.155 -26.306 -15.118 402 HA LEU 647 HA LEU 647 -7.009 -26.535 -15.453 403 HB2 LEU 647 HB2 LEU 647 -7.070 -24.220 -14.540 404 HB3 LEU 647 HB1 LEU 647 -6.276 -25.385 -13.505 405 HG LEU 647 HG LEU 647 -4.073 -24.480 -14.488 406 HD11 LEU 647 HD11 LEU 647 -5.027 -23.228 -16.348 407 HD12 LEU 647 HD12 LEU 647 -4.144 -22.167 -15.252 408 HD13 LEU 647 HD13 LEU 647 -5.906 -22.201 -15.216 409 HD21 LEU 647 HD21 LEU 647 -4.031 -22.672 -12.853 410 HD22 LEU 647 HD22 LEU 647 -4.810 -24.117 -12.203 411 HD23 LEU 647 HD23 LEU 647 -5.790 -22.745 -12.725 412 H GLY 648 HN GLY 648 -4.457 -25.539 -17.403 413 HA2 GLY 648 HA2 GLY 648 -6.057 -24.981 -19.628 414 HA3 GLY 648 HA1 GLY 648 -5.618 -23.447 -18.886 Start of MODEL 12 1 H1 GLY 416 HT1 GLY 416 -19.306 -11.108 -4.370 2 H2 GLY 416 HT2 GLY 416 -18.858 -9.557 -4.882 3 H3 GLY 416 HT3 GLY 416 -20.267 -9.773 -3.961 4 HA2 GLY 416 HA1 GLY 416 -19.000 -10.445 -2.049 5 HA3 GLY 416 HA2 GLY 416 -17.517 -10.318 -2.986 6 H SER 417 HN SER 417 -16.974 -8.834 -1.138 7 HA SER 417 HA SER 417 -18.248 -6.269 -1.061 8 HB2 SER 417 HB2 SER 417 -16.214 -5.677 0.354 9 HB3 SER 417 HB1 SER 417 -17.195 -7.013 0.959 10 HG SER 417 HG SER 417 -14.873 -7.396 0.947 11 H MET 418 HN MET 418 -15.454 -7.700 -2.571 12 HA MET 418 HA MET 418 -15.191 -5.348 -4.308 13 HB2 MET 418 HB2 MET 418 -13.388 -5.158 -2.715 14 HB3 MET 418 HB1 MET 418 -12.972 -6.853 -2.912 15 HG2 MET 418 HG2 MET 418 -11.355 -5.541 -4.061 16 HG3 MET 418 HG1 MET 418 -12.341 -6.377 -5.258 17 HE1 MET 418 HE1 MET 418 -10.430 -3.964 -6.009 18 HE2 MET 418 HE2 MET 418 -11.478 -3.045 -7.090 19 HE3 MET 418 HE3 MET 418 -11.456 -4.806 -7.171 20 H GLU 419 HN GLU 419 -15.721 -6.082 -6.291 21 HA GLU 419 HA GLU 419 -15.477 -8.808 -7.047 22 HB2 GLU 419 HB2 GLU 419 -15.879 -6.371 -8.794 23 HB3 GLU 419 HB1 GLU 419 -16.205 -8.039 -9.245 24 HG2 GLU 419 HG2 GLU 419 -17.630 -6.486 -7.093 25 HG3 GLU 419 HG1 GLU 419 -18.248 -6.824 -8.708 26 H GLN 420 HN GLN 420 -14.248 -9.351 -9.174 27 HA GLN 420 HA GLN 420 -11.533 -9.144 -8.544 28 HB2 GLN 420 HB2 GLN 420 -11.079 -10.178 -10.745 29 HB3 GLN 420 HB1 GLN 420 -12.270 -11.042 -9.794 30 HG2 GLN 420 HG2 GLN 420 -13.198 -9.081 -11.832 31 HG3 GLN 420 HG1 GLN 420 -12.585 -10.647 -12.359 32 HE21 GLN 420 HE21 GLN 420 -15.146 -8.957 -10.781 33 HE22 GLN 420 HE22 GLN 420 -16.233 -10.300 -10.653 34 H GLY 421 HN GLY 421 -13.403 -7.379 -11.056 35 HA2 GLY 421 HA2 GLY 421 -12.953 -5.381 -12.052 36 HA3 GLY 421 HA1 GLY 421 -11.829 -5.070 -10.738 37 H PHE 422 HN PHE 422 -9.900 -4.592 -11.461 38 HA PHE 422 HA PHE 422 -8.903 -5.955 -13.867 39 HB2 PHE 422 HB2 PHE 422 -9.050 -3.525 -14.136 40 HB3 PHE 422 HB1 PHE 422 -8.105 -3.286 -12.671 41 HD1 PHE 422 HD2 PHE 422 -7.942 -4.664 -16.114 42 HD2 PHE 422 HD1 PHE 422 -5.769 -3.219 -12.752 43 HE1 PHE 422 HE2 PHE 422 -5.873 -4.677 -17.445 44 HE2 PHE 422 HE1 PHE 422 -3.698 -3.229 -14.080 45 HZ PHE 422 HZ PHE 422 -3.751 -3.960 -16.428 46 H LEU 423 HN LEU 423 -7.539 -7.550 -13.390 47 HA LEU 423 HA LEU 423 -6.242 -7.649 -10.814 48 HB2 LEU 423 HB2 LEU 423 -6.259 -9.502 -13.191 49 HB3 LEU 423 HB1 LEU 423 -5.269 -9.799 -11.778 50 HG LEU 423 HG LEU 423 -7.182 -11.147 -11.516 51 HD11 LEU 423 HD11 LEU 423 -8.296 -10.226 -9.543 52 HD12 LEU 423 HD12 LEU 423 -7.589 -8.648 -9.886 53 HD13 LEU 423 HD13 LEU 423 -6.548 -10.013 -9.482 54 HD21 LEU 423 HD21 LEU 423 -8.605 -10.125 -13.197 55 HD22 LEU 423 HD22 LEU 423 -8.862 -8.724 -12.157 56 HD23 LEU 423 HD23 LEU 423 -9.477 -10.307 -11.676 57 HA PRO 424 HA PRO 424 -2.321 -5.911 -11.880 58 HB2 PRO 424 HB2 PRO 424 -0.998 -8.195 -10.553 59 HB3 PRO 424 HB1 PRO 424 -0.920 -6.476 -10.163 60 HG2 PRO 424 HG2 PRO 424 -2.273 -8.233 -8.634 61 HG3 PRO 424 HG1 PRO 424 -2.805 -6.555 -8.835 62 HD2 PRO 424 HD2 PRO 424 -3.875 -9.050 -10.064 63 HD3 PRO 424 HD1 PRO 424 -4.732 -7.586 -9.543 64 H LYS 425 HN LYS 425 -0.392 -6.315 -13.174 65 HA LYS 425 HA LYS 425 -0.880 -7.749 -15.481 66 HB2 LYS 425 HB2 LYS 425 0.769 -6.007 -15.449 67 HB3 LYS 425 HB1 LYS 425 1.740 -6.876 -14.271 68 HG2 LYS 425 HG2 LYS 425 2.925 -7.610 -16.000 69 HG3 LYS 425 HG1 LYS 425 1.554 -8.660 -16.357 70 HD2 LYS 425 HD2 LYS 425 1.974 -5.885 -17.467 71 HD3 LYS 425 HD1 LYS 425 2.295 -7.392 -18.326 72 HE2 LYS 425 HE2 LYS 425 -0.094 -7.990 -18.069 73 HE3 LYS 425 HE1 LYS 425 -0.376 -6.413 -17.331 74 HZ1 LYS 425 HZ1 LYS 425 0.529 -6.959 -20.105 75 HZ2 LYS 425 HZ2 LYS 425 0.493 -5.412 -19.414 76 HZ3 LYS 425 HZ3 LYS 425 -0.948 -6.277 -19.623 77 H GLY 426 HN GLY 426 -1.429 -9.848 -15.324 78 HA2 GLY 426 HA2 GLY 426 -0.201 -11.917 -15.988 79 HA3 GLY 426 HA1 GLY 426 0.763 -11.666 -14.540 80 H TRP 427 HN TRP 427 -2.213 -10.715 -13.640 81 HA TRP 427 HA TRP 427 -2.769 -13.325 -12.444 82 HB2 TRP 427 HB2 TRP 427 -3.824 -10.555 -11.836 83 HB3 TRP 427 HB1 TRP 427 -4.388 -12.014 -11.031 84 HD1 TRP 427 HD1 TRP 427 -1.014 -10.157 -11.559 85 HE1 TRP 427 HE1 TRP 427 0.391 -10.440 -9.421 86 HE3 TRP 427 HE3 TRP 427 -4.183 -13.176 -8.912 87 HZ2 TRP 427 HZ2 TRP 427 0.181 -11.769 -6.945 88 HZ3 TRP 427 HZ3 TRP 427 -3.500 -13.908 -6.661 89 HH2 TRP 427 HH2 TRP 427 -1.361 -13.219 -5.702 90 H GLU 428 HN GLU 428 -4.925 -14.214 -12.498 91 HA GLU 428 HA GLU 428 -6.726 -13.181 -14.552 92 HB2 GLU 428 HB2 GLU 428 -5.159 -14.690 -15.701 93 HB3 GLU 428 HB1 GLU 428 -5.491 -15.950 -14.527 94 HG2 GLU 428 HG2 GLU 428 -7.811 -16.045 -15.328 95 HG3 GLU 428 HG1 GLU 428 -7.425 -14.817 -16.534 96 H VAL 429 HN VAL 429 -8.924 -14.256 -14.328 97 HA VAL 429 HA VAL 429 -9.169 -15.576 -11.710 98 HB VAL 429 HB VAL 429 -10.116 -13.322 -11.567 99 HG11 VAL 429 HG11 VAL 429 -10.681 -12.958 -13.896 100 HG12 VAL 429 HG12 VAL 429 -12.093 -12.697 -12.870 101 HG13 VAL 429 HG13 VAL 429 -11.943 -14.187 -13.800 102 HG21 VAL 429 HG21 VAL 429 -12.211 -15.486 -11.581 103 HG22 VAL 429 HG22 VAL 429 -12.364 -13.921 -10.785 104 HG23 VAL 429 HG23 VAL 429 -11.139 -15.072 -10.242 105 H ARG 430 HN ARG 430 -10.222 -17.453 -11.658 106 HA ARG 430 HA ARG 430 -11.334 -18.379 -14.213 107 HB2 ARG 430 HB2 ARG 430 -9.137 -19.414 -13.116 108 HB3 ARG 430 HB1 ARG 430 -10.339 -20.390 -12.274 109 HG2 ARG 430 HG2 ARG 430 -11.329 -20.977 -14.470 110 HG3 ARG 430 HG1 ARG 430 -10.011 -20.111 -15.256 111 HD2 ARG 430 HD2 ARG 430 -8.407 -21.638 -14.172 112 HD3 ARG 430 HD1 ARG 430 -9.759 -22.520 -13.459 113 HE ARG 430 HE ARG 430 -9.216 -22.332 -16.359 114 HH11 ARG 430 HH11 ARG 430 -10.535 -24.045 -13.598 115 HH12 ARG 430 HH12 ARG 430 -10.984 -25.449 -14.515 116 HH21 ARG 430 HH21 ARG 430 -9.823 -24.145 -17.574 117 HH22 ARG 430 HH22 ARG 430 -10.609 -25.492 -16.792 118 H HIS 431 HN HIS 431 -12.064 -20.908 -12.763 119 HA HIS 431 HA HIS 431 -14.443 -20.164 -11.368 120 HB2 HIS 431 HB2 HIS 431 -14.579 -20.891 -14.272 121 HB3 HIS 431 HB1 HIS 431 -15.855 -21.453 -13.198 122 HD1 HIS 431 HD1 HIS 431 -15.253 -18.813 -15.437 123 HD2 HIS 431 HD2 HIS 431 -16.794 -19.009 -11.579 124 HE1 HIS 431 HE1 HIS 431 -16.574 -16.695 -15.124 125 HE2 HIS 431 HE2 HIS 431 -17.668 -16.942 -12.863 126 H ALA 432 HN ALA 432 -14.404 -21.657 -9.840 127 HA ALA 432 HA ALA 432 -13.323 -24.299 -10.356 128 HB1 ALA 432 HB1 ALA 432 -14.484 -23.115 -7.833 129 HB2 ALA 432 HB2 ALA 432 -12.776 -23.142 -8.268 130 HB3 ALA 432 HB3 ALA 432 -13.630 -24.652 -7.956 131 HA PRO 433 HA PRO 433 -17.070 -26.469 -11.188 132 HB2 PRO 433 HB2 PRO 433 -16.286 -28.430 -9.106 133 HB3 PRO 433 HB1 PRO 433 -16.647 -28.688 -10.817 134 HG2 PRO 433 HG2 PRO 433 -14.140 -28.786 -9.925 135 HG3 PRO 433 HG1 PRO 433 -14.519 -28.054 -11.495 136 HD2 PRO 433 HD2 PRO 433 -13.889 -26.739 -8.886 137 HD3 PRO 433 HD1 PRO 433 -13.404 -26.277 -10.531 138 H ASN 434 HN ASN 434 -16.271 -25.652 -7.900 139 HA ASN 434 HA ASN 434 -18.857 -26.286 -6.807 140 HB2 ASN 434 HB2 ASN 434 -16.603 -24.615 -5.655 141 HB3 ASN 434 HB1 ASN 434 -18.026 -25.160 -4.773 142 HD21 ASN 434 HD21 ASN 434 -18.174 -27.272 -4.110 143 HD22 ASN 434 HD22 ASN 434 -16.843 -28.376 -4.194 144 H GLY 435 HN GLY 435 -17.745 -23.843 -8.769 145 HA2 GLY 435 HA2 GLY 435 -19.032 -22.061 -9.587 146 HA3 GLY 435 HA1 GLY 435 -20.081 -22.193 -8.183 147 H ARG 436 HN ARG 436 -16.662 -22.156 -7.730 148 HA ARG 436 HA ARG 436 -16.884 -19.459 -6.579 149 HB2 ARG 436 HB2 ARG 436 -15.020 -21.738 -5.885 150 HB3 ARG 436 HB1 ARG 436 -14.914 -20.127 -5.193 151 HG2 ARG 436 HG2 ARG 436 -17.290 -21.956 -4.952 152 HG3 ARG 436 HG1 ARG 436 -16.049 -21.731 -3.718 153 HD2 ARG 436 HD2 ARG 436 -17.851 -19.577 -4.820 154 HD3 ARG 436 HD1 ARG 436 -18.053 -20.387 -3.269 155 HE ARG 436 HE ARG 436 -15.607 -18.846 -3.858 156 HH11 ARG 436 HH11 ARG 436 -18.443 -19.464 -1.900 157 HH12 ARG 436 HH12 ARG 436 -17.987 -18.342 -0.648 158 HH21 ARG 436 HH21 ARG 436 -14.995 -17.362 -2.224 159 HH22 ARG 436 HH22 ARG 436 -16.019 -17.143 -0.834 160 HA PRO 437 HA PRO 437 -13.782 -18.335 -9.571 161 HB2 PRO 437 HB2 PRO 437 -13.591 -15.720 -8.839 162 HB3 PRO 437 HB1 PRO 437 -14.905 -16.358 -9.825 163 HG2 PRO 437 HG2 PRO 437 -14.941 -15.446 -7.045 164 HG3 PRO 437 HG1 PRO 437 -16.289 -15.693 -8.163 165 HD2 PRO 437 HD2 PRO 437 -15.390 -17.410 -6.039 166 HD3 PRO 437 HD1 PRO 437 -16.771 -17.638 -7.125 167 H PHE 438 HN PHE 438 -11.667 -18.766 -9.376 168 HA PHE 438 HA PHE 438 -10.269 -17.686 -7.031 169 HB2 PHE 438 HB2 PHE 438 -8.733 -19.606 -7.095 170 HB3 PHE 438 HB1 PHE 438 -10.390 -20.113 -6.810 171 HD1 PHE 438 HD2 PHE 438 -11.610 -21.364 -8.522 172 HD2 PHE 438 HD1 PHE 438 -7.553 -20.207 -9.096 173 HE1 PHE 438 HE2 PHE 438 -11.413 -22.973 -10.373 174 HE2 PHE 438 HE1 PHE 438 -7.355 -21.815 -10.945 175 HZ PHE 438 HZ PHE 438 -9.285 -23.199 -11.586 176 H PHE 439 HN PHE 439 -8.232 -16.839 -7.363 177 HA PHE 439 HA PHE 439 -7.830 -15.870 -10.072 178 HB2 PHE 439 HB2 PHE 439 -6.441 -15.089 -7.499 179 HB3 PHE 439 HB1 PHE 439 -6.305 -14.258 -9.046 180 HD1 PHE 439 HD2 PHE 439 -8.334 -13.154 -10.014 181 HD2 PHE 439 HD1 PHE 439 -8.222 -14.624 -6.022 182 HE1 PHE 439 HE2 PHE 439 -10.280 -11.762 -9.449 183 HE2 PHE 439 HE1 PHE 439 -10.172 -13.232 -5.455 184 HZ PHE 439 HZ PHE 439 -11.198 -11.799 -7.169 185 H ILE 440 HN ILE 440 -6.029 -16.155 -11.264 186 HA ILE 440 HA ILE 440 -4.083 -18.167 -10.322 187 HB ILE 440 HB ILE 440 -4.931 -17.690 -13.185 188 HG12 ILE 440 HG12 ILE 440 -5.765 -19.986 -11.402 189 HG13 ILE 440 HG11 ILE 440 -6.786 -18.592 -11.746 190 HG21 ILE 440 HG21 ILE 440 -3.792 -19.824 -13.596 191 HG22 ILE 440 HG22 ILE 440 -3.325 -19.893 -11.897 192 HG23 ILE 440 HG23 ILE 440 -2.699 -18.609 -12.932 193 HD11 ILE 440 HD11 ILE 440 -7.374 -20.485 -13.150 194 HD12 ILE 440 HD12 ILE 440 -5.724 -20.545 -13.775 195 HD13 