NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16612 | 2agh | 6095 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 291 H1 LYS 291 8.554 1.108 -1.341 2 2H LYS 291 H2 LYS 291 7.586 1.174 -2.666 3 3H LYS 291 H3 LYS 291 8.639 2.393 -2.356 4 HA LYS 291 HA LYS 291 6.399 3.083 -1.791 5 1HB LYS 291 HB2 LYS 291 6.528 1.021 0.424 6 2HB LYS 291 HB3 LYS 291 5.218 2.121 0.070 7 1HG LYS 291 HG2 LYS 291 6.073 -0.216 -1.692 8 2HG LYS 291 HG3 LYS 291 4.704 -0.203 -0.606 9 1HD LYS 291 HD2 LYS 291 4.991 1.666 -3.008 10 2HD LYS 291 HD3 LYS 291 4.145 0.132 -3.051 11 1HE LYS 291 HE2 LYS 291 3.382 2.418 -1.174 12 2HE LYS 291 HE3 LYS 291 2.693 2.189 -2.781 13 1HZ LYS 291 HZ1 LYS 291 1.854 0.032 -2.087 14 2HZ LYS 291 HZ2 LYS 291 2.498 0.193 -0.590 15 3HZ LYS 291 HZ3 LYS 291 1.292 1.186 -1.072 16 H GLU 292 H GLU 292 7.020 5.013 -1.047 17 HA GLU 292 HA GLU 292 8.137 5.186 1.662 18 1HB GLU 292 HB2 GLU 292 10.012 6.717 0.864 19 2HB GLU 292 HB3 GLU 292 10.240 4.995 0.678 20 1HG GLU 292 HG2 GLU 292 9.192 6.572 -1.687 21 2HG GLU 292 HG3 GLU 292 10.880 6.715 -1.234 22 H LYS 293 H LYS 293 7.377 7.198 -1.264 23 HA LYS 293 HA LYS 293 6.881 9.606 0.117 24 1HB LYS 293 HB2 LYS 293 7.124 9.425 -2.328 25 2HB LYS 293 HB3 LYS 293 5.614 8.528 -2.443 26 1HG LYS 293 HG2 LYS 293 5.297 10.823 -3.146 27 2HG LYS 293 HG3 LYS 293 4.342 10.509 -1.699 28 1HD LYS 293 HD2 LYS 293 6.015 11.696 -0.310 29 2HD LYS 293 HD3 LYS 293 7.048 11.928 -1.741 30 1HE LYS 293 HE2 LYS 293 5.218 13.223 -2.827 31 2HE LYS 293 HE3 LYS 293 4.207 12.997 -1.395 32 1HZ LYS 293 HZ1 LYS 293 5.333 15.149 -1.358 33 2HZ LYS 293 HZ2 LYS 293 5.868 14.243 -0.111 34 3HZ LYS 293 HZ3 LYS 293 6.803 14.448 -1.437 35 H ARG 294 H ARG 294 4.384 7.187 -0.799 36 HA ARG 294 HA ARG 294 2.324 8.488 0.704 37 1HB ARG 294 HB2 ARG 294 0.891 6.777 0.099 38 2HB ARG 294 HB3 ARG 294 2.032 6.891 -1.216 39 1HG ARG 294 HG2 ARG 294 1.964 4.614 -0.972 40 2HG ARG 294 HG3 ARG 294 3.338 5.029 0.054 41 1HD ARG 294 HD2 ARG 294 1.988 3.336 1.136 42 2HD ARG 294 HD3 ARG 294 1.848 4.794 2.085 43 HE ARG 294 HE ARG 294 -0.212 3.471 0.421 44 1HH1 ARG 294 HH12 ARG 294 0.392 6.300 2.494 45 2HH1 ARG 294 HH11 ARG 294 -1.316 6.613 2.618 46 1HH2 ARG 294 HH21 ARG 294 -2.269 3.958 0.659 47 2HH2 ARG 294 HH22 ARG 294 -2.800 5.339 1.613 48 H ILE 295 H ILE 295 4.869 6.467 1.822 49 HA ILE 295 HA ILE 295 3.567 5.557 4.291 50 HB ILE 295 HB ILE 295 6.510 5.660 3.509 51 1HG1 ILE 295 HG12 ILE 295 5.318 4.234 1.974 52 2HG1 ILE 295 HG13 ILE 295 6.418 3.329 2.979 53 1HG2 ILE 295 HG21 ILE 295 6.612 3.829 5.359 54 2HG2 ILE 295 HG22 ILE 295 6.613 5.542 5.790 55 3HG2 ILE 295 HG23 ILE 295 5.119 4.624 5.942 56 1HD1 ILE 295 HD11 ILE 295 4.629 2.274 4.142 57 2HD1 ILE 295 HD12 ILE 295 3.420 3.431 3.520 58 3HD1 ILE 295 HD13 ILE 295 4.194 2.260 2.435 59 H LYS 296 H LYS 296 6.093 7.989 3.480 60 HA LYS 296 HA LYS 296 6.076 9.302 6.040 61 1HB LYS 296 HB2 LYS 296 7.868 9.447 4.298 62 2HB LYS 296 HB3 LYS 296 6.790 10.424 3.289 63 1HG LYS 296 HG2 LYS 296 6.726 12.181 5.024 64 2HG LYS 296 HG3 LYS 296 7.694 11.165 6.114 65 1HD LYS 296 HD2 LYS 296 9.577 11.220 4.501 66 2HD LYS 296 HD3 LYS 296 8.610 12.229 3.402 67 1HE LYS 296 HE2 LYS 296 8.449 13.981 5.156 68 2HE LYS 296 HE3 LYS 296 9.396 12.974 6.258 69 1HZ LYS 296 HZ1 LYS 296 11.258 13.121 4.693 70 2HZ LYS 296 HZ2 LYS 296 10.385 14.046 3.667 71 3HZ LYS 296 HZ3 LYS 296 10.792 14.619 5.139 72 H GLU 297 H GLU 297 4.190 9.892 3.070 73 HA GLU 297 HA GLU 297 2.663 12.112 3.891 74 1HB GLU 297 HB2 GLU 297 2.705 11.052 1.617 75 2HB GLU 297 HB3 GLU 297 1.762 9.716 2.268 76 1HG GLU 297 HG2 GLU 297 -0.096 11.285 2.783 77 2HG GLU 297 HG3 GLU 297 0.887 12.606 2.139 78 H LEU 298 H LEU 298 1.782 8.615 4.357 79 HA LEU 298 HA LEU 298 -0.554 9.044 5.913 80 1HB LEU 298 HB2 LEU 298 -0.049 6.987 4.846 81 2HB LEU 298 HB3 LEU 298 1.424 6.742 5.766 82 HG LEU 298 HG LEU 298 -1.232 6.962 7.227 83 1HD1 LEU 298 HD11 LEU 298 -1.596 5.381 5.414 84 2HD1 LEU 298 HD12 LEU 298 -0.139 4.466 5.875 85 3HD1 LEU 298 HD13 LEU 298 -1.547 4.543 6.968 86 1HD2 LEU 298 HD21 LEU 298 1.402 5.500 7.740 87 2HD2 LEU 298 HD22 LEU 298 0.681 6.788 8.722 88 3HD2 LEU 298 HD23 LEU 298 -0.067 5.210 8.686 89 H GLU 299 H GLU 299 2.828 8.543 6.997 90 HA GLU 299 HA GLU 299 2.276 8.622 9.787 91 1HB GLU 299 HB2 GLU 299 4.329 7.720 8.663 92 2HB GLU 299 HB3 GLU 299 4.834 9.378 8.304 93 1HG GLU 299 HG2 GLU 299 4.961 9.901 10.696 94 2HG GLU 299 HG3 GLU 299 4.330 8.303 11.113 95 H LEU 300 H LEU 300 3.170 11.265 7.536 96 HA LEU 300 HA LEU 300 3.168 13.362 9.506 97 1HB LEU 300 HB2 LEU 300 4.396 13.438 7.371 98 2HB LEU 300 HB3 LEU 300 2.879 13.375 6.475 99 HG LEU 300 HG LEU 300 2.241 15.599 7.354 100 1HD1 LEU 300 HD11 LEU 300 4.993 15.556 8.675 101 2HD1 LEU 300 HD12 LEU 300 3.952 16.989 8.512 102 3HD1 LEU 300 HD13 LEU 300 3.423 15.633 9.510 103 1HD2 LEU 300 HD21 LEU 300 5.026 15.510 6.126 104 2HD2 LEU 300 HD22 LEU 300 3.489 15.393 5.240 105 3HD2 LEU 300 HD23 LEU 300 3.904 16.890 6.091 106 H LEU 301 H LEU 301 0.631 12.126 7.294 107 HA LEU 301 HA LEU 301 -1.173 14.190 7.332 108 1HB LEU 301 HB2 LEU 301 -1.374 11.224 6.992 109 2HB LEU 301 HB3 LEU 301 -2.886 12.021 7.352 110 HG LEU 301 HG LEU 301 -1.102 12.871 5.038 111 1HD1 LEU 301 HD11 LEU 301 -3.571 11.068 5.084 112 2HD1 LEU 301 HD12 LEU 301 -2.746 11.665 3.626 113 3HD1 LEU 301 HD13 LEU 301 -1.909 10.558 4.721 114 1HD2 LEU 301 HD21 LEU 301 -3.156 13.976 4.234 115 2HD2 LEU 301 HD22 LEU 301 -4.022 13.467 5.697 116 3HD2 LEU 301 HD23 LEU 301 -2.681 14.628 5.804 117 H LEU 302 H LEU 302 -0.935 11.730 9.895 118 HA LEU 302 HA LEU 302 -3.156 12.881 11.439 119 1HB LEU 302 HB2 LEU 302 -1.021 10.793 12.016 120 2HB LEU 302 HB3 LEU 302 -2.213 11.283 13.223 121 HG LEU 302 HG LEU 302 -2.991 10.143 10.521 122 1HD1 LEU 302 HD11 LEU 302 -2.786 8.818 13.255 123 2HD1 LEU 302 HD12 LEU 302 -3.409 8.087 11.752 124 3HD1 LEU 302 HD13 LEU 302 -1.707 8.541 11.855 125 1HD2 LEU 302 HD21 LEU 302 -4.798 11.465 11.649 126 2HD2 LEU 302 HD22 LEU 302 -5.160 9.735 11.618 127 3HD2 LEU 302 HD23 LEU 302 -4.573 10.486 13.114 128 H MET 303 H MET 303 0.414 12.780 11.904 129 HA MET 303 HA MET 303 0.326 14.304 14.292 130 1HB MET 303 HB2 MET 303 2.596 13.611 12.407 131 2HB MET 303 HB3 MET 303 2.828 14.534 13.903 132 1HG MET 303 HG2 MET 303 1.667 12.730 15.171 133 2HG MET 303 HG3 MET 303 1.643 11.738 13.714 134 1HE MET 303 HE1 MET 303 4.390 11.981 12.349 135 2HE MET 303 HE2 MET 303 5.357 10.762 13.208 136 3HE MET 303 HE3 MET 303 3.664 10.418 12.792 137 H SER 304 H SER 304 0.274 15.527 11.004 138 HA SER 304 HA SER 304 1.128 18.214 11.666 139 1HB SER 304 HB2 SER 304 0.224 18.831 9.507 140 2HB SER 304 HB3 SER 304 1.179 17.342 9.373 141 HG SER 304 HG SER 304 -0.833 17.226 8.247 142 H THR 305 H THR 305 -1.902 16.546 12.251 143 HA THR 305 HA THR 305 -3.733 18.618 11.872 144 HB THR 305 HB THR 305 -4.033 16.644 14.146 145 HG1 THR 305 HG1 THR 305 -3.538 15.387 12.457 146 1HG2 THR 305 HG21 THR 305 -6.398 16.724 13.532 147 2HG2 THR 305 HG22 THR 305 -5.820 18.335 13.939 148 3HG2 THR 305 HG23 THR 305 -6.042 17.899 12.235 149 H GLU 306 H GLU 306 -1.881 18.016 14.933 150 HA GLU 306 HA GLU 306 -3.199 20.114 16.329 151 1HB GLU 306 HB2 GLU 306 -1.411 20.056 17.937 152 2HB GLU 306 HB3 GLU 306 -1.990 18.437 17.536 153 1HG GLU 306 HG2 GLU 306 -0.040 17.995 16.169 154 2HG GLU 306 HG3 GLU 306 0.446 19.694 16.265 155 H ASN 307 H ASN 307 -0.531 20.293 14.011 156 HA ASN 307 HA ASN 307 0.078 23.099 14.538 157 1HB ASN 307 HB2 ASN 307 1.750 21.556 13.573 158 2HB ASN 307 HB3 ASN 307 0.733 21.310 12.156 159 1HD2 ASN 307 HD22 ASN 307 2.974 23.512 13.718 160 2HD2 ASN 307 HD21 ASN 307 3.029 24.642 12.375 161 H GLU 308 H GLU 308 -2.014 21.322 12.209 162 HA GLU 308 HA GLU 308 -2.961 23.608 10.762 163 1HB GLU 308 HB2 GLU 308 -4.377 20.974 11.358 164 2HB GLU 308 HB3 GLU 308 -4.918 22.187 10.202 165 1HG GLU 308 HG2 GLU 308 -2.773 