NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24552 | 2k3c | 15747 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA LYS 337 HA LYS 337 36.564 8.034 -4.670 2 H1 LYS 337 HN LYS 337 35.795 9.755 -6.797 3 HB2 LYS 337 HB2 LYS 337 37.086 9.582 -2.939 4 HB3 LYS 337 HB1 LYS 337 38.104 10.015 -4.309 5 HG2 LYS 337 HG2 LYS 337 35.559 11.399 -3.406 6 HG3 LYS 337 HG1 LYS 337 37.189 12.058 -3.419 7 HD2 LYS 337 HD2 LYS 337 37.159 11.655 -5.959 8 HD3 LYS 337 HD1 LYS 337 35.415 11.440 -5.781 9 HE2 LYS 337 HE2 LYS 337 35.333 13.696 -6.041 10 HE3 LYS 337 HE1 LYS 337 35.822 13.736 -4.347 11 HZ1 LYS 337 HZ1 LYS 337 38.095 13.362 -5.958 12 HZ2 LYS 337 HZ2 LYS 337 37.726 14.664 -4.931 13 HZ3 LYS 337 HZ3 LYS 337 37.225 14.690 -6.554 14 H SER 338 HN SER 338 34.271 8.926 -6.439 15 HA SER 338 HA SER 338 32.282 9.419 -4.300 16 HG SER 338 HG SER 338 30.691 11.710 -5.599 17 HB2 SER 338 HB2 SER 338 32.614 11.160 -6.185 18 HB3 SER 338 HB1 SER 338 31.802 9.983 -7.213 19 H TYR 339 HN TYR 339 32.695 6.924 -4.214 20 HA TYR 339 HA TYR 339 30.368 5.636 -5.012 21 HD1 TYR 339 HD1 TYR 339 34.031 5.456 -5.405 22 HD2 TYR 339 HD2 TYR 339 32.052 6.142 -9.155 23 HE1 TYR 339 HE1 TYR 339 36.103 6.432 -6.310 24 HE2 TYR 339 HE2 TYR 339 34.138 7.124 -10.067 25 HH TYR 339 HH TYR 339 37.156 6.854 -8.451 26 HB2 TYR 339 HB2 TYR 339 31.645 4.066 -6.769 27 HB3 TYR 339 HB1 TYR 339 30.787 5.520 -7.250 28 H MET 340 HN MET 340 32.975 3.569 -5.749 29 HA MET 340 HA MET 340 32.583 1.944 -3.475 30 HB2 MET 340 HB2 MET 340 34.724 0.846 -4.253 31 HB3 MET 340 HB1 MET 340 33.455 0.953 -5.473 32 HG2 MET 340 HG2 MET 340 35.278 3.280 -5.345 33 HG3 MET 340 HG1 MET 340 36.017 1.775 -5.892 34 HE1 MET 340 HE1 MET 340 35.171 4.287 -8.778 35 HE2 MET 340 HE2 MET 340 36.256 2.899 -8.755 36 HE3 MET 340 HE3 MET 340 36.206 3.992 -7.374 37 H ALA 341 HN ALA 341 34.022 4.904 -3.686 38 HA ALA 341 HA ALA 341 36.126 4.395 -1.721 39 HB1 ALA 341 HB1 ALA 341 36.759 6.704 -2.102 40 HB2 ALA 341 HB2 ALA 341 35.277 6.993 -3.015 41 HB3 ALA 341 HB3 ALA 341 36.515 5.915 -3.660 42 H TYR 342 HN TYR 342 32.934 5.817 -1.972 43 HA TYR 342 HA TYR 342 33.124 6.843 0.769 44 HD1 TYR 342 HD2 TYR 342 29.433 7.264 1.100 45 HD2 TYR 342 HD1 TYR 342 30.755 6.642 -2.938 46 HE1 TYR 342 HE2 TYR 342 27.207 6.344 0.512 47 HE2 TYR 342 HE1 TYR 342 28.532 5.720 -3.526 48 HH TYR 342 HH TYR 342 26.435 4.564 -1.532 49 HB2 TYR 342 HB2 TYR 342 31.490 8.329 0.224 50 HB3 TYR 342 HB1 TYR 342 32.050 7.987 -1.416 51 H LEU 343 HN LEU 343 31.038 4.675 -1.176 52 HA LEU 343 HA LEU 343 29.360 3.910 0.949 53 HG LEU 343 HG LEU 343 31.362 2.093 -1.413 54 HB2 LEU 343 HB2 LEU 343 28.537 2.212 -0.459 55 HB3 LEU 343 HB1 LEU 343 29.049 3.481 -1.565 56 HD11 LEU 343 HD11 LEU 343 31.115 -0.173 -1.041 57 HD12 LEU 343 HD12 LEU 343 29.427 -0.179 -1.546 58 HD13 LEU 343 HD13 LEU 343 29.863 0.403 0.057 59 HD21 LEU 343 HD21 LEU 343 28.942 1.640 -3.170 60 HD22 LEU 343 HD22 LEU 343 30.504 0.894 -3.503 61 HD23 LEU 343 HD23 LEU 343 30.346 2.648 -3.503 62 H SER 344 HN SER 344 32.618 3.129 0.257 63 HA SER 344 HA SER 344 32.622 0.682 1.837 64 HG SER 344 HG SER 344 35.336 -0.309 1.274 65 HB2 SER 344 HB2 SER 344 34.120 0.742 -0.054 66 HB3 SER 344 HB1 SER 344 34.826 2.260 0.491 67 H ALA 345 HN ALA 345 32.416 3.854 2.553 68 HA ALA 345 HA ALA 345 33.976 3.580 5.054 69 HB1 ALA 345 HB1 ALA 345 34.946 5.298 3.621 70 HB2 ALA 345 HB2 ALA 345 34.177 6.053 5.017 71 HB3 ALA 345 HB3 ALA 345 33.372 6.074 3.448 72 H GLU 346 HN GLU 346 31.096 2.945 4.302 73 HA GLU 346 HA GLU 346 29.911 4.148 6.667 74 HB2 GLU 346 HB2 GLU 346 27.904 4.930 5.355 75 HB3 GLU 346 HB1 GLU 346 29.370 5.877 5.091 76 HG2 GLU 346 HG2 GLU 346 29.414 5.339 2.906 77 HG3 GLU 346 HG1 GLU 346 29.254 3.622 3.272 78 H LEU 347 HN LEU 347 30.519 1.549 6.397 79 HA LEU 347 HA LEU 347 27.893 0.264 5.941 80 HG LEU 347 HG LEU 347 31.343 -0.362 6.299 81 HB2 LEU 347 HB2 LEU 347 29.018 -1.722 5.132 82 HB3 LEU 347 HB1 LEU 347 29.562 -0.339 4.182 83 HD11 LEU 347 HD11 LEU 347 30.477 -2.563 7.020 84 HD12 LEU 347 HD12 LEU 347 32.140 -2.691 6.447 85 HD13 LEU 347 HD13 LEU 347 30.809 -3.216 5.416 86 HD21 LEU 347 HD21 LEU 347 32.889 -1.419 4.553 87 HD22 LEU 347 HD22 LEU 347 32.045 0.045 4.049 88 HD23 LEU 347 HD23 LEU 347 31.471 -1.534 3.511 89 H PHE 348 HN PHE 348 30.280 1.064 8.113 90 HA PHE 348 HA PHE 348 29.390 -1.037 9.996 91 HD1 PHE 348 HD1 PHE 348 31.595 1.982 9.288 92 HD2 PHE 348 HD2 PHE 348 33.339 -1.834 8.376 93 HE1 PHE 348 HE1 PHE 348 33.024 3.051 7.579 94 HE2 PHE 348 HE2 PHE 348 34.776 -0.764 6.662 95 HZ PHE 348 HZ PHE 348 34.620 1.678 6.262 96 HB2 PHE 348 HB2 PHE 348 31.830 -0.352 10.975 97 HB3 PHE 348 HB1 PHE 348 31.558 -1.719 9.895 98 H HIS 349 HN HIS 349 29.444 2.188 9.232 99 HA HIS 349 HA HIS 349 29.940 3.462 11.682 100 HD2 HIS 349 HD2 HIS 349 28.024 2.370 8.170 101 HE1 HIS 349 HE1 HIS 349 24.933 5.228 7.875 102 HE2 HIS 349 HE2 HIS 349 25.768 2.989 7.016 103 HB2 HIS 349 HB2 HIS 349 28.715 5.360 10.740 104 HB3 HIS 349 HB1 HIS 349 29.799 4.662 9.538 105 H LEU 350 HN LEU 350 27.467 1.347 10.819 106 HA LEU 350 HA LEU 350 25.839 2.223 13.129 107 HG LEU 350 HG LEU 350 25.556 3.506 10.455 108 HB2 LEU 350 HB2 LEU 350 24.826 1.118 10.499 109 HB3 LEU 350 HB1 LEU 350 23.828 1.480 11.905 110 HD11 LEU 350 HD11 LEU 350 23.766 2.883 8.979 111 HD12 LEU 350 HD12 LEU 350 23.298 4.410 9.727 112 HD13 LEU 350 HD13 LEU 350 22.594 2.897 10.297 113 HD21 LEU 350 HD21 LEU 350 23.771 3.580 12.862 114 HD22 LEU 350 HD22 LEU 350 23.796 4.989 11.804 115 HD23 LEU 350 HD23 LEU 350 25.285 4.431 12.563 116 H SER 351 HN SER 351 27.936 0.343 13.246 117 HA SER 351 HA SER 351 27.474 -2.305 12.863 118 HG SER 351 HG SER 351 29.501 -3.150 15.570 119 HB2 SER 351 HB2 SER 351 29.497 -1.732 13.933 120 HB3 SER 351 HB1 SER 351 28.669 -0.874 15.229 121 H GLY 352 HN GLY 352 25.427 -3.097 12.959 122 HA2 GLY 352 HA2 GLY 352 24.250 -4.349 14.926 123 HA3 GLY 352 HA1 GLY 352 23.854 -2.701 15.411 124 H ILE 353 HN ILE 353 23.430 -1.530 12.944 125 HA ILE 353 HA ILE 353 20.888 -2.775 12.168 126 HB ILE 353 HB ILE 353 22.033 -0.016 11.706 127 HG12 ILE 353 HG12 ILE 353 19.442 -0.296 13.029 128 HG13 ILE 353 HG11 ILE 353 20.727 -1.134 13.900 129 HG21 ILE 353 HG21 ILE 353 20.711 -0.132 9.838 130 HG22 ILE 353 HG22 ILE 353 19.426 0.181 11.005 131 HG23 ILE 353 HG23 ILE 353 19.753 -1.469 10.474 132 HD11 ILE 353 HD11 ILE 353 20.817 1.758 12.992 133 HD12 ILE 353 HD12 ILE 353 22.096 0.916 13.868 134 HD13 ILE 353 HD13 ILE 353 20.541 1.212 14.646 135 H MET 354 HN MET 354 23.949 -1.649 10.871 136 HA MET 354 HA MET 354 23.371 -2.144 8.133 137 HB2 MET 354 HB2 MET 354 25.747 -1.783 7.771 138 HB3 MET 354 HB1 MET 354 25.131 -0.579 8.905 139 HG2 MET 354 HG2 MET 354 27.047 -1.287 10.019 140 HG3 MET 354 HG1 MET 354 25.839 -2.369 10.713 141 HE1 MET 354 HE1 MET 354 27.465 -4.192 11.464 142 HE2 MET 354 HE2 MET 354 28.724 -3.044 11.017 143 HE3 MET 354 HE3 MET 354 28.853 -4.725 10.506 144 H ALA 355 HN ALA 355 24.480 -4.113 10.758 145 HA ALA 355 HA ALA 355 25.587 -6.206 9.126 146 HB1 ALA 355 HB1 ALA 355 26.482 -6.673 11.129 147 HB2 ALA 355 HB2 ALA 355 24.901 -7.274 11.628 148 HB3 ALA 355 HB3 ALA 355 25.347 -5.596 11.943 149 H LEU 356 HN LEU 356 22.475 -5.182 9.898 150 HA LEU 356 HA LEU 356 21.340 -7.810 9.149 151 HG LEU 356 HG LEU 356 21.227 -4.916 11.310 152 HB2 LEU 356 HB2 LEU 356 19.327 -6.296 10.393 153 HB3 LEU 356 HB1 LEU 356 20.132 -7.726 11.035 154 HD11 LEU 356 HD11 LEU 356 20.405 -5.872 13.817 155 HD12 LEU 356 HD12 LEU 356 19.078 -6.274 12.728 156 HD13 LEU 356 HD13 LEU 356 19.623 -4.604 12.873 157 HD21 LEU 356 HD21 LEU 356 22.032 -6.782 13.343 158 HD22 LEU 356 HD22 LEU 356 23.041 -5.953 12.160 159 HD23 LEU 356 HD23 LEU 356 22.324 -7.513 11.765 160 H ILE 357 HN ILE 357 21.665 -4.488 8.432 161 HA ILE 357 HA ILE 357 19.473 -3.536 7.233 162 HB ILE 357 HB ILE 357 22.326 -3.426 6.524 163 HG12 ILE 357 HG12 ILE 357 20.093 -1.367 6.486 164 HG13 ILE 357 HG11 ILE 357 21.070 -1.754 7.899 165 HG21 ILE 357 HG21 ILE 357 20.203 -2.888 4.416 166 HG22 ILE 357 HG22 ILE 357 21.580 -3.990 4.287 167 HG23 ILE 357 HG23 ILE 357 21.843 -2.256 4.331 168 HD11 ILE 357 HD11 ILE 357 21.708 -0.036 5.637 169 HD12 ILE 357 HD12 ILE 357 22.946 -1.266 5.885 170 HD13 ILE 357 HD13 ILE 357 22.515 -0.171 7.199 171 H ALA 358 HN ALA 358 21.487 -6.095 5.840 172 HA ALA 358 HA ALA 358 19.580 -6.495 3.661 173 HB1 ALA 358 HB1 ALA 358 21.902 -8.314 4.084 174 HB2 ALA 358 HB2 ALA 358 22.239 -6.643 3.630 175 HB3 ALA 358 HB3 ALA 358 21.244 -7.657 2.585 176 H SER 359 HN SER 359 20.576 -7.971 6.671 177 HA SER 359 HA SER 359 19.142 -10.440 6.181 178 HG SER 359 HG SER 359 21.152 -11.838 8.173 179 HB2 SER 359 HB2 SER 359 21.215 -9.759 7.838 180 HB3 SER 359 HB1 SER 359 19.856 -9.788 8.958 181 H GLY 360 HN GLY 360 18.129 -7.389 6.784 182 HA2 GLY 360 HA2 GLY 360 15.652 -8.355 8.058 183 HA3 GLY 360 HA1 GLY 360 16.466 -6.939 8.715 184 H VAL 361 HN VAL 361 15.886 -7.978 5.357 185 HA VAL 361 HA VAL 361 13.871 -6.029 4.849 186 HB VAL 361 HB VAL 361 16.130 -4.720 5.047 187 HG11 VAL 361 HG11 VAL 361 17.547 -4.757 3.171 188 HG12 VAL 361 HG12 VAL 361 16.334 -5.532 2.153 189 HG13 VAL 361 HG13 VAL 361 17.162 -6.462 3.402 190 HG21 VAL 361 HG21 VAL 361 15.321 -3.464 2.818 191 HG22 VAL 361 HG22 VAL 361 14.388 -3.397 4.313 192 HG23 VAL 361 HG23 VAL 361 13.930 -4.526 3.038 193 H VAL 362 HN VAL 362 15.210 -8.847 4.278 194 HA VAL 362 HA VAL 362 15.012 -8.914 1.370 195 HB VAL 362 HB VAL 362 16.762 -10.266 2.190 196 HG11 VAL 362 HG11 VAL 362 16.434 -10.475 4.487 197 HG12 VAL 362 HG12 VAL 362 16.066 -12.111 3.942 198 HG13 VAL 362 HG13 VAL 362 14.756 -10.986 4.304 199 HG21 VAL 362 HG21 VAL 362 14.556 -12.311 1.996 200 HG22 VAL 362 HG22 VAL 362 16.199 -12.395 1.358 201 HG23 VAL 362 HG23 VAL 362 15.006 -11.348 0.588 202 H MET 363 HN MET 363 13.347 -9.752 0.222 203 HA MET 363 HA MET 363 11.234 -11.243 1.588 204 HB2 MET 363 HB2 MET 363 10.663 -8.708 0.033 205 HB3 MET 363 HB1 MET 363 9.466 -9.773 0.773 206 HG2 MET 363 HG2 MET 363 10.627 -9.350 2.994 207 HG3 MET 363 HG1 MET 363 11.551 -8.089 2.179 208 HE1 MET 363 HE1 MET 363 10.675 -6.294 0.891 209 HE2 MET 363 HE2 MET 363 10.693 -5.591 2.506 210 HE3 MET 363 HE3 MET 363 9.323 -5.294 1.439 211 H ARG 364 HN ARG 364 9.893 -10.004 -1.112 212 HA ARG 364 HA ARG 364 11.138 -11.872 -2.997 213 HE ARG 364 HE ARG 364 7.651 -14.579 -2.341 214 HB2 ARG 364 HB2 ARG 364 9.301 -13.110 -1.851 215 HB3 ARG 364 HB1 ARG 364 8.167 -11.886 -2.422 216 HG2 ARG 364 HG2 ARG 364 7.998 -12.962 -4.388 217 HG3 ARG 364 HG1 ARG 364 9.726 -12.733 -4.658 218 HD2 ARG 364 HD2 ARG 364 9.204 -15.117 -4.723 219 HD3 ARG 364 HD1 ARG 364 10.182 -14.765 -3.301 220 HH11 ARG 364 HH21 ARG 364 9.335 -16.920 -4.254 221 HH12 ARG 364 HH22 ARG 364 8.427 -18.267 -3.655 222 HH21 ARG 364 HH11 ARG 364 6.455 -16.341 -1.551 223 HH22 ARG 364 HH12 ARG 364 6.796 -17.939 -2.124 224 HA PRO 365 HA PRO 365 9.597 -7.700 -4.630 225 HB2 PRO 365 HB2 PRO 365 12.084 -6.792 -5.394 226 HB3 PRO 365 HB1 PRO 365 11.335 -6.434 -3.827 227 HG2 PRO 365 HG2 PRO 365 13.395 -8.469 -4.519 228 HG3 PRO 365 HG1 PRO 365 13.265 -7.436 -3.085 229 HD2 PRO 365 HD2 PRO 365 12.555 -10.053 -3.059 230 HD3 PRO 365 HD1 PRO 365 11.738 -8.840 -2.049 231 H LYS 366 HN LYS 366 12.365 -9.583 -5.888 232 HA LYS 366 HA LYS 366 12.802 -10.464 -7.963 233 HB2 LYS 366 HB2 LYS 366 9.859 -10.186 -8.564 234 HB3 LYS 366 HB1 LYS 366 10.996 -11.383 -9.186 235 HG2 LYS 366 HG2 LYS 366 11.295 -12.096 -6.718 236 HG3 LYS 366 HG1 LYS 366 9.816 -11.183 -6.418 237 HD2 LYS 366 HD2 LYS 366 10.100 -13.429 -8.437 238 HD3 LYS 366 HD1 LYS 366 9.331 -13.573 -6.856 239 HE2 LYS 366 HE2 LYS 366 7.849 -11.588 -7.634 240 HE3 LYS 366 HE1 LYS 366 8.413 -11.996 -9.255 241 HZ1 LYS 366 HZ1 LYS 366 6.344 -13.131 -8.706 242 HZ2 LYS 366 HZ2 LYS 366 7.088 -13.872 -7.370 243 HZ3 LYS 366 HZ3 LYS 366 7.604 -14.241 -8.947 244 H LYS 367 HN LYS 367 11.836 -7.400 -7.438 245 HA LYS 367 HA LYS 367 11.882 -5.448 -8.649 246 HB2 LYS 367 HB2 LYS 367 13.479 -6.964 -10.710 247 HB3 LYS 367 HB1 LYS 367 13.588 -5.257 -10.277 248 HG2 LYS 367 HG2 LYS 367 14.308 -6.000 -7.959 249 HG3 LYS 367 HG1 LYS 367 14.439 -7.635 -8.608 250 HD2 LYS 367 HD2 LYS 367 16.043 -6.831 -10.307 251 HD3 LYS 367 HD1 LYS 367 15.923 -5.201 -9.644 252 HE2 LYS 367 HE2 LYS 367 17.541 -5.723 -8.171 253 HE3 LYS 367 HE1 LYS 367 16.459 -6.917 -7.455 254 HZ1 LYS 367 HZ1 LYS 367 18.186 -7.423 -9.816 255 HZ2 LYS 367 HZ2 LYS 367 17.242 -8.563 -8.981 256 HZ3 LYS 367 HZ3 LYS 367 18.590 -7.855 -8.226 257 H1 ACE 336 HA2 ACE 336 36.871 9.697 -8.698 258 H2 ACE 336 HA3 ACE 336 38.347 8.738 -8.801 259 H3 ACE 336 HA1 ACE 336 38.432 10.441 -8.354 260 HN1 NH2 368 HN1 NH2 368 10.087 -7.996 -9.627 261 HN2 NH2 368 HN2 NH2 368 9.383 -7.350 -11.029 Start of MODEL 2 1 HA LYS 337 HA LYS 337 36.535 7.989 -4.641 2 H1 LYS 337 HN LYS 337 35.771 9.783 -6.732 3 HB2 LYS 337 HB2 LYS 337 37.005 9.520 -2.883 4 HB3 LYS 337 HB1 LYS 337 38.023 10.003 -4.236 5 HG2 LYS 337 HG2 LYS 337 35.435 11.303 -3.333 6 HG3 LYS 337 HG1 LYS 337 37.048 12.006 -3.322 7 HD2 LYS 337 HD2 LYS 337 37.048 11.643 -5.868 8 HD3 LYS 337 HD1 LYS 337 35.309 11.375 -5.708 9 HE2 LYS 337 HE2 LYS 337 35.040 13.580 -4.678 10 HE3 LYS 337 HE1 LYS 337 36.781 13.847 -4.753 11 HZ1 LYS 337 HZ1 LYS 337 34.821 13.760 -6.944 12 HZ2 LYS 337 HZ2 LYS 337 36.443 13.361 -7.254 13 HZ3 LYS 337 HZ3 LYS 337 36.044 14.896 -6.644 14 H SER 338 HN SER 338 34.254 8.886 -6.434 15 HA SER 338 HA SER 338 32.224 9.357 -4.333 16 HG SER 338 HG SER 338 29.956 9.939 -5.992 17 HB2 SER 338 HB2 SER 338 32.542 11.007 -6.311 18 HB3 SER 338 HB1 SER 338 31.743 9.764 -7.270 19 H TYR 339 HN TYR 339 32.790 6.845 -4.204 20 HA TYR 339 HA TYR 339 30.473 5.472 -4.903 21 HD1 TYR 339 HD1 TYR 339 34.129 5.428 -5.397 22 HD2 TYR 339 HD2 TYR 339 31.991 5.920 -9.090 23 HE1 TYR 339 HE1 TYR 339 36.113 6.511 -6.398 24 HE2 TYR 339 HE2 TYR 339 33.984 7.001 -10.096 25 HH TYR 339 HH TYR 339 37.054 6.887 -8.664 26 HB2 TYR 339 HB2 TYR 339 31.791 3.883 -6.633 27 HB3 TYR 339 HB1 TYR 339 30.832 5.264 -7.138 28 H MET 340 HN MET 340 33.155 3.473 -5.616 29 HA MET 340 HA MET 340 32.806 1.876 -3.323 30 HB2 MET 340 HB2 MET 340 34.866 0.744 -4.042 31 HB3 MET 340 HB1 MET 340 33.792 1.032 -5.412 32 HG2 MET 340 HG2 MET 340 35.841 1.762 -6.261 33 HG3 MET 340 HG1 MET 340 35.149 3.266 -5.653 34 HE1 MET 340 HE1 MET 340 36.998 4.653 -5.281 35 HE2 MET 340 HE2 MET 340 38.097 3.529 -6.076 36 HE3 MET 340 HE3 MET 340 38.545 4.243 -4.528 37 H ALA 341 HN ALA 341 34.096 4.901 -3.530 38 HA ALA 341 HA ALA 341 36.166 4.513 -1.496 39 HB1 ALA 341 HB1 ALA 341 36.635 6.002 -3.398 40 HB2 ALA 341 HB2 ALA 341 36.649 6.891 -1.875 41 HB3 ALA 341 HB3 ALA 341 35.254 7.004 -2.950 42 H TYR 342 HN TYR 342 32.986 5.973 -1.920 43 HA TYR 342 HA TYR 342 33.025 6.967 0.829 44 HD1 TYR 342 HD2 TYR 342 29.388 7.408 1.060 45 HD2 TYR 342 HD1 TYR 342 30.739 6.770 -2.966 46 HE1 TYR 342 HE2 TYR 342 27.158 6.514 0.452 47 HE2 TYR 342 HE1 TYR 342 28.511 5.874 -3.574 48 HH TYR 342 HH TYR 342 25.898 5.650 -1.151 49 HB2 TYR 342 HB2 TYR 342 31.463 8.474 0.176 50 HB3 TYR 342 HB1 TYR 342 32.049 8.071 -1.440 51 H LEU 343 HN LEU 343 31.003 4.804 -1.207 52 HA LEU 343 HA LEU 343 29.287 4.058 0.911 53 HG LEU 343 HG LEU 343 31.230 2.552 -1.663 54 HB2 LEU 343 HB2 LEU 343 28.523 2.257 -0.511 55 HB3 LEU 343 HB1 LEU 343 28.746 3.702 -1.491 56 HD11 LEU 343 HD11 LEU 343 30.108 0.547 -0.418 57 HD12 LEU 343 HD12 LEU 343 31.081 0.208 -1.847 58 HD13 LEU 343 HD13 LEU 343 29.322 0.238 -1.964 59 HD21 LEU 343 HD21 LEU 343 29.804 3.426 -3.521 60 HD22 LEU 343 HD22 LEU 343 28.844 1.951 -3.444 61 HD23 LEU 343 HD23 LEU 343 30.539 1.874 -3.921 62 H SER 344 HN SER 344 32.514 3.255 0.225 63 HA SER 344 HA SER 344 32.461 0.737 1.698 64 HG SER 344 HG SER 344 34.470 -0.372 1.519 65 HB2 SER 344 HB2 SER 344 33.941 1.006 -0.278 66 HB3 SER 344 HB1 SER 344 34.808 2.285 0.569 67 H ALA 345 HN ALA 345 32.293 3.868 2.539 68 HA ALA 345 HA ALA 345 33.873 3.489 5.015 69 HB1 ALA 345 HB1 ALA 345 34.089 5.967 5.061 70 HB2 ALA 345 HB2 ALA 345 33.295 6.037 3.487 71 HB3 ALA 345 HB3 ALA 345 34.862 5.243 3.650 72 H GLU 346 HN GLU 346 30.930 3.029 4.161 73 HA GLU 346 HA GLU 346 29.799 4.168 6.605 74 HB2 GLU 346 HB2 GLU 346 27.785 4.967 5.322 75 HB3 GLU 346 HB1 GLU 346 29.254 5.899 5.029 76 HG2 GLU 346 HG2 GLU 346 29.213 5.382 2.843 77 HG3 GLU 346 HG1 GLU 346 29.132 3.661 3.214 78 H LEU 347 HN LEU 347 30.408 1.558 6.278 79 HA LEU 347 HA LEU 347 27.765 0.289 5.876 80 HG LEU 347 HG LEU 347 31.216 -0.338 6.149 81 HB2 LEU 347 HB2 LEU 347 28.880 -1.701 5.039 82 HB3 LEU 347 HB1 LEU 347 29.365 -0.310 4.069 83 HD11 LEU 347 HD11 LEU 347 30.719 -3.162 5.154 84 HD12 LEU 347 HD12 LEU 347 30.438 -2.590 6.798 85 HD13 LEU 347 HD13 LEU 347 32.078 -2.653 6.154 86 HD21 LEU 347 HD21 LEU 347 32.742 -1.244 4.320 87 HD22 LEU 347 HD22 LEU 347 31.810 0.189 3.884 88 HD23 LEU 347 HD23 LEU 347 31.302 -1.400 3.314 89 H PHE 348 HN PHE 348 30.268 1.006 7.979 90 HA PHE 348 HA PHE 348 29.363 -1.074 9.878 91 HD1 PHE 348 HD1 PHE 348 31.650 1.853 9.086 92 HD2 PHE 348 HD2 PHE 348 33.216 -2.023 8.109 93 HE1 PHE 348 HE1 PHE 348 33.049 2.871 7.323 94 HE2 PHE 348 HE2 PHE 348 34.624 -1.004 6.340 95 HZ PHE 348 HZ PHE 348 34.543 1.442 5.946 96 HB2 PHE 348 HB2 PHE 348 31.868 -0.496 10.763 97 HB3 PHE 348 HB1 PHE 348 31.495 -1.845 9.690 98 H HIS 349 HN HIS 349 29.526 2.152 9.138 99 HA HIS 349 HA HIS 349 30.173 3.386 11.569 100 HD2 HIS 349 HD2 HIS 349 28.057 2.380 8.158 101 HE1 HIS 349 HE1 HIS 349 25.083 5.370 7.981 102 HE2 HIS 349 HE2 HIS 349 25.781 3.093 7.100 103 HB2 HIS 349 HB2 HIS 349 28.978 5.335 10.694 104 HB3 HIS 349 HB1 HIS 349 29.983 4.608 9.442 105 H LEU 350 HN LEU 350 27.588 1.368 10.812 106 HA LEU 350 HA LEU 350 26.105 2.284 13.202 107 HG LEU 350 HG LEU 350 25.762 3.578 10.516 108 HB2 LEU 350 HB2 LEU 350 24.915 1.234 10.623 109 HB3 LEU 350 HB1 LEU 350 24.008 1.657 12.075 110 HD11 LEU 350 HD11 LEU 350 22.749 3.234 10.578 111 HD12 LEU 350 HD12 LEU 350 23.807 2.952 9.196 112 HD13 LEU 350 HD13 LEU 350 23.588 4.587 9.819 113 HD21 LEU 350 HD21 LEU 350 24.039 5.091 11.987 114 HD22 LEU 350 HD22 LEU 350 25.654 4.650 12.535 115 HD23 LEU 350 HD23 LEU 350 24.257 3.721 13.073 116 H SER 351 HN SER 351 28.110 0.343 13.270 117 HA SER 351 HA SER 351 27.568 -2.286 12.861 118 HG SER 351 HG SER 351 29.145 -0.036 15.363 119 HB2 SER 351 HB2 SER 351 28.831 -2.764 14.950 120 HB3 SER 351 HB1 SER 351 29.621 -1.558 13.939 121 H GLY 352 HN GLY 352 25.587 -3.162 13.026 122 HA2 GLY 352 HA2 GLY 352 24.364 -4.371 14.937 123 HA3 GLY 352 HA1 GLY 352 24.047 -2.734 15.510 124 H ILE 353 HN ILE 353 23.509 -1.374 13.227 125 HA ILE 353 HA ILE 353 20.916 -2.483 12.468 126 HB ILE 353 HB ILE 353 22.179 0.207 11.898 127 HG12 ILE 353 HG12 ILE 353 19.804 0.091 13.600 128 HG13 ILE 353 HG11 ILE 353 21.159 -0.808 14.283 129 HG21 ILE 353 HG21 ILE 353 19.592 0.654 11.522 130 HG22 ILE 353 HG22 ILE 353 19.573 -1.071 11.155 131 HG23 ILE 353 HG23 ILE 353 20.592 0.019 10.214 132 HD11 ILE 353 HD11 ILE 353 22.614 1.159 14.018 133 HD12 ILE 353 HD12 ILE 353 21.205 1.559 14.999 134 HD13 ILE 353 HD13 ILE 353 21.275 2.062 13.311 135 H MET 354 HN MET 354 23.977 -1.495 11.043 136 HA MET 354 HA MET 354 23.220 -1.959 8.333 137 HB2 MET 354 HB2 MET 354 25.580 -1.675 7.831 138 HB3 MET 354 HB1 MET 354 25.069 -0.445 8.990 139 HG2 MET 354 HG2 MET 354 27.019 -1.207 10.004 140 HG3 MET 354 HG1 MET 354 25.820 -2.253 10.767 141 HE1 MET 354 HE1 MET 354 28.687 -4.748 10.425 142 HE2 MET 354 HE2 MET 354 27.376 -4.138 11.433 143 HE3 MET 354 HE3 MET 354 28.677 -3.056 10.941 144 H ALA 355 HN ALA 355 24.401 -3.929 10.916 145 HA ALA 355 HA ALA 355 25.388 -6.078 9.288 146 HB1 ALA 355 HB1 ALA 355 26.284 -6.635 11.265 147 HB2 ALA 355 HB2 ALA 355 24.673 -7.033 11.862 148 HB3 ALA 355 HB3 ALA 355 25.315 -5.403 12.074 149 H LEU 356 HN LEU 356 22.310 -5.008 10.291 150 HA LEU 356 HA LEU 356 21.111 -7.590 9.490 151 HG LEU 356 HG LEU 356 20.860 -4.576 11.465 152 HB2 LEU 356 HB2 LEU 356 19.232 -7.076 10.979 153 HB3 LEU 356 HB1 LEU 356 20.749 -7.107 11.869 154 HD11 LEU 356 HD11 LEU 356 18.207 -3.876 11.498 155 HD12 LEU 356 HD12 LEU 356 18.198 -5.196 10.333 156 HD13 LEU 356 HD13 LEU 356 19.237 -3.800 10.072 157 HD21 LEU 356 HD21 LEU 356 20.378 -5.632 13.649 158 HD22 LEU 356 HD22 LEU 356 18.666 -5.695 13.232 159 HD23 LEU 356 HD23 LEU 356 19.466 -4.137 13.442 160 H ILE 357 HN ILE 357 21.562 -4.371 8.680 161 HA ILE 357 HA ILE 357 19.284 -3.287 7.711 162 HB ILE 357 HB ILE 357 22.078 -3.279 6.827 163 HG12 ILE 357 HG12 ILE 357 19.897 -1.166 6.782 164 HG13 ILE 357 HG11 ILE 357 20.926 -1.511 8.169 165 HG21 ILE 357 HG21 ILE 357 21.200 -3.936 4.652 166 HG22 ILE 357 HG22 ILE 357 21.560 -2.219 4.601 167 HG23 ILE 357 HG23 ILE 357 19.894 -2.753 4.778 168 HD11 ILE 357 HD11 ILE 357 21.503 0.084 5.808 169 HD12 ILE 357 HD12 ILE 357 22.717 -1.172 6.046 170 HD13 ILE 357 HD13 ILE 357 22.384 -0.011 7.331 171 H ALA 358 HN ALA 358 21.063 -5.951 6.208 172 HA ALA 358 HA ALA 358 18.978 -6.280 4.181 173 HB1 ALA 358 HB1 ALA 358 21.617 -6.552 3.947 174 HB2 ALA 358 HB2 ALA 358 20.497 -7.531 2.997 175 HB3 ALA 358 HB3 ALA 358 21.240 -8.201 4.449 176 H SER 359 HN SER 359 19.934 -7.591 7.220 177 HA SER 359 HA SER 359 18.403 -10.052 6.846 178 HG SER 359 HG SER 359 20.193 -8.993 10.240 179 HB2 SER 359 HB2 SER 359 19.585 -10.878 8.599 180 HB3 SER 359 HB1 SER 359 20.667 -9.530 8.257 181 H GLY 360 HN GLY 360 17.615 -6.951 7.463 182 HA2 GLY 360 HA2 GLY 360 15.255 -7.742 9.052 183 HA3 GLY 360 HA1 GLY 360 16.182 -6.314 9.497 184 H VAL 361 HN VAL 361 15.256 -7.531 6.286 185 HA VAL 361 HA VAL 361 13.180 -5.644 5.863 186 HB VAL 361 HB VAL 361 15.269 -4.174 5.874 187 HG11 VAL 361 HG11 VAL 361 15.699 -5.360 3.128 188 HG12 VAL 361 HG12 VAL 361 16.575 -5.947 4.542 189 HG13 VAL 361 HG13 VAL 361 16.755 -4.271 4.025 190 HG21 VAL 361 HG21 VAL 361 13.136 -3.470 4.864 191 HG22 VAL 361 HG22 VAL 361 13.557 -4.308 3.369 192 HG23 VAL 361 HG23 VAL 361 14.492 -2.906 3.890 193 H VAL 362 HN VAL 362 15.746 -7.582 4.385 194 HA VAL 362 HA VAL 362 15.755 -9.011 2.592 195 HB VAL 362 HB VAL 362 12.882 -9.195 3.495 196 HG11 VAL 362 HG11 VAL 362 14.302 -10.591 1.224 197 HG12 VAL 362 HG12 VAL 362 12.725 -9.799 1.206 198 HG13 VAL 362 HG13 VAL 362 12.932 -11.332 2.052 199 HG21 VAL 362 HG21 VAL 362 15.214 -10.157 4.580 200 HG22 VAL 362 HG22 VAL 362 14.706 -11.511 3.571 201 HG23 VAL 362 HG23 VAL 362 13.627 -10.888 4.818 202 H MET 363 HN MET 363 15.179 -9.238 0.347 203 HA MET 363 HA MET 363 13.586 -7.031 -0.776 204 HB2 MET 363 HB2 MET 363 16.295 -7.806 -1.870 205 HB3 MET 363 HB1 MET 363 15.287 -6.441 -2.351 206 HG2 MET 363 HG2 MET 363 15.528 -5.482 -0.075 207 HG3 MET 363 HG1 MET 363 16.583 -6.826 0.364 208 HE1 MET 363 HE1 MET 363 19.018 -6.699 0.253 209 HE2 MET 363 HE2 MET 363 18.404 -5.293 1.118 210 HE3 MET 363 HE3 MET 363 19.748 -5.109 -0.006 211 H ARG 364 HN ARG 364 12.561 -7.502 -2.705 212 HA ARG 364 HA ARG 364 13.133 -9.789 -4.299 213 HE ARG 364 HE ARG 364 8.468 -9.117 -0.740 214 HB2 ARG 364 HB2 ARG 364 10.999 -11.022 -3.767 215 HB3 ARG 364 HB1 ARG 364 12.222 -11.085 -2.497 216 HG2 ARG 364 HG2 ARG 364 10.824 -10.095 -1.039 217 HG3 ARG 364 HG1 ARG 364 10.582 -8.740 -2.143 218 HD2 ARG 364 HD2 ARG 364 8.829 -9.935 -3.315 219 HD3 ARG 364 HD1 ARG 364 9.143 -11.394 -2.381 220 HH11 ARG 364 HH21 ARG 364 7.286 -11.733 -2.671 221 HH12 ARG 364 HH22 ARG 364 5.763 -11.831 -1.854 222 HH21 ARG 364 HH11 ARG 364 6.473 -9.239 0.338 223 HH22 ARG 364 HH12 ARG 364 5.302 -10.419 -0.150 224 HA PRO 365 HA PRO 365 10.254 -6.318 -5.797 225 HB2 PRO 365 HB2 PRO 365 12.036 -5.326 -7.659 226 HB3 PRO 365 HB1 PRO 365 11.852 -4.686 -6.014 227 HG2 PRO 365 HG2 PRO 365 13.895 -6.564 -7.094 228 HG3 PRO 365 HG1 PRO 365 14.084 -5.230 -5.943 229 HD2 PRO 365 HD2 PRO 365 14.003 -7.812 -5.143 230 HD3 PRO 365 HD1 PRO 365 13.339 -6.500 -4.145 231 H LYS 366 HN LYS 366 12.633 -8.232 -7.637 232 HA LYS 366 HA LYS 366 12.445 -9.498 -9.543 233 HB2 LYS 366 HB2 LYS 366 9.507 -9.638 -8.840 234 HB3 LYS 366 HB1 LYS 366 10.426 -10.779 -9.821 235 HG2 LYS 366 HG2 LYS 366 11.820 -11.346 -7.868 236 HG3 LYS 366 HG1 LYS 366 10.912 -10.201 -6.883 237 HD2 LYS 366 HD2 LYS 366 9.384 -12.298 -8.372 238 HD3 LYS 366 HD1 LYS 366 10.266 -12.781 -6.923 239 HE2 LYS 366 HE2 LYS 366 8.568 -10.318 -6.799 240 HE3 LYS 366 HE1 LYS 366 7.772 -11.891 -6.753 241 HZ1 LYS 366 HZ1 LYS 366 9.691 -12.333 -5.013 242 HZ2 LYS 366 HZ2 LYS 366 8.205 -11.644 -4.561 243 HZ3 LYS 366 HZ3 LYS 366 9.562 -10.654 -4.810 244 H LYS 367 HN LYS 367 12.510 -6.818 -10.033 245 HA LYS 367 HA LYS 367 11.992 -5.203 -11.588 246 HB2 LYS 367 HB2 LYS 367 11.238 -7.736 -13.051 247 HB3 LYS 367 HB1 LYS 367 11.184 -6.145 -13.813 248 HG2 LYS 367 HG2 LYS 367 13.563 -5.801 -13.310 249 HG3 LYS 367 HG1 LYS 367 13.630 -7.366 -12.497 250 HD2 LYS 367 HD2 LYS 367 12.780 -8.353 -14.725 251 HD3 LYS 367 HD1 LYS 367 13.225 -6.800 -15.434 252 HE2 LYS 367 HE2 LYS 367 15.475 -7.337 -14.014 253 HE3 LYS 367 HE1 LYS 367 14.959 -8.976 -14.410 254 HZ1 LYS 367 HZ1 LYS 367 14.628 -7.434 -16.697 255 HZ2 LYS 367 HZ2 LYS 367 15.761 -8.672 -16.433 256 HZ3 LYS 367 HZ3 LYS 367 16.164 -7.059 -16.083 257 H1 ACE 336 HA2 ACE 336 38.417 10.384 -8.288 258 H2 ACE 336 HA3 ACE 336 36.828 9.707 -8.647 259 H3 ACE 336 HA1 ACE 336 38.268 8.697 -8.780 260 HN1 NH2 368 HN1 NH2 368 10.223 -4.366 -10.136 261 HN2 NH2 368 HN2 NH2 368 8.610 -4.531 -10.639 Start of MODEL 3 1 HA LYS 337 HA LYS 337 36.602 8.026 -4.587 2 H1 LYS 337 HN LYS 337 35.882 9.717 -6.753 3 HB2 LYS 337 HB2 LYS 337 37.096 9.590 -2.866 4 HB3 LYS 337 HB1 LYS 337 38.137 10.012 -4.221 5 HG2 LYS 337 HG2 LYS 337 35.582 11.403 -3.367 6 HG3 LYS 337 HG1 LYS 337 37.211 12.064 -3.378 7 HD2 LYS 337 HD2 LYS 337 37.203 11.634 -5.910 8 HD3 LYS 337 HD1 LYS 337 35.459 11.402 -5.747 9 HE2 LYS 337 HE2 LYS 337 36.973 13.874 -4.859 10 HE3 LYS 337 HE1 LYS 337 36.030 13.743 -6.344 11 HZ1 LYS 337 HZ1 LYS 337 34.939 13.317 -3.616 12 HZ2 LYS 337 HZ2 LYS 337 34.059 13.347 -5.069 13 HZ3 LYS 337 HZ3 LYS 337 34.796 14.763 -4.490 14 H SER 338 HN SER 338 34.347 8.911 -6.415 15 HA SER 338 HA SER 338 32.317 9.423 -4.321 16 HG SER 338 HG SER 338 32.358 11.038 -8.003 17 HB2 SER 338 HB2 SER 338 30.933 10.253 -6.313 18 HB3 SER 338 HB1 SER 338 32.257 11.281 -5.771 19 H TYR 339 HN TYR 339 32.707 6.929 -4.211 20 HA TYR 339 HA TYR 339 30.398 5.646 -5.057 21 HD1 TYR 339 HD1 TYR 339 34.061 5.483 -5.368 22 HD2 TYR 339 HD2 TYR 339 32.173 6.095 -9.178 23 HE1 TYR 339 HE1 TYR 339 36.153 6.441 -6.241 24 HE2 TYR 339 HE2 TYR 339 34.281 7.059 -10.058 25 HH TYR 339 HH TYR 339 37.003 6.651 -9.159 26 HB2 TYR 339 HB2 TYR 339 31.703 4.065 -6.780 27 HB3 TYR 339 HB1 TYR 339 30.861 5.521 -7.285 28 H MET 340 HN MET 340 33.017 3.570 -5.734 29 HA MET 340 HA MET 340 32.568 1.954 -3.463 30 HB2 MET 340 HB2 MET 340 34.442 0.651 -4.233 31 HB3 MET 340 HB1 MET 340 33.548 1.196 -5.654 32 HG2 MET 340 HG2 MET 340 35.284 3.278 -5.295 33 HG3 MET 340 HG1 MET 340 36.266 1.918 -4.751 34 HE1 MET 340 HE1 MET 340 36.749 3.877 -7.022 35 HE2 MET 340 HE2 MET 340 35.185 3.936 -7.832 36 HE3 MET 340 HE3 MET 340 36.580 3.270 -8.675 37 H ALA 341 HN ALA 341 34.027 4.906 -3.651 38 HA ALA 341 HA ALA 341 36.090 4.389 -1.644 39 HB1 ALA 341 HB1 ALA 341 36.518 5.906 -3.582 40 HB2 ALA 341 HB2 ALA 341 36.747 6.689 -2.018 41 HB3 ALA 341 HB3 ALA 341 35.281 6.993 -2.951 42 H TYR 342 HN TYR 342 32.909 5.822 -1.958 43 HA TYR 342 HA TYR 342 33.047 6.859 0.781 44 HD1 TYR 342 HD1 TYR 342 29.351 7.226 1.040 45 HD2 TYR 342 HD2 TYR 342 30.748 6.664 -2.981 46 HE1 TYR 342 HE1 TYR 342 27.143 6.296 0.402 47 HE2 TYR 342 HE2 TYR 342 28.544 5.733 -3.621 48 HH TYR 342 HH TYR 342 25.915 6.164 -2.298 49 HB2 TYR 342 HB2 TYR 342 31.412 8.333 0.199 50 HB3 TYR 342 HB1 TYR 342 32.010 7.989 -1.427 51 H LEU 343 HN LEU 343 31.001 4.675 -1.188 52 HA LEU 343 HA LEU 343 29.297 3.909 0.919 53 HG LEU 343 HG LEU 343 31.327 2.112 -1.432 54 HB2 LEU 343 HB2 LEU 343 28.493 2.209 -0.501 55 HB3 LEU 343 HB1 LEU 343 29.007 3.486 -1.598 56 HD11 LEU 343 HD11 LEU 343 29.823 0.407 0.017 57 HD12 LEU 343 HD12 LEU 343 31.094 -0.154 -1.064 58 HD13 LEU 343 HD13 LEU 343 29.415 -0.174 -1.596 59 HD21 LEU 343 HD21 LEU 343 28.925 1.661 -3.212 60 HD22 LEU 343 HD22 LEU 343 30.486 0.910 -3.532 61 HD23 LEU 343 HD23 LEU 343 30.335 2.664 -3.531 62 H SER 344 HN SER 344 32.559 3.118 0.236 63 HA SER 344 HA SER 344 32.549 0.678 1.828 64 HG SER 344 HG SER 344 35.766 0.009 0.865 65 HB2 SER 344 HB2 SER 344 34.029 0.903 -0.157 66 HB3 SER 344 HB1 SER 344 34.875 2.220 0.650 67 H ALA 345 HN ALA 345 32.358 3.853 2.533 68 HA ALA 345 HA ALA 345 33.942 3.594 5.020 69 HB1 ALA 345 HB1 ALA 345 33.269 6.067 3.410 70 HB2 ALA 345 HB2 ALA 345 34.865 5.340 3.608 71 HB3 ALA 345 HB3 ALA 345 34.057 6.084 4.988 72 H GLU 346 HN GLU 346 31.019 2.997 4.201 73 HA GLU 346 HA GLU 346 29.854 4.139 6.624 74 HB2 GLU 346 HB2 GLU 346 27.814 4.860 5.333 75 HB3 GLU 346 HB1 GLU 346 29.252 5.839 5.037 76 HG2 GLU 346 HG2 GLU 346 29.248 5.295 2.856 77 HG3 GLU 346 HG1 GLU 346 29.192 3.576 3.240 78 H LEU 347 HN LEU 347 30.523 1.558 6.380 79 HA LEU 347 HA LEU 347 27.932 0.198 5.945 80 HG LEU 347 HG LEU 347 31.398 -0.328 6.309 81 HB2 LEU 347 HB2 LEU 347 29.111 -1.766 5.160 82 HB3 LEU 347 HB1 LEU 347 29.616 -0.379 4.194 83 HD11 LEU 347 HD11 LEU 347 32.257 -2.633 6.488 84 HD12 LEU 347 HD12 LEU 347 30.942 -3.206 5.463 85 HD13 LEU 347 HD13 LEU 347 30.592 -2.542 7.059 86 HD21 LEU 347 HD21 LEU 347 31.558 -1.534 3.538 87 HD22 LEU 347 HD22 LEU 347 32.973 -1.363 4.578 88 HD23 LEU 347 HD23 LEU 347 32.087 0.068 4.053 89 H PHE 348 HN PHE 348 30.320 1.073 8.100 90 HA PHE 348 HA PHE 348 29.466 -1.014 10.015 91 HD1 PHE 348 HD1 PHE 348 31.621 2.020 9.241 92 HD2 PHE 348 HD2 PHE 348 33.427 -1.784 8.400 93 HE1 PHE 348 HE1 PHE 348 33.030 3.080 7.511 94 HE2 PHE 348 HE2 PHE 348 34.844 -0.724 6.664 95 HZ PHE 348 HZ PHE 348 34.648 1.708 6.218 96 HB2 PHE 348 HB2 PHE 348 31.902 -0.284 10.972 97 HB3 PHE 348 HB1 PHE 348 31.642 -1.670 9.915 98 H HIS 349 HN HIS 349 29.476 2.200 9.208 99 HA HIS 349 HA HIS 349 29.968 3.515 11.635 100 HD2 HIS 349 HD2 HIS 349 28.043 2.344 8.155 101 HE1 HIS 349 HE1 HIS 349 24.907 5.149 7.841 102 HE2 HIS 349 HE2 HIS 349 25.769 2.909 7.010 103 HB2 HIS 349 HB2 HIS 349 28.707 5.381 10.675 104 HB3 HIS 349 HB1 HIS 349 29.793 4.682 9.474 105 H LEU 350 HN LEU 350 27.525 1.348 10.822 106 HA LEU 350 HA LEU 350 25.898 2.232 13.129 107 HG LEU 350 HG LEU 350 25.578 3.463 10.435 108 HB2 LEU 350 HB2 LEU 350 24.887 1.065 10.524 109 HB3 LEU 350 HB1 LEU 350 23.891 1.436 11.931 110 HD11 LEU 350 HD11 LEU 350 23.757 2.711 9.012 111 HD12 LEU 350 HD12 LEU 350 23.361 4.313 9.635 112 HD13 LEU 350 HD13 LEU 350 22.604 2.882 10.336 113 HD21 LEU 350 HD21 LEU 350 25.301 4.419 12.530 114 HD22 LEU 350 HD22 LEU 350 23.800 3.552 12.847 115 HD23 LEU 350 HD23 LEU 350 23.803 4.943 11.765 116 H SER 351 HN SER 351 28.025 0.393 13.271 117 HA SER 351 HA SER 351 27.609 -2.269 12.931 118 HG SER 351 HG SER 351 28.469 -2.570 16.310 119 HB2 SER 351 HB2 SER 351 29.625 -1.667 13.983 120 HB3 SER 351 HB1 SER 351 28.799 -0.768 15.252 121 H GLY 352 HN GLY 352 25.576 -3.099 13.050 122 HA2 GLY 352 HA2 GLY 352 24.429 -4.337 15.042 123 HA3 GLY 352 HA1 GLY 352 24.009 -2.689 15.505 124 H ILE 353 HN ILE 353 23.553 -1.565 13.019 125 HA ILE 353 HA ILE 353 21.026 -2.864 12.281 126 HB ILE 353 HB ILE 353 22.122 -0.093 11.768 127 HG12 ILE 353 HG12 ILE 353 19.543 -0.402 13.114 128 HG13 ILE 353 HG11 ILE 353 20.852 -1.198 13.990 129 HG21 ILE 353 HG21 ILE 353 19.620 0.185 10.997 130 HG22 ILE 353 HG22 ILE 353 19.720 -1.551 10.703 131 HG23 ILE 353 HG23 ILE 353 20.814 -0.451 9.866 132 HD11 ILE 353 HD11 ILE 353 20.881 1.679 13.027 133 HD12 ILE 353 HD12 ILE 353 22.176 0.878 13.918 134 HD13 ILE 353 HD13 ILE 353 20.616 1.161 14.692 135 H MET 354 HN MET 354 24.055 -1.700 10.941 136 HA MET 354 HA MET 354 23.467 -2.253 8.217 137 HB2 MET 354 HB2 MET 354 25.834 -1.857 7.832 138 HB3 MET 354 HB1 MET 354 25.204 -0.645 8.948 139 HG2 MET 354 HG2 MET 354 27.137 -1.297 10.064 140 HG3 MET 354 HG1 MET 354 25.955 -2.390 10.782 141 HE1 MET 354 HE1 MET 354 28.850 -3.048 11.096 142 HE2 MET 354 HE2 MET 354 28.948 -4.743 10.627 143 HE3 MET 354 HE3 MET 354 27.564 -4.172 11.556 144 H ALA 355 HN ALA 355 24.632 -4.158 10.864 145 HA ALA 355 HA ALA 355 25.766 -6.257 9.260 146 HB1 ALA 355 HB1 ALA 355 25.114 -7.295 11.784 147 HB2 ALA 355 HB2 ALA 355 25.534 -5.604 12.067 148 HB3 ALA 355 HB3 ALA 355 26.682 -6.677 11.264 149 H LEU 356 HN LEU 356 22.640 -5.281 10.045 150 HA LEU 356 HA LEU 356 21.549 -7.940 9.342 151 HG LEU 356 HG LEU 356 21.397 -5.013 11.456 152 HB2 LEU 356 HB2 LEU 356 19.519 -6.446 10.579 153 HB3 LEU 356 HB1 LEU 356 20.356 -7.848 11.239 154 HD11 LEU 356 HD11 LEU 356 19.283 -6.383 12.912 155 HD12 LEU 356 HD12 LEU 356 19.804 -4.704 13.030 156 HD13 LEU 356 HD13 LEU 356 20.610 -5.947 13.987 157 HD21 LEU 356 HD21 LEU 356 22.252 -6.832 13.514 158 HD22 LEU 356 HD22 LEU 356 23.237 -5.998 12.313 159 HD23 LEU 356 HD23 LEU 356 22.550 -7.578 11.945 160 H ILE 357 HN ILE 357 21.820 -4.634 8.560 161 HA ILE 357 HA ILE 357 19.592 -3.744 7.367 162 HB ILE 357 HB ILE 357 22.439 -3.579 6.637 163 HG12 ILE 357 HG12 ILE 357 20.160 -1.572 6.587 164 HG13 ILE 357 HG11 ILE 357 21.155 -1.916 7.997 165 HG21 ILE 357 HG21 ILE 357 21.913 -2.451 4.431 166 HG22 ILE 357 HG22 ILE 357 20.291 -3.120 4.536 167 HG23 ILE 357 HG23 ILE 357 21.690 -4.194 4.414 168 HD11 ILE 357 HD11 ILE 357 23.003 -1.416 5.960 169 HD12 ILE 357 HD12 ILE 357 22.559 -0.312 7.263 170 HD13 ILE 357 HD13 ILE 357 21.735 -0.216 5.707 171 H ALA 358 HN ALA 358 21.664 -6.266 5.983 172 HA ALA 358 HA ALA 358 19.759 -6.735 3.818 173 HB1 ALA 358 HB1 ALA 358 21.442 -7.881 2.759 174 HB2 ALA 358 HB2 ALA 358 22.104 -8.518 4.266 175 HB3 ALA 358 HB3 ALA 358 22.422 -6.847 3.799 176 H SER 359 HN SER 359 20.717 -8.114 6.873 177 HA SER 359 HA SER 359 19.319 -10.618 6.402 178 HG SER 359 HG SER 359 19.837 -12.064 8.782 179 HB2 SER 359 HB2 SER 359 21.404 -9.892 8.044 180 HB3 SER 359 HB1 SER 359 20.050 -9.971 9.168 181 H GLY 360 HN GLY 360 18.283 -7.578 6.963 182 HA2 GLY 360 HA2 GLY 360 15.876 -8.531 8.389 183 HA3 GLY 360 HA1 GLY 360 16.660 -7.028 8.865 184 H VAL 361 HN VAL 361 16.110 -8.327 5.605 185 HA VAL 361 HA VAL 361 13.896 -6.660 5.003 186 HB VAL 361 HB VAL 361 15.806 -4.980 5.189 187 HG11 VAL 361 HG11 VAL 361 16.635 -6.134 2.521 188 HG12 VAL 361 HG12 VAL 361 17.425 -6.592 4.029 189 HG13 VAL 361 HG13 VAL 361 17.465 -4.915 3.485 190 HG21 VAL 361 HG21 VAL 361 13.765 -5.293 3.146 191 HG22 VAL 361 HG22 VAL 361 15.150 -4.411 2.507 192 HG23 VAL 361 HG23 VAL 361 14.320 -3.824 3.946 193 H VAL 362 HN VAL 362 16.771 -8.300 3.745 194 HA VAL 362 HA VAL 362 17.083 -9.708 1.960 195 HB VAL 362 HB VAL 362 14.192 -10.249 2.636 196 HG11 VAL 362 HG11 VAL 362 14.168 -11.122 0.508 197 HG12 VAL 362 HG12 VAL 362 14.967 -12.468 1.321 198 HG13 VAL 362 HG13 VAL 362 15.924 -11.276 0.441 199 HG21 VAL 362 HG21 VAL 362 15.859 -10.849 4.346 200 HG22 VAL 362 HG22 VAL 362 16.781 -11.750 3.142 201 HG23 VAL 362 HG23 VAL 362 15.175 -12.303 3.617 202 H MET 363 HN MET 363 13.717 -9.144 1.115 203 HA MET 363 HA MET 363 12.732 -8.223 -0.746 204 HB2 MET 363 HB2 MET 363 15.190 -6.508 -1.071 205 HB3 MET 363 HB1 MET 363 13.527 -6.135 -1.522 206 HG2 MET 363 HG2 MET 363 14.665 -6.347 1.274 207 HG3 MET 363 HG1 MET 363 14.005 -4.912 0.496 208 HE1 MET 363 HE1 MET 363 10.419 -4.915 0.939 209 HE2 MET 363 HE2 MET 363 11.770 -4.452 -0.093 210 HE3 MET 363 HE3 MET 363 11.830 -4.104 1.634 211 H ARG 364 HN ARG 364 13.205 -7.732 -3.171 212 HA ARG 364 HA ARG 364 15.311 -9.510 -4.202 213 HE ARG 364 HE ARG 364 11.340 -13.662 -3.697 214 HB2 ARG 364 HB2 ARG 364 12.420 -9.575 -5.102 215 HB3 ARG 364 HB1 ARG 364 13.741 -10.523 -5.786 216 HG2 ARG 364 HG2 ARG 364 14.026 -11.188 -3.185 217 HG3 ARG 364 HG1 ARG 364 12.289 -10.876 -3.216 218 HD2 ARG 364 HD2 ARG 364 12.281 -12.353 -5.348 219 HD3 ARG 364 HD1 ARG 364 13.865 -12.895 -4.803 220 HH11 ARG 364 HH21 ARG 364 14.641 -12.945 -2.946 221 HH12 ARG 364 HH22 ARG 364 14.686 -13.958 -1.542 222 HH21 ARG 364 HH11 ARG 364 11.391 -14.993 -1.857 223 HH22 ARG 364 HH12 ARG 364 12.846 -15.117 -0.925 224 HA PRO 365 HA PRO 365 15.005 -5.544 -6.547 225 HB2 PRO 365 HB2 PRO 365 17.508 -4.629 -6.026 226 HB3 PRO 365 HB1 PRO 365 16.145 -4.367 -4.921 227 HG2 PRO 365 HG2 PRO 365 18.402 -6.268 -4.718 228 HG3 PRO 365 HG1 PRO 365 17.503 -5.437 -3.442 229 HD2 PRO 365 HD2 PRO 365 17.143 -8.102 -4.239 230 HD3 PRO 365 HD1 PRO 365 16.022 -7.157 -3.235 231 H LYS 366 HN LYS 366 18.037 -7.427 -6.288 232 HA LYS 366 HA LYS 366 19.482 -8.224 -7.888 233 HB2 LYS 366 HB2 LYS 366 16.900 -8.464 -9.452 234 HB3 LYS 366 HB1 LYS 366 18.419 -9.266 -9.854 235 HG2 LYS 366 HG2 LYS 366 17.823 -10.955 -8.490 236 HG3 LYS 366 HG1 LYS 366 17.945 -9.837 -7.131 237 HD2 LYS 366 HD2 LYS 366 15.722 -10.793 -7.106 238 HD3 LYS 366 HD1 LYS 366 15.583 -9.109 -7.611 239 HE2 LYS 366 HE2 LYS 366 14.532 -9.810 -9.474 240 HE3 LYS 366 HE1 LYS 366 16.034 -10.587 -9.973 241 HZ1 LYS 366 HZ1 LYS 366 15.205 -12.582 -9.521 242 HZ2 LYS 366 HZ2 LYS 366 13.684 -11.842 -9.359 243 HZ3 LYS 366 HZ3 LYS 366 14.654 -12.104 -7.989 244 H LYS 367 HN LYS 367 18.467 -5.285 -7.933 245 HA LYS 367 HA LYS 367 18.840 -4.502 -10.691 246 HB2 LYS 367 HB2 LYS 367 18.439 -3.020 -8.104 247 HB3 LYS 367 HB1 LYS 367 18.895 -2.165 -9.577 248 HG2 LYS 367 HG2 LYS 367 16.631 -4.115 -9.722 249 HG3 LYS 367 HG1 LYS 367 16.337 -2.552 -8.961 250 HD2 LYS 367 HD2 LYS 367 16.715 -1.368 -10.921 251 HD3 LYS 367 HD1 LYS 367 17.764 -2.616 -11.594 252 HE2 LYS 367 HE2 LYS 367 15.823 -4.086 -11.937 253 HE3 LYS 367 HE1 LYS 367 14.763 -2.865 -11.231 254 HZ1 LYS 367 HZ1 LYS 367 16.117 -1.494 -13.134 255 HZ2 LYS 367 HZ2 LYS 367 14.550 -2.125 -13.304 256 HZ3 LYS 367 HZ3 LYS 367 15.889 -3.007 -13.868 257 H1 ACE 336 HA2 ACE 336 38.468 8.680 -8.691 258 H2 ACE 336 HA3 ACE 336 38.557 10.388 -8.260 259 H3 ACE 336 HA1 ACE 336 36.997 9.652 -8.626 260 HN1 NH2 368 HN1 NH2 368 20.624 -3.120 -7.903 261 HN2 NH2 368 HN2 NH2 368 22.153 -3.252 -8.626 Start of MODEL 4 1 HA LYS 337 HA LYS 337 36.407 8.007 -4.804 2 H1 LYS 337 HN LYS 337 35.540 9.851 -6.813 3 HB2 LYS 337 HB2 LYS 337 36.986 9.498 -3.047 4 HB3 LYS 337 HB1 LYS 337 37.922 10.013 -4.447 5 HG2 LYS 337 HG2 LYS 337 35.400 11.290 -3.352 6 HG3 LYS 337 HG1 LYS 337 37.008 11.996 -3.443 7 HD2 LYS 337 HD2 LYS 337 36.833 11.689 -5.985 8 HD3 LYS 337 HD1 LYS 337 35.113 11.396 -5.716 9 HE2 LYS 337 HE2 LYS 337 35.412 13.641 -4.251 10 HE3 LYS 337 HE1 LYS 337 36.670 13.913 -5.455 11 HZ1 LYS 337 HZ1 LYS 337 34.782 13.160 -7.072 12 HZ2 LYS 337 HZ2 LYS 337 34.867 14.768 -6.526 13 HZ3 LYS 337 HZ3 LYS 337 33.771 13.681 -5.813 14 H SER 338 HN SER 338 34.034 8.962 -6.452 15 HA SER 338 HA SER 338 32.127 9.391 -4.230 16 HG SER 338 HG SER 338 31.846 10.889 -7.957 17 HB2 SER 338 HB2 SER 338 30.593 10.177 -6.098 18 HB3 SER 338 HB1 SER 338 31.969 11.217 -5.741 19 H TYR 339 HN TYR 339 32.668 6.876 -4.179 20 HA TYR 339 HA TYR 339 30.309 5.535 -4.790 21 HD1 TYR 339 HD1 TYR 339 33.934 5.477 -5.475 22 HD2 TYR 339 HD2 TYR 339 31.616 6.061 -9.044 23 HE1 TYR 339 HE1 TYR 339 35.875 6.558 -6.555 24 HE2 TYR 339 HE2 TYR 339 33.567 7.140 -10.130 25 HH TYR 339 HH TYR 339 36.331 6.878 -9.617 26 HB2 TYR 339 HB2 TYR 339 31.519 3.978 -6.622 27 HB3 TYR 339 HB1 TYR 339 30.550 5.379 -7.045 28 H MET 340 HN MET 340 32.934 3.534 -5.689 29 HA MET 340 HA MET 340 32.696 1.890 -3.414 30 HB2 MET 340 HB2 MET 340 34.700 0.755 -4.272 31 HB3 MET 340 HB1 MET 340 33.555 1.085 -5.573 32 HG2 MET 340 HG2 MET 340 35.560 1.817 -6.519 33 HG3 MET 340 HG1 MET 340 34.920 3.312 -5.837 34 HE1 MET 340 HE1 MET 340 37.851 3.552 -6.417 35 HE2 MET 340 HE2 MET 340 38.377 4.235 -4.880 36 HE3 MET 340 HE3 MET 340 36.802 4.671 -5.537 37 H ALA 341 HN ALA 341 33.992 4.908 -3.627 38 HA ALA 341 HA ALA 341 36.173 4.465 -1.724 39 HB1 ALA 341 HB1 ALA 341 35.200 6.989 -3.077 40 HB2 ALA 341 HB2 ALA 341 36.549 5.988 -3.616 41 HB3 ALA 341 HB3 ALA 341 36.649 6.850 -2.080 42 H TYR 342 HN TYR 342 32.990 5.965 -1.939 43 HA TYR 342 HA TYR 342 33.190 6.903 0.821 44 HD1 TYR 342 HD2 TYR 342 29.576 7.372 1.268 45 HD2 TYR 342 HD1 TYR 342 30.689 6.778 -2.836 46 HE1 TYR 342 HE2 TYR 342 27.309 6.499 0.779 47 HE2 TYR 342 HE1 TYR 342 28.425 5.904 -3.326 48 HH TYR 342 HH TYR 342 26.392 5.512 -2.524 49 HB2 TYR 342 HB2 TYR 342 31.605 8.432 0.285 50 HB3 TYR 342 HB1 TYR 342 32.094 8.054 -1.370 51 H LEU 343 HN LEU 343 31.044 4.790 -1.137 52 HA LEU 343 HA LEU 343 29.435 4.024 1.054 53 HG LEU 343 HG LEU 343 31.229 2.540 -1.646 54 HB2 LEU 343 HB2 LEU 343 28.581 2.255 -0.351 55 HB3 LEU 343 HB1 LEU 343 28.774 3.707 -1.324 56 HD11 LEU 343 HD11 LEU 343 30.143 0.530 -0.348 57 HD12 LEU 343 HD12 LEU 343 31.077 0.204 -1.804 58 HD13 LEU 343 HD13 LEU 343 29.317 0.225 -1.875 59 HD21 LEU 343 HD21 LEU 343 28.736 1.967 -3.283 60 HD22 LEU 343 HD22 LEU 343 30.397 1.866 -3.862 61 HD23 LEU 343 HD23 LEU 343 29.714 3.427 -3.416 62 H SER 344 HN SER 344 32.630 3.279 0.288 63 HA SER 344 HA SER 344 32.633 0.709 1.681 64 HG SER 344 HG SER 344 36.080 0.487 0.887 65 HB2 SER 344 HB2 SER 344 34.032 1.017 -0.344 66 HB3 SER 344 HB1 SER 344 34.929 2.283 0.488 67 H ALA 345 HN ALA 345 32.510 3.826 2.598 68 HA ALA 345 HA ALA 345 34.197 3.388 4.992 69 HB1 ALA 345 HB1 ALA 345 34.401 5.869 5.091 70 HB2 ALA 345 HB2 ALA 345 33.543 5.970 3.553 71 HB3 ALA 345 HB3 ALA 345 35.118 5.180 3.633 72 H GLU 346 HN GLU 346 31.159 3.106 4.138 73 HA GLU 346 HA GLU 346 30.163 4.077 6.719 74 HB2 GLU 346 HB2 GLU 346 28.138 5.030 5.592 75 HB3 GLU 346 HB1 GLU 346 29.625 5.913 5.240 76 HG2 GLU 346 HG2 GLU 346 29.468 5.457 3.041 77 HG3 GLU 346 HG1 GLU 346 29.234 3.739 3.358 78 H LEU 347 HN LEU 347 30.556 1.548 6.600 79 HA LEU 347 HA LEU 347 27.907 0.376 6.096 80 HG LEU 347 HG LEU 347 31.321 -0.450 6.193 81 HB2 LEU 347 HB2 LEU 347 29.004 -1.683 5.217 82 HB3 LEU 347 HB1 LEU 347 29.235 -0.277 4.177 83 HD11 LEU 347 HD11 LEU 347 32.427 -2.463 5.306 84 HD12 LEU 347 HD12 LEU 347 31.041 -2.771 4.261 85 HD13 LEU 347 HD13 LEU 347 30.866 -2.875 6.013 86 HD21 LEU 347 HD21 LEU 347 32.742 -0.253 4.179 87 HD22 LEU 347 HD22 LEU 347 31.419 0.913 4.140 88 HD23 LEU 347 HD23 LEU 347 31.332 -0.553 3.162 89 H PHE 348 HN PHE 348 30.123 1.119 8.288 90 HA PHE 348 HA PHE 348 29.441 -1.174 10.019 91 HD1 PHE 348 HD1 PHE 348 31.933 0.989 7.882 92 HD2 PHE 348 HD2 PHE 348 33.017 0.404 11.996 93 HE1 PHE 348 HE1 PHE 348 33.317 3.031 7.799 94 HE2 PHE 348 HE2 PHE 348 34.411 2.452 11.915 95 HZ PHE 348 HZ PHE 348 34.564 3.767 9.819 96 HB2 PHE 348 HB2 PHE 348 31.682 -1.196 10.931 97 HB3 PHE 348 HB1 PHE 348 31.803 -1.341 9.177 98 H HIS 349 HN HIS 349 29.679 2.163 9.479 99 HA HIS 349 HA HIS 349 29.888 3.057 12.187 100 HD2 HIS 349 HD2 HIS 349 28.441 2.771 8.305 101 HE1 HIS 349 HE1 HIS 349 26.207 6.336 7.950 102 HE2 HIS 349 HE2 HIS 349 26.610 4.040 6.943 103 HB2 HIS 349 HB2 HIS 349 29.400 5.240 11.297 104 HB3 HIS 349 HB1 HIS 349 30.469 4.417 10.161 105 H LEU 350 HN LEU 350 27.460 1.442 10.596 106 HA LEU 350 HA LEU 350 25.463 2.404 12.540 107 HG LEU 350 HG LEU 350 25.978 4.170 10.284 108 HB2 LEU 350 HB2 LEU 350 25.011 1.970 9.579 109 HB3 LEU 350 HB1 LEU 350 23.718 2.200 10.753 110 HD11 LEU 350 HD11 LEU 350 24.118 5.551 9.249 111 HD12 LEU 350 HD12 LEU 350 23.134 4.087 9.253 112 HD13 LEU 350 HD13 LEU 350 24.620 4.148 8.305 113 HD21 LEU 350 HD21 LEU 350 23.748 3.972 12.222 114 HD22 LEU 350 HD22 LEU 350 23.902 5.540 11.433 115 HD23 LEU 350 HD23 LEU 350 25.261 4.869 12.333 116 H SER 351 HN SER 351 26.853 0.235 13.147 117 HA SER 351 HA SER 351 26.142 -2.236 12.094 118 HG SER 351 HG SER 351 26.664 -1.771 15.996 119 HB2 SER 351 HB2 SER 351 26.636 -3.116 14.403 120 HB3 SER 351 HB1 SER 351 27.900 -2.097 13.722 121 H GLY 352 HN GLY 352 24.053 -2.636 11.588 122 HA2 GLY 352 HA2 GLY 352 22.180 -3.794 12.963 123 HA3 GLY 352 HA1 GLY 352 21.977 -2.173 13.627 124 H ILE 353 HN ILE 353 22.523 -0.695 11.312 125 HA ILE 353 HA ILE 353 20.056 -1.172 9.790 126 HB ILE 353 HB ILE 353 21.873 1.238 9.668 127 HG12 ILE 353 HG12 ILE 353 21.222 1.042 11.981 128 HG13 ILE 353 HG11 ILE 353 20.179 2.263 11.254 129 HG21 ILE 353 HG21 ILE 353 19.773 2.330 8.900 130 HG22 ILE 353 HG22 ILE 353 18.959 0.768 8.977 131 HG23 ILE 353 HG23 ILE 353 20.277 1.019 7.833 132 HD11 ILE 353 HD11 ILE 353 19.505 -0.581 11.993 133 HD12 ILE 353 HD12 ILE 353 18.537 0.304 10.816 134 HD13 ILE 353 HD13 ILE 353 18.681 0.903 12.468 135 H MET 354 HN MET 354 23.520 -0.721 9.417 136 HA MET 354 HA MET 354 23.582 -0.839 6.582 137 HB2 MET 354 HB2 MET 354 26.003 -1.095 6.861 138 HB3 MET 354 HB1 MET 354 25.382 0.187 7.903 139 HG2 MET 354 HG2 MET 354 26.713 -1.006 9.399 140 HG3 MET 354 HG1 MET 354 25.138 -1.756 9.661 141 HE1 MET 354 HE1 MET 354 26.570 -4.060 10.682 142 HE2 MET 354 HE2 MET 354 27.774 -2.787 10.500 143 HE3 MET 354 HE3 MET 354 28.110 -4.402 9.882 144 H ALA 355 HN ALA 355 23.523 -3.228 9.090 145 HA ALA 355 HA ALA 355 24.535 -5.388 7.487 146 HB1 ALA 355 HB1 ALA 355 24.758 -6.212 9.562 147 HB2 ALA 355 HB2 ALA 355 23.012 -6.460 9.584 148 HB3 ALA 355 HB3 ALA 355 23.701 -4.967 10.226 149 H LEU 356 HN LEU 356 21.614 -3.712 7.668 150 HA LEU 356 HA LEU 356 20.179 -5.914 6.311 151 HG LEU 356 HG LEU 356 20.140 -3.269 8.772 152 HB2 LEU 356 HB2 LEU 356 18.295 -4.045 7.244 153 HB3 LEU 356 HB1 LEU 356 18.560 -5.680 7.843 154 HD11 LEU 356 HD11 LEU 356 18.493 -4.227 10.845 155 HD12 LEU 356 HD12 LEU 356 17.448 -4.148 9.427 156 HD13 LEU 356 HD13 LEU 356 18.307 -2.708 9.971 157 HD21 LEU 356 HD21 LEU 356 21.393 -4.794 9.866 158 HD22 LEU 356 HD22 LEU 356 20.491 -6.083 9.074 159 HD23 LEU 356 HD23 LEU 356 19.952 -5.459 10.632 160 H ILE 357 HN ILE 357 21.385 -2.724 6.154 161 HA ILE 357 HA ILE 357 19.836 -1.181 4.612 162 HB ILE 357 HB ILE 357 22.732 -1.706 4.619 163 HG12 ILE 357 HG12 ILE 357 21.075 0.825 4.340 164 HG13 ILE 357 HG11 ILE 357 21.551 0.105 5.875 165 HG21 ILE 357 HG21 ILE 357 22.492 -1.898 2.213 166 HG22 ILE 357 HG22 ILE 357 23.103 -0.288 2.555 167 HG23 ILE 357 HG23 ILE 357 21.403 -0.508 2.162 168 HD11 ILE 357 HD11 ILE 357 23.940 0.286 4.437 169 HD12 ILE 357 HD12 ILE 357 23.429 1.349 5.749 170 HD13 ILE 357 HD13 ILE 357 23.097 1.793 4.075 171 H ALA 358 HN ALA 358 21.533 -4.046 3.404 172 HA ALA 358 HA ALA 358 20.245 -3.784 0.793 173 HB1 ALA 358 HB1 ALA 358 21.899 -6.156 1.514 174 HB2 ALA 358 HB2 ALA 358 22.709 -4.594 1.389 175 HB3 ALA 358 HB3 ALA 358 21.832 -5.247 0.005 176 H SER 359 HN SER 359 20.020 -5.687 3.718 177 HA SER 359 HA SER 359 18.232 -7.644 2.528 178 HG SER 359 HG SER 359 17.925 -9.295 3.687 179 HB2 SER 359 HB2 SER 359 19.913 -7.641 4.738 180 HB3 SER 359 HB1 SER 359 18.299 -7.571 5.441 181 H GLY 360 HN GLY 360 17.843 -4.513 3.376 182 HA2 GLY 360 HA2 GLY 360 14.966 -4.884 3.830 183 HA3 GLY 360 HA1 GLY 360 15.868 -3.929 5.003 184 H VAL 361 HN VAL 361 15.665 -4.167 1.444 185 HA VAL 361 HA VAL 361 14.674 -1.521 1.126 186 HB VAL 361 HB VAL 361 17.199 -1.289 1.802 187 HG11 VAL 361 HG11 VAL 361 18.780 -1.589 0.082 188 HG12 VAL 361 HG12 VAL 361 17.541 -1.661 -1.169 189 HG13 VAL 361 HG13 VAL 361 17.756 -3.018 -0.063 190 HG21 VAL 361 HG21 VAL 361 15.624 0.084 -0.342 191 HG22 VAL 361 HG22 VAL 361 17.317 0.536 -0.138 192 HG23 VAL 361 HG23 VAL 361 16.189 0.711 1.207 193 H VAL 362 HN VAL 362 14.960 -4.532 0.159 194 HA VAL 362 HA VAL 362 14.946 -3.957 -2.737 195 HB VAL 362 HB VAL 362 14.967 -6.723 -1.584 196 HG11 VAL 362 HG11 VAL 362 16.261 -7.159 -3.639 197 HG12 VAL 362 HG12 VAL 362 16.224 -5.441 -4.031 198 HG13 VAL 362 HG13 VAL 362 14.729 -6.375 -4.023 199 HG21 VAL 362 HG21 VAL 362 17.485 -6.568 -1.613 200 HG22 VAL 362 HG22 VAL 362 16.725 -5.617 -0.337 201 HG23 VAL 362 HG23 VAL 362 17.320 -4.822 -1.794 202 H MET 363 HN MET 363 12.739 -3.490 -0.768 203 HA MET 363 HA MET 363 10.683 -5.165 -2.083 204 HB2 MET 363 HB2 MET 363 11.084 -4.487 0.793 205 HB3 MET 363 HB1 MET 363 9.431 -4.596 0.186 206 HG2 MET 363 HG2 MET 363 9.852 -6.856 -0.651 207 HG3 MET 363 HG1 MET 363 11.541 -6.751 -0.149 208 HE1 MET 363 HE1 MET 363 10.674 -9.118 0.763 209 HE2 MET 363 HE2 MET 363 10.670 -9.191 2.523 210 HE3 MET 363 HE3 MET 363 12.013 -8.420 1.685 211 H ARG 364 HN ARG 364 10.852 -2.275 0.001 212 HA ARG 364 HA ARG 364 9.152 -0.866 -1.966 213 HE ARG 364 HE ARG 364 9.687 -0.682 3.996 214 HB2 ARG 364 HB2 ARG 364 8.117 0.325 -0.088 215 HB3 ARG 364 HB1 ARG 364 7.891 -1.418 0.073 216 HG2 ARG 364 HG2 ARG 364 10.353 -0.847 1.326 217 HG3 ARG 364 HG1 ARG 364 9.238 0.409 1.866 218 HD2 ARG 364 HD2 ARG 364 7.586 -1.353 2.461 219 HD3 ARG 364 HD1 ARG 364 8.759 -2.581 1.996 220 HH11 ARG 364 HH21 ARG 364 8.171 -3.711 3.288 221 HH12 ARG 364 HH22 ARG 364 8.549 -4.417 4.824 222 HH21 ARG 364 HH11 ARG 364 10.187 -1.601 6.012 223 HH22 ARG 364 HH12 ARG 364 9.691 -3.222 6.366 224 HA PRO 365 HA PRO 365 13.239 1.359 -0.970 225 HB2 PRO 365 HB2 PRO 365 14.087 1.446 -3.600 226 HB3 PRO 365 HB1 PRO 365 14.567 0.197 -2.436 227 HG2 PRO 365 HG2 PRO 365 12.468 0.107 -4.548 228 HG3 PRO 365 HG1 PRO 365 13.621 -1.144 -4.048 229 HD2 PRO 365 HD2 PRO 365 11.037 -1.206 -3.269 230 HD3 PRO 365 HD1 PRO 365 12.346 -1.769 -2.204 231 H LYS 366 HN LYS 366 11.079 1.637 -3.783 232 HA LYS 366 HA LYS 366 10.122 3.450 -4.819 233 HB2 LYS 366 HB2 LYS 366 10.401 4.771 -2.112 234 HB3 LYS 366 HB1 LYS 366 9.236 5.164 -3.377 235 HG2 LYS 366 HG2 LYS 366 8.219 2.936 -3.155 236 HG3 LYS 366 HG1 LYS 366 9.397 2.513 -1.912 237 HD2 LYS 366 HD2 LYS 366 7.908 5.032 -1.447 238 HD3 LYS 366 HD1 LYS 366 6.950 3.554 -1.355 239 HE2 LYS 366 HE2 LYS 366 7.908 4.151 0.850 240 HE3 LYS 366 HE1 LYS 366 8.534 2.608 0.269 241 HZ1 LYS 366 HZ1 LYS 366 10.573 3.510 -0.212 242 HZ2 LYS 366 HZ2 LYS 366 10.152 4.390 1.178 243 HZ3 LYS 366 HZ3 LYS 366 9.977 5.090 -0.360 244 H LYS 367 HN LYS 367 13.085 3.217 -4.705 245 HA LYS 367 HA LYS 367 14.921 4.418 -5.381 246 HB2 LYS 367 HB2 LYS 367 13.063 6.658 -6.147 247 HB3 LYS 367 HB1 LYS 367 14.568 6.159 -6.920 248 HG2 LYS 367 HG2 LYS 367 13.338 3.909 -7.354 249 HG3 LYS 367 HG1 LYS 367 11.868 4.827 -7.024 250 HD2 LYS 367 HD2 LYS 367 12.490 6.453 -8.779 251 HD3 LYS 367 HD1 LYS 367 13.951 5.522 -9.118 252 HE2 LYS 367 HE2 LYS 367 11.259 4.181 -9.199 253 HE3 LYS 367 HE1 LYS 367 11.827 5.110 -10.587 254 HZ1 LYS 367 HZ1 LYS 367 12.571 2.517 -9.786 255 HZ2 LYS 367 HZ2 LYS 367 13.941 3.520 -9.735 256 HZ3 LYS 367 HZ3 LYS 367 13.043 3.375 -11.171 257 H1 ACE 336 HA2 ACE 336 38.091 10.466 -8.501 258 H2 ACE 336 HA3 ACE 336 36.485 9.795 -8.789 259 H3 ACE 336 HA1 ACE 336 37.917 8.790 -9.019 260 HN1 NH2 368 HN1 NH2 368 16.302 6.270 -4.709 261 HN2 NH2 368 HN2 NH2 368 15.898 7.156 -3.319 Start of MODEL 5 1 HA LYS 337 HA LYS 337 36.553 8.032 -4.542 2 H1 LYS 337 HN LYS 337 35.835 9.956 -6.534 3 HB2 LYS 337 HB2 LYS 337 37.004 9.453 -2.690 4 HB3 LYS 337 HB1 LYS 337 38.047 10.007 -3.995 5 HG2 LYS 337 HG2 LYS 337 35.451 11.271 -3.061 6 HG3 LYS 337 HG1 LYS 337 37.069 11.960 -2.980 7 HD2 LYS 337 HD2 LYS 337 37.113 11.746 -5.542 8 HD3 LYS 337 HD1 LYS 337 35.369 11.489 -5.429 9 HE2 LYS 337 HE2 LYS 337 36.865 13.889 -4.336 10 HE3 LYS 337 HE1 LYS 337 35.893 13.873 -5.807 11 HZ1 LYS 337 HZ1 LYS 337 35.043 13.785 -3.013 12 HZ2 LYS 337 HZ2 LYS 337 34.117 12.915 -4.140 13 HZ3 LYS 337 HZ3 LYS 337 34.344 14.588 -4.332 14 H SER 338 HN SER 338 34.310 9.050 -6.316 15 HA SER 338 HA SER 338 32.247 9.424 -4.230 16 HG SER 338 HG SER 338 30.060 10.829 -6.379 17 HB2 SER 338 HB2 SER 338 32.599 11.158 -6.126 18 HB3 SER 338 HB1 SER 338 31.818 9.960 -7.154 19 H TYR 339 HN TYR 339 32.830 6.903 -4.218 20 HA TYR 339 HA TYR 339 30.512 5.566 -5.026 21 HD1 TYR 339 HD1 TYR 339 34.212 5.451 -5.407 22 HD2 TYR 339 HD2 TYR 339 32.181 6.240 -9.110 23 HE1 TYR 339 HE1 TYR 339 36.248 6.530 -6.288 24 HE2 TYR 339 HE2 TYR 339 34.230 7.321 -9.996 25 HH TYR 339 HH TYR 339 36.292 8.006 -9.533 26 HB2 TYR 339 HB2 TYR 339 31.877 4.048 -6.775 27 HB3 TYR 339 HB1 TYR 339 30.959 5.464 -7.255 28 H MET 340 HN MET 340 33.165 3.555 -5.729 29 HA MET 340 HA MET 340 32.793 1.891 -3.502 30 HB2 MET 340 HB2 MET 340 34.983 0.883 -4.193 31 HB3 MET 340 HB1 MET 340 33.819 1.028 -5.508 32 HG2 MET 340 HG2 MET 340 35.834 1.836 -6.446 33 HG3 MET 340 HG1 MET 340 34.961 3.301 -6.005 34 HE1 MET 340 HE1 MET 340 38.602 3.721 -5.938 35 HE2 MET 340 HE2 MET 340 37.700 5.044 -5.205 36 HE3 MET 340 HE3 MET 340 37.018 4.178 -6.577 37 H ALA 341 HN ALA 341 34.109 4.927 -3.587 38 HA ALA 341 HA ALA 341 36.114 4.464 -1.508 39 HB1 ALA 341 HB1 ALA 341 36.636 6.838 -1.803 40 HB2 ALA 341 HB2 ALA 341 35.253 7.014 -2.886 41 HB3 ALA 341 HB3 ALA 341 36.623 6.008 -3.360 42 H TYR 342 HN TYR 342 32.938 5.923 -1.946 43 HA TYR 342 HA TYR 342 32.936 6.868 0.819 44 HD1 TYR 342 HD2 TYR 342 29.269 7.226 0.990 45 HD2 TYR 342 HD1 TYR 342 30.734 6.713 -3.013 46 HE1 TYR 342 HE2 TYR 342 27.077 6.293 0.307 47 HE2 TYR 342 HE1 TYR 342 28.544 5.777 -3.697 48 HH TYR 342 HH TYR 342 26.600 4.823 -2.826 49 HB2 TYR 342 HB2 TYR 342 31.343 8.355 0.184 50 HB3 TYR 342 HB1 TYR 342 31.974 8.007 -1.430 51 H LEU 343 HN LEU 343 30.976 4.701 -1.270 52 HA LEU 343 HA LEU 343 29.239 3.900 0.809 53 HG LEU 343 HG LEU 343 31.250 2.594 -1.804 54 HB2 LEU 343 HB2 LEU 343 28.597 2.040 -0.646 55 HB3 LEU 343 HB1 LEU 343 28.683 3.544 -1.559 56 HD11 LEU 343 HD11 LEU 343 29.464 0.191 -2.190 57 HD12 LEU 343 HD12 LEU 343 30.328 0.457 -0.677 58 HD13 LEU 343 HD13 LEU 343 31.226 0.254 -2.180 59 HD21 LEU 343 HD21 LEU 343 28.857 2.018 -3.584 60 HD22 LEU 343 HD22 LEU 343 30.541 1.973 -4.101 61 HD23 LEU 343 HD23 LEU 343 29.812 3.498 -3.602 62 H SER 344 HN SER 344 32.495 3.194 0.205 63 HA SER 344 HA SER 344 32.460 0.662 1.671 64 HG SER 344 HG SER 344 34.709 -0.448 1.356 65 HB2 SER 344 HB2 SER 344 33.955 0.847 -0.264 66 HB3 SER 344 HB1 SER 344 34.748 2.241 0.462 67 H ALA 345 HN ALA 345 32.268 3.811 2.460 68 HA ALA 345 HA ALA 345 33.834 3.490 4.952 69 HB1 ALA 345 HB1 ALA 345 34.788 5.252 3.581 70 HB2 ALA 345 HB2 ALA 345 33.977 5.978 4.970 71 HB3 ALA 345 HB3 ALA 345 33.202 6.000 3.384 72 H GLU 346 HN GLU 346 30.938 2.874 4.163 73 HA GLU 346 HA GLU 346 29.755 4.055 6.557 74 HB2 GLU 346 HB2 GLU 346 27.702 4.711 5.232 75 HB3 GLU 346 HB1 GLU 346 29.124 5.720 4.956 76 HG2 GLU 346 HG2 GLU 346 29.186 5.156 2.782 77 HG3 GLU 346 HG1 GLU 346 29.130 3.438 3.174 78 H LEU 347 HN LEU 347 30.476 1.461 6.294 79 HA LEU 347 HA LEU 347 27.884 0.074 5.957 80 HG LEU 347 HG LEU 347 31.355 -0.361 6.174 81 HB2 LEU 347 HB2 LEU 347 29.109 -1.908 5.194 82 HB3 LEU 347 HB1 LEU 347 29.430 -0.534 4.134 83 HD11 LEU 347 HD11 LEU 347 30.855 -2.686 6.797 84 HD12 LEU 347 HD12 LEU 347 32.446 -2.585 6.046 85 HD13 LEU 347 HD13 LEU 347 31.073 -3.193 5.123 86 HD21 LEU 347 HD21 LEU 347 31.744 0.272 3.868 87 HD22 LEU 347 HD22 LEU 347 31.477 -1.383 3.322 88 HD23 LEU 347 HD23 LEU 347 32.901 -0.991 4.285 89 H PHE 348 HN PHE 348 30.103 1.117 8.102 90 HA PHE 348 HA PHE 348 29.393 -0.991 10.033 91 HD1 PHE 348 HD1 PHE 348 31.707 1.975 9.194 92 HD2 PHE 348 HD2 PHE 348 33.147 -1.943 8.193 93 HE1 PHE 348 HE1 PHE 348 33.062 2.947 7.370 94 HE2 PHE 348 HE2 PHE 348 34.510 -0.972 6.365 95 HZ PHE 348 HZ PHE 348 34.470 1.472 5.952 96 HB2 PHE 348 HB2 PHE 348 31.889 -0.304 10.882 97 HB3 PHE 348 HB1 PHE 348 31.542 -1.713 9.878 98 H HIS 349 HN HIS 349 29.582 2.239 9.181 99 HA HIS 349 HA HIS 349 30.163 3.551 11.575 100 HD2 HIS 349 HD2 HIS 349 28.080 2.371 8.232 101 HE1 HIS 349 HE1 HIS 349 25.119 5.349 7.800 102 HE2 HIS 349 HE2 HIS 349 25.834 3.022 7.074 103 HB2 HIS 349 HB2 HIS 349 28.929 5.452 10.634 104 HB3 HIS 349 HB1 HIS 349 29.973 4.713 9.422 105 H LEU 350 HN LEU 350 27.603 1.481 10.865 106 HA LEU 350 HA LEU 350 26.074 2.480 13.196 107 HG LEU 350 HG LEU 350 25.735 3.547 10.375 108 HB2 LEU 350 HB2 LEU 350 24.945 1.209 10.690 109 HB3 LEU 350 HB1 LEU 350 24.015 1.732 12.092 110 HD11 LEU 350 HD11 LEU 350 22.813 2.853 10.360 111 HD12 LEU 350 HD12 LEU 350 23.910 3.084 8.998 112 HD13 LEU 350 HD13 LEU 350 23.320 4.479 9.902 113 HD21 LEU 350 HD21 LEU 350 25.636 4.753 12.326 114 HD22 LEU 350 HD22 LEU 350 24.220 3.886 12.915 115 HD23 LEU 350 HD23 LEU 350 24.034 5.171 11.723 116 H SER 351 HN SER 351 28.139 0.619 13.424 117 HA SER 351 HA SER 351 27.641 -2.055 13.177 118 HG SER 351 HG SER 351 28.654 -2.277 16.517 119 HB2 SER 351 HB2 SER 351 29.714 -1.447 14.125 120 HB3 SER 351 HB1 SER 351 28.952 -0.507 15.404 121 H GLY 352 HN GLY 352 25.619 -2.857 13.424 122 HA2 GLY 352 HA2 GLY 352 24.486 -3.972 15.468 123 HA3 GLY 352 HA1 GLY 352 24.167 -2.300 15.927 124 H ILE 353 HN ILE 353 23.720 -1.242 13.372 125 HA ILE 353 HA ILE 353 21.062 -2.354 12.803 126 HB ILE 353 HB ILE 353 22.253 0.221 11.771 127 HG12 ILE 353 HG12 ILE 353 22.353 0.387 14.173 128 HG13 ILE 353 HG11 ILE 353 20.924 1.279 13.654 129 HG21 ILE 353 HG21 ILE 353 19.367 -0.051 12.317 130 HG22 ILE 353 HG22 ILE 353 19.976 -1.116 11.049 131 HG23 ILE 353 HG23 ILE 353 20.190 0.629 10.913 132 HD11 ILE 353 HD11 ILE 353 19.646 -0.942 14.044 133 HD12 ILE 353 HD12 ILE 353 20.143 -0.021 15.462 134 HD13 ILE 353 HD13 ILE 353 21.070 -1.435 14.961 135 H MET 354 HN MET 354 24.099 -1.465 11.275 136 HA MET 354 HA MET 354 23.361 -2.139 8.620 137 HB2 MET 354 HB2 MET 354 25.754 -1.957 8.136 138 HB3 MET 354 HB1 MET 354 25.214 -0.607 9.134 139 HG2 MET 354 HG2 MET 354 27.002 -1.187 10.429 140 HG3 MET 354 HG1 MET 354 25.886 -2.397 11.063 141 HE1 MET 354 HE1 MET 354 28.727 -4.793 11.015 142 HE2 MET 354 HE2 MET 354 27.412 -3.988 11.866 143 HE3 MET 354 HE3 MET 354 28.877 -3.091 11.473 144 H ALA 355 HN ALA 355 24.519 -3.958 11.327 145 HA ALA 355 HA ALA 355 25.455 -6.215 9.814 146 HB1 ALA 355 HB1 ALA 355 24.834 -7.067 12.413 147 HB2 ALA 355 HB2 ALA 355 25.360 -5.391 12.587 148 HB3 ALA 355 HB3 ALA 355 26.416 -6.572 11.810 149 H LEU 356 HN LEU 356 22.428 -4.992 10.648 150 HA LEU 356 HA LEU 356 21.145 -7.609 10.138 151 HG LEU 356 HG LEU 356 21.260 -4.568 12.089 152 HB2 LEU 356 HB2 LEU 356 19.261 -5.905 11.342 153 HB3 LEU 356 HB1 LEU 356 20.015 -7.329 12.054 154 HD11 LEU 356 HD11 LEU 356 20.498 -5.340 14.687 155 HD12 LEU 356 HD12 LEU 356 19.103 -5.702 13.671 156 HD13 LEU 356 HD13 LEU 356 19.765 -4.069 13.709 157 HD21 LEU 356 HD21 LEU 356 22.062 -6.342 14.207 158 HD22 LEU 356 HD22 LEU 356 23.057 -5.636 12.936 159 HD23 LEU 356 HD23 LEU 356 22.253 -7.180 12.667 160 H ILE 357 HN ILE 357 21.581 -4.364 9.161 161 HA ILE 357 HA ILE 357 19.363 -3.426 7.985 162 HB ILE 357 HB ILE 357 22.189 -3.456 7.144 163 HG12 ILE 357 HG12 ILE 357 20.028 -1.321 7.114 164 HG13 ILE 357 HG11 ILE 357 21.064 -1.672 8.494 165 HG21 ILE 357 HG21 ILE 357 21.615 -2.372 4.922 166 HG22 ILE 357 HG22 ILE 357 19.971 -2.963 5.126 167 HG23 ILE 357 HG23 ILE 357 21.314 -4.103 4.983 168 HD11 ILE 357 HD11 ILE 357 22.845 -1.355 6.361 169 HD12 ILE 357 HD12 ILE 357 22.525 -0.181 7.638 170 HD13 ILE 357 HD13 ILE 357 21.638 -0.092 6.116 171 H ALA 358 HN ALA 358 21.274 -6.103 6.654 172 HA ALA 358 HA ALA 358 19.281 -6.586 4.579 173 HB1 ALA 358 HB1 ALA 358 20.880 -7.840 3.527 174 HB2 ALA 358 HB2 ALA 358 21.518 -8.489 5.038 175 HB3 ALA 358 HB3 ALA 358 21.947 -6.855 4.528 176 H SER 359 HN SER 359 20.232 -7.839 7.682 177 HA SER 359 HA SER 359 18.694 -10.291 7.377 178 HG SER 359 HG SER 359 19.252 -11.677 8.491 179 HB2 SER 359 HB2 SER 359 20.865 -9.598 8.921 180 HB3 SER 359 HB1 SER 359 19.543 -9.552 10.085 181 H GLY 360 HN GLY 360 17.841 -7.177 7.797 182 HA2 GLY 360 HA2 GLY 360 15.425 -7.915 9.325 183 HA3 GLY 360 HA1 GLY 360 16.310 -6.448 9.722 184 H VAL 361 HN VAL 361 15.547 -7.863 6.550 185 HA VAL 361 HA VAL 361 13.463 -6.034 5.939 186 HB VAL 361 HB VAL 361 15.484 -4.512 5.952 187 HG11 VAL 361 HG11 VAL 361 17.104 -4.689 4.207 188 HG12 VAL 361 HG12 VAL 361 16.175 -5.932 3.371 189 HG13 VAL 361 HG13 VAL 361 16.971 -6.306 4.900 190 HG21 VAL 361 HG21 VAL 361 14.055 -4.870 3.297 191 HG22 VAL 361 HG22 VAL 361 14.820 -3.388 3.874 192 HG23 VAL 361 HG23 VAL 361 13.393 -4.021 4.694 193 H VAL 362 HN VAL 362 16.140 -7.941 4.593 194 HA VAL 362 HA VAL 362 16.243 -9.255 2.688 195 HB VAL 362 HB VAL 362 13.584 -10.114 3.855 196 HG11 VAL 362 HG11 VAL 362 15.255 -11.089 1.629 197 HG12 VAL 362 HG12 VAL 362 13.557 -11.404 1.983 198 HG13 VAL 362 HG13 VAL 362 14.815 -12.333 2.798 199 HG21 VAL 362 HG21 VAL 362 14.836 -11.638 5.205 200 HG22 VAL 362 HG22 VAL 362 15.633 -10.076 5.385 201 HG23 VAL 362 HG23 VAL 362 16.327 -11.303 4.324 202 H MET 363 HN MET 363 14.772 -6.606 2.448 203 HA MET 363 HA MET 363 13.370 -5.504 0.970 204 HB2 MET 363 HB2 MET 363 14.229 -7.341 -1.200 205 HB3 MET 363 HB1 MET 363 14.257 -5.579 -1.135 206 HG2 MET 363 HG2 MET 363 16.100 -5.911 0.681 207 HG3 MET 363 HG1 MET 363 16.237 -7.536 0.010 208 HE1 MET 363 HE1 MET 363 19.041 -6.836 -2.181 209 HE2 MET 363 HE2 MET 363 17.845 -8.075 -1.808 210 HE3 MET 363 HE3 MET 363 18.627 -7.193 -0.499 211 H ARG 364 HN ARG 364 12.342 -6.680 -1.514 212 HA ARG 364 HA ARG 364 10.605 -8.861 -0.804 213 HE ARG 364 HE ARG 364 6.835 -10.100 -0.174 214 HB2 ARG 364 HB2 ARG 364 9.611 -6.755 0.306 215 HB3 ARG 364 HB1 ARG 364 9.211 -6.246 -1.334 216 HG2 ARG 364 HG2 ARG 364 7.306 -7.443 -0.989 217 HG3 ARG 364 HG1 ARG 364 8.329 -8.830 -1.364 218 HD2 ARG 364 HD2 ARG 364 8.913 -8.829 1.154 219 HD3 ARG 364 HD1 ARG 364 7.507 -7.785 1.342 220 HH11 ARG 364 HH21 ARG 364 7.571 -8.978 3.015 221 HH12 ARG 364 HH22 ARG 364 6.638 -10.200 3.812 222 HH21 ARG 364 HH11 ARG 364 5.609 -11.707 0.863 223 HH22 ARG 364 HH12 ARG 364 5.527 -11.746 2.593 224 HA PRO 365 HA PRO 365 11.256 -8.160 -5.317 225 HB2 PRO 365 HB2 PRO 365 12.551 -10.480 -5.858 226 HB3 PRO 365 HB1 PRO 365 13.387 -9.043 -5.237 227 HG2 PRO 365 HG2 PRO 365 12.614 -11.532 -3.835 228 HG3 PRO 365 HG1 PRO 365 13.999 -10.467 -3.569 229 HD2 PRO 365 HD2 PRO 365 11.641 -10.518 -2.044 230 HD3 PRO 365 HD1 PRO 365 12.872 -9.237 -2.017 231 H LYS 366 HN LYS 366 10.398 -11.216 -3.700 232 HA LYS 366 HA LYS 366 8.751 -12.763 -4.113 233 HB2 LYS 366 HB2 LYS 366 7.382 -10.598 -5.712 234 HB3 LYS 366 HB1 LYS 366 6.639 -11.960 -4.871 235 HG2 LYS 366 HG2 LYS 366 7.384 -11.036 -2.708 236 HG3 LYS 366 HG1 LYS 366 8.131 -9.675 -3.545 237 HD2 LYS 366 HD2 LYS 366 5.249 -10.241 -4.101 238 HD3 LYS 366 HD1 LYS 366 5.662 -9.498 -2.555 239 HE2 LYS 366 HE2 LYS 366 6.564 -8.445 -5.252 240 HE3 LYS 366 HE1 LYS 366 5.188 -7.816 -4.345 241 HZ1 LYS 366 HZ1 LYS 366 7.659 -6.872 -4.104 242 HZ2 LYS 366 HZ2 LYS 366 7.680 -8.044 -2.875 243 HZ3 LYS 366 HZ3 LYS 366 6.513 -6.809 -2.854 244 H LYS 367 HN LYS 367 10.937 -12.963 -5.758 245 HA LYS 367 HA LYS 367 11.665 -13.840 -7.754 246 HB2 LYS 367 HB2 LYS 367 8.813 -14.830 -7.673 247 HB3 LYS 367 HB1 LYS 367 9.957 -15.314 -8.925 248 HG2 LYS 367 HG2 LYS 367 11.516 -16.100 -7.138 249 HG3 LYS 367 HG1 LYS 367 10.280 -15.721 -5.938 250 HD2 LYS 367 HD2 LYS 367 8.761 -17.220 -7.511 251 HD3 LYS 367 HD1 LYS 367 10.317 -17.893 -7.997 252 HE2 LYS 367 HE2 LYS 367 9.027 -17.904 -5.278 253 HE3 LYS 367 HE1 LYS 367 9.712 -19.255 -6.181 254 HZ1 LYS 367 HZ1 LYS 367 11.892 -17.932 -5.956 255 HZ2 LYS 367 HZ2 LYS 367 11.326 -18.809 -4.615 256 HZ3 LYS 367 HZ3 LYS 367 11.102 -17.128 -4.690 257 H1 ACE 336 HA2 ACE 336 38.413 8.987 -8.591 258 H2 ACE 336 HA3 ACE 336 38.446 10.652 -8.010 259 H3 ACE 336 HA1 ACE 