ILE 440 HD13 ILE 440 -6.747 -19.150 -14.120 196 H ASP 441 HN ASP 441 -2.102 -17.274 -10.067 197 HA ASP 441 HA ASP 441 -1.485 -14.846 -11.569 198 HB2 ASP 441 HB2 ASP 441 -1.024 -14.616 -9.230 199 HB3 ASP 441 HB1 ASP 441 -0.102 -16.121 -9.205 200 H HIS 442 HN HIS 442 -0.351 -14.913 -13.311 201 HA HIS 442 HA HIS 442 0.963 -17.354 -14.138 202 HB2 HIS 442 HB2 HIS 442 0.518 -14.705 -15.510 203 HB3 HIS 442 HB1 HIS 442 1.418 -16.027 -16.245 204 HD1 HIS 442 HD1 HIS 442 0.070 -17.543 -17.655 205 HD2 HIS 442 HD2 HIS 442 -2.274 -15.593 -14.819 206 HE1 HIS 442 HE1 HIS 442 -2.301 -18.243 -18.127 207 HE2 HIS 442 HE2 HIS 442 -3.719 -16.957 -16.488 208 H ASN 443 HN ASN 443 1.911 -14.726 -12.297 209 HA ASN 443 HA ASN 443 4.578 -14.475 -13.411 210 HB2 ASN 443 HB2 ASN 443 3.381 -13.286 -10.905 211 HB3 ASN 443 HB1 ASN 443 4.986 -12.922 -11.523 212 HD21 ASN 443 HD21 ASN 443 1.593 -12.402 -11.858 213 HD22 ASN 443 HD22 ASN 443 1.697 -11.149 -13.064 214 H THR 444 HN THR 444 3.298 -15.442 -10.206 215 HA THR 444 HA THR 444 5.848 -16.787 -9.700 216 HB THR 444 HB THR 444 4.749 -15.224 -7.993 217 HG1 THR 444 HG1 THR 444 5.088 -17.316 -6.407 218 HG21 THR 444 HG21 THR 444 3.010 -17.657 -7.554 219 HG22 THR 444 HG22 THR 444 2.463 -16.086 -8.138 220 HG23 THR 444 HG23 THR 444 3.091 -16.246 -6.499 221 H LYS 445 HN LYS 445 3.001 -17.508 -11.094 222 HA LYS 445 HA LYS 445 2.045 -19.424 -11.825 223 HB2 LYS 445 HB2 LYS 445 4.443 -20.861 -10.668 224 HB3 LYS 445 HB1 LYS 445 3.371 -21.434 -11.938 225 HG2 LYS 445 HG2 LYS 445 5.109 -18.994 -12.198 226 HG3 LYS 445 HG1 LYS 445 5.590 -20.608 -12.718 227 HD2 LYS 445 HD2 LYS 445 3.104 -19.226 -13.702 228 HD3 LYS 445 HD1 LYS 445 4.665 -19.102 -14.514 229 HE2 LYS 445 HE2 LYS 445 4.697 -21.599 -14.642 230 HE3 LYS 445 HE1 LYS 445 3.044 -21.597 -14.033 231 HZ1 LYS 445 HZ1 LYS 445 3.876 -20.141 -16.481 232 HZ2 LYS 445 HZ2 LYS 445 2.295 -20.466 -15.956 233 HZ3 LYS 445 HZ3 LYS 445 3.284 -21.730 -16.499 234 H THR 446 HN THR 446 0.596 -18.783 -9.883 235 HA THR 446 HA THR 446 0.140 -21.225 -8.385 236 HB THR 446 HB THR 446 1.706 -19.782 -6.985 237 HG1 THR 446 HG1 THR 446 0.813 -20.820 -5.379 238 HG21 THR 446 HG21 THR 446 -0.797 -18.110 -6.699 239 HG22 THR 446 HG22 THR 446 0.703 -17.600 -7.474 240 HG23 THR 446 HG23 THR 446 0.674 -17.933 -5.743 241 H THR 447 HN THR 447 -1.906 -21.058 -7.083 242 HA THR 447 HA THR 447 -3.838 -19.226 -8.343 243 HB THR 447 HB THR 447 -5.539 -21.047 -7.816 244 HG1 THR 447 HG1 THR 447 -4.071 -23.179 -7.920 245 HG21 THR 447 HG21 THR 447 -4.755 -20.645 -10.100 246 HG22 THR 447 HG22 THR 447 -4.994 -22.370 -9.821 247 HG23 THR 447 HG23 THR 447 -3.366 -21.694 -9.820 248 H THR 448 HN THR 448 -5.400 -18.292 -6.944 249 HA THR 448 HA THR 448 -5.099 -18.914 -4.106 250 HB THR 448 HB THR 448 -3.532 -17.055 -4.606 251 HG1 THR 448 HG1 THR 448 -3.982 -16.510 -2.630 252 HG21 THR 448 HG21 THR 448 -6.054 -15.517 -5.237 253 HG22 THR 448 HG22 THR 448 -4.795 -15.955 -6.392 254 HG23 THR 448 HG23 THR 448 -4.438 -14.829 -5.082 255 H TRP 449 HN TRP 449 -6.765 -18.091 -2.766 256 HA TRP 449 HA TRP 449 -9.322 -17.806 -4.178 257 HB2 TRP 449 HB2 TRP 449 -8.743 -18.758 -1.365 258 HB3 TRP 449 HB1 TRP 449 -10.347 -18.620 -2.071 259 HD1 TRP 449 HD1 TRP 449 -7.257 -20.846 -2.061 260 HE1 TRP 449 HE1 TRP 449 -7.800 -23.045 -3.277 261 HE3 TRP 449 HE3 TRP 449 -11.835 -19.598 -3.972 262 HZ2 TRP 449 HZ2 TRP 449 -9.894 -24.105 -4.846 263 HZ3 TRP 449 HZ3 TRP 449 -13.040 -21.264 -5.323 264 HH2 TRP 449 HH2 TRP 449 -12.091 -23.470 -5.751 265 H GLU 450 HN GLU 450 -7.067 -15.986 -2.616 266 HA GLU 450 HA GLU 450 -9.010 -14.255 -1.268 267 HB2 GLU 450 HB2 GLU 450 -7.034 -13.178 -0.206 268 HB3 GLU 450 HB1 GLU 450 -7.227 -14.875 0.199 269 HG2 GLU 450 HG2 GLU 450 -5.504 -15.406 -1.518 270 HG3 GLU 450 HG1 GLU 450 -5.249 -13.674 -1.721 271 H ASP 451 HN ASP 451 -8.557 -11.870 -1.413 272 HA ASP 451 HA ASP 451 -8.506 -11.271 -4.273 273 HB2 ASP 451 HB2 ASP 451 -10.406 -10.508 -2.830 274 HB3 ASP 451 HB1 ASP 451 -9.277 -9.452 -1.986 275 HA PRO 452 HA PRO 452 -4.451 -9.529 -3.704 276 HB2 PRO 452 HB2 PRO 452 -3.860 -9.166 -6.282 277 HB3 PRO 452 HB1 PRO 452 -3.967 -10.784 -5.578 278 HG2 PRO 452 HG2 PRO 452 -5.934 -9.322 -7.283 279 HG3 PRO 452 HG1 PRO 452 -5.506 -11.042 -7.286 280 HD2 PRO 452 HD2 PRO 452 -7.740 -9.937 -6.044 281 HD3 PRO 452 HD1 PRO 452 -7.049 -11.531 -5.687 282 H ARG 453 HN ARG 453 -7.208 -7.851 -4.887 283 HA ARG 453 HA ARG 453 -5.697 -5.385 -5.261 284 HB2 ARG 453 HB2 ARG 453 -8.614 -6.001 -5.725 285 HB3 ARG 453 HB1 ARG 453 -7.867 -4.436 -6.015 286 HG2 ARG 453 HG2 ARG 453 -7.077 -7.006 -7.378 287 HG3 ARG 453 HG1 ARG 453 -8.132 -5.774 -8.067 288 HD2 ARG 453 HD2 ARG 453 -5.860 -5.555 -8.925 289 HD3 ARG 453 HD1 ARG 453 -6.304 -4.148 -7.964 290 HE ARG 453 HE ARG 453 -4.983 -6.003 -6.317 291 HH11 ARG 453 HH11 ARG 453 -4.255 -3.874 -9.017 292 HH12 ARG 453 HH12 ARG 453 -2.623 -3.576 -8.482 293 HH21 ARG 453 HH21 ARG 453 -2.847 -5.609 -5.640 294 HH22 ARG 453 HH22 ARG 453 -1.829 -4.566 -6.585 295 H LEU 454 HN LEU 454 -7.736 -6.923 -2.927 296 HA LEU 454 HA LEU 454 -8.289 -4.529 -1.429 297 HB2 LEU 454 HB2 LEU 454 -8.519 -7.462 -0.768 298 HB3 LEU 454 HB1 LEU 454 -8.913 -6.199 0.383 299 HG LEU 454 HG LEU 454 -10.270 -6.568 -2.292 300 HD11 LEU 454 HD11 LEU 454 -12.172 -7.355 -0.968 301 HD12 LEU 454 HD12 LEU 454 -11.199 -7.244 0.497 302 HD13 LEU 454 HD13 LEU 454 -10.769 -8.401 -0.762 303 HD21 LEU 454 HD21 LEU 454 -10.903 -4.761 0.045 304 HD22 LEU 454 HD22 LEU 454 -11.876 -4.940 -1.415 305 HD23 LEU 454 HD23 LEU 454 -10.257 -4.248 -1.514 306 H LYS 455 HN LYS 455 -5.619 -6.521 -1.817 307 HA LYS 455 HA LYS 455 -4.381 -5.459 0.639 308 HB2 LYS 455 HB2 LYS 455 -3.631 -8.094 -0.629 309 HB3 LYS 455 HB1 LYS 455 -3.117 -7.473 0.929 310 HG2 LYS 455 HG2 LYS 455 -5.868 -8.429 0.171 311 HG3 LYS 455 HG1 LYS 455 -4.730 -9.210 1.264 312 HD2 LYS 455 HD2 LYS 455 -5.977 -6.499 1.728 313 HD3 LYS 455 HD1 LYS 455 -6.570 -8.007 2.423 314 HE2 LYS 455 HE2 LYS 455 -4.423 -8.311 3.565 315 HE3 LYS 455 HE1 LYS 455 -3.844 -6.796 2.873 316 HZ1 LYS 455 HZ1 LYS 455 -4.675 -6.589 5.176 317 HZ2 LYS 455 HZ2 LYS 455 -6.225 -7.019 4.635 318 HZ3 LYS 455 HZ3 LYS 455 -5.499 -5.593 4.078 319 H ILE 456 HN ILE 456 -2.144 -4.875 0.473 320 HA ILE 456 HA ILE 456 -0.944 -4.962 -2.163 321 HB ILE 456 HB ILE 456 -2.149 -2.900 -2.355 322 HG12 ILE 456 HG12 ILE 456 0.742 -2.286 -1.704 323 HG13 ILE 456 HG11 ILE 456 0.160 -2.943 -3.229 324 HG21 ILE 456 HG21 ILE 456 -0.912 -2.081 0.268 325 HG22 ILE 456 HG22 ILE 456 -2.612 -2.444 -0.029 326 HG23 ILE 456 HG23 ILE 456 -1.868 -1.033 -0.780 327 HD11 ILE 456 HD11 ILE 456 -1.111 -0.909 -3.632 328 HD12 ILE 456 HD12 ILE 456 0.598 -0.552 -3.376 329 HD13 ILE 456 HD13 ILE 456 -0.569 -0.254 -2.087 330 HA PRO 457 HA PRO 457 2.309 -5.717 0.847 331 HB2 PRO 457 HB2 PRO 457 3.790 -6.858 -1.368 332 HB3 PRO 457 HB1 PRO 457 3.098 -7.675 0.035 333 HG2 PRO 457 HG2 PRO 457 2.158 -8.006 -2.505 334 HG3 PRO 457 HG1 PRO 457 1.146 -8.177 -1.059 335 HD2 PRO 457 HD2 PRO 457 1.394 -5.855 -2.938 336 HD3 PRO 457 HD1 PRO 457 -0.063 -6.547 -2.188 337 H ALA 458 HN ALA 458 4.686 -5.325 0.829 338 HA ALA 458 HA ALA 458 5.458 -3.110 -0.958 339 HB1 ALA 458 HB1 ALA 458 6.470 -1.919 0.912 340 HB2 ALA 458 HB2 ALA 458 5.930 -3.179 2.023 341 HB3 ALA 458 HB3 ALA 458 4.746 -2.169 1.192 342 H1 THR 638 HN THR 638 -12.978 -26.172 1.985 343 HA THR 638 HA THR 638 -10.714 -26.874 2.397 344 HB THR 638 HB THR 638 -12.443 -28.112 3.697 345 HG1 THR 638 HG1 THR 638 -10.541 -28.768 4.424 346 HG21 THR 638 HG21 THR 638 -13.589 -29.235 1.853 347 HG22 THR 638 HG22 THR 638 -13.023 -30.408 3.045 348 HG23 THR 638 HG23 THR 638 -12.146 -30.197 1.530 349 H ALA 639 HN ALA 639 -12.179 -27.861 -0.449 350 HA ALA 639 HA ALA 639 -10.021 -29.652 -1.259 351 HB1 ALA 639 HB1 ALA 639 -12.525 -28.844 -2.737 352 HB2 ALA 639 HB2 ALA 639 -12.333 -30.301 -1.761 353 HB3 ALA 639 HB3 ALA 639 -11.381 -30.092 -3.231 354 HA PRO 640 HA PRO 640 -7.949 -26.212 -3.182 355 HB2 PRO 640 HB2 PRO 640 -6.188 -28.228 -4.364 356 HB3 PRO 640 HB1 PRO 640 -5.817 -26.985 -3.168 357 HG2 PRO 640 HG2 PRO 640 -5.878 -29.611 -2.545 358 HG3 PRO 640 HG1 PRO 640 -6.341 -28.348 -1.390 359 HD2 PRO 640 HD2 PRO 640 -8.091 -30.114 -3.067 360 HD3 PRO 640 HD1 PRO 640 -8.270 -29.642 -1.361 361 HA PRO 641 HA PRO 641 -9.389 -26.218 -7.364 362 HB2 PRO 641 HB2 PRO 641 -7.594 -24.519 -8.521 363 HB3 PRO 641 HB1 PRO 641 -8.904 -23.976 -7.469 364 HG2 PRO 641 HG2 PRO 641 -6.011 -24.356 -6.845 365 HG3 PRO 641 HG1 PRO 641 -7.123 -23.095 -6.294 366 HD2 PRO 641 HD2 PRO 641 -6.389 -25.233 -4.769 367 HD3 PRO 641 HD1 PRO 641 -7.936 -24.384 -4.590 368 HA PRO 642 HA PRO 642 -7.221 -29.200 -9.775 369 HB2 PRO 642 HB2 PRO 642 -7.588 -27.494 -12.172 370 HB3 PRO 642 HB1 PRO 642 -8.126 -29.150 -11.878 371 HG2 PRO 642 HG2 PRO 642 -9.859 -27.123 -11.870 372 HG3 PRO 642 HG1 PRO 642 -10.019 -28.472 -10.728 373 HD2 PRO 642 HD2 PRO 642 -8.960 -25.711 -10.268 374 HD3 PRO 642 HD1 PRO 642 -9.975 -26.719 -9.215 375 H ALA 643 HN ALA 643 -5.412 -29.526 -11.319 376 HA ALA 643 HA ALA 643 -3.123 -28.093 -10.523 377 HB1 ALA 643 HB1 ALA 643 -3.482 -29.939 -12.880 378 HB2 ALA 643 HB2 ALA 643 -3.052 -30.424 -11.240 379 HB3 ALA 643 HB3 ALA 643 -1.940 -29.434 -12.185 380 H TYR 644 HN TYR 644 -1.829 -26.630 -11.602 381 HA TYR 644 HA TYR 644 -3.074 -24.597 -13.020 382 HB2 TYR 644 HB2 TYR 644 -1.007 -24.237 -11.806 383 HB3 TYR 644 HB1 TYR 644 -0.145 -25.335 -12.876 384 HD1 TYR 644 HD2 TYR 644 -1.600 -21.983 -12.532 385 HD2 TYR 644 HD1 TYR 644 0.531 -24.627 -15.095 386 HE1 TYR 644 HE2 TYR 644 -1.002 -20.090 -13.985 387 HE2 TYR 644 HE1 TYR 644 1.135 -22.746 -16.550 388 HH TYR 644 HH TYR 644 0.185 -20.457 -17.086 389 H ALA 645 HN ALA 645 -1.283 -27.385 -14.207 390 HA ALA 645 HA ALA 645 -1.049 -26.557 -16.886 391 HB1 ALA 645 HB1 ALA 645 0.328 -28.318 -15.900 392 HB2 ALA 645 HB2 ALA 645 -0.475 -28.861 -17.374 393 HB3 ALA 645 HB3 ALA 645 -1.090 -29.364 -15.798 394 H THR 646 HN THR 646 -3.729 -27.975 -15.164 395 HA THR 646 HA THR 646 -5.026 -28.638 -17.705 396 HB THR 646 HB THR 646 -4.965 -30.345 -15.837 397 HG1 THR 646 HG1 THR 646 -7.328 -29.469 -17.108 398 HG21 THR 646 HG21 THR 646 -7.018 -28.504 -14.610 399 HG22 THR 646 HG22 THR 646 -5.414 -28.843 -13.958 400 HG23 THR 646 HG23 THR 646 -6.622 -30.127 -14.048 401 H LEU 647 HN LEU 647 -4.812 -26.031 -15.686 402 HA LEU 647 HA LEU 647 -7.525 -25.168 -16.427 403 HB2 LEU 647 HB2 LEU 647 -7.413 -23.571 -14.523 404 HB3 LEU 647 HB1 LEU 647 -7.434 -25.256 -14.055 405 HG LEU 647 