NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
528075 | 2lhu | 17867 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLU 315 1H GLU 315 -0.500 -0.433 -0.750 2 HA GLU 315 HA GLU 315 1.828 -0.476 0.909 3 HB2 GLU 315 1HB GLU 315 1.565 -0.309 -2.097 4 HB3 GLU 315 2HB GLU 315 3.076 -0.641 -1.216 5 HG2 GLU 315 1HG GLU 315 2.034 -2.780 -0.320 6 HG3 GLU 315 2HG GLU 315 0.575 -2.278 -1.204 7 H ASP 316 H ASP 316 0.377 2.066 -1.006 8 HA ASP 316 HA ASP 316 2.750 3.792 -0.836 9 HB2 ASP 316 1HB ASP 316 0.687 3.773 -2.644 10 HB3 ASP 316 2HB ASP 316 0.068 4.793 -1.322 11 H VAL 317 H VAL 317 2.467 6.056 -0.010 12 HA VAL 317 HA VAL 317 1.977 5.929 2.851 13 HB VAL 317 HB VAL 317 2.374 8.303 0.982 14 HG11 VAL 317 1HG1 VAL 317 2.848 9.572 3.050 15 HG12 VAL 317 2HG1 VAL 317 1.183 8.944 3.051 16 HG13 VAL 317 3HG1 VAL 317 2.439 8.140 4.023 17 HG21 VAL 317 3HG2 VAL 317 4.290 6.823 1.037 18 HG22 VAL 317 1HG2 VAL 317 4.643 8.346 1.885 19 HG23 VAL 317 2HG2 VAL 317 4.299 6.869 2.816 20 H TRP 318 H TRP 318 0.192 7.545 0.219 21 HA TRP 318 HA TRP 318 -1.949 8.496 1.825 22 HB2 TRP 318 1HB TRP 318 -1.596 9.138 -0.560 23 HB3 TRP 318 2HB TRP 318 -2.074 7.497 -1.054 24 HD1 TRP 318 HD1 TRP 318 -3.393 10.693 0.255 25 HE1 TRP 318 HE1 TRP 318 -6.079 10.754 -0.041 26 HE3 TRP 318 HE3 TRP 318 -4.079 5.871 -1.200 27 HZ2 TRP 318 HZ2 TRP 318 -8.016 8.932 -0.792 28 HZ3 TRP 318 HZ3 TRP 318 -6.301 5.056 -1.692 29 HH2 TRP 318 HH2 TRP 318 -8.274 6.509 -1.514 30 H GLU 319 H GLU 319 -1.471 5.328 0.295 31 HA GLU 319 HA GLU 319 -4.103 4.337 0.961 32 HB2 GLU 319 1HB GLU 319 -1.495 2.958 0.316 33 HB3 GLU 319 2HB GLU 319 -3.039 2.108 0.564 34 HG2 GLU 319 1HG GLU 319 -4.001 3.191 -1.455 35 HG3 GLU 319 2HG GLU 319 -2.572 4.251 -1.460 36 H ILE 320 H ILE 320 -0.936 4.068 2.558 37 HA ILE 320 HA ILE 320 -1.945 2.325 4.669 38 HB ILE 320 HB ILE 320 0.574 4.025 4.412 39 HG12 ILE 320 1HG1 ILE 320 0.249 1.040 4.367 40 HG13 ILE 320 2HG1 ILE 320 0.265 2.066 2.914 41 HG21 ILE 320 1HG2 ILE 320 1.391 2.811 6.405 42 HG22 ILE 320 2HG2 ILE 320 -0.054 3.774 6.790 43 HG23 ILE 320 3HG2 ILE 320 -0.191 2.014 6.568 44 HD11 ILE 320 3HD1 ILE 320 2.520 1.809 4.934 45 HD12 ILE 320 1HD1 ILE 320 2.479 1.065 3.320 46 HD13 ILE 320 2HD1 ILE 320 2.535 2.837 3.482 47 H LEU 321 H LEU 321 -1.495 5.811 4.359 48 HA LEU 321 HA LEU 321 -1.858 6.490 7.084 49 HB2 LEU 321 1HB LEU 321 -2.030 7.666 4.505 50 HB3 LEU 321 2HB LEU 321 -3.110 8.552 5.606 51 HG LEU 321 HG LEU 321 -1.308 9.176 7.032 52 HD11 LEU 321 1HD1 LEU 321 1.033 8.350 6.667 53 HD12 LEU 321 2HD1 LEU 321 -0.085 7.003 6.986 54 HD13 LEU 321 3HD1 LEU 321 0.451 7.340 5.323 55 HD21 LEU 321 3HD2 LEU 321 -1.499 10.526 5.028 56 HD22 LEU 321 1HD2 LEU 321 0.208 10.406 5.518 57 HD23 LEU 321 2HD2 LEU 321 -0.397 9.436 4.153 58 H ARG 322 H ARG 322 -4.198 5.514 4.673 59 HA ARG 322 HA ARG 322 -6.569 6.496 5.870 60 HB2 ARG 322 1HB ARG 322 -6.519 5.562 3.678 61 HB3 ARG 322 2HB ARG 322 -6.183 3.952 4.357 62 HG2 ARG 322 1HG ARG 322 -8.351 3.929 5.462 63 HG3 ARG 322 2HG ARG 322 -8.685 5.582 4.892 64 HD2 ARG 322 1HD ARG 322 -8.725 4.814 2.620 65 HD3 ARG 322 2HD ARG 322 -8.316 3.165 3.150 66 HE ARG 322 HE ARG 322 -10.850 3.906 4.362 67 HH11 ARG 322 1HH1 ARG 322 -9.542 3.210 1.205 68 HH12 ARG 322 2HH1 ARG 322 -11.103 2.607 0.685 69 HH21 ARG 322 1HH2 ARG 322 -12.646 3.226 3.779 70 HH22 ARG 322 2HH2 ARG 322 -12.874 2.616 2.151 71 H GLN 323 H GLN 323 -4.695 3.582 6.619 72 HA GLN 323 HA GLN 323 -6.683 2.978 8.781 73 HB2 GLN 323 1HB GLN 323 -4.758 1.178 7.293 74 HB3 GLN 323 2HB GLN 323 -5.787 0.678 8.656 75 HG2 GLN 323 1HG GLN 323 -7.888 1.268 7.028 76 HG3 GLN 323 2HG GLN 323 -6.471 1.673 6.032 77 HE21 GLN 323 2HE2 GLN 323 -8.093 0.030 4.825 78 HE22 GLN 323 1HE2 GLN 323 -7.554 -1.616 4.875 79 H ALA 324 H ALA 324 -3.599 4.162 8.211 80 HA ALA 324 HA ALA 324 -2.344 2.964 10.572 81 HB1 ALA 324 3HB ALA 324 -1.448 5.240 8.770 82 HB2 ALA 324 1HB ALA 324 -0.462 4.458 10.027 83 HB3 ALA 324 2HB ALA 324 -0.990 3.528 8.605 84 HA PRO 325 HA PRO 325 -3.538 6.087 13.484 85 HB2 PRO 325 1HB PRO 325 -1.483 5.848 15.289 86 HB3 PRO 325 2HB PRO 325 -2.688 4.561 15.141 87 HG2 PRO 325 1HG PRO 325 0.094 4.717 13.933 88 HG3 PRO 325 2HG PRO 325 -0.685 3.358 14.754 89 HD2 PRO 325 1HD PRO 325 -0.593 3.529 12.010 90 HD3 PRO 325 2HD PRO 325 -1.947 2.755 12.843 91 HA PRO 326 HA PRO 326 -1.625 9.702 12.204 92 HB2 PRO 326 1HB PRO 326 -2.114 11.341 14.409 93 HB3 PRO 326 2HB PRO 326 -3.396 10.881 13.280 94 HG2 PRO 326 1HG PRO 326 -2.690 9.657 15.966 95 HG3 PRO 326 2HG PRO 326 -4.283 10.067 15.315 96 HD2 PRO 326 1HD PRO 326 -3.397 7.500 15.247 97 HD3 PRO 326 2HD PRO 326 -4.349 8.143 13.903 98 H SER 327 H SER 327 -0.542 8.100 15.060 99 HA SER 327 HA SER 327 1.723 9.872 15.665 100 HB2 SER 327 1HB SER 327 2.395 8.296 17.171 101 HB3 SER 327 2HB SER 327 0.637 8.534 17.304 102 HG SER 327 HG SER 327 1.243 6.327 17.380 103 H GLU 328 H GLU 328 1.059 7.351 13.351 104 HA GLU 328 HA GLU 328 3.996 6.907 12.925 105 HB2 GLU 328 1HB GLU 328 1.602 5.188 12.259 106 HB3 GLU 328 2HB GLU 328 3.281 4.835 11.780 107 HG2 GLU 328 1HG GLU 328 3.882 4.696 14.269 108 HG3 GLU 328 2HG GLU 328 2.157 5.033 14.542 109 H TYR 329 H TYR 329 1.776 8.888 11.822 110 HA TYR 329 HA TYR 329 1.710 8.397 8.984 111 HB2 TYR 329 1HB TYR 329 1.273 10.797 10.740 112 HB3 TYR 329 2HB TYR 329 1.299 10.947 8.966 113 HD1 TYR 329 HD1 TYR 329 0.086 7.784 9.425 114 HD2 TYR 329 HD2 TYR 329 -1.128 11.824 10.047 115 HE1 TYR 329 HE1 TYR 329 -2.286 7.078 9.329 116 HE2 TYR 329 HE2 TYR 329 -3.501 11.137 9.955 117 HH TYR 329 HH TYR 329 -4.515 7.992 8.932 118 H GLU 330 H GLU 330 3.992 10.075 11.083 119 HA GLU 330 HA GLU 330 5.591 11.103 8.868 120 HB2 GLU 330 1HB GLU 330 6.139 10.694 11.809 121 HB3 GLU 330 2HB GLU 330 7.305 11.409 10.668 122 HG2 GLU 330 1HG GLU 330 5.686 13.308 10.243 123 HG3 GLU 330 2HG GLU 330 4.570 12.429 11.312 124 H ARG 331 H ARG 331 5.603 8.183 10.849 125 HA ARG 331 HA ARG 331 8.190 7.255 9.942 126 HB2 ARG 331 1HB ARG 331 5.897 5.865 11.237 127 HB3 ARG 331 2HB ARG 331 7.395 5.049 10.735 128 HG2 ARG 331 1HG ARG 331 8.692 6.533 12.210 129 HG3 ARG 331 2HG ARG 331 7.187 7.336 12.719 130 HD2 ARG 331 1HD ARG 331 6.410 5.309 13.724 131 HD3 ARG 331 2HD ARG 331 7.852 4.441 13.146 132 HE ARG 331 HE ARG 331 8.722 6.563 14.929 133 HH11 ARG 331 1HH1 ARG 331 6.980 3.546 15.074 134 HH12 ARG 331 2HH1 ARG 331 7.544 3.293 16.714 135 HH21 ARG 331 1HH2 ARG 331 9.369 6.292 16.809 136 HH22 ARG 331 2HH2 ARG 331 8.906 4.858 17.705 137 H ILE 332 H ILE 332 4.896 6.881 8.741 138 HA ILE 332 HA ILE 332 5.698 4.978 6.645 139 HB ILE 332 HB ILE 332 3.172 6.648 7.039 140 HG12 ILE 332 1HG1 ILE 332 3.466 5.027 8.764 141 HG13 ILE 332 2HG1 ILE 332 2.132 4.572 7.679 142 HG21 ILE 332 1HG2 ILE 332 2.187 5.185 5.307 143 HG22 ILE 332 2HG2 ILE 332 3.559 6.112 4.657 144 HG23 ILE 332 3HG2 ILE 332 3.764 4.395 5.076 145 HD11 ILE 332 3HD1 ILE 332 4.930 3.389 7.650 146 HD12 ILE 332 1HD1 ILE 332 3.476 2.606 8.309 147 HD13 ILE 332 2HD1 ILE 332 3.596 2.934 6.564 148 H ALA 333 H ALA 333 4.898 8.442 6.736 149 HA ALA 333 HA ALA 333 5.226 8.896 3.960 150 HB1 ALA 333 3HB ALA 333 5.794 10.772 6.281 151 HB2 ALA 333 1HB ALA 333 5.585 11.254 4.581 152 HB3 ALA 333 2HB ALA 333 4.223 10.542 5.478 153 H PHE 334 H PHE 334 7.623 9.137 6.596 154 HA PHE 334 HA PHE 334 9.741 10.069 4.870 155 HB2 PHE 334 1HB PHE 334 9.805 8.745 7.616 156 HB3 PHE 334 2HB PHE 334 11.214 9.471 6.809 157 HD1 PHE 334 HD1 PHE 334 8.962 11.616 5.680 158 HD2 PHE 334 HD2 PHE 334 10.530 10.340 9.443 159 HE1 PHE 334 HE1 PHE 334 8.393 13.814 6.660 160 HE2 PHE 334 HE2 PHE 334 9.961 12.535 10.428 161 HZ PHE 334 HZ PHE 334 8.894 14.273 9.035 162 H GLN 335 H GLN 335 8.554 6.889 5.719 163 HA GLN 335 HA GLN 335 10.867 5.401 4.883 164 HB2 GLN 335 1HB GLN 335 8.965 4.529 6.236 165 HB3 GLN 335 2HB GLN 335 7.951 4.605 4.776 166 HG2 GLN 335 1HG GLN 335 8.814 2.161 4.864 167 HG3 GLN 335 2HG GLN 335 9.521 3.293 3.688 168 HE21 GLN 335 2HE2 GLN 335 11.379 1.981 3.492 169 HE22 GLN 335 1HE2 GLN 335 12.592 1.938 4.728 170 H HIS 336 H HIS 336 8.242 6.893 3.119 171 HA HIS 336 HA HIS 336 9.131 5.512 0.624 172 HB2 HIS 336 1HB HIS 336 6.611 7.096 1.292 173 HB3 HIS 336 2HB HIS 336 7.006 6.480 -0.331 174 HD2 HIS 336 HD2 HIS 336 6.480 3.673 -0.716 175 HE1 HIS 336 HE1 HIS 336 5.016 3.121 3.233 176 H GLY 337 H GLY 337 9.936 8.187 2.297 177 HA2 GLY 337 1HA GLY 337 11.395 9.871 1.571 178 HA3 GLY 337 2HA GLY 337 11.079 9.402 -0.116 179 H VAL 338 H VAL 338 8.362 9.895 1.979 180 HA VAL 338 HA VAL 338 7.655 12.405 0.504 181 HB VAL 338 HB VAL 338 6.013 10.631 2.361 182 HG11 VAL 338 1HG1 VAL 338 4.104 11.986 1.563 183 HG12 VAL 338 2HG1 VAL 338 5.304 12.999 2.400 184 HG13 VAL 338 3HG1 VAL 338 5.220 13.003 0.622 185 HG21 VAL 338 3HG2 VAL 338 6.531 9.505 0.279 186 HG22 VAL 338 1HG2 VAL 338 4.814 9.966 0.338 187 HG23 VAL 338 2HG2 VAL 338 5.956 10.911 -0.647 188 H THR 339 H THR 339 8.123 14.263 1.258 189 HA THR 339 HA THR 339 8.572 14.535 4.200 190 HB THR 339 HB THR 339 9.711 16.647 3.635 191 HG1 THR 339 HG1 THR 339 10.016 17.125 1.379 192 HG21 THR 339 1HG2 THR 339 11.642 15.703 2.417 193 HG22 THR 339 2HG2 THR 339 11.030 14.557 3.634 194 HG23 THR 339 3HG2 THR 339 10.646 14.316 1.913 195 H ASP 340 H ASP 340 6.535 15.607 1.574 196 HA ASP 340 HA ASP 340 5.224 17.648 3.262 197 HB2 ASP 340 1HB ASP 340 5.524 17.851 0.663 198 HB3 ASP 340 2HB ASP 340 4.371 16.494 0.690 199 H LEU 341 H LEU 341 4.795 16.010 4.952 200 HA LEU 341 HA LEU 341 2.753 14.016 4.520 201 HB2 LEU 341 1HB LEU 341 4.242 13.922 6.264 202 HB3 LEU 341 2HB LEU 341 3.729 15.427 7.061 203 HG LEU 341 HG LEU 341 1.477 14.402 7.428 204 HD11 LEU 341 1HD1 LEU 341 1.279 11.912 7.188 205 HD12 LEU 341 2HD1 LEU 341 1.597 12.689 5.620 206 HD13 LEU 341 3HD1 LEU 341 2.914 11.865 6.488 207 HD21 LEU 341 3HD2 LEU 341 3.122 14.432 9.209 208 HD22 LEU 341 1HD2 LEU 341 2.174 12.928 9.284 209 HD23 LEU 341 2HD2 LEU 341 3.827 12.907 8.624 210 H ARG 342 H ARG 342 2.658 17.424 5.455 211 HA ARG 342 HA ARG 342 -0.098 17.511 6.209 212 HB2 ARG 342 1HB ARG 342 1.715 19.622 5.141 213 HB3 ARG 342 2HB ARG 342 0.029 19.903 5.637 214 HG2 ARG 342 1HG ARG 342 0.552 19.184 7.910 215 HG3 ARG 342 2HG ARG 342 2.227 18.821 7.427 216 HD2 ARG 342 1HD ARG 342 2.582 21.172 6.942 217 HD3 ARG 342 2HD ARG 342 0.917 21.521 7.465 218 HE ARG 342 HE ARG 342 2.280 20.350 9.721 219 HH11 ARG 342 1HH1 ARG 342 2.549 23.225 7.766 220 HH12 ARG 342 2HH1 ARG 342 3.181 24.108 9.141 221 HH21 ARG 342 1HH2 ARG 342 3.012 21.346 11.303 222 HH22 ARG 342 2HH2 ARG 342 3.447 23.038 11.158 223 H GLY 343 H GLY 343 1.459 18.061 3.050 224 HA2 GLY 343 1HA GLY 343 -0.971 18.565 1.627 225 HA3 GLY 343 2HA GLY 343 0.565 18.012 0.919 226 H MET 344 H MET 344 0.828 15.587 2.369 227 HA MET 344 HA MET 344 -0.824 13.807 0.821 228 HB2 MET 344 1HB MET 344 1.415 13.283 1.728 229 HB3 MET 344 2HB MET 344 0.715 13.276 3.364 230 HG2 MET 344 1HG MET 344 0.949 10.997 2.593 231 HG3 MET 344 2HG MET 344 -0.777 11.419 2.685 232 HE1 MET 344 3HE MET 344 2.208 10.359 0.461 233 HE2 MET 344 1HE MET 344 1.687 10.807 -1.181 234 HE3 MET 344 2HE MET 344 2.092 12.076 0.001 235 H LEU 345 H LEU 345 -1.126 15.146 4.068 236 HA LEU 345 HA LEU 345 -3.364 13.383 4.754 237 HB2 LEU 345 1HB LEU 345 -2.177 15.826 5.885 238 HB3 LEU 345 2HB LEU 345 -3.522 15.048 6.750 239 HG LEU 345 HG LEU 345 -0.764 13.878 6.216 240 HD11 LEU 345 1HD1 LEU 345 -0.581 13.904 8.718 241 HD12 LEU 345 2HD1 LEU 345 -0.844 15.541 8.072 242 HD13 LEU 345 3HD1 LEU 345 -2.194 14.648 8.813 243 HD21 LEU 345 3HD2 LEU 345 -2.463 12.158 6.026 244 HD22 LEU 345 1HD2 LEU 345 -1.531 11.929 7.525 245 HD23 LEU 345 2HD2 LEU 345 -3.163 12.637 7.591 246 H LYS 346 H LYS 346 -2.961 16.572 3.352 247 HA LYS 346 HA LYS 346 -5.774 17.257 3.380 248 HB2 LYS 346 1HB LYS 346 -3.456 18.039 1.616 249 HB3 LYS 346 2HB LYS 346 -5.107 18.663 1.389 250 HG2 LYS 346 1HG LYS 346 -5.056 19.637 3.646 251 HG3 LYS 346 2HG LYS 346 -3.411 19.003 3.886 252 HD2 LYS 346 1HD LYS 346 -2.623 20.362 1.976 253 HD3 LYS 346 2HD LYS 346 -4.266 21.018 1.780 254 HE2 LYS 346 1HE LYS 346 -4.165 21.974 4.034 255 HE3 LYS 346 2HE LYS 346 -2.535 21.299 4.256 256 HZ1 LYS 346 3HZ LYS 346 -3.296 23.311 2.237 257 HZ2 LYS 346 1HZ LYS 346 -2.460 23.615 3.626 258 HZ3 LYS 346 2HZ LYS 346 -1.784 22.684 2.443 259 H ARG 347 H ARG 347 -3.735 15.360 1.198 260 HA ARG 347 HA ARG 347 -5.938 14.811 -0.648 261 HB2 ARG 347 1HB ARG 347 -3.247 13.577 -0.306 262 HB3 ARG 347 2HB ARG 347 -4.462 13.032 -1.486 263 HG2 ARG 347 1HG ARG 347 -4.436 15.241 -2.548 264 HG3 ARG 347 2HG ARG 347 -3.241 15.807 -1.356 265 HD2 ARG 347 1HD ARG 347 -1.637 14.217 -2.197 266 HD3 ARG 347 2HD ARG 347 -2.832 13.621 -3.373 267 HE ARG 347 HE ARG 347 -2.442 16.391 -3.989 268 HH11 ARG 347 1HH1 ARG 347 -0.423 13.553 -3.831 269 HH12 ARG 347 2HH1 ARG 347 0.602 14.205 -5.094 270 HH21 ARG 347 1HH2 ARG 347 -1.273 17.155 -5.430 271 HH22 ARG 347 2HH2 ARG 347 0.120 16.260 -6.006 272 H LEU 348 H LEU 348 -4.716 13.418 2.314 273 HA LEU 348 HA LEU 348 -6.085 10.892 2.107 274 HB2 LEU 348 1HB LEU 348 -4.331 11.312 3.558 275 HB3 LEU 348 2HB LEU 348 -5.191 12.504 4.560 276 HG LEU 348 HG LEU 348 -6.863 10.670 5.098 277 HD11 LEU 348 1HD1 LEU 348 -6.052 8.316 4.794 278 HD12 LEU 348 2HD1 LEU 348 -6.253 9.138 3.229 279 HD13 LEU 348 3HD1 LEU 348 -4.627 8.935 3.926 280 HD21 LEU 348 3HD2 LEU 348 -5.190 11.393 6.698 281 HD22 LEU 348 1HD2 LEU 348 -5.425 9.633 6.819 282 HD23 LEU 348 2HD2 LEU 348 -3.991 10.284 5.989 283 H LYS 349 H LYS 349 -7.009 13.956 3.690 284 HA LYS 349 HA LYS 349 -9.718 12.863 4.188 285 HB2 LYS 349 1HB LYS 349 -8.550 14.175 5.908 286 HB3 LYS 349 2HB LYS 349 -8.506 15.564 4.796 287 HG2 LYS 349 1HG LYS 349 -10.953 15.673 4.805 288 HG3 LYS 349 2HG LYS 349 -11.025 14.251 5.873 289 HD2 LYS 349 1HD LYS 349 -9.814 15.493 7.617 290 HD3 LYS 349 2HD LYS 349 -9.726 16.913 6.548 291 HE2 LYS 349 1HE LYS 349 -12.169 17.060 6.518 292 HE3 LYS 349 2HE LYS 349 -12.280 15.616 7.550 293 HZ1 LYS 349 3HZ LYS 349 -11.033 18.178 8.315 294 HZ2 LYS 349 1HZ LYS 349 -12.506 17.639 8.824 295 HZ3 LYS 349 2HZ LYS 349 -11.134 16.838 9.272 Start of MODEL 2 1 H GLU 315 1H GLU 315 2.178 -1.046 -0.404 2 HA GLU 315 HA GLU 315 0.188 0.335 -1.922 3 HB2 GLU 315 1HB GLU 315 0.754 0.339 1.046 4 HB3 GLU 315 2HB GLU 315 -0.702 1.022 0.283 5 HG2 GLU 315 1HG GLU 315 -1.316 -1.301 -0.539 6 HG3 GLU 315 2HG GLU 315 0.213 -1.823 0.205 7 H ASP 316 H ASP 316 -0.583 2.514 -1.641 8 HA ASP 316 HA ASP 316 1.589 4.447 -1.947 9 HB2 ASP 316 1HB ASP 316 -1.468 4.805 -1.888 10 HB3 ASP 316 2HB ASP 316 -0.193 6.041 -2.014 11 H VAL 317 H VAL 317 1.744 6.444 -0.771 12 HA VAL 317 HA VAL 317 2.124 5.908 2.047 13 HB VAL 317 HB VAL 317 3.425 7.606 0.680 14 HG11 VAL 317 1HG1 VAL 317 2.411 9.847 0.427 15 HG12 VAL 317 2HG1 VAL 317 1.501 8.625 -0.492 16 HG13 VAL 317 3HG1 VAL 317 0.872 9.223 1.063 17 HG21 VAL 317 3HG2 VAL 317 3.543 7.550 3.099 18 HG22 VAL 317 1HG2 VAL 317 3.592 9.225 2.502 19 HG23 VAL 317 2HG2 VAL 317 2.095 8.578 3.212 20 H TRP 318 H TRP 318 -0.490 7.426 0.249 21 HA TRP 318 HA TRP 318 -1.797 8.343 2.720 22 HB2 TRP 318 1HB TRP 318 -3.602 9.073 1.187 23 HB3 TRP 318 2HB TRP 318 -2.016 9.645 0.618 24 HD1 TRP 318 HD1 TRP 318 -1.158 8.774 -1.542 25 HE1 TRP 318 HE1 TRP 318 -2.258 7.433 -3.615 26 HE3 TRP 318 HE3 TRP 318 -5.401 7.198 0.772 27 HZ2 TRP 318 HZ2 TRP 318 -4.579 5.985 -4.012 28 HZ3 TRP 318 HZ3 TRP 318 -7.019 5.867 -0.434 29 HH2 TRP 318 HH2 TRP 318 -6.672 5.236 -2.783 30 H GLU 319 H GLU 319 -1.848 5.528 0.678 31 HA GLU 319 HA GLU 319 -4.301 4.412 1.761 32 HB2 GLU 319 1HB GLU 319 -1.870 3.221 0.430 33 HB3 GLU 319 2HB GLU 319 -3.250 2.246 0.994 34 HG2 GLU 319 1HG GLU 319 -4.757 3.475 -0.613 35 HG3 GLU 319 2HG GLU 319 -3.342 4.487 -0.982 36 H ILE 320 H ILE 320 -0.947 4.481 2.805 37 HA ILE 320 HA ILE 320 -1.485 2.662 5.076 38 HB ILE 320 HB ILE 320 0.899 4.472 4.471 39 HG12 ILE 320 1HG1 ILE 320 0.640 2.826 2.768 40 HG13 ILE 320 2HG1 ILE 320 2.046 2.461 3.795 41 HG21 ILE 320 1HG2 ILE 320 2.063 3.093 6.159 42 HG22 ILE 320 2HG2 ILE 320 0.664 3.929 6.871 43 HG23 ILE 320 3HG2 ILE 320 0.555 2.200 6.469 44 HD11 ILE 320 3HD1 ILE 320 -0.670 1.104 3.949 45 HD12 ILE 320 1HD1 ILE 320 0.801 0.411 3.229 46 HD13 ILE 320 2HD1 ILE 320 0.737 0.741 4.977 47 H LEU 321 H LEU 321 -1.120 6.144 4.560 48 HA LEU 321 HA LEU 321 -1.295 6.881 7.316 49 HB2 LEU 321 1HB LEU 321 -2.096 8.148 4.786 50 HB3 LEU 321 2HB LEU 321 -2.193 9.106 6.282 51 HG LEU 321 HG LEU 321 0.351 7.871 5.161 52 HD11 LEU 321 1HD1 LEU 321 0.983 10.228 4.577 53 HD12 LEU 321 2HD1 LEU 321 -0.487 9.718 3.712 54 HD13 LEU 321 3HD1 LEU 321 -0.613 10.778 5.137 55 HD21 LEU 321 3HD2 LEU 321 0.377 8.111 7.574 56 HD22 LEU 321 1HD2 LEU 321 1.484 9.291 6.835 57 HD23 LEU 321 2HD2 LEU 321 -0.106 9.819 7.439 58 H ARG 322 H ARG 322 -3.763 6.037 4.959 59 HA ARG 322 HA ARG 322 -5.989 7.128 6.430 60 HB2 ARG 322 1HB ARG 322 -6.189 6.721 4.124 61 HB3 ARG 322 2HB ARG 322 -5.880 4.986 4.357 62 HG2 ARG 322 1HG ARG 322 -8.244 5.306 4.013 63 HG3 ARG 322 2HG ARG 322 -7.965 4.843 5.711 64 HD2 ARG 322 1HD ARG 322 -8.160 7.192 6.345 65 HD3 ARG 322 2HD ARG 322 -8.530 7.594 4.651 66 HE ARG 322 HE ARG 322 -10.805 6.738 5.069 67 HH11 ARG 322 1HH1 ARG 322 -8.704 5.796 7.689 68 HH12 ARG 322 2HH1 ARG 322 -10.094 5.294 8.630 69 HH21 ARG 322 1HH2 ARG 322 -12.405 6.160 6.132 70 HH22 ARG 322 2HH2 ARG 322 -12.205 5.500 7.744 71 H GLN 323 H GLN 323 -4.131 4.206 6.773 72 HA GLN 323 HA GLN 323 -6.334 2.979 8.385 73 HB2 GLN 323 1HB GLN 323 -3.901 1.751 7.069 74 HB3 GLN 323 2HB GLN 323 -5.111 0.874 8.036 75 HG2 GLN 323 1HG GLN 323 -6.885 1.550 6.097 76 HG3 GLN 323 2HG GLN 323 -5.383 2.340 5.560 77 HE21 GLN 323 2HE2 GLN 323 -4.166 1.268 4.143 78 HE22 GLN 323 1HE2 GLN 323 -4.241 -0.434 3.830 79 H ALA 324 H ALA 324 -2.959 3.961 8.448 80 HA ALA 324 HA ALA 324 -2.480 2.583 10.991 81 HB1 ALA 324 3HB ALA 324 -0.755 4.522 9.412 82 HB2 ALA 324 1HB ALA 324 -0.231 3.577 10.825 83 HB3 ALA 324 2HB ALA 324 -0.690 2.746 9.320 84 HA PRO 325 HA PRO 325 -3.466 5.756 13.842 85 HB2 PRO 325 1HB PRO 325 -0.761 5.265 15.120 86 HB3 PRO 325 2HB PRO 325 -2.367 5.142 15.852 87 HG2 PRO 325 1HG PRO 325 -1.003 2.917 15.277 88 HG3 PRO 325 2HG PRO 325 -2.747 2.973 14.987 89 HD2 PRO 325 1HD PRO 325 -0.473 3.258 12.971 90 HD3 PRO 325 2HD PRO 325 -1.985 2.353 12.814 91 HA PRO 326 HA PRO 326 -1.601 9.392 12.422 92 HB2 PRO 326 1HB PRO 326 -2.308 11.119 14.475 93 HB3 PRO 326 2HB PRO 326 -3.508 10.520 13.321 94 HG2 PRO 326 1HG PRO 326 -2.879 9.511 16.114 95 HG3 PRO 326 2HG PRO 326 -4.455 9.803 15.367 96 HD2 PRO 326 1HD PRO 326 -3.426 7.281 15.509 97 HD3 PRO 326 2HD PRO 326 -4.384 7.782 14.110 98 H SER 327 H SER 327 -0.670 7.907 15.379 99 HA SER 327 HA SER 327 1.562 9.694 16.046 100 HB2 SER 327 1HB SER 327 2.211 8.113 17.561 101 HB3 SER 327 2HB SER 327 0.451 8.344 17.654 102 HG SER 327 HG SER 327 1.841 6.193 16.437 103 H GLU 328 H GLU 328 0.984 7.314 13.609 104 HA GLU 328 HA GLU 328 3.890 6.647 13.391 105 HB2 GLU 328 1HB GLU 328 1.512 5.424 11.986 106 HB3 GLU 328 2HB GLU 328 3.194 4.841 11.964 107 HG2 GLU 328 1HG GLU 328 1.234 4.731 14.325 108 HG3 GLU 328 2HG GLU 328 2.010 3.448 13.369 109 H TYR 329 H TYR 329 1.850 8.944 12.260 110 HA TYR 329 HA TYR 329 2.024 8.686 9.417 111 HB2 TYR 329 1HB TYR 329 1.552 11.003 11.282 112 HB3 TYR 329 2HB TYR 329 1.630 11.215 9.515 113 HD1 TYR 329 HD1 TYR 329 0.342 8.034 10.024 114 HD2 TYR 329 HD2 TYR 329 -0.802 12.127 10.365 115 HE1 TYR 329 HE1 TYR 329 -2.040 7.376 9.840 116 HE2 TYR 329 HE2 TYR 329 -3.183 11.489 10.183 117 HH TYR 329 HH TYR 329 -4.229 8.357 9.235 118 H GLU 330 H GLU 330 4.249 10.006 11.779 119 HA GLU 330 HA GLU 330 5.825 11.584 9.973 120 HB2 GLU 330 1HB GLU 330 5.923 11.783 12.407 121 HB3 GLU 330 2HB GLU 330 6.610 10.144 12.512 122 HG2 GLU 330 1HG GLU 330 8.653 10.977 11.234 123 HG3 GLU 330 2HG GLU 330 7.810 12.542 11.187 124 H ARG 331 H ARG 331 6.235 8.223 11.105 125 HA ARG 331 HA ARG 331 8.609 7.863 9.428 126 HB2 ARG 331 1HB ARG 331 7.028 5.994 11.125 127 HB3 ARG 331 2HB ARG 331 8.393 5.495 10.099 128 HG2 ARG 331 1HG ARG 331 9.864 7.052 11.333 129 HG3 ARG 331 2HG ARG 331 8.495 7.490 12.383 130 HD2 ARG 331 1HD ARG 331 8.389 5.255 13.230 131 HD3 ARG 331 2HD ARG 331 9.685 4.748 12.122 132 HE ARG 331 HE ARG 331 10.776 6.783 13.868 133 HH11 ARG 331 1HH1 ARG 331 9.533 3.534 14.117 134 HH12 ARG 331 2HH1 ARG 331 10.595 3.227 15.478 135 HH21 ARG 331 1HH2 ARG 331 11.991 6.448 15.430 136 HH22 ARG 331 2HH2 ARG 331 11.995 4.888 16.227 137 H ILE 332 H ILE 332 5.174 7.247 9.147 138 HA ILE 332 HA ILE 332 5.286 5.491 6.863 139 HB ILE 332 HB ILE 332 3.193 7.507 7.788 140 HG12 ILE 332 1HG1 ILE 332 3.101 4.509 7.844 141 HG13 ILE 332 2HG1 ILE 332 3.726 5.497 9.185 142 HG21 ILE 332 1HG2 ILE 332 1.668 6.405 6.186 143 HG22 ILE 332 2HG2 ILE 332 3.036 7.170 5.344 144 HG23 ILE 332 3HG2 ILE 332 3.015 5.408 5.589 145 HD11 ILE 332 3HD1 ILE 332 0.916 5.629 8.036 146 HD12 ILE 332 1HD1 ILE 332 1.378 4.857 9.569 147 HD13 ILE 332 2HD1 ILE 332 1.541 6.619 9.377 148 H ALA 333 H ALA 333 5.095 9.039 7.061 149 HA ALA 333 HA ALA 333 5.289 9.502 4.265 150 HB1 ALA 333 3HB ALA 333 6.388 11.153 6.565 151 HB2 ALA 333 1HB ALA 333 6.166 11.718 4.894 152 HB3 ALA 333 2HB ALA 333 4.751 11.272 5.876 153 H PHE 334 H PHE 334 7.843 9.107 6.721 154 HA PHE 334 HA PHE 334 10.032 9.621 4.938 155 HB2 PHE 334 1HB PHE 334 9.895 7.994 7.514 156 HB3 PHE 334 2HB PHE 334 11.397 8.460 6.684 157 HD1 PHE 334 HD1 PHE 334 9.550 11.178 6.025 158 HD2 PHE 334 HD2 PHE 334 11.215 9.152 9.397 159 HE1 PHE 334 HE1 PHE 334 9.585 13.306 7.284 160 HE2 PHE 334 HE2 PHE 334 11.251 11.277 10.660 161 HZ PHE 334 HZ PHE 334 10.436 13.354 9.601 162 H GLN 335 H GLN 335 8.122 6.751 5.562 163 HA GLN 335 HA GLN 335 9.950 4.862 4.386 164 HB2 GLN 335 1HB GLN 335 8.012 4.305 5.842 165 HB3 GLN 335 2HB GLN 335 6.929 4.781 4.512 166 HG2 GLN 335 1HG GLN 335 7.177 2.209 4.285 167 HG3 GLN 335 2HG GLN 335 8.037 3.273 3.146 168 HE21 GLN 335 2HE2 GLN 335 9.502 1.604 2.630 169 HE22 GLN 335 1HE2 GLN 335 10.766 1.136 3.720 170 H HIS 336 H HIS 336 7.617 7.091 3.031 171 HA HIS 336 HA HIS 336 7.966 5.805 0.352 172 HB2 HIS 336 1HB HIS 336 5.833 7.662 1.482 173 HB3 HIS 336 2HB HIS 336 5.981 7.299 -0.254 174 HD2 HIS 336 HD2 HIS 336 4.773 4.847 -1.054 175 HE1 HIS 336 HE1 HIS 336 3.894 3.594 2.910 176 H GLY 337 H GLY 337 9.493 8.036 2.096 177 HA2 GLY 337 1HA GLY 337 11.079 9.590 1.397 178 HA3 GLY 337 2HA GLY 337 10.583 9.304 -0.286 179 H VAL 338 H VAL 338 8.121 10.045 2.035 180 HA VAL 338 HA VAL 338 7.563 12.622 0.651 181 HB VAL 338 HB VAL 338 6.056 11.108 2.825 182 HG11 VAL 338 1HG1 VAL 338 4.229 12.702 2.345 183 HG12 VAL 338 2HG1 VAL 338 5.678 13.548 2.935 184 HG13 VAL 338 3HG1 VAL 338 5.283 13.566 1.200 185 HG21 VAL 338 3HG2 VAL 338 6.049 9.925 0.710 186 HG22 VAL 338 1HG2 VAL 338 4.443 10.608 1.058 187 HG23 VAL 338 2HG2 VAL 338 5.505 11.397 -0.132 188 H THR 339 H THR 339 8.195 14.490 1.252 189 HA THR 339 HA THR 339 9.075 14.859 4.085 190 HB THR 339 HB THR 339 10.108 16.950 3.294 191 HG1 THR 339 HG1 THR 339 10.068 17.365 1.005 192 HG21 THR 339 1HG2 THR 339 11.839 15.974 1.827 193 HG22 THR 339 2HG2 THR 339 11.422 14.862 3.153 194 HG23 THR 339 3HG2 THR 339 10.786 14.573 1.517 195 H ASP 340 H ASP 340 6.675 15.854 1.746 196 HA ASP 340 HA ASP 340 5.508 17.748 3.730 197 HB2 ASP 340 1HB ASP 340 5.651 18.348 1.193 198 HB3 ASP 340 2HB ASP 340 4.561 16.946 1.055 199 H LEU 341 H LEU 341 5.003 16.158 5.293 200 HA LEU 341 HA LEU 341 3.293 13.927 4.792 201 HB2 LEU 341 1HB LEU 341 4.499 14.042 6.684 202 HB3 LEU 341 2HB LEU 341 3.859 15.583 7.299 203 HG LEU 341 HG LEU 341 1.620 14.480 7.542 204 HD11 LEU 341 1HD1 LEU 341 1.566 11.971 7.540 205 HD12 LEU 341 2HD1 LEU 341 2.003 12.610 5.937 206 HD13 LEU 341 3HD1 LEU 341 3.263 11.951 7.007 207 HD21 LEU 341 3HD2 LEU 341 3.073 14.778 9.459 208 HD22 LEU 341 1HD2 LEU 341 2.196 13.235 9.597 209 HD23 LEU 341 2HD2 LEU 341 3.906 13.245 9.102 210 H ARG 342 H ARG 342 2.507 17.255 5.805 211 HA ARG 342 HA ARG 342 -0.294 16.780 6.142 212 HB2 ARG 342 1HB ARG 342 1.246 19.274 5.614 213 HB3 ARG 342 2HB ARG 342 -0.520 19.226 5.821 214 HG2 ARG 342 1HG ARG 342 -0.235 18.277 8.068 215 HG3 ARG 342 2HG ARG 342 1.533 18.313 7.860 216 HD2 ARG 342 1HD ARG 342 1.483 20.715 7.733 217 HD3 ARG 342 2HD ARG 342 -0.289 20.698 7.893 218 HE ARG 342 HE ARG 342 0.803 19.490 10.281 219 HH11 ARG 342 1HH1 ARG 342 0.816 22.607 8.718 220 HH12 ARG 342 2HH1 ARG 342 0.947 23.396 10.277 221 HH21 ARG 342 1HH2 ARG 342 0.962 20.379 12.075 222 HH22 ARG 342 2HH2 ARG 342 1.032 22.126 12.192 223 H GLY 343 H GLY 343 1.614 17.655 3.299 224 HA2 GLY 343 1HA GLY 343 -0.516 18.147 1.499 225 HA3 GLY 343 2HA GLY 343 1.076 17.483 1.059 226 H MET 344 H MET 344 1.019 15.091 2.512 227 HA MET 344 HA MET 344 -0.689 13.458 0.786 228 HB2 MET 344 1HB MET 344 1.122 12.805 3.109 229 HB3 MET 344 2HB MET 344 0.253 11.596 2.132 230 HG2 MET 344 1HG MET 344 2.360 13.535 1.129 231 HG3 MET 344 2HG MET 344 2.601 11.800 1.438 232 HE1 MET 344 3HE MET 344 2.247 14.287 -1.221 233 HE2 MET 344 1HE MET 344 0.938 13.761 -2.305 234 HE3 MET 344 2HE MET 344 0.550 14.429 -0.700 235 H LEU 345 H LEU 345 -0.868 14.734 4.027 236 HA LEU 345 HA LEU 345 -3.095 13.028 4.831 237 HB2 LEU 345 1HB LEU 345 -2.039 15.628 5.725 238 HB3 LEU 345 2HB LEU 345 -3.326 14.834 6.664 239 HG LEU 345 HG LEU 345 -0.482 13.842 6.229 240 HD11 LEU 345 1HD1 LEU 345 -0.329 14.075 8.722 241 HD12 LEU 345 2HD1 LEU 345 -0.717 15.631 7.950 242 HD13 LEU 345 3HD1 LEU 345 -1.998 14.690 8.753 243 HD21 LEU 345 3HD2 LEU 345 -2.033 11.978 6.166 244 HD22 LEU 345 1HD2 LEU 345 -1.102 11.943 7.683 245 HD23 LEU 345 2HD2 LEU 345 -2.787 12.517 7.685 246 H LYS 346 H LYS 346 -2.749 15.963 2.992 247 HA LYS 346 HA LYS 346 -5.635 16.488 2.941 248 HB2 LYS 346 1HB LYS 346 -3.321 17.399 1.229 249 HB3 LYS 346 2HB LYS 346 -5.009 17.897 0.966 250 HG2 LYS 346 1HG LYS 346 -5.065 18.940 3.183 251 HG3 LYS 346 2HG LYS 346 -3.394 18.411 3.486 252 HD2 LYS 346 1HD LYS 346 -2.628 19.762 1.563 253 HD3 LYS 346 2HD LYS 346 -4.300 20.313 1.298 254 HE2 LYS 346 1HE LYS 346 -4.324 21.329 3.534 255 HE3 LYS 346 2HE LYS 346 -2.658 20.770 3.809 256 HZ1 LYS 346 3HZ LYS 346 -3.506 22.673 1.720 257 HZ2 LYS 346 1HZ LYS 346 -2.724 23.069 3.116 258 HZ3 LYS 346 2HZ LYS 346 -1.960 22.156 1.974 259 H ARG 347 H ARG 347 -3.413 14.405 1.272 260 HA ARG 347 HA ARG 347 -5.212 13.837 -0.958 261 HB2 ARG 347 1HB ARG 347 -2.839 12.346 0.068 262 HB3 ARG 347 2HB ARG 347 -3.774 11.946 -1.392 263 HG2 ARG 347 1HG ARG 347 -2.490 14.654 -1.021 264 HG3 ARG 347 2HG ARG 347 -1.579 13.271 -1.676 265 HD2 ARG 347 1HD ARG 347 -3.192 13.073 -3.473 266 HD3 ARG 347 2HD ARG 347 -4.079 14.470 -2.824 267 HE ARG 347 HE ARG 347 -1.396 15.355 -3.463 268 HH11 ARG 347 1HH1 ARG 347 -4.225 14.188 -5.137 269 HH12 ARG 347 2HH1 ARG 347 -3.791 15.140 -6.544 270 HH21 ARG 347 1HH2 ARG 347 -0.883 16.444 -5.069 271 HH22 ARG 347 2HH2 ARG 347 -1.886 16.426 -6.506 272 H LEU 348 H LEU 348 -5.103 12.926 2.336 273 HA LEU 348 HA LEU 348 -6.536 10.419 2.079 274 HB2 LEU 348 1HB LEU 348 -6.278 12.467 4.179 275 HB3 LEU 348 2HB LEU 348 -7.127 10.949 4.553 276 HG LEU 348 HG LEU 348 -4.197 11.257 3.790 277 HD11 LEU 348 1HD1 LEU 348 -3.786 10.408 6.115 278 HD12 LEU 348 2HD1 LEU 348 -4.715 11.925 6.135 279 HD13 LEU 348 3HD1 LEU 348 -5.542 10.370 6.395 280 HD21 LEU 348 3HD2 LEU 348 -5.124 9.222 2.853 281 HD22 LEU 348 1HD2 LEU 348 -4.029 8.827 4.199 282 HD23 LEU 348 2HD2 LEU 348 -5.792 8.763 4.437 283 H LYS 349 H LYS 349 -7.458 13.770 1.959 284 HA LYS 349 HA LYS 349 -10.331 13.094 2.283 285 HB2 LYS 349 1HB LYS 349 -8.868 15.694 1.812 286 HB3 LYS 349 2HB LYS 349 -10.635 15.536 1.954 287 HG2 LYS 349 1HG LYS 349 -10.387 14.707 4.251 288 HG3 LYS 349 2HG LYS 349 -8.617 14.830 4.113 289 HD2 LYS 349 1HD LYS 349 -8.820 17.263 3.753 290 HD3 LYS 349 2HD LYS 349 -10.588 17.133 3.914 291 HE2 LYS 349 1HE LYS 349 -10.329 16.301 6.205 292 HE3 LYS 349 2HE LYS 349 -8.560 16.400 6.049 293 HZ1 LYS 349 3HZ LYS 349 -10.424 18.682 5.907 294 HZ2 LYS 349 1HZ LYS 349 -9.460 18.309 7.193 295 HZ3 LYS 349 2HZ LYS 349 -8.783 18.775 5.762 Start of MODEL 3 1 H GLU 315 1H GLU 315 1.965 -2.060 -0.909 2 HA GLU 315 HA GLU 315 0.502 -0.251 0.753 3 HB2 GLU 315 1HB GLU 315 3.408 -1.063 0.910 4 HB3 GLU 315 2HB GLU 315 2.463 -0.285 2.202 5 HG2 GLU 315 1HG GLU 315 1.004 -2.343 2.349 6 HG3 GLU 315 2HG GLU 315 1.937 -2.954 0.963 7 H ASP 316 H ASP 316 0.189 1.429 -0.919 8 HA ASP 316 HA ASP 316 2.432 3.233 -1.437 9 HB2 ASP 316 1HB ASP 316 -0.598 3.570 -1.865 10 HB3 ASP 316 2HB ASP 316 0.716 4.739 -2.145 11 H VAL 317 H VAL 317 2.477 5.473 -0.814 12 HA VAL 317 HA VAL 317 2.428 5.730 2.071 13 HB VAL 317 HB VAL 317 3.954 7.009 0.477 14 HG11 VAL 317 1HG1 VAL 317 3.041 9.101 -0.473 15 HG12 VAL 317 2HG1 VAL 317 2.222 7.676 -1.156 16 HG13 VAL 317 3HG1 VAL 317 1.416 8.651 0.096 17 HG21 VAL 317 3HG2 VAL 317 3.762 7.582 2.823 18 HG22 VAL 317 1HG2 VAL 317 3.931 9.046 1.827 19 HG23 VAL 317 2HG2 VAL 317 2.339 8.593 2.479 20 H TRP 318 H TRP 318 0.168 6.698 -0.452 21 HA TRP 318 HA TRP 318 -1.585 8.032 1.502 22 HB2 TRP 318 1HB TRP 318 -3.128 8.252 -0.429 23 HB3 TRP 318 2HB TRP 318 -1.495 8.824 -0.846 24 HD1 TRP 318 HD1 TRP 318 -0.262 7.643 -2.625 25 HE1 TRP 318 HE1 TRP 318 -0.894 5.777 -4.475 26 HE3 TRP 318 HE3 TRP 318 -4.677 6.101 -0.633 27 HZ2 TRP 318 HZ2 TRP 318 -2.989 4.016 -4.857 28 HZ3 TRP 318 HZ3 TRP 318 -5.961 4.367 -1.723 29 HH2 TRP 318 HH2 TRP 318 -5.186 3.302 -3.797 30 H GLU 319 H GLU 319 -1.131 4.841 0.227 31 HA GLU 319 HA GLU 319 -3.795 3.865 0.872 32 HB2 GLU 319 1HB GLU 319 -2.328 2.802 -0.782 33 HB3 GLU 319 2HB GLU 319 -1.178 2.395 0.515 34 HG2 GLU 319 1HG GLU 319 -3.003 0.939 1.574 35 HG3 GLU 319 2HG GLU 319 -3.992 1.443 0.183 36 H ILE 320 H ILE 320 -0.701 3.998 2.582 37 HA ILE 320 HA ILE 320 -1.779 2.397 4.829 38 HB ILE 320 HB ILE 320 0.875 3.872 4.505 39 HG12 ILE 320 1HG1 ILE 320 0.668 2.163 2.859 40 HG13 ILE 320 2HG1 ILE 320 1.846 1.698 4.108 41 HG21 ILE 320 1HG2 ILE 320 1.601 2.478 6.412 42 HG22 ILE 320 2HG2 ILE 320 0.229 3.515 6.865 43 HG23 ILE 320 3HG2 ILE 320 -0.036 1.787 6.531 44 HD11 ILE 320 3HD1 ILE 320 -1.011 0.689 3.897 45 HD12 ILE 320 1HD1 ILE 320 0.449 -0.220 3.446 46 HD13 ILE 320 2HD1 ILE 320 0.167 0.224 5.146 47 H LEU 321 H LEU 321 -0.744 5.756 4.296 48 HA LEU 321 HA LEU 321 -1.127 6.632 6.963 49 HB2 LEU 321 1HB LEU 321 -1.410 7.890 4.325 50 HB3 LEU 321 2HB LEU 321 -1.555 8.930 5.761 51 HG LEU 321 HG LEU 321 0.889 7.312 4.940 52 HD11 LEU 321 1HD1 LEU 321 1.942 9.564 4.603 53 HD12 LEU 321 2HD1 LEU 321 0.527 9.348 3.547 54 HD13 LEU 321 3HD1 LEU 321 0.394 10.334 5.022 55 HD21 LEU 321 3HD2 LEU 321 0.660 7.412 7.352 56 HD22 LEU 321 1HD2 LEU 321 2.017 8.438 6.828 57 HD23 LEU 321 2HD2 LEU 321 0.466 9.180 7.290 58 H ARG 322 H ARG 322 -3.459 6.079 4.401 59 HA ARG 322 HA ARG 322 -5.618 7.620 5.398 60 HB2 ARG 322 1HB ARG 322 -5.612 6.639 3.222 61 HB3 ARG 322 2HB ARG 322 -5.734 5.016 3.942 62 HG2 ARG 322 1HG ARG 322 -7.924 5.549 4.857 63 HG3 ARG 322 2HG ARG 322 -7.798 7.219 4.252 64 HD2 ARG 322 1HD ARG 322 -7.836 6.421 1.987 65 HD3 ARG 322 2HD ARG 322 -7.898 4.739 2.565 66 HE ARG 322 HE ARG 322 -10.255 6.109 3.550 67 HH11 ARG 322 1HH1 ARG 322 -8.908 5.070 0.507 68 HH12 ARG 322 2HH1 ARG 322 -10.522 4.870 -0.146 69 HH21 ARG 322 1HH2 ARG 322 -12.111 5.893 2.814 70 HH22 ARG 322 2HH2 ARG 322 -12.349 5.339 1.168 71 H GLN 323 H GLN 323 -4.552 4.358 6.304 72 HA GLN 323 HA GLN 323 -6.816 4.278 8.270 73 HB2 GLN 323 1HB GLN 323 -5.307 2.042 6.898 74 HB3 GLN 323 2HB GLN 323 -6.547 1.825 8.156 75 HG2 GLN 323 1HG GLN 323 -8.273 2.946 6.379 76 HG3 GLN 323 2HG GLN 323 -6.717 2.984 5.515 77 HE21 GLN 323 2HE2 GLN 323 -8.629 1.826 4.147 78 HE22 GLN 323 1HE2 GLN 323 -8.520 0.097 4.178 79 H ALA 324 H ALA 324 -3.530 4.717 8.024 80 HA ALA 324 HA ALA 324 -2.716 3.075 10.290 81 HB1 ALA 324 3HB ALA 324 -1.293 5.351 8.867 82 HB2 ALA 324 1HB ALA 324 -0.561 4.247 10.053 83 HB3 ALA 324 2HB ALA 324 -1.138 3.619 8.492 84 HA PRO 325 HA PRO 325 -3.495 5.843 13.652 85 HB2 PRO 325 1HB PRO 325 -0.744 5.127 14.663 86 HB3 PRO 325 2HB PRO 325 -2.307 4.871 15.450 87 HG2 PRO 325 1HG PRO 325 -0.967 2.785 14.441 88 HG3 PRO 325 2HG PRO 325 -2.726 2.863 14.278 89 HD2 PRO 325 1HD PRO 325 -0.594 3.538 12.194 90 HD3 PRO 325 2HD PRO 325 -2.076 2.596 11.990 91 HA PRO 326 HA PRO 326 -1.676 9.551 12.445 92 HB2 PRO 326 1HB PRO 326 -2.245 11.080 14.703 93 HB3 PRO 326 2HB PRO 326 -3.503 10.623 13.545 94 HG2 PRO 326 1HG PRO 326 -2.780 9.319 16.188 95 HG3 PRO 326 2HG PRO 326 -4.379 9.706 15.541 96 HD2 PRO 326 1HD PRO 326 -3.407 7.170 15.382 97 HD3 PRO 326 2HD PRO 326 -4.380 7.834 14.062 98 H SER 327 H SER 327 -0.605 7.859 15.258 99 HA SER 327 HA SER 327 1.650 9.634 15.915 100 HB2 SER 327 1HB SER 327 2.321 8.025 17.392 101 HB3 SER 327 2HB SER 327 0.566 8.277 17.533 102 HG SER 327 HG SER 327 1.928 6.110 16.324 103 H GLU 328 H GLU 328 0.986 7.302 13.454 104 HA GLU 328 HA GLU 328 3.865 6.534 13.215 105 HB2 GLU 328 1HB GLU 328 1.423 5.391 11.851 106 HB3 GLU 328 2HB GLU 328 3.086 4.756 11.782 107 HG2 GLU 328 1HG GLU 328 1.194 4.707 14.203 108 HG3 GLU 328 2HG GLU 328 1.882 3.399 13.215 109 H TYR 329 H TYR 329 1.818 8.847 12.044 110 HA TYR 329 HA TYR 329 2.054 8.539 9.205 111 HB2 TYR 329 1HB TYR 329 1.520 10.916 10.986 112 HB3 TYR 329 2HB TYR 329 1.538 11.018 9.208 113 HD1 TYR 329 HD1 TYR 329 0.372 7.864 9.672 114 HD2 TYR 329 HD2 TYR 329 -0.897 11.876 10.361 115 HE1 TYR 329 HE1 TYR 329 -1.990 7.119 9.605 116 HE2 TYR 329 HE2 TYR 329 -3.259 11.151 10.297 117 HH TYR 329 HH TYR 329 -4.172 7.729 9.974 118 H GLU 330 H GLU 330 4.097 10.166 11.583 119 HA GLU 330 HA GLU 330 5.807 11.504 9.706 120 HB2 GLU 330 1HB GLU 330 5.730 11.999 12.105 121 HB3 GLU 330 2HB GLU 330 6.420 10.394 12.450 122 HG2 GLU 330 1HG GLU 330 8.535 11.096 11.210 123 HG3 GLU 330 2HG GLU 330 7.687 12.633 10.929 124 H ARG 331 H ARG 331 6.094 8.305 11.263 125 HA ARG 331 HA ARG 331 8.612 7.717 9.940 126 HB2 ARG 331 1HB ARG 331 6.682 5.989 11.416 127 HB3 ARG 331 2HB ARG 331 8.201 5.415 10.687 128 HG2 ARG 331 1HG ARG 331 9.493 6.889 12.123 129 HG3 ARG 331 2HG ARG 331 7.999 7.583 12.798 130 HD2 ARG 331 1HD ARG 331 7.440 5.427 13.753 131 HD3 ARG 331 2HD ARG 331 8.949 4.752 13.096 132 HE ARG 331 HE ARG 331 9.712 6.889 14.864 133 HH11 ARG 331 1HH1 ARG 331 8.041 3.839 15.129 134 HH12 ARG 331 2HH1 ARG 331 8.629 3.653 16.769 135 HH21 ARG 331 1HH2 ARG 331 10.386 6.693 16.744 136 HH22 ARG 331 2HH2 ARG 331 9.966 5.280 17.692 137 H ILE 332 H ILE 332 5.224 7.126 9.194 138 HA ILE 332 HA ILE 332 5.740 5.191 7.085 139 HB ILE 332 HB ILE 332 3.350 6.988 7.694 140 HG12 ILE 332 1HG1 ILE 332 3.605 4.012 7.974 141 HG13 ILE 332 2HG1 ILE 332 3.992 5.156 9.279 142 HG21 ILE 332 1HG2 ILE 332 2.115 5.600 6.064 143 HG22 ILE 332 2HG2 ILE 332 3.453 6.470 5.279 144 HG23 ILE 332 3HG2 ILE 332 3.617 4.739 5.657 145 HD11 ILE 332 3HD1 ILE 332 1.296 4.867 7.906 146 HD12 ILE 332 1HD1 ILE 332 1.709 4.262 9.526 147 HD13 ILE 332 2HD1 ILE 332 1.682 6.014 9.212 148 H