336 36.913 9.905 -8.461 260 HN1 NH2 368 HN1 NH2 368 8.590 -13.692 -9.362 261 HN2 NH2 368 HN2 NH2 368 8.932 -12.336 -10.324 Start of MODEL 6 1 HA LYS 337 HA LYS 337 36.615 8.085 -4.485 2 H1 LYS 337 HN LYS 337 35.875 9.821 -6.611 3 HB2 LYS 337 HB2 LYS 337 37.036 9.619 -2.714 4 HB3 LYS 337 HB1 LYS 337 38.091 10.096 -4.039 5 HG2 LYS 337 HG2 LYS 337 35.482 11.404 -3.210 6 HG3 LYS 337 HG1 LYS 337 37.096 12.104 -3.153 7 HD2 LYS 337 HD2 LYS 337 37.164 11.737 -5.699 8 HD3 LYS 337 HD1 LYS 337 35.421 11.480 -5.587 9 HE2 LYS 337 HE2 LYS 337 35.669 13.797 -6.049 10 HE3 LYS 337 HE1 LYS 337 35.339 13.710 -4.319 11 HZ1 LYS 337 HZ1 LYS 337 38.113 13.662 -5.308 12 HZ2 LYS 337 HZ2 LYS 337 37.526 14.145 -3.789 13 HZ3 LYS 337 HZ3 LYS 337 37.293 15.138 -5.147 14 H SER 338 HN SER 338 34.361 8.945 -6.319 15 HA SER 338 HA SER 338 32.291 9.370 -4.245 16 HG SER 338 HG SER 338 33.223 10.929 -7.491 17 HB2 SER 338 HB2 SER 338 30.906 10.162 -6.256 18 HB3 SER 338 HB1 SER 338 32.183 11.231 -5.683 19 H TYR 339 HN TYR 339 32.795 6.872 -4.175 20 HA TYR 339 HA TYR 339 30.512 5.536 -5.039 21 HD1 TYR 339 HD1 TYR 339 34.199 5.457 -5.350 22 HD2 TYR 339 HD2 TYR 339 32.254 6.147 -9.117 23 HE1 TYR 339 HE1 TYR 339 36.245 6.545 -6.203 24 HE2 TYR 339 HE2 TYR 339 34.310 7.235 -9.975 25 HH TYR 339 HH TYR 339 37.148 7.707 -7.882 26 HB2 TYR 339 HB2 TYR 339 31.911 4.001 -6.754 27 HB3 TYR 339 HB1 TYR 339 30.990 5.407 -7.260 28 H MET 340 HN MET 340 33.216 3.540 -5.682 29 HA MET 340 HA MET 340 32.766 1.908 -3.423 30 HB2 MET 340 HB2 MET 340 34.835 0.757 -4.097 31 HB3 MET 340 HB1 MET 340 33.791 1.060 -5.486 32 HG2 MET 340 HG2 MET 340 35.823 1.799 -6.324 33 HG3 MET 340 HG1 MET 340 35.195 3.299 -5.644 34 HE1 MET 340 HE1 MET 340 38.609 4.127 -4.485 35 HE2 MET 340 HE2 MET 340 37.056 4.634 -5.145 36 HE3 MET 340 HE3 MET 340 38.087 3.550 -6.075 37 H ALA 341 HN ALA 341 34.064 4.918 -3.553 38 HA ALA 341 HA ALA 341 36.100 4.509 -1.489 39 HB1 ALA 341 HB1 ALA 341 35.198 6.980 -2.985 40 HB2 ALA 341 HB2 ALA 341 36.651 6.032 -3.308 41 HB3 ALA 341 HB3 ALA 341 36.507 6.941 -1.804 42 H TYR 342 HN TYR 342 32.921 5.959 -1.952 43 HA TYR 342 HA TYR 342 32.889 6.912 0.810 44 HD1 TYR 342 HD1 TYR 342 29.252 7.229 0.982 45 HD2 TYR 342 HD2 TYR 342 30.668 6.771 -3.049 46 HE1 TYR 342 HE1 TYR 342 27.057 6.291 0.316 47 HE2 TYR 342 HE2 TYR 342 28.474 5.833 -3.714 48 HH TYR 342 HH TYR 342 25.713 6.010 -1.700 49 HB2 TYR 342 HB2 TYR 342 31.307 8.398 0.144 50 HB3 TYR 342 HB1 TYR 342 31.936 8.028 -1.465 51 H LEU 343 HN LEU 343 30.946 4.748 -1.298 52 HA LEU 343 HA LEU 343 29.206 3.936 0.776 53 HG LEU 343 HG LEU 343 31.196 2.432 -1.776 54 HB2 LEU 343 HB2 LEU 343 28.447 2.201 -0.698 55 HB3 LEU 343 HB1 LEU 343 28.747 3.638 -1.668 56 HD11 LEU 343 HD11 LEU 343 29.986 0.458 -0.533 57 HD12 LEU 343 HD12 LEU 343 31.023 0.091 -1.909 58 HD13 LEU 343 HD13 LEU 343 29.272 0.138 -2.111 59 HD21 LEU 343 HD21 LEU 343 29.852 3.302 -3.680 60 HD22 LEU 343 HD22 LEU 343 28.825 1.874 -3.590 61 HD23 LEU 343 HD23 LEU 343 30.520 1.711 -4.039 62 H SER 344 HN SER 344 32.461 3.243 0.201 63 HA SER 344 HA SER 344 32.406 0.685 1.625 64 HG SER 344 HG SER 344 34.734 -0.394 1.341 65 HB2 SER 344 HB2 SER 344 33.914 0.835 -0.277 66 HB3 SER 344 HB1 SER 344 34.674 2.272 0.398 67 H ALA 345 HN ALA 345 32.261 3.841 2.443 68 HA ALA 345 HA ALA 345 33.818 3.468 4.934 69 HB1 ALA 345 HB1 ALA 345 33.200 5.995 3.390 70 HB2 ALA 345 HB2 ALA 345 34.782 5.245 3.602 71 HB3 ALA 345 HB3 ALA 345 33.954 5.963 4.984 72 H GLU 346 HN GLU 346 30.925 2.865 4.156 73 HA GLU 346 HA GLU 346 29.749 4.042 6.558 74 HB2 GLU 346 HB2 GLU 346 27.685 4.676 5.237 75 HB3 GLU 346 HB1 GLU 346 29.097 5.695 4.953 76 HG2 GLU 346 HG2 GLU 346 29.160 5.124 2.783 77 HG3 GLU 346 HG1 GLU 346 29.117 3.406 3.180 78 H LEU 347 HN LEU 347 30.492 1.448 6.288 79 HA LEU 347 HA LEU 347 27.908 0.044 5.972 80 HG LEU 347 HG LEU 347 31.386 -0.401 6.189 81 HB2 LEU 347 HB2 LEU 347 29.122 -1.926 5.189 82 HB3 LEU 347 HB1 LEU 347 29.470 -0.547 4.146 83 HD11 LEU 347 HD11 LEU 347 30.831 -2.713 6.831 84 HD12 LEU 347 HD12 LEU 347 32.436 -2.643 6.104 85 HD13 LEU 347 HD13 LEU 347 31.067 -3.240 5.165 86 HD21 LEU 347 HD21 LEU 347 32.927 -1.104 4.309 87 HD22 LEU 347 HD22 LEU 347 31.818 0.200 3.888 88 HD23 LEU 347 HD23 LEU 347 31.490 -1.445 3.344 89 H PHE 348 HN PHE 348 30.130 1.101 8.109 90 HA PHE 348 HA PHE 348 29.433 -1.010 10.041 91 HD1 PHE 348 HD1 PHE 348 31.726 1.974 9.196 92 HD2 PHE 348 HD2 PHE 348 33.201 -1.937 8.214 93 HE1 PHE 348 HE1 PHE 348 33.084 2.950 7.377 94 HE2 PHE 348 HE2 PHE 348 34.567 -0.960 6.390 95 HZ PHE 348 HZ PHE 348 34.510 1.483 5.970 96 HB2 PHE 348 HB2 PHE 348 31.922 -0.305 10.892 97 HB3 PHE 348 HB1 PHE 348 31.586 -1.715 9.889 98 H HIS 349 HN HIS 349 29.619 2.224 9.192 99 HA HIS 349 HA HIS 349 30.188 3.540 11.579 100 HD2 HIS 349 HD2 HIS 349 28.117 2.331 8.250 101 HE1 HIS 349 HE1 HIS 349 25.149 5.291 7.760 102 HE2 HIS 349 HE2 HIS 349 25.883 2.963 7.059 103 HB2 HIS 349 HB2 HIS 349 28.917 5.429 10.646 104 HB3 HIS 349 HB1 HIS 349 29.984 4.711 9.442 105 H LEU 350 HN LEU 350 27.557 1.520 10.818 106 HA LEU 350 HA LEU 350 26.091 2.480 13.207 107 HG LEU 350 HG LEU 350 25.740 3.562 10.372 108 HB2 LEU 350 HB2 LEU 350 24.902 1.251 10.709 109 HB3 LEU 350 HB1 LEU 350 24.007 1.797 12.126 110 HD11 LEU 350 HD11 LEU 350 23.879 3.202 9.033 111 HD12 LEU 350 HD12 LEU 350 23.317 4.565 10.000 112 HD13 LEU 350 HD13 LEU 350 22.813 2.926 10.411 113 HD21 LEU 350 HD21 LEU 350 24.273 3.954 12.939 114 HD22 LEU 350 HD22 LEU 350 24.162 5.254 11.754 115 HD23 LEU 350 HD23 LEU 350 25.738 4.737 12.351 116 H SER 351 HN SER 351 28.115 0.625 13.454 117 HA SER 351 HA SER 351 27.629 -2.048 13.157 118 HG SER 351 HG SER 351 28.089 -2.414 16.297 119 HB2 SER 351 HB2 SER 351 29.681 -1.485 14.149 120 HB3 SER 351 HB1 SER 351 28.916 -0.508 15.398 121 H GLY 352 HN GLY 352 25.609 -2.862 13.358 122 HA2 GLY 352 HA2 GLY 352 24.447 -4.000 15.379 123 HA3 GLY 352 HA1 GLY 352 24.099 -2.331 15.832 124 H ILE 353 HN ILE 353 23.559 -1.165 13.434 125 HA ILE 353 HA ILE 353 20.981 -2.367 12.763 126 HB ILE 353 HB ILE 353 22.208 0.299 12.026 127 HG12 ILE 353 HG12 ILE 353 19.777 0.237 13.657 128 HG13 ILE 353 HG11 ILE 353 21.135 -0.571 14.441 129 HG21 ILE 353 HG21 ILE 353 19.473 0.464 11.677 130 HG22 ILE 353 HG22 ILE 353 19.836 -1.153 11.076 131 HG23 ILE 353 HG23 ILE 353 20.647 0.249 10.380 132 HD11 ILE 353 HD11 ILE 353 21.223 2.221 13.259 133 HD12 ILE 353 HD12 ILE 353 22.540 1.411 14.109 134 HD13 ILE 353 HD13 ILE 353 21.070 1.853 14.977 135 H MET 354 HN MET 354 23.996 -1.355 11.240 136 HA MET 354 HA MET 354 23.261 -2.098 8.585 137 HB2 MET 354 HB2 MET 354 25.597 -1.743 8.043 138 HB3 MET 354 HB1 MET 354 25.051 -0.453 9.115 139 HG2 MET 354 HG2 MET 354 27.021 -1.050 10.181 140 HG3 MET 354 HG1 MET 354 25.888 -2.128 10.998 141 HE1 MET 354 HE1 MET 354 27.378 -3.912 11.755 142 HE2 MET 354 HE2 MET 354 28.742 -2.904 11.278 143 HE3 MET 354 HE3 MET 354 28.719 -4.609 10.836 144 H ALA 355 HN ALA 355 24.377 -3.795 11.343 145 HA ALA 355 HA ALA 355 25.488 -6.043 9.905 146 HB1 ALA 355 HB1 ALA 355 26.443 -6.404 11.898 147 HB2 ALA 355 HB2 ALA 355 24.856 -6.725 12.599 148 HB3 ALA 355 HB3 ALA 355 25.503 -5.084 12.593 149 H LEU 356 HN LEU 356 22.397 -4.947 10.588 150 HA LEU 356 HA LEU 356 21.294 -7.651 10.141 151 HG LEU 356 HG LEU 356 21.006 -4.552 11.976 152 HB2 LEU 356 HB2 LEU 356 19.431 -7.114 11.655 153 HB3 LEU 356 HB1 LEU 356 20.975 -7.061 12.494 154 HD11 LEU 356 HD11 LEU 356 18.345 -3.905 12.027 155 HD12 LEU 356 HD12 LEU 356 18.332 -5.290 10.940 156 HD13 LEU 356 HD13 LEU 356 19.339 -3.893 10.574 157 HD21 LEU 356 HD21 LEU 356 19.655 -4.053 13.963 158 HD22 LEU 356 HD22 LEU 356 20.579 -5.533 14.217 159 HD23 LEU 356 HD23 LEU 356 18.861 -5.623 13.833 160 H ILE 357 HN ILE 357 21.587 -4.481 9.130 161 HA ILE 357 HA ILE 357 19.235 -3.566 8.181 162 HB ILE 357 HB ILE 357 22.010 -3.489 7.218 163 HG12 ILE 357 HG12 ILE 357 20.965 -1.670 8.517 164 HG13 ILE 357 HG11 ILE 357 21.498 -1.096 6.945 165 HG21 ILE 357 HG21 ILE 357 19.756 -3.121 5.225 166 HG22 ILE 357 HG22 ILE 357 21.138 -4.216 5.097 167 HG23 ILE 357 HG23 ILE 357 21.380 -2.476 5.000 168 HD11 ILE 357 HD11 ILE 357 18.830 -1.141 8.080 169 HD12 ILE 357 HD12 ILE 357 18.862 -1.975 6.529 170 HD13 ILE 357 HD13 ILE 357 19.412 -0.304 6.643 171 H ALA 358 HN ALA 358 21.148 -6.166 6.730 172 HA ALA 358 HA ALA 358 19.050 -6.721 4.773 173 HB1 ALA 358 HB1 ALA 358 20.594 -8.145 3.721 174 HB2 ALA 358 HB2 ALA 358 21.530 -8.371 5.198 175 HB3 ALA 358 HB3 ALA 358 21.594 -6.831 4.341 176 H SER 359 HN SER 359 20.079 -7.796 7.876 177 HA SER 359 HA SER 359 18.711 -10.368 7.657 178 HG SER 359 HG SER 359 19.741 -11.755 8.751 179 HB2 SER 359 HB2 SER 359 20.911 -9.685 9.037 180 HB3 SER 359 HB1 SER 359 19.700 -9.373 10.277 181 H GLY 360 HN GLY 360 17.743 -7.271 8.077 182 HA2 GLY 360 HA2 GLY 360 15.298 -8.115 9.458 183 HA3 GLY 360 HA1 GLY 360 16.199 -6.770 10.150 184 H VAL 361 HN VAL 361 15.152 -7.782 6.885 185 HA VAL 361 HA VAL 361 13.437 -5.554 6.508 186 HB VAL 361 HB VAL 361 15.883 -4.605 6.400 187 HG11 VAL 361 HG11 VAL 361 15.593 -5.482 3.531 188 HG12 VAL 361 HG12 VAL 361 16.436 -6.499 4.700 189 HG13 VAL 361 HG13 VAL 361 17.025 -4.872 4.360 190 HG21 VAL 361 HG21 VAL 361 15.021 -3.235 4.286 191 HG22 VAL 361 HG22 VAL 361 14.236 -3.065 5.856 192 HG23 VAL 361 HG23 VAL 361 13.525 -4.105 4.623 193 H VAL 362 HN VAL 362 14.358 -8.552 5.868 194 HA VAL 362 HA VAL 362 14.075 -8.809 3.052 195 HB VAL 362 HB VAL 362 13.692 -10.794 5.302 196 HG11 VAL 362 HG11 VAL 362 13.426 -11.035 2.324 197 HG12 VAL 362 HG12 VAL 362 12.483 -11.813 3.595 198 HG13 VAL 362 HG13 VAL 362 14.111 -12.384 3.231 199 HG21 VAL 362 HG21 VAL 362 15.894 -11.621 4.458 200 HG22 VAL 362 HG22 VAL 362 15.981 -9.965 5.059 201 HG23 VAL 362 HG23 VAL 362 15.934 -10.273 3.323 202 H MET 363 HN MET 363 11.841 -10.432 5.237 203 HA MET 363 HA MET 363 9.575 -10.807 5.020 204 HB2 MET 363 HB2 MET 363 9.804 -7.811 4.709 205 HB3 MET 363 HB1 MET 363 8.256 -8.645 4.854 206 HG2 MET 363 HG2 MET 363 9.011 -9.633 7.003 207 HG3 MET 363 HG1 MET 363 10.525 -8.739 6.865 208 HE1 MET 363 HE1 MET 363 7.790 -8.713 9.064 209 HE2 MET 363 HE2 MET 363 8.264 -7.145 9.715 210 HE3 MET 363 HE3 MET 363 9.497 -8.348 9.347 211 H ARG 364 HN ARG 364 7.566 -9.851 3.546 212 HA ARG 364 HA ARG 364 8.440 -9.953 0.731 213 HE ARG 364 HE ARG 364 8.239 -15.583 1.076 214 HB2 ARG 364 HB2 ARG 364 6.197 -11.596 1.929 215 HB3 ARG 364 HB1 ARG 364 6.640 -11.539 0.222 216 HG2 ARG 364 HG2 ARG 364 9.052 -12.100 1.451 217 HG3 ARG 364 HG1 ARG 364 7.899 -13.010 2.428 218 HD2 ARG 364 HD2 ARG 364 6.934 -13.868 0.221 219 HD3 ARG 364 HD1 ARG 364 8.370 -13.202 -0.550 220 HH11 ARG 364 HH21 ARG 364 10.198 -12.960 -0.046 221 HH12 ARG 364 HH22 ARG 364 11.694 -13.810 0.156 222 HH21 ARG 364 HH11 ARG 364 10.197 -16.703 1.345 223 HH22 ARG 364 HH12 ARG 364 11.694 -15.930 0.943 224 HA PRO 365 HA PRO 365 5.162 -6.715 1.788 225 HB2 PRO 365 HB2 PRO 365 6.655 -4.557 0.950 226 HB3 PRO 365 HB1 PRO 365 6.607 -5.140 2.624 227 HG2 PRO 365 HG2 PRO 365 8.656 -5.604 0.517 228 HG3 PRO 365 HG1 PRO 365 8.865 -5.312 2.251 229 HD2 PRO 365 HD2 PRO 365 9.061 -7.787 1.152 230 HD3 PRO 365 HD1 PRO 365 8.468 -7.525 2.806 231 H LYS 366 HN LYS 366 7.513 -6.528 -0.901 232 HA LYS 366 HA LYS 366 7.232 -6.262 -3.166 233 HB2 LYS 366 HB2 LYS 366 4.536 -7.546 -2.674 234 HB3 LYS 366 HB1 LYS 366 5.432 -7.505 -4.192 235 HG2 LYS 366 HG2 LYS 366 7.239 -8.830 -3.186 236 HG3 LYS 366 HG1 LYS 366 6.382 -8.846 -1.645 237 HD2 LYS 366 HD2 LYS 366 4.920 -9.798 -4.073 238 HD3 LYS 366 HD1 LYS 366 6.140 -10.860 -3.369 239 HE2 LYS 366 HE2 LYS 366 4.969 -11.121 -1.384 240 HE3 LYS 366 HE1 LYS 366 4.150 -9.567 -1.543 241 HZ1 LYS 366 HZ1 LYS 366 3.208 -10.828 -3.677 242 HZ2 LYS 366 HZ2 LYS 366 2.446 -10.878 -2.159 243 HZ3 LYS 366 HZ3 LYS 366 3.447 -12.159 -2.653 244 H LYS 367 HN LYS 367 5.789 -4.427 -1.019 245 HA LYS 367 HA LYS 367 4.386 -2.589 -1.031 246 HB2 LYS 367 HB2 LYS 367 5.405 -2.126 -3.824 247 HB3 LYS 367 HB1 LYS 367 5.070 -0.943 -2.558 248 HG2 LYS 367 HG2 LYS 367 6.934 -2.254 -1.241 249 HG3 LYS 367 HG1 LYS 367 7.422 -2.787 -2.850 250 HD2 LYS 367 HD2 LYS 367 7.489 -0.391 -3.570 251 HD3 LYS 367 HD1 LYS 367 7.152 0.080 -1.903 252 HE2 LYS 367 HE2 LYS 367 9.203 -0.961 -1.134 253 HE3 LYS 367 HE1 LYS 367 9.511 -1.630 -2.736 254 HZ1 LYS 367 HZ1 LYS 367 10.734 0.476 -2.146 255 HZ2 LYS 367 HZ2 LYS 367 9.240 1.279 -2.257 256 HZ3 LYS 367 HZ3 LYS 367 9.891 0.494 -3.617 257 H1 ACE 336 HA2 ACE 336 38.573 10.590 -8.062 258 H2 ACE 336 HA3 ACE 336 37.018 9.863 -8.464 259 H3 ACE 336 HA1 ACE 336 38.493 8.897 -8.548 260 HN1 NH2 368 HN1 NH2 368 2.237 -3.464 -1.119 261 HN2 NH2 368 HN2 NH2 368 1.375 -3.604 -2.575 Start of MODEL 7 1 HA LYS 337 HA LYS 337 36.529 8.054 -4.726 2 H1 LYS 337 HN LYS 337 35.716 9.799 -6.830 3 HB2 LYS 337 HB2 LYS 337 37.084 9.601 -3.010 4 HB3 LYS 337 HB1 LYS 337 38.056 10.056 -4.405 5 HG2 LYS 337 HG2 LYS 337 35.526 11.399 -3.411 6 HG3 LYS 337 HG1 LYS 337 37.144 12.085 -3.499 7 HD2 LYS 337 HD2 LYS 337 37.012 11.692 -6.030 8 HD3 LYS 337 HD1 LYS 337 35.287 11.414 -5.785 9 HE2 LYS 337 HE2 LYS 337 35.721 13.734 -4.361 10 HE3 LYS 337 HE1 LYS 337 36.797 13.928 -5.745 11 HZ1 LYS 337 HZ1 LYS 337 35.053 14.375 -7.006 12 HZ2 LYS 337 HZ2 LYS 337 34.023 14.222 -5.663 13 HZ3 LYS 337 HZ3 LYS 337 34.360 12.871 -6.637 14 H SER 338 HN SER 338 34.194 8.970 -6.454 15 HA SER 338 HA SER 338 32.247 9.428 -4.270 16 HG SER 338 HG SER 338 31.804 9.285 -7.770 17 HB2 SER 338 HB2 SER 338 30.781 10.395 -6.028 18 HB3 SER 338 HB1 SER 338 32.279 11.295 -5.817 19 H TYR 339 HN TYR 339 32.642 6.942 -4.194 20 HA TYR 339 HA TYR 339 30.314 5.649 -4.961 21 HD1 TYR 339 HD1 TYR 339 33.956 5.532 -5.429 22 HD2 TYR 339 HD2 TYR 339 31.916 6.123 -9.162 23 HE1 TYR 339 HE1 TYR 339 36.008 6.496 -6.388 24 HE2 TYR 339 HE2 TYR 339 33.982 7.094 -10.129 25 HH TYR 339 HH TYR 339 36.740 6.702 -9.337 26 HB2 TYR 339 HB2 TYR 339 31.544 4.099 -6.760 27 HB3 TYR 339 HB1 TYR 339 30.680 5.559 -7.210 28 H MET 340 HN MET 340 32.919 3.607 -5.783 29 HA MET 340 HA MET 340 32.583 1.947 -3.524 30 HB2 MET 340 HB2 MET 340 34.433 0.678 -4.391 31 HB3 MET 340 HB1 MET 340 33.490 1.248 -5.770 32 HG2 MET 340 HG2 MET 340 35.217 3.333 -5.435 33 HG3 MET 340 HG1 MET 340 36.228 1.982 -4.924 34 HE1 MET 340 HE1 MET 340 36.576 3.992 -7.221 35 HE2 MET 340 HE2 MET 340 34.974 3.993 -7.954 36 HE3 MET 340 HE3 MET 340 36.352 3.386 -8.867 37 H ALA 341 HN ALA 341 34.006 4.919 -3.724 38 HA ALA 341 HA ALA 341 36.145 4.391 -1.801 39 HB1 ALA 341 HB1 ALA 341 35.267 6.998 -3.058 40 HB2 ALA 341 HB2 ALA 341 36.506 5.932 -3.725 41 HB3 ALA 341 HB3 ALA 341 36.759 6.712 -2.163 42 H TYR 342 HN TYR 342 32.945 5.805 -1.977 43 HA TYR 342 HA TYR 342 33.184 6.804 0.771 44 HD1 TYR 342 HD1 TYR 342 29.507 7.200 1.179 45 HD2 TYR 342 HD2 TYR 342 30.740 6.650 -2.895 46 HE1 TYR 342 HE1 TYR 342 27.271 6.283 0.626 47 HE2 TYR 342 HE2 TYR 342 28.508 5.732 -3.452 48 HH TYR 342 HH TYR 342 25.956 5.480 -0.965 49 HB2 TYR 342 HB2 TYR 342 31.540 8.293 0.268 50 HB3 TYR 342 HB1 TYR 342 32.068 7.965 -1.385 51 H LEU 343 HN LEU 343 31.054 4.656 -1.154 52 HA LEU 343 HA LEU 343 29.414 3.873 0.990 53 HG LEU 343 HG LEU 343 31.390 2.071 -1.404 54 HB2 LEU 343 HB2 LEU 343 28.579 2.172 -0.410 55 HB3 LEU 343 HB1 LEU 343 29.067 3.449 -1.518 56 HD11 LEU 343 HD11 LEU 343 31.151 -0.202 -1.055 57 HD12 LEU 343 HD12 LEU 343 29.453 -0.202 -1.522 58 HD13 LEU 343 HD13 LEU 343 29.925 0.366 0.075 59 HD21 LEU 343 HD21 LEU 343 28.950 1.621 -3.134 60 HD22 LEU 343 HD22 LEU 343 30.511 0.885 -3.492 61 HD23 LEU 343 HD23 LEU 343 30.345 2.638 -3.477 62 H SER 344 HN SER 344 32.667 3.114 0.271 63 HA SER 344 HA SER 344 32.695 0.663 1.847 64 HG SER 344 HG SER 344 35.939 0.568 1.799 65 HB2 SER 344 HB2 SER 344 34.147 1.049 -0.206 66 HB3 SER 344 HB1 SER 344 35.072 2.187 0.769 67 H ALA 345 HN ALA 345 32.474 3.826 2.572 68 HA ALA 345 HA ALA 345 34.055 3.550 5.060 69 HB1 ALA 345 HB1 ALA 345 33.489 6.050 3.450 70 HB2 ALA 345 HB2 ALA 345 35.050 5.244 3.609 71 HB3 ALA 345 HB3 ALA 345 34.309 6.014 5.012 72 H GLU 346 HN GLU 346 31.202 2.889 4.403 73 HA GLU 346 HA GLU 346 30.031 4.128 6.739 74 HB2 GLU 346 HB2 GLU 346 28.034 4.963 5.435 75 HB3 GLU 346 HB1 GLU 346 29.517 5.892 5.202 76 HG2 GLU 346 HG2 GLU 346 29.548 5.414 3.003 77 HG3 GLU 346 HG1 GLU 346 29.393 3.688 3.329 78 H LEU 347 HN LEU 347 30.586 1.517 6.406 79 HA LEU 347 HA LEU 347 27.932 0.296 5.938 80 HG LEU 347 HG LEU 347 31.367 -0.375 6.298 81 HB2 LEU 347 HB2 LEU 347 29.033 -1.708 5.124 82 HB3 LEU 347 HB1 LEU 347 29.585 -0.324 4.179 83 HD11 LEU 347 HD11 LEU 347 30.819 -3.216 5.382 84 HD12 LEU 347 HD12 LEU 347 30.490 -2.578 6.994 85 HD13 LEU 347 HD13 LEU 347 32.153 -2.709 6.419 86 HD21 LEU 347 HD21 LEU 347 32.062 0.053 4.045 87 HD22 LEU 347 HD22 LEU 347 31.495 -1.525 3.499 88 HD23 LEU 347 HD23 LEU 347 32.912 -1.408 4.543 89 H PHE 348 HN PHE 348 30.200 1.101 8.175 90 HA PHE 348 HA PHE 348 29.314 -1.045 10.004 91 HD1 PHE 348 HD1 PHE 348 31.597 1.988 9.406 92 HD2 PHE 348 HD2 PHE 348 33.214 -1.855 8.382 93 HE1 PHE 348 HE1 PHE 348 33.047 3.057 7.715 94 HE2 PHE 348 HE2 PHE 348 34.672 -0.787 6.687 95 HZ PHE 348 HZ PHE 348 34.591 1.669 6.352 96 HB2 PHE 348 HB2 PHE 348 31.740 -0.356 11.029 97 HB3 PHE 348 HB1 PHE 348 31.481 -1.725 9.948 98 H HIS 349 HN HIS 349 29.465 2.208 9.283 99 HA HIS 349 HA HIS 349 29.884 3.441 11.755 100 HD2 HIS 349 HD2 HIS 349 28.034 2.360 8.237 101 HE1 HIS 349 HE1 HIS 349 25.038 5.294 7.759 102 HE2 HIS 349 HE2 HIS 349 25.845 3.016 6.978 103 HB2 HIS 349 HB2 HIS 349 28.676 5.356 10.809 104 HB3 HIS 349 HB1 HIS 349 29.804 4.678 9.636 105 H LEU 350 HN LEU 350 27.351 1.419 10.742 106 HA LEU 350 HA LEU 350 25.728 2.229 13.081 107 HG LEU 350 HG LEU 350 25.534 3.590 10.392 108 HB2 LEU 350 HB2 LEU 350 24.696 1.246 10.409 109 HB3 LEU 350 HB1 LEU 350 23.708 1.634 11.816 110 HD11 LEU 350 HD11 LEU 350 23.667 3.041 8.951 111 HD12 LEU 350 HD12 LEU 350 23.357 4.624 9.667 112 HD13 LEU 350 HD13 LEU 350 22.531 3.196 10.292 113 HD21 LEU 350 HD21 LEU 350 23.897 3.679 12.873 114 HD22 LEU 350 HD22 LEU 350 23.769 5.082 11.815 115 HD23 LEU 350 HD23 LEU 350 25.341 4.594 12.443 116 H SER 351 HN SER 351 27.679 0.352 13.376 117 HA SER 351 HA SER 351 27.257 -2.283 12.799 118 HG SER 351 HG SER 351 28.273 -2.771 16.304 119 HB2 SER 351 HB2 SER 351 29.175 -1.834 14.063 120 HB3 SER 351 HB1 SER 351 28.278 -0.933 15.282 121 H GLY 352 HN GLY 352 25.286 -3.195 12.731 122 HA2 GLY 352 HA2 GLY 352 23.890 -4.501 14.435 123 HA3 GLY 352 HA1 GLY 352 23.508 -2.902 15.073 124 H ILE 353 HN ILE 353 23.229 -1.435 12.777 125 HA ILE 353 HA ILE 353 20.679 -2.431 11.767 126 HB ILE 353 HB ILE 353 22.039 0.172 11.073 127 HG12 ILE 353 HG12 ILE 353 21.969 0.132 13.480 128 HG13 ILE 353 HG11 ILE 353 20.607 1.116 12.946 129 HG21 ILE 353 HG21 ILE 353 20.121 -0.430 9.691 130 HG22 ILE 353 HG22 ILE 353 19.671 0.892 10.768 131 HG23 ILE 353 HG23 ILE 353 19.152 -0.755 11.129 132 HD11 ILE 353 HD11 ILE 353 19.671 -0.315 14.580 133 HD12 ILE 353 HD12 ILE 353 20.576 -1.712 13.999 134 HD13 ILE 353 HD13 ILE 353 19.234 -1.074 13.050 135 H MET 354 HN MET 354 23.868 -1.494 10.584 136 HA MET 354 HA MET 354 23.313 -1.984 7.832 137 HB2 MET 354 HB2 MET 354 25.723 -1.742 7.520 138 HB3 MET 354 HB1 MET 354 25.117 -0.474 8.586 139 HG2 MET 354 HG2 MET 354 26.966 -1.210 9.791 140 HG3 MET 354 HG1 MET 354 25.692 -2.214 10.483 141 HE1 MET 354 HE1 MET 354 28.493 -3.029 10.952 142 HE2 MET 354 HE2 MET 354 28.572 -4.726 10.487 143 HE3 MET 354 HE3 MET 354 27.159 -4.121 11.347 144 H ALA 355 HN ALA 355 24.257 -3.938 10.514 145 HA ALA 355 HA ALA 355 25.353 -6.112 8.990 146 HB1 ALA 355 HB1 ALA 355 26.096 -6.655 11.032 147 HB2 ALA 355 HB2 ALA 355 24.441 -7.027 11.516 148 HB3 ALA 355 HB3 ALA 355 25.084 -5.402 11.753 149 H LEU 356 HN LEU 356 22.223 -4.994 9.714 150 HA LEU 356 HA LEU 356 21.064 -7.576 8.858 151 HG LEU 356 HG LEU 356 20.687 -4.555 10.818 152 HB2 LEU 356 HB2 LEU 356 19.087 -7.048 10.206 153 HB3 LEU 356 HB1 LEU 356 20.534 -7.085 11.203 154 HD11 LEU 356 HD11 LEU 356 18.046 -3.837 10.628 155 HD12 LEU 356 HD12 LEU 356 18.126 -5.157 9.466 156 HD13 LEU 356 HD13 LEU 356 19.192 -3.767 9.295 157 HD21 LEU 356 HD21 LEU 356 19.995 -5.638 12.949 158 HD22 LEU 356 HD22 LEU 356 18.325 -5.627 12.385 159 HD23 LEU 356 HD23 LEU 356 19.165 -4.105 12.681 160 H ILE 357 HN ILE 357 21.590 -4.355 8.084 161 HA ILE 357 HA ILE 357 19.403 -3.258 6.944 162 HB ILE 357 HB ILE 357 22.253 -3.288 6.251 163 HG12 ILE 357 HG12 ILE 357 20.107 -1.145 6.069 164 HG13 ILE 357 HG11 ILE 357 21.036 -1.507 7.520 165 HG21 ILE 357 HG21 ILE 357 21.886 -2.213 4.000 166 HG22 ILE 357 HG22 ILE 357 20.210 -2.737 4.067 167 HG23 ILE 357 HG23 ILE 357 21.514 -3.930 4.025 168 HD11 ILE 357 HD11 ILE 357 21.793 0.083 5.205 169 HD12 ILE 357 HD12 ILE 357 22.972 -1.187 5.528 170 HD13 ILE 357 HD13 ILE 357 22.563 -0.021 6.787 171 H ALA 358 HN ALA 358 21.270 -5.931 5.566 172 HA ALA 358 HA ALA 358 19.316 -6.267 3.413 173 HB1 ALA 358 HB1 ALA 358 21.967 -6.539 3.349 174 HB2 ALA 358 HB2 ALA 358 20.910 -7.510 2.326 175 HB3 ALA 358 HB3 ALA 358 21.556 -8.188 3.820 176 H SER 359 HN SER 359 20.310 -7.783 6.412 177 HA SER 359 HA SER 359 18.779 -10.192 5.965 178 HG SER 359 HG SER 359 18.980 -11.604 8.110 179 HB2 SER 359 HB2 SER 359 20.867 -9.558 7.614 180 HB3 SER 359 HB1 SER 359 19.509 -9.516 8.733 181 H GLY 360 HN GLY 360 17.883 -7.088 6.583 182 HA2 GLY 360 HA2 GLY 360 15.428 -7.947 8.002 183 HA3 GLY 360 HA1 GLY 360 16.240 -6.430 8.373 184 H VAL 361 HN VAL 361 16.875 -6.267 5.384 185 HA VAL 361 HA VAL 361 14.249 -5.690 4.270 186 HB VAL 361 HB VAL 361 16.218 -3.663 5.173 187 HG11 VAL 361 HG11 VAL 361 16.490 -3.240 2.836 188 HG12 VAL 361 HG12 VAL 361 15.280 -2.081 3.380 189 HG13 VAL 361 HG13 VAL 361 14.779 -3.528 2.509 190 HG21 VAL 361 HG21 VAL 361 14.148 -2.344 5.444 191 HG22 VAL 361 HG22 VAL 361 13.998 -3.922 6.215 192 HG23 VAL 361 HG23 VAL 361 13.227 -3.625 4.657 193 H VAL 362 HN VAL 362 14.272 -6.548 2.299 194 HA VAL 362 HA VAL 362 16.291 -5.936 0.387 195 HB VAL 362 HB VAL 362 17.530 -7.632 1.675 196 HG11 VAL 362 HG11 VAL 362 15.089 -8.806 2.045 197 HG12 VAL 362 HG12 VAL 362 16.628 -9.627 2.307 198 HG13 VAL 362 HG13 VAL 362 15.769 -9.830 0.779 199 HG21 VAL 362 HG21 VAL 362 16.995 -9.283 -0.653 200 HG22 VAL 362 HG22 VAL 362 18.429 -8.328 -0.276 201 HG23 VAL 362 HG23 VAL 362 17.061 -7.578 -1.099 202 H MET 363 HN MET 363 13.572 -7.879 1.374 203 HA MET 363 HA MET 363 12.667 -9.169 -0.800 204 HB2 MET 363 HB2 MET 363 11.051 -7.312 0.953 205 HB3 MET 363 HB1 MET 363 10.371 -8.566 -0.089 206 HG2 MET 363 HG2 MET 363 12.528 -9.400 1.788 207 HG3 MET 363 HG1 MET 363 10.961 -9.014 2.499 208 HE1 MET 363 HE1 MET 363 10.465 -11.210 3.408 209 HE2 MET 363 HE2 MET 363 9.430 -12.275 2.458 210 HE3 MET 363 HE3 MET 363 9.029 -10.565 2.600 211 H ARG 364 HN ARG 364 11.235 -8.646 -2.571 212 HA ARG 364 HA ARG 364 10.960 -5.879 -3.388 213 HE ARG 364 HE ARG 364 13.997 -10.419 -5.512 214 HB2 ARG 364 HB2 ARG 364 12.151 -6.202 -5.536 215 HB3 ARG 364 HB1 ARG 364 13.236 -6.337 -4.151 216 HG2 ARG 364 HG2 ARG 364 12.199 -8.927 -4.575 217 HG3 ARG 364 HG1 ARG 364 12.632 -8.311 -6.170 218 HD2 ARG 364 HD2 ARG 364 14.873 -7.695 -5.307 219 HD3 ARG 364 HD1 ARG 364 14.440 -8.366 -3.737 220 HH11 ARG 364 HH21 ARG 364 16.632 -8.329 -4.699 221 HH12 ARG 364 HH22 ARG 364 17.855 -9.494 -5.077 222 HH21 ARG 364 HH11 ARG 364 15.596 -11.955 -6.010 223 HH22 ARG 364 HH12 ARG 364 17.269 -11.548 -5.820 224 HA PRO 365 HA PRO 365 7.732 -8.772 -4.976 225 HB2 PRO 365 HB2 PRO 365 5.616 -7.706 -3.651 226 HB3 PRO 365 HB1 PRO 365 6.695 -8.910 -2.919 227 HG2 PRO 365 HG2 PRO 365 6.544 -5.988 -2.474 228 HG3 PRO 365 HG1 PRO 365 6.988 -7.283 -1.354 229 HD2 PRO 365 HD2 PRO 365 8.772 -5.583 -2.701 230 HD3 PRO 365 HD1 PRO 365 9.200 -7.093 -1.868 231 H LYS 366 HN LYS 366 7.220 -5.296 -4.318 232 HA LYS 366 HA LYS 366 6.360 -3.601 -5.609 233 HB2 LYS 366 HB2 LYS 366 7.271 -5.273 -7.958 234 HB3 LYS 366 HB1 LYS 366 7.068 -3.522 -7.899 235 HG2 LYS 366 HG2 LYS 366 8.821 -3.526 -6.034 236 HG3 LYS 366 HG1 LYS 366 9.155 -5.196 -6.493 237 HD2 LYS 366 HD2 LYS 366 9.319 -2.788 -8.328 238 HD3 LYS 366 HD1 LYS 366 10.691 -3.668 -7.655 239 HE2 LYS 366 HE2 LYS 366 10.529 -4.732 -9.699 240 HE3 LYS 366 HE1 LYS 366 9.433 -5.745 -8.759 241 HZ1 LYS 366 HZ1 LYS 366 7.583 -4.398 -9.530 242 HZ2 LYS 366 HZ2 LYS 366 8.429 -5.062 -10.844 243 HZ3 LYS 366 HZ3 LYS 366 8.637 -3.427 -10.436 244 H LYS 367 HN LYS 367 4.467 -5.411 -4.750 245 HA LYS 367 HA LYS 367 2.351 -6.216 -5.169 246 HB2 LYS 367 HB2 LYS 367 2.551 -3.912 -7.112 247 HB3 LYS 367 HB1 LYS 367 1.060 -4.820 -6.860 248 HG2 LYS 367 HG2 LYS 367 1.159 -4.294 -4.441 249 HG3 LYS 367 HG1 LYS 367 2.625 -3.351 -4.718 250 HD2 LYS 367 HD2 LYS 367 1.296 -1.965 -6.374 251 HD3 LYS 367 HD1 LYS 367 -0.149 -2.793 -5.794 252 HE2 LYS 367 HE2 LYS 367 0.965 -2.054 -3.429 253 HE3 LYS 367 HE1 LYS 367 1.510 -0.732 -4.461 254 HZ1 LYS 367 HZ1 LYS 367 -0.512 0.128 -4.395 255 HZ2 LYS 367 HZ2 LYS 367 -1.021 -1.117 -3.359 256 HZ3 LYS 367 HZ3 LYS 367 -1.177 -1.292 -5.042 257 H1 ACE 336 HA2 ACE 336 38.309 10.441 -8.446 258 H2 ACE 336 HA3 ACE 336 36.740 9.705 -8.765 259 H3 ACE 336 HA1 ACE 336 38.210 8.741 -8.902 260 HN1 NH2 368 HN1 NH2 368 1.929 -5.480 -8.448 261 HN2 NH2 368 HN2 NH2 368 2.305 -7.006 -9.089 Start of MODEL 8 1 HA LYS 337 HA LYS 337 37.053 8.663 -5.821 2 H1 LYS 337 HN LYS 337 35.160 9.089 -7.782 3 HB2 LYS 337 HB2 LYS 337 36.927 10.911 -4.595 4 HB3 LYS 337 HB1 LYS 337 38.002 10.830 -5.980 5 HG2 LYS 337 HG2 LYS 337 36.916 12.739 -6.606 6 HG3 LYS 337 HG1 LYS 337 35.678 11.637 -7.191 7 HD2 LYS 337 HD2 LYS 337 34.693 11.756 -4.814 8 HD3 LYS 337 HD1 LYS 337 35.741 13.156 -4.589 9 HE2 LYS 337 HE2 LYS 337 34.727 14.205 -6.603 10 HE3 LYS 337 HE1 LYS 337 33.637 12.825 -6.747 11 HZ1 LYS 337 HZ1 LYS 337 32.876 13.330 -4.456 12 HZ2 LYS 337 HZ2 LYS 337 32.507 14.547 -5.583 13 HZ3 LYS 337 HZ3 LYS 337 33.797 14.753 -4.498 14 H SER 338 HN SER 338 33.922 9.757 -6.764 15 HA SER 338 HA SER 338 32.848 9.262 -4.065 16 HG SER 338 HG SER 338 32.355 12.316 -5.035 17 HB2 SER 338 HB2 SER 338 31.902 10.842 -6.424 18 HB3 SER 338 HB1 SER 338 30.717 10.213 -5.283 19 H TYR 339 HN TYR 339 32.794 7.028 -4.044 20 HA TYR 339 HA TYR 339 30.520 5.746 -4.972 21 HD1 TYR 339 HD1 TYR 339 34.160 5.709 -5.142 22 HD2 TYR 339 HD2 TYR 339 32.537 6.018 -9.110 23 HE1 TYR 339 HE1 TYR 339 36.333 6.483 -5.955 24 HE2 TYR 339 HE2 TYR 339 34.739 6.804 -9.932 25 HH TYR 339 HH TYR 339 37.587 6.592 -8.038 26 HB2 TYR 339 HB2 TYR 339 31.783 4.241 -6.727 27 HB3 TYR 339 HB1 TYR 339 31.065 5.769 -7.206 28 H MET 340 HN MET 340 33.193 3.789 -5.718 29 HA MET 340 HA MET 340 32.788 1.988 -3.591 30 HB2 MET 340 HB2 MET 340 34.860 0.928 -4.374 31 HB3 MET 340 HB1 MET 340 33.824 1.356 -5.734 32 HG2 MET 340 HG2 MET 340 35.258 3.642 -5.546 33 HG3 MET 340 HG1 MET 340 36.447 2.502 -4.919 34 HE1 MET 340 HE1 MET 340 36.750 4.274 -7.492 35 HE2 MET 340 HE2 MET 340 35.041 4.164 -7.912 36 HE3 MET 340 HE3 MET 340 36.257 3.564 -9.035 37 H ALA 341 HN ALA 341 34.151 5.009 -3.506 38 HA ALA 341 HA ALA 341 36.147 4.384 -1.460 39 HB1 ALA 341 HB1 ALA 341 36.906 6.618 -1.739 40 HB2 ALA 341 HB2 ALA 341 35.405 7.101 -2.530 41 HB3 ALA 341 HB3 ALA 341 36.535 6.033 -3.362 42 H TYR 342 HN TYR 342 32.975 5.822 -1.815 43 HA TYR 342 HA TYR 342 33.024 6.736 0.972 44 HD1 TYR 342 HD2 TYR 342 29.329 7.126 1.145 45 HD2 TYR 342 HD1 TYR 342 30.835 6.668 -2.848 46 HE1 TYR 342 HE2 TYR 342 27.141 6.212 0.425 47 HE2 TYR 342 HE1 TYR 342 28.648 5.751 -3.570 48 HH TYR 342 HH TYR 342 26.101 5.035 -1.250 49 HB2 TYR 342 HB2 TYR 342 31.416 8.238 0.399 50 HB3 TYR 342 HB1 TYR 342 32.054 7.952 -1.223 51 H LEU 343 HN LEU 343 31.053 4.628 -1.150 52 HA LEU 343 HA LEU 343 29.262 3.784 0.846 53 HG LEU 343 HG LEU 343 31.431 2.051 -1.430 54 HB2 LEU 343 HB2 LEU 343 28.547 2.122 -0.659 55 HB3 LEU 343 HB1 LEU 343 29.120 3.421 -1.696 56 HD11 LEU 343 HD11 LEU 343 29.557 -0.248 -1.746 57 HD12 LEU 343 HD12 LEU 343 29.844 0.311 -0.101 58 HD13 LEU 343 HD13 LEU 343 31.195 -0.218 -1.099 59 HD21 LEU 343 HD21 LEU 343 30.726 0.891 -3.594 60 HD22 LEU 343 HD22 LEU 343 30.537 2.643 -3.567 61 HD23 LEU 343 HD23 LEU 343 29.133 1.604 -3.345 62 H SER 344 HN SER 344 32.563 3.036 0.319 63 HA SER 344 HA SER 344 32.481 0.565 1.866 64 HG SER 344 HG SER 344 33.768 1.386 -0.961 65 HB2 SER 344 HB2 SER 344 34.846 2.100 0.763 66 HB3 SER 344 HB1 SER 344 34.889 0.480 1.454 67 H ALA 345 HN ALA 345 32.300 3.741 2.598 68 HA ALA 345 HA ALA 345 33.792 3.433 5.137 69 HB1 ALA 345 HB1 ALA 345 33.221 5.936 3.537 70 HB2 ALA 345 HB2 ALA 345 34.794 5.172 3.767 71 HB3 ALA 345 HB3 ALA 345 33.966 5.915 5.135 72 H GLU 346 HN GLU 346 30.954 2.747 4.378 73 HA GLU 346 HA GLU 346 29.713 3.984 6.699 74 HB2 GLU 346 HB2 GLU 346 27.690 4.644 5.337 75 HB3 GLU 346 HB1 GLU 346 29.122 5.642 5.077 76 HG2 GLU 346 HG2 GLU 346 29.214 5.065 2.905 77 HG3 GLU 346 HG1 GLU 346 29.144 3.350 3.310 78 H LEU 347 HN LEU 347 30.433 1.385 6.441 79 HA LEU 347 HA LEU 347 27.844 0.005 6.064 80 HG LEU 347 HG LEU 347 31.309 -0.420 6.350 81 HB2 LEU 347 HB2 LEU 347 29.090 -1.984 5.341 82 HB3 LEU 347 HB1 LEU 347 29.415 -0.616 4.275 83 HD11 LEU 347 HD11 LEU 347 31.067 -3.250 5.283 84 HD12 LEU 347 HD12 LEU 347 30.829 -2.750 6.958 85 HD13 LEU 347 HD13 LEU 347 32.428 -2.632 6.221 86 HD21 LEU 347 HD21 LEU 347 32.888 -1.030 4.478 87 HD22 LEU 347 HD22 LEU 347 31.728 0.230 4.056 88 HD23 LEU 347 HD23 LEU 347 31.479 -1.422 3.493 89 H PHE 348 HN PHE 348 30.043 1.040 8.243 90 HA PHE 348 HA PHE 348 29.292 -1.066 10.162 91 HD1 PHE 348 HD1 PHE 348 31.609 1.917 9.387 92 HD2 PHE 348 HD2 PHE 348 33.082 -1.990 8.385 93 HE1 PHE 348 HE1 PHE 348 32.998 2.906 7.597 94 HE2 PHE 348 HE2 PHE 348 34.477 -1.001 6.590 95 HZ PHE 348 HZ PHE 348 34.437 1.446 6.196 96 HB2 PHE 348 HB2 PHE 348 31.766 -0.371 11.061 97 HB3 PHE 348 HB1 PHE 348 31.448 -1.776 10.044 98 H HIS 349 HN HIS 349 29.479 2.169 9.322 99 HA HIS 349 HA HIS 349 30.001 3.468 11.741 100 HD2 HIS 349 HD2 HIS 349 27.997 2.308 8.346 101 HE1 HIS 349 HE1 HIS 349 25.063 5.301 7.845 102 HE2 HIS 349 HE2 HIS 349 25.783 2.973 7.134 103 HB2 HIS 349 HB2 HIS 349 28.797 5.377 10.779 104 HB3 HIS 349 HB1 HIS 349 29.870 4.644 9.590 105 H LEU 350 HN LEU 350 27.446 1.421 10.929 106 HA LEU 350 HA LEU 350 25.858 2.399 13.229 107 HG LEU 350 HG LEU 350 25.603 3.492 10.425 108 HB2 LEU 350 HB2 LEU 350 24.807 1.145 10.680 109 HB3 LEU 350 HB1 LEU 350 23.832 1.650 12.059 110 HD11 LEU 350 HD11 LEU 350 22.598 3.087 10.421 111 HD12 LEU 350 HD12 LEU 350 23.705 2.737 9.093 112 HD13 LEU 350 HD13 LEU 350 23.432 4.405 9.597 113 HD21 LEU 350 HD21 LEU 350 25.421 4.576 12.470 114 HD22 LEU 350 HD22 LEU 350 23.872 3.827 12.851 115 HD23 LEU 350 HD23 LEU 350 23.949 5.149 11.689 116 H SER 351 HN SER 351 27.932 0.524 13.461 117 HA SER 351 HA SER 351 27.444 -2.141 13.202 118 HG SER 351 HG SER 351 29.132 -3.317 15.299 119 HB2 SER 351 HB2 SER 351 29.484 -1.551 14.219 120 HB3 SER 351 HB1 SER 351 28.687 -0.595 15.466 121 H GLY 352 HN GLY 352 25.431 -2.972 13.387 122 HA2 GLY 352 HA2 GLY 352 24.236 -4.103 15.379 123 HA3 GLY 352 HA1 GLY 352 23.902 -2.438 15.853 124 H ILE 353 HN ILE 353 23.516 -1.345 13.303 125 HA ILE 353 HA ILE 353 20.878 -2.461 12.649 126 HB ILE 353 HB ILE 353 22.077 0.138 11.686 127 HG12 ILE 353 HG12 ILE 353 22.129 0.274 14.088 128 HG13 ILE 353 HG11 ILE 353 20.698 1.156 13.559 129 HG21 ILE 353 HG21 ILE 353 19.235 -0.882 11.974 130 HG22 ILE 353 HG22 ILE 353 20.116 -0.668 10.461 131 HG23 ILE 353 HG23 ILE 353 19.680 0.738 11.434 132 HD11 ILE 353 HD11 ILE 353 20.855 -1.577 14.824 133 HD12 ILE 353 HD12 ILE 353 19.440 -1.084 13.893 134 HD13 ILE 353 HD13 ILE 353 19.905 -0.182 15.336 135 H MET 354 HN MET 354 23.946 -1.525 11.208 136 HA MET 354 HA MET 354 23.269 -2.167 8.527 137 HB2 MET 354 HB2 MET 354 25.662 -1.933 8.089 138 HB3 MET 354 HB1 MET 354 25.092 -0.615 9.114 139 HG2 MET 354 HG2 MET 354 26.932 -1.234 10.349 140 HG3 MET 354 HG1 MET 354 25.759 -2.354 11.041 141 HE1 MET 354 HE1 MET 354 27.169 -4.055 11.873 142 HE2 MET 354 HE2 MET 354 28.655 -3.190 11.489 143 HE3 MET 354 HE3 MET 354 28.493 -4.888 11.048 144 H ALA 355 HN ALA 355 24.369 -4.009 11.236 145 HA ALA 355 HA ALA 355 25.376 -6.234 9.717 146 HB1 ALA 355 HB1 ALA 355 25.209 -5.446 12.498 147 HB2 ALA 355 HB2 ALA 355 26.299 -6.600 11.728 148 HB3 ALA 355 HB3 ALA 355 24.713 -7.127 12.290 149 H LEU 356 HN LEU 356 22.314 -5.061 10.504 150 HA LEU 356 HA LEU 356 21.077 -7.689 9.937 151 HG LEU 356 HG LEU 356 21.115 -4.672 11.926 152 HB2 LEU 356 HB2 LEU 356 19.147 -6.017 11.116 153 HB3 LEU 356 HB1 LEU 356 19.897 -7.443 11.827 154 HD11 LEU 356 HD11 LEU 356 18.930 -5.837 13.440 155 HD12 LEU 356 HD12 LEU 356 19.592 -4.205 13.526 156 HD13 LEU 356 HD13 LEU 356 20.300 -5.496 14.496 157 HD21 LEU 356 HD21 LEU 356 21.887 -6.471 14.036 158 HD22 LEU 356 HD22 LEU 356 22.903 -5.734 12.800 159 HD23 LEU 356 HD23 LEU 356 22.121 -7.283 12.488 160 H ILE 357 HN ILE 357 21.492 -4.427 9.015 161 HA ILE 357 HA ILE 357 19.306 -3.482 7.801 162 HB ILE 357 HB ILE 357 22.145 -3.502 7.028 163 HG12 ILE 357 HG12 ILE 357 19.972 -1.381 6.929 164 HG13 ILE 357 HG11 ILE 357 20.977 -1.719 8.337 165 HG21 ILE 357 HG21 ILE 357 21.646 -2.439 4.784 166 HG22 ILE 357 HG22 ILE 357 19.993 -3.014 4.939 167 HG23 ILE 357 HG23 ILE 357 21.329 -4.166 4.844 168 HD11 ILE 357 HD11 ILE 357 22.447 -0.221 7.510 169 HD12 ILE 357 HD12 ILE 357 21.599 -0.148 5.965 170 HD13 ILE 357 HD13 ILE 357 22.808 -1.400 6.249 171 H ALA 358 HN ALA 358 21.213 -6.176 6.511 172 HA ALA 358 HA ALA 358 19.267 -6.623 4.380 173 HB1 ALA 358 HB1 ALA 358 21.916 -6.903 4.356 174 HB2 ALA 358 HB2 ALA 358 20.867 -7.926 3.373 175 HB3 ALA 358 HB3 ALA 358 21.499 -8.526 4.906 176 H SER 359 HN SER 359 20.217 -7.978 7.463 177 HA SER 359 HA SER 359 18.628 -10.381 7.122 178 HG SER 359 HG SER 359 20.579 -11.758 8.372 179 HB2 SER 359 HB2 SER 359 20.772 -9.685 8.734 180 HB3 SER 359 HB1 SER 359 19.414 -9.716 9.855 181 H GLY 360 HN GLY 360 17.809 -7.261 7.561 182 HA2 GLY 360 HA2 GLY 360 15.406 -7.958 9.146 183 HA3 GLY 360 HA1 GLY 360 16.262 -6.439 9.383 184 H VAL 361 HN VAL 361 15.658 -8.030 6.287 185 HA VAL 361 HA VAL 361 13.421 -6.385 5.597 186 HB VAL 361 HB VAL 361 15.422 -4.802 5.492 187 HG11 VAL 361 HG11 VAL 361 16.698 -6.827 4.259 188 HG12 VAL 361 HG12 VAL 361 17.110 -5.137 3.970 189 HG13 VAL 361 HG13 VAL 361 16.066 -5.995 2.839 190 HG21 VAL 361 HG21 VAL 361 13.782 -3.806 4.278 191 HG22 VAL 361 HG22 VAL 361 13.313 -5.322 3.508 192 HG23 VAL 361 HG23 VAL 361 14.665 -4.387 2.866 193 H VAL 362 HN VAL 362 14.204 -9.184 5.564 194 HA VAL 362 HA VAL 362 13.362 -9.804 2.868 195 HB VAL 362 HB VAL 362 15.793 -9.593 2.565 196 HG11 VAL 362 HG11 VAL 362 16.023 -11.860 4.560 197 HG12 VAL 362 HG12 VAL 362 16.320 -10.172 4.975 198 HG13 VAL 362 HG13 VAL 362 17.339 -10.980 3.784 199 HG21 VAL 362 HG21 VAL 362 14.949 -12.504 2.582 200 HG22 VAL 362 HG22 VAL 362 16.142 -11.749 1.525 201 HG23 VAL 362 HG23 VAL 362 14.433 -11.345 1.357 202 H MET 363 HN MET 363 12.446 -11.832 2.707 203 HA MET 363 HA MET 363 12.701 -13.745 4.880 204 HB2 MET 363 HB2 MET 363 10.449 -11.891 4.692 205 HB3 MET 363 HB1 MET 363 9.947 -13.582 4.690 206 HG2 MET 363 HG2 MET 363 11.869 -12.395 6.713 207 HG3 MET 363 HG1 MET 363 10.139 -12.587 6.994 208 HE1 MET 363 HE1 MET 363 9.381 -16.168 7.190 209 HE2 MET 363 HE2 MET 363 8.888 -14.568 6.640 210 HE3 MET 363 HE3 MET 363 9.314 -14.819 8.332 211 H ARG 364 HN ARG 364 10.445 -12.916 2.242 212 HA ARG 364 HA ARG 364 10.912 -15.605 1.105 213 HE ARG 364 HE ARG 364 6.379 -15.086 1.263 214 HB2 ARG 364 HB2 ARG 364 8.672 -15.339 2.215 215 HB3 ARG 364 HB1 ARG 364 8.301 -14.087 1.030 216 HG2 ARG 364 HG2 ARG 364 9.294 -16.250 -0.468 217 HG3 ARG 364 HG1 ARG 364 8.210 -16.968 0.724 218 HD2 ARG 364 HD2 ARG 364 7.568 -14.789 -1.273 219 HD3 ARG 364 HD1 ARG 364 6.862 -16.399 -1.177 220 HH11 ARG 364 HH21 ARG 364 5.569 -14.889 -2.095 221 HH12 ARG 364 HH22 ARG 364 4.018 -14.168 -1.820 222 HH21 ARG 364 HH11 ARG 364 4.348 -14.139 1.631 223 HH22 ARG 364 HH12 ARG 364 3.327 -13.743 0.289 224 HA PRO 365 HA PRO 365 11.664 -12.089 -1.964 225 HB2 PRO 365 HB2 PRO 365 14.252 -12.789 -2.563 226 HB3 PRO 365 HB1 PRO 365 13.814 -11.635 -1.288 227 HG2 PRO 365 HG2 PRO 365 14.537 -14.516 -1.064 228 HG3 PRO 365 HG1 PRO 365 14.998 -13.154 -0.029 229 HD2 PRO 365 HD2 PRO 365 13.051 -14.906 0.665 230 HD3 PRO 365 HD1 PRO 365 13.000 -13.195 1.144 231 H LYS 366 HN LYS 366 13.179 -15.323 -2.186 232 HA LYS 366 HA LYS 366 13.085 -16.951 -3.803 233 HB2 LYS 366 HB2 LYS 366 10.616 -15.603 -4.886 234 HB3 LYS 366 HB1 LYS 366 11.034 -17.317 -4.909 235 HG2 LYS 366 HG2 LYS 366 10.998 -17.165 -2.328 236 HG3 LYS 366 HG1 LYS 366 10.145 -15.639 -2.565 237 HD2 LYS 366 HD2 LYS 366 9.273 -18.304 -3.720 238 HD3 LYS 366 HD1 LYS 366 8.578 -17.553 -2.284 239 HE2 LYS 366 HE2 LYS 366 8.140 -15.503 -3.778 240 HE3 LYS 366 HE1 LYS 366 8.466 -16.577 -5.139 241 HZ1 LYS 366 HZ1 LYS 366 6.364 -17.215 -4.979 242 HZ2 LYS 366 HZ2 LYS 366 6.142 -16.389 -3.510 243 HZ3 LYS 366 HZ3 LYS 366 6.754 -17.973 -3.513 244 H LYS 367 HN LYS 367 13.903 -13.918 -4.329 245 HA LYS 367 HA LYS 367 14.924 -12.769 -6.035 246 HB2 LYS 367 HB2 LYS 367 15.093 -15.415 -7.478 247 HB3 LYS 367 HB1 LYS 367 16.184 -14.035 -7.605 248 HG2 LYS 367 HG2 LYS 367 16.533 -14.414 -5.034 249 HG3 LYS 367 HG1 LYS 367 15.915 -16.031 -5.374 250 HD2 LYS 367 HD2 LYS 367 17.647 -16.154 -7.246 251 HD3 LYS 367 HD1 LYS 367 18.361 -14.698 -6.553 252 HE2 LYS 367 HE2 LYS 367 18.252 -17.470 -5.440 253 HE3 LYS 367 HE1 LYS 367 19.571 -16.299 -5.406 254 HZ1 LYS 367 HZ1 LYS 367 17.068 -15.804 -3.924 255 HZ2 LYS 367 HZ2 LYS 367 18.613 -15.146 -3.662 256 HZ3 LYS 367 HZ3 LYS 367 18.295 -16.763 -3.251 257 H1 ACE 336 HA2 ACE 336 35.522 9.130 -9.903 258 H2 ACE 336 HA3 ACE 336 37.204 9.005 -10.421 259 H3 ACE 336 HA1 ACE 336 36.432 10.586 -10.306 260 HN1 NH2 368 HN1 NH2 368 11.901 -13.415 -6.178 261 HN2 NH2 368 HN2 NH2 368 11.505 -13.090 -7.797 Start of MODEL 9 1 HA LYS 337 HA LYS 337 36.567 8.021 -4.644 2 H1 LYS 337 HN LYS 337 35.777 9.715 -6.785 3 HB2 LYS 337 HB2 LYS 337 37.047 9.591 -2.918 4 HB3 LYS 337 HB1 LYS 337 38.070 10.026 -4.283 5 HG2 LYS 337 HG2 LYS 337 35.495 11.380 -3.424 6 HG3 LYS 337 HG1 LYS 337 37.116 12.062 -3.413 7 HD2 LYS 337 HD2 LYS 337 37.131 11.634 -5.952 8 HD3 LYS 337 HD1 LYS 337 35.385 11.413 -5.798 9 HE2 LYS 337 HE2 LYS 337 37.017 13.885 -5.504 10 HE3 LYS 337 HE1 LYS 337 35.396 13.680 -6.164 11 HZ1 LYS 337 HZ1 LYS 337 35.204 14.822 -4.110 12 HZ2 LYS 337 HZ2 LYS 337 36.186 13.693 -3.305 13 HZ3 LYS 337 HZ3 LYS 337 34.641 13.244 -3.850 14 H SER 338 HN SER 338 34.268 8.853 -6.428 15 HA SER 338 HA SER 338 32.260 9.342 -4.307 16 HG SER 338 HG SER 338 30.711 10.684 -4.757 17 HB2 SER 338 HB2 SER 338 32.562 11.042 -6.235 18 HB3 SER 338 HB1 SER 338 31.775 9.823 -7.234 19 H TYR 339 HN TYR 339 32.780 6.840 -4.205 20 HA TYR 339 HA TYR 339 30.467 5.484 -4.940 21 HD1 TYR 339 HD1 TYR 339 34.119 5.454 -5.404 22 HD2 TYR 339 HD2 TYR 339 32.034 5.954 -9.126 23 HE1 TYR 339 HE1 TYR 339 36.124 6.518 -6.380 24 HE2 TYR 339 HE2 TYR 339 34.047 7.020 -10.106 25 HH TYR 339 HH TYR 339 37.085 6.849 -8.698 26 HB2 TYR 339 HB2 TYR 339 31.781 3.918 -6.688 27 HB3 TYR 339 HB1 TYR 339 30.842 5.318 -7.178 28 H MET 340 HN MET 340 33.141 3.483 -5.674 29 HA MET 340 HA MET 340 32.793 1.866 -3.392 30 HB2 MET 340 HB2 MET 340 34.713 0.644 -4.160 31 HB3 MET 340 HB1 MET 340 33.816 1.160 -5.589 32 HG2 MET 340 HG2 MET 340 35.459 3.303 -5.227 33 HG3 MET 340 HG1 MET 340 36.489 2.000 -4.635 34 HE1 MET 340 HE1 MET 340 36.903 3.953 -6.955 35 HE2 MET 340 HE2 MET 340 35.336 3.904 -7.756 36 HE3 MET 340 HE3 MET 340 36.765 3.310 -8.597 37 H ALA 341 HN ALA 341 34.080 4.886 -3.590 38 HA ALA 341 HA ALA 341 36.167 4.495 -1.575 39 HB1 ALA 341 HB1 ALA 341 35.237 6.985 -3.019 40 HB2 ALA 341 HB2 ALA 341 36.617 5.985 -3.480 41 HB3 ALA 341 HB3 ALA 341 36.642 6.875 -1.957 42 H TYR 342 HN TYR 342 32.985 5.965 -1.969 43 HA TYR 342 HA TYR 342 33.048 6.956 0.779 44 HD1 TYR 342 HD1 TYR 342 29.428 7.364 1.060 45 HD2 TYR 342 HD2 TYR 342 30.703 6.781 -2.999 46 HE1 TYR 342 HE1 TYR 342 27.188 6.473 0.482 47 HE2 TYR 342 HE2 TYR 342 28.467 5.890 -3.578 48 HH TYR 342 HH TYR 342 26.080 5.188 -1.130 49 HB2 TYR 342 HB2 TYR 342 31.480 8.460 0.137 50 HB3 TYR 342 HB1 TYR 342 32.046 8.053 -1.485 51 H LEU 343 HN LEU 343 31.013 4.786 -1.234 52 HA LEU 343 HA LEU 343 29.315 4.041 0.896 53 HG LEU 343 HG LEU 343 31.245 2.544 -1.697 54 HB2 LEU 343 HB2 LEU 343 28.554 2.225 -0.511 55 HB3 LEU 343 HB1 LEU 343 28.753 3.672 -1.495 56 HD11 LEU 343 HD11 LEU 343 31.114 0.198 -1.877 57 HD12 LEU 343 HD12 LEU 343 29.354 0.213 -1.969 58 HD13 LEU 343 HD13 LEU 343 30.158 0.531 -0.435 59 HD21 LEU 343 HD21 LEU 343 30.519 1.845 -3.945 60 HD22 LEU 343 HD22 LEU 343 29.805 3.403 -3.540 61 HD23 LEU 343 HD23 LEU 343 28.833 1.937 -3.440 62 H SER 344 HN SER 344 32.549 3.290 0.252 63 HA SER 344 HA SER 344 32.513 0.758 1.711 64 HG SER 344 HG SER 344 35.798 0.190 0.816 65 HB2 SER 344 HB2 SER 344 34.012 0.968 -0.220 66 HB3 SER 344 HB1 SER 344 34.806 2.349 0.531 67 H ALA 345 HN ALA 345 32.309 3.893 2.539 68 HA ALA 345 HA ALA 345 33.842 3.526 5.045 69 HB1 ALA 345 HB1 ALA 345 34.092 5.995 5.082 70 HB2 ALA 345 HB2 ALA 345 33.313 6.075 3.501 71 HB3 ALA 345 HB3 ALA 345 34.869 5.263 3.677 72 H GLU 346 HN GLU 346 30.963 2.967 4.242 73 HA GLU 346 HA GLU 346 29.770 4.171 6.609 74 HB2 GLU 346 HB2 GLU 346 27.779 4.957 5.273 75 HB3 GLU 346 HB1 GLU 346 29.251 5.894 5.020 76 HG2 GLU 346 HG2 GLU 346 29.295 5.361 2.836 77 HG3 GLU 346 HG1 GLU 346 29.162 3.642 3.205 78 H LEU 347 HN LEU 347 30.383 1.559 6.318 79 HA LEU 347 HA LEU 347 27.742 0.293 5.905 80 HG LEU 347 HG LEU 347 31.193 -0.318 6.135 81 HB2 LEU 347 HB2 LEU 347 28.869 -1.710 5.072 82 HB3 LEU 347 HB1 LEU 347 29.293 -0.318 4.075 83 HD11 LEU 347 HD11 LEU 347 32.125 -2.590 6.065 84 HD12 LEU 347 HD12 LEU 347 30.799 -3.116 5.028 85 HD13 LEU 347 HD13 LEU 347 30.476 -2.628 6.692 86 HD21 LEU 347 HD21 LEU 347 32.714 -1.073 4.251 87 HD22 LEU 347 HD22 LEU 347 31.694 0.312 3.863 88 HD23 LEU 347 HD23 LEU 347 31.269 -1.292 3.265 89 H PHE 348 HN PHE 348 30.181 1.052 8.026 90 HA PHE 348 HA PHE 348 29.315 -1.062 9.902 91 HD1 PHE 348 HD1 PHE 348 31.612 1.869 9.139 92 HD2 PHE 348 HD2 PHE 348 33.162 -2.001 8.112 93 HE1 PHE 348 HE1 PHE 348 33.015 2.905 7.388 94 HE2 PHE 348 HE2 PHE 348 34.573 -0.966 6.356 95 HZ PHE 348 HZ PHE 348 34.502 1.486 5.993 96 HB2 PHE 348 HB2 PHE 348 31.822 -0.501 10.786 97 HB3 PHE 348 HB1 PHE 348 31.445 -1.836 9.699 98 H HIS 349 HN HIS 349 29.472 2.169 9.184 99 HA HIS 349 HA HIS 349 30.132 3.385 11.624 100 HD2 HIS 349 HD2 HIS 349 28.020 2.429 8.177 101 HE1 HIS 349 HE1 HIS 349 24.971 5.348 8.149 102 HE2 HIS 349 HE2 HIS 349 25.709 3.120 7.179 103 HB2 HIS 349 HB2 HIS 349 28.927 5.338 10.770 104 HB3 HIS 349 HB1 HIS 349 29.919 4.621 9.503 105 H LEU 350 HN LEU 350 27.608 1.313 10.919 106 HA LEU 350 HA LEU 350 26.097 2.232 13.290 107 HG LEU 350 HG LEU 350 25.694 3.489 10.601 108 HB2 LEU 350 HB2 LEU 350 24.938 1.118 10.724 109 HB3 LEU 350 HB1 LEU 350 24.016 1.512 12.174 110 HD11 LEU 350 HD11 LEU 350 23.782 2.831 9.269 111 HD12 LEU 350 HD12 LEU 350 23.447 4.421 9.954 112 HD13 LEU 350 HD13 LEU 350 22.706 2.985 10.658 113 HD21 LEU 350 HD21 LEU 350 24.193 3.591 13.163 114 HD22 LEU 350 HD22 LEU 350 23.925 4.947 12.071 115 HD23 LEU 350 HD23 LEU 350 25.556 4.566 12.617 116 H SER 351 HN SER 351 28.194 0.290 13.211 117 HA SER 351 HA SER 351 27.615 -2.341 12.892 118 HG SER 351 HG SER 351 28.988 -2.670 16.211 119 HB2 SER 351 HB2 SER 351 29.747 -1.888 13.754 120 HB3 SER 351 HB1 SER 351 29.110 -0.915 15.077 121 H GLY 352 HN GLY 352 25.568 -3.067 13.188 122 HA2 GLY 352 HA2 GLY 352 24.544 -4.276 15.271 123 HA3 GLY 352 HA1 GLY 352 24.238 -2.610 15.770 124 H ILE 353 HN ILE 353 23.636 -1.411 13.409 125 HA ILE 353 HA ILE 353 21.007 -2.548 12.797 126 HB ILE 353 HB ILE 353 22.182 0.074 11.856 127 HG12 ILE 353 HG12 ILE 353 22.290 0.141 14.263 128 HG13 ILE 353 HG11 ILE 353 20.861 1.055 13.784 129 HG21 ILE 353 HG21 ILE 353 19.836 0.697 11.577 130 HG22 ILE 353 HG22 ILE 353 19.320 -0.852 12.245 131 HG23 ILE 353 HG23 ILE 353 20.158 -0.794 10.694 132 HD11 ILE 353 HD11 ILE 353 19.584 -1.184 14.087 133 HD12 ILE 353 HD12 ILE 353 20.078 -0.314 15.539 134 HD13 ILE 353 HD13 ILE 353 21.008 -1.706 14.987 135 H MET 354 HN MET 354 24.130 -1.926 11.424 136 HA MET 354 HA MET 354 23.400 -2.347 8.684 137 HB2 MET 354 HB2 MET 354 25.880 -2.503 8.348 138 HB3 MET 354 HB1 MET 354 25.352 -1.020 9.144 139 HG2 MET 354 HG2 MET 354 26.643 -1.497 10.921 140 HG3 MET 354 HG1 MET 354 25.785 -3.020 11.151 141 HE1 MET 354 HE1 MET 354 27.506 -4.497 11.950 142 HE2 MET 354 HE2 MET 354 28.387 -5.468 10.773 143 HE3 MET 354 HE3 MET 354 26.641 -5.287 10.625 144 H ALA 355 HN ALA 355 24.080 -4.346 11.368 145 HA ALA 355 HA ALA 355 24.904 -6.656 9.832 146 HB1 ALA 355 HB1 ALA 355 25.565 -7.457 11.828 147 HB2 ALA 355 HB2 ALA 355 23.966 -7.211 12.531 148 HB3 ALA 355 HB3 ALA 355 25.131 -5.887 12.502 149 H LEU 356 HN LEU 356 22.020 -5.088 10.427 150 HA LEU 356 HA LEU 356 20.511 -7.516 9.719 151 HG LEU 356 HG LEU 356 20.591 -4.557 11.674 152 HB2 LEU 356 HB2 LEU 356 18.650 -6.735 11.188 153 HB3 LEU 356 HB1 LEU 356 20.093 -7.213 12.073 154 HD11 LEU 356 HD11 LEU 356 17.667 -4.638 12.390 155 HD12 LEU 356 HD12 LEU 356 18.167 -4.498 10.705 156 HD13 LEU 356 HD13 LEU 356 18.637 -3.261 11.869 157 HD21 LEU 356 HD21 LEU 356 18.976 -5.748 13.950 158 HD22 LEU 356 HD22 LEU 356 19.944 -4.277 14.024 159 HD23 LEU 356 HD23 LEU 356 20.731 -5.840 13.808 160 H ILE 357 HN ILE 357 21.407 -4.425 8.936 161 HA ILE 357 HA ILE 357 19.254 -3.026 8.058 162 HB ILE 357 HB ILE 357 22.020 -3.354 7.140 163 HG12 ILE 357 HG12 ILE 357 21.259 -1.445 8.495 164 HG13 ILE 357 HG11 ILE 357 21.896 -0.894 6.954 165 HG21 ILE 357 HG21 ILE 357 21.097 -3.840 4.968 166 HG22 ILE 357 HG22 ILE 357 21.643 -2.167 4.959 167 HG23 ILE 357 HG23 ILE 357 19.927 -2.522 5.113 168 HD11 ILE 357 HD11 ILE 357 19.226 -0.597 8.065 169 HD12 ILE 357 HD12 ILE 357 19.174 -1.330 6.465 170 HD13 ILE 357 HD13 ILE 357 19.960 0.231 6.693 171 H ALA 358 HN ALA 358 20.661 -5.878 6.539 172 HA ALA 358 HA ALA 358 18.580 -5.914 4.483 173 HB1 ALA 358 HB1 ALA 358 20.693 -8.019 4.907 174 HB2 ALA 358 HB2 ALA 358 21.055 -6.495 4.096 175 HB3 ALA 358 HB3 ALA 358 19.851 -7.590 3.417 176 H SER 359 HN SER 359 19.230 -7.281 7.567 177 HA SER 359 HA SER 359 17.448 -9.557 7.181 178 HG SER 359 HG SER 359 18.017 -11.141 8.463 179 HB2 SER 359 HB2 SER 359 19.608 -9.411 8.679 180 HB3 SER 359 HB1 SER 359 18.498 -8.717 9.856 181 H GLY 360 HN GLY 360 17.020 -6.336 7.677 182 HA2 GLY 360 HA2 GLY 360 14.502 -6.759 9.184 183 HA3 GLY 360 HA1 GLY 360 15.509 -5.330 9.394 184 H VAL 361 HN VAL 361 16.082 -5.506 6.410 185 HA VAL 361 HA VAL 361 13.522 -4.717 5.269 186 HB VAL 361 HB VAL 361 15.746 -2.874 5.956 187 HG11 VAL 361 HG11 VAL 361 14.935 -1.352 4.048 188 HG12 VAL 361 HG12 VAL 361 14.250 -2.804 3.323 189 HG13 VAL 361 HG13 VAL 361 15.992 -2.686 3.589 190 HG21 VAL 361 HG21 VAL 361 12.764 -2.519 5.508 191 HG22 VAL 361 HG22 VAL 361 13.856 -1.295 6.153 192 HG23 VAL 361 HG23 VAL 361 13.547 -2.769 7.068 193 H VAL 362 HN VAL 362 13.410 -5.781 3.400 194 HA VAL 362 HA VAL 362 15.506 -5.604 1.442 195 HB VAL 362 HB VAL 362 16.389 -7.408 2.900 196 HG11 VAL 362 HG11 VAL 362 15.087 -9.093 3.659 197 HG12 VAL 362 HG12 VAL 362 14.406 -9.387 2.060 198 HG13 VAL 362 HG13 VAL 362 13.714 -8.140 3.096 199 HG21 VAL 362 HG21 VAL 362 16.874 -8.933 1.113 200 HG22 VAL 362 HG22 VAL 362 16.672 -7.349 0.364 201 HG23 VAL 362 HG23 VAL 362 15.372 -8.537 0.281 202 H MET 363 HN MET 363 14.834 -6.289 -0.616 203 HA MET 363 HA MET 363 12.097 -7.335 -0.858 204 HB2 MET 363 HB2 MET 363 13.122 -4.775 -2.099 205 HB3 MET 363 HB1 MET 363 11.675 -5.612 -2.662 206 HG2 MET 363 HG2 MET 363 10.745 -5.473 -0.346 207 HG3 MET 363 HG1 MET 363 12.151 -4.518 0.125 208 HE1 MET 363 HE1 MET 363 8.771 -2.930 0.058 209 HE2 MET 363 HE2 MET 363 10.067 -1.801 0.447 210 HE3 MET 363 HE3 MET 363 10.165 -3.470 1.003 211 H ARG 364 HN ARG 364 11.906 -8.809 -2.441 212 HA ARG 364 HA ARG 364 13.400 -8.777 -4.861 213 HE ARG 364 HE ARG 364 15.478 -8.592 -7.187 214 HB2 ARG 364 HB2 ARG 364 15.063 -9.555 -2.985 215 HB3 ARG 364 HB1 ARG 364 14.198 -11.083 -3.123 216 HG2 ARG 364 HG2 ARG 364 15.880 -11.366 -4.712 217 HG3 ARG 364 HG1 ARG 364 14.561 -10.739 -5.700 218 HD2 ARG 364 HD2 ARG 364 15.716 -8.412 -4.875 219 HD3 ARG 364 HD1 ARG 364 17.124 -9.466 -4.949 220 HH11 ARG 364 HH21 ARG 364 17.888 -10.744 -5.949 221 HH12 ARG 364 HH22 ARG 364 18.543 -11.126 -7.505 222 HH21 ARG 364 HH11 ARG 364 16.334 -9.087 -9.232 223 HH22 ARG 364 HH12 ARG 364 17.665 -10.190 -9.364 224 HA PRO 365 HA PRO 365 9.560 -11.499 -4.357 225 HB2 PRO 365 HB2 PRO 365 7.992 -10.038 -6.092 226 HB3 PRO 365 HB1 PRO 365 8.019 -9.798 -4.335 227 HG2 PRO 365 HG2 PRO 365 9.390 -8.253 -6.476 228 HG3 PRO 365 HG1 PRO 365 8.615 -7.681 -4.990 229 HD2 PRO 365 HD2 PRO 365 11.308 -7.907 -5.236 230 HD3 PRO 365 HD1 PRO 365 10.473 -8.143 -3.685 231 H LYS 366 HN LYS 366 10.503 -9.727 -7.308 232 HA LYS 366 HA LYS 366 10.482 -10.447 -9.524 233 HB2 LYS 366 HB2 LYS 366 12.254 -12.380 -9.689 234 HB3 LYS 366 HB1 LYS 366 12.735 -10.756 -9.205 235 HG2 LYS 366 HG2 LYS 366 12.604 -11.399 -6.838 236 HG3 LYS 366 HG1 LYS 366 12.080 -13.021 -7.300 237 HD2 LYS 366 HD2 LYS 366 14.217 -13.177 -8.670 238 HD3 LYS 366 HD1 LYS 366 14.741 -11.708 -7.848 239 HE2 LYS 366 HE2 LYS 366 15.638 -13.343 -6.449 240 HE3 LYS 366 HE1 LYS 366 14.083 -13.044 -5.671 241 HZ1 LYS 366 HZ1 LYS 366 14.344 -15.101 -7.767 242 HZ2 LYS 366 HZ2 LYS 366 13.182 -14.972 -6.535 243 HZ3 LYS 366 HZ3 LYS 366 14.769 -15.451 -6.164 244 H LYS 367 HN LYS 367 8.170 -11.246 -9.160 245 HA LYS 367 HA LYS 367 7.736 -14.065 -8.903 246 HB2 LYS 367 HB2 LYS 367 6.032 -11.712 -9.660 247 HB3 LYS 367 HB1 LYS 367 5.429 -13.353 -9.892 248 HG2 LYS 367 HG2 LYS 367 5.391 -13.810 -7.619 249 HG3 LYS 367 HG1 LYS 367 6.668 -12.648 -7.259 250 HD2 LYS 367 HD2 LYS 367 4.471 -11.849 -6.446 251 HD3 LYS 367 HD1 LYS 367 5.119 -10.788 -7.698 252 HE2 LYS 367 HE2 LYS 367 3.379 -13.054 -8.569 253 HE3 LYS 367 HE1 LYS 367 2.600 -11.676 -7.791 254 HZ1 LYS 367 HZ1 LYS 367 4.138 -10.366 -9.442 255 HZ2 LYS 367 HZ2 LYS 367 2.626 -10.965 -9.935 256 HZ3 LYS 367 HZ3 LYS 367 4.046 -11.808 -10.332 257 H1 ACE 336 HA2 ACE 336 36.865 9.715 -8.668 258 H2 ACE 336 HA3 ACE 336 38.310 8.709 -8.781 259 H3 ACE 336 HA1 ACE 336 38.452 10.409 -8.336 260 HN1 NH2 368 HN1 NH2 368 7.471 -11.871 -11.762 261 HN2 NH2 368 HN2 NH2 368 7.724 -13.104 -12.902 Start of MODEL 10 1 HA LYS 337 HA LYS 337 36.501 8.081 -4.756 2 H1 LYS 337 HN LYS 337 35.670 9.808 -6.853 3 HB2 LYS 337 HB2 LYS 337 37.072 9.619 -3.033 4 HB3 LYS 337 HB1 LYS 337 38.047 10.064 -4.430 5 HG2 LYS 337 HG2 LYS 337 35.528 11.434 -3.443 6 HG3 LYS 337 HG1 LYS 337 37.155 12.098 -3.503 7 HD2 LYS 337 HD2 LYS 337 37.047 11.709 -6.042 8 HD3 LYS 337 HD1 LYS 337 35.310 11.486 -5.811 9 HE2 LYS 337 HE2 LYS 337 36.944 13.943 -5.137 10 HE3 LYS 337 HE1 LYS 337 35.672 13.808 -6.350 11 HZ1 LYS 337 HZ1 LYS 337 35.446 13.890 -3.423 12 HZ2 LYS 337 HZ2 LYS 337 34.259 13.072 -4.322 13 HZ3 LYS 337 HZ3 LYS 337 34.547 14.724 -4.593 14 H SER 338 HN SER 338 34.158 8.983 -6.457 15 HA SER 338 HA SER 338 32.228 9.442 -4.258 16 HG SER 338 HG SER 338 33.073 10.962 -7.501 17 HB2 SER 338 HB2 SER 338 30.748 10.308 -6.164 18 HB3 SER 338 HB1 SER 338 32.087 11.333 -5.658 19 H TYR 339 HN TYR 339 32.621 6.955 -4.213 20 HA TYR 339 HA TYR 339 30.285 5.676 -4.982 21 HD1 TYR 339 HD1 TYR 339 33.927 5.549 -5.459 22 HD2 TYR 339 HD2 TYR 339 31.885 6.194 -9.182 23 HE1 TYR 339 HE1 TYR 339 35.982 6.514 -6.410 24 HE2 TYR 339 HE2 TYR 339 33.953 7.167 -10.140 25 HH TYR 339 HH TYR 339 36.985 7.225 -8.288 26 HB2 TYR 339 HB2 TYR 339 31.504 4.144 -6.803 27 HB3 TYR 339 HB1 TYR 339 30.649 5.615 -7.235 28 H MET 340 HN MET 340 32.872 3.631 -5.837 29 HA MET 340 HA MET 340 32.549 1.961 -3.584 30 HB2 MET 340 HB2 MET 340 34.411 0.702 -4.471 31 HB3 MET 340 HB1 MET 340 33.415 1.243 -5.824 32 HG2 MET 340 HG2 MET 340 35.133 3.356 -5.544 33 HG3 MET 340 HG1 MET 340 36.172 2.004 -5.099 34 HE1 MET 340 HE1 MET 340 34.877 4.064 -8.073 35 HE2 MET 340 HE2 MET 340 36.239 3.428 -8.990 36 HE3 MET 340 HE3 MET 340 36.487 4.002 -7.343 37 H ALA 341 HN ALA 341 33.957 4.931 -3.760 38 HA ALA 341 HA ALA 341 36.125 4.386 -1.873 39 HB1 ALA 341 HB1 ALA 341 36.471 5.939 -3.789 40 HB2 ALA 341 HB2 ALA 341 36.740 6.709 -2.224 41 HB3 ALA 341 HB3 ALA 341 35.239 7.002 -3.105 42 H TYR 342 HN TYR 342 32.929 5.819 -2.012 43 HA TYR 342 HA TYR 342 33.194 6.797 0.739 44 HD1 TYR 342 HD2 TYR 342 29.510 7.214 1.176 45 HD2 TYR 342 HD1 TYR 342 30.724 6.641 -2.902 46 HE1 TYR 342 HE2 TYR 342 27.270 6.298 0.637 47 HE2 TYR 342 HE1 TYR 342 28.488 5.723 -3.443 48 HH TYR 342 HH TYR 342 25.917 5.583 -0.977 49 HB2 TYR 342 HB2 TYR 342 31.542 8.288 0.263 50 HB3 TYR 342 HB1 TYR 342 32.058 7.972 -1.396 51 H LEU 343 HN LEU 343 31.044 4.662 -1.176 52 HA LEU 343 HA LEU 343 29.439 3.857 0.992 53 HG LEU 343 HG LEU 343 31.358 2.089 -1.473 54 HB2 LEU 343 HB2 LEU 343 28.569 2.184 -0.421 55 HB3 LEU 343 HB1 LEU 343 29.037 3.478 -1.517 56 HD11 LEU 343 HD11 LEU 343 29.919 0.365 0.003 57 HD12 LEU 343 HD12 LEU 343 31.113 -0.191 -1.166 58 HD13 LEU 343 HD13 LEU 343 29.404 -0.170 -1.594 59 HD21 LEU 343 HD21 LEU 343 30.446 0.953 -3.568 60 HD22 LEU 343 HD22 LEU 343 30.266 2.704 -3.513 61 HD23 LEU 343 HD23 LEU 343 28.886 1.668 -3.166 62 H SER 344 HN SER 344 32.666 3.096 0.176 63 HA SER 344 HA SER 344 32.729 0.623 1.716 64 HG SER 344 HG SER 344 34.770 -0.457 1.457 65 HB2 SER 344 HB2 SER 344 34.098 0.845 -0.334 66 HB3 SER 344 HB1 SER 344 34.976 2.179 0.411 67 H ALA 345 HN ALA 345 32.569 3.776 2.499 68 HA ALA 345 HA ALA 345 34.307 3.471 4.876 69 HB1 ALA 345 HB1 ALA 345 34.443 5.959 4.877 70 HB2 ALA 345 HB2 ALA 345 33.555 5.976 3.353 71 HB3 ALA 345 HB3 ALA 345 35.153 5.233 3.435 72 H GLU 346 HN GLU 346 31.249 3.105 4.082 73 HA GLU 346 HA GLU 346 30.292 4.091 6.668 74 HB2 GLU 346 HB2 GLU 346 28.254 5.053 5.593 75 HB3 GLU 346 HB1 GLU 346 29.733 5.924 5.187 76 HG2 GLU 346 HG2 GLU 346 29.483 5.467 2.999 77 HG3 GLU 346 HG1 GLU 346 29.293 3.746 3.329 78 H LEU 347 HN LEU 347 30.575 1.641 6.760 79 HA LEU 347 HA LEU 347 27.976 0.419 6.155 80 HG LEU 347 HG LEU 347 31.393 -0.333 6.410 81 HB2 LEU 347 HB2 LEU 347 29.154 -1.663 5.408 82 HB3 LEU 347 HB1 LEU 347 29.366 -0.294 4.314 83 HD11 LEU 347 HD11 LEU 347 31.254 -2.687 4.500 84 HD12 LEU 347 HD12 LEU 347 31.053 -2.773 6.252 85 HD13 LEU 347 HD13 LEU 347 32.610 -2.308 5.564 86 HD21 LEU 347 HD21 LEU 347 32.868 -0.096 4.442 87 HD22 LEU 347 HD22 LEU 347 31.499 1.011 4.343 88 HD23 LEU 347 HD23 LEU 347 31.509 -0.468 3.382 89 H PHE 348 HN PHE 348 30.098 1.241 8.426 90 HA PHE 348 HA PHE 348 29.429 -1.060 10.159 91 HD1 PHE 348 HD1 PHE 348 31.893 1.190 8.080 92 HD2 PHE 348 HD2 PHE 348 32.783 0.811 12.264 93 HE1 PHE 348 HE1 PHE 348 33.148 3.315 7.997 94 HE2 PHE 348 HE2 PHE 348 34.047 2.943 12.183 95 HZ PHE 348 HZ PHE 348 34.232 4.196 10.052 96 HB2 PHE 348 HB2 PHE 348 31.622 -0.912 11.186 97 HB3 PHE 348 HB1 PHE 348 31.830 -1.096 9.444 98 H HIS 349 HN HIS 349 29.565 2.308 9.636 99 HA HIS 349 HA HIS 349 29.614 3.228 12.314 100 HD2 HIS 349 HD2 HIS 349 28.499 3.399 7.999 101 HE1 HIS 349 HE1 HIS 349 25.163 5.895 8.675 102 HE2 HIS 349 HE2 HIS 349 26.252 4.304 7.023 103 HB2 HIS 349 HB2 HIS 349 29.017 5.350 11.422 104 HB3 HIS 349 HB1 HIS 349 30.039 4.576 10.210 105 H LEU 350 HN LEU 350 27.428 1.218 11.014 106 HA LEU 350 HA LEU 350 25.215 2.330 12.635 107 HG LEU 350 HG LEU 350 25.841 2.980 9.812 108 HB2 LEU 350 HB2 LEU 350 24.402 0.439 10.556 109 HB3 LEU 350 HB1 LEU 350 23.714 2.000 10.986 110 HD11 LEU 350 HD11 LEU 350 25.669 0.520 8.126 111 HD12 LEU 350 HD12 LEU 350 26.612 0.418 9.609 112 HD13 LEU 350 HD13 LEU 350 27.031 1.609 8.379 113 HD21 LEU 350 HD21 LEU 350 24.640 2.745 7.579 114 HD22 LEU 350 HD22 LEU 350 23.656 3.360 8.906 115 HD23 LEU 350 HD23 LEU 350 23.503 1.677 8.401 116 H SER 351 HN SER 351 27.476 0.407 13.195 117 HA SER 351 HA SER 351 26.837 -2.233 13.325 118 HG SER 351 HG SER 351 28.030 0.439 15.499 119 HB2 SER 351 HB2 SER 351 28.153 -2.376 15.359 120 HB3 SER 351 HB1 SER 351 28.893 -1.198 14.278 121 H GLY 352 HN GLY 352 24.631 -2.621 13.434 122 HA2 GLY 352 HA2 GLY 352 23.341 -3.490 15.557 123 HA3 GLY 352 HA1 GLY 352 23.152 -1.753 15.815 124 H ILE 353 HN ILE 353 22.948 -0.910 13.192 125 HA ILE 353 HA ILE 353 20.253 -1.830 12.510 126 HB ILE 353 HB ILE 353 21.892 0.556 11.633 127 HG12 ILE 353 HG12 ILE 353 19.246 0.978 12.799 128 HG13 ILE 353 HG11 ILE 353 20.318 0.103 13.892 129 HG21 ILE 353 HG21 ILE 353 20.640 0.361 9.732 130 HG22 ILE 353 HG22 ILE 353 19.366 1.039 10.746 131 HG23 ILE 353 HG23 ILE 353 19.462 -0.704 10.499 132 HD11 ILE 353 HD11 ILE 353 20.510 2.567 14.173 133 HD12 ILE 353 HD12 ILE 353 21.019 2.699 12.489 134 HD13 ILE 353 HD13 ILE 353 22.029 1.838 13.651 135 H MET 354 HN MET 354 23.536 -1.715 11.358 136 HA MET 354 HA MET 354 23.102 -2.422 8.651 137 HB2 MET 354 HB2 MET 354 25.501 -2.980 8.639 138 HB3 MET 354 HB1 MET 354 25.192 -1.413 9.382 139 HG2 MET 354 HG2 MET 354 26.650 -2.388 10.926 140 HG3 MET 354 HG1 MET 354 25.078 -2.798 11.612 141 HE1 MET 354 HE1 MET 354 27.936 -4.072 12.081 142 HE2 MET 354 HE2 MET 354 27.628 -5.805 12.157 143 HE3 MET 354 HE3 MET 354 26.551 -4.688 12.992 144 H ALA 355 HN ALA 355 23.381 -4.260 11.596 145 HA ALA 355 HA ALA 355 23.830 -6.795 10.327 146 HB1 ALA 355 HB1 ALA 355 22.767 -7.267 12.866 147 HB2 ALA 355 HB2 ALA 355 23.646 -5.743 13.024 148 HB3 ALA 355 HB3 ALA 355 24.477 -7.186 12.439 149 H LEU 356 HN LEU 356 21.189 -4.781 10.532 150 HA LEU 356 HA LEU 356 19.327 -7.036 10.078 151 HG LEU 356 HG LEU 356 20.046 -4.020 11.884 152 HB2 LEU 356 HB2 LEU 356 17.823 -4.826 10.961 153 HB3 LEU 356 HB1 LEU 356 18.100 -6.335 11.823 154 HD11 LEU 356 HD11 LEU 356 17.563 -4.553 13.456 155 HD12 LEU 356 HD12 LEU 356 18.281 -3.014 12.977 156 HD13 LEU 356 HD13 LEU 356 18.965 -3.925 14.324 157 HD21 LEU 356 HD21 LEU 356 21.324 -5.436 13.085 158 HD22 LEU 356 HD22 LEU 356 20.159 -6.721 12.784 159 HD23 LEU 356 HD23 LEU 356 20.002 -5.705 14.216 160 H ILE 357 HN ILE 357 20.687 -4.084 9.031 161 HA ILE 357 HA ILE 357 18.932 -2.729 7.541 162 HB ILE 357 HB ILE 357 21.744 -3.512 7.130 163 HG12 ILE 357 HG12 ILE 357 21.059 -1.398 8.217 164 HG13 ILE 357 HG11 ILE 357 22.018 -1.097 6.777 165 HG21 ILE 357 HG21 ILE 357 21.803 -2.467 4.827 166 HG22 ILE 357 HG22 ILE 357 20.054 -2.646 4.772 167 HG23 ILE 357 HG23 ILE 357 21.088 -4.074 4.895 168 HD11 ILE 357 HD11 ILE 357 19.360 -1.184 5.866 169 HD12 ILE 357 HD12 ILE 357 20.356 0.253 6.080 170 HD13 ILE 357 HD13 ILE 357 19.300 -0.290 7.382 171 H ALA 358 HN ALA 358 20.255 -5.882 6.624 172 HA ALA 358 HA ALA 358 18.455 -6.014 4.317 173 HB1 ALA 358 HB1 ALA 358 20.376 -8.157 5.209 174 HB2 ALA 358 HB2 ALA 358 20.912 -6.752 4.287 175 HB3 ALA 358 HB3 ALA 358 19.731 -7.865 3.593 176 H SER 359 HN SER 359 18.714 -7.172 7.566 177 HA SER 359 HA SER 359 16.769 -9.311 7.151 178 HG SER 359 HG SER 359 18.160 -11.011 8.758 179 HB2 SER 359 HB2 SER 359 18.859 -9.034 8.898 180 HB3 SER 359 HB1 SER 359 17.488 -8.586 9.910 181 H GLY 360 HN GLY 360 16.556 -6.061 7.402 182 HA2 GLY 360 HA2 GLY 360 13.849 -6.224 8.550 183 HA3 GLY 360 HA1 GLY 360 14.972 -5.021 9.179 184 H VAL 361 HN VAL 361 14.280 -6.160 5.873 185 HA VAL 361 HA VAL 361 12.935 -3.778 5.084 186 HB VAL 361 HB VAL 361 15.475 -3.163 5.324 187 HG11 VAL 361 HG11 VAL 361 16.872 -3.745 3.521 188 HG12 VAL 361 HG12 VAL 361 15.516 -4.234 2.507 189 HG13 VAL 361 HG13 VAL 361 16.015 -5.249 3.861 190 HG21 VAL 361 HG21 VAL 361 13.861 -2.559 2.825 191 HG22 VAL 361 HG22 VAL 361 15.227 -1.610 3.407 192 HG23 VAL 361 HG23 VAL 361 13.746 -1.698 4.359 193 H VAL 362 HN VAL 362 13.535 -6.911 4.802 194 HA VAL 362 HA VAL 362 13.492 -7.248 1.935 195 HB VAL 362 HB VAL 362 13.106 -9.177 4.231 196 HG11 VAL 362 HG11 VAL 362 11.917 -10.232 2.516 197 HG12 VAL 362 HG12 VAL 362 13.551 -10.840 2.248 198 HG13 VAL 362 HG13 VAL 362 12.924 -9.528 1.251 199 HG21 VAL 362 HG21 VAL 362 15.351 -9.431 4.152 200 HG22 VAL 362 HG22 VAL 362 15.388 -7.979 3.150 201 HG23 VAL 362 HG23 VAL 362 15.338 -9.572 2.394 202 H MET 363 HN MET 363 11.210 -6.305 4.159 203 HA MET 363 HA MET 363 9.054 -6.640 2.282 204 HB2 MET 363 HB2 MET 363 7.709 -7.814 4.273 205 HB3 MET 363 HB1 MET 363 8.580 -8.746 3.055 206 HG2 MET 363 HG2 MET 363 9.040 -9.401 5.476 207 HG3 MET 363 HG1 MET 363 10.464 -9.047 4.500 208 HE1 MET 363 HE1 MET 363 9.615 -8.976 7.797 209 HE2 MET 363 HE2 MET 363 10.822 -7.810 8.332 210 HE3 MET 363 HE3 MET 363 11.276 -9.079 7.197 211 H ARG 364 HN ARG 364 6.885 -6.080 3.651 212 HA ARG 364 HA ARG 364 7.475 -3.952 5.582 213 HE ARG 364 HE ARG 364 5.523 0.484 5.184 214 HB2 ARG 364 HB2 ARG 364 7.350 -3.014 3.207 215 HB3 ARG 364 HB1 ARG 364 5.640 -3.443 3.243 216 HG2 ARG 364 HG2 ARG 364 5.957 -2.156 5.655 217 HG3 ARG 364 HG1 ARG 364 7.047 -1.248 4.605 218 HD2 ARG 364 HD2 ARG 364 5.109 -1.174 2.925 219 HD3 ARG 364 HD1 ARG 364 4.085 -1.723 4.248 220 HH11 ARG 364 HH21 ARG 364 3.200 -0.307 2.745 221 HH12 ARG 364 HH22 ARG 364 2.466 1.262 2.740 222 HH21 ARG 364 HH11 ARG 364 4.566 2.544 5.183 223 HH22 ARG 364 HH12 ARG 364 3.239 2.876 4.120 224 HA PRO 365 HA PRO 365 3.700 -6.392 6.625 225 HB2 PRO 365 HB2 PRO 365 4.551 -7.369 9.008 226 HB3 PRO 365 HB1 PRO 365 4.946 -8.147 7.464 227 HG2 PRO 365 HG2 PRO 365 6.640 -6.477 9.225 228 HG3 PRO 365 HG1 PRO 365 7.086 -7.825 8.171 229 HD2 PRO 365 HD2 PRO 365 7.417 -5.099 7.590 230 HD3 PRO 365 HD1 PRO 365 7.521 -6.432 6.421 231 H LYS 366 HN LYS 366 5.683 -4.786 9.133 232 HA LYS 366 HA LYS 366 5.167 -3.202 10.714 233 HB2 LYS 366 HB2 LYS 366 2.746 -2.502 9.059 234 HB3 LYS 366 HB1 LYS 366 3.710 -1.448 10.094 235 HG2 LYS 366 HG2 LYS 366 5.674 -1.983 8.518 236 HG3 LYS 366 HG1 LYS 366 4.455 -2.616 7.412 237 HD2 LYS 366 HD2 LYS 366 4.516 0.193 8.554 238 HD3 LYS 366 HD1 LYS 366 4.939 -0.258 6.902 239 HE2 LYS 366 HE2 LYS 366 2.571 -1.304 6.798 240 HE3 LYS 366 HE1 LYS 366 2.235 -0.333 8.233 241 HZ1 LYS 366 HZ1 LYS 366 3.490 1.381 6.512 242 HZ2 LYS 366 HZ2 LYS 366 1.823 1.324 6.838 243 HZ3 LYS 366 HZ3 LYS 366 2.460 0.482 5.508 244 H LYS 367 HN LYS 367 4.126 -5.895 10.963 245 HA LYS 367 HA LYS 367 2.646 -7.112 12.234 246 HB2 LYS 367 HB2 LYS 367 2.381 -4.444 13.642 247 HB3 LYS 367 HB1 LYS 367 1.839 -5.993 14.288 248 HG2 LYS 367 HG2 LYS 367 4.676 -5.747 13.353 249 HG3 LYS 367 HG1 LYS 367 4.238 -5.035 14.905 250 HD2 LYS 367 HD2 LYS 367 3.288 -7.813 14.374 251 HD3 LYS 367 HD1 LYS 367 5.010 -7.597 14.679 252 HE2 LYS 367 HE2 LYS 367 3.452 -8.002 16.718 253 HE3 LYS 367 HE1 LYS 367 4.649 -6.712 16.829 254 HZ1 LYS 367 HZ1 LYS 367 2.474 -5.969 17.569 255 HZ2 LYS 367 HZ2 LYS 367 1.801 -6.368 16.061 256 HZ3 LYS 367 HZ3 LYS 367 2.954 -5.125 16.177 257 H1 ACE 336 HA2 ACE 336 36.689 9.756 -8.785 258 H2 ACE 336 HA3 ACE 336 38.173 8.812 -8.931 259 H3 ACE 336 HA1 ACE 336 38.251 10.515 -8.480 260 HN1 NH2 368 HN1 NH2 368 1.407 -6.433 9.875 261 HN2 NH2 