21.911 8.945 166 2HG GLU 308 HG3 GLU 308 -2.334 20.591 10.023 167 H LEU 309 H LEU 309 -4.079 22.201 13.832 168 HA LEU 309 HA LEU 309 -6.426 23.972 13.955 169 1HB LEU 309 HB2 LEU 309 -5.352 21.608 15.482 170 2HB LEU 309 HB3 LEU 309 -6.507 22.660 16.276 171 HG LEU 309 HG LEU 309 -8.219 22.265 14.674 172 1HD1 LEU 309 HD11 LEU 309 -7.018 22.086 12.547 173 2HD1 LEU 309 HD12 LEU 309 -6.262 20.568 13.075 174 3HD1 LEU 309 HD13 LEU 309 -8.014 20.652 12.811 175 1HD2 LEU 309 HD21 LEU 309 -8.494 19.818 15.003 176 2HD2 LEU 309 HD22 LEU 309 -6.772 19.705 15.451 177 3HD2 LEU 309 HD23 LEU 309 -7.892 20.635 16.461 178 H LYS 310 H LYS 310 -3.359 23.694 15.799 179 HA LYS 310 HA LYS 310 -3.941 26.335 17.071 180 1HB LYS 310 HB2 LYS 310 -3.353 25.449 19.280 181 2HB LYS 310 HB3 LYS 310 -4.807 24.733 18.605 182 1HG LYS 310 HG2 LYS 310 -3.559 22.691 17.988 183 2HG LYS 310 HG3 LYS 310 -2.072 23.374 18.666 184 1HD LYS 310 HD2 LYS 310 -4.648 22.889 20.235 185 2HD LYS 310 HD3 LYS 310 -3.319 21.728 20.136 186 1HE LYS 310 HE2 LYS 310 -1.775 23.295 21.192 187 2HE LYS 310 HE3 LYS 310 -3.004 24.565 21.207 188 1HZ LYS 310 HZ1 LYS 310 -3.268 21.989 22.686 189 2HZ LYS 310 HZ2 LYS 310 -2.818 23.414 23.357 190 3HZ LYS 310 HZ3 LYS 310 -4.315 23.243 22.736 191 H GLY 311 H GLY 311 -1.719 24.816 15.249 192 1HA GLY 311 HA2 GLY 311 0.369 25.500 14.561 193 2HA GLY 311 HA3 GLY 311 0.095 26.972 15.479 194 H GLN 312 H GLN 312 2.524 26.592 15.479 195 HA GLN 312 HA GLN 312 3.320 25.456 18.122 196 1HB GLN 312 HB2 GLN 312 4.661 24.966 15.431 197 2HB GLN 312 HB3 GLN 312 5.478 24.681 16.962 198 1HG GLN 312 HG2 GLN 312 2.915 23.259 16.132 199 2HG GLN 312 HG3 GLN 312 4.542 22.627 15.940 200 1HE2 GLN 312 HE21 GLN 312 2.032 23.399 18.333 201 2HE2 GLN 312 HE22 GLN 312 2.803 22.484 19.634 202 H GLN 313 H GLN 313 3.044 28.278 16.546 203 HA GLN 313 HA GLN 313 5.652 29.454 16.685 204 1HB GLN 313 HB2 GLN 313 2.894 30.748 16.735 205 2HB GLN 313 HB3 GLN 313 4.424 31.605 16.506 206 1HG GLN 313 HG2 GLN 313 4.873 30.203 14.474 207 2HG GLN 313 HG3 GLN 313 3.257 29.509 14.623 208 1HE2 GLN 313 HE22 GLN 313 4.149 30.956 12.306 209 2HE2 GLN 313 HE21 GLN 313 3.186 32.426 12.221 210 H ALA 314 H ALA 314 3.521 28.682 19.267 211 HA ALA 314 HA ALA 314 4.178 30.737 21.142 212 1HB ALA 314 HB1 ALA 314 3.213 27.875 21.567 213 2HB ALA 314 HB2 ALA 314 3.128 29.197 22.750 214 3HB ALA 314 HB3 ALA 314 2.176 29.290 21.258 215 H LEU 315 H LEU 315 6.247 28.304 19.957 216 HA LEU 315 HA LEU 315 8.115 28.576 22.261 217 1HB LEU 315 HB2 LEU 315 6.878 26.468 22.534 218 2HB LEU 315 HB3 LEU 315 7.270 25.997 20.882 219 HG LEU 315 HG LEU 315 9.673 25.847 21.471 220 1HD1 LEU 315 HD11 LEU 315 8.721 26.487 24.299 221 2HD1 LEU 315 HD12 LEU 315 10.340 25.893 23.863 222 3HD1 LEU 315 HD13 LEU 315 9.809 27.481 23.303 223 1HD2 LEU 315 HD21 LEU 315 7.833 24.307 23.349 224 2HD2 LEU 315 HD22 LEU 315 8.197 23.879 21.662 225 3HD2 LEU 315 HD23 LEU 315 9.483 23.843 22.877 226 1H GLY 586 H1 GLY 586 0.813 7.504 42.107 227 2H GLY 586 H2 GLY 586 1.994 6.380 41.952 228 3H GLY 586 H3 GLY 586 2.192 7.642 42.979 229 1HA GLY 586 HA2 GLY 586 2.201 9.208 41.143 230 2HA GLY 586 HA3 GLY 586 3.506 8.015 41.016 231 H VAL 587 H VAL 587 1.867 9.630 38.996 232 HA VAL 587 HA VAL 587 1.382 7.421 37.052 233 HB VAL 587 HB VAL 587 -0.558 9.712 37.603 234 1HG1 VAL 587 HG11 VAL 587 -0.453 9.357 35.212 235 2HG1 VAL 587 HG12 VAL 587 -0.575 7.587 35.413 236 3HG1 VAL 587 HG13 VAL 587 -1.944 8.648 35.810 237 1HG2 VAL 587 HG21 VAL 587 -0.901 7.870 39.183 238 2HG2 VAL 587 HG22 VAL 587 -2.206 7.892 38.000 239 3HG2 VAL 587 HG23 VAL 587 -0.903 6.692 37.849 240 H ARG 588 H ARG 588 2.476 7.812 35.229 241 HA ARG 588 HA ARG 588 3.976 10.267 34.879 242 1HB ARG 588 HB2 ARG 588 4.290 7.624 34.094 243 2HB ARG 588 HB3 ARG 588 3.851 8.383 32.576 244 1HG ARG 588 HG2 ARG 588 6.155 9.157 34.418 245 2HG ARG 588 HG3 ARG 588 6.278 8.250 32.911 246 1HD ARG 588 HD2 ARG 588 5.439 10.276 31.668 247 2HD ARG 588 HD3 ARG 588 5.439 11.160 33.193 248 HE ARG 588 HE ARG 588 7.759 11.228 33.243 249 1HH1 ARG 588 HH21 ARG 588 6.806 9.380 30.388 250 2HH1 ARG 588 HH22 ARG 588 8.434 9.406 29.761 251 1HH2 ARG 588 HH11 ARG 588 9.770 11.222 32.345 252 2HH2 ARG 588 HH12 ARG 588 10.049 10.430 30.823 253 H LYS 589 H LYS 589 0.948 9.150 33.522 254 HA LYS 589 HA LYS 589 0.691 10.858 31.260 255 1HB LYS 589 HB2 LYS 589 -1.378 9.701 33.163 256 2HB LYS 589 HB3 LYS 589 -1.820 10.693 31.778 257 1HG LYS 589 HG2 LYS 589 -0.927 9.159 30.207 258 2HG LYS 589 HG3 LYS 589 -0.102 8.209 31.463 259 1HD LYS 589 HD2 LYS 589 -2.212 7.493 32.402 260 2HD LYS 589 HD3 LYS 589 -3.133 8.501 31.259 261 1HE LYS 589 HE2 LYS 589 -2.403 7.184 29.379 262 2HE LYS 589 HE3 LYS 589 -1.201 6.332 30.355 263 1HZ LYS 589 HZ1 LYS 589 -3.023 5.287 31.590 264 2HZ LYS 589 HZ2 LYS 589 -4.158 6.057 30.684 265 3HZ LYS 589 HZ3 LYS 589 -3.179 4.990 29.982 266 H GLY 590 H GLY 590 0.916 12.916 31.159 267 1HA GLY 590 HA2 GLY 590 -0.633 14.801 32.826 268 2HA GLY 590 HA3 GLY 590 1.134 14.941 32.890 269 H TRP 591 H TRP 591 -0.932 14.047 30.172 270 HA TRP 591 HA TRP 591 0.070 16.369 28.575 271 1HB TRP 591 HB2 TRP 591 0.345 14.893 26.722 272 2HB TRP 591 HB3 TRP 591 1.172 14.200 28.105 273 HD1 TRP 591 HD1 TRP 591 0.316 11.903 29.058 274 HE1 TRP 591 HE1 TRP 591 -1.075 9.997 28.011 275 HE3 TRP 591 HE3 TRP 591 -1.867 14.499 25.216 276 HZ2 TRP 591 HZ2 TRP 591 -2.859 9.654 25.811 277 HZ3 TRP 591 HZ3 TRP 591 -3.369 13.321 23.620 278 HH2 TRP 591 HH2 TRP 591 -3.864 10.918 23.907 279 H HIS 592 H HIS 592 -2.747 14.887 29.707 280 HA HIS 592 HA HIS 592 -4.496 14.941 27.458 281 1HB HIS 592 HB2 HIS 592 -5.094 15.233 30.430 282 2HB HIS 592 HB3 HIS 592 -6.263 14.833 29.183 283 HD1 HIS 592 HD1 HIS 592 -6.515 12.722 31.082 284 HD2 HIS 592 HD2 HIS 592 -3.169 12.770 28.526 285 HE1 HIS 592 HE1 HIS 592 -5.551 10.363 31.111 286 H GLU 593 H GLU 593 -3.600 17.416 29.832 287 HA GLU 593 HA GLU 593 -5.500 19.428 29.185 288 1HB GLU 593 HB2 GLU 593 -3.811 20.937 30.254 289 2HB GLU 593 HB3 GLU 593 -4.349 19.592 31.233 290 1HG GLU 593 HG2 GLU 593 -1.815 19.169 29.658 291 2HG GLU 593 HG3 GLU 593 -1.760 20.339 30.970 292 H HIS 594 H HIS 594 -2.757 18.413 27.263 293 HA HIS 594 HA HIS 594 -2.579 20.970 25.801 294 1HB HIS 594 HB2 HIS 594 -1.372 18.257 25.164 295 2HB HIS 594 HB3 HIS 594 -0.935 19.800 24.433 296 HD1 HIS 594 HD1 HIS 594 -0.311 21.645 26.836 297 HD2 HIS 594 HD2 HIS 594 0.581 17.536 26.688 298 HE1 HIS 594 HE1 HIS 594 1.548 21.255 28.535 299 H VAL 595 H VAL 595 -4.531 18.133 25.611 300 HA VAL 595 HA VAL 595 -5.037 18.143 22.732 301 HB VAL 595 HB VAL 595 -6.558 16.716 24.960 302 1HG1 VAL 595 HG11 VAL 595 -7.781 16.578 22.851 303 2HG1 VAL 595 HG12 VAL 595 -6.298 16.106 21.982 304 3HG1 VAL 595 HG13 VAL 595 -7.031 15.027 23.180 305 1HG2 VAL 595 HG21 VAL 595 -5.124 14.758 24.471 306 2HG2 VAL 595 HG22 VAL 595 -4.141 15.748 23.366 307 3HG2 VAL 595 HG23 VAL 595 -4.173 16.083 25.112 308 H THR 596 H THR 596 -7.115 18.594 21.758 309 HA THR 596 HA THR 596 -9.017 20.294 23.314 310 HB THR 596 HB THR 596 -9.375 21.725 21.408 311 HG1 THR 596 HG1 THR 596 -7.934 21.542 19.611 312 1HG2 THR 596 HG21 THR 596 -7.302 22.967 21.298 313 2HG2 THR 596 HG22 THR 596 -7.508 22.358 22.950 314 3HG2 THR 596 HG23 THR 596 -6.365 21.559 21.844 315 H GLN 597 H GLN 597 -11.217 20.261 22.498 316 HA GLN 597 HA GLN 597 -12.153 17.696 21.676 317 1HB GLN 597 HB2 GLN 597 -13.457 19.460 22.908 318 2HB GLN 597 HB3 GLN 597 -13.564 20.376 21.393 319 1HG GLN 597 HG2 GLN 597 -14.802 18.491 20.343 320 2HG GLN 597 HG3 GLN 597 -14.600 17.538 21.815 321 1HE2 GLN 597 HE22 GLN 597 -16.762 17.337 22.511 322 2HE2 GLN 597 HE21 GLN 597 -17.783 18.732 22.839 323 H ASP 598 H ASP 598 -11.404 20.637 19.777 324 HA ASP 598 HA ASP 598 -12.308 19.729 17.228 325 1HB ASP 598 HB2 ASP 598 -10.044 21.624 17.982 326 2HB ASP 598 HB3 ASP 598 -10.655 21.391 16.346 327 H LEU 