HG LEU 647 -4.902 -25.061 -13.785 406 HD11 LEU 647 HD11 LEU 647 -5.561 -22.118 -13.825 407 HD12 LEU 647 HD12 LEU 647 -4.568 -22.973 -15.004 408 HD13 LEU 647 HD13 LEU 647 -4.026 -22.831 -13.332 409 HD21 LEU 647 HD21 LEU 647 -6.713 -23.465 -11.985 410 HD22 LEU 647 HD22 LEU 647 -5.127 -24.102 -11.552 411 HD23 LEU 647 HD23 LEU 647 -6.451 -25.207 -11.919 412 H GLY 648 HN GLY 648 -4.282 -24.728 -17.028 413 HA2 GLY 648 HA2 GLY 648 -4.813 -22.423 -18.681 414 HA3 GLY 648 HA1 GLY 648 -3.741 -22.096 -17.327 Start of MODEL 13 1 H1 GLY 416 HT1 GLY 416 -15.275 -10.472 3.770 2 H2 GLY 416 HT2 GLY 416 -13.802 -10.953 4.464 3 H3 GLY 416 HT3 GLY 416 -14.491 -11.871 3.215 4 HA2 GLY 416 HA1 GLY 416 -13.472 -9.096 2.966 5 HA3 GLY 416 HA2 GLY 416 -12.642 -10.542 2.405 6 H SER 417 HN SER 417 -14.216 -8.014 1.292 7 HA SER 417 HA SER 417 -15.158 -9.459 -1.073 8 HB2 SER 417 HB2 SER 417 -17.172 -8.999 0.270 9 HB3 SER 417 HB1 SER 417 -16.736 -7.293 0.351 10 HG SER 417 HG SER 417 -17.677 -7.036 -1.499 11 H MET 418 HN MET 418 -15.007 -8.205 -3.011 12 HA MET 418 HA MET 418 -13.737 -5.584 -2.708 13 HB2 MET 418 HB2 MET 418 -11.982 -7.357 -3.000 14 HB3 MET 418 HB1 MET 418 -12.672 -7.699 -4.582 15 HG2 MET 418 HG2 MET 418 -10.691 -6.231 -4.662 16 HG3 MET 418 HG1 MET 418 -12.136 -5.495 -5.357 17 HE1 MET 418 HE1 MET 418 -9.509 -3.855 -4.527 18 HE2 MET 418 HE2 MET 418 -10.242 -2.442 -3.767 19 HE3 MET 418 HE3 MET 418 -10.942 -3.114 -5.240 20 H GLU 419 HN GLU 419 -14.285 -4.105 -4.249 21 HA GLU 419 HA GLU 419 -16.511 -4.809 -5.983 22 HB2 GLU 419 HB2 GLU 419 -15.202 -2.137 -5.426 23 HB3 GLU 419 HB1 GLU 419 -16.722 -2.385 -6.272 24 HG2 GLU 419 HG2 GLU 419 -17.848 -2.991 -4.331 25 HG3 GLU 419 HG1 GLU 419 -16.351 -3.334 -3.460 26 H GLN 420 HN GLN 420 -13.873 -5.815 -6.708 27 HA GLN 420 HA GLN 420 -13.472 -4.357 -9.228 28 HB2 GLN 420 HB2 GLN 420 -11.375 -5.255 -7.270 29 HB3 GLN 420 HB1 GLN 420 -10.998 -4.988 -8.964 30 HG2 GLN 420 HG2 GLN 420 -12.158 -2.922 -7.104 31 HG3 GLN 420 HG1 GLN 420 -10.453 -3.064 -7.535 32 HE21 GLN 420 HE21 GLN 420 -9.799 -2.542 -9.619 33 HE22 GLN 420 HE22 GLN 420 -10.781 -1.592 -10.680 34 H GLY 421 HN GLY 421 -13.874 -5.654 -10.868 35 HA2 GLY 421 HA2 GLY 421 -13.325 -8.528 -10.615 36 HA3 GLY 421 HA1 GLY 421 -14.304 -7.769 -11.868 37 H PHE 422 HN PHE 422 -11.415 -6.195 -11.025 38 HA PHE 422 HA PHE 422 -10.126 -7.139 -13.494 39 HB2 PHE 422 HB2 PHE 422 -9.924 -4.405 -12.201 40 HB3 PHE 422 HB1 PHE 422 -9.104 -4.910 -13.673 41 HD1 PHE 422 HD1 PHE 422 -10.464 -5.444 -15.701 42 HD2 PHE 422 HD2 PHE 422 -12.146 -3.611 -12.246 43 HE1 PHE 422 HE1 PHE 422 -12.390 -4.700 -17.036 44 HE2 PHE 422 HE2 PHE 422 -14.076 -2.866 -13.578 45 HZ PHE 422 HZ PHE 422 -14.200 -3.411 -15.975 46 H LEU 423 HN LEU 423 -8.281 -8.099 -13.227 47 HA LEU 423 HA LEU 423 -6.988 -7.959 -10.592 48 HB2 LEU 423 HB2 LEU 423 -6.833 -10.066 -12.741 49 HB3 LEU 423 HB1 LEU 423 -5.848 -10.079 -11.292 50 HG LEU 423 HG LEU 423 -7.573 -11.563 -10.813 51 HD11 LEU 423 HD11 LEU 423 -7.233 -9.991 -9.005 52 HD12 LEU 423 HD12 LEU 423 -8.921 -10.493 -9.080 53 HD13 LEU 423 HD13 LEU 423 -8.448 -8.909 -9.689 54 HD21 LEU 423 HD21 LEU 423 -9.532 -9.572 -11.952 55 HD22 LEU 423 HD22 LEU 423 -9.946 -11.125 -11.223 56 HD23 LEU 423 HD23 LEU 423 -9.006 -11.073 -12.713 57 HA PRO 424 HA PRO 424 -3.361 -5.926 -12.066 58 HB2 PRO 424 HB2 PRO 424 -1.788 -7.975 -10.597 59 HB3 PRO 424 HB1 PRO 424 -1.773 -6.216 -10.432 60 HG2 PRO 424 HG2 PRO 424 -2.922 -7.742 -8.577 61 HG3 PRO 424 HG1 PRO 424 -3.651 -6.197 -9.064 62 HD2 PRO 424 HD2 PRO 424 -4.421 -8.987 -9.839 63 HD3 PRO 424 HD1 PRO 424 -5.459 -7.602 -9.435 64 H LYS 425 HN LYS 425 -1.303 -6.358 -13.290 65 HA LYS 425 HA LYS 425 -1.907 -8.238 -15.372 66 HB2 LYS 425 HB2 LYS 425 0.499 -6.472 -14.899 67 HB3 LYS 425 HB1 LYS 425 0.305 -7.497 -16.316 68 HG2 LYS 425 HG2 LYS 425 -1.500 -5.225 -15.501 69 HG3 LYS 425 HG1 LYS 425 -0.331 -5.213 -16.822 70 HD2 LYS 425 HD2 LYS 425 -1.582 -7.018 -17.925 71 HD3 LYS 425 HD1 LYS 425 -2.757 -6.999 -16.609 72 HE2 LYS 425 HE2 LYS 425 -2.158 -4.720 -18.497 73 HE3 LYS 425 HE1 LYS 425 -3.580 -5.761 -18.544 74 HZ1 LYS 425 HZ1 LYS 425 -2.841 -3.898 -16.347 75 HZ2 LYS 425 HZ2 LYS 425 -4.177 -4.941 -16.329 76 HZ3 LYS 425 HZ3 LYS 425 -4.099 -3.687 -17.463 77 H GLY 426 HN GLY 426 -1.714 -10.317 -14.995 78 HA2 GLY 426 HA2 GLY 426 0.177 -12.001 -15.069 79 HA3 GLY 426 HA1 GLY 426 0.664 -11.271 -13.540 80 H TRP 427 HN TRP 427 -2.256 -10.815 -12.972 81 HA TRP 427 HA TRP 427 -2.816 -13.497 -11.918 82 HB2 TRP 427 HB2 TRP 427 -4.053 -10.842 -11.155 83 HB3 TRP 427 HB1 TRP 427 -4.306 -12.380 -10.339 84 HD1 TRP 427 HD1 TRP 427 -1.536 -9.752 -10.916 85 HE1 TRP 427 HE1 TRP 427 0.142 -9.896 -8.967 86 HE3 TRP 427 HE3 TRP 427 -3.458 -13.833 -8.497 87 HZ2 TRP 427 HZ2 TRP 427 0.590 -11.533 -6.706 88 HZ3 TRP 427 HZ3 TRP 427 -2.344 -14.623 -6.448 89 HH2 TRP 427 HH2 TRP 427 -0.362 -13.494 -5.573 90 H GLU 428 HN GLU 428 -4.458 -14.674 -12.756 91 HA GLU 428 HA GLU 428 -6.447 -13.294 -14.444 92 HB2 GLU 428 HB2 GLU 428 -4.765 -15.350 -15.124 93 HB3 GLU 428 HB1 GLU 428 -6.185 -16.234 -14.590 94 HG2 GLU 428 HG2 GLU 428 -6.441 -15.987 -16.892 95 HG3 GLU 428 HG1 GLU 428 -7.508 -14.775 -16.185 96 H VAL 429 HN VAL 429 -8.678 -14.408 -14.326 97 HA VAL 429 HA VAL 429 -9.055 -15.622 -11.678 98 HB VAL 429 HB VAL 429 -9.911 -13.322 -11.651 99 HG11 VAL 429 HG11 VAL 429 -10.435 -13.075 -14.007 100 HG12 VAL 429 HG12 VAL 429 -11.834 -12.686 -13.005 101 HG13 VAL 429 HG13 VAL 429 -11.754 -14.235 -13.846 102 HG21 VAL 429 HG21 VAL 429 -12.085 -15.414 -11.589 103 HG22 VAL 429 HG22 VAL 429 -12.183 -13.810 -10.862 104 HG23 VAL 429 HG23 VAL 429 -11.010 -14.980 -10.260 105 H ARG 430 HN ARG 430 -10.332 -17.361 -11.540 106 HA ARG 430 HA ARG 430 -11.583 -18.320 -14.009 107 HB2 ARG 430 HB2 ARG 430 -9.345 -19.455 -13.229 108 HB3 ARG 430 HB1 ARG 430 -10.400 -20.292 -12.091 109 HG2 ARG 430 HG2 ARG 430 -11.709 -21.210 -13.874 110 HG3 ARG 430 HG1 ARG 430 -10.865 -20.223 -15.063 111 HD2 ARG 430 HD2 ARG 430 -8.845 -21.462 -14.747 112 HD3 ARG 430 HD1 ARG 430 -9.528 -22.328 -13.371 113 HE ARG 430 HE ARG 430 -11.195 -23.205 -15.077 114 HH11 ARG 430 HH11 ARG 430 -7.918 -22.326 -15.960 115 HH12 ARG 430 HH12 ARG 430 -7.827 -23.481 -17.253 116 HH21 ARG 430 HH21 ARG 430 -11.089 -24.694 -16.758 117 HH22 ARG 430 HH22 ARG 430 -9.650 -24.835 -17.723 118 H HIS 431 HN HIS 431 -12.346 -20.782 -12.278 119 HA HIS 431 HA HIS 431 -14.505 -19.723 -10.782 120 HB2 HIS 431 HB2 HIS 431 -15.019 -20.557 -13.612 121 HB3 HIS 431 HB1 HIS 431 -16.249 -20.848 -12.385 122 HD1 HIS 431 HD1 HIS 431 -14.993 -18.290 -14.638 123 HD2 HIS 431 HD2 HIS 431 -17.080 -18.384 -11.043 124 HE1 HIS 431 HE1 HIS 431 -16.026 -16.001 -14.390 125 HE2 HIS 431 HE2 HIS 431 -17.194 -16.048 -12.147 126 H ALA 432 HN ALA 432 -14.948 -21.153 -9.278 127 HA ALA 432 HA ALA 432 -14.249 -23.970 -9.723 128 HB1 ALA 432 HB1 ALA 432 -14.336 -24.163 -7.277 129 HB2 ALA 432 HB2 ALA 432 -14.834 -22.473 -7.160 130 HB3 ALA 432 HB3 ALA 432 -13.233 -22.884 -7.779 131 HA PRO 433 HA PRO 433 -18.407 -25.409 -9.984 132 HB2 PRO 433 HB2 PRO 433 -18.401 -27.431 -8.076 133 HB3 PRO 433 HB1 PRO 433 -17.863 -27.595 -9.746 134 HG2 PRO 433 HG2 PRO 433 -16.253 -27.144 -7.274 135 HG3 PRO 433 HG1 PRO 433 -15.892 -28.163 -8.681 136 HD2 PRO 433 HD2 PRO 433 -14.707 -25.792 -8.350 137 HD3 PRO 433 HD1 PRO 433 -15.193 -26.360 -9.960 138 H ASN 434 HN ASN 434 -17.163 -24.593 -6.815 139 HA ASN 434 HA ASN 434 -19.668 -24.562 -5.458 140 HB2 ASN 434 HB2 ASN 434 -17.107 -23.111 -4.764 141 HB3 ASN 434 HB1 ASN 434 -18.458 -23.406 -3.676 142 HD21 ASN 434 HD21 ASN 434 -18.804 -25.489 -2.894 143 HD22 ASN 434 HD22 ASN 434 -17.574 -26.702 -2.961 144 H GLY 435 HN GLY 435 -18.307 -22.516 -7.763 145 HA2 GLY 435 HA2 GLY 435 -19.500 -20.687 -8.709 146 HA3 GLY 435 HA1 GLY 435 -20.306 -20.448 -7.163 147 H ARG 436 HN ARG 436 -17.166 -21.034 -6.496 148 HA ARG 436 HA ARG 436 -16.630 -18.243 -5.971 149 HB2 ARG 436 HB2 ARG 436 -15.235 -20.813 -5.253 150 HB3 ARG 436 HB1 ARG 436 -14.506 -19.244 -4.944 151 HG2 ARG 436 HG2 ARG 436 -17.168 -20.152 -3.863 152 HG3 ARG 436 HG1 ARG 436 -15.640 -20.188 -2.978 153 HD2 ARG 436 HD2 ARG 436 -17.038 -17.752 -4.068 154 HD3 ARG 436 HD1 ARG 436 -16.899 -18.219 -2.373 155 HE ARG 436 HE ARG 436 -14.421 -17.750 -3.853 156 HH11 ARG 436 HH11 ARG 436 -16.769 -16.626 -1.528 157 HH12 ARG 436 HH12 ARG 436 -15.729 -15.395 -0.869 158 HH21 ARG 436 HH21 ARG 436 -13.035 -16.148 -2.997 159 HH22 ARG 436 HH22 ARG 436 -13.596 -15.138 -1.694 160 HA PRO 437 HA PRO 437 -13.936 -18.005 -9.509 161 HB2 PRO 437 HB2 PRO 437 -13.482 -15.349 -9.386 162 HB3 PRO 437 HB1 PRO 437 -15.023 -16.014 -9.932 163 HG2 PRO 437 HG2 PRO 437 -14.341 -14.685 -7.381 164 HG3 PRO 437 HG1 PRO 437 -15.899 -14.792 -8.215 165 HD2 PRO 437 HD2 PRO 437 -14.996 -16.357 -6.015 166 HD3 PRO 437 HD1 PRO 437 -16.504 -16.549 -6.928 167 H PHE 438 HN PHE 438 -12.110 -19.149 -8.815 168 HA PHE 438 HA PHE 438 -10.339 -17.870 -6.917 169 HB2 PHE 438 HB2 PHE 438 -8.968 -19.880 -7.046 170 HB3 PHE 438 HB1 PHE 438 -10.648 -20.310 -6.772 171 HD1 PHE 438 HD1 PHE 438 -7.889 -20.331 -9.181 172 HD2 PHE 438 HD2 PHE 438 -11.884 -21.566 -8.401 173 HE1 PHE 438 HE1 PHE 438 -7.777 -21.877 -11.088 174 HE2 PHE 438 HE2 PHE 438 -11.775 -23.116 -10.308 175 HZ PHE 438 HZ PHE 438 -9.724 -23.273 -11.653 176 H PHE 439 HN PHE 439 -8.317 -17.108 -7.366 177 HA PHE 439 HA PHE 439 -7.987 -16.181 -10.101 178 HB2 PHE 439 HB2 PHE 439 -6.459 -15.380 -7.619 179 HB3 PHE 439 HB1 PHE 439 -6.481 -14.536 -9.165 180 HD1 PHE 439 HD2 PHE 439 -8.427 -13.246 -9.850 181 HD2 PHE 439 HD1 PHE 439 -8.296 -15.197 -6.074 182 HE1 PHE 439 HE2 PHE 439 -10.349 -11.908 -9.092 183 HE2 PHE 439 HE1 PHE 439 -10.219 -13.866 -5.308 184 HZ PHE 439 HZ PHE 439 -11.249 -12.216 -6.819 185 H ILE 440 HN ILE 440 -6.005 -16.346 -11.210 186 HA ILE 440 HA ILE 440 -4.231 -18.509 -10.269 187 HB ILE 440 HB ILE 440 -4.904 -18.006 -13.168 188 HG12 ILE 440 HG12 ILE 440 -6.072 -20.139 -11.368 189 HG13 ILE 440 HG11 ILE 440 -6.937 -18.697 -11.893 190 HG21 ILE 440 HG21 ILE 440 -2.818 -19.132 -12.855 191 HG22 ILE 440 HG22 ILE 440 -4.003 -20.323 -13.396 192 HG23 ILE 440 HG23 ILE 440 -3.539 -20.250 -11.697 193 HD11 ILE 440 HD11 ILE 440 -5.867 -20.861 -13.685 194 HD12 ILE 440 HD12 ILE 440 -6.744 -19.425 -14.209 195 HD13 ILE 440 HD13 ILE 440 -7.551 -20.637 -13.216 196 H ASP 441 HN ASP 441 -2.194 -17.807 -10.018 197 HA ASP 441 HA ASP 441 -1.415 -15.263 -11.189 198 HB2 ASP 441 HB2 ASP 441 -0.931 -15.495 -8.863 199 HB3 