368 HN2 NH2 368 -0.203 -5.975 10.156 Start of MODEL 11 1 HA LYS 337 HA LYS 337 35.350 8.376 -4.828 2 H1 LYS 337 HN LYS 337 34.210 10.978 -4.887 3 HB2 LYS 337 HB2 LYS 337 36.843 8.527 -2.977 4 HB3 LYS 337 HB1 LYS 337 37.310 9.805 -4.092 5 HG2 LYS 337 HG2 LYS 337 35.708 10.099 -1.533 6 HG3 LYS 337 HG1 LYS 337 37.302 10.756 -1.880 7 HD2 LYS 337 HD2 LYS 337 36.180 12.036 -3.806 8 HD3 LYS 337 HD1 LYS 337 34.648 11.608 -3.038 9 HE2 LYS 337 HE2 LYS 337 36.930 13.125 -1.743 10 HE3 LYS 337 HE1 LYS 337 35.386 13.806 -2.252 11 HZ1 LYS 337 HZ1 LYS 337 35.779 13.025 0.201 12 HZ2 LYS 337 HZ2 LYS 337 35.360 11.508 -0.438 13 HZ3 LYS 337 HZ3 LYS 337 34.275 12.810 -0.552 14 H SER 338 HN SER 338 32.802 9.962 -4.473 15 HA SER 338 HA SER 338 32.009 8.949 -1.809 16 HG SER 338 HG SER 338 29.720 11.461 -1.346 17 HB2 SER 338 HB2 SER 338 31.772 11.426 -2.306 18 HB3 SER 338 HB1 SER 338 30.530 10.986 -3.474 19 H TYR 339 HN TYR 339 32.103 6.939 -3.561 20 HA TYR 339 HA TYR 339 29.412 6.043 -3.679 21 HD1 TYR 339 HD1 TYR 339 32.535 6.743 -5.860 22 HD2 TYR 339 HD2 TYR 339 28.971 9.020 -6.612 23 HE1 TYR 339 HE1 TYR 339 33.915 8.629 -6.658 24 HE2 TYR 339 HE2 TYR 339 30.355 10.915 -7.408 25 HH TYR 339 HH TYR 339 32.502 11.408 -8.217 26 HB2 TYR 339 HB2 TYR 339 29.895 5.778 -6.400 27 HB3 TYR 339 HB1 TYR 339 28.783 6.911 -5.646 28 H MET 340 HN MET 340 31.726 5.229 -6.202 29 HA MET 340 HA MET 340 31.814 2.490 -5.271 30 HB2 MET 340 HB2 MET 340 33.205 2.124 -7.289 31 HB3 MET 340 HB1 MET 340 31.687 2.938 -7.668 32 HG2 MET 340 HG2 MET 340 33.554 4.973 -7.029 33 HG3 MET 340 HG1 MET 340 34.377 3.858 -8.120 34 HE1 MET 340 HE1 MET 340 34.360 6.340 -8.854 35 HE2 MET 340 HE2 MET 340 32.838 7.224 -8.793 36 HE3 MET 340 HE3 MET 340 33.491 6.714 -10.348 37 H ALA 341 HN ALA 341 33.263 5.077 -4.079 38 HA ALA 341 HA ALA 341 35.876 3.744 -3.684 39 HB1 ALA 341 HB1 ALA 341 36.930 5.815 -3.592 40 HB2 ALA 341 HB2 ALA 341 35.433 6.670 -3.222 41 HB3 ALA 341 HB3 ALA 341 35.717 6.058 -4.850 42 H TYR 342 HN TYR 342 33.367 5.681 -2.048 43 HA TYR 342 HA TYR 342 34.613 5.304 0.541 44 HD1 TYR 342 HD1 TYR 342 31.543 5.227 -1.603 45 HD2 TYR 342 HD2 TYR 342 30.992 7.374 2.075 46 HE1 TYR 342 HE1 TYR 342 29.101 4.809 -1.727 47 HE2 TYR 342 HE2 TYR 342 28.549 6.960 1.951 48 HH TYR 342 HH TYR 342 26.897 6.052 0.792 49 HB2 TYR 342 HB2 TYR 342 33.171 6.914 1.313 50 HB3 TYR 342 HB1 TYR 342 33.190 7.328 -0.400 51 H LEU 343 HN LEU 343 32.753 3.239 -1.261 52 HA LEU 343 HA LEU 343 30.740 2.352 0.439 53 HG LEU 343 HG LEU 343 33.658 0.820 -0.914 54 HB2 LEU 343 HB2 LEU 343 31.066 0.096 -0.617 55 HB3 LEU 343 HB1 LEU 343 30.869 1.410 -1.769 56 HD11 LEU 343 HD11 LEU 343 33.010 -1.444 -1.134 57 HD12 LEU 343 HD12 LEU 343 33.698 -1.030 -2.705 58 HD13 LEU 343 HD13 LEU 343 31.948 -1.094 -2.497 59 HD21 LEU 343 HD21 LEU 343 32.832 0.925 -3.764 60 HD22 LEU 343 HD22 LEU 343 34.187 1.706 -2.951 61 HD23 LEU 343 HD23 LEU 343 32.576 2.405 -2.840 62 H SER 344 HN SER 344 34.172 2.036 0.739 63 HA SER 344 HA SER 344 33.991 -0.045 2.776 64 HG SER 344 HG SER 344 36.402 -0.705 3.393 65 HB2 SER 344 HB2 SER 344 35.941 0.638 0.952 66 HB3 SER 344 HB1 SER 344 36.569 1.311 2.454 67 H ALA 345 HN ALA 345 33.755 3.307 2.609 68 HA ALA 345 HA ALA 345 34.620 3.651 5.413 69 HB1 ALA 345 HB1 ALA 345 33.964 6.079 3.916 70 HB2 ALA 345 HB2 ALA 345 35.265 5.142 3.179 71 HB3 ALA 345 HB3 ALA 345 35.407 5.688 4.851 72 H GLU 346 HN GLU 346 32.055 2.487 4.481 73 HA GLU 346 HA GLU 346 30.317 4.007 6.202 74 HB2 GLU 346 HB2 GLU 346 28.586 4.429 4.472 75 HB3 GLU 346 HB1 GLU 346 30.067 5.345 4.183 76 HG2 GLU 346 HG2 GLU 346 30.262 4.391 2.160 77 HG3 GLU 346 HG1 GLU 346 30.365 2.807 2.925 78 H LEU 347 HN LEU 347 30.881 1.617 6.864 79 HA LEU 347 HA LEU 347 28.564 0.003 6.053 80 HG LEU 347 HG LEU 347 31.869 -0.321 7.212 81 HB2 LEU 347 HB2 LEU 347 29.987 -2.035 6.031 82 HB3 LEU 347 HB1 LEU 347 30.417 -0.889 4.762 83 HD11 LEU 347 HD11 LEU 347 33.287 -2.339 7.194 84 HD12 LEU 347 HD12 LEU 347 32.245 -3.059 5.966 85 HD13 LEU 347 HD13 LEU 347 31.616 -2.747 7.584 86 HD21 LEU 347 HD21 LEU 347 33.784 -0.459 5.650 87 HD22 LEU 347 HD22 LEU 347 32.474 0.512 4.977 88 HD23 LEU 347 HD23 LEU 347 32.721 -1.143 4.419 89 H PHE 348 HN PHE 348 30.005 1.556 8.437 90 HA PHE 348 HA PHE 348 29.020 -0.309 10.495 91 HD1 PHE 348 HD1 PHE 348 31.891 1.551 8.549 92 HD2 PHE 348 HD2 PHE 348 31.908 2.003 12.819 93 HE1 PHE 348 HE1 PHE 348 33.160 3.654 8.312 94 HE2 PHE 348 HE2 PHE 348 33.188 4.113 12.586 95 HZ PHE 348 HZ PHE 348 33.817 4.940 10.335 96 HB2 PHE 348 HB2 PHE 348 30.952 0.085 11.881 97 HB3 PHE 348 HB1 PHE 348 31.533 -0.437 10.300 98 H HIS 349 HN HIS 349 29.438 2.843 9.229 99 HA HIS 349 HA HIS 349 28.926 4.410 11.521 100 HD2 HIS 349 HD2 HIS 349 28.341 2.849 7.795 101 HE1 HIS 349 HE1 HIS 349 26.241 5.881 5.741 102 HE2 HIS 349 HE2 HIS 349 26.897 3.428 5.698 103 HB2 HIS 349 HB2 HIS 349 28.442 6.200 9.951 104 HB3 HIS 349 HB1 HIS 349 29.833 5.279 9.375 105 H LEU 350 HN LEU 350 26.942 2.230 9.904 106 HA LEU 350 HA LEU 350 24.539 3.434 11.133 107 HG LEU 350 HG LEU 350 25.495 4.453 8.523 108 HB2 LEU 350 HB2 LEU 350 24.719 2.080 8.432 109 HB3 LEU 350 HB1 LEU 350 23.218 2.570 9.214 110 HD11 LEU 350 HD11 LEU 350 23.870 5.289 6.787 111 HD12 LEU 350 HD12 LEU 350 22.867 3.880 7.131 112 HD13 LEU 350 HD13 LEU 350 24.489 3.669 6.473 113 HD21 LEU 350 HD21 LEU 350 24.369 5.579 10.203 114 HD22 LEU 350 HD22 LEU 350 22.846 4.748 9.890 115 HD23 LEU 350 HD23 LEU 350 23.374 6.051 8.827 116 H SER 351 HN SER 351 25.945 1.684 12.586 117 HA SER 351 HA SER 351 25.599 -1.040 12.241 118 HG SER 351 HG SER 351 24.421 -1.332 14.938 119 HB2 SER 351 HB2 SER 351 26.933 -0.389 14.065 120 HB3 SER 351 HB1 SER 351 25.693 0.685 14.706 121 H GLY 352 HN GLY 352 23.719 -1.883 11.545 122 HA2 GLY 352 HA2 GLY 352 21.657 -2.793 12.804 123 HA3 GLY 352 HA1 GLY 352 21.213 -1.088 12.881 124 H ILE 353 HN ILE 353 21.935 -0.149 10.445 125 HA ILE 353 HA ILE 353 19.968 -1.423 8.700 126 HB ILE 353 HB ILE 353 21.521 1.161 8.416 127 HG12 ILE 353 HG12 ILE 353 18.613 1.280 8.692 128 HG13 ILE 353 HG11 ILE 353 19.384 0.533 10.093 129 HG21 ILE 353 HG21 ILE 353 19.701 1.580 6.664 130 HG22 ILE 353 HG22 ILE 353 19.370 -0.150 6.742 131 HG23 ILE 353 HG23 ILE 353 20.955 0.422 6.220 132 HD11 ILE 353 HD11 ILE 353 20.177 3.198 8.882 133 HD12 ILE 353 HD12 ILE 353 20.897 2.455 10.310 134 HD13 ILE 353 HD13 ILE 353 19.218 2.994 10.348 135 H MET 354 HN MET 354 23.393 -0.662 8.849 136 HA MET 354 HA MET 354 24.040 -1.571 6.226 137 HB2 MET 354 HB2 MET 354 26.353 -1.364 6.941 138 HB3 MET 354 HB1 MET 354 25.437 0.037 7.498 139 HG2 MET 354 HG2 MET 354 26.567 -0.544 9.446 140 HG3 MET 354 HG1 MET 354 25.065 -1.446 9.651 141 HE1 MET 354 HE1 MET 354 25.901 -3.152 11.265 142 HE2 MET 354 HE2 MET 354 27.409 -2.245 11.351 143 HE3 MET 354 HE3 MET 354 27.453 -3.995 11.154 144 H ALA 355 HN ALA 355 23.694 -3.067 9.335 145 HA ALA 355 HA ALA 355 25.155 -5.456 8.747 146 HB1 ALA 355 HB1 ALA 355 24.907 -5.694 10.960 147 HB2 ALA 355 HB2 ALA 355 23.176 -5.949 10.731 148 HB3 ALA 355 HB3 ALA 355 23.800 -4.320 10.992 149 H LEU 356 HN LEU 356 22.061 -4.266 7.922 150 HA LEU 356 HA LEU 356 21.228 -6.961 7.033 151 HG LEU 356 HG LEU 356 20.266 -3.653 8.108 152 HB2 LEU 356 HB2 LEU 356 18.905 -6.220 7.275 153 HB3 LEU 356 HB1 LEU 356 19.771 -6.076 8.798 154 HD11 LEU 356 HD11 LEU 356 18.465 -4.496 5.916 155 HD12 LEU 356 HD12 LEU 356 19.602 -3.156 5.989 156 HD13 LEU 356 HD13 LEU 356 18.003 -2.991 6.705 157 HD21 LEU 356 HD21 LEU 356 18.104 -2.897 9.019 158 HD22 LEU 356 HD22 LEU 356 18.703 -4.301 9.901 159 HD23 LEU 356 HD23 LEU 356 17.416 -4.490 8.709 160 H ILE 357 HN ILE 357 22.276 -3.934 6.062 161 HA ILE 357 HA ILE 357 20.862 -3.074 3.920 162 HB ILE 357 HB ILE 357 23.716 -3.159 4.581 163 HG12 ILE 357 HG12 ILE 357 22.000 -1.130 3.111 164 HG13 ILE 357 HG11 ILE 357 22.173 -1.211 4.860 165 HG21 ILE 357 HG21 ILE 357 24.452 -2.503 2.261 166 HG22 ILE 357 HG22 ILE 357 22.891 -3.039 1.657 167 HG23 ILE 357 HG23 ILE 357 24.004 -4.196 2.398 168 HD11 ILE 357 HD11 ILE 357 24.803 -1.202 3.913 169 HD12 ILE 357 HD12 ILE 357 23.950 0.158 4.643 170 HD13 ILE 357 HD13 ILE 357 23.963 -0.036 2.891 171 H ALA 358 HN ALA 358 22.967 -5.918 3.975 172 HA ALA 358 HA ALA 358 22.148 -6.648 1.260 173 HB1 ALA 358 HB1 ALA 358 24.539 -6.870 2.411 174 HB2 ALA 358 HB2 ALA 358 23.981 -8.033 1.208 175 HB3 ALA 358 HB3 ALA 358 23.872 -8.420 2.924 176 H SER 359 HN SER 359 21.407 -7.400 4.544 177 HA SER 359 HA SER 359 20.138 -9.943 3.869 178 HG SER 359 HG SER 359 18.827 -9.198 7.064 179 HB2 SER 359 HB2 SER 359 20.235 -10.410 6.088 180 HB3 SER 359 HB1 SER 359 21.417 -9.103 6.113 181 H GLY 360 HN GLY 360 19.305 -6.812 3.489 182 HA2 GLY 360 HA2 GLY 360 16.444 -7.447 3.596 183 HA3 GLY 360 HA1 GLY 360 17.001 -6.042 4.498 184 H VAL 361 HN VAL 361 17.644 -7.409 1.260 185 HA VAL 361 HA VAL 361 16.451 -5.220 -0.116 186 HB VAL 361 HB VAL 361 18.724 -4.352 0.879 187 HG11 VAL 361 HG11 VAL 361 19.748 -5.543 -1.694 188 HG12 VAL 361 HG12 VAL 361 19.872 -6.434 -0.176 189 HG13 VAL 361 HG13 VAL 361 20.666 -4.870 -0.349 190 HG21 VAL 361 HG21 VAL 361 19.058 -3.216 -1.512 191 HG22 VAL 361 HG22 VAL 361 17.659 -2.835 -0.509 192 HG23 VAL 361 HG23 VAL 361 17.507 -3.993 -1.831 193 H VAL 362 HN VAL 362 17.307 -8.288 0.067 194 HA VAL 362 HA VAL 362 18.015 -8.666 -2.756 195 HB VAL 362 HB VAL 362 17.652 -10.873 -0.745 196 HG11 VAL 362 HG11 VAL 362 17.984 -11.455 -3.116 197 HG12 VAL 362 HG12 VAL 362 19.386 -11.930 -2.156 198 HG13 VAL 362 HG13 VAL 362 19.452 -10.478 -3.156 199 HG21 VAL 362 HG21 VAL 362 20.319 -10.421 -0.660 200 HG22 VAL 362 HG22 VAL 362 19.198 -9.737 0.517 201 HG23 VAL 362 HG23 VAL 362 19.747 -8.763 -0.848 202 H MET 363 HN MET 363 16.560 -9.244 -4.241 203 HA MET 363 HA MET 363 14.038 -10.496 -3.369 204 HB2 MET 363 HB2 MET 363 13.607 -8.694 -5.591 205 HB3 MET 363 HB1 MET 363 12.760 -8.784 -4.046 206 HG2 MET 363 HG2 MET 363 14.604 -7.498 -2.984 207 HG3 MET 363 HG1 MET 363 15.388 -7.358 -4.557 208 HE1 MET 363 HE1 MET 363 13.111 -4.220 -2.867 209 HE2 MET 363 HE2 MET 363 14.528 -5.191 -2.478 210 HE3 MET 363 HE3 MET 363 12.920 -5.801 -2.097 211 H ARG 364 HN ARG 364 15.463 -9.292 -6.409 212 HA ARG 364 HA ARG 364 15.352 -12.036 -7.468 213 HE ARG 364 HE ARG 364 13.518 -13.780 -11.044 214 HB2 ARG 364 HB2 ARG 364 13.422 -10.447 -8.193 215 HB3 ARG 364 HB1 ARG 364 14.652 -9.687 -9.203 216 HG2 ARG 364 HG2 ARG 364 13.986 -11.291 -10.698 217 HG3 ARG 364 HG1 ARG 364 15.130 -12.282 -9.791 218 HD2 ARG 364 HD2 ARG 364 13.278 -13.036 -8.320 219 HD3 ARG 364 HD1 ARG 364 12.147 -12.095 -9.288 220 HH11 ARG 364 HH21 ARG 364 11.411 -13.985 -8.307 221 HH12 ARG 364 HH22 ARG 364 10.696 -15.485 -8.795 222 HH21 ARG 364 HH11 ARG 364 12.583 -15.748 -11.692 223 HH22 ARG 364 HH12 ARG 364 11.359 -16.482 -10.711 224 HA PRO 365 HA PRO 365 19.413 -9.957 -8.334 225 HB2 PRO 365 HB2 PRO 365 21.010 -11.692 -6.999 226 HB3 PRO 365 HB1 PRO 365 20.190 -10.342 -6.188 227 HG2 PRO 365 HG2 PRO 365 19.485 -13.229 -6.236 228 HG3 PRO 365 HG1 PRO 365 19.364 -12.058 -4.914 229 HD2 PRO 365 HD2 PRO 365 17.244 -12.880 -6.492 230 HD3 PRO 365 HD1 PRO 365 17.280 -11.363 -5.567 231 H LYS 366 HN LYS 366 18.467 -13.360 -8.374 232 HA LYS 366 HA LYS 366 18.886 -15.069 -9.848 233 HB2 LYS 366 HB2 LYS 366 19.479 -12.814 -11.779 234 HB3 LYS 366 HB1 LYS 366 19.063 -14.475 -12.200 235 HG2 LYS 366 HG2 LYS 366 16.870 -14.002 -12.047 236 HG3 LYS 366 HG1 LYS 366 17.081 -13.435 -10.391 237 HD2 LYS 366 HD2 LYS 366 16.176 -11.631 -11.790 238 HD3 LYS 366 HD1 LYS 366 17.808 -11.226 -11.257 239 HE2 LYS 366 HE2 LYS 366 18.512 -11.086 -13.388 240 HE3 LYS 366 HE1 LYS 366 17.947 -12.725 -13.713 241 HZ1 LYS 366 HZ1 LYS 366 15.652 -11.655 -13.855 242 HZ2 LYS 366 HZ2 LYS 366 16.720 -11.399 -15.152 243 HZ3 LYS 366 HZ3 LYS 366 16.477 -10.178 -13.995 244 H LYS 367 HN LYS 367 21.033 -14.238 -8.166 245 HA LYS 367 HA LYS 367 23.298 -14.517 -7.893 246 HB2 LYS 367 HB2 LYS 367 22.928 -16.264 -10.339 247 HB3 LYS 367 HB1 LYS 367 24.343 -16.269 -9.284 248 HG2 LYS 367 HG2 LYS 367 22.750 -16.769 -7.359 249 HG3 LYS 367 HG1 LYS 367 21.508 -17.056 -8.578 250 HD2 LYS 367 HD2 LYS 367 23.562 -18.550 -9.578 251 HD3 LYS 367 HD1 LYS 367 23.845 -18.710 -7.844 252 HE2 LYS 367 HE2 LYS 367 21.259 -19.315 -9.305 253 HE3 LYS 367 HE1 LYS 367 22.350 -20.493 -8.577 254 HZ1 LYS 367 HZ1 LYS 367 21.909 -19.587 -6.423 255 HZ2 LYS 367 HZ2 LYS 367 20.424 -19.937 -7.168 256 HZ3 LYS 367 HZ3 LYS 367 20.974 -18.333 -7.077 257 H1 ACE 336 HA2 ACE 336 34.543 12.385 -6.490 258 H2 ACE 336 HA3 ACE 336 35.211 11.620 -7.932 259 H3 ACE 336 HA1 ACE 336 36.243 12.613 -6.902 260 HN1 NH2 368 HN1 NH2 368 25.429 -14.719 -9.725 261 HN2 NH2 368 HN2 NH2 368 25.479 -13.313 -10.675 Start of MODEL 12 1 HA LYS 337 HA LYS 337 36.481 8.187 -4.545 2 H1 LYS 337 HN LYS 337 35.677 9.894 -6.667 3 HB2 LYS 337 HB2 LYS 337 36.883 9.735 -2.780 4 HB3 LYS 337 HB1 LYS 337 37.915 10.230 -4.117 5 HG2 LYS 337 HG2 LYS 337 35.285 11.485 -3.275 6 HG3 LYS 337 HG1 LYS 337 36.883 12.216 -3.224 7 HD2 LYS 337 HD2 LYS 337 36.949 11.840 -5.771 8 HD3 LYS 337 HD1 LYS 337 35.210 11.562 -5.648 9 HE2 LYS 337 HE2 LYS 337 35.562 13.904 -6.154 10 HE3 LYS 337 HE1 LYS 337 35.009 13.780 -4.483 11 HZ1 LYS 337 HZ1 LYS 337 37.792 13.544 -4.496 12 HZ2 LYS 337 HZ2 LYS 337 36.848 14.797 -3.842 13 HZ3 LYS 337 HZ3 LYS 337 37.394 14.891 -5.448 14 H SER 338 HN SER 338 34.190 8.982 -6.355 15 HA SER 338 HA SER 338 32.129 9.371 -4.266 16 HG SER 338 HG SER 338 33.159 9.672 -7.413 17 HB2 SER 338 HB2 SER 338 30.702 10.121 -6.247 18 HB3 SER 338 HB1 SER 338 31.989 11.213 -5.743 19 H TYR 339 HN TYR 339 32.729 6.886 -4.192 20 HA TYR 339 HA TYR 339 30.479 5.465 -4.989 21 HD1 TYR 339 HD1 TYR 339 34.134 5.573 -5.399 22 HD2 TYR 339 HD2 TYR 339 32.093 6.052 -9.148 23 HE1 TYR 339 HE1 TYR 339 36.115 6.719 -6.326 24 HE2 TYR 339 HE2 TYR 339 34.085 7.200 -10.080 25 HH TYR 339 HH TYR 339 36.326 7.556 -9.737 26 HB2 TYR 339 HB2 TYR 339 31.862 3.979 -6.750 27 HB3 TYR 339 HB1 TYR 339 30.890 5.359 -7.225 28 H MET 340 HN MET 340 33.210 3.556 -5.729 29 HA MET 340 HA MET 340 32.894 1.888 -3.483 30 HB2 MET 340 HB2 MET 340 34.848 0.735 -4.263 31 HB3 MET 340 HB1 MET 340 33.960 1.272 -5.691 32 HG2 MET 340 HG2 MET 340 35.546 3.441 -5.248 33 HG3 MET 340 HG1 MET 340 36.597 2.149 -4.669 34 HE1 MET 340 HE1 MET 340 35.479 4.107 -7.770 35 HE2 MET 340 HE2 MET 340 36.949 3.562 -8.574 36 HE3 MET 340 HE3 MET 340 37.028 4.157 -6.918 37 H ALA 341 HN ALA 341 34.099 4.951 -3.597 38 HA ALA 341 HA ALA 341 36.173 4.563 -1.568 39 HB1 ALA 341 HB1 ALA 341 36.569 6.108 -3.464 40 HB2 ALA 341 HB2 ALA 341 36.641 6.930 -1.904 41 HB3 ALA 341 HB3 ALA 341 35.206 7.088 -2.921 42 H TYR 342 HN TYR 342 32.954 5.943 -1.959 43 HA TYR 342 HA TYR 342 32.970 6.888 0.807 44 HD1 TYR 342 HD2 TYR 342 29.308 7.224 1.042 45 HD2 TYR 342 HD1 TYR 342 30.698 6.655 -2.981 46 HE1 TYR 342 HE2 TYR 342 27.112 6.258 0.419 47 HE2 TYR 342 HE1 TYR 342 28.504 5.688 -3.605 48 HH TYR 342 HH TYR 342 26.589 4.480 -2.296 49 HB2 TYR 342 HB2 TYR 342 31.350 8.349 0.191 50 HB3 TYR 342 HB1 TYR 342 31.952 8.003 -1.434 51 H LEU 343 HN LEU 343 31.022 4.689 -1.259 52 HA LEU 343 HA LEU 343 29.325 3.860 0.844 53 HG LEU 343 HG LEU 343 31.317 2.513 -1.776 54 HB2 LEU 343 HB2 LEU 343 28.647 2.032 -0.607 55 HB3 LEU 343 HB1 LEU 343 28.771 3.519 -1.542 56 HD11 LEU 343 HD11 LEU 343 31.270 0.169 -2.073 57 HD12 LEU 343 HD12 LEU 343 29.509 0.123 -2.128 58 HD13 LEU 343 HD13 LEU 343 30.335 0.413 -0.598 59 HD21 LEU 343 HD21 LEU 343 30.625 1.874 -4.054 60 HD22 LEU 343 HD22 LEU 343 29.851 3.388 -3.590 61 HD23 LEU 343 HD23 LEU 343 28.935 1.883 -3.554 62 H SER 344 HN SER 344 32.584 3.213 0.223 63 HA SER 344 HA SER 344 32.594 0.656 1.644 64 HG SER 344 HG SER 344 35.180 -0.416 0.567 65 HB2 SER 344 HB2 SER 344 34.063 1.067 -0.361 66 HB3 SER 344 HB1 SER 344 34.948 2.247 0.601 67 H ALA 345 HN ALA 345 32.357 3.780 2.511 68 HA ALA 345 HA ALA 345 33.982 3.433 4.962 69 HB1 ALA 345 HB1 ALA 345 34.030 5.928 5.050 70 HB2 ALA 345 HB2 ALA 345 33.234 5.961 3.476 71 HB3 ALA 345 HB3 ALA 345 34.848 5.266 3.635 72 H GLU 346 HN GLU 346 30.954 3.094 3.952 73 HA GLU 346 HA GLU 346 29.842 3.991 6.524 74 HB2 GLU 346 HB2 GLU 346 27.804 4.807 5.318 75 HB3 GLU 346 HB1 GLU 346 29.249 5.769 4.999 76 HG2 GLU 346 HG2 GLU 346 29.197 5.266 2.806 77 HG3 GLU 346 HG1 GLU 346 29.040 3.544 3.145 78 H LEU 347 HN LEU 347 30.378 1.500 6.471 79 HA LEU 347 HA LEU 347 27.825 0.147 5.915 80 HG LEU 347 HG LEU 347 31.299 -0.236 5.991 81 HB2 LEU 347 HB2 LEU 347 29.083 -1.841 5.093 82 HB3 LEU 347 HB1 LEU 347 29.254 -0.436 4.038 83 HD11 LEU 347 HD11 LEU 347 31.100 -2.991 4.733 84 HD12 LEU 347 HD12 LEU 347 31.001 -2.625 6.455 85 HD13 LEU 347 HD13 LEU 347 32.514 -2.371 5.585 86 HD21 LEU 347 HD21 LEU 347 32.755 -0.540 3.988 87 HD22 LEU 347 HD22 LEU 347 31.431 0.585 3.687 88 HD23 LEU 347 HD23 LEU 347 31.344 -1.066 3.070 89 H PHE 348 HN PHE 348 29.961 1.068 8.151 90 HA PHE 348 HA PHE 348 29.256 -1.143 9.946 91 HD1 PHE 348 HD1 PHE 348 31.585 1.727 9.132 92 HD2 PHE 348 HD2 PHE 348 33.048 -2.157 8.031 93 HE1 PHE 348 HE1 PHE 348 32.965 2.757 7.364 94 HE2 PHE 348 HE2 PHE 348 34.436 -1.126 6.255 95 HZ PHE 348 HZ PHE 348 34.397 1.330 5.919 96 HB2 PHE 348 HB2 PHE 348 31.809 -0.692 10.752 97 HB3 PHE 348 HB1 PHE 348 31.349 -1.983 9.642 98 H HIS 349 HN HIS 349 29.475 2.101 9.305 99 HA HIS 349 HA HIS 349 30.301 3.246 11.722 100 HD2 HIS 349 HD2 HIS 349 28.056 3.142 7.816 101 HE1 HIS 349 HE1 HIS 349 24.616 4.920 9.500 102 HE2 HIS 349 HE2 HIS 349 25.495 3.575 7.533 103 HB2 HIS 349 HB2 HIS 349 29.139 5.237 10.987 104 HB3 HIS 349 HB1 HIS 349 29.904 4.481 9.591 105 H LEU 350 HN LEU 350 27.052 2.290 10.638 106 HA LEU 350 HA LEU 350 25.404 3.068 12.601 107 HG LEU 350 HG LEU 350 26.802 0.123 11.187 108 HB2 LEU 350 HB2 LEU 350 24.397 0.633 12.384 109 HB3 LEU 350 HB1 LEU 350 24.332 1.754 11.027 110 HD11 LEU 350 HD11 LEU 350 25.668 -1.882 10.269 111 HD12 LEU 350 HD12 LEU 350 24.108 -1.122 10.576 112 HD13 LEU 350 HD13 LEU 350 25.165 -1.541 11.924 113 HD21 LEU 350 HD21 LEU 350 24.871 0.376 8.887 114 HD22 LEU 350 HD22 LEU 350 26.622 0.179 8.839 115 HD23 LEU 350 HD23 LEU 350 25.922 1.721 9.321 116 H SER 351 HN SER 351 27.444 0.145 12.843 117 HA SER 351 HA SER 351 26.677 -0.627 15.400 118 HG SER 351 HG SER 351 28.103 -1.890 16.404 119 HB2 SER 351 HB2 SER 351 28.045 -1.981 13.819 120 HB3 SER 351 HB1 SER 351 29.426 -0.954 14.194 121 H GLY 352 HN GLY 352 26.492 1.599 16.415 122 HA2 GLY 352 HA2 GLY 352 27.859 2.118 18.558 123 HA3 GLY 352 HA1 GLY 352 29.090 2.604 17.391 124 H ILE 353 HN ILE 353 27.350 3.624 15.450 125 HA ILE 353 HA ILE 353 26.672 6.192 16.674 126 HB ILE 353 HB ILE 353 27.119 5.216 13.866 127 HG12 ILE 353 HG12 ILE 353 28.372 7.679 14.933 128 HG13 ILE 353 HG11 ILE 353 28.827 6.196 15.769 129 HG21 ILE 353 HG21 ILE 353 26.713 7.777 13.385 130 HG22 ILE 353 HG22 ILE 353 25.713 7.685 14.834 131 HG23 ILE 353 HG23 ILE 353 25.347 6.665 13.444 132 HD11 ILE 353 HD11 ILE 353 29.421 5.169 13.587 133 HD12 ILE 353 HD12 ILE 353 30.372 6.617 13.917 134 HD13 ILE 353 HD13 ILE 353 29.022 6.691 12.787 135 H MET 354 HN MET 354 25.265 3.332 15.463 136 HA MET 354 HA MET 354 22.734 4.350 14.668 137 HB2 MET 354 HB2 MET 354 22.044 2.070 14.513 138 HB3 MET 354 HB1 MET 354 23.709 2.163 13.945 139 HG2 MET 354 HG2 MET 354 24.305 1.667 16.452 140 HG3 MET 354 HG1 MET 354 22.655 1.050 16.525 141 HE1 MET 354 HE1 MET 354 23.062 -1.513 16.897 142 HE2 MET 354 HE2 MET 354 24.596 -0.777 17.357 143 HE3 MET 354 HE3 MET 354 24.587 -2.230 16.361 144 H ALA 355 HN ALA 355 24.070 3.028 17.631 145 HA ALA 355 HA ALA 355 21.654 2.759 19.079 146 HB1 ALA 355 HB1 ALA 355 23.733 3.326 20.900 147 HB2 ALA 355 HB2 ALA 355 24.477 2.448 19.563 148 HB3 ALA 355 HB3 ALA 355 23.118 1.740 20.436 149 H LEU 356 HN LEU 356 23.503 5.459 18.130 150 HA LEU 356 HA LEU 356 21.975 7.177 19.984 151 HG LEU 356 HG LEU 356 24.869 6.717 18.010 152 HB2 LEU 356 HB2 LEU 356 23.857 8.804 19.831 153 HB3 LEU 356 HB1 LEU 356 24.299 7.291 20.619 154 HD11 LEU 356 HD11 LEU 356 26.096 8.651 17.102 155 HD12 LEU 356 HD12 LEU 356 25.592 9.624 18.483 156 HD13 LEU 356 HD13 LEU 356 24.393 9.050 17.324 157 HD21 LEU 356 HD21 LEU 356 26.605 7.960 20.158 158 HD22 LEU 356 HD22 LEU 356 27.250 7.214 18.697 159 HD23 LEU 356 HD23 LEU 356 26.350 6.241 19.860 160 H ILE 357 HN ILE 357 22.384 6.226 16.805 161 HA ILE 357 HA ILE 357 22.361 8.382 15.151 162 HB ILE 357 HB ILE 357 21.026 5.787 15.131 163 HG12 ILE 357 HG12 ILE 357 22.035 7.549 12.877 164 HG13 ILE 357 HG11 ILE 357 23.065 6.494 13.835 165 HG21 ILE 357 HG21 ILE 357 18.948 7.029 14.856 166 HG22 ILE 357 HG22 ILE 357 19.418 6.370 13.297 167 HG23 ILE 357 HG23 ILE 357 19.692 8.072 13.638 168 HD11 ILE 357 HD11 ILE 357 22.582 4.840 12.387 169 HD12 ILE 357 HD12 ILE 357 21.352 5.825 11.596 170 HD13 ILE 357 HD13 ILE 357 20.932 4.862 13.012 171 H ALA 358 HN ALA 358 19.700 7.363 17.231 172 HA ALA 358 HA ALA 358 18.129 9.725 16.507 173 HB1 ALA 358 HB1 ALA 358 17.308 7.238 16.986 174 HB2 ALA 358 HB2 ALA 358 16.309 8.635 17.390 175 HB3 ALA 358 HB3 ALA 358 17.259 7.838 18.644 176 H SER 359 HN SER 359 20.230 8.600 19.016 177 HA SER 359 HA SER 359 19.312 10.594 20.938 178 HG SER 359 HG SER 359 19.789 10.253 22.758 179 HB2 SER 359 HB2 SER 359 20.320 8.145 21.337 180 HB3 SER 359 HB1 SER 359 21.824 9.062 21.377 181 H GLY 360 HN GLY 360 21.132 10.721 18.226 182 HA2 GLY 360 HA2 GLY 360 22.674 13.019 19.244 183 HA3 GLY 360 HA1 GLY 360 23.487 11.784 18.288 184 H VAL 361 HN VAL 361 20.278 13.288 17.938 185 HA VAL 361 HA VAL 361 20.987 14.906 15.713 186 HB VAL 361 HB VAL 361 21.047 12.440 14.842 187 HG11 VAL 361 HG11 VAL 361 18.096 12.950 14.516 188 HG12 VAL 361 HG12 VAL 361 18.703 12.108 15.942 189 HG13 VAL 361 HG13 VAL 361 18.983 11.436 14.335 190 HG21 VAL 361 HG21 VAL 361 21.266 13.998 13.151 191 HG22 VAL 361 HG22 VAL 361 19.834 14.897 13.653 192 HG23 VAL 361 HG23 VAL 361 19.659 13.391 12.753 193 H VAL 362 HN VAL 362 19.169 14.303 18.236 194 HA VAL 362 HA VAL 362 16.489 14.617 17.517 195 HB VAL 362 HB VAL 362 17.956 15.651 19.954 196 HG11 VAL 362 HG11 VAL 362 15.149 15.830 19.069 197 HG12 VAL 362 HG12 VAL 362 16.003 16.765 20.295 198 HG13 VAL 362 HG13 VAL 362 15.355 15.174 20.692 199 HG21 VAL 362 HG21 VAL 362 16.996 13.599 20.993 200 HG22 VAL 362 HG22 VAL 362 18.099 13.220 19.670 201 HG23 VAL 362 HG23 VAL 362 16.356 13.128 19.419 202 H MET 363 HN MET 363 18.144 17.294 19.117 203 HA MET 363 HA MET 363 17.794 19.571 18.868 204 HB2 MET 363 HB2 MET 363 18.526 18.708 16.062 205 HB3 MET 363 HB1 MET 363 18.539 20.378 16.629 206 HG2 MET 363 HG2 MET 363 20.108 19.611 18.481 207 HG3 MET 363 HG1 MET 363 20.244 18.080 17.616 208 HE1 MET 363 HE1 MET 363 21.892 21.227 18.288 209 HE2 MET 363 HE2 MET 363 20.538 21.922 17.400 210 HE3 MET 363 HE3 MET 363 22.173 22.069 16.758 211 H ARG 364 HN ARG 364 16.968 19.735 15.633 212 HA ARG 364 HA ARG 364 14.161 19.295 15.736 213 HE ARG 364 HE ARG 364 10.301 21.438 16.404 214 HB2 ARG 364 HB2 ARG 364 14.602 21.400 17.226 215 HB3 ARG 364 HB1 ARG 364 14.810 22.223 15.679 216 HG2 ARG 364 HG2 ARG 364 12.532 22.483 15.916 217 HG3 ARG 364 HG1 ARG 364 12.547 20.911 15.116 218 HD2 ARG 364 HD2 ARG 364 12.502 19.807 17.341 219 HD3 ARG 364 HD1 ARG 364 12.408 21.391 18.105 220 HH11 ARG 364 HH21 ARG 364 11.454 19.142 18.721 221 HH12 ARG 364 HH22 ARG 364 9.880 18.525 19.100 222 HH21 ARG 364 HH11 ARG 364 8.234 20.635 16.894 223 HH22 ARG 364 HH12 ARG 364 8.057 19.371 18.066 224 HA PRO 365 HA PRO 365 16.408 20.120 11.640 225 HB2 PRO 365 HB2 PRO 365 16.072 17.558 10.670 226 HB3 PRO 365 HB1 PRO 365 17.522 18.117 11.525 227 HG2 PRO 365 HG2 PRO 365 15.208 16.549 12.548 228 HG3 PRO 365 HG1 PRO 365 16.935 16.379 12.907 229 HD2 PRO 365 HD2 PRO 365 15.219 17.582 14.621 230 HD3 PRO 365 HD1 PRO 365 16.914 18.096 14.471 231 H LYS 366 HN LYS 366 13.628 17.974 12.267 232 HA LYS 366 HA LYS 366 11.535 17.860 11.332 233 HB2 LYS 366 HB2 LYS 366 12.012 20.705 10.430 234 HB3 LYS 366 HB1 LYS 366 10.466 19.919 10.751 235 HG2 LYS 366 HG2 LYS 366 11.058 19.689 13.128 236 HG3 LYS 366 HG1 LYS 366 12.620 20.448 12.818 237 HD2 LYS 366 HD2 LYS 366 10.283 21.980 11.856 238 HD3 LYS 366 HD1 LYS 366 10.397 21.819 13.609 239 HE2 LYS 366 HE2 LYS 366 12.692 22.684 13.562 240 HE3 LYS 366 HE1 LYS 366 12.630 22.797 11.803 241 HZ1 LYS 366 HZ1 LYS 366 10.622 24.269 12.166 242 HZ2 LYS 366 HZ2 LYS 366 12.132 24.929 12.581 243 HZ3 LYS 366 HZ3 LYS 366 11.091 24.353 13.793 244 H LYS 367 HN LYS 367 13.420 16.686 9.800 245 HA LYS 367 HA LYS 367 13.925 17.500 7.232 246 HB2 LYS 367 HB2 LYS 367 13.251 14.763 8.311 247 HB3 LYS 367 HB1 LYS 367 13.724 15.022 6.631 248 HG2 LYS 367 HG2 LYS 367 15.827 16.070 7.373 249 HG3 LYS 367 HG1 LYS 367 15.357 15.828 9.057 250 HD2 LYS 367 HD2 LYS 367 15.117 13.324 8.400 251 HD3 LYS 367 HD1 LYS 367 16.091 13.758 6.994 252 HE2 LYS 367 HE2 LYS 367 16.852 14.070 9.911 253 HE3 LYS 367 HE1 LYS 367 17.602 13.003 8.722 254 HZ1 LYS 367 HZ1 LYS 367 17.753 15.429 7.543 255 HZ2 LYS 367 HZ2 LYS 367 19.011 14.682 8.406 256 HZ3 LYS 367 HZ3 LYS 367 18.004 15.814 9.175 257 H1 ACE 336 HA2 ACE 336 38.358 10.702 -8.156 258 H2 ACE 336 HA3 ACE 336 36.799 9.968 -8.529 259 H3 ACE 336 HA1 ACE 336 38.274 9.007 -8.634 260 HN1 NH2 368 HN1 NH2 368 12.501 18.323 5.712 261 HN2 NH2 368 HN2 NH2 368 10.924 17.753 5.446 Start of MODEL 13 1 HA LYS 337 HA LYS 337 36.498 8.153 -4.584 2 H1 LYS 337 HN LYS 337 35.683 9.846 -6.715 3 HB2 LYS 337 HB2 LYS 337 36.912 9.713 -2.834 4 HB3 LYS 337 HB1 LYS 337 37.938 10.195 -4.180 5 HG2 LYS 337 HG2 LYS 337 35.315 11.463 -3.335 6 HG3 LYS 337 HG1 LYS 337 36.915 12.191 -3.295 7 HD2 LYS 337 HD2 LYS 337 36.972 11.796 -5.840 8 HD3 LYS 337 HD1 LYS 337 35.232 11.526 -5.708 9 HE2 LYS 337 HE2 LYS 337 36.700 14.014 -4.788 10 HE3 LYS 337 HE1 LYS 337 35.725 13.883 -6.251 11 HZ1 LYS 337 HZ1 LYS 337 33.844 14.062 -5.095 12 HZ2 LYS 337 HZ2 LYS 337 34.809 14.631 -3.817 13 HZ3 LYS 337 HZ3 LYS 337 34.362 12.993 -3.885 14 H SER 338 HN SER 338 34.194 8.946 -6.386 15 HA SER 338 HA SER 338 32.150 9.353 -4.282 16 HG SER 338 HG SER 338 32.790 10.872 -7.727 17 HB2 SER 338 HB2 SER 338 30.706 10.131 -6.213 18 HB3 SER 338 HB1 SER 338 32.050 11.190 -5.796 19 H TYR 339 HN TYR 339 32.738 6.867 -4.199 20 HA TYR 339 HA TYR 339 30.474 5.452 -4.972 21 HD1 TYR 339 HD1 TYR 339 34.128 5.538 -5.405 22 HD2 TYR 339 HD2 TYR 339 32.059 6.013 -9.140 23 HE1 TYR 339 HE1 TYR 339 36.106 6.678 -6.351 24 HE2 TYR 339 HE2 TYR 339 34.045 7.155 -10.091 25 HH TYR 339 HH TYR 339 36.807 6.978 -9.320 26 HB2 TYR 339 HB2 TYR 339 31.848 3.945 -6.728 27 HB3 TYR 339 HB1 TYR 339 30.872 5.321 -7.209 28 H MET 340 HN MET 340 33.210 3.540 -5.709 29 HA MET 340 HA MET 340 32.896 1.881 -3.455 30 HB2 MET 340 HB2 MET 340 34.836 0.717 -4.234 31 HB3 MET 340 HB1 MET 340 33.970 1.269 -5.669 32 HG2 MET 340 HG2 MET 340 35.556 3.421 -5.230 33 HG3 MET 340 HG1 MET 340 36.592 2.146 -4.588 34 HE1 MET 340 HE1 MET 340 36.504 3.471 -8.700 35 HE2 MET 340 HE2 MET 340 36.701 4.212 -7.114 36 HE3 MET 340 HE3 MET 340 35.085 3.842 -7.711 37 H ALA 341 HN ALA 341 34.099 4.944 -3.593 38 HA ALA 341 HA ALA 341 36.174 4.577 -1.561 39 HB1 ALA 341 HB1 ALA 341 36.604 6.107 -3.439 40 HB2 ALA 341 HB2 ALA 341 36.595 6.970 -1.901 41 HB3 ALA 341 HB3 ALA 341 35.198 7.066 -2.974 42 H TYR 342 HN TYR 342 32.953 5.954 -1.961 43 HA TYR 342 HA TYR 342 32.968 6.915 0.800 44 HD1 TYR 342 HD1 TYR 342 29.323 7.206 1.043 45 HD2 TYR 342 HD2 TYR 342 30.676 6.712 -3.002 46 HE1 TYR 342 HE1 TYR 342 27.123 6.248 0.422 47 HE2 TYR 342 HE2 TYR 342 28.480 5.754 -3.624 48 HH TYR 342 HH TYR 342 26.406 4.497 -1.679 49 HB2 TYR 342 HB2 TYR 342 31.352 8.374 0.168 50 HB3 TYR 342 HB1 TYR 342 31.952 8.014 -1.453 51 H LEU 343 HN LEU 343 31.017 4.708 -1.255 52 HA LEU 343 HA LEU 343 29.327 3.886 0.855 53 HG LEU 343 HG LEU 343 31.313 2.499 -1.753 54 HB2 LEU 343 HB2 LEU 343 28.631 2.067 -0.588 55 HB3 LEU 343 HB1 LEU 343 28.782 3.538 -1.541 56 HD11 LEU 343 HD11 LEU 343 29.495 0.117 -2.084 57 HD12 LEU 343 HD12 LEU 343 30.292 0.425 -0.544 58 HD13 LEU 343 HD13 LEU 343 31.254 0.155 -1.994 59 HD21 LEU 343 HD21 LEU 343 29.855 3.356 -3.584 60 HD22 LEU 343 HD22 LEU 343 28.932 1.856 -3.526 61 HD23 LEU 343 HD23 LEU 343 30.623 1.830 -4.021 62 H SER 344 HN SER 344 32.583 3.239 0.222 63 HA SER 344 HA SER 344 32.603 0.688 1.654 64 HG SER 344 HG SER 344 35.225 -0.363 0.565 65 HB2 SER 344 HB2 SER 344 34.062 1.089 -0.356 66 HB3 SER 344 HB1 SER 344 34.946 2.282 0.592 67 H ALA 345 HN ALA 345 32.348 3.806 2.521 68 HA ALA 345 HA ALA 345 33.982 3.467 4.968 69 HB1 ALA 345 HB1 ALA 345 34.859 5.287 3.629 70 HB2 ALA 345 HB2 ALA 345 34.049 5.961 5.044 71 HB3 ALA 345 HB3 ALA 345 33.251 5.992 3.471 72 H GLU 346 HN GLU 346 30.962 3.105 3.983 73 HA GLU 346 HA GLU 346 29.854 4.025 6.543 74 HB2 GLU 346 HB2 GLU 346 27.825 4.873 5.343 75 HB3 GLU 346 HB1 GLU 346 29.281 5.818 5.026 76 HG2 GLU 346 HG2 GLU 346 29.216 5.328 2.831 77 HG3 GLU 346 HG1 GLU 346 29.047 3.605 3.162 78 H LEU 347 HN LEU 347 30.371 1.522 6.459 79 HA LEU 347 HA LEU 347 27.795 0.205 5.910 80 HG LEU 347 HG LEU 347 31.266 -0.221 5.956 81 HB2 LEU 347 HB2 LEU 347 29.024 -1.790 5.060 82 HB3 LEU 347 HB1 LEU 347 29.203 -0.378 4.018 83 HD11 LEU 347 HD11 LEU 347 30.908 -2.624 6.376 84 HD12 LEU 347 HD12 LEU 347 32.449 -2.356 5.561 85 HD13 LEU 347 HD13 LEU 347 31.061 -2.953 4.650 86 HD21 LEU 347 HD21 LEU 347 31.259 -1.005 3.024 87 HD22 LEU 347 HD22 LEU 347 32.700 -0.542 3.931 88 HD23 LEU 347 HD23 LEU 347 31.407 0.629 3.672 89 H PHE 348 HN PHE 348 29.972 1.069 8.137 90 HA PHE 348 HA PHE 348 29.250 -1.161 9.906 91 HD1 PHE 348 HD1 PHE 348 31.574 1.715 9.123 92 HD2 PHE 348 HD2 PHE 348 33.045 -2.155 7.988 93 HE1 PHE 348 HE1 PHE 348 32.952 2.765 7.366 94 HE2 PHE 348 HE2 PHE 348 34.433 -1.106 6.222 95 HZ PHE 348 HZ PHE 348 34.389 1.354 5.909 96 HB2 PHE 348 HB2 PHE 348 31.803 -0.720 10.719 97 HB3 PHE 348 HB1 PHE 348 31.342 -1.999 9.595 98 H HIS 349 HN HIS 349 29.468 2.090 9.310 99 HA HIS 349 HA HIS 349 30.297 3.202 11.740 100 HD2 HIS 349 HD2 HIS 349 28.040 3.144 7.843 101 HE1 HIS 349 HE1 HIS 349 24.614 4.930 9.543 102 HE2 HIS 349 HE2 HIS 349 25.483 3.595 7.566 103 HB2 HIS 349 HB2 HIS 349 29.139 5.204 11.034 104 HB3 HIS 349 HB1 HIS 349 29.898 4.465 9.625 105 H LEU 350 HN LEU 350 27.054 2.230 10.657 106 HA LEU 350 HA LEU 350 25.407 2.992 12.631 107 HG LEU 350 HG LEU 350 26.813 0.075 11.167 108 HB2 LEU 350 HB2 LEU 350 24.423 0.543 12.391 109 HB3 LEU 350 HB1 LEU 350 24.324 1.688 11.057 110 HD11 LEU 350 HD11 LEU 350 24.092 -1.143 10.649 111 HD12 LEU 350 HD12 LEU 350 25.295 -1.669 11.826 112 HD13 LEU 350 HD13 LEU 350 25.600 -1.873 10.101 113 HD21 LEU 350 HD21 LEU 350 24.888 0.356 8.867 114 HD22 LEU 350 HD22 LEU 350 26.645 0.211 8.827 115 HD23 LEU 350 HD23 LEU 350 25.898 1.721 9.341 116 H SER 351 HN SER 351 27.515 0.125 12.816 117 HA SER 351 HA SER 351 26.766 -0.703 15.374 118 HG SER 351 HG SER 351 30.319 -0.765 15.089 119 HB2 SER 351 HB2 SER 351 28.643 -2.122 15.313 120 HB3 SER 351 HB1 SER 351 28.199 -1.907 13.622 121 H GLY 352 HN GLY 352 26.582 1.550 16.356 122 HA2 GLY 352 HA2 GLY 352 27.988 2.051 18.503 123 HA3 GLY 352 HA1 GLY 352 29.168 2.591 17.307 124 H ILE 353 HN ILE 353 27.334 3.574 15.430 125 HA ILE 353 HA ILE 353 26.626 6.114 16.690 126 HB ILE 353 HB ILE 353 26.960 5.153 13.862 127 HG12 ILE 353 HG12 ILE 353 28.182 7.648 14.920 128 HG13 ILE 353 HG11 ILE 353 28.750 6.147 15.650 129 HG21 ILE 353 HG21 ILE 353 25.499 7.553 14.908 130 HG22 ILE 353 HG22 ILE 353 25.144 6.551 13.501 131 HG23 ILE 353 HG23 ILE 353 26.459 7.724 13.439 132 HD11 ILE 353 HD11 ILE 353 29.233 5.244 13.395 133 HD12 ILE 353 HD12 ILE 353 30.136 6.726 13.708 134 HD13 ILE 353 HD13 ILE 353 28.700 6.770 12.686 135 H MET 354 HN MET 354 25.251 3.241 15.390 136 HA MET 354 HA MET 354 22.666 4.192 14.758 137 HB2 MET 354 HB2 MET 354 22.052 1.912 14.508 138 HB3 MET 354 HB1 MET 354 23.715 2.060 13.948 139 HG2 MET 354 HG2 MET 354 24.305 1.485 16.447 140 HG3 MET 354 HG1 MET 354 22.677 0.813 16.468 141 HE1 MET 354 HE1 MET 354 23.681 -2.619 15.804 142 HE2 MET 354 HE2 MET 354 22.320 -1.542 16.105 143 HE3 MET 354 HE3 MET 354 23.757 -1.441 17.121 144 H ALA 355 HN ALA 355 24.119 2.843 17.660 145 HA ALA 355 HA ALA 355 21.718 2.441 19.124 146 HB1 ALA 355 HB1 ALA 355 24.559 2.171 19.548 147 HB2 ALA 355 HB2 ALA 355 23.229 1.379 20.396 148 HB3 ALA 355 HB3 ALA 355 23.809 2.953 20.941 149 H LEU 356 HN LEU 356 23.419 5.189 18.193 150 HA LEU 356 HA LEU 356 22.070 6.835 20.242 151 HG LEU 356 HG LEU 356 24.981 6.113 18.264 152 HB2 LEU 356 HB2 LEU 356 24.092 8.357 19.016 153 HB3 LEU 356 HB1 LEU 356 24.084 7.723 20.660 154 HD11 LEU 356 HD11 LEU 356 26.471 7.991 20.078 155 HD12 LEU 356 HD12 LEU 356 26.608 7.793 18.330 156 HD13 LEU 356 HD13 LEU 356 27.293 6.580 19.412 157 HD21 LEU 356 HD21 LEU 356 26.128 5.440 20.838 158 HD22 LEU 356 HD22 LEU 356 25.194 4.422 19.743 159 HD23 LEU 356 HD23 LEU 356 24.367 5.425 20.932 160 H ILE 357 HN ILE 357 22.431 6.091 16.900 161 HA ILE 357 HA ILE 357 21.968 8.280 15.414 162 HB ILE 357 HB ILE 357 20.887 5.546 15.310 163 HG12 ILE 357 HG12 ILE 357 21.835 7.474 13.165 164 HG13 ILE 357 HG11 ILE 357 22.896 6.415 14.087 165 HG21 ILE 357 HG21 ILE 357 18.732 6.625 15.038 166 HG22 ILE 357 HG22 ILE 357 19.280 6.127 13.446 167 HG23 ILE 357 HG23 ILE 357 19.415 7.814 13.923 168 HD11 ILE 357 HD11 ILE 357 21.235 5.795 11.781 169 HD12 ILE 357 HD12 ILE 357 20.883 4.719 13.133 170 HD13 ILE 357 HD13 ILE 357 22.528 4.844 12.511 171 H ALA 358 HN ALA 358 19.579 6.866 17.600 172 HA ALA 358 HA ALA 358 17.726 9.076 17.056 173 HB1 ALA 358 HB1 ALA 358 17.093 6.951 19.042 174 HB2 ALA 358 HB2 ALA 358 17.185 6.481 17.344 175 HB3 ALA 358 HB3 ALA 358 16.050 7.731 17.852 176 H SER 359 HN SER 359 19.906 7.891 19.510 177 HA SER 359 HA SER 359 18.844 9.681 21.551 178 HG SER 359 HG SER 359 22.056 8.061 22.962 179 HB2 SER 359 HB2 SER 359 19.885 8.315 23.001 180 HB3 SER 359 HB1 SER 359 20.205 7.264 21.624 181 H GLY 360 HN GLY 360 21.985 9.231 19.908 182 HA2 GLY 360 HA2 GLY 360 22.785 11.932 20.723 183 HA3 GLY 360 HA1 GLY 360 23.835 10.705 20.022 184 H VAL 361 HN VAL 361 21.148 12.884 19.271 185 HA VAL 361 HA VAL 361 22.339 13.628 16.774 186 HB VAL 361 HB VAL 361 21.033 11.321 16.544 187 HG11 VAL 361 HG11 VAL 361 18.840 13.307 15.910 188 HG12 VAL 361 HG12 VAL 361 18.936 12.501 17.478 189 HG13 VAL 361 HG13 VAL 361 18.733 11.551 16.009 190 HG21 VAL 361 HG21 VAL 361 20.909 13.665 14.619 191 HG22 VAL 361 HG22 VAL 361 20.542 12.000 14.170 192 HG23 VAL 361 HG23 VAL 361 22.167 12.431 14.704 193 H VAL 362 HN VAL 362 20.515 14.232 19.409 194 HA VAL 362 HA VAL 362 18.878 16.320 18.124 195 HB VAL 362 HB VAL 362 17.638 14.801 19.573 196 HG11 VAL 362 HG11 VAL 362 20.011 14.959 21.145 197 HG12 VAL 362 HG12 VAL 362 18.593 13.947 21.421 198 HG13 VAL 362 HG13 VAL 362 18.678 15.558 22.133 199 HG21 VAL 362 HG21 VAL 362 17.881 17.237 21.285 200 HG22 VAL 362 HG22 VAL 362 16.436 16.461 20.639 201 HG23 VAL 362 HG23 VAL 362 17.433 17.473 19.596 202 H MET 363 HN MET 363 18.973 18.463 18.833 203 HA MET 363 HA MET 363 20.468 19.464 20.967 204 HB2 MET 363 HB2 MET 363 22.380 20.427 19.448 205 HB3 MET 363 HB1 MET 363 22.525 18.799 20.114 206 HG2 MET 363 HG2 MET 363 22.195 17.785 18.079 207 HG3 MET 363 HG1 MET 363 21.123 19.059 17.499 208 HE1 MET 363 HE1 MET 363 24.489 18.028 18.590 209 HE2 MET 363 HE2 MET 363 24.867 19.684 19.056 210 HE3 MET 363 HE3 MET 363 25.673 18.963 17.666 211 H ARG 364 HN ARG 364 21.305 21.860 20.265 212 HA ARG 364 HA ARG 364 19.435 23.082 18.382 213 HE ARG 364 HE ARG 364 16.610 26.586 18.789 214 HB2 ARG 364 HB2 ARG 364 18.283 22.980 20.624 215 HB3 ARG 364 HB1 ARG 364 19.558 24.024 21.252 216 HG2 ARG 364 HG2 ARG 364 18.338 25.778 20.530 217 HG3 ARG 364 HG1 ARG 364 18.738 25.274 18.888 218 HD2 ARG 364 HD2 ARG 364 16.751 23.802 18.864 219 HD3 ARG 364 HD1 ARG 364 16.345 24.332 20.493 220 HH11 ARG 364 HH21 ARG 364 14.577 23.868 19.460 221 HH12 ARG 364 HH22 ARG 364 13.127 24.644 18.919 222 HH21 ARG 364 HH11 ARG 364 14.712 27.611 18.078 223 HH22 ARG 364 HH12 ARG 364 13.202 26.764 18.136 224 HA PRO 365 HA PRO 365 23.556 25.147 18.584 225 HB2 PRO 365 HB2 PRO 365 24.304 24.708 16.014 226 HB3 PRO 365 HB1 PRO 365 24.541 23.504 17.295 227 HG2 PRO 365 HG2 PRO 365 22.525 23.586 15.132 228 HG3 PRO 365 HG1 PRO 365 23.293 22.197 15.912 229 HD2 PRO 365 HD2 PRO 365 20.720 23.184 16.457 230 HD3 PRO 365 HD1 PRO 365 21.628 22.031 17.458 231 H LYS 366 HN LYS 366 21.281 25.218 15.836 232 HA LYS 366 HA LYS 366 20.383 26.954 14.631 233 HB2 LYS 366 HB2 LYS 366 21.218 28.772 16.888 234 HB3 LYS 366 HB1 LYS 366 19.851 28.952 15.789 235 HG2 LYS 366 HG2 LYS 366 18.937 26.786 16.749 236 HG3 LYS 366 HG1 LYS 366 20.190 26.898 17.986 237 HD2 LYS 366 HD2 LYS 366 18.044 28.967 17.427 238 HD3 LYS 366 HD1 LYS 366 18.110 27.889 18.822 239 HE2 LYS 366 HE2 LYS 366 19.082 29.801 19.715 240 HE3 LYS 366 HE1 LYS 366 20.512 28.949 19.133 241 HZ1 LYS 366 HZ1 LYS 366 19.379 31.420 18.241 242 HZ2 LYS 366 HZ2 LYS 366 19.637 30.336 16.959 243 HZ3 LYS 366 HZ3 LYS 366 20.927 30.782 17.971 244 H LYS 367 HN LYS 367 23.214 26.249 14.358 245 HA LYS 367 HA LYS 367 25.077 26.986 13.236 246 HB2 LYS 367 HB2 LYS 367 23.436 29.383 12.415 247 HB3 LYS 367 HB1 LYS 367 24.766 28.620 11.541 248 HG2 LYS 367 HG2 LYS 367 23.366 26.544 11.348 249 HG3 LYS 367 HG1 LYS 367 22.023 27.439 12.060 250 HD2 LYS 367 HD2 LYS 367 22.307 29.144 10.209 251 HD3 LYS 367 HD1 LYS 367 23.441 28.027 9.450 252 HE2 LYS 367 HE2 LYS 367 20.484 27.701 9.894 253 HE3 LYS 367 HE1 LYS 367 21.417 27.455 8.419 254 HZ1 LYS 367 HZ1 LYS 367 21.594 25.762 10.852 255 HZ2 LYS 367 HZ2 LYS 367 22.429 25.512 9.393 256 HZ3 LYS 367 HZ3 LYS 367 20.738 25.359 9.445 257 H1 ACE 336 HA2 ACE 336 38.259 8.939 -8.692 258 H2 ACE 336 HA3 ACE 336 38.364 10.637 -8.226 259 H3 ACE 336 HA1 ACE 336 36.794 9.916 -8.580 260 HN1 NH2 368 HN1 NH2 368 24.403 28.075 16.054 261 HN2 NH2 368 HN2 NH2 368 25.423 29.423 16.210 Start of MODEL 14 1 HA LYS 337 HA LYS 337 36.561 8.063 -4.655 2 H1 LYS 337 HN LYS 337 35.781 9.808 -6.770 3 HB2 LYS 337 HB2 LYS 337 36.997 9.607 -2.900 4 HB3 LYS 337 HB1 LYS 337 38.022 10.094 -4.246 5 HG2 LYS 337 HG2 LYS 337 35.413 11.372 -3.371 6 HG3 LYS 337 HG1 LYS 337 37.018 12.092 -3.351 7 HD2 LYS 337 HD2 LYS 337 37.042 11.717 -5.895 8 HD3 LYS 337 HD1 LYS 337 35.305 11.433 -5.748 9 HE2 LYS 337 HE2 LYS 337 36.840 13.954 -5.464 10 HE3 LYS 337 HE1 LYS 337 35.193 13.696 -6.036 11 HZ1 LYS 337 HZ1 LYS 337 36.141 13.733 -3.228 12 HZ2 LYS 337 HZ2 LYS 337 34.593 13.200 -3.682 13 HZ3 LYS 337 HZ3 LYS 337 35.059 14.808 -3.966 14 H SER 338 HN SER 338 34.277 8.902 -6.465 15 HA SER 338 HA SER 338 32.227 9.340 -4.375 16 HG SER 338 HG SER 338 30.445 10.108 -4.985 17 HB2 SER 338 HB2 SER 338 32.525 11.039 -6.301 18 HB3 SER 338 HB1 SER 338 31.787 9.800 -7.313 19 H TYR 339 HN TYR 339 32.797 6.843 -4.261 20 HA TYR 339 HA TYR 339 30.512 5.451 -5.020 21 HD1 TYR 339 HD1 TYR 339 34.178 5.446 -5.447 22 HD2 TYR 339 HD2 TYR 339 32.106 5.966 -9.174 23 HE1 TYR 339 HE1 TYR 339 36.171 6.558 -6.397 24 HE2 TYR 339 HE2 TYR 339 34.107 7.076 -10.128 25 HH TYR 339 HH TYR 339 36.087 8.250 -9.383 26 HB2 TYR 339 HB2 TYR 339 31.878 3.897 -6.744 27 HB3 TYR 339 HB1 TYR 339 30.916 5.275 -7.250 28 H MET 340 HN MET 340 33.223 3.485 -5.706 29 HA MET 340 HA MET 340 32.861 1.879 -3.418 30 HB2 MET 340 HB2 MET 340 34.922 0.748 -4.135 31 HB3 MET 340 HB1 MET 340 33.853 1.041 -5.507 32 HG2 MET 340 HG2 MET 340 35.902 1.774 -6.348 33 HG3 MET 340 HG1 MET 340 35.210 3.276 -5.736 34 HE1 MET 340 HE1 MET 340 38.590 4.259 -4.589 35 HE2 MET 340 HE2 MET 340 37.049 4.669 -5.336 36 HE3 MET 340 HE3 MET 340 38.144 3.557 -6.149 37 H ALA 341 HN ALA 341 34.116 4.908 -3.604 38 HA ALA 341 HA ALA 341 36.196 4.536 -1.575 39 HB1 ALA 341 HB1 ALA 341 36.657 6.917 -1.948 40 HB2 ALA 341 HB2 ALA 341 35.255 7.024 -3.016 41 HB3 ALA 341 HB3 ALA 341 36.643 6.037 -3.477 42 H TYR 342 HN TYR 342 33.008 5.981 -2.000 43 HA TYR 342 HA TYR 342 33.031 6.971 0.749 44 HD1 TYR 342 HD1 TYR 342 29.403 7.323 0.990 45 HD2 TYR 342 HD2 TYR 342 30.728 6.778 -3.058 46 HE1 TYR 342 HE1 TYR 342 27.183 6.401 0.386 47 HE2 TYR 342 HE2 TYR 342 28.510 5.856 -3.663 48 HH TYR 342 HH TYR 342 26.508 4.602 -1.937 49 HB2 TYR 342 HB2 TYR 342 31.449 8.455 0.091 50 HB3 TYR 342 HB1 TYR 342 32.039 8.055 -1.524 51 H LEU 343 HN LEU 343 31.044 4.777 -1.284 52 HA LEU 343 HA LEU 343 29.333 4.011 0.829 53 HG LEU 343 HG LEU 343 31.302 2.523 -1.748 54 HB2 LEU 343 HB2 LEU 343 28.592 2.202 -0.590 55 HB3 LEU 343 HB1 LEU 343 28.812 3.642 -1.577 56 HD11 LEU 343 HD11 LEU 343 31.219 0.185 -1.854 57 HD12 LEU 343 HD12 LEU 343 29.467 0.156 -2.034 58 HD13 LEU 343 HD13 LEU 343 30.185 0.513 -0.467 59 HD21 LEU 343 HD21 LEU 343 30.593 1.773 -3.988 60 HD22 LEU 343 HD22 LEU 343 29.871 3.337 -3.615 61 HD23 LEU 343 HD23 LEU 343 28.905 1.868 -3.494 62 H SER 344 HN SER 344 32.579 3.267 0.187 63 HA SER 344 HA SER 344 32.545 0.748 1.668 64 HG SER 344 HG SER 344 34.999 0.493 2.242 65 HB2 SER 344 HB2 SER 344 34.026 1.051 -0.322 66 HB3 SER 344 HB1 SER 344 34.900 2.299 0.562 67 H ALA 345 HN ALA 345 32.360 3.891 2.476 68 HA ALA 345 HA ALA 345 33.949 3.552 4.951 69 HB1 ALA 345 HB1 ALA 345 34.877 5.328 3.569 70 HB2 ALA 345 HB2 ALA 345 34.105 6.031 4.991 71 HB3 ALA 345 HB3 ALA 345 33.288 6.082 3.428 72 H GLU 346 HN GLU 346 30.975 3.116 4.025 73 HA GLU 346 HA GLU 346 29.843 4.136 6.523 74 HB2 GLU 346 HB2 GLU 346 27.856 5.041 5.305 75 HB3 GLU 346 HB1 GLU 346 29.342 5.936 4.981 76 HG2 GLU 346 HG2 GLU 346 29.254 5.436 2.790 77 HG3 GLU 346 HG1 GLU 346 29.052 3.719 3.134 78 H LEU 347 HN LEU 347 30.301 1.617 6.441 79 HA LEU 347 HA LEU 347 27.698 0.365 5.863 80 HG LEU 347 HG LEU 347 31.154 -0.151 5.980 81 HB2 LEU 347 HB2 LEU 347 28.891 -1.663 5.042 82 HB3 LEU 347 HB1 LEU 347 29.128 -0.259 3.999 83 HD11 LEU 347 HD11 LEU 347 30.958 -2.870 4.646 84 HD12 LEU 347 HD12 LEU 347 30.685 -2.563 6.360 85 HD13 LEU 347 HD13 LEU 347 32.284 -2.306 5.662 86 HD21 LEU 347 HD21 LEU 347 32.624 -0.475 3.996 87 HD22 LEU 347 HD22 LEU 347 31.335 0.686 3.680 88 HD23 LEU 347 HD23 LEU 347 31.214 -0.958 3.053 89 H PHE 348 HN PHE 348 29.886 1.171 8.116 90 HA PHE 348 HA PHE 348 29.088 -1.045 9.876 91 HD1 PHE 348 HD1 PHE 348 31.425 1.830 9.153 92 HD2 PHE 348 HD2 PHE 348 32.919 -2.038 8.035 93 HE1 PHE 348 HE1 PHE 348 32.830 2.882 7.420 94 HE2 PHE 348 HE2 PHE 348 34.334 -0.983 6.293 95 HZ PHE 348 HZ PHE 348 34.292 1.477 5.983 96 HB2 PHE 348 HB2 PHE 348 31.623 -0.607 10.746 97 HB3 PHE 348 HB1 PHE 348 31.186 -1.885 9.611 98 H HIS 349 HN HIS 349 29.282 2.203 9.293 99 HA HIS 349 HA HIS 349 30.063 3.277 11.777 100 HD2 HIS 349 HD2 HIS 349 27.982 3.310 7.796 101 HE1 HIS 349 HE1 HIS 349 24.607 5.353 9.300 102 HE2 HIS 349 HE2 HIS 349 25.477 3.929 7.386 103 HB2 HIS 349 HB2 HIS 349 29.043 5.328 11.038 104 HB3 HIS 349 HB1 HIS 349 29.835 4.570 9.659 105 H LEU 350 HN LEU 350 27.686 1.149 11.367 106 HA LEU 350 HA LEU 350 25.894 2.380 13.351 107 HG LEU 350 HG LEU 350 26.465 -0.037 10.755 108 HB2 LEU 350 HB2 LEU 350 24.462 0.282 12.417 109 HB3 LEU 350 HB1 LEU 350 24.371 1.898 11.722 110 HD11 LEU 350 HD11 LEU 350 24.485 -1.355 10.530 111 HD12 LEU 350 HD12 LEU 350 24.771 -0.641 8.944 112 HD13 LEU 350 HD13 LEU 350 23.536 0.036 10.006 113 HD21 LEU 350 HD21 LEU 350 26.689 1.449 9.026 114 HD22 LEU 350 HD22 LEU 350 25.972 2.573 10.180 115 HD23 LEU 350 HD23 LEU 350 24.960 1.791 8.966 116 H SER 351 HN SER 351 26.623 -0.943 12.301 117 HA SER 351 HA SER 351 26.100 -2.257 14.637 118 HG SER 351 HG SER 351 25.829 -2.988 12.195 119 HB2 SER 351 HB2 SER 351 28.163 -2.807 12.520 120 HB3 SER 351 HB1 SER 351 27.922 -3.897 13.882 121 H GLY 352 HN GLY 352 26.708 -0.885 16.412 122 HA2 GLY 352 HA2 GLY 352 28.460 -1.427 18.185 123 HA3 GLY 352 HA1 GLY 352 29.611 -0.831 16.988 124 H ILE 353 HN ILE 353 28.174 1.224 15.906 125 HA ILE 353 HA ILE 353 28.273 3.211 18.056 126 HB ILE 353 HB ILE 353 28.249 3.397 15.041 127 HG12 ILE 353 HG12 ILE 353 30.426 4.620 16.578 128 HG13 ILE 353 HG11 ILE 353 30.297 2.877 16.830 129 HG21 ILE 353 HG21 ILE 353 28.883 5.888 15.826 130 HG22 ILE 353 HG22 ILE 353 27.830 5.443 17.167 131 HG23 ILE 353 HG23 ILE 353 27.218 5.398 15.514 132 HD11 ILE 353 HD11 ILE 353 30.421 4.242 14.125 133 HD12 ILE 353 HD12 ILE 353 30.338 2.503 14.404 134 HD13 ILE 353 HD13 ILE 353 31.765 3.409 14.905 135 H MET 354 HN MET 354 26.119 1.409 16.177 136 HA MET 354 HA MET 354 23.941 3.212 15.990 137 HB2 MET 354 HB2 MET 354 22.632 1.228 15.373 138 HB3 MET 354 HB1 MET 354 24.146 1.319 14.477 139 HG2 MET 354 HG2 MET 354 24.271 -0.879 15.155 140 HG3 MET 354 HG1 MET 354 25.017 -0.121 16.561 141 HE1 MET 354 HE1 MET 354 22.539 -2.515 15.327 142 HE2 MET 354 HE2 MET 354 22.040 -3.127 16.901 143 HE3 MET 354 HE3 MET 354 23.754 -2.985 16.524 144 H ALA 355 HN ALA 355 24.810 0.607 18.195 145 HA ALA 355 HA ALA 355 22.463 0.569 19.744 146 HB1 ALA 355 HB1 ALA 355 25.097 -0.621 19.818 147 HB2 ALA 355 HB2 ALA 355 23.586 -1.220 20.501 148 HB3 ALA 355 HB3 ALA 355 24.599 -0.118 21.432 149 H LEU 356 HN LEU 356 24.978 2.835 19.492 150 HA LEU 356 HA LEU 356 24.034 4.182 21.942 151 HG LEU 356 HG LEU 356 26.674 3.658 19.668 152 HB2 LEU 356 HB2 LEU 356 26.318 5.129 22.190 153 HB3 LEU 356 HB1 LEU 356 26.277 3.377 22.373 154 HD11 LEU 356 HD11 LEU 356 26.991 6.099 19.930 155 HD12 LEU 356 HD12 LEU 356 28.483 5.312 19.414 156 HD13 LEU 356 HD13 LEU 356 28.279 5.799 21.096 157 HD21 LEU 356 HD21 LEU 356 28.650 3.385 21.947 158 HD22 LEU 356 HD22 LEU 356 29.081 3.118 20.258 159 HD23 LEU 356 HD23 LEU 356 27.882 2.085 21.036 160 H ILE 357 HN ILE 357 24.150 4.274 18.617 161 HA ILE 357 HA ILE 357 24.841 6.748 17.729 162 HB ILE 357 HB ILE 357 22.751 4.843 17.030 163 HG12 ILE 357 HG12 ILE 357 24.217 6.897 15.347 164 HG13 ILE 357 HG11 ILE 357 24.896 5.338 15.795 165 HG21 ILE 357 HG21 ILE 357 21.374 6.441 15.688 166 HG22 ILE 357 HG22 ILE 357 22.173 7.778 16.501 167 HG23 ILE 357 HG23 ILE 357 21.164 6.653 17.420 168 HD11 ILE 357 HD11 ILE 357 22.324 4.789 14.758 169 HD12 ILE 357 HD12 ILE 357 23.879 4.438 14.002 170 HD13 ILE 357 HD13 ILE 357 23.057 5.960 13.662 171 H ALA 358 HN ALA 358 22.056 5.962 19.725 172 HA ALA 358 HA ALA 358 21.291 8.789 19.907 173 HB1 ALA 358 HB1 ALA 358 19.233 8.065 20.635 174 HB2 ALA 358 HB2 ALA 358 19.901 6.656 21.459 175 HB3 ALA 358 HB3 ALA 358 19.727 6.651 19.703 176 H SER 359 HN SER 359 22.895 6.317 21.742 177 HA SER 359 HA SER 359 22.730 7.835 24.232 178 HG SER 359 HG SER 359 24.859 4.584 23.617 179 HB2 SER 359 HB2 SER 359 23.238 5.888 25.262 180 HB3 SER 359 HB1 SER 359 22.848 5.154 23.709 181 H GLY 360 HN GLY 360 24.489 8.170 21.524 182 HA2 GLY 360 HA2 GLY 360 26.826 9.209 23.007 183 HA3 GLY 360 HA1 GLY 360 27.040 8.262 21.538 184 H VAL 361 HN VAL 361 24.596 10.734 22.246 185 HA VAL 361 HA VAL 361 25.862 12.791 20.746 186 HB VAL 361 HB VAL 361 25.187 11.158 18.933 187 HG11 VAL 361 HG11 VAL 361 22.388 12.132 19.542 188 HG12 VAL 361 HG12 VAL 361 23.000 10.584 20.127 189 HG13 VAL 361 HG13 VAL 361 22.878 10.887 18.394 190 HG21 VAL 361 HG21 VAL 361 25.577 13.518 18.432 191 HG22 VAL 361 HG22 VAL 361 23.947 13.928 18.965 192 HG23 VAL 361 HG23 VAL 361 24.181 12.954 17.514 193 H VAL 362 HN VAL 362 22.740 11.427 21.755 194 HA VAL 362 HA VAL 362 20.825 12.469 22.534 195 HB VAL 362 HB VAL 362 22.968 13.905 24.120 196 HG11 VAL 362 HG11 VAL 362 20.021 13.882 24.212 197 HG12 VAL 362 HG12 VAL 362 21.158 15.032 24.912 198 HG13 VAL 362 HG13 VAL 362 20.792 13.530 25.758 199 HG21 VAL 362 HG21 VAL 362 23.043 11.373 24.102 200 HG22 VAL 362 HG22 VAL 362 21.426 11.387 24.805 201 HG23 VAL 362 HG23 VAL 362 22.780 12.087 25.693 202 H MET 363 HN MET 363 22.269 13.810 20.219 203 HA MET 363 HA MET 363 22.232 15.809 19.058 204 HB2 MET 363 HB2 MET 363 19.576 16.449 20.226 205 HB3 MET 363 HB1 MET 363 20.082 16.385 18.536 206 HG2 MET 363 HG2 MET 363 20.279 13.835 18.886 207 HG3 MET 363 HG1 MET 363 19.341 14.094 20.357 208 HE1 MET 363 HE1 MET 363 19.346 13.781 16.529 209 HE2 MET 363 HE2 MET 363 17.710 13.132 16.477 210 HE3 MET 363 HE3 MET 363 18.887 12.441 17.590 211 H ARG 364 HN ARG 364 20.605 18.135 19.854 212 HA ARG 364 HA ARG 364 21.968 19.054 22.285 213 HE ARG 364 HE ARG 364 24.331 21.812 23.752 214 HB2 ARG 364 HB2 ARG 364 23.265 19.635 20.110 215 HB3 ARG 364 HB1 ARG 364 21.975 20.806 19.841 216 HG2 ARG 364 HG2 ARG 364 23.314 22.162 21.101 217 HG3 ARG 364 HG1 ARG 364 22.546 21.319 22.445 218 HD2 ARG 364 HD2 ARG 364 24.449 19.572 22.134 219 HD3 ARG 364 HD1 ARG 364 25.261 20.847 21.231 220 HH11 ARG 364 HH21 ARG 364 26.752 19.881 22.210 221 HH12 ARG 364 HH22 ARG 364 27.949 20.159 23.430 222 HH21 ARG 364 HH11 ARG 364 25.896 22.182 25.357 223 HH22 ARG 364 HH12 ARG 364 27.464 21.462 25.212 224 HA PRO 365 HA PRO 365 17.612 20.546 21.954 225 HB2 PRO 365 HB2 PRO 365 16.626 19.318 24.153 226 HB3 PRO 365 HB1 PRO 365 16.782 18.481 22.596 227 HG2 PRO 365 HG2 PRO 365 18.476 18.288 25.023 228 HG3 PRO 365 HG1 PRO 365 18.038 17.040 23.848 229 HD2 PRO 365 HD2 PRO 365 20.464 18.431 23.920 230 HD3 PRO 365 HD1 PRO 365 19.851 17.498 22.538 231 H LYS 366 HN LYS 366 19.764 20.282 24.745 232 HA LYS 366 HA LYS 366 20.224 21.700 26.489 233 HB2 LYS 366 HB2 LYS 366 19.080 23.820 24.656 234 HB3 LYS 366 HB1 LYS 366 20.163 24.080 26.023 235 HG2 LYS 366 HG2 LYS 366 21.951 23.705 24.714 236 HG3 LYS 366 HG1 LYS 366 21.326 22.113 24.285 237 HD2 LYS 366 HD2 LYS 366 21.616 23.463 22.260 238 HD3 LYS 366 HD1 LYS 366 19.900 23.170 22.544 239 HE2 LYS 366 HE2 LYS 366 19.506 25.380 22.670 240 HE3 LYS 366 HE1 LYS 366 20.702 25.546 23.956 241 HZ1 LYS 366 HZ1 LYS 366 21.105 26.825 21.818 242 HZ2 LYS 366 HZ2 LYS 366 21.494 25.327 21.117 243 HZ3 LYS 366 HZ3 LYS 366 22.401 25.916 22.426 244 H LYS 367 HN LYS 367 17.460 20.503 26.091 245 HA LYS 367 HA LYS 367 15.378 20.594 27.071 246 HB2 LYS 367 HB2 LYS 367 16.912 22.097 29.206 247 HB3 LYS 367 HB1 LYS 367 15.375 21.256 29.416 248 HG2 LYS 367 HG2 LYS 367 16.859 19.257 28.342 249 HG3 LYS 367 HG1 LYS 367 18.119 20.152 29.193 250 HD2 LYS 367 HD2 LYS 367 16.723 20.086 31.259 251 HD3 LYS 367 HD1 LYS 367 15.544 19.095 30.398 252 HE2 LYS 367 HE2 LYS 367 18.437 18.382 30.955 253 HE3 LYS 367 HE1 LYS 367 17.011 17.630 31.671 254 HZ1 LYS 367 HZ1 LYS 367 17.930 16.333 29.827 255 HZ2 LYS 367 HZ2 LYS 367 17.659 17.637 28.773 256 HZ3 LYS 367 HZ3 LYS 367 16.346 16.848 29.509 257 H1 ACE 336 HA2 ACE 336 36.880 9.797 -8.656 258 H2 ACE 336 HA3 ACE 336 38.340 8.813 -8.766 259 H3 ACE 336 HA1 ACE 336 38.452 10.506 -8.287 260 HN1 NH2 368 HN1 NH2 368 15.811 22.738 25.173 261 HN2 NH2 368 HN2 NH2 368 14.918 24.077 25.709 Start of MODEL 15 1 HA LYS 337 HA LYS 337 36.514 8.064 -4.574 2 H1 LYS 337 HN LYS 337 35.813 10.094 -6.512 3 HB2 LYS 337 HB2 LYS 337 37.050 9.419 -2.751 4 HB3 LYS 337 HB1 LYS 337 37.920 10.177 -4.076 5 HG2 LYS 337 HG2 LYS 337 35.280 11.098 -2.879 6 HG3 LYS 337 HG1 LYS 337 36.832 11.902 -2.752 7 HD2 LYS 337 HD2 LYS 337 35.318 11.459 -5.343 8 HD3 LYS 337 HD1 LYS 337 35.389 12.970 -4.449 9 HE2 LYS 337 HE2 LYS 337 38.045 12.428 -4.667 10 HE3 LYS 337 HE1 LYS 337 37.448 11.704 -6.158 11 HZ1 LYS 337 HZ1 LYS 337 36.949 14.484 -5.249 12 HZ2 LYS 337 HZ2 LYS 337 36.323 13.789 -6.666 13 HZ3 LYS 337 HZ3 LYS 337 37.998 14.016 -6.497 14 H SER 338 HN SER 338 34.259 9.228 -6.357 15 HA SER 338 HA SER 338 32.181 9.467 -4.277 16 HG SER 338 HG SER 338 30.169 11.336 -6.291 17 HB2 SER 338 HB2 SER 338 32.357 11.272 -5.990 18 HB3 SER 338 HB1 SER 338 31.972 10.080 -7.228 19 H TYR 339 HN TYR 339 32.747 6.964 -4.203 20 HA TYR 339 HA TYR 339 30.471 5.594 -5.014 21 HD1 TYR 339 HD1 TYR 339 34.140 5.531 -5.403 22 HD2 TYR 339 HD2 TYR 339 32.158 6.164 -9.161 23 HE1 TYR 339 HE1 TYR 339 36.195 6.538 -6.308 24 HE2 TYR 339 HE2 TYR 339 34.230 7.175 -10.074 25 HH TYR 339 HH TYR 339 37.163 7.482 -8.063 26 HB2 TYR 339 HB2 TYR 339 31.771 4.095 -6.794 27 HB3 TYR 339 HB1 TYR 339 30.897 5.544 -7.252 28 H MET 340 HN MET 340 33.107 3.609 -5.789 29 HA MET 340 HA MET 340 32.784 1.904 -3.588 30 HB2 MET 340 HB2 MET 340 34.957 0.911 -4.348 31 HB3 MET 340 HB1 MET 340 33.762 1.081 -5.632 32 HG2 MET 340 HG2 MET 340 35.754 1.908 -6.600 33 HG3 MET 340 HG1 MET 340 34.890 3.363 -6.112 34 HE1 MET 340 HE1 MET 340 37.727 5.066 -5.320 35 HE2 MET 340 HE2 MET 340 36.908 4.309 -6.681 36 HE3 MET 340 HE3 MET 340 38.499 3.735 -6.190 37 H ALA 341 HN ALA 341 34.115 4.938 -3.638 38 HA ALA 341 HA ALA 341 36.152 4.405 -1.604 39 HB1 ALA 341 HB1 ALA 341 36.763 6.732 -1.895 40 HB2 ALA 341 HB2 ALA 341 35.317 7.021 -2.861 41 HB3 ALA 341 HB3 ALA 341 36.597 5.982 -3.483 42 H TYR 342 HN TYR 342 32.982 5.896 -1.960 43 HA TYR 342 HA TYR 342 33.050 6.823 0.811 44 HD1 TYR 342 HD2 TYR 342 29.377 7.225 1.055 45 HD2 TYR 342 HD1 TYR 342 30.781 6.663 -2.963 46 HE1 TYR 342 HE2 TYR 342 27.174 6.285 0.416 47 HE2 TYR 342 HE1 TYR 342 28.580 5.722 -3.604 48 HH TYR 342 HH TYR 342 25.851 5.755 -1.373 49 HB2 TYR 342 HB2 TYR 342 31.446 8.321 0.223 50 HB3 TYR 342 HB1 TYR 342 32.042 7.986 -1.406 51 H LEU 343 HN LEU 343 31.029 4.681 -1.247 52 HA LEU 343 HA LEU 343 29.323 3.898 0.862 53 HG LEU 343 HG LEU 343 31.261 2.236 -1.635 54 HB2 LEU 343 HB2 LEU 343 28.495 2.195 -0.581 55 HB3 LEU 343 HB1 LEU 343 28.877 3.574 -1.606 56 HD11 LEU 343 HD11 LEU 343 29.202 0.050 -1.894 57 HD12 LEU 343 HD12 LEU 343 29.947 0.383 -0.333 58 HD13 LEU 343 HD13 LEU 343 30.947 -0.097 -1.702 59 HD21 LEU 343 HD21 LEU 343 28.858 1.806 -3.440 60 HD22 LEU 343 HD22 LEU 343 30.526 1.443 -3.876 61 HD23 LEU 343 HD23 LEU 343 30.033 3.110 -3.586 62 H SER 344 HN SER 344 32.565 3.204 0.279 63 HA SER 344 HA SER 344 32.526 0.651 1.715 64 HG SER 344 HG SER 344 34.560 -0.064 2.079 65 HB2 SER 344 HB2 SER 344 34.025 0.962 -0.257 66 HB3 SER 344 HB1 SER 344 34.879 2.221 0.629 67 H ALA 345 HN ALA 345 32.315 3.788 2.535 68 HA ALA 345 HA ALA 345 33.863 3.440 5.035 69 HB1 ALA 345 HB1 ALA 345 33.278 5.973 3.488 70 HB2 ALA 345 HB2 ALA 345 34.852 5.198 3.677 71 HB3 ALA 345 HB3 ALA 345 34.050 5.920 5.073 72 H GLU 346 HN GLU 346 30.975 2.861 4.216 73 HA GLU 346 HA GLU 346 29.775 4.053 6.597 74 HB2 GLU 346 HB2 GLU 346 27.733 4.695 5.228 75 HB3 GLU 346 HB1 GLU 346 29.152 5.720 5.010 76 HG2 GLU 346 HG2 GLU 346 29.321 5.165 2.835 77 HG3 GLU 346 HG1 GLU 346 29.195 3.446 3.199 78 H LEU 347 HN LEU 347 30.496 1.447 6.310 79 HA LEU 347 HA LEU 347 27.899 0.075 5.956 80 HG LEU 347 HG LEU 347 31.368 -0.356 6.208 81 HB2 LEU 347 HB2 LEU 347 29.146 -1.919 5.225 82 HB3 LEU 347 HB1 LEU 347 29.441 -0.550 4.150 83 HD11 LEU 347 HD11 LEU 347 32.504 -2.552 6.017 84 HD12 LEU 347 HD12 LEU 347 31.146 -3.162 5.071 85 HD13 LEU 347 HD13 LEU 347 30.912 -2.711 6.760 86 HD21 LEU 347 HD21 LEU 347 31.513 -1.306 3.330 87 HD22 LEU 347 HD22 LEU 347 32.923 -0.884 4.302 88 HD23 LEU 347 HD23 LEU 347 31.722 0.347 3.908 89 H PHE 348 HN PHE 348 30.098 1.101 8.134 90 HA PHE 348 HA PHE 348 29.344 -1.005 10.051 91 HD1 PHE 348 HD1 PHE 348 31.690 1.942 9.251 92 HD2 PHE 348 HD2 PHE 348 33.114 -1.985 8.255 93 HE1 PHE 348 HE1 PHE 348 33.075 2.908 7.446 94 HE2 PHE 348 HE2 PHE 348 34.507 -1.018 6.446 95 HZ PHE 348 HZ PHE 348 34.489 1.427 6.040 96 HB2 PHE 348 HB2 PHE 348 31.836 -0.344 10.934 97 HB3 PHE 348 HB1 PHE 348 31.489 -1.746 9.921 98 H HIS 349 HN HIS 349 29.559 2.220 9.206 99 HA HIS 349 HA HIS 349 30.122 3.529 11.609 100 HD2 HIS 349 HD2 HIS 349 28.078 2.369 8.234 101 HE1 HIS 349 HE1 HIS 349 25.168 5.385 7.737 102 HE2 HIS 349 HE2 HIS 349 25.866 3.048 7.030 103 HB2 HIS 349 HB2 HIS 349 28.919 5.443 10.650 104 HB3 HIS 349 HB1 HIS 349 29.978 4.696 9.457 105 H LEU 350 HN LEU 350 27.514 1.516 10.834 106 HA LEU 350 HA LEU 350 25.988 2.524 13.165 107 HG LEU 350 HG LEU 350 25.704 3.592 10.325 108 HB2 LEU 350 HB2 LEU 350 24.850 1.283 10.651 109 HB3 LEU 350 HB1 LEU 350 23.925 1.838 12.043 110 HD11 LEU 350 HD11 LEU 350 23.878 3.201 8.938 111 HD12 LEU 350 HD12 LEU 350 23.299 4.588 9.862 112 HD13 LEU 350 HD13 LEU 350 22.772 2.961 10.291 113 HD21 LEU 350 HD21 LEU 350 25.639 4.801 12.277 114 HD22 LEU 350 HD22 LEU 350 24.184 3.992 12.855 115 HD23 LEU 350 HD23 LEU 350 24.060 5.278 11.656 116 H SER 351 HN SER 351 28.011 0.618 13.403 117 HA SER 351 HA SER 351 27.476 -2.041 13.133 118 HG SER 351 HG SER 351 29.356 -2.532 16.228 119 HB2 SER 351 HB2 SER 351 29.531 -1.478 14.144 120 HB3 SER 351 HB1 SER 351 28.750 -0.526 15.403 121 H GLY 352 HN GLY 352 25.355 -2.671 13.263 122 HA2 GLY 352 HA2 GLY 352 24.190 -3.816 15.329 123 HA3 GLY 352 HA1 GLY 352 23.845 -2.131 15.717 124 H ILE 353 HN ILE 353 23.437 -1.103 13.185 125 HA ILE 353 HA ILE 353 20.846 -2.301 12.507 126 HB ILE 353 HB ILE 353 22.108 0.370 11.875 127 HG12 ILE 353 HG12 ILE 353 19.478 0.291 13.141 128 HG13 ILE 353 HG11 ILE 353 20.692 -0.562 14.094 129 HG21 ILE 353 HG21 ILE 353 19.811 -1.066 10.663 130 HG22 ILE 353 HG22 ILE 353 20.824 0.209 9.987 131 HG23 ILE 353 HG23 ILE 353 19.519 0.618 11.100 132 HD11 ILE 353 HD11 ILE 353 20.604 1.835 14.698 133 HD12 ILE 353 HD12 ILE 353 20.972 2.263 13.027 134 HD13 ILE 353 HD13 ILE 353 22.167 1.407 14.000 135 H MET 354 HN MET 354 23.864 -1.228 11.030 136 HA MET 354 HA MET 354 23.269 -1.957 8.367 137 HB2 MET 354 HB2 MET 354 25.642 -1.670 7.953 138 HB3 MET 354 HB1 MET 354 25.076 -0.385 9.020 139 HG2 MET 354 HG2 MET 354 26.973 -1.057 10.169 140 HG3 MET 354 HG1 MET 354 25.770 -2.110 10.914 141 HE1 MET 354 HE1 MET 354 28.578 -4.636 10.848 142 HE2 MET 354 HE2 MET 354 27.236 -3.910 11.729 143 HE3 MET 354 HE3 MET 354 28.625 -2.922 11.283 144 H ALA 355 HN ALA 355 24.310 -3.752 11.124 145 HA ALA 355 HA ALA 355 25.357 -5.991 9.636 146 HB1 ALA 355 HB1 ALA 355 24.794 -6.866 12.218 147 HB2 ALA 355 HB2 ALA 355 25.179 -5.153 12.416 148 HB3 ALA 355 HB3 ALA 355 26.338 -6.236 11.641 149 H LEU 356 HN LEU 356 22.281 -4.840 10.342 150 HA LEU 356 HA LEU 356 21.097 -7.516 9.877 151 HG LEU 356 HG LEU 356 21.133 -4.514 11.867 152 HB2 LEU 356 HB2 LEU 356 19.152 -5.833 11.049 153 HB3 LEU 356 HB1 LEU 356 19.888 -7.270 11.751 154 HD11 LEU 356 HD11 LEU 356 19.581 -4.040 13.436 155 HD12 LEU 356 HD12 LEU 356 20.311 -5.301 14.430 156 HD13 LEU 356 HD13 LEU 356 18.945 -5.684 13.383 157 HD21 LEU 356 HD21 LEU 356 22.108 -7.135 12.423 158 HD22 LEU 356 HD22 LEU 356 21.877 -6.326 13.972 159 HD23 LEU 356 HD23 LEU 356 22.905 -5.596 12.742 160 H ILE 357 HN ILE 357 21.422 -4.254 8.941 161 HA ILE 357 HA ILE 357 19.217 -3.387 7.726 162 HB ILE 357 HB ILE 357 22.066 -3.345 6.962 163 HG12 ILE 357 HG12 ILE 357 20.969 -1.593 8.340 164 HG13 ILE 357 HG11 ILE 357 21.665 -0.934 6.868 165 HG21 ILE 357 HG21 ILE 357 21.530 -2.152 4.790 166 HG22 ILE 357 HG22 ILE 357 19.908 -2.827 4.905 167 HG23 ILE 357 HG23 ILE 357 21.306 -3.899 4.765 168 HD11 ILE 357 HD11 ILE 357 18.923 -0.884 7.772 169 HD12 ILE 357 HD12 ILE 357 19.016 -1.667 6.199 170 HD13 ILE 357 HD13 ILE 357 19.653 -0.039 6.411 171 H ALA 358 HN ALA 358 21.285 -5.921 6.338 172 HA ALA 358 HA ALA 358 19.300 -6.459 4.261 173 HB1 ALA 358 HB1 ALA 358 21.864 -6.441 3.939 174 HB2 ALA 358 HB2 ALA 358 20.946 -7.759 3.208 175 HB3 ALA 358 HB3 ALA 358 21.827 -8.026 4.713 176 H SER 359 HN SER 359 20.270 -7.659 7.345 177 HA SER 359 HA SER 359 19.024 -10.266 6.945 178 HG SER 359 HG SER 359 19.667 -11.619 8.069 179 HB2 SER 359 HB2 SER 359 21.100 -9.459 8.515 180 HB3 SER 359 HB1 SER 359 19.776 -9.446 9.677 181 H GLY 360 HN GLY 360 17.879 -7.246 7.453 182 HA2 GLY 360 HA2 GLY 360 15.468 -8.276 8.801 183 HA3 GLY 360 HA1 GLY 360 16.229 -6.805 9.402 184 H VAL 361 HN VAL 361 15.679 -7.956 6.077 185 HA VAL 361 HA VAL 361 13.547 -6.156 5.526 186 HB VAL 361 HB VAL 361 15.701 -4.682 5.724 187 HG11 VAL 361 HG11 VAL 361 17.136 -4.639 3.862 188 HG12 VAL 361 HG12 VAL 361 15.995 -5.518 2.845 189 HG13 VAL 361 HG13 VAL 361 16.876 -6.364 4.116 190 HG21 VAL 361 HG21 VAL 361 13.517 -4.676 3.688 191 HG22 VAL 361 HG22 VAL 361 14.827 -3.515 3.474 192 HG23 VAL 361 HG23 VAL 361 13.871 -3.503 4.957 193 H VAL 362 HN VAL 362 15.196 -8.845 4.974 194 HA VAL 362 HA VAL 362 14.241 -9.074 2.189 195 HB VAL 362 HB VAL 362 16.838 -8.934 2.673 196 HG11 VAL 362 HG11 VAL 362 16.403 -11.911 2.903 197 HG12 VAL 362 HG12 VAL 362 16.551 -10.893 4.338 198 HG13 VAL 362 HG13 VAL 362 17.880 -10.990 3.185 199 HG21 VAL 362 HG21 VAL 362 15.441 -10.901 0.840 200 HG22 VAL 362 HG22 VAL 362 17.156 -10.511 0.714 201 HG23 VAL 362 HG23 VAL 362 15.944 -9.255 0.455 202 H MET 363 HN MET 363 13.942 -10.082 5.284 203 HA MET 363 HA MET 363 13.187 -12.839 4.556 204 HB2 MET 363 HB2 MET 363 14.128 -11.518 7.048 205 HB3 MET 363 HB1 MET 363 13.043 -12.900 7.196 206 HG2 MET 363 HG2 MET 363 14.556 -14.276 5.856 207 HG3 MET 363 HG1 MET 363 15.612 -12.890 5.582 208 HE1 MET 363 HE1 MET 363 16.813 -11.613 7.283 209 HE2 MET 363 HE2 MET 363 17.832 -12.964 6.791 210 HE3 MET 363 HE3 MET 363 17.758 -12.498 8.488 211 H ARG 364 HN ARG 364 11.708 -10.107 4.371 212 HA ARG 364 HA ARG 364 9.269 -11.024 5.759 213 HE ARG 364 HE ARG 364 7.025 -7.723 7.683 214 HB2 ARG 364 HB2 ARG 364 10.475 -8.312 5.418 215 HB3 ARG 364 HB1 ARG 364 8.722 -8.459 5.560 216 HG2 ARG 364 HG2 ARG 364 10.424 -9.953 7.512 217 HG3 ARG 364 HG1 ARG 364 10.250 -8.210 7.721 218 HD2 ARG 364 HD2 ARG 364 7.794 -9.848 7.218 219 HD3 ARG 364 HD1 ARG 364 8.513 -9.876 8.826 220 HH11 ARG 364 HH21 ARG 364 9.720 -8.505 9.707 221 HH12 ARG 364 HH22 ARG 364 9.630 -7.042 10.629 222 HH21 ARG 364 HH11 ARG 364 6.900 -5.801 8.888 223 HH22 ARG 364 HH12 ARG 364 8.033 -5.511 10.165 224 HA PRO 365 HA PRO 365 8.732 -10.718 1.038 225 HB2 PRO 365 HB2 PRO 365 7.809 -13.307 0.752 226 HB3 PRO 365 HB1 PRO 365 9.503 -12.822 0.538 227 HG2 PRO 365 HG2 PRO 365 8.173 -14.055 2.904 228 HG3 PRO 365 HG1 PRO 365 9.767 -14.391 2.201 229 HD2 PRO 365 HD2 PRO 365 9.502 -12.886 4.420 230 HD3 PRO 365 HD1 PRO 365 10.751 -12.534 3.204 231 H LYS 366 HN LYS 366 6.809 -12.379 3.520 232 HA LYS 366 HA LYS 366 4.548 -12.444 3.932 233 HB2 LYS 366 HB2 LYS 366 4.714 -9.671 2.727 234 HB3 LYS 366 HB1 LYS 366 3.379 -10.288 3.700 235 HG2 LYS 366 HG2 LYS 366 5.107 -10.758 5.524 236 HG3 LYS 366 HG1 LYS 366 6.231 -9.788 4.572 237 HD2 LYS 366 HD2 LYS 366 3.570 -8.875 5.700 238 HD3 LYS 366 HD1 LYS 366 5.170 -8.354 6.227 239 HE2 LYS 366 HE2 LYS 366 5.506 -7.621 3.758 240 HE3 LYS 366 HE1 LYS 366 3.750 -7.739 3.640 241 HZ1 LYS 366 HZ1 LYS 366 5.043 -6.223 5.820 242 HZ2 LYS 366 HZ2 LYS 366 3.453 -6.096 5.235 243 HZ3 LYS 366 HZ3 LYS 366 4.751 -5.508 4.309 244 H LYS 367 HN LYS 367 5.096 -13.874 1.727 245 HA LYS 367 HA LYS 367 3.923 -13.141 -0.695 246 HB2 LYS 367 HB2 LYS 367 3.986 -15.913 0.520 247 HB3 LYS 367 HB1 LYS 367 3.821 -15.520 -1.192 248 HG2 LYS 367 HG2 LYS 367 6.050 -14.276 -0.967 249 HG3 LYS 367 HG1 LYS 367 6.222 -15.085 0.592 250 HD2 LYS 367 HD2 LYS 367 5.852 -16.457 -2.089 251 HD3 LYS 367 HD1 LYS 367 7.351 -16.381 -1.163 252 HE2 LYS 367 HE2 LYS 367 6.553 -18.443 -0.469 253 HE3 LYS 367 HE1 LYS 367 5.824 -17.403 0.753 254 HZ1 LYS 367 HZ1 LYS 367 3.786 -17.777 -0.037 255 HZ2 LYS 367 HZ2 LYS 367 4.471 -19.112 -0.834 256 HZ3 LYS 367 HZ3 LYS 367 4.269 -17.639 -1.657 257 H1 ACE 336 HA2 ACE 336 36.790 9.812 -8.548 258 H2 ACE 336 HA3 ACE 336 38.332 8.965 -8.661 259 H3 ACE 336 HA1 ACE 336 38.279 10.621 -8.059 260 HN1 NH2 368 