ALA 333 H ALA 333 4.993 8.673 6.993 149 HA ALA 333 HA ALA 333 5.120 8.915 4.178 150 HB1 ALA 333 3HB ALA 333 5.862 10.958 6.300 151 HB2 ALA 333 1HB ALA 333 5.527 11.311 4.590 152 HB3 ALA 333 2HB ALA 333 4.234 10.678 5.637 153 H PHE 334 H PHE 334 7.704 9.258 6.609 154 HA PHE 334 HA PHE 334 9.725 10.014 4.685 155 HB2 PHE 334 1HB PHE 334 9.947 8.844 7.492 156 HB3 PHE 334 2HB PHE 334 11.311 9.482 6.546 157 HD1 PHE 334 HD1 PHE 334 9.012 11.623 5.477 158 HD2 PHE 334 HD2 PHE 334 10.876 10.521 9.160 159 HE1 PHE 334 HE1 PHE 334 8.578 13.886 6.373 160 HE2 PHE 334 HE2 PHE 334 10.440 12.781 10.060 161 HZ PHE 334 HZ PHE 334 9.292 14.465 8.664 162 H GLN 335 H GLN 335 8.522 6.933 5.852 163 HA GLN 335 HA GLN 335 10.634 5.298 4.798 164 HB2 GLN 335 1HB GLN 335 8.854 4.568 6.381 165 HB3 GLN 335 2HB GLN 335 7.685 4.667 5.042 166 HG2 GLN 335 1HG GLN 335 8.421 2.180 5.107 167 HG3 GLN 335 2HG GLN 335 9.047 3.242 3.825 168 HE21 GLN 335 2HE2 GLN 335 10.797 1.822 3.459 169 HE22 GLN 335 1HE2 GLN 335 12.140 1.740 4.549 170 H HIS 336 H HIS 336 7.911 6.897 3.299 171 HA HIS 336 HA HIS 336 8.427 5.441 0.749 172 HB2 HIS 336 1HB HIS 336 6.193 7.316 1.638 173 HB3 HIS 336 2HB HIS 336 6.362 6.692 -0.020 174 HD2 HIS 336 HD2 HIS 336 5.456 3.983 -0.384 175 HE1 HIS 336 HE1 HIS 336 4.318 3.519 3.683 176 H GLY 337 H GLY 337 9.759 7.964 2.279 177 HA2 GLY 337 1HA GLY 337 11.208 9.591 1.465 178 HA3 GLY 337 2HA GLY 337 10.832 9.057 -0.190 179 H VAL 338 H VAL 338 8.251 9.875 2.005 180 HA VAL 338 HA VAL 338 7.667 12.331 0.367 181 HB VAL 338 HB VAL 338 5.851 10.659 2.156 182 HG11 VAL 338 1HG1 VAL 338 4.049 12.065 1.215 183 HG12 VAL 338 2HG1 VAL 338 5.236 13.052 2.099 184 HG13 VAL 338 3HG1 VAL 338 5.258 13.015 0.320 185 HG21 VAL 338 3HG2 VAL 338 6.447 9.462 0.136 186 HG22 VAL 338 1HG2 VAL 338 4.749 9.990 0.081 187 HG23 VAL 338 2HG2 VAL 338 5.983 10.866 -0.856 188 H THR 339 H THR 339 7.976 14.223 1.117 189 HA THR 339 HA THR 339 8.391 14.521 4.062 190 HB THR 339 HB THR 339 9.475 16.660 3.506 191 HG1 THR 339 HG1 THR 339 9.781 17.153 1.252 192 HG21 THR 339 1HG2 THR 339 11.441 15.776 2.299 193 HG22 THR 339 2HG2 THR 339 10.855 14.609 3.510 194 HG23 THR 339 3HG2 THR 339 10.491 14.362 1.785 195 H ASP 340 H ASP 340 6.272 15.381 1.460 196 HA ASP 340 HA ASP 340 4.966 17.526 3.016 197 HB2 ASP 340 1HB ASP 340 5.181 17.509 0.398 198 HB3 ASP 340 2HB ASP 340 4.052 16.143 0.582 199 H LEU 341 H LEU 341 4.654 15.989 4.842 200 HA LEU 341 HA LEU 341 2.626 13.933 4.590 201 HB2 LEU 341 1HB LEU 341 4.238 13.875 6.218 202 HB3 LEU 341 2HB LEU 341 3.783 15.395 7.023 203 HG LEU 341 HG LEU 341 1.567 14.372 7.576 204 HD11 LEU 341 1HD1 LEU 341 1.367 11.876 7.410 205 HD12 LEU 341 2HD1 LEU 341 1.564 12.617 5.804 206 HD13 LEU 341 3HD1 LEU 341 2.946 11.819 6.593 207 HD21 LEU 341 3HD2 LEU 341 3.337 14.452 9.230 208 HD22 LEU 341 1HD2 LEU 341 2.407 12.946 9.410 209 HD23 LEU 341 2HD2 LEU 341 4.007 12.917 8.631 210 H ARG 342 H ARG 342 2.574 17.349 5.521 211 HA ARG 342 HA ARG 342 -0.156 17.409 6.394 212 HB2 ARG 342 1HB ARG 342 1.622 19.543 5.314 213 HB3 ARG 342 2HB ARG 342 -0.050 19.815 5.859 214 HG2 ARG 342 1HG ARG 342 0.540 19.035 8.103 215 HG3 ARG 342 2HG ARG 342 2.207 18.716 7.564 216 HD2 ARG 342 1HD ARG 342 2.517 21.078 7.141 217 HD3 ARG 342 2HD ARG 342 0.853 21.392 7.687 218 HE ARG 342 HE ARG 342 2.283 20.192 9.897 219 HH11 ARG 342 1HH1 ARG 342 2.379 23.136 8.032 220 HH12 ARG 342 2HH1 ARG 342 2.987 24.007 9.425 221 HH21 ARG 342 1HH2 ARG 342 2.988 21.173 11.500 222 HH22 ARG 342 2HH2 ARG 342 3.336 22.889 11.404 223 H GLY 343 H GLY 343 1.297 17.991 3.195 224 HA2 GLY 343 1HA GLY 343 -1.203 18.583 1.903 225 HA3 GLY 343 2HA GLY 343 0.312 18.104 1.103 226 H MET 344 H MET 344 0.657 15.601 2.423 227 HA MET 344 HA MET 344 -0.928 13.932 0.686 228 HB2 MET 344 1HB MET 344 1.341 13.405 1.505 229 HB3 MET 344 2HB MET 344 0.669 13.198 3.141 230 HG2 MET 344 1HG MET 344 0.995 11.026 2.107 231 HG3 MET 344 2HG MET 344 -0.742 11.352 2.311 232 HE1 MET 344 3HE MET 344 2.261 11.085 -0.205 233 HE2 MET 344 1HE MET 344 1.513 11.608 -1.733 234 HE3 MET 344 2HE MET 344 1.754 12.779 -0.413 235 H LEU 345 H LEU 345 -1.134 14.674 4.153 236 HA LEU 345 HA LEU 345 -3.338 12.821 4.584 237 HB2 LEU 345 1HB LEU 345 -2.227 15.116 6.056 238 HB3 LEU 345 2HB LEU 345 -3.494 14.125 6.817 239 HG LEU 345 HG LEU 345 -0.718 13.183 5.998 240 HD11 LEU 345 1HD1 LEU 345 -0.356 12.930 8.468 241 HD12 LEU 345 2HD1 LEU 345 -0.714 14.618 8.036 242 HD13 LEU 345 3HD1 LEU 345 -1.980 13.596 8.758 243 HD21 LEU 345 3HD2 LEU 345 -2.372 11.431 5.725 244 HD22 LEU 345 1HD2 LEU 345 -1.329 11.069 7.120 245 HD23 LEU 345 2HD2 LEU 345 -2.973 11.701 7.378 246 H LYS 346 H LYS 346 -3.055 16.252 3.831 247 HA LYS 346 HA LYS 346 -5.844 16.888 4.146 248 HB2 LYS 346 1HB LYS 346 -4.046 18.552 3.942 249 HB3 LYS 346 2HB LYS 346 -3.789 18.045 2.256 250 HG2 LYS 346 1HG LYS 346 -6.010 18.818 1.641 251 HG3 LYS 346 2HG LYS 346 -6.373 19.217 3.337 252 HD2 LYS 346 1HD LYS 346 -4.583 20.898 3.336 253 HD3 LYS 346 2HD LYS 346 -4.190 20.488 1.649 254 HE2 LYS 346 1HE LYS 346 -6.454 21.174 0.961 255 HE3 LYS 346 2HE LYS 346 -6.832 21.601 2.646 256 HZ1 LYS 346 3HZ LYS 346 -4.736 22.853 0.989 257 HZ2 LYS 346 1HZ LYS 346 -6.194 23.527 1.361 258 HZ3 LYS 346 2HZ LYS 346 -5.086 23.249 2.552 259 H ARG 347 H ARG 347 -3.973 15.609 1.415 260 HA ARG 347 HA ARG 347 -6.190 15.599 -0.437 261 HB2 ARG 347 1HB ARG 347 -3.621 14.092 -0.374 262 HB3 ARG 347 2HB ARG 347 -4.859 13.893 -1.637 263 HG2 ARG 347 1HG ARG 347 -4.644 16.230 -2.268 264 HG3 ARG 347 2HG ARG 347 -3.489 16.509 -0.943 265 HD2 ARG 347 1HD ARG 347 -1.909 15.026 -1.999 266 HD3 ARG 347 2HD ARG 347 -3.066 14.720 -3.315 267 HE ARG 347 HE ARG 347 -2.503 17.547 -3.336 268 HH11 ARG 347 1HH1 ARG 347 -0.738 14.578 -3.814 269 HH12 ARG 347 2HH1 ARG 347 0.343 15.393 -4.926 270 HH21 ARG 347 1HH2 ARG 347 -1.268 18.496 -4.601 271 HH22 ARG 347 2HH2 ARG 347 0.043 17.628 -5.376 272 H LEU 348 H LEU 348 -5.013 13.283 1.959 273 HA LEU 348 HA LEU 348 -6.886 11.197 1.227 274 HB2 LEU 348 1HB LEU 348 -5.356 11.928 3.625 275 HB3 LEU 348 2HB LEU 348 -6.345 10.451 3.691 276 HG LEU 348 HG LEU 348 -4.047 10.973 1.765 277 HD11 LEU 348 1HD1 LEU 348 -2.861 9.195 3.079 278 HD12 LEU 348 2HD1 LEU 348 -3.274 10.589 4.104 279 HD13 LEU 348 3HD1 LEU 348 -4.252 9.104 4.183 280 HD21 LEU 348 3HD2 LEU 348 -5.765 9.570 0.788 281 HD22 LEU 348 1HD2 LEU 348 -4.319 8.598 1.145 282 HD23 LEU 348 2HD2 LEU 348 -5.742 8.501 2.210 283 H LYS 349 H LYS 349 -6.994 13.924 3.481 284 HA LYS 349 HA LYS 349 -9.474 13.216 4.736 285 HB2 LYS 349 1HB LYS 349 -7.889 14.912 5.568 286 HB3 LYS 349 2HB LYS 349 -8.315 15.953 4.188 287 HG2 LYS 349 1HG LYS 349 -10.611 16.131 4.988 288 HG3 LYS 349 2HG LYS 349 -10.257 15.009 6.324 289 HD2 LYS 349 1HD LYS 349 -8.618 16.604 7.233 290 HD3 LYS 349 2HD LYS 349 -8.964 17.725 5.895 291 HE2 LYS 349 1HE LYS 349 -11.299 17.895 6.634 292 HE3 LYS 349 2HE LYS 349 -10.964 16.767 7.966 293 HZ1 LYS 349 3HZ LYS 349 -9.718 19.417 7.611 294 HZ2 LYS 349 1HZ LYS 349 -10.901 19.052 8.701 295 HZ3 LYS 349 2HZ LYS 349 -9.406 18.370 8.847 Start of MODEL 4 1 H GLU 315 1H GLU 315 -2.835 1.108 -2.316 2 HA GLU 315 HA GLU 315 -0.121 0.390 -1.772 3 HB2 GLU 315 1HB GLU 315 -1.395 1.480 -4.286 4 HB3 GLU 315 2HB GLU 315 0.241 0.788 -4.183 5 HG2 GLU 315 1HG GLU 315 -0.791 -1.441 -3.521 6 HG3 GLU 315 2HG GLU 315 -2.350 -0.589 -3.604 7 H ASP 316 H ASP 316 -1.659 3.494 -2.242 8 HA ASP 316 HA ASP 316 0.892 4.904 -2.615 9 HB2 ASP 316 1HB ASP 316 -1.673 5.580 -3.363 10 HB3 ASP 316 2HB ASP 316 -1.523 6.228 -1.711 11 H VAL 317 H VAL 317 1.299 6.866 -1.203 12 HA VAL 317 HA VAL 317 2.000 5.797 1.419 13 HB VAL 317 HB VAL 317 2.170 8.614 0.269 14 HG11 VAL 317 1HG1 VAL 317 3.697 9.060 2.162 15 HG12 VAL 317 2HG1 VAL 317 2.069 8.631 2.740 16 HG13 VAL 317 3HG1 VAL 317 3.381 7.430 2.801 17 HG21 VAL 317 3HG2 VAL 317 3.554 7.025 -0.925 18 HG22 VAL 317 1HG2 VAL 317 4.554 8.132 0.044 19 HG23 VAL 317 2HG2 VAL 317 4.270 6.469 0.607 20 H TRP 318 H TRP 318 -0.343 8.246 0.340 21 HA TRP 318 HA TRP 318 -1.303 8.697 3.056 22 HB2 TRP 318 1HB TRP 318 -3.099 9.993 1.921 23 HB3 TRP 318 2HB TRP 318 -1.487 10.454 1.324 24 HD1 TRP 318 HD1 TRP 318 -0.921 9.946 -1.046 25 HE1 TRP 318 HE1 TRP 318 -2.370 9.292 -3.233 26 HE3 TRP 318 HE3 TRP 318 -5.218 8.584 1.303 27 HZ2 TRP 318 HZ2 TRP 318 -4.929 8.354 -3.688 28 HZ3 TRP 318 HZ3 TRP 318 -7.119 7.829 0.015 29 HH2 TRP 318 HH2 TRP 318 -7.040 7.691 -2.438 30 H GLU 319 H GLU 319 -1.978 6.391 0.560 31 HA GLU 319 HA GLU 319 -4.502 5.482 1.719 32 HB2 GLU 319 1HB GLU 319 -2.519 4.231 -0.183 33 HB3 GLU 319 2HB GLU 319 -4.032 3.448 0.335 34 HG2 GLU 319 1HG GLU 319 -5.342 5.331 -0.736 35 HG3 GLU 319 2HG GLU 319 -3.760 6.063 -1.089 36 H ILE 320 H ILE 320 -1.087 4.602 2.071 37 HA ILE 320 HA ILE 320 -1.593 2.525 4.053 38 HB ILE 320 HB ILE 320 0.844 4.265 3.464 39 HG12 ILE 320 1HG1 ILE 320 0.416 1.336 2.958 40 HG13 ILE 320 2HG1 ILE 320 0.076 2.610 1.765 41 HG21 ILE 320 1HG2 ILE 320 2.087 2.704 4.922 42 HG22 ILE 320 2HG2 ILE 320 0.825 3.564 5.835 43 HG23 ILE 320 3HG2 ILE 320 0.567 1.876 5.334 44 HD11 ILE 320 3HD1 ILE 320 2.778 2.037 3.031 45 HD12 ILE 320 1HD1 ILE 320 2.289 1.598 1.378 46 HD13 ILE 320 2HD1 ILE 320 2.437 3.312 1.838 47 H LEU 321 H LEU 321 -1.058 6.013 4.239 48 HA LEU 321 HA LEU 321 -1.005 6.072 7.128 49 HB2 LEU 321 1HB LEU 321 -1.209 7.861 4.887 50 HB3 LEU 321 2HB LEU 321 -1.862 8.601 6.367 51 HG LEU 321 HG LEU 321 0.227 8.551 7.457 52 HD11 LEU 321 1HD1 LEU 321 2.213 7.318 6.545 53 HD12 LEU 321 2HD1 LEU 321 0.846 6.217 6.837 54 HD13 LEU 321 3HD1 LEU 321 1.217 6.756 5.182 55 HD21 LEU 321 3HD2 LEU 321 0.110 10.288 5.769 56 HD22 LEU 321 1HD2 LEU 321 1.783 9.695 5.916 57 HD23 LEU 321 2HD2 LEU 321 0.772 9.180 4.543 58 H ARG 322 H ARG 322 -3.541 5.782 4.811 59 HA ARG 322 HA ARG 322 -5.751 6.915 6.083 60 HB2 ARG 322 1HB ARG 322 -5.874 5.872 3.944 61 HB3 ARG 322 2HB ARG 322 -5.650 4.274 4.693 62 HG2 ARG 322 1HG ARG 322 -7.764 4.500 5.881 63 HG3 ARG 322 2HG ARG 322 -7.979 6.143 5.230 64 HD2 ARG 322 1HD ARG 322 -8.183 5.266 3.010 65 HD3 ARG 322 2HD ARG 322 -7.886 3.617 3.611 66 HE ARG 322 HE ARG 322 -10.290 4.589 4.893 67 HH11 ARG 322 1HH1 ARG 322 -9.206 3.773 1.681 68 HH12 ARG 322 2HH1 ARG 322 -10.838 3.306 1.242 69 HH21 ARG 322 1HH2 ARG 322 -12.165 4.067 4.404 70 HH22 ARG 322 2HH2 ARG 322 -12.526 3.474 2.794 71 H GLN 323 H GLN 323 -4.298 3.735 6.798 72 HA GLN 323 HA GLN 323 -6.174 3.533 9.123 73 HB2 GLN 323 1HB GLN 323 -4.577 1.423 7.654 74 HB3 GLN 323 2HB GLN 323 -5.619 1.133 9.067 75 HG2 GLN 323 1HG GLN 323 -7.678 1.915 7.483 76 HG3 GLN 323 2HG GLN 323 -6.259 2.121 6.428 77 HE21 GLN 323 2HE2 GLN 323 -8.423 0.591 5.638 78 HE22 GLN 323 1HE2 GLN 323 -7.968 -1.079 5.595 79 H ALA 324 H ALA 324 -3.248 4.708 8.597 80 HA ALA 324 HA ALA 324 -1.792 3.266 10.705 81 HB1 ALA 324 3HB ALA 324 -1.070 5.751 9.116 82 HB2 ALA 324 1HB ALA 324 0.014 4.869 10.217 83 HB3 ALA 324 2HB ALA 324 -0.580 4.083 8.734 84 HA PRO 325 HA PRO 325 -2.895 5.894 14.127 85 HB2 PRO 325 1HB PRO 325 -0.020 5.447 14.951 86 HB3 PRO 325 2HB PRO 325 -1.495 5.090 15.859 87 HG2 PRO 325 1HG PRO 325 -0.075 3.087 14.803 88 HG3 PRO 325 2HG PRO 325 -1.842 3.028 14.756 89 HD2 PRO 325 1HD PRO 325 0.093 3.793 12.520 90 HD3 PRO 325 2HD PRO 325 -1.338 2.757 12.436 91 HA PRO 326 HA PRO 326 -1.619 9.853 12.881 92 HB2 PRO 326 1HB PRO 326 -1.744 10.452 15.866 93 HB3 PRO 326 2HB PRO 326 -2.529 11.312 14.534 94 HG2 PRO 326 1HG PRO 326 -3.986 9.718 16.094 95 HG3 PRO 326 2HG PRO 326 -4.271 9.716 14.349 96 HD2 PRO 326 1HD PRO 326 -2.772 7.671 16.034 97 HD3 PRO 326 2HD PRO 326 -3.856 7.399 14.663 98 H SER 327 H SER 327 -0.035 8.224 15.580 99 HA SER 327 HA SER 327 2.284 10.005 15.699 100 HB2 SER 327 1HB SER 327 3.212 8.512 17.141 101 HB3 SER 327 2HB SER 327 1.491 8.717 17.543 102 HG SER 327 HG SER 327 2.773 6.519 16.317 103 H GLU 328 H GLU 328 1.285 7.379 13.632 104 HA GLU 328 HA GLU 328 4.109 6.817 12.828 105 HB2 GLU 328 1HB GLU 328 1.564 5.351 12.122 106 HB3 GLU 328 2HB GLU 328 3.233 4.840 11.772 107 HG2 GLU 328 1HG GLU 328 1.866 4.908 14.521 108 HG3 GLU 328 2HG GLU 328 2.476 3.558 13.537 109 H TYR 329 H TYR 329 1.704 8.870 11.975 110 HA TYR 329 HA TYR 329 1.565 8.685 9.142 111 HB2 TYR 329 1HB TYR 329 1.456 10.994 11.073 112 HB3 TYR 329 2HB TYR 329 1.324 11.227 9.312 113 HD1 TYR 329 HD1 TYR 329 -0.090 8.165 9.659 114 HD2 TYR 329 HD2 TYR 329 -0.905 12.203 10.763 115 HE1 TYR 329 HE1 TYR 329 -2.508 7.639 9.771 116 HE2 TYR 329 HE2 TYR 329 -3.321 11.696 10.878 117 HH TYR 329 HH TYR 329 -4.595 8.428 10.198 118 H GLU 330 H GLU 330 3.855 10.576 11.132 119 HA GLU 330 HA GLU 330 5.459 11.308 8.812 120 HB2 GLU 330 1HB GLU 330 5.952 11.420 11.789 121 HB3 GLU 330 2HB GLU 330 7.101 12.011 10.565 122 HG2 GLU 330 1HG GLU 330 5.380 13.708 9.809 123 HG3 GLU 330 2HG GLU 330 4.294 12.947 10.995 124 H ARG 331 H ARG 331 5.621 8.779 11.280 125 HA ARG 331 HA ARG 331 8.334 8.001 10.700 126 HB2 ARG 331 1HB ARG 331 6.098 6.585 12.067 127 HB3 ARG 331 2HB ARG 331 7.717 5.887 11.826 128 HG2 ARG 331 1HG ARG 331 8.720 7.689 13.122 129 HG3 ARG 331 2HG ARG 331 7.130 8.470 13.305 130 HD2 ARG 331 1HD ARG 331 6.347 6.645 14.632 131 HD3 ARG 331 2HD ARG 331 7.872 5.766 14.375 132 HE ARG 331 HE ARG 331 8.553 8.199 15.751 133 HH11 ARG 331 1HH1 ARG 331 6.610 5.374 16.388 134 HH12 ARG 331 2HH1 ARG 331 6.942 5.525 18.101 135 HH21 ARG 331 1HH2 ARG 331 8.934 8.391 17.712 136 HH22 ARG 331 2HH2 ARG 331 8.266 7.246 18.858 137 H ILE 332 H ILE 332 5.210 7.006 9.392 138 HA ILE 332 HA ILE 332 6.425 4.915 7.704 139 HB ILE 332 HB ILE 332 3.651 6.184 7.765 140 HG12 ILE 332 1HG1 ILE 332 4.510 3.404 8.504 141 HG13 ILE 332 2HG1 ILE 332 4.352 4.744 9.663 142 HG21 ILE 332 1HG2 ILE 332 2.998 4.394 6.192 143 HG22 ILE 332 2HG2 ILE 332 4.234 5.454 5.477 144 HG23 ILE 332 3HG2 ILE 332 4.691 3.853 6.103 145 HD11 ILE 332 3HD1 ILE 332 2.121 3.612 7.936 146 HD12 ILE 332 1HD1 ILE 332 2.345 3.315 9.676 147 HD13 ILE 332 2HD1 ILE 332 1.963 4.954 9.094 148 H ALA 333 H ALA 333 5.136 8.185 7.187 149 HA ALA 333 HA ALA 333 5.488 8.219 4.381 150 HB1 ALA 333 3HB ALA 333 5.728 10.513 6.358 151 HB2 ALA 333 1HB ALA 333 5.504 10.674 4.601 152 HB3 ALA 333 2HB ALA 333 4.227 9.937 5.597 153 H PHE 334 H PHE 334 7.788 8.871 6.989 154 HA PHE 334 HA PHE 334 9.872 9.943 5.321 155 HB2 PHE 334 1HB PHE 334 9.923 8.569 8.038 156 HB3 PHE 334 2HB PHE 334 11.357 9.280 7.267 157 HD1 PHE 334 HD1 PHE 334 9.177 11.466 6.093 158 HD2 PHE 334 HD2 PHE 334 10.610 10.140 9.893 159 HE1 PHE 334 HE1 PHE 334 8.616 13.666 7.071 160 HE2 PHE 334 HE2 PHE 334 10.047 12.338 10.875 161 HZ PHE 334 HZ PHE 334 9.052 14.102 9.462 162 H GLN 335 H GLN 335 8.865 6.671 6.062 163 HA GLN 335 HA GLN 335 11.292 5.439 5.013 164 HB2 GLN 335 1HB GLN 335 8.511 4.379 5.551 165 HB3 GLN 335 2HB GLN 335 9.883 3.381 5.013 166 HG2 GLN 335 1HG GLN 335 11.075 4.100 7.349 167 HG3 GLN 335 2HG GLN 335 9.525 4.972 7.398 168 HE21 GLN 335 2HE2 GLN 335 10.287 3.287 9.455 169 HE22 GLN 335 1HE2 GLN 335 9.273 1.882 9.459 170 H HIS 336 H HIS 336 8.534 6.872 3.604 171 HA HIS 336 HA HIS 336 9.006 5.423 1.035 172 HB2 HIS 336 1HB HIS 336 6.759 7.314 1.870 173 HB3 HIS 336 2HB HIS 336 6.889 6.487 0.300 174 HD2 HIS 336 HD2 HIS 336 5.029 5.922 3.570 175 HE1 HIS 336 HE1 HIS 336 5.734 2.092 1.874 176 H GLY 337 H GLY 337 10.120 8.090 2.628 177 HA2 GLY 337 1HA GLY 337 11.579 9.719 1.775 178 HA3 GLY 337 2HA GLY 337 11.119 9.249 0.121 179 H VAL 338 H VAL 338 8.613 9.849 2.451 180 HA VAL 338 HA VAL 338 7.936 12.420 1.029 181 HB VAL 338 HB VAL 338 6.132 10.461 2.512 182 HG11 VAL 338 1HG1 VAL 338 4.303 11.891 1.662 183 HG12 VAL 338 2HG1 VAL 338 5.399 12.814 2.717 184 HG13 VAL 338 3HG1 VAL 338 5.499 12.998 0.949 185 HG21 VAL 338 3HG2 VAL 338 6.873 9.552 0.392 186 HG22 VAL 338 1HG2 VAL 338 5.155 10.006 0.319 187 HG23 VAL 338 2HG2 VAL 338 6.383 11.046 -0.443 188 H THR 339 H THR 339 8.271 14.192 2.022 189 HA THR 339 HA THR 339 8.175 14.183 5.018 190 HB THR 339 HB THR 339 9.430 16.298 4.899 191 HG1 THR 339 HG1 THR 339 10.202 16.970 2.810 192 HG21 THR 339 1HG2 THR 339 11.563 15.414 4.022 193 HG22 THR 339 2HG2 THR 339 10.702 14.180 4.973 194 HG23 THR 339 3HG2 THR 339 10.683 14.108 3.195 195 H ASP 340 H ASP 340 6.527 15.209 2.203 196 HA ASP 340 HA ASP 340 5.069 17.369 3.597 197 HB2 ASP 340 1HB ASP 340 5.622 17.394 1.038 198 HB3 ASP 340 2HB ASP 340 4.486 16.022 1.042 199 H LEU 341 H LEU 341 4.385 15.986 5.364 200 HA LEU 341 HA LEU 341 2.512 13.841 4.932 201 HB2 LEU 341 1HB LEU 341 3.688 14.029 6.868 202 HB3 LEU 341 2HB LEU 341 3.084 15.632 7.351 203 HG LEU 341 HG LEU 341 0.804 14.663 7.582 204 HD11 LEU 341 1HD1 LEU 341 0.576 12.165 7.637 205 HD12 LEU 341 2HD1 LEU 341 1.102 12.732 6.034 206 HD13 LEU 341 3HD1 LEU 341 2.282 12.015 7.156 207 HD21 LEU 341 3HD2 LEU 341 2.220 14.909 9.534 208 HD22 LEU 341 1HD2 LEU 341 1.234 13.435 9.682 209 HD23 LEU 341 2HD2 LEU 341 2.954 13.315 9.239 210 H ARG 342 H ARG 342 2.130 17.331 5.325 211 HA ARG 342 HA ARG 342 -0.714 17.358 5.609 212 HB2 ARG 342 1HB ARG 342 1.171 19.387 4.509 213 HB3 ARG 342 2HB ARG 342 -0.582 19.635 4.676 214 HG2 ARG 342 1HG ARG 342 -0.425 19.322 7.089 215 HG3 ARG 342 2HG ARG 342 1.318 18.984 6.950 216 HD2 ARG 342 1HD ARG 342 1.680 21.244 6.149 217 HD3 ARG 342 2HD ARG 342 -0.059 21.576 6.321 218 HE ARG 342 HE ARG 342 0.918 20.864 8.938 219 HH11 ARG 342 1HH1 ARG 342 1.465 23.391 6.599 220 HH12 ARG 342 2HH1 ARG 342 1.831 24.516 7.891 221 HH21 ARG 342 1HH2 ARG 342 1.343 22.138 10.429 222 HH22 ARG 342 2HH2 ARG 342 1.763 23.803 10.076 223 H GLY 343 H GLY 343 1.343 17.335 2.716 224 HA2 GLY 343 1HA GLY 343 -0.761 17.553 0.806 225 HA3 GLY 343 2HA GLY 343 0.826 16.801 0.528 226 H MET 344 H MET 344 0.701 14.742 2.435 227 HA MET 344 HA MET 344 -0.843 12.752 1.019 228 HB2 MET 344 1HB MET 344 0.501 12.733 3.720 229 HB3 MET 344 2HB MET 344 -0.229 11.309 2.940 230 HG2 MET 344 1HG MET 344 2.105 12.936 1.885 231 HG3 MET 344 2HG MET 344 2.210 11.338 2.660 232 HE1 MET 344 3HE MET 344 2.419 13.078 -0.561 233 HE2 MET 344 1HE MET 344 1.305 12.277 -1.694 234 HE3 MET 344 2HE MET 344 0.661 13.321 -0.404 235 H LEU 345 H LEU 345 -1.418 14.651 3.937 236 HA LEU 345 HA LEU 345 -3.817 13.142 4.653 237 HB2 LEU 345 1HB LEU 345 -2.678 15.747 5.417 238 HB3 LEU 345 2HB LEU 345 -4.124 15.149 6.263 239 HG LEU 345 HG LEU 345 -1.367 13.859 6.254 240 HD11 LEU 345 1HD1 LEU 345 -1.382 14.436 8.695 241 HD12 LEU 345 2HD1 LEU 345 -1.519 15.894 7.685 242 HD13 LEU 345 3HD1 LEU 345 -2.962 15.224 8.484 243 HD21 LEU 345 3HD2 LEU 345 -3.121 12.185 6.298 244 HD22 LEU 345 1HD2 LEU 345 -2.323 12.270 7.887 245 HD23 LEU 345 2HD2 LEU 345 -3.921 13.018 7.653 246 H LYS 346 H LYS 346 -3.089 15.954 2.700 247 HA LYS 346 HA LYS 346 -5.869 16.724 2.315 248 HB2 LYS 346 1HB LYS 346 -3.317 17.216 0.789 249 HB3 LYS 346 2HB LYS 346 -4.902 17.806 0.234 250 HG2 LYS 346 1HG LYS 346 -5.148 19.119 2.290 251 HG3 LYS 346 2HG LYS 346 -3.584 18.507 2.880 252 HD2 LYS 346 1HD LYS 346 -2.464 19.542 0.930 253 HD3 LYS 346 2HD LYS 346 -4.031 20.191 0.392 254 HE2 LYS 346 1HE LYS 346 -4.226 21.474 2.472 255 HE3 LYS 346 2HE LYS 346 -2.674 20.811 3.034 256 HZ1 LYS 346 3HZ LYS 346 -3.050 22.509 0.651 257 HZ2 LYS 346 1HZ LYS 346 -2.415 23.004 2.091 258 HZ3 LYS 346 2HZ LYS 346 -1.611 21.894 1.173 259 H ARG 347 H ARG 347 -3.648 14.495 0.703 260 HA ARG 347 HA ARG 347 -5.579 13.782 -1.370 261 HB2 ARG 347 1HB ARG 347 -3.039 12.515 -0.463 262 HB3 ARG 347 2HB ARG 347 -4.093 11.851 -1.733 263 HG2 ARG 347 1HG ARG 347 -3.805 13.910 -3.046 264 HG3 ARG 347 2HG ARG 347 -2.745 14.570 -1.776 265 HD2 ARG 347 1HD ARG 347 -1.149 12.810 -2.183 266 HD3 ARG 347 2HD ARG 347 -2.211 12.127 -3.437 267 HE ARG 347 HE ARG 347 -1.544 14.793 -4.291 268 HH11 ARG 347 1HH1 ARG 347 0.172 11.831 -3.621 269 HH12 ARG 347 2HH1 ARG 347 1.379 12.253 -4.819 270 HH21 ARG 347 1HH2 ARG 347 -0.164 15.294 -5.659 271 HH22 ARG 347 2HH2 ARG 347 1.189 14.227 -5.982 272 H LEU 348 H LEU 348 -4.842 12.685 1.878 273 HA LEU 348 HA LEU 348 -6.440 10.259 1.681 274 HB2 LEU 348 1HB LEU 348 -4.733 10.418 3.178 275 HB3 LEU 348 2HB LEU 348 -5.332 11.841 4.060 276 HG LEU 348 HG LEU 348 -7.298 10.502 4.803 277 HD11 LEU 348 1HD1 LEU 348 -7.192 8.009 4.550 278 HD12 LEU 348 2HD1 LEU 348 -7.268 8.817 2.967 279 HD13 LEU 348 3HD1 LEU 348 -5.717 8.187 3.571 280 HD21 LEU 348 3HD2 LEU 348 -5.382 10.767 6.266 281 HD22 LEU 348 1HD2 LEU 348 -6.085 9.146 6.476 282 HD23 LEU 348 2HD2 LEU 348 -4.589 9.353 5.533 283 H LYS 349 H LYS 349 -7.012 13.486 3.096 284 HA LYS 349 HA LYS 349 -9.816 12.772 3.664 285 HB2 LYS 349 1HB LYS 349 -8.490 14.173 5.192 286 HB3 LYS 349 2HB LYS 349 -8.337 15.396 3.907 287 HG2 LYS 349 1HG LYS 349 -10.756 15.750 3.921 288 HG3 LYS 349 2HG LYS 349 -10.951 14.481 5.155 289 HD2 LYS 349 1HD LYS 349 -9.588 15.800 6.727 290 HD3 LYS 349 2HD LYS 349 -9.392 17.067 5.493 291 HE2 LYS 349 1HE LYS 349 -11.821 17.422 5.463 292 HE3 LYS 349 2HE LYS 349 -12.026 16.147 6.685 293 HZ1 LYS 349 3HZ LYS 349 -10.544 18.669 7.071 294 HZ2 LYS 349 1HZ LYS 349 -12.043 18.336 7.672 295 HZ3 LYS 349 2HZ LYS 349 -10.733 17.486 8.205 Start of MODEL 5 1 H GLU 315 1H GLU 315 2.227 -0.370 -0.937 2 HA GLU 315 HA GLU 315 0.374 1.444 -2.142 3 HB2 GLU 315 1HB GLU 315 0.879 0.849 0.778 4 HB3 GLU 315 2HB GLU 315 -0.537 1.707 0.120 5 HG2 GLU 315 1HG GLU 315 -1.179 -0.423 -1.127 6 HG3 GLU 315 2HG GLU 315 0.296 -1.115 -0.415 7 H ASP 316 H ASP 316 -0.144 3.584 -1.705 8 HA ASP 316 HA ASP 316 2.190 5.318 -1.376 9 HB2 ASP 316 1HB ASP 316 -0.800 5.961 -1.725 10 HB3 ASP 316 2HB ASP 316 0.565 7.073 -1.453 11 H VAL 317 H VAL 317 2.294 7.101 0.113 12 HA VAL 317 HA VAL 317 1.937 6.331 2.874 13 HB VAL 317 HB VAL 317 2.342 9.069 1.600 14 HG11 VAL 317 1HG1 VAL 317 3.000 9.791 3.872 15 HG12 VAL 317 2HG1 VAL 317 1.308 9.242 3.839 16 HG13 VAL 317 3HG1 VAL 317 2.574 8.184 4.506 17 HG21 VAL 317 3HG2 VAL 317 4.179 7.549 1.175 18 HG22 VAL 317 1HG2 VAL 317 4.659 8.812 2.332 19 HG23 VAL 317 2HG2 VAL 317 4.292 7.170 2.910 20 H TRP 318 H TRP 318 0.095 8.653 0.888 21 HA TRP 318 HA TRP 318 -1.778 9.299 2.943 22 HB2 TRP 318 1HB TRP 318 -3.135 10.244 1.165 23 HB3 TRP 318 2HB TRP 318 -1.430 10.568 0.772 24 HD1 TRP 318 HD1 TRP 318 -0.398 9.249 -1.142 25 HE1 TRP 318 HE1 TRP 318 -1.460 8.079 -3.336 26 HE3 TRP 318 HE3 TRP 318 -5.223 8.977 0.436 27 HZ2 TRP 318 HZ2 TRP 318 -3.983 7.242 -4.090 28 HZ3 TRP 318 HZ3 TRP 318 -6.916 8.015 -0.995 29 HH2 TRP 318 HH2 TRP 318 -6.371 7.143 -3.228 30 H GLU 319 H GLU 319 -1.636 6.607 0.692 31 HA GLU 319 HA GLU 319 -4.292 5.604 1.269 32 HB2 GLU 319 1HB GLU 319 -1.759 4.341 0.230 33 HB3 GLU 319 2HB GLU 319 -3.269 3.429 0.478 34 HG2 GLU 319 1HG GLU 319 -4.420 4.882 -1.223 35 HG3 GLU 319 2HG GLU 319 -2.920 5.838 -1.257 36 H ILE 320 H ILE 320 -1.070 4.874 2.607 37 HA ILE 320 HA ILE 320 -2.066 2.924 4.514 38 HB ILE 320 HB ILE 320 0.486 4.595 4.432 39 HG12 ILE 320 1HG1 ILE 320 0.106 1.658 3.935 40 HG13 ILE 320 2HG1 ILE 320 0.075 2.893 2.656 41 HG21 ILE 320 1HG2 ILE 320 1.328 3.063 6.181 42 HG22 ILE 320 2HG2 ILE 320 -0.084 3.980 6.757 43 HG23 ILE 320 3HG2 ILE 320 -0.268 2.281 6.265 44 HD11 ILE 320 3HD1 ILE 320 2.409 2.317 4.515 45 HD12 ILE 320 1HD1 ILE 320 2.291 1.828 2.809 46 HD13 ILE 320 2HD1 ILE 320 2.376 3.554 3.235 47 H LEU 321 H LEU 321 -1.790 6.406 4.555 48 HA LEU 321 HA LEU 321 -1.902 6.770 7.383 49 HB2 LEU 321 1HB LEU 321 -2.358 8.229 4.965 50 HB3 LEU 321 2HB LEU 321 -3.256 8.974 6.306 51 HG LEU 321 HG LEU 321 -1.313 9.563 7.458 52 HD11 LEU 321 1HD1 LEU 321 0.943 8.593 6.950 53 HD12 LEU 321 2HD1 LEU 321 -0.231 7.320 7.355 54 HD13 LEU 321 3HD1 LEU 321 0.214 7.612 5.657 55 HD21 LEU 321 3HD2 LEU 321 -1.554 10.910 5.456 56 HD22 LEU 321 1HD2 LEU 321 0.171 10.688 5.835 57 HD23 LEU 321 2HD2 LEU 321 -0.581 9.748 4.522 58 H ARG 322 H ARG 322 -4.358 5.883 5.088 59 HA ARG 322 HA ARG 322 -6.686 6.591 6.553 60 HB2 ARG 322 1HB ARG 322 -6.754 5.843 4.287 61 HB3 ARG 322 2HB ARG 322 -6.257 4.213 4.799 62 HG2 ARG 322 1HG ARG 322 -8.317 3.951 6.071 63 HG3 ARG 322 2HG ARG 322 -8.807 5.613 5.662 64 HD2 ARG 322 1HD ARG 322 -8.972 5.009 3.340 65 HD3 ARG 322 2HD ARG 322 -8.435 3.356 3.719 66 HE ARG 322 HE ARG 322 -10.898 3.848 5.168 67 HH11 ARG 322 1HH1 ARG 322 -9.822 3.497 1.870 68 HH12 ARG 322 2HH1 ARG 322 -11.387 2.848 1.422 69 HH21 ARG 322 1HH2 ARG 322 -12.699 3.116 4.669 70 HH22 ARG 322 2HH2 ARG 322 -13.030 2.631 3.017 71 H GLN 323 H GLN 323 -4.577 3.748 6.847 72 HA GLN 323 HA GLN 323 -6.345 2.781 9.061 73 HB2 GLN 323 1HB GLN 323 -4.309 1.330 7.356 74 HB3 GLN 323 2HB GLN 323 -5.249 0.609 8.683 75 HG2 GLN 323 1HG GLN 323 -7.439 1.149 7.152 76 HG3 GLN 323 2HG GLN 323 -6.087 1.762 6.172 77 HE21 GLN 323 2HE2 GLN 323 -7.720 0.019 4.972 78 HE22 GLN 323 1HE2 GLN 323 -6.986 -1.543 4.828 79 H ALA 324 H ALA 324 -3.381 4.268 8.443 80 HA ALA 324 HA ALA 324 -1.981 3.065 10.726 81 HB1 ALA 324 3HB ALA 324 -1.270 5.439 8.968 82 HB2 ALA 324 1HB ALA 324 -0.206 4.686 10.179 83 HB3 ALA 324 2HB ALA 324 -0.714 3.764 8.744 84 HA PRO 325 HA PRO 325 -3.293 6.062 13.720 85 HB2 PRO 325 1HB PRO 325 -1.279 5.799 15.555 86 HB3 PRO 325 2HB PRO 325 -2.427 4.474 15.317 87 HG2 PRO 325 1HG PRO 325 0.376 4.795 14.195 88 HG3 PRO 325 2HG PRO 325 -0.372 3.367 14.924 89 HD2 PRO 325 1HD PRO 325 -0.217 3.707 12.188 90 HD3 PRO 325 2HD PRO 325 -1.534 2.803 12.947 91 HA PRO 326 HA PRO 326 -1.561 9.849 12.618 92 HB2 PRO 326 1HB PRO 326 -1.883 10.562 15.565 93 HB3 PRO 326 2HB PRO 326 -2.478 11.436 14.147 94 HG2 PRO 326 1HG PRO 326 -4.189 10.015 15.616 95 HG3 PRO 326 2HG PRO 326 -4.324 9.978 13.853 96 HD2 PRO 326 1HD PRO 326 -3.153 7.876 15.717 97 HD3 PRO 326 2HD PRO 326 -4.125 7.648 14.257 98 H SER 327 H SER 327 -0.303 8.128 15.416 99 HA SER 327 HA SER 327 1.999 9.870 15.870 100 HB2 SER 327 1HB SER 327 2.737 8.306 17.359 101 HB3 SER 327 2HB SER 327 0.986 8.546 17.564 102 HG SER 327 HG SER 327 1.597 6.339 17.634 103 H GLU 328 H GLU 328 1.254 7.295 13.629 104 HA GLU 328 HA GLU 328 4.173 6.874 13.081 105 HB2 GLU 328 1HB GLU 328 1.767 5.126 12.546 106 HB3 GLU 328 2HB GLU 328 3.425 4.778 11.999 107 HG2 GLU 328 1HG GLU 328 4.137 4.684 14.461 108 HG3 GLU 328 2HG GLU 328 2.423 5.011 14.805 109 H TYR 329 H TYR 329 1.811 8.764 12.025 110 HA TYR 329 HA TYR 329 1.710 8.340 9.202 111 HB2 TYR 329 1HB TYR 329 1.450 10.757 10.974 112 HB3 TYR 329 2HB TYR 329 1.405 10.896 9.199 113 HD1 TYR 329 HD1 TYR 329 0.069 7.801 9.688 114 HD2 TYR 329 HD2 TYR 329 -0.928 11.882 10.424 115 HE1 TYR 329 HE1 TYR 329 -2.335 7.204 9.701 116 HE2 TYR 329 HE2 TYR 329 -3.331 11.303 10.441 117 HH TYR 329 HH TYR 329 -4.535 8.217 9.433 118 H GLU 330 H GLU 330 3.993 10.228 11.179 119 HA GLU 330 HA GLU 330 5.573 11.132 8.945 120 HB2 GLU 330 1HB GLU 330 6.194 10.737 11.873 121 HB3 GLU 330 2HB GLU 330 7.338 11.437 10.702 122 HG2 GLU 330 1HG GLU 330 5.734 13.346 10.303 123 HG3 GLU 330 2HG GLU 330 4.620 12.477 11.383 124 H ARG 331 H ARG 331 5.725 8.249 10.997 125 HA ARG 331 HA ARG 331 8.277 7.342 10.015 126 HB2 ARG 331 1HB ARG 331 6.035 5.925 11.369 127 HB3 ARG 331 2HB ARG 331 7.534 5.128 10.840 128 HG2 ARG 331 1HG ARG 331 8.840 6.643 12.275 129 HG3 ARG 331 2HG ARG 331 7.334 7.427 12.812 130 HD2 ARG 331 1HD ARG 331 6.612 5.399 13.851 131 HD3 ARG 331 2HD ARG 331 8.049 4.544 13.243 132 HE ARG 331 HE ARG 331 8.933 6.692 14.991 133 HH11 ARG 331 1HH1 ARG 331 7.254 3.642 15.190 134 HH12 ARG 331 2HH1 ARG 331 7.868 3.404 16.815 135 HH21 ARG 331 1HH2 ARG 331 9.638 6.437 16.853 136 HH22 ARG 331 2HH2 ARG 331 9.226 4.998 17.765 137 H ILE 332 H ILE 332 4.942 6.728 8.973 138 HA ILE 332 HA ILE 332 5.655 4.901 6.840 139 HB ILE 332 HB ILE 332 3.267 6.764 7.213 140 HG12 ILE 332 1HG1 ILE 332 3.407 5.066 8.886 141 HG13 ILE 332 2HG1 ILE 332 2.055 4.760 7.772 142 HG21 ILE 332 1HG2 ILE 332 2.195 5.442 5.420 143 HG22 ILE 332 2HG2 ILE 332 3.646 6.277 4.819 144 HG23 ILE 332 3HG2 ILE 332 3.709 4.536 5.182 145 HD11 ILE 332 3HD1 ILE 332 4.748 3.353 7.729 146 HD12 ILE 332 1HD1 ILE 332 3.226 2.669 8.345 147 HD13 ILE 332 2HD1 ILE 332 3.396 3.047 6.615 148 H ALA 333 H ALA 333 5.213 8.423 6.914 149 HA ALA 333 HA ALA 333 5.704 8.833 4.142 150 HB1 ALA 333 3HB ALA 333 6.330 10.649 6.498 151 HB2 ALA 333 1HB ALA 333 6.266 11.145 4.791 152 HB3 ALA 333 2HB ALA 333 4.791 10.577 5.608 153 H PHE 334 H PHE 334 7.911 8.454 6.877 154 HA PHE 334 HA PHE 334 10.292 9.305 5.517 155 HB2 PHE 334 1HB PHE 334 9.876 7.407 7.865 156 HB3 PHE 334 2HB PHE 334 11.464 7.988 7.313 157 HD1 PHE 334 HD1 PHE 334 9.862 10.765 6.614 158 HD2 PHE 334 HD2 PHE 334 10.635 8.355 10.056 159 HE1 PHE 334 HE1 PHE 334 9.636 12.758 8.058 160 HE2 PHE 334 HE2 PHE 334 10.408 10.346 11.504 161 HZ PHE 334 HZ PHE 334 9.910 12.549 10.503 162 H GLN 335 H GLN 335 8.573 6.239 5.595 163 HA GLN 335 HA GLN 335 10.772 4.687 4.514 164 HB2 GLN 335 1HB GLN 335 7.786 4.229 4.640 165 HB3 GLN 335 2HB GLN 335 8.948 3.041 4.005 166 HG2 GLN 335 1HG GLN 335 10.023 3.037 6.500 167 HG3 GLN 335 2HG GLN 335 8.719 4.242 6.622 168 HE21 GLN 335 2HE2 GLN 335 8.873 2.083 8.358 169 HE22 GLN 335 1HE2 GLN 335 7.562 0.996 8.042 170 H HIS 336 H HIS 336 8.388 6.776 3.130 171 HA HIS 336 HA HIS 336 8.942 5.649 0.415 172 HB2 HIS 336 1HB HIS 336 6.688 7.431 1.443 173 HB3 HIS 336 2HB HIS 336 6.927 6.997 -0.267 174 HD2 HIS 336 HD2 HIS 336 5.981 4.377 -0.987 175 HE1 HIS 336 HE1 HIS 336 4.670 3.456 2.947 176 H GLY 337 H GLY 337 10.096 7.970 2.425 177 HA2 GLY 337 1HA GLY 337 11.575 9.707 1.979 178 HA3 GLY 337 2HA GLY 337 11.402 9.371 0.241 179 H VAL 338 H VAL 338 8.584 9.893 2.237 180 HA VAL 338 HA VAL 338 7.974 12.376 0.681 181 HB VAL 338 HB VAL 338 6.251 10.664 2.522 182 HG11 VAL 338 1HG1 VAL 338 4.384 12.035 1.656 183 HG12 VAL 338 2HG1 VAL 338 5.574 13.042 2.515 184 HG13 VAL 338 3HG1 VAL 338 5.539 13.026 0.736 185 HG21 VAL 338 3HG2 VAL 338 6.810 9.506 0.470 186 HG22 VAL 338 1HG2 VAL 338 5.100 9.991 0.475 187 HG23 VAL 338 2HG2 VAL 338 6.280 10.909 -0.490 188 H THR 339 H THR 339 8.208 14.297 1.393 189 HA THR 339 HA THR 339 8.553 14.681 4.340 190 HB THR 339 HB THR 339 9.548 16.856 3.759 191 HG1 THR 339 HG1 THR 339 9.891 17.312 1.504 192 HG21 THR 339 1HG2 THR 339 11.587 16.045 2.627 193 HG22 THR 339 2HG2 THR 339 11.025 14.878 3.850 194 HG23 THR 339 3HG2 THR 339 10.722 14.574 2.123 195 H ASP 340 H ASP 340 6.489 15.402 1.645 196 HA ASP 340 HA ASP 340 5.007 17.470 3.156 197 HB2 ASP 340 1HB ASP 340 5.353 17.510 0.553 198 HB3 ASP 340 2HB ASP 340 4.291 16.084 0.658 199 H LEU 341 H LEU 341 4.675 15.895 4.942 200 HA LEU 341 HA LEU 341 2.790 13.740 4.615 201 HB2 LEU 341 1HB LEU 341 4.291 13.964 6.387 202 HB3 LEU 341 2HB LEU 341 3.509 15.395 7.098 203 HG LEU 341 HG LEU 341 1.432 14.019 7.407 204 HD11 LEU 341 1HD1 LEU 341 1.682 11.524 7.315 205 HD12 LEU 341 2HD1 LEU 341 1.952 12.262 5.717 206 HD13 LEU 341 3HD1 LEU 341 3.338 11.729 6.698 207 HD21 LEU 341 3HD2 LEU 341 2.941 14.434 9.260 208 HD22 LEU 341 1HD2 LEU 341 2.265 12.792 9.383 209 HD23 LEU 341 2HD2 LEU 341 3.932 13.028 8.806 210 H ARG 342 H ARG 342 2.424 17.192 5.229 211 HA ARG 342 HA ARG 342 -0.361 17.194 5.845 212 HB2 ARG 342 1HB ARG 342 1.313 19.259 4.491 213 HB3 ARG 342 2HB ARG 342 -0.384 19.474 4.981 214 HG2 ARG 342 1HG ARG 342 0.202 19.164 7.312 215 HG3 ARG 342 2HG ARG 342 1.887 18.793 6.872 216 HD2 ARG 342 1HD ARG 342 2.099 21.071 5.984 217 HD3 ARG 342 2HD ARG 342 0.459 21.415 6.582 218 HE ARG 342 HE ARG 342 1.994 20.638 8.879 219 HH11 ARG 342 1HH1 ARG 342 2.149 23.168 6.484 220 HH12 ARG 342 2HH1 ARG 342 2.870 24.247 7.662 221 HH21 ARG 342 1HH2 ARG 342 2.827 21.858 10.236 222 HH22 ARG 342 2HH2 ARG 342 3.259 23.500 9.802 223 H GLY 343 H GLY 343 1.305 17.334 2.702 224 HA2 GLY 343 1HA GLY 343 -1.059 17.638 1.131 225 HA3 GLY 343 2HA GLY 343 0.501 16.999 0.561 226 H MET 344 H MET 344 0.625 14.797 2.416 227 HA MET 344 HA MET 344 -0.864 12.822 0.933 228 HB2 MET 344 1HB MET 344 0.566 12.727 3.587 229 HB3 MET 344 2HB MET 344 -0.140 11.310 2.775 230 HG2 MET 344 1HG MET 344 2.057 13.077 1.651 231 HG3 MET 344 2HG MET 344 2.306 11.495 2.428 232 HE1 MET 344 3HE MET 344 2.185 13.244 -0.810 233 HE2 MET 344 1HE MET 344 1.084 12.339 -1.875 234 HE3 MET 344 2HE MET 344 0.425 13.327 -0.549 235 H LEU 345 H LEU 345 -1.374 14.335 4.109 236 HA LEU 345 HA LEU 345 -3.785 12.809 4.658 237 HB2 LEU 345 1HB LEU 345 -2.606 15.318 5.633 238 HB3 LEU 345 2HB LEU 345 -4.106 14.740 6.394 239 HG LEU 345 HG LEU 345 -1.446 13.263 6.351 240 HD11 LEU 345 1HD1 LEU 345 -1.411 13.748 8.812 241 HD12 LEU 345 2HD1 LEU 345 -1.419 15.249 7.857 242 HD13 LEU 345 3HD1 LEU 345 -2.916 14.680 8.634 243 HD21 LEU 345 3HD2 LEU 345 -3.340 11.749 6.339 244 HD22 LEU 345 1HD2 LEU 345 -2.538 11.705 7.928 245 HD23 LEU 345 2HD2 LEU 345 -4.065 12.599 7.725 246 H LYS 346 H LYS 346 -3.086 15.845 3.031 247 HA LYS 346 HA LYS 346 -5.866 16.645 2.767 248 HB2 LYS 346 1HB LYS 346 -3.339 17.344 1.275 249 HB3 LYS 346 2HB LYS 346 -4.933 18.024 0.868 250 HG2 LYS 346 1HG LYS 346 -5.101 19.018 3.100 251 HG3 LYS 346 2HG LYS 346 -3.535 18.302 3.550 252 HD2 LYS 346 1HD LYS 346 -2.435 19.607 1.764 253 HD3 LYS 346 2HD LYS 346 -4.003 20.339 1.347 254 HE2 LYS 346 1HE LYS 346 -4.157 21.307 3.597 255 HE3 LYS 346 2HE LYS 346 -2.602 20.561 4.030 256 HZ1 LYS 346 3HZ LYS 346 -3.004 22.589 1.925 257 HZ2 LYS 346 1HZ LYS 346 -2.341 22.867 3.409 258 HZ3 LYS 346 2HZ LYS 346 -1.561 21.898 2.326 259 H ARG 347 H ARG 347 -3.693 14.588 0.910 260 HA ARG 347 HA ARG 347 -5.580 14.251 -1.297 261 HB2 ARG 347 1HB ARG 347 -3.204 14.011 -1.607 262 HB3 ARG 347 2HB ARG 347 -3.220 12.585 -0.544 263 HG2 ARG 347 1HG ARG 347 -4.596 11.362 -2.098 264 HG3 ARG 347 2HG ARG 347 -4.808 12.808 -3.115 265 HD2 ARG 347 1HD ARG 347 -2.449 12.775 -3.649 266 HD3 ARG 347 2HD ARG 347 -2.242 11.326 -2.638 267 HE ARG 347 HE ARG 347 -4.143 10.751 -4.785 268 HH11 ARG 347 1HH1 ARG 347 -0.733 11.261 -4.265 269 HH12 ARG 347 2HH1 ARG 347 -0.363 10.228 -5.632 270 HH21 ARG 347 1HH2 ARG 347 -3.736 9.572 -6.357 271 HH22 ARG 347 2HH2 ARG 347 -2.075 9.265 -6.826 272 H LEU 348 H LEU 348 -4.866 12.554 1.716 273 HA LEU 348 HA LEU 348 -6.620 10.318 1.189 274 HB2 LEU 348 1HB LEU 348 -4.972 10.161 2.733 275 HB3 LEU 348 2HB LEU 348 -5.482 11.516 3.767 276 HG LEU 348 HG LEU 348 -7.573 10.251 4.297 277 HD11 LEU 348 1HD1 LEU 348 -7.611 7.795 3.785 278 HD12 LEU 348 2HD1 LEU 348 -7.577 8.765 2.295 279 HD13 LEU 348 3HD1 LEU 348 -6.092 7.977 2.878 280 HD21 LEU 348 3HD2 LEU 348 -5.703 10.240 5.839 281 HD22 LEU 348 1HD2 LEU 348 -6.511 8.654 5.854 282 HD23 LEU 348 2HD2 LEU 348 -4.970 8.860 4.986 283 H LYS 349 H LYS 349 -7.082 13.339 3.037 284 HA LYS 349 HA LYS 349 -9.938 12.673 3.409 285 HB2 LYS 349 1HB LYS 349 -8.604 13.674 5.218 286 HB3 LYS 349 2HB LYS 349 -8.332 15.109 4.200 287 HG2 LYS 349 1HG LYS 349 -10.730 15.597 4.209 288 HG3 LYS 349 2HG LYS 349 -11.039 14.133 5.174 289 HD2 LYS 349 1HD LYS 349 -9.675 15.048 7.006 290 HD3 LYS 349 2HD LYS 349 -9.358 16.509 6.042 291 HE2 LYS 349 1HE LYS 349 -11.755 17.022 6.010 292 HE3 LYS 349 2HE LYS 349 -12.089 15.549 6.949 293 HZ1 LYS 349 3HZ LYS 349 -10.482 17.843 7.874 294 HZ2 LYS 349 1HZ LYS 349 -12.024 