ASP 441 HB1 ASP 441 -0.181 -17.070 -9.111 200 H HIS 442 HN HIS 442 -0.369 -15.165 -13.048 201 HA HIS 442 HA HIS 442 0.794 -17.470 -14.298 202 HB2 HIS 442 HB2 HIS 442 0.793 -14.552 -15.077 203 HB3 HIS 442 HB1 HIS 442 1.480 -15.827 -16.068 204 HD1 HIS 442 HD1 HIS 442 -0.049 -16.866 -17.710 205 HD2 HIS 442 HD2 HIS 442 -2.104 -14.891 -14.683 206 HE1 HIS 442 HE1 HIS 442 -2.469 -16.914 -18.386 207 HE2 HIS 442 HE2 HIS 442 -3.617 -15.429 -16.708 208 H ASN 443 HN ASN 443 2.023 -15.302 -12.015 209 HA ASN 443 HA ASN 443 4.675 -15.071 -13.072 210 HB2 ASN 443 HB2 ASN 443 3.653 -14.582 -10.266 211 HB3 ASN 443 HB1 ASN 443 5.273 -14.183 -10.828 212 HD21 ASN 443 HD21 ASN 443 1.983 -13.254 -10.718 213 HD22 ASN 443 HD22 ASN 443 2.152 -11.761 -11.588 214 H THR 444 HN THR 444 3.378 -16.890 -10.283 215 HA THR 444 HA THR 444 5.748 -18.629 -10.485 216 HB THR 444 HB THR 444 5.444 -17.591 -8.291 217 HG1 THR 444 HG1 THR 444 4.749 -20.351 -8.059 218 HG21 THR 444 HG21 THR 444 3.523 -18.148 -6.877 219 HG22 THR 444 HG22 THR 444 2.793 -19.034 -8.215 220 HG23 THR 444 HG23 THR 444 3.021 -17.291 -8.334 221 H LYS 445 HN LYS 445 2.696 -18.496 -11.570 222 HA LYS 445 HA LYS 445 1.258 -19.973 -12.496 223 HB2 LYS 445 HB2 LYS 445 3.727 -21.667 -12.317 224 HB3 LYS 445 HB1 LYS 445 2.213 -22.366 -12.871 225 HG2 LYS 445 HG2 LYS 445 3.499 -21.729 -14.778 226 HG3 LYS 445 HG1 LYS 445 2.124 -20.637 -14.652 227 HD2 LYS 445 HD2 LYS 445 4.065 -19.347 -15.210 228 HD3 LYS 445 HD1 LYS 445 3.623 -18.986 -13.543 229 HE2 LYS 445 HE2 LYS 445 6.013 -19.226 -13.686 230 HE3 LYS 445 HE1 LYS 445 5.354 -20.588 -12.782 231 HZ1 LYS 445 HZ1 LYS 445 5.604 -21.995 -14.671 232 HZ2 LYS 445 HZ2 LYS 445 7.077 -21.188 -14.442 233 HZ3 LYS 445 HZ3 LYS 445 6.023 -20.692 -15.673 234 H THR 446 HN THR 446 0.290 -19.589 -10.247 235 HA THR 446 HA THR 446 -0.380 -22.214 -9.136 236 HB THR 446 HB THR 446 1.403 -21.215 -7.681 237 HG1 THR 446 HG1 THR 446 0.404 -22.213 -6.110 238 HG21 THR 446 HG21 THR 446 0.809 -19.296 -6.259 239 HG22 THR 446 HG22 THR 446 -0.696 -19.103 -7.159 240 HG23 THR 446 HG23 THR 446 0.854 -18.856 -7.966 241 H THR 447 HN THR 447 -2.326 -22.055 -7.704 242 HA THR 447 HA THR 447 -4.141 -19.946 -8.664 243 HB THR 447 HB THR 447 -5.946 -21.661 -7.996 244 HG1 THR 447 HG1 THR 447 -4.386 -23.786 -8.582 245 HG21 THR 447 HG21 THR 447 -5.794 -22.798 -10.161 246 HG22 THR 447 HG22 THR 447 -4.124 -22.254 -10.330 247 HG23 THR 447 HG23 THR 447 -5.438 -21.077 -10.315 248 H THR 448 HN THR 448 -5.439 -18.869 -7.176 249 HA THR 448 HA THR 448 -5.092 -19.564 -4.344 250 HB THR 448 HB THR 448 -3.449 -17.795 -4.854 251 HG1 THR 448 HG1 THR 448 -3.960 -17.370 -2.842 252 HG21 THR 448 HG21 THR 448 -5.862 -16.137 -5.596 253 HG22 THR 448 HG22 THR 448 -4.617 -16.708 -6.706 254 HG23 THR 448 HG23 THR 448 -4.208 -15.542 -5.449 255 H TRP 449 HN TRP 449 -6.700 -18.617 -2.942 256 HA TRP 449 HA TRP 449 -9.260 -18.252 -4.348 257 HB2 TRP 449 HB2 TRP 449 -8.636 -19.153 -1.531 258 HB3 TRP 449 HB1 TRP 449 -10.265 -18.853 -2.127 259 HD1 TRP 449 HD1 TRP 449 -7.410 -21.373 -2.360 260 HE1 TRP 449 HE1 TRP 449 -8.281 -23.515 -3.499 261 HE3 TRP 449 HE3 TRP 449 -12.017 -19.695 -3.808 262 HZ2 TRP 449 HZ2 TRP 449 -10.623 -24.363 -4.835 263 HZ3 TRP 449 HZ3 TRP 449 -13.508 -21.233 -5.009 264 HH2 TRP 449 HH2 TRP 449 -12.826 -23.518 -5.512 265 H GLU 450 HN GLU 450 -6.910 -16.481 -2.875 266 HA GLU 450 HA GLU 450 -8.703 -14.658 -1.458 267 HB2 GLU 450 HB2 GLU 450 -6.488 -15.538 -0.523 268 HB3 GLU 450 HB1 GLU 450 -5.706 -14.453 -1.662 269 HG2 GLU 450 HG2 GLU 450 -6.475 -12.556 -0.574 270 HG3 GLU 450 HG1 GLU 450 -7.751 -13.437 0.267 271 H ASP 451 HN ASP 451 -8.532 -12.336 -1.838 272 HA ASP 451 HA ASP 451 -8.411 -11.818 -4.719 273 HB2 ASP 451 HB2 ASP 451 -10.522 -11.206 -3.705 274 HB3 ASP 451 HB1 ASP 451 -9.703 -10.252 -2.469 275 HA PRO 452 HA PRO 452 -4.703 -9.533 -3.962 276 HB2 PRO 452 HB2 PRO 452 -4.046 -9.081 -6.516 277 HB3 PRO 452 HB1 PRO 452 -3.974 -10.696 -5.805 278 HG2 PRO 452 HG2 PRO 452 -5.977 -9.533 -7.662 279 HG3 PRO 452 HG1 PRO 452 -5.399 -11.204 -7.530 280 HD2 PRO 452 HD2 PRO 452 -7.793 -10.156 -6.463 281 HD3 PRO 452 HD1 PRO 452 -7.077 -11.736 -6.102 282 H ARG 453 HN ARG 453 -7.620 -8.093 -5.104 283 HA ARG 453 HA ARG 453 -6.348 -5.526 -5.490 284 HB2 ARG 453 HB2 ARG 453 -9.258 -6.320 -5.516 285 HB3 ARG 453 HB1 ARG 453 -8.638 -4.728 -5.925 286 HG2 ARG 453 HG2 ARG 453 -8.079 -7.293 -7.395 287 HG3 ARG 453 HG1 ARG 453 -9.134 -5.985 -7.927 288 HD2 ARG 453 HD2 ARG 453 -6.150 -5.850 -7.518 289 HD3 ARG 453 HD1 ARG 453 -7.000 -5.849 -9.059 290 HE ARG 453 HE ARG 453 -7.623 -3.687 -7.202 291 HH11 ARG 453 HH11 ARG 453 -5.906 -4.757 -10.058 292 HH12 ARG 453 HH12 ARG 453 -5.579 -3.148 -10.626 293 HH21 ARG 453 HH21 ARG 453 -7.197 -1.583 -7.923 294 HH22 ARG 453 HH22 ARG 453 -6.302 -1.338 -9.397 295 H LEU 454 HN LEU 454 -8.339 -7.124 -3.016 296 HA LEU 454 HA LEU 454 -8.693 -4.703 -1.514 297 HB2 LEU 454 HB2 LEU 454 -9.494 -6.260 0.301 298 HB3 LEU 454 HB1 LEU 454 -10.388 -6.282 -1.203 299 HG LEU 454 HG LEU 454 -8.982 -8.357 -1.791 300 HD11 LEU 454 HD11 LEU 454 -8.172 -9.648 0.113 301 HD12 LEU 454 HD12 LEU 454 -8.551 -8.305 1.192 302 HD13 LEU 454 HD13 LEU 454 -7.303 -8.120 -0.041 303 HD21 LEU 454 HD21 LEU 454 -11.359 -8.426 -1.277 304 HD22 LEU 454 HD22 LEU 454 -10.997 -8.461 0.449 305 HD23 LEU 454 HD23 LEU 454 -10.527 -9.816 -0.578 306 H LYS 455 HN LYS 455 -6.087 -6.660 -1.961 307 HA LYS 455 HA LYS 455 -4.641 -5.274 0.135 308 HB2 LYS 455 HB2 LYS 455 -3.504 -7.303 0.932 309 HB3 LYS 455 HB1 LYS 455 -5.227 -7.375 1.245 310 HG2 LYS 455 HG2 LYS 455 -5.518 -8.862 -0.668 311 HG3 LYS 455 HG1 LYS 455 -3.788 -8.774 -1.001 312 HD2 LYS 455 HD2 LYS 455 -4.281 -10.808 0.206 313 HD3 LYS 455 HD1 LYS 455 -3.340 -9.724 1.231 314 HE2 LYS 455 HE2 LYS 455 -5.435 -8.994 2.315 315 HE3 LYS 455 HE1 LYS 455 -6.325 -10.158 1.336 316 HZ1 LYS 455 HZ1 LYS 455 -5.926 -11.148 3.437 317 HZ2 LYS 455 HZ2 LYS 455 -4.283 -10.731 3.411 318 HZ3 LYS 455 HZ3 LYS 455 -4.875 -11.907 2.340 319 H ILE 456 HN ILE 456 -2.432 -4.960 -0.450 320 HA ILE 456 HA ILE 456 -1.928 -5.712 -3.251 321 HB ILE 456 HB ILE 456 -1.277 -3.049 -1.982 322 HG12 ILE 456 HG12 ILE 456 -3.317 -3.750 -4.106 323 HG13 ILE 456 HG11 ILE 456 -3.694 -3.390 -2.425 324 HG21 ILE 456 HG21 ILE 456 -0.610 -2.384 -4.243 325 HG22 ILE 456 HG22 ILE 456 -0.913 -4.026 -4.812 326 HG23 ILE 456 HG23 ILE 456 0.372 -3.720 -3.643 327 HD11 ILE 456 HD11 ILE 456 -4.122 -1.481 -3.852 328 HD12 ILE 456 HD12 ILE 456 -2.446 -1.500 -4.405 329 HD13 ILE 456 HD13 ILE 456 -2.814 -1.133 -2.719 330 HA PRO 457 HA PRO 457 1.750 -7.394 -1.312 331 HB2 PRO 457 HB2 PRO 457 2.323 -8.221 -4.082 332 HB3 PRO 457 HB1 PRO 457 2.146 -9.211 -2.631 333 HG2 PRO 457 HG2 PRO 457 0.284 -9.205 -4.563 334 HG3 PRO 457 HG1 PRO 457 -0.152 -9.353 -2.850 335 HD2 PRO 457 HD2 PRO 457 -0.276 -6.952 -4.635 336 HD3 PRO 457 HD1 PRO 457 -1.448 -7.519 -3.425 337 H ALA 458 HN ALA 458 3.415 -6.137 -0.896 338 HA ALA 458 HA ALA 458 4.706 -4.685 -3.112 339 HB1 ALA 458 HB1 ALA 458 3.373 -3.114 -1.796 340 HB2 ALA 458 HB2 ALA 458 5.099 -2.788 -1.632 341 HB3 ALA 458 HB3 ALA 458 4.229 -3.607 -0.335 342 H1 THR 638 HN THR 638 -16.037 -27.773 -1.247 343 HA THR 638 HA THR 638 -15.264 -25.384 -2.373 344 HB THR 638 HB THR 638 -13.472 -25.979 -0.010 345 HG1 THR 638 HG1 THR 638 -15.868 -24.716 -0.084 346 HG21 THR 638 HG21 THR 638 -13.675 -23.590 -1.853 347 HG22 THR 638 HG22 THR 638 -12.421 -24.830 -1.912 348 HG23 THR 638 HG23 THR 638 -12.547 -23.769 -0.508 349 H ALA 639 HN ALA 639 -14.630 -26.425 -4.157 350 HA ALA 639 HA ALA 639 -12.954 -28.794 -3.971 351 HB1 ALA 639 HB1 ALA 639 -14.112 -27.413 -6.390 352 HB2 ALA 639 HB2 ALA 639 -14.830 -28.782 -5.540 353 HB3 ALA 639 HB3 ALA 639 -13.289 -28.974 -6.380 354 HA PRO 640 HA PRO 640 -9.315 -26.199 -4.289 355 HB2 PRO 640 HB2 PRO 640 -7.553 -28.300 -4.429 356 HB3 PRO 640 HB1 PRO 640 -8.207 -27.659 -2.920 357 HG2 PRO 640 HG2 PRO 640 -9.069 -30.053 -4.491 358 HG3 PRO 640 HG1 PRO 640 -8.909 -29.859 -2.734 359 HD2 PRO 640 HD2 PRO 640 -11.302 -29.755 -3.963 360 HD3 PRO 640 HD1 PRO 640 -10.930 -28.757 -2.544 361 HA PRO 641 HA PRO 641 -8.865 -26.506 -8.704 362 HB2 PRO 641 HB2 PRO 641 -7.521 -24.239 -9.099 363 HB3 PRO 641 HB1 PRO 641 -9.199 -24.217 -8.550 364 HG2 PRO 641 HG2 PRO 641 -6.694 -23.802 -6.977 365 HG3 PRO 641 HG1 PRO 641 -8.252 -22.967 -6.847 366 HD2 PRO 641 HD2 PRO 641 -7.398 -25.057 -5.217 367 HD3 PRO 641 HD1 PRO 641 -9.079 -24.528 -5.413 368 HA PRO 642 HA PRO 642 -4.834 -28.274 -9.301 369 HB2 PRO 642 HB2 PRO 642 -5.096 -27.971 -12.158 370 HB3 PRO 642 HB1 PRO 642 -5.296 -29.429 -11.186 371 HG2 PRO 642 HG2 PRO 642 -7.346 -28.173 -12.504 372 HG3 PRO 642 HG1 PRO 642 -7.561 -29.189 -11.069 373 HD2 PRO 642 HD2 PRO 642 -7.473 -26.206 -11.285 374 HD3 PRO 642 HD1 PRO 642 -8.516 -27.236 -10.278 375 H ALA 643 HN ALA 643 -2.820 -27.906 -10.636 376 HA ALA 643 HA ALA 643 -1.942 -25.213 -10.290 377 HB1 ALA 643 HB1 ALA 643 0.201 -26.007 -11.137 378 HB2 ALA 643 HB2 ALA 643 -0.550 -27.517 -11.655 379 HB3 ALA 643 HB3 ALA 643 -0.448 -27.126 -9.937 380 H TYR 644 HN TYR 644 -1.018 -23.855 -11.948 381 HA TYR 644 HA TYR 644 -2.761 -23.381 -14.082 382 HB2 TYR 644 HB2 TYR 644 -1.366 -21.621 -13.121 383 HB3 TYR 644 HB1 TYR 644 0.086 -22.420 -13.717 384 HD1 TYR 644 HD2 TYR 644 -3.073 -20.829 -14.835 385 HD2 TYR 644 HD1 TYR 644 0.901 -21.919 -15.874 386 HE1 TYR 644 HE2 TYR 644 -3.288 -19.572 -16.931 387 HE2 TYR 644 HE1 TYR 644 0.697 -20.662 -17.980 388 HH TYR 644 HH TYR 644 -1.201 -19.910 -19.499 389 H ALA 645 HN ALA 645 0.254 -25.160 -13.929 390 HA ALA 645 HA ALA 645 0.822 -25.339 -16.655 391 HB1 ALA 645 HB1 ALA 645 1.452 -27.355 -14.514 392 HB2 ALA 645 HB2 ALA 645 2.401 -25.915 -14.883 393 HB3 ALA 645 HB3 ALA 645 2.251 -27.204 -16.078 394 H THR 646 HN THR 646 -1.688 -26.941 -14.884 395 HA THR 646 HA THR 646 -1.990 -28.816 -17.132 396 HB THR 646 HB THR 646 -1.570 -29.950 -14.991 397 HG1 THR 646 HG1 THR 646 -4.285 -30.460 -15.571 398 HG21 THR 646 HG21 THR 646 -2.578 -28.325 -13.467 399 HG22 THR 646 HG22 THR 646 -3.276 -29.926 -13.225 400 HG23 THR 646 HG23 THR 646 -4.177 -28.699 -14.117 401 H LEU 647 HN LEU 647 -3.514 -26.217 -15.427 402 HA LEU 647 HA LEU 647 -6.137 -26.905 -16.464 403 HB2 LEU 647 HB2 LEU 647 -6.899 -24.825 -15.353 404 HB3 LEU 647 HB1 LEU 647 -6.159 -25.983 -14.272 405 HG LEU 647 HG LEU 647 -4.030 -24.564 -14.495 406 HD11 LEU 647 HD11 LEU 647 -6.046 -22.549 -15.467 407 HD12 LEU 647 HD12 LEU 647 -4.725 -23.229 -16.414 408 HD13 LEU 647 HD13 LEU 647 -4.374 -22.215 -15.016 409 HD21 LEU 647 HD21 LEU 647 -6.476 -23.471 -13.119 410 HD22 LEU 647 HD22 LEU 647 -4.808 -23.035 -12.748 411 HD23 LEU 647 HD23 LEU 647 -5.368 -24.685 -12.480 412 H GLY 648 HN GLY 648 -3.428 -25.323 -17.618 413 HA2 GLY 648 HA2 GLY 648 -4.770 -24.528 -20.007 414 HA3 GLY 648 HA1 GLY 648 -4.348 -23.134 -19.025 Start of MODEL 14 1 H1 GLY 416 HT1 GLY 416 -11.545 6.870 -5.240 2 H2 GLY 416 HT2 GLY 416 -10.710 5.752 -6.201 3 H3 GLY 416 HT3 GLY 416 -10.153 6.106 -4.639 4 HA2 GLY 416 HA1 GLY 416 -12.169 5.146 -3.689 5 HA3 GLY 416 HA2 GLY 416 -12.705 4.753 -5.319 6 H SER 417 HN SER 417 -12.667 2.643 -3.851 7 HA SER 417 HA SER 417 -10.047 1.385 -3.833 8 HB2 SER 417 HB2 SER 417 -12.744 0.256 -3.035 9 HB3 SER 417 HB1 SER 417 -11.164 -0.446 -2.678 10 HG SER 417 HG SER 417 -10.996 1.967 -1.771 11 H MET 418 HN MET 418 -9.797 -0.804 -4.772 12 HA MET 418 HA MET 418 -10.295 -0.816 -7.521 13 HB2 MET 418 HB2 MET 418 -9.729 -3.235 -5.799 14 HB3 MET 418 HB1 MET 418 -9.409 -3.069 -7.520 15 HG2 MET 418 HG2 MET 418 -8.075 -1.548 -5.297 16 HG3 MET 418 HG1 MET 418 -7.368 -2.847 -6.254 17 HE1 MET 418 HE1 MET 418 -5.301 -1.091 -6.565 18 HE2 MET 418 HE2 MET 418 -6.202 0.172 -5.726 19 HE3 MET 418 HE3 MET 418 -5.497 0.495 -7.311 20 H GLU 419 HN GLU 419 -11.993 -1.482 -8.748 21 HA GLU 419 HA GLU 419 -14.447 -2.019 -7.438 22 HB2 GLU 419 HB2 GLU 419 -15.235 -2.182 -9.881 23 HB3 GLU 419 HB1 GLU 419 -14.647 -0.642 -9.274 24 HG2 GLU 419 HG2 GLU 419 -13.825 -1.106 -11.520 25 HG3 GLU 419 HG1 GLU 419 -12.508 -0.996 -10.358 26 H GLN 420 HN GLN 420 -12.553 -4.242 -7.078 27 HA GLN 420 HA GLN 420 -12.674 -6.437 -6.859 28 HB2 GLN 420 HB2 GLN 420 -15.455 -6.159 -7.980 29 HB3 GLN 420 HB1 GLN 420 -14.805 -7.604 -7.214 30 HG2 GLN 420 HG2 GLN 420 -14.530 -6.411 -5.126 31 HG3 GLN 420 HG1 GLN 420 -15.098 -4.921 -5.881 32 HE21 GLN 420 HE21 GLN 420 -17.272 -4.697 -6.383 33 HE22 GLN 420 HE22 GLN 420 -18.481 -5.730 -5.694 34 H GLY 421 HN GLY 421 -13.976 -5.622 -10.181 35 HA2 GLY 421 HA2 GLY 421 -13.153 -8.283 -10.987 36 HA3 GLY 421 HA1 GLY 421 -14.116 -7.158 -11.916 37 H PHE 422 HN PHE 422 -11.459 -5.408 -10.914 38 HA PHE 422 HA PHE 422 -10.108 -6.082 -13.439 39 HB2 PHE 422 HB2 PHE 422 -10.869 -3.672 -13.009 40 HB3 PHE 422 HB1 PHE 422 -9.570 -3.592 -11.821 41 HD1 PHE 422 HD2 PHE 422 -10.362 -3.959 -15.385 42 HD2 PHE 422 HD1 PHE 422 -7.287 -3.456 -12.494 43 HE1 PHE 422 HE2 PHE 422 -8.769 -3.425 -17.182 44 HE2 PHE 422 HE1 PHE 422 -5.684 -2.921 -14.281 45 HZ PHE 422 HZ PHE 422 -6.425 -2.905 -16.631 46 H LEU 423 HN LEU 423 -8.507 -7.410 -13.226 47 HA LEU 423 HA LEU 423 -7.221 -7.692 -10.621 48 HB2 LEU 423 HB2 LEU 423 -7.245 -9.448 -13.069 49 HB3 LEU 423 HB1 LEU 423 -6.217 -9.762 -11.689 50 HG LEU 423 HG LEU 423 -8.095 -11.180 -11.464 51 HD11 LEU 423 HD11 LEU 423 -9.126 -10.423 -9.383 52 HD12 LEU 423 HD12 LEU 423 -8.505 -8.800 -9.666 53 HD13 LEU 423 HD13 LEU 423 -7.386 -10.133 -9.388 54 HD21 LEU 423 HD21 LEU 423 -9.608 -10.070 -13.018 55 HD22 LEU 423 HD22 LEU 423 -9.847 -8.758 -11.863 56 HD23 LEU 423 HD23 LEU 423 -10.409 -10.384 -11.478 57 HA PRO 424 HA PRO 424 -3.343 -5.899 -11.767 58 HB2 PRO 424 HB2 PRO 424 -2.006 -8.107 -10.332 59 HB3 PRO 424 HB1 PRO 424 -1.969 -6.374 -10.006 60 HG2 PRO 424 HG2 PRO 424 -3.308 -8.076 -8.420 61 HG3 PRO 424 HG1 PRO 424 -3.901 -6.433 -8.740 62 HD2 PRO 424 HD2 PRO 424 -4.798 -9.035 -9.909 63 HD3 PRO 424 HD1 PRO 424 -5.764 -7.636 -9.402 64 H LYS 425 HN LYS 425 -1.133 -6.594 -12.650 65 HA LYS 425 HA LYS 425 -1.686 -7.986 -15.084 66 HB2 LYS 425 HB2 LYS 425 -0.119 -6.009 -14.759 67 HB3 LYS 425 HB1 LYS 425 1.034 -7.152 -14.088 68 HG2 LYS 425 HG2 LYS 425 1.526 -6.718 -16.417 69 HG3 LYS 425 HG1 LYS 425 1.023 -8.395 -16.202 70 HD2 LYS 425 HD2 LYS 425 -1.144 -7.940 -17.084 71 HD3 LYS 425 HD1 LYS 425 -0.859 -6.200 -17.053 72 HE2 LYS 425 HE2 LYS 425 -0.666 -7.006 -19.315 73 HE3 LYS 425 HE1 LYS 425 0.917 -6.496 -18.738 74 HZ1 LYS 425 HZ1 LYS 425 1.539 -8.772 -18.404 75 HZ2 LYS 425 HZ2 LYS 425 0.937 -8.611 -19.980 76 HZ3 LYS 425 HZ3 LYS 425 -0.024 -9.316 -18.776 77 H GLY 426 HN GLY 426 -1.882 -10.129 -15.129 78 HA2 GLY 426 HA2 GLY 426 -0.557 -12.171 -15.306 79 HA3 GLY 426 HA1 GLY 426 0.249 -11.698 -13.818 80 H TRP 427 HN TRP 427 -2.485 -10.826 -12.783 81 HA TRP 427 HA TRP 427 -3.172 -13.405 -11.663 82 HB2 TRP 427 HB2 TRP 427 -4.316 -10.653 -11.129 83 HB3 TRP 427 HB1 TRP 427 -4.678 -12.104 -10.200 84 HD1 TRP 427 HD1 TRP 427 -1.617 -9.882 -11.060 85 HE1 TRP 427 HE1 TRP 427 0.006 -9.951 -9.066 86 HE3 TRP 427 HE3 TRP 427 -4.090 -13.259 -8.120 87 HZ2 TRP 427 HZ2 TRP 427 0.207 -11.257 -6.573 88 HZ3 TRP 427 HZ3 TRP 427 -3.113 -13.859 -5.945 89 HH2 TRP 427 HH2 TRP 427 -1.010 -12.880 -5.188 90 H GLU 428 HN GLU 428 -4.502 -14.725 -12.746 91 HA GLU 428 HA GLU 428 -6.704 -13.581 -14.292 92 HB2 GLU 428 HB2 GLU 428 -4.854 -15.470 -14.927 93 HB3 GLU 428 HB1 GLU 428 -6.177 -16.480 -14.363 94 HG2 GLU 428 HG2 GLU 428 -6.441 -16.282 -16.689 95 HG3 GLU 428 HG1 GLU 428 -7.657 -15.226 -15.971 96 H VAL 429 HN VAL 429 -8.669 -15.072 -14.343 97 HA VAL 429 HA VAL 429 -9.357 -15.923 -11.611 98 HB VAL 429 HB VAL 429 -11.135 -14.291 -13.442 99 HG11 VAL 429 HG11 VAL 429 -12.425 -15.916 -12.170 100 HG12 VAL 429 HG12 VAL 429 -12.728 -14.285 -11.568 101 HG13 VAL 429 HG13 VAL 429 -11.666 -15.375 -10.674 102 HG21 VAL 429 HG21 VAL 429 -9.871 -13.561 -10.802 103 HG22 VAL 429 HG22 VAL 429 -10.979 -12.552 -11.731 104 HG23 VAL 429 HG23 VAL 429 -9.389 -12.946 -12.382 105 H ARG 430 HN ARG 430 -10.273 -17.901 -11.516 106 HA ARG 430 HA ARG 430 -11.261 -19.017 -14.056 107 HB2 ARG 430 HB2 ARG 430 -9.289 -20.079 -12.460 108 HB3 ARG 430 HB1 ARG 430 -10.717 -20.985 -11.958 109 HG2 ARG 430 HG2 ARG 430 -11.174 -21.488 -14.350 110 HG3 ARG 430 HG1 ARG 430 -9.650 -20.703 -14.762 111 HD2 ARG 430 HD2 ARG 430 -8.493 -22.343 -13.279 112 HD3 ARG 430 HD1 ARG 430 -10.039 -23.171 -13.075 113 HE ARG 430 HE ARG 430 -8.606 -22.898 -15.642 114 HH11 ARG 430 HH11 ARG 430 -10.819 -24.610 -13.533 115 HH12 ARG 430 HH12 ARG 430 -10.978 -25.975 -14.599 116 HH21 ARG 430 HH21 ARG 430 -8.811 -24.690 -17.050 117 HH22 ARG 430 HH22 ARG 430 -9.836 -26.021 -16.589 118 H HIS 431 HN HIS 431 -12.448 -21.316 -12.494 119 HA HIS 431 HA HIS 431 -14.689 -20.122 -11.248 120 HB2 HIS 431 HB2 HIS 431 -14.875 -20.725 -14.154 121 HB3 HIS 431 HB1 HIS 431 -16.245 -21.188 -13.148 122 HD1 HIS 431 HD1 HIS 431 -15.958 -18.767 -15.354 123 HD2 HIS 431 HD2 HIS 431 -16.209 -18.480 -11.207 124 HE1 HIS 431 HE1 HIS 431 -16.818 -16.448 -14.877 125 HE2 HIS 431 HE2 HIS 431 -16.860 -16.257 -12.360 126 H ALA 432 HN ALA 432 -14.918 -21.569 -9.676 127 HA ALA 432 HA ALA 432 -14.528 -24.394 -10.161 128 HB1 ALA 432 HB1 ALA 432 -15.044 -24.651 -7.779 129 HB2 ALA 432 HB2 ALA 432 -15.513 -22.954 -7.690 130 HB3 ALA 432 HB3 ALA 432 -13.838 -23.389 -8.028 131 HA PRO 433 HA PRO 433 -18.590 -25.679 -11.274 132 HB2 PRO 433 HB2 PRO 433 -19.068 -27.640 -9.336 133 HB3 PRO 433 HB1 PRO 433 -18.276 -27.887 -10.892 134 HG2 PRO 433 HG2 PRO 433 -17.068 -27.462 -8.193 135 HG3 PRO 433 HG1 PRO 433 -16.527 -28.520 -9.513 136 HD2 PRO 433 HD2 PRO 433 -15.282 -26.216 -9.019 137 HD3 PRO 433 HD1 PRO 433 -15.560 -26.756 -10.690 138 H ASN 434 HN ASN 434 -18.084 -25.041 -7.835 139 HA ASN 434 HA ASN 434 -20.867 -24.721 -7.224 140 HB2 ASN 434 HB2 ASN 434 -18.442 -23.813 -5.653 141 HB3 ASN 434 HB1 ASN 434 -20.092 -23.934 -5.045 142 HD21 ASN 434 HD21 ASN 434 -20.972 -25.944 -4.645 143 HD22 ASN 434 HD22 ASN 434 -20.005 -27.378 -4.532 144 H GLY 435 HN GLY 435 -18.715 -22.800 -8.896 145 HA2 GLY 435 HA2 GLY 435 -19.290 -20.719 -9.852 146 HA3 GLY 435 HA1 GLY 435 -20.453 -20.473 -8.557 147 H ARG 436 HN ARG 436 -17.371 -21.594 -7.586 148 HA ARG 436 HA ARG 436 -16.801 -18.989 -6.415 149 HB2 ARG 436 HB2 ARG 436 -15.606 -21.724 -5.937 150 HB3 ARG 436 HB1 ARG 436 -15.037 -20.257 -5.151 151 HG2 ARG 436 HG2 ARG 436 -17.832 -21.349 -4.941 152 HG3 ARG 436 HG1 ARG 436 -16.558 -21.587 -3.746 153 HD2 ARG 436 HD2 ARG 436 -17.689 -18.928 -4.613 154 HD3 ARG 436 HD1 ARG 436 -18.081 -19.768 -3.114 155 HE ARG 436 HE ARG 436 -15.515 -19.563 -2.747 156 HH11 ARG 436 HH11 ARG 436 -17.610 -17.172 -4.250 157 HH12 ARG 436 HH12 ARG 436 -16.619 -15.827 -3.759 158 HH21 ARG 436 HH21 ARG 436 -14.234 -17.780 -2.111 159 HH22 ARG 436 HH22 ARG 436 -14.720 -16.167 -2.544 160 HA PRO 437 HA PRO 437 -13.765 -18.493 -9.670 161 HB2 PRO 437 HB2 PRO 437 -13.491 -15.839 -9.418 162 HB3 PRO 437 HB1 PRO 437 -14.929 -16.552 -10.156 163 HG2 PRO 437 HG2 PRO 437 -14.567 -15.411 -7.430 164 HG3 PRO 437 HG1 PRO 437 -15.975 -15.339 -8.499 165 HD2 PRO 437 HD2 PRO 437 -15.650 -17.098 -6.357 166 HD3 PRO 437 HD1 PRO 437 -16.810 -17.291 -7.685 167 H PHE 438 HN PHE 438 -11.870 -19.435 -8.909 168 HA PHE 438 HA PHE 438 -10.443 -17.998 -6.811 169 HB2 PHE 438 HB2 PHE 438 -8.916 -19.869 -6.698 170 HB3 PHE 438 HB1 PHE 438 -10.565 -20.457 -6.604 171 HD1 PHE 438 HD1 PHE 438 -7.636 -20.127 -8.840 172 HD2 PHE 438 HD2 PHE 438 -11.370 -22.049 -8.141 173 HE1 PHE 438 HE1 PHE 438 -7.140 -21.730 -10.640 174 HE2 PHE 438 HE2 PHE 438 -10.876 -23.656 -9.938 175 HZ PHE 438 HZ PHE 438 -8.763 -23.500 -11.189 176 H PHE 439 HN PHE 439 -8.133 -17.516 -7.134 177 HA PHE 439 HA PHE 439 -7.865 -16.280 -9.761 178 HB2 PHE 439 HB2 PHE 439 -6.233 -15.789 -7.264 179 HB3 PHE 439 HB1 PHE 439 -6.229 -14.818 -8.733 180 HD1 PHE 439 HD2 PHE 439 -8.654 -13.959 -9.435 181 HD2 PHE 439 HD1 PHE 439 -7.463 -15.027 -5.492 182 HE1 PHE 439 HE2 PHE 439 -10.470 -12.573 -8.517 183 HE2 PHE 439 HE1 PHE 439 -9.277 -13.646 -4.561 184 HZ PHE 439 HZ PHE 439 -10.783 -12.414 -6.076 185 H ILE 440 HN ILE 440 -6.161 -16.538 -11.075 186 HA ILE 440 HA ILE 440 -4.294 -18.739 -10.457 187 HB ILE 440 HB ILE 440 -5.126 -17.717 -13.186 188 HG12 ILE 440 HG12 ILE 440 -5.956 -20.263 -11.775 189 HG13 ILE 440 HG11 ILE 440 -6.984 -18.854 -12.006 190 HG21 ILE 440 HG21 ILE 440 -2.892 -18.666 -13.157 191 HG22 ILE 440 HG22 ILE 440 -3.999 -19.729 -14.021 192 HG23 ILE 440 HG23 ILE 440 -3.500 -20.125 -12.378 193 HD11 ILE 440 HD11 ILE 440 -5.814 -20.553 -14.198 194 HD12 ILE 440 HD12 ILE 440 -6.867 -19.156 -14.418 195 HD13 ILE 440 HD13 ILE 440 -7.480 -20.605 -13.619 196 H ASP 441 HN ASP 441 -2.125 -18.294 -10.586 197 HA ASP 441 HA ASP 441 -1.482 -15.471 -11.129 198 HB2 ASP 441 HB2 ASP 441 -1.040 -16.011 -8.834 199 HB3 ASP 441 HB1 ASP 441 -0.122 -17.443 -9.296 200 H HIS 442 HN HIS 442 -0.517 -15.100 -12.956 201 HA HIS 442 HA HIS 442 0.903 -17.137 -14.423 202 HB2 HIS 442 HB2 HIS 442 0.367 -14.216 -14.915 