HN1 NH2 368 1.778 -12.916 -1.338 261 HN2 NH2 368 HN2 NH2 368 0.438 -13.404 -0.416 Start of MODEL 16 1 HA LYS 337 HA LYS 337 36.442 8.159 -4.621 2 H1 LYS 337 HN LYS 337 35.632 10.075 -6.572 3 HB2 LYS 337 HB2 LYS 337 36.937 9.559 -2.765 4 HB3 LYS 337 HB1 LYS 337 37.926 10.150 -4.096 5 HG2 LYS 337 HG2 LYS 337 35.355 11.359 -3.039 6 HG3 LYS 337 HG1 LYS 337 36.962 12.076 -3.034 7 HD2 LYS 337 HD2 LYS 337 36.886 11.903 -5.592 8 HD3 LYS 337 HD1 LYS 337 35.160 11.580 -5.406 9 HE2 LYS 337 HE2 LYS 337 34.865 13.696 -4.214 10 HE3 LYS 337 HE1 LYS 337 36.596 14.016 -4.316 11 HZ1 LYS 337 HZ1 LYS 337 36.489 14.323 -6.595 12 HZ2 LYS 337 HZ2 LYS 337 35.059 15.063 -6.055 13 HZ3 LYS 337 HZ3 LYS 337 35.006 13.514 -6.750 14 H SER 338 HN SER 338 34.122 9.171 -6.305 15 HA SER 338 HA SER 338 32.128 9.443 -4.135 16 HG SER 338 HG SER 338 31.378 10.372 -7.876 17 HB2 SER 338 HB2 SER 338 30.668 10.431 -5.926 18 HB3 SER 338 HB1 SER 338 32.089 11.393 -5.530 19 H TYR 339 HN TYR 339 32.621 6.945 -4.234 20 HA TYR 339 HA TYR 339 30.309 5.663 -5.088 21 HD1 TYR 339 HD1 TYR 339 33.969 5.644 -5.562 22 HD2 TYR 339 HD2 TYR 339 31.868 6.486 -9.213 23 HE1 TYR 339 HE1 TYR 339 35.970 6.784 -6.447 24 HE2 TYR 339 HE2 TYR 339 33.881 7.627 -10.103 25 HH TYR 339 HH TYR 339 36.094 7.962 -9.784 26 HB2 TYR 339 HB2 TYR 339 31.625 4.238 -6.954 27 HB3 TYR 339 HB1 TYR 339 30.683 5.671 -7.332 28 H MET 340 HN MET 340 33.023 3.765 -5.974 29 HA MET 340 HA MET 340 32.663 1.959 -3.820 30 HB2 MET 340 HB2 MET 340 34.654 0.833 -4.711 31 HB3 MET 340 HB1 MET 340 33.539 1.265 -6.007 32 HG2 MET 340 HG2 MET 340 35.573 2.004 -6.876 33 HG3 MET 340 HG1 MET 340 34.955 3.470 -6.118 34 HE1 MET 340 HE1 MET 340 37.898 3.686 -6.633 35 HE2 MET 340 HE2 MET 340 38.409 4.265 -5.050 36 HE3 MET 340 HE3 MET 340 36.854 4.769 -5.704 37 H ALA 341 HN ALA 341 33.976 4.962 -3.766 38 HA ALA 341 HA ALA 341 36.132 4.336 -1.877 39 HB1 ALA 341 HB1 ALA 341 35.280 7.028 -2.944 40 HB2 ALA 341 HB2 ALA 341 36.456 5.986 -3.747 41 HB3 ALA 341 HB3 ALA 341 36.798 6.627 -2.140 42 H TYR 342 HN TYR 342 32.948 5.804 -2.023 43 HA TYR 342 HA TYR 342 33.149 6.714 0.748 44 HD1 TYR 342 HD1 TYR 342 29.450 6.931 1.137 45 HD2 TYR 342 HD2 TYR 342 30.733 6.540 -2.941 46 HE1 TYR 342 HE1 TYR 342 27.265 5.923 0.547 47 HE2 TYR 342 HE2 TYR 342 28.550 5.531 -3.533 48 HH TYR 342 HH TYR 342 25.896 5.411 -1.227 49 HB2 TYR 342 HB2 TYR 342 31.435 8.142 0.270 50 HB3 TYR 342 HB1 TYR 342 31.995 7.872 -1.383 51 H LEU 343 HN LEU 343 31.129 4.518 -1.212 52 HA LEU 343 HA LEU 343 29.469 3.634 0.870 53 HG LEU 343 HG LEU 343 31.551 2.526 -1.849 54 HB2 LEU 343 HB2 LEU 343 28.924 1.760 -0.577 55 HB3 LEU 343 HB1 LEU 343 29.064 3.222 -1.544 56 HD11 LEU 343 HD11 LEU 343 32.171 0.609 -0.855 57 HD12 LEU 343 HD12 LEU 343 31.130 -0.237 -1.995 58 HD13 LEU 343 HD13 LEU 343 30.514 0.215 -0.411 59 HD21 LEU 343 HD21 LEU 343 30.639 0.780 -3.658 60 HD22 LEU 343 HD22 LEU 343 30.370 2.515 -3.822 61 HD23 LEU 343 HD23 LEU 343 29.095 1.482 -3.175 62 H SER 344 HN SER 344 32.776 3.084 0.298 63 HA SER 344 HA SER 344 32.871 0.595 1.823 64 HG SER 344 HG SER 344 33.998 0.358 -0.789 65 HB2 SER 344 HB2 SER 344 34.764 2.141 0.135 66 HB3 SER 344 HB1 SER 344 35.459 1.207 1.456 67 H ALA 345 HN ALA 345 32.527 3.742 2.577 68 HA ALA 345 HA ALA 345 34.123 3.510 5.062 69 HB1 ALA 345 HB1 ALA 345 34.198 6.006 5.037 70 HB2 ALA 345 HB2 ALA 345 33.441 5.974 3.444 71 HB3 ALA 345 HB3 ALA 345 35.042 5.269 3.674 72 H GLU 346 HN GLU 346 31.158 3.004 4.121 73 HA GLU 346 HA GLU 346 29.997 4.053 6.594 74 HB2 GLU 346 HB2 GLU 346 28.007 4.914 5.369 75 HB3 GLU 346 HB1 GLU 346 29.481 5.810 4.998 76 HG2 GLU 346 HG2 GLU 346 29.294 5.291 2.820 77 HG3 GLU 346 HG1 GLU 346 29.261 3.572 3.207 78 H LEU 347 HN LEU 347 30.447 1.566 6.657 79 HA LEU 347 HA LEU 347 27.888 0.265 6.045 80 HG LEU 347 HG LEU 347 31.326 -0.410 6.334 81 HB2 LEU 347 HB2 LEU 347 29.121 -1.781 5.304 82 HB3 LEU 347 HB1 LEU 347 29.321 -0.407 4.215 83 HD11 LEU 347 HD11 LEU 347 31.019 -2.858 6.169 84 HD12 LEU 347 HD12 LEU 347 32.582 -2.366 5.516 85 HD13 LEU 347 HD13 LEU 347 31.255 -2.766 4.424 86 HD21 LEU 347 HD21 LEU 347 32.817 -0.149 4.382 87 HD22 LEU 347 HD22 LEU 347 31.427 0.931 4.263 88 HD23 LEU 347 HD23 LEU 347 31.477 -0.551 3.307 89 H PHE 348 HN PHE 348 29.931 1.180 8.326 90 HA PHE 348 HA PHE 348 29.274 -1.091 10.094 91 HD1 PHE 348 HD1 PHE 348 31.745 1.142 8.009 92 HD2 PHE 348 HD2 PHE 348 32.745 0.621 12.154 93 HE1 PHE 348 HE1 PHE 348 33.058 3.230 7.948 94 HE2 PHE 348 HE2 PHE 348 34.069 2.715 12.093 95 HZ PHE 348 HZ PHE 348 34.229 4.021 9.991 96 HB2 PHE 348 HB2 PHE 348 31.479 -1.022 11.078 97 HB3 PHE 348 HB1 PHE 348 31.672 -1.193 9.334 98 H HIS 349 HN HIS 349 29.919 2.300 9.612 99 HA HIS 349 HA HIS 349 30.010 3.403 12.083 100 HD2 HIS 349 HD2 HIS 349 28.267 3.177 7.943 101 HE1 HIS 349 HE1 HIS 349 24.710 5.145 9.081 102 HE2 HIS 349 HE2 HIS 349 25.783 3.672 7.312 103 HB2 HIS 349 HB2 HIS 349 28.995 5.368 11.165 104 HB3 HIS 349 HB1 HIS 349 29.918 4.605 9.872 105 H LEU 350 HN LEU 350 27.165 1.986 10.552 106 HA LEU 350 HA LEU 350 25.097 2.774 12.128 107 HG LEU 350 HG LEU 350 26.963 0.012 10.794 108 HB2 LEU 350 HB2 LEU 350 24.624 0.062 11.981 109 HB3 LEU 350 HB1 LEU 350 24.205 1.231 10.734 110 HD11 LEU 350 HD11 LEU 350 25.615 -1.945 10.856 111 HD12 LEU 350 HD12 LEU 350 25.989 -1.691 9.152 112 HD13 LEU 350 HD13 LEU 350 24.406 -1.238 9.783 113 HD21 LEU 350 HD21 LEU 350 27.124 0.884 8.682 114 HD22 LEU 350 HD22 LEU 350 25.810 1.930 9.217 115 HD23 LEU 350 HD23 LEU 350 25.454 0.477 8.287 116 H SER 351 HN SER 351 27.423 0.189 12.905 117 HA SER 351 HA SER 351 26.318 -0.560 15.354 118 HG SER 351 HG SER 351 29.136 -1.543 16.603 119 HB2 SER 351 HB2 SER 351 28.146 -1.744 14.060 120 HB3 SER 351 HB1 SER 351 29.270 -0.570 14.739 121 H GLY 352 HN GLY 352 25.684 1.661 16.132 122 HA2 GLY 352 HA2 GLY 352 26.596 2.500 18.421 123 HA3 GLY 352 HA1 GLY 352 27.909 3.111 17.412 124 H ILE 353 HN ILE 353 26.379 3.720 15.155 125 HA ILE 353 HA ILE 353 25.090 6.191 16.052 126 HB ILE 353 HB ILE 353 26.210 5.203 13.440 127 HG12 ILE 353 HG12 ILE 353 26.820 7.888 14.522 128 HG13 ILE 353 HG11 ILE 353 27.343 6.549 15.544 129 HG21 ILE 353 HG21 ILE 353 24.315 6.297 12.627 130 HG22 ILE 353 HG22 ILE 353 25.478 7.619 12.705 131 HG23 ILE 353 HG23 ILE 353 24.268 7.435 13.973 132 HD11 ILE 353 HD11 ILE 353 29.112 7.158 13.948 133 HD12 ILE 353 HD12 ILE 353 27.999 6.892 12.607 134 HD13 ILE 353 HD13 ILE 353 28.508 5.535 13.615 135 H MET 354 HN MET 354 24.404 3.076 14.867 136 HA MET 354 HA MET 354 21.940 3.613 13.553 137 HB2 MET 354 HB2 MET 354 21.645 1.243 13.456 138 HB3 MET 354 HB1 MET 354 23.343 1.591 13.148 139 HG2 MET 354 HG2 MET 354 23.610 -0.064 14.728 140 HG3 MET 354 HG1 MET 354 23.475 1.318 15.812 141 HE1 MET 354 HE1 MET 354 21.620 -1.704 17.482 142 HE2 MET 354 HE2 MET 354 23.183 -0.947 17.188 143 HE3 MET 354 HE3 MET 354 22.552 -2.123 16.038 144 H ALA 355 HN ALA 355 22.894 2.745 16.806 145 HA ALA 355 HA ALA 355 20.323 2.121 17.824 146 HB1 ALA 355 HB1 ALA 355 21.869 3.127 19.939 147 HB2 ALA 355 HB2 ALA 355 23.022 2.382 18.832 148 HB3 ALA 355 HB3 ALA 355 21.680 1.435 19.476 149 H LEU 356 HN LEU 356 21.869 5.043 16.990 150 HA LEU 356 HA LEU 356 19.762 6.574 18.383 151 HG LEU 356 HG LEU 356 22.996 6.525 16.965 152 HB2 LEU 356 HB2 LEU 356 21.353 8.489 18.419 153 HB3 LEU 356 HB1 LEU 356 21.887 7.123 19.395 154 HD11 LEU 356 HD11 LEU 356 23.963 8.528 16.034 155 HD12 LEU 356 HD12 LEU 356 23.314 9.512 17.346 156 HD13 LEU 356 HD13 LEU 356 22.226 8.801 16.155 157 HD21 LEU 356 HD21 LEU 356 24.088 8.114 19.298 158 HD22 LEU 356 HD22 LEU 356 25.107 7.467 18.013 159 HD23 LEU 356 HD23 LEU 356 24.193 6.372 19.050 160 H ILE 357 HN ILE 357 20.905 5.524 15.425 161 HA ILE 357 HA ILE 357 20.855 7.529 13.599 162 HB ILE 357 HB ILE 357 19.968 4.752 13.597 163 HG12 ILE 357 HG12 ILE 357 21.065 6.513 11.383 164 HG13 ILE 357 HG11 ILE 357 22.066 5.719 12.592 165 HG21 ILE 357 HG21 ILE 357 17.800 5.601 12.871 166 HG22 ILE 357 HG22 ILE 357 18.636 4.920 11.483 167 HG23 ILE 357 HG23 ILE 357 18.576 6.665 11.691 168 HD11 ILE 357 HD11 ILE 357 22.120 3.920 11.238 169 HD12 ILE 357 HD12 ILE 357 20.896 4.615 10.177 170 HD13 ILE 357 HD13 ILE 357 20.408 3.685 11.593 171 H ALA 358 HN ALA 358 18.047 6.240 15.298 172 HA ALA 358 HA ALA 358 16.305 8.267 14.088 173 HB1 ALA 358 HB1 ALA 358 14.523 6.958 14.731 174 HB2 ALA 358 HB2 ALA 358 15.344 6.358 16.172 175 HB3 ALA 358 HB3 ALA 358 15.770 5.719 14.585 176 H SER 359 HN SER 359 17.857 7.499 17.131 177 HA SER 359 HA SER 359 16.339 9.484 18.613 178 HG SER 359 HG SER 359 17.564 8.460 21.520 179 HB2 SER 359 HB2 SER 359 17.601 7.202 19.371 180 HB3 SER 359 HB1 SER 359 18.824 8.401 19.783 181 H GLY 360 HN GLY 360 18.680 9.758 16.364 182 HA2 GLY 360 HA2 GLY 360 19.702 12.253 17.567 183 HA3 GLY 360 HA1 GLY 360 20.823 11.106 16.842 184 H VAL 361 HN VAL 361 17.593 12.106 15.757 185 HA VAL 361 HA VAL 361 18.575 13.775 13.653 186 HB VAL 361 HB VAL 361 18.994 11.282 12.952 187 HG11 VAL 361 HG11 VAL 361 17.149 10.110 12.077 188 HG12 VAL 361 HG12 VAL 361 16.138 11.555 12.028 189 HG13 VAL 361 HG13 VAL 361 16.514 10.794 13.574 190 HG21 VAL 361 HG21 VAL 361 18.001 12.045 10.580 191 HG22 VAL 361 HG22 VAL 361 19.448 12.786 11.262 192 HG23 VAL 361 HG23 VAL 361 17.888 13.594 11.419 193 H VAL 362 HN VAL 362 16.351 13.025 15.813 194 HA VAL 362 HA VAL 362 13.866 13.187 14.490 195 HB VAL 362 HB VAL 362 14.760 13.870 17.287 196 HG11 VAL 362 HG11 VAL 362 12.049 14.191 15.998 197 HG12 VAL 362 HG12 VAL 362 12.928 15.346 17.000 198 HG13 VAL 362 HG13 VAL 362 12.217 13.907 17.730 199 HG21 VAL 362 HG21 VAL 362 14.072 11.754 17.803 200 HG22 VAL 362 HG22 VAL 362 14.314 11.471 16.079 201 HG23 VAL 362 HG23 VAL 362 12.701 11.825 16.696 202 H MET 363 HN MET 363 16.312 15.438 14.731 203 HA MET 363 HA MET 363 15.081 17.889 15.123 204 HB2 MET 363 HB2 MET 363 17.289 17.153 13.198 205 HB3 MET 363 HB1 MET 363 16.881 18.801 13.680 206 HG2 MET 363 HG2 MET 363 17.175 17.063 15.995 207 HG3 MET 363 HG1 MET 363 18.639 17.071 15.010 208 HE1 MET 363 HE1 MET 363 19.852 19.060 14.211 209 HE2 MET 363 HE2 MET 363 20.466 18.597 15.796 210 HE3 MET 363 HE3 MET 363 20.255 20.301 15.404 211 H ARG 364 HN ARG 364 16.206 17.859 11.930 212 HA ARG 364 HA ARG 364 13.494 17.758 10.804 213 HE ARG 364 HE ARG 364 12.504 21.993 13.103 214 HB2 ARG 364 HB2 ARG 364 15.474 19.993 10.311 215 HB3 ARG 364 HB1 ARG 364 13.901 19.816 9.533 216 HG2 ARG 364 HG2 ARG 364 13.135 19.659 12.119 217 HG3 ARG 364 HG1 ARG 364 14.558 20.684 12.298 218 HD2 ARG 364 HD2 ARG 364 13.625 22.122 10.428 219 HD3 ARG 364 HD1 ARG 364 12.137 21.187 10.554 220 HH11 ARG 364 HH21 ARG 364 12.668 23.632 10.059 221 HH12 ARG 364 HH22 ARG 364 12.156 25.159 10.697 222 HH21 ARG 364 HH11 ARG 364 11.829 23.992 13.946 223 HH22 ARG 364 HH12 ARG 364 11.681 25.362 12.897 224 HA PRO 365 HA PRO 365 16.615 15.613 8.157 225 HB2 PRO 365 HB2 PRO 365 15.484 13.145 8.205 226 HB3 PRO 365 HB1 PRO 365 16.588 13.715 9.471 227 HG2 PRO 365 HG2 PRO 365 13.639 13.455 9.513 228 HG3 PRO 365 HG1 PRO 365 14.813 13.250 10.821 229 HD2 PRO 365 HD2 PRO 365 13.226 15.512 10.392 230 HD3 PRO 365 HD1 PRO 365 14.672 15.448 11.425 231 H LYS 366 HN LYS 366 13.081 15.229 8.186 232 HA LYS 366 HA LYS 366 11.550 15.003 6.473 233 HB2 LYS 366 HB2 LYS 366 13.425 17.000 5.184 234 HB3 LYS 366 HB1 LYS 366 11.736 16.730 4.754 235 HG2 LYS 366 HG2 LYS 366 11.136 17.305 7.146 236 HG3 LYS 366 HG1 LYS 366 12.813 17.800 7.375 237 HD2 LYS 366 HD2 LYS 366 10.898 18.941 5.317 238 HD3 LYS 366 HD1 LYS 366 11.412 19.742 6.803 239 HE2 LYS 366 HE2 LYS 366 13.833 19.263 5.847 240 HE3 LYS 366 HE1 LYS 366 12.977 19.199 4.306 241 HZ1 LYS 366 HZ1 LYS 366 12.093 21.379 4.701 242 HZ2 LYS 366 HZ2 LYS 366 13.783 21.436 4.866 243 HZ3 LYS 366 HZ3 LYS 366 12.792 21.438 6.246 244 H LYS 367 HN LYS 367 13.845 13.148 6.438 245 HA LYS 367 HA LYS 367 14.840 11.594 5.061 246 HB2 LYS 367 HB2 LYS 367 12.150 12.108 3.851 247 HB3 LYS 367 HB1 LYS 367 13.288 11.063 2.999 248 HG2 LYS 367 HG2 LYS 367 13.281 9.455 4.672 249 HG3 LYS 367 HG1 LYS 367 12.850 10.616 5.929 250 HD2 LYS 367 HD2 LYS 367 10.577 10.709 5.199 251 HD3 LYS 367 HD1 LYS 367 10.952 9.858 3.700 252 HE2 LYS 367 HE2 LYS 367 9.895 8.314 5.276 253 HE3 LYS 367 HE1 LYS 367 11.578 7.850 5.030 254 HZ1 LYS 367 HZ1 LYS 367 10.429 8.241 7.430 255 HZ2 LYS 367 HZ2 LYS 367 11.169 9.746 7.162 256 HZ3 LYS 367 HZ3 LYS 367 12.097 8.323 7.135 257 H1 ACE 336 HA2 ACE 336 38.260 10.862 -8.096 258 H2 ACE 336 HA3 ACE 336 36.680 10.185 -8.487 259 H3 ACE 336 HA1 ACE 336 38.135 9.213 -8.706 260 HN1 NH2 368 HN1 NH2 368 15.190 11.253 2.382 261 HN2 NH2 368 HN2 NH2 368 15.860 12.640 1.668 Start of MODEL 17 1 HA LYS 337 HA LYS 337 36.457 8.172 -4.577 2 H1 LYS 337 HN LYS 337 35.634 9.968 -6.642 3 HB2 LYS 337 HB2 LYS 337 36.868 9.684 -2.790 4 HB3 LYS 337 HB1 LYS 337 37.865 10.240 -4.131 5 HG2 LYS 337 HG2 LYS 337 35.230 11.410 -3.191 6 HG3 LYS 337 HG1 LYS 337 36.810 12.182 -3.185 7 HD2 LYS 337 HD2 LYS 337 36.803 11.873 -5.732 8 HD3 LYS 337 HD1 LYS 337 35.084 11.508 -5.569 9 HE2 LYS 337 HE2 LYS 337 34.699 13.674 -4.496 10 HE3 LYS 337 HE1 LYS 337 36.422 14.038 -4.570 11 HZ1 LYS 337 HZ1 LYS 337 36.326 14.489 -6.757 12 HZ2 LYS 337 HZ2 LYS 337 34.683 14.779 -6.435 13 HZ3 LYS 337 HZ3 LYS 337 35.174 13.286 -7.080 14 H SER 338 HN SER 338 34.152 9.020 -6.366 15 HA SER 338 HA SER 338 32.097 9.365 -4.266 16 HG SER 338 HG SER 338 31.519 10.172 -8.120 17 HB2 SER 338 HB2 SER 338 30.650 10.100 -6.220 18 HB3 SER 338 HB1 SER 338 31.960 11.191 -5.779 19 H TYR 339 HN TYR 339 32.732 6.880 -4.182 20 HA TYR 339 HA TYR 339 30.476 5.442 -4.947 21 HD1 TYR 339 HD1 TYR 339 34.146 5.509 -5.388 22 HD2 TYR 339 HD2 TYR 339 32.042 6.058 -9.093 23 HE1 TYR 339 HE1 TYR 339 36.113 6.669 -6.329 24 HE2 TYR 339 HE2 TYR 339 34.018 7.218 -10.039 25 HH TYR 339 HH TYR 339 37.051 7.462 -8.217 26 HB2 TYR 339 HB2 TYR 339 31.868 3.941 -6.694 27 HB3 TYR 339 HB1 TYR 339 30.877 5.305 -7.181 28 H MET 340 HN MET 340 33.215 3.536 -5.666 29 HA MET 340 HA MET 340 32.911 1.890 -3.407 30 HB2 MET 340 HB2 MET 340 35.155 0.973 -4.108 31 HB3 MET 340 HB1 MET 340 33.938 1.001 -5.383 32 HG2 MET 340 HG2 MET 340 35.583 3.453 -5.148 33 HG3 MET 340 HG1 MET 340 36.443 2.011 -5.685 34 HE1 MET 340 HE1 MET 340 36.526 4.277 -7.131 35 HE2 MET 340 HE2 MET 340 35.583 4.462 -8.608 36 HE3 MET 340 HE3 MET 340 36.757 3.155 -8.479 37 H ALA 341 HN ALA 341 34.117 4.962 -3.568 38 HA ALA 341 HA ALA 341 36.172 4.623 -1.516 39 HB1 ALA 341 HB1 ALA 341 35.172 7.095 -2.944 40 HB2 ALA 341 HB2 ALA 341 36.596 6.153 -3.392 41 HB3 ALA 341 HB3 ALA 341 36.562 7.026 -1.859 42 H TYR 342 HN TYR 342 32.941 5.969 -1.934 43 HA TYR 342 HA TYR 342 32.931 6.932 0.825 44 HD1 TYR 342 HD1 TYR 342 29.291 7.173 1.058 45 HD2 TYR 342 HD2 TYR 342 30.649 6.723 -2.991 46 HE1 TYR 342 HE1 TYR 342 27.101 6.197 0.432 47 HE2 TYR 342 HE2 TYR 342 28.461 5.745 -3.617 48 HH TYR 342 HH TYR 342 25.739 6.015 -1.795 49 HB2 TYR 342 HB2 TYR 342 31.308 8.378 0.181 50 HB3 TYR 342 HB1 TYR 342 31.916 8.016 -1.437 51 H LEU 343 HN LEU 343 31.010 4.707 -1.239 52 HA LEU 343 HA LEU 343 29.328 3.862 0.872 53 HG LEU 343 HG LEU 343 31.318 2.513 -1.742 54 HB2 LEU 343 HB2 LEU 343 28.649 2.040 -0.580 55 HB3 LEU 343 HB1 LEU 343 28.770 3.525 -1.518 56 HD11 LEU 343 HD11 LEU 343 31.252 0.168 -2.061 57 HD12 LEU 343 HD12 LEU 343 29.490 0.137 -2.096 58 HD13 LEU 343 HD13 LEU 343 30.337 0.417 -0.575 59 HD21 LEU 343 HD21 LEU 343 30.647 1.902 -4.026 60 HD22 LEU 343 HD22 LEU 343 29.849 3.402 -3.558 61 HD23 LEU 343 HD23 LEU 343 28.953 1.885 -3.541 62 H SER 344 HN SER 344 32.584 3.229 0.205 63 HA SER 344 HA SER 344 32.627 0.672 1.622 64 HG SER 344 HG SER 344 35.449 -0.239 0.653 65 HB2 SER 344 HB2 SER 344 34.087 0.976 -0.345 66 HB3 SER 344 HB1 SER 344 34.887 2.323 0.461 67 H ALA 345 HN ALA 345 32.326 3.763 2.528 68 HA ALA 345 HA ALA 345 33.975 3.424 4.965 69 HB1 ALA 345 HB1 ALA 345 34.020 5.916 5.064 70 HB2 ALA 345 HB2 ALA 345 33.214 5.958 3.496 71 HB3 ALA 345 HB3 ALA 345 34.831 5.267 3.640 72 H GLU 346 HN GLU 346 30.961 3.041 3.976 73 HA GLU 346 HA GLU 346 29.839 3.930 6.542 74 HB2 GLU 346 HB2 GLU 346 27.797 4.746 5.343 75 HB3 GLU 346 HB1 GLU 346 29.237 5.716 5.026 76 HG2 GLU 346 HG2 GLU 346 29.188 5.220 2.831 77 HG3 GLU 346 HG1 GLU 346 29.027 3.496 3.162 78 H LEU 347 HN LEU 347 30.402 1.439 6.452 79 HA LEU 347 HA LEU 347 27.853 0.072 5.909 80 HG LEU 347 HG LEU 347 31.330 -0.338 5.952 81 HB2 LEU 347 HB2 LEU 347 29.095 -1.883 5.014 82 HB3 LEU 347 HB1 LEU 347 29.273 -0.453 3.996 83 HD11 LEU 347 HD11 LEU 347 31.097 -3.033 4.577 84 HD12 LEU 347 HD12 LEU 347 31.022 -2.740 6.315 85 HD13 LEU 347 HD13 LEU 347 32.527 -2.462 5.437 86 HD21 LEU 347 HD21 LEU 347 31.329 -1.016 2.993 87 HD22 LEU 347 HD22 LEU 347 32.771 -0.592 3.917 88 HD23 LEU 347 HD23 LEU 347 31.481 0.592 3.702 89 H PHE 348 HN PHE 348 29.928 1.008 8.150 90 HA PHE 348 HA PHE 348 29.300 -1.246 9.904 91 HD1 PHE 348 HD1 PHE 348 31.653 1.637 9.135 92 HD2 PHE 348 HD2 PHE 348 33.038 -2.234 7.900 93 HE1 PHE 348 HE1 PHE 348 33.015 2.697 7.372 94 HE2 PHE 348 HE2 PHE 348 34.410 -1.173 6.127 95 HZ PHE 348 HZ PHE 348 34.400 1.292 5.862 96 HB2 PHE 348 HB2 PHE 348 31.862 -0.814 10.683 97 HB3 PHE 348 HB1 PHE 348 31.387 -2.084 9.555 98 H HIS 349 HN HIS 349 29.523 2.009 9.306 99 HA HIS 349 HA HIS 349 30.358 3.067 11.778 100 HD2 HIS 349 HD2 HIS 349 28.406 2.659 8.013 101 HE1 HIS 349 HE1 HIS 349 25.108 5.213 8.661 102 HE2 HIS 349 HE2 HIS 349 26.025 3.354 7.195 103 HB2 HIS 349 HB2 HIS 349 29.192 5.116 11.066 104 HB3 HIS 349 HB1 HIS 349 30.165 4.440 9.763 105 H LEU 350 HN LEU 350 27.043 2.675 10.531 106 HA LEU 350 HA LEU 350 25.565 3.379 12.694 107 HG LEU 350 HG LEU 350 25.758 2.086 9.499 108 HB2 LEU 350 HB2 LEU 350 24.191 1.136 11.914 109 HB3 LEU 350 HB1 LEU 350 24.059 2.716 11.150 110 HD11 LEU 350 HD11 LEU 350 27.283 0.582 10.313 111 HD12 LEU 350 HD12 LEU 350 26.153 -0.599 9.656 112 HD13 LEU 350 HD13 LEU 350 26.098 -0.188 11.368 113 HD21 LEU 350 HD21 LEU 350 23.907 -0.271 9.599 114 HD22 LEU 350 HD22 LEU 350 24.375 0.721 8.218 115 HD23 LEU 350 HD23 LEU 350 23.235 1.349 9.409 116 H SER 351 HN SER 351 27.762 0.736 12.547 117 HA SER 351 HA SER 351 26.562 -0.859 14.599 118 HG SER 351 HG SER 351 30.326 -1.337 14.550 119 HB2 SER 351 HB2 SER 351 28.455 -2.224 14.432 120 HB3 SER 351 HB1 SER 351 28.313 -1.539 12.815 121 H GLY 352 HN GLY 352 26.318 1.483 15.800 122 HA2 GLY 352 HA2 GLY 352 27.116 1.497 18.273 123 HA3 GLY 352 HA1 GLY 352 28.671 1.881 17.533 124 H ILE 353 HN ILE 353 27.302 3.277 15.334 125 HA ILE 353 HA ILE 353 27.017 5.854 16.658 126 HB ILE 353 HB ILE 353 27.406 4.962 13.815 127 HG12 ILE 353 HG12 ILE 353 28.899 7.147 15.220 128 HG13 ILE 353 HG11 ILE 353 29.219 5.480 15.695 129 HG21 ILE 353 HG21 ILE 353 27.372 7.573 13.442 130 HG22 ILE 353 HG22 ILE 353 26.303 7.558 14.845 131 HG23 ILE 353 HG23 ILE 353 25.867 6.657 13.393 132 HD11 ILE 353 HD11 ILE 353 30.763 6.186 13.913 133 HD12 ILE 353 HD12 ILE 353 29.391 6.577 12.875 134 HD13 ILE 353 HD13 ILE 353 29.697 4.903 13.341 135 H MET 354 HN MET 354 25.162 3.377 15.132 136 HA MET 354 HA MET 354 22.867 4.920 14.477 137 HB2 MET 354 HB2 MET 354 21.790 2.866 13.999 138 HB3 MET 354 HB1 MET 354 23.474 2.654 13.531 139 HG2 MET 354 HG2 MET 354 23.121 0.711 14.753 140 HG3 MET 354 HG1 MET 354 23.734 1.781 16.012 141 HE1 MET 354 HE1 MET 354 19.596 -0.001 15.456 142 HE2 MET 354 HE2 MET 354 21.175 -0.661 15.037 143 HE3 MET 354 HE3 MET 354 20.520 0.689 14.114 144 H ALA 355 HN ALA 355 23.878 3.076 17.283 145 HA ALA 355 HA ALA 355 21.423 3.087 18.685 146 HB1 ALA 355 HB1 ALA 355 24.135 2.238 19.137 147 HB2 ALA 355 HB2 ALA 355 22.656 1.691 19.929 148 HB3 ALA 355 HB3 ALA 355 23.529 3.087 20.560 149 H LEU 356 HN LEU 356 23.740 5.511 18.058 150 HA LEU 356 HA LEU 356 22.502 7.249 20.103 151 HG LEU 356 HG LEU 356 25.378 6.507 18.091 152 HB2 LEU 356 HB2 LEU 356 24.609 8.474 20.242 153 HB3 LEU 356 HB1 LEU 356 24.867 6.772 20.601 154 HD11 LEU 356 HD11 LEU 356 25.068 8.411 16.888 155 HD12 LEU 356 HD12 LEU 356 26.627 8.894 17.547 156 HD13 LEU 356 HD13 LEU 356 25.141 9.445 18.311 157 HD21 LEU 356 HD21 LEU 356 27.099 6.208 19.735 158 HD22 LEU 356 HD22 LEU 356 27.202 7.945 20.028 159 HD23 LEU 356 HD23 LEU 356 27.763 7.274 18.496 160 H ILE 357 HN ILE 357 22.922 6.623 16.800 161 HA ILE 357 HA ILE 357 23.233 8.904 15.402 162 HB ILE 357 HB ILE 357 21.462 6.601 15.102 163 HG12 ILE 357 HG12 ILE 357 22.839 8.377 13.063 164 HG13 ILE 357 HG11 ILE 357 23.628 7.050 13.906 165 HG21 ILE 357 HG21 ILE 357 20.035 7.654 13.325 166 HG22 ILE 357 HG22 ILE 357 20.599 9.232 13.853 167 HG23 ILE 357 HG23 ILE 357 19.648 8.218 14.945 168 HD11 ILE 357 HD11 ILE 357 21.878 6.963 11.593 169 HD12 ILE 357 HD12 ILE 357 21.265 5.935 12.888 170 HD13 ILE 357 HD13 ILE 357 22.897 5.692 12.266 171 H ALA 358 HN ALA 358 20.380 8.147 17.340 172 HA ALA 358 HA ALA 358 19.300 10.840 16.906 173 HB1 ALA 358 HB1 ALA 358 17.265 10.021 17.605 174 HB2 ALA 358 HB2 ALA 358 17.992 8.863 18.720 175 HB3 ALA 358 HB3 ALA 358 17.987 8.535 16.987 176 H SER 359 HN SER 359 20.576 8.788 19.486 177 HA SER 359 HA SER 359 20.085 10.653 21.596 178 HG SER 359 HG SER 359 19.908 9.402 23.246 179 HB2 SER 359 HB2 SER 359 20.767 8.024 21.523 180 HB3 SER 359 HB1 SER 359 22.324 8.752 21.910 181 H GLY 360 HN GLY 360 22.084 10.902 19.004 182 HA2 GLY 360 HA2 GLY 360 24.035 12.570 20.488 183 HA3 GLY 360 HA1 GLY 360 24.481 11.599 19.088 184 H VAL 361 HN VAL 361 21.744 12.303 17.953 185 HA VAL 361 HA VAL 361 22.084 15.121 17.305 186 HB VAL 361 HB VAL 361 22.654 12.849 15.481 187 HG11 VAL 361 HG11 VAL 361 22.049 14.403 13.525 188 HG12 VAL 361 HG12 VAL 361 21.061 15.298 14.676 189 HG13 VAL 361 HG13 VAL 361 20.703 13.603 14.331 190 HG21 VAL 361 HG21 VAL 361 24.406 14.402 16.265 191 HG22 VAL 361 HG22 VAL 361 23.518 15.758 15.572 192 HG23 VAL 361 HG23 VAL 361 24.196 14.518 14.518 193 H VAL 362 HN VAL 362 20.125 15.972 17.556 194 HA VAL 362 HA VAL 362 17.831 14.901 16.204 195 HB VAL 362 HB VAL 362 17.904 13.410 18.178 196 HG11 VAL 362 HG11 VAL 362 17.240 15.740 19.937 197 HG12 VAL 362 HG12 VAL 362 18.935 15.432 19.560 198 HG13 VAL 362 HG13 VAL 362 17.970 14.192 20.360 199 HG21 VAL 362 HG21 VAL 362 15.600 13.669 18.761 200 HG22 VAL 362 HG22 VAL 362 15.744 14.279 17.112 201 HG23 VAL 362 HG23 VAL 362 15.647 15.407 18.465 202 H MET 363 HN MET 363 16.084 16.351 16.174 203 HA MET 363 HA MET 363 16.417 18.887 17.624 204 HB2 MET 363 HB2 MET 363 15.736 18.922 14.695 205 HB3 MET 363 HB1 MET 363 16.335 20.234 15.711 206 HG2 MET 363 HG2 MET 363 18.470 18.850 15.990 207 HG3 MET 363 HG1 MET 363 17.866 17.842 14.674 208 HE1 MET 363 HE1 MET 363 20.546 19.782 12.782 209 HE2 MET 363 HE2 MET 363 19.885 18.227 13.282 210 HE3 MET 363 HE3 MET 363 20.646 19.277 14.474 211 H ARG 364 HN ARG 364 14.408 20.338 16.996 212 HA ARG 364 HA ARG 364 11.978 18.852 16.470 213 HE ARG 364 HE ARG 364 8.473 17.347 18.697 214 HB2 ARG 364 HB2 ARG 364 12.666 18.580 18.988 215 HB3 ARG 364 HB1 ARG 364 12.060 20.230 19.130 216 HG2 ARG 364 HG2 ARG 364 10.086 19.103 19.493 217 HG3 ARG 364 HG1 ARG 364 10.028 19.186 17.732 218 HD2 ARG 364 HD2 ARG 364 11.093 16.954 17.604 219 HD3 ARG 364 HD1 ARG 364 11.104 16.869 19.363 220 HH11 ARG 364 HH21 ARG 364 10.894 15.004 17.905 221 HH12 ARG 364 HH22 ARG 364 9.764 13.712 17.672 222 HH21 ARG 364 HH11 ARG 364 6.986 15.657 18.396 223 HH22 ARG 364 HH12 ARG 364 7.552 14.083 17.951 224 HA PRO 365 HA PRO 365 12.221 23.520 15.623 225 HB2 PRO 365 HB2 PRO 365 11.982 23.268 12.882 226 HB3 PRO 365 HB1 PRO 365 13.528 23.404 13.741 227 HG2 PRO 365 HG2 PRO 365 12.149 20.979 12.698 228 HG3 PRO 365 HG1 PRO 365 13.874 21.390 12.690 229 HD2 PRO 365 HD2 PRO 365 12.823 19.643 14.469 230 HD3 PRO 365 HD1 PRO 365 14.183 20.708 14.890 231 H LYS 366 HN LYS 366 10.358 21.010 13.910 232 HA LYS 366 HA LYS 366 8.124 20.828 13.407 233 HB2 LYS 366 HB2 LYS 366 7.697 22.755 15.696 234 HB3 LYS 366 HB1 LYS 366 6.562 21.558 15.072 235 HG2 LYS 366 HG2 LYS 366 8.069 19.743 15.769 236 HG3 LYS 366 HG1 LYS 366 9.232 20.927 16.366 237 HD2 LYS 366 HD2 LYS 366 6.469 21.229 17.394 238 HD3 LYS 366 HD1 LYS 366 7.325 19.783 17.930 239 HE2 LYS 366 HE2 LYS 366 7.706 21.692 19.467 240 HE3 LYS 366 HE1 LYS 366 9.205 21.159 18.707 241 HZ1 LYS 366 HZ1 LYS 366 9.246 22.978 17.308 242 HZ2 LYS 366 HZ2 LYS 366 8.658 23.653 18.753 243 HZ3 LYS 366 HZ3 LYS 366 7.589 23.296 17.482 244 H LYS 367 HN LYS 367 9.862 23.464 12.817 245 HA LYS 367 HA LYS 367 9.591 25.296 11.457 246 HB2 LYS 367 HB2 LYS 367 6.831 24.327 10.760 247 HB3 LYS 367 HB1 LYS 367 8.001 25.172 9.744 248 HG2 LYS 367 HG2 LYS 367 9.450 22.978 10.308 249 HG3 LYS 367 HG1 LYS 367 7.834 22.282 10.438 250 HD2 LYS 367 HD2 LYS 367 7.290 23.216 8.189 251 HD3 LYS 367 HD1 LYS 367 8.954 23.786 8.056 252 HE2 LYS 367 HE2 LYS 367 8.878 21.678 6.921 253 HE3 LYS 367 HE1 LYS 367 9.681 21.379 8.462 254 HZ1 LYS 367 HZ1 LYS 367 6.763 21.039 8.137 255 HZ2 LYS 367 HZ2 LYS 367 7.771 20.416 9.355 256 HZ3 LYS 367 HZ3 LYS 367 7.848 19.786 7.779 257 H1 ACE 336 HA2 ACE 336 38.255 10.726 -8.163 258 H2 ACE 336 HA3 ACE 336 36.708 9.971 -8.550 259 H3 ACE 336 HA1 ACE 336 38.202 9.042 -8.684 260 HN1 NH2 368 HN1 NH2 368 7.548 24.697 14.098 261 HN2 NH2 368 HN2 NH2 368 6.859 26.244 14.224 Start of MODEL 18 1 HA LYS 337 HA LYS 337 36.573 8.199 -4.395 2 H1 LYS 337 HN LYS 337 35.854 9.898 -6.555 3 HB2 LYS 337 HB2 LYS 337 36.945 9.757 -2.631 4 HB3 LYS 337 HB1 LYS 337 38.024 10.225 -3.941 5 HG2 LYS 337 HG2 LYS 337 35.389 11.527 -3.186 6 HG3 LYS 337 HG1 LYS 337 36.997 12.235 -3.097 7 HD2 LYS 337 HD2 LYS 337 37.131 11.839 -5.637 8 HD3 LYS 337 HD1 LYS 337 35.385 11.582 -5.563 9 HE2 LYS 337 HE2 LYS 337 35.510 13.874 -5.990 10 HE3 LYS 337 HE1 LYS 337 35.385 13.841 -4.231 11 HZ1 LYS 337 HZ1 LYS 337 37.696 14.445 -5.921 12 HZ2 LYS 337 HZ2 LYS 337 37.980 13.677 -4.432 13 HZ3 LYS 337 HZ3 LYS 337 37.189 15.180 -4.480 14 H SER 338 HN SER 338 34.349 9.004 -6.277 15 HA SER 338 HA SER 338 32.231 9.409 -4.247 16 HG SER 338 HG SER 338 30.751 11.154 -4.847 17 HB2 SER 338 HB2 SER 338 32.600 11.191 -6.084 18 HB3 SER 338 HB1 SER 338 31.896 10.003 -7.175 19 H TYR 339 HN TYR 339 32.725 6.928 -4.172 20 HA TYR 339 HA TYR 339 30.496 5.570 -5.115 21 HD1 TYR 339 HD1 TYR 339 34.168 5.561 -5.298 22 HD2 TYR 339 HD2 TYR 339 32.404 6.165 -9.167 23 HE1 TYR 339 HE1 TYR 339 36.257 6.606 -6.078 24 HE2 TYR 339 HE2 TYR 339 34.507 7.217 -9.953 25 HH TYR 339 HH TYR 339 37.294 7.614 -7.761 26 HB2 TYR 339 HB2 TYR 339 31.915 4.081 -6.827 27 HB3 TYR 339 HB1 TYR 339 31.041 5.517 -7.330 28 H MET 340 HN MET 340 33.213 3.611 -5.747 29 HA MET 340 HA MET 340 32.765 1.932 -3.521 30 HB2 MET 340 HB2 MET 340 34.731 0.737 -4.247 31 HB3 MET 340 HB1 MET 340 33.849 1.255 -5.684 32 HG2 MET 340 HG2 MET 340 35.465 3.418 -5.248 33 HG3 MET 340 HG1 MET 340 36.501 2.101 -4.696 34 HE1 MET 340 HE1 MET 340 36.942 4.119 -6.922 35 HE2 MET 340 HE2 MET 340 35.406 4.111 -7.785 36 HE3 MET 340 HE3 MET 340 36.862 3.528 -8.587 37 H ALA 341 HN ALA 341 34.070 4.953 -3.599 38 HA ALA 341 HA ALA 341 36.085 4.499 -1.527 39 HB1 ALA 341 HB1 ALA 341 36.658 6.830 -1.847 40 HB2 ALA 341 HB2 ALA 341 35.219 7.084 -2.835 41 HB3 ALA 341 HB3 ALA 341 36.526 6.057 -3.427 42 H TYR 342 HN TYR 342 32.875 5.862 -1.958 43 HA TYR 342 HA TYR 342 32.863 6.831 0.807 44 HD1 TYR 342 HD2 TYR 342 29.148 7.124 0.929 45 HD2 TYR 342 HD1 TYR 342 30.719 6.614 -3.034 46 HE1 TYR 342 HE2 TYR 342 26.992 6.140 0.200 47 HE2 TYR 342 HE1 TYR 342 28.567 5.629 -3.764 48 HH TYR 342 HH TYR 342 25.781 5.973 -2.243 49 HB2 TYR 342 HB2 TYR 342 31.217 8.272 0.186 50 HB3 TYR 342 HB1 TYR 342 31.880 7.973 -1.422 51 H LEU 343 HN LEU 343 30.949 4.639 -1.290 52 HA LEU 343 HA LEU 343 29.221 3.783 0.776 53 HG LEU 343 HG LEU 343 31.280 2.220 -1.702 54 HB2 LEU 343 HB2 LEU 343 28.476 2.084 -0.711 55 HB3 LEU 343 HB1 LEU 343 28.874 3.469 -1.721 56 HD11 LEU 343 HD11 LEU 343 29.447 -0.125 -2.020 57 HD12 LEU 343 HD12 LEU 343 29.924 0.321 -0.385 58 HD13 LEU 343 HD13 LEU 343 31.152 -0.091 -1.579 59 HD21 LEU 343 HD21 LEU 343 30.570 1.277 -3.916 60 HD22 LEU 343 HD22 LEU 343 30.081 2.956 -3.696 61 HD23 LEU 343 HD23 LEU 343 28.902 1.664 -3.502 62 H SER 344 HN SER 344 32.498 3.142 0.167 63 HA SER 344 HA SER 344 32.508 0.612 1.637 64 HG SER 344 HG SER 344 33.521 1.434 -1.170 65 HB2 SER 344 HB2 SER 344 34.791 2.209 0.450 66 HB3 SER 344 HB1 SER 344 34.916 0.597 1.148 67 H ALA 345 HN ALA 345 32.306 3.775 2.413 68 HA ALA 345 HA ALA 345 33.947 3.501 4.861 69 HB1 ALA 345 HB1 ALA 345 33.857 6.009 4.917 70 HB2 ALA 345 HB2 ALA 345 33.071 5.964 3.338 71 HB3 ALA 345 HB3 ALA 345 34.716 5.355 3.523 72 H GLU 346 HN GLU 346 30.905 3.068 3.878 73 HA GLU 346 HA GLU 346 29.798 3.939 6.466 74 HB2 GLU 346 HB2 GLU 346 27.707 4.625 5.292 75 HB3 GLU 346 HB1 GLU 346 29.096 5.633 4.875 76 HG2 GLU 346 HG2 GLU 346 28.908 5.071 2.709 77 HG3 GLU 346 HG1 GLU 346 29.001 3.358 3.115 78 H LEU 347 HN LEU 347 30.454 1.492 6.512 79 HA LEU 347 HA LEU 347 27.983 -0.023 5.998 80 HG LEU 347 HG LEU 347 31.471 -0.234 6.133 81 HB2 LEU 347 HB2 LEU 347 29.342 -1.962 5.246 82 HB3 LEU 347 HB1 LEU 347 29.477 -0.583 4.154 83 HD11 LEU 347 HD11 LEU 347 32.781 -2.330 5.829 84 HD12 LEU 347 HD12 LEU 347 31.410 -3.038 4.975 85 HD13 LEU 347 HD13 LEU 347 31.262 -2.614 6.680 86 HD21 LEU 347 HD21 LEU 347 32.979 -0.580 4.160 87 HD22 LEU 347 HD22 LEU 347 31.642 0.518 3.820 88 HD23 LEU 347 HD23 LEU 347 31.585 -1.147 3.240 89 H PHE 348 HN PHE 348 30.057 1.099 8.205 90 HA PHE 348 HA PHE 348 29.456 -1.075 10.083 91 HD1 PHE 348 HD1 PHE 348 31.637 1.880 9.165 92 HD2 PHE 348 HD2 PHE 348 33.295 -1.965 8.216 93 HE1 PHE 348 HE1 PHE 348 32.962 2.908 7.356 94 HE2 PHE 348 HE2 PHE 348 34.628 -0.935 6.396 95 HZ PHE 348 HZ PHE 348 34.463 1.500 5.964 96 HB2 PHE 348 HB2 PHE 348 31.978 -0.452 10.879 97 HB3 PHE 348 HB1 PHE 348 31.593 -1.813 9.825 98 H HIS 349 HN HIS 349 29.509 2.151 9.316 99 HA HIS 349 HA HIS 349 30.251 3.422 11.698 100 HD2 HIS 349 HD2 HIS 349 28.052 3.066 7.784 101 HE1 HIS 349 HE1 HIS 349 24.525 4.767 9.363 102 HE2 HIS 349 HE2 HIS 349 25.479 3.378 7.462 103 HB2 HIS 349 HB2 HIS 349 29.013 5.330 10.879 104 HB3 HIS 349 HB1 HIS 349 29.823 4.560 9.517 105 H LEU 350 HN LEU 350 27.065 2.274 10.608 106 HA LEU 350 HA LEU 350 25.350 3.030 12.519 107 HG LEU 350 HG LEU 350 26.928 0.118 11.230 108 HB2 LEU 350 HB2 LEU 350 24.487 0.530 12.383 109 HB3 LEU 350 HB1 LEU 350 24.370 1.597 10.988 110 HD11 LEU 350 HD11 LEU 350 25.783 -1.932 10.217 111 HD12 LEU 350 HD12 LEU 350 24.270 -1.258 10.822 112 HD13 LEU 350 HD13 LEU 350 25.556 -1.691 11.949 113 HD21 LEU 350 HD21 LEU 350 26.784 0.095 8.881 114 HD22 LEU 350 HD22 LEU 350 25.977 1.604 9.302 115 HD23 LEU 350 HD23 LEU 350 25.024 0.180 8.897 116 H SER 351 HN SER 351 27.562 0.250 12.894 117 HA SER 351 HA SER 351 26.791 -0.432 15.488 118 HG SER 351 HG SER 351 30.290 -1.097 15.713 119 HB2 SER 351 HB2 SER 351 28.083 -2.045 14.421 120 HB3 SER 351 HB1 SER 351 29.280 -0.871 13.881 121 H GLY 352 HN GLY 352 26.539 1.830 16.369 122 HA2 GLY 352 HA2 GLY 352 27.929 2.506 18.472 123 HA3 GLY 352 HA1 GLY 352 29.088 3.019 17.244 124 H ILE 353 HN ILE 353 27.225 3.829 15.318 125 HA ILE 353 HA ILE 353 26.384 6.389 16.461 126 HB ILE 353 HB ILE 353 26.897 5.363 13.681 127 HG12 ILE 353 HG12 ILE 353 27.932 7.965 14.640 128 HG13 ILE 353 HG11 ILE 353 28.517 6.565 15.538 129 HG21 ILE 353 HG21 ILE 353 24.993 6.632 13.230 130 HG22 ILE 353 HG22 ILE 353 26.260 7.850 13.103 131 HG23 ILE 353 HG23 ILE 353 25.287 7.741 14.569 132 HD11 ILE 353 HD11 ILE 353 29.203 5.497 13.414 133 HD12 ILE 353 HD12 ILE 353 30.006 7.051 13.646 134 HD13 ILE 353 HD13 ILE 353 28.646 6.920 12.533 135 H MET 354 HN MET 354 25.182 3.394 15.348 136 HA MET 354 HA MET 354 22.575 4.209 14.569 137 HB2 MET 354 HB2 MET 354 22.043 1.887 14.457 138 HB3 MET 354 HB1 MET 354 23.689 2.081 13.869 139 HG2 MET 354 HG2 MET 354 24.000 0.315 15.334 140 HG3 MET 354 HG1 MET 354 24.286 1.665 16.429 141 HE1 MET 354 HE1 MET 354 21.438 -0.480 14.839 142 HE2 MET 354 HE2 MET 354 20.831 -1.279 16.287 143 HE3 MET 354 HE3 MET 354 22.513 -1.497 15.809 144 H ALA 355 HN ALA 355 24.039 3.073 17.544 145 HA ALA 355 HA ALA 355 21.670 2.657 19.031 146 HB1 ALA 355 HB1 ALA 355 24.512 2.566 19.479 147 HB2 ALA 355 HB2 ALA 355 23.221 1.793 20.399 148 HB3 ALA 355 HB3 ALA 355 23.729 3.433 20.802 149 H LEU 356 HN LEU 356 23.301 5.467 17.996 150 HA LEU 356 HA LEU 356 21.669 7.108 19.832 151 HG LEU 356 HG LEU 356 24.558 6.824 17.814 152 HB2 LEU 356 HB2 LEU 356 23.417 8.872 19.600 153 HB3 LEU 356 HB1 LEU 356 23.987 7.421 20.420 154 HD11 LEU 356 HD11 LEU 356 25.316 9.727 18.144 155 HD12 LEU 356 HD12 LEU 356 23.845 9.247 17.300 156 HD13 LEU 356 HD13 LEU 356 25.418 8.734 16.692 157 HD21 LEU 356 HD21 LEU 356 26.904 7.503 18.449 158 HD22 LEU 356 HD22 LEU 356 26.093 6.514 19.663 159 HD23 LEU 356 HD23 LEU 356 26.232 8.256 19.894 160 H ILE 357 HN ILE 357 22.099 6.115 16.668 161 HA ILE 357 HA ILE 357 21.877 8.224 14.970 162 HB ILE 357 HB ILE 357 20.761 5.526 15.025 163 HG12 ILE 357 HG12 ILE 357 21.608 7.311 12.722 164 HG13 ILE 357 HG11 ILE 357 22.726 6.362 13.693 165 HG21 ILE 357 HG21 ILE 357 18.588 6.590 14.745 166 HG22 ILE 357 HG22 ILE 357 19.095 5.937 13.195 167 HG23 ILE 357 HG23 ILE 357 19.235 7.664 13.499 168 HD11 ILE 357 HD11 ILE 357 21.047 5.509 11.488 169 HD12 ILE 357 HD12 ILE 357 20.728 4.545 12.928 170 HD13 ILE 357 HD13 ILE 357 22.365 4.647 12.280 171 H ALA 358 HN ALA 358 19.321 7.017 17.088 172 HA ALA 358 HA ALA 358 17.598 9.288 16.390 173 HB1 ALA 358 HB1 ALA 358 15.838 8.066 17.216 174 HB2 ALA 358 HB2 ALA 358 16.816 7.304 18.471 175 HB3 ALA 358 HB3 ALA 358 16.922 6.738 16.804 176 H SER 359 HN SER 359 19.278 7.876 19.171 177 HA SER 359 HA SER 359 18.410 9.807 21.070 178 HG SER 359 HG SER 359 20.116 9.034 23.387 179 HB2 SER 359 HB2 SER 359 19.775 7.431 21.200 180 HB3 SER 359 HB1 SER 359 21.044 8.602 21.547 181 H GLY 360 HN GLY 360 20.167 10.302 18.377 182 HA2 GLY 360 HA2 GLY 360 21.981 12.286 19.598 183 HA3 GLY 360 HA1 GLY 360 22.179 11.576 18.002 184 H VAL 361 HN VAL 361 18.967 12.205 18.434 185 HA VAL 361 HA VAL 361 19.055 14.997 17.636 186 HB VAL 361 HB VAL 361 18.650 12.749 15.779 187 HG11 VAL 361 HG11 VAL 361 16.730 15.099 15.840 188 HG12 VAL 361 HG12 VAL 361 16.322 13.378 15.852 189 HG13 VAL 361 HG13 VAL 361 17.004 14.113 14.406 190 HG21 VAL 361 HG21 VAL 361 20.435 14.414 15.514 191 HG22 VAL 361 HG22 VAL 361 19.238 15.705 15.424 192 HG23 VAL 361 HG23 VAL 361 19.323 14.489 14.151 193 H VAL 362 HN VAL 362 16.936 12.131 17.803 194 HA VAL 362 HA VAL 362 14.753 11.914 18.536 195 HB VAL 362 HB VAL 362 15.914 13.674 20.704 196 HG11 VAL 362 HG11 VAL 362 14.160 11.979 21.919 197 HG12 VAL 362 HG12 VAL 362 13.344 12.232 20.376 198 HG13 VAL 362 HG13 VAL 362 13.739 13.611 21.403 199 HG21 VAL 362 HG21 VAL 362 16.173 11.326 21.776 200 HG22 VAL 362 HG22 VAL 362 17.330 11.801 20.533 201 HG23 VAL 362 HG23 VAL 362 16.000 10.716 20.131 202 H MET 363 HN MET 363 15.530 14.512 16.984 203 HA MET 363 HA MET 363 14.552 16.531 16.410 204 HB2 MET 363 HB2 MET 363 11.909 15.202 16.912 205 HB3 MET 363 HB1 MET 363 12.401 16.239 15.573 206 HG2 MET 363 HG2 MET 363 14.012 14.384 14.895 207 HG3 MET 363 HG1 MET 363 13.180 13.359 16.066 208 HE1 MET 363 HE1 MET 363 10.290 12.016 14.395 209 HE2 MET 363 HE2 MET 363 11.017 12.431 15.946 210 HE3 MET 363 HE3 MET 363 11.966 11.564 14.740 211 H ARG 364 HN ARG 364 11.688 17.027 17.411 212 HA ARG 364 HA ARG 364 12.094 17.606 20.229 213 HE ARG 364 HE ARG 364 11.809 23.023 21.510 214 HB2 ARG 364 HB2 ARG 364 13.186 19.527 19.149 215 HB3 ARG 364 HB1 ARG 364 11.717 19.845 18.225 216 HG2 ARG 364 HG2 ARG 364 10.713 20.862 19.978 217 HG3 ARG 364 HG1 ARG 364 11.208 19.592 21.097 218 HD2 ARG 364 HD2 ARG 364 13.378 20.580 21.387 219 HD3 ARG 364 HD1 ARG 364 13.102 21.713 20.066 220 HH11 ARG 364 HH21 ARG 364 12.598 19.953 22.896 221 HH12 ARG 364 HH22 ARG 364 12.069 20.381 24.489 222 HH21 ARG 364 HH11 ARG 364 11.115 23.593 23.597 223 HH22 ARG 364 HH12 ARG 364 11.229 22.441 24.885 224 HA PRO 365 HA PRO 365 7.709 16.903 18.975 225 HB2 PRO 365 HB2 PRO 365 7.266 14.667 20.441 226 HB3 PRO 365 HB1 PRO 365 8.027 14.617 18.840 227 HG2 PRO 365 HG2 PRO 365 9.254 14.357 21.522 228 HG3 PRO 365 HG1 PRO 365 9.706 13.595 19.991 229 HD2 PRO 365 HD2 PRO 365 10.958 15.820 21.148 230 HD3 PRO 365 HD1 PRO 365 11.141 15.287 19.463 231 H LYS 366 HN LYS 366 9.180 16.527 22.190 232 HA LYS 366 HA LYS 366 8.576 17.320 24.258 233 HB2 LYS 366 HB2 LYS 366 6.655 19.183 22.870 234 HB3 LYS 366 HB1 LYS 366 7.526 19.432 24.382 235 HG2 LYS 366 HG2 LYS 366 9.675 19.248 22.971 236 HG3 LYS 366 HG1 LYS 366 8.624 19.457 21.570 237 HD2 LYS 366 HD2 LYS 366 9.010 21.375 23.880 238 HD3 LYS 366 HD1 LYS 366 9.405 21.647 22.182 239 HE2 LYS 366 HE2 LYS 366 6.898 21.253 21.723 240 HE3 LYS 366 HE1 LYS 366 6.676 21.460 23.460 241 HZ1 LYS 366 HZ1 LYS 366 6.494 23.510 21.975 242 HZ2 LYS 366 HZ2 LYS 366 8.187 23.435 21.869 243 HZ3 LYS 366 HZ3 LYS 366 7.435 23.636 23.379 244 H LYS 367 HN LYS 367 7.307 15.017 23.435 245 HA LYS 367 HA LYS 367 4.540 14.925 23.445 246 HB2 LYS 367 HB2 LYS 367 6.708 13.058 24.240 247 HB3 LYS 367 HB1 LYS 367 5.088 12.682 24.826 248 HG2 LYS 367 HG2 LYS 367 5.509 13.411 21.938 249 HG3 LYS 367 HG1 LYS 367 5.830 11.766 22.490 250 HD2 LYS 367 HD2 LYS 367 3.263 12.954 23.392 251 HD3 LYS 367 HD1 LYS 367 3.386 12.598 21.669 252 HE2 LYS 367 HE2 LYS 367 2.493 10.666 22.950 253 HE3 LYS 367 HE1 LYS 367 4.026 10.284 22.166 254 HZ1 LYS 367 HZ1 LYS 367 3.898 9.552 24.506 255 HZ2 LYS 367 HZ2 LYS 367 3.766 11.177 24.985 256 HZ3 LYS 367 HZ3 LYS 367 5.177 10.627 24.214 257 H1 ACE 336 HA2 ACE 336 38.550 9.002 -8.425 258 H2 ACE 336 HA3 ACE 336 38.529 10.705 -7.971 259 H3 ACE 336 HA1 ACE 336 37.026 9.889 -8.399 260 HN1 NH2 368 HN1 NH2 368 5.909 13.607 26.416 261 HN2 NH2 368 HN2 NH2 368 5.004 14.579 27.473 Start of MODEL 19 1 HA LYS 337 HA LYS 337 36.447 8.204 -4.576 2 H1 LYS 337 HN LYS 337 35.645 9.948 -6.671 3 HB2 LYS 337 HB2 LYS 337 36.898 9.726 -2.800 4 HB3 LYS 337 HB1 LYS 337 37.919 10.222 -4.147 5 HG2 LYS 337 HG2 LYS 337 35.321 11.505 -3.249 6 HG3 LYS 337 HG1 LYS 337 36.930 12.214 -3.220 7 HD2 LYS 337 HD2 LYS 337 36.947 11.870 -5.770 8 HD3 LYS 337 HD1 LYS 337 35.208 11.603 -5.622 9 HE2 LYS 337 HE2 LYS 337 35.139 13.875 -5.896 10 HE3 LYS 337 HE1 LYS 337 35.439 13.860 -4.158 11 HZ1 LYS 337 HZ1 LYS 337 37.180 15.134 -4.727 12 HZ2 LYS 337 HZ2 LYS 337 37.201 14.595 -6.338 13 HZ3 LYS 337 HZ3 LYS 337 37.920 13.658 -5.116 14 H SER 338 HN SER 338 34.145 9.061 -6.348 15 HA SER 338 HA SER 338 32.120 9.442 -4.221 16 HG SER 338 HG SER 338 30.283 11.637 -5.879 17 HB2 SER 338 HB2 SER 338 32.410 11.234 -6.062 18 HB3 SER 338 HB1 SER 338 31.652 10.053 -7.127 19 H TYR 339 HN TYR 339 32.621 6.958 -4.189 20 HA TYR 339 HA TYR 339 30.342 5.613 -5.039 21 HD1 TYR 339 HD1 TYR 339 34.015 5.554 -5.393 22 HD2 TYR 339 HD2 TYR 339 32.052 6.276 -9.145 23 HE1 TYR 339 HE1 TYR 339 36.062 6.622 -6.252 24 HE2 TYR 339 HE2 TYR 339 34.112 7.349 -10.009 25 HH TYR 339 HH TYR 339 37.092 7.426 -8.080 26 HB2 TYR 339 HB2 TYR 339 31.693 4.124 -6.812 27 HB3 TYR 339 HB1 TYR 339 30.790 5.556 -7.273 28 H MET 340 HN MET 340 33.017 3.643 -5.785 29 HA MET 340 HA MET 340 32.651 1.965 -3.546 30 HB2 MET 340 HB2 MET 340 34.823 0.936 -4.325 31 HB3 MET 340 HB1 MET 340 33.566 1.040 -5.557 32 HG2 MET 340 HG2 MET 340 35.350 3.397 -5.352 33 HG3 MET 340 HG1 MET 340 36.104 1.918 -5.946 34 HE1 MET 340 HE1 MET 340 36.251 4.208 -7.354 35 HE2 MET 340 HE2 MET 340 35.231 4.509 -8.758 36 HE3 MET 340 HE3 MET 340 36.339 3.140 -8.762 37 H ALA 341 HN ALA 341 34.011 4.966 -3.687 38 HA ALA 341 HA ALA 341 36.117 4.481 -1.719 39 HB1 ALA 341 HB1 ALA 341 36.462 6.059 -3.621 40 HB2 ALA 341 HB2 ALA 341 36.674 6.818 -2.043 41 HB3 ALA 341 HB3 ALA 341 35.187 7.079 -2.955 42 H TYR 342 HN TYR 342 32.884 5.802 -1.961 43 HA TYR 342 HA TYR 342 33.012 6.781 0.799 44 HD1 TYR 342 HD1 TYR 342 29.329 6.973 1.121 45 HD2 TYR 342 HD2 TYR 342 30.661 6.592 -2.943 46 HE1 TYR 342 HE1 TYR 342 27.153 5.962 0.503 47 HE2 TYR 342 HE2 TYR 342 28.486 5.580 -3.563 48 HH TYR 342 HH TYR 342 26.450 4.243 -1.582 49 HB2 TYR 342 HB2 TYR 342 31.317 8.202 0.264 50 HB3 TYR 342 HB1 TYR 342 31.906 7.911 -1.376 51 H LEU 343 HN LEU 343 31.040 4.551 -1.194 52 HA LEU 343 HA LEU 343 29.400 3.675 0.927 53 HG LEU 343 HG LEU 343 31.439 2.013 -1.512 54 HB2 LEU 343 HB2 LEU 343 28.629 1.980 -0.519 55 HB3 LEU 343 HB1 LEU 343 29.061 3.308 -1.590 56 HD11 LEU 343 HD11 LEU 343 31.270 -0.285 -1.266 57 HD12 LEU 343 HD12 LEU 343 29.562 -0.311 -1.702 58 HD13 LEU 343 HD13 LEU 343 30.052 0.212 -0.094 59 HD21 LEU 343 HD21 LEU 343 30.393 2.610 -3.573 60 HD22 LEU 343 HD22 LEU 343 29.020 1.552 -3.268 61 HD23 LEU 343 HD23 LEU 343 30.598 0.861 -3.641 62 H SER 344 HN SER 344 32.671 3.060 0.186 63 HA SER 344 HA SER 344 32.797 0.576 1.711 64 HG SER 344 HG SER 344 34.673 -0.523 1.347 65 HB2 SER 344 HB2 SER 344 34.188 1.010 -0.369 66 HB3 SER 344 HB1 SER 344 35.100 2.178 0.584 67 H ALA 345 HN ALA 345 32.491 3.711 2.498 68 HA ALA 345 HA ALA 345 34.196 3.474 4.907 69 HB1 ALA 345 HB1 ALA 345 35.017 5.260 3.488 70 HB2 ALA 345 HB2 ALA 345 34.237 5.969 4.902 71 HB3 ALA 345 HB3 ALA 345 33.396 5.943 3.352 72 H GLU 346 HN GLU 346 31.176 2.982 4.066 73 HA GLU 346 HA GLU 346 30.129 3.949 6.623 74 HB2 GLU 346 HB2 GLU 346 28.083 4.841 5.500 75 HB3 GLU 346 HB1 GLU 346 29.542 5.762 5.130 76 HG2 GLU 346 HG2 GLU 346 29.337 5.313 2.937 77 HG3 GLU 346 HG1 GLU 346 29.249 3.583 3.261 78 H LEU 347 HN LEU 347 30.526 1.481 6.653 79 HA LEU 347 HA LEU 347 27.956 0.200 6.044 80 HG LEU 347 HG LEU 347 31.394 -0.495 6.302 81 HB2 LEU 347 HB2 LEU 347 29.175 -1.843 5.274 82 HB3 LEU 347 HB1 LEU 347 29.372 -0.460 4.199 83 HD11 LEU 347 HD11 LEU 347 32.638 -2.445 5.432 84 HD12 LEU 347 HD12 LEU 347 31.282 -2.833 4.371 85 HD13 LEU 347 HD13 LEU 347 31.090 -2.936 6.122 86 HD21 LEU 347 HD21 LEU 347 32.872 -0.222 4.340 87 HD22 LEU 347 HD22 LEU 347 31.491 0.871 4.249 88 HD23 LEU 347 HD23 LEU 347 31.520 -0.597 3.273 89 H PHE 348 HN PHE 348 30.016 1.082 8.321 90 HA PHE 348 HA PHE 348 29.360 -1.202 10.070 91 HD1 PHE 348 HD1 PHE 348 31.810 1.045 7.992 92 HD2 PHE 348 HD2 PHE 348 32.877 0.435 12.106 93 HE1 PHE 348 HE1 PHE 348 33.136 3.126 7.948 94 HE2 PHE 348 HE2 PHE 348 34.214 2.522 12.065 95 HZ PHE 348 HZ PHE 348 34.346 3.870 9.988 96 HB2 PHE 348 HB2 PHE 348 31.577 -1.176 11.021 97 HB3 PHE 348 HB1 PHE 348 31.747 -1.316 9.270 98 H HIS 349 HN HIS 349 29.894 2.184 9.574 99 HA HIS 349 HA HIS 349 30.069 3.216 12.120 100 HD2 HIS 349 HD2 HIS 349 28.416 3.106 7.982 101 HE1 HIS 349 HE1 HIS 349 25.000 5.378 8.979 102 HE2 HIS 349 HE2 HIS 349 25.999 3.791 7.268 103 HB2 HIS 349 HB2 HIS 349 29.197 5.258 11.231 104 HB3 HIS 349 HB1 HIS 349 30.121 4.485 9.943 105 H LEU 350 HN LEU 350 27.100 2.298 10.380 106 HA LEU 350 HA LEU 350 25.128 3.147 12.023 107 HG LEU 350 HG LEU 350 25.736 2.139 9.246 108 HB2 LEU 350 HB2 LEU 350 24.691 0.330 11.434 109 HB3 LEU 350 HB1 LEU 350 23.819 1.746 10.854 110 HD11 LEU 350 HD11 LEU 350 26.931 0.112 10.783 111 HD12 LEU 350 HD12 LEU 350 27.550 0.805 9.286 112 HD13 LEU 350 HD13 LEU 350 26.553 -0.645 9.236 113 HD21 LEU 350 HD21 LEU 350 24.166 -0.447 9.044 114 HD22 LEU 350 HD22 LEU 350 24.976 0.348 7.693 115 HD23 LEU 350 HD23 LEU 350 23.629 1.145 8.505 116 H SER 351 HN SER 351 27.175 0.295 12.603 117 HA SER 351 HA SER 351 25.916 -0.655 14.909 118 HG SER 351 HG SER 351 29.493 -0.483 13.585 119 HB2 SER 351 HB2 SER 351 27.883 -1.910 15.306 120 HB3 SER 351 HB1 SER 351 27.787 -1.739 13.557 121 H GLY 352 HN GLY 352 25.343 1.544 15.855 122 HA2 GLY 352 HA2 GLY 352 26.118 2.129 18.259 123 HA3 GLY 352 HA1 GLY 352 27.559 2.708 17.419 124 H ILE 353 HN ILE 353 26.246 3.595 15.094 125 HA ILE 353 HA ILE 353 25.129 6.113 16.076 126 HB ILE 353 HB ILE 353 26.262 5.167 13.453 127 HG12 ILE 353 HG12 ILE 353 27.053 7.729 14.700 128 HG13 ILE 353 HG11 ILE 353 27.427 6.296 15.658 129 HG21 ILE 353 HG21 ILE 353 25.776 7.663 12.815 130 HG22 ILE 353 HG22 ILE 353 24.510 7.538 14.034 131 HG23 ILE 353 HG23 ILE 353 24.500 6.461 12.638 132 HD11 ILE 353 HD11 ILE 353 29.288 6.863 14.136 133 HD12 ILE 353 HD12 ILE 353 28.199 6.718 12.758 134 HD13 ILE 353 HD13 ILE 353 28.586 5.298 13.730 135 H MET 354 HN MET 354 24.200 3.123 14.804 136 HA MET 354 HA MET 354 21.863 3.881 13.367 137 HB2 MET 354 HB2 MET 354 21.332 1.532 13.336 138 HB3 MET 354 HB1 MET 354 23.059 1.718 13.042 139 HG2 MET 354 HG2 MET 354 23.288 1.475 15.623 140 HG3 MET 354 HG1 MET 354 21.666 0.792 15.541 141 HE1 MET 354 HE1 MET 354 22.206 -0.390 12.314 142 HE2 MET 354 HE2 MET 354 21.043 -0.782 13.578 143 HE3 MET 354 HE3 MET 354 22.087 -2.044 12.930 144 H ALA 355 HN ALA 355 22.554 2.813 16.646 145 HA ALA 355 HA ALA 355 19.907 2.496 17.556 146 HB1 ALA 355 HB1 ALA 355 22.567 2.458 18.674 147 HB2 ALA 355 HB2 ALA 355 21.099 1.684 19.273 148 HB3 ALA 355 HB3 ALA 355 21.473 3.344 19.735 149 H LEU 356 HN LEU 356 21.750 5.255 16.794 150 HA LEU 356 HA LEU 356 19.745 6.976 18.113 151 HG LEU 356 HG LEU 356 23.023 6.620 16.863 152 HB2 LEU 356 HB2 LEU 356 21.513 8.722 18.263 153 HB3 LEU 356 HB1 LEU 356 21.856 7.299 19.243 154 HD11 LEU 356 HD11 LEU 356 23.474 9.585 17.303 155 HD12 LEU 356 HD12 LEU 356 22.587 8.882 15.951 156 HD13 LEU 356 HD13 LEU 356 24.315 8.580 16.125 157 HD21 LEU 356 HD21 LEU 356 24.113 8.020 19.309 158 HD22 LEU 356 HD22 LEU 356 25.164 7.394 18.040 159 HD23 LEU 356 HD23 LEU 356 24.132 6.293 18.951 160 H ILE 357 HN ILE 357 20.935 5.853 15.191 161 HA ILE 357 HA ILE 357 21.171 7.883 13.405 162 HB ILE 357 HB ILE 357 20.004 5.209 13.294 163 HG12 ILE 357 HG12 ILE 357 21.407 6.872 11.181 164 HG13 ILE 357 HG11 ILE 357 22.248 5.970 12.434 165 HG21 ILE 357 HG21 ILE 357 18.835 5.561 11.104 166 HG22 ILE 357 HG22 ILE 357 18.938 7.297 11.363 167 HG23 ILE 357 HG23 ILE 357 17.987 6.288 12.461 168 HD11 ILE 357 HD11 ILE 357 22.197 4.179 11.070 169 HD12 ILE 357 HD12 ILE 357 21.133 5.012 9.939 170 HD13 ILE 357 HD13 ILE 357 20.450 4.129 11.303 171 H ALA 358 HN ALA 358 18.177 6.858 14.960 172 HA ALA 358 HA ALA 358 16.703 9.063 13.702 173 HB1 ALA 358 HB1 ALA 358 14.775 7.917 14.203 174 HB2 ALA 358 HB2 ALA 358 15.438 7.236 15.689 175 HB3 ALA 358 HB3 ALA 358 15.904 6.563 14.126 176 H SER 359 HN SER 359 18.179 8.189 16.708 177 HA SER 359 HA SER 359 16.743 10.236 18.213 178 HG SER 359 HG SER 359 19.624 8.216 20.118 179 HB2 SER 359 HB2 SER 359 17.477 9.167 20.082 180 HB3 SER 359 HB1 SER 359 17.736 7.836 18.959 181 H GLY 360 HN GLY 360 19.171 10.321 16.039 182 HA2 GLY 360 HA2 GLY 360 20.334 12.730 17.272 183 HA3 GLY 360 HA1 GLY 360 21.411 11.476 16.664 184 H VAL 361 HN VAL 361 18.386 12.847 15.372 185 HA VAL 361 HA VAL 361 19.694 14.261 13.261 186 HB VAL 361 HB VAL 361 19.787 11.718 12.659 187 HG11 VAL 361 HG11 VAL 361 17.236 11.608 13.206 188 HG12 VAL 361 HG12 VAL 361 17.833 10.753 11.783 189 HG13 VAL 361 HG13 VAL 361 17.030 12.314 11.603 190 HG21 VAL 361 HG21 VAL 361 19.066 14.094 11.008 191 HG22 VAL 361 HG22 VAL 361 18.955 12.517 10.226 192 HG23 VAL 361 HG23 VAL 361 20.486 13.054 10.918 193 H VAL 362 HN VAL 362 17.339 14.038 15.349 194 HA VAL 362 HA VAL 362 14.928 14.425 13.955 195 HB VAL 362 HB VAL 362 15.883 15.289 16.680 196 HG11 VAL 362 HG11 VAL 362 14.284 16.965 16.186 197 HG12 VAL 362 HG12 VAL 362 13.365 15.731 17.047 198 HG13 VAL 362 HG13 VAL 362 13.259 15.842 15.291 199 HG21 VAL 362 HG21 VAL 362 14.554 13.487 17.459 200 HG22 VAL 362 HG22 VAL 362 15.341 12.850 16.016 201 HG23 VAL 362 HG23 VAL 362 13.661 13.382 15.942 202 H MET 363 HN MET 363 17.673 16.293 13.964 203 HA MET 363 HA MET 363 16.787 18.934 14.039 204 HB2 MET 363 HB2 MET 363 18.945 17.667 12.347 205 HB3 MET 363 HB1 MET 363 18.752 19.404 12.593 206 HG2 MET 363 HG2 MET 363 18.683 18.078 15.143 207 HG3 MET 363 HG1 MET 363 20.121 17.559 14.263 208 HE1 MET 363 HE1 MET 363 17.933 20.750 14.992 209 HE2 MET 363 HE2 MET 363 19.084 21.619 16.003 210 HE3 MET 363 HE3 MET 363 18.548 20.008 16.476 211 H ARG 364 HN ARG 364 18.028 18.570 10.962 212 HA ARG 364 HA ARG 364 15.461 18.324 9.607 213 HE ARG 364 HE ARG 364 14.131 23.326 11.711 214 HB2 ARG 364 HB2 ARG 364 17.116 20.851 9.519 215 HB3 ARG 364 HB1 ARG 364 15.816 20.474 8.388 216 HG2 ARG 364 HG2 ARG 364 14.304 20.173 10.415 217 HG3 ARG 364 HG1 ARG 364 15.605 20.872 11.379 218 HD2 ARG 364 HD2 ARG 364 15.294 22.577 9.156 219 HD3 ARG 364 HD1 ARG 364 13.666 22.204 9.711 220 HH11 ARG 364 HH21 ARG 364 16.954 22.923 9.755 221 HH12 ARG 364 HH22 ARG 364 17.921 24.022 10.681 222 HH21 ARG 364 HH11 ARG 364 15.391 24.769 12.930 223 HH22 ARG 364 HH12 ARG 364 17.036 25.067 12.480 224 HA PRO 365 HA PRO 365 19.026 16.733 7.170 225 HB2 PRO 365 HB2 PRO 365 18.198 14.155 6.984 226 HB3 PRO 365 HB1 PRO 365 19.080 14.774 8.392 227 HG2 PRO 365 HG2 PRO 365 16.212 14.136 8.095 228 HG3 PRO 365 HG1 PRO 365 17.245 14.068 9.529 229 HD2 PRO 365 HD2 PRO 365 15.417 16.125 8.877 230 HD3 PRO 365 HD1 PRO 365 16.650 16.177 10.154 231 H LYS 366 HN LYS 366 15.595 15.849 6.782 232 HA LYS 366 HA LYS 366 14.242 15.705 4.931 233 HB2 LYS 366 HB2 LYS 366 16.193 17.648 3.681 234 HB3 LYS 366 HB1 LYS 366 14.492 17.423 3.273 235 HG2 LYS 366 HG2 LYS 366 13.841 18.192 5.521 236 HG3 LYS 366 HG1 LYS 366 15.539 18.405 5.945 237 HD2 LYS 366 HD2 LYS 366 14.787 19.746 3.441 238 HD3 LYS 366 HD1 LYS 366 13.925 20.360 4.853 239 HE2 LYS 366 HE2 LYS 366 16.140 21.503 4.371 240 HE3 LYS 366 HE1 LYS 366 15.979 20.846 6.000 241 HZ1 LYS 366 HZ1 LYS 366 17.563 19.831 3.737 242 HZ2 LYS 366 HZ2 LYS 366 17.028 18.756 4.940 243 HZ3 LYS 366 HZ3 LYS 366 18.028 20.066 5.351 244 H LYS 367 HN LYS 367 15.962 13.610 5.117 245 HA LYS 367 HA LYS 367 17.104 11.989 3.935 246 HB2 LYS 367 HB2 LYS 367 15.276 12.977 1.733 247 HB3 LYS 367 HB1 LYS 367 16.048 11.395 1.820 248 HG2 LYS 367 HG2 LYS 367 14.843 11.352 4.204 249 HG3 LYS 367 HG1 LYS 367 13.745 12.467 3.388 250 HD2 LYS 367 HD2 LYS 367 13.519 10.808 1.529 251 HD3 LYS 367 HD1 LYS 367 14.501 9.680 2.464 252 HE2 LYS 367 HE2 LYS 367 12.295 9.059 3.012 253 HE3 LYS 367 HE1 LYS 367 12.779 10.084 4.362 254 HZ1 LYS 367 HZ1 LYS 367 11.672 11.943 3.345 255 HZ2 LYS 367 HZ2 LYS 367 10.577 10.652 3.485 256 HZ3 LYS 367 HZ3 LYS 367 11.274 11.019 1.980 257 H1 ACE 336 HA2 ACE 336 36.745 9.975 -8.560 258 H2 ACE 336 HA3 ACE 336 38.252 9.066 -8.667 259 H3 ACE 336 HA1 ACE 336 38.277 10.759 -8.179 260 HN1 NH2 368 HN1 NH2 368 19.192 13.213 3.924 261 HN2 NH2 368 HN2 NH2 368 19.767 13.856 2.463 Start of MODEL 20 1 HA LYS 337 HA LYS 337 36.924 8.596 -6.450 2 H1 LYS 337 HN LYS 337 34.556 9.690 -7.569 3 HB2 LYS 337 HB2 LYS 337 37.984 10.519 -5.521 4 HB3 LYS 337 HB1 LYS 337 37.753 10.863 -7.231 5 HG2 LYS 337 HG2 LYS 337 36.090 11.898 -4.916 6 HG3 LYS 337 HG1 LYS 337 37.103 12.833 -6.009 7 HD2 LYS 337 HD2 LYS 337 35.592 11.949 -7.896 8 HD3 LYS 337 HD1 LYS 337 34.481 11.464 -6.611 9 HE2 LYS 337 HE2 LYS 337 33.675 13.584 -6.906 10 HE3 LYS 337 HE1 LYS 337 35.007 13.997 -5.826 11 HZ1 LYS 337 HZ1 LYS 337 35.994 15.120 -7.442 12 HZ2 LYS 337 HZ2 LYS 337 34.617 14.884 -8.409 13 HZ3 LYS 337 HZ3 LYS 337 35.918 13.796 -8.500 14 H SER 338 HN SER 338 33.904 8.686 -6.278 15 HA SER 338 HA SER 338 33.734 9.047 -3.347 16 HG SER 338 HG SER 338 31.056 8.821 -5.782 17 HB2 SER 338 HB2 SER 338 31.319 9.628 -3.728 18 HB3 SER 338 HB1 SER 338 32.458 10.823 -4.341 19 H TYR 339 HN TYR 339 31.963 7.558 -6.054 20 HA TYR 339 HA TYR 339 30.372 5.711 -5.173 21 HD1 TYR 339 HD1 TYR 339 33.999 5.642 -5.522 22 HD2 TYR 339 HD2 TYR 339 32.132 5.642 -9.392 23 HE1 TYR 339 HE1 TYR 339 36.081 6.448 -6.509 24 HE2 TYR 339 HE2 TYR 339 34.247 6.454 -10.395 25 HH TYR 339 HH TYR 339 37.186 6.828 -8.436 26 HB2 TYR 339 HB2 TYR 339 31.600 4.009 -6.789 27 HB3 TYR 339 HB1 TYR 339 30.790 5.441 -7.405 28 H MET 340 HN MET 340 33.073 3.720 -5.801 29 HA MET 340 HA MET 340 32.716 2.090 -3.543 30 HB2 MET 340 HB2 MET 340 34.790 1.000 -4.248 31 HB3 MET 340 HB1 MET 340 33.771 1.344 -5.647 32 HG2 MET 340 HG2 MET 340 35.160 3.628 -5.642 33 HG3 MET 340 HG1 MET 340 36.350 2.616 -4.824 34 HE1 MET 340 HE1 MET 340 36.216 3.197 -9.065 35 HE2 MET 340 HE2 MET 340 36.629 4.124 -7.625 36 HE3 MET 340 HE3 MET 340 34.938 3.831 -8.019 37 H ALA 341 HN ALA 341 34.027 5.139 -3.638 38 HA ALA 341 HA ALA 341 36.076 4.679 -1.606 39 HB1 ALA 341 HB1 ALA 341 36.579 6.259 -3.379 40 HB2 ALA 341 HB2 ALA 341 36.447 7.129 -1.850 41 HB3 ALA 341 HB3 ALA 341 35.119 7.178 -3.012 42 H TYR 342 HN TYR 342 32.811 5.804 -1.882 43 HA TYR 342 HA TYR 342 32.846 6.846 0.857 44 HD1 TYR 342 HD2 TYR 342 29.221 7.056 1.122 45 HD2 TYR 342 HD1 TYR 342 30.513 6.647 -2.952 46 HE1 TYR 342 HE2 TYR 342 27.029 6.067 0.522 47 HE2 TYR 342 HE1 TYR 342 28.333 5.654 -3.551 48 HH TYR 342 HH TYR 342 26.362 4.948 -2.799 49 HB2 TYR 342 HB2 TYR 342 31.220 8.288 0.212 50 HB3 TYR 342 HB1 TYR 342 31.815 7.911 -1.410 51 H LEU 343 HN LEU 343 30.933 4.615 -1.197 52 HA LEU 343 HA LEU 343 29.216 3.741 0.853 53 HG LEU 343 HG LEU 343 31.383 2.078 -1.461 54 HB2 LEU 343 HB2 LEU 343 28.536 2.012 -0.606 55 HB3 LEU 343 HB1 LEU 343 28.985 3.346 -1.663 56 HD11 LEU 343 HD11 LEU 343 29.485 -0.231 -1.753 57 HD12 LEU 343 HD12 LEU 343 29.978 0.257 -0.133 58 HD13 LEU 343 HD13 LEU 343 31.190 -0.242 -1.311 59 HD21 LEU 343 HD21 LEU 343 30.673 0.959 -3.654 60 HD22 LEU 343 HD22 LEU 343 30.453 2.706 -3.571 61 HD23 LEU 343 HD23 LEU 343 29.071 1.634 -3.362 62 H SER 344 HN SER 344 32.530 3.131 0.321 63 HA SER 344 HA SER 344 32.551 0.646 1.852 64 HG SER 344 HG SER 344 35.702 0.008 1.224 65 HB2 SER 344 HB2 SER 344 34.115 0.703 0.048 66 HB3 SER 344 HB1 SER 344 34.715 2.288 0.528 67 H ALA 345 HN ALA 345 32.240 3.805 2.599 68 HA ALA 345 HA ALA 345 33.733 3.536 5.142 69 HB1 ALA 345 HB1 ALA 345 34.699 5.298 3.755 70 HB2 ALA 345 HB2 ALA 345 33.879 6.010 5.145 71 HB3 ALA 345 HB3 ALA 345 33.110 6.039 3.558 72 H GLU 346 HN GLU 346 30.942 2.752 4.400 73 HA GLU 346 HA GLU 346 29.635 3.987 6.684 74 HB2 GLU 346 HB2 GLU 346 27.596 4.530 5.272 75 HB3 GLU 346 HB1 GLU 346 28.981 5.599 5.051 76 HG2 GLU 346 HG2 GLU 346 29.204 5.001 2.890 77 HG3 GLU 346 HG1 GLU 346 29.127 3.287 3.292 78 H LEU 347 HN LEU 347 30.473 1.398 6.411 79 HA LEU 347 HA LEU 347 27.930 -0.075 6.067 80 HG LEU 347 HG LEU 347 31.411 -0.375 6.348 81 HB2 LEU 347 HB2 LEU 347 29.253 -2.025 5.359 82 HB3 LEU 347 HB1 LEU 347 29.513 -0.656 4.278 83 HD11 LEU 347 HD11 LEU 347 32.616 -2.527 6.230 84 HD12 LEU 347 HD12 LEU 347 31.320 -3.200 5.242 85 HD13 LEU 347 HD13 LEU 347 31.007 -2.745 6.917 86 HD21 LEU 347 HD21 LEU 347 31.617 -1.360 3.486 87 HD22 LEU 347 HD22 LEU 347 33.003 -0.884 4.465 88 HD23 LEU 347 HD23 LEU 347 31.771 0.305 4.044 89 H PHE 348 HN PHE 348 30.054 1.067 8.252 90 HA PHE 348 HA PHE 348 29.383 -1.054 10.183 91 HD1 PHE 348 HD1 PHE 348 31.611 1.994 9.379 92 HD2 PHE 348 HD2 PHE 348 33.199 -1.880 8.428 93 HE1 PHE 348 HE1 PHE 348 32.971 3.001 7.577 94 HE2 PHE 348 HE2 PHE 348 34.566 -0.874 6.621 95 HZ PHE 348 HZ PHE 348 34.453 1.566 6.193 96 HB2 PHE 348 HB2 PHE 348 31.831 -0.266 11.082 97 HB3 PHE 348 HB1 PHE 348 31.560 -1.695 10.084 98 H HIS 349 HN HIS 349 29.483 2.178 9.315 99 HA HIS 349 HA HIS 349 29.958 3.518 11.715 100 HD2 HIS 349 HD2 HIS 349 27.998 2.249 8.337 101 HE1 HIS 349 HE1 HIS 349 24.978 5.143 7.774 102 HE2 HIS 349 HE2 HIS 349 25.776 2.827 7.099 103 HB2 HIS 349 HB2 HIS 349 28.682 5.374 10.736 104 HB3 HIS 349 HB1 HIS 349 29.788 4.669 9.559 105 H LEU 350 HN LEU 350 27.435 1.404 10.913 106 HA LEU 350 HA LEU 350 25.844 2.357 13.224 107 HG LEU 350 HG LEU 350 25.555 3.397 10.389 108 HB2 LEU 350 HB2 LEU 350 24.798 1.047 10.704 109 HB3 LEU 350 HB1 LEU 350 23.829 1.568 12.082 110 HD11 LEU 350 HD11 LEU 350 23.676 2.635 9.071 111 HD12 LEU 350 HD12 LEU 350 23.320 4.273 9.619 112 HD13 LEU 350 HD13 LEU 350 22.567 2.893 10.418 113 HD21 LEU 350 HD21 LEU 350 25.385 4.515 12.419 114 HD22 LEU 350 HD22 LEU 350 23.846 3.761 12.828 115 HD23 LEU 350 HD23 LEU 350 23.903 5.062 11.640 116 H SER 351 HN SER 351 27.944 0.538 13.506 117 HA SER 351 HA SER 351 27.520 -2.143 13.255 118 HG SER 351 HG SER 351 28.532 -2.292 16.674 119 HB2 SER 351 HB2 SER 351 29.536 -1.505 14.289 120 HB3 SER 351 HB1 SER 351 28.709 -0.553 15.519 121 H GLY 352 HN GLY 352 25.429 -2.867 13.367 122 HA2 GLY 352 HA2 GLY 352 24.278 -4.033 15.427 123 HA3 GLY 352 HA1 GLY 352 23.863 -2.359 15.795 124 H ILE 353 HN ILE 353 23.450 -1.372 13.244 125 HA ILE 353 HA ILE 353 20.917 -2.682 12.548 126 HB ILE 353 HB ILE 353 22.069 0.036 11.904 127 HG12 ILE 353 HG12 ILE 353 19.431 -0.157 13.148 128 HG13 ILE 353 HG11 ILE 353 20.681 -0.931 14.123 129 HG21 ILE 353 HG21 ILE 353 20.815 -0.217 10.002 130 HG22 ILE 353 HG22 ILE 353 19.488 0.173 11.097 131 HG23 ILE 353 HG23 ILE 353 19.836 -1.509 10.697 132 HD11 ILE 353 HD11 ILE 353 20.805 1.892 13.020 133 HD12 ILE 353 HD12 ILE 353 22.052 1.117 13.996 134 HD13 ILE 353 HD13 ILE 353 20.471 1.461 14.697 135 H MET 354 HN MET 354 23.916 -1.513 11.111 136 HA MET 354 HA MET 354 23.385 -2.285 8.443 137 HB2 MET 354 HB2 MET 354 25.749 -1.905 8.059 138 HB3 MET 354 HB1 MET 354 25.116 -0.633 9.103 139 HG2 MET 354 HG2 MET 354 27.016 -1.213 10.293 140 HG3 MET 354 HG1 MET 354 25.851 -2.318 11.023 141 HE1 MET 354 HE1 MET 354 28.743 -4.734 11.026 142 HE2 MET 354 HE2 MET 354 27.367 -4.034 11.874 143 HE3 MET 354 HE3 MET 354 28.739 -3.016 11.446 144 H ALA 355 HN ALA 355 24.455 -4.011 11.233 145 HA ALA 355 HA ALA 355 25.613 -6.219 9.782 146 HB1 ALA 355 HB1 ALA 355 25.364 -5.365 12.550 147 HB2 ALA 355 HB2 ALA 355 26.570 -6.416 11.805 148 HB3 ALA 355 HB3 ALA 355 25.040 -7.091 12.365 149 H LEU 356 HN LEU 356 22.484 -5.184 10.429 150 HA LEU 356 HA LEU 356 21.414 -7.909 9.973 151 HG LEU 356 HG LEU 356 21.294 -4.883 11.924 152 HB2 LEU 356 HB2 LEU 356 19.383 -6.296 11.096 153 HB3 LEU 356 HB1 LEU 356 20.171 -7.692 11.828 154 HD11 LEU 356 HD11 LEU 356 20.470 -5.671 14.487 155 HD12 LEU 356 HD12 LEU 356 19.135 -6.125 13.427 156 HD13 LEU 356 HD13 LEU 356 19.701 -4.456 13.467 157 HD21 LEU 356 HD21 LEU 356 22.084 -6.629 14.066 158 HD22 LEU 356 HD22 LEU 356 23.099 -5.877 12.837 159 HD23 LEU 356 HD23 LEU 356 22.371 -7.453 12.534 160 H ILE 357 HN ILE 357 21.641 -4.657 8.994 161 HA ILE 357 HA ILE 357 19.419 -3.887 7.739 162 HB ILE 357 HB ILE 357 22.278 -3.737 7.029 163 HG12 ILE 357 HG12 ILE 357 21.079 -2.010 8.352 164 HG13 ILE 357 HG11 ILE 357 21.775 -1.346 6.882 165 HG21 ILE 357 HG21 ILE 357 21.748 -2.607 4.826 166 HG22 ILE 357 HG22 ILE 357 20.149 -3.337 4.916 167 HG23 ILE 357 HG23 ILE 357 21.587 -4.361 4.827 168 HD11 ILE 357 HD11 ILE 357 19.736 -0.545 6.376 169 HD12 ILE 357 HD12 ILE 357 19.015 -1.407 7.732 170 HD13 ILE 357 HD13 ILE 357 19.178 -2.204 6.172 171 H ALA 358 HN ALA 358 21.597 -6.369 6.427 172 HA ALA 358 HA ALA 358 19.678 -6.991 4.313 173 HB1 ALA 358 HB1 ALA 358 21.386 -8.251 3.313 174 HB2 ALA 358 HB2 ALA 358 22.238 -8.478 4.840 175 HB3 ALA 358 HB3 ALA 358 22.248 -6.902 4.051 176 H SER 359 HN SER 359 20.597 -8.105 7.435 177 HA SER 359 HA SER 359 19.426 -10.753 7.051 178 HG SER 359 HG SER 359 19.871 -8.872 10.011 179 HB2 SER 359 HB2 SER 359 20.611 -11.360 8.878 180 HB3 SER 359 HB1 SER 359 21.468 -9.839 8.638 181 H GLY 360 HN GLY 360 18.195 -7.769 7.475 182 HA2 GLY 360 HA2 GLY 360 15.841 -8.814 8.919 183 HA3 GLY 360 HA1 GLY 360 16.536 -7.262 9.372 184 H VAL 361 HN VAL 361 16.091 -8.650 6.133 185 HA VAL 361 HA VAL 361 13.801 -7.102 5.484 186 HB VAL 361 HB VAL 361 15.595 -5.322 5.640 187 HG11 VAL 361 HG11 VAL 361 17.351 -6.857 4.595 188 HG12 VAL 361 HG12 VAL 361 17.291 -5.211 3.966 189 HG13 VAL 361 HG13 VAL 361 16.572 -6.532 3.046 190 HG21 VAL 361 HG21 VAL 361 13.557 -4.941 4.357 191 HG22 VAL 361 HG22 VAL 361 14.219 -5.826 2.982 192 HG23 VAL 361 HG23 VAL 361 14.926 -4.283 3.460 193 H VAL 362 HN VAL 362 16.769 -8.573 4.200 194 HA VAL 362 HA VAL 362 17.129 -9.793 2.267 195 HB VAL 362 HB VAL 362 14.558 -11.034 3.274 196 HG11 VAL 362 HG11 VAL 362 16.443 -11.700 1.103 197 HG12 VAL 362 HG12 VAL 362 14.781 -12.233 1.353 198 HG13 VAL 362 HG13 VAL 362 16.101 -13.036 2.203 199 HG21 VAL 362 HG21 VAL 362 17.064 -10.787 4.519 200 HG22 VAL 362 HG22 VAL 362 17.038 -12.425 3.867 201 HG23 VAL 362 HG23 VAL 362 15.768 -11.894 4.971 202 H MET 363 HN MET 363 15.308 -7.354 2.054 203 HA MET 363 HA MET 363 13.876 -6.376 0.527 204 HB2 MET 363 HB2 MET 363 15.032 -8.077 -1.625 205 HB3 MET 363 HB1 MET 363 14.818 -6.327 -1.563 206 HG2 MET 363 HG2 MET 363 16.621 -6.371 0.293 207 HG3 MET 363 HG1 MET 363 16.982 -7.997 -0.288 208 HE1 MET 363 HE1 MET 363 18.991 -6.295 -0.007 209 HE2 MET 363 HE2 MET 363 18.770 -4.684 -0.682 210 HE3 MET 363 HE3 MET 363 19.848 -5.824 -1.481 211 H ARG 364 HN ARG 364 13.118 -7.677 -2.030 212 HA ARG 364 HA ARG 364 11.371 -9.854 -1.125 213 HE ARG 364 HE ARG 364 7.576 -11.023 -0.957 214 HB2 ARG 364 HB2 ARG 364 10.225 -7.540 -0.958 215 HB3 ARG 364 HB1 ARG 364 10.205 -7.585 -2.722 216 HG2 ARG 364 HG2 ARG 364 8.228 -8.681 -2.411 217 HG3 ARG 364 HG1 ARG 364 9.275 -10.078 -2.157 218 HD2 ARG 364 HD2 ARG 364 9.344 -9.306 0.318 219 HD3 ARG 364 HD1 ARG 364 7.936 -8.333 -0.097 220 HH11 ARG 364 HH21 ARG 364 7.656 -8.984 1.837 221 HH12 ARG 364 HH22 ARG 364 6.573 -9.972 2.760 222 HH21 ARG 364 HH11 ARG 364 6.153 -12.323 0.247 223 HH22 ARG 364 HH12 ARG 364 5.722 -11.862 1.859 224 HA PRO 365 HA PRO 365 13.050 -10.495 -5.374 225 HB2 PRO 365 HB2 PRO 365 14.457 -12.756 -4.873 226 HB3 PRO 365 HB1 PRO 365 15.114 -11.140 -4.558 227 HG2 PRO 365 HG2 PRO 365 14.050 -13.148 -2.662 228 HG3 PRO 365 HG1 PRO 365 15.333 -11.952 -2.441 229 HD2 PRO 365 HD2 PRO 365 12.687 -11.720 -1.529 230 HD3 PRO 365 HD1 PRO 365 13.875 -10.402 -1.630 231 H LYS 366 HN LYS 366 11.802 -12.907 -3.082 232 HA LYS 366 HA LYS 366 10.304 -14.631 -3.321 233 HB2 LYS 366 HB2 LYS 366 9.394 -13.188 -5.817 234 HB3 LYS 366 HB1 LYS 366 8.456 -14.291 -4.808 235 HG2 LYS 366 HG2 LYS 366 8.609 -12.710 -2.923 236 HG3 LYS 366 HG1 LYS 366 9.556 -11.606 -3.921 237 HD2 LYS 366 HD2 LYS 366 7.031 -12.466 -5.168 238 HD3 LYS 366 HD1 LYS 366 6.816 -11.537 -3.684 239 HE2 LYS 366 HE2 LYS 366 6.915 -10.069 -5.685 240 HE3 LYS 366 HE1 LYS 366 8.240 -9.747 -4.566 241 HZ1 LYS 366 HZ1 LYS 366 8.448 -11.537 -6.923 242 HZ2 LYS 366 HZ2 LYS 366 9.712 -11.039 -5.904 243 HZ3 LYS 366 HZ3 LYS 366 8.938 -9.914 -6.916 244 H LYS 367 HN LYS 367 12.926 -14.903 -4.487 245 HA LYS 367 HA LYS 367 14.115 -16.227 -5.948 246 HB2 LYS 367 HB2 LYS 367 11.563 -17.819 -5.630 247 HB3 LYS 367 HB1 LYS 367 13.004 -18.436 -6.438 248 HG2 LYS 367 HG2 LYS 367 14.063 -18.815 -4.479 249 HG3 LYS 367 HG1 LYS 367 13.614 -17.230 -3.846 250 HD2 LYS 367 HD2 LYS 367 12.606 -19.037 -2.497 251 HD3 LYS 367 HD1 LYS 367 11.363 -18.080 -3.302 252 HE2 LYS 367 HE2 LYS 367 12.296 -20.293 -4.963 253 HE3 LYS 367 HE1 LYS 367 11.622 -20.847 -3.430 254 HZ1 LYS 367 HZ1 LYS 367 10.181 -18.779 -4.923 255 HZ2 LYS 367 HZ2 LYS 367 9.578 -20.002 -3.910 256 HZ3 LYS 367 HZ3 LYS 367 10.095 -20.376 -5.485 257 H1 ACE 336 HA2 ACE 336 35.504 8.961 -10.811 258 H2 ACE 336 HA3 ACE 336 35.157 10.639 -10.390 259 H3 ACE 336 HA1 ACE 336 34.163 9.340 -9.731 260 HN1 NH2 368 HN1 NH2 368 11.521 -17.659 -7.669 261 HN2 NH2 368 HN2 NH2 368 11.618 -16.695 -9.062 