17.500 8.348 295 HZ3 LYS 349 2HZ LYS 349 -10.792 16.478 8.745 Start of MODEL 6 1 H GLU 315 1H GLU 315 0.067 -0.957 -1.464 2 HA GLU 315 HA GLU 315 -1.764 1.024 -2.412 3 HB2 GLU 315 1HB GLU 315 -0.604 0.607 0.347 4 HB3 GLU 315 2HB GLU 315 -1.991 1.652 -0.045 5 HG2 GLU 315 1HG GLU 315 -3.257 -0.425 -0.826 6 HG3 GLU 315 2HG GLU 315 -1.777 -1.309 -0.393 7 H ASP 316 H ASP 316 -1.856 3.269 -2.014 8 HA ASP 316 HA ASP 316 0.697 4.619 -2.525 9 HB2 ASP 316 1HB ASP 316 -1.860 5.255 -3.301 10 HB3 ASP 316 2HB ASP 316 -1.708 6.020 -1.699 11 H VAL 317 H VAL 317 1.183 6.667 -1.301 12 HA VAL 317 HA VAL 317 1.910 5.930 1.395 13 HB VAL 317 HB VAL 317 1.820 8.645 0.016 14 HG11 VAL 317 1HG1 VAL 317 3.291 9.394 1.856 15 HG12 VAL 317 2HG1 VAL 317 1.708 8.869 2.475 16 HG13 VAL 317 3HG1 VAL 317 3.124 7.803 2.636 17 HG21 VAL 317 3HG2 VAL 317 3.350 7.090 -1.040 18 HG22 VAL 317 1HG2 VAL 317 4.240 8.366 -0.176 19 HG23 VAL 317 2HG2 VAL 317 4.107 6.739 0.532 20 H TRP 318 H TRP 318 -0.600 8.156 0.193 21 HA TRP 318 HA TRP 318 -1.530 8.699 2.910 22 HB2 TRP 318 1HB TRP 318 -3.349 9.937 1.757 23 HB3 TRP 318 2HB TRP 318 -1.753 10.391 1.114 24 HD1 TRP 318 HD1 TRP 318 -1.229 9.812 -1.247 25 HE1 TRP 318 HE1 TRP 318 -2.707 9.059 -3.381 26 HE3 TRP 318 HE3 TRP 318 -5.459 8.471 1.231 27 HZ2 TRP 318 HZ2 TRP 318 -5.260 8.069 -3.753 28 HZ3 TRP 318 HZ3 TRP 318 -7.371 7.642 0.007 29 HH2 TRP 318 HH2 TRP 318 -7.337 7.419 -2.440 30 H GLU 319 H GLU 319 -2.210 6.313 0.484 31 HA GLU 319 HA GLU 319 -4.682 5.370 1.700 32 HB2 GLU 319 1HB GLU 319 -2.645 4.090 -0.123 33 HB3 GLU 319 2HB GLU 319 -4.126 3.276 0.436 34 HG2 GLU 319 1HG GLU 319 -5.500 5.074 -0.726 35 HG3 GLU 319 2HG GLU 319 -3.934 5.798 -1.156 36 H ILE 320 H ILE 320 -1.249 4.747 2.208 37 HA ILE 320 HA ILE 320 -1.714 2.724 4.273 38 HB ILE 320 HB ILE 320 0.665 4.524 3.636 39 HG12 ILE 320 1HG1 ILE 320 0.372 1.557 3.293 40 HG13 ILE 320 2HG1 ILE 320 -0.001 2.742 2.019 41 HG21 ILE 320 1HG2 ILE 320 1.933 3.100 5.208 42 HG22 ILE 320 2HG2 ILE 320 0.617 3.958 6.042 43 HG23 ILE 320 3HG2 ILE 320 0.437 2.235 5.633 44 HD11 ILE 320 3HD1 ILE 320 2.698 2.367 3.364 45 HD12 ILE 320 1HD1 ILE 320 2.262 1.812 1.732 46 HD13 ILE 320 2HD1 ILE 320 2.325 3.553 2.092 47 H LEU 321 H LEU 321 -1.307 6.236 4.267 48 HA LEU 321 HA LEU 321 -1.291 6.530 7.117 49 HB2 LEU 321 1HB LEU 321 -2.275 8.234 4.924 50 HB3 LEU 321 2HB LEU 321 -2.076 8.914 6.555 51 HG LEU 321 HG LEU 321 0.132 7.838 4.758 52 HD11 LEU 321 1HD1 LEU 321 0.913 10.223 4.739 53 HD12 LEU 321 2HD1 LEU 321 -0.727 10.075 4.066 54 HD13 LEU 321 3HD1 LEU 321 -0.497 10.676 5.726 55 HD21 LEU 321 3HD2 LEU 321 0.588 7.359 7.090 56 HD22 LEU 321 1HD2 LEU 321 1.679 8.639 6.509 57 HD23 LEU 321 2HD2 LEU 321 0.281 9.055 7.529 58 H ARG 322 H ARG 322 -3.862 5.925 4.848 59 HA ARG 322 HA ARG 322 -6.104 6.686 6.410 60 HB2 ARG 322 1HB ARG 322 -6.250 5.993 4.116 61 HB3 ARG 322 2HB ARG 322 -5.862 4.325 4.597 62 HG2 ARG 322 1HG ARG 322 -7.911 4.186 5.900 63 HG3 ARG 322 2HG ARG 322 -8.285 5.889 5.540 64 HD2 ARG 322 1HD ARG 322 -8.560 5.362 3.217 65 HD3 ARG 322 2HD ARG 322 -8.110 3.669 3.528 66 HE ARG 322 HE ARG 322 -10.499 4.245 5.063 67 HH11 ARG 322 1HH1 ARG 322 -9.542 3.976 1.721 68 HH12 ARG 322 2HH1 ARG 322 -11.156 3.441 1.295 69 HH21 ARG 322 1HH2 ARG 322 -12.354 3.644 4.591 70 HH22 ARG 322 2HH2 ARG 322 -12.762 3.253 2.931 71 H GLN 323 H GLN 323 -4.046 3.818 6.629 72 HA GLN 323 HA GLN 323 -5.840 2.749 8.764 73 HB2 GLN 323 1HB GLN 323 -3.561 1.467 7.240 74 HB3 GLN 323 2HB GLN 323 -4.577 0.670 8.464 75 HG2 GLN 323 1HG GLN 323 -5.596 1.504 5.611 76 HG3 GLN 323 2HG GLN 323 -5.159 0.005 6.466 77 HE21 GLN 323 2HE2 GLN 323 -7.677 1.973 5.538 78 HE22 GLN 323 1HE2 GLN 323 -8.874 1.463 6.682 79 H ALA 324 H ALA 324 -2.637 4.009 8.178 80 HA ALA 324 HA ALA 324 -1.423 2.996 10.573 81 HB1 ALA 324 3HB ALA 324 -0.756 5.470 8.941 82 HB2 ALA 324 1HB ALA 324 0.288 4.723 10.173 83 HB3 ALA 324 2HB ALA 324 -0.104 3.835 8.682 84 HA PRO 325 HA PRO 325 -3.076 5.649 13.738 85 HB2 PRO 325 1HB PRO 325 -0.313 5.391 14.930 86 HB3 PRO 325 2HB PRO 325 -1.869 4.953 15.651 87 HG2 PRO 325 1HG PRO 325 -0.198 3.031 14.830 88 HG3 PRO 325 2HG PRO 325 -1.938 2.854 14.567 89 HD2 PRO 325 1HD PRO 325 0.207 3.716 12.568 90 HD3 PRO 325 2HD PRO 325 -1.124 2.576 12.335 91 HA PRO 326 HA PRO 326 -1.759 9.592 12.562 92 HB2 PRO 326 1HB PRO 326 -2.447 11.002 14.873 93 HB3 PRO 326 2HB PRO 326 -3.659 10.464 13.702 94 HG2 PRO 326 1HG PRO 326 -2.806 9.154 16.304 95 HG3 PRO 326 2HG PRO 326 -4.437 9.398 15.664 96 HD2 PRO 326 1HD PRO 326 -3.231 6.978 15.430 97 HD3 PRO 326 2HD PRO 326 -4.244 7.588 14.116 98 H SER 327 H SER 327 -0.530 8.080 15.448 99 HA SER 327 HA SER 327 1.607 10.045 15.951 100 HB2 SER 327 1HB SER 327 2.389 8.608 17.535 101 HB3 SER 327 2HB SER 327 0.620 8.726 17.670 102 HG SER 327 HG SER 327 2.170 6.594 16.650 103 H GLU 328 H GLU 328 1.081 7.404 13.751 104 HA GLU 328 HA GLU 328 4.018 6.940 13.439 105 HB2 GLU 328 1HB GLU 328 1.678 5.391 12.320 106 HB3 GLU 328 2HB GLU 328 3.399 4.941 12.247 107 HG2 GLU 328 1HG GLU 328 1.601 4.947 14.738 108 HG3 GLU 328 2HG GLU 328 2.406 3.623 13.865 109 H TYR 329 H TYR 329 1.799 8.974 12.220 110 HA TYR 329 HA TYR 329 1.952 8.591 9.390 111 HB2 TYR 329 1HB TYR 329 1.426 10.963 11.164 112 HB3 TYR 329 2HB TYR 329 1.519 11.127 9.394 113 HD1 TYR 329 HD1 TYR 329 0.301 7.961 9.761 114 HD2 TYR 329 HD2 TYR 329 -0.951 11.985 10.409 115 HE1 TYR 329 HE1 TYR 329 -2.064 7.246 9.571 116 HE2 TYR 329 HE2 TYR 329 -3.316 11.289 10.222 117 HH TYR 329 HH TYR 329 -4.278 8.150 9.121 118 H GLU 330 H GLU 330 4.108 10.218 11.654 119 HA GLU 330 HA GLU 330 5.782 11.446 9.648 120 HB2 GLU 330 1HB GLU 330 6.282 10.582 12.497 121 HB3 GLU 330 2HB GLU 330 7.481 11.433 11.494 122 HG2 GLU 330 1HG GLU 330 5.923 13.415 11.344 123 HG3 GLU 330 2HG GLU 330 4.753 12.410 12.231 124 H ARG 331 H ARG 331 5.873 8.295 11.281 125 HA ARG 331 HA ARG 331 8.428 7.548 10.118 126 HB2 ARG 331 1HB ARG 331 6.311 5.978 11.505 127 HB3 ARG 331 2HB ARG 331 7.795 5.266 10.829 128 HG2 ARG 331 1HG ARG 331 9.155 6.681 12.293 129 HG3 ARG 331 2HG ARG 331 7.681 7.426 12.956 130 HD2 ARG 331 1HD ARG 331 7.011 5.311 13.885 131 HD3 ARG 331 2HD ARG 331 8.454 4.536 13.190 132 HE ARG 331 HE ARG 331 9.379 6.579 15.008 133 HH11 ARG 331 1HH1 ARG 331 7.583 3.595 15.179 134 HH12 ARG 331 2HH1 ARG 331 8.200 3.309 16.794 135 HH21 ARG 331 1HH2 ARG 331 10.088 6.271 16.860 136 HH22 ARG 331 2HH2 ARG 331 9.628 4.836 17.754 137 H ILE 332 H ILE 332 5.051 7.079 9.201 138 HA ILE 332 HA ILE 332 5.584 5.320 6.963 139 HB ILE 332 HB ILE 332 3.323 7.302 7.489 140 HG12 ILE 332 1HG1 ILE 332 3.419 5.556 9.112 141 HG13 ILE 332 2HG1 ILE 332 2.016 5.353 8.038 142 HG21 ILE 332 1HG2 ILE 332 2.113 6.093 5.704 143 HG22 ILE 332 2HG2 ILE 332 3.588 6.859 5.072 144 HG23 ILE 332 3HG2 ILE 332 3.561 5.109 5.388 145 HD11 ILE 332 3HD1 ILE 332 4.623 3.802 7.871 146 HD12 ILE 332 1HD1 ILE 332 3.087 3.188 8.522 147 HD13 ILE 332 2HD1 ILE 332 3.221 3.599 6.796 148 H ALA 333 H ALA 333 5.335 8.857 7.195 149 HA ALA 333 HA ALA 333 5.927 9.342 4.444 150 HB1 ALA 333 3HB ALA 333 6.556 11.033 6.887 151 HB2 ALA 333 1HB ALA 333 6.585 11.593 5.199 152 HB3 ALA 333 2HB ALA 333 5.051 11.078 5.940 153 H PHE 334 H PHE 334 8.034 8.926 7.275 154 HA PHE 334 HA PHE 334 10.488 9.520 5.879 155 HB2 PHE 334 1HB PHE 334 9.952 7.885 8.397 156 HB3 PHE 334 2HB PHE 334 11.564 8.374 7.826 157 HD1 PHE 334 HD1 PHE 334 10.033 11.109 6.841 158 HD2 PHE 334 HD2 PHE 334 10.710 9.017 10.504 159 HE1 PHE 334 HE1 PHE 334 9.835 13.233 8.090 160 HE2 PHE 334 HE2 PHE 334 10.510 11.139 11.756 161 HZ PHE 334 HZ PHE 334 10.073 13.248 10.548 162 H GLN 335 H GLN 335 8.528 6.635 6.165 163 HA GLN 335 HA GLN 335 10.539 4.764 5.297 164 HB2 GLN 335 1HB GLN 335 8.392 4.179 6.404 165 HB3 GLN 335 2HB GLN 335 7.539 4.670 4.922 166 HG2 GLN 335 1HG GLN 335 7.834 2.104 4.703 167 HG3 GLN 335 2HG GLN 335 8.866 3.184 3.738 168 HE21 GLN 335 2HE2 GLN 335 10.406 1.525 3.450 169 HE22 GLN 335 1HE2 GLN 335 11.471 1.044 4.728 170 H HIS 336 H HIS 336 8.429 6.978 3.586 171 HA HIS 336 HA HIS 336 9.252 5.716 0.998 172 HB2 HIS 336 1HB HIS 336 6.911 7.564 1.652 173 HB3 HIS 336 2HB HIS 336 7.304 6.935 0.034 174 HD2 HIS 336 HD2 HIS 336 6.520 4.179 -0.419 175 HE1 HIS 336 HE1 HIS 336 4.623 3.845 3.368 176 H GLY 337 H GLY 337 9.969 8.286 3.016 177 HA2 GLY 337 1HA GLY 337 11.549 9.968 2.636 178 HA3 GLY 337 2HA GLY 337 11.568 9.543 0.909 179 H VAL 338 H VAL 338 8.540 10.102 2.549 180 HA VAL 338 HA VAL 338 7.958 12.390 0.758 181 HB VAL 338 HB VAL 338 6.293 11.026 2.915 182 HG11 VAL 338 1HG1 VAL 338 4.405 12.262 1.905 183 HG12 VAL 338 2HG1 VAL 338 5.633 13.379 2.544 184 HG13 VAL 338 3HG1 VAL 338 5.531 13.075 0.793 185 HG21 VAL 338 3HG2 VAL 338 6.767 9.542 1.059 186 HG22 VAL 338 1HG2 VAL 338 5.060 10.044 1.047 187 HG23 VAL 338 2HG2 VAL 338 6.211 10.777 -0.096 188 H THR 339 H THR 339 8.260 14.393 1.131 189 HA THR 339 HA THR 339 8.817 15.260 3.929 190 HB THR 339 HB THR 339 9.608 17.355 2.914 191 HG1 THR 339 HG1 THR 339 9.653 17.475 0.591 192 HG21 THR 339 1HG2 THR 339 11.542 16.462 1.664 193 HG22 THR 339 2HG2 THR 339 11.200 15.475 3.105 194 HG23 THR 339 3HG2 THR 339 10.711 14.898 1.495 195 H ASP 340 H ASP 340 6.413 15.461 1.436 196 HA ASP 340 HA ASP 340 4.953 17.568 2.965 197 HB2 ASP 340 1HB ASP 340 5.223 17.646 0.337 198 HB3 ASP 340 2HB ASP 340 4.177 16.211 0.473 199 H LEU 341 H LEU 341 4.780 15.903 4.711 200 HA LEU 341 HA LEU 341 3.010 13.668 4.412 201 HB2 LEU 341 1HB LEU 341 4.429 13.816 6.166 202 HB3 LEU 341 2HB LEU 341 3.827 15.351 6.836 203 HG LEU 341 HG LEU 341 1.643 14.215 7.306 204 HD11 LEU 341 1HD1 LEU 341 1.618 11.706 7.304 205 HD12 LEU 341 2HD1 LEU 341 1.882 12.351 5.668 206 HD13 LEU 341 3HD1 LEU 341 3.253 11.707 6.602 207 HD21 LEU 341 3HD2 LEU 341 3.281 14.528 9.066 208 HD22 LEU 341 1HD2 LEU 341 2.441 12.976 9.290 209 HD23 LEU 341 2HD2 LEU 341 4.091 13.007 8.623 210 H ARG 342 H ARG 342 2.418 17.072 5.187 211 HA ARG 342 HA ARG 342 -0.375 16.741 5.813 212 HB2 ARG 342 1HB ARG 342 1.218 19.108 4.959 213 HB3 ARG 342 2HB ARG 342 -0.530 19.156 5.287 214 HG2 ARG 342 1HG ARG 342 -0.127 18.401 7.586 215 HG3 ARG 342 2HG ARG 342 1.623 18.336 7.261 216 HD2 ARG 342 1HD ARG 342 1.663 20.716 6.922 217 HD3 ARG 342 2HD ARG 342 -0.095 20.797 7.189 218 HE ARG 342 HE ARG 342 1.114 19.755 9.606 219 HH11 ARG 342 1HH1 ARG 342 1.089 22.723 7.775 220 HH12 ARG 342 2HH1 ARG 342 1.338 23.641 9.247 221 HH21 ARG 342 1HH2 ARG 342 1.407 20.792 11.300 222 HH22 ARG 342 2HH2 ARG 342 1.519 22.541 11.258 223 H GLY 343 H GLY 343 1.358 17.340 2.785 224 HA2 GLY 343 1HA GLY 343 -0.931 17.726 1.133 225 HA3 GLY 343 2HA GLY 343 0.649 17.112 0.597 226 H MET 344 H MET 344 0.815 14.778 2.128 227 HA MET 344 HA MET 344 -0.852 12.932 0.669 228 HB2 MET 344 1HB MET 344 0.774 12.620 3.192 229 HB3 MET 344 2HB MET 344 -0.002 11.283 2.308 230 HG2 MET 344 1HG MET 344 2.133 13.126 1.190 231 HG3 MET 344 2HG MET 344 2.423 11.488 1.823 232 HE1 MET 344 3HE MET 344 3.671 11.242 -0.665 233 HE2 MET 344 1HE MET 344 2.773 11.377 -2.196 234 HE3 MET 344 2HE MET 344 3.047 12.825 -1.195 235 H LEU 345 H LEU 345 -1.147 14.468 3.827 236 HA LEU 345 HA LEU 345 -3.432 12.831 4.618 237 HB2 LEU 345 1HB LEU 345 -2.274 15.387 5.506 238 HB3 LEU 345 2HB LEU 345 -3.632 14.692 6.420 239 HG LEU 345 HG LEU 345 -0.871 13.462 6.056 240 HD11 LEU 345 1HD1 LEU 345 -0.679 13.819 8.532 241 HD12 LEU 345 2HD1 LEU 345 -0.924 15.358 7.675 242 HD13 LEU 345 3HD1 LEU 345 -2.283 14.589 8.530 243 HD21 LEU 345 3HD2 LEU 345 -2.592 11.755 6.100 244 HD22 LEU 345 1HD2 LEU 345 -1.658 11.715 7.614 245 HD23 LEU 345 2HD2 LEU 345 -3.281 12.446 7.588 246 H LYS 346 H LYS 346 -2.971 15.809 2.846 247 HA LYS 346 HA LYS 346 -5.811 16.472 2.762 248 HB2 LYS 346 1HB LYS 346 -3.431 17.222 1.067 249 HB3 LYS 346 2HB LYS 346 -5.084 17.789 0.734 250 HG2 LYS 346 1HG LYS 346 -5.159 18.877 2.940 251 HG3 LYS 346 2HG LYS 346 -3.509 18.306 3.279 252 HD2 LYS 346 1HD LYS 346 -2.683 19.586 1.328 253 HD3 LYS 346 2HD LYS 346 -4.333 20.188 1.042 254 HE2 LYS 346 1HE LYS 346 -4.338 21.252 3.252 255 HE3 LYS 346 2HE LYS 346 -2.698 20.638 3.558 256 HZ1 LYS 346 3HZ LYS 346 -3.451 22.527 1.420 257 HZ2 LYS 346 1HZ LYS 346 -2.668 22.923 2.817 258 HZ3 LYS 346 2HZ LYS 346 -1.928 21.957 1.703 259 H ARG 347 H ARG 347 -3.621 14.513 0.790 260 HA ARG 347 HA ARG 347 -5.617 13.811 -1.187 261 HB2 ARG 347 1HB ARG 347 -3.084 12.481 -0.350 262 HB3 ARG 347 2HB ARG 347 -4.167 11.871 -1.622 263 HG2 ARG 347 1HG ARG 347 -3.832 13.884 -2.934 264 HG3 ARG 347 2HG ARG 347 -2.854 14.605 -1.632 265 HD2 ARG 347 1HD ARG 347 -1.175 12.895 -1.948 266 HD3 ARG 347 2HD ARG 347 -2.153 12.176 -3.250 267 HE ARG 347 HE ARG 347 -1.535 14.871 -4.062 268 HH11 ARG 347 1HH1 ARG 347 0.219 11.940 -3.362 269 HH12 ARG 347 2HH1 ARG 347 1.457 12.397 -4.516 270 HH21 ARG 347 1HH2 ARG 347 -0.122 15.413 -5.380 271 HH22 ARG 347 2HH2 ARG 347 1.264 14.379 -5.667 272 H LEU 348 H LEU 348 -4.725 12.507 1.971 273 HA LEU 348 HA LEU 348 -6.488 10.218 1.821 274 HB2 LEU 348 1HB LEU 348 -4.752 10.277 3.285 275 HB3 LEU 348 2HB LEU 348 -5.249 11.736 4.174 276 HG LEU 348 HG LEU 348 -7.275 10.515 4.962 277 HD11 LEU 348 1HD1 LEU 348 -7.316 8.019 4.718 278 HD12 LEU 348 2HD1 LEU 348 -7.377 8.826 3.132 279 HD13 LEU 348 3HD1 LEU 348 -5.853 8.109 3.709 280 HD21 LEU 348 3HD2 LEU 348 -5.317 10.676 6.385 281 HD22 LEU 348 1HD2 LEU 348 -6.108 9.098 6.616 282 HD23 LEU 348 2HD2 LEU 348 -4.621 9.216 5.642 283 H LYS 349 H LYS 349 -6.878 13.483 3.201 284 HA LYS 349 HA LYS 349 -9.559 13.101 4.119 285 HB2 LYS 349 1HB LYS 349 -8.085 14.974 4.752 286 HB3 LYS 349 2HB LYS 349 -8.230 15.617 3.099 287 HG2 LYS 349 1HG LYS 349 -10.623 15.970 3.409 288 HG3 LYS 349 2HG LYS 349 -10.544 15.237 5.028 289 HD2 LYS 349 1HD LYS 349 -9.038 17.031 5.777 290 HD3 LYS 349 2HD LYS 349 -9.097 17.761 4.154 291 HE2 LYS 349 1HE LYS 349 -11.516 18.100 4.387 292 HE3 LYS 349 2HE LYS 349 -11.469 17.356 6.002 293 HZ1 LYS 349 3HZ LYS 349 -10.075 19.834 5.214 294 HZ2 LYS 349 1HZ LYS 349 -11.448 19.755 6.126 295 HZ3 LYS 349 2HZ LYS 349 -10.032 19.145 6.713 Start of MODEL 7 1 H GLU 315 1H GLU 315 0.248 -0.941 -2.818 2 HA GLU 315 HA GLU 315 -1.876 0.972 -2.756 3 HB2 GLU 315 1HB GLU 315 -0.021 0.063 -0.549 4 HB3 GLU 315 2HB GLU 315 -1.532 0.977 -0.325 5 HG2 GLU 315 1HG GLU 315 -2.813 -1.002 -1.292 6 HG3 GLU 315 2HG GLU 315 -1.216 -1.759 -1.486 7 H ASP 316 H ASP 316 -2.035 3.075 -2.248 8 HA ASP 316 HA ASP 316 0.323 4.733 -2.728 9 HB2 ASP 316 1HB ASP 316 -2.551 5.467 -1.908 10 HB3 ASP 316 2HB ASP 316 -1.138 6.527 -2.131 11 H VAL 317 H VAL 317 1.062 6.419 -1.322 12 HA VAL 317 HA VAL 317 1.777 5.436 1.304 13 HB VAL 317 HB VAL 317 1.876 8.240 0.117 14 HG11 VAL 317 1HG1 VAL 317 3.432 8.740 1.971 15 HG12 VAL 317 2HG1 VAL 317 1.824 8.294 2.588 16 HG13 VAL 317 3HG1 VAL 317 3.156 7.115 2.641 17 HG21 VAL 317 3HG2 VAL 317 3.262 6.655 -1.081 18 HG22 VAL 317 1HG2 VAL 317 4.263 7.793 -0.149 19 HG23 VAL 317 2HG2 VAL 317 4.016 6.133 0.446 20 H TRP 318 H TRP 318 -0.516 7.993 0.335 21 HA TRP 318 HA TRP 318 -1.496 8.384 3.022 22 HB2 TRP 318 1HB TRP 318 -3.302 9.645 1.951 23 HB3 TRP 318 2HB TRP 318 -1.761 10.048 1.157 24 HD1 TRP 318 HD1 TRP 318 -1.495 9.482 -1.230 25 HE1 TRP 318 HE1 TRP 318 -3.155 8.657 -3.197 26 HE3 TRP 318 HE3 TRP 318 -5.419 8.065 1.673 27 HZ2 TRP 318 HZ2 TRP 318 -5.702 7.592 -3.301 28 HZ3 TRP 318 HZ3 TRP 318 -7.419 7.167 0.655 29 HH2 TRP 318 HH2 TRP 318 -7.619 6.905 -1.780 30 H GLU 319 H GLU 319 -2.267 6.100 0.487 31 HA GLU 319 HA GLU 319 -4.716 5.113 1.657 32 HB2 GLU 319 1HB GLU 319 -4.004 4.676 -0.656 33 HB3 GLU 319 2HB GLU 319 -2.651 3.698 -0.038 34 HG2 GLU 319 1HG GLU 319 -4.339 2.076 0.961 35 HG3 GLU 319 2HG GLU 319 -5.574 3.187 0.326 36 H ILE 320 H ILE 320 -1.302 4.189 2.056 37 HA ILE 320 HA ILE 320 -1.845 2.188 4.095 38 HB ILE 320 HB ILE 320 0.629 3.852 3.447 39 HG12 ILE 320 1HG1 ILE 320 0.117 0.924 3.023 40 HG13 ILE 320 2HG1 ILE 320 -0.184 2.177 1.796 41 HG21 ILE 320 1HG2 ILE 320 1.846 2.302 4.939 42 HG22 ILE 320 2HG2 ILE 320 0.612 3.218 5.836 43 HG23 ILE 320 3HG2 ILE 320 0.310 1.523 5.385 44 HD11 ILE 320 3HD1 ILE 320 2.499 1.549 3.078 45 HD12 ILE 320 1HD1 ILE 320 1.995 1.084 1.437 46 HD13 ILE 320 2HD1 ILE 320 2.199 2.803 1.852 47 H LEU 321 H LEU 321 -1.188 5.663 4.213 48 HA LEU 321 HA LEU 321 -1.092 5.796 7.089 49 HB2 LEU 321 1HB LEU 321 -1.821 7.705 4.968 50 HB3 LEU 321 2HB LEU 321 -1.615 8.291 6.635 51 HG LEU 321 HG LEU 321 0.540 7.023 4.899 52 HD11 LEU 321 1HD1 LEU 321 1.567 9.311 4.942 53 HD12 LEU 321 2HD1 LEU 321 -0.048 9.341 4.195 54 HD13 LEU 321 3HD1 LEU 321 0.169 9.904 5.869 55 HD21 LEU 321 3HD2 LEU 321 0.835 6.483 7.244 56 HD22 LEU 321 1HD2 LEU 321 2.081 7.645 6.727 57 HD23 LEU 321 2HD2 LEU 321 0.689 8.201 7.688 58 H ARG 322 H ARG 322 -3.721 5.693 4.792 59 HA ARG 322 HA ARG 322 -5.781 6.891 6.304 60 HB2 ARG 322 1HB ARG 322 -6.044 6.283 4.017 61 HB3 ARG 322 2HB ARG 322 -5.982 4.559 4.451 62 HG2 ARG 322 1HG ARG 322 -8.040 4.805 5.760 63 HG3 ARG 322 2HG ARG 322 -8.097 6.538 5.358 64 HD2 ARG 322 1HD ARG 322 -8.365 5.976 3.015 65 HD3 ARG 322 2HD ARG 322 -8.331 4.247 3.432 66 HE ARG 322 HE ARG 322 -10.701 6.004 3.814 67 HH11 ARG 322 1HH1 ARG 322 -9.188 2.971 4.633 68 HH12 ARG 322 2HH1 ARG 322 -10.739 2.324 5.129 69 HH21 ARG 322 1HH2 ARG 322 -12.487 5.274 4.370 70 HH22 ARG 322 2HH2 ARG 322 -12.622 3.636 4.978 71 H GLN 323 H GLN 323 -4.454 3.616 6.530 72 HA GLN 323 HA GLN 323 -6.362 3.095 8.782 73 HB2 GLN 323 1HB GLN 323 -4.853 1.186 6.984 74 HB3 GLN 323 2HB GLN 323 -5.891 0.717 8.351 75 HG2 GLN 323 1HG GLN 323 -7.952 1.735 6.957 76 HG3 GLN 323 2HG GLN 323 -6.556 2.184 5.950 77 HE21 GLN 323 2HE2 GLN 323 -8.857 0.730 5.077 78 HE22 GLN 323 1HE2 GLN 323 -8.330 -0.848 4.594 79 H ALA 324 H ALA 324 -3.681 4.502 8.756 80 HA ALA 324 HA ALA 324 -2.260 2.651 10.625 81 HB1 ALA 324 3HB ALA 324 -1.189 5.007 9.035 82 HB2 ALA 324 1HB ALA 324 -0.246 3.988 10.145 83 HB3 ALA 324 2HB ALA 324 -0.934 3.286 8.661 84 HA PRO 325 HA PRO 325 -2.881 5.304 14.075 85 HB2 PRO 325 1HB PRO 325 0.103 5.113 14.577 86 HB3 PRO 325 2HB PRO 325 -1.228 4.672 15.656 87 HG2 PRO 325 1HG PRO 325 0.199 2.748 14.477 88 HG3 PRO 325 2HG PRO 325 -1.555 2.568 14.619 89 HD2 PRO 325 1HD PRO 325 0.079 3.400 12.178 90 HD3 PRO 325 2HD PRO 325 -1.295 2.292 12.263 91 HA PRO 326 HA PRO 326 -2.130 9.256 12.371 92 HB2 PRO 326 1HB PRO 326 -2.825 10.058 15.230 93 HB3 PRO 326 2HB PRO 326 -3.510 10.666 13.716 94 HG2 PRO 326 1HG PRO 326 -4.932 8.972 15.200 95 HG3 PRO 326 2HG PRO 326 -4.926 8.786 13.441 96 HD2 PRO 326 1HD PRO 326 -3.424 7.161 15.531 97 HD3 PRO 326 2HD PRO 326 -4.205 6.607 14.044 98 H SER 327 H SER 327 -0.741 8.132 15.411 99 HA SER 327 HA SER 327 1.134 10.355 15.736 100 HB2 SER 327 1HB SER 327 2.067 9.163 17.440 101 HB3 SER 327 2HB SER 327 0.294 9.056 17.543 102 HG SER 327 HG SER 327 1.328 7.047 17.917 103 H GLU 328 H GLU 328 1.013 7.577 13.679 104 HA GLU 328 HA GLU 328 4.000 7.489 13.455 105 HB2 GLU 328 1HB GLU 328 1.861 5.507 12.662 106 HB3 GLU 328 2HB GLU 328 3.601 5.322 12.333 107 HG2 GLU 328 1HG GLU 328 4.000 5.322 14.868 108 HG3 GLU 328 2HG GLU 328 2.232 5.467 14.985 109 H TYR 329 H TYR 329 1.612 9.129 12.087 110 HA TYR 329 HA TYR 329 1.848 8.529 9.283 111 HB2 TYR 329 1HB TYR 329 1.013 10.984 10.823 112 HB3 TYR 329 2HB TYR 329 1.029 10.919 9.044 113 HD1 TYR 329 HD1 TYR 329 0.273 7.697 9.859 114 HD2 TYR 329 HD2 TYR 329 -1.504 11.568 10.074 115 HE1 TYR 329 HE1 TYR 329 -1.975 6.656 9.877 116 HE2 TYR 329 HE2 TYR 329 -3.754 10.546 10.091 117 HH TYR 329 HH TYR 329 -4.250 7.085 10.378 118 H GLU 330 H GLU 330 3.625 10.732 11.417 119 HA GLU 330 HA GLU 330 5.237 11.934 9.368 120 HB2 GLU 330 1HB GLU 330 5.033 12.789 11.659 121 HB3 GLU 330 2HB GLU 330 5.890 11.349 12.262 122 HG2 GLU 330 1HG GLU 330 7.943 12.090 10.936 123 HG3 GLU 330 2HG GLU 330 6.934 13.459 10.420 124 H ARG 331 H ARG 331 5.794 9.061 11.410 125 HA ARG 331 HA ARG 331 8.442 8.600 10.334 126 HB2 ARG 331 1HB ARG 331 6.603 6.867 11.913 127 HB3 ARG 331 2HB ARG 331 8.224 6.379 11.366 128 HG2 ARG 331 1HG ARG 331 9.236 8.181 12.653 129 HG3 ARG 331 2HG ARG 331 7.627 8.767 13.141 130 HD2 ARG 331 1HD ARG 331 7.250 6.710 14.357 131 HD3 ARG 331 2HD ARG 331 8.859 6.128 13.871 132 HE ARG 331 HE ARG 331 9.259 8.559 15.373 133 HH11 ARG 331 1HH1 ARG 331 7.995 5.360 15.946 134 HH12 ARG 331 2HH1 ARG 331 8.516 5.446 17.616 135 HH21 ARG 331 1HH2 ARG 331 9.855 8.676 17.286 136 HH22 ARG 331 2HH2 ARG 331 9.576 7.338 18.383 137 H ILE 332 H ILE 332 5.220 7.377 9.536 138 HA ILE 332 HA ILE 332 6.207 5.353 7.680 139 HB ILE 332 HB ILE 332 3.475 6.653 8.069 140 HG12 ILE 332 1HG1 ILE 332 4.379 3.854 8.675 141 HG13 ILE 332 2HG1 ILE 332 4.401 5.186 9.853 142 HG21 ILE 332 1HG2 ILE 332 2.611 4.880 6.580 143 HG22 ILE 332 2HG2 ILE 332 3.758 5.933 5.722 144 HG23 ILE 332 3HG2 ILE 332 4.273 4.322 6.277 145 HD11 ILE 332 3HD1 ILE 332 1.940 4.112 8.431 146 HD12 ILE 332 1HD1 ILE 332 2.386 3.795 10.123 147 HD13 ILE 332 2HD1 ILE 332 1.963 5.446 9.609 148 H ALA 333 H ALA 333 4.798 8.591 7.216 149 HA ALA 333 HA ALA 333 4.952 8.527 4.378 150 HB1 ALA 333 3HB ALA 333 5.116 10.905 6.259 151 HB2 ALA 333 1HB ALA 333 4.784 10.982 4.514 152 HB3 ALA 333 2HB ALA 333 3.626 10.186 5.605 153 H PHE 334 H PHE 334 7.288 9.688 6.802 154 HA PHE 334 HA PHE 334 9.230 10.593 4.865 155 HB2 PHE 334 1HB PHE 334 9.503 9.779 7.790 156 HB3 PHE 334 2HB PHE 334 10.803 10.512 6.824 157 HD1 PHE 334 HD1 PHE 334 7.783 11.878 5.734 158 HD2 PHE 334 HD2 PHE 334 10.566 12.014 8.972 159 HE1 PHE 334 HE1 PHE 334 6.965 14.131 6.340 160 HE2 PHE 334 HE2 PHE 334 9.749 14.266 9.583 161 HZ PHE 334 HZ PHE 334 7.949 15.325 8.265 162 H GLN 335 H GLN 335 8.596 7.485 6.396 163 HA GLN 335 HA GLN 335 10.993 6.176 5.504 164 HB2 GLN 335 1HB GLN 335 9.386 5.322 7.211 165 HB3 GLN 335 2HB GLN 335 8.228 5.011 5.896 166 HG2 GLN 335 1HG GLN 335 9.447 2.751 6.261 167 HG3 GLN 335 2HG GLN 335 9.858 3.743 4.842 168 HE21 GLN 335 2HE2 GLN 335 11.861 2.674 4.623 169 HE22 GLN 335 1HE2 GLN 335 13.184 2.998 5.693 170 H HIS 336 H HIS 336 7.989 6.982 3.896 171 HA HIS 336 HA HIS 336 8.643 5.312 1.555 172 HB2 HIS 336 1HB HIS 336 6.408 7.298 2.146 173 HB3 HIS 336 2HB HIS 336 6.595 6.462 0.586 174 HD2 HIS 336 HD2 HIS 336 4.636 5.921 3.817 175 HE1 HIS 336 HE1 HIS 336 5.313 2.092 2.107 176 H GLY 337 H GLY 337 9.549 8.347 2.724 177 HA2 GLY 337 1HA GLY 337 11.261 9.618 1.645 178 HA3 GLY 337 2HA GLY 337 10.740 8.964 0.075 179 H VAL 338 H VAL 338 8.229 9.971 2.200 180 HA VAL 338 HA VAL 338 7.590 12.284 0.437 181 HB VAL 338 HB VAL 338 6.099 11.095 2.815 182 HG11 VAL 338 1HG1 VAL 338 4.211 12.461 1.991 183 HG12 VAL 338 2HG1 VAL 338 5.597 13.485 2.434 184 HG13 VAL 338 3HG1 VAL 338 5.256 13.141 0.721 185 HG21 VAL 338 3HG2 VAL 338 6.218 9.524 0.975 186 HG22 VAL 338 1HG2 VAL 338 4.571 10.171 1.147 187 HG23 VAL 338 2HG2 VAL 338 5.630 10.769 -0.153 188 H THR 339 H THR 339 8.149 14.240 0.755 189 HA THR 339 HA THR 339 9.249 14.984 3.423 190 HB THR 339 HB THR 339 10.138 16.970 2.285 191 HG1 THR 339 HG1 THR 339 9.808 17.141 -0.012 192 HG21 THR 339 1HG2 THR 339 11.695 15.858 0.723 193 HG22 THR 339 2HG2 THR 339 11.470 14.890 2.200 194 HG23 THR 339 3HG2 THR 339 10.642 14.424 0.695 195 H ASP 340 H ASP 340 6.464 15.425 1.450 196 HA ASP 340 HA ASP 340 5.559 17.663 3.226 197 HB2 ASP 340 1HB ASP 340 5.475 17.974 0.629 198 HB3 ASP 340 2HB ASP 340 4.345 16.604 0.758 199 H LEU 341 H LEU 341 5.187 16.254 4.990 200 HA LEU 341 HA LEU 341 3.471 13.986 4.898 201 HB2 LEU 341 1HB LEU 341 4.831 14.392 6.664 202 HB3 LEU 341 2HB LEU 341 4.132 15.955 7.146 203 HG LEU 341 HG LEU 341 1.984 14.752 7.655 204 HD11 LEU 341 1HD1 LEU 341 2.111 12.264 7.957 205 HD12 LEU 341 2HD1 LEU 341 2.410 12.727 6.266 206 HD13 LEU 341 3HD1 LEU 341 3.773 12.288 7.323 207 HD21 LEU 341 3HD2 LEU 341 3.517 15.378 9.426 208 HD22 LEU 341 1HD2 LEU 341 2.762 13.812 9.804 209 HD23 LEU 341 2HD2 LEU 341 4.437 13.871 9.203 210 H ARG 342 H ARG 342 2.686 17.400 5.570 211 HA ARG 342 HA ARG 342 -0.082 16.893 6.143 212 HB2 ARG 342 1HB ARG 342 1.354 19.375 5.333 213 HB3 ARG 342 2HB ARG 342 -0.389 19.298 5.685 214 HG2 ARG 342 1HG ARG 342 0.083 18.548 7.962 215 HG3 ARG 342 2HG ARG 342 1.830 18.557 7.617 216 HD2 ARG 342 1HD ARG 342 1.751 20.951 7.294 217 HD3 ARG 342 2HD ARG 342 0.005 20.941 7.634 218 HE ARG 342 HE ARG 342 1.334 19.919 9.984 219 HH11 ARG 342 1HH1 ARG 342 1.205 22.906 8.191 220 HH12 ARG 342 2HH1 ARG 342 1.496 23.810 9.665 221 HH21 ARG 342 1HH2 ARG 342 1.676 20.938 11.678 222 HH22 ARG 342 2HH2 ARG 342 1.765 22.688 11.654 223 H GLY 343 H GLY 343 1.618 17.702 3.141 224 HA2 GLY 343 1HA GLY 343 -0.721 18.037 1.530 225 HA3 GLY 343 2HA GLY 343 0.904 17.612 0.943 226 H MET 344 H MET 344 1.235 15.190 2.382 227 HA MET 344 HA MET 344 -0.260 13.342 0.712 228 HB2 MET 344 1HB MET 344 2.046 12.991 1.574 229 HB3 MET 344 2HB MET 344 1.355 12.806 3.205 230 HG2 MET 344 1HG MET 344 1.839 10.627 2.185 231 HG3 MET 344 2HG MET 344 0.097 10.848 2.474 232 HE1 MET 344 3HE MET 344 2.951 10.413 -0.128 233 HE2 MET 344 1HE MET 344 2.188 10.917 -1.656 234 HE3 MET 344 2HE MET 344 2.540 12.125 -0.395 235 H LEU 345 H LEU 345 -0.648 14.595 3.967 236 HA LEU 345 HA LEU 345 -2.785 12.703 4.627 237 HB2 LEU 345 1HB LEU 345 -1.824 15.254 5.740 238 HB3 LEU 345 2HB LEU 345 -3.112 14.367 6.588 239 HG LEU 345 HG LEU 345 -0.248 13.446 6.128 240 HD11 LEU 345 1HD1 LEU 345 -0.116 13.532 8.632 241 HD12 LEU 345 2HD1 LEU 345 -0.513 15.127 7.950 242 HD13 LEU 345 3HD1 LEU 345 -1.791 14.130 8.685 243 HD21 LEU 345 3HD2 LEU 345 -1.782 11.576 5.942 244 HD22 LEU 345 1HD2 LEU 345 -0.862 11.459 7.462 245 HD23 LEU 345 2HD2 LEU 345 -2.552 12.018 7.484 246 H LYS 346 H LYS 346 -2.545 15.816 3.069 247 HA LYS 346 HA LYS 346 -5.421 16.273 2.991 248 HB2 LYS 346 1HB LYS 346 -3.096 17.231 1.327 249 HB3 LYS 346 2HB LYS 346 -4.784 17.682 0.988 250 HG2 LYS 346 1HG LYS 346 -4.959 18.714 3.215 251 HG3 LYS 346 2HG LYS 346 -3.274 18.258 3.560 252 HD2 LYS 346 1HD LYS 346 -2.523 19.639 1.652 253 HD3 LYS 346 2HD LYS 346 -4.209 20.119 1.349 254 HE2 LYS 346 1HE LYS 346 -4.330 21.136 3.577 255 HE3 LYS 346 2HE LYS 346 -2.652 20.643 3.900 256 HZ1 LYS 346 3HZ LYS 346 -3.514 22.510 1.783 257 HZ2 LYS 346 1HZ LYS 346 -2.786 22.936 3.201 258 HZ3 LYS 346 2HZ LYS 346 -1.957 22.053 2.082 259 H ARG 347 H ARG 347 -3.111 14.504 0.976 260 HA ARG 347 HA ARG 347 -5.097 13.632 -0.951 261 HB2 ARG 347 1HB ARG 347 -2.456 12.494 -0.167 262 HB3 ARG 347 2HB ARG 347 -3.519 11.819 -1.424 263 HG2 ARG 347 1HG ARG 347 -3.338 13.847 -2.734 264 HG3 ARG 347 2HG ARG 347 -2.403 14.640 -1.442 265 HD2 ARG 347 1HD ARG 347 -0.608 13.046 -1.775 266 HD3 ARG 347 2HD ARG 347 -1.542 12.277 -3.081 267 HE ARG 347 HE ARG 347 -1.133 15.002 -3.888 268 HH11 ARG 347 1HH1 ARG 347 0.888 12.263 -3.128 269 HH12 ARG 347 2HH1 ARG 347 2.100 12.835 -4.257 270 HH21 ARG 347 1HH2 ARG 347 0.249 15.675 -5.179 271 HH22 ARG 347 2HH2 ARG 347 1.737 14.782 -5.426 272 H LEU 348 H LEU 348 -4.094 12.514 2.230 273 HA LEU 348 HA LEU 348 -5.516 10.020 2.185 274 HB2 LEU 348 1HB LEU 348 -3.826 10.909 3.725 275 HB3 LEU 348 2HB LEU 348 -5.073 11.779 4.650 276 HG LEU 348 HG LEU 348 -4.967 8.777 4.162 277 HD11 LEU 348 1HD1 LEU 348 -4.537 8.646 6.631 278 HD12 LEU 348 2HD1 LEU 348 -3.261 9.566 5.799 279 HD13 LEU 348 3HD1 LEU 348 -4.530 10.423 6.708 280 HD21 LEU 348 3HD2 LEU 348 -7.247 9.593 4.266 281 HD22 LEU 348 1HD2 LEU 348 -6.868 8.666 5.736 282 HD23 LEU 348 2HD2 LEU 348 -6.904 10.446 5.789 283 H LYS 349 H LYS 349 -6.498 13.177 3.554 284 HA LYS 349 HA LYS 349 -9.213 12.256 4.034 285 HB2 LYS 349 1HB LYS 349 -8.098 14.040 5.325 286 HB3 LYS 349 2HB LYS 349 -8.097 15.060 3.868 287 HG2 LYS 349 1HG LYS 349 -10.534 15.098 3.850 288 HG3 LYS 349 2HG LYS 349 -10.584 13.989 5.241 289 HD2 LYS 349 1HD LYS 349 -9.428 15.674 6.622 290 HD3 LYS 349 2HD LYS 349 -9.397 16.785 5.230 291 HE2 LYS 349 1HE LYS 349 -11.853 16.782 5.170 292 HE3 LYS 349 2HE LYS 349 -11.887 15.671 6.559 293 HZ1 LYS 349 3HZ LYS 349 -10.781 18.406 6.577 294 HZ2 LYS 349 1HZ LYS 349 -12.224 17.951 7.235 295 HZ3 LYS 349 2HZ LYS 349 -10.811 17.377 7.866 Start of MODEL 8 1 H GLU 315 1H GLU 315 1.228 -0.704 -0.225 2 HA GLU 315 HA GLU 315 -0.753 0.993 -1.395 3 HB2 GLU 315 1HB GLU 315 0.015 0.549 1.493 4 HB3 GLU 315 2HB GLU 315 -1.428 1.440 0.950 5 HG2 GLU 315 1HG GLU 315 -2.296 -0.691 -0.123 6 HG3 GLU 315 2HG GLU 315 -0.767 -1.426 0.412 7 H ASP 316 H ASP 316 -1.346 3.159 -0.740 8 HA ASP 316 HA ASP 316 0.994 4.933 -0.983 9 HB2 ASP 316 1HB ASP 316 -1.531 5.152 -2.052 10 HB3 ASP 316 2HB ASP 316 -1.689 5.894 -0.440 11 H VAL 317 H VAL 317 0.952 7.004 0.313 12 HA VAL 317 HA VAL 317 1.514 6.267 3.059 13 HB VAL 317 HB VAL 317 2.571 8.198 1.746 14 HG11 VAL 317 1HG1 VAL 317 1.365 10.355 1.848 15 HG12 VAL 317 2HG1 VAL 317 0.470 9.166 0.873 16 HG13 VAL 317 3HG1 VAL 317 -0.053 9.529 2.535 17 HG21 VAL 317 3HG2 VAL 317 2.922 7.884 4.123 18 HG22 VAL 317 1HG2 VAL 317 2.783 9.613 3.727 19 HG23 VAL 317 2HG2 VAL 317 1.414 8.761 4.480 20 H TRP 318 H TRP 318 -1.325 7.571 1.479 21 HA TRP 318 HA TRP 318 -2.652 8.155 4.034 22 HB2 TRP 318 1HB TRP 318 -3.145 9.407 1.892 23 HB3 TRP 318 2HB TRP 318 -3.879 7.916 1.255 24 HD1 TRP 318 HD1 TRP 318 -4.462 8.541 4.797 25 HE1 TRP 318 HE1 TRP 318 -7.014 9.336 5.201 26 HE3 TRP 318 HE3 TRP 318 -5.758 9.336 -0.053 27 HZ2 TRP 318 HZ2 TRP 318 -9.102 10.142 3.582 28 HZ3 TRP 318 HZ3 TRP 318 -7.984 10.100 -0.605 29 HH2 TRP 318 HH2 TRP 318 -9.671 10.517 1.133 30 H GLU 319 H GLU 319 -2.787 5.595 1.573 31 HA GLU 319 HA GLU 319 -4.968 4.151 2.728 32 HB2 GLU 319 1HB GLU 319 -2.608 3.278 1.062 33 HB3 GLU 319 2HB GLU 319 -3.941 2.195 1.536 34 HG2 GLU 319 1HG GLU 319 -5.552 3.546 0.204 35 HG3 GLU 319 2HG GLU 319 -4.256 4.751 0.026 36 H ILE 320 H ILE 320 -1.521 4.167 3.464 37 HA ILE 320 HA ILE 320 -1.747 2.027 5.458 38 HB ILE 320 HB ILE 320 0.372 4.179 5.006 39 HG12 ILE 320 1HG1 ILE 320 0.154 2.632 3.169 40 HG13 ILE 320 2HG1 ILE 320 1.698 2.454 4.034 41 HG21 ILE 320 1HG2 ILE 320 1.783 2.800 6.495 42 HG22 ILE 320 2HG2 ILE 320 0.338 3.388 7.349 43 HG23 ILE 320 3HG2 ILE 320 0.412 1.704 6.782 44 HD11 ILE 320 3HD1 ILE 320 -0.721 0.637 4.320 45 HD12 ILE 320 1HD1 ILE 320 0.765 0.259 3.419 46 HD13 ILE 320 2HD1 ILE 320 0.823 0.458 5.187 47 H LEU 321 H LEU 321 -1.760 5.570 5.557 48 HA LEU 321 HA LEU 321 -1.768 5.791 8.401 49 HB2 LEU 321 1HB LEU 321 -2.374 7.342 6.079 50 HB3 LEU 321 2HB LEU 321 -3.263 7.981 7.482 51 HG LEU 321 HG LEU 321 -1.305 8.582 8.615 52 HD11 LEU 321 1HD1 LEU 321 0.976 7.776 7.949 53 HD12 LEU 321 2HD1 LEU 321 -0.111 6.415 8.310 54 HD13 LEU 321 3HD1 LEU 321 0.242 6.848 6.621 55 HD21 LEU 321 3HD2 LEU 321 -1.704 10.048 6.726 56 HD22 LEU 321 1HD2 LEU 321 0.045 9.896 7.018 57 HD23 LEU 321 2HD2 LEU 321 -0.713 9.008 5.674 58 H ARG 322 H ARG 322 -4.292 4.947 6.155 59 HA ARG 322 HA ARG 322 -6.536 5.579 7.840 60 HB2 ARG 322 1HB ARG 322 -6.214 3.679 5.571 61 HB3 ARG 322 2HB ARG 322 -7.732 3.893 6.475 62 HG2 ARG 322 1HG ARG 322 -7.796 6.253 5.843 63 HG3 ARG 322 2HG ARG 322 -6.248 6.079 4.981 64 HD2 ARG 322 1HD ARG 322 -8.031 6.116 3.421 65 HD3 ARG 322 2HD ARG 322 -7.320 4.485 3.467 66 HE ARG 322 HE ARG 322 -9.767 4.593 5.094 67 HH11 ARG 322 1HH1 ARG 322 -8.666 4.409 1.792 68 HH12 ARG 322 2HH1 ARG 322 -10.140 3.575 1.340 69 HH21 ARG 322 1HH2 ARG 322 -11.465 3.648 4.591 70 HH22 ARG 322 2HH2 ARG 322 -11.737 3.142 2.936 71 H GLN 323 H GLN 323 -4.290 2.910 7.797 72 HA GLN 323 HA GLN 323 -5.986 1.513 9.837 73 HB2 GLN 323 1HB GLN 323 -3.869 0.385 7.995 74 HB3 GLN 323 2HB GLN 323 -4.831 -0.527 9.181 75 HG2 GLN 323 1HG GLN 323 -6.038 0.700 6.548 76 HG3 GLN 323 2HG GLN 323 -5.517 -0.905 7.111 77 HE21 GLN 323 2HE2 GLN 323 -8.125 1.120 6.709 78 HE22 GLN 323 1HE2 GLN 323 -9.221 0.404 7.843 79 H ALA 324 H ALA 324 -3.149 3.271 9.351 80 HA ALA 324 HA ALA 324 -1.637 1.822 11.440 81 HB1 ALA 324 3HB ALA 324 -0.900 4.235 9.748 82 HB2 ALA 324 1HB ALA 324 0.185 3.380 10.869 83 HB3 ALA 324 2HB ALA 324 -0.439 2.547 9.425 84 HA PRO 325 HA PRO 325 -2.658 4.684 14.662 85 HB2 PRO 325 1HB PRO 325 -0.455 4.357 16.277 86 HB3 PRO 325 2HB PRO 325 -1.661 3.071 16.139 87 HG2 PRO 325 1HG PRO 325 1.012 3.339 14.722 88 HG3 PRO 325 2HG PRO 325 0.305 1.918 15.503 89 HD2 PRO 325 1HD PRO 325 0.175 2.275 12.783 90 HD3 PRO 325 2HD PRO 325 -1.115 1.448 13.664 91 HA PRO 326 HA PRO 326 -0.961 8.407 13.494 92 HB2 PRO 326 1HB PRO 326 -1.351 9.912 15.811 93 HB3 PRO 326 2HB PRO 326 -2.697 9.435 14.767 94 HG2 PRO 326 1HG PRO 326 -1.708 8.130 17.322 95 HG3 PRO 326 2HG PRO 326 -3.369 8.481 16.824 96 HD2 PRO 326 1HD PRO 326 -2.361 5.973 16.556 97 HD3 PRO 326 2HD PRO 326 -3.454 6.622 15.327 98 H SER 327 H SER 327 0.471 6.656 16.061 99 HA SER 327 HA SER 327 2.624 8.504 16.754 100 HB2 SER 327 1HB SER 327 3.572 6.794 17.907 101 HB3 SER 327 2HB SER 327 1.815 6.767 18.184 102 HG SER 327 HG SER 327 3.422 4.989 16.717 103 H GLU 328 H GLU 328 1.993 6.361 14.072 104 HA GLU 328 HA GLU 328 4.921 6.144 13.471 105 HB2 GLU 328 1HB GLU 328 2.601 4.507 12.438 106 HB3 GLU 328 2HB GLU 328 4.328 4.243 12.098 107 HG2 GLU 328 1HG GLU 328 2.895 3.802 14.781 108 HG3 GLU 328 2HG GLU 328 3.657 2.659 13.652 109 H TYR 329 H TYR 329 2.429 8.083 12.718 110 HA TYR 329 HA TYR 329 2.269 7.996 9.867 111 HB2 TYR 329 1HB TYR 329 1.829 10.177 11.901 112 HB3 TYR 329 2HB TYR 329 1.613 10.439 10.154 113 HD1 TYR 329 HD1 TYR 329 0.766 7.120 10.738 114 HD2 TYR 329 HD2 TYR 329 -0.747 11.055 11.372 115 HE1 TYR 329 HE1 TYR 329 -1.532 6.205 10.884 116 HE2 TYR 329 HE2 TYR 329 -3.046 10.159 11.522 117 HH TYR 329 HH TYR 329 -3.878 6.944 10.639 118 H GLU 330 H GLU 330 4.576 9.547 12.027 119 HA GLU 330 HA GLU 330 5.803 11.231 10.041 120 HB2 GLU 330 1HB GLU 330 6.077 11.536 12.454 121 HB3 GLU 330 2HB GLU 330 6.955 9.990 12.545 122 HG2 GLU 330 1HG GLU 330 8.774 10.993 11.071 123 HG3 GLU 330 2HG GLU 330 7.754 12.450 11.046 124 H ARG 331 H ARG 331 6.665 7.982 11.242 125 HA ARG 331 HA ARG 331 8.938 7.763 9.443 126 HB2 ARG 331 1HB ARG 331 7.504 5.753 11.112 127 HB3 ARG 331 2HB ARG 331 8.892 5.383 10.062 128 HG2 ARG 331 1HG ARG 331 10.302 6.904 11.337 129 HG3 ARG 331 2HG ARG 331 8.915 7.380 12.346 130 HD2 ARG 331 1HD ARG 331 8.776 5.126 13.211 131 HD3 ARG 331 2HD ARG 331 10.165 4.655 12.204 132 HE ARG 331 HE ARG 331 11.082 6.746 13.962 133 HH11 ARG 331 1HH1 ARG 331 9.818 3.511 14.276 134 HH12 ARG 331 2HH1 ARG 331 10.761 3.277 15.735 135 HH21 ARG 331 1HH2 ARG 331 12.161 6.497 15.636 136 HH22 ARG 331 2HH2 ARG 331 12.098 4.980 16.512 137 H ILE 332 H ILE 332 5.552 6.781 9.312 138 HA ILE 332 HA ILE 332 5.757 5.166 6.931 139 HB ILE 332 HB ILE 332 3.464 6.808 8.092 140 HG12 ILE 332 1HG1 ILE 332 3.805 3.829 8.000 141 HG13 ILE 332 2HG1 ILE 332 4.382 4.840 9.345 142 HG21 ILE 332 1HG2 ILE 332 2.007 5.558 6.534 143 HG22 ILE 332 2HG2 ILE 332 3.188 6.552 5.649 144 HG23 ILE 332 3HG2 ILE 332 3.440 4.797 5.804 145 HD11 ILE 332 3HD1 ILE 332 1.504 4.614 8.397 146 HD12 ILE 332 1HD1 ILE 332 2.184 3.853 9.854 147 HD13 ILE 332 2HD1 ILE 332 2.081 5.627 9.743 148 H ALA 333 H ALA 333 5.088 8.634 7.345 149 HA ALA 