599 H LEU 599 -9.085 19.341 18.825 328 HA LEU 599 HA LEU 599 -7.885 17.908 16.665 329 1HB LEU 599 HB2 LEU 599 -6.689 18.978 18.623 330 2HB LEU 599 HB3 LEU 599 -7.288 17.662 19.645 331 HG LEU 599 HG LEU 599 -6.022 16.021 18.289 332 1HD1 LEU 599 HD11 LEU 599 -5.021 18.478 16.780 333 2HD1 LEU 599 HD12 LEU 599 -4.291 16.861 16.690 334 3HD1 LEU 599 HD13 LEU 599 -5.933 17.106 16.104 335 1HD2 LEU 599 HD21 LEU 599 -4.337 18.377 19.242 336 2HD2 LEU 599 HD22 LEU 599 -4.964 17.062 20.260 337 3HD2 LEU 599 HD23 LEU 599 -3.769 16.709 19.006 338 H ARG 600 H ARG 600 -9.545 16.732 19.622 339 HA ARG 600 HA ARG 600 -9.458 13.972 19.109 340 1HB ARG 600 HB2 ARG 600 -10.548 15.621 21.070 341 2HB ARG 600 HB3 ARG 600 -12.013 15.095 20.256 342 1HG ARG 600 HG2 ARG 600 -11.678 13.517 21.972 343 2HG ARG 600 HG3 ARG 600 -11.092 12.695 20.517 344 1HD ARG 600 HD2 ARG 600 -8.746 13.626 21.176 345 2HD ARG 600 HD3 ARG 600 -9.464 14.024 22.735 346 HE ARG 600 HE ARG 600 -9.025 11.305 21.588 347 1HH1 ARG 600 HH21 ARG 600 -10.043 13.051 24.465 348 2HH1 ARG 600 HH22 ARG 600 -10.419 11.574 25.307 349 1HH2 ARG 600 HH11 ARG 600 -9.781 9.592 22.558 350 2HH2 ARG 600 HH12 ARG 600 -10.189 9.609 24.273 351 H SER 601 H SER 601 -12.089 16.202 18.084 352 HA SER 601 HA SER 601 -13.636 14.343 16.630 353 1HB SER 601 HB2 SER 601 -13.140 17.301 16.112 354 2HB SER 601 HB3 SER 601 -14.422 16.344 15.341 355 HG SER 601 HG SER 601 -15.184 17.456 17.210 356 H HIS 602 H HIS 602 -11.075 16.542 15.325 357 HA HIS 602 HA HIS 602 -11.361 15.526 12.653 358 1HB HIS 602 HB2 HIS 602 -10.573 17.787 13.263 359 2HB HIS 602 HB3 HIS 602 -9.094 17.101 13.913 360 HD1 HIS 602 HD1 HIS 602 -10.604 18.332 10.715 361 HD2 HIS 602 HD2 HIS 602 -7.590 15.643 11.879 362 HE1 HIS 602 HE1 HIS 602 -9.207 17.881 8.632 363 H LEU 603 H LEU 603 -9.115 14.591 15.320 364 HA LEU 603 HA LEU 603 -7.580 12.768 13.676 365 1HB LEU 603 HB2 LEU 603 -7.998 12.967 16.683 366 2HB LEU 603 HB3 LEU 603 -7.027 11.723 15.943 367 HG LEU 603 HG LEU 603 -6.453 14.682 16.120 368 1HD1 LEU 603 HD11 LEU 603 -5.651 13.101 17.855 369 2HD1 LEU 603 HD12 LEU 603 -4.752 12.202 16.612 370 3HD1 LEU 603 HD13 LEU 603 -4.325 13.885 16.996 371 1HD2 LEU 603 HD21 LEU 603 -5.986 14.267 13.771 372 2HD2 LEU 603 HD22 LEU 603 -4.498 14.432 14.684 373 3HD2 LEU 603 HD23 LEU 603 -5.044 12.809 14.190 374 H VAL 604 H VAL 604 -10.539 12.192 15.702 375 HA VAL 604 HA VAL 604 -10.772 9.402 15.042 376 HB VAL 604 HB VAL 604 -12.881 11.506 15.645 377 1HG1 VAL 604 HG11 VAL 604 -14.484 9.668 15.986 378 2HG1 VAL 604 HG12 VAL 604 -14.005 9.759 14.301 379 3HG1 VAL 604 HG13 VAL 604 -13.306 8.497 15.343 380 1HG2 VAL 604 HG21 VAL 604 -13.048 10.346 17.790 381 2HG2 VAL 604 HG22 VAL 604 -11.872 9.124 17.258 382 3HG2 VAL 604 HG23 VAL 604 -11.365 10.806 17.514 383 H HIS 605 H HIS 605 -12.031 12.295 13.329 384 HA HIS 605 HA HIS 605 -13.166 10.984 11.108 385 1HB HIS 605 HB2 HIS 605 -13.745 13.173 11.049 386 2HB HIS 605 HB3 HIS 605 -12.266 13.709 11.813 387 HD1 HIS 605 HD1 HIS 605 -10.294 14.552 10.248 388 HD2 HIS 605 HD2 HIS 605 -13.638 12.917 8.297 389 HE1 HIS 605 HE1 HIS 605 -9.966 15.023 7.762 390 H LYS 606 H LYS 606 -9.821 12.208 11.406 391 HA LYS 606 HA LYS 606 -9.057 11.226 8.813 392 1HB LYS 606 HB2 LYS 606 -8.128 13.176 10.053 393 2HB LYS 606 HB3 LYS 606 -7.217 12.066 11.083 394 1HG LYS 606 HG2 LYS 606 -5.730 11.522 9.365 395 2HG LYS 606 HG3 LYS 606 -6.942 11.718 8.098 396 1HD LYS 606 HD2 LYS 606 -5.171 13.453 7.991 397 2HD LYS 606 HD3 LYS 606 -6.804 14.112 8.165 398 1HE LYS 606 HE2 LYS 606 -6.408 14.383 10.624 399 2HE LYS 606 HE3 LYS 606 -4.760 13.793 10.402 400 1HZ LYS 606 HZ1 LYS 606 -5.884 16.259 9.192 401 2HZ LYS 606 HZ2 LYS 606 -4.827 16.165 10.439 402 3HZ LYS 606 HZ3 LYS 606 -4.331 15.685 8.970 403 H LEU 607 H LEU 607 -9.011 9.705 11.971 404 HA LEU 607 HA LEU 607 -7.479 7.401 11.321 405 1HB LEU 607 HB2 LEU 607 -9.161 8.266 13.489 406 2HB LEU 607 HB3 LEU 607 -9.815 6.752 12.949 407 HG LEU 607 HG LEU 607 -7.640 5.646 13.338 408 1HD1 LEU 607 HD11 LEU 607 -6.746 8.284 14.596 409 2HD1 LEU 607 HD12 LEU 607 -5.858 6.743 14.593 410 3HD1 LEU 607 HD13 LEU 607 -6.098 7.638 13.083 411 1HD2 LEU 607 HD21 LEU 607 -7.736 5.728 15.775 412 2HD2 LEU 607 HD22 LEU 607 -8.665 7.242 15.694 413 3HD2 LEU 607 HD23 LEU 607 -9.364 5.725 15.082 414 H VAL 608 H VAL 608 -11.020 7.984 11.032 415 HA VAL 608 HA VAL 608 -11.740 5.608 9.689 416 HB VAL 608 HB VAL 608 -12.989 8.376 9.614 417 1HG1 VAL 608 HG11 VAL 608 -14.003 5.793 8.427 418 2HG1 VAL 608 HG12 VAL 608 -15.054 7.181 8.801 419 3HG1 VAL 608 HG13 VAL 608 -13.776 7.342 7.594 420 1HG2 VAL 608 HG21 VAL 608 -14.613 7.380 11.130 421 2HG2 VAL 608 HG22 VAL 608 -13.804 5.800 11.012 422 3HG2 VAL 608 HG23 VAL 608 -12.996 7.177 11.795 423 H GLN 609 H GLN 609 -10.658 8.692 8.186 424 HA GLN 609 HA GLN 609 -11.048 7.969 5.485 425 1HB GLN 609 HB2 GLN 609 -8.785 9.644 6.656 426 2HB GLN 609 HB3 GLN 609 -9.250 9.638 4.967 427 1HG GLN 609 HG2 GLN 609 -11.114 10.554 7.187 428 2HG GLN 609 HG3 GLN 609 -10.025 11.616 6.320 429 1HE2 GLN 609 HE22 GLN 609 -12.203 12.708 5.954 430 2HE2 GLN 609 HE21 GLN 609 -13.082 12.189 4.513 431 H ALA 610 H ALA 610 -8.309 7.026 7.575 432 HA ALA 610 HA ALA 610 -6.980 5.716 5.248 433 1HB ALA 610 HB1 ALA 610 -6.103 6.082 8.114 434 2HB ALA 610 HB2 ALA 610 -5.144 5.340 6.817 435 3HB ALA 610 HB3 ALA 610 -5.589 7.061 6.722 436 H ILE 611 H ILE 611 -8.794 4.852 8.206 437 HA ILE 611 HA ILE 611 -8.240 2.045 8.154 438 HB ILE 611 HB ILE 611 -10.588 3.621 9.238 439 1HG1 ILE 611 HG12 ILE 611 -8.398 2.085 10.716 440 2HG1 ILE 611 HG13 ILE 611 -8.213 3.762 10.281 441 1HG2 ILE 611 HG21 ILE 611 -10.013 0.642 9.645 442 2HG2 ILE 611 HG22 ILE 611 -11.312 1.586 10.412 443 3HG2 ILE 611 HG23 ILE 611 -11.342 1.300 8.688 444 1HD1 ILE 611 HD11 ILE 611 -10.238 4.347 11.620 445 2HD1 ILE 611 HD12 ILE 611 -10.342 2.654 12.154 446 3HD1 ILE 611 HD13 ILE 611 -8.931 3.629 12.581 447 H PHE 612 H PHE 612 -10.973 3.904 6.610 448 HA PHE 612 HA PHE 612 -10.757 2.010 4.360 449 1HB PHE 612 HB2 PHE 612 -12.435 0.970 5.688 450 2HB PHE 612 HB3 PHE 612 -13.290 2.487 5.910 451 HD1 PHE 612 HD1 PHE 612 -11.951 1.378 2.547 452 HD2 PHE 612 HD2 PHE 612 -15.381 1.645 5.163 453 HE1 PHE 612 HE1 PHE 612 -13.454 0.964 0.623 454 HE2 PHE 612 HE2 PHE 612 -16.865 1.150 3.241 455 HZ PHE 612 HZ PHE 612 -15.908 0.805 0.997 456 HA PRO 613 HA PRO 613 -10.752 6.319 2.804 457 1HB PRO 613 HB2 PRO 613 -10.067 4.780 0.306 458 2HB PRO 613 HB3 PRO 613 -9.332 6.285 0.940 459 1HG PRO 613 HG2 PRO 613 -8.066 3.910 1.239 460 2HG PRO 613 HG3 PRO 613 -8.115 5.075 2.602 461 1HD PRO 613 HD2 PRO 613 -9.844 2.637 2.146 462 2HD PRO 613 HD3 PRO 613 -9.045 3.188 3.647 463 H THR 614 H THR 614 -12.924 3.906 2.159 464 HA THR 614 HA THR 614 -14.763 3.485 1.021 465 HB THR 614 HB THR 614 -16.368 5.265 0.534 466 HG1 THR 614 HG1 THR 614 -14.155 6.830 0.921 467 1HG2 THR 614 HG21 THR 614 -16.149 4.190 2.774 468 2HG2 THR 614 HG22 THR 614 -15.092 5.528 3.274 469 3HG2 THR 614 HG23 THR 614 -16.785 5.834 2.821 470 HA PRO 615 HA PRO 615 -14.157 3.309 -3.306 471 1HB PRO 615 HB2 PRO 615 -16.652 2.670 -4.286 472 2HB PRO 615 HB3 PRO 615 -15.657 1.542 -3.317 473 1HG PRO 615 HG2 PRO 615 -17.862 3.340 -2.293 474 2HG PRO 615 HG3 PRO 615 -17.657 1.573 -2.045 475 1HD PRO 615 HD2 PRO 615 -16.753 3.247 -0.160 476 2HD PRO 615 HD3 PRO 615 -15.730 1.889 -0.713 477 H ASP 616 H ASP 616 -16.812 5.294 -2.143 478 HA ASP 616 HA ASP 616 -16.391 7.527 -4.003 479 1HB ASP 616 HB2 ASP 616 -18.892 5.795 -3.923 480 2HB ASP 616 HB3 ASP 616 -18.977 7.448 -4.441 481 HA PRO 617 HA PRO 617 -17.467 9.611 -0.342 482 1HB PRO 617 HB2 PRO 617 -18.714 11.947 -1.112 483 2HB PRO 617 HB3 PRO 617 -16.980 11.592 -1.363 484 1HG PRO 617 HG2 PRO 617 -19.249 11.316 -3.338 485 2HG PRO 617 HG3 PRO 617 -17.620 12.011 -3.606 486 1HD PRO 617 HD2 PRO 617 -18.305 9.465 -4.324 487 2HD PRO 617 HD3 PRO 