Start of MODEL 21 1 HA LYS 337 HA LYS 337 36.510 8.091 -4.720 2 H1 LYS 337 HN LYS 337 35.698 9.853 -6.806 3 HB2 LYS 337 HB2 LYS 337 37.061 9.617 -2.984 4 HB3 LYS 337 HB1 LYS 337 38.039 10.086 -4.372 5 HG2 LYS 337 HG2 LYS 337 35.509 11.422 -3.368 6 HG3 LYS 337 HG1 LYS 337 37.127 12.106 -3.447 7 HD2 LYS 337 HD2 LYS 337 36.998 11.742 -5.982 8 HD3 LYS 337 HD1 LYS 337 35.271 11.463 -5.743 9 HE2 LYS 337 HE2 LYS 337 35.704 13.765 -4.293 10 HE3 LYS 337 HE1 LYS 337 36.788 13.973 -5.668 11 HZ1 LYS 337 HZ1 LYS 337 33.991 14.218 -5.593 12 HZ2 LYS 337 HZ2 LYS 337 34.392 12.938 -6.636 13 HZ3 LYS 337 HZ3 LYS 337 35.040 14.487 -6.898 14 H SER 338 HN SER 338 34.177 9.022 -6.438 15 HA SER 338 HA SER 338 32.227 9.452 -4.251 16 HG SER 338 HG SER 338 30.330 10.156 -4.908 17 HB2 SER 338 HB2 SER 338 32.517 11.244 -6.092 18 HB3 SER 338 HB1 SER 338 31.697 10.092 -7.141 19 H TYR 339 HN TYR 339 32.621 6.966 -4.213 20 HA TYR 339 HA TYR 339 30.294 5.686 -5.006 21 HD1 TYR 339 HD1 TYR 339 33.940 5.561 -5.461 22 HD2 TYR 339 HD2 TYR 339 31.916 6.237 -9.189 23 HE1 TYR 339 HE1 TYR 339 35.998 6.539 -6.391 24 HE2 TYR 339 HE2 TYR 339 33.988 7.222 -10.126 25 HH TYR 339 HH TYR 339 36.031 8.211 -9.429 26 HB2 TYR 339 HB2 TYR 339 31.531 4.163 -6.825 27 HB3 TYR 339 HB1 TYR 339 30.671 5.632 -7.256 28 H MET 340 HN MET 340 32.890 3.645 -5.849 29 HA MET 340 HA MET 340 32.549 1.965 -3.605 30 HB2 MET 340 HB2 MET 340 34.406 0.704 -4.486 31 HB3 MET 340 HB1 MET 340 33.444 1.273 -5.851 32 HG2 MET 340 HG2 MET 340 35.170 3.366 -5.514 33 HG3 MET 340 HG1 MET 340 36.191 2.004 -5.052 34 HE1 MET 340 HE1 MET 340 34.941 4.084 -8.040 35 HE2 MET 340 HE2 MET 340 36.321 3.467 -8.941 36 HE3 MET 340 HE3 MET 340 36.541 4.033 -7.288 37 H ALA 341 HN ALA 341 33.966 4.936 -3.765 38 HA ALA 341 HA ALA 341 36.114 4.382 -1.857 39 HB1 ALA 341 HB1 ALA 341 35.250 7.013 -3.068 40 HB2 ALA 341 HB2 ALA 341 36.458 5.942 -3.778 41 HB3 ALA 341 HB3 ALA 341 36.754 6.688 -2.208 42 H TYR 342 HN TYR 342 32.921 5.821 -2.016 43 HA TYR 342 HA TYR 342 33.168 6.793 0.740 44 HD1 TYR 342 HD2 TYR 342 29.472 7.173 1.153 45 HD2 TYR 342 HD1 TYR 342 30.726 6.642 -2.917 46 HE1 TYR 342 HE2 TYR 342 27.246 6.241 0.590 47 HE2 TYR 342 HE1 TYR 342 28.502 5.707 -3.483 48 HH TYR 342 HH TYR 342 26.516 5.089 -2.708 49 HB2 TYR 342 HB2 TYR 342 31.504 8.273 0.262 50 HB3 TYR 342 HB1 TYR 342 32.036 7.971 -1.394 51 H LEU 343 HN LEU 343 31.056 4.640 -1.192 52 HA LEU 343 HA LEU 343 29.439 3.821 0.963 53 HG LEU 343 HG LEU 343 31.386 2.089 -1.503 54 HB2 LEU 343 HB2 LEU 343 28.590 2.147 -0.462 55 HB3 LEU 343 HB1 LEU 343 29.055 3.449 -1.549 56 HD11 LEU 343 HD11 LEU 343 31.192 -0.181 -1.158 57 HD12 LEU 343 HD12 LEU 343 29.499 -0.216 -1.644 58 HD13 LEU 343 HD13 LEU 343 29.941 0.341 -0.034 59 HD21 LEU 343 HD21 LEU 343 28.918 1.654 -3.193 60 HD22 LEU 343 HD22 LEU 343 30.468 0.915 -3.590 61 HD23 LEU 343 HD23 LEU 343 30.312 2.669 -3.551 62 H SER 344 HN SER 344 32.676 3.085 0.157 63 HA SER 344 HA SER 344 32.746 0.609 1.693 64 HG SER 344 HG SER 344 34.554 -0.612 1.135 65 HB2 SER 344 HB2 SER 344 34.116 1.033 -0.418 66 HB3 SER 344 HB1 SER 344 35.101 2.118 0.558 67 H ALA 345 HN ALA 345 32.575 3.760 2.483 68 HA ALA 345 HA ALA 345 34.333 3.468 4.848 69 HB1 ALA 345 HB1 ALA 345 34.390 5.966 4.868 70 HB2 ALA 345 HB2 ALA 345 33.511 5.958 3.339 71 HB3 ALA 345 HB3 ALA 345 35.129 5.262 3.430 72 H GLU 346 HN GLU 346 31.230 3.174 3.993 73 HA GLU 346 HA GLU 346 30.291 4.069 6.629 74 HB2 GLU 346 HB2 GLU 346 28.230 5.003 5.572 75 HB3 GLU 346 HB1 GLU 346 29.692 5.901 5.161 76 HG2 GLU 346 HG2 GLU 346 29.423 5.458 2.973 77 HG3 GLU 346 HG1 GLU 346 29.298 3.730 3.296 78 H LEU 347 HN LEU 347 30.575 1.644 6.765 79 HA LEU 347 HA LEU 347 28.008 0.380 6.120 80 HG LEU 347 HG LEU 347 31.431 -0.343 6.430 81 HB2 LEU 347 HB2 LEU 347 29.216 -1.690 5.397 82 HB3 LEU 347 HB1 LEU 347 29.435 -0.323 4.302 83 HD11 LEU 347 HD11 LEU 347 31.105 -2.786 6.268 84 HD12 LEU 347 HD12 LEU 347 32.672 -2.311 5.610 85 HD13 LEU 347 HD13 LEU 347 31.339 -2.700 4.522 86 HD21 LEU 347 HD21 LEU 347 32.934 -0.097 4.486 87 HD22 LEU 347 HD22 LEU 347 31.555 0.996 4.359 88 HD23 LEU 347 HD23 LEU 347 31.596 -0.487 3.404 89 H PHE 348 HN PHE 348 30.045 1.258 8.429 90 HA PHE 348 HA PHE 348 29.356 -1.028 10.165 91 HD1 PHE 348 HD1 PHE 348 31.857 1.195 8.113 92 HD2 PHE 348 HD2 PHE 348 32.797 0.697 12.274 93 HE1 PHE 348 HE1 PHE 348 33.178 3.278 8.057 94 HE2 PHE 348 HE2 PHE 348 34.128 2.788 12.219 95 HZ PHE 348 HZ PHE 348 34.320 4.080 10.112 96 HB2 PHE 348 HB2 PHE 348 31.547 -0.953 11.188 97 HB3 PHE 348 HB1 PHE 348 31.759 -1.129 9.446 98 H HIS 349 HN HIS 349 29.473 2.304 9.589 99 HA HIS 349 HA HIS 349 29.592 3.283 12.253 100 HD2 HIS 349 HD2 HIS 349 28.471 3.396 7.929 101 HE1 HIS 349 HE1 HIS 349 25.095 5.837 8.608 102 HE2 HIS 349 HE2 HIS 349 26.201 4.251 6.961 103 HB2 HIS 349 HB2 HIS 349 28.985 5.388 11.325 104 HB3 HIS 349 HB1 HIS 349 30.003 4.588 10.129 105 H LEU 350 HN LEU 350 27.466 1.183 11.229 106 HA LEU 350 HA LEU 350 25.121 2.462 12.465 107 HG LEU 350 HG LEU 350 26.543 -0.070 10.304 108 HB2 LEU 350 HB2 LEU 350 24.198 0.145 11.312 109 HB3 LEU 350 HB1 LEU 350 24.129 1.736 10.558 110 HD11 LEU 350 HD11 LEU 350 24.723 -1.345 9.385 111 HD12 LEU 350 HD12 LEU 350 25.579 -0.620 8.025 112 HD13 LEU 350 HD13 LEU 350 24.057 0.076 8.580 113 HD21 LEU 350 HD21 LEU 350 26.037 2.599 9.594 114 HD22 LEU 350 HD22 LEU 350 25.889 1.696 8.088 115 HD23 LEU 350 HD23 LEU 350 27.374 1.597 9.032 116 H SER 351 HN SER 351 26.239 -0.880 11.996 117 HA SER 351 HA SER 351 25.049 -2.084 14.122 118 HG SER 351 HG SER 351 25.997 -4.564 14.021 119 HB2 SER 351 HB2 SER 351 26.435 -3.236 12.412 120 HB3 SER 351 HB1 SER 351 27.880 -2.652 13.232 121 H GLY 352 HN GLY 352 24.918 -0.598 15.890 122 HA2 GLY 352 HA2 GLY 352 25.967 -0.882 18.190 123 HA3 GLY 352 HA1 GLY 352 27.434 -0.274 17.419 124 H ILE 353 HN ILE 353 26.375 1.604 15.746 125 HA ILE 353 HA ILE 353 25.611 3.712 17.630 126 HB ILE 353 HB ILE 353 26.626 3.736 14.787 127 HG12 ILE 353 HG12 ILE 353 28.097 5.163 16.882 128 HG13 ILE 353 HG11 ILE 353 27.958 3.432 17.198 129 HG21 ILE 353 HG21 ILE 353 25.434 5.698 14.737 130 HG22 ILE 353 HG22 ILE 353 26.851 6.300 15.599 131 HG23 ILE 353 HG23 ILE 353 25.401 5.844 16.494 132 HD11 ILE 353 HD11 ILE 353 28.832 2.937 14.953 133 HD12 ILE 353 HD12 ILE 353 29.973 3.935 15.854 134 HD13 ILE 353 HD13 ILE 353 28.955 4.664 14.612 135 H MET 354 HN MET 354 24.361 1.672 15.228 136 HA MET 354 HA MET 354 22.299 3.305 14.181 137 HB2 MET 354 HB2 MET 354 21.392 1.202 13.282 138 HB3 MET 354 HB1 MET 354 23.113 1.377 12.953 139 HG2 MET 354 HG2 MET 354 23.138 -0.775 13.767 140 HG3 MET 354 HG1 MET 354 23.288 0.086 15.297 141 HE1 MET 354 HE1 MET 354 21.386 -2.385 13.223 142 HE2 MET 354 HE2 MET 354 20.502 -3.094 14.573 143 HE3 MET 354 HE3 MET 354 22.248 -2.881 14.686 144 H ALA 355 HN ALA 355 22.464 0.856 16.706 145 HA ALA 355 HA ALA 355 19.727 0.718 17.338 146 HB1 ALA 355 HB1 ALA 355 21.165 0.252 19.706 147 HB2 ALA 355 HB2 ALA 355 22.223 -0.283 18.399 148 HB3 ALA 355 HB3 ALA 355 20.599 -0.956 18.552 149 H LEU 356 HN LEU 356 22.051 3.142 17.851 150 HA LEU 356 HA LEU 356 20.232 4.515 19.729 151 HG LEU 356 HG LEU 356 23.529 4.076 18.562 152 HB2 LEU 356 HB2 LEU 356 22.230 5.629 20.700 153 HB3 LEU 356 HB1 LEU 356 22.217 3.886 20.964 154 HD11 LEU 356 HD11 LEU 356 23.595 6.544 18.743 155 HD12 LEU 356 HD12 LEU 356 25.215 5.853 18.832 156 HD13 LEU 356 HD13 LEU 356 24.409 6.401 20.301 157 HD21 LEU 356 HD21 LEU 356 25.595 3.728 19.972 158 HD22 LEU 356 HD22 LEU 356 24.246 2.676 20.403 159 HD23 LEU 356 HD23 LEU 356 24.613 4.090 21.392 160 H ILE 357 HN ILE 357 21.516 4.486 16.656 161 HA ILE 357 HA ILE 357 22.346 6.966 15.921 162 HB ILE 357 HB ILE 357 20.739 4.896 14.646 163 HG12 ILE 357 HG12 ILE 357 22.604 6.977 13.466 164 HG13 ILE 357 HG11 ILE 357 23.157 5.486 14.217 165 HG21 ILE 357 HG21 ILE 357 19.031 6.608 14.342 166 HG22 ILE 357 HG22 ILE 357 19.852 6.346 12.812 167 HG23 ILE 357 HG23 ILE 357 20.245 7.764 13.776 168 HD11 ILE 357 HD11 ILE 357 22.893 4.456 12.236 169 HD12 ILE 357 HD12 ILE 357 22.159 5.900 11.541 170 HD13 ILE 357 HD13 ILE 357 21.154 4.719 12.379 171 H ALA 358 HN ALA 358 19.073 6.057 16.825 172 HA ALA 358 HA ALA 358 18.150 8.832 16.593 173 HB1 ALA 358 HB1 ALA 358 16.400 6.664 17.648 174 HB2 ALA 358 HB2 ALA 358 16.876 6.585 15.950 175 HB3 ALA 358 HB3 ALA 358 16.011 7.997 16.561 176 H SER 359 HN SER 359 19.118 6.515 18.995 177 HA SER 359 HA SER 359 17.969 8.047 21.193 178 HG SER 359 HG SER 359 17.964 7.159 22.936 179 HB2 SER 359 HB2 SER 359 18.386 5.408 20.933 180 HB3 SER 359 HB1 SER 359 19.905 5.853 21.706 181 H GLY 360 HN GLY 360 20.572 8.479 19.272 182 HA2 GLY 360 HA2 GLY 360 22.047 9.879 21.407 183 HA3 GLY 360 HA1 GLY 360 22.916 8.808 20.313 184 H VAL 361 HN VAL 361 20.300 11.153 19.724 185 HA VAL 361 HA VAL 361 21.977 13.083 18.478 186 HB VAL 361 HB VAL 361 21.835 11.056 16.824 187 HG11 VAL 361 HG11 VAL 361 19.247 11.123 17.129 188 HG12 VAL 361 HG12 VAL 361 19.895 10.901 15.503 189 HG13 VAL 361 HG13 VAL 361 19.311 12.486 16.011 190 HG21 VAL 361 HG21 VAL 361 22.827 13.236 16.278 191 HG22 VAL 361 HG22 VAL 361 21.223 13.915 16.003 192 HG23 VAL 361 HG23 VAL 361 21.849 12.666 14.927 193 H VAL 362 HN VAL 362 19.052 11.932 19.651 194 HA VAL 362 HA VAL 362 17.293 13.886 18.496 195 HB VAL 362 HB VAL 362 16.761 11.573 19.626 196 HG11 VAL 362 HG11 VAL 362 16.288 11.621 21.932 197 HG12 VAL 362 HG12 VAL 362 16.284 13.383 21.988 198 HG13 VAL 362 HG13 VAL 362 17.806 12.509 21.814 199 HG21 VAL 362 HG21 VAL 362 15.077 14.064 20.040 200 HG22 VAL 362 HG22 VAL 362 14.472 12.408 20.116 201 HG23 VAL 362 HG23 VAL 362 15.091 13.052 18.595 202 H MET 363 HN MET 363 19.714 14.039 20.799 203 HA MET 363 HA MET 363 18.945 15.601 22.871 204 HB2 MET 363 HB2 MET 363 21.363 16.011 21.104 205 HB3 MET 363 HB1 MET 363 21.154 16.740 22.696 206 HG2 MET 363 HG2 MET 363 21.068 14.564 23.752 207 HG3 MET 363 HG1 MET 363 21.039 13.755 22.185 208 HE1 MET 363 HE1 MET 363 22.962 13.407 24.770 209 HE2 MET 363 HE2 MET 363 23.078 15.144 25.033 210 HE3 MET 363 HE3 MET 363 24.532 14.216 24.677 211 H ARG 364 HN ARG 364 20.648 17.566 20.586 212 HA ARG 364 HA ARG 364 18.298 19.319 20.275 213 HE ARG 364 HE ARG 364 21.345 21.878 22.806 214 HB2 ARG 364 HB2 ARG 364 19.856 21.265 20.532 215 HB3 ARG 364 HB1 ARG 364 19.649 20.318 22.006 216 HG2 ARG 364 HG2 ARG 364 21.784 19.159 20.495 217 HG3 ARG 364 HG1 ARG 364 22.074 20.894 20.618 218 HD2 ARG 364 HD2 ARG 364 21.455 19.057 22.948 219 HD3 ARG 364 HD1 ARG 364 23.053 19.674 22.536 220 HH11 ARG 364 HH21 ARG 364 22.647 19.285 24.691 221 HH12 ARG 364 HH22 ARG 364 22.632 20.175 26.177 222 HH21 ARG 364 HH11 ARG 364 21.322 23.051 24.752 223 HH22 ARG 364 HH12 ARG 364 21.882 22.306 26.211 224 HA PRO 365 HA PRO 365 20.728 18.341 16.313 225 HB2 PRO 365 HB2 PRO 365 18.575 17.214 14.998 226 HB3 PRO 365 HB1 PRO 365 19.792 16.288 15.901 227 HG2 PRO 365 HG2 PRO 365 17.066 17.150 16.734 228 HG3 PRO 365 HG1 PRO 365 17.911 15.622 17.039 229 HD2 PRO 365 HD2 PRO 365 17.690 17.540 18.933 230 HD3 PRO 365 HD1 PRO 365 19.123 16.493 18.820 231 H LYS 366 HN LYS 366 17.323 19.319 16.704 232 HA LYS 366 HA LYS 366 16.079 20.982 15.721 233 HB2 LYS 366 HB2 LYS 366 18.824 22.251 15.708 234 HB3 LYS 366 HB1 LYS 366 17.351 23.115 15.266 235 HG2 LYS 366 HG2 LYS 366 16.384 22.625 17.474 236 HG3 LYS 366 HG1 LYS 366 17.837 21.731 17.921 237 HD2 LYS 366 HD2 LYS 366 18.171 24.537 16.946 238 HD3 LYS 366 HD1 LYS 366 17.541 24.299 18.577 239 HE2 LYS 366 HE2 LYS 366 19.487 23.243 19.319 240 HE3 LYS 366 HE1 LYS 366 19.970 22.770 17.691 241 HZ1 LYS 366 HZ1 LYS 366 19.800 25.616 18.443 242 HZ2 LYS 366 HZ2 LYS 366 20.701 24.892 17.197 243 HZ3 LYS 366 HZ3 LYS 366 21.183 24.710 18.817 244 H LYS 367 HN LYS 367 17.943 19.024 14.037 245 HA LYS 367 HA LYS 367 18.460 18.686 11.805 246 HB2 LYS 367 HB2 LYS 367 15.655 19.802 11.768 247 HB3 LYS 367 HB1 LYS 367 16.441 19.160 10.326 248 HG2 LYS 367 HG2 LYS 367 16.446 16.986 11.123 249 HG3 LYS 367 HG1 LYS 367 16.471 17.495 12.812 250 HD2 LYS 367 HD2 LYS 367 14.151 18.099 12.758 251 HD3 LYS 367 HD1 LYS 367 14.085 17.930 11.003 252 HE2 LYS 367 HE2 LYS 367 13.784 15.690 11.123 253 HE3 LYS 367 HE1 LYS 367 15.041 15.508 12.347 254 HZ1 LYS 367 HZ1 LYS 367 12.753 14.945 13.108 255 HZ2 LYS 367 HZ2 LYS 367 12.337 16.582 12.922 256 HZ3 LYS 367 HZ3 LYS 367 13.529 16.127 14.045 257 H1 ACE 336 HA2 ACE 336 38.207 8.844 -8.882 258 H2 ACE 336 HA3 ACE 336 38.295 10.540 -8.407 259 H3 ACE 336 HA1 ACE 336 36.729 9.798 -8.738 260 HN1 NH2 368 HN1 NH2 368 20.153 20.505 11.909 261 HN2 NH2 368 HN2 NH2 368 19.889 21.868 10.932 Start of MODEL 22 1 HA LYS 337 HA LYS 337 36.918 8.634 -6.113 2 H1 LYS 337 HN LYS 337 34.919 9.055 -7.960 3 HB2 LYS 337 HB2 LYS 337 36.881 10.887 -4.890 4 HB3 LYS 337 HB1 LYS 337 37.872 10.793 -6.334 5 HG2 LYS 337 HG2 LYS 337 36.764 12.714 -6.893 6 HG3 LYS 337 HG1 LYS 337 35.493 11.619 -7.416 7 HD2 LYS 337 HD2 LYS 337 34.624 11.740 -4.997 8 HD3 LYS 337 HD1 LYS 337 35.694 13.131 -4.817 9 HE2 LYS 337 HE2 LYS 337 34.592 14.242 -6.711 10 HE3 LYS 337 HE1 LYS 337 33.544 12.840 -6.936 11 HZ1 LYS 337 HZ1 LYS 337 32.224 13.500 -5.293 12 HZ2 LYS 337 HZ2 LYS 337 33.031 14.994 -5.343 13 HZ3 LYS 337 HZ3 LYS 337 33.522 13.797 -4.242 14 H SER 338 HN SER 338 33.734 9.673 -6.878 15 HA SER 338 HA SER 338 32.833 9.225 -4.106 16 HG SER 338 HG SER 338 30.545 11.076 -3.910 17 HB2 SER 338 HB2 SER 338 32.189 11.382 -5.142 18 HB3 SER 338 HB1 SER 338 31.361 10.502 -6.424 19 H TYR 339 HN TYR 339 32.721 7.013 -4.036 20 HA TYR 339 HA TYR 339 30.406 5.740 -4.869 21 HD1 TYR 339 HD1 TYR 339 34.045 5.663 -5.174 22 HD2 TYR 339 HD2 TYR 339 32.266 6.027 -9.068 23 HE1 TYR 339 HE1 TYR 339 36.187 6.447 -6.063 24 HE2 TYR 339 HE2 TYR 339 34.433 6.824 -9.967 25 HH TYR 339 HH TYR 339 37.326 7.002 -7.895 26 HB2 TYR 339 HB2 TYR 339 31.617 4.209 -6.652 27 HB3 TYR 339 HB1 TYR 339 30.871 5.726 -7.121 28 H MET 340 HN MET 340 33.050 3.768 -5.675 29 HA MET 340 HA MET 340 32.717 1.984 -3.522 30 HB2 MET 340 HB2 MET 340 34.742 0.911 -4.370 31 HB3 MET 340 HB1 MET 340 33.696 1.372 -5.713 32 HG2 MET 340 HG2 MET 340 35.178 3.642 -5.467 33 HG3 MET 340 HG1 MET 340 36.355 2.440 -4.939 34 HE1 MET 340 HE1 MET 340 34.832 4.179 -8.036 35 HE2 MET 340 HE2 MET 340 33.577 3.155 -7.356 36 HE3 MET 340 HE3 MET 340 34.218 2.802 -8.956 37 H ALA 341 HN ALA 341 34.097 5.010 -3.526 38 HA ALA 341 HA ALA 341 36.155 4.407 -1.538 39 HB1 ALA 341 HB1 ALA 341 35.343 7.010 -2.843 40 HB2 ALA 341 HB2 ALA 341 36.688 5.982 -3.340 41 HB3 ALA 341 HB3 ALA 341 36.728 6.790 -1.772 42 H TYR 342 HN TYR 342 32.970 5.839 -1.791 43 HA TYR 342 HA TYR 342 33.123 6.790 0.977 44 HD1 TYR 342 HD2 TYR 342 29.428 7.124 1.283 45 HD2 TYR 342 HD1 TYR 342 30.792 6.672 -2.763 46 HE1 TYR 342 HE2 TYR 342 27.226 6.183 0.647 47 HE2 TYR 342 HE1 TYR 342 28.591 5.729 -3.401 48 HH TYR 342 HH TYR 342 25.876 5.742 -1.186 49 HB2 TYR 342 HB2 TYR 342 31.472 8.265 0.453 50 HB3 TYR 342 HB1 TYR 342 32.057 7.971 -1.188 51 H LEU 343 HN LEU 343 31.088 4.636 -1.034 52 HA LEU 343 HA LEU 343 29.397 3.801 1.056 53 HG LEU 343 HG LEU 343 31.458 2.052 -1.308 54 HB2 LEU 343 HB2 LEU 343 28.617 2.123 -0.400 55 HB3 LEU 343 HB1 LEU 343 29.130 3.419 -1.474 56 HD11 LEU 343 HD11 LEU 343 29.963 0.322 0.105 57 HD12 LEU 343 HD12 LEU 343 31.220 -0.228 -0.997 58 HD13 LEU 343 HD13 LEU 343 29.535 -0.229 -1.513 59 HD21 LEU 343 HD21 LEU 343 30.470 2.642 -3.404 60 HD22 LEU 343 HD22 LEU 343 29.076 1.607 -3.118 61 HD23 LEU 343 HD23 LEU 343 30.655 0.891 -3.436 62 H SER 344 HN SER 344 32.672 3.082 0.379 63 HA SER 344 HA SER 344 32.704 0.611 1.917 64 HG SER 344 HG SER 344 34.487 -0.569 1.479 65 HB2 SER 344 HB2 SER 344 34.183 1.115 -0.123 66 HB3 SER 344 HB1 SER 344 35.111 2.151 0.957 67 H ALA 345 HN ALA 345 32.456 3.766 2.686 68 HA ALA 345 HA ALA 345 34.025 3.471 5.181 69 HB1 ALA 345 HB1 ALA 345 33.383 5.980 3.614 70 HB2 ALA 345 HB2 ALA 345 34.969 5.228 3.781 71 HB3 ALA 345 HB3 ALA 345 34.184 5.950 5.185 72 H GLU 346 HN GLU 346 31.130 2.855 4.372 73 HA GLU 346 HA GLU 346 29.941 3.948 6.788 74 HB2 GLU 346 HB2 GLU 346 27.947 4.817 5.528 75 HB3 GLU 346 HB1 GLU 346 29.423 5.751 5.277 76 HG2 GLU 346 HG2 GLU 346 29.451 5.276 3.074 77 HG3 GLU 346 HG1 GLU 346 29.217 3.555 3.380 78 H LEU 347 HN LEU 347 30.411 1.428 6.717 79 HA LEU 347 HA LEU 347 27.821 0.182 6.121 80 HG LEU 347 HG LEU 347 31.250 -0.546 6.329 81 HB2 LEU 347 HB2 LEU 347 28.997 -1.853 5.289 82 HB3 LEU 347 HB1 LEU 347 29.229 -0.447 4.250 83 HD11 LEU 347 HD11 LEU 347 31.084 -2.909 4.437 84 HD12 LEU 347 HD12 LEU 347 30.857 -2.983 6.184 85 HD13 LEU 347 HD13 LEU 347 32.431 -2.548 5.517 86 HD21 LEU 347 HD21 LEU 347 32.730 -0.351 4.361 87 HD22 LEU 347 HD22 LEU 347 31.380 0.778 4.252 88 HD23 LEU 347 HD23 LEU 347 31.364 -0.710 3.304 89 H PHE 348 HN PHE 348 29.883 1.021 8.395 90 HA PHE 348 HA PHE 348 29.190 -1.255 10.132 91 HD1 PHE 348 HD1 PHE 348 31.738 0.892 8.049 92 HD2 PHE 348 HD2 PHE 348 32.782 0.220 12.159 93 HE1 PHE 348 HE1 PHE 348 33.159 2.907 8.006 94 HE2 PHE 348 HE2 PHE 348 34.215 2.243 12.120 95 HZ PHE 348 HZ PHE 348 34.407 3.588 10.045 96 HB2 PHE 348 HB2 PHE 348 31.411 -1.328 11.066 97 HB3 PHE 348 HB1 PHE 348 31.568 -1.465 9.315 98 H HIS 349 HN HIS 349 29.773 2.095 9.598 99 HA HIS 349 HA HIS 349 29.941 3.064 12.223 100 HD2 HIS 349 HD2 HIS 349 28.411 2.498 8.474 101 HE1 HIS 349 HE1 HIS 349 26.130 5.981 7.778 102 HE2 HIS 349 HE2 HIS 349 26.579 3.611 6.985 103 HB2 HIS 349 HB2 HIS 349 29.255 5.205 11.281 104 HB3 HIS 349 HB1 HIS 349 30.394 4.407 10.196 105 H LEU 350 HN LEU 350 27.391 1.466 10.705 106 HA LEU 350 HA LEU 350 25.505 2.424 12.772 107 HG LEU 350 HG LEU 350 25.908 3.998 10.279 108 HB2 LEU 350 HB2 LEU 350 24.871 1.761 9.886 109 HB3 LEU 350 HB1 LEU 350 23.674 2.127 11.127 110 HD11 LEU 350 HD11 LEU 350 24.216 3.658 8.500 111 HD12 LEU 350 HD12 LEU 350 24.138 5.288 9.168 112 HD13 LEU 350 HD13 LEU 350 22.942 4.081 9.645 113 HD21 LEU 350 HD21 LEU 350 24.135 5.584 11.495 114 HD22 LEU 350 HD22 LEU 350 25.381 4.737 12.409 115 HD23 LEU 350 HD23 LEU 350 23.743 4.092 12.346 116 H SER 351 HN SER 351 27.002 0.324 13.409 117 HA SER 351 HA SER 351 26.294 -2.219 12.543 118 HG SER 351 HG SER 351 26.944 -3.897 14.589 119 HB2 SER 351 HB2 SER 351 28.107 -2.134 14.026 120 HB3 SER 351 HB1 SER 351 27.229 -1.150 15.193 121 H GLY 352 HN GLY 352 24.193 -2.689 12.183 122 HA2 GLY 352 HA2 GLY 352 22.434 -3.804 13.746 123 HA3 GLY 352 HA1 GLY 352 22.214 -2.141 14.291 124 H ILE 353 HN ILE 353 22.430 -0.709 12.002 125 HA ILE 353 HA ILE 353 19.973 -1.437 10.598 126 HB ILE 353 HB ILE 353 21.688 1.055 10.488 127 HG12 ILE 353 HG12 ILE 353 18.941 1.259 11.472 128 HG13 ILE 353 HG11 ILE 353 19.923 0.174 12.457 129 HG21 ILE 353 HG21 ILE 353 20.619 1.148 8.441 130 HG22 ILE 353 HG22 ILE 353 19.351 1.835 9.457 131 HG23 ILE 353 HG23 ILE 353 19.276 0.139 8.979 132 HD11 ILE 353 HD11 ILE 353 21.623 1.907 12.735 133 HD12 ILE 353 HD12 ILE 353 20.054 2.541 13.232 134 HD13 ILE 353 HD13 ILE 353 20.730 2.988 11.666 135 H MET 354 HN MET 354 23.396 -0.890 10.015 136 HA MET 354 HA MET 354 23.292 -1.229 7.180 137 HB2 MET 354 HB2 MET 354 25.713 -1.279 7.295 138 HB3 MET 354 HB1 MET 354 25.110 -0.007 8.359 139 HG2 MET 354 HG2 MET 354 26.618 -1.069 9.776 140 HG3 MET 354 HG1 MET 354 25.133 -1.939 10.164 141 HE1 MET 354 HE1 MET 354 26.436 -4.071 11.109 142 HE2 MET 354 HE2 MET 354 27.805 -2.979 10.918 143 HE3 MET 354 HE3 MET 354 27.925 -4.639 10.343 144 H ALA 355 HN ALA 355 23.399 -3.350 9.886 145 HA ALA 355 HA ALA 355 24.458 -5.626 8.461 146 HB1 ALA 355 HB1 ALA 355 23.071 -6.457 10.790 147 HB2 ALA 355 HB2 ALA 355 23.880 -4.940 11.184 148 HB3 ALA 355 HB3 ALA 355 24.814 -6.302 10.566 149 H LEU 356 HN LEU 356 21.511 -4.041 8.510 150 HA LEU 356 HA LEU 356 20.149 -6.445 7.466 151 HG LEU 356 HG LEU 356 19.883 -3.494 9.523 152 HB2 LEU 356 HB2 LEU 356 18.063 -5.693 8.530 153 HB3 LEU 356 HB1 LEU 356 19.317 -5.987 9.726 154 HD11 LEU 356 HD11 LEU 356 17.426 -2.386 9.015 155 HD12 LEU 356 HD12 LEU 356 17.486 -3.655 7.796 156 HD13 LEU 356 HD13 LEU 356 18.752 -2.434 7.858 157 HD21 LEU 356 HD21 LEU 356 17.205 -4.312 10.686 158 HD22 LEU 356 HD22 LEU 356 18.151 -2.904 11.169 159 HD23 LEU 356 HD23 LEU 356 18.768 -4.527 11.475 160 H ILE 357 HN ILE 357 21.217 -3.324 6.957 161 HA ILE 357 HA ILE 357 19.369 -1.914 5.584 162 HB ILE 357 HB ILE 357 22.275 -2.257 5.372 163 HG12 ILE 357 HG12 ILE 357 21.212 -0.375 6.553 164 HG13 ILE 357 HG11 ILE 357 22.220 0.204 5.235 165 HG21 ILE 357 HG21 ILE 357 20.741 -1.356 2.919 166 HG22 ILE 357 HG22 ILE 357 21.912 -2.677 3.029 167 HG23 ILE 357 HG23 ILE 357 22.445 -1.008 3.196 168 HD11 ILE 357 HD11 ILE 357 19.364 0.525 5.655 169 HD12 ILE 357 HD12 ILE 357 19.697 -0.176 4.074 170 HD13 ILE 357 HD13 ILE 357 20.424 1.365 4.526 171 H ALA 358 HN ALA 358 21.136 -4.723 4.377 172 HA ALA 358 HA ALA 358 19.590 -4.722 1.893 173 HB1 ALA 358 HB1 ALA 358 21.701 -6.675 2.840 174 HB2 ALA 358 HB2 ALA 358 22.031 -5.230 1.884 175 HB3 ALA 358 HB3 ALA 358 21.053 -6.532 1.206 176 H SER 359 HN SER 359 19.582 -6.224 4.999 177 HA SER 359 HA SER 359 17.907 -8.451 4.122 178 HG SER 359 HG SER 359 18.730 -10.170 5.294 179 HB2 SER 359 HB2 SER 359 19.767 -8.302 6.077 180 HB3 SER 359 HB1 SER 359 18.318 -7.941 7.012 181 H GLY 360 HN GLY 360 17.381 -5.278 4.710 182 HA2 GLY 360 HA2 GLY 360 14.562 -5.752 5.338 183 HA3 GLY 360 HA1 GLY 360 15.460 -4.715 6.441 184 H VAL 361 HN VAL 361 15.025 -5.103 2.916 185 HA VAL 361 HA VAL 361 13.971 -2.490 2.564 186 HB VAL 361 HB VAL 361 16.539 -2.195 3.042 187 HG11 VAL 361 HG11 VAL 361 16.652 -2.655 0.065 188 HG12 VAL 361 HG12 VAL 361 16.988 -3.969 1.193 189 HG13 VAL 361 HG13 VAL 361 17.985 -2.514 1.210 190 HG21 VAL 361 HG21 VAL 361 14.963 -0.933 0.786 191 HG22 VAL 361 HG22 VAL 361 16.538 -0.326 1.297 192 HG23 VAL 361 HG23 VAL 361 15.183 -0.322 2.425 193 H VAL 362 HN VAL 362 14.912 -5.545 1.510 194 HA VAL 362 HA VAL 362 14.782 -5.237 -1.305 195 HB VAL 362 HB VAL 362 14.175 -7.659 0.408 196 HG11 VAL 362 HG11 VAL 362 14.037 -7.164 -2.460 197 HG12 VAL 362 HG12 VAL 362 13.519 -8.580 -1.546 198 HG13 VAL 362 HG13 VAL 362 15.194 -8.437 -2.076 199 HG21 VAL 362 HG21 VAL 362 16.488 -6.500 0.535 200 HG22 VAL 362 HG22 VAL 362 16.709 -7.062 -1.122 201 HG23 VAL 362 HG23 VAL 362 16.463 -8.227 0.178 202 H MET 363 HN MET 363 12.535 -7.579 -0.343 203 HA MET 363 HA MET 363 10.249 -7.773 -0.538 204 HB2 MET 363 HB2 MET 363 9.938 -4.805 -0.653 205 HB3 MET 363 HB1 MET 363 8.886 -6.008 0.089 206 HG2 MET 363 HG2 MET 363 11.124 -6.404 1.560 207 HG3 MET 363 HG1 MET 363 11.315 -4.692 1.185 208 HE1 MET 363 HE1 MET 363 9.402 -7.465 2.841 209 HE2 MET 363 HE2 MET 363 8.743 -6.633 4.248 210 HE3 MET 363 HE3 MET 363 10.483 -6.641 3.972 211 H ARG 364 HN ARG 364 12.190 -6.071 -2.703 212 HA ARG 364 HA ARG 364 10.118 -6.314 -4.786 213 HE ARG 364 HE ARG 364 14.524 -1.721 -4.789 214 HB2 ARG 364 HB2 ARG 364 11.159 -4.354 -5.883 215 HB3 ARG 364 HB1 ARG 364 10.492 -3.976 -4.295 216 HG2 ARG 364 HG2 ARG 364 12.508 -3.336 -3.535 217 HG3 ARG 364 HG1 ARG 364 13.227 -4.869 -4.027 218 HD2 ARG 364 HD2 ARG 364 13.609 -4.051 -6.264 219 HD3 ARG 364 HD1 ARG 364 12.685 -2.587 -5.940 220 HH11 ARG 364 HH21 ARG 364 14.934 -5.068 -5.564 221 HH12 ARG 364 HH22 ARG 364 16.612 -5.103 -5.138 222 HH21 ARG 364 HH11 ARG 364 16.725 -1.760 -4.228 223 HH22 ARG 364 HH12 ARG 364 17.627 -3.230 -4.381 224 HA PRO 365 HA PRO 365 14.137 -8.691 -5.696 225 HB2 PRO 365 HB2 PRO 365 12.889 -11.147 -5.931 226 HB3 PRO 365 HB1 PRO 365 13.666 -10.558 -4.450 227 HG2 PRO 365 HG2 PRO 365 10.784 -10.568 -5.200 228 HG3 PRO 365 HG1 PRO 365 11.545 -10.899 -3.633 229 HD2 PRO 365 HD2 PRO 365 10.348 -8.535 -4.168 230 HD3 PRO 365 HD1 PRO 365 11.780 -8.644 -3.121 231 H LYS 366 HN LYS 366 10.835 -9.173 -6.933 232 HA LYS 366 HA LYS 366 10.028 -9.494 -9.067 233 HB2 LYS 366 HB2 LYS 366 12.130 -7.373 -9.322 234 HB3 LYS 366 HB1 LYS 366 11.330 -7.979 -10.772 235 HG2 LYS 366 HG2 LYS 366 9.170 -7.342 -9.960 236 HG3 LYS 366 HG1 LYS 366 9.799 -7.026 -8.343 237 HD2 LYS 366 HD2 LYS 366 11.139 -5.509 -10.490 238 HD3 LYS 366 HD1 LYS 366 9.439 -5.099 -10.255 239 HE2 LYS 366 HE2 LYS 366 9.844 -4.729 -7.857 240 HE3 LYS 366 HE1 LYS 366 11.539 -5.171 -8.067 241 HZ1 LYS 366 HZ1 LYS 366 11.047 -2.730 -8.081 242 HZ2 LYS 366 HZ2 LYS 366 10.248 -2.961 -9.563 243 HZ3 LYS 366 HZ3 LYS 366 11.909 -3.298 -9.428 244 H LYS 367 HN LYS 367 12.590 -11.014 -8.089 245 HA LYS 367 HA LYS 367 14.155 -12.476 -8.972 246 HB2 LYS 367 HB2 LYS 367 12.078 -13.129 -11.039 247 HB3 LYS 367 HB1 LYS 367 13.139 -14.217 -10.143 248 HG2 LYS 367 HG2 LYS 367 11.838 -13.278 -8.050 249 HG3 LYS 367 HG1 LYS 367 10.607 -12.880 -9.248 250 HD2 LYS 367 HD2 LYS 367 10.673 -15.253 -10.036 251 HD3 LYS 367 HD1 LYS 367 11.794 -15.620 -8.725 252 HE2 LYS 367 HE2 LYS 367 8.988 -14.517 -8.389 253 HE3 LYS 367 HE1 LYS 367 9.480 -16.182 -8.080 254 HZ1 LYS 367 HZ1 LYS 367 11.249 -14.572 -6.692 255 HZ2 LYS 367 HZ2 LYS 367 10.023 -15.554 -6.044 256 HZ3 LYS 367 HZ3 LYS 367 9.710 -13.922 -6.398 257 H1 ACE 336 HA2 ACE 336 36.382 10.456 -10.689 258 H2 ACE 336 HA3 ACE 336 35.041 9.480 -10.090 259 H3 ACE 336 HA1 ACE 336 36.539 8.701 -10.598 260 HN1 NH2 368 HN1 NH2 368 14.064 -9.711 -10.308 261 HN2 NH2 368 HN2 NH2 368 14.813 -9.961 -11.810 Start of MODEL 23 1 HA LYS 337 HA LYS 337 36.610 8.162 -4.452 2 H1 LYS 337 HN LYS 337 35.907 9.849 -6.627 3 HB2 LYS 337 HB2 LYS 337 36.992 9.727 -2.701 4 HB3 LYS 337 HB1 LYS 337 38.072 10.186 -4.013 5 HG2 LYS 337 HG2 LYS 337 35.445 11.500 -3.256 6 HG3 LYS 337 HG1 LYS 337 37.055 12.205 -3.185 7 HD2 LYS 337 HD2 LYS 337 37.171 11.793 -5.722 8 HD3 LYS 337 HD1 LYS 337 35.426 11.531 -5.635 9 HE2 LYS 337 HE2 LYS 337 35.682 13.841 -6.140 10 HE3 LYS 337 HE1 LYS 337 35.305 13.782 -4.418 11 HZ1 LYS 337 HZ1 LYS 337 37.778 14.517 -5.752 12 HZ2 LYS 337 HZ2 LYS 337 37.950 13.583 -4.342 13 HZ3 LYS 337 HZ3 LYS 337 37.129 15.069 -4.285 14 H SER 338 HN SER 338 34.388 8.986 -6.345 15 HA SER 338 HA SER 338 32.277 9.413 -4.312 16 HG SER 338 HG SER 338 30.327 9.970 -5.289 17 HB2 SER 338 HB2 SER 338 32.661 11.185 -6.158 18 HB3 SER 338 HB1 SER 338 31.938 9.999 -7.242 19 H TYR 339 HN TYR 339 32.736 6.935 -4.216 20 HA TYR 339 HA TYR 339 30.497 5.591 -5.152 21 HD1 TYR 339 HD1 TYR 339 34.170 5.542 -5.343 22 HD2 TYR 339 HD2 TYR 339 32.398 6.143 -9.208 23 HE1 TYR 339 HE1 TYR 339 36.262 6.573 -6.133 24 HE2 TYR 339 HE2 TYR 339 34.503 7.181 -10.004 25 HH TYR 339 HH TYR 339 36.573 7.765 -9.486 26 HB2 TYR 339 HB2 TYR 339 31.906 4.072 -6.851 27 HB3 TYR 339 HB1 TYR 339 31.038 5.507 -7.367 28 H MET 340 HN MET 340 33.197 3.602 -5.767 29 HA MET 340 HA MET 340 32.726 1.951 -3.525 30 HB2 MET 340 HB2 MET 340 34.668 0.715 -4.245 31 HB3 MET 340 HB1 MET 340 33.789 1.233 -5.685 32 HG2 MET 340 HG2 MET 340 35.449 3.372 -5.264 33 HG3 MET 340 HG1 MET 340 36.462 2.032 -4.726 34 HE1 MET 340 HE1 MET 340 35.414 4.074 -7.812 35 HE2 MET 340 HE2 MET 340 36.862 3.448 -8.595 36 HE3 MET 340 HE3 MET 340 36.951 4.029 -6.935 37 H ALA 341 HN ALA 341 34.092 4.947 -3.638 38 HA ALA 341 HA ALA 341 36.110 4.475 -1.576 39 HB1 ALA 341 HB1 ALA 341 36.544 6.021 -3.493 40 HB2 ALA 341 HB2 ALA 341 36.719 6.790 -1.916 41 HB3 ALA 341 HB3 ALA 341 35.266 7.069 -2.878 42 H TYR 342 HN TYR 342 32.900 5.820 -1.978 43 HA TYR 342 HA TYR 342 32.926 6.834 0.774 44 HD1 TYR 342 HD2 TYR 342 29.202 7.115 0.917 45 HD2 TYR 342 HD1 TYR 342 30.756 6.585 -3.049 46 HE1 TYR 342 HE2 TYR 342 27.047 6.119 0.206 47 HE2 TYR 342 HE1 TYR 342 28.604 5.587 -3.763 48 HH TYR 342 HH TYR 342 26.511 5.119 -3.174 49 HB2 TYR 342 HB2 TYR 342 31.262 8.263 0.162 50 HB3 TYR 342 HB1 TYR 342 31.920 7.959 -1.449 51 H LEU 343 HN LEU 343 31.001 4.612 -1.273 52 HA LEU 343 HA LEU 343 29.264 3.771 0.778 53 HG LEU 343 HG LEU 343 31.416 2.057 -1.529 54 HB2 LEU 343 HB2 LEU 343 28.553 2.066 -0.685 55 HB3 LEU 343 HB1 LEU 343 29.064 3.367 -1.754 56 HD11 LEU 343 HD11 LEU 343 29.916 0.295 -0.140 57 HD12 LEU 343 HD12 LEU 343 31.240 -0.216 -1.182 58 HD13 LEU 343 HD13 LEU 343 29.581 -0.283 -1.770 59 HD21 LEU 343 HD21 LEU 343 29.083 1.550 -3.384 60 HD22 LEU 343 HD22 LEU 343 30.674 0.848 -3.662 61 HD23 LEU 343 HD23 LEU 343 30.471 2.597 -3.653 62 H SER 344 HN SER 344 32.563 3.060 0.153 63 HA SER 344 HA SER 344 32.576 0.616 1.736 64 HG SER 344 HG SER 344 34.415 -0.523 1.464 65 HB2 SER 344 HB2 SER 344 34.080 1.038 -0.279 66 HB3 SER 344 HB1 SER 344 34.971 2.164 0.741 67 H ALA 345 HN ALA 345 32.296 3.773 2.467 68 HA ALA 345 HA ALA 345 33.887 3.545 4.955 69 HB1 ALA 345 HB1 ALA 345 34.735 5.344 3.573 70 HB2 ALA 345 HB2 ALA 345 33.883 6.043 4.951 71 HB3 ALA 345 HB3 ALA 345 33.110 6.000 3.366 72 H GLU 346 HN GLU 346 30.891 3.070 3.945 73 HA GLU 346 HA GLU 346 29.724 4.052 6.459 74 HB2 GLU 346 HB2 GLU 346 27.669 4.739 5.174 75 HB3 GLU 346 HB1 GLU 346 29.082 5.756 4.891 76 HG2 GLU 346 HG2 GLU 346 29.203 5.164 2.714 77 HG3 GLU 346 HG1 GLU 346 28.962 3.458 3.084 78 H LEU 347 HN LEU 347 30.362 1.552 6.434 79 HA LEU 347 HA LEU 347 27.837 0.119 5.922 80 HG LEU 347 HG LEU 347 31.314 -0.174 6.100 81 HB2 LEU 347 HB2 LEU 347 29.175 -1.868 5.218 82 HB3 LEU 347 HB1 LEU 347 29.314 -0.508 4.102 83 HD11 LEU 347 HD11 LEU 347 31.078 -2.585 6.555 84 HD12 LEU 347 HD12 LEU 347 32.618 -2.250 5.764 85 HD13 LEU 347 HD13 LEU 347 31.283 -2.934 4.838 86 HD21 LEU 347 HD21 LEU 347 31.424 -1.005 3.182 87 HD22 LEU 347 HD22 LEU 347 32.813 -0.446 4.115 88 HD23 LEU 347 HD23 LEU 347 31.463 0.645 3.803 89 H PHE 348 HN PHE 348 29.969 1.166 8.134 90 HA PHE 348 HA PHE 348 29.261 -0.974 10.019 91 HD1 PHE 348 HD1 PHE 348 31.536 1.938 9.163 92 HD2 PHE 348 HD2 PHE 348 33.102 -1.944 8.201 93 HE1 PHE 348 HE1 PHE 348 32.918 2.945 7.385 94 HE2 PHE 348 HE2 PHE 348 34.493 -0.935 6.414 95 HZ PHE 348 HZ PHE 348 34.403 1.509 6.004 96 HB2 PHE 348 HB2 PHE 348 31.779 -0.413 10.857 97 HB3 PHE 348 HB1 PHE 348 31.386 -1.760 9.789 98 H HIS 349 HN HIS 349 29.371 2.234 9.235 99 HA HIS 349 HA HIS 349 30.074 3.457 11.687 100 HD2 HIS 349 HD2 HIS 349 27.936 3.133 7.794 101 HE1 HIS 349 HE1 HIS 349 24.776 5.670 8.983 102 HE2 HIS 349 HE2 HIS 349 25.488 3.903 7.304 103 HB2 HIS 349 HB2 HIS 349 29.180 5.466 10.768 104 HB3 HIS 349 HB1 HIS 349 29.923 4.583 9.436 105 H LEU 350 HN LEU 350 27.795 1.273 11.385 106 HA LEU 350 HA LEU 350 26.029 2.552 13.341 107 HG LEU 350 HG LEU 350 25.874 2.985 10.346 108 HB2 LEU 350 HB2 LEU 350 24.637 0.582 11.715 109 HB3 LEU 350 HB1 LEU 350 24.184 2.238 12.098 110 HD11 LEU 350 HD11 LEU 350 26.540 0.253 10.391 111 HD12 LEU 350 HD12 LEU 350 27.129 1.457 9.253 112 HD13 LEU 350 HD13 LEU 350 25.706 0.496 8.860 113 HD21 LEU 350 HD21 LEU 350 23.488 1.295 9.548 114 HD22 LEU 350 HD22 LEU 350 24.336 2.383 8.449 115 HD23 LEU 350 HD23 LEU 350 23.500 3.031 9.860 116 H SER 351 HN SER 351 26.224 -0.681 11.833 117 HA SER 351 HA SER 351 25.568 -2.179 14.048 118 HG SER 351 HG SER 351 28.241 -2.137 11.878 119 HB2 SER 351 HB2 SER 351 26.486 -4.058 12.927 120 HB3 SER 351 HB1 SER 351 25.946 -2.968 11.653 121 H GLY 352 HN GLY 352 26.556 -1.073 15.873 122 HA2 GLY 352 HA2 GLY 352 28.245 -2.003 17.494 123 HA3 GLY 352 HA1 GLY 352 29.432 -1.707 16.222 124 H ILE 353 HN ILE 353 28.116 0.687 15.298 125 HA ILE 353 HA ILE 353 29.129 2.559 17.312 126 HB ILE 353 HB ILE 353 28.234 3.107 14.480 127 HG12 ILE 353 HG12 ILE 353 30.059 1.526 14.352 128 HG13 ILE 353 HG11 ILE 353 30.709 3.123 13.984 129 HG21 ILE 353 HG21 ILE 353 30.293 4.815 15.574 130 HG22 ILE 353 HG22 ILE 353 28.884 4.793 16.633 131 HG23 ILE 353 HG23 ILE 353 28.707 5.251 14.940 132 HD11 ILE 353 HD11 ILE 353 32.280 2.261 15.501 133 HD12 ILE 353 HD12 ILE 353 31.043 1.483 16.488 134 HD13 ILE 353 HD13 ILE 353 31.240 3.235 16.538 135 H MET 354 HN MET 354 26.238 1.667 15.552 136 HA MET 354 HA MET 354 24.613 3.835 16.248 137 HB2 MET 354 HB2 MET 354 22.723 2.366 15.637 138 HB3 MET 354 HB1 MET 354 24.000 2.365 14.426 139 HG2 MET 354 HG2 MET 354 24.029 0.117 14.608 140 HG3 MET 354 HG1 MET 354 24.729 0.338 16.210 141 HE1 MET 354 HE1 MET 354 21.685 -2.357 15.872 142 HE2 MET 354 HE2 MET 354 23.292 -2.033 15.229 143 HE3 MET 354 HE3 MET 354 21.873 -1.418 14.386 144 H ALA 355 HN ALA 355 25.343 0.813 17.859 145 HA ALA 355 HA ALA 355 23.250 0.966 19.802 146 HB1 ALA 355 HB1 ALA 355 23.891 -1.177 19.941 147 HB2 ALA 355 HB2 ALA 355 25.314 -0.629 20.828 148 HB3 ALA 355 HB3 ALA 355 25.390 -0.838 19.075 149 H LEU 356 HN LEU 356 26.315 2.423 19.446 150 HA LEU 356 HA LEU 356 26.307 3.269 22.278 151 HG LEU 356 HG LEU 356 28.111 2.241 19.339 152 HB2 LEU 356 HB2 LEU 356 28.785 3.912 21.100 153 HB3 LEU 356 HB1 LEU 356 28.462 2.672 22.309 154 HD11 LEU 356 HD11 LEU 356 30.375 2.211 19.260 155 HD12 LEU 356 HD12 LEU 356 30.274 0.722 20.199 156 HD13 LEU 356 HD13 LEU 356 30.511 2.266 21.017 157 HD21 LEU 356 HD21 LEU 356 28.662 -0.070 21.016 158 HD22 LEU 356 HD22 LEU 356 27.306 0.213 19.927 159 HD23 LEU 356 HD23 LEU 356 27.238 0.801 21.588 160 H ILE 357 HN ILE 357 25.987 4.229 19.007 161 HA ILE 357 HA ILE 357 26.890 6.728 18.651 162 HB ILE 357 HB ILE 357 24.398 5.388 17.918 163 HG12 ILE 357 HG12 ILE 357 26.104 7.454 16.490 164 HG13 ILE 357 HG11 ILE 357 26.431 5.725 16.484 165 HG21 ILE 357 HG21 ILE 357 24.403 8.422 18.103 166 HG22 ILE 357 HG22 ILE 357 23.275 7.315 18.898 167 HG23 ILE 357 HG23 ILE 357 23.255 7.488 17.151 168 HD11 ILE 357 HD11 ILE 357 25.064 5.542 14.707 169 HD12 ILE 357 HD12 ILE 357 24.566 7.226 14.860 170 HD13 ILE 357 HD13 ILE 357 23.719 5.972 15.763 171 H ALA 358 HN ALA 358 24.145 5.975 20.771 172 HA ALA 358 HA ALA 358 24.058 8.735 21.729 173 HB1 ALA 358 HB1 ALA 358 22.402 6.572 22.946 174 HB2 ALA 358 HB2 ALA 358 22.056 7.045 21.282 175 HB3 ALA 358 HB3 ALA 358 21.976 8.243 22.574 176 H SER 359 HN SER 359 25.155 5.577 22.752 177 HA SER 359 HA SER 359 25.571 6.389 25.505 178 HG SER 359 HG SER 359 25.118 4.798 26.557 179 HB2 SER 359 HB2 SER 359 25.240 3.953 24.255 180 HB3 SER 359 HB1 SER 359 26.967 3.980 24.604 181 H GLY 360 HN GLY 360 27.108 7.156 22.726 182 HA2 GLY 360 HA2 GLY 360 29.660 7.587 24.134 183 HA3 GLY 360 HA1 GLY 360 29.672 6.832 22.544 184 H VAL 361 HN VAL 361 27.805 9.553 23.889 185 HA VAL 361 HA VAL 361 29.204 11.535 22.389 186 HB VAL 361 HB VAL 361 27.734 10.219 20.682 187 HG11 VAL 361 HG11 VAL 361 25.620 12.127 21.659 188 HG12 VAL 361 HG12 VAL 361 25.740 10.510 22.354 189 HG13 VAL 361 HG13 VAL 361 25.441 10.708 20.627 190 HG21 VAL 361 HG21 VAL 361 28.676 12.112 19.761 191 HG22 VAL 361 HG22 VAL 361 28.106 13.155 21.064 192 HG23 VAL 361 HG23 VAL 361 26.995 12.643 19.792 193 H VAL 362 HN VAL 362 27.655 10.686 24.987 194 HA VAL 362 HA VAL 362 26.644 13.399 25.507 195 HB VAL 362 HB VAL 362 24.721 11.882 24.935 196 HG11 VAL 362 HG11 VAL 362 25.880 9.875 26.045 197 HG12 VAL 362 HG12 VAL 362 24.155 10.065 26.364 198 HG13 VAL 362 HG13 VAL 362 25.336 10.553 27.580 199 HG21 VAL 362 HG21 VAL 362 24.798 12.800 27.826 200 HG22 VAL 362 HG22 VAL 362 23.363 12.609 26.818 201 HG23 VAL 362 HG23 VAL 362 24.535 13.876 26.453 202 H MET 363 HN MET 363 26.666 13.996 27.728 203 HA MET 363 HA MET 363 28.068 12.157 29.550 204 HB2 MET 363 HB2 MET 363 28.933 14.926 28.750 205 HB3 MET 363 HB1 MET 363 29.384 14.248 30.315 206 HG2 MET 363 HG2 MET 363 29.814 12.601 27.846 207 HG3 MET 363 HG1 MET 363 30.953 13.895 28.218 208 HE1 MET 363 HE1 MET 363 33.179 11.259 29.318 209 HE2 MET 363 HE2 MET 363 32.458 12.096 27.946 210 HE3 MET 363 HE3 MET 363 31.892 10.486 28.383 211 H ARG 364 HN ARG 364 27.895 15.431 30.467 212 HA ARG 364 HA ARG 364 26.713 16.531 32.090 213 HE ARG 364 HE ARG 364 24.503 18.462 28.433 214 HB2 ARG 364 HB2 ARG 364 24.606 14.980 30.636 215 HB3 ARG 364 HB1 ARG 364 24.175 15.795 32.139 216 HG2 ARG 364 HG2 ARG 364 23.798 17.246 30.158 217 HG3 ARG 364 HG1 ARG 364 25.006 17.923 31.251 218 HD2 ARG 364 HD2 ARG 364 26.767 17.466 29.811 219 HD3 ARG 364 HD1 ARG 364 25.923 16.129 29.037 220 HH11 ARG 364 HH21 ARG 364 27.631 17.069 27.928 221 HH12 ARG 364 HH22 ARG 364 27.893 17.864 26.413 222 HH21 ARG 364 HH11 ARG 364 24.841 19.509 26.446 223 HH22 ARG 364 HH12 ARG 364 26.314 19.246 25.574 224 HA PRO 365 HA PRO 365 27.028 12.885 34.878 225 HB2 PRO 365 HB2 PRO 365 29.199 13.712 36.298 226 HB3 PRO 365 HB1 PRO 365 29.326 12.829 34.764 227 HG2 PRO 365 HG2 PRO 365 29.720 15.706 35.326 228 HG3 PRO 365 HG1 PRO 365 30.499 14.669 34.122 229 HD2 PRO 365 HD2 PRO 365 28.419 16.480 33.628 230 HD3 PRO 365 HD1 PRO 365 28.941 15.177 32.538 231 H LYS 366 HN LYS 366 27.577 16.300 35.719 232 HA LYS 366 HA LYS 366 26.788 17.611 37.430 233 HB2 LYS 366 HB2 LYS 366 24.545 15.591 37.607 234 HB3 LYS 366 HB1 LYS 366 24.503 17.289 38.086 235 HG2 LYS 366 HG2 LYS 366 24.842 17.976 35.751 236 HG3 LYS 366 HG1 LYS 366 24.929 16.285 35.255 237 HD2 LYS 366 HD2 LYS 366 22.536 16.959 36.839 238 HD3 LYS 366 HD1 LYS 366 22.626 17.773 35.277 239 HE2 LYS 366 HE2 LYS 366 22.931 15.634 34.138 240 HE3 LYS 366 HE1 LYS 366 22.952 14.787 35.685 241 HZ1 LYS 366 HZ1 LYS 366 20.771 14.571 35.334 242 HZ2 LYS 366 HZ2 LYS 366 20.719 15.812 34.175 243 HZ3 LYS 366 HZ3 LYS 366 20.663 16.189 35.830 244 H LYS 367 HN LYS 367 28.795 16.089 38.287 245 HA LYS 367 HA LYS 367 28.511 14.201 40.247 246 HB2 LYS 367 HB2 LYS 367 30.461 16.414 39.804 247 HB3 LYS 367 HB1 LYS 367 30.511 15.566 41.351 248 HG2 LYS 367 HG2 LYS 367 30.942 13.477 40.322 249 HG3 LYS 367 HG1 LYS 367 30.444 14.062 38.734 250 HD2 LYS 367 HD2 LYS 367 32.386 15.580 38.677 251 HD3 LYS 367 HD1 LYS 367 32.887 15.002 40.267 252 HE2 LYS 367 HE2 LYS 367 32.415 12.775 38.471 253 HE3 LYS 367 HE1 LYS 367 33.589 13.895 37.782 254 HZ1 LYS 367 HZ1 LYS 367 35.084 13.450 39.377 255 HZ2 LYS 367 HZ2 LYS 367 34.205 12.007 39.558 256 HZ3 LYS 367 HZ3 LYS 367 33.919 13.317 40.602 257 H1 ACE 336 HA2 ACE 336 38.609 10.619 -8.040 258 H2 ACE 336 HA3 ACE 336 37.086 9.839 -8.462 259 H3 ACE 336 HA1 ACE 336 38.587 8.913 -8.486 260 HN1 NH2 368 HN1 NH2 368 27.814 17.673 40.575 261 HN2 NH2 368 HN2 NH2 368 27.218 17.568 42.162 Start of MODEL 24 1 HA LYS 337 HA LYS 337 36.616 8.151 -4.459 2 H1 LYS 337 HN LYS 337 35.924 9.838 -6.637 3 HB2 LYS 337 HB2 LYS 337 36.998 9.717 -2.708 4 HB3 LYS 337 HB1 LYS 337 38.081 10.173 -4.018 5 HG2 LYS 337 HG2 LYS 337 35.457 11.493 -3.266 6 HG3 LYS 337 HG1 LYS 337 37.068 12.194 -3.195 7 HD2 LYS 337 HD2 LYS 337 37.185 11.782 -5.730 8 HD3 LYS 337 HD1 LYS 337 35.440 11.519 -5.646 9 HE2 LYS 337 HE2 LYS 337 36.988 14.026 -4.998 10 HE3 LYS 337 HE1 LYS 337 35.657 13.824 -6.137 11 HZ1 LYS 337 HZ1 LYS 337 34.961 14.905 -4.072 12 HZ2 LYS 337 HZ2 LYS 337 35.437 13.534 -3.190 13 HZ3 LYS 337 HZ3 LYS 337 34.164 13.427 -4.308 14 H SER 338 HN SER 338 34.401 8.982 -6.359 15 HA SER 338 HA SER 338 32.286 9.422 -4.334 16 HG SER 338 HG SER 338 32.499 10.990 -8.010 17 HB2 SER 338 HB2 SER 338 30.938 10.343 -6.216 18 HB3 SER 338 HB1 SER 338 32.385 11.286 -5.872 19 H TYR 339 HN TYR 339 32.742 6.938 -4.230 20 HA TYR 339 HA TYR 339 30.498 5.600 -5.167 21 HD1 TYR 339 HD1 TYR 339 34.173 5.533 -5.350 22 HD2 TYR 339 HD2 TYR 339 32.404 6.147 -9.215 23 HE1 TYR 339 HE1 TYR 339 36.268 6.561 -6.137 24 HE2 TYR 339 HE2 TYR 339 34.512 7.182 -10.008 25 HH TYR 339 HH TYR 339 36.681 7.529 -9.527 26 HB2 TYR 339 HB2 TYR 339 31.908 4.072 -6.856 27 HB3 TYR 339 HB1 TYR 339 31.043 5.506 -7.380 28 H MET 340 HN MET 340 33.191 3.598 -5.766 29 HA MET 340 HA MET 340 32.707 1.956 -3.521 30 HB2 MET 340 HB2 MET 340 34.653 0.714 -4.229 31 HB3 MET 340 HB1 MET 340 33.771 1.221 -5.671 32 HG2 MET 340 HG2 MET 340 35.431 3.365 -5.265 33 HG3 MET 340 HG1 MET 340 36.446 2.027 -4.728 34 HE1 MET 340 HE1 MET 340 36.864 3.418 -8.594 35 HE2 MET 340 HE2 MET 340 36.937 4.009 -6.936 36 HE3 MET 340 HE3 MET 340 35.412 4.064 -7.817 37 H ALA 341 HN ALA 341 34.095 4.943 -3.644 38 HA ALA 341 HA ALA 341 36.106 4.467 -1.575 39 HB1 ALA 341 HB1 ALA 341 36.544 6.011 -3.495 40 HB2 ALA 341 HB2 ALA 341 36.722 6.780 -1.917 41 HB3 ALA 341 HB3 ALA 341 35.270 7.063 -2.879 42 H TYR 342 HN TYR 342 32.901 5.821 -1.982 43 HA TYR 342 HA TYR 342 32.923 6.845 0.765 44 HD1 TYR 342 HD1 TYR 342 29.211 7.086 0.908 45 HD2 TYR 342 HD2 TYR 342 30.750 6.607 -3.070 46 HE1 TYR 342 HE1 TYR 342 27.057 6.086 0.195 47 HE2 TYR 342 HE2 TYR 342 28.599 5.606 -3.786 48 HH TYR 342 HH TYR 342 25.779 5.716 -1.816 49 HB2 TYR 342 HB2 TYR 342 31.258 8.268 0.140 50 HB3 TYR 342 HB1 TYR 342 31.920 7.955 -1.466 51 H LEU 343 HN LEU 343 31.006 4.609 -1.274 52 HA LEU 343 HA LEU 343 29.269 3.778 0.783 53 HG LEU 343 HG LEU 343 31.409 2.069 -1.535 54 HB2 LEU 343 HB2 LEU 343 28.552 2.068 -0.673 55 HB3 LEU 343 HB1 LEU 343 29.053 3.372 -1.743 56 HD11 LEU 343 HD11 LEU 343 29.923 0.300 -0.141 57 HD12 LEU 343 HD12 LEU 343 31.241 -0.207 -1.194 58 HD13 LEU 343 HD13 LEU 343 29.577 -0.276 -1.770 59 HD21 LEU 343 HD21 LEU 343 30.457 2.609 -3.653 60 HD22 LEU 343 HD22 LEU 343 29.066 1.567 -3.378 61 HD23 LEU 343 HD23 LEU 343 30.655 0.858 -3.665 62 H SER 344 HN SER 344 32.566 3.077 0.163 63 HA SER 344 HA SER 344 32.584 0.627 1.740 64 HG SER 344 HG SER 344 34.692 0.049 2.194 65 HB2 SER 344 HB2 SER 344 34.086 1.046 -0.272 66 HB3 SER 344 HB1 SER 344 34.971 2.184 0.739 67 H ALA 345 HN ALA 345 32.296 3.783 2.473 68 HA ALA 345 HA ALA 345 33.885 3.558 4.962 69 HB1 ALA 345 HB1 ALA 345 34.731 5.360 3.581 70 HB2 ALA 345 HB2 ALA 345 33.876 6.056 4.959 71 HB3 ALA 345 HB3 ALA 345 33.105 6.012 3.373 72 H GLU 346 HN GLU 346 30.894 3.070 3.956 73 HA GLU 346 HA GLU 346 29.723 4.051 6.467 74 HB2 GLU 346 HB2 GLU 346 27.667 4.737 5.182 75 HB3 GLU 346 HB1 GLU 346 29.078 5.758 4.901 76 HG2 GLU 346 HG2 GLU 346 29.202 5.171 2.724 77 HG3 GLU 346 HG1 GLU 346 28.964 3.463 3.090 78 H LEU 347 HN LEU 347 30.363 1.553 6.439 79 HA LEU 347 HA LEU 347 27.840 0.117 5.923 80 HG LEU 347 HG LEU 347 31.319 -0.171 6.104 81 HB2 LEU 347 HB2 LEU 347 29.183 -1.867 5.218 82 HB3 LEU 347 HB1 LEU 347 29.319 -0.506 4.104 83 HD11 LEU 347 HD11 LEU 347 31.089 -2.583 6.552 84 HD12 LEU 347 HD12 LEU 347 32.629 -2.243 5.762 85 HD13 LEU 347 HD13 LEU 347 31.293 -2.928 4.834 86 HD21 LEU 347 HD21 LEU 347 31.435 -0.995 3.184 87 HD22 LEU 347 HD22 LEU 347 32.819 -0.431 4.120 88 HD23 LEU 347 HD23 LEU 347 31.465 0.654 3.808 89 H PHE 348 HN PHE 348 29.968 1.165 8.139 90 HA PHE 348 HA PHE 348 29.263 -0.980 10.019 91 HD1 PHE 348 HD1 PHE 348 31.535 1.939 9.174 92 HD2 PHE 348 HD2 PHE 348 33.101 -1.938 8.197 93 HE1 PHE 348 HE1 PHE 348 32.916 2.953 7.400 94 HE2 PHE 348 HE2 PHE 348 34.491 -0.921 6.413 95 HZ PHE 348 HZ PHE 348 34.401 1.524 6.013 96 HB2 PHE 348 HB2 PHE 348 31.780 -0.416 10.860 97 HB3 PHE 348 HB1 PHE 348 31.389 -1.761 9.789 98 H HIS 349 HN HIS 349 29.367 2.230 9.243 99 HA HIS 349 HA HIS 349 30.066 3.449 11.700 100 HD2 HIS 349 HD2 HIS 349 27.937 3.133 7.799 101 HE1 HIS 349 HE1 HIS 349 24.771 5.660 8.991 102 HE2 HIS 349 HE2 HIS 349 25.488 3.900 7.307 103 HB2 HIS 349 HB2 HIS 349 29.172 5.457 10.783 104 HB3 HIS 349 HB1 HIS 349 29.918 4.579 9.450 105 H LEU 350 HN LEU 350 27.798 1.261 11.397 106 HA LEU 350 HA LEU 350 26.023 2.531 13.348 107 HG LEU 350 HG LEU 350 25.867 2.980 10.356 108 HB2 LEU 350 HB2 LEU 350 24.635 0.566 11.711 109 HB3 LEU 350 HB1 LEU 350 24.182 2.222 12.095 110 HD11 LEU 350 HD11 LEU 350 26.535 0.234 10.392 111 HD12 LEU 350 HD12 LEU 350 27.172 1.466 9.311 112 HD13 LEU 350 HD13 LEU 350 25.761 0.523 8.837 113 HD21 LEU 350 HD21 LEU 350 23.641 3.139 9.656 114 HD22 LEU 350 HD22 LEU 350 23.387 1.397 9.744 115 HD23 LEU 350 HD23 LEU 350 24.336 2.083 8.426 116 H SER 351 HN SER 351 26.197 -0.695 11.835 117 HA SER 351 HA SER 351 25.548 -2.208 14.034 118 HG SER 351 HG SER 351 28.204 -2.139 11.795 119 HB2 SER 351 HB2 SER 351 26.492 -4.075 12.916 120 HB3 SER 351 HB1 SER 351 25.952 -2.985 11.642 121 H GLY 352 HN GLY 352 26.504 -1.131 15.886 122 HA2 GLY 352 HA2 GLY 352 28.174 -2.035 17.524 123 HA3 GLY 352 HA1 GLY 352 29.379 -1.762 16.263 124 H ILE 353 HN ILE 353 28.067 0.638 15.312 125 HA ILE 353 HA ILE 353 29.096 2.517 17.312 126 HB ILE 353 HB ILE 353 28.194 3.095 14.491 127 HG12 ILE 353 HG12 ILE 353 29.932 1.433 14.299 128 HG13 ILE 353 HG11 ILE 353 30.668 2.999 13.962 129 HG21 ILE 353 HG21 ILE 353 30.161 4.541 16.277 130 HG22 ILE 353 HG22 ILE 353 28.457 4.973 16.151 131 HG23 ILE 353 HG23 ILE 353 29.503 5.098 14.738 132 HD11 ILE 353 HD11 ILE 353 30.907 1.304 16.444 133 HD12 ILE 353 HD12 ILE 353 31.240 3.034 16.496 134 HD13 ILE 353 HD13 ILE 353 32.192 1.986 15.448 135 H MET 354 HN MET 354 26.201 1.627 15.558 136 HA MET 354 HA MET 354 24.593 3.813 16.265 137 HB2 MET 354 HB2 MET 354 22.695 2.364 15.620 138 HB3 MET 354 HB1 MET 354 23.975 2.386 14.413 139 HG2 MET 354 HG2 MET 354 23.999 0.134 14.548 140 HG3 MET 354 HG1 MET 354 24.695 0.321 16.156 141 HE1 MET 354 HE1 MET 354 23.106 -1.997 14.973 142 HE2 MET 354 HE2 MET 354 21.781 -1.157 14.172 143 HE3 MET 354 HE3 MET 354 21.443 -2.225 15.533 144 H ALA 355 HN ALA 355 25.297 0.762 17.825 145 HA ALA 355 HA ALA 355 23.196 0.880 19.757 146 HB1 ALA 355 HB1 ALA 355 25.259 -0.716 20.781 147 HB2 ALA 355 HB2 ALA 355 25.353 -0.905 19.028 148 HB3 ALA 355 HB3 ALA 355 23.847 -1.262 19.875 149 H LEU 356 HN LEU 356 26.232 2.383 19.427 150 HA LEU 356 HA LEU 356 26.206 3.194 22.269 151 HG LEU 356 HG LEU 356 28.048 2.212 19.334 152 HB2 LEU 356 HB2 LEU 356 28.683 3.878 21.112 153 HB3 LEU 356 HB1 LEU 356 28.369 2.626 22.311 154 HD11 LEU 356 HD11 LEU 356 30.216 0.707 20.217 155 HD12 LEU 356 HD12 LEU 356 30.428 2.252 21.039 156 HD13 LEU 356 HD13 LEU 356 30.315 2.197 19.280 157 HD21 LEU 356 HD21 LEU 356 27.181 0.742 21.577 158 HD22 LEU 356 HD22 LEU 356 28.602 -0.115 20.979 159 HD23 LEU 356 HD23 LEU 356 27.235 0.182 19.905 160 H ILE 357 HN ILE 357 25.882 4.171 19.007 161 HA ILE 357 HA ILE 357 26.746 6.679 18.652 162 HB ILE 357 HB ILE 357 24.253 5.325 17.953 163 HG12 ILE 357 HG12 ILE 357 25.935 7.404 16.515 164 HG13 ILE 357 HG11 ILE 357 26.248 5.672 16.483 165 HG21 ILE 357 HG21 ILE 357 24.238 8.358 18.152 166 HG22 ILE 357 HG22 ILE 357 23.133 7.240 18.963 167 HG23 ILE 357 HG23 ILE 357 23.078 7.420 17.220 168 HD11 ILE 357 HD11 ILE 357 24.342 7.215 14.930 169 HD12 ILE 357 HD12 ILE 357 23.538 5.914 15.807 170 HD13 ILE 357 HD13 ILE 357 24.868 5.547 14.709 171 H ALA 358 HN ALA 358 24.052 5.887 20.818 172 HA ALA 358 HA ALA 358 23.943 8.643 21.785 173 HB1 ALA 358 HB1 ALA 358 21.955 6.935 21.370 174 HB2 ALA 358 HB2 ALA 358 21.887 8.118 22.676 175 HB3 ALA 358 HB3 ALA 358 22.342 6.448 23.020 176 H SER 359 HN SER 359 25.032 5.474 22.815 177 HA SER 359 HA SER 359 25.523 6.305 25.546 178 HG SER 359 HG SER 359 25.131 4.789 26.616 179 HB2 SER 359 HB2 SER 359 25.190 3.859 24.280 180 HB3 SER 359 HB1 SER 359 26.909 3.892 24.669 181 H GLY 360 HN GLY 360 26.999 7.089 22.750 182 HA2 GLY 360 HA2 GLY 360 29.626 7.388 24.073 183 HA3 GLY 360 HA1 GLY 360 29.519 6.817 22.412 184 H VAL 361 HN VAL 361 27.596 9.344 23.992 185 HA VAL 361 HA VAL 361 29.029 11.529 22.870 186 HB VAL 361 HB VAL 361 27.906 10.471 20.832 187 HG11 VAL 361 HG11 VAL 361 25.565 10.707 20.558 188 HG12 VAL 361 HG12 VAL 361 25.428 11.792 21.941 189 HG13 VAL 361 HG13 VAL 361 25.752 10.077 22.195 190 HG21 VAL 361 HG21 VAL 361 28.708 12.706 20.633 191 HG22 VAL 361 HG22 VAL 361 27.449 13.332 21.696 192 HG23 VAL 361 HG23 VAL 361 27.036 12.769 20.077 193 H VAL 362 HN VAL 362 25.915 10.300 24.010 194 HA VAL 362 HA VAL 362 24.360 11.153 25.459 195 HB VAL 362 HB VAL 362 26.889 12.471 26.429 196 HG11 VAL 362 HG11 VAL 362 25.269 14.061 27.101 197 HG12 VAL 362 HG12 VAL 362 25.422 12.990 28.494 198 HG13 VAL 362 HG13 VAL 362 24.052 12.819 27.398 199 HG21 VAL 362 HG21 VAL 362 25.964 9.922 26.673 200 HG22 VAL 362 HG22 VAL 362 25.240 10.665 28.099 201 HG23 VAL 362 HG23 VAL 362 26.988 10.705 27.876 202 H MET 363 HN MET 363 22.959 12.914 25.799 203 HA MET 363 HA MET 363 23.528 15.327 24.189 204 HB2 MET 363 HB2 MET 363 20.705 14.556 24.280 205 HB3 MET 363 HB1 MET 363 21.691 15.060 22.908 206 HG2 MET 363 HG2 MET 363 21.074 12.793 22.470 207 HG3 MET 363 HG1 MET 363 22.756 12.738 22.991 208 HE1 MET 363 HE1 MET 363 19.133 12.696 24.035 209 HE2 MET 363 HE2 MET 363 18.993 11.302 25.103 210 HE3 MET 363 HE3 MET 363 19.400 11.065 23.405 211 H ARG 364 HN ARG 364 21.075 16.588 24.705 212 HA ARG 364 HA ARG 364 20.956 16.805 27.638 213 HE ARG 364 HE ARG 364 25.273 19.113 28.698 214 HB2 ARG 364 HB2 ARG 364 21.280 19.163 25.766 215 HB3 ARG 364 HB1 ARG 364 21.066 19.245 27.514 216 HG2 ARG 364 HG2 ARG 364 23.161 17.579 27.452 217 HG3 ARG 364 HG1 ARG 364 23.456 18.432 25.935 218 HD2 ARG 364 HD2 ARG 364 23.330 20.589 27.121 219 HD3 ARG 364 HD1 ARG 364 23.029 19.742 28.636 220 HH11 ARG 364 HH21 ARG 364 24.427 20.613 25.700 221 HH12 ARG 364 HH22 ARG 364 26.065 20.815 25.178 222 HH21 ARG 364 HH11 ARG 364 27.428 19.376 28.024 223 HH22 ARG 364 HH12 ARG 364 27.765 20.114 26.494 224 HA PRO 365 HA PRO 365 16.790 16.956 25.657 225 HB2 PRO 365 HB2 PRO 365 15.752 14.747 26.845 226 HB3 PRO 365 HB1 PRO 365 16.728 14.666 25.367 227 HG2 PRO 365 HG2 PRO 365 17.464 13.999 28.153 228 HG3 PRO 365 HG1 PRO 365 18.031 13.295 26.632 229 HD2 PRO 365 HD2 PRO 365 19.408 15.183 28.191 230 HD3 PRO 365 HD1 PRO 365 19.789 14.742 26.513 231 H LYS 366 HN LYS 366 17.656 16.168 29.010 232 HA LYS 366 HA LYS 366 16.758 16.809 31.028 233 HB2 LYS 366 HB2 LYS 366 15.920 19.267 29.473 234 HB3 LYS 366 HB1 LYS 366 16.154 19.147 31.217 235 HG2 LYS 366 HG2 LYS 366 18.333 19.628 30.955 236 HG3 LYS 366 HG1 LYS 366 18.527 18.183 29.962 237 HD2 LYS 366 HD2 LYS 366 19.223 20.132 28.673 238 HD3 LYS 366 HD1 LYS 366 17.734 19.485 27.984 239 HE2 LYS 366 HE2 LYS 366 16.718 21.465 28.301 240 HE3 LYS 366 HE1 LYS 366 17.023 21.346 30.033 241 HZ1 LYS 366 HZ1 LYS 366 18.300 22.983 28.099 242 HZ2 LYS 366 HZ2 LYS 366 19.440 22.006 28.894 243 HZ3 LYS 366 HZ3 LYS 366 18.423 23.030 29.790 244 H LYS 367 HN LYS 367 15.137 15.028 29.852 245 HA LYS 367 HA LYS 367 12.975 14.253 29.716 246 HB2 LYS 367 HB2 LYS 367 12.486 16.410 31.785 247 HB3 LYS 367 HB1 LYS 367 11.485 14.985 31.496 248 HG2 LYS 367 HG2 LYS 367 12.766 13.843 32.949 249 HG3 LYS 367 HG1 LYS 367 14.129 14.038 31.845 250 HD2 LYS 367 HD2 LYS 367 14.571 16.280 32.883 251 HD3 LYS 367 HD1 LYS 367 13.310 15.931 34.066 252 HE2 LYS 367 HE2 LYS 367 14.526 14.055 34.938 253 HE3 LYS 367 HE1 LYS 367 15.683 14.110 33.608 254 HZ1 LYS 367 HZ1 LYS 367 16.369 15.139 35.816 255 HZ2 LYS 367 HZ2 LYS 367 15.314 16.412 35.423 256 HZ3 LYS 367 HZ3 LYS 367 16.635 16.056 34.414 257 H1 ACE 336 HA2 ACE 336 37.108 9.829 -8.468 258 H2 ACE 336 HA3 ACE 336 38.604 8.895 -8.489 259 H3 ACE 336 HA1 ACE 336 38.636 10.600 -8.042 260 HN1 NH2 368 HN1 NH2 368 11.285 17.099 30.599 261 HN2 NH2 368 HN2 NH2 368 10.830 17.583 29.036 Start of MODEL 25 1 HA LYS 337 HA LYS 337 36.833 8.544 -5.302 2 H1 LYS 337 HN LYS 337 35.363 9.905 -7.376 3 HB2 LYS 337 HB2 LYS 337 36.746 10.711 -3.843 4 HB3 LYS 337 HB1 LYS 337 38.082 10.461 -4.956 5 HG2 LYS 337 HG2 LYS 337 37.320 12.737 -5.247 6 HG3 LYS 337 HG1 LYS 337 36.836 11.836 -6.669 7 HD2 LYS 337 HD2 LYS 337 35.062 13.344 -5.856 8 HD3 LYS 337 HD1 LYS 337 34.573 11.664 -5.841 9 HE2 LYS 337 HE2 LYS 337 34.572 11.543 -3.524 10 HE3 LYS 337 HE1 LYS 337 35.805 12.793 -3.364 11 HZ1 LYS 337 HZ1 LYS 337 34.038 14.345 -4.288 12 HZ2 LYS 337 HZ2 LYS 337 33.844 13.815 -2.687 13 HZ3 LYS 337 HZ3 LYS 337 32.925 13.117 -3.933 14 H SER 338 HN SER 338 33.971 9.496 -6.640 15 HA SER 338 HA SER 338 32.524 9.368 -4.084 16 HG SER 338 HG SER 338 30.277 9.987 -6.878 17 HB2 SER 338 HB2 SER 338 30.881 10.738 -5.001 18 HB3 SER 338 HB1 SER 338 32.359 11.393 -5.700 19 H TYR 339 HN TYR 339 32.824 6.992 -4.201 20 HA TYR 339 HA TYR 339 30.482 5.709 -5.034 21 HD1 TYR 339 HD1 TYR 339 34.121 5.645 -5.279 22 HD2 TYR 339 HD2 TYR 339 32.429 5.964 -9.215 23 HE1 TYR 339 HE1 TYR 339 36.294 6.393 -6.138 24 HE2 TYR 339 HE2 TYR 339 34.625 6.716 -10.085 25 HH TYR 339 HH TYR 339 37.390 7.222 -7.908 26 HB2 TYR 339 HB2 TYR 339 31.686 4.214 -6.824 27 HB3 TYR 339 HB1 TYR 339 30.992 5.760 -7.277 28 H MET 340 HN MET 340 33.086 3.709 -5.840 29 HA MET 340 HA MET 340 32.724 1.945 -3.680 30 HB2 MET 340 HB2 MET 340 34.736 0.827 -4.518 31 HB3 MET 340 HB1 MET 340 33.681 1.284 -5.857 32 HG2 MET 340 HG2 MET 340 35.175 3.527 -5.697 33 HG3 MET 340 HG1 MET 340 36.350 2.355 -5.101 34 HE1 MET 340 HE1 MET 340 36.165 3.449 -9.183 35 HE2 MET 340 HE2 MET 340 36.650 4.131 -7.633 36 HE3 MET 340 HE3 MET 340 34.944 4.070 -8.065 37 H ALA 341 HN ALA 341 34.095 4.947 -3.630 38 HA ALA 341 HA ALA 341 36.162 4.298 -1.656 39 HB1 ALA 341 HB1 ALA 341 36.839 5.868 -3.341 40 HB2 ALA 341 HB2 ALA 341 36.648 6.762 -1.833 41 HB3 ALA 341 HB3 ALA 341 35.399 6.852 -3.076 42 H TYR 342 HN TYR 342 33.007 5.799 -1.922 43 HA TYR 342 HA TYR 342 33.139 6.724 0.852 44 HD1 TYR 342 HD1 TYR 342 29.451 7.094 1.121 45 HD2 TYR 342 HD2 TYR 342 30.843 6.644 -2.915 46 HE1 TYR 342 HE1 TYR 342 27.242 6.183 0.460 47 HE2 TYR 342 HE2 TYR 342 28.638 5.733 -3.578 48 HH TYR 342 HH TYR 342 26.562 5.283 -2.923 49 HB2 TYR 342 HB2 TYR 342 31.514 8.220 0.308 50 HB3 TYR 342 HB1 TYR 342 32.112 7.916 -1.326 51 H LEU 343 HN LEU 343 31.110 4.586 -1.182 52 HA LEU 343 HA LEU 343 29.373 3.793 0.884 53 HG LEU 343 HG LEU 343 31.437 2.018 -1.449 54 HB2 LEU 343 HB2 LEU 343 28.594 2.104 -0.569 55 HB3 LEU 343 HB1 LEU 343 29.114 3.402 -1.636 56 HD11 LEU 343 HD11 LEU 343 29.463 -0.221 -1.698 57 HD12 LEU 343 HD12 LEU 343 29.933 0.285 -0.078 58 HD13 LEU 343 HD13 LEU 343 31.156 -0.275 -1.215 59 HD21 LEU 343 HD21 LEU 343 30.498 2.649 -3.555 60 HD22 LEU 343 HD22 LEU 343 29.077 1.640 -3.304 61 HD23 LEU 343 HD23 LEU 343 30.645 0.894 -3.608 62 H SER 344 HN SER 344 32.651 3.056 0.329 63 HA SER 344 HA SER 344 32.604 0.570 1.854 64 HG SER 344 HG SER 344 33.201 0.243 -0.272 65 HB2 SER 344 HB2 SER 344 34.933 2.152 0.738 66 HB3 SER 344 HB1 SER 344 35.028 0.546 1.457 67 H ALA 345 HN ALA 345 32.364 3.729 2.617 68 HA ALA 345 HA ALA 345 33.838 3.413 5.166 69 HB1 ALA 345 HB1 ALA 345 33.314 5.936 3.574 70 HB2 ALA 345 HB2 ALA 345 34.875 5.141 3.788 71 HB3 ALA 345 HB3 ALA 345 34.066 5.883 5.168 72 H GLU 346 HN GLU 346 31.019 2.731 4.405 73 HA GLU 346 HA GLU 346 29.752 4.009 6.686 74 HB2 GLU 346 HB2 GLU 346 27.749 4.662 5.274 75 HB3 GLU 346 HB1 GLU 346 29.186 5.663 5.058 76 HG2 GLU 346 HG2 GLU 346 29.377 5.067 2.893 77 HG3 GLU 346 HG1 GLU 346 29.222 3.356 3.289 78 H LEU 347 HN LEU 347 30.463 1.391 6.417 79 HA LEU 347 HA LEU 347 27.859 0.039 6.029 80 HG LEU 347 HG LEU 347 31.325 -0.400 6.324 81 HB2 LEU 347 HB2 LEU 347 29.103 -1.967 5.326 82 HB3 LEU 347 HB1 LEU 347 29.428 -0.605 4.253 83 HD11 LEU 347 HD11 LEU 347 31.094 -3.236 5.264 84 HD12 LEU 347 HD12 LEU 347 30.830 -2.734 6.935 85 HD13 LEU 347 HD13 LEU 347 32.437 -2.610 6.220 86 HD21 LEU 347 HD21 LEU 347 31.657 0.208 3.966 87 HD22 LEU 347 HD22 LEU 347 31.556 -1.490 3.499 88 HD23 LEU 347 HD23 LEU 347 32.909 -0.925 4.480 89 H PHE 348 HN PHE 348 30.013 1.069 8.243 90 HA PHE 348 HA PHE 348 29.226 -1.032 10.151 91 HD1 PHE 348 HD1 PHE 348 31.594 1.914 9.393 92 HD2 PHE 348 HD2 PHE 348 33.018 -2.017 8.415 93 HE1 PHE 348 HE1 PHE 348 33.010 2.877 7.609 94 HE2 PHE 348 HE2 PHE 348 34.440 -1.055 6.628 95 HZ PHE 348 HZ PHE 348 34.437 1.392 6.222 96 HB2 PHE 348 HB2 PHE 348 31.702 -0.373 11.074 97 HB3 PHE 348 HB1 PHE 348 31.372 -1.775 10.057 98 H HIS 349 HN HIS 349 29.471 2.196 9.308 99 HA HIS 349 HA HIS 349 29.996 3.500 11.723 100 HD2 HIS 349 HD2 HIS 349 27.999 2.350 8.317 101 HE1 HIS 349 HE1 HIS 349 25.092 5.367 7.801 102 HE2 HIS 349 HE2 HIS 349 25.797 3.032 7.094 103 HB2 HIS 349 HB2 HIS 349 28.815 5.417 10.748 104 HB3 HIS 349 HB1 HIS 349 29.886 4.666 9.567 105 H LEU 350 HN LEU 350 27.427 1.466 10.932 106 HA LEU 350 HA LEU 350 25.849 2.485 13.220 107 HG LEU 350 HG LEU 350 25.614 3.549 10.388 108 HB2 LEU 350 HB2 LEU 350 24.769 1.228 10.687 109 HB3 LEU 350 HB1 LEU 350 23.812 1.776 12.061 110 HD11 LEU 350 HD11 LEU 350 23.657 2.772 9.118 111 HD12 LEU 350 HD12 LEU 350 23.495 4.482 9.516 112 HD13 LEU 350 HD13 LEU 350 22.594 3.275 10.432 113 HD21 LEU 350 HD21 LEU 350 25.474 4.770 12.326 114 HD22 LEU 350 HD22 LEU 350 24.030 3.926 12.881 115 HD23 LEU 350 HD23 LEU 350 23.895 5.206 11.677 116 H SER 351 HN SER 351 27.893 0.577 13.462 117 HA SER 351 HA SER 351 27.366 -2.081 13.218 118 HG SER 351 HG SER 351 29.252 0.092 15.853 119 HB2 SER 351 HB2 SER 351 28.633 -2.417 15.324 120 HB3 SER 351 HB1 SER 351 29.410 -1.252 14.255 121 H GLY 352 HN GLY 352 25.280 -2.780 13.363 122 HA2 GLY 352 HA2 GLY 352 24.090 -3.896 15.410 123 HA3 GLY 352 HA1 GLY 352 23.747 -2.212 15.804 124 H ILE 353 HN ILE 353 23.347 -1.179 13.267 125 HA ILE 353 HA ILE 353 20.758 -2.382 12.584 126 HB ILE 353 HB ILE 353 21.991 0.307 11.971 127 HG12 ILE 353 HG12 ILE 353 19.373 0.158 13.273 128 HG13 ILE 353 HG11 ILE 353 20.639 -0.641 14.207 129 HG21 ILE 353 HG21 ILE 353 19.438 0.590 11.196 130 HG22 ILE 353 HG22 ILE 353 19.639 -1.121 10.822 131 HG23 ILE 353 HG23 ILE 353 20.700 0.074 10.078 132 HD11 ILE 353 HD11 ILE 353 20.810 2.180 13.105 133 HD12 ILE 353 HD12 ILE 353 22.027 1.377 14.097 134 HD13 ILE 353 HD13 ILE 353 20.450 1.768 14.782 135 H MET 354 HN MET 354 23.839 -1.422 11.192 136 HA MET 354 HA MET 354 23.218 -2.082 8.500 137 HB2 MET 354 HB2 MET 354 25.601 -1.813 8.090 138 HB3 MET 354 HB1 MET 354 25.025 -0.515 9.136 139 HG2 MET 354 HG2 MET 354 26.879 -1.152 10.349 140 HG3 MET 354 HG1 MET 354 25.699 -2.265 11.042 141 HE1 MET 354 HE1 MET 354 27.088 -3.986 11.862 142 HE2 MET 354 HE2 MET 354 28.576 -3.121 11.486 143 HE3 MET 354 HE3 MET 354 28.413 -4.817 11.034 144 H ALA 355 HN ALA 355 24.299 -3.899 11.239 145 HA ALA 355 HA ALA 355 25.340 -6.124 9.745 146 HB1 ALA 355 HB1 ALA 355 25.129 -5.325 12.520 147 HB2 ALA 355 HB2 ALA 355 26.238 -6.475 11.771 148 HB3 ALA 355 HB3 ALA 355 24.648 -7.010 12.314 149 H LEU 356 HN LEU 356 22.260 -4.965 10.449 150 HA LEU 356 HA LEU 356 21.052 -7.607 9.884 151 HG LEU 356 HG LEU 356 21.030 -4.580 11.857 152 HB2 LEU 356 HB2 LEU 356 19.088 -5.954 11.030 153 HB3 LEU 356 HB1 LEU 356 19.848 -7.367 11.759 154 HD11 LEU 356 HD11 LEU 356 18.844 -5.781 13.357 155 HD12 LEU 356 HD12 LEU 356 19.444 -4.125 13.405 156 HD13 LEU 356 HD13 LEU 356 20.186 -5.360 14.420 157 HD21 LEU 356 HD21 LEU 356 22.816 -5.619 12.763 158 HD22 LEU 356 HD22 LEU 356 22.047 -7.178 12.472 159 HD23 LEU 356 HD23 LEU 356 21.789 -6.339 14.000 160 H ILE 357 HN ILE 357 21.451 -4.343 8.954 161 HA ILE 357 HA ILE 357 19.278 -3.421 7.701 162 HB ILE 357 HB ILE 357 22.131 -3.424 6.973 163 HG12 ILE 357 HG12 ILE 357 19.949 -1.314 6.836 164 HG13 ILE 357 HG11 ILE 357 20.927 -1.646 8.261 165 HG21 ILE 357 HG21 ILE 357 21.353 -4.092 4.777 166 HG22 ILE 357 HG22 ILE 357 21.652 -2.363 4.722 167 HG23 ILE 357 HG23 ILE 357 20.001 -2.957 4.854 168 HD11 ILE 357 HD11 ILE 357 22.798 -1.319 6.209 169 HD12 ILE 357 HD12 ILE 357 22.407 -0.142 7.463 170 HD13 ILE 357 HD13 ILE 357 21.588 -0.072 5.904 171 H ALA 358 HN ALA 358 21.223 -6.115 6.467 172 HA ALA 358 HA ALA 358 19.283 -6.593 4.327 173 HB1 ALA 358 HB1 ALA 358 21.527 -8.478 4.748 174 HB2 ALA 358 HB2 ALA 358 21.976 -6.820 4.348 175 HB3 ALA 358 HB3 ALA 358 20.935 -7.737 3.261 176 H SER 359 HN SER 359 20.272 -7.888 7.410 177 HA SER 359 HA SER 359 18.806 -10.370 7.070 178 HG SER 359 HG SER 359 20.145 -9.632 10.747 179 HB2 SER 359 HB2 SER 359 19.970 -11.068 8.871 180 HB3 SER 359 HB1 SER 359 20.920 -9.600 8.656 181 H GLY 360 HN GLY 360 17.845 -7.282 7.515 182 HA2 GLY 360 HA2 GLY 360 15.370 -8.136 8.860 183 HA3 GLY 360 HA1 GLY 360 16.230 -6.731 9.482 184 H VAL 361 HN VAL 361 15.520 -7.851 6.170 185 HA VAL 361 HA VAL 361 13.604 -5.807 5.653 186 HB VAL 361 HB VAL 361 15.963 -4.650 5.711 187 HG11 VAL 361 HG11 VAL 361 15.946 -5.554 2.835 188 HG12 VAL 361 HG12 VAL 361 16.794 -6.489 4.066 189 HG13 VAL 361 HG13 VAL 361 17.259 -4.817 3.752 190 HG21 VAL 361 HG21 VAL 361 13.891 -3.541 5.020 191 HG22 VAL 361 HG22 VAL 361 13.978 -4.317 3.438 192 HG23 VAL 361 HG23 VAL 361 15.188 -3.121 3.901 193 H VAL 362 HN VAL 362 15.044 -8.673 5.045 194 HA VAL 362 HA VAL 362 14.913 -8.984 2.249 195 HB VAL 362 HB VAL 362 14.420 -11.079 4.378 196 HG11 VAL 362 HG11 VAL 362 13.782 -11.929 2.228 197 HG12 VAL 362 HG12 VAL 362 15.399 -12.556 2.548 198 HG13 VAL 362 HG13 VAL 362 15.184 -11.193 1.451 199 HG21 VAL 362 HG21 VAL 362 16.541 -10.390 4.952 200 HG22 VAL 362 HG22 VAL 362 16.865 -9.711 3.357 201 HG23 VAL 362 HG23 VAL 362 16.972 -11.454 3.613 202 H MET 363 HN MET 363 12.453 -8.988 4.720 203 HA MET 363 HA MET 363 10.375 -8.911 2.709 204 HB2 MET 363 HB2 MET 363 9.170 -10.836 4.049 205 HB3 MET 363 HB1 MET 363 10.294 -11.224 2.746 206 HG2 MET 363 HG2 MET 363 11.943 -11.945 4.194 207 HG3 MET 363 HG1 MET 363 11.414 -10.879 5.495 208 HE1 MET 363 HE1 MET 363 11.834 -14.327 4.522 209 HE2 MET 363 HE2 MET 363 11.137 -15.017 5.986 210 HE3 MET 363 HE3 MET 363 12.299 -13.699 6.109 211 H ARG 364 HN ARG 364 8.232 -8.531 3.687 212 HA ARG 364 HA ARG 364 8.189 -7.733 6.484 213 HE ARG 364 HE ARG 364 11.311 -4.160 5.965 214 HB2 ARG 364 HB2 ARG 364 8.328 -5.805 4.242 215 HB3 ARG 364 HB1 ARG 364 7.097 -5.476 5.461 216 HG2 ARG 364 HG2 ARG 364 8.842 -5.666 7.235 217 HG3 ARG 364 HG1 ARG 364 10.058 -5.890 5.973 218 HD2 ARG 364 HD2 ARG 364 8.784 -3.651 5.087 219 HD3 ARG 364 HD1 ARG 364 8.649 -3.446 6.829 220 HH11 ARG 364 HH21 ARG 364 9.017 -1.616 6.454 221 HH12 ARG 364 HH22 ARG 364 10.218 -0.383 6.650 222 HH21 ARG 364 HH11 ARG 364 12.892 -2.548 6.220 223 HH22 ARG 364 HH12 ARG 364 12.412 -0.910 6.518 224 HA PRO 365 HA PRO 365 4.140 -9.240 4.915 225 HB2 PRO 365 HB2 PRO 365 3.920 -11.421 6.487 226 HB3 PRO 365 HB1 PRO 365 4.914 -11.427 5.017 227 HG2 PRO 365 HG2 PRO 365 5.743 -11.281 7.856 228 HG3 PRO 365 HG1 PRO 365 6.564 -12.021 6.474 229 HD2 PRO 365 HD2 PRO 365 7.134 -9.487 7.603 230 HD3 PRO 365 HD1 PRO 365 7.747 -10.114 6.057 231 H LYS 366 HN LYS 366 5.344 -8.866 8.212 232 HA LYS 366 HA LYS 366 4.337 -8.180 10.165 233 HB2 LYS 366 HB2 LYS 366 2.577 -6.718 8.181 234 HB3 LYS 366 HB1 LYS 366 2.660 -6.375 9.908 235 HG2 LYS 366 HG2 LYS 366 4.289 -4.896 9.346 236 HG3 LYS 366 HG1 LYS 366 5.319 -6.316 9.193 237 HD2 LYS 366 HD2 LYS 366 5.533 -5.039 7.155 238 HD3 LYS 366 HD1 LYS 366 4.605 -6.488 6.785 239 HE2 LYS 366 HE2 LYS 366 2.775 -4.455 7.630 240 HE3 LYS 366 HE1 LYS 366 3.835 -3.772 6.398 241 HZ1 LYS 366 HZ1 LYS 366 2.031 -4.782 5.285 242 HZ2 LYS 366 HZ2 LYS 366 2.166 -6.211 6.193 243 HZ3 LYS 366 HZ3 LYS 366 3.364 -5.806 5.059 244 H LYS 367 HN LYS 367 3.054 -10.416 8.303 245 HA LYS 367 HA LYS 367 0.321 -10.537 9.101 246 HB2 LYS 367 HB2 LYS 367 2.253 -12.552 7.965 247 HB3 LYS 367 HB1 LYS 367 0.604 -12.995 8.412 248 HG2 LYS 367 HG2 LYS 367 -0.274 -11.229 6.923 249 HG3 LYS 367 HG1 LYS 367 1.375 -10.798 6.467 250 HD2 LYS 367 HD2 LYS 367 1.737 -12.921 5.418 251 HD3 LYS 367 HD1 LYS 367 0.256 -13.586 6.107 252 HE2 LYS 367 HE2 LYS 367 -1.104 -12.076 4.766 253 HE3 LYS 367 HE1 LYS 367 0.340 -11.270 4.153 254 HZ1 LYS 367 HZ1 LYS 367 0.834 -13.856 3.590 255 HZ2 LYS 367 HZ2 LYS 367 0.180 -12.735 2.493 256 HZ3 LYS 367 HZ3 LYS 367 -0.845 -13.776 3.361 257 H1 ACE 336 HA2 ACE 336 36.097 9.223 -9.525 258 H2 ACE 336 HA3 ACE 336 37.839 9.105 -9.776 259 H3 ACE 336 HA1 ACE 336 37.100 10.672 -9.450 260 HN1 NH2 368 HN1 NH2 368 -0.030 -10.523 11.354 261 HN2 NH2 368 HN2 NH2 368 0.627 -11.677 12.412 Start