333 HA ALA 333 4.895 9.251 4.588 150 HB1 ALA 333 3HB ALA 333 6.040 10.931 6.845 151 HB2 ALA 333 1HB ALA 333 5.537 11.537 5.250 152 HB3 ALA 333 2HB ALA 333 4.330 10.849 6.361 153 H PHE 334 H PHE 334 7.748 8.960 6.685 154 HA PHE 334 HA PHE 334 9.651 9.892 4.744 155 HB2 PHE 334 1HB PHE 334 9.952 8.034 7.142 156 HB3 PHE 334 2HB PHE 334 11.312 8.673 6.190 157 HD1 PHE 334 HD1 PHE 334 9.271 11.307 5.972 158 HD2 PHE 334 HD2 PHE 334 11.376 9.117 8.975 159 HE1 PHE 334 HE1 PHE 334 9.326 13.324 7.401 160 HE2 PHE 334 HE2 PHE 334 11.432 11.130 10.409 161 HZ PHE 334 HZ PHE 334 10.407 13.235 9.620 162 H GLN 335 H GLN 335 8.219 6.728 5.344 163 HA GLN 335 HA GLN 335 10.015 5.277 3.604 164 HB2 GLN 335 1HB GLN 335 7.210 4.750 4.596 165 HB3 GLN 335 2HB GLN 335 8.116 3.615 3.569 166 HG2 GLN 335 1HG GLN 335 9.916 3.508 5.602 167 HG3 GLN 335 2HG GLN 335 8.713 4.680 6.189 168 HE21 GLN 335 2HE2 GLN 335 9.412 2.432 7.665 169 HE22 GLN 335 1HE2 GLN 335 8.067 1.341 7.717 170 H HIS 336 H HIS 336 7.289 7.333 3.037 171 HA HIS 336 HA HIS 336 7.054 6.319 0.238 172 HB2 HIS 336 1HB HIS 336 5.252 8.049 1.977 173 HB3 HIS 336 2HB HIS 336 5.013 7.870 0.222 174 HD2 HIS 336 HD2 HIS 336 3.820 5.369 -0.586 175 HE1 HIS 336 HE1 HIS 336 3.436 3.955 3.401 176 H GLY 337 H GLY 337 8.924 8.433 1.821 177 HA2 GLY 337 1HA GLY 337 10.319 10.089 0.980 178 HA3 GLY 337 2HA GLY 337 9.574 9.858 -0.618 179 H VAL 338 H VAL 338 7.588 10.482 2.185 180 HA VAL 338 HA VAL 338 6.786 13.111 0.977 181 HB VAL 338 HB VAL 338 5.419 11.380 3.080 182 HG11 VAL 338 1HG1 VAL 338 3.514 12.919 2.742 183 HG12 VAL 338 2HG1 VAL 338 4.947 13.793 3.332 184 HG13 VAL 338 3HG1 VAL 338 4.494 13.884 1.613 185 HG21 VAL 338 3HG2 VAL 338 5.389 10.309 0.906 186 HG22 VAL 338 1HG2 VAL 338 3.770 10.905 1.340 187 HG23 VAL 338 2HG2 VAL 338 4.760 11.798 0.161 188 H THR 339 H THR 339 7.554 14.881 1.694 189 HA THR 339 HA THR 339 8.594 14.966 4.494 190 HB THR 339 HB THR 339 9.690 17.065 3.814 191 HG1 THR 339 HG1 THR 339 9.544 17.671 1.573 192 HG21 THR 339 1HG2 THR 339 11.280 16.132 2.171 193 HG22 THR 339 2HG2 THR 339 10.881 14.935 3.427 194 HG23 THR 339 3HG2 THR 339 10.139 14.814 1.814 195 H ASP 340 H ASP 340 6.182 16.382 2.361 196 HA ASP 340 HA ASP 340 5.056 17.778 4.768 197 HB2 ASP 340 1HB ASP 340 5.561 19.247 2.690 198 HB3 ASP 340 2HB ASP 340 4.435 18.113 1.903 199 H LEU 341 H LEU 341 4.096 15.980 5.671 200 HA LEU 341 HA LEU 341 2.480 14.150 4.130 201 HB2 LEU 341 1HB LEU 341 3.560 13.601 6.109 202 HB3 LEU 341 2HB LEU 341 2.600 14.676 7.150 203 HG LEU 341 HG LEU 341 0.560 13.381 6.533 204 HD11 LEU 341 1HD1 LEU 341 0.873 11.139 5.451 205 HD12 LEU 341 2HD1 LEU 341 1.395 12.454 4.374 206 HD13 LEU 341 3HD1 LEU 341 2.606 11.492 5.256 207 HD21 LEU 341 3HD2 LEU 341 1.722 12.913 8.609 208 HD22 LEU 341 1HD2 LEU 341 1.068 11.404 7.925 209 HD23 LEU 341 2HD2 LEU 341 2.805 11.770 7.778 210 H ARG 342 H ARG 342 1.732 17.028 6.048 211 HA ARG 342 HA ARG 342 -1.115 16.758 5.986 212 HB2 ARG 342 1HB ARG 342 0.618 19.174 6.193 213 HB3 ARG 342 2HB ARG 342 -1.158 19.196 6.282 214 HG2 ARG 342 1HG ARG 342 -1.102 17.764 8.255 215 HG3 ARG 342 2HG ARG 342 0.671 17.654 8.147 216 HD2 ARG 342 1HD ARG 342 0.816 20.053 8.541 217 HD3 ARG 342 2HD ARG 342 -0.952 20.111 8.720 218 HE ARG 342 HE ARG 342 0.032 18.299 10.735 219 HH11 ARG 342 1HH1 ARG 342 0.352 21.682 9.953 220 HH12 ARG 342 2HH1 ARG 342 0.556 22.061 11.651 221 HH21 ARG 342 1HH2 ARG 342 0.273 18.717 12.683 222 HH22 ARG 342 2HH2 ARG 342 0.512 20.371 13.210 223 H GLY 343 H GLY 343 1.093 18.465 3.764 224 HA2 GLY 343 1HA GLY 343 -1.004 19.317 1.987 225 HA3 GLY 343 2HA GLY 343 0.735 19.254 1.617 226 H MET 344 H MET 344 1.062 16.445 2.172 227 HA MET 344 HA MET 344 0.375 15.355 -0.403 228 HB2 MET 344 1HB MET 344 2.298 14.685 1.024 229 HB3 MET 344 2HB MET 344 1.142 13.902 2.129 230 HG2 MET 344 1HG MET 344 2.079 12.196 0.736 231 HG3 MET 344 2HG MET 344 0.398 12.466 0.216 232 HE1 MET 344 3HE MET 344 0.410 11.544 -2.158 233 HE2 MET 344 1HE MET 344 1.776 11.709 -3.288 234 HE3 MET 344 2HE MET 344 1.992 10.835 -1.752 235 H LEU 345 H LEU 345 -1.077 15.009 2.815 236 HA LEU 345 HA LEU 345 -3.022 13.036 1.924 237 HB2 LEU 345 1HB LEU 345 -2.788 14.859 4.223 238 HB3 LEU 345 2HB LEU 345 -4.122 13.682 4.191 239 HG LEU 345 HG LEU 345 -1.148 13.033 4.240 240 HD11 LEU 345 1HD1 LEU 345 -1.646 12.125 6.525 241 HD12 LEU 345 2HD1 LEU 345 -2.014 13.863 6.426 242 HD13 LEU 345 3HD1 LEU 345 -3.331 12.667 6.357 243 HD21 LEU 345 3HD2 LEU 345 -2.400 11.401 2.956 244 HD22 LEU 345 1HD2 LEU 345 -1.876 10.686 4.499 245 HD23 LEU 345 2HD2 LEU 345 -3.566 11.206 4.287 246 H LYS 346 H LYS 346 -2.993 16.553 2.242 247 HA LYS 346 HA LYS 346 -5.765 16.923 1.510 248 HB2 LYS 346 1HB LYS 346 -3.310 18.662 1.276 249 HB3 LYS 346 2HB LYS 346 -4.938 19.191 0.789 250 HG2 LYS 346 1HG LYS 346 -5.742 18.895 3.083 251 HG3 LYS 346 2HG LYS 346 -4.138 18.306 3.583 252 HD2 LYS 346 1HD LYS 346 -3.158 20.487 2.945 253 HD3 LYS 346 2HD LYS 346 -4.778 21.071 2.499 254 HE2 LYS 346 1HE LYS 346 -5.543 20.742 4.805 255 HE3 LYS 346 2HE LYS 346 -3.937 20.127 5.258 256 HZ1 LYS 346 3HZ LYS 346 -4.517 22.850 4.281 257 HZ2 LYS 346 1HZ LYS 346 -4.202 22.440 5.847 258 HZ3 LYS 346 2HZ LYS 346 -3.027 22.280 4.702 259 H ARG 347 H ARG 347 -2.797 16.470 -0.340 260 HA ARG 347 HA ARG 347 -4.024 17.003 -2.917 261 HB2 ARG 347 1HB ARG 347 -1.679 17.198 -2.638 262 HB3 ARG 347 2HB ARG 347 -1.558 15.473 -2.219 263 HG2 ARG 347 1HG ARG 347 -0.851 15.829 -4.521 264 HG3 ARG 347 2HG ARG 347 -2.357 14.879 -4.474 265 HD2 ARG 347 1HD ARG 347 -3.629 16.830 -5.054 266 HD3 ARG 347 2HD ARG 347 -2.150 17.819 -5.042 267 HE ARG 347 HE ARG 347 -1.716 15.862 -7.069 268 HH11 ARG 347 1HH1 ARG 347 -4.155 18.281 -6.469 269 HH12 ARG 347 2HH1 ARG 347 -4.401 18.470 -8.194 270 HH21 ARG 347 1HH2 ARG 347 -1.993 16.060 -9.046 271 HH22 ARG 347 2HH2 ARG 347 -3.169 17.203 -9.665 272 H LEU 348 H LEU 348 -3.516 14.077 -0.977 273 HA LEU 348 HA LEU 348 -4.526 12.326 -3.084 274 HB2 LEU 348 1HB LEU 348 -4.003 12.060 -0.200 275 HB3 LEU 348 2HB LEU 348 -4.508 10.622 -1.119 276 HG LEU 348 HG LEU 348 -1.969 12.241 -1.561 277 HD11 LEU 348 1HD1 LEU 348 -0.811 10.166 -0.754 278 HD12 LEU 348 2HD1 LEU 348 -1.894 10.830 0.492 279 HD13 LEU 348 3HD1 LEU 348 -2.397 9.414 -0.463 280 HD21 LEU 348 3HD2 LEU 348 -2.836 11.349 -3.641 281 HD22 LEU 348 1HD2 LEU 348 -1.365 10.466 -3.169 282 HD23 LEU 348 2HD2 LEU 348 -2.965 9.724 -2.925 283 H LYS 349 H LYS 349 -5.892 14.006 -0.325 284 HA LYS 349 HA LYS 349 -8.467 12.564 -0.635 285 HB2 LYS 349 1HB LYS 349 -7.543 13.077 1.599 286 HB3 LYS 349 2HB LYS 349 -7.663 14.811 1.219 287 HG2 LYS 349 1HG LYS 349 -10.092 14.634 1.045 288 HG3 LYS 349 2HG LYS 349 -10.004 12.881 1.337 289 HD2 LYS 349 1HD LYS 349 -9.048 13.298 3.567 290 HD3 LYS 349 2HD LYS 349 -9.134 15.051 3.276 291 HE2 LYS 349 1HE LYS 349 -11.570 14.912 3.069 292 HE3 LYS 349 2HE LYS 349 -11.501 13.153 3.316 293 HZ1 LYS 349 3HZ LYS 349 -10.678 15.194 5.281 294 HZ2 LYS 349 1HZ LYS 349 -12.072 14.314 5.339 295 HZ3 LYS 349 2HZ LYS 349 -10.613 13.562 5.511 Start of MODEL 9 1 H GLU 315 1H GLU 315 4.830 7.726 -5.149 2 HA GLU 315 HA GLU 315 4.602 7.342 -2.325 3 HB2 GLU 315 1HB GLU 315 4.310 9.860 -3.970 4 HB3 GLU 315 2HB GLU 315 4.506 9.794 -2.202 5 HG2 GLU 315 1HG GLU 315 6.816 8.899 -2.465 6 HG3 GLU 315 2HG GLU 315 6.446 8.706 -4.194 7 H ASP 316 H ASP 316 2.508 5.997 -2.850 8 HA ASP 316 HA ASP 316 0.183 7.818 -2.314 9 HB2 ASP 316 1HB ASP 316 0.260 4.990 -3.524 10 HB3 ASP 316 2HB ASP 316 -1.123 5.844 -2.795 11 H VAL 317 H VAL 317 1.906 7.426 -0.236 12 HA VAL 317 HA VAL 317 1.128 5.162 1.439 13 HB VAL 317 HB VAL 317 2.307 6.339 3.222 14 HG11 VAL 317 1HG1 VAL 317 4.523 6.606 2.161 15 HG12 VAL 317 2HG1 VAL 317 3.684 5.166 1.537 16 HG13 VAL 317 3HG1 VAL 317 3.751 6.653 0.558 17 HG21 VAL 317 3HG2 VAL 317 1.461 8.575 2.824 18 HG22 VAL 317 1HG2 VAL 317 3.238 8.576 2.905 19 HG23 VAL 317 2HG2 VAL 317 2.419 8.692 1.329 20 H TRP 318 H TRP 318 -0.381 8.125 0.653 21 HA TRP 318 HA TRP 318 -1.859 8.643 3.017 22 HB2 TRP 318 1HB TRP 318 -3.491 9.738 1.540 23 HB3 TRP 318 2HB TRP 318 -1.840 10.116 0.991 24 HD1 TRP 318 HD1 TRP 318 -1.075 9.138 -1.195 25 HE1 TRP 318 HE1 TRP 318 -2.377 8.160 -3.352 26 HE3 TRP 318 HE3 TRP 318 -5.608 8.372 0.971 27 HZ2 TRP 318 HZ2 TRP 318 -4.937 7.252 -3.859 28 HZ3 TRP 318 HZ3 TRP 318 -7.438 7.471 -0.327 29 HH2 TRP 318 HH2 TRP 318 -7.171 6.898 -2.702 30 H GLU 319 H GLU 319 -2.234 6.116 0.621 31 HA GLU 319 HA GLU 319 -4.820 5.189 1.503 32 HB2 GLU 319 1HB GLU 319 -2.478 3.791 0.206 33 HB3 GLU 319 2HB GLU 319 -4.049 3.017 0.529 34 HG2 GLU 319 1HG GLU 319 -5.157 4.679 -1.026 35 HG3 GLU 319 2HG GLU 319 -3.550 5.427 -1.168 36 H ILE 320 H ILE 320 -1.519 4.550 2.607 37 HA ILE 320 HA ILE 320 -2.415 2.637 4.655 38 HB ILE 320 HB ILE 320 0.214 4.136 4.252 39 HG12 ILE 320 1HG1 ILE 320 -0.405 1.228 3.830 40 HG13 ILE 320 2HG1 ILE 320 -0.460 2.457 2.546 41 HG21 ILE 320 1HG2 ILE 320 1.130 2.573 5.932 42 HG22 ILE 320 2HG2 ILE 320 -0.159 3.579 6.631 43 HG23 ILE 320 3HG2 ILE 320 -0.494 1.891 6.183 44 HD11 ILE 320 3HD1 ILE 320 1.981 1.722 4.199 45 HD12 ILE 320 1HD1 ILE 320 1.679 1.235 2.516 46 HD13 ILE 320 2HD1 ILE 320 1.926 2.952 2.915 47 H LEU 321 H LEU 321 -1.677 6.086 4.539 48 HA LEU 321 HA LEU 321 -1.541 6.453 7.373 49 HB2 LEU 321 1HB LEU 321 -2.364 8.206 5.154 50 HB3 LEU 321 2HB LEU 321 -2.042 8.903 6.758 51 HG LEU 321 HG LEU 321 -0.030 7.506 4.952 52 HD11 LEU 321 1HD1 LEU 321 1.042 9.771 4.840 53 HD12 LEU 321 2HD1 LEU 321 -0.619 9.811 4.207 54 HD13 LEU 321 3HD1 LEU 321 -0.275 10.427 5.841 55 HD21 LEU 321 3HD2 LEU 321 0.418 7.040 7.288 56 HD22 LEU 321 1HD2 LEU 321 1.647 8.155 6.645 57 HD23 LEU 321 2HD2 LEU 321 0.337 8.775 7.679 58 H ARG 322 H ARG 322 -4.263 6.383 5.143 59 HA ARG 322 HA ARG 322 -6.243 7.502 6.849 60 HB2 ARG 322 1HB ARG 322 -6.534 7.057 4.481 61 HB3 ARG 322 2HB ARG 322 -6.635 5.320 4.850 62 HG2 ARG 322 1HG ARG 322 -8.643 5.667 6.160 63 HG3 ARG 322 2HG ARG 322 -8.510 7.430 5.958 64 HD2 ARG 322 1HD ARG 322 -8.892 5.506 3.693 65 HD3 ARG 322 2HD ARG 322 -10.221 6.307 4.562 66 HE ARG 322 HE ARG 322 -8.773 8.483 3.587 67 HH11 ARG 322 1HH1 ARG 322 -9.786 5.550 1.996 68 HH12 ARG 322 2HH1 ARG 322 -9.907 6.410 0.474 69 HH21 ARG 322 1HH2 ARG 322 -8.899 9.481 1.850 70 HH22 ARG 322 2HH2 ARG 322 -9.401 8.652 0.389 71 H GLN 323 H GLN 323 -4.900 4.237 6.722 72 HA GLN 323 HA GLN 323 -6.740 3.463 8.953 73 HB2 GLN 323 1HB GLN 323 -5.024 1.739 7.154 74 HB3 GLN 323 2HB GLN 323 -6.174 1.173 8.389 75 HG2 GLN 323 1HG GLN 323 -7.065 2.549 5.704 76 HG3 GLN 323 2HG GLN 323 -6.949 0.887 6.327 77 HE21 GLN 323 2HE2 GLN 323 -9.020 3.395 5.792 78 HE22 GLN 323 1HE2 GLN 323 -10.229 3.046 6.982 79 H ALA 324 H ALA 324 -4.155 5.065 9.027 80 HA ALA 324 HA ALA 324 -2.708 3.257 10.922 81 HB1 ALA 324 3HB ALA 324 -1.593 5.507 9.212 82 HB2 ALA 324 1HB ALA 324 -0.670 4.536 10.383 83 HB3 ALA 324 2HB ALA 324 -1.360 3.765 8.935 84 HA PRO 325 HA PRO 325 -3.459 6.168 14.167 85 HB2 PRO 325 1HB PRO 325 -0.655 5.484 15.067 86 HB3 PRO 325 2HB PRO 325 -2.172 5.312 15.961 87 HG2 PRO 325 1HG PRO 325 -0.939 3.135 15.019 88 HG3 PRO 325 2HG PRO 325 -2.702 3.246 14.938 89 HD2 PRO 325 1HD PRO 325 -0.664 3.720 12.712 90 HD3 PRO 325 2HD PRO 325 -2.188 2.825 12.643 91 HA PRO 326 HA PRO 326 -1.774 9.920 12.766 92 HB2 PRO 326 1HB PRO 326 -1.984 10.700 15.702 93 HB3 PRO 326 2HB PRO 326 -2.635 11.539 14.288 94 HG2 PRO 326 1HG PRO 326 -4.289 10.167 15.863 95 HG3 PRO 326 2HG PRO 326 -4.497 10.082 14.109 96 HD2 PRO 326 1HD PRO 326 -3.242 8.029 15.976 97 HD3 PRO 326 2HD PRO 326 -4.296 7.762 14.581 98 H SER 327 H SER 327 -0.463 8.250 15.574 99 HA SER 327 HA SER 327 1.934 9.889 15.860 100 HB2 SER 327 1HB SER 327 2.693 8.311 17.326 101 HB3 SER 327 2HB SER 327 0.970 8.632 17.631 102 HG SER 327 HG SER 327 2.143 6.370 16.403 103 H GLU 328 H GLU 328 0.939 7.469 13.595 104 HA GLU 328 HA GLU 328 3.757 6.621 13.069 105 HB2 GLU 328 1HB GLU 328 1.156 5.479 12.044 106 HB3 GLU 328 2HB GLU 328 2.787 4.803 11.815 107 HG2 GLU 328 1HG GLU 328 1.174 4.892 14.428 108 HG3 GLU 328 2HG GLU 328 1.745 3.533 13.434 109 H TYR 329 H TYR 329 1.697 8.962 12.067 110 HA TYR 329 HA TYR 329 1.720 8.722 9.216 111 HB2 TYR 329 1HB TYR 329 1.561 11.093 11.077 112 HB3 TYR 329 2HB TYR 329 1.458 11.236 9.306 113 HD1 TYR 329 HD1 TYR 329 0.020 8.189 9.899 114 HD2 TYR 329 HD2 TYR 329 -0.792 12.322 10.560 115 HE1 TYR 329 HE1 TYR 329 -2.404 7.689 10.001 116 HE2 TYR 329 HE2 TYR 329 -3.214 11.842 10.664 117 HH TYR 329 HH TYR 329 -4.494 8.525 10.308 118 H GLU 330 H GLU 330 3.999 10.302 11.444 119 HA GLU 330 HA GLU 330 5.658 11.333 9.287 120 HB2 GLU 330 1HB GLU 330 6.124 10.941 12.245 121 HB3 GLU 330 2HB GLU 330 7.299 11.694 11.140 122 HG2 GLU 330 1HG GLU 330 5.640 13.543 10.670 123 HG3 GLU 330 2HG GLU 330 4.515 12.626 11.697 124 H ARG 331 H ARG 331 5.668 8.414 11.268 125 HA ARG 331 HA ARG 331 8.316 7.571 10.391 126 HB2 ARG 331 1HB ARG 331 6.111 6.148 11.801 127 HB3 ARG 331 2HB ARG 331 7.642 5.383 11.316 128 HG2 ARG 331 1HG ARG 331 8.889 6.969 12.703 129 HG3 ARG 331 2HG ARG 331 7.370 7.772 13.166 130 HD2 ARG 331 1HD ARG 331 6.639 5.794 14.302 131 HD3 ARG 331 2HD ARG 331 8.103 4.927 13.780 132 HE ARG 331 HE ARG 331 8.960 7.160 15.403 133 HH11 ARG 331 1HH1 ARG 331 7.128 4.220 15.807 134 HH12 ARG 331 2HH1 ARG 331 7.658 4.112 17.474 135 HH21 ARG 331 1HH2 ARG 331 9.569 7.053 17.312 136 HH22 ARG 331 2HH2 ARG 331 9.050 5.727 18.334 137 H ILE 332 H ILE 332 5.000 6.923 9.343 138 HA ILE 332 HA ILE 332 5.725 4.928 7.364 139 HB ILE 332 HB ILE 332 3.329 6.796 7.631 140 HG12 ILE 332 1HG1 ILE 332 3.476 3.819 7.979 141 HG13 ILE 332 2HG1 ILE 332 3.711 4.979 9.307 142 HG21 ILE 332 1HG2 ILE 332 2.268 5.417 5.876 143 HG22 ILE 332 2HG2 ILE 332 3.716 6.241 5.253 144 HG23 ILE 332 3HG2 ILE 332 3.787 4.512 5.668 145 HD11 ILE 332 3HD1 ILE 332 1.213 4.714 7.595 146 HD12 ILE 332 1HD1 ILE 332 1.398 4.129 9.264 147 HD13 ILE 332 2HD1 ILE 332 1.448 5.875 8.923 148 H ALA 333 H ALA 333 5.088 8.422 7.069 149 HA ALA 333 HA ALA 333 5.735 8.618 4.323 150 HB1 ALA 333 3HB ALA 333 6.196 10.647 6.537 151 HB2 ALA 333 1HB ALA 333 6.195 10.994 4.792 152 HB3 ALA 333 2HB ALA 333 4.702 10.447 5.593 153 H PHE 334 H PHE 334 7.867 8.987 7.166 154 HA PHE 334 HA PHE 334 10.282 9.470 5.758 155 HB2 PHE 334 1HB PHE 334 10.106 9.704 8.206 156 HB3 PHE 334 2HB PHE 334 9.857 7.951 8.369 157 HD1 PHE 334 HD1 PHE 334 12.289 10.548 7.352 158 HD2 PHE 334 HD2 PHE 334 11.650 6.472 8.459 159 HE1 PHE 334 HE1 PHE 334 14.732 10.221 7.550 160 HE2 PHE 334 HE2 PHE 334 14.093 6.141 8.662 161 HZ PHE 334 HZ PHE 334 15.634 8.018 8.206 162 H GLN 335 H GLN 335 8.750 6.381 6.633 163 HA GLN 335 HA GLN 335 10.949 4.737 5.829 164 HB2 GLN 335 1HB GLN 335 9.038 4.022 7.241 165 HB3 GLN 335 2HB GLN 335 7.989 4.106 5.804 166 HG2 GLN 335 1HG GLN 335 8.701 1.619 5.960 167 HG3 GLN 335 2HG GLN 335 9.457 2.660 4.732 168 HE21 GLN 335 2HE2 GLN 335 11.237 1.261 4.542 169 HE22 GLN 335 1HE2 GLN 335 12.462 1.170 5.765 170 H HIS 336 H HIS 336 8.333 6.207 4.004 171 HA HIS 336 HA HIS 336 9.086 4.568 1.622 172 HB2 HIS 336 1HB HIS 336 6.623 6.254 2.250 173 HB3 HIS 336 2HB HIS 336 6.931 5.486 0.673 174 HD2 HIS 336 HD2 HIS 336 6.462 2.621 0.609 175 HE1 HIS 336 HE1 HIS 336 4.986 2.533 4.591 176 H GLY 337 H GLY 337 10.051 7.355 2.969 177 HA2 GLY 337 1HA GLY 337 11.451 8.970 2.057 178 HA3 GLY 337 2HA GLY 337 11.238 8.211 0.462 179 H VAL 338 H VAL 338 8.448 9.116 2.347 180 HA VAL 338 HA VAL 338 7.707 11.152 0.296 181 HB VAL 338 HB VAL 338 6.161 10.016 2.665 182 HG11 VAL 338 1HG1 VAL 338 4.212 11.102 1.598 183 HG12 VAL 338 2HG1 VAL 338 5.449 12.301 2.045 184 HG13 VAL 338 3HG1 VAL 338 5.278 11.787 0.349 185 HG21 VAL 338 3HG2 VAL 338 6.580 8.325 0.982 186 HG22 VAL 338 1HG2 VAL 338 4.867 8.805 0.984 187 HG23 VAL 338 2HG2 VAL 338 5.957 9.407 -0.287 188 H THR 339 H THR 339 8.051 13.176 0.455 189 HA THR 339 HA THR 339 8.814 14.275 3.123 190 HB THR 339 HB THR 339 9.690 16.197 1.865 191 HG1 THR 339 HG1 THR 339 9.634 16.080 -0.458 192 HG21 THR 339 1HG2 THR 339 11.503 15.052 0.638 193 HG22 THR 339 2HG2 THR 339 11.165 14.240 2.186 194 HG23 THR 339 3HG2 THR 339 10.566 13.540 0.664 195 H ASP 340 H ASP 340 6.297 14.357 0.745 196 HA ASP 340 HA ASP 340 5.068 16.736 2.063 197 HB2 ASP 340 1HB ASP 340 5.192 16.488 -0.558 198 HB3 ASP 340 2HB ASP 340 4.085 15.138 -0.205 199 H LEU 341 H LEU 341 4.863 15.348 4.019 200 HA LEU 341 HA LEU 341 2.923 13.224 4.075 201 HB2 LEU 341 1HB LEU 341 4.473 13.455 5.714 202 HB3 LEU 341 2HB LEU 341 4.014 15.090 6.244 203 HG LEU 341 HG LEU 341 1.803 14.175 6.970 204 HD11 LEU 341 1HD1 LEU 341 1.596 11.688 7.223 205 HD12 LEU 341 2HD1 LEU 341 1.791 12.150 5.516 206 HD13 LEU 341 3HD1 LEU 341 3.173 11.491 6.424 207 HD21 LEU 341 3HD2 LEU 341 3.578 14.527 8.582 208 HD22 LEU 341 1HD2 LEU 341 2.645 13.074 9.014 209 HD23 LEU 341 2HD2 LEU 341 4.243 12.910 8.247 210 H ARG 342 H ARG 342 2.654 16.731 4.503 211 HA ARG 342 HA ARG 342 -0.081 16.723 5.374 212 HB2 ARG 342 1HB ARG 342 1.592 18.818 4.079 213 HB3 ARG 342 2HB ARG 342 -0.109 19.057 4.544 214 HG2 ARG 342 1HG ARG 342 0.456 18.566 6.882 215 HG3 ARG 342 2HG ARG 342 2.157 18.312 6.421 216 HD2 ARG 342 1HD ARG 342 2.340 20.617 5.765 217 HD3 ARG 342 2HD ARG 342 0.627 20.881 6.166 218 HE ARG 342 HE ARG 342 1.977 20.055 8.590 219 HH11 ARG 342 1HH1 ARG 342 2.008 22.756 6.385 220 HH12 ARG 342 2HH1 ARG 342 2.464 23.827 7.695 221 HH21 ARG 342 1HH2 ARG 342 2.507 21.267 10.099 222 HH22 ARG 342 2HH2 ARG 342 2.751 22.980 9.813 223 H GLY 343 H GLY 343 1.382 16.863 2.146 224 HA2 GLY 343 1HA GLY 343 -1.066 17.197 0.705 225 HA3 GLY 343 2HA GLY 343 0.442 16.503 0.065 226 H MET 344 H MET 344 0.649 14.341 1.931 227 HA MET 344 HA MET 344 -1.160 12.410 0.724 228 HB2 MET 344 1HB MET 344 0.731 12.261 3.070 229 HB3 MET 344 2HB MET 344 -0.174 10.877 2.412 230 HG2 MET 344 1HG MET 344 1.875 12.534 0.908 231 HG3 MET 344 2HG MET 344 2.166 10.931 1.622 232 HE1 MET 344 3HE MET 344 1.635 12.698 -1.544 233 HE2 MET 344 1HE MET 344 0.303 11.895 -2.409 234 HE3 MET 344 2HE MET 344 -0.044 12.923 -0.997 235 H LEU 345 H LEU 345 -1.137 14.255 3.713 236 HA LEU 345 HA LEU 345 -3.357 12.752 4.882 237 HB2 LEU 345 1HB LEU 345 -2.098 15.365 5.386 238 HB3 LEU 345 2HB LEU 345 -3.369 14.790 6.489 239 HG LEU 345 HG LEU 345 -0.648 13.515 6.012 240 HD11 LEU 345 1HD1 LEU 345 -0.271 14.080 8.426 241 HD12 LEU 345 2HD1 LEU 345 -0.594 15.540 7.462 242 HD13 LEU 345 3HD1 LEU 345 -1.876 14.845 8.482 243 HD21 LEU 345 3HD2 LEU 345 -2.346 11.812 6.332 244 HD22 LEU 345 1HD2 LEU 345 -1.298 11.903 7.769 245 HD23 LEU 345 2HD2 LEU 345 -2.925 12.627 7.805 246 H LYS 346 H LYS 346 -3.016 15.506 2.758 247 HA LYS 346 HA LYS 346 -5.811 16.286 2.867 248 HB2 LYS 346 1HB LYS 346 -3.622 16.636 0.822 249 HB3 LYS 346 2HB LYS 346 -5.276 17.249 0.594 250 HG2 LYS 346 1HG LYS 346 -5.039 18.642 2.611 251 HG3 LYS 346 2HG LYS 346 -3.382 18.033 2.835 252 HD2 LYS 346 1HD LYS 346 -2.764 18.968 0.623 253 HD3 LYS 346 2HD LYS 346 -4.410 19.626 0.462 254 HE2 LYS 346 1HE LYS 346 -4.073 20.989 2.471 255 HE3 LYS 346 2HE LYS 346 -2.438 20.315 2.663 256 HZ1 LYS 346 3HZ LYS 346 -3.369 21.932 0.378 257 HZ2 LYS 346 1HZ LYS 346 -2.394 22.467 1.596 258 HZ3 LYS 346 2HZ LYS 346 -1.853 21.308 0.555 259 H ARG 347 H ARG 347 -3.965 13.938 0.968 260 HA ARG 347 HA ARG 347 -6.305 13.076 -0.555 261 HB2 ARG 347 1HB ARG 347 -3.615 11.860 -0.145 262 HB3 ARG 347 2HB ARG 347 -4.922 11.115 -1.095 263 HG2 ARG 347 1HG ARG 347 -4.948 13.081 -2.583 264 HG3 ARG 347 2HG ARG 347 -3.619 13.801 -1.642 265 HD2 ARG 347 1HD ARG 347 -2.170 11.987 -2.283 266 HD3 ARG 347 2HD ARG 347 -3.499 11.237 -3.197 267 HE ARG 347 HE ARG 347 -3.021 13.834 -4.365 268 HH11 ARG 347 1HH1 ARG 347 -1.303 10.825 -3.972 269 HH12 ARG 347 2HH1 ARG 347 -0.435 11.119 -5.466 270 HH21 ARG 347 1HH2 ARG 347 -2.029 14.188 -6.073 271 HH22 ARG 347 2HH2 ARG 347 -0.848 13.037 -6.665 272 H LEU 348 H LEU 348 -4.794 12.188 2.495 273 HA LEU 348 HA LEU 348 -6.229 9.798 3.024 274 HB2 LEU 348 1HB LEU 348 -4.421 10.775 4.242 275 HB3 LEU 348 2HB LEU 348 -5.460 11.979 5.040 276 HG LEU 348 HG LEU 348 -5.647 8.951 5.281 277 HD11 LEU 348 1HD1 LEU 348 -5.096 9.390 7.689 278 HD12 LEU 348 2HD1 LEU 348 -3.808 9.981 6.612 279 HD13 LEU 348 3HD1 LEU 348 -4.967 11.128 7.326 280 HD21 LEU 348 3HD2 LEU 348 -7.861 9.941 5.263 281 HD22 LEU 348 1HD2 LEU 348 -7.463 9.372 6.902 282 HD23 LEU 348 2HD2 LEU 348 -7.381 11.109 6.517 283 H LYS 349 H LYS 349 -7.134 13.137 3.937 284 HA LYS 349 HA LYS 349 -9.842 12.194 4.650 285 HB2 LYS 349 1HB LYS 349 -8.651 13.864 6.013 286 HB3 LYS 349 2HB LYS 349 -8.639 14.967 4.615 287 HG2 LYS 349 1HG LYS 349 -11.082 15.069 4.645 288 HG3 LYS 349 2HG LYS 349 -11.130 13.912 5.996 289 HD2 LYS 349 1HD LYS 349 -9.900 15.507 7.410 290 HD3 LYS 349 2HD LYS 349 -9.846 16.663 6.059 291 HE2 LYS 349 1HE LYS 349 -12.297 16.770 6.040 292 HE3 LYS 349 2HE LYS 349 -12.363 15.598 7.376 293 HZ1 LYS 349 3HZ LYS 349 -11.141 18.280 7.509 294 HZ2 LYS 349 1HZ LYS 349 -12.595 17.855 8.161 295 HZ3 LYS 349 2HZ LYS 349 -11.203 17.193 8.748 Start of MODEL 10 1 H GLU 315 1H GLU 315 4.713 7.410 -3.520 2 HA GLU 315 HA GLU 315 3.132 9.766 -3.168 3 HB2 GLU 315 1HB GLU 315 3.112 7.703 -5.376 4 HB3 GLU 315 2HB GLU 315 2.293 9.282 -5.440 5 HG2 GLU 315 1HG GLU 315 4.561 10.418 -5.264 6 HG3 GLU 315 2HG GLU 315 5.224 8.772 -5.148 7 H ASP 316 H ASP 316 2.333 6.370 -2.945 8 HA ASP 316 HA ASP 316 -0.550 7.121 -2.596 9 HB2 ASP 316 1HB ASP 316 -1.088 4.785 -3.233 10 HB3 ASP 316 2HB ASP 316 -0.036 5.663 -4.370 11 H VAL 317 H VAL 317 1.789 7.194 -0.650 12 HA VAL 317 HA VAL 317 1.337 5.077 1.293 13 HB VAL 317 HB VAL 317 3.404 6.594 1.127 14 HG11 VAL 317 1HG1 VAL 317 3.273 8.713 2.394 15 HG12 VAL 317 2HG1 VAL 317 2.194 8.744 0.978 16 HG13 VAL 317 3HG1 VAL 317 1.522 8.478 2.605 17 HG21 VAL 317 3HG2 VAL 317 3.038 5.066 2.971 18 HG22 VAL 317 1HG2 VAL 317 3.760 6.586 3.545 19 HG23 VAL 317 2HG2 VAL 317 2.026 6.275 3.797 20 H TRP 318 H TRP 318 -0.354 7.992 0.541 21 HA TRP 318 HA TRP 318 -1.589 8.479 3.066 22 HB2 TRP 318 1HB TRP 318 -3.328 9.647 1.761 23 HB3 TRP 318 2HB TRP 318 -1.712 10.044 1.127 24 HD1 TRP 318 HD1 TRP 318 -1.142 9.311 -1.175 25 HE1 TRP 318 HE1 TRP 318 -2.568 8.400 -3.281 26 HE3 TRP 318 HE3 TRP 318 -5.420 8.122 1.298 27 HZ2 TRP 318 HZ2 TRP 318 -5.107 7.369 -3.639 28 HZ3 TRP 318 HZ3 TRP 318 -7.301 7.197 0.094 29 HH2 TRP 318 HH2 TRP 318 -7.209 6.800 -2.329 30 H GLU 319 H GLU 319 -2.163 6.014 0.662 31 HA GLU 319 HA GLU 319 -4.712 5.118 1.668 32 HB2 GLU 319 1HB GLU 319 -2.462 3.698 0.237 33 HB3 GLU 319 2HB GLU 319 -4.025 2.943 0.635 34 HG2 GLU 319 1HG GLU 319 -5.188 4.650 -0.838 35 HG3 GLU 319 2HG GLU 319 -3.572 5.356 -1.072 36 H ILE 320 H ILE 320 -1.370 4.428 2.604 37 HA ILE 320 HA ILE 320 -2.181 2.568 4.729 38 HB ILE 320 HB ILE 320 0.415 4.078 4.188 39 HG12 ILE 320 1HG1 ILE 320 -0.189 1.149 3.915 40 HG13 ILE 320 2HG1 ILE 320 -0.298 2.320 2.581 41 HG21 ILE 320 1HG2 ILE 320 1.407 2.598 5.900 42 HG22 ILE 320 2HG2 ILE 320 0.133 3.623 6.601 43 HG23 ILE 320 3HG2 ILE 320 -0.199 1.913 6.239 44 HD11 ILE 320 3HD1 ILE 320 2.204 1.677 4.180 45 HD12 ILE 320 1HD1 ILE 320 1.850 1.115 2.531 46 HD13 ILE 320 2HD1 ILE 320 2.094 2.850 2.847 47 H LEU 321 H LEU 321 -1.449 6.018 4.524 48 HA LEU 321 HA LEU 321 -1.295 6.425 7.361 49 HB2 LEU 321 1HB LEU 321 -2.043 8.150 5.094 50 HB3 LEU 321 2HB LEU 321 -1.752 8.879 6.689 51 HG LEU 321 HG LEU 321 0.280 7.412 4.962 52 HD11 LEU 321 1HD1 LEU 321 1.400 9.654 4.850 53 HD12 LEU 321 2HD1 LEU 321 -0.244 9.718 4.173 54 HD13 LEU 321 3HD1 LEU 321 0.071 10.349 5.808 55 HD21 LEU 321 3HD2 LEU 321 0.659 6.969 7.316 56 HD22 LEU 321 1HD2 LEU 321 1.926 8.051 6.690 57 HD23 LEU 321 2HD2 LEU 321 0.601 8.711 7.682 58 H ARG 322 H ARG 322 -4.002 6.328 5.124 59 HA ARG 322 HA ARG 322 -5.984 7.559 6.724 60 HB2 ARG 322 1HB ARG 322 -6.304 6.953 4.421 61 HB3 ARG 322 2HB ARG 322 -6.333 5.235 4.883 62 HG2 ARG 322 1HG ARG 322 -8.337 5.621 6.238 63 HG3 ARG 322 2HG ARG 322 -8.301 7.349 5.812 64 HD2 ARG 322 1HD ARG 322 -8.483 5.240 3.713 65 HD3 ARG 322 2HD ARG 322 -9.919 5.790 4.608 66 HE ARG 322 HE ARG 322 -8.917 8.175 3.526 67 HH11 ARG 322 1HH1 ARG 322 -9.546 5.067 2.077 68 HH12 ARG 322 2HH1 ARG 322 -9.917 5.848 0.551 69 HH21 ARG 322 1HH2 ARG 322 -9.331 9.084 1.785 70 HH22 ARG 322 2HH2 ARG 322 -9.793 8.137 0.383 71 H GLN 323 H GLN 323 -4.718 4.253 6.844 72 HA GLN 323 HA GLN 323 -6.609 3.672 9.083 73 HB2 GLN 323 1HB GLN 323 -4.826 1.840 7.464 74 HB3 GLN 323 2HB GLN 323 -5.972 1.340 8.730 75 HG2 GLN 323 1HG GLN 323 -6.852 2.457 5.926 76 HG3 GLN 323 2HG GLN 323 -6.760 0.872 6.731 77 HE21 GLN 323 2HE2 GLN 323 -8.751 3.432 5.967 78 HE22 GLN 323 1HE2 GLN 323 -9.991 3.192 7.154 79 H ALA 324 H ALA 324 -3.734 5.053 8.839 80 HA ALA 324 HA ALA 324 -2.391 3.407 10.914 81 HB1 ALA 324 3HB ALA 324 -1.390 5.774 9.295 82 HB2 ALA 324 1HB ALA 324 -0.427 4.822 10.447 83 HB3 ALA 324 2HB ALA 324 -1.050 4.059 8.964 84 HA PRO 325 HA PRO 325 -3.295 6.206 14.237 85 HB2 PRO 325 1HB PRO 325 -0.458 5.671 15.122 86 HB3 PRO 325 2HB PRO 325 -1.962 5.370 16.003 87 HG2 PRO 325 1HG PRO 325 -0.576 3.313 15.000 88 HG3 PRO 325 2HG PRO 325 -2.343 3.301 14.928 89 HD2 PRO 325 1HD PRO 325 -0.356 3.989 12.710 90 HD3 PRO 325 2HD PRO 325 -1.803 2.978 12.621 91 HA PRO 326 HA PRO 326 -1.733 10.002 12.911 92 HB2 PRO 326 1HB PRO 326 -2.087 11.481 15.252 93 HB3 PRO 326 2HB PRO 326 -3.446 11.029 14.214 94 HG2 PRO 326 1HG PRO 326 -2.449 9.681 16.743 95 HG3 PRO 326 2HG PRO 326 -4.110 10.050 16.260 96 HD2 PRO 326 1HD PRO 326 -3.124 7.539 15.953 97 HD3 PRO 326 2HD PRO 326 -4.218 8.214 14.739 98 H SER 327 H SER 327 -0.372 8.390 15.677 99 HA SER 327 HA SER 327 1.943 10.187 15.990 100 HB2 SER 327 1HB SER 327 2.748 8.684 17.504 101 HB3 SER 327 2HB SER 327 1.014 8.945 17.794 102 HG SER 327 HG SER 327 2.292 6.695 16.661 103 H GLU 328 H GLU 328 1.033 7.616 13.838 104 HA GLU 328 HA GLU 328 3.887 6.886 13.326 105 HB2 GLU 328 1HB GLU 328 1.335 5.545 12.421 106 HB3 GLU 328 2HB GLU 328 2.996 4.947 12.193 107 HG2 GLU 328 1HG GLU 328 1.441 5.107 14.837 108 HG3 GLU 328 2HG GLU 328 2.053 3.720 13.907 109 H TYR 329 H TYR 329 1.758 9.090 12.235 110 HA TYR 329 HA TYR 329 1.654 8.694 9.415 111 HB2 TYR 329 1HB TYR 329 1.593 11.142 11.171 112 HB3 TYR 329 2HB TYR 329 1.499 11.247 9.396 113 HD1 TYR 329 HD1 TYR 329 -0.033 8.278 9.899 114 HD2 TYR 329 HD2 TYR 329 -0.714 12.397 10.769 115 HE1 TYR 329 HE1 TYR 329 -2.469 7.845 10.002 116 HE2 TYR 329 HE2 TYR 329 -3.149 11.982 10.875 117 HH TYR 329 HH TYR 329 -4.532 8.730 10.354 118 H GLU 330 H GLU 330 3.994 10.584 11.346 119 HA GLU 330 HA GLU 330 5.595 11.285 9.038 120 HB2 GLU 330 1HB GLU 330 6.151 11.259 12.005 121 HB3 GLU 330 2HB GLU 330 7.310 11.838 10.783 122 HG2 GLU 330 1HG GLU 330 5.690 13.655 10.125 123 HG3 GLU 330 2HG GLU 330 4.554 12.893 11.262 124 H ARG 331 H ARG 331 5.811 8.712 11.475 125 HA ARG 331 HA ARG 331 8.430 7.821 10.665 126 HB2 ARG 331 1HB ARG 331 6.261 6.493 12.216 127 HB3 ARG 331 2HB ARG 331 7.825 5.734 11.841 128 HG2 ARG 331 1HG ARG 331 8.997 7.519 13.036 129 HG3 ARG 331 2HG ARG 331 7.445 8.320 13.382 130 HD2 ARG 331 1HD ARG 331 6.764 6.451 14.733 131 HD3 ARG 331 2HD ARG 331 8.286 5.608 14.357 132 HE ARG 331 HE ARG 331 8.978 8.069 15.705 133 HH11 ARG 331 1HH1 ARG 331 7.291 5.106 16.434 134 HH12 ARG 331 2HH1 ARG 331 7.778 5.234 18.113 135 HH21 ARG 331 1HH2 ARG 331 9.538 8.234 17.625 136 HH22 ARG 331 2HH2 ARG 331 9.059 7.019 18.794 137 H ILE 332 H ILE 332 5.158 6.909 9.672 138 HA ILE 332 HA ILE 332 6.062 4.759 7.913 139 HB ILE 332 HB ILE 332 3.470 6.360 8.068 140 HG12 ILE 332 1HG1 ILE 332 4.008 3.487 8.758 141 HG13 ILE 332 2HG1 ILE 332 4.064 4.824 9.930 142 HG21 ILE 332 1HG2 ILE 332 2.541 4.677 6.514 143 HG22 ILE 332 2HG2 ILE 332 3.868 5.586 5.755 144 HG23 ILE 332 3HG2 ILE 332 4.150 3.935 6.356 145 HD11 ILE 332 3HD1 ILE 332 1.643 3.995 8.291 146 HD12 ILE 332 1HD1 ILE 332 1.898 3.655 10.018 147 HD13 ILE 332 2HD1 ILE 332 1.699 5.334 9.461 148 H ALA 333 H ALA 333 5.106 8.139 7.354 149 HA ALA 333 HA ALA 333 5.322 8.048 4.539 150 HB1 ALA 333 3HB ALA 333 5.879 10.375 6.411 151 HB2 ALA 333 1HB ALA 333 5.580 10.496 4.662 152 HB3 ALA 333 2HB ALA 333 4.293 9.919 5.748 153 H PHE 334 H PHE 334 7.810 8.638 6.999 154 HA PHE 334 HA PHE 334 9.836 9.495 5.132 155 HB2 PHE 334 1HB PHE 334 10.039 8.343 7.947 156 HB3 PHE 334 2HB PHE 334 11.399 9.042 7.039 157 HD1 PHE 334 HD1 PHE 334 9.132 11.102 5.854 158 HD2 PHE 334 HD2 PHE 334 10.739 10.034 9.664 159 HE1 PHE 334 HE1 PHE 334 8.563 13.346 6.722 160 HE2 PHE 334 HE2 PHE 334 10.169 12.275 10.538 161 HZ PHE 334 HZ PHE 334 9.082 13.933 9.064 162 H GLN 335 H GLN 335 8.785 6.348 6.273 163 HA GLN 335 HA GLN 335 11.102 4.923 5.243 164 HB2 GLN 335 1HB GLN 335 8.307 4.072 6.012 165 HB3 GLN 335 2HB GLN 335 9.561 2.944 5.448 166 HG2 GLN 335 1HG GLN 335 10.978 3.720 7.631 167 HG3 GLN 335 2HG GLN 335 9.508 4.717 7.728 168 HE21 GLN 335 2HE2 GLN 335 10.318 3.107 9.838 169 HE22 GLN 335 1HE2 GLN 335 9.197 1.801 10.027 170 H HIS 336 H HIS 336 8.295 6.282 3.813 171 HA HIS 336 HA HIS 336 8.704 4.637 1.350 172 HB2 HIS 336 1HB HIS 336 6.417 6.453 2.232 173 HB3 HIS 336 2HB HIS 336 6.535 5.710 0.619 174 HD2 HIS 336 HD2 HIS 336 5.852 2.896 0.528 175 HE1 HIS 336 HE1 HIS 336 4.792 2.766 4.640 176 H GLY 337 H GLY 337 10.036 7.264 2.629 177 HA2 GLY 337 1HA GLY 337 11.393 8.859 1.618 178 HA3 GLY 337 2HA GLY 337 10.906 8.225 0.029 179 H VAL 338 H VAL 338 8.465 9.130 2.341 180 HA VAL 338 HA VAL 338 7.681 11.429 0.571 181 HB VAL 338 HB VAL 338 6.096 9.904 2.681 182 HG11 VAL 338 1HG1 VAL 338 4.171 11.178 1.796 183 HG12 VAL 338 2HG1 VAL 338 5.410 12.269 2.462 184 HG13 VAL 338 3HG1 VAL 338 5.260 12.061 0.700 185 HG21 VAL 338 3HG2 VAL 338 6.527 8.529 0.733 186 HG22 VAL 338 1HG2 VAL 338 4.817 9.017 0.798 187 HG23 VAL 338 2HG2 VAL 338 5.929 9.823 -0.335 188 H THR 339 H THR 339 8.292 13.327 1.094 189 HA THR 339 HA THR 339 8.710 13.969 3.978 190 HB THR 339 HB THR 339 9.813 16.014 3.158 191 HG1 THR 339 HG1 THR 339 10.094 16.228 0.858 192 HG21 THR 339 1HG2 THR 339 11.749 14.963 2.043 193 HG22 THR 339 2HG2 THR 339 11.165 13.959 3.391 194 HG23 THR 339 3HG2 THR 339 10.774 13.511 1.715 195 H ASP 340 H ASP 340 6.657 14.702 1.244 196 HA ASP 340 HA ASP 340 5.292 16.880 2.704 197 HB2 ASP 340 1HB ASP 340 5.582 16.825 0.104 198 HB3 ASP 340 2HB ASP 340 4.493 15.426 0.268 199 H LEU 341 H LEU 341 4.847 15.519 4.576 200 HA LEU 341 HA LEU 341 3.025 13.308 4.426 201 HB2 LEU 341 1HB LEU 341 4.374 13.669 6.230 202 HB3 LEU 341 2HB LEU 341 3.703 15.248 6.699 203 HG LEU 341 HG LEU 341 1.506 14.104 7.125 204 HD11 LEU 341 1HD1 LEU 341 1.550 11.612 7.412 205 HD12 LEU 341 2HD1 LEU 341 1.922 12.077 5.734 206 HD13 LEU 341 3HD1 LEU 341 3.234 11.591 6.836 207 HD21 LEU 341 3HD2 LEU 341 2.995 14.674 8.952 208 HD22 LEU 341 1HD2 LEU 341 2.182 13.127 9.291 209 HD23 LEU 341 2HD2 LEU 341 3.879 13.142 8.749 210 H ARG 342 H ARG 342 2.481 16.788 4.924 211 HA ARG 342 HA ARG 342 -0.327 16.564 5.447 212 HB2 ARG 342 1HB ARG 342 1.327 18.829 4.447 213 HB3 ARG 342 2HB ARG 342 -0.424 18.930 4.742 214 HG2 ARG 342 1HG ARG 342 -0.075 18.366 7.098 215 HG3 ARG 342 2HG ARG 342 1.675 18.213 6.812 216 HD2 ARG 342 1HD ARG 342 1.795 20.561 6.266 217 HD3 ARG 342 2HD ARG 342 0.043 20.717 6.533 218 HE ARG 342 HE ARG 342 1.213 19.832 9.022 219 HH11 ARG 342 1HH1 ARG 342 1.355 22.635 6.953 220 HH12 ARG 342 2HH1 ARG 342 1.660 23.655 8.345 221 HH21 ARG 342 1HH2 ARG 342 1.570 20.985 10.625 222 HH22 ARG 342 2HH2 ARG 342 1.784 22.716 10.439 223 H GLY 343 H GLY 343 1.482 16.978 2.423 224 HA2 GLY 343 1HA GLY 343 -0.709 17.291 0.669 225 HA3 GLY 343 2HA GLY 343 0.842 16.528 0.249 226 H MET 344 H MET 344 0.723 14.363 2.088 227 HA MET 344 HA MET 344 -1.017 12.544 0.601 228 HB2 MET 344 1HB MET 344 0.697 12.184 3.059 229 HB3 MET 344 2HB MET 344 -0.170 10.876 2.217 230 HG2 MET 344 1HG MET 344 2.015 12.611 1.024 231 HG3 MET 344 2HG MET 344 2.228 10.951 1.626 232 HE1 MET 344 3HE MET 344 1.992 12.969 -1.420 233 HE2 MET 344 1HE MET 344 0.723 12.270 -2.452 234 HE3 MET 344 2HE MET 344 0.276 13.192 -0.996 235 H LEU 345 H LEU 345 -1.075 14.088 3.778 236 HA LEU 345 HA LEU 345 -3.285 12.555 4.809 237 HB2 LEU 345 1HB LEU 345 -2.246 15.263 5.317 238 HB3 LEU 345 2HB LEU 345 -3.491 14.592 6.397 239 HG LEU 345 HG LEU 345 -0.674 13.517 5.983 240 HD11 LEU 345 1HD1 LEU 345 -0.365 14.165 8.388 241 HD12 LEU 345 2HD1 LEU 345 -0.775 15.577 7.385 242 HD13 LEU 345 3HD1 LEU 345 -2.019 14.819 8.408 243 HD21 LEU 345 3HD2 LEU 345 -2.254 11.711 6.329 244 HD22 LEU 345 1HD2 LEU 345 -1.234 11.908 7.773 245 HD23 LEU 345 2HD2 LEU 345 -2.907 12.519 7.775 246 H LYS 346 H LYS 346 -3.082 15.322 2.684 247 HA LYS 346 HA LYS 346 -5.913 15.990 2.862 248 HB2 LYS 346 1HB LYS 346 -3.748 16.607 0.853 249 HB3 LYS 346 2HB LYS 346 -5.425 17.184 0.704 250 HG2 LYS 346 1HG LYS 346 -5.203 18.396 2.832 251 HG3 LYS 346 2HG LYS 346 -3.531 17.811 2.995 252 HD2 LYS 346 1HD LYS 346 -2.922 18.973 0.909 253 HD3 LYS 346 2HD LYS 346 -4.595 19.562 0.751 254 HE2 LYS 346 1HE LYS 346 -4.378 20.772 2.873 255 HE3 LYS 346 2HE LYS 346 -2.713 20.173 3.051 256 HZ1 LYS 346 3HZ LYS 346 -3.683 21.916 0.879 257 HZ2 LYS 346 1HZ LYS 346 -2.764 22.402 2.159 258 HZ3 LYS 346 2HZ LYS 346 -2.139 21.360 1.044 259 H ARG 347 H ARG 347 -4.072 13.578 1.207 260 HA ARG 347 HA ARG 347 -6.100 13.203 -0.905 261 HB2 ARG 347 1HB ARG 347 -3.587 11.717 -0.287 262 HB3 ARG 347 2HB ARG 347 -4.711 11.344 -1.614 263 HG2 ARG 347 1HG ARG 347 -4.319 13.617 -2.535 264 HG3 ARG 347 2HG ARG 347 -3.123 13.903 -1.249 265 HD2 ARG 347 1HD ARG 347 -1.991 13.365 -3.249 266 HD3 ARG 347 2HD ARG 347 -1.826 12.005 -2.114 267 HE ARG 347 HE ARG 347 -3.959 11.435 -4.040 268 HH11 ARG 347 1HH1 ARG 347 -0.483 11.593 -3.805 269 HH12 ARG 347 2HH1 ARG 347 -0.337 10.390 -5.071 270 HH21 ARG 347 1HH2 ARG 347 -3.808 10.064 -5.498 271 HH22 ARG 347 2HH2 ARG 347 -2.233 9.518 -6.038 272 H LEU 348 H LEU 348 -5.126 11.693 2.124 273 HA LEU 348 HA LEU 348 -6.985 9.451 1.780 274 HB2 LEU 348 1HB LEU 348 -6.393 8.785 3.805 275 HB3 LEU 348 2HB LEU 348 -4.826 9.353 3.186 276 HG LEU 348 HG LEU 348 -5.569 11.584 4.457 277 HD11 LEU 348 1HD1 LEU 348 -6.699 10.993 6.618 278 HD12 LEU 348 2HD1 LEU 348 -7.743 10.633 5.223 279 HD13 LEU 348 3HD1 LEU 348 -6.876 9.317 6.049 280 HD21 LEU 348 3HD2 LEU 348 -3.498 10.379 4.827 281 HD22 LEU 348 1HD2 LEU 348 -4.219 10.840 6.387 282 HD23 LEU 348 2HD2 LEU 348 -4.347 9.161 5.808 283 H LYS 349 H LYS 349 -7.145 12.697 2.961 284 HA LYS 349 HA LYS 349 -9.685 12.183 4.404 285 HB2 LYS 349 1HB LYS 349 -8.015 13.734 5.323 286 HB3 LYS 349 2HB LYS 349 -8.167 14.741 3.864 287 HG2 LYS 349 1HG LYS 349 -10.516 15.197 4.409 288 HG3 LYS 349 2HG LYS 349 -10.390 14.163 5.852 289 HD2 LYS 349 1HD LYS 349 -8.677 15.660 6.784 290 HD3 LYS 349 2HD LYS 349 -8.784 16.689 5.336 291 HE2 LYS 349 1HE LYS 349 -11.129 17.179 5.835 292 HE3 LYS 349 2HE LYS 349 -11.059 16.116 7.260 293 HZ1 LYS 349 3HZ LYS 349 -9.480 18.579 6.880 294 HZ2 LYS 349 1HZ LYS 349 -10.798 18.427 7.860 295 HZ3 LYS 349 