617 -16.653 9.846 -3.798 488 H ALA 618 H ALA 618 -20.233 8.770 -2.342 489 HA ALA 618 HA ALA 618 -22.304 9.227 -0.397 490 1HB ALA 618 HB1 ALA 618 -23.576 7.640 -1.794 491 2HB ALA 618 HB2 ALA 618 -22.728 8.832 -2.797 492 3HB ALA 618 HB3 ALA 618 -22.089 7.177 -2.650 493 H ALA 619 H ALA 619 -19.909 6.598 -0.762 494 HA ALA 619 HA ALA 619 -21.264 4.733 0.976 495 1HB ALA 619 HB1 ALA 619 -19.119 3.495 0.858 496 2HB ALA 619 HB2 ALA 619 -19.689 3.995 -0.743 497 3HB ALA 619 HB3 ALA 619 -18.377 4.880 0.039 498 H LEU 620 H LEU 620 -19.292 7.555 1.689 499 HA LEU 620 HA LEU 620 -18.588 6.906 4.409 500 1HB LEU 620 HB2 LEU 620 -19.137 9.552 3.000 501 2HB LEU 620 HB3 LEU 620 -18.510 9.430 4.623 502 HG LEU 620 HG LEU 620 -17.047 8.237 2.244 503 1HD1 LEU 620 HD11 LEU 620 -17.304 10.664 1.915 504 2HD1 LEU 620 HD12 LEU 620 -16.659 10.965 3.543 505 3HD1 LEU 620 HD13 LEU 620 -15.626 10.239 2.289 506 1HD2 LEU 620 HD21 LEU 620 -15.107 8.314 3.748 507 2HD2 LEU 620 HD22 LEU 620 -16.080 9.077 5.025 508 3HD2 LEU 620 HD23 LEU 620 -16.402 7.405 4.536 509 H LYS 621 H LYS 621 -21.586 7.888 2.884 510 HA LYS 621 HA LYS 621 -22.861 8.738 5.427 511 1HB LYS 621 HB2 LYS 621 -24.015 8.686 2.609 512 2HB LYS 621 HB3 LYS 621 -24.651 9.546 4.004 513 1HG LYS 621 HG2 LYS 621 -22.074 10.184 2.501 514 2HG LYS 621 HG3 LYS 621 -23.591 11.078 2.447 515 1HD LYS 621 HD2 LYS 621 -23.356 11.622 4.872 516 2HD LYS 621 HD3 LYS 621 -21.788 10.781 4.894 517 1HE LYS 621 HE2 LYS 621 -20.929 12.313 3.150 518 2HE LYS 621 HE3 LYS 621 -22.489 13.143 3.095 519 1HZ LYS 621 HZ1 LYS 621 -20.909 14.328 4.507 520 2HZ LYS 621 HZ2 LYS 621 -22.153 13.798 5.417 521 3HZ LYS 621 HZ3 LYS 621 -20.711 13.031 5.476 522 H ASP 622 H ASP 622 -22.698 5.890 3.512 523 HA ASP 622 HA ASP 622 -25.294 4.791 3.980 524 1HB ASP 622 HB2 ASP 622 -23.789 3.971 2.232 525 2HB ASP 622 HB3 ASP 622 -22.621 3.434 3.449 526 H ARG 623 H ARG 623 -26.110 3.417 5.510 527 HA ARG 623 HA ARG 623 -25.366 3.729 8.177 528 1HB ARG 623 HB2 ARG 623 -27.078 2.286 8.767 529 2HB ARG 623 HB3 ARG 623 -27.618 3.063 7.294 530 1HG ARG 623 HG2 ARG 623 -26.574 0.205 7.571 531 2HG ARG 623 HG3 ARG 623 -28.253 0.706 7.401 532 1HD ARG 623 HD2 ARG 623 -27.721 1.626 5.127 533 2HD ARG 623 HD3 ARG 623 -26.077 0.978 5.306 534 HE ARG 623 HE ARG 623 -28.084 -1.050 5.762 535 1HH1 ARG 623 HH11 ARG 623 -26.386 0.579 3.120 536 2HH1 ARG 623 HH12 ARG 623 -26.691 -0.753 2.034 537 1HH2 ARG 623 HH22 ARG 623 -28.388 -2.685 4.304 538 2HH2 ARG 623 HH21 ARG 623 -27.777 -2.535 2.683 539 H ARG 624 H ARG 624 -24.001 1.287 6.031 540 HA ARG 624 HA ARG 624 -22.982 -0.398 8.183 541 1HB ARG 624 HB2 ARG 624 -23.424 -1.014 5.711 542 2HB ARG 624 HB3 ARG 624 -21.930 -0.160 5.339 543 1HG ARG 624 HG2 ARG 624 -21.455 -2.486 5.456 544 2HG ARG 624 HG3 ARG 624 -20.711 -1.754 6.882 545 1HD ARG 624 HD2 ARG 624 -22.594 -2.579 8.273 546 2HD ARG 624 HD3 ARG 624 -23.394 -3.202 6.833 547 HE ARG 624 HE ARG 624 -21.748 -4.899 6.593 548 1HH1 ARG 624 HH11 ARG 624 -21.280 -3.171 9.621 549 2HH1 ARG 624 HH12 ARG 624 -20.271 -4.453 10.260 550 1HH2 ARG 624 HH21 ARG 624 -20.285 -6.348 7.422 551 2HH2 ARG 624 HH22 ARG 624 -19.473 -5.970 8.921 552 H MET 625 H MET 625 -21.823 2.559 6.663 553 HA MET 625 HA MET 625 -19.088 2.354 7.542 554 1HB MET 625 HB2 MET 625 -20.112 3.945 5.762 555 2HB MET 625 HB3 MET 625 -20.575 4.961 7.131 556 1HG MET 625 HG2 MET 625 -18.496 5.795 6.335 557 2HG MET 625 HG3 MET 625 -18.126 4.954 7.830 558 1HE MET 625 HE1 MET 625 -15.596 4.685 7.486 559 2HE MET 625 HE2 MET 625 -14.788 4.214 5.982 560 3HE MET 625 HE3 MET 625 -15.704 5.735 6.059 561 H GLU 626 H GLU 626 -22.050 3.248 9.282 562 HA GLU 626 HA GLU 626 -20.876 4.560 11.493 563 1HB GLU 626 HB2 GLU 626 -23.308 2.741 11.464 564 2HB GLU 626 HB3 GLU 626 -22.841 3.834 12.766 565 1HG GLU 626 HG2 GLU 626 -22.974 5.761 11.145 566 2HG GLU 626 HG3 GLU 626 -23.621 4.651 9.935 567 H ASN 627 H ASN 627 -20.891 1.096 10.735 568 HA ASN 627 HA ASN 627 -19.970 0.241 13.367 569 1HB ASN 627 HB2 ASN 627 -19.602 -1.152 10.673 570 2HB ASN 627 HB3 ASN 627 -19.454 -1.880 12.270 571 1HD2 ASN 627 HD22 ASN 627 -21.635 -1.431 13.685 572 2HD2 ASN 627 HD21 ASN 627 -23.080 -1.843 12.778 573 H LEU 628 H LEU 628 -18.352 1.070 10.311 574 HA LEU 628 HA LEU 628 -15.633 0.644 11.078 575 1HB LEU 628 HB2 LEU 628 -16.762 0.977 8.774 576 2HB LEU 628 HB3 LEU 628 -16.751 2.690 9.111 577 HG LEU 628 HG LEU 628 -15.028 2.179 7.629 578 1HD1 LEU 628 HD11 LEU 628 -13.531 2.576 10.232 579 2HD1 LEU 628 HD12 LEU 628 -13.113 3.156 8.609 580 3HD1 LEU 628 HD13 LEU 628 -14.506 3.844 9.467 581 1HD2 LEU 628 HD21 LEU 628 -14.781 -0.237 8.249 582 2HD2 LEU 628 HD22 LEU 628 -13.272 0.609 7.935 583 3HD2 LEU 628 HD23 LEU 628 -13.753 0.277 9.611 584 H VAL 629 H VAL 629 -17.648 3.556 11.087 585 HA VAL 629 HA VAL 629 -15.884 5.411 12.324 586 HB VAL 629 HB VAL 629 -18.885 5.162 12.109 587 1HG1 VAL 629 HG11 VAL 629 -17.433 7.524 13.336 588 2HG1 VAL 629 HG12 VAL 629 -19.134 7.497 12.798 589 3HG1 VAL 629 HG13 VAL 629 -18.631 6.464 14.132 590 1HG2 VAL 629 HG21 VAL 629 -16.950 7.174 10.891 591 2HG2 VAL 629 HG22 VAL 629 -17.492 5.701 10.070 592 3HG2 VAL 629 HG23 VAL 629 -18.665 6.953 10.493 593 H ALA 630 H ALA 630 -18.317 3.281 13.944 594 HA ALA 630 HA ALA 630 -17.702 4.148 16.597 595 1HB ALA 630 HB1 ALA 630 -19.797 3.013 15.982 596 2HB ALA 630 HB2 ALA 630 -18.899 1.530 15.583 597 3HB ALA 630 HB3 ALA 630 -18.951 2.120 17.259 598 H TYR 631 H TYR 631 -16.441 1.415 14.643 599 HA TYR 631 HA TYR 631 -14.573 0.372 16.531 600 1HB TYR 631 HB2 TYR 631 -15.045 -0.920 14.663 601 2HB TYR 631 HB3 TYR 631 -14.850 0.404 13.530 602 HD1 TYR 631 HD1 TYR 631 -12.765 0.928 12.507 603 HD2 TYR 631 HD2 TYR 631 -12.962 -2.013 15.679 604 HE1 TYR 631 HE1 TYR 631 -10.440 0.171 11.992 605 HE2 TYR 631 HE2 TYR 631 -10.685 -2.696 15.180 606 HH TYR 631 HH TYR 631 -8.837 -2.385 13.887 607 H ALA 632 H ALA 632 -14.095 2.955 14.026 608 HA ALA 632 HA ALA 632 -11.435 3.599 14.765 609 1HB ALA 632 HB1 ALA 632 -11.853 5.695 13.566 610 2HB ALA 632 HB2 ALA 632 -12.534 4.316 12.678 611 3HB ALA 632 HB3 ALA 632 -13.599 5.397 13.602 612 H LYS 633 H LYS 633 -14.539 4.942 16.073 613 HA LYS 633 HA LYS 633 -13.313 6.772 17.937 614 1HB LYS 633 HB2 LYS 633 -15.984 5.309 17.952 615 2HB LYS 633 HB3 LYS 633 -15.510 6.445 19.220 616 1HG LYS 633 HG2 LYS 633 -15.286 8.259 17.640 617 2HG LYS 633 HG3 LYS 633 -15.598 7.185 16.266 618 1HD LYS 633 HD2 LYS 633 -17.878 6.712 17.183 619 2HD LYS 633 HD3 LYS 633 -17.560 7.856 18.506 620 1HE LYS 633 HE2 LYS 633 -17.174 9.657 16.805 621 2HE LYS 633 HE3 LYS 633 -17.561 8.506 15.520 622 1HZ LYS 633 HZ1 LYS 633 -19.427 9.372 17.670 623 2HZ LYS 633 HZ2 LYS 633 -19.501 9.836 16.110 624 3HZ LYS 633 HZ3 LYS 633 -19.797 8.282 16.510 625 H LYS 634 H LYS 634 -14.242 3.348 18.394 626 HA LYS 634 HA LYS 634 -13.348 3.143 21.108 627 1HB LYS 634 HB2 LYS 634 -14.894 1.549 20.016 628 2HB LYS 634 HB3 LYS 634 -13.608 1.006 18.944 629 1HG LYS 634 HG2 LYS 634 -13.977 -0.595 20.729 630 2HG LYS 634 HG3 LYS 634 -12.355 0.082 20.854 631 1HD LYS 634 HD2 LYS 634 -13.080 1.554 22.703 632 2HD LYS 634 HD3 LYS 634 -14.754 0.980 22.519 633 1HE LYS 634 HE2 LYS 634 -14.008 -1.329 23.056 634 2HE LYS 634 HE3 LYS 634 -12.343 -0.756 23.225 635 1HZ LYS 634 HZ1 LYS 634 -13.084 0.646 25.079 636 2HZ LYS 634 HZ2 LYS 634 -14.624 0.121 24.920 637 3HZ LYS 634 HZ3 LYS 634 -13.452 -0.914 25.381 638 H VAL 635 H VAL 635 -11.616 2.384 18.061 639 HA VAL 635 HA VAL 635 -9.112 1.651 19.234 640 HB VAL 635 HB VAL 635 -9.818 2.841 16.530 641 1HG1 VAL 635 HG11 VAL 635 -7.489 3.497 16.929 642 2HG1 VAL 635 HG12 VAL 635 -7.091 1.851 17.472 643 3HG1 VAL 635 HG13 VAL 635 -7.541 2.162 15.781 644 1HG2 VAL 635 HG21 VAL 635 -10.540 0.479 17.034 645 2HG2 VAL 635 HG22 VAL 635 -9.351 0.573 15.732 646 3HG2 VAL 635 HG23 VAL 635 -8.850 0.062 17.358 647 H GLU 636 H GLU 636 -10.228 4.928 18.124 648 HA