of MODEL 26 1 HA LYS 337 HA LYS 337 36.541 8.114 -4.565 2 H1 LYS 337 HN LYS 337 35.761 9.817 -6.702 3 HB2 LYS 337 HB2 LYS 337 36.955 9.672 -2.811 4 HB3 LYS 337 HB1 LYS 337 37.997 10.145 -4.149 5 HG2 LYS 337 HG2 LYS 337 35.378 11.435 -3.326 6 HG3 LYS 337 HG1 LYS 337 36.984 12.150 -3.275 7 HD2 LYS 337 HD2 LYS 337 37.056 11.752 -5.819 8 HD3 LYS 337 HD1 LYS 337 35.313 11.495 -5.700 9 HE2 LYS 337 HE2 LYS 337 35.221 13.754 -5.989 10 HE3 LYS 337 HE1 LYS 337 35.572 13.787 -4.262 11 HZ1 LYS 337 HZ1 LYS 337 37.271 15.069 -4.962 12 HZ2 LYS 337 HZ2 LYS 337 37.298 14.399 -6.523 13 HZ3 LYS 337 HZ3 LYS 337 38.022 13.573 -5.228 14 H SER 338 HN SER 338 34.261 8.926 -6.386 15 HA SER 338 HA SER 338 32.203 9.359 -4.302 16 HG SER 338 HG SER 338 30.547 11.505 -5.580 17 HB2 SER 338 HB2 SER 338 32.489 11.089 -6.183 18 HB3 SER 338 HB1 SER 338 31.807 9.860 -7.243 19 H TYR 339 HN TYR 339 32.786 6.862 -4.215 20 HA TYR 339 HA TYR 339 30.508 5.467 -4.994 21 HD1 TYR 339 HD1 TYR 339 34.169 5.507 -5.402 22 HD2 TYR 339 HD2 TYR 339 32.128 6.021 -9.147 23 HE1 TYR 339 HE1 TYR 339 36.166 6.626 -6.332 24 HE2 TYR 339 HE2 TYR 339 34.133 7.141 -10.082 25 HH TYR 339 HH TYR 339 37.138 7.389 -8.210 26 HB2 TYR 339 HB2 TYR 339 31.880 3.946 -6.739 27 HB3 TYR 339 HB1 TYR 339 30.921 5.332 -7.228 28 H MET 340 HN MET 340 33.219 3.514 -5.708 29 HA MET 340 HA MET 340 32.872 1.871 -3.448 30 HB2 MET 340 HB2 MET 340 34.817 0.688 -4.205 31 HB3 MET 340 HB1 MET 340 33.941 1.218 -5.642 32 HG2 MET 340 HG2 MET 340 35.549 3.374 -5.214 33 HG3 MET 340 HG1 MET 340 36.583 2.077 -4.619 34 HE1 MET 340 HE1 MET 340 36.918 3.454 -8.555 35 HE2 MET 340 HE2 MET 340 37.009 4.076 -6.909 36 HE3 MET 340 HE3 MET 340 35.453 4.008 -7.732 37 H ALA 341 HN ALA 341 34.122 4.916 -3.592 38 HA ALA 341 HA ALA 341 36.180 4.527 -1.548 39 HB1 ALA 341 HB1 ALA 341 36.600 6.048 -3.459 40 HB2 ALA 341 HB2 ALA 341 36.674 6.887 -1.910 41 HB3 ALA 341 HB3 ALA 341 35.245 7.048 -2.934 42 H TYR 342 HN TYR 342 32.978 5.939 -1.966 43 HA TYR 342 HA TYR 342 32.997 6.916 0.790 44 HD1 TYR 342 HD1 TYR 342 29.362 7.250 1.022 45 HD2 TYR 342 HD2 TYR 342 30.710 6.742 -3.023 46 HE1 TYR 342 HE1 TYR 342 27.151 6.321 0.401 47 HE2 TYR 342 HE2 TYR 342 28.501 5.814 -3.646 48 HH TYR 342 HH TYR 342 25.830 6.221 -2.082 49 HB2 TYR 342 HB2 TYR 342 31.405 8.396 0.146 50 HB3 TYR 342 HB1 TYR 342 32.006 8.019 -1.471 51 H LEU 343 HN LEU 343 31.010 4.735 -1.260 52 HA LEU 343 HA LEU 343 29.300 3.945 0.844 53 HG LEU 343 HG LEU 343 31.292 2.533 -1.745 54 HB2 LEU 343 HB2 LEU 343 28.603 2.113 -0.590 55 HB3 LEU 343 HB1 LEU 343 28.764 3.581 -1.547 56 HD11 LEU 343 HD11 LEU 343 30.256 0.466 -0.534 57 HD12 LEU 343 HD12 LEU 343 31.230 0.189 -1.977 58 HD13 LEU 343 HD13 LEU 343 29.470 0.155 -2.081 59 HD21 LEU 343 HD21 LEU 343 30.600 1.851 -4.014 60 HD22 LEU 343 HD22 LEU 343 29.856 3.391 -3.587 61 HD23 LEU 343 HD23 LEU 343 28.909 1.906 -3.522 62 H SER 344 HN SER 344 32.552 3.246 0.241 63 HA SER 344 HA SER 344 32.530 0.707 1.690 64 HG SER 344 HG SER 344 35.379 0.679 2.166 65 HB2 SER 344 HB2 SER 344 34.026 1.064 -0.291 66 HB3 SER 344 HB1 SER 344 34.891 2.286 0.639 67 H ALA 345 HN ALA 345 32.289 3.833 2.527 68 HA ALA 345 HA ALA 345 33.827 3.476 5.031 69 HB1 ALA 345 HB1 ALA 345 34.844 5.224 3.671 70 HB2 ALA 345 HB2 ALA 345 34.053 5.951 5.069 71 HB3 ALA 345 HB3 ALA 345 33.281 6.020 3.484 72 H GLU 346 HN GLU 346 30.947 2.914 4.202 73 HA GLU 346 HA GLU 346 29.738 4.099 6.574 74 HB2 GLU 346 HB2 GLU 346 27.747 4.867 5.226 75 HB3 GLU 346 HB1 GLU 346 29.212 5.822 4.990 76 HG2 GLU 346 HG2 GLU 346 29.280 5.297 2.804 77 HG3 GLU 346 HG1 GLU 346 29.168 3.577 3.167 78 H LEU 347 HN LEU 347 30.361 1.497 6.303 79 HA LEU 347 HA LEU 347 27.731 0.215 5.874 80 HG LEU 347 HG LEU 347 31.184 -0.353 6.080 81 HB2 LEU 347 HB2 LEU 347 28.930 -1.804 5.083 82 HB3 LEU 347 HB1 LEU 347 29.200 -0.417 4.026 83 HD11 LEU 347 HD11 LEU 347 30.780 -2.750 6.390 84 HD12 LEU 347 HD12 LEU 347 32.329 -2.505 5.583 85 HD13 LEU 347 HD13 LEU 347 30.922 -3.017 4.652 86 HD21 LEU 347 HD21 LEU 347 32.697 -0.522 4.140 87 HD22 LEU 347 HD22 LEU 347 31.362 0.576 3.789 88 HD23 LEU 347 HD23 LEU 347 31.354 -1.061 3.132 89 H PHE 348 HN PHE 348 29.985 1.092 8.060 90 HA PHE 348 HA PHE 348 29.164 -1.035 9.919 91 HD1 PHE 348 HD1 PHE 348 31.627 1.789 9.158 92 HD2 PHE 348 HD2 PHE 348 32.901 -2.159 8.050 93 HE1 PHE 348 HE1 PHE 348 33.062 2.754 7.393 94 HE2 PHE 348 HE2 PHE 348 34.342 -1.193 6.279 95 HZ PHE 348 HZ PHE 348 34.424 1.263 5.949 96 HB2 PHE 348 HB2 PHE 348 31.700 -0.589 10.771 97 HB3 PHE 348 HB1 PHE 348 31.251 -1.908 9.690 98 H HIS 349 HN HIS 349 29.465 2.183 9.178 99 HA HIS 349 HA HIS 349 30.202 3.366 11.625 100 HD2 HIS 349 HD2 HIS 349 28.078 2.604 8.087 101 HE1 HIS 349 HE1 HIS 349 25.101 5.589 8.297 102 HE2 HIS 349 HE2 HIS 349 25.759 3.400 7.191 103 HB2 HIS 349 HB2 HIS 349 29.160 5.389 10.749 104 HB3 HIS 349 HB1 HIS 349 30.074 4.585 9.474 105 H LEU 350 HN LEU 350 27.739 1.301 11.161 106 HA LEU 350 HA LEU 350 26.126 2.503 13.310 107 HG LEU 350 HG LEU 350 25.787 3.485 10.558 108 HB2 LEU 350 HB2 LEU 350 25.097 1.097 10.836 109 HB3 LEU 350 HB1 LEU 350 24.100 1.579 12.205 110 HD11 LEU 350 HD11 LEU 350 24.097 2.883 9.066 111 HD12 LEU 350 HD12 LEU 350 23.358 4.247 9.903 112 HD13 LEU 350 HD13 LEU 350 22.924 2.598 10.352 113 HD21 LEU 350 HD21 LEU 350 23.993 3.759 12.943 114 HD22 LEU 350 HD22 LEU 350 23.968 5.047 11.743 115 HD23 LEU 350 HD23 LEU 350 25.476 4.626 12.549 116 H SER 351 HN SER 351 25.961 -0.535 11.460 117 HA SER 351 HA SER 351 25.298 -2.144 13.640 118 HG SER 351 HG SER 351 24.414 -4.200 11.506 119 HB2 SER 351 HB2 SER 351 26.398 -2.657 10.919 120 HB3 SER 351 HB1 SER 351 26.425 -3.975 12.086 121 H GLY 352 HN GLY 352 26.827 -1.242 15.287 122 HA2 GLY 352 HA2 GLY 352 28.546 -2.789 16.461 123 HA3 GLY 352 HA1 GLY 352 29.554 -2.345 15.082 124 H ILE 353 HN ILE 353 28.553 0.254 14.771 125 HA ILE 353 HA ILE 353 29.931 1.614 16.967 126 HB ILE 353 HB ILE 353 28.976 2.600 14.271 127 HG12 ILE 353 HG12 ILE 353 30.798 1.025 13.978 128 HG13 ILE 353 HG11 ILE 353 31.429 2.651 13.736 129 HG21 ILE 353 HG21 ILE 353 29.163 4.602 15.280 130 HG22 ILE 353 HG22 ILE 353 30.905 4.339 15.169 131 HG23 ILE 353 HG23 ILE 353 30.042 3.933 16.653 132 HD11 ILE 353 HD11 ILE 353 33.050 1.730 15.130 133 HD12 ILE 353 HD12 ILE 353 31.880 0.760 16.022 134 HD13 ILE 353 HD13 ILE 353 31.989 2.497 16.310 135 H MET 354 HN MET 354 26.852 0.938 15.730 136 HA MET 354 HA MET 354 25.444 3.239 16.610 137 HB2 MET 354 HB2 MET 354 23.429 1.882 16.242 138 HB3 MET 354 HB1 MET 354 24.537 1.785 14.874 139 HG2 MET 354 HG2 MET 354 24.317 -0.460 15.112 140 HG3 MET 354 HG1 MET 354 25.434 -0.265 16.462 141 HE1 MET 354 HE1 MET 354 20.892 -0.750 16.517 142 HE2 MET 354 HE2 MET 354 21.986 -1.598 15.428 143 HE3 MET 354 HE3 MET 354 21.856 0.156 15.341 144 H ALA 355 HN ALA 355 26.268 0.149 18.007 145 HA ALA 355 HA ALA 355 24.567 0.301 20.285 146 HB1 ALA 355 HB1 ALA 355 26.528 -1.519 19.190 147 HB2 ALA 355 HB2 ALA 355 25.212 -1.848 20.319 148 HB3 ALA 355 HB3 ALA 355 26.778 -1.309 20.924 149 H LEU 356 HN LEU 356 27.303 2.013 19.391 150 HA LEU 356 HA LEU 356 27.703 2.864 22.179 151 HG LEU 356 HG LEU 356 29.255 2.191 19.094 152 HB2 LEU 356 HB2 LEU 356 30.144 3.023 21.767 153 HB3 LEU 356 HB1 LEU 356 29.554 1.363 21.690 154 HD11 LEU 356 HD11 LEU 356 31.374 3.290 18.473 155 HD12 LEU 356 HD12 LEU 356 31.829 3.378 20.174 156 HD13 LEU 356 HD13 LEU 356 30.449 4.303 19.582 157 HD21 LEU 356 HD21 LEU 356 30.186 0.054 19.752 158 HD22 LEU 356 HD22 LEU 356 31.600 0.839 20.455 159 HD23 LEU 356 HD23 LEU 356 31.359 0.858 18.708 160 H ILE 357 HN ILE 357 26.882 3.674 19.065 161 HA ILE 357 HA ILE 357 28.136 5.976 18.345 162 HB ILE 357 HB ILE 357 25.404 4.955 18.105 163 HG12 ILE 357 HG12 ILE 357 27.004 4.923 16.243 164 HG13 ILE 357 HG11 ILE 357 25.610 5.900 15.819 165 HG21 ILE 357 HG21 ILE 357 25.767 7.963 18.136 166 HG22 ILE 357 HG22 ILE 357 24.675 7.007 19.149 167 HG23 ILE 357 HG23 ILE 357 24.388 7.135 17.419 168 HD11 ILE 357 HD11 ILE 357 27.088 7.516 15.276 169 HD12 ILE 357 HD12 ILE 357 28.410 6.670 16.081 170 HD13 ILE 357 HD13 ILE 357 27.346 7.721 17.008 171 H ALA 358 HN ALA 358 25.907 5.535 21.015 172 HA ALA 358 HA ALA 358 26.165 8.352 21.803 173 HB1 ALA 358 HB1 ALA 358 24.318 8.020 23.185 174 HB2 ALA 358 HB2 ALA 358 24.625 6.292 23.348 175 HB3 ALA 358 HB3 ALA 358 23.978 6.934 21.839 176 H SER 359 HN SER 359 27.293 5.181 22.708 177 HA SER 359 HA SER 359 28.326 6.118 25.274 178 HG SER 359 HG SER 359 29.962 2.965 25.013 179 HB2 SER 359 HB2 SER 359 28.332 3.943 25.853 180 HB3 SER 359 HB1 SER 359 27.430 3.668 24.365 181 H GLY 360 HN GLY 360 29.316 6.474 22.188 182 HA2 GLY 360 HA2 GLY 360 32.181 6.381 22.939 183 HA3 GLY 360 HA1 GLY 360 31.613 5.896 21.345 184 H VAL 361 HN VAL 361 29.549 8.138 21.616 185 HA VAL 361 HA VAL 361 31.238 10.493 21.333 186 HB VAL 361 HB VAL 361 29.873 9.063 19.118 187 HG11 VAL 361 HG11 VAL 361 29.770 11.315 17.878 188 HG12 VAL 361 HG12 VAL 361 29.835 12.071 19.468 189 HG13 VAL 361 HG13 VAL 361 28.490 11.005 19.049 190 HG21 VAL 361 HG21 VAL 361 32.239 10.958 19.272 191 HG22 VAL 361 HG22 VAL 361 31.759 10.029 17.853 192 HG23 VAL 361 HG23 VAL 361 32.330 9.197 19.297 193 H VAL 362 HN VAL 362 30.280 11.991 22.539 194 HA VAL 362 HA VAL 362 27.531 12.707 22.153 195 HB VAL 362 HB VAL 362 27.246 10.739 23.621 196 HG11 VAL 362 HG11 VAL 362 28.493 10.397 25.488 197 HG12 VAL 362 HG12 VAL 362 28.391 12.089 25.974 198 HG13 VAL 362 HG13 VAL 362 29.592 11.584 24.785 199 HG21 VAL 362 HG21 VAL 362 25.763 11.798 25.155 200 HG22 VAL 362 HG22 VAL 362 25.824 12.879 23.764 201 HG23 VAL 362 HG23 VAL 362 26.748 13.260 25.216 202 H MET 363 HN MET 363 27.026 14.706 23.081 203 HA MET 363 HA MET 363 29.136 16.030 24.647 204 HB2 MET 363 HB2 MET 363 27.811 17.374 22.291 205 HB3 MET 363 HB1 MET 363 29.194 17.941 23.228 206 HG2 MET 363 HG2 MET 363 30.289 15.680 22.460 207 HG3 MET 363 HG1 MET 363 29.067 15.738 21.190 208 HE1 MET 363 HE1 MET 363 28.748 18.982 20.822 209 HE2 MET 363 HE2 MET 363 28.616 17.624 19.708 210 HE3 MET 363 HE3 MET 363 29.685 18.971 19.321 211 H ARG 364 HN ARG 364 27.262 18.436 23.655 212 HA ARG 364 HA ARG 364 25.119 17.991 25.634 213 HE ARG 364 HE ARG 364 24.286 18.920 26.944 214 HB2 ARG 364 HB2 ARG 364 27.007 20.338 25.453 215 HB3 ARG 364 HB1 ARG 364 25.446 20.445 26.268 216 HG2 ARG 364 HG2 ARG 364 27.082 18.093 27.003 217 HG3 ARG 364 HG1 ARG 364 27.742 19.651 27.503 218 HD2 ARG 364 HD2 ARG 364 26.138 18.503 29.145 219 HD3 ARG 364 HD1 ARG 364 25.808 20.190 28.764 220 HH11 ARG 364 HH21 ARG 364 24.774 18.447 30.337 221 HH12 ARG 364 HH22 ARG 364 23.178 17.836 30.622 222 HH21 ARG 364 HH11 ARG 364 22.193 18.119 27.310 223 HH22 ARG 364 HH12 ARG 364 21.717 17.651 28.908 224 HA PRO 365 HA PRO 365 23.822 19.811 21.447 225 HB2 PRO 365 HB2 PRO 365 22.084 17.755 20.832 226 HB3 PRO 365 HB1 PRO 365 23.769 17.835 20.285 227 HG2 PRO 365 HG2 PRO 365 22.586 16.308 22.550 228 HG3 PRO 365 HG1 PRO 365 23.846 15.827 21.400 229 HD2 PRO 365 HD2 PRO 365 24.428 16.612 23.923 230 HD3 PRO 365 HD1 PRO 365 25.519 16.947 22.561 231 H LYS 366 HN LYS 366 21.887 17.941 23.786 232 HA LYS 366 HA LYS 366 19.887 18.381 24.825 233 HB2 LYS 366 HB2 LYS 366 20.487 21.281 24.214 234 HB3 LYS 366 HB1 LYS 366 19.476 20.644 25.512 235 HG2 LYS 366 HG2 LYS 366 21.434 19.572 26.538 236 HG3 LYS 366 HG1 LYS 366 22.457 20.156 25.224 237 HD2 LYS 366 HD2 LYS 366 20.838 22.225 26.595 238 HD3 LYS 366 HD1 LYS 366 22.122 21.498 27.563 239 HE2 LYS 366 HE2 LYS 366 23.765 22.024 25.820 240 HE3 LYS 366 HE1 LYS 366 22.493 22.699 24.801 241 HZ1 LYS 366 HZ1 LYS 366 23.093 24.603 25.797 242 HZ2 LYS 366 HZ2 LYS 366 23.793 23.824 27.134 243 HZ3 LYS 366 HZ3 LYS 366 22.111 24.052 27.065 244 H LYS 367 HN LYS 367 20.260 18.445 21.703 245 HA LYS 367 HA LYS 367 18.933 18.756 19.841 246 HB2 LYS 367 HB2 LYS 367 16.739 18.205 21.852 247 HB3 LYS 367 HB1 LYS 367 16.650 17.968 20.107 248 HG2 LYS 367 HG2 LYS 367 18.675 16.407 20.384 249 HG3 LYS 367 HG1 LYS 367 18.319 16.448 22.112 250 HD2 LYS 367 HD2 LYS 367 15.895 15.836 21.410 251 HD3 LYS 367 HD1 LYS 367 16.617 15.370 19.869 252 HE2 LYS 367 HE2 LYS 367 18.329 14.142 21.575 253 HE3 LYS 367 HE1 LYS 367 16.848 14.082 22.532 254 HZ1 LYS 367 HZ1 LYS 367 17.504 12.339 20.582 255 HZ2 LYS 367 HZ2 LYS 367 16.478 13.413 19.756 256 HZ3 LYS 367 HZ3 LYS 367 15.928 12.611 21.149 257 H1 ACE 336 HA2 ACE 336 38.351 8.886 -8.656 258 H2 ACE 336 HA3 ACE 336 38.458 10.583 -8.189 259 H3 ACE 336 HA1 ACE 336 36.889 9.869 -8.560 260 HN1 NH2 368 HN1 NH2 368 16.310 19.839 19.564 261 HN2 NH2 368 HN2 NH2 368 16.364 21.483 19.979 Start of MODEL 27 1 HA LYS 337 HA LYS 337 35.947 8.100 -4.702 2 H1 LYS 337 HN LYS 337 36.318 9.094 -7.335 3 HB2 LYS 337 HB2 LYS 337 35.786 10.249 -3.540 4 HB3 LYS 337 HB1 LYS 337 37.412 10.018 -4.177 5 HG2 LYS 337 HG2 LYS 337 37.143 12.073 -5.096 6 HG3 LYS 337 HG1 LYS 337 36.148 11.240 -6.291 7 HD2 LYS 337 HD2 LYS 337 34.211 11.573 -4.605 8 HD3 LYS 337 HD1 LYS 337 35.262 12.770 -3.850 9 HE2 LYS 337 HE2 LYS 337 35.448 13.976 -5.987 10 HE3 LYS 337 HE1 LYS 337 34.423 12.770 -6.765 11 HZ1 LYS 337 HZ1 LYS 337 32.571 13.496 -5.670 12 HZ2 LYS 337 HZ2 LYS 337 33.411 14.964 -5.831 13 HZ3 LYS 337 HZ3 LYS 337 33.440 14.123 -4.355 14 H SER 338 HN SER 338 33.855 8.770 -3.859 15 HA SER 338 HA SER 338 31.656 9.568 -4.030 16 HG SER 338 HG SER 338 30.332 10.795 -4.923 17 HB2 SER 338 HB2 SER 338 32.501 10.989 -6.060 18 HB3 SER 338 HB1 SER 338 31.825 9.679 -7.023 19 H TYR 339 HN TYR 339 32.942 6.867 -4.365 20 HA TYR 339 HA TYR 339 30.497 5.466 -4.904 21 HD1 TYR 339 HD1 TYR 339 34.238 5.338 -5.439 22 HD2 TYR 339 HD2 TYR 339 31.988 6.393 -8.945 23 HE1 TYR 339 HE1 TYR 339 36.212 6.507 -6.352 24 HE2 TYR 339 HE2 TYR 339 33.972 7.566 -9.858 25 HH TYR 339 HH TYR 339 36.140 8.707 -8.673 26 HB2 TYR 339 HB2 TYR 339 31.875 4.015 -6.696 27 HB3 TYR 339 HB1 TYR 339 30.894 5.399 -7.137 28 H MET 340 HN MET 340 33.109 3.456 -5.671 29 HA MET 340 HA MET 340 32.833 1.876 -3.370 30 HB2 MET 340 HB2 MET 340 34.923 0.767 -4.147 31 HB3 MET 340 HB1 MET 340 33.726 0.952 -5.427 32 HG2 MET 340 HG2 MET 340 35.721 1.664 -6.454 33 HG3 MET 340 HG1 MET 340 34.965 3.177 -5.962 34 HE1 MET 340 HE1 MET 340 38.647 3.653 -5.854 35 HE2 MET 340 HE2 MET 340 37.494 4.861 -5.295 36 HE3 MET 340 HE3 MET 340 37.089 3.840 -6.671 37 H ALA 341 HN ALA 341 34.105 4.892 -3.544 38 HA ALA 341 HA ALA 341 36.262 4.455 -1.610 39 HB1 ALA 341 HB1 ALA 341 35.374 7.127 -2.650 40 HB2 ALA 341 HB2 ALA 341 36.345 6.050 -3.655 41 HB3 ALA 341 HB3 ALA 341 36.977 6.624 -2.112 42 H TYR 342 HN TYR 342 33.090 5.976 -1.882 43 HA TYR 342 HA TYR 342 33.240 6.894 0.886 44 HD1 TYR 342 HD1 TYR 342 29.639 7.351 1.267 45 HD2 TYR 342 HD2 TYR 342 30.799 6.860 -2.838 46 HE1 TYR 342 HE1 TYR 342 27.370 6.514 0.725 47 HE2 TYR 342 HE2 TYR 342 28.533 6.023 -3.381 48 HH TYR 342 HH TYR 342 26.621 4.845 -1.976 49 HB2 TYR 342 HB2 TYR 342 31.685 8.440 0.318 50 HB3 TYR 342 HB1 TYR 342 32.203 8.060 -1.326 51 H LEU 343 HN LEU 343 31.114 4.812 -1.125 52 HA LEU 343 HA LEU 343 29.454 4.040 1.022 53 HG LEU 343 HG LEU 343 31.322 2.627 -1.644 54 HB2 LEU 343 HB2 LEU 343 28.668 2.240 -0.413 55 HB3 LEU 343 HB1 LEU 343 28.820 3.724 -1.346 56 HD11 LEU 343 HD11 LEU 343 30.292 0.557 -0.460 57 HD12 LEU 343 HD12 LEU 343 31.177 0.290 -1.961 58 HD13 LEU 343 HD13 LEU 343 29.414 0.313 -1.969 59 HD21 LEU 343 HD21 LEU 343 28.882 2.102 -3.375 60 HD22 LEU 343 HD22 LEU 343 30.560 2.042 -3.911 61 HD23 LEU 343 HD23 LEU 343 29.848 3.576 -3.415 62 H SER 344 HN SER 344 32.656 3.236 0.262 63 HA SER 344 HA SER 344 32.618 0.687 1.685 64 HG SER 344 HG SER 344 35.851 0.776 1.761 65 HB2 SER 344 HB2 SER 344 34.032 0.950 -0.332 66 HB3 SER 344 HB1 SER 344 34.934 2.225 0.483 67 H ALA 345 HN ALA 345 32.519 3.805 2.584 68 HA ALA 345 HA ALA 345 34.181 3.362 4.995 69 HB1 ALA 345 HB1 ALA 345 35.153 5.118 3.621 70 HB2 ALA 345 HB2 ALA 345 34.448 5.833 5.070 71 HB3 ALA 345 HB3 ALA 345 33.597 5.945 3.528 72 H GLU 346 HN GLU 346 31.171 3.049 4.178 73 HA GLU 346 HA GLU 346 30.165 4.077 6.721 74 HB2 GLU 346 HB2 GLU 346 28.185 5.111 5.583 75 HB3 GLU 346 HB1 GLU 346 29.705 5.950 5.265 76 HG2 GLU 346 HG2 GLU 346 29.562 5.535 3.057 77 HG3 GLU 346 HG1 GLU 346 29.269 3.820 3.342 78 H LEU 347 HN LEU 347 30.477 1.534 6.560 79 HA LEU 347 HA LEU 347 27.794 0.464 6.021 80 HG LEU 347 HG LEU 347 31.178 -0.472 6.125 81 HB2 LEU 347 HB2 LEU 347 28.830 -1.622 5.122 82 HB3 LEU 347 HB1 LEU 347 29.106 -0.210 4.101 83 HD11 LEU 347 HD11 LEU 347 30.837 -2.751 4.153 84 HD12 LEU 347 HD12 LEU 347 30.657 -2.879 5.903 85 HD13 LEU 347 HD13 LEU 347 32.231 -2.500 5.203 86 HD21 LEU 347 HD21 LEU 347 32.613 -0.285 4.119 87 HD22 LEU 347 HD22 LEU 347 31.327 0.921 4.096 88 HD23 LEU 347 HD23 LEU 347 31.199 -0.523 3.091 89 H PHE 348 HN PHE 348 30.021 1.094 8.238 90 HA PHE 348 HA PHE 348 29.240 -1.195 9.929 91 HD1 PHE 348 HD1 PHE 348 31.820 0.912 7.848 92 HD2 PHE 348 HD2 PHE 348 32.896 0.155 11.936 93 HE1 PHE 348 HE1 PHE 348 33.298 2.887 7.816 94 HE2 PHE 348 HE2 PHE 348 34.386 2.136 11.905 95 HZ PHE 348 HZ PHE 348 34.590 3.503 9.847 96 HB2 PHE 348 HB2 PHE 348 31.473 -1.340 10.840 97 HB3 PHE 348 HB1 PHE 348 31.594 -1.453 9.084 98 H HIS 349 HN HIS 349 29.760 2.149 9.469 99 HA HIS 349 HA HIS 349 29.980 2.999 12.168 100 HD2 HIS 349 HD2 HIS 349 28.496 2.769 8.310 101 HE1 HIS 349 HE1 HIS 349 26.330 6.377 7.971 102 HE2 HIS 349 HE2 HIS 349 26.684 4.076 6.957 103 HB2 HIS 349 HB2 HIS 349 29.507 5.209 11.308 104 HB3 HIS 349 HB1 HIS 349 30.562 4.376 10.164 105 H LEU 350 HN LEU 350 27.470 1.486 10.601 106 HA LEU 350 HA LEU 350 25.539 2.475 12.600 107 HG LEU 350 HG LEU 350 26.055 4.228 10.308 108 HB2 LEU 350 HB2 LEU 350 25.009 2.054 9.650 109 HB3 LEU 350 HB1 LEU 350 23.752 2.327 10.854 110 HD11 LEU 350 HD11 LEU 350 23.211 4.126 9.308 111 HD12 LEU 350 HD12 LEU 350 24.695 4.346 8.380 112 HD13 LEU 350 HD13 LEU 350 24.093 5.651 9.403 113 HD21 LEU 350 HD21 LEU 350 25.428 4.941 12.384 114 HD22 LEU 350 HD22 LEU 350 23.878 4.105 12.317 115 HD23 LEU 350 HD23 LEU 350 24.072 5.666 11.524 116 H SER 351 HN SER 351 27.020 0.218 12.990 117 HA SER 351 HA SER 351 26.163 -2.200 11.984 118 HG SER 351 HG SER 351 27.259 -0.475 14.930 119 HB2 SER 351 HB2 SER 351 26.804 -3.163 14.190 120 HB3 SER 351 HB1 SER 351 28.016 -2.057 13.548 121 H GLY 352 HN GLY 352 24.052 -2.567 11.585 122 HA2 GLY 352 HA2 GLY 352 22.248 -3.689 13.133 123 HA3 GLY 352 HA1 GLY 352 22.055 -2.018 13.665 124 H ILE 353 HN ILE 353 22.348 -0.587 11.418 125 HA ILE 353 HA ILE 353 19.960 -1.309 9.880 126 HB ILE 353 HB ILE 353 21.611 1.225 10.023 127 HG12 ILE 353 HG12 ILE 353 18.772 1.319 10.723 128 HG13 ILE 353 HG11 ILE 353 19.677 0.206 11.749 129 HG21 ILE 353 HG21 ILE 353 20.757 1.455 7.900 130 HG22 ILE 353 HG22 ILE 353 19.335 1.979 8.802 131 HG23 ILE 353 HG23 ILE 353 19.436 0.325 8.197 132 HD11 ILE 353 HD11 ILE 353 19.700 2.482 12.697 133 HD12 ILE 353 HD12 ILE 353 20.412 3.099 11.206 134 HD13 ILE 353 HD13 ILE 353 21.325 1.984 12.225 135 H MET 354 HN MET 354 23.401 -1.004 9.647 136 HA MET 354 HA MET 354 23.561 -1.039 6.783 137 HB2 MET 354 HB2 MET 354 25.953 -1.304 7.119 138 HB3 MET 354 HB1 MET 354 25.336 -0.052 8.198 139 HG2 MET 354 HG2 MET 354 26.561 -1.276 9.724 140 HG3 MET 354 HG1 MET 354 25.028 -2.140 9.835 141 HE1 MET 354 HE1 MET 354 25.829 -4.156 10.734 142 HE2 MET 354 HE2 MET 354 27.532 -3.718 10.829 143 HE3 MET 354 HE3 MET 354 27.063 -5.248 10.093 144 H ALA 355 HN ALA 355 23.184 -3.367 9.264 145 HA ALA 355 HA ALA 355 24.234 -5.602 7.763 146 HB1 ALA 355 HB1 ALA 355 22.466 -6.421 9.866 147 HB2 ALA 355 HB2 ALA 355 23.486 -5.109 10.458 148 HB3 ALA 355 HB3 ALA 355 24.222 -6.565 9.788 149 H LEU 356 HN LEU 356 21.479 -3.737 7.601 150 HA LEU 356 HA LEU 356 20.065 -5.875 6.154 151 HG LEU 356 HG LEU 356 19.789 -3.141 8.399 152 HB2 LEU 356 HB2 LEU 356 17.907 -4.971 7.032 153 HB3 LEU 356 HB1 LEU 356 18.913 -5.728 8.261 154 HD11 LEU 356 HD11 LEU 356 18.078 -2.386 6.780 155 HD12 LEU 356 HD12 LEU 356 17.790 -1.698 8.377 156 HD13 LEU 356 HD13 LEU 356 16.814 -3.054 7.811 157 HD21 LEU 356 HD21 LEU 356 17.395 -4.306 9.854 158 HD22 LEU 356 HD22 LEU 356 18.413 -2.989 10.430 159 HD23 LEU 356 HD23 LEU 356 19.079 -4.614 10.277 160 H ILE 357 HN ILE 357 21.464 -2.877 6.086 161 HA ILE 357 HA ILE 357 19.861 -1.140 4.749 162 HB ILE 357 HB ILE 357 22.732 -1.727 4.750 163 HG12 ILE 357 HG12 ILE 357 21.721 0.143 5.996 164 HG13 ILE 357 HG11 ILE 357 22.893 0.736 4.829 165 HG21 ILE 357 HG21 ILE 357 22.559 -1.916 2.352 166 HG22 ILE 357 HG22 ILE 357 23.227 -0.331 2.725 167 HG23 ILE 357 HG23 ILE 357 21.536 -0.477 2.262 168 HD11 ILE 357 HD11 ILE 357 21.274 2.102 4.065 169 HD12 ILE 357 HD12 ILE 357 20.048 1.275 5.023 170 HD13 ILE 357 HD13 ILE 357 20.468 0.671 3.424 171 H ALA 358 HN ALA 358 21.389 -4.030 3.449 172 HA ALA 358 HA ALA 358 20.143 -3.608 0.831 173 HB1 ALA 358 HB1 ALA 358 22.055 -5.708 1.866 174 HB2 ALA 358 HB2 ALA 358 22.424 -4.370 0.777 175 HB3 ALA 358 HB3 ALA 358 21.399 -5.696 0.228 176 H SER 359 HN SER 359 19.763 -5.549 3.706 177 HA SER 359 HA SER 359 18.070 -7.537 2.533 178 HG SER 359 HG SER 359 18.235 -9.338 5.089 179 HB2 SER 359 HB2 SER 359 19.409 -7.636 4.752 180 HB3 SER 359 HB1 SER 359 18.027 -6.792 5.445 181 H GLY 360 HN GLY 360 17.386 -4.766 4.683 182 HA2 GLY 360 HA2 GLY 360 14.562 -4.886 3.829 183 HA3 GLY 360 HA1 GLY 360 15.145 -4.139 5.315 184 H VAL 361 HN VAL 361 15.578 -3.899 1.797 185 HA VAL 361 HA VAL 361 14.694 -1.463 1.161 186 HB VAL 361 HB VAL 361 17.163 -1.157 2.823 187 HG11 VAL 361 HG11 VAL 361 17.646 1.013 1.545 188 HG12 VAL 361 HG12 VAL 361 16.704 0.327 0.225 189 HG13 VAL 361 HG13 VAL 361 18.174 -0.480 0.778 190 HG21 VAL 361 HG21 VAL 361 15.976 0.542 3.781 191 HG22 VAL 361 HG22 VAL 361 14.579 -0.178 2.985 192 HG23 VAL 361 HG23 VAL 361 15.431 1.164 2.227 193 H VAL 362 HN VAL 362 14.680 -1.847 -0.932 194 HA VAL 362 HA VAL 362 17.192 -2.252 -2.353 195 HB VAL 362 HB VAL 362 14.989 -4.307 -2.216 196 HG11 VAL 362 HG11 VAL 362 16.331 -5.374 -4.162 197 HG12 VAL 362 HG12 VAL 362 16.944 -3.745 -4.444 198 HG13 VAL 362 HG13 VAL 362 15.213 -4.068 -4.554 199 HG21 VAL 362 HG21 VAL 362 16.834 -4.688 -0.699 200 HG22 VAL 362 HG22 VAL 362 18.014 -4.384 -1.974 201 HG23 VAL 362 HG23 VAL 362 16.999 -5.823 -2.036 202 H MET 363 HN MET 363 17.031 -1.807 -4.590 203 HA MET 363 HA MET 363 14.443 -0.740 -5.519 204 HB2 MET 363 HB2 MET 363 17.119 0.666 -5.615 205 HB3 MET 363 HB1 MET 363 15.725 1.159 -6.578 206 HG2 MET 363 HG2 MET 363 15.636 0.870 -3.565 207 HG3 MET 363 HG1 MET 363 15.984 2.395 -4.379 208 HE1 MET 363 HE1 MET 363 13.988 2.057 -2.346 209 HE2 MET 363 HE2 MET 363 12.346 2.432 -2.860 210 HE3 MET 363 HE3 MET 363 13.646 3.576 -3.185 211 H ARG 364 HN ARG 364 16.873 0.160 -7.576 212 HA ARG 364 HA ARG 364 17.325 -2.303 -8.974 213 HE ARG 364 HE ARG 364 13.557 -2.242 -11.365 214 HB2 ARG 364 HB2 ARG 364 14.919 -1.796 -9.534 215 HB3 ARG 364 HB1 ARG 364 15.482 -0.323 -10.326 216 HG2 ARG 364 HG2 ARG 364 15.834 -1.557 -12.178 217 HG3 ARG 364 HG1 ARG 364 17.148 -2.354 -11.312 218 HD2 ARG 364 HD2 ARG 364 15.594 -4.037 -12.153 219 HD3 ARG 364 HD1 ARG 364 15.518 -3.990 -10.395 220 HH11 ARG 364 HH21 ARG 364 14.369 -5.605 -11.414 221 HH12 ARG 364 HH22 ARG 364 12.726 -6.141 -11.525 222 HH21 ARG 364 HH11 ARG 364 11.400 -2.938 -11.512 223 HH22 ARG 364 HH12 ARG 364 11.045 -4.632 -11.580 224 HA PRO 365 HA PRO 365 20.005 1.516 -9.790 225 HB2 PRO 365 HB2 PRO 365 22.288 0.473 -8.656 226 HB3 PRO 365 HB1 PRO 365 21.125 1.495 -7.788 227 HG2 PRO 365 HG2 PRO 365 21.427 -1.467 -7.766 228 HG3 PRO 365 HG1 PRO 365 21.059 -0.359 -6.433 229 HD2 PRO 365 HD2 PRO 365 19.152 -1.860 -7.641 230 HD3 PRO 365 HD1 PRO 365 18.806 -0.252 -6.966 231 H LYS 366 HN LYS 366 21.067 -1.897 -9.766 232 HA LYS 366 HA LYS 366 22.083 -3.197 -11.363 233 HB2 LYS 366 HB2 LYS 366 21.155 -1.174 -13.400 234 HB3 LYS 366 HB1 LYS 366 21.426 -2.903 -13.622 235 HG2 LYS 366 HG2 LYS 366 19.590 -3.229 -11.835 236 HG3 LYS 366 HG1 LYS 366 19.188 -1.537 -12.131 237 HD2 LYS 366 HD2 LYS 366 19.274 -3.723 -14.231 238 HD3 LYS 366 HD1 LYS 366 17.813 -3.012 -13.545 239 HE2 LYS 366 HE2 LYS 366 18.907 -0.744 -14.325 240 HE3 LYS 366 HE1 LYS 366 19.814 -1.790 -15.419 241 HZ1 LYS 366 HZ1 LYS 366 17.307 -0.830 -15.849 242 HZ2 LYS 366 HZ2 LYS 366 17.022 -2.423 -15.332 243 HZ3 LYS 366 HZ3 LYS 366 18.025 -2.130 -16.671 244 H LYS 367 HN LYS 367 23.074 -0.203 -10.536 245 HA LYS 367 HA LYS 367 25.022 0.990 -10.784 246 HB2 LYS 367 HB2 LYS 367 26.289 -1.478 -11.940 247 HB3 LYS 367 HB1 LYS 367 26.996 -0.262 -10.876 248 HG2 LYS 367 HG2 LYS 367 25.257 -1.032 -9.135 249 HG3 LYS 367 HG1 LYS 367 25.026 -2.438 -10.175 250 HD2 LYS 367 HD2 LYS 367 27.557 -2.759 -10.081 251 HD3 LYS 367 HD1 LYS 367 27.564 -1.562 -8.783 252 HE2 LYS 367 HE2 LYS 367 27.239 -3.373 -7.439 253 HE3 LYS 367 HE1 LYS 367 25.559 -3.211 -7.946 254 HZ1 LYS 367 HZ1 LYS 367 25.790 -5.282 -8.695 255 HZ2 LYS 367 HZ2 LYS 367 27.486 -5.235 -8.609 256 HZ3 LYS 367 HZ3 LYS 367 26.683 -4.611 -9.971 257 H1 ACE 336 HA2 ACE 336 38.333 9.084 -8.406 258 H2 ACE 336 HA3 ACE 336 38.587 7.359 -8.133 259 H3 ACE 336 HA1 ACE 336 39.768 8.530 -7.544 260 HN1 NH2 368 HN1 NH2 368 23.418 1.651 -12.856 261 HN2 NH2 368 HN2 NH2 368 24.268 1.681 -14.324 Start of MODEL 28 1 HA LYS 337 HA LYS 337 36.713 8.433 -4.734 2 H1 LYS 337 HN LYS 337 35.643 10.057 -6.861 3 HB2 LYS 337 HB2 LYS 337 36.667 10.429 -3.110 4 HB3 LYS 337 HB1 LYS 337 38.060 10.288 -4.181 5 HG2 LYS 337 HG2 LYS 337 37.296 12.597 -4.211 6 HG3 LYS 337 HG1 LYS 337 36.933 11.876 -5.771 7 HD2 LYS 337 HD2 LYS 337 34.653 11.786 -5.359 8 HD3 LYS 337 HD1 LYS 337 34.855 11.814 -3.606 9 HE2 LYS 337 HE2 LYS 337 35.634 14.166 -3.766 10 HE3 LYS 337 HE1 LYS 337 35.375 14.111 -5.510 11 HZ1 LYS 337 HZ1 LYS 337 33.168 14.279 -5.273 12 HZ2 LYS 337 HZ2 LYS 337 33.533 14.897 -3.733 13 HZ3 LYS 337 HZ3 LYS 337 33.119 13.261 -3.917 14 H SER 338 HN SER 338 34.221 9.155 -6.436 15 HA SER 338 HA SER 338 32.324 9.371 -4.181 16 HG SER 338 HG SER 338 30.586 10.334 -4.489 17 HB2 SER 338 HB2 SER 338 32.484 11.261 -5.938 18 HB3 SER 338 HB1 SER 338 31.676 10.127 -7.015 19 H TYR 339 HN TYR 339 32.741 6.947 -4.181 20 HA TYR 339 HA TYR 339 30.488 5.608 -5.122 21 HD1 TYR 339 HD1 TYR 339 34.148 5.591 -5.246 22 HD2 TYR 339 HD2 TYR 339 32.506 6.039 -9.190 23 HE1 TYR 339 HE1 TYR 339 36.288 6.522 -6.019 24 HE2 TYR 339 HE2 TYR 339 34.664 6.976 -9.971 25 HH TYR 339 HH TYR 339 37.081 6.840 -9.270 26 HB2 TYR 339 HB2 TYR 339 31.862 4.105 -6.826 27 HB3 TYR 339 HB1 TYR 339 31.065 5.582 -7.337 28 H MET 340 HN MET 340 33.181 3.640 -5.753 29 HA MET 340 HA MET 340 32.728 1.947 -3.541 30 HB2 MET 340 HB2 MET 340 34.789 0.816 -4.262 31 HB3 MET 340 HB1 MET 340 33.754 1.181 -5.644 32 HG2 MET 340 HG2 MET 340 35.284 3.471 -5.406 33 HG3 MET 340 HG1 MET 340 36.431 2.194 -5.002 34 HE1 MET 340 HE1 MET 340 35.157 4.202 -8.042 35 HE2 MET 340 HE2 MET 340 36.604 3.549 -8.802 36 HE3 MET 340 HE3 MET 340 36.683 4.149 -7.148 37 H ALA 341 HN ALA 341 34.067 4.956 -3.581 38 HA ALA 341 HA ALA 341 36.091 4.443 -1.530 39 HB1 ALA 341 HB1 ALA 341 36.762 5.987 -3.240 40 HB2 ALA 341 HB2 ALA 341 36.488 6.923 -1.770 41 HB3 ALA 341 HB3 ALA 341 35.277 6.922 -3.054 42 H TYR 342 HN TYR 342 32.891 5.805 -1.925 43 HA TYR 342 HA TYR 342 32.905 6.803 0.831 44 HD1 TYR 342 HD1 TYR 342 29.195 6.992 0.976 45 HD2 TYR 342 HD2 TYR 342 30.732 6.589 -3.012 46 HE1 TYR 342 HE1 TYR 342 27.053 5.974 0.255 47 HE2 TYR 342 HE2 TYR 342 28.593 5.570 -3.735 48 HH TYR 342 HH TYR 342 25.865 5.849 -2.355 49 HB2 TYR 342 HB2 TYR 342 31.226 8.216 0.215 50 HB3 TYR 342 HB1 TYR 342 31.893 7.921 -1.393 51 H LEU 343 HN LEU 343 31.015 4.562 -1.225 52 HA LEU 343 HA LEU 343 29.283 3.702 0.828 53 HG LEU 343 HG LEU 343 31.427 2.025 -1.508 54 HB2 LEU 343 HB2 LEU 343 28.572 2.004 -0.644 55 HB3 LEU 343 HB1 LEU 343 29.063 3.322 -1.701 56 HD11 LEU 343 HD11 LEU 343 29.956 0.236 -0.136 57 HD12 LEU 343 HD12 LEU 343 31.256 -0.262 -1.213 58 HD13 LEU 343 HD13 LEU 343 29.585 -0.315 -1.768 59 HD21 LEU 343 HD21 LEU 343 29.086 1.544 -3.360 60 HD22 LEU 343 HD22 LEU 343 30.676 0.844 -3.657 61 HD23 LEU 343 HD23 LEU 343 30.475 2.594 -3.620 62 H SER 344 HN SER 344 32.580 3.009 0.174 63 HA SER 344 HA SER 344 32.615 0.554 1.739 64 HG SER 344 HG SER 344 33.111 0.800 -0.687 65 HB2 SER 344 HB2 SER 344 34.849 2.168 0.489 66 HB3 SER 344 HB1 SER 344 35.057 0.621 1.304 67 H ALA 345 HN ALA 345 32.326 3.706 2.495 68 HA ALA 345 HA ALA 345 33.948 3.472 4.962 69 HB1 ALA 345 HB1 ALA 345 33.120 5.927 3.399 70 HB2 ALA 345 HB2 ALA 345 34.756 5.297 3.597 71 HB3 ALA 345 HB3 ALA 345 33.898 5.974 4.982 72 H GLU 346 HN GLU 346 30.921 3.037 3.943 73 HA GLU 346 HA GLU 346 29.787 3.947 6.502 74 HB2 GLU 346 HB2 GLU 346 27.710 4.641 5.260 75 HB3 GLU 346 HB1 GLU 346 29.114 5.668 4.962 76 HG2 GLU 346 HG2 GLU 346 29.194 5.104 2.777 77 HG3 GLU 346 HG1 GLU 346 28.979 3.392 3.132 78 H LEU 347 HN LEU 347 30.410 1.476 6.510 79 HA LEU 347 HA LEU 347 27.905 0.020 5.984 80 HG LEU 347 HG LEU 347 31.388 -0.245 6.110 81 HB2 LEU 347 HB2 LEU 347 29.247 -1.949 5.242 82 HB3 LEU 347 HB1 LEU 347 29.366 -0.577 4.139 83 HD11 LEU 347 HD11 LEU 347 32.700 -2.328 5.715 84 HD12 LEU 347 HD12 LEU 347 31.308 -3.017 4.878 85 HD13 LEU 347 HD13 LEU 347 31.203 -2.636 6.596 86 HD21 LEU 347 HD21 LEU 347 32.866 -0.523 4.107 87 HD22 LEU 347 HD22 LEU 347 31.516 0.573 3.814 88 HD23 LEU 347 HD23 LEU 347 31.465 -1.076 3.192 89 H PHE 348 HN PHE 348 29.999 1.082 8.202 90 HA PHE 348 HA PHE 348 29.350 -1.093 10.062 91 HD1 PHE 348 HD1 PHE 348 31.590 1.829 9.177 92 HD2 PHE 348 HD2 PHE 348 33.187 -2.038 8.214 93 HE1 PHE 348 HE1 PHE 348 32.949 2.847 7.386 94 HE2 PHE 348 HE2 PHE 348 34.555 -1.020 6.414 95 HZ PHE 348 HZ PHE 348 34.439 1.423 5.998 96 HB2 PHE 348 HB2 PHE 348 31.878 -0.525 10.875 97 HB3 PHE 348 HB1 PHE 348 31.474 -1.868 9.806 98 H HIS 349 HN HIS 349 29.472 2.140 9.322 99 HA HIS 349 HA HIS 349 30.233 3.380 11.710 100 HD2 HIS 349 HD2 HIS 349 28.009 3.065 7.815 101 HE1 HIS 349 HE1 HIS 349 24.511 4.810 9.409 102 HE2 HIS 349 HE2 HIS 349 25.438 3.410 7.504 103 HB2 HIS 349 HB2 HIS 349 29.010 5.309 10.916 104 HB3 HIS 349 HB1 HIS 349 29.806 4.542 9.543 105 H LEU 350 HN LEU 350 27.023 2.286 10.631 106 HA LEU 350 HA LEU 350 25.321 3.032 12.537 107 HG LEU 350 HG LEU 350 26.901 0.120 11.251 108 HB2 LEU 350 HB2 LEU 350 24.481 0.515 12.433 109 HB3 LEU 350 HB1 LEU 350 24.323 1.583 11.041 110 HD11 LEU 350 HD11 LEU 350 25.841 -1.947 10.299 111 HD12 LEU 350 HD12 LEU 350 24.267 -1.272 10.716 112 HD13 LEU 350 HD13 LEU 350 25.428 -1.652 11.988 113 HD21 LEU 350 HD21 LEU 350 25.002 0.179 8.917 114 HD22 LEU 350 HD22 LEU 350 26.766 0.150 8.910 115 HD23 LEU 350 HD23 LEU 350 25.911 1.629 9.340 116 H SER 351 HN SER 351 27.532 0.257 12.931 117 HA SER 351 HA SER 351 26.779 -0.469 15.505 118 HG SER 351 HG SER 351 27.252 -2.409 14.763 119 HB2 SER 351 HB2 SER 351 29.381 -0.714 14.021 120 HB3 SER 351 HB1 SER 351 29.195 -1.327 15.662 121 H GLY 352 HN GLY 352 26.383 1.741 16.440 122 HA2 GLY 352 HA2 GLY 352 27.651 2.496 18.563 123 HA3 GLY 352 HA1 GLY 352 28.858 3.034 17.394 124 H ILE 353 HN ILE 353 27.009 3.767 15.371 125 HA ILE 353 HA ILE 353 26.112 6.326 16.466 126 HB ILE 353 HB ILE 353 26.637 5.295 13.689 127 HG12 ILE 353 HG12 ILE 353 27.665 7.897 14.647 128 HG13 ILE 353 HG11 ILE 353 28.256 6.500 15.548 129 HG21 ILE 353 HG21 ILE 353 24.977 7.619 14.600 130 HG22 ILE 353 HG22 ILE 353 24.760 6.570 13.198 131 HG23 ILE 353 HG23 ILE 353 25.998 7.824 13.176 132 HD11 ILE 353 HD11 ILE 353 29.738 6.994 13.649 133 HD12 ILE 353 HD12 ILE 353 28.376 6.843 12.541 134 HD13 ILE 353 HD13 ILE 353 28.949 5.432 13.431 135 H MET 354 HN MET 354 24.937 3.357 15.086 136 HA MET 354 HA MET 354 22.330 4.244 14.442 137 HB2 MET 354 HB2 MET 354 21.763 1.930 14.143 138 HB3 MET 354 HB1 MET 354 23.363 2.218 13.476 139 HG2 MET 354 HG2 MET 354 23.970 0.413 14.723 140 HG3 MET 354 HG1 MET 354 23.971 1.551 16.066 141 HE1 MET 354 HE1 MET 354 20.790 -1.528 14.920 142 HE2 MET 354 HE2 MET 354 22.515 -1.620 14.579 143 HE3 MET 354 HE3 MET 354 21.536 -0.382 13.797 144 H ALA 355 HN ALA 355 23.813 2.928 17.315 145 HA ALA 355 HA ALA 355 21.425 2.321 18.736 146 HB1 ALA 355 HB1 ALA 355 24.262 2.176 19.175 147 HB2 ALA 355 HB2 ALA 355 22.967 1.324 20.019 148 HB3 ALA 355 HB3 ALA 355 23.487 2.917 20.576 149 H LEU 356 HN LEU 356 23.069 5.222 18.006 150 HA LEU 356 HA LEU 356 21.461 6.671 20.023 151 HG LEU 356 HG LEU 356 24.399 6.573 17.956 152 HB2 LEU 356 HB2 LEU 356 23.197 8.396 20.038 153 HB3 LEU 356 HB1 LEU 356 23.877 6.831 20.462 154 HD11 LEU 356 HD11 LEU 356 23.418 9.362 18.040 155 HD12 LEU 356 HD12 LEU 356 23.584 8.266 16.675 156 HD13 LEU 356 HD13 LEU 356 24.982 9.165 17.254 157 HD21 LEU 356 HD21 LEU 356 26.532 7.833 18.241 158 HD22 LEU 356 HD22 LEU 356 26.122 6.865 19.657 159 HD23 LEU 356 HD23 LEU 356 25.849 8.607 19.670 160 H ILE 357 HN ILE 357 21.921 6.017 16.752 161 HA ILE 357 HA ILE 357 21.623 8.252 15.262 162 HB ILE 357 HB ILE 357 20.555 5.540 15.077 163 HG12 ILE 357 HG12 ILE 357 21.387 7.554 12.963 164 HG13 ILE 357 HG11 ILE 357 22.502 6.500 13.824 165 HG21 ILE 357 HG21 ILE 357 18.871 6.082 13.298 166 HG22 ILE 357 HG22 ILE 357 18.986 7.777 13.746 167 HG23 ILE 357 HG23 ILE 357 18.362 6.592 14.900 168 HD11 ILE 357 HD11 ILE 357 20.512 4.776 12.878 169 HD12 ILE 357 HD12 ILE 357 22.136 4.964 12.219 170 HD13 ILE 357 HD13 ILE 357 20.800 5.897 11.548 171 H ALA 358 HN ALA 358 19.085 6.830 17.270 172 HA ALA 358 HA ALA 358 17.299 9.084 16.725 173 HB1 ALA 358 HB1 ALA 358 15.593 7.770 17.537 174 HB2 ALA 358 HB2 ALA 358 16.629 6.966 18.715 175 HB3 ALA 358 HB3 ALA 358 16.707 6.508 17.013 176 H SER 359 HN SER 359 19.442 7.900 19.198 177 HA SER 359 HA SER 359 18.382 9.663 21.251 178 HG SER 359 HG SER 359 19.564 7.714 23.499 179 HB2 SER 359 HB2 SER 359 19.667 7.303 21.417 180 HB3 SER 359 HB1 SER 359 21.043 8.391 21.585 181 H GLY 360 HN GLY 360 20.162 10.192 18.557 182 HA2 GLY 360 HA2 GLY 360 21.470 12.546 19.761 183 HA3 GLY 360 HA1 GLY 360 22.394 11.482 18.705 184 H VAL 361 HN VAL 361 19.037 12.634 18.465 185 HA VAL 361 HA VAL 361 19.572 14.490 16.366 186 HB VAL 361 HB VAL 361 19.812 12.109 15.322 187 HG11 VAL 361 HG11 VAL 361 16.823 12.365 15.087 188 HG12 VAL 361 HG12 VAL 361 17.532 11.509 16.456 189 HG13 VAL 361 HG13 VAL 361 17.839 10.950 14.812 190 HG21 VAL 361 HG21 VAL 361 18.381 14.534 14.343 191 HG22 VAL 361 HG22 VAL 361 18.255 13.081 13.350 192 HG23 VAL 361 HG23 VAL 361 19.840 13.762 13.720 193 H VAL 362 HN VAL 362 17.890 13.631 18.886 194 HA VAL 362 HA VAL 362 15.177 13.698 18.314 195 HB VAL 362 HB VAL 362 16.685 14.881 20.654 196 HG11 VAL 362 HG11 VAL 362 14.248 14.403 21.652 197 HG12 VAL 362 HG12 VAL 362 13.778 14.748 19.988 198 HG13 VAL 362 HG13 VAL 362 14.662 15.954 20.923 199 HG21 VAL 362 HG21 VAL 362 16.160 12.817 21.757 200 HG22 VAL 362 HG22 VAL 362 16.791 12.376 20.170 201 HG23 VAL 362 HG23 VAL 362 15.053 12.337 20.471 202 H MET 363 HN MET 363 16.844 16.559 19.610 203 HA MET 363 HA MET 363 16.446 18.802 19.283 204 HB2 MET 363 HB2 MET 363 16.050 17.979 16.402 205 HB3 MET 363 HB1 MET 363 16.599 19.543 17.005 206 HG2 MET 363 HG2 MET 363 18.504 18.133 18.132 207 HG3 MET 363 HG1 MET 363 18.074 16.927 16.920 208 HE1 MET 363 HE1 MET 363 17.049 19.266 14.571 209 HE2 MET 363 HE2 MET 363 17.528 17.570 14.563 210 HE3 MET 363 HE3 MET 363 18.425 18.736 13.593 211 H ARG 364 HN ARG 364 14.772 19.809 17.023 212 HA ARG 364 HA ARG 364 12.086 18.945 17.822 213 HE ARG 364 HE ARG 364 11.673 22.254 20.667 214 HB2 ARG 364 HB2 ARG 364 12.916 20.933 19.243 215 HB3 ARG 364 HB1 ARG 364 12.759 21.880 17.764 216 HG2 ARG 364 HG2 ARG 364 10.606 22.163 18.443 217 HG3 ARG 364 HG1 ARG 364 10.374 20.541 17.790 218 HD2 ARG 364 HD2 ARG 364 9.489 20.623 20.059 219 HD3 ARG 364 HD1 ARG 364 10.918 19.596 20.028 220 HH11 ARG 364 HH21 ARG 364 10.009 19.495 21.927 221 HH12 ARG 364 HH22 ARG 364 10.375 19.855 23.581 222 HH21 ARG 364 HH11 ARG 364 12.157 22.735 22.833 223 HH22 ARG 364 HH12 ARG 364 11.592 21.690 24.094 224 HA PRO 365 HA PRO 365 12.447 19.923 13.328 225 HB2 PRO 365 HB2 PRO 365 11.909 17.459 12.358 226 HB3 PRO 365 HB1 PRO 365 13.530 17.915 12.918 227 HG2 PRO 365 HG2 PRO 365 11.466 16.256 14.255 228 HG3 PRO 365 HG1 PRO 365 13.230 16.109 14.286 229 HD2 PRO 365 HD2 PRO 365 11.651 17.268 16.288 230 HD3 PRO 365 HD1 PRO 365 13.409 17.466 16.111 231 H LYS 366 HN LYS 366 10.055 18.006 15.089 232 HA LYS 366 HA LYS 366 7.766 17.887 14.961 233 HB2 LYS 366 HB2 LYS 366 8.034 20.598 13.637 234 HB3 LYS 366 HB1 LYS 366 6.584 19.940 14.397 235 HG2 LYS 366 HG2 LYS 366 7.273 20.645 16.418 236 HG3 LYS 366 HG1 LYS 366 8.792 19.765 16.239 237 HD2 LYS 366 HD2 LYS 366 9.228 22.166 16.541 238 HD3 LYS 366 HD1 LYS 366 9.719 21.651 14.927 239 HE2 LYS 366 HE2 LYS 366 8.284 23.100 13.977 240 HE3 LYS 366 HE1 LYS 366 6.940 22.425 14.898 241 HZ1 LYS 366 HZ1 LYS 366 7.060 24.621 15.595 242 HZ2 LYS 366 HZ2 LYS 366 8.759 24.630 15.637 243 HZ3 LYS 366 HZ3 LYS 366 7.881 23.785 16.820 244 H LYS 367 HN LYS 367 9.018 16.463 13.005 245 HA LYS 367 HA LYS 367 8.495 16.967 10.347 246 HB2 LYS 367 HB2 LYS 367 8.398 14.358 11.870 247 HB3 LYS 367 HB1 LYS 367 8.306 14.457 10.111 248 HG2 LYS 367 HG2 LYS 367 10.479 15.529 9.999 249 HG3 LYS 367 HG1 LYS 367 10.558 15.639 11.758 250 HD2 LYS 367 HD2 LYS 367 10.100 12.926 10.640 251 HD3 LYS 367 HD1 LYS 367 11.698 13.621 10.366 252 HE2 LYS 367 HE2 LYS 367 12.015 13.982 12.742 253 HE3 LYS 367 HE1 LYS 367 10.356 13.486 13.079 254 HZ1 LYS 367 HZ1 LYS 367 11.187 11.456 13.336 255 HZ2 LYS 367 HZ2 LYS 367 12.683 11.880 12.650 256 HZ3 LYS 367 HZ3 LYS 367 11.391 11.412 11.652 257 H1 ACE 336 HA2 ACE 336 37.861 10.845 -8.615 258 H2 ACE 336 HA3 ACE 336 36.580 9.670 -8.916 259 H3 ACE 336 HA1 ACE 336 38.270 9.176 -9.011 260 HN1 NH2 368 HN1 NH2 368 6.381 14.498 11.804 261 HN2 NH2 368 HN2 NH2 368 4.935 15.160 11.214 Start of MODEL 29 1 HA LYS 337 HA LYS 337 36.604 8.110 -4.581 2 H1 LYS 337 HN LYS 337 35.900 9.835 -6.725 3 HB2 LYS 337 HB2 LYS 337 37.023 9.649 -2.815 4 HB3 LYS 337 HB1 LYS 337 38.096 10.108 -4.134 5 HG2 LYS 337 HG2 LYS 337 35.493 11.448 -3.339 6 HG3 LYS 337 HG1 LYS 337 37.112 12.131 -3.271 7 HD2 LYS 337 HD2 LYS 337 37.202 11.746 -5.813 8 HD3 LYS 337 HD1 LYS 337 35.455 11.509 -5.716 9 HE2 LYS 337 HE2 LYS 337 35.679 13.812 -6.172 10 HE3 LYS 337 HE1 LYS 337 35.433 13.755 -4.427 11 HZ1 LYS 337 HZ1 LYS 337 37.406 15.097 -5.496 12 HZ2 LYS 337 HZ2 LYS 337 38.175 13.583 -5.427 13 HZ3 LYS 337 HZ3 LYS 337 37.581 14.303 -4.008 14 H SER 338 HN SER 338 34.373 8.983 -6.440 15 HA SER 338 HA SER 338 32.291 9.441 -4.385 16 HG SER 338 HG SER 338 30.092 10.665 -6.502 17 HB2 SER 338 HB2 SER 338 32.686 11.172 -6.280 18 HB3 SER 338 HB1 SER 338 31.897 9.985 -7.312 19 H TYR 339 HN TYR 339 32.767 6.944 -4.294 20 HA TYR 339 HA TYR 339 30.484 5.616 -5.161 21 HD1 TYR 339 HD1 TYR 339 34.163 5.512 -5.451 22 HD2 TYR 339 HD2 TYR 339 32.253 6.169 -9.243 23 HE1 TYR 339 HE1 TYR 339 36.220 6.575 -6.298 24 HE2 TYR 339 HE2 TYR 339 34.325 7.232 -10.095 25 HH TYR 339 HH TYR 339 37.240 7.471 -8.056 26 HB2 TYR 339 HB2 TYR 339 31.863 4.062 -6.867 27 HB3 TYR 339 HB1 TYR 339 30.968 5.481 -7.382 28 H MET 340 HN MET 340 33.155 3.590 -5.796 29 HA MET 340 HA MET 340 32.695 1.974 -3.529 30 HB2 MET 340 HB2 MET 340 34.712 0.767 -4.236 31 HB3 MET 340 HB1 MET 340 33.676 1.121 -5.619 32 HG2 MET 340 HG2 MET 340 35.763 1.781 -6.425 33 HG3 MET 340 HG1 MET 340 35.129 3.301 -5.796 34 HE1 MET 340 HE1 MET 340 38.099 3.451 -6.163 35 HE2 MET 340 HE2 MET 340 38.533 4.123 -4.594 36 HE3 MET 340 HE3 MET 340 37.022 4.602 -5.362 37 H ALA 341 HN ALA 341 34.098 4.951 -3.681 38 HA ALA 341 HA ALA 341 36.142 4.465 -1.645 39 HB1 ALA 341 HB1 ALA 341 36.720 6.807 -1.974 40 HB2 ALA 341 HB2 ALA 341 35.287 7.043 -2.975 41 HB3 ALA 341 HB3 ALA 341 36.597 6.006 -3.540 42 H TYR 342 HN TYR 342 32.942 5.833 -2.012 43 HA TYR 342 HA TYR 342 32.998 6.860 0.732 44 HD1 TYR 342 HD1 TYR 342 29.307 7.136 0.924 45 HD2 TYR 342 HD2 TYR 342 30.770 6.636 -3.081 46 HE1 TYR 342 HE1 TYR 342 27.131 6.157 0.252 47 HE2 TYR 342 HE2 TYR 342 28.595 5.656 -3.755 48 HH TYR 342 HH TYR 342 26.008 5.115 -1.372 49 HB2 TYR 342 HB2 TYR 342 31.350 8.302 0.113 50 HB3 TYR 342 HB1 TYR 342 31.986 7.966 -1.500 51 H LEU 343 HN LEU 343 31.053 4.628 -1.285 52 HA LEU 343 HA LEU 343 29.319 3.827 0.790 53 HG LEU 343 HG LEU 343 31.411 2.071 -1.537 54 HB2 LEU 343 HB2 LEU 343 28.563 2.128 -0.656 55 HB3 LEU 343 HB1 LEU 343 29.074 3.421 -1.734 56 HD11 LEU 343 HD11 LEU 343 29.916 0.336 -0.135 57 HD12 LEU 343 HD12 LEU 343 31.182 -0.211 -1.230 58 HD13 LEU 343 HD13 LEU 343 29.500 -0.219 -1.755 59 HD21 LEU 343 HD21 LEU 343 29.052 1.611 -3.374 60 HD22 LEU 343 HD22 LEU 343 30.634 0.897 -3.672 61 HD23 LEU 343 HD23 LEU 343 30.448 2.647 -3.647 62 H SER 344 HN SER 344 32.607 3.109 0.180 63 HA SER 344 HA SER 344 32.599 0.651 1.750 64 HG SER 344 HG SER 344 33.636 -0.370 0.055 65 HB2 SER 344 HB2 SER 344 34.756 2.216 0.334 66 HB3 SER 344 HB1 SER 344 35.121 0.849 1.384 67 H ALA 345 HN ALA 345 32.373 3.822 2.465 68 HA ALA 345 HA ALA 345 33.954 3.577 4.957 69 HB1 ALA 345 HB1 ALA 345 34.824 5.359 3.554 70 HB2 ALA 345 HB2 ALA 345 34.005 6.068 4.945 71 HB3 ALA 345 HB3 ALA 345 33.209 6.045 3.371 72 H GLU 346 HN GLU 346 30.983 3.066 4.000 73 HA GLU 346 HA GLU 346 29.815 4.078 6.490 74 HB2 GLU 346 HB2 GLU 346 27.785 4.846 5.224 75 HB3 GLU 346 HB1 GLU 346 29.227 5.821 4.932 76 HG2 GLU 346 HG2 GLU 346 29.276 5.263 2.747 77 HG3 GLU 346 HG1 GLU 346 29.052 3.552 3.107 78 H LEU 347 HN LEU 347 30.359 1.592 6.509 79 HA LEU 347 HA LEU 347 27.823 0.211 5.929 80 HG LEU 347 HG LEU 347 31.294 -0.152 6.124 81 HB2 LEU 347 HB2 LEU 347 29.133 -1.798 5.220 82 HB3 LEU 347 HB1 LEU 347 29.292 -0.432 4.114 83 HD11 LEU 347 HD11 LEU 347 32.571 -2.237 5.756 84 HD12 LEU 347 HD12 LEU 347 31.234 -2.885 4.806 85 HD13 LEU 347 HD13 LEU 347 31.021 -2.570 6.529 86 HD21 LEU 347 HD21 LEU 347 31.456 0.710 3.844 87 HD22 LEU 347 HD22 LEU 347 31.398 -0.928 3.192 88 HD23 LEU 347 HD23 LEU 347 32.792 -0.404 4.137 89 H PHE 348 HN PHE 348 29.924 1.194 8.190 90 HA PHE 348 HA PHE 348 29.185 -0.987 10.018 91 HD1 PHE 348 HD1 PHE 348 31.425 1.949 9.229 92 HD2 PHE 348 HD2 PHE 348 33.084 -1.897 8.284 93 HE1 PHE 348 HE1 PHE 348 32.824 2.991 7.485 94 HE2 PHE 348 HE2 PHE 348 34.493 -0.853 6.530 95 HZ PHE 348 HZ PHE 348 34.365 1.590 6.129 96 HB2 PHE 348 HB2 PHE 348 31.684 -0.418 10.916 97 HB3 PHE 348 HB1 PHE 348 31.318 -1.753 9.823 98 H HIS 349 HN HIS 349 29.264 2.239 9.313 99 HA HIS 349 HA HIS 349 29.953 3.440 11.765 100 HD2 HIS 349 HD2 HIS 349 27.944 3.235 7.751 101 HE1 HIS 349 HE1 HIS 349 24.460 5.183 9.125 102 HE2 HIS 349 HE2 HIS 349 25.423 3.728 7.280 103 HB2 HIS 349 HB2 HIS 349 28.864 5.417 10.929 104 HB3 HIS 349 HB1 HIS 349 29.710 4.639 9.594 105 H LEU 350 HN LEU 350 27.680 1.198 11.412 106 HA LEU 350 HA LEU 350 25.798 2.433 13.308 107 HG LEU 350 HG LEU 350 26.518 -0.060 10.824 108 HB2 LEU 350 HB2 LEU 350 24.472 0.242 12.434 109 HB3 LEU 350 HB1 LEU 350 24.329 1.824 11.672 110 HD11 LEU 350 HD11 LEU 350 24.494 -1.405 10.680 111 HD12 LEU 350 HD12 LEU 350 24.962 -0.898 9.057 112 HD13 LEU 350 HD13 LEU 350 23.636 -0.083 9.886 113 HD21 LEU 350 HD21 LEU 350 25.932 2.505 10.138 114 HD22 LEU 350 HD22 LEU 350 24.991 1.634 8.929 115 HD23 LEU 350 HD23 LEU 350 26.731 1.369 9.052 116 H SER 351 HN SER 351 26.623 -0.904 12.410 117 HA SER 351 HA SER 351 26.125 -2.149 14.779 118 HG SER 351 HG SER 351 29.464 -3.035 13.764 119 HB2 SER 351 HB2 SER 351 27.524 -3.925 14.064 120 HB3 SER 351 HB1 SER 351 26.911 -3.180 12.590 121 H GLY 352 HN GLY 352 26.646 -0.675 16.513 122 HA2 GLY 352 HA2 GLY 352 28.365 -1.086 18.349 123 HA3 GLY 352 HA1 GLY 352 29.533 -0.520 17.153 124 H ILE 353 HN ILE 353 28.078 1.444 15.937 125 HA ILE 353 HA ILE 353 28.081 3.535 17.986 126 HB ILE 353 HB ILE 353 28.091 3.575 14.965 127 HG12 ILE 353 HG12 ILE 353 30.219 4.923 16.469 128 HG13 ILE 353 HG11 ILE 353 30.132 3.191 16.797 129 HG21 ILE 353 HG21 ILE 353 28.665 6.117 15.667 130 HG22 ILE 353 HG22 ILE 353 27.568 5.698 16.982 131 HG23 ILE 353 HG23 ILE 353 27.025 5.577 15.310 132 HD11 ILE 353 HD11 ILE 353 31.610 3.662 14.871 133 HD12 ILE 353 HD12 ILE 353 30.266 4.446 14.040 134 HD13 ILE 353 HD13 ILE 353 30.202 2.717 14.384 135 H MET 354 HN MET 354 26.015 1.587 16.146 136 HA MET 354 HA MET 354 23.771 3.297 15.870 137 HB2 MET 354 HB2 MET 354 22.546 1.241 15.327 138 HB3 MET 354 HB1 MET 354 24.065 1.347 14.442 139 HG2 MET 354 HG2 MET 354 24.248 -0.816 15.219 140 HG3 MET 354 HG1 MET 354 24.973 0.033 16.582 141 HE1 MET 354 HE1 MET 354 23.032 -2.895 16.078 142 HE2 MET 354 HE2 MET 354 22.721 -3.036 17.806 143 HE3 MET 354 HE3 MET 354 24.322 -2.564 17.242 144 H ALA 355 HN ALA 355 24.744 0.835 18.181 145 HA ALA 355 HA ALA 355 22.387 0.787 19.732 146 HB1 ALA 355 HB1 ALA 355 24.546 0.161 21.417 147 HB2 ALA 355 HB2 ALA 355 25.025 -0.383 19.808 148 HB3 ALA 355 HB3 ALA 355 23.527 -0.971 20.529 149 H LEU 356 HN LEU 356 24.658 3.209 19.303 150 HA LEU 356 HA LEU 356 23.754 4.523 21.778 151 HG LEU 356 HG LEU 356 26.444 3.962 19.565 152 HB2 LEU 356 HB2 LEU 356 26.019 5.536 22.020 153 HB3 LEU 356 HB1 LEU 356 26.005 3.791 22.264 154 HD11 LEU 356 HD11 LEU 356 26.673 6.422 19.698 155 HD12 LEU 356 HD12 LEU 356 28.198 5.663 19.243 156 HD13 LEU 356 HD13 LEU 356 27.954 6.232 20.895 157 HD21 LEU 356 HD21 LEU 356 28.853 3.528 20.201 158 HD22 LEU 356 HD22 LEU 356 27.685 2.510 21.043 159 HD23 LEU 356 HD23 LEU 356 28.410 3.889 21.869 160 H ILE 357 HN ILE 357 23.933 4.548 18.451 161 HA ILE 357 HA ILE 357 24.576 7.053 17.602 162 HB ILE 357 HB ILE 357 22.612 5.039 16.784 163 HG12 ILE 357 HG12 ILE 357 24.713 5.385 15.575 164 HG13 ILE 357 HG11 ILE 357 23.359 5.724 14.511 165 HG21 ILE 357 HG21 ILE 357 21.311 6.570 15.290 166 HG22 ILE 357 HG22 ILE 357 21.975 7.939 16.174 167 HG23 ILE 357 HG23 ILE 357 20.938 6.767 16.999 168 HD11 ILE 357 HD11 ILE 357 25.470 7.502 15.477 169 HD12 ILE 357 HD12 ILE 357 23.860 8.184 15.685 170 HD13 ILE 357 HD13 ILE 357 24.405 7.681 14.084 171 H ALA 358 HN ALA 358 21.785 6.111 19.497 172 HA ALA 358 HA ALA 358 20.794 8.873 19.570 173 HB1 ALA 358 HB1 ALA 358 19.398 6.623 19.394 174 HB2 ALA 358 HB2 ALA 358 18.780 8.016 20.281 175 HB3 ALA 358 HB3 ALA 358 19.533 6.680 21.151 176 H SER 359 HN SER 359 22.549 6.594 21.508 177 HA SER 359 HA SER 359 22.196 8.153 23.952 178 HG SER 359 HG SER 359 24.583 5.182 23.251 179 HB2 SER 359 HB2 SER 359 22.874 6.292 25.053 180 HB3 SER 359 HB1 SER 359 22.523 5.486 23.527 181 H GLY 360 HN GLY 360 24.019 8.503 21.263 182 HA2 GLY 360 HA2 GLY 360 26.120 9.934 22.751 183 HA3 GLY 360 HA1 GLY 360 26.590 8.793 21.494 184 H VAL 361 HN VAL 361 24.098 11.339 21.783 185 HA VAL 361 HA VAL 361 25.290 13.045 19.853 186 HB VAL 361 HB VAL 361 24.355 10.985 18.521 187 HG11 VAL 361 HG11 VAL 361 21.842 12.643 18.637 188 HG12 VAL 361 HG12 VAL 361 22.101 11.324 19.779 189 HG13 VAL 361 HG13 VAL 361 22.051 10.994 18.047 190 HG21 VAL 361 HG21 VAL 361 23.798 12.508 16.648 191 HG22 VAL 361 HG22 VAL 361 25.239 13.053 17.507 192 HG23 VAL 361 HG23 VAL 361 23.692 13.855 17.781 193 H VAL 362 HN VAL 362 23.386 12.511 22.372 194 HA VAL 362 HA VAL 362 21.300 14.467 21.797 195 HB VAL 362 HB VAL 362 20.536 12.640 23.096 196 HG11 VAL 362 HG11 VAL 362 22.196 11.447 24.084 197 HG12 VAL 362 HG12 VAL 362 21.948 12.525 25.458 198 HG13 VAL 362 HG13 VAL 362 23.219 12.869 24.285 199 HG21 VAL 362 HG21 VAL 362 20.110 15.096 23.934 200 HG22 VAL 362 HG22 VAL 362 21.142 14.618 25.281 201 HG23 VAL 362 HG23 VAL 362 19.646 13.741 24.962 202 H MET 363 HN MET 363 21.266 16.532 22.510 203 HA MET 363 HA MET 363 23.215 17.422 24.504 204 HB2 MET 363 HB2 MET 363 23.021 18.718 21.776 205 HB3 MET 363 HB1 MET 363 24.081 19.202 23.100 206 HG2 MET 363 HG2 MET 363 25.091 16.878 23.004 207 HG3 MET 363 HG1 MET 363 24.180 16.624 21.516 208 HE1 MET 363 HE1 MET 363 27.549 17.490 22.816 209 HE2 MET 363 HE2 MET 363 28.199 17.467 21.178 210 HE3 MET 363 HE3 MET 363 27.093 16.197 21.698 211 H ARG 364 HN ARG 364 22.267 20.041 22.764 212 HA ARG 364 HA ARG 364 19.633 20.357 23.985 213 HE ARG 364 HE ARG 364 17.926 22.914 27.229 214 HB2 ARG 364 HB2 ARG 364 21.566 21.130 25.579 215 HB3 ARG 364 HB1 ARG 364 21.643 22.521 24.498 216 HG2 ARG 364 HG2 ARG 364 20.050 23.314 25.957 217 HG3 ARG 364 HG1 ARG 364 18.985 22.439 24.856 218 HD2 ARG 364 HD2 ARG 364 19.134 20.445 26.327 219 HD3 ARG 364 HD1 ARG 364 20.142 21.362 27.442 220 HH11 ARG 364 HH21 ARG 364 18.463 19.548 27.823 221 HH12 ARG 364 HH22 ARG 364 17.049 19.355 28.805 222 HH21 ARG 364 HH11 ARG 364 16.070 22.668 28.515 223 HH22 ARG 364 HH12 ARG 364 15.694 21.121 29.197 224 HA PRO 365 HA PRO 365 20.514 22.429 19.820 225 HB2 PRO 365 HB2 PRO 365 18.686 20.947 18.394 226 HB3 PRO 365 HB1 PRO 365 20.400 20.517 18.549 227 HG2 PRO 365 HG2 PRO 365 18.044 19.457 20.031 228 HG3 PRO 365 HG1 PRO 365 19.459 18.598 19.398 229 HD2 PRO 365 HD2 PRO 365 19.205 19.233 22.020 230 HD3 PRO 365 HD1 PRO 365 20.787 19.178 21.211 231 H LYS 366 HN LYS 366 17.449 21.224 21.175 232 HA LYS 366 HA LYS 366 15.405 22.222 21.482 233 HB2 LYS 366 HB2 LYS 366 16.863 24.852 21.193 234 HB3 LYS 366 HB1 LYS 366 15.370 24.534 22.077 235 HG2 LYS 366 HG2 LYS 366 16.595 23.077 23.641 236 HG3 LYS 366 HG1 LYS 366 18.090 23.374 22.754 237 HD2 LYS 366 HD2 LYS 366 16.544 25.749 23.702 238 HD3 LYS 366 HD1 LYS 366 17.443 24.820 24.902 239 HE2 LYS 366 HE2 LYS 366 18.684 25.805 22.323 240 HE3 LYS 366 HE1 LYS 366 18.736 26.726 23.827 241 HZ1 LYS 366 HZ1 LYS 366 20.468 25.514 24.430 242 HZ2 LYS 366 HZ2 LYS 366 20.348 24.557 23.032 243 HZ3 LYS 366 HZ3 LYS 366 19.493 24.127 24.436 244 H LYS 367 HN LYS 367 15.774 21.338 18.958 245 HA LYS 367 HA LYS 367 15.601 23.135 16.842 246 HB2 LYS 367 HB2 LYS 367 14.133 20.497 17.081 247 HB3 LYS 367 HB1 LYS 367 14.556 21.335 15.586 248 HG2 LYS 367 HG2 LYS 367 16.947 21.105 16.117 249 HG3 LYS 367 HG1 LYS 367 16.541 20.292 17.629 250 HD2 LYS 367 HD2 LYS 367 15.380 19.191 15.106 251 HD3 LYS 367 HD1 LYS 367 17.094 18.907 15.414 252 HE2 LYS 367 HE2 LYS 367 15.046 18.387 17.561 253 HE3 LYS 367 HE1 LYS 367 15.381 17.174 16.325 254 HZ1 LYS 367 HZ1 LYS 367 16.855 17.731 18.624 255 HZ2 LYS 367 HZ2 LYS 367 17.813 18.184 17.296 256 HZ3 LYS 367 HZ3 LYS 367 17.205 16.602 17.408 257 H1 ACE 336 HA2 ACE 336 38.518 8.866 -8.634 258 H2 ACE 336 HA3 ACE 336 38.624 10.560 -8.160 259 H3 ACE 336 HA1 ACE 336 37.061 9.856 -8.566 260 HN1 NH2 368 HN1 NH2 368 12.637 21.392 17.874 261 HN2 NH2 368 HN2 NH2 368 11.624 22.751 17.766 Start of MODEL 30 1 HA LYS 337 HA LYS 337 36.547 8.114 -4.567 2 H1 LYS 337 HN LYS 337 35.781 9.806 -6.717 3 HB2 LYS 337 HB2 LYS 337 36.949 9.679 -2.818 4 HB3 LYS 337 HB1 LYS 337 37.999 10.147 -4.152 5 HG2 LYS 337 HG2 LYS 337 35.374 11.439 -3.348 6 HG3 LYS 337 HG1 LYS 337 36.980 12.156 -3.295 7 HD2 LYS 337 HD2 LYS 337 37.062 11.749 -5.836 8 HD3 LYS 337 HD1 LYS 337 35.320 11.484 -5.724 9 HE2 LYS 337 HE2 LYS 337 36.801 13.976 -4.838 10 HE3 LYS 337 HE1 LYS 337 35.784 13.830 -6.271 11 HZ1 LYS 337 HZ1 LYS 337 34.117 12.960 -4.396 12 HZ2 LYS 337 HZ2 LYS 337 34.218 14.589 -4.869 13 HZ3 LYS 337 HZ3 LYS 337 35.030 14.055 -3.476 14 H SER 338 HN SER 338 34.281 8.914 -6.408 15 HA SER 338 HA SER 338 32.207 9.356 -4.342 16 HG SER 338 HG SER 338 33.315 10.259 -7.576 17 HB2 SER 338 HB2 SER 338 30.798 10.128 -6.295 18 HB3 SER 338 HB1 SER 338 32.155 11.175 -5.886 19 H TYR 339 HN TYR 339 32.795 6.860 -4.237 20 HA TYR 339 HA TYR 339 30.526 5.455 -5.023 21 HD1 TYR 339 HD1 TYR 339 34.188 5.505 -5.407 22 HD2 TYR 339 HD2 TYR 339 32.170 5.982 -9.170 23 HE1 TYR 339 HE1 TYR 339 36.185 6.627 -6.332 24 HE2 TYR 339 HE2 TYR 339 34.176 7.106 -10.099 25 HH TYR 339 HH TYR 339 37.077 6.884 -9.001 26 HB2 TYR 339 HB2 TYR 339 31.915 3.925 -6.747 27 HB3 TYR 339 HB1 TYR 339 30.953 5.303 -7.253 28 H MET 340 HN MET 340 33.251 3.510 -5.704 29 HA MET 340 HA MET 340 32.893 1.877 -3.438 30 HB2 MET 340 HB2 MET 340 34.856 0.704 -4.171 31 HB3 MET 340 HB1 MET 340 33.977 1.208 -5.615 32 HG2 MET 340 HG2 MET 340 35.564 3.386 -5.208 33 HG3 MET 340 HG1 MET 340 36.610 2.101 -4.602 34 HE1 MET 340 HE1 MET 340 37.039 4.072 -6.899 35 HE2 MET 340 HE2 MET 340 35.491 4.002 -7.737 36 HE3 MET 340 HE3 MET 340 36.949 3.438 -8.548 37 H ALA 341 HN ALA 341 34.135 4.927 -3.586 38 HA ALA 341 HA ALA 341 36.175 4.547 -1.522 39 HB1 ALA 341 HB1 ALA 341 35.251 7.062 -2.924 40 HB2 ALA 341 HB2 ALA 341 36.616 6.064 -3.428 41 HB3 ALA 341 HB3 ALA 341 36.665 6.910 -1.881 42 H TYR 342 HN TYR 342 32.972 5.946 -1.969 43 HA TYR 342 HA TYR 342 32.963 6.932 0.782 44 HD1 TYR 342 HD1 TYR 342 29.313 7.239 0.970 45 HD2 TYR 342 HD2 TYR 342 30.725 6.723 -3.052 46 HE1 TYR 342 HE1 TYR 342 27.119 6.289 0.321 47 HE2 TYR 342 HE2 TYR 342 28.533 5.773 -3.703 48 HH TYR 342 HH TYR 342 26.215 5.813 -2.946 49 HB2 TYR 342 HB2 TYR 342 31.360 8.394 0.122 50 HB3 TYR 342 HB1 TYR 342 31.984 8.023 -1.487 51 H LEU 343 HN LEU 343 31.018 4.722 -1.275 52 HA LEU 343 HA LEU 343 29.295 3.931 0.820 53 HG LEU 343 HG LEU 343 31.303 2.537 -1.762 54 HB2 LEU 343 HB2 LEU 343 28.613 2.096 -0.619 55 HB3 LEU 343 HB1 LEU 343 28.768 3.568 -1.572 56 HD11 LEU 343 HD11 LEU 343 31.260 0.195 -2.003 57 HD12 LEU 343 HD12 LEU 343 29.502 0.147 -2.116 58 HD13 LEU 343 HD13 LEU 343 30.275 0.459 -0.564 59 HD21 LEU 343 HD21 LEU 343 28.936 1.895 -3.554 60 HD22 LEU 343 HD22 LEU 343 30.630 1.863 -4.037 61 HD23 LEU 343 HD23 LEU 343 29.866 3.391 -3.607 62 H SER 344 HN SER 344 32.551 3.216 0.200 63 HA SER 344 HA SER 344 32.519 0.691 1.673 64 HG SER 344 HG SER 344 34.677 -0.562 0.848 65 HB2 SER 344 HB2 SER 344 34.004 1.080 -0.341 66 HB3 SER 344 HB1 SER 344 34.916 2.221 0.642 67 H ALA 345 HN ALA 345 32.306 3.822 2.494 68 HA ALA 345 HA ALA 345 33.906 3.491 4.964 69 HB1 ALA 345 HB1 ALA 345 33.246 6.009 3.419 70 HB2 ALA 345 HB2 ALA 345 34.838 5.270 3.601 71 HB3 ALA 345 HB3 ALA 345 34.030 5.984 4.999 72 H GLU 346 HN GLU 346 30.917 3.091 4.012 73 HA GLU 346 HA GLU 346 29.791 4.117 6.518 74 HB2 GLU 346 HB2 GLU 346 27.785 4.963 5.276 75 HB3 GLU 346 HB1 GLU 346 29.258 5.886 4.968 76 HG2 GLU 346 HG2 GLU 346 29.224 5.360 2.780 77 HG3 GLU 346 HG1 GLU 346 29.024 3.645 3.136 78 H LEU 347 HN LEU 347 30.313 1.576 6.389 79 HA LEU 347 HA LEU 347 27.703 0.300 5.879 80 HG LEU 347 HG LEU 347 31.163 -0.186 5.981 81 HB2 LEU 347 HB2 LEU 347 28.913 -1.727 5.078 82 HB3 LEU 347 HB1 LEU 347 29.119 -0.336 4.012 83 HD11 LEU 347 HD11 LEU 347 30.965 -2.907 4.648 84 HD12 LEU 347 HD12 LEU 347 30.764 -2.597 6.373 85 HD13 LEU 347 HD13 LEU 347 32.329 -2.327 5.605 86 HD21 LEU 347 HD21 LEU 347 31.291 0.658 3.673 87 HD22 LEU 347 HD22 LEU 347 31.221 -0.991 3.053 88 HD23 LEU 347 HD23 LEU 347 32.619 -0.459 3.987 89 H PHE 348 HN PHE 348 29.937 1.146 8.085 90 HA PHE 348 HA PHE 348 29.148 -1.031 9.896 91 HD1 PHE 348 HD1 PHE 348 31.526 1.819 9.127 92 HD2 PHE 348 HD2 PHE 348 32.938 -2.079 8.013 93 HE1 PHE 348 HE1 PHE 348 32.934 2.839 7.378 94 HE2 PHE 348 HE2 PHE 348 34.357 -1.057 6.255 95 HZ PHE 348 HZ PHE 348 34.358 1.401 5.935 96 HB2 PHE 348 HB2 PHE 348 31.692 -0.605 10.731 97 HB3 PHE 348 HB1 PHE 348 31.237 -1.890 9.614 98 H HIS 349 HN HIS 349 29.383 2.204 9.243 99 HA HIS 349 HA HIS 349 30.159 3.287 11.736 100 HD2 HIS 349 HD2 HIS 349 27.974 3.221 7.856 101 HE1 HIS 349 HE1 HIS 349 24.910 5.800 9.195 102 HE2 HIS 349 HE2 HIS 349 25.549 4.090 7.429 103 HB2 HIS 349 HB2 HIS 349 29.318 5.372 10.925 104 HB3 HIS 349 HB1 HIS 349 30.023 4.531 9.546 105 H LEU 350 HN LEU 350 27.760 1.217 11.317 106 HA LEU 350 HA LEU 350 26.088 2.449 13.397 107 HG LEU 350 HG LEU 350 25.936 3.019 10.421 108 HB2 LEU 350 HB2 LEU 350 24.587 0.633 11.697 109 HB3 LEU 350 HB1 LEU 350 24.200 2.278 12.193 110 HD11 LEU 350 HD11 LEU 350 26.520 0.383 10.257 111 HD12 LEU 350 HD12 LEU 350 26.741 1.489 8.905 112 HD13 LEU 350 HD13 LEU 350 25.295 0.486 8.997 113 HD21 LEU 350 HD21 LEU 350 23.676 3.494 9.957 114 HD22 LEU 350 HD22 LEU 350 23.244 1.787 9.855 115 HD23 LEU 350 HD23 LEU 350 24.183 2.539 8.564 116 H SER 351 HN SER 351 26.353 -0.681 11.671 117 HA SER 351 HA SER 351 25.546 -2.274 13.799 118 HG SER 351 HG SER 351 25.329 -4.277 11.204 119 HB2 SER 351 HB2 SER 351 27.273 -2.804 11.401 120 HB3 SER 351 HB1 SER 351 26.982 -4.065 12.596 121 H GLY 352 HN GLY 352 26.612 -1.216 15.651 122 HA2 GLY 352 HA2 GLY 352 28.291 -2.484 17.156 123 HA3 GLY 352 HA1 GLY 352 29.462 -1.922 15.960 124 H ILE 353 HN ILE 353 28.358 0.528 15.373 125 HA ILE 353 HA ILE 353 29.057 2.058 17.767 126 HB ILE 353 HB ILE 353 28.791 2.734 14.839 127 HG12 ILE 353 HG12 ILE 353 31.220 3.422 16.354 128 HG13 ILE 353 HG11 ILE 353 30.878 1.692 16.317 129 HG21 ILE 353 HG21 ILE 353 29.769 5.000 15.797 130 HG22 ILE 353 HG22 ILE 353 28.927 4.499 17.263 131 HG23 ILE 353 HG23 ILE 353 28.028 4.728 15.763 132 HD11 ILE 353 HD11 ILE 353 31.038 3.508 13.894 133 HD12 ILE 353 HD12 ILE 353 30.689 1.779 13.857 134 HD13 ILE 353 HD13 ILE 353 32.271 2.348 14.391 135 H MET 354 HN MET 354 26.406 0.979 15.981 136 HA MET 354 HA MET 354 24.587 3.130 16.372 137 HB2 MET 354 HB2 MET 354 22.880 1.564 15.603 138 HB3 MET 354 HB1 MET 354 24.301 1.496 14.564 139 HG2 MET 354 HG2 MET 354 24.112 -0.754 14.909 140 HG3 MET 354 HG1 MET 354 24.962 -0.386 16.409 141 HE1 MET 354 HE1 MET 354 22.718 -2.727 15.400 142 HE2 MET 354 HE2 MET 354 21.804 -1.429 14.637 143 HE3 MET 354 HE3 MET 354 21.066 -2.376 15.926 144 H ALA 355 HN ALA 355 25.308 0.145 18.092 145 HA ALA 355 HA ALA 355 23.106 0.275 19.898 146 HB1 ALA 355 HB1 ALA 355 25.379 -1.449 19.402 147 HB2 ALA 355 HB2 ALA 355 23.839 -1.828 20.179 148 HB3 ALA 355 HB3 ALA 355 25.169 -1.168 21.131 149 H LEU 356 HN LEU 356 25.737 2.216 19.531 150 HA LEU 356 HA LEU 356 25.657 3.049 22.366 151 HG LEU 356 HG LEU 356 27.653 2.051 19.563 152 HB2 LEU 356 HB2 LEU 356 28.108 3.890 21.244 153 HB3 LEU 356 HB1 LEU 356 27.868 2.689 22.511 154 HD11 LEU 356 HD11 LEU 356 29.936 0.994 19.928 155 HD12 LEU 356 HD12 LEU 356 30.021 1.902 21.438 156 HD13 LEU 356 HD13 LEU 356 29.918 2.758 19.898 157 HD21 LEU 356 HD21 LEU 356 28.476 -0.115 21.264 158 HD22 LEU 356 HD22 LEU 356 27.013 0.015 20.289 159 HD23 LEU 356 HD23 LEU 356 27.025 0.617 21.946 160 H ILE 357 HN ILE 357 25.413 3.830 19.028 161 HA ILE 357 HA ILE 357 26.081 6.398 18.665 162 HB ILE 357 HB ILE 357 23.800 4.764 17.794 163 HG12 ILE 357 HG12 ILE 357 25.810 5.086 16.416 164 HG13 ILE 357 HG11 ILE 357 24.395 5.718 15.589 165 HG21 ILE 357 HG21 ILE 357 23.519 7.781 17.802 166 HG22 ILE 357 HG22 ILE 357 22.409 6.595 18.502 167 HG23 ILE 357 HG23 ILE 357 22.591 6.711 16.755 168 HD11 ILE 357 HD11 ILE 357 25.583 7.619 15.331 169 HD12 ILE 357 HD12 ILE 357 26.795 7.101 16.504 170 HD13 ILE 357 HD13 ILE 357 25.323 7.895 17.053 171 H ALA 358 HN ALA 358 23.354 5.333 20.639 172 HA ALA 358 HA ALA 358 22.802 8.094 21.452 173 HB1 ALA 358 HB1 ALA 358 21.270 5.969 22.761 174 HB2 ALA 358 HB2 ALA 358 21.162 5.928 21.001 175 HB3 ALA 358 HB3 ALA 358 20.706 7.388 21.879 176 H SER 359 HN SER 359 24.303 5.189 22.634 177 HA SER 359 HA SER 359 24.356 6.148 25.392 178 HG SER 359 HG SER 359 25.072 4.658 26.800 179 HB2 SER 359 HB2 SER 359 24.299 3.628 24.301 180 HB3 SER 359 HB1 SER 359 26.001 3.811 24.718 181 H GLY 360 HN GLY 360 26.020 6.942 22.714 182 HA2 GLY 360 HA2 GLY 360 28.490 7.494 24.246 183 HA3 GLY 360 HA1 GLY 360 28.562 6.897 22.591 184 H VAL 361 HN VAL 361 26.314 9.266 23.965 185 HA VAL 361 HA VAL 361 27.647 11.552 22.920 186 HB VAL 361 HB VAL 361 26.786 10.386 20.820 187 HG11 VAL 361 HG11 VAL 361 24.115 11.473 21.724 188 HG12 VAL 361 HG12 VAL 361 24.579 9.794 22.005 189 HG13 VAL 361 HG13 VAL 361 24.458 10.411 20.358 190 HG21 VAL 361 HG21 VAL 361 27.398 12.744 20.801 191 HG22 VAL 361 HG22 VAL 361 25.853 13.186 21.528 192 HG23 VAL 361 HG23 VAL 361 25.904 12.543 19.887 193 H VAL 362 HN VAL 362 24.552 10.092 23.819 194 HA VAL 362 HA VAL 362 22.815 10.843 25.117 195 HB VAL 362 HB VAL 362 25.154 12.333 26.304 196 HG11 VAL 362 HG11 VAL 362 23.506 12.662 28.261 197 HG12 VAL 362 HG12 VAL 362 22.234 12.368 27.076 198 HG13 VAL 362 HG13 VAL 362 23.328 13.738 26.875 199 HG21 VAL 362 HG21 VAL 362 23.440 10.062 27.353 200 HG22 VAL 362 HG22 VAL 362 24.932 10.676 28.064 201 HG23 VAL 362 HG23 VAL 362 24.975 9.831 26.517 202 H MET 363 HN MET 363 21.354 12.622 25.487 203 HA MET 363 HA MET 363 21.935 15.091 24.006 204 HB2 MET 363 HB2 MET 363 19.345 13.603 23.582 205 HB3 MET 363 HB1 MET 363 19.982 14.971 22.667 206 HG2 MET 363 HG2 MET 363 21.940 13.466 22.030 207 HG3 MET 363 HG1 MET 363 21.007 12.125 22.694 208 HE1 MET 363 HE1 MET 363 21.908 13.836 19.509 209 HE2 MET 363 HE2 MET 363 21.084 12.573 18.597 210 HE3 MET 363 HE3 MET 363 22.117 12.137 19.955 211 H ARG 364 HN ARG 364 18.767 15.183 24.298 212 HA ARG 364 HA ARG 364 18.724 15.971 27.143 213 HE ARG 364 HE ARG 364 20.522 21.019 25.538 214 HB2 ARG 364 HB2 ARG 364 17.598 17.593 24.847 215 HB3 ARG 364 HB1 ARG 364 17.459 17.991 26.559 216 HG2 ARG 364 HG2 ARG 364 20.180 17.570 26.231 217 HG3 ARG 364 HG1 ARG 364 19.717 18.387 24.738 218 HD2 ARG 364 HD2 ARG 364 18.490 20.078 26.194 219 HD3 ARG 364 HD1 ARG 364 19.298 19.344 27.576 220 HH11 ARG 364 HH21 ARG 364 20.926 18.693 28.067 221 HH12 ARG 364 HH22 ARG 364 22.579 19.110 28.374 222 HH21 ARG 364 HH11 ARG 364 22.689 21.571 25.934 223 HH22 ARG 364 HH12 ARG 364 23.577 20.740 27.167 224 HA PRO 365 HA PRO 365 15.077 13.359 25.629 225 HB2 PRO 365 HB2 PRO 365 15.504 11.287 27.397 226 HB3 PRO 365 HB1 PRO 365 16.134 11.325 25.739 227 HG2 PRO 365 HG2 PRO 365 17.511 11.955 28.302 228 HG3 PRO 365 HG1 PRO 365 18.119 11.103 26.872 229 HD2 PRO 365 HD2 PRO 365 18.751 13.686 27.402 230 HD3 PRO 365 HD1 PRO 365 18.602 13.069 25.743 231 H LYS 366 HN LYS 366 16.362 13.560 28.951 232 HA LYS 366 HA LYS 366 15.206 13.669 30.975 233 HB2 LYS 366 HB2 LYS 366 14.028 15.938 31.081 234 HB3 LYS 366 HB1 LYS 366 15.743 15.930 30.679 235 HG2 LYS 366 HG2 LYS 366 15.247 16.162 28.317 236 HG3 LYS 366 HG1 LYS 366 13.516 16.003 28.628 237 HD2 LYS 366 HD2 LYS 366 13.629 18.036 30.060 238 HD3 LYS 366 HD1 LYS 366 15.322 18.223 29.607 239 HE2 LYS 366 HE2 LYS 366 14.151 19.633 28.099 240 HE3 LYS 366 HE1 LYS 366 14.492 18.174 27.167 241 HZ1 LYS 366 HZ1 LYS 366 12.260 17.365 27.800 242 HZ2 LYS 366 HZ2 LYS 366 12.218 18.772 26.850 243 HZ3 LYS 366 HZ3 LYS 366 11.946 18.866 28.525 244 H LYS 367 HN LYS 367 13.773 12.000 29.139 245 HA LYS 367 HA LYS 367 11.134 12.449 28.669 246 HB2 LYS 367 HB2 LYS 367 12.558 9.995 29.666 247 HB3 LYS 367 HB1 LYS 367 10.815 9.977 29.394 248 HG2 LYS 367 HG2 LYS 367 11.035 10.335 27.096 249 HG3 LYS 367 HG1 LYS 367 12.639 11.051 27.261 250 HD2 LYS 367 HD2 LYS 367 13.660 8.938 27.645 251 HD3 LYS 367 HD1 LYS 367 12.107 8.154 27.935 252 HE2 LYS 367 HE2 LYS 367 12.769 9.435 25.282 253 HE3 LYS 367 HE1 LYS 367 13.187 7.759 25.635 254 HZ1 LYS 367 HZ1 LYS 367 10.459 8.611 26.220 255 HZ2 LYS 367 HZ2 LYS 367 11.032 7.120 25.643 256 HZ3 LYS 367 HZ3 LYS 367 10.876 8.441 24.586 257 H1 ACE 336 HA2 ACE 336 38.489 10.566 -8.189 258 H2 ACE 336 HA3 ACE 336 36.922 9.851 -8.568 259 H3 ACE 336 HA1 ACE 336 38.383 8.867 -8.651 260 HN1 NH2 368 HN1 NH2 368 9.220 12.625 29.905 261 HN2 NH2 368 HN2 NH2 368 9.199 12.615 