2HZ LYS 349 -9.414 17.594 8.201 Start of MODEL 11 1 H GLU 315 1H GLU 315 -0.219 1.804 -3.659 2 HA GLU 315 HA GLU 315 2.487 1.837 -2.736 3 HB2 GLU 315 1HB GLU 315 1.215 3.188 -5.121 4 HB3 GLU 315 2HB GLU 315 2.965 3.034 -4.841 5 HG2 GLU 315 1HG GLU 315 2.728 0.509 -4.986 6 HG3 GLU 315 2HG GLU 315 0.987 0.819 -5.181 7 H ASP 316 H ASP 316 0.008 4.308 -2.785 8 HA ASP 316 HA ASP 316 1.905 6.484 -2.249 9 HB2 ASP 316 1HB ASP 316 -1.171 6.386 -2.202 10 HB3 ASP 316 2HB ASP 316 -0.085 7.722 -1.747 11 H VAL 317 H VAL 317 1.861 7.821 -0.373 12 HA VAL 317 HA VAL 317 1.942 6.307 2.122 13 HB VAL 317 HB VAL 317 2.019 9.299 1.548 14 HG11 VAL 317 1HG1 VAL 317 2.811 9.516 3.880 15 HG12 VAL 317 2HG1 VAL 317 1.168 8.836 3.822 16 HG13 VAL 317 3HG1 VAL 317 2.562 7.771 4.128 17 HG21 VAL 317 3HG2 VAL 317 3.923 8.101 0.646 18 HG22 VAL 317 1HG2 VAL 317 4.403 9.091 2.044 19 HG23 VAL 317 2HG2 VAL 317 4.211 7.331 2.225 20 H TRP 318 H TRP 318 -0.373 8.612 0.729 21 HA TRP 318 HA TRP 318 -1.937 8.839 3.130 22 HB2 TRP 318 1HB TRP 318 -3.607 9.903 1.706 23 HB3 TRP 318 2HB TRP 318 -1.995 10.460 1.198 24 HD1 TRP 318 HD1 TRP 318 -1.176 9.795 -1.060 25 HE1 TRP 318 HE1 TRP 318 -2.366 8.823 -3.284 26 HE3 TRP 318 HE3 TRP 318 -5.540 8.268 1.052 27 HZ2 TRP 318 HZ2 TRP 318 -4.791 7.626 -3.853 28 HZ3 TRP 318 HZ3 TRP 318 -7.252 7.237 -0.308 29 HH2 TRP 318 HH2 TRP 318 -6.944 6.891 -2.722 30 H GLU 319 H GLU 319 -1.776 6.403 0.674 31 HA GLU 319 HA GLU 319 -4.342 5.174 1.276 32 HB2 GLU 319 1HB GLU 319 -1.796 4.117 0.042 33 HB3 GLU 319 2HB GLU 319 -3.303 3.182 0.195 34 HG2 GLU 319 1HG GLU 319 -4.458 4.902 -1.291 35 HG3 GLU 319 2HG GLU 319 -2.885 5.731 -1.310 36 H ILE 320 H ILE 320 -1.193 5.126 2.757 37 HA ILE 320 HA ILE 320 -1.945 2.821 4.489 38 HB ILE 320 HB ILE 320 0.564 4.560 4.459 39 HG12 ILE 320 1HG1 ILE 320 0.410 3.393 2.408 40 HG13 ILE 320 2HG1 ILE 320 1.657 2.645 3.433 41 HG21 ILE 320 1HG2 ILE 320 1.524 2.756 5.850 42 HG22 ILE 320 2HG2 ILE 320 0.113 3.495 6.644 43 HG23 ILE 320 3HG2 ILE 320 -0.045 1.915 5.841 44 HD11 ILE 320 3HD1 ILE 320 -1.156 1.582 2.994 45 HD12 ILE 320 1HD1 ILE 320 0.329 0.935 2.259 46 HD13 ILE 320 2HD1 ILE 320 0.090 0.836 4.020 47 H LEU 321 H LEU 321 -1.727 6.304 4.596 48 HA LEU 321 HA LEU 321 -1.654 6.597 7.433 49 HB2 LEU 321 1HB LEU 321 -2.910 8.215 5.314 50 HB3 LEU 321 2HB LEU 321 -2.634 8.904 6.930 51 HG LEU 321 HG LEU 321 -0.533 8.058 4.899 52 HD11 LEU 321 1HD1 LEU 321 0.110 10.481 4.995 53 HD12 LEU 321 2HD1 LEU 321 -1.580 10.281 4.477 54 HD13 LEU 321 3HD1 LEU 321 -1.215 10.771 6.148 55 HD21 LEU 321 3HD2 LEU 321 0.184 7.436 7.129 56 HD22 LEU 321 1HD2 LEU 321 1.138 8.821 6.549 57 HD23 LEU 321 2HD2 LEU 321 -0.169 9.073 7.732 58 H ARG 322 H ARG 322 -4.255 5.778 5.267 59 HA ARG 322 HA ARG 322 -6.487 6.469 6.874 60 HB2 ARG 322 1HB ARG 322 -6.720 5.779 4.617 61 HB3 ARG 322 2HB ARG 322 -6.161 4.141 5.033 62 HG2 ARG 322 1HG ARG 322 -8.125 3.818 6.458 63 HG3 ARG 322 2HG ARG 322 -8.679 5.468 6.085 64 HD2 ARG 322 1HD ARG 322 -8.926 4.850 3.756 65 HD3 ARG 322 2HD ARG 322 -8.394 3.197 4.144 66 HE ARG 322 HE ARG 322 -11.128 4.236 4.689 67 HH11 ARG 322 1HH1 ARG 322 -8.793 1.742 5.388 68 HH12 ARG 322 2HH1 ARG 322 -10.075 0.698 5.969 69 HH21 ARG 322 1HH2 ARG 322 -12.608 3.049 5.343 70 HH22 ARG 322 2HH2 ARG 322 -12.250 1.441 5.943 71 H GLN 323 H GLN 323 -4.375 3.623 7.023 72 HA GLN 323 HA GLN 323 -6.005 2.648 9.340 73 HB2 GLN 323 1HB GLN 323 -4.119 1.192 7.475 74 HB3 GLN 323 2HB GLN 323 -4.944 0.469 8.876 75 HG2 GLN 323 1HG GLN 323 -7.256 1.012 7.544 76 HG3 GLN 323 2HG GLN 323 -5.997 1.638 6.454 77 HE21 GLN 323 2HE2 GLN 323 -7.607 -0.030 5.261 78 HE22 GLN 323 1HE2 GLN 323 -6.930 -1.615 5.085 79 H ALA 324 H ALA 324 -3.111 4.155 8.547 80 HA ALA 324 HA ALA 324 -1.487 2.923 10.637 81 HB1 ALA 324 3HB ALA 324 -1.090 5.486 9.054 82 HB2 ALA 324 1HB ALA 324 0.120 4.715 10.106 83 HB3 ALA 324 2HB ALA 324 -0.440 3.883 8.636 84 HA PRO 325 HA PRO 325 -2.732 5.363 14.132 85 HB2 PRO 325 1HB PRO 325 0.217 5.337 14.810 86 HB3 PRO 325 2HB PRO 325 -1.143 4.765 15.786 87 HG2 PRO 325 1HG PRO 325 0.491 2.992 14.637 88 HG3 PRO 325 2HG PRO 325 -1.248 2.681 14.672 89 HD2 PRO 325 1HD PRO 325 0.449 3.728 12.358 90 HD3 PRO 325 2HD PRO 325 -0.823 2.500 12.328 91 HA PRO 326 HA PRO 326 -1.967 9.384 12.720 92 HB2 PRO 326 1HB PRO 326 -2.878 10.760 14.961 93 HB3 PRO 326 2HB PRO 326 -3.995 9.980 13.832 94 HG2 PRO 326 1HG PRO 326 -2.934 8.950 16.483 95 HG3 PRO 326 2HG PRO 326 -4.588 8.911 15.857 96 HD2 PRO 326 1HD PRO 326 -3.010 6.699 15.719 97 HD3 PRO 326 2HD PRO 326 -4.140 7.069 14.411 98 H SER 327 H SER 327 -0.506 8.075 15.571 99 HA SER 327 HA SER 327 1.304 10.364 16.065 100 HB2 SER 327 1HB SER 327 2.261 9.104 17.696 101 HB3 SER 327 2HB SER 327 0.492 8.954 17.812 102 HG SER 327 HG SER 327 2.362 7.058 16.864 103 H GLU 328 H GLU 328 1.189 7.567 13.981 104 HA GLU 328 HA GLU 328 4.162 7.575 13.662 105 HB2 GLU 328 1HB GLU 328 2.099 5.594 12.689 106 HB3 GLU 328 2HB GLU 328 3.870 5.435 12.580 107 HG2 GLU 328 1HG GLU 328 2.151 5.268 15.120 108 HG3 GLU 328 2HG GLU 328 3.177 4.067 14.300 109 H TYR 329 H TYR 329 1.611 9.114 12.350 110 HA TYR 329 HA TYR 329 1.639 8.595 9.587 111 HB2 TYR 329 1HB TYR 329 1.152 11.057 11.232 112 HB3 TYR 329 2HB TYR 329 1.182 11.154 9.455 113 HD1 TYR 329 HD1 TYR 329 0.054 7.971 10.041 114 HD2 TYR 329 HD2 TYR 329 -1.273 12.001 10.465 115 HE1 TYR 329 HE1 TYR 329 -2.298 7.197 9.959 116 HE2 TYR 329 HE2 TYR 329 -3.626 11.247 10.386 117 HH TYR 329 HH TYR 329 -4.540 8.010 9.527 118 H GLU 330 H GLU 330 3.672 10.953 11.345 119 HA GLU 330 HA GLU 330 5.154 11.895 9.137 120 HB2 GLU 330 1HB GLU 330 5.255 12.824 11.404 121 HB3 GLU 330 2HB GLU 330 6.113 11.363 11.954 122 HG2 GLU 330 1HG GLU 330 8.041 11.962 10.411 123 HG3 GLU 330 2HG GLU 330 7.034 13.340 9.910 124 H ARG 331 H ARG 331 5.670 8.974 11.085 125 HA ARG 331 HA ARG 331 8.170 8.315 9.735 126 HB2 ARG 331 1HB ARG 331 6.402 6.755 11.558 127 HB3 ARG 331 2HB ARG 331 7.893 6.125 10.819 128 HG2 ARG 331 1HG ARG 331 9.223 7.798 11.951 129 HG3 ARG 331 2HG ARG 331 7.758 8.581 12.591 130 HD2 ARG 331 1HD ARG 331 7.290 6.659 13.943 131 HD3 ARG 331 2HD ARG 331 8.698 5.811 13.262 132 HE ARG 331 HE ARG 331 9.765 8.117 14.561 133 HH11 ARG 331 1HH1 ARG 331 7.819 5.399 15.552 134 HH12 ARG 331 2HH1 ARG 331 8.519 5.476 17.157 135 HH21 ARG 331 1HH2 ARG 331 10.570 8.223 16.397 136 HH22 ARG 331 2HH2 ARG 331 10.087 7.086 17.640 137 H ILE 332 H ILE 332 4.780 7.381 9.355 138 HA ILE 332 HA ILE 332 5.190 5.279 7.445 139 HB ILE 332 HB ILE 332 2.884 7.250 7.783 140 HG12 ILE 332 1HG1 ILE 332 3.272 5.867 9.710 141 HG13 ILE 332 2HG1 ILE 332 1.748 5.457 8.887 142 HG21 ILE 332 1HG2 ILE 332 1.576 5.651 6.426 143 HG22 ILE 332 2HG2 ILE 332 2.938 6.314 5.496 144 HG23 ILE 332 3HG2 ILE 332 3.039 4.671 6.169 145 HD11 ILE 332 3HD1 ILE 332 4.353 3.903 8.686 146 HD12 ILE 332 1HD1 ILE 332 2.928 3.429 9.638 147 HD13 ILE 332 2HD1 ILE 332 2.830 3.494 7.863 148 H ALA 333 H ALA 333 4.881 8.780 6.994 149 HA ALA 333 HA ALA 333 5.073 8.674 4.136 150 HB1 ALA 333 3HB ALA 333 5.890 10.873 6.066 151 HB2 ALA 333 1HB ALA 333 5.686 11.056 4.309 152 HB3 ALA 333 2HB ALA 333 4.283 10.666 5.331 153 H PHE 334 H PHE 334 7.511 8.868 6.703 154 HA PHE 334 HA PHE 334 9.754 9.333 4.963 155 HB2 PHE 334 1HB PHE 334 9.521 8.151 7.758 156 HB3 PHE 334 2HB PHE 334 11.075 8.418 6.938 157 HD1 PHE 334 HD1 PHE 334 9.455 11.007 5.639 158 HD2 PHE 334 HD2 PHE 334 10.676 9.612 9.489 159 HE1 PHE 334 HE1 PHE 334 9.496 13.336 6.469 160 HE2 PHE 334 HE2 PHE 334 10.716 11.940 10.322 161 HZ PHE 334 HZ PHE 334 10.127 13.802 8.810 162 H GLN 335 H GLN 335 8.027 6.431 5.893 163 HA GLN 335 HA GLN 335 9.998 4.528 5.050 164 HB2 GLN 335 1HB GLN 335 6.980 4.447 5.158 165 HB3 GLN 335 2HB GLN 335 7.982 3.050 4.698 166 HG2 GLN 335 1HG GLN 335 9.051 3.229 7.186 167 HG3 GLN 335 2HG GLN 335 7.920 4.602 7.135 168 HE21 GLN 335 2HE2 GLN 335 7.836 2.626 9.120 169 HE22 GLN 335 1HE2 GLN 335 6.373 1.716 8.939 170 H HIS 336 H HIS 336 7.810 6.564 3.270 171 HA HIS 336 HA HIS 336 8.425 5.042 0.769 172 HB2 HIS 336 1HB HIS 336 6.272 7.115 1.391 173 HB3 HIS 336 2HB HIS 336 6.555 6.397 -0.213 174 HD2 HIS 336 HD2 HIS 336 5.487 3.736 -0.553 175 HE1 HIS 336 HE1 HIS 336 3.822 3.618 3.353 176 H GLY 337 H GLY 337 9.779 7.414 2.494 177 HA2 GLY 337 1HA GLY 337 11.450 8.912 1.868 178 HA3 GLY 337 2HA GLY 337 11.165 8.484 0.165 179 H VAL 338 H VAL 338 8.498 9.449 2.195 180 HA VAL 338 HA VAL 338 8.267 12.005 0.620 181 HB VAL 338 HB VAL 338 6.155 10.397 2.118 182 HG11 VAL 338 1HG1 VAL 338 4.568 11.997 1.102 183 HG12 VAL 338 2HG1 VAL 338 5.731 12.832 2.160 184 HG13 VAL 338 3HG1 VAL 338 5.931 12.897 0.393 185 HG21 VAL 338 3HG2 VAL 338 6.863 9.276 0.089 186 HG22 VAL 338 1HG2 VAL 338 5.224 9.942 -0.094 187 HG23 VAL 338 2HG2 VAL 338 6.609 10.768 -0.847 188 H THR 339 H THR 339 8.482 13.871 1.488 189 HA THR 339 HA THR 339 8.586 14.020 4.476 190 HB THR 339 HB THR 339 9.767 16.154 4.153 191 HG1 THR 339 HG1 THR 339 10.343 16.746 1.977 192 HG21 THR 339 1HG2 THR 339 11.845 15.283 3.140 193 HG22 THR 339 2HG2 THR 339 11.101 14.075 4.215 194 HG23 THR 339 3HG2 THR 339 10.936 13.917 2.450 195 H ASP 340 H ASP 340 6.734 14.931 1.726 196 HA ASP 340 HA ASP 340 5.345 17.119 3.146 197 HB2 ASP 340 1HB ASP 340 5.770 17.088 0.562 198 HB3 ASP 340 2HB ASP 340 4.634 15.719 0.652 199 H LEU 341 H LEU 341 4.775 15.737 4.971 200 HA LEU 341 HA LEU 341 2.870 13.599 4.666 201 HB2 LEU 341 1HB LEU 341 4.194 13.841 6.523 202 HB3 LEU 341 2HB LEU 341 3.539 15.410 7.047 203 HG LEU 341 HG LEU 341 1.304 14.290 7.337 204 HD11 LEU 341 1HD1 LEU 341 1.299 11.787 7.514 205 HD12 LEU 341 2HD1 LEU 341 1.740 12.319 5.874 206 HD13 LEU 341 3HD1 LEU 341 3.003 11.762 7.000 207 HD21 LEU 341 3HD2 LEU 341 2.732 14.753 9.241 208 HD22 LEU 341 1HD2 LEU 341 1.883 13.207 9.481 209 HD23 LEU 341 2HD2 LEU 341 3.599 13.216 9.003 210 H ARG 342 H ARG 342 2.515 17.091 5.118 211 HA ARG 342 HA ARG 342 -0.316 17.041 5.613 212 HB2 ARG 342 1HB ARG 342 1.506 19.183 4.638 213 HB3 ARG 342 2HB ARG 342 -0.246 19.402 4.859 214 HG2 ARG 342 1HG ARG 342 -0.018 18.825 7.238 215 HG3 ARG 342 2HG ARG 342 1.736 18.613 7.017 216 HD2 ARG 342 1HD ARG 342 1.970 20.941 6.482 217 HD3 ARG 342 2HD ARG 342 0.211 21.169 6.623 218 HE ARG 342 HE ARG 342 1.217 20.272 9.196 219 HH11 ARG 342 1HH1 ARG 342 1.421 23.066 7.119 220 HH12 ARG 342 2HH1 ARG 342 1.626 24.100 8.519 221 HH21 ARG 342 1HH2 ARG 342 1.458 21.443 10.809 222 HH22 ARG 342 2HH2 ARG 342 1.648 23.176 10.625 223 H GLY 343 H GLY 343 1.582 17.258 2.628 224 HA2 GLY 343 1HA GLY 343 -0.625 17.583 0.847 225 HA3 GLY 343 2HA GLY 343 0.950 16.862 0.440 226 H MET 344 H MET 344 0.883 14.712 2.303 227 HA MET 344 HA MET 344 -0.789 12.807 0.870 228 HB2 MET 344 1HB MET 344 0.812 12.599 3.421 229 HB3 MET 344 2HB MET 344 0.003 11.237 2.608 230 HG2 MET 344 1HG MET 344 2.238 12.938 1.459 231 HG3 MET 344 2HG MET 344 2.410 11.291 2.111 232 HE1 MET 344 3HE MET 344 2.367 13.221 -0.991 233 HE2 MET 344 1HE MET 344 1.145 12.511 -2.075 234 HE3 MET 344 2HE MET 344 0.634 13.481 -0.671 235 H LEU 345 H LEU 345 -1.085 14.629 3.857 236 HA LEU 345 HA LEU 345 -3.420 13.151 4.788 237 HB2 LEU 345 1HB LEU 345 -2.217 15.776 5.348 238 HB3 LEU 345 2HB LEU 345 -3.645 15.281 6.287 239 HG LEU 345 HG LEU 345 -0.956 13.856 6.234 240 HD11 LEU 345 1HD1 LEU 345 -0.779 14.630 8.613 241 HD12 LEU 345 2HD1 LEU 345 -0.894 16.007 7.492 242 HD13 LEU 345 3HD1 LEU 345 -2.320 15.499 8.429 243 HD21 LEU 345 3HD2 LEU 345 -2.799 12.308 6.525 244 HD22 LEU 345 1HD2 LEU 345 -1.896 12.471 8.050 245 HD23 LEU 345 2HD2 LEU 345 -3.460 13.298 7.848 246 H LYS 346 H LYS 346 -2.871 15.917 2.699 247 HA LYS 346 HA LYS 346 -5.676 16.628 2.460 248 HB2 LYS 346 1HB LYS 346 -3.252 17.075 0.724 249 HB3 LYS 346 2HB LYS 346 -4.879 17.652 0.292 250 HG2 LYS 346 1HG LYS 346 -4.945 19.019 2.333 251 HG3 LYS 346 2HG LYS 346 -3.328 18.429 2.786 252 HD2 LYS 346 1HD LYS 346 -2.401 19.416 0.716 253 HD3 LYS 346 2HD LYS 346 -4.018 20.037 0.302 254 HE2 LYS 346 1HE LYS 346 -4.038 21.383 2.350 255 HE3 LYS 346 2HE LYS 346 -2.437 20.748 2.792 256 HZ1 LYS 346 3HZ LYS 346 -3.038 22.368 0.401 257 HZ2 LYS 346 1HZ LYS 346 -2.282 22.911 1.763 258 HZ3 LYS 346 2HZ LYS 346 -1.552 21.779 0.810 259 H ARG 347 H ARG 347 -3.538 14.372 0.768 260 HA ARG 347 HA ARG 347 -5.621 13.529 -1.100 261 HB2 ARG 347 1HB ARG 347 -2.983 12.354 -0.366 262 HB3 ARG 347 2HB ARG 347 -4.125 11.621 -1.516 263 HG2 ARG 347 1HG ARG 347 -4.003 13.661 -2.906 264 HG3 ARG 347 2HG ARG 347 -2.814 14.345 -1.771 265 HD2 ARG 347 1HD ARG 347 -1.277 12.563 -2.300 266 HD3 ARG 347 2HD ARG 347 -2.467 11.863 -3.423 267 HE ARG 347 HE ARG 347 -1.883 14.501 -4.403 268 HH11 ARG 347 1HH1 ARG 347 -0.105 11.557 -3.832 269 HH12 ARG 347 2HH1 ARG 347 0.978 11.946 -5.153 270 HH21 ARG 347 1HH2 ARG 347 -0.647 14.966 -5.914 271 HH22 ARG 347 2HH2 ARG 347 0.671 13.891 -6.341 272 H LEU 348 H LEU 348 -4.611 12.627 2.126 273 HA LEU 348 HA LEU 348 -6.058 10.139 2.258 274 HB2 LEU 348 1HB LEU 348 -4.401 10.680 3.737 275 HB3 LEU 348 2HB LEU 348 -5.182 12.121 4.427 276 HG LEU 348 HG LEU 348 -7.039 10.607 5.231 277 HD11 LEU 348 1HD1 LEU 348 -6.493 8.165 5.415 278 HD12 LEU 348 2HD1 LEU 348 -6.560 8.686 3.715 279 HD13 LEU 348 3HD1 LEU 348 -4.987 8.450 4.513 280 HD21 LEU 348 3HD2 LEU 348 -5.337 11.441 6.742 281 HD22 LEU 348 1HD2 LEU 348 -5.773 9.773 7.182 282 HD23 LEU 348 2HD2 LEU 348 -4.254 10.096 6.311 283 H LYS 349 H LYS 349 -6.954 13.437 3.305 284 HA LYS 349 HA LYS 349 -9.710 12.534 3.840 285 HB2 LYS 349 1HB LYS 349 -8.571 14.169 5.283 286 HB3 LYS 349 2HB LYS 349 -8.464 15.287 3.901 287 HG2 LYS 349 1HG LYS 349 -10.903 15.430 3.797 288 HG3 LYS 349 2HG LYS 349 -11.045 14.262 5.131 289 HD2 LYS 349 1HD LYS 349 -9.866 15.823 6.626 290 HD3 LYS 349 2HD LYS 349 -9.719 16.991 5.292 291 HE2 LYS 349 1HE LYS 349 -12.163 17.139 5.141 292 HE3 LYS 349 2HE LYS 349 -12.322 15.957 6.460 293 HZ1 LYS 349 3HZ LYS 349 -11.065 18.617 6.682 294 HZ2 LYS 349 1HZ LYS 349 -12.559 18.212 7.252 295 HZ3 LYS 349 2HZ LYS 349 -11.212 17.520 7.907 Start of MODEL 12 1 H GLU 315 1H GLU 315 1.744 -0.784 -0.202 2 HA GLU 315 HA GLU 315 -0.073 0.772 -1.769 3 HB2 GLU 315 1HB GLU 315 0.328 0.671 1.225 4 HB3 GLU 315 2HB GLU 315 -1.055 1.423 0.394 5 HG2 GLU 315 1HG GLU 315 -1.675 -0.877 -0.527 6 HG3 GLU 315 2HG GLU 315 -0.243 -1.454 0.357 7 H ASP 316 H ASP 316 -0.704 2.978 -1.507 8 HA ASP 316 HA ASP 316 1.593 4.767 -1.661 9 HB2 ASP 316 1HB ASP 316 -1.433 5.329 -1.708 10 HB3 ASP 316 2HB ASP 316 -0.075 6.479 -1.759 11 H VAL 317 H VAL 317 1.891 6.692 -0.431 12 HA VAL 317 HA VAL 317 2.113 6.137 2.380 13 HB VAL 317 HB VAL 317 3.489 7.833 1.083 14 HG11 VAL 317 1HG1 VAL 317 2.527 10.098 0.842 15 HG12 VAL 317 2HG1 VAL 317 1.621 8.911 -0.126 16 HG13 VAL 317 3HG1 VAL 317 0.957 9.493 1.419 17 HG21 VAL 317 3HG2 VAL 317 3.532 7.732 3.503 18 HG22 VAL 317 1HG2 VAL 317 3.632 9.416 2.940 19 HG23 VAL 317 2HG2 VAL 317 2.100 8.786 3.592 20 H TRP 318 H TRP 318 -0.421 7.718 0.527 21 HA TRP 318 HA TRP 318 -1.745 8.643 3.003 22 HB2 TRP 318 1HB TRP 318 -3.416 9.601 1.458 23 HB3 TRP 318 2HB TRP 318 -1.772 10.058 0.949 24 HD1 TRP 318 HD1 TRP 318 -0.925 9.173 -1.219 25 HE1 TRP 318 HE1 TRP 318 -2.089 8.037 -3.378 26 HE3 TRP 318 HE3 TRP 318 -5.381 7.961 0.906 27 HZ2 TRP 318 HZ2 TRP 318 -4.533 6.859 -3.901 28 HZ3 TRP 318 HZ3 TRP 318 -7.088 6.857 -0.402 29 HH2 TRP 318 HH2 TRP 318 -6.732 6.285 -2.765 30 H GLU 319 H GLU 319 -1.895 5.956 0.801 31 HA GLU 319 HA GLU 319 -4.509 5.007 1.632 32 HB2 GLU 319 1HB GLU 319 -2.106 3.691 0.375 33 HB3 GLU 319 2HB GLU 319 -3.596 2.806 0.782 34 HG2 GLU 319 1HG GLU 319 -4.887 4.247 -0.826 35 HG3 GLU 319 2HG GLU 319 -3.388 5.184 -1.015 36 H ILE 320 H ILE 320 -1.206 4.494 2.800 37 HA ILE 320 HA ILE 320 -2.088 2.661 4.927 38 HB ILE 320 HB ILE 320 0.513 4.187 4.457 39 HG12 ILE 320 1HG1 ILE 320 -0.062 1.246 4.239 40 HG13 ILE 320 2HG1 ILE 320 -0.098 2.381 2.871 41 HG21 ILE 320 1HG2 ILE 320 1.446 2.771 6.255 42 HG22 ILE 320 2HG2 ILE 320 0.131 3.801 6.868 43 HG23 ILE 320 3HG2 ILE 320 -0.166 2.077 6.546 44 HD11 ILE 320 3HD1 ILE 320 2.312 1.783 4.623 45 HD12 ILE 320 1HD1 ILE 320 2.050 1.178 2.972 46 HD13 ILE 320 2HD1 ILE 320 2.277 2.920 3.255 47 H LEU 321 H LEU 321 -1.324 6.107 4.689 48 HA LEU 321 HA LEU 321 -1.513 6.711 7.457 49 HB2 LEU 321 1HB LEU 321 -1.732 8.009 4.919 50 HB3 LEU 321 2HB LEU 321 -2.580 8.955 6.164 51 HG LEU 321 HG LEU 321 -0.619 9.424 7.336 52 HD11 LEU 321 1HD1 LEU 321 1.528 8.170 7.001 53 HD12 LEU 321 2HD1 LEU 321 0.204 7.074 7.461 54 HD13 LEU 321 3HD1 LEU 321 0.731 7.169 5.764 55 HD21 LEU 321 3HD2 LEU 321 -0.642 10.612 5.223 56 HD22 LEU 321 1HD2 LEU 321 1.033 10.234 5.689 57 HD23 LEU 321 2HD2 LEU 321 0.221 9.274 4.428 58 H ARG 322 H ARG 322 -4.005 6.018 5.108 59 HA ARG 322 HA ARG 322 -6.253 7.122 6.435 60 HB2 ARG 322 1HB ARG 322 -6.348 6.254 4.213 61 HB3 ARG 322 2HB ARG 322 -6.111 4.604 4.836 62 HG2 ARG 322 1HG ARG 322 -8.232 4.736 6.046 63 HG3 ARG 322 2HG ARG 322 -8.464 6.408 5.482 64 HD2 ARG 322 1HD ARG 322 -8.570 5.601 3.193 65 HD3 ARG 322 2HD ARG 322 -8.389 3.934 3.786 66 HE ARG 322 HE ARG 322 -10.929 5.475 3.905 67 HH11 ARG 322 1HH1 ARG 322 -9.167 2.716 5.106 68 HH12 ARG 322 2HH1 ARG 322 -10.668 1.974 5.624 69 HH21 ARG 322 1HH2 ARG 322 -12.658 4.635 4.485 70 HH22 ARG 322 2HH2 ARG 322 -12.660 3.067 5.269 71 H GLN 323 H GLN 323 -4.542 4.075 7.021 72 HA GLN 323 HA GLN 323 -6.473 3.532 9.250 73 HB2 GLN 323 1HB GLN 323 -4.739 1.658 7.626 74 HB3 GLN 323 2HB GLN 323 -5.738 1.184 9.021 75 HG2 GLN 323 1HG GLN 323 -7.866 1.958 7.510 76 HG3 GLN 323 2HG GLN 323 -6.470 2.302 6.460 77 HE21 GLN 323 2HE2 GLN 323 -8.242 0.807 5.278 78 HE22 GLN 323 1HE2 GLN 323 -7.813 -0.871 5.260 79 H ALA 324 H ALA 324 -3.326 4.490 8.554 80 HA ALA 324 HA ALA 324 -2.046 3.187 10.828 81 HB1 ALA 324 3HB ALA 324 -1.146 5.521 9.104 82 HB2 ALA 324 1HB ALA 324 -0.139 4.652 10.284 83 HB3 ALA 324 2HB ALA 324 -0.747 3.807 8.840 84 HA PRO 325 HA PRO 325 -3.118 6.076 14.029 85 HB2 PRO 325 1HB PRO 325 -0.348 5.457 15.062 86 HB3 PRO 325 2HB PRO 325 -1.901 5.246 15.881 87 HG2 PRO 325 1HG PRO 325 -0.564 3.103 15.004 88 HG3 PRO 325 2HG PRO 325 -2.325 3.165 14.843 89 HD2 PRO 325 1HD PRO 325 -0.203 3.697 12.709 90 HD3 PRO 325 2HD PRO 325 -1.692 2.753 12.575 91 HA PRO 326 HA PRO 326 -1.444 9.865 12.737 92 HB2 PRO 326 1HB PRO 326 -1.634 10.591 15.689 93 HB3 PRO 326 2HB PRO 326 -2.298 11.455 14.295 94 HG2 PRO 326 1HG PRO 326 -3.936 10.049 15.856 95 HG3 PRO 326 2HG PRO 326 -4.156 9.996 14.101 96 HD2 PRO 326 1HD PRO 326 -2.887 7.912 15.923 97 HD3 PRO 326 2HD PRO 326 -3.943 7.669 14.527 98 H SER 327 H SER 327 -0.108 8.184 15.530 99 HA SER 327 HA SER 327 2.312 9.825 15.737 100 HB2 SER 327 1HB SER 327 3.056 8.318 17.282 101 HB3 SER 327 2HB SER 327 1.341 8.686 17.582 102 HG SER 327 HG SER 327 2.460 6.342 16.456 103 H GLU 328 H GLU 328 1.251 7.262 13.653 104 HA GLU 328 HA GLU 328 4.061 6.421 13.073 105 HB2 GLU 328 1HB GLU 328 1.468 5.194 12.135 106 HB3 GLU 328 2HB GLU 328 3.107 4.514 11.994 107 HG2 GLU 328 1HG GLU 328 1.478 4.826 14.584 108 HG3 GLU 328 2HG GLU 328 1.965 3.376 13.677 109 H TYR 329 H TYR 329 1.953 8.695 12.034 110 HA TYR 329 HA TYR 329 1.929 8.363 9.192 111 HB2 TYR 329 1HB TYR 329 1.758 10.757 11.013 112 HB3 TYR 329 2HB TYR 329 1.722 10.909 9.240 113 HD1 TYR 329 HD1 TYR 329 0.235 7.892 9.640 114 HD2 TYR 329 HD2 TYR 329 -0.559 11.985 10.539 115 HE1 TYR 329 HE1 TYR 329 -2.195 7.411 9.649 116 HE2 TYR 329 HE2 TYR 329 -2.987 11.522 10.552 117 HH TYR 329 HH TYR 329 -4.288 8.261 9.891 118 H GLU 330 H GLU 330 4.273 9.925 11.352 119 HA GLU 330 HA GLU 330 5.936 10.916 9.192 120 HB2 GLU 330 1HB GLU 330 6.455 10.386 12.118 121 HB3 GLU 330 2HB GLU 330 7.648 11.103 11.009 122 HG2 GLU 330 1HG GLU 330 6.094 13.066 10.645 123 HG3 GLU 330 2HG GLU 330 4.943 12.186 11.675 124 H ARG 331 H ARG 331 5.751 7.890 10.958 125 HA ARG 331 HA ARG 331 8.336 6.909 10.058 126 HB2 ARG 331 1HB ARG 331 5.974 5.563 11.272 127 HB3 ARG 331 2HB ARG 331 7.433 4.702 10.730 128 HG2 ARG 331 1HG ARG 331 8.801 5.877 12.317 129 HG3 ARG 331 2HG ARG 331 7.457 6.961 12.749 130 HD2 ARG 331 1HD ARG 331 6.289 5.193 13.801 131 HD3 ARG 331 2HD ARG 331 7.475 4.000 13.222 132 HE ARG 331 HE ARG 331 8.947 5.738 14.937 133 HH11 ARG 331 1HH1 ARG 331 6.114 3.739 15.303 134 HH12 ARG 331 2HH1 ARG 331 6.510 3.475 16.990 135 HH21 ARG 331 1HH2 ARG 331 9.410 5.454 16.869 136 HH22 ARG 331 2HH2 ARG 331 8.389 4.453 17.884 137 H ILE 332 H ILE 332 5.029 6.705 8.838 138 HA ILE 332 HA ILE 332 5.759 4.885 6.652 139 HB ILE 332 HB ILE 332 3.317 6.670 7.072 140 HG12 ILE 332 1HG1 ILE 332 3.505 5.021 8.786 141 HG13 ILE 332 2HG1 ILE 332 2.163 4.643 7.680 142 HG21 ILE 332 1HG2 ILE 332 2.277 5.275 5.316 143 HG22 ILE 332 2HG2 ILE 332 3.701 6.135 4.689 144 HG23 ILE 332 3HG2 ILE 332 3.814 4.407 5.094 145 HD11 ILE 332 3HD1 ILE 332 4.900 3.320 7.673 146 HD12 ILE 332 1HD1 ILE 332 3.400 2.606 8.308 147 HD13 ILE 332 2HD1 ILE 332 3.559 2.943 6.567 148 H ALA 333 H ALA 333 5.168 8.378 6.917 149 HA ALA 333 HA ALA 333 5.687 8.969 4.185 150 HB1 ALA 333 3HB ALA 333 6.223 10.659 6.652 151 HB2 ALA 333 1HB ALA 333 6.164 11.253 4.977 152 HB3 ALA 333 2HB ALA 333 4.698 10.592 5.738 153 H PHE 334 H PHE 334 7.877 8.573 6.942 154 HA PHE 334 HA PHE 334 10.294 9.380 5.688 155 HB2 PHE 334 1HB PHE 334 10.187 8.875 8.088 156 HB3 PHE 334 2HB PHE 334 9.815 7.172 7.737 157 HD1 PHE 334 HD1 PHE 334 12.415 9.791 7.441 158 HD2 PHE 334 HD2 PHE 334 11.500 5.619 7.336 159 HE1 PHE 334 HE1 PHE 334 14.830 9.263 7.456 160 HE2 PHE 334 HE2 PHE 334 13.914 5.087 7.353 161 HZ PHE 334 HZ PHE 334 15.580 6.910 7.411 162 H GLN 335 H GLN 335 8.724 6.177 5.708 163 HA GLN 335 HA GLN 335 10.832 4.910 4.200 164 HB2 GLN 335 1HB GLN 335 7.924 4.216 4.651 165 HB3 GLN 335 2HB GLN 335 9.069 3.175 3.771 166 HG2 GLN 335 1HG GLN 335 10.454 3.022 6.088 167 HG3 GLN 335 2HG GLN 335 9.141 4.153 6.490 168 HE21 GLN 335 2HE2 GLN 335 9.647 1.848 7.982 169 HE22 GLN 335 1HE2 GLN 335 8.328 0.742 7.775 170 H HIS 336 H HIS 336 7.884 6.606 3.286 171 HA HIS 336 HA HIS 336 8.149 5.834 0.464 172 HB2 HIS 336 1HB HIS 336 6.301 7.695 1.999 173 HB3 HIS 336 2HB HIS 336 6.312 7.639 0.220 174 HD2 HIS 336 HD2 HIS 336 4.705 5.580 -0.873 175 HE1 HIS 336 HE1 HIS 336 4.124 3.561 2.819 176 H GLY 337 H GLY 337 9.373 8.313 2.522 177 HA2 GLY 337 1HA GLY 337 11.079 9.832 1.954 178 HA3 GLY 337 2HA GLY 337 10.817 9.472 0.232 179 H VAL 338 H VAL 338 8.134 10.224 2.343 180 HA VAL 338 HA VAL 338 7.534 12.645 0.715 181 HB VAL 338 HB VAL 338 5.963 11.231 2.909 182 HG11 VAL 338 1HG1 VAL 338 4.092 12.671 2.171 183 HG12 VAL 338 2HG1 VAL 338 5.453 13.646 2.776 184 HG13 VAL 338 3HG1 VAL 338 5.177 13.491 1.024 185 HG21 VAL 338 3HG2 VAL 338 6.162 9.873 0.913 186 HG22 VAL 338 1HG2 VAL 338 4.504 10.490 1.094 187 HG23 VAL 338 2HG2 VAL 338 5.604 11.232 -0.092 188 H THR 339 H THR 339 8.012 14.589 1.202 189 HA THR 339 HA THR 339 8.867 15.190 3.997 190 HB THR 339 HB THR 339 9.762 17.283 3.065 191 HG1 THR 339 HG1 THR 339 9.652 17.566 0.758 192 HG21 THR 339 1HG2 THR 339 11.517 16.327 1.614 193 HG22 THR 339 2HG2 THR 339 11.193 15.270 3.009 194 HG23 THR 339 3HG2 THR 339 10.543 14.852 1.408 195 H ASP 340 H ASP 340 6.344 15.842 1.683 196 HA ASP 340 HA ASP 340 5.120 17.804 3.576 197 HB2 ASP 340 1HB ASP 340 5.238 18.280 0.997 198 HB3 ASP 340 2HB ASP 340 4.162 16.861 0.956 199 H LEU 341 H LEU 341 4.763 16.160 5.177 200 HA LEU 341 HA LEU 341 3.101 13.875 4.687 201 HB2 LEU 341 1HB LEU 341 4.470 14.004 6.496 202 HB3 LEU 341 2HB LEU 341 3.740 15.445 7.239 203 HG LEU 341 HG LEU 341 1.622 14.136 7.541 204 HD11 LEU 341 1HD1 LEU 341 1.779 11.636 7.386 205 HD12 LEU 341 2HD1 LEU 341 2.060 12.402 5.805 206 HD13 LEU 341 3HD1 LEU 341 3.436 11.795 6.757 207 HD21 LEU 341 3HD2 LEU 341 3.163 14.450 9.387 208 HD22 LEU 341 1HD2 LEU 341 2.429 12.832 9.478 209 HD23 LEU 341 2HD2 LEU 341 4.098 13.021 8.888 210 H ARG 342 H ARG 342 2.326 17.175 5.755 211 HA ARG 342 HA ARG 342 -0.456 16.619 6.267 212 HB2 ARG 342 1HB ARG 342 1.009 19.165 5.769 213 HB3 ARG 342 2HB ARG 342 -0.738 19.064 6.088 214 HG2 ARG 342 1HG ARG 342 -0.308 18.055 8.268 215 HG3 ARG 342 2HG ARG 342 1.444 18.077 7.949 216 HD2 ARG 342 1HD ARG 342 1.404 20.493 7.902 217 HD3 ARG 342 2HD ARG 342 -0.347 20.471 8.219 218 HE ARG 342 HE ARG 342 0.930 19.165 10.451 219 HH11 ARG 342 1HH1 ARG 342 0.895 22.339 9.010 220 HH12 ARG 342 2HH1 ARG 342 1.186 23.062 10.579 221 HH21 ARG 342 1HH2 ARG 342 1.271 19.977 12.255 222 HH22 ARG 342 2HH2 ARG 342 1.401 21.716 12.431 223 H GLY 343 H GLY 343 1.300 17.702 3.393 224 HA2 GLY 343 1HA GLY 343 -0.946 18.320 1.772 225 HA3 GLY 343 2HA GLY 343 0.639 17.772 1.179 226 H MET 344 H MET 344 0.717 15.236 2.408 227 HA MET 344 HA MET 344 -0.931 13.709 0.553 228 HB2 MET 344 1HB MET 344 0.838 12.918 2.866 229 HB3 MET 344 2HB MET 344 0.018 11.767 1.783 230 HG2 MET 344 1HG MET 344 2.084 13.829 0.954 231 HG3 MET 344 2HG MET 344 2.387 12.090 1.177 232 HE1 MET 344 3HE MET 344 1.946 14.719 -1.346 233 HE2 MET 344 1HE MET 344 0.689 14.180 -2.486 234 HE3 MET 344 2HE MET 344 0.234 14.729 -0.853 235 H LEU 345 H LEU 345 -1.102 14.509 3.983 236 HA LEU 345 HA LEU 345 -3.342 12.748 4.534 237 HB2 LEU 345 1HB LEU 345 -2.217 15.178 5.746 238 HB3 LEU 345 2HB LEU 345 -3.590 14.393 6.559 239 HG LEU 345 HG LEU 345 -0.876 13.122 6.033 240 HD11 LEU 345 1HD1 LEU 345 -0.585 13.278 8.520 241 HD12 LEU 345 2HD1 LEU 345 -0.777 14.888 7.788 242 HD13 LEU 345 3HD1 LEU 345 -2.145 14.124 8.633 243 HD21 LEU 345 3HD2 LEU 345 -2.680 11.503 6.011 244 HD22 LEU 345 1HD2 LEU 345 -1.700 11.301 7.483 245 HD23 LEU 345 2HD2 LEU 345 -3.284 12.111 7.571 246 H LYS 346 H LYS 346 -3.018 15.985 3.236 247 HA LYS 346 HA LYS 346 -5.892 16.546 3.421 248 HB2 LYS 346 1HB LYS 346 -3.581 17.849 1.986 249 HB3 LYS 346 2HB LYS 346 -5.264 18.407 1.836 250 HG2 LYS 346 1HG LYS 346 -5.344 18.836 4.257 251 HG3 LYS 346 2HG LYS 346 -3.664 18.270 4.414 252 HD2 LYS 346 1HD LYS 346 -2.925 20.079 2.897 253 HD3 LYS 346 2HD LYS 346 -4.606 20.656 2.786 254 HE2 LYS 346 1HE LYS 346 -4.631 21.061 5.209 255 HE3 LYS 346 2HE LYS 346 -2.954 20.481 5.325 256 HZ1 LYS 346 3HZ LYS 346 -3.850 22.840 3.797 257 HZ2 LYS 346 1HZ LYS 346 -3.063 22.878 5.247 258 HZ3 LYS 346 2HZ LYS 346 -2.294 22.302 3.905 259 H ARG 347 H ARG 347 -3.663 15.263 1.006 260 HA ARG 347 HA ARG 347 -5.832 15.104 -1.005 261 HB2 ARG 347 1HB ARG 347 -2.977 14.243 -1.110 262 HB3 ARG 347 2HB ARG 347 -4.169 14.050 -2.417 263 HG2 ARG 347 1HG ARG 347 -3.453 16.735 -1.213 264 HG3 ARG 347 2HG ARG 347 -2.593 16.038 -2.608 265 HD2 ARG 347 1HD ARG 347 -4.736 15.947 -3.807 266 HD3 ARG 347 2HD ARG 347 -5.492 16.789 -2.435 267 HE ARG 347 HE ARG 347 -3.406 18.518 -3.377 268 HH11 ARG 347 1HH1 ARG 347 -6.309 17.118 -4.706 269 HH12 ARG 347 2HH1 ARG 347 -6.510 18.512 -5.750 270 HH21 ARG 347 1HH2 ARG 347 -3.617 20.117 -4.572 271 HH22 ARG 347 2HH2 ARG 347 -4.976 20.222 -5.675 272 H LEU 348 H LEU 348 -4.865 13.321 1.648 273 HA LEU 348 HA LEU 348 -5.141 10.636 0.838 274 HB2 LEU 348 1HB LEU 348 -4.582 11.601 2.991 275 HB3 LEU 348 2HB LEU 348 -6.295 11.823 3.417 276 HG LEU 348 HG LEU 348 -5.016 9.161 2.692 277 HD11 LEU 348 1HD1 LEU 348 -5.222 8.633 5.135 278 HD12 LEU 348 2HD1 LEU 348 -4.147 10.025 4.863 279 HD13 LEU 348 3HD1 LEU 348 -5.815 10.285 5.427 280 HD21 LEU 348 3HD2 LEU 348 -7.383 9.275 2.177 281 HD22 LEU 348 1HD2 LEU 348 -7.116 8.199 3.569 282 HD23 LEU 348 2HD2 LEU 348 -7.744 9.845 3.825 283 H LYS 349 H LYS 349 -7.773 12.771 1.988 284 HA LYS 349 HA LYS 349 -9.746 10.862 0.859 285 HB2 LYS 349 1HB LYS 349 -10.072 11.814 3.103 286 HB3 LYS 349 2HB LYS 349 -10.108 13.444 2.388 287 HG2 LYS 349 1HG LYS 349 -12.132 12.868 1.132 288 HG3 LYS 349 2HG LYS 349 -12.086 11.216 1.794 289 HD2 LYS 349 1HD LYS 349 -12.362 12.111 4.067 290 HD3 LYS 349 2HD LYS 349 -12.391 13.767 3.414 291 HE2 LYS 349 1HE LYS 349 -14.411 13.247 2.137 292 HE3 LYS 349 2HE LYS 349 -14.372 11.572 2.735 293 HZ1 LYS 349 3HZ LYS 349 -14.719 13.981 4.403 294 HZ2 LYS 349 1HZ LYS 349 -15.915 12.927 3.981 295 HZ3 LYS 349 2HZ LYS 349 -14.683 12.428 4.958 Start of MODEL 13 1 H GLU 315 1H GLU 315 0.237 -0.645 -2.223 2 HA GLU 315 HA GLU 315 -1.636 1.338 -3.080 3 HB2 GLU 315 1HB GLU 315 -0.633 0.673 -0.307 4 HB3 GLU 315 2HB GLU 315 -2.046 1.692 -0.678 5 HG2 GLU 315 1HG GLU 315 -3.163 -0.331 -1.748 6 HG3 GLU 315 2HG GLU 315 -1.660 -1.196 -1.350 7 H ASP 316 H ASP 316 -1.883 3.517 -2.399 8 HA ASP 316 HA ASP 316 0.586 5.051 -2.708 9 HB2 ASP 316 1HB ASP 316 -2.313 5.932 -2.164 10 HB3 ASP 316 2HB ASP 316 -0.839 6.925 -2.264 11 H VAL 317 H VAL 317 1.260 6.753 -1.274 12 HA VAL 317 HA VAL 317 1.803 5.722 1.373 13 HB VAL 317 HB VAL 317 2.068 8.531 0.219 14 HG11 VAL 317 1HG1 VAL 317 3.542 8.960 2.158 15 HG12 VAL 317 2HG1 VAL 317 1.887 8.572 2.685 16 HG13 VAL 317 3HG1 VAL 317 3.169 7.342 2.799 17 HG21 VAL 317 3HG2 VAL 317 3.455 6.900 -0.916 18 HG22 VAL 317 1HG2 VAL 317 4.447 7.994 0.076 19 HG23 VAL 317 2HG2 VAL 317 4.107 6.341 0.643 20 H TRP 318 H TRP 318 -0.552 8.096 0.197 21 HA TRP 318 HA TRP 318 -1.469 8.700 2.909 22 HB2 TRP 318 1HB TRP 318 -3.241 9.988 1.736 23 HB3 TRP 318 2HB TRP 318 -1.626 10.387 1.103 24 HD1 TRP 318 HD1 TRP 318 -1.121 9.831 -1.256 25 HE1 TRP 318 HE1 TRP 318 -2.602 9.095 -3.395 26 HE3 TRP 318 HE3 TRP 318 -5.366 8.514 1.210 27 HZ2 TRP 318 HZ2 TRP 318 -5.160 8.124 -3.775 28 HZ3 TRP 318 HZ3 TRP 318 -7.283 7.702 -0.020 29 HH2 TRP 318 HH2 TRP 318 -7.244 7.485 -2.468 30 H GLU 319 H GLU 319 -2.271 6.363 0.449 31 HA GLU 319 HA GLU 319 -4.719 5.451 1.726 32 HB2 GLU 319 1HB GLU 319 -2.741 4.170 -0.157 33 HB3 GLU 319 2HB GLU 319 -4.189 3.336 0.459 34 HG2 GLU 319 1HG GLU 319 -5.645 5.063 -0.666 35 HG3 GLU 319 2HG GLU 319 -4.130 5.889 -1.096 36 H ILE 320 H ILE 320 -1.284 4.703 2.107 37 HA ILE 320 HA ILE 320 -1.725 2.690 4.176 38 HB ILE 320 HB ILE 320 0.671 4.453 3.491 39 HG12 ILE 320 1HG1 ILE 320 0.288 1.501 3.092 40 HG13 ILE 320 2HG1 ILE 320 -0.076 2.728 1.858 41 HG21 ILE 320 1HG2 ILE 320 1.957 2.969 4.992 42 HG22 ILE 320 2HG2 ILE 320 0.687 3.837 5.885 43 HG23 ILE 320 3HG2 ILE 320 0.457 2.128 5.448 44 HD11 ILE 320 3HD1 ILE 320 2.640 2.236 3.128 45 HD12 ILE 320 1HD1 ILE 320 2.148 1.734 1.495 46 HD13 ILE 320 2HD1 ILE 320 2.274 3.464 1.893 47 H LEU 321 H LEU 321 -1.111 6.185 4.239 48 HA LEU 321 HA LEU 321 -1.058 6.410 7.090 49 HB2 LEU 321 1HB LEU 321 -1.908 8.203 4.916 50 HB3 LEU 321 2HB LEU 321 -1.752 8.854 6.563 51 HG LEU 321 HG LEU 321 0.496 7.666 4.892 52 HD11 LEU 321 1HD1 LEU 321 1.366 10.018 4.836 53 HD12 LEU 321 2HD1 LEU 321 -0.239 9.904 4.077 54 HD13 LEU 321 3HD1 LEU 321 -0.077 10.556 5.725 55 HD21 LEU 321 3HD2 LEU 321 0.805 7.255 7.261 56 HD22 LEU 321 1HD2 LEU 321 1.974 8.473 6.699 57 HD23 LEU 321 2HD2 LEU 321 0.539 8.977 7.624 58 H ARG 322 H ARG 322 -3.709 6.157 4.815 59 HA ARG 322 HA ARG 322 -5.848 7.082 6.401 60 HB2 ARG 322 1HB ARG 322 -6.092 6.478 4.106 61 HB3 ARG 322 2HB ARG 322 -5.844 4.765 4.518 62 HG2 ARG 322 1HG ARG 322 -7.886 4.780 5.866 63 HG3 ARG 322 2HG ARG 322 -8.126 6.506 5.503 64 HD2 ARG 322 1HD ARG 322 -8.397 5.967 3.158 65 HD3 ARG 322 2HD ARG 322 -8.173 4.243 3.533 66 HE ARG 322 HE ARG 322 -10.704 5.732 4.005 67 HH11 ARG 322 1HH1 ARG 322 -8.860 2.865 4.742 68 HH12 ARG 322 2HH1 ARG 322 -10.323 2.052 5.263 69 HH21 ARG 322 1HH2 ARG 322 -12.388 4.812 4.590 70 HH22 ARG 322 2HH2 ARG 322 -12.335 3.160 5.176 71 H GLN 323 H GLN 323 -4.130 3.993 6.554 72 HA GLN 323 HA GLN 323 -5.959 3.180 8.784 73 HB2 GLN 323 1HB GLN 323 -4.192 1.540 6.956 74 HB3 GLN 323 2HB GLN 323 -5.146 0.896 8.313 75 HG2 GLN 323 1HG GLN 323 -7.327 1.740 6.914 76 HG3 GLN 323 2HG GLN 323 -5.962 2.217 5.878 77 HE21 GLN 323 2HE2 GLN 323 -7.773 0.753 4.650 78 HE22 GLN 323 1HE2 GLN 323 -7.271 -0.894 4.457 79 H ALA 324 H ALA 324 -2.871 4.332 8.122 80 HA ALA 324 HA ALA 324 -1.470 2.895 10.228 81 HB1 ALA 324 3HB ALA 324 -0.781 5.480 8.788 82 HB2 ALA 324 1HB ALA 324 0.310 4.556 9.845 83 HB3 ALA 324 2HB ALA 324 -0.260 3.845 8.316 84 HA PRO 325 HA PRO 325 -2.592 5.221 13.812 85 HB2 PRO 325 1HB PRO 325 0.366 5.165 14.471 86 HB3 PRO 325 2HB PRO 325 -0.992 4.578 15.442 87 HG2 PRO 325 1HG PRO 325 0.611 2.822 14.229 88 HG3 PRO 325 2HG PRO 325 -1.134 2.533 14.258 89 HD2 PRO 325 1HD PRO 325 0.576 3.619 11.973 90 HD3 PRO 325 2HD PRO 325 -0.728 2.427 11.908 91 HA PRO 326 HA PRO 326 -1.978 9.321 12.423 92 HB2 PRO 326 1HB PRO 326 -2.850 9.877 15.290 93 HB3 PRO 326 2HB PRO 326 -3.494 10.558 13.790 94 HG2 PRO 326 1HG PRO 326 -4.893 8.693 15.075 95 HG3 PRO 326 2HG PRO 326 -4.793 8.634 13.311 96 HD2 PRO 326 1HD PRO 326 -3.309 6.940 15.360 97 HD3 PRO 326 2HD PRO 326 -3.987 6.455 13.800 98 H SER 327 H SER 327 -0.695 8.068 15.462 99 HA SER 327 HA SER 327 1.106 10.330 15.963 100 HB2 SER 327 1HB SER 327 1.966 9.107 17.684 101 HB3 SER 327 2HB SER 327 0.193 8.975 17.689 102 HG SER 327 HG SER 327 1.235 6.971 18.069 103 H GLU 328 H GLU 328 1.154 7.539 13.896 104 HA GLU 328 HA GLU 328 4.142 7.662 13.694 105 HB2 GLU 328 1HB GLU 328 2.181 5.500 12.915 106 HB3 GLU 328 2HB GLU 328 3.937 5.450 12.630 107 HG2 GLU 328 1HG GLU 328 4.266 5.538 15.178 108 HG3 GLU 328 2HG GLU 328 2.489 5.525 15.243 109 H TYR 329 H TYR 329 1.930 9.346 12.384 110 HA TYR 329 HA TYR 329 1.925 8.673 9.582 111 HB2 TYR 329 1HB TYR 329 1.294 11.109 11.210 112 HB3 TYR 329 2HB TYR 329 1.423 11.230 9.439 113 HD1 TYR 329 HD1 TYR 329 0.342 8.011 9.943 114 HD2 TYR 329 HD2 TYR 329 -1.105 12.007 10.294 115 HE1 TYR 329 HE1 TYR 329 -1.982 7.181 9.718 116 HE2 TYR 329 HE2 TYR 329 -3.429 11.196 10.070 117 HH TYR 329 HH TYR 329 -4.226 7.998 9.090 118 H GLU 330 H GLU 330 4.119 10.532 11.605 119 HA GLU 330 HA GLU 330 5.619 11.661 9.385 120 HB2 GLU 330 1HB GLU 330 6.263 11.212 12.300 121 HB3 GLU 330 2HB GLU 330 7.358 12.019 11.150 122 HG2 GLU 330 1HG GLU 330 5.642 13.841 10.820 123 HG3 GLU 330 2HG GLU 330 4.582 12.869 11.866 124 H ARG 331 H ARG 331 6.017 8.790 11.444 125 HA ARG 331 HA ARG 331 8.544 8.007 10.295 126 HB2 ARG 331 1HB ARG 331 6.482 6.498 11.823 127 HB3 ARG 331 2HB ARG 331 7.976 5.768 11.192 128 HG2 ARG 331 1HG ARG 331 9.302 7.385 12.506 129 HG3 ARG 331 2HG ARG 331 7.796 8.069 13.162 130 HD2 ARG 331 1HD ARG 331 7.296 6.006 14.258 131 HD3 ARG 331 2HD ARG 331 8.730 5.241 13.533 132 HE ARG 331 HE ARG 331 9.597 7.459 15.212 133 HH11 ARG 331 1HH1 ARG 331 8.213 4.272 15.511 134 HH12 ARG 331 2HH1 ARG 331 8.989 4.074 17.070 135 HH21 ARG 331 1HH2 ARG 331 10.485 7.251 17.000 136 HH22 ARG 331 2HH2 ARG 331 10.284 5.773 17.921 137 H ILE 332 H ILE 332 5.180 7.180 9.516 138 HA ILE 332 HA ILE 332 5.847 5.326 7.391 139 HB ILE 332 HB ILE 332 3.371 7.037 7.896 140 HG12 ILE 332 1HG1 ILE 332 3.813 5.401 9.605 141 HG13 ILE 332 2HG1 ILE 332 2.350 5.023 8.667 142 HG21 ILE 332 1HG2 ILE 332 2.256 5.571 6.248 143 HG22 ILE 332 2HG2 ILE 332 3.592 6.475 5.499 144 HG23 ILE 332 3HG2 ILE 332 3.805 4.761 5.920 145 HD11 ILE 332 3HD1 ILE 332 5.065 3.701 8.334 146 HD12 ILE 332 1HD1 ILE 332 3.652 2.986 9.141 147 HD13 ILE 332 2HD1 ILE 332 3.603 3.325 7.395 148 H ALA 333 H ALA 333 5.179 8.811 7.394 149 HA ALA 333 HA ALA 333 5.275 9.183 