GLU 636 HA GLU 636 -7.897 6.301 18.824 649 1HB GLU 636 HB2 GLU 636 -9.907 7.139 17.553 650 2HB GLU 636 HB3 GLU 636 -10.735 7.394 19.072 651 1HG GLU 636 HG2 GLU 636 -8.021 8.620 18.381 652 2HG GLU 636 HG3 GLU 636 -9.533 9.389 17.955 653 H GLY 637 H GLY 637 -10.714 5.652 20.960 654 1HA GLY 637 HA2 GLY 637 -9.667 6.888 23.308 655 2HA GLY 637 HA3 GLY 637 -10.911 5.633 23.249 656 H ASP 638 H ASP 638 -9.192 3.559 22.041 657 HA ASP 638 HA ASP 638 -7.958 2.557 24.487 658 1HB ASP 638 HB2 ASP 638 -9.161 1.157 22.786 659 2HB ASP 638 HB3 ASP 638 -7.863 1.480 21.636 660 H MET 639 H MET 639 -6.767 3.968 21.442 661 HA MET 639 HA MET 639 -3.940 3.525 21.975 662 1HB MET 639 HB2 MET 639 -5.383 5.423 20.087 663 2HB MET 639 HB3 MET 639 -3.643 5.105 20.059 664 1HG MET 639 HG2 MET 639 -5.775 2.971 19.672 665 2HG MET 639 HG3 MET 639 -5.014 3.814 18.347 666 1HE MET 639 HE1 MET 639 -5.220 0.696 18.491 667 2HE MET 639 HE2 MET 639 -3.959 -0.177 19.392 668 3HE MET 639 HE3 MET 639 -5.227 0.705 20.268 669 H TYR 640 H TYR 640 -6.216 6.207 22.538 670 HA TYR 640 HA TYR 640 -4.419 8.114 23.697 671 1HB TYR 640 HB2 TYR 640 -6.741 8.469 22.887 672 2HB TYR 640 HB3 TYR 640 -7.360 7.539 24.225 673 HD1 TYR 640 HD1 TYR 640 -6.900 8.465 26.644 674 HD2 TYR 640 HD2 TYR 640 -6.419 10.780 23.033 675 HE1 TYR 640 HE1 TYR 640 -7.042 10.566 27.967 676 HE2 TYR 640 HE2 TYR 640 -6.577 12.876 24.359 677 HH TYR 640 HH TYR 640 -7.052 12.848 27.907 678 H GLU 641 H GLU 641 -6.476 5.599 25.293 679 HA GLU 641 HA GLU 641 -5.415 6.061 27.902 680 1HB GLU 641 HB2 GLU 641 -7.586 4.927 27.274 681 2HB GLU 641 HB3 GLU 641 -6.652 3.513 26.787 682 1HG GLU 641 HG2 GLU 641 -7.564 3.141 28.966 683 2HG GLU 641 HG3 GLU 641 -5.825 3.291 29.143 684 H SER 642 H SER 642 -4.148 4.157 25.245 685 HA SER 642 HA SER 642 -2.272 2.611 26.868 686 1HB SER 642 HB2 SER 642 -2.493 3.039 23.869 687 2HB SER 642 HB3 SER 642 -1.353 1.923 24.648 688 HG SER 642 HG SER 642 -4.179 1.847 24.628 689 H ALA 643 H ALA 643 -2.137 5.872 26.284 690 HA ALA 643 HA ALA 643 0.814 5.897 25.791 691 1HB ALA 643 HB1 ALA 643 0.374 8.017 24.642 692 2HB ALA 643 HB2 ALA 643 -0.531 6.673 23.917 693 3HB ALA 643 HB3 ALA 643 -1.361 7.840 24.969 694 H ASN 644 H ASN 644 2.133 6.897 27.104 695 HA ASN 644 HA ASN 644 1.119 8.401 29.432 696 1HB ASN 644 HB2 ASN 644 3.046 7.899 30.475 697 2HB ASN 644 HB3 ASN 644 3.015 6.544 29.362 698 1HD2 ASN 644 HD22 ASN 644 4.292 7.054 27.170 699 2HD2 ASN 644 HD21 ASN 644 5.801 7.926 27.433 700 H SER 645 H SER 645 2.029 9.240 26.291 701 HA SER 645 HA SER 645 2.138 12.099 26.996 702 1HB SER 645 HB2 SER 645 4.104 12.573 25.726 703 2HB SER 645 HB3 SER 645 4.518 11.301 26.884 704 HG SER 645 HG SER 645 5.335 10.746 24.873 705 H ARG 646 H ARG 646 1.783 13.507 25.142 706 HA ARG 646 HA ARG 646 -0.270 12.638 23.351 707 1HB ARG 646 HB2 ARG 646 0.252 14.997 24.209 708 2HB ARG 646 HB3 ARG 646 1.528 15.072 22.989 709 1HG ARG 646 HG2 ARG 646 -0.181 14.736 21.196 710 2HG ARG 646 HG3 ARG 646 -1.430 14.554 22.437 711 1HD ARG 646 HD2 ARG 646 -1.661 16.772 21.730 712 2HD ARG 646 HD3 ARG 646 -0.791 16.889 23.260 713 HE ARG 646 HE ARG 646 0.295 17.307 20.494 714 1HH1 ARG 646 HH21 ARG 646 1.043 17.557 23.919 715 2HH1 ARG 646 HH22 ARG 646 2.394 18.611 23.607 716 1HH2 ARG 646 HH11 ARG 646 1.903 18.683 20.189 717 2HH2 ARG 646 HH12 ARG 646 2.903 19.194 21.533 718 H ASP 647 H ASP 647 3.192 13.024 22.895 719 HA ASP 647 HA ASP 647 3.362 12.417 20.104 720 1HB ASP 647 HB2 ASP 647 5.160 13.446 21.469 721 2HB ASP 647 HB3 ASP 647 5.365 11.931 22.346 722 H GLU 648 H GLU 648 3.553 10.228 22.991 723 HA GLU 648 HA GLU 648 3.863 7.822 21.444 724 1HB GLU 648 HB2 GLU 648 4.479 8.040 23.818 725 2HB GLU 648 HB3 GLU 648 2.772 8.204 24.259 726 1HG GLU 648 HG2 GLU 648 2.308 5.938 23.472 727 2HG GLU 648 HG3 GLU 648 3.934 5.799 22.792 728 H TYR 649 H TYR 649 0.960 9.512 22.683 729 HA TYR 649 HA TYR 649 -1.027 7.649 21.853 730 1HB TYR 649 HB2 TYR 649 -1.810 9.293 23.228 731 2HB TYR 649 HB3 TYR 649 -0.845 10.552 22.510 732 HD1 TYR 649 HD1 TYR 649 -3.769 8.346 21.637 733 HD2 TYR 649 HD2 TYR 649 -1.851 12.183 21.215 734 HE1 TYR 649 HE1 TYR 649 -5.879 9.303 20.724 735 HE2 TYR 649 HE2 TYR 649 -3.919 13.113 20.222 736 HH TYR 649 HH TYR 649 -6.970 11.205 20.105 737 H TYR 650 H TYR 650 0.065 10.577 20.034 738 HA TYR 650 HA TYR 650 -1.052 9.936 17.546 739 1HB TYR 650 HB2 TYR 650 1.304 11.523 18.521 740 2HB TYR 650 HB3 TYR 650 1.393 11.029 16.851 741 HD1 TYR 650 HD1 TYR 650 0.574 13.743 18.688 742 HD2 TYR 650 HD2 TYR 650 -1.109 11.198 15.639 743 HE1 TYR 650 HE1 TYR 650 -0.699 15.687 17.750 744 HE2 TYR 650 HE2 TYR 650 -2.435 13.111 14.777 745 HH TYR 650 HH TYR 650 -2.556 15.358 14.729 746 H HIS 651 H HIS 651 2.153 8.815 18.748 747 HA HIS 651 HA HIS 651 2.896 7.380 16.413 748 1HB HIS 651 HB2 HIS 651 4.478 7.880 18.172 749 2HB HIS 651 HB3 HIS 651 3.563 6.936 19.341 750 HD1 HIS 651 HD1 HIS 651 5.569 6.242 16.076 751 HD2 HIS 651 HD2 HIS 651 4.272 4.468 19.668 752 HE1 HIS 651 HE1 HIS 651 6.649 3.934 16.164 753 H LEU 652 H LEU 652 1.043 6.207 19.271 754 HA LEU 652 HA LEU 652 0.637 3.552 18.246 755 1HB LEU 652 HB2 LEU 652 -0.816 5.227 20.329 756 2HB LEU 652 HB3 LEU 652 -1.228 3.555 19.988 757 HG LEU 652 HG LEU 652 1.511 4.455 20.979 758 1HD1 LEU 652 HD11 LEU 652 0.800 3.462 23.108 759 2HD1 LEU 652 HD12 LEU 652 -0.319 4.752 22.637 760 3HD1 LEU 652 HD13 LEU 652 -0.783 3.054 22.402 761 1HD2 LEU 652 HD21 LEU 652 1.850 2.053 21.447 762 2HD2 LEU 652 HD22 LEU 652 0.310 1.678 20.649 763 3HD2 LEU 652 HD23 LEU 652 1.682 2.354 19.721 764 H LEU 653 H LEU 653 -1.458 6.487 18.005 765 HA LEU 653 HA LEU 653 -3.568 5.290 16.484 766 1HB LEU 653 HB2 LEU 653 -2.363 8.092 16.321 767 2HB LEU 653 HB3 LEU 653 -3.799 7.595 15.456 768 HG LEU 653 HG LEU 653 -3.550 7.814 18.478 769 1HD1 LEU 653 HD11 LEU 653 -4.968 9.486 16.363 770 2HD1 LEU 653 HD12 LEU 653 -5.155 9.692 18.109 771 3HD1 LEU 653 HD13 LEU 653 -3.578 9.975 17.361 772 1HD2 LEU 653 HD21 LEU 653 -5.201 6.041 17.756 773 2HD2 LEU 653 HD22 LEU 653 -5.903 7.421 18.610 774 3HD2 LEU 653 HD23 LEU 653 -6.062 7.299 16.849 775 H ALA 654 H ALA 654 -0.616 6.959 15.292 776 HA ALA 654 HA ALA 654 -1.203 6.487 12.565 777 1HB ALA 654 HB1 ALA 654 0.206 8.342 13.417 778 2HB ALA 654 HB2 ALA 654 1.455 7.174 13.906 779 3HB ALA 654 HB3 ALA 654 1.060 7.394 12.186 780 H GLU 655 H GLU 655 0.780 4.497 14.836 781 HA GLU 655 HA GLU 655 1.838 2.739 12.822 782 1HB GLU 655 HB2 GLU 655 2.706 2.932 15.149 783 2HB GLU 655 HB3 GLU 655 1.229 2.157 15.748 784 1HG GLU 655 HG2 GLU 655 1.804 0.138 14.321 785 2HG GLU 655 HG3 GLU 655 3.304 0.944 13.860 786 H LYS 656 H LYS 656 -1.180 2.525 14.790 787 HA LYS 656 HA LYS 656 -2.005 -0.007 13.565 788 1HB LYS 656 HB2 LYS 656 -3.139 1.950 15.530 789 2HB LYS 656 HB3 LYS 656 -4.320 1.085 14.551 790 1HG LYS 656 HG2 LYS 656 -3.855 -0.072 16.651 791 2HG LYS 656 HG3 LYS 656 -3.553 -1.029 15.212 792 1HD LYS 656 HD2 LYS 656 -1.913 -1.583 16.804 793 2HD LYS 656 HD3 LYS 656 -1.097 -0.725 15.503 794 1HE LYS 656 HE2 LYS 656 -1.005 1.324 16.855 795 2HE LYS 656 HE3 LYS 656 -2.014 0.580 18.098 796 1HZ LYS 656 HZ1 LYS 656 0.273 0.455 18.781 797 2HZ LYS 656 HZ2 LYS 656 -0.197 -1.067 18.434 798 3HZ LYS 656 HZ3 LYS 656 0.769 -0.236 17.402 799 H ILE 657 H ILE 657 -2.693 3.391 12.850 800 HA ILE 657 HA ILE 657 -4.374 2.970 10.577 801 HB ILE 657 HB ILE 657 -2.497 5.137 11.515 802 1HG1 ILE 657 HG12 ILE 657 -4.806 4.609 12.535 803 2HG1 ILE 657 HG13 ILE 657 -4.450 6.278 12.133 804 1HG2 ILE 657 HG21 ILE 657 -3.425 6.648 9.709 805 2HG2 ILE 657 HG22 ILE 657 -2.223 5.471 9.195 806 3HG2 ILE 657 HG23 ILE 657 -3.927 5.171 8.849 807 1HD1 ILE 657 HD11 ILE 657 -6.752 5.288 11.446 808 2HD1 ILE 657 HD12 ILE 657 -5.861 6.278 10.277 809 3HD1 ILE 657 HD13 ILE 657 -5.889 4.501 10.131 810 H TYR 658 H TYR 658 -0.798 3.248 10.730 811 HA TYR 658 HA TYR 658 -0.215 2.819 8.011 812 1HB TYR 658 HB2 TYR 