31.603 Start of MODEL 31 1 HA LYS 337 HA LYS 337 36.524 8.234 -4.417 2 H1 LYS 337 HN LYS 337 35.779 9.953 -6.552 3 HB2 LYS 337 HB2 LYS 337 36.887 9.772 -2.637 4 HB3 LYS 337 HB1 LYS 337 37.951 10.273 -3.947 5 HG2 LYS 337 HG2 LYS 337 35.305 11.528 -3.157 6 HG3 LYS 337 HG1 LYS 337 36.902 12.258 -3.071 7 HD2 LYS 337 HD2 LYS 337 37.022 11.897 -5.616 8 HD3 LYS 337 HD1 LYS 337 35.282 11.612 -5.533 9 HE2 LYS 337 HE2 LYS 337 36.711 14.102 -4.558 10 HE3 LYS 337 HE1 LYS 337 35.754 13.977 -6.034 11 HZ1 LYS 337 HZ1 LYS 337 34.136 12.999 -4.048 12 HZ2 LYS 337 HZ2 LYS 337 34.013 14.520 -4.795 13 HZ3 LYS 337 HZ3 LYS 337 34.886 14.351 -3.347 14 H SER 338 HN SER 338 34.274 9.049 -6.277 15 HA SER 338 HA SER 338 32.171 9.409 -4.224 16 HG SER 338 HG SER 338 33.057 10.641 -7.620 17 HB2 SER 338 HB2 SER 338 30.781 10.337 -6.057 18 HB3 SER 338 HB1 SER 338 32.232 11.290 -5.758 19 H TYR 339 HN TYR 339 32.700 6.932 -4.163 20 HA TYR 339 HA TYR 339 30.471 5.555 -5.090 21 HD1 TYR 339 HD1 TYR 339 34.154 5.545 -5.309 22 HD2 TYR 339 HD2 TYR 339 32.322 6.227 -9.134 23 HE1 TYR 339 HE1 TYR 339 36.219 6.633 -6.094 24 HE2 TYR 339 HE2 TYR 339 34.401 7.322 -9.925 25 HH TYR 339 HH TYR 339 37.188 6.973 -8.840 26 HB2 TYR 339 HB2 TYR 339 31.903 4.080 -6.809 27 HB3 TYR 339 HB1 TYR 339 31.000 5.501 -7.306 28 H MET 340 HN MET 340 33.195 3.616 -5.733 29 HA MET 340 HA MET 340 32.775 1.943 -3.498 30 HB2 MET 340 HB2 MET 340 34.996 0.950 -4.194 31 HB3 MET 340 HB1 MET 340 33.773 1.012 -5.463 32 HG2 MET 340 HG2 MET 340 35.524 3.398 -5.220 33 HG3 MET 340 HG1 MET 340 36.292 1.926 -5.814 34 HE1 MET 340 HE1 MET 340 35.460 4.505 -8.643 35 HE2 MET 340 HE2 MET 340 36.573 3.141 -8.604 36 HE3 MET 340 HE3 MET 340 36.456 4.214 -7.211 37 H ALA 341 HN ALA 341 34.068 4.968 -3.600 38 HA ALA 341 HA ALA 341 36.112 4.530 -1.553 39 HB1 ALA 341 HB1 ALA 341 36.651 6.871 -1.879 40 HB2 ALA 341 HB2 ALA 341 35.198 7.104 -2.852 41 HB3 ALA 341 HB3 ALA 341 36.513 6.094 -3.457 42 H TYR 342 HN TYR 342 32.881 5.838 -1.944 43 HA TYR 342 HA TYR 342 32.886 6.809 0.820 44 HD1 TYR 342 HD2 TYR 342 29.180 7.050 0.987 45 HD2 TYR 342 HD1 TYR 342 30.696 6.586 -3.003 46 HE1 TYR 342 HE2 TYR 342 27.028 6.039 0.287 47 HE2 TYR 342 HE1 TYR 342 28.545 5.575 -3.705 48 HH TYR 342 HH TYR 342 26.632 4.536 -2.833 49 HB2 TYR 342 HB2 TYR 342 31.219 8.234 0.218 50 HB3 TYR 342 HB1 TYR 342 31.868 7.943 -1.399 51 H LEU 343 HN LEU 343 30.973 4.601 -1.262 52 HA LEU 343 HA LEU 343 29.272 3.725 0.813 53 HG LEU 343 HG LEU 343 31.327 2.126 -1.645 54 HB2 LEU 343 HB2 LEU 343 28.519 2.038 -0.668 55 HB3 LEU 343 HB1 LEU 343 28.936 3.407 -1.693 56 HD11 LEU 343 HD11 LEU 343 29.439 -0.184 -1.939 57 HD12 LEU 343 HD12 LEU 343 29.955 0.261 -0.316 58 HD13 LEU 343 HD13 LEU 343 31.152 -0.190 -1.528 59 HD21 LEU 343 HD21 LEU 343 28.951 1.599 -3.456 60 HD22 LEU 343 HD22 LEU 343 30.612 1.171 -3.855 61 HD23 LEU 343 HD23 LEU 343 30.162 2.863 -3.655 62 H SER 344 HN SER 344 32.556 3.100 0.194 63 HA SER 344 HA SER 344 32.575 0.571 1.664 64 HG SER 344 HG SER 344 35.987 0.242 0.853 65 HB2 SER 344 HB2 SER 344 34.044 0.880 -0.325 66 HB3 SER 344 HB1 SER 344 34.889 2.165 0.534 67 H ALA 345 HN ALA 345 32.347 3.720 2.462 68 HA ALA 345 HA ALA 345 33.993 3.438 4.905 69 HB1 ALA 345 HB1 ALA 345 33.144 5.912 3.386 70 HB2 ALA 345 HB2 ALA 345 34.784 5.285 3.568 71 HB3 ALA 345 HB3 ALA 345 33.930 5.943 4.965 72 H GLU 346 HN GLU 346 30.929 3.103 3.875 73 HA GLU 346 HA GLU 346 29.830 3.947 6.480 74 HB2 GLU 346 HB2 GLU 346 27.738 4.638 5.259 75 HB3 GLU 346 HB1 GLU 346 29.133 5.677 4.962 76 HG2 GLU 346 HG2 GLU 346 29.206 5.132 2.774 77 HG3 GLU 346 HG1 GLU 346 29.001 3.415 3.115 78 H LEU 347 HN LEU 347 30.451 1.482 6.480 79 HA LEU 347 HA LEU 347 27.950 0.022 5.949 80 HG LEU 347 HG LEU 347 31.429 -0.268 6.112 81 HB2 LEU 347 HB2 LEU 347 29.287 -1.941 5.197 82 HB3 LEU 347 HB1 LEU 347 29.430 -0.560 4.106 83 HD11 LEU 347 HD11 LEU 347 31.227 -2.664 6.553 84 HD12 LEU 347 HD12 LEU 347 32.732 -2.354 5.689 85 HD13 LEU 347 HD13 LEU 347 31.342 -3.017 4.829 86 HD21 LEU 347 HD21 LEU 347 31.563 0.580 3.814 87 HD22 LEU 347 HD22 LEU 347 31.564 -1.068 3.185 88 HD23 LEU 347 HD23 LEU 347 32.931 -0.486 4.135 89 H PHE 348 HN PHE 348 30.033 1.089 8.172 90 HA PHE 348 HA PHE 348 29.380 -1.080 10.037 91 HD1 PHE 348 HD1 PHE 348 31.641 1.829 9.153 92 HD2 PHE 348 HD2 PHE 348 33.197 -2.052 8.172 93 HE1 PHE 348 HE1 PHE 348 32.998 2.836 7.355 94 HE2 PHE 348 HE2 PHE 348 34.562 -1.043 6.364 95 HZ PHE 348 HZ PHE 348 34.465 1.399 5.953 96 HB2 PHE 348 HB2 PHE 348 31.912 -0.523 10.845 97 HB3 PHE 348 HB1 PHE 348 31.501 -1.869 9.782 98 H HIS 349 HN HIS 349 29.514 2.149 9.288 99 HA HIS 349 HA HIS 349 30.279 3.384 11.684 100 HD2 HIS 349 HD2 HIS 349 28.074 3.089 7.781 101 HE1 HIS 349 HE1 HIS 349 24.590 4.891 9.343 102 HE2 HIS 349 HE2 HIS 349 25.512 3.474 7.447 103 HB2 HIS 349 HB2 HIS 349 29.085 5.327 10.882 104 HB3 HIS 349 HB1 HIS 349 29.880 4.551 9.513 105 H LEU 350 HN LEU 350 27.061 2.367 10.558 106 HA LEU 350 HA LEU 350 25.354 3.142 12.450 107 HG LEU 350 HG LEU 350 26.867 0.162 11.265 108 HB2 LEU 350 HB2 LEU 350 24.399 0.696 12.315 109 HB3 LEU 350 HB1 LEU 350 24.382 1.728 10.888 110 HD11 LEU 350 HD11 LEU 350 25.366 -1.552 12.007 111 HD12 LEU 350 HD12 LEU 350 25.721 -1.894 10.313 112 HD13 LEU 350 HD13 LEU 350 24.188 -1.147 10.759 113 HD21 LEU 350 HD21 LEU 350 26.803 0.066 8.914 114 HD22 LEU 350 HD22 LEU 350 26.036 1.615 9.255 115 HD23 LEU 350 HD23 LEU 350 25.046 0.211 8.864 116 H SER 351 HN SER 351 27.591 0.398 12.880 117 HA SER 351 HA SER 351 26.768 -0.336 15.459 118 HG SER 351 HG SER 351 30.110 -1.235 15.978 119 HB2 SER 351 HB2 SER 351 28.189 -1.800 14.184 120 HB3 SER 351 HB1 SER 351 29.456 -0.580 14.100 121 H GLY 352 HN GLY 352 26.430 2.004 16.225 122 HA2 GLY 352 HA2 GLY 352 27.592 2.822 18.368 123 HA3 GLY 352 HA1 GLY 352 28.931 3.171 17.272 124 H ILE 353 HN ILE 353 27.081 3.770 15.083 125 HA ILE 353 HA ILE 353 26.474 6.536 15.827 126 HB ILE 353 HB ILE 353 26.565 5.180 13.127 127 HG12 ILE 353 HG12 ILE 353 28.799 5.334 14.085 128 HG13 ILE 353 HG11 ILE 353 28.638 6.551 12.824 129 HG21 ILE 353 HG21 ILE 353 26.792 7.887 12.719 130 HG22 ILE 353 HG22 ILE 353 25.628 7.806 14.042 131 HG23 ILE 353 HG23 ILE 353 25.307 6.955 12.531 132 HD11 ILE 353 HD11 ILE 353 29.610 7.800 14.526 133 HD12 ILE 353 HD12 ILE 353 28.779 6.908 15.798 134 HD13 ILE 353 HD13 ILE 353 27.902 8.100 14.840 135 H MET 354 HN MET 354 24.974 3.588 14.651 136 HA MET 354 HA MET 354 22.453 4.694 14.034 137 HB2 MET 354 HB2 MET 354 21.642 2.430 13.922 138 HB3 MET 354 HB1 MET 354 23.242 2.505 13.192 139 HG2 MET 354 HG2 MET 354 23.802 0.806 14.575 140 HG3 MET 354 HG1 MET 354 23.776 1.994 15.873 141 HE1 MET 354 HE1 MET 354 23.712 -0.471 16.649 142 HE2 MET 354 HE2 MET 354 22.229 -1.305 17.104 143 HE3 MET 354 HE3 MET 354 22.719 0.144 17.976 144 H ALA 355 HN ALA 355 23.891 3.586 17.001 145 HA ALA 355 HA ALA 355 21.427 3.339 18.460 146 HB1 ALA 355 HB1 ALA 355 22.850 2.159 19.730 147 HB2 ALA 355 HB2 ALA 355 23.522 3.693 20.285 148 HB3 ALA 355 HB3 ALA 355 24.246 2.858 18.907 149 H LEU 356 HN LEU 356 23.479 5.892 17.531 150 HA LEU 356 HA LEU 356 22.212 7.711 19.488 151 HG LEU 356 HG LEU 356 25.115 6.664 17.650 152 HB2 LEU 356 HB2 LEU 356 24.405 9.002 18.270 153 HB3 LEU 356 HB1 LEU 356 24.276 8.449 19.939 154 HD11 LEU 356 HD11 LEU 356 27.067 7.811 17.702 155 HD12 LEU 356 HD12 LEU 356 27.320 7.085 19.288 156 HD13 LEU 356 HD13 LEU 356 26.597 8.688 19.158 157 HD21 LEU 356 HD21 LEU 356 25.115 5.015 19.193 158 HD22 LEU 356 HD22 LEU 356 24.280 6.126 20.277 159 HD23 LEU 356 HD23 LEU 356 26.039 6.002 20.325 160 H ILE 357 HN ILE 357 22.586 6.854 16.185 161 HA ILE 357 HA ILE 357 22.389 8.999 14.601 162 HB ILE 357 HB ILE 357 21.033 6.403 14.582 163 HG12 ILE 357 HG12 ILE 357 22.107 8.170 12.359 164 HG13 ILE 357 HG11 ILE 357 23.092 7.056 13.299 165 HG21 ILE 357 HG21 ILE 357 19.448 7.050 12.733 166 HG22 ILE 357 HG22 ILE 357 19.747 8.738 13.122 167 HG23 ILE 357 HG23 ILE 357 18.980 7.675 14.307 168 HD11 ILE 357 HD11 ILE 357 22.555 5.451 11.816 169 HD12 ILE 357 HD12 ILE 357 21.376 6.501 11.032 170 HD13 ILE 357 HD13 ILE 357 20.902 5.528 12.423 171 H ALA 358 HN ALA 358 19.684 7.912 16.631 172 HA ALA 358 HA ALA 358 18.215 10.379 16.044 173 HB1 ALA 358 HB1 ALA 358 17.259 7.920 16.270 174 HB2 ALA 358 HB2 ALA 358 16.327 9.308 16.832 175 HB3 ALA 358 HB3 ALA 358 17.234 8.329 17.986 176 H SER 359 HN SER 359 19.654 8.654 18.786 177 HA SER 359 HA SER 359 18.943 10.547 20.774 178 HG SER 359 HG SER 359 22.162 9.482 20.545 179 HB2 SER 359 HB2 SER 359 19.876 9.023 22.131 180 HB3 SER 359 HB1 SER 359 20.231 8.065 20.697 181 H GLY 360 HN GLY 360 20.769 11.062 18.136 182 HA2 GLY 360 HA2 GLY 360 22.759 12.767 19.485 183 HA3 GLY 360 HA1 GLY 360 22.845 12.214 17.818 184 H VAL 361 HN VAL 361 19.732 12.998 18.205 185 HA VAL 361 HA VAL 361 19.977 15.873 17.877 186 HB VAL 361 HB VAL 361 19.551 13.960 15.658 187 HG11 VAL 361 HG11 VAL 361 17.845 16.440 16.016 188 HG12 VAL 361 HG12 VAL 361 17.300 14.793 15.680 189 HG13 VAL 361 HG13 VAL 361 18.149 15.711 14.441 190 HG21 VAL 361 HG21 VAL 361 21.501 15.440 15.737 191 HG22 VAL 361 HG22 VAL 361 20.452 16.855 15.827 192 HG23 VAL 361 HG23 VAL 361 20.481 15.868 14.367 193 H VAL 362 HN VAL 362 17.732 13.146 17.365 194 HA VAL 362 HA VAL 362 15.565 12.801 18.046 195 HB VAL 362 HB VAL 362 16.546 14.496 20.347 196 HG11 VAL 362 HG11 VAL 362 14.261 14.529 20.708 197 HG12 VAL 362 HG12 VAL 362 14.654 12.979 21.454 198 HG13 VAL 362 HG13 VAL 362 13.994 13.029 19.819 199 HG21 VAL 362 HG21 VAL 362 16.595 11.551 19.710 200 HG22 VAL 362 HG22 VAL 362 16.593 12.105 21.383 201 HG23 VAL 362 HG23 VAL 362 17.900 12.580 20.300 202 H MET 363 HN MET 363 16.569 15.747 17.016 203 HA MET 363 HA MET 363 15.445 17.531 16.102 204 HB2 MET 363 HB2 MET 363 12.811 16.404 16.972 205 HB3 MET 363 HB1 MET 363 13.209 17.319 15.519 206 HG2 MET 363 HG2 MET 363 14.793 15.152 15.141 207 HG3 MET 363 HG1 MET 363 13.474 14.410 16.046 208 HE1 MET 363 HE1 MET 363 14.713 14.388 12.919 209 HE2 MET 363 HE2 MET 363 14.652 16.145 12.812 210 HE3 MET 363 HE3 MET 363 13.662 15.170 11.730 211 H ARG 364 HN ARG 364 13.615 16.452 18.972 212 HA ARG 364 HA ARG 364 14.011 19.133 20.125 213 HE ARG 364 HE ARG 364 10.005 15.210 18.149 214 HB2 ARG 364 HB2 ARG 364 11.718 18.957 21.083 215 HB3 ARG 364 HB1 ARG 364 11.732 19.042 19.324 216 HG2 ARG 364 HG2 ARG 364 11.956 16.304 19.954 217 HG3 ARG 364 HG1 ARG 364 10.714 16.945 21.029 218 HD2 ARG 364 HD2 ARG 364 9.498 17.885 19.142 219 HD3 ARG 364 HD1 ARG 364 10.778 17.399 18.032 220 HH11 ARG 364 HH21 ARG 364 8.468 17.241 20.483 221 HH12 ARG 364 HH22 ARG 364 7.237 16.089 20.882 222 HH21 ARG 364 HH11 ARG 364 8.391 13.692 18.658 223 HH22 ARG 364 HH12 ARG 364 7.193 14.080 19.849 224 HA PRO 365 HA PRO 365 15.223 15.775 23.105 225 HB2 PRO 365 HB2 PRO 365 17.766 16.677 23.566 226 HB3 PRO 365 HB1 PRO 365 17.351 15.535 22.277 227 HG2 PRO 365 HG2 PRO 365 17.938 18.429 22.120 228 HG3 PRO 365 HG1 PRO 365 18.260 17.143 20.948 229 HD2 PRO 365 HD2 PRO 365 16.185 18.978 20.776 230 HD3 PRO 365 HD1 PRO 365 16.236 17.422 19.922 231 H LYS 366 HN LYS 366 16.283 19.185 23.263 232 HA LYS 366 HA LYS 366 16.218 20.730 24.963 233 HB2 LYS 366 HB2 LYS 366 13.897 19.148 26.062 234 HB3 LYS 366 HB1 LYS 366 14.188 20.883 26.181 235 HG2 LYS 366 HG2 LYS 366 14.002 21.001 23.666 236 HG3 LYS 366 HG1 LYS 366 13.485 19.315 23.685 237 HD2 LYS 366 HD2 LYS 366 12.110 21.597 25.137 238 HD3 LYS 366 HD1 LYS 366 11.537 20.828 23.657 239 HE2 LYS 366 HE2 LYS 366 11.702 18.618 25.056 240 HE3 LYS 366 HE1 LYS 366 11.656 19.706 26.443 241 HZ1 LYS 366 HZ1 LYS 366 9.441 18.961 25.783 242 HZ2 LYS 366 HZ2 LYS 366 9.659 19.651 24.245 243 HZ3 LYS 366 HZ3 LYS 366 9.605 20.642 25.623 244 H LYS 367 HN LYS 367 17.821 18.298 25.304 245 HA LYS 367 HA LYS 367 19.054 17.221 26.914 246 HB2 LYS 367 HB2 LYS 367 18.261 19.729 28.406 247 HB3 LYS 367 HB1 LYS 367 19.409 18.546 29.035 248 HG2 LYS 367 HG2 LYS 367 21.060 19.311 27.700 249 HG3 LYS 367 HG1 LYS 367 20.015 19.275 26.279 250 HD2 LYS 367 HD2 LYS 367 19.019 21.426 26.941 251 HD3 LYS 367 HD1 LYS 367 20.040 21.463 28.379 252 HE2 LYS 367 HE2 LYS 367 21.077 22.837 26.665 253 HE3 LYS 367 HE1 LYS 367 22.052 21.383 26.882 254 HZ1 LYS 367 HZ1 LYS 367 20.223 20.667 25.003 255 HZ2 LYS 367 HZ2 LYS 367 21.832 21.120 24.699 256 HZ3 LYS 367 HZ3 LYS 367 20.587 22.270 24.586 257 H1 ACE 336 HA2 ACE 336 36.951 9.984 -8.398 258 H2 ACE 336 HA3 ACE 336 38.470 9.088 -8.441 259 H3 ACE 336 HA1 ACE 336 38.460 10.786 -7.965 260 HN1 NH2 368 HN1 NH2 368 17.390 18.411 29.688 261 HN2 NH2 368 HN2 NH2 368 16.464 17.022 29.993 Start of MODEL 32 1 HA LYS 337 HA LYS 337 36.586 8.183 -4.451 2 H1 LYS 337 HN LYS 337 35.831 9.914 -6.573 3 HB2 LYS 337 HB2 LYS 337 36.970 9.714 -2.667 4 HB3 LYS 337 HB1 LYS 337 38.027 10.215 -3.984 5 HG2 LYS 337 HG2 LYS 337 35.389 11.478 -3.175 6 HG3 LYS 337 HG1 LYS 337 36.991 12.199 -3.087 7 HD2 LYS 337 HD2 LYS 337 37.103 11.851 -5.636 8 HD3 LYS 337 HD1 LYS 337 35.362 11.578 -5.550 9 HE2 LYS 337 HE2 LYS 337 36.869 14.065 -4.708 10 HE3 LYS 337 HE1 LYS 337 35.695 13.919 -6.016 11 HZ1 LYS 337 HZ1 LYS 337 34.459 12.980 -3.720 12 HZ2 LYS 337 HZ2 LYS 337 34.124 14.418 -4.561 13 HZ3 LYS 337 HZ3 LYS 337 35.237 14.421 -3.277 14 H SER 338 HN SER 338 34.333 9.012 -6.296 15 HA SER 338 HA SER 338 32.238 9.380 -4.236 16 HG SER 338 HG SER 338 32.903 10.811 -7.732 17 HB2 SER 338 HB2 SER 338 30.847 10.322 -6.056 18 HB3 SER 338 HB1 SER 338 32.309 11.261 -5.774 19 H TYR 339 HN TYR 339 32.759 6.899 -4.184 20 HA TYR 339 HA TYR 339 30.518 5.535 -5.093 21 HD1 TYR 339 HD1 TYR 339 34.192 5.551 -5.359 22 HD2 TYR 339 HD2 TYR 339 32.320 6.171 -9.176 23 HE1 TYR 339 HE1 TYR 339 36.239 6.658 -6.180 24 HE2 TYR 339 HE2 TYR 339 34.380 7.276 -10.000 25 HH TYR 339 HH TYR 339 37.327 7.347 -8.066 26 HB2 TYR 339 HB2 TYR 339 31.932 4.054 -6.830 27 HB3 TYR 339 HB1 TYR 339 31.017 5.471 -7.317 28 H MET 340 HN MET 340 33.238 3.591 -5.765 29 HA MET 340 HA MET 340 32.820 1.915 -3.531 30 HB2 MET 340 HB2 MET 340 34.873 0.783 -4.254 31 HB3 MET 340 HB1 MET 340 33.839 1.137 -5.637 32 HG2 MET 340 HG2 MET 340 35.909 1.875 -6.413 33 HG3 MET 340 HG1 MET 340 35.232 3.362 -5.750 34 HE1 MET 340 HE1 MET 340 38.603 4.245 -4.501 35 HE2 MET 340 HE2 MET 340 37.084 4.703 -5.264 36 HE3 MET 340 HE3 MET 340 38.184 3.611 -6.099 37 H ALA 341 HN ALA 341 34.095 4.941 -3.611 38 HA ALA 341 HA ALA 341 36.149 4.496 -1.572 39 HB1 ALA 341 HB1 ALA 341 36.602 6.067 -3.428 40 HB2 ALA 341 HB2 ALA 341 36.640 6.874 -1.861 41 HB3 ALA 341 HB3 ALA 341 35.232 7.049 -2.911 42 H TYR 342 HN TYR 342 32.949 5.902 -1.975 43 HA TYR 342 HA TYR 342 32.943 6.826 0.798 44 HD1 TYR 342 HD2 TYR 342 29.259 7.168 0.970 45 HD2 TYR 342 HD1 TYR 342 30.741 6.626 -3.023 46 HE1 TYR 342 HE2 TYR 342 27.081 6.201 0.292 47 HE2 TYR 342 HE1 TYR 342 28.564 5.659 -3.703 48 HH TYR 342 HH TYR 342 26.614 4.418 -2.387 49 HB2 TYR 342 HB2 TYR 342 31.322 8.292 0.183 50 HB3 TYR 342 HB1 TYR 342 31.955 7.975 -1.435 51 H LEU 343 HN LEU 343 30.996 4.656 -1.306 52 HA LEU 343 HA LEU 343 29.281 3.828 0.778 53 HG LEU 343 HG LEU 343 31.268 2.349 -1.796 54 HB2 LEU 343 HB2 LEU 343 28.543 2.064 -0.683 55 HB3 LEU 343 HB1 LEU 343 28.791 3.512 -1.650 56 HD11 LEU 343 HD11 LEU 343 30.136 0.350 -0.565 57 HD12 LEU 343 HD12 LEU 343 31.091 -0.000 -2.003 58 HD13 LEU 343 HD13 LEU 343 29.332 0.054 -2.104 59 HD21 LEU 343 HD21 LEU 343 30.562 1.643 -4.063 60 HD22 LEU 343 HD22 LEU 343 29.913 3.236 -3.675 61 HD23 LEU 343 HD23 LEU 343 28.873 1.816 -3.589 62 H SER 344 HN SER 344 32.540 3.218 0.276 63 HA SER 344 HA SER 344 32.511 0.641 1.674 64 HG SER 344 HG SER 344 35.359 0.621 2.179 65 HB2 SER 344 HB2 SER 344 34.028 1.009 -0.288 66 HB3 SER 344 HB1 SER 344 34.878 2.230 0.655 67 H ALA 345 HN ALA 345 32.281 3.782 2.503 68 HA ALA 345 HA ALA 345 33.815 3.437 5.012 69 HB1 ALA 345 HB1 ALA 345 33.921 5.933 5.061 70 HB2 ALA 345 HB2 ALA 345 33.186 5.956 3.458 71 HB3 ALA 345 HB3 ALA 345 34.775 5.226 3.689 72 H GLU 346 HN GLU 346 30.881 2.943 4.054 73 HA GLU 346 HA GLU 346 29.672 4.040 6.492 74 HB2 GLU 346 HB2 GLU 346 27.631 4.678 5.122 75 HB3 GLU 346 HB1 GLU 346 29.044 5.715 4.909 76 HG2 GLU 346 HG2 GLU 346 29.215 5.173 2.730 77 HG3 GLU 346 HG1 GLU 346 29.116 3.451 3.091 78 H LEU 347 HN LEU 347 30.378 1.480 6.331 79 HA LEU 347 HA LEU 347 27.817 0.068 5.895 80 HG LEU 347 HG LEU 347 31.287 -0.325 6.183 81 HB2 LEU 347 HB2 LEU 347 29.100 -1.916 5.185 82 HB3 LEU 347 HB1 LEU 347 29.378 -0.549 4.104 83 HD11 LEU 347 HD11 LEU 347 31.130 -3.118 5.007 84 HD12 LEU 347 HD12 LEU 347 30.878 -2.694 6.701 85 HD13 LEU 347 HD13 LEU 347 32.470 -2.493 5.968 86 HD21 LEU 347 HD21 LEU 347 31.590 0.402 3.861 87 HD22 LEU 347 HD22 LEU 347 31.515 -1.272 3.308 88 HD23 LEU 347 HD23 LEU 347 32.869 -0.731 4.301 89 H PHE 348 HN PHE 348 29.993 1.122 8.086 90 HA PHE 348 HA PHE 348 29.217 -0.953 10.018 91 HD1 PHE 348 HD1 PHE 348 31.604 1.893 9.144 92 HD2 PHE 348 HD2 PHE 348 33.010 -2.061 8.237 93 HE1 PHE 348 HE1 PHE 348 33.028 2.819 7.350 94 HE2 PHE 348 HE2 PHE 348 34.442 -1.136 6.438 95 HZ PHE 348 HZ PHE 348 34.453 1.305 5.992 96 HB2 PHE 348 HB2 PHE 348 31.737 -0.417 10.869 97 HB3 PHE 348 HB1 PHE 348 31.326 -1.787 9.838 98 H HIS 349 HN HIS 349 29.437 2.235 9.151 99 HA HIS 349 HA HIS 349 30.155 3.567 11.512 100 HD2 HIS 349 HD2 HIS 349 28.056 2.526 8.029 101 HE1 HIS 349 HE1 HIS 349 24.871 5.293 8.167 102 HE2 HIS 349 HE2 HIS 349 25.681 3.125 7.124 103 HB2 HIS 349 HB2 HIS 349 28.954 5.480 10.576 104 HB3 HIS 349 HB1 HIS 349 29.910 4.679 9.331 105 H LEU 350 HN LEU 350 27.762 1.383 11.205 106 HA LEU 350 HA LEU 350 26.182 2.588 13.360 107 HG LEU 350 HG LEU 350 25.750 3.319 10.502 108 HB2 LEU 350 HB2 LEU 350 25.118 0.946 11.047 109 HB3 LEU 350 HB1 LEU 350 24.162 1.559 12.394 110 HD11 LEU 350 HD11 LEU 350 23.157 3.878 9.961 111 HD12 LEU 350 HD12 LEU 350 23.023 2.160 10.337 112 HD13 LEU 350 HD13 LEU 350 24.099 2.699 9.048 113 HD21 LEU 350 HD21 LEU 350 23.892 3.807 12.820 114 HD22 LEU 350 HD22 LEU 350 23.972 4.983 11.510 115 HD23 LEU 350 HD23 LEU 350 25.421 4.596 12.433 116 H SER 351 HN SER 351 25.961 -0.543 11.707 117 HA SER 351 HA SER 351 25.531 -2.138 13.891 118 HG SER 351 HG SER 351 25.808 -4.871 12.006 119 HB2 SER 351 HB2 SER 351 25.659 -2.778 11.395 120 HB3 SER 351 HB1 SER 351 27.374 -3.050 11.691 121 H GLY 352 HN GLY 352 26.738 -1.271 15.678 122 HA2 GLY 352 HA2 GLY 352 28.578 -2.368 17.011 123 HA3 GLY 352 HA1 GLY 352 29.625 -1.950 15.652 124 H ILE 353 HN ILE 353 28.437 0.522 15.041 125 HA ILE 353 HA ILE 353 29.573 2.180 17.164 126 HB ILE 353 HB ILE 353 28.555 2.973 14.429 127 HG12 ILE 353 HG12 ILE 353 30.390 1.420 14.127 128 HG13 ILE 353 HG11 ILE 353 31.001 3.047 13.836 129 HG21 ILE 353 HG21 ILE 353 29.357 4.470 16.709 130 HG22 ILE 353 HG22 ILE 353 28.952 5.071 15.102 131 HG23 ILE 353 HG23 ILE 353 30.619 4.648 15.491 132 HD11 ILE 353 HD11 ILE 353 31.485 1.239 16.191 133 HD12 ILE 353 HD12 ILE 353 31.631 2.985 16.381 134 HD13 ILE 353 HD13 ILE 353 32.653 2.136 15.224 135 H MET 354 HN MET 354 26.566 1.470 15.523 136 HA MET 354 HA MET 354 25.029 3.599 16.523 137 HB2 MET 354 HB2 MET 354 23.072 2.223 15.899 138 HB3 MET 354 HB1 MET 354 24.261 2.328 14.605 139 HG2 MET 354 HG2 MET 354 24.194 0.068 14.555 140 HG3 MET 354 HG1 MET 354 25.099 0.120 16.066 141 HE1 MET 354 HE1 MET 354 23.098 -2.157 14.963 142 HE2 MET 354 HE2 MET 354 22.048 -0.935 14.251 143 HE3 MET 354 HE3 MET 354 21.412 -2.024 15.480 144 H ALA 355 HN ALA 355 25.789 0.400 17.707 145 HA ALA 355 HA ALA 355 23.887 0.313 19.818 146 HB1 ALA 355 HB1 ALA 355 24.576 -1.815 19.754 147 HB2 ALA 355 HB2 ALA 355 26.103 -1.310 20.479 148 HB3 ALA 355 HB3 ALA 355 25.937 -1.373 18.723 149 H LEU 356 HN LEU 356 26.710 2.108 19.399 150 HA LEU 356 HA LEU 356 26.821 2.641 22.302 151 HG LEU 356 HG LEU 356 28.682 2.180 19.267 152 HB2 LEU 356 HB2 LEU 356 29.257 2.898 22.140 153 HB3 LEU 356 HB1 LEU 356 28.760 1.278 21.672 154 HD11 LEU 356 HD11 LEU 356 29.854 4.494 20.700 155 HD12 LEU 356 HD12 LEU 356 29.047 4.427 19.138 156 HD13 LEU 356 HD13 LEU 356 30.744 3.981 19.270 157 HD21 LEU 356 HD21 LEU 356 31.136 1.777 19.006 158 HD22 LEU 356 HD22 LEU 356 30.341 0.569 20.016 159 HD23 LEU 356 HD23 LEU 356 31.296 1.851 20.760 160 H ILE 357 HN ILE 357 26.334 3.794 19.190 161 HA ILE 357 HA ILE 357 27.461 6.238 18.919 162 HB ILE 357 HB ILE 357 24.835 5.105 18.246 163 HG12 ILE 357 HG12 ILE 357 26.659 5.270 16.608 164 HG13 ILE 357 HG11 ILE 357 25.281 6.220 16.079 165 HG21 ILE 357 HG21 ILE 357 25.073 8.107 18.577 166 HG22 ILE 357 HG22 ILE 357 23.883 7.034 19.325 167 HG23 ILE 357 HG23 ILE 357 23.845 7.322 17.589 168 HD11 ILE 357 HD11 ILE 357 26.742 7.923 15.829 169 HD12 ILE 357 HD12 ILE 357 27.989 7.079 16.748 170 HD13 ILE 357 HD13 ILE 357 26.764 8.024 17.589 171 H ALA 358 HN ALA 358 24.903 5.389 21.179 172 HA ALA 358 HA ALA 358 24.898 8.096 22.303 173 HB1 ALA 358 HB1 ALA 358 23.266 5.690 23.134 174 HB2 ALA 358 HB2 ALA 358 22.763 6.853 21.908 175 HB3 ALA 358 HB3 ALA 358 22.981 7.373 23.578 176 H SER 359 HN SER 359 26.169 4.936 22.945 177 HA SER 359 HA SER 359 26.762 5.567 25.738 178 HG SER 359 HG SER 359 27.857 3.082 26.687 179 HB2 SER 359 HB2 SER 359 26.160 3.213 24.496 180 HB3 SER 359 HB1 SER 359 27.919 3.130 24.554 181 H GLY 360 HN GLY 360 28.094 6.400 22.879 182 HA2 GLY 360 HA2 GLY 360 30.856 6.345 23.957 183 HA3 GLY 360 HA1 GLY 360 30.492 6.174 22.243 184 H VAL 361 HN VAL 361 28.814 8.396 24.386 185 HA VAL 361 HA VAL 361 30.392 10.678 23.642 186 HB VAL 361 HB VAL 361 28.860 10.082 21.624 187 HG11 VAL 361 HG11 VAL 361 26.593 10.720 21.761 188 HG12 VAL 361 HG12 VAL 361 26.843 11.625 23.252 189 HG13 VAL 361 HG13 VAL 361 26.870 9.862 23.276 190 HG21 VAL 361 HG21 VAL 361 29.859 12.129 21.330 191 HG22 VAL 361 HG22 VAL 361 29.414 12.693 22.940 192 HG23 VAL 361 HG23 VAL 361 28.224 12.711 21.639 193 H VAL 362 HN VAL 362 28.782 9.124 25.854 194 HA VAL 362 HA VAL 362 27.899 11.582 27.220 195 HB VAL 362 HB VAL 362 26.377 8.964 27.226 196 HG11 VAL 362 HG11 VAL 362 24.672 10.526 28.382 197 HG12 VAL 362 HG12 VAL 362 26.039 11.608 28.646 198 HG13 VAL 362 HG13 VAL 362 26.051 9.984 29.338 199 HG21 VAL 362 HG21 VAL 362 25.604 9.800 25.249 200 HG22 VAL 362 HG22 VAL 362 26.210 11.421 25.587 201 HG23 VAL 362 HG23 VAL 362 24.678 10.889 26.281 202 H MET 363 HN MET 363 28.392 11.672 29.375 203 HA MET 363 HA MET 363 29.299 9.278 30.769 204 HB2 MET 363 HB2 MET 363 31.343 10.991 31.421 205 HB3 MET 363 HB1 MET 363 31.463 9.671 30.257 206 HG2 MET 363 HG2 MET 363 32.253 11.865 29.340 207 HG3 MET 363 HG1 MET 363 30.916 11.172 28.423 208 HE1 MET 363 HE1 MET 363 31.960 14.155 28.397 209 HE2 MET 363 HE2 MET 363 32.329 14.155 30.119 210 HE3 MET 363 HE3 MET 363 31.154 15.300 29.477 211 H ARG 364 HN ARG 364 29.215 9.462 32.999 212 HA ARG 364 HA ARG 364 28.816 11.986 34.317 213 HE ARG 364 HE ARG 364 25.703 13.959 36.760 214 HB2 ARG 364 HB2 ARG 364 26.564 11.482 33.253 215 HB3 ARG 364 HB1 ARG 364 26.466 10.088 34.330 216 HG2 ARG 364 HG2 ARG 364 25.591 11.496 35.862 217 HG3 ARG 364 HG1 ARG 364 27.214 12.169 36.019 218 HD2 ARG 364 HD2 ARG 364 26.678 13.728 34.124 219 HD3 ARG 364 HD1 ARG 364 25.021 13.132 34.164 220 HH11 ARG 364 HH21 ARG 364 25.252 15.243 33.578 221 HH12 ARG 364 HH22 ARG 364 24.736 16.801 34.130 222 HH21 ARG 364 HH11 ARG 364 25.027 16.000 37.491 223 HH22 ARG 364 HH12 ARG 364 24.607 17.230 36.346 224 HA PRO 365 HA PRO 365 30.265 8.142 36.698 225 HB2 PRO 365 HB2 PRO 365 32.818 9.077 37.154 226 HB3 PRO 365 HB1 PRO 365 32.371 8.032 35.792 227 HG2 PRO 365 HG2 PRO 365 32.757 10.985 35.864 228 HG3 PRO 365 HG1 PRO 365 33.235 9.814 34.622 229 HD2 PRO 365 HD2 PRO 365 31.056 11.395 34.345 230 HD3 PRO 365 HD1 PRO 365 31.116 9.748 33.678 231 H LYS 366 HN LYS 366 31.291 11.526 37.216 232 HA LYS 366 HA LYS 366 31.211 12.887 39.065 233 HB2 LYS 366 HB2 LYS 366 29.103 11.011 40.140 234 HB3 LYS 366 HB1 LYS 366 29.302 12.731 40.477 235 HG2 LYS 366 HG2 LYS 366 28.958 13.088 37.949 236 HG3 LYS 366 HG1 LYS 366 28.367 11.426 37.921 237 HD2 LYS 366 HD2 LYS 366 27.266 13.666 39.645 238 HD3 LYS 366 HD1 LYS 366 26.495 13.002 38.203 239 HE2 LYS 366 HE2 LYS 366 25.418 11.740 39.805 240 HE3 LYS 366 HE1 LYS 366 26.826 10.711 39.539 241 HZ1 LYS 366 HZ1 LYS 366 27.601 12.606 41.388 242 HZ2 LYS 366 HZ2 LYS 366 27.291 10.960 41.675 243 HZ3 LYS 366 HZ3 LYS 366 26.056 12.108 41.879 244 H LYS 367 HN LYS 367 33.284 11.172 39.123 245 HA LYS 367 HA LYS 367 34.779 10.070 40.481 246 HB2 LYS 367 HB2 LYS 367 33.393 12.028 42.267 247 HB3 LYS 367 HB1 LYS 367 34.516 10.870 42.980 248 HG2 LYS 367 HG2 LYS 367 36.286 11.603 41.453 249 HG3 LYS 367 HG1 LYS 367 35.168 12.720 40.668 250 HD2 LYS 367 HD2 LYS 367 35.262 13.043 43.584 251 HD3 LYS 367 HD1 LYS 367 36.812 13.351 42.800 252 HE2 LYS 367 HE2 LYS 367 34.168 14.609 42.009 253 HE3 LYS 367 HE1 LYS 367 35.445 15.410 42.923 254 HZ1 LYS 367 HZ1 LYS 367 35.387 14.632 40.097 255 HZ2 LYS 367 HZ2 LYS 367 36.883 14.645 40.902 256 HZ3 LYS 367 HZ3 LYS 367 35.952 16.063 40.812 257 H1 ACE 336 HA2 ACE 336 38.483 9.049 -8.497 258 H2 ACE 336 HA3 ACE 336 38.507 10.743 -8.009 259 H3 ACE 336 HA1 ACE 336 36.979 9.968 -8.423 260 HN1 NH2 368 HN1 NH2 368 31.831 8.968 40.252 261 HN2 NH2 368 HN2 NH2 368 31.784 7.805 41.487 Start of MODEL 33 1 HA LYS 337 HA LYS 337 36.433 8.162 -4.620 2 H1 LYS 337 HN LYS 337 35.584 9.977 -6.633 3 HB2 LYS 337 HB2 LYS 337 36.977 9.625 -2.822 4 HB3 LYS 337 HB1 LYS 337 37.957 10.139 -4.191 5 HG2 LYS 337 HG2 LYS 337 35.418 11.445 -3.165 6 HG3 LYS 337 HG1 LYS 337 37.042 12.123 -3.172 7 HD2 LYS 337 HD2 LYS 337 36.964 11.846 -5.732 8 HD3 LYS 337 HD1 LYS 337 35.224 11.616 -5.528 9 HE2 LYS 337 HE2 LYS 337 36.815 14.022 -4.593 10 HE3 LYS 337 HE1 LYS 337 35.733 13.979 -5.984 11 HZ1 LYS 337 HZ1 LYS 337 34.424 12.989 -3.677 12 HZ2 LYS 337 HZ2 LYS 337 34.000 14.302 -4.668 13 HZ3 LYS 337 HZ3 LYS 337 35.063 14.528 -3.362 14 H SER 338 HN SER 338 34.083 9.104 -6.278 15 HA SER 338 HA SER 338 32.143 9.424 -4.065 16 HG SER 338 HG SER 338 31.579 9.597 -7.591 17 HB2 SER 338 HB2 SER 338 30.664 10.510 -5.739 18 HB3 SER 338 HB1 SER 338 32.159 11.401 -5.473 19 H TYR 339 HN TYR 339 32.527 6.951 -4.149 20 HA TYR 339 HA TYR 339 30.216 5.704 -5.025 21 HD1 TYR 339 HD1 TYR 339 33.865 5.655 -5.465 22 HD2 TYR 339 HD2 TYR 339 31.856 6.432 -9.182 23 HE1 TYR 339 HE1 TYR 339 35.921 6.680 -6.353 24 HE2 TYR 339 HE2 TYR 339 33.925 7.464 -10.076 25 HH TYR 339 HH TYR 339 36.943 7.439 -8.216 26 HB2 TYR 339 HB2 TYR 339 31.474 4.277 -6.907 27 HB3 TYR 339 HB1 TYR 339 30.604 5.757 -7.274 28 H MET 340 HN MET 340 32.886 3.777 -5.949 29 HA MET 340 HA MET 340 32.537 1.953 -3.807 30 HB2 MET 340 HB2 MET 340 34.379 0.746 -4.764 31 HB3 MET 340 HB1 MET 340 33.430 1.404 -6.098 32 HG2 MET 340 HG2 MET 340 35.156 3.464 -5.643 33 HG3 MET 340 HG1 MET 340 36.171 2.086 -5.218 34 HE1 MET 340 HE1 MET 340 36.289 3.727 -9.063 35 HE2 MET 340 HE2 MET 340 36.518 4.228 -7.390 36 HE3 MET 340 HE3 MET 340 34.909 4.279 -8.105 37 H ALA 341 HN ALA 341 33.917 4.944 -3.796 38 HA ALA 341 HA ALA 341 36.082 4.296 -1.932 39 HB1 ALA 341 HB1 ALA 341 36.364 5.949 -3.822 40 HB2 ALA 341 HB2 ALA 341 36.788 6.563 -2.224 41 HB3 ALA 341 HB3 ALA 341 35.247 7.008 -2.960 42 H TYR 342 HN TYR 342 32.906 5.800 -2.002 43 HA TYR 342 HA TYR 342 33.192 6.690 0.771 44 HD1 TYR 342 HD1 TYR 342 29.488 6.986 1.247 45 HD2 TYR 342 HD2 TYR 342 30.700 6.557 -2.850 46 HE1 TYR 342 HE1 TYR 342 27.277 6.009 0.694 47 HE2 TYR 342 HE2 TYR 342 28.492 5.579 -3.404 48 HH TYR 342 HH TYR 342 26.658 4.357 -2.154 49 HB2 TYR 342 HB2 TYR 342 31.482 8.144 0.357 50 HB3 TYR 342 HB1 TYR 342 32.000 7.892 -1.311 51 H LEU 343 HN LEU 343 31.095 4.536 -1.154 52 HA LEU 343 HA LEU 343 29.472 3.661 0.960 53 HG LEU 343 HG LEU 343 31.480 2.530 -1.807 54 HB2 LEU 343 HB2 LEU 343 28.867 1.803 -0.481 55 HB3 LEU 343 HB1 LEU 343 29.010 3.263 -1.448 56 HD11 LEU 343 HD11 LEU 343 30.435 0.231 -0.350 57 HD12 LEU 343 HD12 LEU 343 32.088 0.602 -0.824 58 HD13 LEU 343 HD13 LEU 343 31.016 -0.226 -1.948 59 HD21 LEU 343 HD21 LEU 343 30.255 2.540 -3.754 60 HD22 LEU 343 HD22 LEU 343 28.979 1.526 -3.081 61 HD23 LEU 343 HD23 LEU 343 30.500 0.801 -3.597 62 H SER 344 HN SER 344 32.758 3.048 0.286 63 HA SER 344 HA SER 344 32.847 0.562 1.817 64 HG SER 344 HG SER 344 34.327 -0.675 0.473 65 HB2 SER 344 HB2 SER 344 34.761 2.096 0.119 66 HB3 SER 344 HB1 SER 344 35.422 1.055 1.378 67 H ALA 345 HN ALA 345 32.602 3.724 2.570 68 HA ALA 345 HA ALA 345 34.270 3.463 5.003 69 HB1 ALA 345 HB1 ALA 345 33.514 5.958 3.466 70 HB2 ALA 345 HB2 ALA 345 35.118 5.229 3.548 71 HB3 ALA 345 HB3 ALA 345 34.395 5.939 4.993 72 H GLU 346 HN GLU 346 31.258 3.014 4.129 73 HA GLU 346 HA GLU 346 30.191 4.033 6.659 74 HB2 GLU 346 HB2 GLU 346 28.150 4.882 5.480 75 HB3 GLU 346 HB1 GLU 346 29.611 5.809 5.128 76 HG2 GLU 346 HG2 GLU 346 29.493 5.298 2.938 77 HG3 GLU 346 HG1 GLU 346 29.338 3.578 3.296 78 H LEU 347 HN LEU 347 30.601 1.556 6.733 79 HA LEU 347 HA LEU 347 28.037 0.255 6.113 80 HG LEU 347 HG LEU 347 31.466 -0.385 6.487 81 HB2 LEU 347 HB2 LEU 347 29.296 -1.804 5.445 82 HB3 LEU 347 HB1 LEU 347 29.509 -0.451 4.331 83 HD11 LEU 347 HD11 LEU 347 31.428 -2.806 4.659 84 HD12 LEU 347 HD12 LEU 347 31.206 -2.831 6.408 85 HD13 LEU 347 HD13 LEU 347 32.760 -2.353 5.724 86 HD21 LEU 347 HD21 LEU 347 31.602 0.896 4.381 87 HD22 LEU 347 HD22 LEU 347 31.688 -0.614 3.470 88 HD23 LEU 347 HD23 LEU 347 32.998 -0.167 4.564 89 H PHE 348 HN PHE 348 30.090 1.188 8.405 90 HA PHE 348 HA PHE 348 29.423 -1.072 10.192 91 HD1 PHE 348 HD1 PHE 348 31.878 1.195 8.125 92 HD2 PHE 348 HD2 PHE 348 32.679 0.935 12.336 93 HE1 PHE 348 HE1 PHE 348 33.074 3.353 8.023 94 HE2 PHE 348 HE2 PHE 348 33.885 3.099 12.237 95 HZ PHE 348 HZ PHE 348 34.084 4.310 10.082 96 HB2 PHE 348 HB2 PHE 348 31.581 -0.836 11.276 97 HB3 PHE 348 HB1 PHE 348 31.848 -1.063 9.548 98 H HIS 349 HN HIS 349 30.011 2.360 9.755 99 HA HIS 349 HA HIS 349 29.811 3.383 12.280 100 HD2 HIS 349 HD2 HIS 349 28.424 3.303 7.995 101 HE1 HIS 349 HE1 HIS 349 24.949 5.534 8.874 102 HE2 HIS 349 HE2 HIS 349 26.041 3.992 7.177 103 HB2 HIS 349 HB2 HIS 349 29.043 5.402 11.307 104 HB3 HIS 349 HB1 HIS 349 30.021 4.628 10.062 105 H LEU 350 HN LEU 350 27.228 2.025 10.312 106 HA LEU 350 HA LEU 350 24.933 2.788 11.514 107 HG LEU 350 HG LEU 350 27.023 0.098 10.365 108 HB2 LEU 350 HB2 LEU 350 24.643 0.002 11.376 109 HB3 LEU 350 HB1 LEU 350 24.202 1.171 10.136 110 HD11 LEU 350 HD11 LEU 350 26.387 -1.543 8.620 111 HD12 LEU 350 HD12 LEU 350 24.702 -1.050 8.790 112 HD13 LEU 350 HD13 LEU 350 25.533 -1.831 10.136 113 HD21 LEU 350 HD21 LEU 350 25.888 2.117 8.843 114 HD22 LEU 350 HD22 LEU 350 25.836 0.736 7.751 115 HD23 LEU 350 HD23 LEU 350 27.373 1.258 8.438 116 H SER 351 HN SER 351 27.244 0.419 12.793 117 HA SER 351 HA SER 351 25.783 -0.449 15.004 118 HG SER 351 HG SER 351 29.209 -0.934 16.375 119 HB2 SER 351 HB2 SER 351 27.695 -1.695 14.592 120 HB3 SER 351 HB1 SER 351 28.705 -0.268 14.380 121 H GLY 352 HN GLY 352 24.757 1.770 15.505 122 HA2 GLY 352 HA2 GLY 352 25.022 2.736 17.899 123 HA3 GLY 352 HA1 GLY 352 26.507 3.412 17.225 124 H ILE 353 HN ILE 353 25.515 3.824 14.621 125 HA ILE 353 HA ILE 353 23.982 6.274 15.052 126 HB ILE 353 HB ILE 353 25.594 5.133 12.784 127 HG12 ILE 353 HG12 ILE 353 25.884 7.925 13.730 128 HG13 ILE 353 HG11 ILE 353 26.289 6.686 14.917 129 HG21 ILE 353 HG21 ILE 353 23.888 6.060 11.513 130 HG22 ILE 353 HG22 ILE 353 24.928 7.465 11.735 131 HG23 ILE 353 HG23 ILE 353 23.489 7.267 12.736 132 HD11 ILE 353 HD11 ILE 353 27.820 5.630 13.298 133 HD12 ILE 353 HD12 ILE 353 28.269 7.312 13.584 134 HD13 ILE 353 HD13 ILE 353 27.413 6.866 12.107 135 H MET 354 HN MET 354 23.662 3.053 13.963 136 HA MET 354 HA MET 354 21.432 3.365 12.221 137 HB2 MET 354 HB2 MET 354 21.284 0.985 12.243 138 HB3 MET 354 HB1 MET 354 22.994 1.404 12.242 139 HG2 MET 354 HG2 MET 354 22.705 1.312 14.864 140 HG3 MET 354 HG1 MET 354 21.320 0.299 14.465 141 HE1 MET 354 HE1 MET 354 22.845 -2.962 14.555 142 HE2 MET 354 HE2 MET 354 21.437 -2.141 13.884 143 HE3 MET 354 HE3 MET 354 21.993 -1.740 15.508 144 H ALA 355 HN ALA 355 21.871 2.735 15.636 145 HA ALA 355 HA ALA 355 19.180 2.057 16.244 146 HB1 ALA 355 HB1 ALA 355 21.674 2.350 17.652 147 HB2 ALA 355 HB2 ALA 355 20.228 1.462 18.132 148 HB3 ALA 355 HB3 ALA 355 20.388 3.171 18.537 149 H LEU 356 HN LEU 356 20.599 4.949 15.318 150 HA LEU 356 HA LEU 356 18.304 6.443 16.409 151 HG LEU 356 HG LEU 356 21.755 6.469 15.635 152 HB2 LEU 356 HB2 LEU 356 19.797 8.433 16.646 153 HB3 LEU 356 HB1 LEU 356 20.178 7.125 17.761 154 HD11 LEU 356 HD11 LEU 356 21.723 9.496 15.832 155 HD12 LEU 356 HD12 LEU 356 21.151 8.562 14.450 156 HD13 LEU 356 HD13 LEU 356 22.859 8.538 14.883 157 HD21 LEU 356 HD21 LEU 356 22.493 6.535 17.950 158 HD22 LEU 356 HD22 LEU 356 22.356 8.292 17.981 159 HD23 LEU 356 HD23 LEU 356 23.595 7.521 16.989 160 H ILE 357 HN ILE 357 19.991 5.368 13.740 161 HA ILE 357 HA ILE 357 20.146 7.360 11.901 162 HB ILE 357 HB ILE 357 19.492 4.510 11.799 163 HG12 ILE 357 HG12 ILE 357 21.690 5.410 11.192 164 HG13 ILE 357 HG11 ILE 357 20.975 4.588 9.815 165 HG21 ILE 357 HG21 ILE 357 18.632 4.548 9.448 166 HG22 ILE 357 HG22 ILE 357 18.363 6.279 9.612 167 HG23 ILE 357 HG23 ILE 357 17.473 5.142 10.633 168 HD11 ILE 357 HD11 ILE 357 21.740 7.381 10.125 169 HD12 ILE 357 HD12 ILE 357 20.076 7.218 9.575 170 HD13 ILE 357 HD13 ILE 357 21.384 6.479 8.653 171 H ALA 358 HN ALA 358 17.200 5.867 13.112 172 HA ALA 358 HA ALA 358 15.527 7.651 11.506 173 HB1 ALA 358 HB1 ALA 358 15.200 5.086 12.736 174 HB2 ALA 358 HB2 ALA 358 14.113 5.921 11.627 175 HB3 ALA 358 HB3 ALA 358 13.969 6.181 13.366 176 H SER 359 HN SER 359 16.802 7.389 14.710 177 HA SER 359 HA SER 359 14.893 9.314 15.805 178 HG SER 359 HG SER 359 14.463 8.818 17.683 179 HB2 SER 359 HB2 SER 359 16.131 7.201 16.953 180 HB3 SER 359 HB1 SER 359 17.248 8.489 17.398 181 H GLY 360 HN GLY 360 17.517 9.563 13.890 182 HA2 GLY 360 HA2 GLY 360 18.199 12.218 14.982 183 HA3 GLY 360 HA1 GLY 360 19.485 11.094 14.554 184 H VAL 361 HN VAL 361 16.415 11.964 12.953 185 HA VAL 361 HA VAL 361 17.644 13.439 10.865 186 HB VAL 361 HB VAL 361 18.413 11.072 10.352 187 HG11 VAL 361 HG11 VAL 361 16.144 10.092 11.015 188 HG12 VAL 361 HG12 VAL 361 16.837 9.492 9.509 189 HG13 VAL 361 HG13 VAL 361 15.545 10.691 9.466 190 HG21 VAL 361 HG21 VAL 361 16.789 12.768 8.457 191 HG22 VAL 361 HG22 VAL 361 17.573 11.290 7.900 192 HG23 VAL 361 HG23 VAL 361 18.542 12.606 8.564 193 H VAL 362 HN VAL 362 14.939 11.305 11.717 194 HA VAL 362 HA VAL 362 12.672 11.520 11.443 195 HB VAL 362 HB VAL 362 13.523 14.409 11.624 196 HG11 VAL 362 HG11 VAL 362 11.012 14.744 12.111 197 HG12 VAL 362 HG12 VAL 362 10.777 13.196 11.301 198 HG13 VAL 362 HG13 VAL 362 11.483 14.552 10.422 199 HG21 VAL 362 HG21 VAL 362 12.499 14.194 13.867 200 HG22 VAL 362 HG22 VAL 362 13.789 13.013 13.639 201 HG23 VAL 362 HG23 VAL 362 12.103 12.511 13.519 202 H MET 363 HN MET 363 10.986 12.014 9.910 203 HA MET 363 HA MET 363 11.759 13.196 7.362 204 HB2 MET 363 HB2 MET 363 10.564 10.850 6.511 205 HB3 MET 363 HB1 MET 363 12.289 11.221 6.426 206 HG2 MET 363 HG2 MET 363 12.710 10.137 8.529 207 HG3 MET 363 HG1 MET 363 10.985 9.989 8.865 208 HE1 MET 363 HE1 MET 363 13.727 7.598 8.256 209 HE2 MET 363 HE2 MET 363 12.430 6.413 8.388 210 HE3 MET 363 HE3 MET 363 12.439 7.821 9.447 211 H ARG 364 HN ARG 364 9.240 10.832 8.132 212 HA ARG 364 HA ARG 364 7.228 12.967 8.001 213 HE ARG 364 HE ARG 364 5.569 11.886 3.758 214 HB2 ARG 364 HB2 ARG 364 7.571 11.676 5.783 215 HB3 ARG 364 HB1 ARG 364 6.775 10.339 6.614 216 HG2 ARG 364 HG2 ARG 364 4.869 11.330 5.847 217 HG3 ARG 364 HG1 ARG 364 5.092 12.389 7.240 218 HD2 ARG 364 HD2 ARG 364 4.837 13.897 5.451 219 HD3 ARG 364 HD1 ARG 364 6.583 13.803 5.661 220 HH11 ARG 364 HH21 ARG 364 6.587 15.149 4.292 221 HH12 ARG 364 HH22 ARG 364 7.041 15.423 2.642 222 HH21 ARG 364 HH11 ARG 364 6.163 12.237 1.594 223 HH22 ARG 364 HH12 ARG 364 6.800 13.775 1.116 224 HA PRO 365 HA PRO 365 6.380 10.000 11.435 225 HB2 PRO 365 HB2 PRO 365 6.749 11.663 13.514 226 HB3 PRO 365 HB1 PRO 365 8.129 10.924 12.674 227 HG2 PRO 365 HG2 PRO 365 7.037 13.685 12.450 228 HG3 PRO 365 HG1 PRO 365 8.720 13.133 12.444 229 HD2 PRO 365 HD2 PRO 365 7.225 13.766 10.175 230 HD3 PRO 365 HD1 PRO 365 8.711 12.790 10.181 231 H LYS 366 HN LYS 366 5.244 13.204 10.660 232 HA LYS 366 HA LYS 366 3.220 14.254 10.909 233 HB2 LYS 366 HB2 LYS 366 2.238 11.396 11.124 234 HB3 LYS 366 HB1 LYS 366 1.224 12.806 10.821 235 HG2 LYS 366 HG2 LYS 366 1.602 12.450 8.622 236 HG3 LYS 366 HG1 LYS 366 3.240 13.032 8.915 237 HD2 LYS 366 HD2 LYS 366 3.401 10.874 7.830 238 HD3 LYS 366 HD1 LYS 366 3.897 10.676 9.508 239 HE2 LYS 366 HE2 LYS 366 1.074 10.311 9.407 240 HE3 LYS 366 HE1 LYS 366 1.784 9.339 8.119 241 HZ1 LYS 366 HZ1 LYS 366 3.376 9.103 10.414 242 HZ2 LYS 366 HZ2 LYS 366 2.484 7.897 9.618 243 HZ3 LYS 366 HZ3 LYS 366 1.765 8.812 10.857 244 H LYS 367 HN LYS 367 4.812 13.010 13.342 245 HA LYS 367 HA LYS 367 4.629 13.015 15.634 246 HB2 LYS 367 HB2 LYS 367 2.852 15.246 14.727 247 HB3 LYS 367 HB1 LYS 367 2.856 14.798 16.433 248 HG2 LYS 367 HG2 LYS 367 5.496 15.121 15.068 249 HG3 LYS 367 HG1 LYS 367 4.591 16.579 15.474 250 HD2 LYS 367 HD2 LYS 367 4.652 16.135 17.775 251 HD3 LYS 367 HD1 LYS 367 4.968 14.417 17.531 252 HE2 LYS 367 HE2 LYS 367 7.223 14.882 16.765 253 HE3 LYS 367 HE1 LYS 367 6.920 16.620 16.808 254 HZ1 LYS 367 HZ1 LYS 367 6.245 15.770 19.303 255 HZ2 LYS 367 HZ2 LYS 367 7.700 16.534 18.873 256 HZ3 LYS 367 HZ3 LYS 367 7.614 14.838 18.938 257 H1 ACE 336 HA2 ACE 336 36.607 10.026 -8.565 258 H2 ACE 336 HA3 ACE 336 38.104 9.112 -8.751 259 H3 ACE 336 HA1 ACE 336 38.156 10.792 -8.219 260 HN1 NH2 368 HN1 NH2 368 1.175 13.780 15.178 261 HN2 NH2 368 HN2 NH2 368 0.606 12.310 15.807 Start of MODEL 34 1 HA LYS 337 HA LYS 337 36.600 8.119 -4.609 2 H1 LYS 337 HN LYS 337 35.861 9.849 -6.734 3 HB2 LYS 337 HB2 LYS 337 37.034 9.651 -2.839 4 HB3 LYS 337 HB1 LYS 337 38.089 10.120 -4.168 5 HG2 LYS 337 HG2 LYS 337 35.491 11.448 -3.338 6 HG3 LYS 337 HG1 LYS 337 37.110 12.134 -3.281 7 HD2 LYS 337 HD2 LYS 337 37.177 11.762 -5.827 8 HD3 LYS 337 HD1 LYS 337 35.431 11.525 -5.715 9 HE2 LYS 337 HE2 LYS 337 35.927 13.870 -6.229 10 HE3 LYS 337 HE1 LYS 337 35.219 13.741 -4.620 11 HZ1 LYS 337 HZ1 LYS 337 37.615 14.916 -5.277 12 HZ2 LYS 337 HZ2 LYS 337 38.043 13.454 -4.524 13 HZ3 LYS 337 HZ3 LYS 337 37.048 14.569 -3.716 14 H SER 338 HN SER 338 34.340 8.998 -6.433 15 HA SER 338 HA SER 338 32.283 9.429 -4.348 16 HG SER 338 HG SER 338 31.836 10.689 -8.158 17 HB2 SER 338 HB2 SER 338 30.887 10.330 -6.229 18 HB3 SER 338 HB1 SER 338 32.309 11.299 -5.855 19 H TYR 339 HN TYR 339 32.753 6.936 -4.280 20 HA TYR 339 HA TYR 339 30.469 5.612 -5.142 21 HD1 TYR 339 HD1 TYR 339 34.141 5.531 -5.466 22 HD2 TYR 339 HD2 TYR 339 32.208 6.187 -9.246 23 HE1 TYR 339 HE1 TYR 339 36.192 6.594 -6.324 24 HE2 TYR 339 HE2 TYR 339 34.273 7.252 -10.110 25 HH TYR 339 HH TYR 339 36.610 7.345 -9.681 26 HB2 TYR 339 HB2 TYR 339 31.826 4.080 -6.881 27 HB3 TYR 339 HB1 TYR 339 30.932 5.509 -7.370 28 H MET 340 HN MET 340 33.134 3.602 -5.833 29 HA MET 340 HA MET 340 32.712 1.960 -3.577 30 HB2 MET 340 HB2 MET 340 34.722 0.766 -4.328 31 HB3 MET 340 HB1 MET 340 33.661 1.128 -5.690 32 HG2 MET 340 HG2 MET 340 35.718 1.813 -6.535 33 HG3 MET 340 HG1 MET 340 35.109 3.322 -5.855 34 HE1 MET 340 HE1 MET 340 38.539 4.109 -4.714 35 HE2 MET 340 HE2 MET 340 37.013 4.606 -5.439 36 HE3 MET 340 HE3 MET 340 38.059 3.479 -6.295 37 H ALA 341 HN ALA 341 34.082 4.943 -3.710 38 HA ALA 341 HA ALA 341 36.157 4.445 -1.706 39 HB1 ALA 341 HB1 ALA 341 36.752 6.775 -2.037 40 HB2 ALA 341 HB2 ALA 341 35.294 7.041 -2.996 41 HB3 ALA 341 HB3 ALA 341 36.577 5.997 -3.610 42 H TYR 342 HN TYR 342 32.952 5.823 -2.029 43 HA TYR 342 HA TYR 342 33.050 6.825 0.724 44 HD1 TYR 342 HD2 TYR 342 29.338 7.161 0.954 45 HD2 TYR 342 HD1 TYR 342 30.787 6.608 -3.050 46 HE1 TYR 342 HE2 TYR 342 27.149 6.204 0.293 47 HE2 TYR 342 HE1 TYR 342 28.600 5.651 -3.712 48 HH TYR 342 HH TYR 342 26.469 5.322 -3.079 49 HB2 TYR 342 HB2 TYR 342 31.396 8.278 0.148 50 HB3 TYR 342 HB1 TYR 342 32.011 7.963 -1.477 51 H LEU 343 HN LEU 343 31.048 4.631 -1.282 52 HA LEU 343 HA LEU 343 29.343 3.814 0.802 53 HG LEU 343 HG LEU 343 31.446 2.087 -1.536 54 HB2 LEU 343 HB2 LEU 343 28.602 2.091 -0.632 55 HB3 LEU 343 HB1 LEU 343 29.086 3.390 -1.715 56 HD11 LEU 343 HD11 LEU 343 31.282 -0.186 -1.183 57 HD12 LEU 343 HD12 LEU 343 29.613 -0.260 -1.740 58 HD13 LEU 343 HD13 LEU 343 29.974 0.322 -0.118 59 HD21 LEU 343 HD21 LEU 343 30.655 0.868 -3.652 60 HD22 LEU 343 HD22 LEU 343 30.463 2.620 -3.644 61 HD23 LEU 343 HD23 LEU 343 29.073 1.583 -3.343 62 H SER 344 HN SER 344 32.633 3.129 0.195 63 HA SER 344 HA SER 344 32.657 0.670 1.763 64 HG SER 344 HG SER 344 34.187 -0.316 -0.232 65 HB2 SER 344 HB2 SER 344 34.877 2.277 0.479 66 HB3 SER 344 HB1 SER 344 35.119 0.768 1.355 67 H ALA 345 HN ALA 345 32.376 3.831 2.493 68 HA ALA 345 HA ALA 345 33.950 3.594 4.989 69 HB1 ALA 345 HB1 ALA 345 34.036 6.072 4.979 70 HB2 ALA 345 HB2 ALA 345 33.213 6.074 3.418 71 HB3 ALA 345 HB3 ALA 345 34.824 5.371 3.567 72 H GLU 346 HN GLU 346 30.990 3.068 4.029 73 HA GLU 346 HA GLU 346 29.810 4.090 6.506 74 HB2 GLU 346 HB2 GLU 346 27.793 4.881 5.239 75 HB3 GLU 346 HB1 GLU 346 29.245 5.843 4.950 76 HG2 GLU 346 HG2 GLU 346 29.283 5.296 2.764 77 HG3 GLU 346 HG1 GLU 346 29.057 3.584 3.118 78 H LEU 347 HN LEU 347 30.338 1.599 6.514 79 HA LEU 347 HA LEU 347 27.792 0.240 5.927 80 HG LEU 347 HG LEU 347 31.262 -0.146 6.114 81 HB2 LEU 347 HB2 LEU 347 29.065 -1.772 5.196 82 HB3 LEU 347 HB1 LEU 347 29.278 -0.396 4.111 83 HD11 LEU 347 HD11 LEU 347 32.466 -2.285 5.895 84 HD12 LEU 347 HD12 LEU 347 31.141 -2.937 4.929 85 HD13 LEU 347 HD13 LEU 347 30.881 -2.535 6.627 86 HD21 LEU 347 HD21 LEU 347 32.778 -0.534 4.172 87 HD22 LEU 347 HD22 LEU 347 31.471 0.585 3.786 88 HD23 LEU 347 HD23 LEU 347 31.393 -1.088 3.232 89 H PHE 348 HN PHE 348 29.907 1.195 8.189 90 HA PHE 348 HA PHE 348 29.153 -0.987 10.010 91 HD1 PHE 348 HD1 PHE 348 31.401 1.940 9.223 92 HD2 PHE 348 HD2 PHE 348 33.051 -1.910 8.276 93 HE1 PHE 348 HE1 PHE 348 32.799 2.978 7.477 94 HE2 PHE 348 HE2 PHE 348 34.459 -0.870 6.520 95 HZ PHE 348 HZ PHE 348 34.335 1.574 6.117 96 HB2 PHE 348 HB2 PHE 348 31.655 -0.429 10.909 97 HB3 PHE 348 HB1 PHE 348 31.284 -1.761 9.814 98 H HIS 349 HN HIS 349 29.242 2.243 9.318 99 HA HIS 349 HA HIS 349 29.938 3.423 11.780 100 HD2 HIS 349 HD2 HIS 349 27.945 3.262 7.759 101 HE1 HIS 349 HE1 HIS 349 24.470 5.234 9.123 102 HE2 HIS 349 HE2 HIS 349 25.432 3.780 7.276 103 HB2 HIS 349 HB2 HIS 349 28.865 5.418 10.956 104 HB3 HIS 349 HB1 HIS 349 29.713 4.645 9.618 105 H LEU 350 HN LEU 350 27.680 1.178 11.445 106 HA LEU 350 HA LEU 350 25.821 2.403 13.366 107 HG LEU 350 HG LEU 350 26.452 -0.018 10.796 108 HB2 LEU 350 HB2 LEU 350 24.411 0.298 12.432 109 HB3 LEU 350 HB1 LEU 350 24.328 1.903 11.710 110 HD11 LEU 350 HD11 LEU 350 24.734 -0.639 8.970 111 HD12 LEU 350 HD12 LEU 350 23.515 -0.069 10.109 112 HD13 LEU 350 HD13 LEU 350 24.564 -1.419 10.543 113 HD21 LEU 350 HD21 LEU 350 26.624 1.414 9.009 114 HD22 LEU 350 HD22 LEU 350 25.939 2.556 10.165 115 HD23 LEU 350 HD23 LEU 350 24.895 1.760 8.989 116 H SER 351 HN SER 351 26.823 -0.876 12.329 117 HA SER 351 HA SER 351 26.224 -2.208 14.669 118 HG SER 351 HG SER 351 29.561 -3.222 13.615 119 HB2 SER 351 HB2 SER 351 27.595 -3.970 13.899 120 HB3 SER 351 HB1 SER 351 27.032 -3.163 12.439 121 H GLY 352 HN GLY 352 26.746 -0.719 16.414 122 HA2 GLY 352 HA2 GLY 352 28.480 -1.186 18.242 123 HA3 GLY 352 HA1 GLY 352 29.634 -0.581 17.053 124 H ILE 353 HN ILE 353 28.139 1.406 15.901 125 HA ILE 353 HA ILE 353 28.189 3.449 17.990 126 HB ILE 353 HB ILE 353 28.015 3.571 14.975 127 HG12 ILE 353 HG12 ILE 353 30.225 4.889 16.395 128 HG13 ILE 353 HG11 ILE 353 30.183 3.141 16.638 129 HG21 ILE 353 HG21 ILE 353 28.644 6.097 15.791 130 HG22 ILE 353 HG22 ILE 353 27.548 5.604 17.079 131 HG23 ILE 353 HG23 ILE 353 27.006 5.576 15.401 132 HD11 ILE 353 HD11 ILE 353 30.094 2.794 14.201 133 HD12 ILE 353 HD12 ILE 353 31.520 3.734 14.643 134 HD13 ILE 353 HD13 ILE 353 30.115 4.539 13.947 135 H MET 354 HN MET 354 26.060 1.586 16.067 136 HA MET 354 HA MET 354 23.787 3.254 16.001 137 HB2 MET 354 HB2 MET 354 22.560 1.226 15.378 138 HB3 MET 354 HB1 MET 354 24.051 1.387 14.459 139 HG2 MET 354 HG2 MET 354 24.462 -0.742 15.116 140 HG3 MET 354 HG1 MET 354 24.893 -0.025 16.666 141 HE1 MET 354 HE1 MET 354 24.375 -2.684 17.149 142 HE2 MET 354 HE2 MET 354 23.525 -2.987 15.636 143 HE3 MET 354 HE3 MET 354 22.744 -3.369 17.168 144 H ALA 355 HN ALA 355 24.944 0.821 18.252 145 HA ALA 355 HA ALA 355 22.559 0.641 19.804 146 HB1 ALA 355 HB1 ALA 355 24.739 -0.068 21.423 147 HB2 ALA 355 HB2 ALA 355 25.206 -0.522 19.782 148 HB3 ALA 355 HB3 ALA 355 23.716 -1.157 20.484 149 H LEU 356 HN LEU 356 24.777 3.070 19.401 150 HA LEU 356 HA LEU 356 24.094 4.251 22.022 151 HG LEU 356 HG LEU 356 26.643 3.386 19.660 152 HB2 LEU 356 HB2 LEU 356 26.473 5.451 21.141 153 HB3 LEU 356 HB1 LEU 356 26.285 4.350 22.502 154 HD11 LEU 356 HD11 LEU 356 28.642 4.589 20.069 155 HD12 LEU 356 HD12 LEU 356 29.037 2.920 20.481 156 HD13 LEU 356 HD13 LEU 356 28.692 4.086 21.759 157 HD21 LEU 356 HD21 LEU 356 26.416 1.336 20.573 158 HD22 LEU 356 HD22 LEU 356 26.010 2.097 22.110 159 HD23 LEU 356 HD23 LEU 356 27.685 1.687 21.745 160 H ILE 357 HN ILE 357 24.188 4.493 18.601 161 HA ILE 357 HA ILE 357 24.414 7.081 17.911 162 HB ILE 357 HB ILE 357 22.601 4.920 17.053 163 HG12 ILE 357 HG12 ILE 357 24.730 5.378 15.912 164 HG13 ILE 357 HG11 ILE 357 23.383 5.612 14.812 165 HG21 ILE 357 HG21 ILE 357 21.863 7.807 16.515 166 HG22 ILE 357 HG22 ILE 357 20.847 6.546 17.225 167 HG23 ILE 357 HG23 ILE 357 21.304 6.459 15.528 168 HD11 ILE 357 HD11 ILE 357 25.365 7.532 15.774 169 HD12 ILE 357 HD12 ILE 357 23.715 8.125 15.951 170 HD13 ILE 357 HD13 ILE 357 24.307 7.625 14.368 171 H ALA 358 HN ALA 358 21.620 5.738 19.620 172 HA ALA 358 HA ALA 358 20.485 8.422 19.937 173 HB1 ALA 358 HB1 ALA 358 19.337 5.866 21.042 174 HB2 ALA 358 HB2 ALA 358 19.122 6.324 19.352 175 HB3 ALA 358 HB3 ALA 358 18.497 7.363 20.634 176 H SER 359 HN SER 359 22.348 6.106 21.683 177 HA SER 359 HA SER 359 21.715 7.289 24.280 178 HG SER 359 HG SER 359 24.594 5.794 23.340 179 HB2 SER 359 HB2 SER 359 22.520 5.373 25.176 180 HB3 SER 359 HB1 SER 359 22.375 4.743 23.538 181 H GLY 360 HN GLY 360 23.614 8.159 21.761 182 HA2 GLY 360 HA2 GLY 360 25.490 9.575 23.541 183 HA3 GLY 360 HA1 GLY 360 26.119 8.680 22.162 184 H VAL 361 HN VAL 361 23.255 10.766 22.533 185 HA VAL 361 HA VAL 361 24.338 12.935 21.043 186 HB VAL 361 HB VAL 361 23.899 11.019 19.315 187 HG11 VAL 361 HG11 VAL 361 21.128 12.196 19.393 188 HG12 VAL 361 HG12 VAL 361 21.521 10.768 20.348 189 HG13 VAL 361 HG13 VAL 361 21.680 10.725 18.593 190 HG21 VAL 361 HG21 VAL 361 24.503 13.119 18.449 191 HG22 VAL 361 HG22 VAL 361 23.091 13.916 19.142 192 HG23 VAL 361 HG23 VAL 361 22.909 12.860 17.741 193 H VAL 362 HN VAL 362 21.860 11.320 22.723 194 HA VAL 362 HA VAL 362 19.891 13.442 22.415 195 HB VAL 362 HB VAL 362 19.483 10.869 22.744 196 HG11 VAL 362 HG11 VAL 362 20.857 11.032 24.947 197 HG12 VAL 362 HG12 VAL 362 19.360 10.101 24.965 198 HG13 VAL 362 HG13 VAL 362 19.390 11.734 25.629 199 HG21 VAL 362 HG21 VAL 362 17.995 13.216 23.876 200 HG22 VAL 362 HG22 VAL 362 17.387 11.591 24.191 201 HG23 VAL 362 HG23 VAL 362 17.558 12.163 22.531 202 H MET 363 HN MET 363 22.616 12.884 24.272 203 HA MET 363 HA MET 363 22.162 13.631 26.838 204 HB2 MET 363 HB2 MET 363 24.337 14.687 25.018 205 HB3 MET 363 HB1 MET 363 24.359 14.789 26.779 206 HG2 MET 363 HG2 MET 363 24.341 12.373 26.979 207 HG3 MET 363 HG1 MET 363 24.119 12.192 25.238 208 HE1 MET 363 HE1 MET 363 27.770 10.995 26.373 209 HE2 MET 363 HE2 MET 363 26.289 10.453 25.590 210 HE3 MET 363 HE3 MET 363 26.248 10.972 27.273 211 H ARG 364 HN ARG 364 22.414 15.757 27.931 212 HA ARG 364 HA ARG 364 21.505 18.062 26.366 213 HE ARG 364 HE ARG 364 17.900 20.823 26.874 214 HB2 ARG 364 HB2 ARG 364 19.504 16.779 27.319 215 HB3 ARG 364 HB1 ARG 364 20.072 17.298 28.907 216 HG2 ARG 364 HG2 ARG 364 18.781 19.131 28.495 217 HG3 ARG 364 HG1 ARG 364 20.172 19.655 27.546 218 HD2 ARG 364 HD2 ARG 364 19.177 18.606 25.534 219 HD3 ARG 364 HD1 ARG 364 17.775 18.131 26.487 220 HH11 ARG 364 HH21 ARG 364 17.963 18.760 24.097 221 HH12 ARG 364 HH22 ARG 364 17.205 19.913 23.051 222 HH21 ARG 364 HH11 ARG 364 16.907 22.342 25.508 223 HH22 ARG 364 HH12 ARG 364 16.608 21.942 23.850 224 HA PRO 365 HA PRO 365 24.526 19.146 29.682 225 HB2 PRO 365 HB2 PRO 365 26.476 20.142 28.079 226 HB3 PRO 365 HB1 PRO 365 26.320 18.410 28.429 227 HG2 PRO 365 HG2 PRO 365 25.600 19.915 25.985 228 HG3 PRO 365 HG1 PRO 365 26.175 18.252 26.162 229 HD2 PRO 365 HD2 PRO 365 23.511 19.039 25.759 230 HD3 PRO 365 HD1 PRO 365 24.052 17.434 26.294 231 H LYS 366 HN LYS 366 23.927 21.022 26.704 232 HA LYS 366 HA LYS 366 23.359 23.221 26.366 233 HB2 LYS 366 HB2 LYS 366 22.634 23.385 29.286 234 HB3 LYS 366 HB1 LYS 366 21.931 24.262 27.929 235 HG2 LYS 366 HG2 LYS 366 21.264 21.917 27.036 236 HG3 LYS 366 HG1 LYS 366 21.566 21.369 28.685 237 HD2 LYS 366 HD2 LYS 366 19.665 23.595 27.891 238 HD3 LYS 366 HD1 LYS 366 19.192 21.968 28.382 239 HE2 LYS 366 HE2 LYS 366 20.555 22.445 30.534 240 HE3 LYS 366 HE1 LYS 366 20.458 24.137 30.049 241 HZ1 LYS 366 HZ1 LYS 366 18.603 23.808 31.392 242 HZ2 LYS 366 HZ2 LYS 366 18.256 22.287 30.722 243 HZ3 LYS 366 HZ3 LYS 366 17.977 23.698 29.819 244 H LYS 367 HN LYS 367 25.869 22.221 28.169 245 HA LYS 367 HA LYS 367 27.782 23.197 28.985 246 HB2 LYS 367 HB2 LYS 367 26.931 25.530 27.255 247 HB3 LYS 367 HB1 LYS 367 28.562 25.179 27.827 248 HG2 LYS 367 HG2 LYS 367 27.706 22.811 26.586 249 HG3 LYS 367 HG1 LYS 367 27.169 24.109 25.518 250 HD2 LYS 367 HD2 LYS 367 29.986 23.753 26.583 251 HD3 LYS 367 HD1 LYS 367 29.456 23.399 24.939 252 HE2 LYS 367 HE2 LYS 367 28.563 26.000 25.371 253 HE3 LYS 367 HE1 LYS 367 30.147 25.966 26.147 254 HZ1 LYS 367 HZ1 LYS 367 30.288 26.549 23.794 255 HZ2 LYS 367 HZ2 LYS 367 29.578 25.063 23.375 256 HZ3 LYS 367 HZ3 LYS 367 31.103 25.099 24.124 257 H1 ACE 336 HA2 ACE 336 38.462 8.910 -8.681 258 H2 ACE 336 HA3 ACE 336 38.555 10.605 -8.201 259 H3 ACE 336 HA1 ACE 336 36.994 9.884 -8.592 260 HN1 NH2 368 HN1 NH2 368 28.595 25.095 30.368 261 HN2 NH2 368 HN2 NH2 368 27.452 25.907 31.324 Start of MODEL 35 1 HA LYS 337 HA LYS 337 37.044 8.688 -5.835 2 H1 LYS 337 HN LYS 337 35.147 8.952 -7.817 3 HB2 LYS 337 HB2 LYS 337 36.828 10.982 -4.707 4 HB3 LYS 337 HB1 LYS 337 37.914 10.882 -6.082 5 HG2 LYS 337 HG2 LYS 337 36.761 12.722 -6.793 6 HG3 LYS 337 HG1 LYS 337 35.570 11.551 -7.339 7 HD2 LYS 337 HD2 LYS 337 34.580 11.735 -4.958 8 HD3 LYS 337 HD1 LYS 337 35.549 13.202 -4.823 9 HE2 LYS 337 HE2 LYS 337 33.514 12.636 -6.997 10 HE3 LYS 337 HE1 LYS 337 33.264 13.709 -5.619 11 HZ1 LYS 337 HZ1 LYS 337 35.247 14.968 -6.398 12 HZ2 LYS 337 HZ2 LYS 337 33.918 15.033 -7.456 13 HZ3 LYS 337 HZ3 LYS 337 35.240 14.025 -7.808 14 H SER 338 HN SER 338 33.880 9.629 -6.831 15 HA SER 338 HA SER 338 32.817 9.197 -4.115 16 HG SER 338 HG SER 338 30.049 10.591 -4.473 17 HB2 SER 338 HB2 SER 338 31.973 11.234 -4.915 18 HB3 SER 338 HB1 SER 338 31.760 10.612 -6.549 19 H TYR 339 HN TYR 339 32.814 6.966 -4.021 20 HA TYR 339 HA TYR 339 30.572 5.596 -4.900 21 HD1 TYR 339 HD1 TYR 339 34.212 5.660 -5.091 22 HD2 TYR 339 HD2 TYR 339 32.562 5.789 -9.058 23 HE1 TYR 339 HE1 TYR 339 36.358 6.482 -5.944 24 HE2 TYR 339 HE2 TYR 339 34.734 6.617 -9.920 25 HH TYR 339 HH TYR 339 37.541 7.002 -7.757 26 HB2 TYR 339 HB2 TYR 339 31.872 4.071 -6.618 27 HB3 TYR 339 HB1 TYR 339 31.108 5.563 -7.137 28 H MET 340 HN MET 340 33.294 3.685 -5.599 29 HA MET 340 HA MET 340 32.940 1.925 -3.437 30 HB2 MET 340 HB2 MET 340 35.056 0.925 -4.166 31 HB3 MET 340 HB1 MET 340 34.042 1.305 -5.559 32 HG2 MET 340 HG2 MET 340 35.383 3.628 -5.404 33 HG3 MET 340 HG1 MET 340 36.590 2.578 -4.667 34 HE1 MET 340 HE1 MET 340 36.409 3.431 -8.869 35 HE2 MET 340 HE2 MET 340 36.882 4.256 -7.387 36 HE3 MET 340 HE3 MET 340 35.174 4.016 -7.747 37 H ALA 341 HN ALA 341 34.221 4.999 -3.427 38 HA ALA 341 HA ALA 341 36.189 4.502 -1.324 39 HB1 ALA 341 HB1 ALA 341 36.785 6.823 -1.600 40 HB2 ALA 341 HB2 ALA 341 35.343 7.118 -2.573 41 HB3 ALA 341 HB3 ALA 341 36.637 6.097 -3.202 42 H TYR 342 HN TYR 342 33.013 5.946 -1.783 43 HA TYR 342 HA TYR 342 32.965 6.855 0.992 44 HD1 TYR 342 HD1 TYR 342 29.310 7.194 1.128 45 HD2 TYR 342 HD2 TYR 342 30.799 6.733 -2.871 46 HE1 TYR 342 HE1 TYR 342 27.125 6.262 0.422 47 HE2 TYR 342 HE2 TYR 342 28.618 5.801 -3.579 48 HH TYR 342 HH TYR 342 25.865 6.163 -2.001 49 HB2 TYR 342 HB2 TYR 342 31.381 8.344 0.346 50 HB3 TYR 342 HB1 TYR 342 32.028 8.008 -1.263 51 H LEU 343 HN LEU 343 31.039 4.706 -1.149 52 HA LEU 343 HA LEU 343 29.284 3.873 0.902 53 HG LEU 343 HG LEU 343 31.325 2.547 -1.696 54 HB2 LEU 343 HB2 LEU 343 28.632 2.056 -0.582 55 HB3 LEU 343 HB1 LEU 343 28.779 3.554 -1.495 56 HD11 LEU 343 HD11 LEU 343 31.287 0.207 -2.012 57 HD12 LEU 343 HD12 LEU 343 29.527 0.160 -2.106 58 HD13 LEU 343 HD13 LEU 343 30.320 0.434 -0.557 59 HD21 LEU 343 HD21 LEU 343 30.666 1.922 -3.990 60 HD22 LEU 343 HD22 LEU 343 29.899 3.439 -3.528 61 HD23 LEU 343 HD23 LEU 343 28.969 1.942 -3.515 62 H SER 344 HN SER 344 32.549 3.196 0.353 63 HA SER 344 HA SER 344 32.501 0.635 1.767 64 HG SER 344 HG SER 344 33.554 1.531 -0.979 65 HB2 SER 344 HB2 SER 344 34.838 2.230 0.689 66 HB3 SER 344 HB1 SER 344 34.911 0.591 1.329 67 H ALA 345 HN ALA 345 32.258 3.755 2.630 68 HA ALA 345 HA ALA 345 33.784 3.383 5.141 69 HB1 ALA 345 HB1 ALA 345 33.208 5.924 3.602 70 HB2 ALA 345 HB2 ALA 345 34.784 5.163 3.832 71 HB3 ALA 345 HB3 ALA 345 33.937 5.873 5.208 72 H GLU 346 HN GLU 346 30.865 2.896 4.196 73 HA GLU 346 HA GLU 346 29.655 3.994 6.624 74 HB2 GLU 346 HB2 GLU 346 27.651 4.739 5.278 75 HB3 GLU 346 HB1 GLU 346 29.101 5.722 5.060 76 HG2 GLU 346 HG2 GLU 346 29.202 5.216 2.872 77 HG3 GLU 346 HG1 GLU 346 29.091 3.490 3.214 78 H LEU 347 HN LEU 347 30.298 1.420 6.391 79 HA LEU 347 HA LEU 347 27.701 0.092 5.914 80 HG LEU 347 HG LEU 347 31.157 -0.409 6.178 81 HB2 LEU 347 HB2 LEU 347 28.948 -1.910 5.151 82 HB3 LEU 347 HB1 LEU 347 29.210 -0.523 4.093 83 HD11 LEU 347 HD11 LEU 347 32.351 -2.544 5.721 84 HD12 LEU 347 HD12 LEU 347 30.969 -3.090 4.771 85 HD13 LEU 347 HD13 LEU 347 30.793 -2.810 6.504 86 HD21 LEU 347 HD21 LEU 347 32.706 -0.629 4.243 87 HD22 LEU 347 HD22 LEU 347 31.409 0.523 3.922 88 HD23 LEU 347 HD23 LEU 347 31.342 -1.096 3.227 89 H PHE 348 HN PHE 348 29.880 1.030 8.135 90 HA PHE 348 HA PHE 348 29.067 -1.090 9.999 91 HD1 PHE 348 HD1 PHE 348 31.538 1.728 9.243 92 HD2 PHE 348 HD2 PHE 348 32.824 -2.222 8.158 93 HE1 PHE 348 HE1 PHE 348 32.989 2.689 7.489 94 HE2 PHE 348 HE2 PHE 348 34.283 -1.261 6.399 95 HZ PHE 348 HZ PHE 348 34.367 1.195 6.062 96 HB2 PHE 348 HB2 PHE 348 31.598 -0.650 10.863 97 HB3 PHE 348 HB1 PHE 348 31.156 -1.968 9.780 98 H HIS 349 HN HIS 349 29.367 2.124 9.237 99 HA HIS 349 HA HIS 349 30.110 3.337 11.662 100 HD2 HIS 349 HD2 HIS 349 27.998 2.547 8.106 101 HE1 HIS 349 HE1 HIS 349 24.952 5.460 8.360 102 HE2 HIS 349 HE2 HIS 349 25.661 3.305 7.219 103 HB2 HIS 349 HB2 HIS 349 29.027 5.337 10.786 104 HB3 HIS 349 HB1 HIS 349 29.948 4.538 9.513 105 H LEU 350 HN LEU 350 27.642 1.262 11.241 106 HA LEU 350 HA LEU 350 26.084 2.452 13.424 107 HG LEU 350 HG LEU 350 25.774 3.350 10.611 108 HB2 LEU 350 HB2 LEU 350 24.946 0.994 11.026 109 HB3 LEU 350 HB1 LEU 350 24.020 1.626 12.384 110 HD11 LEU 350 HD11 LEU 350 22.870 2.572 10.394 111 HD12 LEU 350 HD12 LEU 350 24.102 2.601 9.131 112 HD13 LEU 350 HD13 LEU 350 23.443 4.113 9.758 113 HD21 LEU 350 HD21 LEU 350 24.085 5.091 11.585 114 HD22 LEU 350 HD22 LEU 350 25.400 4.532 12.614 115 HD23 LEU 350 HD23 LEU 350 23.779 3.871 12.818 116 H SER 351 HN SER 351 25.757 -0.565 11.581 117 HA SER 351 HA SER 351 25.162 -2.249 13.666 118 HG SER 351 HG SER 351 26.348 -4.488 13.181 119 HB2 SER 351 HB2 SER 351 25.186 -2.835 11.219 120 HB3 SER 351 HB1 SER 351 26.932 -3.029 11.343 121 H GLY 352 HN GLY 352 26.403 -1.530 15.507 122 HA2 GLY 352 HA2 GLY 352 28.140 -2.831 16.803 123 HA3 GLY 352 HA1 GLY 352 29.232 -2.408 15.483 124 H ILE 353 HN ILE 353 28.175 0.181 15.022 125 HA ILE 353 HA ILE 353 29.407 1.622 17.254 126 HB ILE 353 HB ILE 353 28.511 2.641 14.551 127 HG12 ILE 353 HG12 ILE 353 30.246 0.978 14.215 128 HG13 ILE 353 HG11 ILE 353 30.966 2.572 14.013 129 HG21 ILE 353 HG21 ILE 353 30.653 4.111 15.747 130 HG22 ILE 353 HG22 ILE 353 29.361 3.946 16.935 131 HG23 ILE 353 HG23 ILE 353 29.024 4.665 15.362 132 HD11 ILE 353 HD11 ILE 353 31.288 0.622 16.278 133 HD12 ILE 353 HD12 ILE 353 31.532 2.344 16.568 134 HD13 ILE 353 HD13 ILE 353 32.528 1.500 15.385 135 H MET 354 HN MET 354 26.390 1.201 15.564 136 HA MET 354 HA MET 354 24.972 3.388 16.587 137 HB2 MET 354 HB2 MET 354 22.948 2.127 15.929 138 HB3 MET 354 HB1 MET 354 24.155 2.189 14.651 139 HG2 MET 354 HG2 MET 354 23.993 -0.064 14.566 140 HG3 MET 354 HG1 MET 354 24.852 -0.082 16.106 141 HE1 MET 354 HE1 MET 354 21.893 -1.247 14.253 142 HE2 MET 354 HE2 MET 354 21.301 -2.282 15.551 143 HE3 MET 354 HE3 MET 354 23.004 -2.332 15.101 144 H ALA 355 HN ALA 355 25.501 0.131 17.780 145 HA ALA 355 HA ALA 355 23.535 0.220 19.850 146 HB1 ALA 355 HB1 ALA 355 25.484 -1.659 20.560 147 HB2 ALA 355 HB2 ALA 355 25.474 -1.651 18.794 148 HB3 ALA 355 HB3 ALA 355 23.984 -1.969 19.685 149 H LEU 356 HN LEU 356 26.689 1.461 19.494 150 HA LEU 356 HA LEU 356 26.896 1.938 22.404 151 HG LEU 356 HG LEU 356 28.448 1.126 19.264 152 HB2 LEU 356 HB2 LEU 356 29.359 2.523 21.156 153 HB3 LEU 356 HB1 LEU 356 28.993 1.180 22.237 154 HD11 LEU 356 HD11 LEU 356 30.919 0.686 20.813 155 HD12 LEU 356 HD12 LEU 356 30.715 0.994 19.089 156 HD13 LEU 356 HD13 LEU 356 30.504 -0.638 19.725 157 HD21 LEU 356 HD21 LEU 356 28.887 -1.397 20.643 158 HD22 LEU 356 HD22 LEU 356 27.508 -0.887 19.671 159 HD23 LEU 356 HD23 LEU 356 27.573 -0.487 21.388 160 H ILE 357 HN ILE 357 26.486 3.323 19.305 161 HA ILE 357 HA ILE 357 27.583 5.769 19.199 162 HB ILE 357 HB ILE 357 24.963 4.723 18.448 163 HG12 ILE 357 HG12 ILE 357 26.748 6.837 17.199 164 HG13 ILE 357 HG11 ILE 357 26.944 5.106 16.954 165 HG21 ILE 357 HG21 ILE 357 24.038 6.579 19.730 166 HG22 ILE 357 HG22 ILE 357 23.944 6.977 18.022 167 HG23 ILE 357 HG23 ILE 357 25.205 7.699 19.015 168 HD11 ILE 357 HD11 ILE 357 25.484 5.245 15.251 169 HD12 ILE 357 HD12 ILE 357 25.124 6.927 15.640 170 HD13 ILE 357 HD13 ILE 357 24.227 5.629 16.428 171 H ALA 358 HN ALA 358 24.893 4.961 21.369 172 HA ALA 358 HA ALA 358 25.096 7.573 22.671 173 HB1 ALA 358 HB1 ALA 358 22.927 6.130 22.115 174 HB2 ALA 358 HB2 ALA 358 23.007 7.167 23.539 175 HB3 ALA 358 HB3 ALA 358 23.290 5.433 23.693 176 H SER 359 HN SER 359 25.985 4.243 23.192 177 HA SER 359 HA SER 359 26.560 4.632 26.015 178 HG SER 359 HG SER 359 25.948 2.869 26.855 179 HB2 SER 359 HB2 SER 359 25.937 2.425 24.508 180 HB3 SER 359 HB1 SER 359 27.680 2.256 24.701 181 H GLY 360 HN GLY 360 28.056 5.639 23.289 182 HA2 GLY 360 HA2 GLY 360 30.690 5.641 24.612 183 HA3 GLY 360 HA1 GLY 360 30.569 5.126 22.933 184 H VAL 361 HN VAL 361 28.966 7.767 24.703 185 HA VAL 361 HA VAL 361 30.508 9.830 23.480 186 HB VAL 361 HB VAL 361 28.911 8.885 21.632 187 HG11 VAL 361 HG11 VAL 361 26.960 9.121 23.344 188 HG12 VAL 361 HG12 VAL 361 26.680 9.628 21.678 189 HG13 VAL 361 HG13 VAL 361 27.009 10.833 22.922 190 HG21 VAL 361 HG21 VAL 361 29.564 11.697 22.395 191 HG22 VAL 361 HG22 VAL 361 28.416 11.461 21.078 192 HG23 VAL 361 HG23 VAL 361 30.041 10.784 20.964 193 H VAL 362 HN VAL 362 28.706 8.683 25.870 194 HA VAL 362 HA VAL 362 27.848 11.367 26.771 195 HB VAL 362 HB VAL 362 26.037 9.559 26.170 196 HG11 VAL 362 HG11 VAL 362 27.319 7.902 27.708 197 HG12 VAL 362 HG12 VAL 362 25.562 7.963 27.834 198 HG13 VAL 362 HG13 VAL 362 26.560 8.782 29.035 199 HG21 VAL 362 HG21 VAL 362 25.348 11.622 27.120 200 HG22 VAL 362 HG22 VAL 362 26.173 11.289 28.643 201 HG23 VAL 362 HG23 VAL 362 24.709 10.401 28.221 202 H MET 363 HN MET 363 29.814 8.714 27.281 203 HA MET 363 HA MET 363 29.967 8.161 29.930 204 HB2 MET 363 HB2 MET 363 32.269 8.781 28.072 205 HB3 MET 363 HB1 MET 363 32.435 7.983 29.636 206 HG2 MET 363 HG2 MET 363 30.450 6.884 27.684 207 HG3 MET 363 HG1 MET 363 32.162 6.562 27.406 208 HE1 MET 363 HE1 MET 363 31.764 4.114 27.516 209 HE2 MET 363 HE2 MET 363 32.232 3.314 29.014 210 HE3 MET 363 HE3 MET 363 33.279 4.549 28.318 211 H ARG 364 HN ARG 364 32.611 10.221 29.078 212 HA ARG 364 HA ARG 364 31.709 12.259 31.006 213 HE ARG 364 HE ARG 364 32.412 13.218 32.363 214 HB2 ARG 364 HB2 ARG 364 34.375 10.853 30.892 215 HB3 ARG 364 HB1 ARG 364 34.147 12.388 31.729 216 HG2 ARG 364 HG2 ARG 364 32.136 10.311 32.357 217 HG3 ARG 364 HG1 ARG 364 33.775 9.957 32.905 218 HD2 ARG 364 HD2 ARG 364 32.281 11.278 34.523 219 HD3 ARG 364 HD1 ARG 364 33.886 11.932 34.211 220 HH11 ARG 364 HH21 ARG 364 31.919 12.582 35.728 221 HH12 ARG 364 HH22 ARG 364 30.998 14.022 36.007 222 HH21 ARG 364 HH11 ARG 364 31.203 15.106 32.719 223 HH22 ARG 364 HH12 ARG 364 30.593 15.451 34.304 224 HA PRO 365 HA PRO 365 33.387 13.865 26.864 225 HB2 PRO 365 HB2 PRO 365 31.056 15.160 26.154 226 HB3 PRO 365 HB1 PRO 365 31.484 13.519 25.633 227 HG2 PRO 365 HG2 PRO 365 29.675 14.395 27.831 228 HG3 PRO 365 HG1 PRO 365 29.488 13.061 26.680 229 HD2 PRO 365 HD2 PRO 365 30.282 12.650 29.233 230 HD3 PRO 365 HD1 PRO 365 30.875 11.644 27.893 231 H LYS 366 HN LYS 366 31.107 15.397 29.134 232 HA LYS 366 HA LYS 366 31.102 17.454 30.152 233 HB2 LYS 366 HB2 LYS 366 34.083 17.398 29.642 234 HB3 LYS 366 HB1 LYS 366 33.233 18.334 30.871 235 HG2 LYS 366 HG2 LYS 366 32.386 16.128 31.806 236 HG3 LYS 366 HG1 LYS 366 33.524 15.326 30.722 237 HD2 LYS 366 HD2 LYS 366 35.112 17.242 31.897 238 HD3 LYS 366 HD1 LYS 366 34.036 16.793 33.221 239 HE2 LYS 366 HE2 LYS 366 34.581 14.408 32.846 240 HE3 LYS 366 HE1 LYS 366 35.676 14.871 31.543 241 HZ1 LYS 366 HZ1 LYS 366 37.251 15.265 33.025 242 HZ2 LYS 366 HZ2 LYS 366 36.219 14.747 34.270 243 HZ3 LYS 366 HZ3 LYS 366 36.270 16.387 33.832 244 H LYS 367 HN LYS 367 31.622 17.035 26.992 245 HA LYS 367 HA LYS 367 32.675 19.406 25.975 246 HB2 LYS 367 HB2 LYS 367 30.762 17.352 24.976 247 HB3 LYS 367 HB1 LYS 367 30.858 18.879 24.097 248 HG2 LYS 367 HG2 LYS 367 33.170 18.597 23.638 249 HG3 LYS 367 HG1 LYS 367 33.335 17.321 24.845 250 HD2 LYS 367 HD2 LYS 367 32.197 15.744 23.512 251 HD3 LYS 367 HD1 LYS 367 31.484 16.991 22.489 252 HE2 LYS 367 HE2 LYS 367 33.692 17.527 21.563 253 HE3 LYS 367 HE1 LYS 367 34.440 16.327 22.617 254 HZ1 LYS 367 HZ1 LYS 367 33.174 14.603 21.540 255 HZ2 LYS 367 HZ2 LYS 367 34.039 15.480 20.370 256 HZ3 LYS 367 HZ3 LYS 367 32.372 15.738 20.569 257 H1 ACE 336 HA2 ACE 336 35.390 9.293 -9.950 258 H2 ACE 336 HA3 ACE 336 36.952 8.571 -10.334 259 H3 ACE 336 HA1 ACE 336 36.720 10.311 -10.501 260 HN1 NH2 368 HN1 NH2 368 29.125 18.769 26.195 261 HN2 NH2 368 HN2 NH2 368 28.717 20.387 26.504 Start of MODEL 36 1 HA LYS 337 HA LYS 337 36.377 8.228 -4.551 