4.597 150 HB1 ALA 333 3HB ALA 333 6.228 11.055 6.792 151 HB2 ALA 333 1HB ALA 333 5.877 11.517 5.110 152 HB3 ALA 333 2HB ALA 333 4.567 10.934 6.164 153 H PHE 334 H PHE 334 7.965 9.507 6.941 154 HA PHE 334 HA PHE 334 9.891 10.051 4.834 155 HB2 PHE 334 1HB PHE 334 10.113 9.438 7.801 156 HB3 PHE 334 2HB PHE 334 11.546 9.634 6.766 157 HD1 PHE 334 HD2 PHE 334 11.614 11.818 5.350 158 HD2 PHE 334 HD1 PHE 334 9.236 11.256 8.856 159 HE1 PHE 334 HE2 PHE 334 11.515 14.268 5.674 160 HE2 PHE 334 HE1 PHE 334 9.133 13.705 9.181 161 HZ PHE 334 HZ PHE 334 10.273 15.210 7.589 162 H GLN 335 H GLN 335 8.670 7.159 6.337 163 HA GLN 335 HA GLN 335 10.755 5.365 5.532 164 HB2 GLN 335 1HB GLN 335 8.906 4.823 7.089 165 HB3 GLN 335 2HB GLN 335 7.774 4.882 5.717 166 HG2 GLN 335 1HG GLN 335 8.375 2.373 5.981 167 HG3 GLN 335 2HG GLN 335 9.087 3.304 4.641 168 HE21 GLN 335 2HE2 GLN 335 10.775 1.790 4.420 169 HE22 GLN 335 1HE2 GLN 335 12.083 1.714 5.553 170 H HIS 336 H HIS 336 8.180 6.918 3.754 171 HA HIS 336 HA HIS 336 8.840 5.233 1.370 172 HB2 HIS 336 1HB HIS 336 6.426 7.024 1.902 173 HB3 HIS 336 2HB HIS 336 6.694 6.042 0.443 174 HD2 HIS 336 HD2 HIS 336 4.686 5.706 3.649 175 HE1 HIS 336 HE1 HIS 336 5.775 1.773 2.468 176 H GLY 337 H GLY 337 10.017 7.880 2.685 177 HA2 GLY 337 1HA GLY 337 11.506 9.373 1.675 178 HA3 GLY 337 2HA GLY 337 10.941 8.834 0.077 179 H VAL 338 H VAL 338 8.509 9.692 2.364 180 HA VAL 338 HA VAL 338 7.901 12.176 0.798 181 HB VAL 338 HB VAL 338 6.227 10.607 2.806 182 HG11 VAL 338 1HG1 VAL 338 4.386 12.068 2.038 183 HG12 VAL 338 2HG1 VAL 338 5.697 13.022 2.772 184 HG13 VAL 338 3HG1 VAL 338 5.525 12.960 1.001 185 HG21 VAL 338 3HG2 VAL 338 6.559 9.361 0.755 186 HG22 VAL 338 1HG2 VAL 338 4.885 9.952 0.873 187 HG23 VAL 338 2HG2 VAL 338 6.043 10.768 -0.206 188 H THR 339 H THR 339 8.353 14.075 1.463 189 HA THR 339 HA THR 339 8.917 14.467 4.375 190 HB THR 339 HB THR 339 10.013 16.555 3.710 191 HG1 THR 339 HG1 THR 339 10.190 17.014 1.436 192 HG21 THR 339 1HG2 THR 339 11.887 15.621 2.398 193 HG22 THR 339 2HG2 THR 339 11.357 14.481 3.658 194 HG23 THR 339 3HG2 THR 339 10.884 14.219 1.963 195 H ASP 340 H ASP 340 6.717 15.295 1.817 196 HA ASP 340 HA ASP 340 5.420 17.367 3.516 197 HB2 ASP 340 1HB ASP 340 5.745 17.692 0.945 198 HB3 ASP 340 2HB ASP 340 4.650 16.288 0.882 199 H LEU 341 H LEU 341 4.745 16.017 5.205 200 HA LEU 341 HA LEU 341 3.064 13.719 4.778 201 HB2 LEU 341 1HB LEU 341 4.217 13.966 6.704 202 HB3 LEU 341 2HB LEU 341 3.537 15.534 7.196 203 HG LEU 341 HG LEU 341 1.305 14.430 7.430 204 HD11 LEU 341 1HD1 LEU 341 1.251 11.925 7.546 205 HD12 LEU 341 2HD1 LEU 341 1.740 12.487 5.930 206 HD13 LEU 341 3HD1 LEU 341 2.966 11.881 7.070 207 HD21 LEU 341 3HD2 LEU 341 2.696 14.822 9.376 208 HD22 LEU 341 1HD2 LEU 341 1.815 13.287 9.559 209 HD23 LEU 341 2HD2 LEU 341 3.540 13.277 9.120 210 H ARG 342 H ARG 342 2.326 17.137 5.434 211 HA ARG 342 HA ARG 342 -0.503 16.760 5.720 212 HB2 ARG 342 1HB ARG 342 1.124 19.153 5.013 213 HB3 ARG 342 2HB ARG 342 -0.650 19.166 5.157 214 HG2 ARG 342 1HG ARG 342 -0.474 18.441 7.494 215 HG3 ARG 342 2HG ARG 342 1.301 18.406 7.354 216 HD2 ARG 342 1HD ARG 342 1.331 20.785 6.989 217 HD3 ARG 342 2HD ARG 342 -0.444 20.833 7.083 218 HE ARG 342 HE ARG 342 0.534 19.837 9.618 219 HH11 ARG 342 1HH1 ARG 342 0.666 22.785 7.760 220 HH12 ARG 342 2HH1 ARG 342 0.759 23.720 9.239 221 HH21 ARG 342 1HH2 ARG 342 0.649 20.893 11.320 222 HH22 ARG 342 2HH2 ARG 342 0.751 22.642 11.270 223 H GLY 343 H GLY 343 1.540 17.299 2.890 224 HA2 GLY 343 1HA GLY 343 -0.525 17.709 0.984 225 HA3 GLY 343 2HA GLY 343 1.074 17.006 0.646 226 H MET 344 H MET 344 0.876 14.738 2.344 227 HA MET 344 HA MET 344 -0.742 12.962 0.681 228 HB2 MET 344 1HB MET 344 0.828 12.550 3.224 229 HB3 MET 344 2HB MET 344 -0.009 11.253 2.335 230 HG2 MET 344 1HG MET 344 2.242 12.982 1.259 231 HG3 MET 344 2HG MET 344 2.410 11.310 1.845 232 HE1 MET 344 3HE MET 344 2.290 13.395 -1.176 233 HE2 MET 344 1HE MET 344 1.065 12.706 -2.269 234 HE3 MET 344 2HE MET 344 0.559 13.598 -0.813 235 H LEU 345 H LEU 345 -1.099 14.510 3.813 236 HA LEU 345 HA LEU 345 -3.390 12.897 4.606 237 HB2 LEU 345 1HB LEU 345 -2.311 15.516 5.411 238 HB3 LEU 345 2HB LEU 345 -3.653 14.805 6.336 239 HG LEU 345 HG LEU 345 -0.829 13.706 6.060 240 HD11 LEU 345 1HD1 LEU 345 -0.744 14.087 8.538 241 HD12 LEU 345 2HD1 LEU 345 -1.053 15.605 7.661 242 HD13 LEU 345 3HD1 LEU 345 -2.390 14.758 8.475 243 HD21 LEU 345 3HD2 LEU 345 -2.441 11.896 6.059 244 HD22 LEU 345 1HD2 LEU 345 -1.559 11.922 7.605 245 HD23 LEU 345 2HD2 LEU 345 -3.222 12.551 7.518 246 H LYS 346 H LYS 346 -2.927 15.779 2.694 247 HA LYS 346 HA LYS 346 -5.733 16.515 2.594 248 HB2 LYS 346 1HB LYS 346 -3.374 17.020 0.784 249 HB3 LYS 346 2HB LYS 346 -5.013 17.627 0.443 250 HG2 LYS 346 1HG LYS 346 -4.985 18.901 2.546 251 HG3 LYS 346 2HG LYS 346 -3.354 18.285 2.902 252 HD2 LYS 346 1HD LYS 346 -2.520 19.356 0.828 253 HD3 LYS 346 2HD LYS 346 -4.149 20.012 0.532 254 HE2 LYS 346 1HE LYS 346 -4.043 21.257 2.640 255 HE3 LYS 346 2HE LYS 346 -2.431 20.582 2.967 256 HZ1 LYS 346 3HZ LYS 346 -3.129 22.325 0.691 257 HZ2 LYS 346 1HZ LYS 346 -2.298 22.793 2.037 258 HZ3 LYS 346 2HZ LYS 346 -1.633 21.700 0.995 259 H ARG 347 H ARG 347 -3.682 14.316 0.726 260 HA ARG 347 HA ARG 347 -5.861 13.529 -1.057 261 HB2 ARG 347 1HB ARG 347 -3.202 12.313 -0.480 262 HB3 ARG 347 2HB ARG 347 -4.403 11.627 -1.598 263 HG2 ARG 347 1HG ARG 347 -4.310 13.667 -2.959 264 HG3 ARG 347 2HG ARG 347 -3.118 14.365 -1.835 265 HD2 ARG 347 1HD ARG 347 -1.539 12.651 -2.418 266 HD3 ARG 347 2HD ARG 347 -2.732 11.900 -3.504 267 HE ARG 347 HE ARG 347 -2.262 14.562 -4.501 268 HH11 ARG 347 1HH1 ARG 347 -0.407 11.650 -4.014 269 HH12 ARG 347 2HH1 ARG 347 0.614 12.064 -5.377 270 HH21 ARG 347 1HH2 ARG 347 -1.097 15.055 -6.059 271 HH22 ARG 347 2HH2 ARG 347 0.222 14.007 -6.544 272 H LEU 348 H LEU 348 -4.606 12.448 2.048 273 HA LEU 348 HA LEU 348 -6.044 10.001 2.255 274 HB2 LEU 348 1HB LEU 348 -4.318 11.022 3.668 275 HB3 LEU 348 2HB LEU 348 -5.546 11.937 4.572 276 HG LEU 348 HG LEU 348 -5.395 8.909 4.295 277 HD11 LEU 348 1HD1 LEU 348 -4.903 8.967 6.755 278 HD12 LEU 348 2HD1 LEU 348 -3.668 9.851 5.828 279 HD13 LEU 348 3HD1 LEU 348 -4.933 10.746 6.704 280 HD21 LEU 348 3HD2 LEU 348 -7.690 9.684 4.399 281 HD22 LEU 348 1HD2 LEU 348 -7.254 8.874 5.922 282 HD23 LEU 348 2HD2 LEU 348 -7.329 10.652 5.848 283 H LYS 349 H LYS 349 -7.031 13.253 3.372 284 HA LYS 349 HA LYS 349 -9.768 12.258 3.850 285 HB2 LYS 349 1HB LYS 349 -8.679 13.855 5.375 286 HB3 LYS 349 2HB LYS 349 -8.590 15.035 4.045 287 HG2 LYS 349 1HG LYS 349 -11.032 15.122 3.927 288 HG3 LYS 349 2HG LYS 349 -11.153 13.893 5.208 289 HD2 LYS 349 1HD LYS 349 -10.026 15.413 6.781 290 HD3 LYS 349 2HD LYS 349 -9.898 16.644 5.501 291 HE2 LYS 349 1HE LYS 349 -12.343 16.741 5.335 292 HE3 LYS 349 2HE LYS 349 -12.484 15.495 6.596 293 HZ1 LYS 349 3HZ LYS 349 -11.293 18.170 6.956 294 HZ2 LYS 349 1HZ LYS 349 -12.783 17.703 7.491 295 HZ3 LYS 349 2HZ LYS 349 -11.424 17.014 8.126 Start of MODEL 14 1 H GLU 315 1H GLU 315 1.260 6.496 -5.333 2 HA GLU 315 HA GLU 315 -0.658 7.828 -3.683 3 HB2 GLU 315 1HB GLU 315 -1.032 5.488 -5.559 4 HB3 GLU 315 2HB GLU 315 -2.328 6.505 -4.885 5 HG2 GLU 315 1HG GLU 315 -0.117 7.611 -6.717 6 HG3 GLU 315 2HG GLU 315 -1.699 6.967 -7.211 7 H ASP 316 H ASP 316 0.959 4.817 -3.296 8 HA ASP 316 HA ASP 316 -1.068 3.603 -1.575 9 HB2 ASP 316 1HB ASP 316 1.894 2.899 -2.031 10 HB3 ASP 316 2HB ASP 316 0.705 2.142 -0.942 11 H VAL 317 H VAL 317 1.251 6.060 -1.164 12 HA VAL 317 HA VAL 317 2.067 5.552 1.562 13 HB VAL 317 HB VAL 317 1.836 8.162 0.007 14 HG11 VAL 317 1HG1 VAL 317 3.358 9.067 1.732 15 HG12 VAL 317 2HG1 VAL 317 1.821 8.531 2.451 16 HG13 VAL 317 3HG1 VAL 317 3.279 7.521 2.612 17 HG21 VAL 317 3HG2 VAL 317 3.371 6.596 -1.023 18 HG22 VAL 317 1HG2 VAL 317 4.253 7.949 -0.276 19 HG23 VAL 317 2HG2 VAL 317 4.206 6.363 0.531 20 H TRP 318 H TRP 318 -0.459 7.740 0.304 21 HA TRP 318 HA TRP 318 -1.349 8.338 3.024 22 HB2 TRP 318 1HB TRP 318 -3.140 9.623 1.863 23 HB3 TRP 318 2HB TRP 318 -1.525 10.035 1.240 24 HD1 TRP 318 HD1 TRP 318 -1.032 9.563 -1.128 25 HE1 TRP 318 HE1 TRP 318 -2.491 8.815 -3.276 26 HE3 TRP 318 HE3 TRP 318 -5.221 8.054 1.323 27 HZ2 TRP 318 HZ2 TRP 318 -5.017 7.762 -3.668 28 HZ3 TRP 318 HZ3 TRP 318 -7.113 7.198 0.081 29 HH2 TRP 318 HH2 TRP 318 -7.072 7.028 -2.369 30 H GLU 319 H GLU 319 -2.092 5.937 0.648 31 HA GLU 319 HA GLU 319 -4.637 5.123 1.774 32 HB2 GLU 319 1HB GLU 319 -2.534 3.686 0.154 33 HB3 GLU 319 2HB GLU 319 -4.071 2.944 0.662 34 HG2 GLU 319 1HG GLU 319 -5.330 4.663 -0.691 35 HG3 GLU 319 2HG GLU 319 -3.743 5.399 -1.011 36 H ILE 320 H ILE 320 -1.262 4.235 2.419 37 HA ILE 320 HA ILE 320 -1.941 2.400 4.585 38 HB ILE 320 HB ILE 320 0.599 3.953 3.916 39 HG12 ILE 320 1HG1 ILE 320 0.041 1.010 3.703 40 HG13 ILE 320 2HG1 ILE 320 -0.184 2.165 2.368 41 HG21 ILE 320 1HG2 ILE 320 1.708 2.503 5.582 42 HG22 ILE 320 2HG2 ILE 320 0.458 3.512 6.344 43 HG23 ILE 320 3HG2 ILE 320 0.134 1.795 6.015 44 HD11 ILE 320 3HD1 ILE 320 2.431 1.600 3.809 45 HD12 ILE 320 1HD1 ILE 320 1.987 1.011 2.191 46 HD13 ILE 320 2HD1 ILE 320 2.207 2.754 2.475 47 H LEU 321 H LEU 321 -1.175 5.854 4.434 48 HA LEU 321 HA LEU 321 -1.119 6.264 7.264 49 HB2 LEU 321 1HB LEU 321 -1.879 7.948 4.973 50 HB3 LEU 321 2HB LEU 321 -1.694 8.698 6.575 51 HG LEU 321 HG LEU 321 0.493 7.305 4.983 52 HD11 LEU 321 1HD1 LEU 321 1.480 9.604 4.805 53 HD12 LEU 321 2HD1 LEU 321 -0.129 9.531 4.051 54 HD13 LEU 321 3HD1 LEU 321 0.067 10.260 5.662 55 HD21 LEU 321 3HD2 LEU 321 0.784 7.004 7.371 56 HD22 LEU 321 1HD2 LEU 321 2.012 8.131 6.748 57 HD23 LEU 321 2HD2 LEU 321 0.603 8.753 7.642 58 H ARG 322 H ARG 322 -3.781 6.072 4.974 59 HA ARG 322 HA ARG 322 -5.798 7.298 6.556 60 HB2 ARG 322 1HB ARG 322 -6.061 6.784 4.226 61 HB3 ARG 322 2HB ARG 322 -6.109 5.049 4.618 62 HG2 ARG 322 1HG ARG 322 -8.152 5.373 5.912 63 HG3 ARG 322 2HG ARG 322 -8.091 7.125 5.603 64 HD2 ARG 322 1HD ARG 322 -8.252 5.133 3.385 65 HD3 ARG 322 2HD ARG 322 -9.695 5.704 4.253 66 HE ARG 322 HE ARG 322 -8.429 8.064 3.271 67 HH11 ARG 322 1HH1 ARG 322 -9.665 5.142 1.825 68 HH12 ARG 322 2HH1 ARG 322 -10.065 6.026 0.366 69 HH21 ARG 322 1HH2 ARG 322 -8.875 9.089 1.604 70 HH22 ARG 322 2HH2 ARG 322 -9.615 8.278 0.238 71 H GLN 323 H GLN 323 -4.536 3.992 6.609 72 HA GLN 323 HA GLN 323 -6.518 3.308 8.732 73 HB2 GLN 323 1HB GLN 323 -4.558 1.575 7.212 74 HB3 GLN 323 2HB GLN 323 -5.777 1.013 8.379 75 HG2 GLN 323 1HG GLN 323 -6.477 2.143 5.530 76 HG3 GLN 323 2HG GLN 323 -6.408 0.554 6.329 77 HE21 GLN 323 2HE2 GLN 323 -8.400 3.062 5.427 78 HE22 GLN 323 1HE2 GLN 323 -9.719 2.785 6.516 79 H ALA 324 H ALA 324 -3.675 4.791 8.689 80 HA ALA 324 HA ALA 324 -2.476 3.181 10.889 81 HB1 ALA 324 3HB ALA 324 -1.310 5.443 9.230 82 HB2 ALA 324 1HB ALA 324 -0.452 4.530 10.491 83 HB3 ALA 324 2HB ALA 324 -0.991 3.707 9.008 84 HA PRO 325 HA PRO 325 -3.456 6.275 13.906 85 HB2 PRO 325 1HB PRO 325 -1.355 5.969 15.652 86 HB3 PRO 325 2HB PRO 325 -2.589 4.709 15.514 87 HG2 PRO 325 1HG PRO 325 0.160 4.833 14.231 88 HG3 PRO 325 2HG PRO 325 -0.621 3.475 15.051 89 HD2 PRO 325 1HD PRO 325 -0.603 3.681 12.312 90 HD3 PRO 325 2HD PRO 325 -1.959 2.937 13.170 91 HA PRO 326 HA PRO 326 -1.561 9.846 12.552 92 HB2 PRO 326 1HB PRO 326 -2.128 11.545 14.692 93 HB3 PRO 326 2HB PRO 326 -3.379 11.016 13.558 94 HG2 PRO 326 1HG PRO 326 -2.690 9.900 16.296 95 HG3 PRO 326 2HG PRO 326 -4.281 10.247 15.604 96 HD2 PRO 326 1HD PRO 326 -3.331 7.702 15.638 97 HD3 PRO 326 2HD PRO 326 -4.272 8.276 14.257 98 H SER 327 H SER 327 -0.456 8.317 15.420 99 HA SER 327 HA SER 327 1.723 10.193 16.050 100 HB2 SER 327 1HB SER 327 2.415 8.676 17.603 101 HB3 SER 327 2HB SER 327 0.648 8.852 17.694 102 HG SER 327 HG SER 327 1.331 6.670 17.829 103 H GLU 328 H GLU 328 1.187 7.710 13.695 104 HA GLU 328 HA GLU 328 4.141 7.253 13.412 105 HB2 GLU 328 1HB GLU 328 1.796 5.485 12.701 106 HB3 GLU 328 2HB GLU 328 3.499 5.138 12.316 107 HG2 GLU 328 1HG GLU 328 3.970 5.109 14.847 108 HG3 GLU 328 2HG GLU 328 2.221 5.391 15.005 109 H TYR 329 H TYR 329 1.983 9.205 12.188 110 HA TYR 329 HA TYR 329 1.960 8.586 9.367 111 HB2 TYR 329 1HB TYR 329 1.482 11.082 10.984 112 HB3 TYR 329 2HB TYR 329 1.457 11.087 9.204 113 HD1 TYR 329 HD1 TYR 329 0.333 7.948 9.943 114 HD2 TYR 329 HD2 TYR 329 -0.961 11.996 10.291 115 HE1 TYR 329 HE1 TYR 329 -2.024 7.184 9.973 116 HE2 TYR 329 HE2 TYR 329 -3.317 11.251 10.323 117 HH TYR 329 HH TYR 329 -4.215 7.842 10.458 118 H GLU 330 H GLU 330 4.139 10.458 11.427 119 HA GLU 330 HA GLU 330 5.776 11.399 9.210 120 HB2 GLU 330 1HB GLU 330 6.262 11.132 12.178 121 HB3 GLU 330 2HB GLU 330 7.440 11.819 11.033 122 HG2 GLU 330 1HG GLU 330 5.803 13.667 10.489 123 HG3 GLU 330 2HG GLU 330 4.669 12.810 11.559 124 H ARG 331 H ARG 331 5.869 8.606 11.385 125 HA ARG 331 HA ARG 331 8.446 7.656 10.494 126 HB2 ARG 331 1HB ARG 331 6.175 6.277 11.842 127 HB3 ARG 331 2HB ARG 331 7.710 5.492 11.407 128 HG2 ARG 331 1HG ARG 331 8.935 7.051 12.838 129 HG3 ARG 331 2HG ARG 331 7.417 7.889 13.244 130 HD2 ARG 331 1HD ARG 331 6.603 5.915 14.345 131 HD3 ARG 331 2HD ARG 331 8.085 5.038 13.901 132 HE ARG 331 HE ARG 331 8.862 7.282 15.554 133 HH11 ARG 331 1HH1 ARG 331 7.041 4.326 15.873 134 HH12 ARG 331 2HH1 ARG 331 7.499 4.220 17.562 135 HH21 ARG 331 1HH2 ARG 331 9.389 7.179 17.488 136 HH22 ARG 331 2HH2 ARG 331 8.837 5.846 18.484 137 H ILE 332 H ILE 332 5.130 7.058 9.401 138 HA ILE 332 HA ILE 332 5.913 5.065 7.419 139 HB ILE 332 HB ILE 332 3.424 6.801 7.738 140 HG12 ILE 332 1HG1 ILE 332 3.752 3.841 8.116 141 HG13 ILE 332 2HG1 ILE 332 3.929 5.032 9.425 142 HG21 ILE 332 1HG2 ILE 332 2.403 5.348 6.019 143 HG22 ILE 332 2HG2 ILE 332 3.791 6.244 5.357 144 HG23 ILE 332 3HG2 ILE 332 3.963 4.526 5.785 145 HD11 ILE 332 3HD1 ILE 332 1.432 4.589 7.751 146 HD12 ILE 332 1HD1 ILE 332 1.675 4.041 9.425 147 HD13 ILE 332 2HD1 ILE 332 1.610 5.782 9.060 148 H ALA 333 H ALA 333 5.137 8.532 7.198 149 HA ALA 333 HA ALA 333 5.501 8.742 4.403 150 HB1 ALA 333 3HB ALA 333 6.068 10.809 6.555 151 HB2 ALA 333 1HB ALA 333 5.875 11.142 4.818 152 HB3 ALA 333 2HB ALA 333 4.501 10.521 5.763 153 H PHE 334 H PHE 334 7.879 9.150 7.031 154 HA PHE 334 HA PHE 334 10.043 9.867 5.254 155 HB2 PHE 334 1HB PHE 334 10.042 8.786 8.105 156 HB3 PHE 334 2HB PHE 334 11.477 9.403 7.255 157 HD1 PHE 334 HD1 PHE 334 9.308 11.508 5.919 158 HD2 PHE 334 HD2 PHE 334 10.781 10.506 9.802 159 HE1 PHE 334 HE1 PHE 334 8.792 13.795 6.704 160 HE2 PHE 334 HE2 PHE 334 10.265 12.790 10.591 161 HZ PHE 334 HZ PHE 334 9.271 14.436 9.040 162 H GLN 335 H GLN 335 8.750 6.813 6.384 163 HA GLN 335 HA GLN 335 10.955 5.171 5.529 164 HB2 GLN 335 1HB GLN 335 9.077 4.473 7.021 165 HB3 GLN 335 2HB GLN 335 8.006 4.504 5.599 166 HG2 GLN 335 1HG GLN 335 8.776 2.035 5.807 167 HG3 GLN 335 2HG GLN 335 9.475 3.063 4.535 168 HE21 GLN 335 2HE2 GLN 335 11.273 1.670 4.344 169 HE22 GLN 335 1HE2 GLN 335 12.533 1.650 5.531 170 H HIS 336 H HIS 336 8.317 6.703 3.825 171 HA HIS 336 HA HIS 336 8.947 5.162 1.361 172 HB2 HIS 336 1HB HIS 336 6.773 7.216 1.975 173 HB3 HIS 336 2HB HIS 336 6.978 6.381 0.417 174 HD2 HIS 336 HD2 HIS 336 4.807 5.943 3.500 175 HE1 HIS 336 HE1 HIS 336 5.450 2.061 1.897 176 H GLY 337 H GLY 337 9.983 7.943 2.909 177 HA2 GLY 337 1HA GLY 337 11.649 9.402 2.093 178 HA3 GLY 337 2HA GLY 337 11.306 8.855 0.435 179 H VAL 338 H VAL 338 8.573 9.648 2.373 180 HA VAL 338 HA VAL 338 8.091 12.089 0.706 181 HB VAL 338 HB VAL 338 6.248 10.531 2.569 182 HG11 VAL 338 1HG1 VAL 338 4.466 11.909 1.552 183 HG12 VAL 338 2HG1 VAL 338 5.661 12.926 2.391 184 HG13 VAL 338 3HG1 VAL 338 5.689 12.800 0.616 185 HG21 VAL 338 3HG2 VAL 338 6.838 9.229 0.613 186 HG22 VAL 338 1HG2 VAL 338 5.147 9.772 0.524 187 HG23 VAL 338 2HG2 VAL 338 6.395 10.587 -0.448 188 H THR 339 H THR 339 8.423 14.015 1.358 189 HA THR 339 HA THR 339 8.684 14.501 4.297 190 HB THR 339 HB THR 339 9.726 16.639 3.658 191 HG1 THR 339 HG1 THR 339 10.130 17.000 1.395 192 HG21 THR 339 1HG2 THR 339 11.776 15.748 2.606 193 HG22 THR 339 2HG2 THR 339 11.166 14.641 3.860 194 HG23 THR 339 3HG2 THR 339 10.896 14.274 2.140 195 H ASP 340 H ASP 340 6.732 15.248 1.503 196 HA ASP 340 HA ASP 340 5.184 17.290 2.975 197 HB2 ASP 340 1HB ASP 340 5.591 17.341 0.387 198 HB3 ASP 340 2HB ASP 340 4.564 15.888 0.458 199 H LEU 341 H LEU 341 4.757 15.808 4.771 200 HA LEU 341 HA LEU 341 2.991 13.560 4.440 201 HB2 LEU 341 1HB LEU 341 4.276 13.803 6.296 202 HB3 LEU 341 2HB LEU 341 3.616 15.363 6.836 203 HG LEU 341 HG LEU 341 1.402 14.238 7.171 204 HD11 LEU 341 1HD1 LEU 341 1.382 11.732 7.287 205 HD12 LEU 341 2HD1 LEU 341 1.785 12.300 5.650 206 HD13 LEU 341 3HD1 LEU 341 3.072 11.709 6.730 207 HD21 LEU 341 3HD2 LEU 341 2.880 14.646 9.048 208 HD22 LEU 341 1HD2 LEU 341 2.027 13.100 9.272 209 HD23 LEU 341 2HD2 LEU 341 3.729 13.110 8.751 210 H ARG 342 H ARG 342 2.391 17.002 5.065 211 HA ARG 342 HA ARG 342 -0.424 16.752 5.519 212 HB2 ARG 342 1HB ARG 342 1.242 19.037 4.589 213 HB3 ARG 342 2HB ARG 342 -0.519 19.128 4.823 214 HG2 ARG 342 1HG ARG 342 -0.239 18.519 7.186 215 HG3 ARG 342 2HG ARG 342 1.524 18.424 6.953 216 HD2 ARG 342 1HD ARG 342 1.601 20.775 6.459 217 HD3 ARG 342 2HD ARG 342 -0.166 20.884 6.635 218 HE ARG 342 HE ARG 342 0.927 19.998 9.170 219 HH11 ARG 342 1HH1 ARG 342 0.965 22.842 7.153 220 HH12 ARG 342 2HH1 ARG 342 1.138 23.854 8.572 221 HH21 ARG 342 1HH2 ARG 342 1.133 21.143 10.805 222 HH22 ARG 342 2HH2 ARG 342 1.235 22.887 10.656 223 H GLY 343 H GLY 343 1.453 17.147 2.541 224 HA2 GLY 343 1HA GLY 343 -0.754 17.421 0.761 225 HA3 GLY 343 2HA GLY 343 0.846 16.762 0.345 226 H MET 344 H MET 344 0.865 14.562 2.127 227 HA MET 344 HA MET 344 -0.767 12.647 0.659 228 HB2 MET 344 1HB MET 344 0.915 12.435 3.154 229 HB3 MET 344 2HB MET 344 0.095 11.062 2.373 230 HG2 MET 344 1HG MET 344 2.237 12.807 1.118 231 HG3 MET 344 2HG MET 344 2.487 11.174 1.781 232 HE1 MET 344 3HE MET 344 2.197 13.086 -1.335 233 HE2 MET 344 1HE MET 344 0.955 12.308 -2.346 234 HE3 MET 344 2HE MET 344 0.475 13.263 -0.921 235 H LEU 345 H LEU 345 -1.094 14.399 3.673 236 HA LEU 345 HA LEU 345 -3.278 12.732 4.661 237 HB2 LEU 345 1HB LEU 345 -2.246 15.419 5.277 238 HB3 LEU 345 2HB LEU 345 -3.550 14.743 6.280 239 HG LEU 345 HG LEU 345 -0.721 13.662 5.989 240 HD11 LEU 345 1HD1 LEU 345 -0.557 14.217 8.430 241 HD12 LEU 345 2HD1 LEU 345 -0.911 15.666 7.461 242 HD13 LEU 345 3HD1 LEU 345 -2.212 14.868 8.378 243 HD21 LEU 345 3HD2 LEU 345 -2.313 11.843 6.169 244 HD22 LEU 345 1HD2 LEU 345 -1.381 11.985 7.677 245 HD23 LEU 345 2HD2 LEU 345 -3.053 12.593 7.604 246 H LYS 346 H LYS 346 -2.996 15.550 2.610 247 HA LYS 346 HA LYS 346 -5.820 16.182 2.562 248 HB2 LYS 346 1HB LYS 346 -3.558 16.621 0.615 249 HB3 LYS 346 2HB LYS 346 -5.224 17.173 0.320 250 HG2 LYS 346 1HG LYS 346 -5.127 18.581 2.328 251 HG3 LYS 346 2HG LYS 346 -3.471 18.015 2.653 252 HD2 LYS 346 1HD LYS 346 -2.744 18.962 0.480 253 HD3 LYS 346 2HD LYS 346 -4.394 19.577 0.217 254 HE2 LYS 346 1HE LYS 346 -4.217 20.952 2.237 255 HE3 LYS 346 2HE LYS 346 -2.580 20.322 2.532 256 HZ1 LYS 346 3HZ LYS 346 -3.408 21.909 0.187 257 HZ2 LYS 346 1HZ LYS 346 -2.526 22.471 1.462 258 HZ3 LYS 346 2HZ LYS 346 -1.890 21.324 0.460 259 H ARG 347 H ARG 347 -3.788 13.912 0.762 260 HA ARG 347 HA ARG 347 -6.041 12.965 -0.861 261 HB2 ARG 347 1HB ARG 347 -3.296 11.885 -0.425 262 HB3 ARG 347 2HB ARG 347 -4.539 11.124 -1.447 263 HG2 ARG 347 1HG ARG 347 -4.603 13.106 -2.876 264 HG3 ARG 347 2HG ARG 347 -3.401 13.909 -1.838 265 HD2 ARG 347 1HD ARG 347 -1.756 12.263 -2.442 266 HD3 ARG 347 2HD ARG 347 -2.957 11.411 -3.441 267 HE ARG 347 HE ARG 347 -2.711 14.033 -4.573 268 HH11 ARG 347 1HH1 ARG 347 -0.569 11.348 -3.975 269 HH12 ARG 347 2HH1 ARG 347 0.386 11.790 -5.377 270 HH21 ARG 347 1HH2 ARG 347 -1.623 14.557 -6.175 271 HH22 ARG 347 2HH2 ARG 347 -0.213 13.622 -6.631 272 H LEU 348 H LEU 348 -4.505 12.072 2.181 273 HA LEU 348 HA LEU 348 -5.785 9.583 2.619 274 HB2 LEU 348 1HB LEU 348 -4.069 10.619 3.898 275 HB3 LEU 348 2HB LEU 348 -5.179 11.756 4.699 276 HG LEU 348 HG LEU 348 -5.221 8.719 4.883 277 HD11 LEU 348 1HD1 LEU 348 -4.730 9.140 7.308 278 HD12 LEU 348 2HD1 LEU 348 -3.456 9.812 6.264 279 HD13 LEU 348 3HD1 LEU 348 -4.681 10.887 6.978 280 HD21 LEU 348 3HD2 LEU 348 -7.480 9.599 4.845 281 HD22 LEU 348 1HD2 LEU 348 -7.082 9.020 6.481 282 HD23 LEU 348 2HD2 LEU 348 -7.078 10.765 6.129 283 H LYS 349 H LYS 349 -6.948 12.842 3.512 284 HA LYS 349 HA LYS 349 -9.595 11.695 4.182 285 HB2 LYS 349 1HB LYS 349 -8.556 13.429 5.589 286 HB3 LYS 349 2HB LYS 349 -8.591 14.546 4.204 287 HG2 LYS 349 1HG LYS 349 -11.035 14.474 4.177 288 HG3 LYS 349 2HG LYS 349 -11.031 13.302 5.518 289 HD2 LYS 349 1HD LYS 349 -9.953 14.965 6.975 290 HD3 LYS 349 2HD LYS 349 -9.945 16.136 5.634 291 HE2 LYS 349 1HE LYS 349 -12.392 16.084 5.555 292 HE3 LYS 349 2HE LYS 349 -12.417 14.884 6.868 293 HZ1 LYS 349 3HZ LYS 349 -11.382 17.638 7.082 294 HZ2 LYS 349 1HZ LYS 349 -12.822 17.106 7.685 295 HZ3 LYS 349 2HZ LYS 349 -11.405 16.526 8.300 Start of MODEL 15 1 H GLU 315 1H GLU 315 4.010 8.497 -3.421 2 HA GLU 315 HA GLU 315 1.875 10.380 -3.689 3 HB2 GLU 315 1HB GLU 315 2.633 7.986 -5.368 4 HB3 GLU 315 2HB GLU 315 1.416 9.200 -5.829 5 HG2 GLU 315 1HG GLU 315 4.414 9.773 -5.420 6 HG3 GLU 315 2HG GLU 315 3.499 9.560 -6.929 7 H ASP 316 H ASP 316 1.905 7.011 -2.750 8 HA ASP 316 HA ASP 316 -1.074 7.147 -2.460 9 HB2 ASP 316 1HB ASP 316 -1.283 4.838 -3.317 10 HB3 ASP 316 2HB ASP 316 -0.425 5.959 -4.404 11 H VAL 317 H VAL 317 1.582 7.234 -0.768 12 HA VAL 317 HA VAL 317 1.347 5.013 1.089 13 HB VAL 317 HB VAL 317 3.348 6.617 0.817 14 HG11 VAL 317 1HG1 VAL 317 3.276 8.631 2.250 15 HG12 VAL 317 2HG1 VAL 317 2.062 8.723 0.954 16 HG13 VAL 317 3HG1 VAL 317 1.564 8.312 2.612 17 HG21 VAL 317 3HG2 VAL 317 3.215 4.944 2.564 18 HG22 VAL 317 1HG2 VAL 317 3.943 6.445 3.181 19 HG23 VAL 317 2HG2 VAL 317 2.254 6.049 3.576 20 H TRP 318 H TRP 318 -0.527 7.852 0.612 21 HA TRP 318 HA TRP 318 -1.527 8.128 3.302 22 HB2 TRP 318 1HB TRP 318 -3.343 9.432 2.245 23 HB3 TRP 318 2HB TRP 318 -1.763 9.905 1.577 24 HD1 TRP 318 HD1 TRP 318 -1.324 9.463 -0.823 25 HE1 TRP 318 HE1 TRP 318 -2.863 8.797 -2.943 26 HE3 TRP 318 HE3 TRP 318 -5.457 7.948 1.720 27 HZ2 TRP 318 HZ2 TRP 318 -5.415 7.793 -3.282 28 HZ3 TRP 318 HZ3 TRP 318 -7.400 7.157 0.517 29 HH2 TRP 318 HH2 TRP 318 -7.440 7.053 -1.937 30 H GLU 319 H GLU 319 -2.186 5.860 0.768 31 HA GLU 319 HA GLU 319 -4.673 4.848 1.867 32 HB2 GLU 319 1HB GLU 319 -2.525 3.595 0.152 33 HB3 GLU 319 2HB GLU 319 -4.050 2.791 0.598 34 HG2 GLU 319 1HG GLU 319 -5.333 4.579 -0.645 35 HG3 GLU 319 2HG GLU 319 -3.754 5.353 -0.911 36 H ILE 320 H ILE 320 -1.252 4.170 2.478 37 HA ILE 320 HA ILE 320 -1.820 2.162 4.530 38 HB ILE 320 HB ILE 320 0.622 3.904 3.966 39 HG12 ILE 320 1HG1 ILE 320 0.244 0.953 3.562 40 HG13 ILE 320 2HG1 ILE 320 -0.039 2.175 2.301 41 HG21 ILE 320 1HG2 ILE 320 1.812 2.421 5.546 42 HG22 ILE 320 2HG2 ILE 320 0.499 3.302 6.361 43 HG23 ILE 320 3HG2 ILE 320 0.283 1.592 5.920 44 HD11 ILE 320 3HD1 ILE 320 2.594 1.672 3.731 45 HD12 ILE 320 1HD1 ILE 320 2.196 1.165 2.074 46 HD13 ILE 320 2HD1 ILE 320 2.311 2.895 2.471 47 H LEU 321 H LEU 321 -1.383 5.663 4.521 48 HA LEU 321 HA LEU 321 -1.336 5.891 7.402 49 HB2 LEU 321 1HB LEU 321 -2.125 7.746 5.252 50 HB3 LEU 321 2HB LEU 321 -1.826 8.346 6.899 51 HG LEU 321 HG LEU 321 0.205 7.133 4.985 52 HD11 LEU 321 1HD1 LEU 321 1.274 9.397 5.140 53 HD12 LEU 321 2HD1 LEU 321 -0.386 9.508 4.513 54 HD13 LEU 321 3HD1 LEU 321 -0.045 9.930 6.208 55 HD21 LEU 321 3HD2 LEU 321 0.651 6.401 7.253 56 HD22 LEU 321 1HD2 LEU 321 1.878 7.584 6.745 57 HD23 LEU 321 2HD2 LEU 321 0.566 8.078 7.843 58 H ARG 322 H ARG 322 -3.859 5.368 5.125 59 HA ARG 322 HA ARG 322 -6.073 6.567 6.401 60 HB2 ARG 322 1HB ARG 322 -6.193 5.568 4.235 61 HB3 ARG 322 2HB ARG 322 -5.995 3.955 4.958 62 HG2 ARG 322 1HG ARG 322 -8.109 4.218 6.163 63 HG3 ARG 322 2HG ARG 322 -8.302 5.853 5.485 64 HD2 ARG 322 1HD ARG 322 -8.428 4.891 3.255 65 HD3 ARG 322 2HD ARG 322 -8.292 3.266 3.965 66 HE ARG 322 HE ARG 322 -10.790 4.877 3.965 67 HH11 ARG 322 1HH1 ARG 322 -9.102 2.176 5.385 68 HH12 ARG 322 2HH1 ARG 322 -10.623 1.519 5.957 69 HH21 ARG 322 1HH2 ARG 322 -12.540 4.133 4.605 70 HH22 ARG 322 2HH2 ARG 322 -12.584 2.633 5.512 71 H GLN 323 H GLN 323 -4.494 3.468 7.118 72 HA GLN 323 HA GLN 323 -6.377 3.159 9.429 73 HB2 GLN 323 1HB GLN 323 -4.706 1.118 7.945 74 HB3 GLN 323 2HB GLN 323 -5.730 0.784 9.361 75 HG2 GLN 323 1HG GLN 323 -7.830 1.460 7.803 76 HG3 GLN 323 2HG GLN 323 -6.438 1.787 6.744 77 HE21 GLN 323 2HE2 GLN 323 -8.641 0.091 6.111 78 HE22 GLN 323 1HE2 GLN 323 -8.036 -1.523 5.939 79 H ALA 324 H ALA 324 -3.693 4.651 9.079 80 HA ALA 324 HA ALA 324 -2.172 3.226 11.205 81 HB1 ALA 324 3HB ALA 324 -1.356 5.518 9.386 82 HB2 ALA 324 1HB ALA 324 -0.314 4.723 10.588 83 HB3 ALA 324 2HB ALA 324 -0.909 3.808 9.184 84 HA PRO 325 HA PRO 325 -3.265 6.206 14.305 85 HB2 PRO 325 1HB PRO 325 -0.442 5.790 15.293 86 HB3 PRO 325 2HB PRO 325 -1.963 5.515 16.155 87 HG2 PRO 325 1HG PRO 325 -0.512 3.427 15.325 88 HG3 PRO 325 2HG PRO 325 -2.275 3.374 15.204 89 HD2 PRO 325 1HD PRO 325 -0.238 3.963 13.003 90 HD3 PRO 325 2HD PRO 325 -1.658 2.912 12.939 91 HA PRO 326 HA PRO 326 -1.838 10.002 12.734 92 HB2 PRO 326 1HB PRO 326 -2.179 10.896 15.627 93 HB3 PRO 326 2HB PRO 326 -2.845 11.627 14.161 94 HG2 PRO 326 1HG PRO 326 -4.446 10.213 15.753 95 HG3 PRO 326 2HG PRO 326 -4.597 10.037 13.999 96 HD2 PRO 326 1HD PRO 326 -3.267 8.158 15.990 97 HD3 PRO 326 2HD PRO 326 -4.249 7.760 14.575 98 H SER 327 H SER 327 -0.488 8.600 15.672 99 HA SER 327 HA SER 327 1.812 10.389 15.867 100 HB2 SER 327 1HB SER 327 2.624 8.985 17.463 101 HB3 SER 327 2HB SER 327 0.877 9.206 17.711 102 HG SER 327 HG SER 327 2.238 6.948 16.687 103 H GLU 328 H GLU 328 0.996 7.665 13.856 104 HA GLU 328 HA GLU 328 3.877 7.033 13.371 105 HB2 GLU 328 1HB GLU 328 1.388 5.548 12.519 106 HB3 GLU 328 2HB GLU 328 3.075 5.006 12.341 107 HG2 GLU 328 1HG GLU 328 1.475 5.234 14.954 108 HG3 GLU 328 2HG GLU 328 2.163 3.830 14.105 109 H TYR 329 H TYR 329 1.615 9.063 12.169 110 HA TYR 329 HA TYR 329 1.652 8.582 9.356 111 HB2 TYR 329 1HB TYR 329 1.340 11.067 11.032 112 HB3 TYR 329 2HB TYR 329 1.300 11.108 9.253 113 HD1 TYR 329 HD1 TYR 329 -0.016 8.038 9.888 114 HD2 TYR 329 HD2 TYR 329 -1.043 12.141 10.432 115 HE1 TYR 329 HE1 TYR 329 -2.417 7.424 9.927 116 HE2 TYR 329 HE2 TYR 329 -3.442 11.547 10.473 117 HH TYR 329 HH TYR 329 -4.551 8.167 10.154 118 H GLU 330 H GLU 330 3.771 10.661 11.342 119 HA GLU 330 HA GLU 330 5.407 11.477 9.107 120 HB2 GLU 330 1HB GLU 330 5.241 12.714 11.220 121 HB3 GLU 330 2HB GLU 330 6.039 11.363 12.061 122 HG2 GLU 330 1HG GLU 330 8.128 11.784 10.684 123 HG3 GLU 330 2HG GLU 330 7.179 13.047 9.870 124 H ARG 331 H ARG 331 5.680 8.852 11.478 125 HA ARG 331 HA ARG 331 8.365 8.112 10.695 126 HB2 ARG 331 1HB ARG 331 6.252 6.675 12.225 127 HB3 ARG 331 2HB ARG 331 7.847 5.984 11.846 128 HG2 ARG 331 1HG ARG 331 8.939 7.816 13.056 129 HG3 ARG 331 2HG ARG 331 7.349 8.532 13.418 130 HD2 ARG 331 1HD ARG 331 6.769 6.622 14.751 131 HD3 ARG 331 2HD ARG 331 8.318 5.847 14.347 132 HE ARG 331 HE ARG 331 8.913 8.319 15.730 133 HH11 ARG 331 1HH1 ARG 331 7.406 5.251 16.417 134 HH12 ARG 331 2HH1 ARG 331 7.917 5.368 18.090 135 HH21 ARG 331 1HH2 ARG 331 9.497 8.472 17.643 136 HH22 ARG 331 2HH2 ARG 331 9.110 7.205 18.790 137 H ILE 332 H ILE 332 5.144 7.043 9.686 138 HA ILE 332 HA ILE 332 6.126 4.922 7.951 139 HB ILE 332 HB ILE 332 3.506 6.478 8.049 140 HG12 ILE 332 1HG1 ILE 332 4.079 3.607 8.721 141 HG13 ILE 332 2HG1 ILE 332 4.090 4.934 9.905 142 HG21 ILE 332 1HG2 ILE 332 2.636 4.796 6.461 143 HG22 ILE 332 2HG2 ILE 332 3.962 5.735 5.736 144 HG23 ILE 332 3HG2 ILE 332 4.260 4.082 6.325 145 HD11 ILE 332 3HD1 ILE 332 1.715 4.081 8.213 146 HD12 ILE 332 1HD1 ILE 332 1.942 3.727 9.941 147 HD13 ILE 332 2HD1 ILE 332 1.726 5.408 9.398 148 H ALA 333 H ALA 333 5.223 8.307 7.377 149 HA ALA 333 HA ALA 333 5.453 8.239 4.566 150 HB1 ALA 333 3HB ALA 333 6.103 10.519 6.465 151 HB2 ALA 333 1HB ALA 333 5.813 10.672 4.716 152 HB3 ALA 333 2HB ALA 333 4.500 10.139 5.792 153 H PHE 334 H PHE 334 7.959 8.802 7.028 154 HA PHE 334 HA PHE 334 10.010 9.532 5.135 155 HB2 PHE 334 1HB PHE 334 10.115 8.527 8.007 156 HB3 PHE 334 2HB PHE 334 11.555 9.014 7.085 157 HD1 PHE 334 HD1 PHE 334 9.330 11.150 5.772 158 HD2 PHE 334 HD2 PHE 334 11.159 10.310 9.542 159 HE1 PHE 334 HE1 PHE 334 8.982 13.499 6.462 160 HE2 PHE 334 HE2 PHE 334 10.810 12.658 10.235 161 HZ PHE 334 HZ PHE 334 9.723 14.253 8.694 162 H GLN 335 H GLN 335 8.835 6.461 6.334 163 HA GLN 335 HA GLN 335 11.118 4.916 5.427 164 HB2 GLN 335 1HB GLN 335 8.249 4.208 6.065 165 HB3 GLN 335 2HB GLN 335 9.476 3.012 5.583 166 HG2 GLN 335 1HG GLN 335 10.816 3.756 7.824 167 HG3 GLN 335 2HG GLN 335 9.395 4.829 7.829 168 HE21 GLN 335 2HE2 GLN 335 9.989 3.247 10.013 169 HE22 GLN 335 1HE2 GLN 335 8.804 1.993 10.163 170 H HIS 336 H HIS 336 8.402 6.329 3.848 171 HA HIS 336 HA HIS 336 8.888 4.620 1.439 172 HB2 HIS 336 1HB HIS 336 6.524 6.383 2.224 173 HB3 HIS 336 2HB HIS 336 6.698 5.585 0.642 174 HD2 HIS 336 HD2 HIS 336 6.056 2.771 0.631 175 HE1 HIS 336 HE1 HIS 336 5.012 2.718 4.749 176 H GLY 337 H GLY 337 10.164 7.272 2.665 177 HA2 GLY 337 1HA GLY 337 11.500 8.867 1.628 178 HA3 GLY 337 2HA GLY 337 11.008 8.211 0.050 179 H VAL 338 H VAL 338 8.599 9.146 2.395 180 HA VAL 338 HA VAL 338 7.790 11.423 0.603 181 HB VAL 338 HB VAL 338 6.197 9.878 2.692 182 HG11 VAL 338 1HG1 VAL 338 4.270 11.133 1.786 183 HG12 VAL 338 2HG1 VAL 338 5.490 12.235 2.467 184 HG13 VAL 338 3HG1 VAL 338 5.362 12.028 0.703 185 HG21 VAL 338 3HG2 VAL 338 6.664 8.509 0.747 186 HG22 VAL 338 1HG2 VAL 338 4.949 8.979 0.794 187 HG23 VAL 338 2HG2 VAL 338 6.065 9.798 -0.326 188 H THR 339 H THR 339 8.213 13.365 1.140 189 HA THR 339 HA THR 339 8.609 13.989 4.041 190 HB THR 339 HB THR 339 9.701 16.056 3.259 191 HG1 THR 339 HG1 THR 339 10.055 16.278 0.970 192 HG21 THR 339 1HG2 THR 339 11.693 15.040 2.210 193 HG22 THR 339 2HG2 THR 339 11.081 14.024 3.537 194 HG23 THR 339 3HG2 THR 339 10.754 13.572 1.848 195 H ASP 340 H ASP 340 6.595 14.636 1.272 196 HA ASP 340 HA ASP 340 5.186 16.841 2.647 197 HB2 ASP 340 1HB ASP 340 5.516 16.701 0.050 198 HB3 ASP 340 2HB ASP 340 4.424 15.308 0.248 199 H LEU 341 H LEU 341 4.742 15.511 4.550 200 HA LEU 341 HA LEU 341 2.890 13.306 4.396 201 HB2 LEU 341 1HB LEU 341 4.300 13.627 6.175 202 HB3 LEU 341 2HB LEU 341 3.636 15.194 6.694 203 HG LEU 341 HG LEU 341 1.454 14.047 7.149 204 HD11 LEU 341 1HD1 LEU 341 1.481 11.545 7.345 205 HD12 LEU 341 2HD1 LEU 341 1.812 12.067 5.676 206 HD13 LEU 341 3HD1 LEU 341 3.148 11.531 6.723 207 HD21 LEU 341 3HD2 LEU 341 2.997 14.537 8.953 208 HD22 LEU 341 1HD2 LEU 341 2.178 12.987 9.260 209 HD23 LEU 341 2HD2 LEU 341 3.860 13.006 8.671 210 H ARG 342 H ARG 342 2.468 16.799 4.763 211 HA ARG 342 HA ARG 342 -0.340 16.678 5.401 212 HB2 ARG 342 1HB ARG 342 1.373 18.862 4.322 213 HB3 ARG 342 2HB ARG 342 -0.370 19.031 4.636 214 HG2 ARG 342 1HG ARG 342 -0.004 18.495 7.002 215 HG3 ARG 342 2HG ARG 342 1.740 18.304 6.693 216 HD2 ARG 342 1HD ARG 342 1.905 20.632 6.109 217 HD3 ARG 342 2HD ARG 342 0.156 20.833 6.370 218 HE ARG 342 HE ARG 342 1.330 19.977 8.876 219 HH11 ARG 342 1HH1 ARG 342 1.425 22.745 6.758 220 HH12 ARG 342 2HH1 ARG 342 1.725 23.793 8.130 221 HH21 ARG 342 1HH2 ARG 342 1.681 21.163 10.457 222 HH22 ARG 342 2HH2 ARG 342 1.872 22.891 10.241 223 H GLY 343 H GLY 343 1.434 16.833 2.348 224 HA2 GLY 343 1HA GLY 343 -0.852 17.191 0.661 225 HA3 GLY 343 2HA GLY 343 0.709 16.488 0.179 226 H MET 344 H MET 344 0.712 14.327 2.058 227 HA MET 344 HA MET 344 -0.954 12.418 0.618 228 HB2 MET 344 1HB MET 344 0.731 12.196 3.112 229 HB3 MET 344 2HB MET 344 -0.092 10.832 2.317 230 HG2 MET 344 1HG MET 344 2.066 12.574 1.084 231 HG3 MET 344 2HG MET 344 2.304 10.937 1.739 232 HE1 MET 344 3HE MET 344 2.044 12.865 -1.369 233 HE2 MET 344 1HE MET 344 0.804 12.101 -2.391 234 HE3 MET 344 2HE MET 344 0.320 13.052 -0.964 235 H LEU 345 H LEU 345 -1.107 14.004 3.778 236 HA LEU 345 HA LEU 345 -3.470 12.501 4.606 237 HB2 LEU 345 1HB LEU 345 -2.185 15.006 5.472 238 HB3 LEU 345 2HB LEU 345 -3.537 14.342 6.420 239 HG LEU 345 HG LEU 345 -0.802 13.079 5.989 240 HD11 LEU 345 1HD1 LEU 345 -0.603 13.345 8.476 241 HD12 LEU 345 2HD1 LEU 345 -0.845 14.915 7.674 242 HD13 LEU 345 3HD1 LEU 345 -2.204 14.121 8.505 243 HD21 LEU 345 3HD2 LEU 345 -2.528 11.376 5.976 244 HD22 LEU 345 1HD2 LEU 345 -1.591 11.279 7.486 245 HD23 LEU 345 2HD2 LEU 345 -3.212 12.015 7.490 246 H LYS 346 H LYS 346 -2.880 15.342 2.700 247 HA LYS 346 HA LYS 346 -5.650 16.244 2.697 248 HB2 LYS 346 1HB LYS 346 -3.755 17.660 2.030 249 HB3 LYS 346 2HB LYS 346 -3.458 16.584 0.644 250 HG2 LYS 346 1HG LYS 346 -5.617 17.169 -0.320 251 HG3 LYS 346 2HG LYS 346 -6.007 18.169 1.100 252 HD2 LYS 346 1HD LYS 346 -4.115 19.650 0.586 253 HD3 LYS 346 2HD LYS 346 -3.705 18.646 -0.825 254 HE2 LYS 346 1HE LYS 346 -5.899 19.148 -1.817 255 HE3 LYS 346 2HE LYS 346 -6.301 20.162 -0.412 256 HZ1 LYS 346 3HZ LYS 346 -4.087 20.650 -2.300 257 HZ2 LYS 346 1HZ LYS 346 -5.514 21.477 -2.260 258 HZ3 LYS 346 2HZ LYS 346 -4.459 21.590 -0.996 259 H ARG 347 H ARG 347 -3.728 14.096 0.605 260 HA ARG 347 HA ARG 347 -5.924 13.388 -1.124 261 HB2 ARG 347 1HB ARG 347 -3.376 11.991 -0.467 262 HB3 ARG 347 2HB ARG 347 -4.595 11.366 -1.602 263 HG2 ARG 347 1HG ARG 347 -4.341 13.389 -2.982 264 HG3 ARG 347 2HG ARG 347 -3.111 14.002 -1.850 265 HD2 ARG 347 1HD ARG 347 -1.698 12.100 -2.387 266 HD3 ARG 347 2HD ARG 347 -2.920 11.535 -3.550 267 HE ARG 347 HE ARG 347 -2.077 14.176 -4.383 268 HH11 ARG 347 1HH1 ARG 347 -0.703 10.986 -4.067 269 HH12 ARG 347 2HH1 ARG 347 0.391 11.319 -5.395 270 HH21 ARG 347 1HH2 ARG 347 -0.827 14.575 -5.901 271 HH22 ARG 347 2HH2 ARG 347 0.321 13.366 -6.442 272 H LEU 348 H LEU 348 -4.826 12.176 1.999 273 HA LEU 348 HA LEU 348 -6.629 9.920 2.080 274 HB2 LEU 348 1HB LEU 348 -4.772 10.059 3.411 275 HB3 LEU 348 2HB LEU 348 -5.246 11.527 4.295 276 HG LEU 348 HG LEU 348 -7.190 10.285 5.237 277 HD11 LEU 348 1HD1 LEU 348 -7.197 7.783 5.047 278 HD12 LEU 348 2HD1 LEU 348 -7.374 8.553 3.454 279 HD13 LEU 348 3HD1 LEU 348 -5.803 7.878 3.946 280 HD21 LEU 348 3HD2 LEU 348 -5.150 10.513 6.528 281 HD22 LEU 348 1HD2 LEU 348 -5.893 8.926 6.842 282 HD23 LEU 348 2HD2 LEU 348 -4.474 9.050 5.773 283 H LYS 349 H LYS 349 -6.881 13.240 3.363 284 HA LYS 349 HA LYS 349 -9.498 12.945 4.464 285 HB2 LYS 349 1HB LYS 349 -7.966 14.820 4.914 286 HB3 LYS 349 2HB LYS 349 -8.208 15.391 3.246 287 HG2 LYS 349 1HG LYS 349 -10.572 15.793 3.692 288 HG3 LYS 349 2HG LYS 349 -10.395 15.139 5.337 289 HD2 LYS 349 1HD LYS 349 -8.821 16.943 5.895 290 HD3 LYS 349 2HD LYS 349 -8.977 17.593 4.245 291 HE2 LYS 349 1HE LYS 349 -11.372 17.982 4.618 292 HE3 LYS 349 2HE LYS 349 -11.228 17.317 6.261 293 HZ1 LYS 349 3HZ LYS 349 -9.858 19.732 5.263 294 HZ2 LYS 349 1HZ LYS 349 -11.169 19.718 6.264 295 HZ3 LYS 349 2HZ LYS 349 -9.725 19.116 6.787 Start