203 HB3 HIS 442 HB1 HIS 442 1.424 -15.147 -15.961 204 HD1 HIS 442 HD1 HIS 442 0.336 -16.436 -17.794 205 HD2 HIS 442 HD2 HIS 442 -2.392 -15.137 -14.939 206 HE1 HIS 442 HE1 HIS 442 -1.935 -16.924 -18.754 207 HE2 HIS 442 HE2 HIS 442 -3.544 -15.854 -17.139 208 H ASN 443 HN ASN 443 1.912 -15.441 -11.773 209 HA ASN 443 HA ASN 443 4.462 -14.576 -12.897 210 HB2 ASN 443 HB2 ASN 443 3.323 -14.250 -10.114 211 HB3 ASN 443 HB1 ASN 443 4.894 -13.639 -10.625 212 HD21 ASN 443 HD21 ASN 443 1.493 -13.195 -10.670 213 HD22 ASN 443 HD22 ASN 443 1.490 -11.668 -11.499 214 H THR 444 HN THR 444 3.448 -16.551 -10.088 215 HA THR 444 HA THR 444 6.048 -17.926 -10.276 216 HB THR 444 HB THR 444 5.586 -16.907 -8.086 217 HG1 THR 444 HG1 THR 444 5.570 -19.756 -8.179 218 HG21 THR 444 HG21 THR 444 3.796 -17.751 -6.654 219 HG22 THR 444 HG22 THR 444 3.229 -18.790 -7.963 220 HG23 THR 444 HG23 THR 444 3.139 -17.035 -8.127 221 H LYS 445 HN LYS 445 3.062 -18.275 -11.421 222 HA LYS 445 HA LYS 445 1.971 -19.974 -12.444 223 HB2 LYS 445 HB2 LYS 445 4.371 -21.689 -11.777 224 HB3 LYS 445 HB1 LYS 445 3.159 -22.002 -13.014 225 HG2 LYS 445 HG2 LYS 445 5.010 -19.627 -13.013 226 HG3 LYS 445 HG1 LYS 445 5.299 -21.125 -13.900 227 HD2 LYS 445 HD2 LYS 445 3.656 -20.695 -15.429 228 HD3 LYS 445 HD1 LYS 445 2.692 -19.754 -14.289 229 HE2 LYS 445 HE2 LYS 445 3.722 -18.419 -16.132 230 HE3 LYS 445 HE1 LYS 445 4.126 -17.870 -14.511 231 HZ1 LYS 445 HZ1 LYS 445 6.018 -17.927 -16.092 232 HZ2 LYS 445 HZ2 LYS 445 5.887 -19.618 -16.143 233 HZ3 LYS 445 HZ3 LYS 445 6.277 -18.839 -14.684 234 H THR 446 HN THR 446 0.720 -19.621 -10.344 235 HA THR 446 HA THR 446 0.141 -22.248 -9.264 236 HB THR 446 HB THR 446 1.892 -21.287 -7.737 237 HG1 THR 446 HG1 THR 446 0.397 -21.512 -5.789 238 HG21 THR 446 HG21 THR 446 1.257 -18.927 -7.913 239 HG22 THR 446 HG22 THR 446 1.252 -19.459 -6.232 240 HG23 THR 446 HG23 THR 446 -0.270 -19.269 -7.102 241 H THR 447 HN THR 447 -1.688 -21.825 -7.471 242 HA THR 447 HA THR 447 -3.575 -19.852 -8.576 243 HB THR 447 HB THR 447 -5.369 -21.445 -7.696 244 HG1 THR 447 HG1 THR 447 -4.102 -23.717 -7.981 245 HG21 THR 447 HG21 THR 447 -3.618 -22.373 -9.976 246 HG22 THR 447 HG22 THR 447 -4.906 -21.172 -10.077 247 HG23 THR 447 HG23 THR 447 -5.294 -22.853 -9.703 248 H THR 448 HN THR 448 -4.946 -18.789 -7.001 249 HA THR 448 HA THR 448 -4.223 -19.239 -4.211 250 HB THR 448 HB THR 448 -2.577 -17.593 -5.225 251 HG1 THR 448 HG1 THR 448 -2.433 -16.659 -3.299 252 HG21 THR 448 HG21 THR 448 -3.346 -15.274 -5.471 253 HG22 THR 448 HG22 THR 448 -5.006 -15.800 -5.198 254 HG23 THR 448 HG23 THR 448 -4.133 -16.346 -6.628 255 H TRP 449 HN TRP 449 -5.600 -18.187 -2.698 256 HA TRP 449 HA TRP 449 -8.234 -17.549 -3.829 257 HB2 TRP 449 HB2 TRP 449 -7.448 -18.575 -1.096 258 HB3 TRP 449 HB1 TRP 449 -9.084 -18.094 -1.532 259 HD1 TRP 449 HD1 TRP 449 -6.580 -20.923 -1.960 260 HE1 TRP 449 HE1 TRP 449 -7.758 -22.931 -3.065 261 HE3 TRP 449 HE3 TRP 449 -11.008 -18.681 -3.201 262 HZ2 TRP 449 HZ2 TRP 449 -10.237 -23.481 -4.306 263 HZ3 TRP 449 HZ3 TRP 449 -12.726 -20.019 -4.348 264 HH2 TRP 449 HH2 TRP 449 -12.348 -22.369 -4.888 265 H GLU 450 HN GLU 450 -5.564 -16.159 -2.229 266 HA GLU 450 HA GLU 450 -6.996 -14.145 -0.794 267 HB2 GLU 450 HB2 GLU 450 -4.765 -13.102 -0.479 268 HB3 GLU 450 HB1 GLU 450 -4.815 -14.789 0.003 269 HG2 GLU 450 HG2 GLU 450 -3.760 -15.407 -2.129 270 HG3 GLU 450 HG1 GLU 450 -3.668 -13.702 -2.558 271 H ASP 451 HN ASP 451 -7.704 -12.249 -1.437 272 HA ASP 451 HA ASP 451 -7.491 -11.497 -4.215 273 HB2 ASP 451 HB2 ASP 451 -9.651 -11.264 -3.268 274 HB3 ASP 451 HB1 ASP 451 -9.024 -10.439 -1.845 275 HA PRO 452 HA PRO 452 -4.300 -8.469 -3.269 276 HB2 PRO 452 HB2 PRO 452 -3.349 -8.264 -5.745 277 HB3 PRO 452 HB1 PRO 452 -3.118 -9.748 -4.813 278 HG2 PRO 452 HG2 PRO 452 -4.965 -9.206 -7.075 279 HG3 PRO 452 HG1 PRO 452 -4.179 -10.719 -6.598 280 HD2 PRO 452 HD2 PRO 452 -6.841 -9.882 -6.003 281 HD3 PRO 452 HD1 PRO 452 -6.013 -11.339 -5.424 282 H ARG 453 HN ARG 453 -7.186 -7.823 -3.958 283 HA ARG 453 HA ARG 453 -6.764 -5.344 -5.481 284 HB2 ARG 453 HB2 ARG 453 -9.284 -6.906 -4.974 285 HB3 ARG 453 HB1 ARG 453 -9.291 -5.274 -5.628 286 HG2 ARG 453 HG2 ARG 453 -7.859 -7.614 -6.874 287 HG3 ARG 453 HG1 ARG 453 -9.441 -7.015 -7.370 288 HD2 ARG 453 HD2 ARG 453 -7.723 -6.155 -8.852 289 HD3 ARG 453 HD1 ARG 453 -8.431 -4.839 -7.919 290 HE ARG 453 HE ARG 453 -6.089 -5.820 -6.649 291 HH11 ARG 453 HH11 ARG 453 -7.103 -3.907 -9.401 292 HH12 ARG 453 HH12 ARG 453 -5.670 -2.923 -9.406 293 HH21 ARG 453 HH21 ARG 453 -4.212 -4.531 -6.653 294 HH22 ARG 453 HH22 ARG 453 -4.021 -3.279 -7.844 295 H LEU 454 HN LEU 454 -8.437 -6.533 -2.598 296 HA LEU 454 HA LEU 454 -8.901 -3.892 -1.577 297 HB2 LEU 454 HB2 LEU 454 -9.071 -6.578 -0.213 298 HB3 LEU 454 HB1 LEU 454 -9.656 -5.065 0.455 299 HG LEU 454 HG LEU 454 -10.710 -6.401 -2.041 300 HD11 LEU 454 HD11 LEU 454 -11.304 -7.607 -0.011 301 HD12 LEU 454 HD12 LEU 454 -12.714 -6.805 -0.706 302 HD13 LEU 454 HD13 LEU 454 -11.913 -6.115 0.707 303 HD21 LEU 454 HD21 LEU 454 -12.452 -4.691 -1.969 304 HD22 LEU 454 HD22 LEU 454 -10.855 -3.963 -2.153 305 HD23 LEU 454 HD23 LEU 454 -11.661 -3.935 -0.585 306 H LYS 455 HN LYS 455 -6.116 -5.448 -1.929 307 HA LYS 455 HA LYS 455 -4.834 -4.003 0.218 308 HB2 LYS 455 HB2 LYS 455 -3.531 -5.969 0.988 309 HB3 LYS 455 HB1 LYS 455 -5.243 -6.073 1.371 310 HG2 LYS 455 HG2 LYS 455 -5.611 -7.668 -0.353 311 HG3 LYS 455 HG1 LYS 455 -3.998 -7.410 -1.015 312 HD2 LYS 455 HD2 LYS 455 -4.017 -9.477 0.218 313 HD3 LYS 455 HD1 LYS 455 -3.035 -8.300 1.082 314 HE2 LYS 455 HE2 LYS 455 -5.920 -8.838 1.754 315 HE3 LYS 455 HE1 LYS 455 -4.588 -9.731 2.480 316 HZ1 LYS 455 HZ1 LYS 455 -5.091 -8.019 3.973 317 HZ2 LYS 455 HZ2 LYS 455 -5.223 -6.854 2.752 318 HZ3 LYS 455 HZ3 LYS 455 -3.700 -7.476 3.165 319 H ILE 456 HN ILE 456 -2.468 -4.002 0.002 320 HA ILE 456 HA ILE 456 -1.587 -4.650 -2.731 321 HB ILE 456 HB ILE 456 -0.085 -2.627 -2.598 322 HG12 ILE 456 HG12 ILE 456 -1.950 -1.847 -0.341 323 HG13 ILE 456 HG11 ILE 456 -0.253 -2.272 -0.150 324 HG21 ILE 456 HG21 ILE 456 -2.081 -2.661 -3.978 325 HG22 ILE 456 HG22 ILE 456 -1.831 -1.060 -3.281 326 HG23 ILE 456 HG23 ILE 456 -3.057 -2.134 -2.607 327 HD11 ILE 456 HD11 ILE 456 -0.584 0.137 -0.091 328 HD12 ILE 456 HD12 ILE 456 -1.316 0.083 -1.695 329 HD13 ILE 456 HD13 ILE 456 0.384 -0.335 -1.488 330 HA PRO 457 HA PRO 457 1.382 -6.987 -0.399 331 HB2 PRO 457 HB2 PRO 457 2.740 -7.336 -2.985 332 HB3 PRO 457 HB1 PRO 457 2.012 -8.547 -1.925 333 HG2 PRO 457 HG2 PRO 457 0.905 -7.867 -4.276 334 HG3 PRO 457 HG1 PRO 457 -0.078 -8.308 -2.866 335 HD2 PRO 457 HD2 PRO 457 0.555 -5.591 -3.961 336 HD3 PRO 457 HD1 PRO 457 -0.983 -6.224 -3.334 337 H ALA 458 HN ALA 458 3.022 -6.197 0.735 338 HA ALA 458 HA ALA 458 4.776 -4.926 1.400 339 HB1 ALA 458 HB1 ALA 458 6.693 -4.831 -0.090 340 HB2 ALA 458 HB2 ALA 458 5.674 -5.289 -1.456 341 HB3 ALA 458 HB3 ALA 458 5.949 -6.430 -0.139 342 H1 THR 638 HN THR 638 -16.302 -29.132 -1.361 343 HA THR 638 HA THR 638 -15.780 -26.449 -2.384 344 HB THR 638 HB THR 638 -13.546 -26.425 -1.195 345 HG1 THR 638 HG1 THR 638 -13.082 -28.089 0.013 346 HG21 THR 638 HG21 THR 638 -15.404 -24.987 -0.504 347 HG22 THR 638 HG22 THR 638 -14.469 -25.528 0.891 348 HG23 THR 638 HG23 THR 638 -16.024 -26.277 0.528 349 H ALA 639 HN ALA 639 -14.043 -26.340 -3.848 350 HA ALA 639 HA ALA 639 -13.014 -28.949 -4.737 351 HB1 ALA 639 HB1 ALA 639 -13.855 -26.655 -6.510 352 HB2 ALA 639 HB2 ALA 639 -14.733 -28.168 -6.294 353 HB3 ALA 639 HB3 ALA 639 -13.142 -28.174 -7.054 354 HA PRO 640 HA PRO 640 -9.187 -26.700 -3.956 355 HB2 PRO 640 HB2 PRO 640 -7.563 -28.844 -4.478 356 HB3 PRO 640 HB1 PRO 640 -8.335 -28.558 -2.916 357 HG2 PRO 640 HG2 PRO 640 -9.132 -30.407 -5.115 358 HG3 PRO 640 HG1 PRO 640 -9.197 -30.654 -3.362 359 HD2 PRO 640 HD2 PRO 640 -11.381 -30.039 -4.855 360 HD3 PRO 640 HD1 PRO 640 -11.203 -29.548 -3.158 361 HA PRO 641 HA PRO 641 -8.444 -25.895 -8.265 362 HB2 PRO 641 HB2 PRO 641 -6.735 -23.854 -8.000 363 HB3 PRO 641 HB1 PRO 641 -8.439 -23.695 -7.570 364 HG2 PRO 641 HG2 PRO 641 -6.069 -24.107 -5.795 365 HG3 PRO 641 HG1 PRO 641 -7.483 -23.066 -5.553 366 HD2 PRO 641 HD2 PRO 641 -7.160 -25.566 -4.417 367 HD3 PRO 641 HD1 PRO 641 -8.723 -24.768 -4.668 368 HA PRO 642 HA PRO 642 -4.746 -28.382 -8.913 369 HB2 PRO 642 HB2 PRO 642 -5.425 -28.056 -11.746 370 HB3 PRO 642 HB1 PRO 642 -5.366 -29.528 -10.775 371 HG2 PRO 642 HG2 PRO 642 -7.688 -28.487 -11.658 372 HG3 PRO 642 HG1 PRO 642 -7.562 -29.330 -10.101 373 HD2 PRO 642 HD2 PRO 642 -7.613 -26.385 -10.664 374 HD3 PRO 642 HD1 PRO 642 -8.449 -27.301 -9.392 375 H ALA 643 HN ALA 643 -2.841 -28.188 -10.493 376 HA ALA 643 HA ALA 643 -1.779 -25.545 -10.246 377 HB1 ALA 643 HB1 ALA 643 -0.379 -27.542 -10.012 378 HB2 ALA 643 HB2 ALA 643 0.231 -26.463 -11.266 379 HB3 ALA 643 HB3 ALA 643 -0.647 -27.926 -11.713 380 H TYR 644 HN TYR 644 -0.886 -24.277 -11.963 381 HA TYR 644 HA TYR 644 -2.747 -23.570 -13.905 382 HB2 TYR 644 HB2 TYR 644 -1.057 -22.044 -13.039 383 HB3 TYR 644 HB1 TYR 644 0.218 -22.991 -13.784 384 HD1 TYR 644 HD2 TYR 644 -2.973 -21.355 -14.865 385 HD2 TYR 644 HD1 TYR 644 1.142 -22.069 -15.673 386 HE1 TYR 644 HE2 TYR 644 -3.132 -19.953 -16.879 387 HE2 TYR 644 HE1 TYR 644 0.993 -20.667 -17.688 388 HH TYR 644 HH TYR 644 -0.615 -19.822 -19.238 389 H ALA 645 HN ALA 645 -0.159 -25.875 -14.050 390 HA ALA 645 HA ALA 645 0.222 -26.025 -16.823 391 HB1 ALA 645 HB1 ALA 645 1.780 -26.963 -15.185 392 HB2 ALA 645 HB2 ALA 645 1.305 -28.148 -16.401 393 HB3 ALA 645 HB3 ALA 645 0.598 -28.209 -14.787 394 H THR 646 HN THR 646 -2.213 -27.465 -14.763 395 HA THR 646 HA THR 646 -3.218 -28.977 -17.080 396 HB THR 646 HB THR 646 -2.672 -30.372 -15.123 397 HG1 THR 646 HG1 THR 646 -4.285 -31.312 -16.235 398 HG21 THR 646 HG21 THR 646 -3.085 -28.733 -13.361 399 HG22 THR 646 HG22 THR 646 -4.012 -30.208 -13.074 400 HG23 THR 646 HG23 THR 646 -4.810 -28.772 -13.717 401 H LEU 647 HN LEU 647 -3.665 -26.108 -15.699 402 HA LEU 647 HA LEU 647 -6.570 -26.123 -15.621 403 HB2 LEU 647 HB2 LEU 647 -4.516 -23.982 -15.116 404 HB3 LEU 647 HB1 LEU 647 -6.235 -23.655 -15.138 405 HG LEU 647 HG LEU 647 -4.771 -25.459 -13.224 406 HD11 LEU 647 HD11 LEU 647 -4.482 -23.102 -12.758 407 HD12 LEU 647 HD12 LEU 647 -5.527 -23.845 -11.547 408 HD13 LEU 647 HD13 LEU 647 -6.227 -22.851 -12.827 409 HD21 LEU 647 HD21 LEU 647 -6.944 -25.756 -12.124 410 HD22 LEU 647 HD22 LEU 647 -6.936 -26.419 -13.758 411 HD23 LEU 647 HD23 LEU 647 -7.723 -24.873 -13.439 412 H GLY 648 HN GLY 