2 H1 LYS 337 HN LYS 337 35.520 9.945 -6.646 3 HB2 LYS 337 HB2 LYS 337 36.799 9.766 -2.782 4 HB3 LYS 337 HB1 LYS 337 37.804 10.277 -4.134 5 HG2 LYS 337 HG2 LYS 337 35.180 11.509 -3.240 6 HG3 LYS 337 HG1 LYS 337 36.774 12.251 -3.206 7 HD2 LYS 337 HD2 LYS 337 36.805 11.893 -5.758 8 HD3 LYS 337 HD1 LYS 337 35.069 11.607 -5.611 9 HE2 LYS 337 HE2 LYS 337 35.198 13.918 -6.036 10 HE3 LYS 337 HE1 LYS 337 35.039 13.839 -4.282 11 HZ1 LYS 337 HZ1 LYS 337 37.001 14.807 -4.056 12 HZ2 LYS 337 HZ2 LYS 337 37.084 15.007 -5.741 13 HZ3 LYS 337 HZ3 LYS 337 37.756 13.627 -5.013 14 H SER 338 HN SER 338 34.048 9.021 -6.314 15 HA SER 338 HA SER 338 32.023 9.381 -4.183 16 HG SER 338 HG SER 338 30.390 11.419 -5.115 17 HB2 SER 338 HB2 SER 338 32.244 11.145 -6.046 18 HB3 SER 338 HB1 SER 338 31.552 9.920 -7.106 19 H TYR 339 HN TYR 339 32.650 6.896 -4.146 20 HA TYR 339 HA TYR 339 30.389 5.468 -4.908 21 HD1 TYR 339 HD1 TYR 339 34.036 5.598 -5.381 22 HD2 TYR 339 HD2 TYR 339 31.928 6.102 -9.089 23 HE1 TYR 339 HE1 TYR 339 35.998 6.759 -6.332 24 HE2 TYR 339 HE2 TYR 339 33.898 7.266 -10.046 25 HH TYR 339 HH TYR 339 36.961 7.344 -8.401 26 HB2 TYR 339 HB2 TYR 339 31.751 4.004 -6.705 27 HB3 TYR 339 HB1 TYR 339 30.762 5.383 -7.153 28 H MET 340 HN MET 340 33.129 3.594 -5.711 29 HA MET 340 HA MET 340 32.858 1.899 -3.475 30 HB2 MET 340 HB2 MET 340 34.810 0.767 -4.301 31 HB3 MET 340 HB1 MET 340 33.878 1.296 -5.703 32 HG2 MET 340 HG2 MET 340 35.452 3.482 -5.292 33 HG3 MET 340 HG1 MET 340 36.533 2.197 -4.755 34 HE1 MET 340 HE1 MET 340 35.310 4.165 -7.815 35 HE2 MET 340 HE2 MET 340 36.766 3.638 -8.655 36 HE3 MET 340 HE3 MET 340 36.878 4.224 -6.998 37 H ALA 341 HN ALA 341 34.052 4.968 -3.585 38 HA ALA 341 HA ALA 341 36.166 4.565 -1.601 39 HB1 ALA 341 HB1 ALA 341 36.500 6.136 -3.501 40 HB2 ALA 341 HB2 ALA 341 36.639 6.925 -1.929 41 HB3 ALA 341 HB3 ALA 341 35.167 7.114 -2.884 42 H TYR 342 HN TYR 342 32.935 5.930 -1.914 43 HA TYR 342 HA TYR 342 32.997 6.851 0.860 44 HD1 TYR 342 HD2 TYR 342 29.338 7.148 1.164 45 HD2 TYR 342 HD1 TYR 342 30.658 6.633 -2.889 46 HE1 TYR 342 HE2 TYR 342 27.141 6.167 0.571 47 HE2 TYR 342 HE1 TYR 342 28.464 5.651 -3.482 48 HH TYR 342 HH TYR 342 25.759 5.960 -1.656 49 HB2 TYR 342 HB2 TYR 342 31.353 8.304 0.286 50 HB3 TYR 342 HB1 TYR 342 31.928 7.978 -1.352 51 H LEU 343 HN LEU 343 31.032 4.651 -1.187 52 HA LEU 343 HA LEU 343 29.380 3.793 0.939 53 HG LEU 343 HG LEU 343 31.328 2.467 -1.735 54 HB2 LEU 343 HB2 LEU 343 28.675 1.984 -0.514 55 HB3 LEU 343 HB1 LEU 343 28.797 3.470 -1.450 56 HD11 LEU 343 HD11 LEU 343 30.349 0.363 -0.516 57 HD12 LEU 343 HD12 LEU 343 31.320 0.129 -1.966 58 HD13 LEU 343 HD13 LEU 343 29.562 0.049 -2.061 59 HD21 LEU 343 HD21 LEU 343 30.578 1.783 -3.987 60 HD22 LEU 343 HD22 LEU 343 29.824 3.308 -3.526 61 HD23 LEU 343 HD23 LEU 343 28.903 1.808 -3.441 62 H SER 344 HN SER 344 32.627 3.158 0.221 63 HA SER 344 HA SER 344 32.690 0.598 1.629 64 HG SER 344 HG SER 344 34.997 0.247 2.112 65 HB2 SER 344 HB2 SER 344 34.105 0.964 -0.387 66 HB3 SER 344 HB1 SER 344 34.966 2.233 0.481 67 H ALA 345 HN ALA 345 32.429 3.695 2.553 68 HA ALA 345 HA ALA 345 34.135 3.337 4.948 69 HB1 ALA 345 HB1 ALA 345 33.340 5.872 3.501 70 HB2 ALA 345 HB2 ALA 345 34.960 5.184 3.623 71 HB3 ALA 345 HB3 ALA 345 34.169 5.834 5.058 72 H GLU 346 HN GLU 346 31.048 3.090 3.976 73 HA GLU 346 HA GLU 346 30.031 3.908 6.616 74 HB2 GLU 346 HB2 GLU 346 27.973 4.795 5.502 75 HB3 GLU 346 HB1 GLU 346 29.423 5.740 5.156 76 HG2 GLU 346 HG2 GLU 346 29.268 5.306 2.955 77 HG3 GLU 346 HG1 GLU 346 29.124 3.576 3.252 78 H LEU 347 HN LEU 347 30.468 1.430 6.571 79 HA LEU 347 HA LEU 347 27.901 0.145 5.952 80 HG LEU 347 HG LEU 347 31.337 -0.518 6.223 81 HB2 LEU 347 HB2 LEU 347 29.131 -1.881 5.164 82 HB3 LEU 347 HB1 LEU 347 29.340 -0.480 4.109 83 HD11 LEU 347 HD11 LEU 347 32.584 -2.482 5.412 84 HD12 LEU 347 HD12 LEU 347 31.258 -2.876 4.318 85 HD13 LEU 347 HD13 LEU 347 31.017 -2.964 6.063 86 HD21 LEU 347 HD21 LEU 347 32.837 -0.273 4.274 87 HD22 LEU 347 HD22 LEU 347 31.457 0.820 4.153 88 HD23 LEU 347 HD23 LEU 347 31.495 -0.662 3.197 89 H PHE 348 HN PHE 348 29.904 1.036 8.247 90 HA PHE 348 HA PHE 348 29.202 -1.209 10.015 91 HD1 PHE 348 HD1 PHE 348 31.744 0.955 7.954 92 HD2 PHE 348 HD2 PHE 348 32.854 0.157 12.025 93 HE1 PHE 348 HE1 PHE 348 33.186 2.954 7.942 94 HE2 PHE 348 HE2 PHE 348 34.310 2.164 12.016 95 HZ PHE 348 HZ PHE 348 34.479 3.563 9.976 96 HB2 PHE 348 HB2 PHE 348 31.420 -1.327 10.931 97 HB3 PHE 348 HB1 PHE 348 31.585 -1.450 9.180 98 H HIS 349 HN HIS 349 30.137 2.125 9.514 99 HA HIS 349 HA HIS 349 30.297 3.193 12.009 100 HD2 HIS 349 HD2 HIS 349 28.780 2.486 8.232 101 HE1 HIS 349 HE1 HIS 349 25.833 5.481 7.831 102 HE2 HIS 349 HE2 HIS 349 26.694 3.288 6.882 103 HB2 HIS 349 HB2 HIS 349 29.288 5.247 11.079 104 HB3 HIS 349 HB1 HIS 349 30.459 4.534 9.969 105 H LEU 350 HN LEU 350 27.270 2.510 10.261 106 HA LEU 350 HA LEU 350 25.305 3.328 11.858 107 HG LEU 350 HG LEU 350 25.661 2.828 9.333 108 HB2 LEU 350 HB2 LEU 350 25.285 0.435 11.038 109 HB3 LEU 350 HB1 LEU 350 23.956 1.592 11.035 110 HD11 LEU 350 HD11 LEU 350 26.767 1.246 7.915 111 HD12 LEU 350 HD12 LEU 350 25.974 -0.115 8.707 112 HD13 LEU 350 HD13 LEU 350 27.206 0.808 9.566 113 HD21 LEU 350 HD21 LEU 350 23.520 0.756 8.861 114 HD22 LEU 350 HD22 LEU 350 24.305 1.576 7.513 115 HD23 LEU 350 HD23 LEU 350 23.403 2.508 8.707 116 H SER 351 HN SER 351 26.751 0.102 12.390 117 HA SER 351 HA SER 351 25.568 -0.397 14.853 118 HG SER 351 HG SER 351 26.466 -2.542 12.806 119 HB2 SER 351 HB2 SER 351 28.064 -1.389 13.533 120 HB3 SER 351 HB1 SER 351 27.696 -1.868 15.187 121 H GLY 352 HN GLY 352 25.753 1.859 15.804 122 HA2 GLY 352 HA2 GLY 352 26.968 2.188 18.074 123 HA3 GLY 352 HA1 GLY 352 28.382 2.370 17.032 124 H ILE 353 HN ILE 353 26.893 3.549 14.882 125 HA ILE 353 HA ILE 353 26.684 6.277 15.922 126 HB ILE 353 HB ILE 353 26.886 5.206 13.102 127 HG12 ILE 353 HG12 ILE 353 28.994 4.937 14.286 128 HG13 ILE 353 HG11 ILE 353 29.148 6.287 13.169 129 HG21 ILE 353 HG21 ILE 353 27.534 7.899 13.080 130 HG22 ILE 353 HG22 ILE 353 26.157 7.818 14.180 131 HG23 ILE 353 HG23 ILE 353 26.012 7.195 12.537 132 HD11 ILE 353 HD11 ILE 353 28.401 7.708 15.270 133 HD12 ILE 353 HD12 ILE 353 30.076 7.195 15.094 134 HD13 ILE 353 HD13 ILE 353 28.992 6.305 16.161 135 H MET 354 HN MET 354 24.866 3.776 14.295 136 HA MET 354 HA MET 354 22.644 5.311 13.508 137 HB2 MET 354 HB2 MET 354 21.492 3.220 13.207 138 HB3 MET 354 HB1 MET 354 23.156 3.025 12.672 139 HG2 MET 354 HG2 MET 354 23.469 2.332 15.245 140 HG3 MET 354 HG1 MET 354 21.783 1.866 15.039 141 HE1 MET 354 HE1 MET 354 21.632 -0.537 15.064 142 HE2 MET 354 HE2 MET 354 23.215 -0.443 15.833 143 HE3 MET 354 HE3 MET 354 22.926 -1.639 14.571 144 H ALA 355 HN ALA 355 23.504 3.684 16.473 145 HA ALA 355 HA ALA 355 20.960 3.815 17.738 146 HB1 ALA 355 HB1 ALA 355 22.993 3.764 19.699 147 HB2 ALA 355 HB2 ALA 355 23.592 2.828 18.327 148 HB3 ALA 355 HB3 ALA 355 22.054 2.402 19.083 149 H LEU 356 HN LEU 356 23.276 6.175 17.029 150 HA LEU 356 HA LEU 356 22.032 7.996 18.994 151 HG LEU 356 HG LEU 356 25.054 6.962 17.352 152 HB2 LEU 356 HB2 LEU 356 24.199 9.117 19.280 153 HB3 LEU 356 HB1 LEU 356 24.290 7.426 19.752 154 HD11 LEU 356 HD11 LEU 356 24.970 9.921 17.341 155 HD12 LEU 356 HD12 LEU 356 24.951 8.789 15.995 156 HD13 LEU 356 HD13 LEU 356 26.478 9.227 16.753 157 HD21 LEU 356 HD21 LEU 356 26.528 6.794 19.299 158 HD22 LEU 356 HD22 LEU 356 26.815 8.532 19.252 159 HD23 LEU 356 HD23 LEU 356 27.404 7.506 17.945 160 H ILE 357 HN ILE 357 22.690 7.249 15.786 161 HA ILE 357 HA ILE 357 23.273 9.491 14.401 162 HB ILE 357 HB ILE 357 21.452 7.227 13.950 163 HG12 ILE 357 HG12 ILE 357 23.730 7.312 13.026 164 HG13 ILE 357 HG11 ILE 357 22.545 7.220 11.734 165 HG21 ILE 357 HG21 ILE 357 20.937 9.829 12.487 166 HG22 ILE 357 HG22 ILE 357 19.778 8.867 13.414 167 HG23 ILE 357 HG23 ILE 357 20.420 8.253 11.896 168 HD11 ILE 357 HD11 ILE 357 22.862 9.961 12.158 169 HD12 ILE 357 HD12 ILE 357 23.571 9.022 10.846 170 HD13 ILE 357 HD13 ILE 357 24.489 9.307 12.323 171 H ALA 358 HN ALA 358 20.210 8.847 16.028 172 HA ALA 358 HA ALA 358 19.204 11.508 15.323 173 HB1 ALA 358 HB1 ALA 358 17.807 9.341 15.307 174 HB2 ALA 358 HB2 ALA 358 17.097 10.769 16.061 175 HB3 ALA 358 HB3 ALA 358 17.795 9.497 17.064 176 H SER 359 HN SER 359 20.668 9.822 17.965 177 HA SER 359 HA SER 359 19.864 11.835 19.924 178 HG SER 359 HG SER 359 22.554 10.339 21.444 179 HB2 SER 359 HB2 SER 359 20.417 10.299 21.496 180 HB3 SER 359 HB1 SER 359 20.363 9.166 20.149 181 H GLY 360 HN GLY 360 22.083 11.744 17.531 182 HA2 GLY 360 HA2 GLY 360 23.838 13.633 18.943 183 HA3 GLY 360 HA1 GLY 360 24.574 12.261 18.121 184 H VAL 361 HN VAL 361 21.987 14.590 17.323 185 HA VAL 361 HA VAL 361 23.462 15.828 15.228 186 HB VAL 361 HB VAL 361 22.780 13.451 14.355 187 HG11 VAL 361 HG11 VAL 361 20.256 14.943 13.658 188 HG12 VAL 361 HG12 VAL 361 20.349 13.975 15.130 189 HG13 VAL 361 HG13 VAL 361 20.579 13.213 13.556 190 HG21 VAL 361 HG21 VAL 361 22.097 14.736 12.109 191 HG22 VAL 361 HG22 VAL 361 23.746 14.785 12.733 192 HG23 VAL 361 HG23 VAL 361 22.646 16.131 13.037 193 H VAL 362 HN VAL 362 21.030 15.694 17.411 194 HA VAL 362 HA VAL 362 19.000 17.246 16.119 195 HB VAL 362 HB VAL 362 18.512 15.832 18.072 196 HG11 VAL 362 HG11 VAL 362 19.403 16.264 20.222 197 HG12 VAL 362 HG12 VAL 362 19.983 17.862 19.753 198 HG13 VAL 362 HG13 VAL 362 20.791 16.418 19.145 199 HG21 VAL 362 HG21 VAL 362 18.116 18.688 18.950 200 HG22 VAL 362 HG22 VAL 362 17.000 17.328 19.077 201 HG23 VAL 362 HG23 VAL 362 17.302 18.078 17.510 202 H MET 363 HN MET 363 21.737 17.985 18.244 203 HA MET 363 HA MET 363 22.836 19.953 18.679 204 HB2 MET 363 HB2 MET 363 21.366 21.247 16.398 205 HB3 MET 363 HB1 MET 363 23.018 21.522 16.953 206 HG2 MET 363 HG2 MET 363 23.264 18.938 16.332 207 HG3 MET 363 HG1 MET 363 21.933 19.326 15.242 208 HE1 MET 363 HE1 MET 363 22.338 20.081 12.913 209 HE2 MET 363 HE2 MET 363 23.294 18.649 13.285 210 HE3 MET 363 HE3 MET 363 24.000 19.945 12.324 211 H ARG 364 HN ARG 364 21.687 22.617 18.025 212 HA ARG 364 HA ARG 364 19.363 22.691 19.830 213 HE ARG 364 HE ARG 364 22.582 21.636 23.472 214 HB2 ARG 364 HB2 ARG 364 21.805 24.462 20.104 215 HB3 ARG 364 HB1 ARG 364 20.333 24.573 21.069 216 HG2 ARG 364 HG2 ARG 364 20.894 21.966 21.449 217 HG3 ARG 364 HG1 ARG 364 22.530 22.569 21.188 218 HD2 ARG 364 HD2 ARG 364 21.984 24.387 22.895 219 HD3 ARG 364 HD1 ARG 364 20.539 23.457 23.282 220 HH11 ARG 364 HH21 ARG 364 21.892 24.755 24.803 221 HH12 ARG 364 HH22 ARG 364 22.736 24.462 26.287 222 HH21 ARG 364 HH11 ARG 364 23.691 21.244 25.415 223 HH22 ARG 364 HH12 ARG 364 23.756 22.475 26.633 224 HA PRO 365 HA PRO 365 18.869 25.464 16.174 225 HB2 PRO 365 HB2 PRO 365 16.690 24.256 15.098 226 HB3 PRO 365 HB1 PRO 365 18.344 23.701 14.778 227 HG2 PRO 365 HG2 PRO 365 16.272 22.539 16.541 228 HG3 PRO 365 HG1 PRO 365 17.554 21.740 15.621 229 HD2 PRO 365 HD2 PRO 365 17.602 22.306 18.373 230 HD3 PRO 365 HD1 PRO 365 18.998 21.829 17.381 231 H LYS 366 HN LYS 366 16.370 24.069 18.281 232 HA LYS 366 HA LYS 366 14.515 24.979 19.287 233 HB2 LYS 366 HB2 LYS 366 16.039 27.583 19.080 234 HB3 LYS 366 HB1 LYS 366 14.789 27.164 20.252 235 HG2 LYS 366 HG2 LYS 366 16.229 25.390 21.172 236 HG3 LYS 366 HG1 LYS 366 17.478 25.784 19.990 237 HD2 LYS 366 HD2 LYS 366 16.465 28.045 21.632 238 HD3 LYS 366 HD1 LYS 366 17.438 26.840 22.476 239 HE2 LYS 366 HE2 LYS 366 18.317 28.090 19.868 240 HE3 LYS 366 HE1 LYS 366 18.730 28.783 21.436 241 HZ1 LYS 366 HZ1 LYS 366 19.503 26.155 20.329 242 HZ2 LYS 366 HZ2 LYS 366 19.577 26.472 21.997 243 HZ3 LYS 366 HZ3 LYS 366 20.506 27.392 20.912 244 H LYS 367 HN LYS 367 15.032 25.257 16.215 245 HA LYS 367 HA LYS 367 13.934 26.126 14.388 246 HB2 LYS 367 HB2 LYS 367 11.581 26.490 16.238 247 HB3 LYS 367 HB1 LYS 367 11.574 26.089 14.520 248 HG2 LYS 367 HG2 LYS 367 13.056 24.029 15.503 249 HG3 LYS 367 HG1 LYS 367 11.978 24.330 16.865 250 HD2 LYS 367 HD2 LYS 367 11.132 23.826 13.996 251 HD3 LYS 367 HD1 LYS 367 10.954 22.703 15.346 252 HE2 LYS 367 HE2 LYS 367 8.902 23.627 15.616 253 HE3 LYS 367 HE1 LYS 367 9.765 24.995 16.321 254 HZ1 LYS 367 HZ1 LYS 367 8.464 24.759 13.751 255 HZ2 LYS 367 HZ2 LYS 367 9.992 25.499 13.702 256 HZ3 LYS 367 HZ3 LYS 367 8.768 26.137 14.693 257 H1 ACE 336 HA2 ACE 336 38.090 9.099 -8.667 258 H2 ACE 336 HA3 ACE 336 38.156 10.793 -8.180 259 H3 ACE 336 HA1 ACE 336 36.602 10.036 -8.528 260 HN1 NH2 368 HN1 NH2 368 15.506 28.127 15.274 261 HN2 NH2 368 HN2 NH2 368 14.674 29.605 15.342 Start of MODEL 37 1 HA LYS 337 HA LYS 337 36.614 8.129 -4.596 2 H1 LYS 337 HN LYS 337 35.866 9.821 -6.753 3 HB2 LYS 337 HB2 LYS 337 37.050 9.696 -2.856 4 HB3 LYS 337 HB1 LYS 337 38.100 10.146 -4.196 5 HG2 LYS 337 HG2 LYS 337 35.501 11.478 -3.376 6 HG3 LYS 337 HG1 LYS 337 37.117 12.172 -3.346 7 HD2 LYS 337 HD2 LYS 337 37.166 11.755 -5.883 8 HD3 LYS 337 HD1 LYS 337 35.422 11.507 -5.753 9 HE2 LYS 337 HE2 LYS 337 37.006 14.001 -5.131 10 HE3 LYS 337 HE1 LYS 337 35.662 13.812 -6.258 11 HZ1 LYS 337 HZ1 LYS 337 34.154 13.527 -4.473 12 HZ2 LYS 337 HZ2 LYS 337 35.089 14.896 -4.103 13 HZ3 LYS 337 HZ3 LYS 337 35.403 13.416 -3.332 14 H SER 338 HN SER 338 34.350 8.970 -6.432 15 HA SER 338 HA SER 338 32.296 9.417 -4.346 16 HG SER 338 HG SER 338 30.860 11.378 -5.029 17 HB2 SER 338 HB2 SER 338 32.653 11.180 -6.211 18 HB3 SER 338 HB1 SER 338 31.876 10.003 -7.264 19 H TYR 339 HN TYR 339 32.739 6.934 -4.261 20 HA TYR 339 HA TYR 339 30.464 5.609 -5.138 21 HD1 TYR 339 HD1 TYR 339 34.135 5.522 -5.416 22 HD2 TYR 339 HD2 TYR 339 32.270 6.145 -9.236 23 HE1 TYR 339 HE1 TYR 339 36.216 6.532 -6.257 24 HE2 TYR 339 HE2 TYR 339 34.366 7.163 -10.083 25 HH TYR 339 HH TYR 339 36.359 8.146 -9.348 26 HB2 TYR 339 HB2 TYR 339 31.819 4.075 -6.867 27 HB3 TYR 339 HB1 TYR 339 30.952 5.518 -7.364 28 H MET 340 HN MET 340 33.128 3.593 -5.814 29 HA MET 340 HA MET 340 32.704 1.949 -3.557 30 HB2 MET 340 HB2 MET 340 34.641 0.714 -4.319 31 HB3 MET 340 HB1 MET 340 33.701 1.206 -5.729 32 HG2 MET 340 HG2 MET 340 35.361 3.365 -5.393 33 HG3 MET 340 HG1 MET 340 36.405 2.033 -4.895 34 HE1 MET 340 HE1 MET 340 35.239 4.054 -7.964 35 HE2 MET 340 HE2 MET 340 36.669 3.419 -8.773 36 HE3 MET 340 HE3 MET 340 36.794 4.016 -7.121 37 H ALA 341 HN ALA 341 34.083 4.936 -3.709 38 HA ALA 341 HA ALA 341 36.150 4.456 -1.698 39 HB1 ALA 341 HB1 ALA 341 36.560 5.993 -3.622 40 HB2 ALA 341 HB2 ALA 341 36.753 6.776 -2.053 41 HB3 ALA 341 HB3 ALA 341 35.288 7.046 -2.998 42 H TYR 342 HN TYR 342 32.943 5.822 -2.025 43 HA TYR 342 HA TYR 342 33.040 6.839 0.724 44 HD1 TYR 342 HD2 TYR 342 29.329 7.162 0.954 45 HD2 TYR 342 HD1 TYR 342 30.778 6.618 -3.050 46 HE1 TYR 342 HE2 TYR 342 27.142 6.201 0.292 47 HE2 TYR 342 HE1 TYR 342 28.594 5.656 -3.715 48 HH TYR 342 HH TYR 342 25.826 5.750 -1.591 49 HB2 TYR 342 HB2 TYR 342 31.385 8.288 0.145 50 HB3 TYR 342 HB1 TYR 342 32.000 7.972 -1.479 51 H LEU 343 HN LEU 343 31.050 4.633 -1.279 52 HA LEU 343 HA LEU 343 29.336 3.833 0.805 53 HG LEU 343 HG LEU 343 31.421 2.047 -1.508 54 HB2 LEU 343 HB2 LEU 343 28.575 2.126 -0.625 55 HB3 LEU 343 HB1 LEU 343 29.087 3.407 -1.716 56 HD11 LEU 343 HD11 LEU 343 29.476 -0.223 -1.697 57 HD12 LEU 343 HD12 LEU 343 29.931 0.332 -0.089 58 HD13 LEU 343 HD13 LEU 343 31.168 -0.240 -1.206 59 HD21 LEU 343 HD21 LEU 343 30.640 0.866 -3.635 60 HD22 LEU 343 HD22 LEU 343 30.456 2.617 -3.622 61 HD23 LEU 343 HD23 LEU 343 29.059 1.586 -3.341 62 H SER 344 HN SER 344 32.622 3.114 0.191 63 HA SER 344 HA SER 344 32.626 0.664 1.769 64 HG SER 344 HG SER 344 34.719 -0.548 1.211 65 HB2 SER 344 HB2 SER 344 34.134 1.006 -0.222 66 HB3 SER 344 HB1 SER 344 34.992 2.225 0.716 67 H ALA 345 HN ALA 345 32.375 3.835 2.489 68 HA ALA 345 HA ALA 345 33.948 3.594 4.986 69 HB1 ALA 345 HB1 ALA 345 33.199 6.061 3.402 70 HB2 ALA 345 HB2 ALA 345 34.816 5.383 3.594 71 HB3 ALA 345 HB3 ALA 345 33.984 6.085 4.982 72 H GLU 346 HN GLU 346 30.972 3.098 3.998 73 HA GLU 346 HA GLU 346 29.800 4.086 6.498 74 HB2 GLU 346 HB2 GLU 346 27.767 4.851 5.234 75 HB3 GLU 346 HB1 GLU 346 29.206 5.833 4.948 76 HG2 GLU 346 HG2 GLU 346 29.273 5.277 2.762 77 HG3 GLU 346 HG1 GLU 346 29.022 3.567 3.112 78 H LEU 347 HN LEU 347 30.357 1.601 6.501 79 HA LEU 347 HA LEU 347 27.826 0.211 5.913 80 HG LEU 347 HG LEU 347 31.297 -0.139 6.128 81 HB2 LEU 347 HB2 LEU 347 29.134 -1.786 5.190 82 HB3 LEU 347 HB1 LEU 347 29.326 -0.409 4.103 83 HD11 LEU 347 HD11 LEU 347 31.227 -2.906 4.883 84 HD12 LEU 347 HD12 LEU 347 30.977 -2.542 6.591 85 HD13 LEU 347 HD13 LEU 347 32.549 -2.250 5.849 86 HD21 LEU 347 HD21 LEU 347 32.826 -0.481 4.169 87 HD22 LEU 347 HD22 LEU 347 31.524 0.661 3.837 88 HD23 LEU 347 HD23 LEU 347 31.430 -0.988 3.216 89 H PHE 348 HN PHE 348 29.917 1.197 8.184 90 HA PHE 348 HA PHE 348 29.177 -0.991 10.001 91 HD1 PHE 348 HD1 PHE 348 31.410 1.941 9.222 92 HD2 PHE 348 HD2 PHE 348 33.103 -1.892 8.284 93 HE1 PHE 348 HE1 PHE 348 32.822 2.997 7.499 94 HE2 PHE 348 HE2 PHE 348 34.525 -0.834 6.550 95 HZ PHE 348 HZ PHE 348 34.388 1.610 6.155 96 HB2 PHE 348 HB2 PHE 348 31.675 -0.443 10.906 97 HB3 PHE 348 HB1 PHE 348 31.308 -1.763 9.795 98 H HIS 349 HN HIS 349 29.261 2.243 9.321 99 HA HIS 349 HA HIS 349 29.950 3.407 11.795 100 HD2 HIS 349 HD2 HIS 349 27.987 3.288 7.755 101 HE1 HIS 349 HE1 HIS 349 24.526 5.292 9.106 102 HE2 HIS 349 HE2 HIS 349 25.485 3.844 7.253 103 HB2 HIS 349 HB2 HIS 349 28.906 5.413 10.971 104 HB3 HIS 349 HB1 HIS 349 29.756 4.640 9.636 105 H LEU 350 HN LEU 350 27.683 1.184 11.432 106 HA LEU 350 HA LEU 350 25.885 2.385 13.430 107 HG LEU 350 HG LEU 350 25.590 2.976 10.760 108 HB2 LEU 350 HB2 LEU 350 24.870 0.220 11.643 109 HB3 LEU 350 HB1 LEU 350 24.003 1.556 12.392 110 HD11 LEU 350 HD11 LEU 350 25.146 0.334 9.332 111 HD12 LEU 350 HD12 LEU 350 26.709 0.975 9.839 112 HD13 LEU 350 HD13 LEU 350 25.779 1.803 8.591 113 HD21 LEU 350 HD21 LEU 350 23.161 3.126 10.807 114 HD22 LEU 350 HD22 LEU 350 23.018 1.561 10.008 115 HD23 LEU 350 HD23 LEU 350 23.687 2.939 9.135 116 H SER 351 HN SER 351 26.446 -0.856 12.037 117 HA SER 351 HA SER 351 25.877 -2.322 14.312 118 HG SER 351 HG SER 351 25.124 -3.007 12.438 119 HB2 SER 351 HB2 SER 351 27.704 -2.873 11.989 120 HB3 SER 351 HB1 SER 351 27.483 -4.047 13.284 121 H GLY 352 HN GLY 352 26.775 -1.066 16.093 122 HA2 GLY 352 HA2 GLY 352 28.561 -1.888 17.713 123 HA3 GLY 352 HA1 GLY 352 29.695 -1.416 16.445 124 H ILE 353 HN ILE 353 28.338 0.842 15.538 125 HA ILE 353 HA ILE 353 29.000 2.749 17.652 126 HB ILE 353 HB ILE 353 28.271 3.197 14.756 127 HG12 ILE 353 HG12 ILE 353 30.316 1.907 14.831 128 HG13 ILE 353 HG11 ILE 353 30.745 3.578 14.477 129 HG21 ILE 353 HG21 ILE 353 29.394 5.403 15.182 130 HG22 ILE 353 HG22 ILE 353 29.451 4.979 16.893 131 HG23 ILE 353 HG23 ILE 353 27.897 5.167 16.083 132 HD11 ILE 353 HD11 ILE 353 31.016 3.786 17.076 133 HD12 ILE 353 HD12 ILE 353 32.291 3.014 16.138 134 HD13 ILE 353 HD13 ILE 353 31.130 2.027 17.023 135 H MET 354 HN MET 354 26.350 1.318 16.049 136 HA MET 354 HA MET 354 24.406 3.340 16.370 137 HB2 MET 354 HB2 MET 354 22.783 1.547 15.872 138 HB3 MET 354 HB1 MET 354 24.115 1.592 14.721 139 HG2 MET 354 HG2 MET 354 24.371 -0.608 15.172 140 HG3 MET 354 HG1 MET 354 25.080 -0.080 16.698 141 HE1 MET 354 HE1 MET 354 21.862 -0.902 14.787 142 HE2 MET 354 HE2 MET 354 21.103 -2.067 15.868 143 HE3 MET 354 HE3 MET 354 22.696 -2.406 15.196 144 H ALA 355 HN ALA 355 25.414 0.602 18.328 145 HA ALA 355 HA ALA 355 23.260 0.694 20.188 146 HB1 ALA 355 HB1 ALA 355 25.636 -0.866 19.743 147 HB2 ALA 355 HB2 ALA 355 24.206 -1.277 20.692 148 HB3 ALA 355 HB3 ALA 355 25.542 -0.403 21.443 149 H LEU 356 HN LEU 356 25.966 2.618 19.642 150 HA LEU 356 HA LEU 356 25.769 3.817 22.336 151 HG LEU 356 HG LEU 356 27.777 2.753 19.556 152 HB2 LEU 356 HB2 LEU 356 28.175 4.657 21.188 153 HB3 LEU 356 HB1 LEU 356 27.984 3.476 22.481 154 HD11 LEU 356 HD11 LEU 356 30.005 3.432 19.659 155 HD12 LEU 356 HD12 LEU 356 30.138 1.738 20.134 156 HD13 LEU 356 HD13 LEU 356 30.160 3.002 21.362 157 HD21 LEU 356 HD21 LEU 356 27.303 0.685 20.326 158 HD22 LEU 356 HD22 LEU 356 27.190 1.367 21.947 159 HD23 LEU 356 HD23 LEU 356 28.720 0.705 21.374 160 H ILE 357 HN ILE 357 25.363 4.216 18.964 161 HA ILE 357 HA ILE 357 25.926 6.719 18.198 162 HB ILE 357 HB ILE 357 23.617 4.982 17.760 163 HG12 ILE 357 HG12 ILE 357 25.003 7.017 15.984 164 HG13 ILE 357 HG11 ILE 357 25.566 5.368 16.221 165 HG21 ILE 357 HG21 ILE 357 22.266 6.877 18.488 166 HG22 ILE 357 HG22 ILE 357 22.192 6.778 16.736 167 HG23 ILE 357 HG23 ILE 357 23.221 7.986 17.495 168 HD11 ILE 357 HD11 ILE 357 23.461 6.351 14.479 169 HD12 ILE 357 HD12 ILE 357 22.851 5.103 15.565 170 HD13 ILE 357 HD13 ILE 357 24.225 4.762 14.514 171 H ALA 358 HN ALA 358 23.347 5.953 20.503 172 HA ALA 358 HA ALA 358 22.981 8.808 21.086 173 HB1 ALA 358 HB1 ALA 358 21.101 6.979 20.805 174 HB2 ALA 358 HB2 ALA 358 20.937 8.251 22.015 175 HB3 ALA 358 HB3 ALA 358 21.474 6.642 22.496 176 H SER 359 HN SER 359 23.912 5.786 22.688 177 HA SER 359 HA SER 359 24.310 6.930 25.264 178 HG SER 359 HG SER 359 26.339 3.635 24.426 179 HB2 SER 359 HB2 SER 359 24.592 4.782 25.839 180 HB3 SER 359 HB1 SER 359 24.358 4.361 24.145 181 H GLY 360 HN GLY 360 25.900 7.584 22.482 182 HA2 GLY 360 HA2 GLY 360 28.438 8.167 23.897 183 HA3 GLY 360 HA1 GLY 360 28.394 7.622 22.225 184 H VAL 361 HN VAL 361 25.850 9.271 21.929 185 HA VAL 361 HA VAL 361 26.889 11.987 22.034 186 HB VAL 361 HB VAL 361 26.569 10.356 19.573 187 HG11 VAL 361 HG11 VAL 361 26.192 12.554 18.292 188 HG12 VAL 361 HG12 VAL 361 25.646 13.229 19.825 189 HG13 VAL 361 HG13 VAL 361 24.784 11.869 19.101 190 HG21 VAL 361 HG21 VAL 361 28.772 11.121 20.371 191 HG22 VAL 361 HG22 VAL 361 28.225 12.796 20.297 192 HG23 VAL 361 HG23 VAL 361 28.384 11.853 18.816 193 H VAL 362 HN VAL 362 25.287 13.147 22.888 194 HA VAL 362 HA VAL 362 22.669 13.182 21.778 195 HB VAL 362 HB VAL 362 22.533 11.060 23.068 196 HG11 VAL 362 HG11 VAL 362 24.140 12.182 24.870 197 HG12 VAL 362 HG12 VAL 362 22.972 10.946 25.338 198 HG13 VAL 362 HG13 VAL 362 22.605 12.651 25.601 199 HG21 VAL 362 HG21 VAL 362 20.437 11.593 24.163 200 HG22 VAL 362 HG22 VAL 362 20.560 12.592 22.715 201 HG23 VAL 362 HG23 VAL 362 20.890 13.293 24.299 202 H MET 363 HN MET 363 24.839 13.980 24.383 203 HA MET 363 HA MET 363 23.627 15.817 25.919 204 HB2 MET 363 HB2 MET 363 26.300 16.117 24.551 205 HB3 MET 363 HB1 MET 363 25.772 17.074 25.938 206 HG2 MET 363 HG2 MET 363 25.613 15.104 27.323 207 HG3 MET 363 HG1 MET 363 25.866 14.046 25.933 208 HE1 MET 363 HE1 MET 363 29.440 13.905 25.219 209 HE2 MET 363 HE2 MET 363 27.841 14.017 24.489 210 HE3 MET 363 HE3 MET 363 28.130 12.859 25.785 211 H ARG 364 HN ARG 364 25.632 17.515 23.671 212 HA ARG 364 HA ARG 364 23.302 18.951 22.583 213 HE ARG 364 HE ARG 364 21.956 23.507 23.819 214 HB2 ARG 364 HB2 ARG 364 24.575 20.102 24.559 215 HB3 ARG 364 HB1 ARG 364 25.789 20.447 23.329 216 HG2 ARG 364 HG2 ARG 364 24.457 22.309 23.058 217 HG3 ARG 364 HG1 ARG 364 23.639 21.209 21.947 218 HD2 ARG 364 HD2 ARG 364 22.028 20.605 23.688 219 HD3 ARG 364 HD1 ARG 364 22.868 21.624 24.852 220 HH11 ARG 364 HH21 ARG 364 21.339 20.614 22.028 221 HH12 ARG 364 HH22 ARG 364 20.165 21.345 20.986 222 HH21 ARG 364 HH11 ARG 364 20.415 24.474 22.458 223 HH22 ARG 364 HH12 ARG 364 19.642 23.529 21.228 224 HA PRO 365 HA PRO 365 26.646 17.697 19.471 225 HB2 PRO 365 HB2 PRO 365 25.006 16.107 17.941 226 HB3 PRO 365 HB1 PRO 365 26.004 15.498 19.275 227 HG2 PRO 365 HG2 PRO 365 23.101 16.175 19.242 228 HG3 PRO 365 HG1 PRO 365 23.931 14.811 20.008 229 HD2 PRO 365 HD2 PRO 365 23.118 16.970 21.419 230 HD3 PRO 365 HD1 PRO 365 24.590 16.070 21.846 231 H LYS 366 HN LYS 366 23.179 18.340 18.975 232 HA LYS 366 HA LYS 366 22.065 19.732 17.529 233 HB2 LYS 366 HB2 LYS 366 24.697 21.189 17.243 234 HB3 LYS 366 HB1 LYS 366 23.074 21.841 17.019 235 HG2 LYS 366 HG2 LYS 366 22.579 21.466 19.400 236 HG3 LYS 366 HG1 LYS 366 24.191 20.788 19.634 237 HD2 LYS 366 HD2 LYS 366 24.277 23.396 18.324 238 HD3 LYS 366 HD1 LYS 366 23.499 23.471 19.905 239 HE2 LYS 366 HE2 LYS 366 25.937 23.802 20.106 240 HE3 LYS 366 HE1 LYS 366 25.432 22.319 20.916 241 HZ1 LYS 366 HZ1 LYS 366 27.174 21.548 19.695 242 HZ2 LYS 366 HZ2 LYS 366 26.948 22.664 18.435 243 HZ3 LYS 366 HZ3 LYS 366 25.930 21.310 18.568 244 H LYS 367 HN LYS 367 22.812 17.417 16.368 245 HA LYS 367 HA LYS 367 24.459 17.433 14.145 246 HB2 LYS 367 HB2 LYS 367 21.788 16.045 14.465 247 HB3 LYS 367 HB1 LYS 367 23.000 15.646 13.248 248 HG2 LYS 367 HG2 LYS 367 23.479 15.575 16.242 249 HG3 LYS 367 HG1 LYS 367 23.115 14.159 15.258 250 HD2 LYS 367 HD2 LYS 367 25.170 15.084 13.821 251 HD3 LYS 367 HD1 LYS 367 25.609 15.802 15.369 252 HE2 LYS 367 HE2 LYS 367 25.084 13.384 16.291 253 HE3 LYS 367 HE1 LYS 367 25.388 12.909 14.620 254 HZ1 LYS 367 HZ1 LYS 367 27.471 12.810 15.568 255 HZ2 LYS 367 HZ2 LYS 367 27.219 14.171 16.551 256 HZ3 LYS 367 HZ3 LYS 367 27.480 14.361 14.884 257 H1 ACE 336 HA2 ACE 336 38.496 8.870 -8.681 258 H2 ACE 336 HA3 ACE 336 38.529 10.576 -8.236 259 H3 ACE 336 HA1 ACE 336 36.995 9.795 -8.620 260 HN1 NH2 368 HN1 NH2 368 21.217 18.849 14.452 261 HN2 NH2 368 HN2 NH2 368 21.179 19.509 12.888 Start of MODEL 38 1 HA LYS 337 HA LYS 337 37.026 8.656 -5.950 2 H1 LYS 337 HN LYS 337 35.081 9.076 -7.856 3 HB2 LYS 337 HB2 LYS 337 36.934 10.904 -4.722 4 HB3 LYS 337 HB1 LYS 337 37.968 10.826 -6.137 5 HG2 LYS 337 HG2 LYS 337 36.859 12.732 -6.732 6 HG3 LYS 337 HG1 LYS 337 35.606 11.627 -7.277 7 HD2 LYS 337 HD2 LYS 337 34.714 11.746 -4.854 8 HD3 LYS 337 HD1 LYS 337 35.742 13.171 -4.696 9 HE2 LYS 337 HE2 LYS 337 33.610 12.776 -6.815 10 HE3 LYS 337 HE1 LYS 337 33.444 13.787 -5.380 11 HZ1 LYS 337 HZ1 LYS 337 34.884 15.336 -6.185 12 HZ2 LYS 337 HZ2 LYS 337 34.237 14.779 -7.655 13 HZ3 LYS 337 HZ3 LYS 337 35.754 14.223 -7.127 14 H SER 338 HN SER 338 33.875 9.766 -6.801 15 HA SER 338 HA SER 338 32.872 9.260 -4.078 16 HG SER 338 HG SER 338 29.911 10.114 -4.875 17 HB2 SER 338 HB2 SER 338 32.308 11.426 -5.274 18 HB3 SER 338 HB1 SER 338 31.352 10.463 -6.396 19 H TYR 339 HN TYR 339 32.787 7.034 -4.048 20 HA TYR 339 HA TYR 339 30.493 5.761 -4.942 21 HD1 TYR 339 HD1 TYR 339 34.131 5.707 -5.166 22 HD2 TYR 339 HD2 TYR 339 32.451 6.043 -9.108 23 HE1 TYR 339 HE1 TYR 339 36.296 6.474 -6.008 24 HE2 TYR 339 HE2 TYR 339 34.645 6.822 -9.960 25 HH TYR 339 HH TYR 339 37.494 6.963 -7.835 26 HB2 TYR 339 HB2 TYR 339 31.727 4.254 -6.720 27 HB3 TYR 339 HB1 TYR 339 31.006 5.784 -7.185 28 H MET 340 HN MET 340 33.147 3.796 -5.731 29 HA MET 340 HA MET 340 32.772 1.993 -3.600 30 HB2 MET 340 HB2 MET 340 34.826 0.927 -4.419 31 HB3 MET 340 HB1 MET 340 33.769 1.362 -5.762 32 HG2 MET 340 HG2 MET 340 35.217 3.641 -5.592 33 HG3 MET 340 HG1 MET 340 36.411 2.494 -4.990 34 HE1 MET 340 HE1 MET 340 36.180 3.568 -9.092 35 HE2 MET 340 HE2 MET 340 36.679 4.271 -7.556 36 HE3 MET 340 HE3 MET 340 34.965 4.172 -7.958 37 H ALA 341 HN ALA 341 34.139 5.013 -3.528 38 HA ALA 341 HA ALA 341 36.169 4.377 -1.519 39 HB1 ALA 341 HB1 ALA 341 36.562 6.020 -3.409 40 HB2 ALA 341 HB2 ALA 341 36.908 6.630 -1.790 41 HB3 ALA 341 HB3 ALA 341 35.411 7.087 -2.604 42 H TYR 342 HN TYR 342 32.997 5.830 -1.820 43 HA TYR 342 HA TYR 342 33.094 6.742 0.963 44 HD1 TYR 342 HD2 TYR 342 29.399 7.134 1.197 45 HD2 TYR 342 HD1 TYR 342 30.843 6.667 -2.818 46 HE1 TYR 342 HE2 TYR 342 27.200 6.217 0.514 47 HE2 TYR 342 HE1 TYR 342 28.647 5.748 -3.503 48 HH TYR 342 HH TYR 342 25.917 5.631 -1.236 49 HB2 TYR 342 HB2 TYR 342 31.474 8.242 0.421 50 HB3 TYR 342 HB1 TYR 342 32.086 7.957 -1.213 51 H LEU 343 HN LEU 343 31.083 4.629 -1.117 52 HA LEU 343 HA LEU 343 29.329 3.798 0.915 53 HG LEU 343 HG LEU 343 31.452 2.052 -1.391 54 HB2 LEU 343 HB2 LEU 343 28.588 2.118 -0.561 55 HB3 LEU 343 HB1 LEU 343 29.130 3.419 -1.616 56 HD11 LEU 343 HD11 LEU 343 31.209 -0.229 -1.101 57 HD12 LEU 343 HD12 LEU 343 29.541 -0.229 -1.668 58 HD13 LEU 343 HD13 LEU 343 29.916 0.311 -0.034 59 HD21 LEU 343 HD21 LEU 343 30.709 0.903 -3.549 60 HD22 LEU 343 HD22 LEU 343 30.526 2.655 -3.512 61 HD23 LEU 343 HD23 LEU 343 29.123 1.620 -3.272 62 H SER 344 HN SER 344 32.621 3.065 0.367 63 HA SER 344 HA SER 344 32.571 0.585 1.898 64 HG SER 344 HG SER 344 35.498 -0.321 0.723 65 HB2 SER 344 HB2 SER 344 34.141 1.135 -0.092 66 HB3 SER 344 HB1 SER 344 35.053 2.082 1.081 67 H ALA 345 HN ALA 345 32.317 3.741 2.664 68 HA ALA 345 HA ALA 345 33.770 3.419 5.224 69 HB1 ALA 345 HB1 ALA 345 34.019 5.879 5.240 70 HB2 ALA 345 HB2 ALA 345 33.256 5.954 3.652 71 HB3 ALA 345 HB3 ALA 345 34.814 5.150 3.846 72 H GLU 346 HN GLU 346 30.971 2.721 4.460 73 HA GLU 346 HA GLU 346 29.679 4.000 6.722 74 HB2 GLU 346 HB2 GLU 346 27.686 4.648 5.301 75 HB3 GLU 346 HB1 GLU 346 29.122 5.648 5.083 76 HG2 GLU 346 HG2 GLU 346 29.313 5.046 2.920 77 HG3 GLU 346 HG1 GLU 346 29.165 3.336 3.321 78 H LEU 347 HN LEU 347 30.428 1.375 6.403 79 HA LEU 347 HA LEU 347 27.828 0.009 6.036 80 HG LEU 347 HG LEU 347 31.291 -0.444 6.343 81 HB2 LEU 347 HB2 LEU 347 29.072 -1.979 5.303 82 HB3 LEU 347 HB1 LEU 347 29.405 -0.604 4.248 83 HD11 LEU 347 HD11 LEU 347 31.075 -3.244 5.194 84 HD12 LEU 347 HD12 LEU 347 30.784 -2.797 6.874 85 HD13 LEU 347 HD13 LEU 347 32.402 -2.648 6.189 86 HD21 LEU 347 HD21 LEU 347 31.704 0.258 4.054 87 HD22 LEU 347 HD22 LEU 347 31.485 -1.391 3.467 88 HD23 LEU 347 HD23 LEU 347 32.880 -0.989 4.470 89 H PHE 348 HN PHE 348 30.011 1.026 8.237 90 HA PHE 348 HA PHE 348 29.243 -1.092 10.135 91 HD1 PHE 348 HD1 PHE 348 31.583 1.879 9.382 92 HD2 PHE 348 HD2 PHE 348 33.044 -2.034 8.387 93 HE1 PHE 348 HE1 PHE 348 32.994 2.864 7.608 94 HE2 PHE 348 HE2 PHE 348 34.463 -1.049 6.609 95 HZ PHE 348 HZ PHE 348 34.439 1.399 6.218 96 HB2 PHE 348 HB2 PHE 348 31.716 -0.419 11.054 97 HB3 PHE 348 HB1 PHE 348 31.393 -1.817 10.027 98 H HIS 349 HN HIS 349 29.464 2.143 9.318 99 HA HIS 349 HA HIS 349 29.988 3.434 11.734 100 HD2 HIS 349 HD2 HIS 349 27.992 2.283 8.333 101 HE1 HIS 349 HE1 HIS 349 25.062 5.276 7.823 102 HE2 HIS 349 HE2 HIS 349 25.789 2.950 7.108 103 HB2 HIS 349 HB2 HIS 349 28.776 5.347 10.780 104 HB3 HIS 349 HB1 HIS 349 29.858 4.618 9.594 105 H LEU 350 HN LEU 350 27.389 1.419 10.917 106 HA LEU 350 HA LEU 350 25.858 2.382 13.262 107 HG LEU 350 HG LEU 350 25.602 3.494 10.428 108 HB2 LEU 350 HB2 LEU 350 24.709 1.191 10.728 109 HB3 LEU 350 HB1 LEU 350 23.794 1.752 12.126 110 HD11 LEU 350 HD11 LEU 350 22.594 3.154 10.484 111 HD12 LEU 350 HD12 LEU 350 23.675 2.876 9.119 112 HD13 LEU 350 HD13 LEU 350 23.405 4.516 9.711 113 HD21 LEU 350 HD21 LEU 350 25.526 4.718 12.362 114 HD22 LEU 350 HD22 LEU 350 24.088 3.889 12.955 115 HD23 LEU 350 HD23 LEU 350 23.934 5.175 11.761 116 H SER 351 HN SER 351 27.887 0.453 13.413 117 HA SER 351 HA SER 351 27.357 -2.190 13.094 118 HG SER 351 HG SER 351 27.926 -0.994 16.527 119 HB2 SER 351 HB2 SER 351 28.600 -2.588 15.216 120 HB3 SER 351 HB1 SER 351 29.400 -1.428 14.160 121 H GLY 352 HN GLY 352 25.314 -2.970 13.229 122 HA2 GLY 352 HA2 GLY 352 24.100 -4.142 15.202 123 HA3 GLY 352 HA1 GLY 352 23.766 -2.481 15.689 124 H ILE 353 HN ILE 353 23.292 -1.249 13.313 125 HA ILE 353 HA ILE 353 20.711 -2.395 12.556 126 HB ILE 353 HB ILE 353 21.993 0.272 11.926 127 HG12 ILE 353 HG12 ILE 353 19.522 0.219 13.487 128 HG13 ILE 353 HG11 ILE 353 20.829 -0.660 14.283 129 HG21 ILE 353 HG21 ILE 353 19.639 -1.117 10.860 130 HG22 ILE 353 HG22 ILE 353 20.474 0.309 10.245 131 HG23 ILE 353 HG23 ILE 353 19.264 0.476 11.517 132 HD11 ILE 353 HD11 ILE 353 20.792 1.766 14.882 133 HD12 ILE 353 HD12 ILE 353 21.076 2.156 13.187 134 HD13 ILE 353 HD13 ILE 353 22.299 1.277 14.106 135 H MET 354 HN MET 354 23.784 -1.408 11.144 136 HA MET 354 HA MET 354 23.108 -2.030 8.445 137 HB2 MET 354 HB2 MET 354 25.473 -1.730 7.988 138 HB3 MET 354 HB1 MET 354 24.929 -0.464 9.090 139 HG2 MET 354 HG2 MET 354 26.853 -1.163 10.185 140 HG3 MET 354 HG1 MET 354 25.658 -2.218 10.939 141 HE1 MET 354 HE1 MET 354 28.426 -4.779 10.782 142 HE2 MET 354 HE2 MET 354 27.107 -4.054 11.695 143 HE3 MET 354 HE3 MET 354 28.503 -3.076 11.250 144 H ALA 355 HN ALA 355 24.101 -3.871 11.164 145 HA ALA 355 HA ALA 355 25.177 -6.092 9.657 146 HB1 ALA 355 HB1 ALA 355 26.090 -6.528 11.655 147 HB2 ALA 355 HB2 ALA 355 24.486 -6.888 12.292 148 HB3 ALA 355 HB3 ALA 355 25.128 -5.248 12.395 149 H LEU 356 HN LEU 356 22.104 -4.934 10.338 150 HA LEU 356 HA LEU 356 20.931 -7.582 9.760 151 HG LEU 356 HG LEU 356 20.697 -4.539 11.684 152 HB2 LEU 356 HB2 LEU 356 19.047 -7.033 11.245 153 HB3 LEU 356 HB1 LEU 356 20.569 -7.058 12.123 154 HD11 LEU 356 HD11 LEU 356 18.024 -5.153 10.571 155 HD12 LEU 356 HD12 LEU 356 19.082 -3.780 10.270 156 HD13 LEU 356 HD13 LEU 356 18.058 -3.804 11.703 157 HD21 LEU 356 HD21 LEU 356 19.317 -4.053 13.655 158 HD22 LEU 356 HD22 LEU 356 20.200 -5.562 13.883 159 HD23 LEU 356 HD23 LEU 356 18.487 -5.597 13.467 160 H ILE 357 HN ILE 357 21.347 -4.388 8.868 161 HA ILE 357 HA ILE 357 19.037 -3.383 7.896 162 HB ILE 357 HB ILE 357 21.839 -3.326 7.006 163 HG12 ILE 357 HG12 ILE 357 20.823 -1.532 8.351 164 HG13 ILE 357 HG11 ILE 357 21.377 -0.910 6.806 165 HG21 ILE 357 HG21 ILE 357 21.006 -3.943 4.837 166 HG22 ILE 357 HG22 ILE 357 21.280 -2.204 4.820 167 HG23 ILE 357 HG23 ILE 357 19.641 -2.828 4.980 168 HD11 ILE 357 HD11 ILE 357 18.742 -1.702 6.311 169 HD12 ILE 357 HD12 ILE 357 19.307 -0.051 6.554 170 HD13 ILE 357 HD13 ILE 357 18.687 -0.983 7.917 171 H ALA 358 HN ALA 358 20.946 -5.947 6.369 172 HA ALA 358 HA ALA 358 18.856 -6.389 4.371 173 HB1 ALA 358 HB1 ALA 358 20.508 -7.235 3.107 174 HB2 ALA 358 HB2 ALA 358 21.026 -8.326 4.393 175 HB3 ALA 358 HB3 ALA 358 21.624 -6.668 4.349 176 H SER 359 HN SER 359 20.344 -8.021 7.133 177 HA SER 359 HA SER 359 19.015 -10.495 6.877 178 HG SER 359 HG SER 359 20.878 -11.659 8.638 179 HB2 SER 359 HB2 SER 359 20.939 -9.579 8.524 180 HB3 SER 359 HB1 SER 359 19.555 -9.476 9.611 181 H GLY 360 HN GLY 360 17.627 -7.555 7.185 182 HA2 GLY 360 HA2 GLY 360 15.307 -8.621 8.690 183 HA3 GLY 360 HA1 GLY 360 15.816 -6.937 8.768 184 H VAL 361 HN VAL 361 16.517 -7.238 5.814 185 HA VAL 361 HA VAL 361 13.896 -7.376 4.573 186 HB VAL 361 HB VAL 361 15.450 -4.852 5.028 187 HG11 VAL 361 HG11 VAL 361 13.786 -3.940 3.181 188 HG12 VAL 361 HG12 VAL 361 13.860 -5.597 2.584 189 HG13 VAL 361 HG13 VAL 361 15.334 -4.634 2.704 190 HG21 VAL 361 HG21 VAL 361 13.549 -5.199 6.470 191 HG22 VAL 361 HG22 VAL 361 12.512 -5.615 5.103 192 HG23 VAL 361 HG23 VAL 361 13.099 -3.965 5.295 193 H VAL 362 HN VAL 362 14.573 -8.924 3.161 194 HA VAL 362 HA VAL 362 16.435 -8.071 1.080 195 HB VAL 362 HB VAL 362 16.975 -10.218 3.062 196 HG11 VAL 362 HG11 VAL 362 18.424 -11.372 1.286 197 HG12 VAL 362 HG12 VAL 362 17.448 -10.530 0.085 198 HG13 VAL 362 HG13 VAL 362 16.692 -11.681 1.192 199 HG21 VAL 362 HG21 VAL 362 19.299 -9.570 2.543 200 HG22 VAL 362 HG22 VAL 362 18.322 -8.155 2.925 201 HG23 VAL 362 HG23 VAL 362 18.721 -8.522 1.247 202 H MET 363 HN MET 363 14.660 -10.952 2.233 203 HA MET 363 HA MET 363 13.436 -12.513 1.039 204 HB2 MET 363 HB2 MET 363 12.312 -9.901 0.002 205 HB3 MET 363 HB1 MET 363 11.528 -11.472 -0.163 206 HG2 MET 363 HG2 MET 363 11.032 -11.618 2.093 207 HG3 MET 363 HG1 MET 363 12.406 -10.617 2.565 208 HE1 MET 363 HE1 MET 363 8.760 -10.634 2.799 209 HE2 MET 363 HE2 MET 363 8.994 -10.927 1.078 210 HE3 MET 363 HE3 MET 363 8.156 -9.471 1.610 211 H ARG 364 HN ARG 364 12.292 -12.466 -1.475 212 HA ARG 364 HA ARG 364 14.547 -12.097 -3.338 213 HE ARG 364 HE ARG 364 16.204 -17.285 -1.826 214 HB2 ARG 364 HB2 ARG 364 12.851 -14.596 -3.132 215 HB3 ARG 364 HB1 ARG 364 14.107 -14.296 -4.333 216 HG2 ARG 364 HG2 ARG 364 15.445 -13.789 -1.987 217 HG3 ARG 364 HG1 ARG 364 14.365 -15.099 -1.510 218 HD2 ARG 364 HD2 ARG 364 15.143 -16.293 -3.648 219 HD3 ARG 364 HD1 ARG 364 16.430 -15.093 -3.714 220 HH11 ARG 364 HH21 ARG 364 17.550 -14.184 -2.563 221 HH12 ARG 364 HH22 ARG 364 18.896 -14.359 -1.485 222 HH21 ARG 364 HH11 ARG 364 17.963 -17.520 -0.409 223 HH22 ARG 364 HH12 ARG 364 19.129 -16.248 -0.267 224 HA PRO 365 HA PRO 365 10.395 -10.637 -4.942 225 HB2 PRO 365 HB2 PRO 365 11.129 -8.038 -5.389 226 HB3 PRO 365 HB1 PRO 365 10.452 -8.611 -3.853 227 HG2 PRO 365 HG2 PRO 365 13.278 -8.052 -4.583 228 HG3 PRO 365 HG1 PRO 365 12.424 -7.758 -3.060 229 HD2 PRO 365 HD2 PRO 365 14.129 -9.861 -3.463 230 HD3 PRO 365 HD1 PRO 365 12.795 -9.894 -2.292 231 H LYS 366 HN LYS 366 13.689 -9.861 -5.969 232 HA LYS 366 HA LYS 366 14.512 -9.342 -8.090 233 HB2 LYS 366 HB2 LYS 366 14.079 -11.626 -9.489 234 HB3 LYS 366 HB1 LYS 366 15.275 -11.469 -8.216 235 HG2 LYS 366 HG2 LYS 366 14.068 -13.465 -7.744 236 HG3 LYS 366 HG1 LYS 366 13.475 -12.283 -6.589 237 HD2 LYS 366 HD2 LYS 366 11.389 -12.705 -7.337 238 HD3 LYS 366 HD1 LYS 366 11.850 -11.999 -8.884 239 HE2 LYS 366 HE2 LYS 366 12.247 -14.900 -8.100 240 HE3 LYS 366 HE1 LYS 366 10.980 -14.295 -9.168 241 HZ1 LYS 366 HZ1 LYS 366 12.392 -14.346 -10.851 242 HZ2 LYS 366 HZ2 LYS 366 13.591 -14.992 -9.836 243 HZ3 LYS 366 HZ3 LYS 366 13.462 -13.310 -10.038 244 H LYS 367 HN LYS 367 11.914 -8.227 -7.830 245 HA LYS 367 HA LYS 367 10.235 -7.322 -9.110 246 HB2 LYS 367 HB2 LYS 367 12.066 -8.062 -11.405 247 HB3 LYS 367 HB1 LYS 367 10.769 -6.868 -11.442 248 HG2 LYS 367 HG2 LYS 367 12.146 -5.295 -10.613 249 HG3 LYS 367 HG1 LYS 367 12.498 -6.309 -9.213 250 HD2 LYS 367 HD2 LYS 367 14.266 -7.455 -10.410 251 HD3 LYS 367 HD1 LYS 367 13.846 -6.623 -11.909 252 HE2 LYS 367 HE2 LYS 367 15.739 -5.467 -10.986 253 HE3 LYS 367 HE1 LYS 367 14.332 -4.441 -10.708 254 HZ1 LYS 367 HZ1 LYS 367 15.104 -4.444 -8.613 255 HZ2 LYS 367 HZ2 LYS 367 15.978 -5.888 -8.808 256 HZ3 LYS 367 HZ3 LYS 367 14.307 -5.938 -8.508 257 H1 ACE 336 HA2 ACE 336 37.023 8.966 -10.543 258 H2 ACE 336 HA3 ACE 336 36.312 10.577 -10.431 259 H3 ACE 336 HA1 ACE 336 35.360 9.161 -9.984 260 HN1 NH2 368 HN1 NH2 368 9.074 -9.479 -8.408 261 HN2 NH2 368 HN2 NH2 368 8.520 -10.459 -9.678 Start of MODEL 39 1 HA LYS 337 HA LYS 337 36.482 8.106 -4.504 2 H1 LYS 337 HN LYS 337 35.871 10.167 -6.458 3 HB2 LYS 337 HB2 LYS 337 36.945 9.445 -2.674 4 HB3 LYS 337 HB1 LYS 337 37.764 10.322 -3.957 5 HG2 LYS 337 HG2 LYS 337 35.029 10.990 -2.795 6 HG3 LYS 337 HG1 LYS 337 36.514 11.879 -2.541 7 HD2 LYS 337 HD2 LYS 337 35.245 11.478 -5.267 8 HD3 LYS 337 HD1 LYS 337 35.007 12.904 -4.267 9 HE2 LYS 337 HE2 LYS 337 36.782 13.652 -5.523 10 HE3 LYS 337 HE1 LYS 337 37.690 12.863 -4.237 11 HZ1 LYS 337 HZ1 LYS 337 36.840 11.301 -6.572 12 HZ2 LYS 337 HZ2 LYS 337 38.178 11.071 -5.551 13 HZ3 LYS 337 HZ3 LYS 337 38.190 12.319 -6.705 14 H SER 338 HN SER 338 34.274 9.373 -6.387 15 HA SER 338 HA SER 338 32.113 9.509 -4.401 16 HG SER 338 HG SER 338 32.105 9.014 -7.721 17 HB2 SER 338 HB2 SER 338 30.770 10.464 -6.154 18 HB3 SER 338 HB1 SER 338 32.326 11.288 -6.134 19 H TYR 339 HN TYR 339 32.696 7.020 -4.244 20 HA TYR 339 HA TYR 339 30.473 5.605 -5.090 21 HD1 TYR 339 HD1 TYR 339 34.151 5.563 -5.433 22 HD2 TYR 339 HD2 TYR 339 32.178 6.186 -9.198 23 HE1 TYR 339 HE1 TYR 339 36.182 6.644 -6.312 24 HE2 TYR 339 HE2 TYR 339 34.227 7.265 -10.085 25 HH TYR 339 HH TYR 339 37.186 6.972 -8.737 26 HB2 TYR 339 HB2 TYR 339 31.837 4.088 -6.819 27 HB3 TYR 339 HB1 TYR 339 30.926 5.503 -7.317 28 H MET 340 HN MET 340 33.135 3.625 -5.780 29 HA MET 340 HA MET 340 32.761 1.950 -3.570 30 HB2 MET 340 HB2 MET 340 34.935 0.932 -4.270 31 HB3 MET 340 HB1 MET 340 33.781 1.116 -5.590 32 HG2 MET 340 HG2 MET 340 35.810 1.916 -6.499 33 HG3 MET 340 HG1 MET 340 34.949 3.381 -6.038 34 HE1 MET 340 HE1 MET 340 38.463 3.583 -6.184 35 HE2 MET 340 HE2 MET 340 38.021 4.932 -5.142 36 HE3 MET 340 HE3 MET 340 36.942 4.446 -6.444 37 H ALA 341 HN ALA 341 34.172 4.969 -3.636 38 HA ALA 341 HA ALA 341 36.135 4.416 -1.542 39 HB1 ALA 341 HB1 ALA 341 36.551 6.002 -3.471 40 HB2 ALA 341 HB2 ALA 341 36.858 6.667 -1.865 41 HB3 ALA 341 HB3 ALA 341 35.374 7.080 -2.723 42 H TYR 342 HN TYR 342 32.964 5.859 -1.952 43 HA TYR 342 HA TYR 342 32.991 6.846 0.804 44 HD1 TYR 342 HD1 TYR 342 29.310 7.104 0.992 45 HD2 TYR 342 HD2 TYR 342 30.769 6.656 -3.021 46 HE1 TYR 342 HE1 TYR 342 27.140 6.120 0.312 47 HE2 TYR 342 HE2 TYR 342 28.601 5.670 -3.701 48 HH TYR 342 HH TYR 342 26.540 5.143 -3.067 49 HB2 TYR 342 HB2 TYR 342 31.351 8.295 0.181 50 HB3 TYR 342 HB1 TYR 342 31.988 7.963 -1.433 51 H LEU 343 HN LEU 343 31.051 4.632 -1.243 52 HA LEU 343 HA LEU 343 29.333 3.819 0.845 53 HG LEU 343 HG LEU 343 31.359 2.144 -1.581 54 HB2 LEU 343 HB2 LEU 343 28.549 2.125 -0.610 55 HB3 LEU 343 HB1 LEU 343 28.989 3.469 -1.657 56 HD11 LEU 343 HD11 LEU 343 29.956 0.327 -0.231 57 HD12 LEU 343 HD12 LEU 343 31.130 -0.167 -1.445 58 HD13 LEU 343 HD13 LEU 343 29.415 -0.125 -1.845 59 HD21 LEU 343 HD21 LEU 343 30.269 2.859 -3.618 60 HD22 LEU 343 HD22 LEU 343 28.968 1.697 -3.390 61 HD23 LEU 343 HD23 LEU 343 30.594 1.135 -3.773 62 H SER 344 HN SER 344 32.602 3.144 0.229 63 HA SER 344 HA SER 344 32.608 0.624 1.707 64 HG SER 344 HG SER 344 35.362 0.557 2.211 65 HB2 SER 344 HB2 SER 344 34.096 0.994 -0.285 66 HB3 SER 344 HB1 SER 344 34.960 2.211 0.652 67 H ALA 345 HN ALA 345 32.381 3.777 2.502 68 HA ALA 345 HA ALA 345 33.981 3.480 4.975 69 HB1 ALA 345 HB1 ALA 345 34.814 5.311 3.618 70 HB2 ALA 345 HB2 ALA 345 33.994 5.971 5.032 71 HB3 ALA 345 HB3 ALA 345 33.187 5.978 3.463 72 H GLU 346 HN GLU 346 30.976 3.045 3.967 73 HA GLU 346 HA GLU 346 29.823 3.966 6.511 74 HB2 GLU 346 HB2 GLU 346 27.761 4.682 5.261 75 HB3 GLU 346 HB1 GLU 346 29.174 5.698 4.968 76 HG2 GLU 346 HG2 GLU 346 29.252 5.139 2.784 77 HG3 GLU 346 HG1 GLU 346 29.024 3.426 3.134 78 H LEU 347 HN LEU 347 30.437 1.488 6.503 79 HA LEU 347 HA LEU 347 27.927 0.049 5.957 80 HG LEU 347 HG LEU 347 31.410 -0.226 6.078 81 HB2 LEU 347 HB2 LEU 347 29.264 -1.921 5.206 82 HB3 LEU 347 HB1 LEU 347 29.382 -0.544 4.110 83 HD11 LEU 347 HD11 LEU 347 31.233 -2.616 6.552 84 HD12 LEU 347 HD12 LEU 347 32.720 -2.309 5.655 85 HD13 LEU 347 HD13 LEU 347 31.318 -2.990 4.831 86 HD21 LEU 347 HD21 LEU 347 31.522 0.608 3.785 87 HD22 LEU 347 HD22 LEU 347 31.477 -1.039 3.154 88 HD23 LEU 347 HD23 LEU 347 32.879 -0.483 4.068 89 H PHE 348 HN PHE 348 30.008 1.084 8.193 90 HA PHE 348 HA PHE 348 29.349 -1.109 10.032 91 HD1 PHE 348 HD1 PHE 348 31.591 1.815 9.174 92 HD2 PHE 348 HD2 PHE 348 33.190 -2.047 8.190 93 HE1 PHE 348 HE1 PHE 348 32.955 2.843 7.391 94 HE2 PHE 348 HE2 PHE 348 34.561 -1.018 6.398 95 HZ PHE 348 HZ PHE 348 34.445 1.425 5.997 96 HB2 PHE 348 HB2 PHE 348 31.875 -0.544 10.858 97 HB3 PHE 348 HB1 PHE 348 31.474 -1.884 9.784 98 H HIS 349 HN HIS 349 29.473 2.127 9.317 99 HA HIS 349 HA HIS 349 30.224 3.353 11.715 100 HD2 HIS 349 HD2 HIS 349 28.018 3.079 7.797 101 HE1 HIS 349 HE1 HIS 349 24.508 4.777 9.417 102 HE2 HIS 349 HE2 HIS 349 25.446 3.415 7.490 103 HB2 HIS 349 HB2 HIS 349 29.009 5.287 10.921 104 HB3 HIS 349 HB1 HIS 349 29.807 4.522 9.549 105 H LEU 350 HN LEU 350 27.020 2.269 10.613 106 HA LEU 350 HA LEU 350 25.316 3.013 12.530 107 HG LEU 350 HG LEU 350 26.866 0.099 11.216 108 HB2 LEU 350 HB2 LEU 350 24.420 0.530 12.362 109 HB3 LEU 350 HB1 LEU 350 24.327 1.610 10.976 110 HD11 LEU 350 HD11 LEU 350 24.239 -1.283 10.599 111 HD12 LEU 350 HD12 LEU 350 25.295 -1.620 11.972 112 HD13 LEU 350 HD13 LEU 350 25.838 -1.979 10.333 113 HD21 LEU 350 HD21 LEU 350 26.723 0.086 8.865 114 HD22 LEU 350 HD22 LEU 350 25.943 1.605 9.295 115 HD23 LEU 350 HD23 LEU 350 24.964 0.200 8.880 116 H SER 351 HN SER 351 27.483 0.195 12.877 117 HA SER 351 HA SER 351 26.712 -0.533 15.452 118 HG SER 351 HG SER 351 28.368 -2.494 13.201 119 HB2 SER 351 HB2 SER 351 29.345 -0.851 14.019 120 HB3 SER 351 HB1 SER 351 29.003 -1.582 15.584 121 H GLY 352 HN GLY 352 26.437 1.710 16.387 122 HA2 GLY 352 HA2 GLY 352 27.797 2.353 18.515 123 HA3 GLY 352 HA1 GLY 352 28.973 2.889 17.313 124 H ILE 353 HN ILE 353 27.168 3.757 15.375 125 HA ILE 353 HA ILE 353 26.333 6.302 16.542 126 HB ILE 353 HB ILE 353 26.775 5.275 13.751 127 HG12 ILE 353 HG12 ILE 353 27.876 7.851 14.716 128 HG13 ILE 353 HG11 ILE 353 28.462 6.425 15.570 129 HG21 ILE 353 HG21 ILE 353 24.915 6.585 13.301 130 HG22 ILE 353 HG22 ILE 353 26.182 7.810 13.239 131 HG23 ILE 353 HG23 ILE 353 25.190 7.640 14.687 132 HD11 ILE 353 HD11 ILE 353 29.071 5.389 13.406 133 HD12 ILE 353 HD12 ILE 353 29.908 6.923 13.650 134 HD13 ILE 353 HD13 ILE 353 28.516 6.842 12.571 135 H MET 354 HN MET 354 25.099 3.348 15.286 136 HA MET 354 HA MET 354 22.488 4.195 14.595 137 HB2 MET 354 HB2 MET 354 21.963 1.895 14.372 138 HB3 MET 354 HB1 MET 354 23.638 2.074 13.859 139 HG2 MET 354 HG2 MET 354 24.207 1.551 16.351 140 HG3 MET 354 HG1 MET 354 22.569 0.903 16.412 141 HE1 MET 354 HE1 MET 354 21.679 -0.590 14.319 142 HE2 MET 354 HE2 MET 354 21.982 -1.380 15.864 143 HE3 MET 354 HE3 MET 354 22.479 -2.167 14.368 144 H ALA 355 HN ALA 355 23.973 2.935 17.514 145 HA ALA 355 HA ALA 355 21.622 2.467 19.010 146 HB1 ALA 355 HB1 ALA 355 23.700 3.166 20.787 147 HB2 ALA 355 HB2 ALA 355 24.468 2.363 19.417 148 HB3 ALA 355 HB3 ALA 355 23.191 1.544 20.317 149 H LEU 356 HN LEU 356 23.250 5.331 18.098 150 HA LEU 356 HA LEU 356 21.648 6.877 20.045 151 HG LEU 356 HG LEU 356 24.590 6.706 17.980 152 HB2 LEU 356 HB2 LEU 356 23.376 8.602 19.989 153 HB3 LEU 356 HB1 LEU 356 24.066 7.059 20.474 154 HD11 LEU 356 HD11 LEU 356 25.150 9.275 17.178 155 HD12 LEU 356 HD12 LEU 356 23.584 9.487 17.953 156 HD13 LEU 356 HD13 LEU 356 23.764 8.339 16.630 157 HD21 LEU 356 HD21 LEU 356 26.356 7.032 19.571 158 HD22 LEU 356 HD22 LEU 356 25.997 8.753 19.705 159 HD23 LEU 356 HD23 LEU 356 26.690 8.111 18.216 160 H ILE 357 HN ILE 357 22.075 6.063 16.809 161 HA ILE 357 HA ILE 357 21.772 8.248 15.231 162 HB ILE 357 HB ILE 357 20.701 5.526 15.155 163 HG12 ILE 357 HG12 ILE 357 21.562 7.441 12.965 164 HG13 ILE 357 HG11 ILE 357 22.664 6.422 13.882 165 HG21 ILE 357 HG21 ILE 357 19.039 6.012 13.334 166 HG22 ILE 357 HG22 ILE 357 19.155 7.720 13.733 167 HG23 ILE 357 HG23 ILE 357 18.517 6.572 14.916 168 HD11 ILE 357 HD11 ILE 357 20.675 4.665 12.997 169 HD12 ILE 357 HD12 ILE 357 22.306 4.818 12.344 170 HD13 ILE 357 HD13 ILE 357 20.978 5.725 11.621 171 H ALA 358 HN ALA 358 19.274 6.890 17.324 172 HA ALA 358 HA ALA 358 17.453 9.096 16.701 173 HB1 ALA 358 HB1 ALA 358 16.899 6.527 17.105 174 HB2 ALA 358 HB2 ALA 358 15.773 7.798 17.582 175 HB3 ALA 358 HB3 ALA 358 16.829 7.057 18.785 176 H SER 359 HN SER 359 19.688 8.101 19.155 177 HA SER 359 HA SER 359 18.612 9.949 21.141 178 HG SER 359 HG SER 359 19.413 9.787 22.985 179 HB2 SER 359 HB2 SER 359 19.882 7.578 21.419 180 HB3 SER 359 HB1 SER 359 21.251 8.676 21.571 181 H GLY 360 HN GLY 360 20.369 10.333 18.425 182 HA2 GLY 360 HA2 GLY 360 21.802 12.671 19.531 183 HA3 GLY 360 HA1 GLY 360 22.606 11.573 18.413 184 H VAL 361 HN VAL 361 19.261 12.752 18.354 185 HA VAL 361 HA VAL 361 19.692 14.668 16.292 186 HB VAL 361 HB VAL 361 20.002 12.439 15.089 187 HG11 VAL 361 HG11 VAL 361 18.039 11.415 16.409 188 HG12 VAL 361 HG12 VAL 361 18.103 11.075 14.680 189 HG13 VAL 361 HG13 VAL 361 16.991 12.296 15.298 190 HG21 VAL 361 HG21 VAL 361 18.506 13.175 13.189 191 HG22 VAL 361 HG22 VAL 361 19.533 14.455 13.834 192 HG23 VAL 361 HG23 VAL 361 17.826 14.388 14.273 193 H VAL 362 HN VAL 362 17.432 12.419 17.824 194 HA VAL 362 HA VAL 362 15.272 12.668 18.557 195 HB VAL 362 HB VAL 362 16.328 15.483 18.795 196 HG11 VAL 362 HG11 VAL 362 13.993 15.846 18.569 197 HG12 VAL 362 HG12 VAL 362 14.260 15.763 20.310 198 HG13 VAL 362 HG13 VAL 362 13.598 14.372 19.454 199 HG21 VAL 362 HG21 VAL 362 15.621 13.342 20.824 200 HG22 VAL 362 HG22 VAL 362 16.319 14.919 21.188 201 HG23 VAL 362 HG23 VAL 362 17.254 13.729 20.283 202 H MET 363 HN MET 363 13.140 13.395 17.968 203 HA MET 363 HA MET 363 12.936 14.845 15.420 204 HB2 MET 363 HB2 MET 363 11.555 12.197 15.902 205 HB3 MET 363 HB1 MET 363 11.532 13.159 14.424 206 HG2 MET 363 HG2 MET 363 14.103 12.915 14.446 207 HG3 MET 363 HG1 MET 363 13.840 11.628 15.624 208 HE1 MET 363 HE1 MET 363 11.064 10.265 14.654 209 HE2 MET 363 HE2 MET 363 12.553 9.664 15.380 210 HE3 MET 363 HE3 MET 363 11.940 8.925 13.903 211 H ARG 364 HN ARG 364 10.108 13.287 15.862 212 HA ARG 364 HA ARG 364 9.018 15.211 17.802 213 HE ARG 364 HE ARG 364 7.090 13.282 12.563 214 HB2 ARG 364 HB2 ARG 364 7.092 15.619 16.262 215 HB3 ARG 364 HB1 ARG 364 8.622 16.250 15.654 216 HG2 ARG 364 HG2 ARG 364 8.516 14.930 13.835 217 HG3 ARG 364 HG1 ARG 364 8.276 13.496 14.834 218 HD2 ARG 364 HD2 ARG 364 5.871 14.042 15.023 219 HD3 ARG 364 HD1 ARG 364 6.116 15.451 13.996 220 HH11 ARG 364 HH21 ARG 364 4.114 14.297 14.009 221 HH12 ARG 364 HH22 ARG 364 3.114 13.478 12.855 222 HH21 ARG 364 HH11 ARG 364 5.785 12.206 11.046 223 HH22 ARG 364 HH12 ARG 364 4.060 12.294 11.179 224 HA PRO 365 HA PRO 365 7.487 10.716 18.014 225 HB2 PRO 365 HB2 PRO 365 8.401 10.296 20.591 226 HB3 PRO 365 HB1 PRO 365 9.291 9.841 19.126 227 HG2 PRO 365 HG2 PRO 365 9.622 12.225 20.878 228 HG3 PRO 365 HG1 PRO 365 10.852 11.234 20.074 229 HD2 PRO 365 HD2 PRO 365 10.109 13.653 19.118 230 HD3 PRO 365 HD1 PRO 365 10.593 12.325 18.039 231 H LYS 366 HN LYS 366 7.654 13.214 20.548 232 HA LYS 366 HA LYS 366 6.112 13.910 22.114 233 HB2 LYS 366 HB2 LYS 366 4.621 13.615 19.543 234 HB3 LYS 366 HB1 LYS 366 3.704 13.965 21.008 235 HG2 LYS 366 HG2 LYS 366 4.990 15.961 21.426 236 HG3 LYS 366 HG1 LYS 366 6.124 15.563 20.134 237 HD2 LYS 366 HD2 LYS 366 3.247 15.733 19.384 238 HD3 LYS 366 HD1 LYS 366 4.062 17.252 19.763 239 HE2 LYS 366 HE2 LYS 366 5.597 17.017 18.013 240 HE3 LYS 366 HE1 LYS 366 5.377 15.270 17.923 241 HZ1 LYS 366 HZ1 LYS 366 4.100 15.840 16.174 242 HZ2 LYS 366 HZ2 LYS 366 3.791 17.409 16.751 243 HZ3 LYS 366 HZ3 LYS 366 2.919 16.086 17.368 244 H LYS 367 HN LYS 367 6.541 10.873 21.606 245 HA LYS 367 HA LYS 367 5.669 8.872 22.353 246 HB2 LYS 367 HB2 LYS 367 4.687 10.734 24.530 247 HB3 LYS 367 HB1 LYS 367 4.780 8.977 24.657 248 HG2 LYS 367 HG2 LYS 367 7.265 10.310 23.759 249 HG3 LYS 367 HG1 LYS 367 6.788 10.648 25.423 250 HD2 LYS 367 HD2 LYS 367 6.639 8.240 25.889 251 HD3 LYS 367 HD1 LYS 367 7.073 7.880 24.218 252 HE2 LYS 367 HE2 LYS 367 9.277 8.289 24.578 253 HE3 LYS 367 HE1 LYS 367 8.943 9.710 25.568 254 HZ1 LYS 367 HZ1 LYS 367 9.903 8.087 26.972 255 HZ2 LYS 367 HZ2 LYS 367 8.868 6.865 26.402 256 HZ3 LYS 367 HZ3 LYS 367 8.252 8.131 27.355 257 H1 ACE 336 HA2 ACE 336 38.480 10.576 -7.899 258 H2 ACE 336 HA3 ACE 336 36.938 9.916 -8.447 259 H3 ACE 336 HA1 ACE 336 38.400 8.934 -8.531 260 HN1 NH2 368 HN1 NH2 368 2.958 9.899 24.109 261 HN2 NH2 368 HN2 NH2 368 1.774 9.570 22.938 Start of MODEL 40 1 HA LYS 337 HA LYS 337 36.438 8.160 -4.617 2 H1 LYS 337 HN LYS 337 35.634 10.038 -6.591 3 HB2 LYS 337 HB2 LYS 337 36.934 9.569 -2.761 4 HB3 LYS 337 HB1 LYS 337 37.946 10.124 -4.090 5 HG2 LYS 337 HG2 LYS 337 35.380 11.398 -3.090 6 HG3 LYS 337 HG1 LYS 337 37.002 12.075 -3.033 7 HD2 LYS 337 HD2 LYS 337 36.991 11.877 -5.601 8 HD3 LYS 337 HD1 LYS 337 35.247 11.641 -5.450 9 HE2 LYS 337 HE2 LYS 337 36.804 14.016 -4.388 10 HE3 LYS 337 HE1 LYS 337 35.777 14.019 -5.821 11 HZ1 LYS 337 HZ1 LYS 337 33.971 13.195 -4.248 12 HZ2 LYS 337 HZ2 LYS 337 34.419 14.831 -4.139 13 HZ3 LYS 337 HZ3 LYS 337 34.987 13.712 -2.992 14 H SER 338 HN SER 338 34.124 9.150 -6.303 15 HA SER 338 HA SER 338 32.135 9.454 -4.130 16 HG SER 338 HG SER 338 33.027 9.967 -7.341 17 HB2 SER 338 HB2 SER 338 30.680 10.457 -5.914 18 HB3 SER 338 HB1 SER 338 32.111 11.407 -5.529 19 H TYR 339 HN TYR 339 32.626 6.953 -4.241 20 HA TYR 339 HA TYR 339 30.301 5.686 -5.096 21 HD1 TYR 339 HD1 TYR 339 33.968 5.629 -5.564 22 HD2 TYR 339 HD2 TYR 339 31.867 6.534 -9.200 23 HE1 TYR 339 HE1 TYR 339 35.974 6.772 -6.434 24 HE2 TYR 339 HE2 TYR 339 33.885 7.676 -10.075 25 HH TYR 339 HH TYR 339 36.955 7.431 -8.522 26 HB2 TYR 339 HB2 TYR 339 31.622 4.253 -6.956 27 HB3 TYR 339 HB1 TYR 339 30.682 5.686 -7.338 28 H MET 340 HN MET 340 32.997 3.759 -5.969 29 HA MET 340 HA MET 340 32.620 1.969 -3.807 30 HB2 MET 340 HB2 MET 340 34.611 0.828 -4.681 31 HB3 MET 340 HB1 MET 340 33.503 1.257 -5.984 32 HG2 MET 340 HG2 MET 340 35.542 1.984 -6.852 33 HG3 MET 340 HG1 MET 340 34.931 3.457 -6.101 34 HE1 MET 340 HE1 MET 340 37.871 3.649 -6.614 35 HE2 MET 340 HE2 MET 340 38.392 4.228 -5.034 36 HE3 MET 340 HE3 MET 340 36.839 4.744 -5.686 37 H ALA 341 HN ALA 341 33.948 4.965 -3.765 38 HA ALA 341 HA ALA 341 36.094 4.343 -1.864 39 HB1 ALA 341 HB1 ALA 341 35.258 7.034 -2.946 40 HB2 ALA 341 HB2 ALA 341 36.430 5.983 -3.742 41 HB3 ALA 341 HB3 ALA 341 36.773 6.629 -2.137 42 H TYR 342 HN TYR 342 32.917 5.833 -2.025 43 HA TYR 342 HA TYR 342 33.120 6.751 0.743 44 HD1 TYR 342 HD2 TYR 342 29.405 6.977 1.117 45 HD2 TYR 342 HD1 TYR 342 30.720 6.559 -2.947 46 HE1 TYR 342 HE2 TYR 342 27.223 5.966 0.515 47 HE2 TYR 342 HE1 TYR 342 28.541 5.546 -3.551 48 HH TYR 342 HH TYR 342 26.672 4.201 -2.091 49 HB2 TYR 342 HB2 TYR 342 31.399 8.173 0.266 50 HB3 TYR 342 HB1 TYR 342 31.968 7.907 -1.385 51 H LEU 343 HN LEU 343 31.104 4.545 -1.206 52 HA LEU 343 HA LEU 343 29.453 3.664 0.891 53 HG LEU 343 HG LEU 343 31.510 2.552 -1.843 54 HB2 LEU 343 HB2 LEU 343 28.882 1.803 -0.560 55 HB3 LEU 343 HB1 LEU 343 29.026 3.266 -1.525 56 HD11 LEU 343 HD11 LEU 343 31.052 -0.210 -2.002 57 HD12 LEU 343 HD12 LEU 343 30.461 0.246 -0.408 58 HD13 LEU 343 HD13 LEU 343 32.118 0.619 -0.873 59 HD21 LEU 343 HD21 LEU 343 29.039 1.535 -3.167 60 HD22 LEU 343 HD22 LEU 343 30.576 0.827 -3.660 61 HD23 LEU 343 HD23 LEU 343 30.317 2.565 -3.811 62 H SER 344 HN SER 344 32.752 3.112 0.281 63 HA SER 344 HA SER 344 32.858 0.611 1.786 64 HG SER 344 HG SER 344 35.186 -0.401 0.086 65 HB2 SER 344 HB2 SER 344 34.737 2.166 0.092 66 HB3 SER 344 HB1 SER 344 35.444 1.218 1.396 67 H ALA 345 HN ALA 345 32.538 3.757 2.571 68 HA ALA 345 HA ALA 345 34.194 3.515 5.014 69 HB1 ALA 345 HB1 ALA 345 33.383 5.965 3.439 70 HB2 ALA 345 HB2 ALA 345 35.014 5.339 3.676 71 HB3 ALA 345 HB3 ALA 345 34.128 6.029 5.036 72 H GLU 346 HN GLU 346 31.172 3.041 4.065 73 HA GLU 346 HA GLU 346 30.071 3.938 6.634 74 HB2 GLU 346 HB2 GLU 346 28.013 4.753 5.474 75 HB3 GLU 346 HB1 GLU 346 29.444 5.724 5.126 76 HG2 GLU 346 HG2 GLU 346 29.307 5.254 2.931 77 HG3 GLU 346 HG1 GLU 346 29.245 3.524 3.260 78 H LEU 347 HN LEU 347 30.533 1.499 6.719 79 HA LEU 347 HA LEU 347 28.031 0.117 6.053 80 HG LEU 347 HG LEU 347 31.481 -0.444 6.412 81 HB2 LEU 347 HB2 LEU 347 29.337 -1.888 5.337 82 HB3 LEU 347 HB1 LEU 347 29.528 -0.508 4.254 83 HD11 LEU 347 HD11 LEU 347 32.802 -2.383 5.670 84 HD12 LEU 347 HD12 LEU 347 31.522 -2.832 4.542 85 HD13 LEU 347 HD13 LEU 347 31.232 -2.903 6.280 86 HD21 LEU 347 HD21 LEU 347 31.705 -0.632 3.393 87 HD22 LEU 347 HD22 LEU 347 33.014 -0.189 4.488 88 HD23 LEU 347 HD23 LEU 347 31.607 0.863 4.324 89 H PHE 348 HN PHE 348 29.966 1.112 8.376 90 HA PHE 348 HA PHE 348 29.330 -1.152 10.150 91 HD1 PHE 348 HD1 PHE 348 31.760 1.125 8.104 92 HD2 PHE 348 HD2 PHE 348 32.868 0.474 12.203 93 HE1 PHE 348 HE1 PHE 348 33.089 3.201 8.065 94 HE2 PHE 348 HE2 PHE 348 34.209 2.558 12.165 95 HZ PHE 348 HZ PHE 348 34.323 3.924 10.098 96 HB2 PHE 348 HB2 PHE 348 31.530 -1.108 11.130 97 HB3 PHE 348 HB1 PHE 348 31.732 -1.266 9.385 98 H HIS 349 HN HIS 349 29.833 2.226 9.590 99 HA HIS 349 HA HIS 349 29.987 3.343 12.087 100 HD2 HIS 349 HD2 HIS 349 28.313 3.101 7.934 101 HE1 HIS 349 HE1 HIS 349 24.745 5.100 8.980 102 HE2 HIS 349 HE2 HIS 349 25.845 3.606 7.247 103 HB2 HIS 349 HB2 HIS 349 28.980 5.312 11.160 104 HB3 HIS 349 HB1 HIS 349 29.931 4.555 9.884 105 H LEU 350 HN LEU 350 27.014 2.279 10.439 106 HA LEU 350 HA LEU 350 25.037 3.033 12.106 107 HG LEU 350 HG LEU 350 25.631 2.042 9.344 108 HB2 LEU 350 HB2 LEU 350 24.785 0.172 11.565 109 HB3 LEU 350 HB1 LEU 350 23.788 1.511 11.004 110 HD11 LEU 350 HD11 LEU 350 27.007 0.099 10.830 111 HD12 LEU 350 HD12 LEU 350 27.521 0.819 9.305 112 HD13 LEU 350 HD13 LEU 350 26.614 -0.690 9.303 113 HD21 LEU 350 HD21 LEU 350 23.855 1.061 8.265 114 HD22 LEU 350 HD22 LEU 350 23.836 -0.333 9.345 115 HD23 LEU 350 HD23 LEU 350 25.030 -0.236 8.050 116 H SER 351 HN SER 351 27.047 0.122 12.641 117 HA SER 351 HA SER 351 25.915 -0.634 15.081 118 HG SER 351 HG SER 351 27.623 -3.260 14.047 119 HB2 SER 351 HB2 SER 351 28.669 -1.045 13.935 120 HB3 SER 351 HB1 SER 351 28.181 -1.732 15.482 121 H GLY 352 HN GLY 352 25.594 1.586 16.023 122 HA2 GLY 352 HA2 GLY 352 26.722 2.141 18.321 123 HA3 GLY 352 HA1 GLY 352 28.013 2.713 17.262 124 H ILE 353 HN ILE 353 26.400 3.617 15.170 125 HA ILE 353 HA ILE 353 25.412 6.126 16.308 126 HB ILE 353 HB ILE 353 26.210 5.204 13.558 127 HG12 ILE 353 HG12 ILE 353 27.162 7.740 14.767 128 HG13 ILE 353 HG11 ILE 353 27.664 6.270 15.602 129 HG21 ILE 353 HG21 ILE 353 24.457 6.538 12.886 130 HG22 ILE 353 HG22 ILE 353 25.675 7.789 13.125 131 HG23 ILE 353 HG23 ILE 353 24.466 7.488 14.372 132 HD11 ILE 353 HD11 ILE 353 29.303 6.900 13.871 133 HD12 ILE 353 HD12 ILE 353 28.036 6.832 12.647 134 HD13 ILE 353 HD13 ILE 353 28.537 5.360 13.482 135 H MET 354 HN MET 354 24.409 3.225 14.739 136 HA MET 354 HA MET 354 21.897 4.008 13.734 137 HB2 MET 354 HB2 MET 354 21.475 1.707 13.405 138 HB3 MET 354 HB1 MET 354 23.207 1.915 13.172 139 HG2 MET 354 HG2 MET 354 23.402 1.372 15.699 140 HG3 MET 354 HG1 MET 354 21.765 0.736 15.534 141 HE1 MET 354 HE1 MET 354 21.186 -1.538 14.702 142 HE2 MET 354 HE2 MET 354 22.180 -1.554 16.156 143 HE3 MET 354 HE3 MET 354 22.477 -2.734 14.883 144 H ALA 355 HN ALA 355 22.971 2.770 16.839 145 HA ALA 355 HA ALA 355 20.388 2.263 17.924 146 HB1 ALA 355 HB1 ALA 355 21.753 1.175 19.332 147 HB2 ALA 355 HB2 ALA 355 22.141 2.739 20.050 148 HB3 ALA 355 HB3 ALA 355 23.155 2.081 18.762 149 H LEU 356 HN LEU 356 21.968 5.092 17.160 150 HA LEU 356 HA LEU 356 20.327 6.626 19.086 151 HG LEU 356 HG LEU 356 23.549 6.044 17.617 152 HB2 LEU 356 HB2 LEU 356 22.455 8.251 18.196 153 HB3 LEU 356 HB1 LEU 356 22.201 7.618 19.819 154 HD11 LEU 356 HD11 LEU 356 25.619 6.620 19.122 155 HD12 LEU 356 HD12 LEU 356 24.638 7.997 19.622 156 HD13 LEU 356 HD13 LEU 356 25.068 7.792 17.924 157 HD21 LEU 356 HD21 LEU 356 22.569 5.362 20.197 158 HD22 LEU 356 HD22 LEU 356 24.326 5.403 20.316 159 HD23 LEU 356 HD23 LEU 356 23.549 4.365 19.122 160 H ILE 357 HN ILE 357 21.221 5.949 15.858 161 HA ILE 357 HA ILE 357 20.906 8.144 14.354 162 HB ILE 357 HB ILE 357 20.034 5.346 14.057 163 HG12 ILE 357 HG12 ILE 357 22.177 6.234 13.200 164 HG13 ILE 357 HG11 ILE 357 21.193 5.562 11.910 165 HG21 ILE 357 HG21 ILE 357 18.801 5.836 11.908 166 HG22 ILE 357 HG22 ILE 357 18.696 7.517 12.422 167 HG23 ILE 357 HG23 ILE 357 17.917 6.247 13.375 168 HD11 ILE 357 HD11 ILE 357 21.427 7.521 10.830 169 HD12 ILE 357 HD12 ILE 357 22.208 8.247 12.233 170 HD13 ILE 357 HD13 ILE 357 20.456 8.279 12.090 171 H ALA 358 HN ALA 358 18.272 6.529 16.067 172 HA ALA 358 HA ALA 358 16.391 8.609 15.208 173 HB1 ALA 358 HB1 ALA 358 15.753 6.276 17.001 174 HB2 ALA 358 HB2 ALA 358 15.856 6.094 15.249 175 HB3 ALA 358 HB3 ALA 358 14.666 7.189 15.955 176 H SER 359 HN SER 359 18.290 7.672 17.948 177 HA SER 359 HA SER 359 16.738 9.302 19.807 178 HG SER 359 HG SER 359 16.753 7.908 21.668 179 HB2 SER 359 HB2 SER 359 18.174 7.037 20.184 180 HB3 SER 359 HB1 SER 359 19.375 8.246 20.630 181 H GLY 360 HN GLY 360 20.129 9.207 18.683 182 HA2 GLY 360 HA2 GLY 360 20.414 12.031 19.463 183 HA3 GLY 360 HA1 GLY 360 21.738 10.912 19.154 184 H VAL 361 HN VAL 361 19.286 12.937 17.690 185 HA VAL 361 HA VAL 361 20.916 13.447 15.405 186 HB VAL 361 HB VAL 361 19.697 11.106 15.107 187 HG11 VAL 361 HG11 VAL 361 17.532 11.235 14.148 188 HG12 VAL 361 HG12 VAL 361 17.639 12.979 13.923 189 HG13 VAL 361 HG13 VAL 361 17.451 12.307 15.544 190 HG21 VAL 361 HG21 VAL 361 20.178 13.342 13.155 191 HG22 VAL 361 HG22 VAL 361 19.458 11.837 12.585 192 HG23 VAL 361 HG23 VAL 361 21.051 11.821 13.342 193 H VAL 362 HN VAL 362 18.407 14.070 17.498 194 HA VAL 362 HA VAL 362 16.905 15.897 15.832 195 HB VAL 362 HB VAL 362 16.779 15.883 18.824 196 HG11 VAL 362 HG11 VAL 362 14.384 16.233 18.347 197 HG12 VAL 362 HG12 VAL 362 14.700 16.062 16.621 198 HG13 VAL 362 HG13 VAL 362 15.368 17.432 17.508 199 HG21 VAL 362 HG21 VAL 362 15.146 13.948 18.571 200 HG22 VAL 362 HG22 VAL 362 16.845 13.529 18.346 201 HG23 VAL 362 HG23 VAL 362 15.790 13.722 16.945 202 H MET 363 HN MET 363 19.824 16.291 16.234 203 HA MET 363 HA MET 363 19.841 18.884 17.633 204 HB2 MET 363 HB2 MET 363 22.062 17.028 16.768 205 HB3 MET 363 HB1 MET 363 22.337 18.632 17.450 206 HG2 MET 363 HG2 MET 363 20.470 16.942 18.993 207 HG3 MET 363 HG1 MET 363 22.130 16.347 18.943 208 HE1 MET 363 HE1 MET 363 23.728 17.060 20.898 209 HE2 MET 363 HE2 MET 363 24.277 18.724 20.707 210 HE3 MET 363 HE3 MET 363 24.120 17.688 19.290 211 H ARG 364 HN ARG 364 22.463 18.676 15.646 212 HA ARG 364 HA ARG 364 21.180 19.801 13.275 213 HE ARG 364 HE ARG 364 21.495 23.940 14.620 214 HB2 ARG 364 HB2 ARG 364 21.700 21.654 14.995 215 HB3 ARG 364 HB1 ARG 364 23.392 21.354 14.599 216 HG2 ARG 364 HG2 ARG 364 23.001 22.894 12.958 217 HG3 ARG 364 HG1 ARG 364 22.337 21.500 12.102 218 HD2 ARG 364 HD2 ARG 364 20.751 23.380 12.052 219 HD3 ARG 364 HD1 ARG 364 20.092 22.032 12.975 220 HH11 ARG 364 HH21 ARG 364 18.527 23.156 13.023 221 HH12 ARG 364 HH22 ARG 364 17.541 24.082 14.104 222 HH21 ARG 364 HH11 ARG 364 20.208 25.157 16.041 223 HH22 ARG 364 HH12 ARG 364 18.492 25.216 15.812 224 HA PRO 365 HA PRO 365 24.964 17.316 12.387 225 HB2 PRO 365 HB2 PRO 365 23.784 15.396 10.875 226 HB3 PRO 365 HB1 PRO 365 23.834 15.320 12.646 227 HG2 PRO 365 HG2 PRO 365 21.591 16.020 10.850 228 HG3 PRO 365 HG1 PRO 365 21.571 15.223 12.428 229 HD2 PRO 365 HD2 PRO 365 20.983 17.925 11.937 230 HD3 PRO 365 HD1 PRO 365 21.313 17.203 13.526 231 H LYS 366 HN LYS 366 22.318 18.378 10.326 232 HA LYS 366 HA LYS 366 22.246 18.833 8.040 233 HB2 LYS 366 HB2 LYS 366 23.976 20.741 7.604 234 HB3 LYS 366 HB1 LYS 366 22.648 20.993 8.734 235 HG2 LYS 366 HG2 LYS 366 24.113 20.446 10.621 236 HG3 LYS 366 HG1 LYS 366 25.446 20.123 9.509 237 HD2 LYS 366 HD2 LYS 366 25.570 22.392 8.829 238 HD3 LYS 366 HD1 LYS 366 24.003 22.768 9.546 239 HE2 LYS 366 HE2 LYS 366 25.773 23.629 10.993 240 HE3 LYS 366 HE1 LYS 366 24.960 22.290 11.801 241 HZ1 LYS 366 HZ1 LYS 366 27.068 21.586 12.070 242 HZ2 LYS 366 HZ2 LYS 366 27.660 22.455 10.735 243 HZ3 LYS 366 HZ3 LYS 366 26.856 20.977 10.501 244 H LYS 367 HN LYS 367 23.200 16.509 7.772 245 HA LYS 367 HA LYS 367 24.629 15.086 6.660 246 HB2 LYS 367 HB2 LYS 367 25.075 17.579 5.000 247 HB3 LYS 367 HB1 LYS 367 25.441 15.927 4.502 248 HG2 LYS 367 HG2 LYS 367 23.330 15.741 3.747 249 HG3 LYS 367 HG1 LYS 367 22.768 15.886 5.413 250 HD2 LYS 367 HD2 LYS 367 21.680 17.611 4.109 251 HD3 LYS 367 HD1 LYS 367 22.871 18.388 5.153 252 HE2 LYS 367 HE2 LYS 367 24.255 17.686 2.795 253 HE3 LYS 367 HE1 LYS 367 22.725 18.386 2.269 254 HZ1 LYS 367 HZ1 LYS 367 23.629 19.948 4.366 255 HZ2 LYS 367 HZ2 LYS 367 23.570 20.365 2.721 256 HZ3 LYS 367 HZ3 LYS 367 24.980 19.679 3.376 257 H1 ACE 336 HA2 ACE 336 38.296 10.872 -8.093 258 H2 ACE 336 HA3 ACE 336 36.708 10.205 -8.475 259 H3 ACE 336 HA1 ACE 336 38.155 9.217 -8.687 260 HN1 NH2 368 HN1 NH2 368 26.827 17.540 5.565 261 HN2 NH2 368 HN2 NH2 368 28.077 17.193 6.659
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