of MODEL 16 1 H GLU 315 1H GLU 315 -2.861 0.927 -2.400 2 HA GLU 315 HA GLU 315 -0.062 0.421 -2.110 3 HB2 GLU 315 1HB GLU 315 -1.624 1.549 -4.439 4 HB3 GLU 315 2HB GLU 315 0.070 1.005 -4.507 5 HG2 GLU 315 1HG GLU 315 -0.708 -1.346 -3.928 6 HG3 GLU 315 2HG GLU 315 -2.336 -0.637 -3.839 7 H ASP 316 H ASP 316 -1.886 3.415 -2.382 8 HA ASP 316 HA ASP 316 0.506 5.056 -2.775 9 HB2 ASP 316 1HB ASP 316 -2.399 5.807 -2.090 10 HB3 ASP 316 2HB ASP 316 -0.971 6.861 -2.233 11 H VAL 317 H VAL 317 1.182 6.742 -1.331 12 HA VAL 317 HA VAL 317 1.820 5.684 1.291 13 HB VAL 317 HB VAL 317 2.041 8.499 0.148 14 HG11 VAL 317 1HG1 VAL 317 3.563 8.925 2.049 15 HG12 VAL 317 2HG1 VAL 317 1.925 8.525 2.617 16 HG13 VAL 317 3HG1 VAL 317 3.216 7.302 2.690 17 HG21 VAL 317 3HG2 VAL 317 3.406 6.883 -1.034 18 HG22 VAL 317 1HG2 VAL 317 4.418 7.976 -0.062 19 HG23 VAL 317 2HG2 VAL 317 4.102 6.318 0.504 20 H TRP 318 H TRP 318 -0.554 8.082 0.199 21 HA TRP 318 HA TRP 318 -1.395 8.682 2.928 22 HB2 TRP 318 1HB TRP 318 -3.198 9.965 1.823 23 HB3 TRP 318 2HB TRP 318 -1.623 10.336 1.083 24 HD1 TRP 318 HD1 TRP 318 -1.275 9.745 -1.291 25 HE1 TRP 318 HE1 TRP 318 -2.885 8.964 -3.317 26 HE3 TRP 318 HE3 TRP 318 -5.350 8.464 1.464 27 HZ2 TRP 318 HZ2 TRP 318 -5.460 7.980 -3.515 28 HZ3 TRP 318 HZ3 TRP 318 -7.338 7.626 0.373 29 HH2 TRP 318 HH2 TRP 318 -7.454 7.362 -2.067 30 H GLU 319 H GLU 319 -2.240 6.295 0.542 31 HA GLU 319 HA GLU 319 -4.659 5.402 1.898 32 HB2 GLU 319 1HB GLU 319 -2.740 4.103 -0.034 33 HB3 GLU 319 2HB GLU 319 -4.164 3.272 0.639 34 HG2 GLU 319 1HG GLU 319 -5.664 4.967 -0.463 35 HG3 GLU 319 2HG GLU 319 -4.173 5.814 -0.932 36 H ILE 320 H ILE 320 -1.218 4.538 2.096 37 HA ILE 320 HA ILE 320 -1.553 2.596 4.221 38 HB ILE 320 HB ILE 320 0.781 4.405 3.452 39 HG12 ILE 320 1HG1 ILE 320 0.453 1.443 3.089 40 HG13 ILE 320 2HG1 ILE 320 0.019 2.650 1.857 41 HG21 ILE 320 1HG2 ILE 320 2.148 2.961 4.922 42 HG22 ILE 320 2HG2 ILE 320 0.888 3.809 5.849 43 HG23 ILE 320 3HG2 ILE 320 0.682 2.092 5.432 44 HD11 ILE 320 3HD1 ILE 320 2.786 2.232 3.041 45 HD12 ILE 320 1HD1 ILE 320 2.255 1.704 1.429 46 HD13 ILE 320 2HD1 ILE 320 2.354 3.441 1.809 47 H LEU 321 H LEU 321 -1.047 6.105 4.247 48 HA LEU 321 HA LEU 321 -0.995 6.312 7.119 49 HB2 LEU 321 1HB LEU 321 -1.799 8.139 4.953 50 HB3 LEU 321 2HB LEU 321 -1.612 8.766 6.607 51 HG LEU 321 HG LEU 321 0.589 7.555 4.891 52 HD11 LEU 321 1HD1 LEU 321 1.516 9.886 4.875 53 HD12 LEU 321 2HD1 LEU 321 -0.100 9.828 4.133 54 HD13 LEU 321 3HD1 LEU 321 0.097 10.440 5.792 55 HD21 LEU 321 3HD2 LEU 321 0.915 7.085 7.247 56 HD22 LEU 321 1HD2 LEU 321 2.108 8.287 6.697 57 HD23 LEU 321 2HD2 LEU 321 0.695 8.805 7.650 58 H ARG 322 H ARG 322 -3.601 6.179 4.766 59 HA ARG 322 HA ARG 322 -5.705 7.171 6.407 60 HB2 ARG 322 1HB ARG 322 -5.926 6.866 4.046 61 HB3 ARG 322 2HB ARG 322 -5.849 5.102 4.259 62 HG2 ARG 322 1HG ARG 322 -7.926 5.124 5.519 63 HG3 ARG 322 2HG ARG 322 -7.984 6.901 5.444 64 HD2 ARG 322 1HD ARG 322 -8.284 6.814 3.066 65 HD3 ARG 322 2HD ARG 322 -8.149 5.039 3.096 66 HE ARG 322 HE ARG 322 -10.441 5.807 4.709 67 HH11 ARG 322 1HH1 ARG 322 -9.449 5.806 1.366 68 HH12 ARG 322 2HH1 ARG 322 -11.118 5.622 0.865 69 HH21 ARG 322 1HH2 ARG 322 -12.358 5.604 4.150 70 HH22 ARG 322 2HH2 ARG 322 -12.779 5.507 2.451 71 H GLN 323 H GLN 323 -4.303 3.926 6.165 72 HA GLN 323 HA GLN 323 -6.215 2.996 8.259 73 HB2 GLN 323 1HB GLN 323 -4.223 1.446 6.591 74 HB3 GLN 323 2HB GLN 323 -5.440 0.768 7.698 75 HG2 GLN 323 1HG GLN 323 -6.155 2.135 4.958 76 HG3 GLN 323 2HG GLN 323 -6.020 0.477 5.588 77 HE21 GLN 323 2HE2 GLN 323 -8.142 2.906 4.874 78 HE22 GLN 323 1HE2 GLN 323 -9.442 2.487 5.939 79 H ALA 324 H ALA 324 -3.824 4.790 8.658 80 HA ALA 324 HA ALA 324 -2.372 3.021 10.585 81 HB1 ALA 324 3HB ALA 324 -1.283 5.371 8.997 82 HB2 ALA 324 1HB ALA 324 -0.386 4.433 10.213 83 HB3 ALA 324 2HB ALA 324 -0.925 3.652 8.707 84 HA PRO 325 HA PRO 325 -3.420 5.927 13.740 85 HB2 PRO 325 1HB PRO 325 -1.271 5.648 15.438 86 HB3 PRO 325 2HB PRO 325 -2.454 4.344 15.267 87 HG2 PRO 325 1HG PRO 325 0.264 4.641 13.942 88 HG3 PRO 325 2HG PRO 325 -0.445 3.216 14.714 89 HD2 PRO 325 1HD PRO 325 -0.488 3.529 11.991 90 HD3 PRO 325 2HD PRO 325 -1.805 2.709 12.838 91 HA PRO 326 HA PRO 326 -1.674 9.631 12.496 92 HB2 PRO 326 1HB PRO 326 -2.514 11.261 14.585 93 HB3 PRO 326 2HB PRO 326 -3.652 10.631 13.387 94 HG2 PRO 326 1HG PRO 326 -3.026 9.574 16.162 95 HG3 PRO 326 2HG PRO 326 -4.600 9.800 15.389 96 HD2 PRO 326 1HD PRO 326 -3.442 7.336 15.480 97 HD3 PRO 326 2HD PRO 326 -4.382 7.828 14.067 98 H SER 327 H SER 327 -0.634 8.070 15.346 99 HA SER 327 HA SER 327 1.323 10.093 16.225 100 HB2 SER 327 1HB SER 327 2.030 8.561 17.759 101 HB3 SER 327 2HB SER 327 0.253 8.595 17.728 102 HG SER 327 HG SER 327 1.098 6.468 17.822 103 H GLU 328 H GLU 328 1.161 7.729 13.712 104 HA GLU 328 HA GLU 328 4.156 7.678 13.508 105 HB2 GLU 328 1HB GLU 328 2.194 5.455 12.924 106 HB3 GLU 328 2HB GLU 328 3.944 5.412 12.601 107 HG2 GLU 328 1HG GLU 328 4.341 5.624 15.124 108 HG3 GLU 328 2HG GLU 328 2.567 5.629 15.244 109 H TYR 329 H TYR 329 2.047 9.395 12.256 110 HA TYR 329 HA TYR 329 1.943 8.608 9.453 111 HB2 TYR 329 1HB TYR 329 1.354 11.120 10.998 112 HB3 TYR 329 2HB TYR 329 1.370 11.109 9.218 113 HD1 TYR 329 HD1 TYR 329 0.350 7.941 9.883 114 HD2 TYR 329 HD2 TYR 329 -1.104 11.926 10.317 115 HE1 TYR 329 HE1 TYR 329 -1.975 7.085 9.868 116 HE2 TYR 329 HE2 TYR 329 -3.430 11.090 10.304 117 HH TYR 329 HH TYR 329 -4.194 7.641 10.326 118 H GLU 330 H GLU 330 4.050 10.688 11.394 119 HA GLU 330 HA GLU 330 5.677 11.529 9.137 120 HB2 GLU 330 1HB GLU 330 6.163 11.405 12.113 121 HB3 GLU 330 2HB GLU 330 7.345 12.037 10.943 122 HG2 GLU 330 1HG GLU 330 5.698 13.847 10.296 123 HG3 GLU 330 2HG GLU 330 4.572 13.048 11.418 124 H ARG 331 H ARG 331 5.807 8.833 11.428 125 HA ARG 331 HA ARG 331 8.418 7.910 10.629 126 HB2 ARG 331 1HB ARG 331 6.146 6.538 11.983 127 HB3 ARG 331 2HB ARG 331 7.698 5.757 11.600 128 HG2 ARG 331 1HG ARG 331 8.880 7.393 12.985 129 HG3 ARG 331 2HG ARG 331 7.342 8.211 13.348 130 HD2 ARG 331 1HD ARG 331 6.556 6.261 14.508 131 HD3 ARG 331 2HD ARG 331 8.057 5.395 14.104 132 HE ARG 331 HE ARG 331 8.770 7.712 15.693 133 HH11 ARG 331 1HH1 ARG 331 7.046 4.706 16.080 134 HH12 ARG 331 2HH1 ARG 331 7.504 4.654 17.771 135 HH21 ARG 331 1HH2 ARG 331 9.294 7.673 17.629 136 HH22 ARG 331 2HH2 ARG 331 8.785 6.346 18.656 137 H ILE 332 H ILE 332 5.149 7.193 9.470 138 HA ILE 332 HA ILE 332 6.028 5.182 7.548 139 HB ILE 332 HB ILE 332 3.508 6.887 7.762 140 HG12 ILE 332 1HG1 ILE 332 3.874 3.935 8.168 141 HG13 ILE 332 2HG1 ILE 332 3.969 5.138 9.474 142 HG21 ILE 332 1HG2 ILE 332 2.567 5.416 6.014 143 HG22 ILE 332 2HG2 ILE 332 3.963 6.328 5.398 144 HG23 ILE 332 3HG2 ILE 332 4.145 4.614 5.838 145 HD11 ILE 332 3HD1 ILE 332 1.556 4.628 7.698 146 HD12 ILE 332 1HD1 ILE 332 1.738 4.097 9.386 147 HD13 ILE 332 2HD1 ILE 332 1.652 5.832 9.005 148 H ALA 333 H ALA 333 5.209 8.635 7.235 149 HA ALA 333 HA ALA 333 5.545 8.751 4.433 150 HB1 ALA 333 3HB ALA 333 6.074 10.913 6.499 151 HB2 ALA 333 1HB ALA 333 5.852 11.175 4.754 152 HB3 ALA 333 2HB ALA 333 4.507 10.551 5.738 153 H PHE 334 H PHE 334 7.937 9.097 7.030 154 HA PHE 334 HA PHE 334 10.054 10.046 5.312 155 HB2 PHE 334 1HB PHE 334 10.112 8.705 8.050 156 HB3 PHE 334 2HB PHE 334 11.528 9.423 7.248 157 HD1 PHE 334 HD1 PHE 334 9.257 11.577 6.135 158 HD2 PHE 334 HD2 PHE 334 10.886 10.301 9.873 159 HE1 PHE 334 HE1 PHE 334 8.705 13.775 7.124 160 HE2 PHE 334 HE2 PHE 334 10.333 12.497 10.866 161 HZ PHE 334 HZ PHE 334 9.243 14.234 9.489 162 H GLN 335 H GLN 335 8.868 6.858 6.131 163 HA GLN 335 HA GLN 335 11.232 5.477 5.108 164 HB2 GLN 335 1HB GLN 335 8.421 4.592 5.779 165 HB3 GLN 335 2HB GLN 335 9.686 3.493 5.180 166 HG2 GLN 335 1HG GLN 335 11.060 4.126 7.426 167 HG3 GLN 335 2HG GLN 335 9.611 5.153 7.544 168 HE21 GLN 335 2HE2 GLN 335 10.331 3.444 9.598 169 HE22 GLN 335 1HE2 GLN 335 9.181 2.151 9.704 170 H HIS 336 H HIS 336 8.585 7.039 3.673 171 HA HIS 336 HA HIS 336 8.983 5.493 1.141 172 HB2 HIS 336 1HB HIS 336 6.759 7.420 1.954 173 HB3 HIS 336 2HB HIS 336 6.879 6.580 0.389 174 HD2 HIS 336 HD2 HIS 336 4.982 6.066 3.635 175 HE1 HIS 336 HE1 HIS 336 5.700 2.204 2.017 176 H GLY 337 H GLY 337 10.289 8.053 2.645 177 HA2 GLY 337 1HA GLY 337 11.664 9.735 1.812 178 HA3 GLY 337 2HA GLY 337 11.276 9.197 0.161 179 H VAL 338 H VAL 338 8.714 9.908 2.419 180 HA VAL 338 HA VAL 338 7.962 12.305 0.768 181 HB VAL 338 HB VAL 338 6.314 10.619 2.701 182 HG11 VAL 338 1HG1 VAL 338 4.407 11.918 1.814 183 HG12 VAL 338 2HG1 VAL 338 5.596 12.982 2.602 184 HG13 VAL 338 3HG1 VAL 338 5.527 12.888 0.826 185 HG21 VAL 338 3HG2 VAL 338 6.856 9.382 0.690 186 HG22 VAL 338 1HG2 VAL 338 5.136 9.838 0.709 187 HG23 VAL 338 2HG2 VAL 338 6.282 10.731 -0.319 188 H THR 339 H THR 339 8.522 14.172 1.444 189 HA THR 339 HA THR 339 8.751 14.648 4.379 190 HB THR 339 HB THR 339 9.780 16.792 3.748 191 HG1 THR 339 HG1 THR 339 10.146 17.183 1.483 192 HG21 THR 339 1HG2 THR 339 11.815 15.921 2.653 193 HG22 THR 339 2HG2 THR 339 11.228 14.797 3.902 194 HG23 THR 339 3HG2 THR 339 10.932 14.450 2.182 195 H ASP 340 H ASP 340 6.773 15.433 1.608 196 HA ASP 340 HA ASP 340 5.233 17.447 3.125 197 HB2 ASP 340 1HB ASP 340 5.625 17.546 0.538 198 HB3 ASP 340 2HB ASP 340 4.601 16.089 0.588 199 H LEU 341 H LEU 341 4.816 15.934 4.898 200 HA LEU 341 HA LEU 341 3.067 13.680 4.532 201 HB2 LEU 341 1HB LEU 341 4.360 13.894 6.385 202 HB3 LEU 341 2HB LEU 341 3.692 15.440 6.960 203 HG LEU 341 HG LEU 341 1.490 14.300 7.296 204 HD11 LEU 341 1HD1 LEU 341 1.474 11.791 7.345 205 HD12 LEU 341 2HD1 LEU 341 1.858 12.403 5.719 206 HD13 LEU 341 3HD1 LEU 341 3.156 11.785 6.767 207 HD21 LEU 341 3HD2 LEU 341 2.992 14.657 9.166 208 HD22 LEU 341 1HD2 LEU 341 2.142 13.105 9.359 209 HD23 LEU 341 2HD2 LEU 341 3.838 13.131 8.818 210 H ARG 342 H ARG 342 2.448 17.109 5.192 211 HA ARG 342 HA ARG 342 -0.367 16.824 5.668 212 HB2 ARG 342 1HB ARG 342 1.280 19.141 4.785 213 HB3 ARG 342 2HB ARG 342 -0.481 19.214 5.025 214 HG2 ARG 342 1HG ARG 342 -0.189 18.552 7.374 215 HG3 ARG 342 2HG ARG 342 1.573 18.479 7.134 216 HD2 ARG 342 1HD ARG 342 1.629 20.842 6.699 217 HD3 ARG 342 2HD ARG 342 -0.140 20.930 6.871 218 HE ARG 342 HE ARG 342 0.944 19.998 9.389 219 HH11 ARG 342 1HH1 ARG 342 1.005 22.883 7.432 220 HH12 ARG 342 2HH1 ARG 342 1.174 23.865 8.874 221 HH21 ARG 342 1HH2 ARG 342 1.146 21.108 11.049 222 HH22 ARG 342 2HH2 ARG 342 1.255 22.854 10.937 223 H GLY 343 H GLY 343 1.501 17.270 2.696 224 HA2 GLY 343 1HA GLY 343 -0.689 17.606 0.916 225 HA3 GLY 343 2HA GLY 343 0.892 16.908 0.497 226 H MET 344 H MET 344 0.866 14.680 2.223 227 HA MET 344 HA MET 344 -0.822 12.834 0.736 228 HB2 MET 344 1HB MET 344 0.868 12.543 3.218 229 HB3 MET 344 2HB MET 344 0.003 11.201 2.430 230 HG2 MET 344 1HG MET 344 2.181 12.899 1.171 231 HG3 MET 344 2HG MET 344 2.392 11.255 1.819 232 HE1 MET 344 3HE MET 344 2.111 13.207 -1.278 233 HE2 MET 344 1HE MET 344 0.841 12.465 -2.280 234 HE3 MET 344 2HE MET 344 0.398 13.415 -0.842 235 H LEU 345 H LEU 345 -1.071 14.501 3.815 236 HA LEU 345 HA LEU 345 -3.316 12.883 4.747 237 HB2 LEU 345 1HB LEU 345 -2.182 15.502 5.469 238 HB3 LEU 345 2HB LEU 345 -3.497 14.825 6.457 239 HG LEU 345 HG LEU 345 -0.708 13.666 6.085 240 HD11 LEU 345 1HD1 LEU 345 -0.501 14.107 8.546 241 HD12 LEU 345 2HD1 LEU 345 -0.816 15.608 7.645 242 HD13 LEU 345 3HD1 LEU 345 -2.133 14.814 8.541 243 HD21 LEU 345 3HD2 LEU 345 -2.360 11.895 6.204 244 HD22 LEU 345 1HD2 LEU 345 -1.407 11.938 7.707 245 HD23 LEU 345 2HD2 LEU 345 -3.058 12.606 7.679 246 H LYS 346 H LYS 346 -2.931 15.747 2.788 247 HA LYS 346 HA LYS 346 -5.742 16.473 2.787 248 HB2 LYS 346 1HB LYS 346 -3.452 16.967 0.888 249 HB3 LYS 346 2HB LYS 346 -5.105 17.557 0.591 250 HG2 LYS 346 1HG LYS 346 -5.020 18.861 2.675 251 HG3 LYS 346 2HG LYS 346 -3.371 18.264 2.984 252 HD2 LYS 346 1HD LYS 346 -2.618 19.310 0.868 253 HD3 LYS 346 2HD LYS 346 -4.260 19.950 0.619 254 HE2 LYS 346 1HE LYS 346 -4.093 21.225 2.704 255 HE3 LYS 346 2HE LYS 346 -2.463 20.569 2.985 256 HZ1 LYS 346 3HZ LYS 346 -3.257 22.273 0.711 257 HZ2 LYS 346 1HZ LYS 346 -2.383 22.767 2.020 258 HZ3 LYS 346 2HZ LYS 346 -1.746 21.664 0.970 259 H ARG 347 H ARG 347 -3.757 14.260 0.865 260 HA ARG 347 HA ARG 347 -5.999 13.436 -0.817 261 HB2 ARG 347 1HB ARG 347 -3.320 12.228 -0.318 262 HB3 ARG 347 2HB ARG 347 -4.561 11.532 -1.386 263 HG2 ARG 347 1HG ARG 347 -4.509 13.549 -2.777 264 HG3 ARG 347 2HG ARG 347 -3.287 14.267 -1.700 265 HD2 ARG 347 1HD ARG 347 -1.726 12.533 -2.302 266 HD3 ARG 347 2HD ARG 347 -2.948 11.790 -3.360 267 HE ARG 347 HE ARG 347 -2.474 14.454 -4.360 268 HH11 ARG 347 1HH1 ARG 347 -0.666 11.500 -3.951 269 HH12 ARG 347 2HH1 ARG 347 0.317 11.900 -5.346 270 HH21 ARG 347 1HH2 ARG 347 -1.352 14.931 -5.954 271 HH22 ARG 347 2HH2 ARG 347 -0.073 13.858 -6.489 272 H LEU 348 H LEU 348 -4.598 12.380 2.240 273 HA LEU 348 HA LEU 348 -6.033 9.945 2.541 274 HB2 LEU 348 1HB LEU 348 -4.240 10.922 3.862 275 HB3 LEU 348 2HB LEU 348 -5.383 11.920 4.790 276 HG LEU 348 HG LEU 348 -5.368 8.881 4.612 277 HD11 LEU 348 1HD1 LEU 348 -4.774 9.003 7.047 278 HD12 LEU 348 2HD1 LEU 348 -3.546 9.806 6.041 279 HD13 LEU 348 3HD1 LEU 348 -4.739 10.777 6.934 280 HD21 LEU 348 3HD2 LEU 348 -7.625 9.748 4.779 281 HD22 LEU 348 1HD2 LEU 348 -7.158 8.973 6.311 282 HD23 LEU 348 2HD2 LEU 348 -7.170 10.749 6.177 283 H LYS 349 H LYS 349 -6.961 13.210 3.664 284 HA LYS 349 HA LYS 349 -9.667 12.228 4.305 285 HB2 LYS 349 1HB LYS 349 -8.501 13.866 5.726 286 HB3 LYS 349 2HB LYS 349 -8.490 15.011 4.364 287 HG2 LYS 349 1HG LYS 349 -10.933 15.092 4.381 288 HG3 LYS 349 2HG LYS 349 -10.981 13.892 5.694 289 HD2 LYS 349 1HD LYS 349 -9.773 15.452 7.167 290 HD3 LYS 349 2HD LYS 349 -9.721 16.652 5.853 291 HE2 LYS 349 1HE LYS 349 -12.172 16.736 5.823 292 HE3 LYS 349 2HE LYS 349 -12.235 15.523 7.121 293 HZ1 LYS 349 3HZ LYS 349 -11.039 18.211 7.343 294 HZ2 LYS 349 1HZ LYS 349 -12.493 17.753 7.973 295 HZ3 LYS 349 2HZ LYS 349 -11.097 17.085 8.548 Start of MODEL 17 1 H GLU 315 1H GLU 315 3.256 7.066 -4.089 2 HA GLU 315 HA GLU 315 0.438 7.530 -4.219 3 HB2 GLU 315 1HB GLU 315 2.104 5.249 -5.295 4 HB3 GLU 315 2HB GLU 315 0.402 5.563 -5.714 5 HG2 GLU 315 1HG GLU 315 1.111 7.785 -6.733 6 HG3 GLU 315 2HG GLU 315 2.751 7.348 -6.199 7 H ASP 316 H ASP 316 2.338 5.089 -2.538 8 HA ASP 316 HA ASP 316 -0.172 3.773 -1.612 9 HB2 ASP 316 1HB ASP 316 2.758 2.936 -1.166 10 HB3 ASP 316 2HB ASP 316 1.229 2.199 -0.624 11 H VAL 317 H VAL 317 2.105 6.123 -0.630 12 HA VAL 317 HA VAL 317 2.229 5.551 2.200 13 HB VAL 317 HB VAL 317 3.877 7.045 1.262 14 HG11 VAL 317 1HG1 VAL 317 3.255 9.230 0.287 15 HG12 VAL 317 2HG1 VAL 317 2.542 7.888 -0.641 16 HG13 VAL 317 3HG1 VAL 317 1.532 8.827 0.484 17 HG21 VAL 317 3HG2 VAL 317 3.227 7.490 3.553 18 HG22 VAL 317 1HG2 VAL 317 3.650 8.999 2.710 19 HG23 VAL 317 2HG2 VAL 317 1.941 8.588 2.994 20 H TRP 318 H TRP 318 0.044 7.615 0.308 21 HA TRP 318 HA TRP 318 -1.268 8.572 2.753 22 HB2 TRP 318 1HB TRP 318 -2.769 9.754 1.160 23 HB3 TRP 318 2HB TRP 318 -1.055 10.054 0.785 24 HD1 TRP 318 HD1 TRP 318 -0.159 9.213 -1.370 25 HE1 TRP 318 HE1 TRP 318 -1.272 8.283 -3.652 26 HE3 TRP 318 HE3 TRP 318 -4.831 8.300 0.411 27 HZ2 TRP 318 HZ2 TRP 318 -3.766 7.348 -4.384 28 HZ3 TRP 318 HZ3 TRP 318 -6.537 7.410 -1.053 29 HH2 TRP 318 HH2 TRP 318 -6.076 6.918 -3.416 30 H GLU 319 H GLU 319 -1.657 5.917 0.575 31 HA GLU 319 HA GLU 319 -4.375 5.273 1.433 32 HB2 GLU 319 1HB GLU 319 -2.175 3.638 0.163 33 HB3 GLU 319 2HB GLU 319 -3.814 3.034 0.503 34 HG2 GLU 319 1HG GLU 319 -4.755 4.742 -1.105 35 HG3 GLU 319 2HG GLU 319 -3.086 5.338 -1.257 36 H ILE 320 H ILE 320 -1.111 4.482 2.525 37 HA ILE 320 HA ILE 320 -2.083 2.636 4.601 38 HB ILE 320 HB ILE 320 0.614 3.975 4.105 39 HG12 ILE 320 1HG1 ILE 320 -0.176 1.087 3.861 40 HG13 ILE 320 2HG1 ILE 320 -0.184 2.245 2.510 41 HG21 ILE 320 1HG2 ILE 320 1.484 2.459 5.854 42 HG22 ILE 320 2HG2 ILE 320 0.268 3.573 6.520 43 HG23 ILE 320 3HG2 ILE 320 -0.168 1.883 6.178 44 HD11 ILE 320 3HD1 ILE 320 2.241 1.458 4.164 45 HD12 ILE 320 1HD1 ILE 320 1.879 0.898 2.516 46 HD13 ILE 320 2HD1 ILE 320 2.233 2.617 2.814 47 H LEU 321 H LEU 321 -1.199 6.041 4.426 48 HA LEU 321 HA LEU 321 -1.211 6.601 7.204 49 HB2 LEU 321 1HB LEU 321 -2.003 8.058 4.786 50 HB3 LEU 321 2HB LEU 321 -2.084 8.941 6.328 51 HG LEU 321 HG LEU 321 0.405 7.729 5.062 52 HD11 LEU 321 1HD1 LEU 321 1.142 10.118 4.857 53 HD12 LEU 321 2HD1 LEU 321 -0.364 9.827 3.955 54 HD13 LEU 321 3HD1 LEU 321 -0.416 10.642 5.536 55 HD21 LEU 321 3HD2 LEU 321 0.479 7.567 7.481 56 HD22 LEU 321 1HD2 LEU 321 1.631 8.801 6.920 57 HD23 LEU 321 2HD2 LEU 321 0.077 9.293 7.638 58 H ARG 322 H ARG 322 -3.879 6.083 4.978 59 HA ARG 322 HA ARG 322 -5.983 7.063 6.649 60 HB2 ARG 322 1HB ARG 322 -5.931 4.995 4.509 61 HB3 ARG 322 2HB ARG 322 -7.396 5.421 5.424 62 HG2 ARG 322 1HG ARG 322 -7.235 7.732 4.650 63 HG3 ARG 322 2HG ARG 322 -5.729 7.351 3.781 64 HD2 ARG 322 1HD ARG 322 -6.901 5.920 2.285 65 HD3 ARG 322 2HD ARG 322 -8.408 6.130 3.206 66 HE ARG 322 HE ARG 322 -7.683 8.732 2.218 67 HH11 ARG 322 1HH1 ARG 322 -8.528 5.637 0.853 68 HH12 ARG 322 2HH1 ARG 322 -9.225 6.436 -0.542 69 HH21 ARG 322 1HH2 ARG 322 -8.471 9.662 0.623 70 HH22 ARG 322 2HH2 ARG 322 -9.193 8.731 -0.675 71 H GLN 323 H GLN 323 -4.130 4.094 6.737 72 HA GLN 323 HA GLN 323 -5.973 3.042 8.848 73 HB2 GLN 323 1HB GLN 323 -3.809 1.636 7.269 74 HB3 GLN 323 2HB GLN 323 -4.925 0.891 8.438 75 HG2 GLN 323 1HG GLN 323 -5.792 1.928 5.602 76 HG3 GLN 323 2HG GLN 323 -5.513 0.363 6.400 77 HE21 GLN 323 2HE2 GLN 323 -7.808 2.638 5.542 78 HE22 GLN 323 1HE2 GLN 323 -9.078 2.173 6.624 79 H ALA 324 H ALA 324 -3.321 4.895 8.667 80 HA ALA 324 HA ALA 324 -1.842 3.487 10.828 81 HB1 ALA 324 3HB ALA 324 -1.094 5.916 9.163 82 HB2 ALA 324 1HB ALA 324 -0.060 5.130 10.378 83 HB3 ALA 324 2HB ALA 324 -0.525 4.250 8.903 84 HA PRO 325 HA PRO 325 -3.380 6.163 14.005 85 HB2 PRO 325 1HB PRO 325 -0.618 5.792 15.183 86 HB3 PRO 325 2HB PRO 325 -2.186 5.425 15.914 87 HG2 PRO 325 1HG PRO 325 -0.618 3.429 15.077 88 HG3 PRO 325 2HG PRO 325 -2.365 3.337 14.819 89 HD2 PRO 325 1HD PRO 325 -0.184 4.089 12.817 90 HD3 PRO 325 2HD PRO 325 -1.586 3.036 12.582 91 HA PRO 326 HA PRO 326 -2.071 10.142 12.931 92 HB2 PRO 326 1HB PRO 326 -2.405 10.748 15.898 93 HB3 PRO 326 2HB PRO 326 -3.123 11.583 14.514 94 HG2 PRO 326 1HG PRO 326 -4.639 9.960 15.985 95 HG3 PRO 326 2HG PRO 326 -4.811 9.944 14.225 96 HD2 PRO 326 1HD PRO 326 -3.373 7.944 16.015 97 HD3 PRO 326 2HD PRO 326 -4.361 7.639 14.581 98 H SER 327 H SER 327 -0.634 8.558 15.740 99 HA SER 327 HA SER 327 1.623 10.411 15.997 100 HB2 SER 327 1HB SER 327 2.473 8.974 17.545 101 HB3 SER 327 2HB SER 327 0.724 9.155 17.812 102 HG SER 327 HG SER 327 2.090 6.959 16.657 103 H GLU 328 H GLU 328 0.833 7.764 13.888 104 HA GLU 328 HA GLU 328 3.717 7.179 13.364 105 HB2 GLU 328 1HB GLU 328 1.238 5.711 12.455 106 HB3 GLU 328 2HB GLU 328 2.929 5.193 12.248 107 HG2 GLU 328 1HG GLU 328 1.337 5.287 14.873 108 HG3 GLU 328 2HG GLU 328 2.036 3.930 13.959 109 H TYR 329 H TYR 329 1.502 9.289 12.286 110 HA TYR 329 HA TYR 329 1.330 8.924 9.487 111 HB2 TYR 329 1HB TYR 329 1.372 11.351 11.262 112 HB3 TYR 329 2HB TYR 329 1.288 11.500 9.490 113 HD1 TYR 329 HD1 TYR 329 -0.347 8.586 9.873 114 HD2 TYR 329 HD2 TYR 329 -0.886 12.681 10.930 115 HE1 TYR 329 HE1 TYR 329 -2.798 8.233 9.960 116 HE2 TYR 329 HE2 TYR 329 -3.333 12.348 11.021 117 HH TYR 329 HH TYR 329 -5.052 10.873 10.779 118 H GLU 330 H GLU 330 3.806 10.726 11.325 119 HA GLU 330 HA GLU 330 5.300 11.507 8.998 120 HB2 GLU 330 1HB GLU 330 6.055 11.173 11.901 121 HB3 GLU 330 2HB GLU 330 7.165 11.801 10.658 122 HG2 GLU 330 1HG GLU 330 5.590 13.745 10.272 123 HG3 GLU 330 2HG GLU 330 4.519 12.948 11.446 124 H ARG 331 H ARG 331 5.519 8.683 11.131 125 HA ARG 331 HA ARG 331 8.021 7.740 10.041 126 HB2 ARG 331 1HB ARG 331 5.887 6.411 11.634 127 HB3 ARG 331 2HB ARG 331 7.331 5.566 11.030 128 HG2 ARG 331 1HG ARG 331 8.775 7.077 12.286 129 HG3 ARG 331 2HG ARG 331 7.357 8.000 12.843 130 HD2 ARG 331 1HD ARG 331 6.587 6.135 14.109 131 HD3 ARG 331 2HD ARG 331 7.901 5.117 13.473 132 HE ARG 331 HE ARG 331 9.136 7.276 14.936 133 HH11 ARG 331 1HH1 ARG 331 7.036 4.578 15.619 134 HH12 ARG 331 2HH1 ARG 331 7.706 4.458 17.235 135 HH21 ARG 331 1HH2 ARG 331 9.907 7.157 16.785 136 HH22 ARG 331 2HH2 ARG 331 9.343 5.929 17.901 137 H ILE 332 H ILE 332 4.631 7.090 9.241 138 HA ILE 332 HA ILE 332 5.184 5.059 7.258 139 HB ILE 332 HB ILE 332 2.861 7.012 7.579 140 HG12 ILE 332 1HG1 ILE 332 3.061 5.473 9.393 141 HG13 ILE 332 2HG1 ILE 332 1.641 5.100 8.388 142 HG21 ILE 332 1HG2 ILE 332 1.660 5.560 5.980 143 HG22 ILE 332 2HG2 ILE 332 3.092 6.297 5.225 144 HG23 ILE 332 3HG2 ILE 332 3.137 4.596 5.745 145 HD11 ILE 332 3HD1 ILE 332 4.297 3.625 8.330 146 HD12 ILE 332 1HD1 ILE 332 2.798 3.042 9.090 147 HD13 ILE 332 2HD1 ILE 332 2.876 3.253 7.325 148 H ALA 333 H ALA 333 4.874 8.584 7.023 149 HA ALA 333 HA ALA 333 5.311 8.690 4.198 150 HB1 ALA 333 3HB ALA 333 5.978 10.732 6.345 151 HB2 ALA 333 1HB ALA 333 5.915 11.046 4.596 152 HB3 ALA 333 2HB ALA 333 4.433 10.594 5.472 153 H PHE 334 H PHE 334 7.524 8.578 6.953 154 HA PHE 334 HA PHE 334 9.916 9.175 5.465 155 HB2 PHE 334 1HB PHE 334 9.479 7.650 8.068 156 HB3 PHE 334 2HB PHE 334 11.072 8.107 7.425 157 HD1 PHE 334 HD1 PHE 334 9.519 10.790 6.346 158 HD2 PHE 334 HD2 PHE 334 10.291 8.887 10.091 159 HE1 PHE 334 HE1 PHE 334 9.357 12.976 7.488 160 HE2 PHE 334 HE2 PHE 334 10.126 11.071 11.238 161 HZ PHE 334 HZ PHE 334 9.660 13.117 9.934 162 H GLN 335 H GLN 335 8.104 6.213 5.999 163 HA GLN 335 HA GLN 335 10.151 4.409 5.076 164 HB2 GLN 335 1HB GLN 335 7.134 4.249 5.152 165 HB3 GLN 335 2HB GLN 335 8.173 2.915 4.597 166 HG2 GLN 335 1HG GLN 335 9.221 2.932 7.100 167 HG3 GLN 335 2HG GLN 335 8.059 4.278 7.142 168 HE21 GLN 335 2HE2 GLN 335 7.941 2.250 9.008 169 HE22 GLN 335 1HE2 GLN 335 6.528 1.286 8.735 170 H HIS 336 H HIS 336 7.961 6.543 3.432 171 HA HIS 336 HA HIS 336 8.562 5.185 0.835 172 HB2 HIS 336 1HB HIS 336 6.426 7.228 1.593 173 HB3 HIS 336 2HB HIS 336 6.695 6.602 -0.051 174 HD2 HIS 336 HD2 HIS 336 5.444 4.090 -0.583 175 HE1 HIS 336 HE1 HIS 336 4.092 3.548 3.408 176 H GLY 337 H GLY 337 9.816 7.546 2.731 177 HA2 GLY 337 1HA GLY 337 11.462 9.112 2.237 178 HA3 GLY 337 2HA GLY 337 11.338 8.659 0.522 179 H VAL 338 H VAL 338 8.495 9.579 2.334 180 HA VAL 338 HA VAL 338 8.197 11.976 0.555 181 HB VAL 338 HB VAL 338 6.179 10.516 2.312 182 HG11 VAL 338 1HG1 VAL 338 4.517 11.930 1.148 183 HG12 VAL 338 2HG1 VAL 338 5.684 12.925 2.052 184 HG13 VAL 338 3HG1 VAL 338 5.830 12.764 0.285 185 HG21 VAL 338 3HG2 VAL 338 6.860 9.159 0.425 186 HG22 VAL 338 1HG2 VAL 338 5.197 9.754 0.208 187 HG23 VAL 338 2HG2 VAL 338 6.536 10.509 -0.688 188 H THR 339 H THR 339 8.500 13.915 1.183 189 HA THR 339 HA THR 339 8.756 14.433 4.110 190 HB THR 339 HB THR 339 9.789 16.565 3.441 191 HG1 THR 339 HG1 THR 339 10.142 16.920 1.170 192 HG21 THR 339 1HG2 THR 339 11.815 15.672 2.347 193 HG22 THR 339 2HG2 THR 339 11.232 14.567 3.616 194 HG23 THR 339 3HG2 THR 339 10.925 14.197 1.903 195 H ASP 340 H ASP 340 6.724 15.104 1.370 196 HA ASP 340 HA ASP 340 5.248 17.224 2.805 197 HB2 ASP 340 1HB ASP 340 5.574 17.171 0.207 198 HB3 ASP 340 2HB ASP 340 4.537 15.731 0.366 199 H LEU 341 H LEU 341 4.857 15.821 4.672 200 HA LEU 341 HA LEU 341 3.057 13.585 4.485 201 HB2 LEU 341 1HB LEU 341 4.413 13.907 6.289 202 HB3 LEU 341 2HB LEU 341 3.751 15.479 6.792 203 HG LEU 341 HG LEU 341 1.554 14.335 7.216 204 HD11 LEU 341 1HD1 LEU 341 1.589 11.837 7.448 205 HD12 LEU 341 2HD1 LEU 341 1.948 12.335 5.779 206 HD13 LEU 341 3HD1 LEU 341 3.267 11.820 6.858 207 HD21 LEU 341 3HD2 LEU 341 3.062 14.859 9.041 208 HD22 LEU 341 1HD2 LEU 341 2.245 13.309 9.354 209 HD23 LEU 341 2HD2 LEU 341 3.935 13.327 8.797 210 H ARG 342 H ARG 342 2.512 17.056 4.997 211 HA ARG 342 HA ARG 342 -0.282 16.833 5.592 212 HB2 ARG 342 1HB ARG 342 1.350 19.090 4.538 213 HB3 ARG 342 2HB ARG 342 -0.396 19.196 4.859 214 HG2 ARG 342 1HG ARG 342 -0.006 18.641 7.215 215 HG3 ARG 342 2HG ARG 342 1.741 18.510 6.900 216 HD2 ARG 342 1HD ARG 342 1.827 20.852 6.345 217 HD3 ARG 342 2HD ARG 342 0.074 20.990 6.620 218 HE ARG 342 HE ARG 342 1.293 20.138 9.106 219 HH11 ARG 342 1HH1 ARG 342 1.290 22.937 7.027 220 HH12 ARG 342 2HH1 ARG 342 1.568 23.974 8.412 221 HH21 ARG 342 1HH2 ARG 342 1.621 21.312 10.702 222 HH22 ARG 342 2HH2 ARG 342 1.758 23.049 10.508 223 H GLY 343 H GLY 343 1.452 17.202 2.522 224 HA2 GLY 343 1HA GLY 343 -0.853 17.480 0.863 225 HA3 GLY 343 2HA GLY 343 0.732 16.853 0.352 226 H MET 344 H MET 344 0.840 14.640 2.159 227 HA MET 344 HA MET 344 -0.824 12.723 0.708 228 HB2 MET 344 1HB MET 344 0.989 12.458 3.106 229 HB3 MET 344 2HB MET 344 0.180 11.102 2.285 230 HG2 MET 344 1HG MET 344 2.242 12.970 1.073 231 HG3 MET 344 2HG MET 344 2.523 11.290 1.589 232 HE1 MET 344 3HE MET 344 2.134 13.442 -1.349 233 HE2 MET 344 1HE MET 344 0.857 12.748 -2.378 234 HE3 MET 344 2HE MET 344 0.426 13.587 -0.867 235 H LEU 345 H LEU 345 -1.000 14.402 3.774 236 HA LEU 345 HA LEU 345 -3.166 12.742 4.812 237 HB2 LEU 345 1HB LEU 345 -2.099 15.419 5.407 238 HB3 LEU 345 2HB LEU 345 -3.391 14.761 6.437 239 HG LEU 345 HG LEU 345 -0.585 13.635 6.087 240 HD11 LEU 345 1HD1 LEU 345 -0.352 14.205 8.519 241 HD12 LEU 345 2HD1 LEU 345 -0.703 15.653 7.546 242 HD13 LEU 345 3HD1 LEU 345 -1.995 14.887 8.501 243 HD21 LEU 345 3HD2 LEU 345 -2.207 11.848 6.320 244 HD22 LEU 345 1HD2 LEU 345 -1.235 11.983 7.805 245 HD23 LEU 345 2HD2 LEU 345 -2.897 12.622 7.767 246 H LYS 346 H LYS 346 -2.927 15.519 2.714 247 HA LYS 346 HA LYS 346 -5.762 16.139 2.733 248 HB2 LYS 346 1HB LYS 346 -3.536 16.604 0.751 249 HB3 LYS 346 2HB LYS 346 -5.215 17.129 0.477 250 HG2 LYS 346 1HG LYS 346 -5.111 18.546 2.480 251 HG3 LYS 346 2HG LYS 346 -3.442 18.007 2.782 252 HD2 LYS 346 1HD LYS 346 -2.755 18.962 0.605 253 HD3 LYS 346 2HD LYS 346 -4.421 19.535 0.345 254 HE2 LYS 346 1HE LYS 346 -4.266 20.931 2.352 255 HE3 LYS 346 2HE LYS 346 -2.613 20.344 2.644 256 HZ1 LYS 346 3HZ LYS 346 -3.493 21.890 0.290 257 HZ2 LYS 346 1HZ LYS 346 -2.617 22.484 1.555 258 HZ3 LYS 346 2HZ LYS 346 -1.959 21.344 0.560 259 H ARG 347 H ARG 347 -3.756 13.807 1.022 260 HA ARG 347 HA ARG 347 -6.013 12.838 -0.590 261 HB2 ARG 347 1HB ARG 347 -3.281 11.747 -0.101 262 HB3 ARG 347 2HB ARG 347 -4.530 10.946 -1.083 263 HG2 ARG 347 1HG ARG 347 -4.589 12.886 -2.592 264 HG3 ARG 347 2HG ARG 347 -3.339 13.687 -1.610 265 HD2 ARG 347 1HD ARG 347 -1.751 12.000 -2.191 266 HD3 ARG 347 2HD ARG 347 -2.996 11.096 -3.085 267 HE ARG 347 HE ARG 347 -2.750 13.644 -4.392 268 HH11 ARG 347 1HH1 ARG 347 -0.679 10.914 -3.744 269 HH12 ARG 347 2HH1 ARG 347 0.212 11.233 -5.219 270 HH21 ARG 347 1HH2 ARG 347 -1.735 14.027 -6.080 271 HH22 ARG 347 2HH2 ARG 347 -0.388 13.007 -6.552 272 H LEU 348 H LEU 348 -4.498 12.039 2.490 273 HA LEU 348 HA LEU 348 -5.870 9.635 3.071 274 HB2 LEU 348 1HB LEU 348 -4.146 10.722 4.310 275 HB3 LEU 348 2HB LEU 348 -5.250 11.920 5.022 276 HG LEU 348 HG LEU 348 -5.322 8.901 5.392 277 HD11 LEU 348 1HD1 LEU 348 -4.912 9.476 7.799 278 HD12 LEU 348 2HD1 LEU 348 -3.604 10.083 6.757 279 HD13 LEU 348 3HD1 LEU 348 -4.852 11.199 7.361 280 HD21 LEU 348 3HD2 LEU 348 -7.577 9.773 5.222 281 HD22 LEU 348 1HD2 LEU 348 -7.235 9.299 6.903 282 HD23 LEU 348 2HD2 LEU 348 -7.219 11.019 6.441 283 H LYS 349 H LYS 349 -6.932 12.949 3.910 284 HA LYS 349 HA LYS 349 -9.647 11.880 4.452 285 HB2 LYS 349 1HB LYS 349 -8.587 13.461 6.009 286 HB3 LYS 349 2HB LYS 349 -8.505 14.669 4.705 287 HG2 LYS 349 1HG LYS 349 -10.953 14.718 4.575 288 HG3 LYS 349 2HG LYS 349 -11.055 13.478 5.849 289 HD2 LYS 349 1HD LYS 349 -9.955 15.003 7.432 290 HD3 LYS 349 2HD LYS 349 -9.833 16.242 6.160 291 HE2 LYS 349 1HE LYS 349 -12.273 16.331 5.988 292 HE3 LYS 349 2HE LYS 349 -12.417 15.059 7.225 293 HZ1 LYS 349 3HZ LYS 349 -11.246 17.735 7.645 294 HZ2 LYS 349 1HZ LYS 349 -12.736 17.249 8.158 295 HZ3 LYS 349 2HZ LYS 349 -11.380 16.557 8.792 Start of MODEL 18 1 H GLU 315 1H GLU 315 4.516 7.723 -3.516 2 HA GLU 315 HA GLU 315 2.864 9.994 -2.980 3 HB2 GLU 315 1HB GLU 315 2.835 8.053 -5.296 4 HB3 GLU 315 2HB GLU 315 1.959 9.602 -5.243 5 HG2 GLU 315 1HG GLU 315 4.190 10.810 -5.088 6 HG3 GLU 315 2HG GLU 315 4.916 9.187 -5.083 7 H ASP 316 H ASP 316 2.198 6.562 -2.918 8 HA ASP 316 HA ASP 316 -0.680 7.191 -2.348 9 HB2 ASP 316 1HB ASP 316 -1.186 4.874 -3.076 10 HB3 ASP 316 2HB ASP 316 -0.242 5.848 -4.229 11 H VAL 317 H VAL 317 1.713 7.313 -0.527 12 HA VAL 317 HA VAL 317 1.473 5.054 1.314 13 HB VAL 317 HB VAL 317 3.488 6.655 1.064 14 HG11 VAL 317 1HG1 VAL 317 3.405 8.658 2.511 15 HG12 VAL 317 2HG1 VAL 317 2.207 8.764 1.200 16 HG13 VAL 317 3HG1 VAL 317 1.687 8.341 2.850 17 HG21 VAL 317 3HG2 VAL 317 3.331 4.969 2.797 18 HG22 VAL 317 1HG2 VAL 317 4.055 6.464 3.433 19 HG23 VAL 317 2HG2 VAL 317 2.360 6.069 3.805 20 H TRP 318 H TRP 318 -0.359 7.916 0.793 21 HA TRP 318 HA TRP 318 -1.422 8.239 3.438 22 HB2 TRP 318 1HB TRP 318 -3.219 9.501 2.341 23 HB3 TRP 318 2HB TRP 318 -1.658 9.926 1.597 24 HD1 TRP 318 HD1 TRP 318 -1.306 9.369 -0.786 25 HE1 TRP 318 HE1 TRP 318 -2.907 8.574 -2.814 26 HE3 TRP 318 HE3 TRP 318 -5.333 7.955 1.973 27 HZ2 TRP 318 HZ2 TRP 318 -5.458 7.529 -3.011 28 HZ3 TRP 318 HZ3 TRP 318 -7.306 7.081 0.884 29 HH2 TRP 318 HH2 TRP 318 -7.428 6.845 -1.560 30 H GLU 319 H GLU 319 -2.024 5.889 0.960 31 HA GLU 319 HA GLU 319 -4.574 4.954 1.947 32 HB2 GLU 319 1HB GLU 319 -2.355 3.608 0.402 33 HB3 GLU 319 2HB GLU 319 -3.915 2.840 0.782 34 HG2 GLU 319 1HG GLU 319 -5.093 4.626 -0.577 35 HG3 GLU 319 2HG GLU 319 -3.479 5.345 -0.790 36 H ILE 320 H ILE 320 -1.218 4.201 2.786 37 HA ILE 320 HA ILE 320 -1.987 2.244 4.831 38 HB ILE 320 HB ILE 320 0.576 3.831 4.353 39 HG12 ILE 320 1HG1 ILE 320 0.021 0.907 3.947 40 HG13 ILE 320 2HG1 ILE 320 -0.097 2.138 2.669 41 HG21 ILE 320 1HG2 ILE 320 1.606 2.299 5.996 42 HG22 ILE 320 2HG2 ILE 320 0.314 3.265 6.745 43 HG23 ILE 320 3HG2 ILE 320 0.017 1.565 6.310 44 HD11 ILE 320 3HD1 ILE 320 2.405 1.451 4.250 45 HD12 ILE 320 1HD1 ILE 320 2.066 0.963 2.574 46 HD13 ILE 320 2HD1 ILE 320 2.287 2.684 2.972 47 H LEU 321 H LEU 321 -1.266 5.707 4.813 48 HA LEU 321 HA LEU 321 -1.367 6.011 7.668 49 HB2 LEU 321 1HB LEU 321 -1.578 7.641 5.282 50 HB3 LEU 321 2HB LEU 321 -2.119 8.484 6.753 51 HG LEU 321 HG LEU 321 0.041 8.339 7.748 52 HD11 LEU 321 1HD1 LEU 321 1.935 7.106 6.657 53 HD12 LEU 321 2HD1 LEU 321 0.581 6.013 7.030 54 HD13 LEU 321 3HD1 LEU 321 0.829 6.586 5.363 55 HD21 LEU 321 3HD2 LEU 321 -0.184 10.115 6.113 56 HD22 LEU 321 1HD2 LEU 321 1.487 9.500 6.116 57 HD23 LEU 321 2HD2 LEU 321 0.367 9.029 4.815 58 H ARG 322 H ARG 322 -3.846 5.716 5.244 59 HA ARG 322 HA ARG 322 -6.035 6.904 6.590 60 HB2 ARG 322 1HB ARG 322 -6.151 6.176 4.324 61 HB3 ARG 322 2HB ARG 322 -6.039 4.480 4.847 62 HG2 ARG 322 1HG ARG 322 -8.169 4.681 6.026 63 HG3 ARG 322 2HG ARG 322 -8.276 6.398 5.568 64 HD2 ARG 322 1HD ARG 322 -8.415 5.767 3.239 65 HD3 ARG 322 2HD ARG 322 -8.311 4.051 3.699 66 HE ARG 322 HE ARG 322 -10.785 5.687 3.924 67 HH11 ARG 322 1HH1 ARG 322 -9.155 2.765 4.906 68 HH12 ARG 322 2HH1 ARG 322 -10.693 2.049 5.351 69 HH21 ARG 322 1HH2 ARG 322 -12.553 4.880 4.421 70 HH22 ARG 322 2HH2 ARG 322 -12.632 3.254 5.074 71 H GLN 323 H GLN 323 -4.560 3.718 7.039 72 HA GLN 323 HA GLN 323 -6.509 3.235 9.266 73 HB2 GLN 323 1HB GLN 323 -4.874 1.294 7.617 74 HB3 GLN 323 2HB GLN 323 -5.927 0.859 8.984 75 HG2 GLN 323 1HG GLN 323 -7.987 1.733 7.476 76 HG3 GLN 323 2HG GLN 323 -6.573 2.127 6.468 77 HE21 GLN 323 2HE2 GLN 323 -8.826 0.546 5.675 78 HE22 GLN 323 1HE2 GLN 323 -8.249 -1.053 5.339 79 H ALA 324 H ALA 324 -3.865 4.738 9.186 80 HA ALA 324 HA ALA 324 -2.465 3.092 11.252 81 HB1 ALA 324 3HB ALA 324 -1.376 5.299 9.470 82 HB2 ALA 324 1HB ALA 324 -0.454 4.408 10.703 83 HB3 ALA 324 2HB ALA 324 -1.086 3.554 9.276 84 HA PRO 325 HA PRO 325 -3.355 6.109 14.370 85 HB2 PRO 325 1HB PRO 325 -0.512 5.600 15.276 86 HB3 PRO 325 2HB PRO 325 -2.012 5.419 16.196 87 HG2 PRO 325 1HG PRO 325 -0.700 3.244 15.361 88 HG3 PRO 325 2HG PRO 325 -2.466 3.279 15.299 89 HD2 PRO 325 1HD PRO 325 -0.475 3.696 13.023 90 HD3 PRO 325 2HD PRO 325 -1.973 2.756 13.023 91 HA PRO 326 HA PRO 326 -1.779 9.809 12.839 92 HB2 PRO 326 1HB PRO 326 -2.045 11.424 15.095 93 HB3 PRO 326 2HB PRO 326 -3.444 10.917 14.140 94 HG2 PRO 326 1HG PRO 326 -2.351 9.719 16.705 95 HG3 PRO 326 2HG PRO 326 -4.029 10.070 16.269 96 HD2 PRO 326 1HD PRO 326 -3.060 7.537 16.072 97 HD3 PRO 326 2HD PRO 326 -4.209 8.144 14.872 98 H SER 327 H SER 327 -0.316 8.292 15.589 99 HA SER 327 HA SER 327 2.022 10.071 15.769 100 HB2 SER 327 1HB SER 327 2.898 8.567 17.242 101 HB3 SER 327 2HB SER 327 1.182 8.840 17.622 102 HG SER 327 HG SER 327 2.353 6.588 16.366 103 H GLU 328 H GLU 328 0.983 7.559 13.627 104 HA GLU 328 HA GLU 328 3.793 6.759 12.994 105 HB2 GLU 328 1HB GLU 328 1.187 5.524 12.101 106 HB3 GLU 328 2HB GLU 328 2.827 4.870 11.871 107 HG2 GLU 328 1HG GLU 328 1.298 5.078 14.530 108 HG3 GLU 328 2HG GLU 328 1.787 3.665 13.567 109 H TYR 329 H TYR 329 1.603 9.001 12.008 110 HA TYR 329 HA TYR 329 1.533 8.688 9.169 111 HB2 TYR 329 1HB TYR 329 1.382 11.102 10.975 112 HB3 TYR 329 2HB TYR 329 1.219 11.200 9.204 113 HD1 TYR 329 HD1 TYR 329 -0.125 8.135 9.926 114 HD2 TYR 329 HD2 TYR 329 -1.016 12.266 10.493 115 HE1 TYR 329 HE1 TYR 329 -2.532 7.582 10.118 116 HE2 TYR 329 HE2 TYR 329 -3.421 11.732 10.687 117 HH TYR 329 HH TYR 329 -4.634 8.380 10.438 118 H GLU 330 H GLU 330 3.781 10.562 11.214 119 HA GLU 330 HA GLU 330 5.360 11.481 8.974 120 HB2 GLU 330 1HB GLU 330 5.922 11.240 11.930 121 HB3 GLU 330 2HB GLU 330 7.061 11.949 10.760 122 HG2 GLU 330 1HG GLU 330 5.390 13.762 10.247 123 HG3 GLU 330 2HG GLU 330 4.272 12.875 11.308 124 H ARG 331 H ARG 331 5.801 8.816 11.302 125 HA ARG 331 HA ARG 331 8.377 8.030 10.338 126 HB2 ARG 331 1HB ARG 331 7.540 7.380 12.481 127 HB3 ARG 331 2HB ARG 331 6.305 6.368 11.699 128 HG2 ARG 331 1HG ARG 331 8.133 5.028 10.660 129 HG3 ARG 331 2HG ARG 331 9.312 5.990 11.583 130 HD2 ARG 331 1HD ARG 331 8.965 3.904 12.655 131 HD3 ARG 331 2HD ARG 331 8.272 5.204 13.652 132 HE ARG 331 HE ARG 331 6.094 4.103 13.350 133 HH11 ARG 331 1HH1 ARG 331 8.344 2.852 10.998 134 HH12 ARG 331 2HH1 ARG 331 7.202 1.594 10.566 135 HH21 ARG 331 1HH2 ARG 331 4.772 2.674 12.860 136 HH22 ARG 331 2HH2 ARG 331 5.164 1.492 11.626 137 H ILE 332 H ILE 332 5.159 6.654 9.604 138 HA ILE 332 HA ILE 332 6.102 4.726 7.711 139 HB ILE 332 HB ILE 332 3.430 6.180 7.937 140 HG12 ILE 332 1HG1 ILE 332 4.153 3.353 8.652 141 HG13 ILE 332 2HG1 ILE 332 4.167 4.712 9.800 142 HG21 ILE 332 1HG2 ILE 332 2.549 4.422 6.438 143 HG22 ILE 332 2HG2 ILE 332 3.798 5.390 5.623 144 HG23 ILE 332 3HG2 ILE 332 4.192 3.769 6.238 145 HD11 ILE 332 3HD1 ILE 332 1.749 3.718 8.251 146 HD12 ILE 332 1HD1 ILE 332 2.075 3.422 9.975 147 HD13 ILE 332 2HD1 ILE 332 1.763 5.076 9.399 148 H ALA 333 H ALA 333 4.960 8.051 7.176 149 HA ALA 333 HA ALA 333 5.323 8.083 4.376 150 HB1 ALA 333 3HB ALA 333 5.767 10.329 