658 1.421 3.580 9.620 813 2HB TYR 658 HB3 TYR 658 1.283 2.114 10.554 814 HD1 TYR 658 HD1 TYR 658 2.505 0.121 10.003 815 HD2 TYR 658 HD2 TYR 658 2.574 3.567 7.403 816 HE1 TYR 658 HE1 TYR 658 4.493 -0.807 8.827 817 HE2 TYR 658 HE2 TYR 658 4.555 2.632 6.234 818 HH TYR 658 HH TYR 658 6.070 -0.470 7.191 819 H LYS 659 H LYS 659 -0.462 0.315 10.614 820 HA LYS 659 HA LYS 659 -0.199 -1.966 8.949 821 1HB LYS 659 HB2 LYS 659 -0.132 -2.103 11.385 822 2HB LYS 659 HB3 LYS 659 -1.823 -1.601 11.504 823 1HG LYS 659 HG2 LYS 659 -2.544 -3.654 10.321 824 2HG LYS 659 HG3 LYS 659 -0.850 -4.148 10.131 825 1HD LYS 659 HD2 LYS 659 -0.614 -4.386 12.560 826 2HD LYS 659 HD3 LYS 659 -2.210 -3.674 12.819 827 1HE LYS 659 HE2 LYS 659 -2.386 -6.057 13.099 828 2HE LYS 659 HE3 LYS 659 -3.287 -5.574 11.658 829 1HZ LYS 659 HZ1 LYS 659 -1.533 -6.441 10.271 830 2HZ LYS 659 HZ2 LYS 659 -0.538 -6.703 11.558 831 3HZ LYS 659 HZ3 LYS 659 -1.894 -7.589 11.355 832 H ILE 660 H ILE 660 -3.324 -0.481 9.987 833 HA ILE 660 HA ILE 660 -4.959 -2.224 8.467 834 HB ILE 660 HB ILE 660 -5.458 0.622 9.392 835 1HG1 ILE 660 HG12 ILE 660 -6.554 -1.985 10.550 836 2HG1 ILE 660 HG13 ILE 660 -5.032 -1.306 11.097 837 1HG2 ILE 660 HG21 ILE 660 -7.412 -1.413 8.200 838 2HG2 ILE 660 HG22 ILE 660 -7.902 0.034 9.090 839 3HG2 ILE 660 HG23 ILE 660 -7.027 0.205 7.577 840 1HD1 ILE 660 HD11 ILE 660 -7.768 -0.033 11.357 841 2HD1 ILE 660 HD12 ILE 660 -6.666 -0.552 12.637 842 3HD1 ILE 660 HD13 ILE 660 -6.248 0.853 11.648 843 H GLN 661 H GLN 661 -3.643 0.996 7.477 844 HA GLN 661 HA GLN 661 -4.904 0.910 4.908 845 1HB GLN 661 HB2 GLN 661 -4.139 3.005 5.963 846 2HB GLN 661 HB3 GLN 661 -2.464 2.457 5.859 847 1HG GLN 661 HG2 GLN 661 -2.806 3.985 4.068 848 2HG GLN 661 HG3 GLN 661 -2.696 2.391 3.329 849 1HE2 GLN 661 HE22 GLN 661 -4.788 1.370 2.601 850 2HE2 GLN 661 HE21 GLN 661 -6.103 2.456 2.173 851 H LYS 662 H LYS 662 -1.416 0.272 5.781 852 HA LYS 662 HA LYS 662 -0.930 -0.379 2.987 853 1HB LYS 662 HB2 LYS 662 1.245 -0.142 3.314 854 2HB LYS 662 HB3 LYS 662 0.640 0.937 4.537 855 1HG LYS 662 HG2 LYS 662 1.485 -0.310 6.279 856 2HG LYS 662 HG3 LYS 662 1.233 -1.857 5.505 857 1HD LYS 662 HD2 LYS 662 3.454 0.124 4.944 858 2HD LYS 662 HD3 LYS 662 3.594 -1.420 5.781 859 1HE LYS 662 HE2 LYS 662 3.081 -0.945 2.819 860 2HE LYS 662 HE3 LYS 662 4.518 -1.630 3.566 861 1HZ LYS 662 HZ1 LYS 662 3.157 -3.556 4.237 862 2HZ LYS 662 HZ2 LYS 662 1.837 -2.917 3.471 863 3HZ LYS 662 HZ3 LYS 662 3.138 -3.346 2.608 864 H GLU 663 H GLU 663 -1.831 -2.388 5.617 865 HA GLU 663 HA GLU 663 -0.736 -4.845 4.472 866 1HB GLU 663 HB2 GLU 663 -1.428 -4.550 6.860 867 2HB GLU 663 HB3 GLU 663 -3.120 -4.497 6.339 868 1HG GLU 663 HG2 GLU 663 -2.905 -6.782 5.425 869 2HG GLU 663 HG3 GLU 663 -1.191 -6.811 5.854 870 H LEU 664 H LEU 664 -4.070 -3.381 4.464 871 HA LEU 664 HA LEU 664 -5.065 -5.181 2.465 872 1HB LEU 664 HB2 LEU 664 -6.010 -2.533 3.606 873 2HB LEU 664 HB3 LEU 664 -6.764 -3.228 2.183 874 HG LEU 664 HG LEU 664 -7.129 -5.385 3.510 875 1HD1 LEU 664 HD11 LEU 664 -5.647 -4.947 5.465 876 2HD1 LEU 664 HD12 LEU 664 -6.645 -3.529 5.882 877 3HD1 LEU 664 HD13 LEU 664 -7.335 -5.154 5.956 878 1HD2 LEU 664 HD21 LEU 664 -8.920 -3.807 2.975 879 2HD2 LEU 664 HD22 LEU 664 -9.157 -4.463 4.603 880 3HD2 LEU 664 HD23 LEU 664 -8.499 -2.826 4.397 881 H GLU 665 H GLU 665 -3.476 -1.960 2.123 882 HA GLU 665 HA GLU 665 -3.876 -1.674 -0.635 883 1HB GLU 665 HB2 GLU 665 -2.935 -0.004 0.959 884 2HB GLU 665 HB3 GLU 665 -1.379 -0.849 0.874 885 1HG GLU 665 HG2 GLU 665 -1.177 -0.312 -1.493 886 2HG GLU 665 HG3 GLU 665 -2.839 0.298 -1.545 887 H GLU 666 H GLU 666 -1.757 -4.081 0.856 888 HA GLU 666 HA GLU 666 -0.751 -4.786 -1.874 889 1HB GLU 666 HB2 GLU 666 0.445 -5.129 0.896 890 2HB GLU 666 HB3 GLU 666 0.985 -6.043 -0.505 891 1HG GLU 666 HG2 GLU 666 1.371 -3.843 -1.717 892 2HG GLU 666 HG3 GLU 666 1.057 -3.019 -0.187 893 H LYS 667 H LYS 667 -2.429 -6.093 0.967 894 HA LYS 667 HA LYS 667 -2.586 -8.803 -0.154 895 1HB LYS 667 HB2 LYS 667 -4.149 -7.413 2.063 896 2HB LYS 667 HB3 LYS 667 -4.333 -9.109 1.631 897 1HG LYS 667 HG2 LYS 667 -1.790 -7.817 2.705 898 2HG LYS 667 HG3 LYS 667 -2.902 -8.872 3.579 899 1HD LYS 667 HD2 LYS 667 -2.389 -10.669 1.839 900 2HD LYS 667 HD3 LYS 667 -1.090 -9.635 1.241 901 1HE LYS 667 HE2 LYS 667 -1.330 -10.624 4.117 902 2HE LYS 667 HE3 LYS 667 -0.369 -11.415 2.866 903 1HZ LYS 667 HZ1 LYS 667 0.954 -9.381 2.665 904 2HZ LYS 667 HZ2 LYS 667 0.085 -8.647 3.843 905 3HZ LYS 667 HZ3 LYS 667 1.008 -9.945 4.193 906 H ARG 668 H ARG 668 -4.474 -5.897 -0.601 907 HA ARG 668 HA ARG 668 -6.415 -7.397 -2.338 908 1HB ARG 668 HB2 ARG 668 -7.195 -5.124 -0.472 909 2HB ARG 668 HB3 ARG 668 -8.249 -6.212 -1.378 910 1HG ARG 668 HG2 ARG 668 -7.260 -8.124 0.027 911 2HG ARG 668 HG3 ARG 668 -6.504 -6.875 1.021 912 1HD ARG 668 HD2 ARG 668 -8.420 -7.396 2.206 913 2HD ARG 668 HD3 ARG 668 -8.829 -5.899 1.383 914 HE ARG 668 HE ARG 668 -10.534 -7.010 0.297 915 1HH1 ARG 668 HH21 ARG 668 -8.313 -9.548 1.314 916 2HH1 ARG 668 HH22 ARG 668 -9.413 -10.804 0.824 917 1HH2 ARG 668 HH11 ARG 668 -11.894 -8.643 -0.156 918 2HH2 ARG 668 HH12 ARG 668 -11.366 -10.309 -0.050 919 H ARG 669 H ARG 669 -4.238 -4.796 -2.338 920 HA ARG 669 HA ARG 669 -5.469 -3.715 -4.835 921 1HB ARG 669 HB2 ARG 669 -5.908 -2.424 -2.508 922 2HB ARG 669 HB3 ARG 669 -4.297 -1.800 -2.827 923 1HG ARG 669 HG2 ARG 669 -5.743 -0.194 -3.751 924 2HG ARG 669 HG3 ARG 669 -5.188 -1.104 -5.157 925 1HD ARG 669 HD2 ARG 669 -7.336 -2.513 -4.907 926 2HD ARG 669 HD3 ARG 669 -7.849 -1.308 -3.712 927 HE ARG 669 HE ARG 669 -7.022 -0.054 -6.185 928 1HH1 ARG 669 HH21 ARG 669 -9.764 -1.739 -4.782 929 2HH1 ARG 669 HH22 ARG 669 -10.868 -1.113 -5.974 930 1HH2 ARG 669 HH11 ARG 669 -8.497 0.753 -7.638 931 2HH2 ARG 669 HH12 ARG 669 -10.173 0.312 -7.511 932 H SER 670 H SER 670 -2.953 -5.379 -4.214 933 HA SER 670 HA SER 670 -0.599 -3.932 -4.392 934 1HB SER 670 HB2 SER 670 0.349 -6.024 -5.392 935 2HB SER 670 HB3 SER 670 -0.593 -6.274 -3.923 936 HG SER 670 HG SER 670 -1.149 -7.789 -5.559 937 H ARG 671 H ARG 671 -2.676 -4.800 -7.110 938 HA ARG 671 HA ARG 671 -0.873 -3.955 -9.202 939 1HB ARG 671 HB2 ARG 671 -2.759 -4.215 -10.689 940 2HB ARG 671 HB3 ARG 671 -2.643 -5.585 -9.590 941 1HG ARG 671 HG2 ARG 671 -4.490 -4.694 -8.216 942 2HG ARG 671 HG3 ARG 671 -4.595 -3.254 -9.237 943 1HD ARG 671 HD2 ARG 671 -5.068 -6.117 -10.173 944 2HD ARG 671 HD3 ARG 671 -6.329 -4.969 -9.738 945 HE ARG 671 HE ARG 671 -5.682 -3.536 -11.600 946 1HH1 ARG 671 HH22 ARG 671 -4.419 -6.803 -11.857 947 2HH1 ARG 671 HH21 ARG 671 -4.119 -6.638 -13.564 948 1HH2 ARG 671 HH11 ARG 671 -5.254 -3.401 -13.759 949 2HH2 ARG 671 HH12 ARG 671 -4.577 -4.762 -14.603 950 H LEU 672 H LEU 672 -2.600 -2.028 -7.056 951 HA LEU 672 HA LEU 672 -3.541 0.059 -7.064 952 1HB LEU 672 HB2 LEU 672 -0.742 0.540 -8.137 953 2HB LEU 672 HB3 LEU 672 -1.760 1.795 -7.449 954 HG LEU 672 HG LEU 672 -0.802 -0.656 -5.905 955 1HD1 LEU 672 HD11 LEU 672 0.729 0.924 -4.805 956 2HD1 LEU 672 HD12 LEU 672 1.053 0.830 -6.542 957 3HD1 LEU 672 HD13 LEU 672 0.177 2.229 -5.880 958 1HD2 LEU 672 HD21 LEU 672 -1.510 0.661 -3.925 959 2HD2 LEU 672 HD22 LEU 672 -2.171 1.920 -4.993 960 3HD2 LEU 672 HD23 LEU 672 -2.881 0.290 -4.967 961 1H SER 839 H1 SER 839 7.646 -11.054 22.020 962 2H SER 839 H2 SER 839 8.161 -9.522 22.296 963 3H SER 839 H3 SER 839 6.785 -10.070 23.008 964 HA SER 839 HA SER 839 6.217 -8.612 21.221 965 1HB SER 839 HB2 SER 839 7.749 -10.558 19.452 966 2HB SER 839 HB3 SER 839 6.884 -9.095 18.936 967 HG SER 839 HG SER 839 9.132 -8.719 19.203 968 H ASP 840 H ASP 840 4.439 -9.031 19.683 969 HA ASP 840 HA ASP 840 3.307 -11.763 19.649 970 1HB ASP 840 HB2 ASP 840 1.274 -11.228 20.644 971 2HB ASP 840 HB3 ASP 840 2.456 -10.507 21.719 972 H ALA 841 H ALA 841 1.135 -11.683 18.383 973 HA ALA 841 HA ALA 841 1.265 -9.853 16.041 974 1HB ALA 841 HB1 ALA 841 1.182 -12.901 15.903 975 2HB ALA 841 HB2 ALA 841 1.161 -11.781 14.523 976 3HB ALA 841 HB3 ALA 841 2.601 -11.889 15.546 977 H GLY 842 H GLY 842 -0.601 -9.927 18.331 978 1HA GLY 842 HA2 GLY 842 -3.074 -11.211 17.695 979 2HA GLY 842 HA3 GLY 842 -2.862 -9.840 18.778 980 H ASN 843 H ASN 843 -5.096 -10.279 17.073 981 HA ASN 843 HA ASN 843 -4.944 -8.707 14.664 982 1HB ASN 843 HB2 ASN 843 -6.535 -10.608 15.101 983 2HB ASN 843 HB3 ASN 843 -7.382 -9.589 16.268 984 1HD2 ASN 843 HD22 ASN 843 -9.328 -9.904 14.918 985 2HD2 ASN 843 HD21 ASN 843 -9.491 -8.911 13.465 986 H ILE 844 H ILE 844 -6.116 -6.818 14.186 987 HA ILE 844 HA ILE 844 -6.656 -4.851 16.367 988 HB ILE 844 HB ILE 844 -4.809 -4.698 14.017 989 1HG1 ILE 844 HG12 ILE 844 -3.947 -4.900 16.311 990 2HG1 ILE 844 HG13 ILE 844 -3.386 -3.462 15.483 991 1HG2 ILE 844 HG21 ILE 844 -4.806 -2.266 13.867 992 2HG2 ILE 844 HG22 ILE 844 -6.314 -2.966 13.288 993 3HG2 ILE 844 HG23 ILE 844 -6.270 -2.183 14.876 994 1HD1 ILE 844 HD11 ILE 844 -5.524 -3.547 17.665 995 2HD1 ILE 844 HD12 ILE 844 -3.876 -2.923 17.799 996 3HD1 ILE 844 HD13 ILE 844 -5.049 -2.081 16.782 997 H LEU 845 H LEU 845 -7.869 -6.457 13.620 998 HA LEU 845 HA LEU 845 -9.969 -4.385 13.107 999 1HB LEU 845 HB2 LEU 845 -8.216 -4.473 11.419 1000 2HB LEU 845 HB3 LEU 845 -8.435 -6.208 11.240 1001 HG LEU 845 HG LEU 845 -10.693 -5.824 10.303 1002 1HD1 LEU 845 HD11 LEU 845 -11.348 -3.669 11.235 1003 2HD1 LEU 845 HD12 LEU 845 -9.980 -2.873 10.425 1004 3HD1 LEU 845 HD13 LEU 845 -11.302 -3.569 9.458 1005 1HD2 LEU 845 HD21 LEU 845 -8.471 -4.269 8.923 1006 2HD2 LEU 845 HD22 LEU 845 -8.697 -6.030 8.858 1007 3HD2 LEU 845 HD23 LEU 845 -9.908 -4.957 8.137 1008 HA PRO 846 HA PRO 846 -12.228 -8.027 14.926 1009 1HB PRO 846 HB2 PRO 846 -14.202 -5.717 14.761 1010 2HB PRO 846 HB3 PRO 846 -14.109 -7.011 16.013 1011 1HG PRO 846 HG2 PRO 846 -13.058 -4.609 16.518 1012 2HG PRO 846 HG3 PRO 846 -12.022 -6.052 16.828 1013 1HD PRO 846 HD2 PRO 846 -12.101 -4.286 14.357 1014 2HD PRO 846 HD3 PRO 846 -10.685 -4.780 15.339 1015 H SER 847 H SER 847 -13.685 -9.468 14.009 1016 HA SER 847 HA SER 847 -13.663 -9.747 11.280 1017 1HB SER 847 HB2 SER 847 -15.380 -11.525 11.613 1018 2HB SER 847 HB3 SER 847 -13.995 -11.613 12.714 1019 HG SER 847 HG SER 847 -15.996 -11.900 13.814 1020 H ASP 848 H ASP 848 -16.449 -8.384 13.093 1021 HA ASP 848 HA ASP 848 -18.218 -8.219 10.867 1022 1HB ASP 848 HB2 ASP 848 -18.886 -8.016 13.250 1023 2HB ASP 848 HB3 ASP 848 -18.107 -6.435 13.333 1024 H ILE 849 H ILE 849 -15.842 -5.829 12.077 1025 HA ILE 849 HA ILE 849 -16.523 -3.865 9.997 1026 HB ILE 849 HB ILE 849 -14.224 -3.889 12.030 1027 1HG1 ILE 849 HG12 ILE 849 -15.807 -1.768 12.669 1028 2HG1 ILE 849 HG13 ILE 849 -17.051 -2.781 11.977 1029 1HG2 ILE 849 HG21 ILE 849 -13.945 -1.527 11.377 1030 2HG2 ILE 849 HG22 ILE 849 -13.608 -2.592 10.022 1031 3HG2 ILE 849 HG23 ILE 849 -15.164 -1.734 10.097 1032 1HD1 ILE 849 HD11 ILE 849 -15.196 -3.519 14.288 1033 2HD1 ILE 849 HD12 ILE 849 -16.898 -3.037 14.416 1034 3HD1 ILE 849 HD13 ILE 849 -16.476 -4.571 13.641 1035 H MET 850 H MET 850 -14.001 -6.314 10.567 1036 HA MET 850 HA MET 850 -12.295 -5.806 8.417 1037 1HB MET 850 HB2 MET 850 -12.032 -7.537 10.256 1038 2HB MET 850 HB3 MET 850 -13.131 -8.581 9.373 1039 1HG MET 850 HG2 MET 850 -11.606 -8.769 7.525 1040 2HG MET 850 HG3 MET 850 -10.613 -7.435 8.110 1041 1HE MET 850 HE1 MET 850 -8.040 -10.273 8.528 1042 2HE MET 850 HE2 MET 850 -9.175 -10.021 7.185 1043 3HE MET 850 HE3 MET 850 -8.364 -8.628 7.940 1044 H ASP 851 H ASP 851 -15.152 -8.020 8.355 1045 HA ASP 851 HA ASP 851 -15.083 -8.754 5.673 1046 1HB ASP 851 HB2 ASP 851 -16.538 -9.755 7.351 1047 2HB ASP 851 HB3 ASP 851 -17.450 -8.255 7.517 1048 H PHE 852 H PHE 852 -16.553 -5.769 6.997 1049 HA PHE 852 HA PHE 852 -17.706 -4.849 4.531 1050 1HB PHE 852 HB2 PHE 852 -18.453 -4.069 6.695 1051 2HB PHE 852 HB3 PHE 852 -16.861 -3.454 7.088 1052 HD1 PHE 852 HD1 PHE 852 -16.857 -1.155 7.232 1053 HD2 PHE 852 HD2 PHE 852 -19.190 -3.025 4.124 1054 HE1 PHE 852 HE1 PHE 852 -17.599 1.070 6.446 1055 HE2 PHE 852 HE2 PHE 852 -19.942 -0.785 3.349 1056 HZ PHE 852 HZ PHE 852 -19.166 1.265 4.525 1057 H VAL 853 H VAL 853 -14.487 -4.163 6.045 1058 HA VAL 853 HA VAL 853 -13.661 -2.474 3.814 1059 HB VAL 853 HB VAL 853 -11.734 -3.819 5.762 1060 1HG1 VAL 853 HG11 VAL 853 -10.390 -1.800 5.274 1061 2HG1 VAL 853 HG12 VAL 853 -10.841 -2.559 3.732 1062 3HG1 VAL 853 HG13 VAL 853 -11.697 -1.122 4.287 1063 1HG2 VAL 853 HG21 VAL 853 -11.816 -1.773 7.093 1064 2HG2 VAL 853 HG22 VAL 853 -13.247 -1.225 6.175 1065 3HG2 VAL 853 HG23 VAL 853 -13.321 -2.680 7.187 1066 H LEU 854 H LEU 854 -13.227 -5.955 4.580 1067 HA LEU 854 HA LEU 854 -11.485 -6.585 2.421 1068 1HB LEU 854 HB2 LEU 854 -13.610 -8.385 3.663 1069 2HB LEU 854 HB3 LEU 854 -12.318 -8.896 2.600 1070 HG LEU 854 HG LEU 854 -12.165 -8.125 5.486 1071 1HD1 LEU 854 HD11 LEU 854 -12.595 -10.449 4.843 1072 2HD1 LEU 854 HD12 LEU 854 -11.079 -10.469 3.915 1073 3HD1 LEU 854 HD13 LEU 854 -11.045 -10.265 5.677 1074 1HD2 LEU 854 HD21 LEU 854 -9.780 -8.169 5.496 1075 2HD2 LEU 854 HD22 LEU 854 -9.725 -8.383 3.730 1076 3HD2 LEU 854 HD23 LEU 854 -10.314 -6.856 4.448 1077 H LYS 855 H LYS 855 -15.059 -6.456 2.496 1078 HA LYS 855 HA LYS 855 -15.474 -7.503 -0.149 1079 1HB LYS 855 HB2 LYS 855 -17.169 -7.442 1.649 1080 2HB LYS 855 HB3 LYS 855 -17.211 -5.671 1.577 1081 1HG LYS 855 HG2 LYS 855 -18.067 -5.781 -0.748 1082 2HG LYS 855 HG3 LYS 855 -17.963 -7.557 -0.710 1083 1HD LYS 855 HD2 LYS 855 -19.618 -7.607 1.142 1084 2HD LYS 855 HD3 LYS 855 -19.703 -5.830 1.113 1085 1HE LYS 855 HE2 LYS 855 -20.474 -5.912 -1.254 1086 2HE LYS 855 HE3 LYS 855 -20.397 -7.680 -1.218 1087 1HZ LYS 855 HZ1 LYS 855 -22.102 -7.653 0.529 1088 2HZ LYS 855 HZ2 LYS 855 -22.176 -6.016 0.492 1089 3HZ LYS 855 HZ3 LYS 855 -22.653 -6.888 -0.805 1090 H ASN 856 H ASN 856 -15.131 -4.168 1.020 1091 HA ASN 856 HA ASN 856 -15.867 -2.985 -1.520 1092 1HB ASN 856 HB2 ASN 856 -14.946 -1.979 1.187 1093 2HB ASN 856 HB3 ASN 856 -15.033 -0.892 -0.194 1094 1HD2 ASN 856 HD22 ASN 856 -16.938 -2.619 2.160 1095 2HD2 ASN 856 HD21 ASN 856 -18.488 -2.010 1.577 1096 H THR 857 H THR 857 -12.702 -3.493 0.068 1097 HA THR 857 HA THR 857 -11.369 -1.607 -1.631 1098 HB THR 857 HB THR 857 -9.277 -2.460 -0.562 1099 HG1 THR 857 HG1 THR 857 -10.993 -3.877 1.159 1100 1HG2 THR 857 HG21 THR 857 -10.539 -0.574 0.375 1101 2HG2 THR 857 HG22 THR 857 -11.598 -1.670 1.271 1102 3HG2 THR 857 HG23 THR 857 -9.863 -1.578 1.670 1103 HA PRO 858 HA PRO 858 -9.489 -5.460 -3.999 1104 1HB PRO 858 HB2 PRO 858 -12.180 -6.711 -4.562 1105 2HB PRO 858 HB3 PRO 858 -10.564 -7.490 -4.496 1106 1HG PRO 858 HG2 PRO 858 -12.233 -7.693 -2.392 1107 2HG PRO 858 HG3 PRO 858 -10.497 -7.309 -2.118 1108 1HD PRO 858 HD2 PRO 858 -12.856 -5.413 -2.193 1109 2HD PRO 858 HD3 PRO 858 -11.516 -5.493 -1.012 1110 H SER 859 H SER 859 -9.686 -6.018 -6.340 1111 HA SER 859 HA SER 859 -11.533 -4.392 -7.985 1112 1HB SER 859 HB2 SER 859 -9.377 -3.112 -7.742 1113 2HB SER 859 HB3 SER 859 -8.535 -4.475 -8.503 1114 HG SER 859 HG SER 859 -9.168 -2.812 -10.003 1115 H MET 860 H MET 860 -11.743 -5.246 -10.163 1116 HA MET 860 HA MET 860 -10.954 -8.082 -10.592 1117 1HB MET 860 HB2 MET 860 -13.840 -7.122 -10.305 1118 2HB MET 860 HB3 MET 860 -13.360 -8.705 -10.920 1119 1HG MET 860 HG2 MET 860 -12.225 -9.186 -8.755 1120 2HG MET 860 HG3 MET 860 -12.857 -7.662 -8.118 1121 1HE MET 860 HE1 MET 860 -13.849 -9.009 -6.060 1122 2HE MET 860 HE2 MET 860 -14.936 -10.406 -6.229 1123 3HE MET 860 HE3 MET 860 -13.243 -10.531 -6.755 1124 H GLN 861 H GLN 861 -11.869 -8.932 -12.654 1125 HA GLN 861 HA GLN 861 -12.374 -6.947 -14.808 1126 1HB GLN 861 HB2 GLN 861 -10.235 -9.124 -14.888 1127 2HB GLN 861 HB3 GLN 861 -10.758 -8.157 -16.270 1128 1HG GLN 861 HG2 GLN 861 -10.019 -6.088 -15.077 1129 2HG GLN 861 HG3 GLN 861 -9.355 -7.090 -13.783 1130 1HE2 