648 -4.061 -25.455 -17.850 413 HA2 GLY 648 HA2 GLY 648 -5.554 -23.631 -19.496 414 HA3 GLY 648 HA1 GLY 648 -4.038 -24.415 -19.917 Start of MODEL 15 1 H1 GLY 416 HT1 GLY 416 -19.303 -8.707 -6.663 2 H2 GLY 416 HT2 GLY 416 -18.601 -9.891 -7.653 3 H3 GLY 416 HT3 GLY 416 -18.336 -8.250 -7.976 4 HA2 GLY 416 HA1 GLY 416 -17.395 -9.721 -5.574 5 HA3 GLY 416 HA2 GLY 416 -16.394 -9.226 -6.933 6 H SER 417 HN SER 417 -16.188 -8.502 -4.090 7 HA SER 417 HA SER 417 -17.042 -5.745 -3.895 8 HB2 SER 417 HB2 SER 417 -15.291 -7.344 -2.018 9 HB3 SER 417 HB1 SER 417 -16.132 -5.837 -1.654 10 HG SER 417 HG SER 417 -17.947 -6.891 -1.396 11 H MET 418 HN MET 418 -14.930 -6.658 -5.894 12 HA MET 418 HA MET 418 -12.928 -4.632 -5.168 13 HB2 MET 418 HB2 MET 418 -12.211 -7.170 -6.629 14 HB3 MET 418 HB1 MET 418 -11.120 -5.972 -5.951 15 HG2 MET 418 HG2 MET 418 -10.965 -7.723 -4.458 16 HG3 MET 418 HG1 MET 418 -12.134 -6.655 -3.684 17 HE1 MET 418 HE1 MET 418 -13.243 -10.518 -5.957 18 HE2 MET 418 HE2 MET 418 -11.588 -9.956 -5.708 19 HE3 MET 418 HE3 MET 418 -12.677 -9.054 -6.761 20 H GLU 419 HN GLU 419 -13.242 -6.788 -7.915 21 HA GLU 419 HA GLU 419 -14.241 -4.754 -9.705 22 HB2 GLU 419 HB2 GLU 419 -11.420 -5.818 -9.930 23 HB3 GLU 419 HB1 GLU 419 -12.296 -5.223 -11.328 24 HG2 GLU 419 HG2 GLU 419 -11.653 -3.621 -8.862 25 HG3 GLU 419 HG1 GLU 419 -10.772 -3.558 -10.387 26 H GLN 420 HN GLN 420 -14.749 -5.717 -11.838 27 HA GLN 420 HA GLN 420 -15.126 -8.622 -11.566 28 HB2 GLN 420 HB2 GLN 420 -17.172 -7.161 -11.834 29 HB3 GLN 420 HB1 GLN 420 -16.600 -6.779 -13.453 30 HG2 GLN 420 HG2 GLN 420 -18.275 -8.532 -13.512 31 HG3 GLN 420 HG1 GLN 420 -16.711 -9.132 -14.062 32 HE21 GLN 420 HE21 GLN 420 -19.071 -9.200 -11.508 33 HE22 GLN 420 HE22 GLN 420 -18.453 -10.605 -10.707 34 H GLY 421 HN GLY 421 -13.023 -9.096 -12.268 35 HA2 GLY 421 HA2 GLY 421 -12.039 -10.151 -14.197 36 HA3 GLY 421 HA1 GLY 421 -12.729 -8.877 -15.192 37 H PHE 422 HN PHE 422 -11.957 -6.647 -13.655 38 HA PHE 422 HA PHE 422 -9.310 -6.287 -14.560 39 HB2 PHE 422 HB2 PHE 422 -11.103 -4.503 -14.192 40 HB3 PHE 422 HB1 PHE 422 -10.671 -4.572 -12.489 41 HD1 PHE 422 HD1 PHE 422 -8.345 -3.975 -11.795 42 HD2 PHE 422 HD2 PHE 422 -9.786 -3.313 -15.740 43 HE1 PHE 422 HE1 PHE 422 -6.508 -2.390 -12.194 44 HE2 PHE 422 HE2 PHE 422 -7.955 -1.724 -16.146 45 HZ PHE 422 HZ PHE 422 -6.313 -1.266 -14.373 46 H LEU 423 HN LEU 423 -7.663 -7.318 -13.729 47 HA LEU 423 HA LEU 423 -7.266 -7.369 -10.814 48 HB2 LEU 423 HB2 LEU 423 -7.262 -9.642 -12.750 49 HB3 LEU 423 HB1 LEU 423 -6.036 -9.653 -11.506 50 HG LEU 423 HG LEU 423 -7.926 -11.031 -10.874 51 HD11 LEU 423 HD11 LEU 423 -8.407 -10.071 -8.689 52 HD12 LEU 423 HD12 LEU 423 -7.776 -8.513 -9.228 53 HD13 LEU 423 HD13 LEU 423 -6.701 -9.908 -9.106 54 HD21 LEU 423 HD21 LEU 423 -9.565 -8.510 -11.081 55 HD22 LEU 423 HD22 LEU 423 -10.122 -10.043 -10.409 56 HD23 LEU 423 HD23 LEU 423 -9.692 -9.934 -12.116 57 HA PRO 424 HA PRO 424 -3.047 -6.052 -11.726 58 HB2 PRO 424 HB2 PRO 424 -2.090 -8.541 -10.373 59 HB3 PRO 424 HB1 PRO 424 -1.610 -6.860 -10.101 60 HG2 PRO 424 HG2 PRO 424 -3.206 -8.099 -8.373 61 HG3 PRO 424 HG1 PRO 424 -3.478 -6.399 -8.801 62 HD2 PRO 424 HD2 PRO 424 -4.955 -8.836 -9.696 63 HD3 PRO 424 HD1 PRO 424 -5.574 -7.211 -9.337 64 H LYS 425 HN LYS 425 -2.147 -6.285 -13.642 65 HA LYS 425 HA LYS 425 -2.848 -8.432 -15.326 66 HB2 LYS 425 HB2 LYS 425 -0.772 -7.386 -16.704 67 HB3 LYS 425 HB1 LYS 425 -2.391 -6.717 -16.705 68 HG2 LYS 425 HG2 LYS 425 -0.810 -4.943 -16.419 69 HG3 LYS 425 HG1 LYS 425 -1.701 -5.144 -14.915 70 HD2 LYS 425 HD2 LYS 425 0.601 -4.804 -14.365 71 HD3 LYS 425 HD1 LYS 425 0.222 -6.497 -14.057 72 HE2 LYS 425 HE2 LYS 425 1.177 -7.047 -16.293 73 HE3 LYS 425 HE1 LYS 425 1.678 -5.365 -16.444 74 HZ1 LYS 425 HZ1 LYS 425 3.448 -6.872 -15.627 75 HZ2 LYS 425 HZ2 LYS 425 2.527 -7.156 -14.229 76 HZ3 LYS 425 HZ3 LYS 425 3.106 -5.598 -14.560 77 H GLY 426 HN GLY 426 -2.232 -10.407 -14.382 78 HA2 GLY 426 HA2 GLY 426 -0.223 -11.718 -15.630 79 HA3 GLY 426 HA1 GLY 426 0.498 -11.120 -14.128 80 H TRP 427 HN TRP 427 -2.208 -11.110 -12.910 81 HA TRP 427 HA TRP 427 -2.425 -13.870 -12.076 82 HB2 TRP 427 HB2 TRP 427 -3.814 -11.328 -11.191 83 HB3 TRP 427 HB1 TRP 427 -4.145 -12.915 -10.502 84 HD1 TRP 427 HD1 TRP 427 -1.044 -10.605 -10.979 85 HE1 TRP 427 HE1 TRP 427 0.471 -10.893 -8.921 86 HE3 TRP 427 HE3 TRP 427 -3.731 -14.170 -8.484 87 HZ2 TRP 427 HZ2 TRP 427 0.519 -12.422 -6.548 88 HZ3 TRP 427 HZ3 TRP 427 -2.882 -14.990 -6.327 89 HH2 TRP 427 HH2 TRP 427 -0.799 -14.132 -5.379 90 H GLU 428 HN GLU 428 -4.879 -14.634 -11.826 91 HA GLU 428 HA GLU 428 -6.445 -13.826 -14.147 92 HB2 GLU 428 HB2 GLU 428 -4.805 -15.634 -14.831 93 HB3 GLU 428 HB1 GLU 428 -5.672 -16.713 -13.748 94 HG2 GLU 428 HG2 GLU 428 -6.394 -16.992 -16.052 95 HG3 GLU 428 HG1 GLU 428 -7.707 -16.389 -15.037 96 H VAL 429 HN VAL 429 -8.555 -14.290 -14.010 97 HA VAL 429 HA VAL 429 -9.577 -15.308 -11.440 98 HB VAL 429 HB VAL 429 -11.090 -13.944 -13.683 99 HG11 VAL 429 HG11 VAL 429 -12.538 -15.401 -12.388 100 HG12 VAL 429 HG12 VAL 429 -12.900 -13.711 -12.038 101 HG13 VAL 429 HG13 VAL 429 -11.967 -14.669 -10.887 102 HG21 VAL 429 HG21 VAL 429 -10.158 -12.850 -11.032 103 HG22 VAL 429 HG22 VAL 429 -11.157 -11.997 -12.210 104 HG23 VAL 429 HG23 VAL 429 -9.497 -12.440 -12.616 105 H ARG 430 HN ARG 430 -10.404 -17.348 -11.280 106 HA ARG 430 HA ARG 430 -11.392 -18.568 -13.778 107 HB2 ARG 430 HB2 ARG 430 -8.988 -19.278 -12.814 108 HB3 ARG 430 HB1 ARG 430 -9.999 -20.369 -11.878 109 HG2 ARG 430 HG2 ARG 430 -9.223 -21.452 -13.898 110 HG3 ARG 430 HG1 ARG 430 -10.975 -21.234 -13.956 111 HD2 ARG 430 HD2 ARG 430 -10.696 -19.263 -15.358 112 HD3 ARG 430 HD1 ARG 430 -8.944 -19.428 -15.267 113 HE ARG 430 HE ARG 430 -9.986 -21.820 -16.274 114 HH11 ARG 430 HH11 ARG 430 -9.710 -18.461 -17.222 115 HH12 ARG 430 HH12 ARG 430 -9.676 -18.802 -18.926 116 HH21 ARG 430 HH21 ARG 430 -9.946 -22.281 -18.499 117 HH22 ARG 430 HH22 ARG 430 -9.792 -20.993 -19.659 118 H HIS 431 HN HIS 431 -13.055 -20.077 -13.548 119 HA HIS 431 HA HIS 431 -14.545 -19.769 -11.061 120 HB2 HIS 431 HB2 HIS 431 -15.253 -20.603 -13.838 121 HB3 HIS 431 HB1 HIS 431 -16.282 -21.129 -12.509 122 HD1 HIS 431 HD1 HIS 431 -17.583 -19.323 -14.489 123 HD2 HIS 431 HD2 HIS 431 -15.456 -17.872 -11.230 124 HE1 HIS 431 HE1 HIS 431 -18.455 -16.998 -14.097 125 HE2 HIS 431 HE2 HIS 431 -17.034 -16.080 -12.227 126 H ALA 432 HN ALA 432 -15.051 -21.334 -9.676 127 HA ALA 432 HA ALA 432 -13.870 -23.984 -10.113 128 HB1 ALA 432 HB1 ALA 432 -14.128 -24.268 -7.684 129 HB2 ALA 432 HB2 ALA 432 -14.906 -22.688 -7.582 130 HB3 ALA 432 HB3 ALA 432 -13.213 -22.809 -8.059 131 HA PRO 433 HA PRO 433 -17.737 -26.087 -10.628 132 HB2 PRO 433 HB2 PRO 433 -17.176 -27.771 -8.248 133 HB3 PRO 433 HB1 PRO 433 -17.493 -28.250 -9.919 134 HG2 PRO 433 HG2 PRO 433 -15.034 -28.388 -8.908 135 HG3 PRO 433 HG1 PRO 433 -15.305 -27.872 -10.584 136 HD2 PRO 433 HD2 PRO 433 -14.680 -26.221 -8.167 137 HD3 PRO 433 HD1 PRO 433 -14.089 -26.051 -9.833 138 H ASN 434 HN ASN 434 -17.140 -24.360 -7.811 139 HA ASN 434 HA ASN 434 -19.861 -24.817 -6.784 140 HB2 ASN 434 HB2 ASN 434 -17.372 -23.825 -5.389 141 HB3 ASN 434 HB1 ASN 434 -18.979 -23.673 -4.684 142 HD21 ASN 434 HD21 ASN 434 -18.550 -25.001 -2.976 143 HD22 ASN 434 HD22 ASN 434 -18.333 -26.709 -3.133 144 H GLY 435 HN GLY 435 -18.699 -22.991 -8.969 145 HA2 GLY 435 HA2 GLY 435 -19.332 -20.958 -9.849 146 HA3 GLY 435 HA1 GLY 435 -20.471 -20.808 -8.520 147 H ARG 436 HN ARG 436 -17.348 -21.370 -7.412 148 HA ARG 436 HA ARG 436 -17.130 -18.594 -6.556 149 HB2 ARG 436 HB2 ARG 436 -16.910 -20.189 -4.773 150 HB3 ARG 436 HB1 ARG 436 -15.718 -21.116 -5.672 151 HG2 ARG 436 HG2 ARG 436 -14.543 -19.914 -4.007 152 HG3 ARG 436 HG1 ARG 436 -14.209 -19.112 -5.543 153 HD2 ARG 436 HD2 ARG 436 -14.635 -17.344 -4.094 154 HD3 ARG 436 HD1 ARG 436 -16.173 -17.572 -4.922 155 HE ARG 436 HE ARG 436 -16.085 -19.090 -2.522 156 HH11 ARG 436 HH11 ARG 436 -16.505 -15.821 -3.731 157 HH12 ARG 436 HH12 ARG 436 -17.398 -15.285 -2.338 158 HH21 ARG 436 HH21 ARG 436 -17.261 -18.376 -0.680 159 HH22 ARG 436 HH22 ARG 436 -17.826 -16.731 -0.616 160 HA PRO 437 HA PRO 437 -13.935 -18.090 -9.662 161 HB2 PRO 437 HB2 PRO 437 -13.918 -15.294 -8.973 162 HB3 PRO 437 HB1 PRO 437 -14.550 -16.056 -10.433 163 HG2 PRO 437 HG2 PRO 437 -16.106 -14.833 -8.524 164 HG3 PRO 437 HG1 PRO 437 -16.685 -16.086 -9.634 165 HD2 PRO 437 HD2 PRO 437 -15.863 -16.320 -6.769 166 HD3 PRO 437 HD1 PRO 437 -17.179 -17.139 -7.638 167 H PHE 438 HN PHE 438 -12.019 -18.827 -8.927 168 HA PHE 438 HA PHE 438 -10.810 -17.466 -6.637 169 HB2 PHE 438 HB2 PHE 438 -9.222 -19.353 -6.551 170 HB3 PHE 438 HB1 PHE 438 -10.889 -19.883 -6.405 171 HD1 PHE 438 HD2 PHE 438 -11.928 -21.202 -8.154 172 HD2 PHE 438 HD1 PHE 438 -7.888 -19.910 -8.475 173 HE1 PHE 438 HE2 PHE 438 -11.556 -22.823 -9.966 174 HE2 PHE 438 HE1 PHE 438 -7.513 -21.532 -10.282 175 HZ PHE 438 HZ PHE 438 -9.348 -22.990 -11.032 176 H PHE 439 HN PHE 439 -8.379 -17.211 -6.800 177 HA PHE 439 HA PHE 439 -7.878 -15.904 -9.380 178 HB2 PHE 439 HB2 PHE 439 -6.742 -15.235 -6.658 179 HB3 PHE 439 HB1 PHE 439 -6.416 -14.363 -8.153 180 HD1 PHE 439 HD2 PHE 439 -8.120 -12.967 -9.178 181 HD2 PHE 439 HD1 PHE 439 -8.844 -15.005 -5.513 182 HE1 PHE 439 HE2 PHE 439 -10.099 -11.557 -8.786 183 HE2 PHE 439 HE1 PHE 439 -10.822 -13.601 -5.114 184 HZ PHE 439 HZ PHE 439 -11.452 -11.875 -6.752 185 H ILE 440 HN ILE 440 -5.974 -16.129 -10.411 186 HA ILE 440 HA ILE 440 -4.099 -18.175 -9.394 187 HB ILE 440 HB ILE 440 -4.821 -17.805 -12.310 188 HG12 ILE 440 HG12 ILE 440 -5.899 -19.915 -10.427 189 HG13 ILE 440 HG11 ILE 440 -6.821 -18.542 -11.033 190 HG21 ILE 440 HG21 ILE 440 -2.658 -18.838 -11.866 191 HG22 ILE 440 HG22 ILE 440 -3.779 -20.005 -12.573 192 HG23 ILE 440 HG23 ILE 440 -3.437 -20.045 -10.844 193 HD11 ILE 440 HD11 ILE 440 -7.340 -20.562 -12.268 194 HD12 ILE 440 HD12 ILE 440 -5.640 -20.752 -12.698 195 HD13 ILE 440 HD13 ILE 440 -6.557 -19.375 -13.311 196 H ASP 441 HN ASP 441 -1.931 -17.878 -10.047 197 HA ASP 441 HA ASP 441 -1.272 -15.247 -11.232 198 HB2 ASP 441 HB2 ASP 441 -0.276 -15.364 -9.072 199 HB3 ASP 441 HB1 ASP 441 0.192 -17.049 -9.291 200 H HIS 442 HN HIS 442 -0.088 -15.294 -13.314 201 HA HIS 442 HA HIS 442 -0.023 -17.928 -14.479 202 HB2 HIS 442 HB2 HIS 442 0.938 -15.282 -15.588 203 HB3 HIS 442 HB1 HIS 442 0.723 -16.767 -16.499 204 HD1 HIS 442 HD1 HIS 442 -0.657 -13.966 -17.056 205 HD2 HIS 442 HD2 HIS 442 -2.432 -17.239 -15.202 206 HE1 HIS 442 HE1 HIS 442 -3.127 -13.692 -17.421 207 HE2 HIS 442 HE2 HIS 442 -4.164 -15.771 -16.463 208 H ASN 443 HN ASN 443 2.152 -15.789 -12.881 209 HA ASN 443 HA ASN 443 4.559 -16.376 -14.198 210 HB2 ASN 443 HB2 ASN 443 4.139 -15.533 -11.323 211 HB3 ASN 443 HB1 ASN 443 5.675 -15.493 -12.177 212 HD21 ASN 443 HD21 ASN 443 2.629 -13.954 -11.662 213 HD22 ASN 443 HD22 ASN 443 2.950 -12.548 -12.643 214 H THR 444 HN THR 444 3.342 -17.678 -11.109 215 HA THR 444 HA THR 444 5.312 -19.852 -11.385 216 HB THR 444 HB THR 444 5.553 -18.438 -9.387 217 HG1 THR 444 HG1 THR 444 5.272 -20.280 -7.808 218 HG21 THR 444 HG21 THR 444 3.889 -18.514 -7.596 219 HG22 THR 444 HG22 THR 444 2.819 -19.461 -8.630 220 HG23 THR 444 HG23 THR 444 3.227 -17.802 -9.067 221 H LYS 445 HN LYS 445 2.278 -19.378 -12.229 222 HA LYS 445 HA LYS 445 0.459 -20.687 -12.646 223 HB2 LYS 445 HB2 LYS 445 2.566 -22.788 -12.189 224 HB3 LYS 445 HB1 LYS 445 0.897 -23.240 -12.503 225 HG2 LYS 445 HG2 LYS 445 2.158 -23.338 -14.543 226 HG3 LYS 445 HG1 LYS 445 0.995 -22.019 -14.640 227 HD2 LYS 445 HD2 LYS 445 2.772 -20.422 -14.099 228 HD3 LYS 445 HD1 LYS 445 3.933 -21.746 -14.004 229 HE2 LYS 445 HE2 LYS 445 2.336 -21.025 -16.456 230 HE3 LYS 445 HE1 LYS 445 3.997 -20.519 -16.156 231 HZ1 LYS 445 HZ1 LYS 445 3.087 -23.344 -16.354 232 HZ2 LYS 445 HZ2 LYS 445 4.679 -22.823 -16.133 233 HZ3 LYS 445 HZ3 LYS 445 3.872 -22.486 -17.585 234 H THR 446 HN THR 446 0.911 -19.666 -10.018 235 HA THR 446 HA THR 446 -0.027 -21.733 -8.197 236 HB THR 446 HB THR 446 1.340 -19.140 -7.960 237 HG1 THR 446 HG1 THR 446 2.209 -20.373 -6.099 238 HG21 THR 446 HG21 THR 446 -0.598 -20.011 -5.816 239 HG22 THR 446 HG22 THR 446 -0.655 -18.516 -6.753 240 HG23 THR 446 HG23 THR 446 0.661 -18.795 -5.613 241 H THR 447 HN THR 447 -1.976 -21.744 -7.192 242 HA THR 447 HA THR 447 -3.960 -19.770 -8.089 243 HB THR 447 HB THR 447 -5.622 -21.587 -7.379 244 HG1 THR 447 HG1 THR 447 -4.556 -23.750 -7.556 245 HG21 THR 447 HG21 THR 447 -5.143 -21.088 -9.730 246 HG22 THR 447 HG22 THR 447 -5.385 -22.819 -9.492 247 HG23 THR 447 HG23 THR 447 -3.754 -22.174 -9.686 248 H THR 448 HN THR 448 -5.337 -18.824 -6.534 249 HA THR 448 HA THR 448 -4.843 -19.487 -3.731 250 HB THR 448 HB THR 448 -3.197 -17.718 -4.363 251 HG1 THR 448 HG1 THR 448 -3.530 -16.597 -2.492 252 HG21 THR 448 HG21 THR 448 -4.007 -15.431 -4.718 253 HG22 THR 448 HG22 THR 448 -5.668 -16.023 -4.739 254 HG23 THR 448 HG23 THR 448 -4.542 -16.512 -6.006 255 H TRP 449 HN TRP 449 -6.350 -18.313 -2.272 256 HA TRP 449 HA TRP 449 -8.963 -18.073 -3.588 257 HB2 TRP 449 HB2 TRP 449 -8.229 -18.869 -0.770 258 HB3 TRP 449 HB1 TRP 449 -9.883 -18.549 -1.285 259 HD1 TRP 449 HD1 TRP 449 -7.290 -21.248 -1.232 260 HE1 TRP 449 HE1 TRP 449 -8.176 -23.344 -2.445 261 HE3 TRP 449 HE3 TRP 449 -11.455 -19.230 -3.407 262 HZ2 TRP 449 HZ2 TRP 449 -10.347 -24.042 -4.104 263 HZ3 TRP 449 HZ3 TRP 449 -12.881 -20.682 -4.794 264 HH2 TRP 449 HH2 TRP 449 -12.337 -23.035 -5.133 265 H GLU 450 HN GLU 450 -6.582 -16.179 -2.354 266 HA GLU 450 HA GLU 450 -8.424 -14.175 -1.265 267 HB2 GLU 450 HB2 GLU 450 -6.334 -13.062 -0.451 268 HB3 GLU 450 HB1 GLU 450 -6.633 -14.647 0.245 269 HG2 GLU 450 HG2 GLU 450 -5.072 -15.527 -1.582 270 HG3 GLU 450 HG1 GLU 450 -4.585 -13.842 -1.776 271 H ASP 451 HN ASP 451 -7.892 -11.850 -1.933 272 HA ASP 451 HA ASP 451 -7.376 -11.895 -4.824 273 HB2 ASP 451 HB2 ASP 451 -9.650 -11.439 -4.693 274 HB3 ASP 451 HB1 ASP 451 -9.482 -10.526 -3.197 275 HA PRO 452 HA PRO 452 -4.163 -9.003 -3.844 276 HB2 PRO 452 HB2 PRO 452 -3.411 -8.413 -6.372 277 HB3 PRO 452 HB1 PRO 452 -3.036 -9.957 -5.598 278 HG2 PRO 452 HG2 PRO 452 -5.175 -9.292 -7.571 279 HG3 PRO 452 HG1 PRO 452 -4.159 -10.740 -7.460 280 HD2 PRO 452 HD2 PRO 452 -6.751 -10.605 -6.564 281 HD3 PRO 452 HD1 PRO 452 -5.538 -11.734 -5.931 282 H ARG 453 HN ARG 453 -7.109 -8.139 -5.337 283 HA ARG 453 HA ARG 453 -6.454 -5.346 -5.683 284 HB2 ARG 453 HB2 ARG 453 -9.139 -6.743 -5.588 285 HB3 ARG 453 HB1 ARG 453 -8.895 -5.060 -6.030 286 HG2 ARG 453 HG2 ARG 453 -7.398 -7.119 -7.553 287 HG3 ARG 453 HG1 ARG 453 -9.134 -6.977 -7.830 288 HD2 ARG 453 HD2 ARG 453 -7.856 -5.612 -9.407 289 HD3 ARG 453 HD1 ARG 453 -8.878 -4.623 -8.369 290 HE ARG 453 HE ARG 453 -6.283 -4.829 -7.269 291 HH11 ARG 453 HH11 ARG 453 -8.041 -3.307 -9.882 292 HH12 ARG 453 HH12 ARG 453 -6.965 -1.944 -9.992 293 HH21 ARG 453 HH21 ARG 453 -4.866 -3.047 -7.400 294 HH22 ARG 453 HH22 ARG 453 -5.160 -1.804 -8.582 295 H LEU 454 HN LEU 454 -8.369 -7.218 -3.355 296 HA LEU 454 HA LEU 454 -8.826 -4.889 -1.708 297 HB2 LEU 454 HB2 LEU 454 -10.000 -6.468 -0.191 298 HB3 LEU 454 HB1 LEU 454 -10.621 -6.426 -1.825 299 HG LEU 454 HG LEU 454 -9.207 -8.542 -2.221 300 HD11 LEU 454 HD11 LEU 454 -9.294 -8.564 0.791 301 HD12 LEU 454 HD12 LEU 454 -7.843 -8.430 -0.205 302 HD13 LEU 454 HD13 LEU 454 -8.805 -9.911 -0.234 303 HD21 LEU 454 HD21 LEU 454 -11.633 -8.524 -2.134 304 HD22 LEU 454 HD22 LEU 454 -11.586 -8.597 -0.374 305 HD23 LEU 454 HD23 LEU 454 -10.998 -9.958 -1.327 306 H LYS 455 HN LYS 455 -6.149 -6.761 -2.027 307 HA LYS 455 HA LYS 455 -5.172 -5.929 0.559 308 HB2 LYS 455 HB2 LYS 455 -4.421 -8.037 1.355 309 HB3 LYS 455 HB1 LYS 455 -6.108 -8.267 0.923 310 HG2 LYS 455 HG2 LYS 455 -5.563 -9.507 -0.991 311 HG3 LYS 455 HG1 LYS 455 -3.888 -8.952 -0.975 312 HD2 LYS 455 HD2 LYS 455 -3.978 -11.239 -0.221 313 HD3 LYS 455 HD1 LYS 455 -3.535 -10.199 1.131 314 HE2 LYS 455 HE2 LYS 455 -5.866 -10.260 1.913 315 HE3 LYS 455 HE1 LYS 455 -6.277 -11.327 0.572 316 HZ1 LYS 455 HZ1 LYS 455 -4.492 -11.904 2.872 317 HZ2 LYS 455 HZ2 LYS 455 -4.539 -12.876 1.485 318 HZ3 LYS 455 HZ3 LYS 455 -5.929 -12.700 2.443 319 H ILE 456 HN ILE 456 -2.753 -6.427 0.703 320 HA ILE 456 HA ILE 456 -1.579 -6.581 -1.978 321 HB ILE 456 HB ILE 456 0.220 -4.970 -1.100 322 HG12 ILE 456 HG12 ILE 456 -2.041 -4.287 0.792 323 HG13 ILE 456 HG11 ILE 456 -0.465 -4.927 1.248 324 HG21 ILE 456 HG21 ILE 456 -1.299 -4.408 -2.897 325 HG22 ILE 456 HG22 ILE 456 -1.073 -3.013 -1.844 326 HG23 ILE 456 HG23 ILE 456 -2.551 -3.969 -1.734 327 HD11 ILE 456 HD11 ILE 456 -0.616 -2.538 1.662 328 HD12 ILE 456 HD12 ILE 456 -0.976 -2.256 -0.041 329 HD13 ILE 456 HD13 ILE 456 0.600 -2.891 0.436 330 HA PRO 457 HA PRO 457 0.545 -10.020 -0.225 331 HB2 PRO 457 HB2 PRO 457 2.596 -9.999 -2.110 332 HB3 PRO 457 HB1 PRO 457 1.049 -10.836 -2.271 333 HG2 PRO 457 HG2 PRO 457 1.897 -8.194 -3.365 334 HG3 PRO 457 HG1 PRO 457 0.872 -9.442 -4.099 335 HD2 PRO 457 HD2 PRO 457 -0.183 -7.216 -3.055 336 HD3 PRO 457 HD1 PRO 457 -1.001 -8.786 -2.902 337 H ALA 458 HN ALA 458 2.411 -10.521 0.883 338 HA ALA 458 HA ALA 458 4.509 -8.546 1.177 339 HB1 ALA 458 HB1 ALA 458 2.808 -7.714 2.731 340 HB2 ALA 458 HB2 ALA 458 4.233 -8.299 3.589 341 HB3 ALA 458 HB3 ALA 458 2.773 -9.284 3.534 342 H1 THR 638 HN THR 638 -10.370 -25.253 2.487 343 HA THR 638 HA THR 638 -8.842 -27.726 2.584 344 HB THR 638 HB THR 638 -11.254 -28.662 2.969 345 HG1 THR 638 HG1 THR 638 -12.791 -27.215 3.239 346 HG21 THR 638 HG21 THR 638 -11.084 -28.127 5.362 347 HG22 THR 638 HG22 THR 638 -9.898 -26.874 4.996 348 HG23 THR 638 HG23 THR 638 -9.514 -28.568 4.688 349 H ALA 639 HN ALA 639 -10.388 -25.877 0.276 350 HA ALA 639 HA ALA 639 -10.771 -28.207 -1.486 351 HB1 ALA 639 HB1 ALA 639 -11.926 -25.427 -1.735 352 HB2 ALA 639 HB2 ALA 639 -12.790 -26.859 -1.179 353 HB3 ALA 639 HB3 ALA 639 -12.214 -26.769 -2.842 354 HA PRO 640 HA PRO 640 -7.134 -26.380 -3.366 355 HB2 PRO 640 HB2 PRO 640 -6.557 -28.847 -4.640 356 HB3 PRO 640 HB1 PRO 640 -5.829 -28.214 -3.165 357 HG2 PRO 640 HG2 PRO 640 -7.469 -30.463 -3.338 358 HG3 PRO 640 HG1 PRO 640 -7.066 -29.588 -1.854 359 HD2 PRO 640 HD2 PRO 640 -9.525 -29.439 -3.541 360 HD3 PRO 640 HD1 PRO 640 -9.350 -29.295 -1.777 361 HA PRO 641 HA PRO 641 -8.860 -25.989 -7.496 362 HB2 PRO 641 HB2 PRO 641 -7.527 -23.669 -8.060 363 HB3 PRO 641 HB1 PRO 641 -9.014 -23.740 -7.116 364 HG2 PRO 641 HG2 PRO 641 -6.328 -23.091 -6.233 365 HG3 PRO 641 HG1 PRO 641 -7.855 -22.940 -5.352 366 HD2 PRO 641 HD2 PRO 641 -5.821 -25.030 -5.190 367 HD3 PRO 641 HD1 PRO 641 -7.180 -24.700 -4.099 368 HA PRO 642 HA PRO 642 -5.659 -27.994 -9.840 369 HB2 PRO 642 HB2 PRO 642 -6.918 -26.603 -12.147 370 HB3 PRO 642 HB1 PRO 642 -6.576 -28.322 -11.919 371 HG2 PRO 642 HG2 PRO 642 -9.062 -27.389 -11.715 372 HG3 PRO 642 HG1 PRO 642 -8.478 -28.663 -10.629 373 HD2 PRO 642 HD2 PRO 642 -8.878 -25.752 -10.100 374 HD3 PRO 642 HD1 PRO 642 -9.154 -27.144 -9.032 375 H ALA 643 HN ALA 643 -3.639 -27.448 -10.392 376 HA ALA 643 HA ALA 643 -2.768 -24.761 -10.201 377 HB1 ALA 643 HB1 ALA 643 -0.570 -25.621 -10.819 378 HB2 ALA 643 HB2 ALA 643 -1.295 -27.154 -11.305 379 HB3 ALA 643 HB3 ALA 643 -1.331 -26.657 -9.612 380 H TYR 644 HN TYR 644 -1.951 -23.365 -11.804 381 HA TYR 644 HA TYR 644 -3.453 -23.312 -14.186 382 HB2 TYR 644 HB2 TYR 644 -2.365 -21.346 -12.952 383 HB3 TYR 644 HB1 TYR 644 -0.877 -21.793 -13.783 384 HD1 TYR 644 HD2 TYR 644 -4.399 -20.774 -14.354 385 HD2 TYR 644 HD1 TYR 644 -0.486 -21.076 -15.997 386 HE1 TYR 644 HE2 TYR 644 -5.127 -19.478 -16.309 387 HE2 TYR 644 HE1 TYR 644 -1.204 -19.777 -17.959 388 HH TYR 644 HH TYR 644 -3.464 -19.341 -19.157 389 H ALA 645 HN ALA 645 -0.644 -25.003 -13.383 390 HA ALA 645 HA ALA 645 0.703 -25.182 -15.832 391 HB1 ALA 645 HB1 ALA 645 1.646 -25.952 -13.707 392 HB2 ALA 645 HB2 ALA 645 1.688 -27.224 -14.928 393 HB3 ALA 645 HB3 ALA 645 0.466 -27.261 -13.656 394 H THR 646 HN THR 646 -2.070 -26.956 -14.540 395 HA THR 646 HA THR 646 -2.192 -28.560 -16.983 396 HB THR 646 HB THR 646 -2.450 -29.687 -14.765 397 HG1 THR 646 HG1 THR 646 -4.894 -29.919 -16.195 398 HG21 THR 646 HG21 THR 646 -4.570 -29.475 -13.561 399 HG22 THR 646 HG22 THR 646 -5.075 -28.196 -14.665 400 HG23 THR 646 HG23 THR 646 -3.700 -27.942 -13.591 401 H LEU 647 HN LEU 647 -3.412 -25.702 -15.724 402 HA LEU 647 HA LEU 647 -5.981 -25.823 -17.049 403 HB2 LEU 647 HB2 LEU 647 -4.574 -23.552 -15.643 404 HB3 LEU 647 HB1 LEU 647 -6.204 -23.472 -16.282 405 HG LEU 647 HG LEU 647 -5.272 -25.285 -14.055 406 HD11 LEU 647 HD11 LEU 647 -7.031 -22.837 -14.022 407 HD12 LEU 647 HD12 LEU 647 -5.389 -22.945 -13.388 408 HD13 LEU 647 HD13 LEU 647 -6.686 -23.877 -12.641 409 HD21 LEU 647 HD21 LEU 647 -7.649 -25.826 -13.792 410 HD22 LEU 647 HD22 LEU 647 -7.040 -26.325 -15.372 411 HD23 LEU 647 HD23 LEU 647 -8.023 -24.867 -15.225 412 H GLY 648 HN GLY 648 -2.883 -24.168 -17.484 413 HA2 GLY 648 HA2 GLY 648 -3.804 -23.323 -20.162 414 HA3 GLY 648 HA1 GLY 648 -2.605 -22.457 -19.212
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