6.373 151 HB2 ALA 333 1HB ALA 333 5.556 10.525 4.618 152 HB3 ALA 333 2HB ALA 333 4.218 9.895 5.609 153 H PHE 334 H PHE 334 7.672 8.720 6.973 154 HA PHE 334 HA PHE 334 9.817 9.476 5.199 155 HB2 PHE 334 1HB PHE 334 9.830 8.411 8.054 156 HB3 PHE 334 2HB PHE 334 11.262 9.036 7.206 157 HD1 PHE 334 HD1 PHE 334 9.135 11.122 5.823 158 HD2 PHE 334 HD2 PHE 334 10.481 10.137 9.755 159 HE1 PHE 334 HE1 PHE 334 8.588 13.411 6.582 160 HE2 PHE 334 HE2 PHE 334 9.934 12.423 10.519 161 HZ PHE 334 HZ PHE 334 8.988 14.061 8.930 162 H GLN 335 H GLN 335 8.618 6.388 6.339 163 HA GLN 335 HA GLN 335 10.954 4.864 5.551 164 HB2 GLN 335 1HB GLN 335 8.055 4.087 5.939 165 HB3 GLN 335 2HB GLN 335 9.384 2.939 5.649 166 HG2 GLN 335 1HG GLN 335 9.052 4.610 8.288 167 HG3 GLN 335 2HG GLN 335 8.845 2.922 7.763 168 HE21 GLN 335 2HE2 GLN 335 10.898 5.078 9.255 169 HE22 GLN 335 1HE2 GLN 335 12.397 4.235 9.047 170 H HIS 336 H HIS 336 8.317 6.261 3.821 171 HA HIS 336 HA HIS 336 8.966 4.574 1.434 172 HB2 HIS 336 1HB HIS 336 6.536 6.290 2.106 173 HB3 HIS 336 2HB HIS 336 6.814 5.535 0.518 174 HD2 HIS 336 HD2 HIS 336 6.252 2.700 0.410 175 HE1 HIS 336 HE1 HIS 336 4.914 2.552 4.441 176 H GLY 337 H GLY 337 10.037 7.304 2.775 177 HA2 GLY 337 1HA GLY 337 11.464 8.883 1.824 178 HA3 GLY 337 2HA GLY 337 11.088 8.221 0.215 179 H VAL 338 H VAL 338 8.489 9.110 2.353 180 HA VAL 338 HA VAL 338 7.799 11.400 0.536 181 HB VAL 338 HB VAL 338 6.110 9.896 2.580 182 HG11 VAL 338 1HG1 VAL 338 4.232 11.154 1.578 183 HG12 VAL 338 2HG1 VAL 338 5.433 12.256 2.291 184 HG13 VAL 338 3HG1 VAL 338 5.375 12.022 0.528 185 HG21 VAL 338 3HG2 VAL 338 6.643 8.494 0.677 186 HG22 VAL 338 1HG2 VAL 338 4.931 8.979 0.646 187 HG23 VAL 338 2HG2 VAL 338 6.100 9.771 -0.439 188 H THR 339 H THR 339 8.135 13.360 1.066 189 HA THR 339 HA THR 339 8.534 13.992 3.967 190 HB THR 339 HB THR 339 9.682 16.026 3.187 191 HG1 THR 339 HG1 THR 339 10.060 16.236 0.902 192 HG21 THR 339 1HG2 THR 339 11.659 14.965 2.156 193 HG22 THR 339 2HG2 THR 339 11.014 13.966 3.480 194 HG23 THR 339 3HG2 THR 339 10.691 13.517 1.790 195 H ASP 340 H ASP 340 6.536 14.617 1.194 196 HA ASP 340 HA ASP 340 5.186 16.897 2.500 197 HB2 ASP 340 1HB ASP 340 5.498 16.669 -0.090 198 HB3 ASP 340 2HB ASP 340 4.384 15.303 0.155 199 H LEU 341 H LEU 341 4.734 15.619 4.447 200 HA LEU 341 HA LEU 341 2.826 13.456 4.356 201 HB2 LEU 341 1HB LEU 341 4.291 13.797 6.104 202 HB3 LEU 341 2HB LEU 341 3.625 15.363 6.622 203 HG LEU 341 HG LEU 341 1.460 14.211 7.122 204 HD11 LEU 341 1HD1 LEU 341 1.493 11.711 7.319 205 HD12 LEU 341 2HD1 LEU 341 1.793 12.230 5.645 206 HD13 LEU 341 3HD1 LEU 341 3.148 11.696 6.667 207 HD21 LEU 341 3HD2 LEU 341 3.036 14.704 8.897 208 HD22 LEU 341 1HD2 LEU 341 2.223 13.154 9.220 209 HD23 LEU 341 2HD2 LEU 341 3.893 13.174 8.601 210 H ARG 342 H ARG 342 2.503 16.965 4.666 211 HA ARG 342 HA ARG 342 -0.299 16.940 5.334 212 HB2 ARG 342 1HB ARG 342 1.461 19.043 4.172 213 HB3 ARG 342 2HB ARG 342 -0.273 19.270 4.499 214 HG2 ARG 342 1HG ARG 342 0.106 18.796 6.876 215 HG3 ARG 342 2HG ARG 342 1.838 18.543 6.554 216 HD2 ARG 342 1HD ARG 342 2.066 20.847 5.900 217 HD3 ARG 342 2HD ARG 342 0.327 21.108 6.170 218 HE ARG 342 HE ARG 342 1.492 20.295 8.692 219 HH11 ARG 342 1HH1 ARG 342 1.684 22.987 6.484 220 HH12 ARG 342 2HH1 ARG 342 2.039 24.065 7.820 221 HH21 ARG 342 1HH2 ARG 342 1.904 21.515 10.231 222 HH22 ARG 342 2HH2 ARG 342 2.165 23.227 9.958 223 H GLY 343 H GLY 343 1.439 16.986 2.252 224 HA2 GLY 343 1HA GLY 343 -0.867 17.295 0.584 225 HA3 GLY 343 2HA GLY 343 0.681 16.556 0.110 226 H MET 344 H MET 344 0.758 14.439 1.963 227 HA MET 344 HA MET 344 -0.917 12.491 0.640 228 HB2 MET 344 1HB MET 344 0.731 12.398 3.164 229 HB3 MET 344 2HB MET 344 -0.105 10.993 2.460 230 HG2 MET 344 1HG MET 344 2.072 12.625 1.115 231 HG3 MET 344 2HG MET 344 2.297 11.038 1.889 232 HE1 MET 344 3HE MET 344 2.016 12.759 -1.350 233 HE2 MET 344 1HE MET 344 0.777 11.914 -2.311 234 HE3 MET 344 2HE MET 344 0.292 12.954 -0.948 235 H LEU 345 H LEU 345 -1.131 14.171 3.754 236 HA LEU 345 HA LEU 345 -3.478 12.652 4.593 237 HB2 LEU 345 1HB LEU 345 -2.214 15.174 5.436 238 HB3 LEU 345 2HB LEU 345 -3.566 14.517 6.386 239 HG LEU 345 HG LEU 345 -0.843 13.227 5.966 240 HD11 LEU 345 1HD1 LEU 345 -0.595 13.579 8.438 241 HD12 LEU 345 2HD1 LEU 345 -0.826 15.123 7.584 242 HD13 LEU 345 3HD1 LEU 345 -2.183 14.382 8.466 243 HD21 LEU 345 3HD2 LEU 345 -2.596 11.554 6.045 244 HD22 LEU 345 1HD2 LEU 345 -1.634 11.495 7.541 245 HD23 LEU 345 2HD2 LEU 345 -3.242 12.259 7.545 246 H LYS 346 H LYS 346 -2.905 15.592 2.789 247 HA LYS 346 HA LYS 346 -5.641 16.519 2.802 248 HB2 LYS 346 1HB LYS 346 -3.725 17.891 2.117 249 HB3 LYS 346 2HB LYS 346 -3.476 16.824 0.714 250 HG2 LYS 346 1HG LYS 346 -5.639 17.476 -0.206 251 HG3 LYS 346 2HG LYS 346 -5.971 18.479 1.227 252 HD2 LYS 346 1HD LYS 346 -4.048 19.907 0.688 253 HD3 LYS 346 2HD LYS 346 -3.687 18.897 -0.732 254 HE2 LYS 346 1HE LYS 346 -5.889 19.464 -1.685 255 HE3 LYS 346 2HE LYS 346 -6.226 20.494 -0.275 256 HZ1 LYS 346 3HZ LYS 346 -4.035 20.900 -2.209 257 HZ2 LYS 346 1HZ LYS 346 -5.430 21.777 -2.144 258 HZ3 LYS 346 2HZ LYS 346 -4.348 21.855 -0.901 259 H ARG 347 H ARG 347 -3.834 14.337 0.650 260 HA ARG 347 HA ARG 347 -6.207 13.788 -0.979 261 HB2 ARG 347 1HB ARG 347 -3.545 12.442 -0.873 262 HB3 ARG 347 2HB ARG 347 -4.871 12.048 -1.993 263 HG2 ARG 347 1HG ARG 347 -3.624 14.800 -1.816 264 HG3 ARG 347 2HG ARG 347 -3.015 13.531 -2.907 265 HD2 ARG 347 1HD ARG 347 -5.146 13.455 -4.025 266 HD3 ARG 347 2HD ARG 347 -5.784 14.692 -2.917 267 HE ARG 347 HE ARG 347 -3.538 15.839 -4.355 268 HH11 ARG 347 1HH1 ARG 347 -6.779 14.723 -4.995 269 HH12 ARG 347 2HH1 ARG 347 -6.925 15.880 -6.304 270 HH21 ARG 347 1HH2 ARG 347 -3.687 17.162 -5.856 271 HH22 ARG 347 2HH2 ARG 347 -5.162 17.271 -6.796 272 H LEU 348 H LEU 348 -4.842 12.555 1.954 273 HA LEU 348 HA LEU 348 -6.228 10.031 1.995 274 HB2 LEU 348 1HB LEU 348 -4.405 10.830 3.374 275 HB3 LEU 348 2HB LEU 348 -5.500 11.782 4.404 276 HG LEU 348 HG LEU 348 -5.677 8.778 3.952 277 HD11 LEU 348 1HD1 LEU 348 -4.881 8.602 6.325 278 HD12 LEU 348 2HD1 LEU 348 -3.672 9.404 5.296 279 HD13 LEU 348 3HD1 LEU 348 -4.702 10.370 6.380 280 HD21 LEU 348 3HD2 LEU 348 -7.831 9.798 4.401 281 HD22 LEU 348 1HD2 LEU 348 -7.310 8.835 5.805 282 HD23 LEU 348 2HD2 LEU 348 -7.178 10.611 5.843 283 H LYS 349 H LYS 349 -7.096 13.174 3.468 284 HA LYS 349 HA LYS 349 -9.814 12.145 4.014 285 HB2 LYS 349 1HB LYS 349 -8.611 13.525 5.656 286 HB3 LYS 349 2HB LYS 349 -8.571 14.860 4.480 287 HG2 LYS 349 1HG LYS 349 -11.015 14.993 4.515 288 HG3 LYS 349 2HG LYS 349 -11.086 13.622 5.648 289 HD2 LYS 349 1HD LYS 349 -9.839 14.930 7.317 290 HD3 LYS 349 2HD LYS 349 -9.758 16.300 6.184 291 HE2 LYS 349 1HE LYS 349 -12.203 16.456 6.181 292 HE3 LYS 349 2HE LYS 349 -12.301 15.068 7.288 293 HZ1 LYS 349 3HZ LYS 349 -11.032 17.661 7.896 294 HZ2 LYS 349 1HZ LYS 349 -12.498 17.155 8.459 295 HZ3 LYS 349 2HZ LYS 349 -11.123 16.373 8.925 Start of MODEL 19 1 H GLU 315 1H GLU 315 3.434 5.222 -4.937 2 HA GLU 315 HA GLU 315 4.236 7.557 -3.494 3 HB2 GLU 315 1HB GLU 315 2.312 7.242 -5.804 4 HB3 GLU 315 2HB GLU 315 2.952 8.792 -5.205 5 HG2 GLU 315 1HG GLU 315 5.290 8.026 -5.846 6 HG3 GLU 315 2HG GLU 315 4.510 6.506 -6.339 7 H ASP 316 H ASP 316 1.137 5.891 -3.727 8 HA ASP 316 HA ASP 316 -0.215 8.001 -2.162 9 HB2 ASP 316 1HB ASP 316 -1.186 5.315 -3.301 10 HB3 ASP 316 2HB ASP 316 -2.018 6.384 -2.145 11 H VAL 317 H VAL 317 1.331 7.849 -0.387 12 HA VAL 317 HA VAL 317 1.317 5.473 1.326 13 HB VAL 317 HB VAL 317 2.143 8.359 1.848 14 HG11 VAL 317 1HG1 VAL 317 3.258 7.451 3.859 15 HG12 VAL 317 2HG1 VAL 317 1.499 7.198 3.934 16 HG13 VAL 317 3HG1 VAL 317 2.576 5.845 3.513 17 HG21 VAL 317 3HG2 VAL 317 3.513 7.272 0.172 18 HG22 VAL 317 1HG2 VAL 317 4.422 7.494 1.685 19 HG23 VAL 317 2HG2 VAL 317 3.781 5.889 1.260 20 H TRP 318 H TRP 318 -0.671 8.332 1.047 21 HA TRP 318 HA TRP 318 -1.855 8.318 3.623 22 HB2 TRP 318 1HB TRP 318 -3.723 9.510 2.582 23 HB3 TRP 318 2HB TRP 318 -2.197 10.092 1.875 24 HD1 TRP 318 HD1 TRP 318 -1.718 9.519 -0.527 25 HE1 TRP 318 HE1 TRP 318 -3.280 8.792 -2.610 26 HE3 TRP 318 HE3 TRP 318 -5.831 8.098 2.101 27 HZ2 TRP 318 HZ2 TRP 318 -5.838 7.787 -2.893 28 HZ3 TRP 318 HZ3 TRP 318 -7.787 7.276 0.943 29 HH2 TRP 318 HH2 TRP 318 -7.853 7.097 -1.508 30 H GLU 319 H GLU 319 -2.384 6.207 0.875 31 HA GLU 319 HA GLU 319 -4.786 4.950 1.822 32 HB2 GLU 319 1HB GLU 319 -2.496 3.953 0.128 33 HB3 GLU 319 2HB GLU 319 -3.971 3.013 0.457 34 HG2 GLU 319 1HG GLU 319 -5.332 4.821 -0.699 35 HG3 GLU 319 2HG GLU 319 -3.785 5.676 -0.888 36 H ILE 320 H ILE 320 -1.365 4.385 2.540 37 HA ILE 320 HA ILE 320 -1.942 2.191 4.400 38 HB ILE 320 HB ILE 320 0.490 3.996 4.026 39 HG12 ILE 320 1HG1 ILE 320 0.156 1.085 3.368 40 HG13 ILE 320 2HG1 ILE 320 -0.128 2.406 2.210 41 HG21 ILE 320 1HG2 ILE 320 1.667 2.395 5.496 42 HG22 ILE 320 2HG2 ILE 320 0.330 3.191 6.357 43 HG23 ILE 320 3HG2 ILE 320 0.141 1.523 5.769 44 HD11 ILE 320 3HD1 ILE 320 2.493 1.820 3.631 45 HD12 ILE 320 1HD1 ILE 320 2.126 1.448 1.932 46 HD13 ILE 320 2HD1 ILE 320 2.210 3.141 2.473 47 H LEU 321 H LEU 321 -1.678 5.685 4.635 48 HA LEU 321 HA LEU 321 -1.553 5.700 7.534 49 HB2 LEU 321 1HB LEU 321 -2.431 7.700 5.554 50 HB3 LEU 321 2HB LEU 321 -2.078 8.172 7.232 51 HG LEU 321 HG LEU 321 -0.135 7.235 5.093 52 HD11 LEU 321 1HD1 LEU 321 0.975 9.428 5.597 53 HD12 LEU 321 2HD1 LEU 321 -0.714 9.660 5.089 54 HD13 LEU 321 3HD1 LEU 321 -0.280 9.765 6.811 55 HD21 LEU 321 3HD2 LEU 321 0.415 6.101 7.164 56 HD22 LEU 321 1HD2 LEU 321 1.633 7.350 6.813 57 HD23 LEU 321 2HD2 LEU 321 0.386 7.644 8.050 58 H ARG 322 H ARG 322 -4.100 5.291 5.261 59 HA ARG 322 HA ARG 322 -6.332 6.289 6.671 60 HB2 ARG 322 1HB ARG 322 -6.481 5.461 4.446 61 HB3 ARG 322 2HB ARG 322 -6.161 3.808 5.020 62 HG2 ARG 322 1HG ARG 322 -8.244 3.839 6.308 63 HG3 ARG 322 2HG ARG 322 -8.560 5.507 5.772 64 HD2 ARG 322 1HD ARG 322 -8.732 4.739 3.487 65 HD3 ARG 322 2HD ARG 322 -8.418 3.072 4.024 66 HE ARG 322 HE ARG 322 -11.046 4.441 4.296 67 HH11 ARG 322 1HH1 ARG 322 -9.061 1.766 5.327 68 HH12 ARG 322 2HH1 ARG 322 -10.488 0.912 5.880 69 HH21 ARG 322 1HH2 ARG 322 -12.690 3.473 4.918 70 HH22 ARG 322 2HH2 ARG 322 -12.558 1.884 5.647 71 H GLN 323 H GLN 323 -4.527 3.287 7.178 72 HA GLN 323 HA GLN 323 -6.364 2.678 9.468 73 HB2 GLN 323 1HB GLN 323 -4.584 0.863 7.825 74 HB3 GLN 323 2HB GLN 323 -5.556 0.363 9.230 75 HG2 GLN 323 1HG GLN 323 -7.728 0.973 7.762 76 HG3 GLN 323 2HG GLN 323 -6.396 1.511 6.712 77 HE21 GLN 323 2HE2 GLN 323 -8.480 -0.319 5.997 78 HE22 GLN 323 1HE2 GLN 323 -7.739 -1.848 5.657 79 H ALA 324 H ALA 324 -3.897 4.438 9.300 80 HA ALA 324 HA ALA 324 -2.308 2.999 11.385 81 HB1 ALA 324 3HB ALA 324 -1.415 5.161 9.449 82 HB2 ALA 324 1HB ALA 324 -0.406 4.411 10.707 83 HB3 ALA 324 2HB ALA 324 -1.011 3.432 9.348 84 HA PRO 325 HA PRO 325 -3.382 6.134 14.334 85 HB2 PRO 325 1HB PRO 325 -0.537 5.747 15.294 86 HB3 PRO 325 2HB PRO 325 -2.043 5.574 16.207 87 HG2 PRO 325 1HG PRO 325 -0.667 3.394 15.503 88 HG3 PRO 325 2HG PRO 325 -2.433 3.380 15.419 89 HD2 PRO 325 1HD PRO 325 -0.426 3.729 13.145 90 HD3 PRO 325 2HD PRO 325 -1.898 2.751 13.179 91 HA PRO 326 HA PRO 326 -1.833 9.790 12.622 92 HB2 PRO 326 1HB PRO 326 -2.242 11.516 14.766 93 HB3 PRO 326 2HB PRO 326 -3.585 10.921 13.782 94 HG2 PRO 326 1HG PRO 326 -2.582 9.897 16.458 95 HG3 PRO 326 2HG PRO 326 -4.246 10.183 15.930 96 HD2 PRO 326 1HD PRO 326 -3.210 7.668 15.920 97 HD3 PRO 326 2HD PRO 326 -4.325 8.175 14.645 98 H SER 327 H SER 327 -0.483 8.437 15.510 99 HA SER 327 HA SER 327 1.819 10.257 15.714 100 HB2 SER 327 1HB SER 327 2.654 8.829 17.282 101 HB3 SER 327 2HB SER 327 0.918 9.075 17.575 102 HG SER 327 HG SER 327 2.172 6.810 16.424 103 H GLU 328 H GLU 328 0.914 7.639 13.637 104 HA GLU 328 HA GLU 328 3.766 6.930 13.087 105 HB2 GLU 328 1HB GLU 328 1.231 5.584 12.145 106 HB3 GLU 328 2HB GLU 328 2.900 4.985 11.986 107 HG2 GLU 328 1HG GLU 328 1.267 5.188 14.583 108 HG3 GLU 328 2HG GLU 328 1.855 3.778 13.672 109 H TYR 329 H TYR 329 1.566 9.103 12.022 110 HA TYR 329 HA TYR 329 1.518 8.706 9.189 111 HB2 TYR 329 1HB TYR 329 1.248 11.137 10.951 112 HB3 TYR 329 2HB TYR 329 1.151 11.227 9.176 113 HD1 TYR 329 HD1 TYR 329 -0.126 8.118 9.934 114 HD2 TYR 329 HD2 TYR 329 -1.168 12.238 10.290 115 HE1 TYR 329 HE1 TYR 329 -2.522 7.496 10.033 116 HE2 TYR 329 HE2 TYR 329 -3.562 11.635 10.390 117 HH TYR 329 HH TYR 329 -4.659 8.239 10.232 118 H GLU 330 H GLU 330 3.694 10.689 11.208 119 HA GLU 330 HA GLU 330 5.276 11.616 8.983 120 HB2 GLU 330 1HB GLU 330 5.837 11.360 11.938 121 HB3 GLU 330 2HB GLU 330 6.971 12.085 10.774 122 HG2 GLU 330 1HG GLU 330 5.281 13.887 10.268 123 HG3 GLU 330 2HG GLU 330 4.175 12.984 11.328 124 H ARG 331 H ARG 331 5.737 8.937 11.289 125 HA ARG 331 HA ARG 331 8.309 8.160 10.300 126 HB2 ARG 331 1HB ARG 331 7.512 7.491 12.443 127 HB3 ARG 331 2HB ARG 331 6.243 6.505 11.681 128 HG2 ARG 331 1HG ARG 331 8.009 5.129 10.605 129 HG3 ARG 331 2HG ARG 331 9.240 6.078 11.474 130 HD2 ARG 331 1HD ARG 331 8.881 3.987 12.558 131 HD3 ARG 331 2HD ARG 331 8.301 5.319 13.586 132 HE ARG 331 HE ARG 331 6.064 4.307 13.417 133 HH11 ARG 331 1HH1 ARG 331 8.125 2.948 10.954 134 HH12 ARG 331 2HH1 ARG 331 6.911 1.734 10.601 135 HH21 ARG 331 1HH2 ARG 331 4.661 2.929 13.018 136 HH22 ARG 331 2HH2 ARG 331 4.935 1.723 11.776 137 H ILE 332 H ILE 332 5.067 6.855 9.550 138 HA ILE 332 HA ILE 332 5.977 4.883 7.685 139 HB ILE 332 HB ILE 332 3.343 6.405 7.892 140 HG12 ILE 332 1HG1 ILE 332 3.988 3.554 8.581 141 HG13 ILE 332 2HG1 ILE 332 4.032 4.900 9.744 142 HG21 ILE 332 1HG2 ILE 332 2.423 4.687 6.371 143 HG22 ILE 332 2HG2 ILE 332 3.701 5.631 5.573 144 HG23 ILE 332 3HG2 ILE 332 4.048 3.993 6.173 145 HD11 ILE 332 3HD1 ILE 332 1.596 3.985 8.174 146 HD12 ILE 332 1HD1 ILE 332 1.906 3.663 9.895 147 HD13 ILE 332 2HD1 ILE 332 1.640 5.332 9.336 148 H ALA 333 H ALA 333 4.863 8.210 7.080 149 HA ALA 333 HA ALA 333 5.234 8.160 4.280 150 HB1 ALA 333 3HB ALA 333 5.624 10.476 6.206 151 HB2 ALA 333 1HB ALA 333 5.417 10.612 4.445 152 HB3 ALA 333 2HB ALA 333 4.089 9.987 5.451 153 H PHE 334 H PHE 334 7.555 8.969 6.858 154 HA PHE 334 HA PHE 334 9.688 9.719 5.084 155 HB2 PHE 334 1HB PHE 334 9.714 8.696 7.955 156 HB3 PHE 334 2HB PHE 334 11.139 9.332 7.101 157 HD1 PHE 334 HD1 PHE 334 8.934 11.343 5.691 158 HD2 PHE 334 HD2 PHE 334 10.379 10.475 9.616 159 HE1 PHE 334 HE1 PHE 334 8.345 13.633 6.411 160 HE2 PHE 334 HE2 PHE 334 9.791 12.765 10.341 161 HZ PHE 334 HZ PHE 334 8.775 14.344 8.737 162 H GLN 335 H GLN 335 8.645 6.612 6.376 163 HA GLN 335 HA GLN 335 10.997 5.152 5.564 164 HB2 GLN 335 1HB GLN 335 8.132 4.303 6.032 165 HB3 GLN 335 2HB GLN 335 9.473 3.178 5.711 166 HG2 GLN 335 1HG GLN 335 9.201 4.878 8.340 167 HG3 GLN 335 2HG GLN 335 8.993 3.183 7.843 168 HE21 GLN 335 2HE2 GLN 335 11.061 5.345 9.275 169 HE22 GLN 335 1HE2 GLN 335 12.565 4.524 9.015 170 H HIS 336 H HIS 336 8.241 6.352 3.846 171 HA HIS 336 HA HIS 336 8.881 4.608 1.510 172 HB2 HIS 336 1HB HIS 336 6.519 6.456 2.078 173 HB3 HIS 336 2HB HIS 336 6.750 5.539 0.569 174 HD2 HIS 336 HD2 HIS 336 4.812 5.082 3.816 175 HE1 HIS 336 HE1 HIS 336 5.761 1.198 2.380 176 H GLY 337 H GLY 337 9.989 7.404 2.732 177 HA2 GLY 337 1HA GLY 337 11.462 8.893 1.692 178 HA3 GLY 337 2HA GLY 337 11.020 8.205 0.113 179 H VAL 338 H VAL 338 8.465 9.157 2.252 180 HA VAL 338 HA VAL 338 7.900 11.549 0.510 181 HB VAL 338 HB VAL 338 6.038 9.920 2.289 182 HG11 VAL 338 1HG1 VAL 338 4.261 11.284 1.243 183 HG12 VAL 338 2HG1 VAL 338 5.414 12.307 2.133 184 HG13 VAL 338 3HG1 VAL 338 5.495 12.211 0.357 185 HG21 VAL 338 3HG2 VAL 338 6.706 8.660 0.330 186 HG22 VAL 338 1HG2 VAL 338 5.008 9.176 0.202 187 HG23 VAL 338 2HG2 VAL 338 6.268 10.028 -0.722 188 H THR 339 H THR 339 8.555 13.363 1.257 189 HA THR 339 HA THR 339 8.561 13.800 4.207 190 HB THR 339 HB THR 339 9.837 15.839 3.705 191 HG1 THR 339 HG1 THR 339 10.424 16.226 1.487 192 HG21 THR 339 1HG2 THR 339 11.867 14.797 2.760 193 HG22 THR 339 2HG2 THR 339 11.078 13.714 3.932 194 HG23 THR 339 3HG2 THR 339 10.895 13.422 2.187 195 H ASP 340 H ASP 340 6.760 14.567 1.372 196 HA ASP 340 HA ASP 340 5.392 16.854 2.648 197 HB2 ASP 340 1HB ASP 340 5.811 16.651 0.072 198 HB3 ASP 340 2HB ASP 340 4.665 15.301 0.253 199 H LEU 341 H LEU 341 4.829 15.574 4.560 200 HA LEU 341 HA LEU 341 2.865 13.470 4.376 201 HB2 LEU 341 1HB LEU 341 4.230 13.746 6.199 202 HB3 LEU 341 2HB LEU 341 3.634 15.355 6.669 203 HG LEU 341 HG LEU 341 1.386 14.344 7.079 204 HD11 LEU 341 1HD1 LEU 341 1.248 11.847 7.286 205 HD12 LEU 341 2HD1 LEU 341 1.656 12.337 5.625 206 HD13 LEU 341 3HD1 LEU 341 2.927 11.722 6.708 207 HD21 LEU 341 3HD2 LEU 341 2.908 14.745 8.922 208 HD22 LEU 341 1HD2 LEU 341 1.984 13.252 9.212 209 HD23 LEU 341 2HD2 LEU 341 3.678 13.161 8.670 210 H ARG 342 H ARG 342 2.625 16.987 4.706 211 HA ARG 342 HA ARG 342 -0.197 17.095 5.172 212 HB2 ARG 342 1HB ARG 342 1.709 19.058 4.002 213 HB3 ARG 342 2HB ARG 342 -0.033 19.370 4.178 214 HG2 ARG 342 1HG ARG 342 0.164 18.995 6.612 215 HG3 ARG 342 2HG ARG 342 1.915 18.737 6.418 216 HD2 ARG 342 1HD ARG 342 2.194 20.997 5.677 217 HD3 ARG 342 2HD ARG 342 0.438 21.267 5.768 218 HE ARG 342 HE ARG 342 1.393 20.607 8.430 219 HH11 ARG 342 1HH1 ARG 342 1.662 23.184 6.098 220 HH12 ARG 342 2HH1 ARG 342 1.860 24.345 7.395 221 HH21 ARG 342 1HH2 ARG 342 1.627 21.923 9.927 222 HH22 ARG 342 2HH2 ARG 342 1.842 23.627 9.579 223 H GLY 343 H GLY 343 1.682 16.907 2.175 224 HA2 GLY 343 1HA GLY 343 -0.499 17.094 0.359 225 HA3 GLY 343 2HA GLY 343 1.018 16.209 0.075 226 H MET 344 H MET 344 0.907 14.296 2.078 227 HA MET 344 HA MET 344 -0.946 12.360 0.987 228 HB2 MET 344 1HB MET 344 0.728 12.404 3.496 229 HB3 MET 344 2HB MET 344 -0.229 11.006 2.951 230 HG2 MET 344 1HG MET 344 2.064 12.298 1.439 231 HG3 MET 344 2HG MET 344 2.153 10.779 2.363 232 HE1 MET 344 3HE MET 344 2.054 12.159 -1.027 233 HE2 MET 344 1HE MET 344 0.729 11.363 -1.910 234 HE3 MET 344 2HE MET 344 0.363 12.591 -0.673 235 H LEU 345 H LEU 345 -1.079 14.603 3.674 236 HA LEU 345 HA LEU 345 -3.414 13.343 4.893 237 HB2 LEU 345 1HB LEU 345 -2.095 15.966 5.082 238 HB3 LEU 345 2HB LEU 345 -3.475 15.624 6.152 239 HG LEU 345 HG LEU 345 -0.810 14.152 6.107 240 HD11 LEU 345 1HD1 LEU 345 -0.529 15.136 8.398 241 HD12 LEU 345 2HD1 LEU 345 -0.691 16.407 7.165 242 HD13 LEU 345 3HD1 LEU 345 -2.076 15.993 8.203 243 HD21 LEU 345 3HD2 LEU 345 -2.641 12.646 6.616 244 HD22 LEU 345 1HD2 LEU 345 -1.673 12.940 8.079 245 HD23 LEU 345 2HD2 LEU 345 -3.242 13.754 7.872 246 H LYS 346 H LYS 346 -2.857 15.893 2.530 247 HA LYS 346 HA LYS 346 -5.646 16.675 2.338 248 HB2 LYS 346 1HB LYS 346 -3.283 16.903 0.477 249 HB3 LYS 346 2HB LYS 346 -4.907 17.512 0.076 250 HG2 LYS 346 1HG LYS 346 -4.830 19.027 2.004 251 HG3 LYS 346 2HG LYS 346 -3.223 18.401 2.443 252 HD2 LYS 346 1HD LYS 346 -2.341 19.191 0.268 253 HD3 LYS 346 2HD LYS 346 -3.945 19.857 -0.123 254 HE2 LYS 346 1HE LYS 346 -3.816 21.346 1.816 255 HE3 LYS 346 2HE LYS 346 -2.232 20.663 2.248 256 HZ1 LYS 346 3HZ LYS 346 -2.846 22.139 -0.233 257 HZ2 LYS 346 1HZ LYS 346 -2.014 22.738 1.058 258 HZ3 LYS 346 2HZ LYS 346 -1.376 21.506 0.166 259 H ARG 347 H ARG 347 -3.664 14.183 0.815 260 HA ARG 347 HA ARG 347 -5.880 13.276 -0.889 261 HB2 ARG 347 1HB ARG 347 -3.219 12.085 -0.261 262 HB3 ARG 347 2HB ARG 347 -4.451 11.330 -1.300 263 HG2 ARG 347 1HG ARG 347 -4.341 13.210 -2.847 264 HG3 ARG 347 2HG ARG 347 -3.175 14.039 -1.787 265 HD2 ARG 347 1HD ARG 347 -1.980 13.126 -3.578 266 HD3 ARG 347 2HD ARG 347 -1.636 12.123 -2.148 267 HE ARG 347 HE ARG 347 -2.529 10.258 -3.448 268 HH11 ARG 347 1HH1 ARG 347 -3.905 13.212 -4.692 269 HH12 ARG 347 2HH1 ARG 347 -4.677 12.315 -5.985 270 HH21 ARG 347 1HH2 ARG 347 -3.415 9.216 -4.918 271 HH22 ARG 347 2HH2 ARG 347 -4.400 10.036 -6.114 272 H LEU 348 H LEU 348 -4.665 12.617 2.318 273 HA LEU 348 HA LEU 348 -6.073 10.129 2.710 274 HB2 LEU 348 1HB LEU 348 -4.278 10.819 3.995 275 HB3 LEU 348 2HB LEU 348 -5.087 12.230 4.716 276 HG LEU 348 HG LEU 348 -6.756 10.666 5.744 277 HD11 LEU 348 1HD1 LEU 348 -6.137 8.237 5.871 278 HD12 LEU 348 2HD1 LEU 348 -6.408 8.749 4.189 279 HD13 LEU 348 3HD1 LEU 348 -4.749 8.552 4.803 280 HD21 LEU 348 3HD2 LEU 348 -4.913 11.546 7.049 281 HD22 LEU 348 1HD2 LEU 348 -5.258 9.871 7.541 282 HD23 LEU 348 2HD2 LEU 348 -3.855 10.223 6.503 283 H LYS 349 H LYS 349 -6.910 13.504 3.503 284 HA LYS 349 HA LYS 349 -9.623 12.640 4.317 285 HB2 LYS 349 1HB LYS 349 -8.396 14.349 5.592 286 HB3 LYS 349 2HB LYS 349 -8.367 15.383 4.144 287 HG2 LYS 349 1HG LYS 349 -10.809 15.534 4.174 288 HG3 LYS 349 2HG LYS 349 -10.872 14.451 5.585 289 HD2 LYS 349 1HD LYS 349 -9.607 16.092 6.910 290 HD3 LYS 349 2HD LYS 349 -9.529 17.174 5.499 291 HE2 LYS 349 1HE LYS 349 -11.971 17.346 5.479 292 HE3 LYS 349 2HE LYS 349 -12.072 16.233 6.863 293 HZ1 LYS 349 3HZ LYS 349 -10.781 18.886 6.885 294 HZ2 LYS 349 1HZ LYS 349 -12.247 18.528 7.550 295 HZ3 LYS 349 2HZ LYS 349 -10.873 17.856 8.169 Start of MODEL 20 1 H GLU 315 1H GLU 315 1.171 -0.922 -2.265 2 HA GLU 315 HA GLU 315 -0.050 0.529 -0.126 3 HB2 GLU 315 1HB GLU 315 2.776 -0.516 -0.360 4 HB3 GLU 315 2HB GLU 315 1.966 -0.004 1.141 5 HG2 GLU 315 1HG GLU 315 0.331 -1.917 0.883 6 HG3 GLU 315 2HG GLU 315 1.150 -2.245 -0.661 7 H ASP 316 H ASP 316 -0.307 2.597 -1.247 8 HA ASP 316 HA ASP 316 2.090 4.283 -1.479 9 HB2 ASP 316 1HB ASP 316 -0.352 4.424 -2.751 10 HB3 ASP 316 2HB ASP 316 -0.584 5.375 -1.263 11 H VAL 317 H VAL 317 1.992 6.505 -0.444 12 HA VAL 317 HA VAL 317 2.300 6.021 2.420 13 HB VAL 317 HB VAL 317 3.734 7.621 1.089 14 HG11 VAL 317 1HG1 VAL 317 2.806 9.865 0.628 15 HG12 VAL 317 2HG1 VAL 317 1.936 8.612 -0.288 16 HG13 VAL 317 3HG1 VAL 317 1.204 9.316 1.174 17 HG21 VAL 317 3HG2 VAL 317 3.661 7.706 3.509 18 HG22 VAL 317 1HG2 VAL 317 3.803 9.341 2.822 19 HG23 VAL 317 2HG2 VAL 317 2.237 8.772 3.448 20 H TRP 318 H TRP 318 -0.126 7.654 0.441 21 HA TRP 318 HA TRP 318 -1.645 8.427 2.853 22 HB2 TRP 318 1HB TRP 318 -3.289 9.304 1.200 23 HB3 TRP 318 2HB TRP 318 -1.652 9.928 0.891 24 HD1 TRP 318 HD1 TRP 318 -0.538 9.299 -1.232 25 HE1 TRP 318 HE1 TRP 318 -1.362 8.176 -3.549 26 HE3 TRP 318 HE3 TRP 318 -4.993 7.462 0.386 27 HZ2 TRP 318 HZ2 TRP 318 -3.592 6.765 -4.366 28 HZ3 TRP 318 HZ3 TRP 318 -6.434 6.255 -1.135 29 HH2 TRP 318 HH2 TRP 318 -5.801 5.877 -3.480 30 H GLU 319 H GLU 319 -1.506 5.790 0.600 31 HA GLU 319 HA GLU 319 -4.101 4.665 1.211 32 HB2 GLU 319 1HB GLU 319 -2.727 4.024 -0.728 33 HB3 GLU 319 2HB GLU 319 -1.530 3.311 0.378 34 HG2 GLU 319 1HG GLU 319 -3.316 1.652 1.144 35 HG3 GLU 319 2HG GLU 319 -4.378 2.493 -0.008 36 H ILE 320 H ILE 320 -0.873 4.254 2.642 37 HA ILE 320 HA ILE 320 -1.883 2.416 4.706 38 HB ILE 320 HB ILE 320 0.741 3.941 4.392 39 HG12 ILE 320 1HG1 ILE 320 0.173 1.000 4.155 40 HG13 ILE 320 2HG1 ILE 320 0.234 2.131 2.782 41 HG21 ILE 320 1HG2 ILE 320 1.564 2.538 6.254 42 HG22 ILE 320 2HG2 ILE 320 0.215 3.572 6.780 43 HG23 ILE 320 3HG2 ILE 320 -0.063 1.846 6.451 44 HD11 ILE 320 3HD1 ILE 320 2.518 1.529 4.693 45 HD12 ILE 320 1HD1 ILE 320 2.363 0.917 3.030 46 HD13 ILE 320 2HD1 ILE 320 2.579 2.660 3.321 47 H LEU 321 H LEU 321 -1.125 5.865 4.520 48 HA LEU 321 HA LEU 321 -1.465 6.497 7.254 49 HB2 LEU 321 1HB LEU 321 -1.576 7.743 4.703 50 HB3 LEU 321 2HB LEU 321 -2.604 8.658 5.830 51 HG LEU 321 HG LEU 321 -0.793 9.239 7.209 52 HD11 LEU 321 1HD1 LEU 321 1.474 8.183 7.010 53 HD12 LEU 321 2HD1 LEU 321 0.223 6.966 7.349 54 HD13 LEU 321 3HD1 LEU 321 0.861 7.149 5.698 55 HD21 LEU 321 3HD2 LEU 321 -0.767 10.475 5.124 56 HD22 LEU 321 1HD2 LEU 321 0.897 10.230 5.706 57 HD23 LEU 321 2HD2 LEU 321 0.266 9.238 4.369 58 H ARG 322 H ARG 322 -3.860 5.736 4.810 59 HA ARG 322 HA ARG 322 -6.204 6.621 6.127 60 HB2 ARG 322 1HB ARG 322 -6.261 5.815 3.908 61 HB3 ARG 322 2HB ARG 322 -5.795 4.186 4.449 62 HG2 ARG 322 1HG ARG 322 -7.898 3.999 5.705 63 HG3 ARG 322 2HG ARG 322 -8.363 5.633 5.171 64 HD2 ARG 322 1HD ARG 322 -8.427 4.878 2.885 65 HD3 ARG 322 2HD ARG 322 -7.926 3.249 3.399 66 HE ARG 322 HE ARG 322 -10.700 4.298 3.656 67 HH11 ARG 322 1HH1 ARG 322 -8.429 1.846 4.653 68 HH12 ARG 322 2HH1 ARG 322 -9.754 0.819 5.164 69 HH21 ARG 322 1HH2 ARG 322 -12.227 3.129 4.228 70 HH22 ARG 322 2HH2 ARG 322 -11.921 1.549 4.921 71 H GLN 323 H GLN 323 -4.327 3.644 6.628 72 HA GLN 323 HA GLN 323 -6.259 2.888 8.781 73 HB2 GLN 323 1HB GLN 323 -4.137 1.271 7.354 74 HB3 GLN 323 2HB GLN 323 -5.244 0.665 8.608 75 HG2 GLN 323 1HG GLN 323 -7.234 1.200 6.827 76 HG3 GLN 323 2HG GLN 323 -5.764 1.715 5.968 77 HE21 GLN 323 2HE2 GLN 323 -7.367 -0.043 4.713 78 HE22 GLN 323 1HE2 GLN 323 -6.672 -1.629 4.707 79 H ALA 324 H ALA 324 -3.159 4.179 8.282 80 HA ALA 324 HA ALA 324 -2.005 3.062 10.737 81 HB1 ALA 324 3HB ALA 324 -1.013 5.246 8.874 82 HB2 ALA 324 1HB ALA 324 -0.087 4.515 10.205 83 HB3 ALA 324 2HB ALA 324 -0.565 3.526 8.805 84 HA PRO 325 HA PRO 325 -3.280 6.341 13.430 85 HB2 PRO 325 1HB PRO 325 -1.364 6.131 15.376 86 HB3 PRO 325 2HB PRO 325 -2.568 4.850 15.186 87 HG2 PRO 325 1HG PRO 325 0.294 4.943 14.175 88 HG3 PRO 325 2HG PRO 325 -0.558 3.616 14.977 89 HD2 PRO 325 1HD PRO 325 -0.268 3.724 12.236 90 HD3 PRO 325 2HD PRO 325 -1.667 2.958 12.996 91 HA PRO 326 HA PRO 326 -1.252 9.927 12.072 92 HB2 PRO 326 1HB PRO 326 -1.965 10.964 14.847 93 HB3 PRO 326 2HB PRO 326 -2.315 11.692 13.274 94 HG2 PRO 326 1HG PRO 326 -4.277 10.491 14.619 95 HG3 PRO 326 2HG PRO 326 -4.162 10.262 12.869 96 HD2 PRO 326 1HD PRO 326 -3.353 8.351 15.095 97 HD3 PRO 326 2HD PRO 326 -4.127 7.987 13.548 98 H SER 327 H SER 327 -0.497 8.441 15.158 99 HA SER 327 HA SER 327 1.814 10.070 15.828 100 HB2 SER 327 1HB SER 327 2.307 8.516 17.424 101 HB3 SER 327 2HB SER 327 0.555 8.820 17.409 102 HG SER 327 HG SER 327 1.070 6.595 17.591 103 H GLU 328 H GLU 328 1.251 7.486 13.551 104 HA GLU 328 HA GLU 328 4.215 7.111 13.235 105 HB2 GLU 328 1HB GLU 328 1.953 5.172 12.727 106 HB3 GLU 328 2HB GLU 328 3.669 4.887 12.343 107 HG2 GLU 328 1HG GLU 328 4.177 5.070 14.853 108 HG3 GLU 328 2HG GLU 328 2.422 5.299 15.028 109 H TYR 329 H TYR 329 2.230 9.040 11.986 110 HA TYR 329 HA TYR 329 2.172 8.338 9.169 111 HB2 TYR 329 1HB TYR 329 1.842 10.866 10.759 112 HB3 TYR 329 2HB TYR 329 1.965 10.908 8.983 113 HD1 TYR 329 HD1 TYR 329 0.472 7.869 9.838 114 HD2 TYR 329 HD2 TYR 329 -0.418 12.033 9.599 115 HE1 TYR 329 HE1 TYR 329 -1.941 7.336 9.658 116 HE2 TYR 329 HE2 TYR 329 -2.828 11.519 9.419 117 HH TYR 329 HH TYR 329 -4.047 8.367 8.841 118 H GLU 330 H GLU 330 4.531 9.828 11.290 119 HA GLU 330 HA GLU 330 6.254 10.763 9.135 120 HB2 GLU 330 1HB GLU 330 6.739 10.190 12.061 121 HB3 GLU 330 2HB GLU 330 7.959 10.867 10.954 122 HG2 GLU 330 1HG GLU 330 6.512 12.905 10.625 123 HG3 GLU 330 2HG GLU 330 5.299 12.061 11.614 124 H ARG 331 H ARG 331 5.924 7.768 10.955 125 HA ARG 331 HA ARG 331 8.456 6.661 10.040 126 HB2 ARG 331 1HB ARG 331 6.072 5.436 11.340 127 HB3 ARG 331 2HB ARG 331 7.502 4.517 10.816 128 HG2 ARG 331 1HG ARG 331 8.916 5.873 12.304 129 HG3 ARG 331 2HG ARG 331 7.481 6.787 12.830 130 HD2 ARG 331 1HD ARG 331 6.552 4.822 13.823 131 HD3 ARG 331 2HD ARG 331 7.907 3.842 13.217 132 HE ARG 331 HE ARG 331 8.996 5.843 15.007 133 HH11 ARG 331 1HH1 ARG 331 6.923 3.044 15.170 134 HH12 ARG 331 2HH1 ARG 331 7.461 2.735 16.809 135 HH21 ARG 331 1HH2 ARG 331 9.616 5.506 16.885 136 HH22 ARG 331 2HH2 ARG 331 8.997 4.138 17.788 137 H ILE 332 H ILE 332 5.123 6.569 8.887 138 HA ILE 332 HA ILE 332 5.744 4.665 6.733 139 HB ILE 332 HB ILE 332 3.372 6.539 7.168 140 HG12 ILE 332 1HG1 ILE 332 3.502 4.930 8.902 141 HG13 ILE 332 2HG1 ILE 332 2.166 4.530 7.796 142 HG21 ILE 332 1HG2 ILE 332 2.251 5.158 5.452 143 HG22 ILE 332 2HG2 ILE 332 3.692 5.961 4.786 144 HG23 ILE 332 3HG2 ILE 332 3.754 4.234 5.212 145 HD11 ILE 332 3HD1 ILE 332 4.893 3.189 7.849 146 HD12 ILE 332 1HD1 ILE 332 3.383 2.502 8.491 147 HD13 ILE 332 2HD1 ILE 332 3.558 2.790 6.743 148 H ALA 333 H ALA 333 5.291 8.181 6.943 149 HA ALA 333 HA ALA 333 5.693 8.672 4.167 150 HB1 ALA 333 3HB ALA 333 6.332 10.443 6.551 151 HB2 ALA 333 1HB ALA 333 6.214 10.980 4.859 152 HB3 ALA 333 2HB ALA 333 4.773 10.355 5.696 153 H PHE 334 H PHE 334 7.973 8.270 6.835 154 HA PHE 334 HA PHE 334 10.356 9.085 5.545 155 HB2 PHE 334 1HB PHE 334 10.309 8.483 7.924 156 HB3 PHE 334 2HB PHE 334 9.918 6.798 7.513 157 HD1 PHE 334 HD1 PHE 334 12.525 9.412 7.277 158 HD2 PHE 334 HD2 PHE 334 11.581 5.256 6.982 159 HE1 PHE 334 HE1 PHE 334 14.936 8.871 7.205 160 HE2 PHE 334 HE2 PHE 334 13.992 4.711 6.912 161 HZ PHE 334 HZ PHE 334 15.669 6.520 7.021 162 H GLN 335 H GLN 335 8.647 5.975 5.363 163 HA GLN 335 HA GLN 335 10.760 4.681 3.863 164 HB2 GLN 335 1HB GLN 335 7.827 4.052 4.237 165 HB3 GLN 335 2HB GLN 335 8.972 3.003 3.368 166 HG2 GLN 335 1HG GLN 335 10.291 2.795 5.733 167 HG3 GLN 335 2HG GLN 335 8.957 3.909 6.111 168 HE21 GLN 335 2HE2 GLN 335 9.382 1.589 7.574 169 HE22 GLN 335 1HE2 GLN 335 8.090 0.475 7.271 170 H HIS 336 H HIS 336 8.081 6.720 3.000 171 HA HIS 336 HA HIS 336 8.318 5.925 0.138 172 HB2 HIS 336 1HB HIS 336 6.317 7.681 1.629 173 HB3 HIS 336 2HB HIS 336 6.316 7.442 -0.135 174 HD2 HIS 336 HD2 HIS 336 5.067 5.021 -1.011 175 HE1 HIS 336 HE1 HIS 336 4.340 3.601 2.926 176 H GLY 337 H GLY 337 9.684 8.118 2.255 177 HA2 GLY 337 1HA GLY 337 11.228 9.797 1.775 178 HA3 GLY 337 2HA GLY 337 10.887 9.588 0.042 179 H VAL 338 H VAL 338 8.304 10.084 2.350 180 HA VAL 338 HA VAL 338 7.658 12.683 1.001 181 HB VAL 338 HB VAL 338 5.991 10.884 2.809 182 HG11 VAL 338 1HG1 VAL 338 4.123 12.362 2.151 183 HG12 VAL 338 2HG1 VAL 338 5.389 13.274 3.005 184 HG13 VAL 338 3HG1 VAL 338 5.254 13.384 1.234 185 HG21 VAL 338 3HG2 VAL 338 6.400 9.859 0.652 186 HG22 VAL 338 1HG2 VAL 338 4.707 10.388 0.791 187 HG23 VAL 338 2HG2 VAL 338 5.860 11.340 -0.175 188 H THR 339 H THR 339 7.798 14.560 1.876 189 HA THR 339 HA THR 339 8.504 14.652 4.792 190 HB THR 339 HB THR 339 9.797 16.696 4.274 191 HG1 THR 339 HG1 THR 339 10.152 17.180 2.026 192 HG21 THR 339 1HG2 THR 339 11.659 15.623 3.054 193 HG22 THR 339 2HG2 THR 339 10.953 14.511 4.252 194 HG23 THR 339 3HG2 THR 339 10.564 14.324 2.526 195 H ASP 340 H ASP 340 5.978 15.112 2.876 196 HA ASP 340 HA ASP 340 5.050 17.497 4.434 197 HB2 ASP 340 1HB ASP 340 5.636 18.104 1.970 198 HB3 ASP 340 2HB ASP 340 4.420 16.848 1.626 199 H LEU 341 H LEU 341 3.930 16.290 5.888 200 HA LEU 341 HA LEU 341 2.070 14.212 5.021 201 HB2 LEU 341 1HB LEU 341 2.597 15.693 7.504 202 HB3 LEU 341 2HB LEU 341 1.328 14.448 7.526 203 HG LEU 341 HG LEU 341 4.287 14.008 6.965 204 HD11 LEU 341 1HD1 LEU 341 4.230 12.712 9.112 205 HD12 LEU 341 2HD1 LEU 341 3.771 14.412 9.370 206 HD13 LEU 341 3HD1 LEU 341 2.517 13.150 9.313 207 HD21 LEU 341 3HD2 LEU 341 2.909 12.516 5.641 208 HD22 LEU 341 1HD2 LEU 341 3.721 11.604 6.935 209 HD23 LEU 341 2HD2 LEU 341 1.998 12.026 7.089 210 H ARG 342 H ARG 342 1.918 17.645 5.479 211 HA ARG 342 HA ARG 342 -0.973 17.816 5.693 212 HB2 ARG 342 1HB ARG 342 1.104 19.817 4.939 213 HB3 ARG 342 2HB ARG 342 -0.643 20.155 4.988 214 HG2 ARG 342 1HG ARG 342 -0.708 19.628 7.366 215 HG3 ARG 342 2HG ARG 342 1.016 19.189 7.338 216 HD2 ARG 342 1HD ARG 342 1.586 21.476 6.790 217 HD3 ARG 342 2HD ARG 342 -0.139 21.912 6.830 218 HE ARG 342 HE ARG 342 0.515 20.922 9.450 219 HH11 ARG 342 1HH1 ARG 342 1.506 23.569 7.409 220 HH12 ARG 342 2HH1 ARG 342 1.824 24.551 8.826 221 HH21 ARG 342 1HH2 ARG 342 0.882 22.031 11.083 222 HH22 ARG 342 2HH2 ARG 342 1.470 23.675 10.921 223 H GLY 343 H GLY 343 1.317 17.858 2.988 224 HA2 GLY 343 1HA GLY 343 -0.655 18.289 0.945 225 HA3 GLY 343 2HA GLY 343 0.946 17.545 0.725 226 H MET 344 H MET 344 0.579 15.395 2.589 227 HA MET 344 HA MET 344 -0.987 13.537 0.968 228 HB2 MET 344 1HB MET 344 0.361 13.280 3.654 229 HB3 MET 344 2HB MET 344 -0.429 11.945 2.781 230 HG2 MET 344 1HG MET 344 1.993 13.531 1.873 231 HG3 MET 344 2HG MET 344 1.989 11.855 2.472 232 HE1 MET 344 3HE MET 344 2.418 13.864 -0.538 233 HE2 MET 344 1HE MET 344 1.262 13.296 -1.766 234 HE3 MET 344 2HE MET 344 0.689 14.264 -0.386 235 H LEU 345 H LEU 345 -1.510 15.379 3.908 236 HA LEU 345 HA LEU 345 -3.912 14.047 4.744 237 HB2 LEU 345 1HB LEU 345 -2.664 15.480 6.072 238 HB3 LEU 345 2HB LEU 345 -2.999 16.951 5.130 239 HG LEU 345 HG LEU 345 -5.433 16.650 5.647 240 HD11 LEU 345 1HD1 LEU 345 -6.029 15.127 7.551 241 HD12 LEU 345 2HD1 LEU 345 -5.356 14.215 6.181 242 HD13 LEU 345 3HD1 LEU 345 -4.344 14.559 7.604 243 HD21 LEU 345 3HD2 LEU 345 -4.084 18.230 6.897 244 HD22 LEU 345 1HD2 LEU 345 -5.282 17.471 7.972 245 HD23 LEU 345 2HD2 LEU 345 -3.580 16.951 8.027 246 H LYS 346 H LYS 346 -3.318 16.638 2.406 247 HA LYS 346 HA LYS 346 -6.061 17.132 1.738 248 HB2 LYS 346 1HB LYS 346 -3.524 17.266 0.105 249 HB3 LYS 346 2HB LYS 346 -5.116 17.806 -0.478 250 HG2 LYS 346 1HG LYS 346 -5.219 19.485 1.304 251 HG3 LYS 346 2HG LYS 346 -3.653 18.927 1.936 252 HD2 LYS 346 1HD LYS 346 -2.585 19.541 -0.210 253 HD3 LYS 346 2HD LYS 346 -4.153 20.137 -0.805 254 HE2 LYS 346 1HE LYS 346 -4.222 21.795 0.997 255 HE3 LYS 346 2HE LYS 346 -2.675 21.186 1.629 256 HZ1 LYS 346 3HZ LYS 346 -3.078 22.421 -1.020 257 HZ2 LYS 346 1HZ LYS 346 -2.374 23.151 0.281 258 HZ3 LYS 346 2HZ LYS 346 -1.643 21.858 -0.434 259 H ARG 347 H ARG 347 -3.805 14.609 0.736 260 HA ARG 347 HA ARG 347 -5.677 13.437 -1.178 261 HB2 ARG 347 1HB ARG 347 -3.198 12.358 0.083 262 HB3 ARG 347 2HB ARG 347 -4.197 11.505 -1.116 263 HG2 ARG 347 1HG ARG 347 -3.780 13.331 -2.731 264 HG3 ARG 347 2HG ARG 347 -2.732 14.129 -1.534 265 HD2 ARG 347 1HD ARG 347 -1.245 12.209 -1.582 266 HD3 ARG 347 2HD ARG 347 -2.283 11.449 -2.811 267 HE ARG 347 HE ARG 347 -0.325 13.605 -3.393 268 HH11 ARG 347 1HH1 ARG 347 -3.154 11.910 -4.525 269 HH12 ARG 347 2HH1 ARG 347 -2.827 12.446 -6.162 270 HH21 ARG 347 1HH2 ARG 347 0.067 14.219 -5.263 271 HH22 ARG 347 2HH2 ARG 347 -0.990 13.763 -6.584 272 H LEU 348 H LEU 348 -5.049 13.128 2.254 273 HA LEU 348 HA LEU 348 -6.667 10.720 2.563 274 HB2 LEU 348 1HB LEU 348 -5.680 12.833 4.357 275 HB3 LEU 348 2HB LEU 348 -6.546 11.447 5.058 276 HG LEU 348 HG LEU 348 -3.917 11.343 3.527 277 HD11 LEU 348 1HD1 LEU 348 -2.954 10.651 5.739 278 HD12 LEU 348 2HD1 LEU 348 -3.687 12.270 5.831 279 HD13 LEU 348 3HD1 LEU 348 -4.556 10.861 6.484 280 HD21 LEU 348 3HD2 LEU 348 -5.264 9.369 3.121 281 HD22 LEU 348 1HD2 LEU 348 -3.880 8.955 4.159 282 HD23 LEU 348 2HD2 LEU 348 -5.502 9.135 4.869 283 H LYS 349 H LYS 349 -7.271 14.163 2.537 284 HA LYS 349 HA LYS 349 -10.045 13.762 3.512 285 HB2 LYS 349 1HB LYS 349 -8.469 16.197 2.675 286 HB3 LYS 349 2HB LYS 349 -10.185 16.230 3.148 287 HG2 LYS 349 1HG LYS 349 -9.587 15.387 5.382 288 HG3 LYS 349 2HG LYS 349 -7.872 15.349 4.910 289 HD2 LYS 349 1HD LYS 349 -7.881 17.770 4.578 290 HD3 LYS 349 2HD LYS 349 -9.617 17.834 4.965 291 HE2 LYS 349 1HE LYS 349 -9.147 16.991 7.225 292 HE3 LYS 349 2HE LYS 349 -7.412 16.926 6.841 293 HZ1 LYS 349 3HZ LYS 349 -9.066 19.369 6.888 294 HZ2 LYS 349 1HZ LYS 349 -7.981 18.923 8.047 295 HZ3 LYS 349 2HZ LYS 349 -7.457 19.308 6.531
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