GLN 861 HE22 GLN 861 -8.129 -5.257 -16.035 1131 2HE2 GLN 861 HE21 GLN 861 -6.862 -6.293 -16.680 1132 H ALA 862 H ALA 862 -13.052 -8.116 -16.860 1133 HA ALA 862 HA ALA 862 -14.347 -10.748 -16.471 1134 1HB ALA 862 HB1 ALA 862 -16.012 -9.081 -15.698 1135 2HB ALA 862 HB2 ALA 862 -15.873 -8.219 -17.247 1136 3HB ALA 862 HB3 ALA 862 -16.537 -9.867 -17.196 1137 H LEU 863 H LEU 863 -15.275 -11.594 -18.478 1138 HA LEU 863 HA LEU 863 -14.356 -10.574 -21.050 1139 1HB LEU 863 HB2 LEU 863 -12.858 -12.283 -21.616 1140 2HB LEU 863 HB3 LEU 863 -12.330 -11.711 -20.051 1141 HG LEU 863 HG LEU 863 -13.858 -14.303 -20.596 1142 1HD1 LEU 863 HD11 LEU 863 -11.734 -15.389 -20.037 1143 2HD1 LEU 863 HD12 LEU 863 -11.531 -14.292 -21.410 1144 3HD1 LEU 863 HD13 LEU 863 -10.964 -13.804 -19.798 1145 1HD2 LEU 863 HD21 LEU 863 -14.409 -13.608 -18.330 1146 2HD2 LEU 863 HD22 LEU 863 -13.225 -14.907 -18.247 1147 3HD2 LEU 863 HD23 LEU 863 -12.701 -13.228 -17.988 1148 H GLY 864 H GLY 864 -14.895 -12.214 -22.839 1149 1HA GLY 864 HA2 GLY 864 -16.815 -14.259 -22.364 1150 2HA GLY 864 HA3 GLY 864 -17.618 -12.799 -22.965 1151 H GLU 865 H GLU 865 -14.363 -13.869 -23.949 1152 HA GLU 865 HA GLU 865 -15.059 -13.922 -26.777 1153 1HB GLU 865 HB2 GLU 865 -12.736 -14.522 -27.123 1154 2HB GLU 865 HB3 GLU 865 -12.875 -13.149 -26.033 1155 1HG GLU 865 HG2 GLU 865 -12.447 -14.622 -24.086 1156 2HG GLU 865 HG3 GLU 865 -12.366 -16.027 -25.153 1157 H SER 866 H SER 866 -14.416 -15.816 -28.167 1158 HA SER 866 HA SER 866 -14.838 -18.498 -27.011 1159 1HB SER 866 HB2 SER 866 -17.113 -17.728 -27.455 1160 2HB SER 866 HB3 SER 866 -16.668 -17.262 -29.108 1161 HG SER 866 HG SER 866 -17.720 -19.359 -28.870 1162 HA PRO 867 HA PRO 867 -12.071 -19.341 -30.503 1163 1HB PRO 867 HB2 PRO 867 -11.926 -22.052 -30.404 1164 2HB PRO 867 HB3 PRO 867 -11.230 -21.018 -29.120 1165 1HG PRO 867 HG2 PRO 867 -13.940 -22.394 -29.129 1166 2HG PRO 867 HG3 PRO 867 -12.684 -22.439 -27.848 1167 1HD PRO 867 HD2 PRO 867 -14.790 -20.705 -27.765 1168 2HD PRO 867 HD3 PRO 867 -13.173 -20.244 -27.160 1169 H GLU 868 H GLU 868 -15.425 -20.076 -30.449 1170 HA GLU 868 HA GLU 868 -15.714 -21.621 -32.836 1171 1HB GLU 868 HB2 GLU 868 -17.409 -21.331 -31.018 1172 2HB GLU 868 HB3 GLU 868 -17.643 -19.659 -31.527 1173 1HG GLU 868 HG2 GLU 868 -19.440 -21.072 -32.344 1174 2HG GLU 868 HG3 GLU 868 -18.535 -20.416 -33.695 1175 H SER 869 H SER 869 -16.372 -21.035 -34.931 1176 HA SER 869 HA SER 869 -16.426 -18.257 -35.877 1177 1HB SER 869 HB2 SER 869 -14.146 -20.122 -36.647 1178 2HB SER 869 HB3 SER 869 -14.647 -18.745 -37.647 1179 HG SER 869 HG SER 869 -14.253 -18.310 -34.901 Start of MODEL 2 1 1H LYS 291 H1 LYS 291 9.516 3.183 -2.069 2 2H LYS 291 H2 LYS 291 9.638 4.791 -1.814 3 3H LYS 291 H3 LYS 291 10.611 3.753 -0.992 4 HA LYS 291 HA LYS 291 7.661 3.949 -0.713 5 1HB LYS 291 HB2 LYS 291 9.678 2.050 0.531 6 2HB LYS 291 HB3 LYS 291 8.193 2.471 1.381 7 1HG LYS 291 HG2 LYS 291 6.805 1.665 -0.443 8 2HG LYS 291 HG3 LYS 291 8.238 1.292 -1.413 9 1HD LYS 291 HD2 LYS 291 8.986 -0.340 0.310 10 2HD LYS 291 HD3 LYS 291 7.541 0.028 1.278 11 1HE LYS 291 HE2 LYS 291 6.099 -0.726 -0.606 12 2HE LYS 291 HE3 LYS 291 7.539 -1.089 -1.566 13 1HZ LYS 291 HZ1 LYS 291 8.164 -2.744 0.109 14 2HZ LYS 291 HZ2 LYS 291 6.839 -2.410 1.005 15 3HZ LYS 291 HZ3 LYS 291 6.680 -3.081 -0.473 16 H GLU 292 H GLU 292 10.737 4.395 0.993 17 HA GLU 292 HA GLU 292 10.164 5.245 3.406 18 1HB GLU 292 HB2 GLU 292 12.227 6.657 1.672 19 2HB GLU 292 HB3 GLU 292 12.226 6.492 3.424 20 1HG GLU 292 HG2 GLU 292 13.698 4.835 2.927 21 2HG GLU 292 HG3 GLU 292 12.224 3.882 2.890 22 H LYS 293 H LYS 293 10.219 7.741 0.786 23 HA LYS 293 HA LYS 293 9.395 9.899 2.461 24 1HB LYS 293 HB2 LYS 293 8.915 11.124 0.443 25 2HB LYS 293 HB3 LYS 293 10.435 10.252 0.284 26 1HG LYS 293 HG2 LYS 293 9.281 8.513 -1.096 27 2HG LYS 293 HG3 LYS 293 7.776 9.417 -0.978 28 1HD LYS 293 HD2 LYS 293 10.335 10.567 -2.170 29 2HD LYS 293 HD3 LYS 293 9.095 9.717 -3.108 30 1HE LYS 293 HE2 LYS 293 7.386 11.311 -2.300 31 2HE LYS 293 HE3 LYS 293 8.631 12.234 -1.448 32 1HZ LYS 293 HZ1 LYS 293 9.707 12.655 -3.594 33 2HZ LYS 293 HZ2 LYS 293 8.560 11.805 -4.391 34 3HZ LYS 293 HZ3 LYS 293 8.169 13.195 -3.633 35 H ARG 294 H ARG 294 7.331 7.640 0.650 36 HA ARG 294 HA ARG 294 4.871 9.015 1.467 37 1HB ARG 294 HB2 ARG 294 5.046 7.746 -0.638 38 2HB ARG 294 HB3 ARG 294 5.293 6.239 0.243 39 1HG ARG 294 HG2 ARG 294 2.833 7.921 0.831 40 2HG ARG 294 HG3 ARG 294 2.910 7.006 -0.669 41 1HD ARG 294 HD2 ARG 294 3.262 4.914 0.561 42 2HD ARG 294 HD3 ARG 294 3.155 5.745 2.113 43 HE ARG 294 HE ARG 294 0.840 6.512 1.330 44 1HH1 ARG 294 HH21 ARG 294 2.110 3.433 0.225 45 2HH1 ARG 294 HH22 ARG 294 0.507 2.711 0.161 46 1HH2 ARG 294 HH11 ARG 294 -1.164 5.536 1.060 47 2HH2 ARG 294 HH12 ARG 294 -1.226 3.856 0.550 48 H ILE 295 H ILE 295 6.791 6.257 2.696 49 HA ILE 295 HA ILE 295 4.899 5.412 4.690 50 HB ILE 295 HB ILE 295 7.940 5.346 4.796 51 1HG1 ILE 295 HG12 ILE 295 7.625 3.939 3.083 52 2HG1 ILE 295 HG13 ILE 295 7.438 2.801 4.381 53 1HG2 ILE 295 HG21 ILE 295 7.469 3.466 6.504 54 2HG2 ILE 295 HG22 ILE 295 7.316 5.140 7.019 55 3HG2 ILE 295 HG23 ILE 295 5.861 4.217 6.657 56 1HD1 ILE 295 HD11 ILE 295 5.794 2.303 2.724 57 2HD1 ILE 295 HD12 ILE 295 4.894 3.041 4.073 58 3HD1 ILE 295 HD13 ILE 295 5.261 3.980 2.609 59 H LYS 296 H LYS 296 7.578 7.815 4.932 60 HA LYS 296 HA LYS 296 6.760 8.689 7.538 61 1HB LYS 296 HB2 LYS 296 9.052 9.027 6.429 62 2HB LYS 296 HB3 LYS 296 8.317 10.320 5.482 63 1HG LYS 296 HG2 LYS 296 9.456 11.308 7.362 64 2HG LYS 296 HG3 LYS 296 7.724 11.493 7.640 65 1HD LYS 296 HD2 LYS 296 7.815 9.458 9.150 66 2HD LYS 296 HD3 LYS 296 9.568 9.406 8.903 67 1HE LYS 296 HE2 LYS 296 9.762 11.657 9.921 68 2HE LYS 296 HE3 LYS 296 7.998 11.747 10.068 69 1HZ LYS 296 HZ1 LYS 296 8.925 11.020 12.162 70 2HZ LYS 296 HZ2 LYS 296 8.106 9.751 11.507 71 3HZ LYS 296 HZ3 LYS 296 9.739 9.787 11.459 72 H GLU 297 H GLU 297 5.876 9.912 4.303 73 HA GLU 297 HA GLU 297 4.299 12.120 5.068 74 1HB GLU 297 HB2 GLU 297 4.968 11.459 2.745 75 2HB GLU 297 HB3 GLU 297 3.821 10.134 2.822 76 1HG GLU 297 HG2 GLU 297 1.963 11.789 3.073 77 2HG GLU 297 HG3 GLU 297 3.177 13.072 2.980 78 H LEU 298 H LEU 298 3.208 8.702 4.667 79 HA LEU 298 HA LEU 298 0.499 9.091 5.424 80 1HB LEU 298 HB2 LEU 298 1.495 7.090 4.238 81 2HB LEU 298 HB3 LEU 298 2.278 6.640 5.749 82 HG LEU 298 HG LEU 298 -0.130 6.594 6.766 83 1HD1 LEU 298 HD11 LEU 298 -1.921 6.085 5.168 84 2HD1 LEU 298 HD12 LEU 298 -1.291 7.711 4.876 85 3HD1 LEU 298 HD13 LEU 298 -0.819 6.371 3.805 86 1HD2 LEU 298 HD21 LEU 298 1.182 4.618 6.448 87 2HD2 LEU 298 HD22 LEU 298 -0.484 4.293 5.945 88 3HD2 LEU 298 HD23 LEU 298 0.776 4.555 4.711 89 H GLU 299 H GLU 299 3.359 8.223 7.381 90 HA GLU 299 HA GLU 299 1.989 7.982 9.889 91 1HB GLU 299 HB2 GLU 299 4.236 7.022 9.345 92 2HB GLU 299 HB3 GLU 299 4.890 8.653 9.180 93 1HG GLU 299 HG2 GLU 299 4.390 9.111 11.561 94 2HG GLU 299 HG3 GLU 299 3.807 7.453 11.756 95 H LEU 300 H LEU 300 3.657 10.751 8.355 96 HA LEU 300 HA LEU 300 3.294 12.588 10.510 97 1HB LEU 300 HB2 LEU 300 5.083 12.711 8.834 98 2HB LEU 300 HB3 LEU 300 3.904 12.894 7.537 99 HG LEU 300 HG LEU 300 3.299 15.141 8.371 100 1HD1 LEU 300 HD11 LEU 300 4.778 16.237 10.050 101 2HD1 LEU 300 HD12 LEU 300 3.822 14.937 10.756 102 3HD1 LEU 300 HD13 LEU 300 5.540 14.665 10.392 103 1HD2 LEU 300 HD21 LEU 300 5.391 16.230 7.703 104 2HD2 LEU 300 HD22 LEU 300 6.285 14.713 7.953 105 3HD2 LEU 300 HD23 LEU 300 5.057 14.830 6.672 106 H LEU 301 H LEU 301 1.191 11.793 7.752 107 HA LEU 301 HA LEU 301 -0.401 14.032 7.510 108 1HB LEU 301 HB2 LEU 301 -0.872 11.084 7.214 109 2HB LEU 301 HB3 LEU 301 -2.312 12.066 7.310 110 HG LEU 301 HG LEU 301 -0.113 12.527 5.258 111 1HD1 LEU 301 HD11 LEU 301 -2.848 11.186 4.988 112 2HD1 LEU 301 HD12 LEU 301 -1.699 11.507 3.668 113 3HD1 LEU 301 HD13 LEU 301 -1.285 10.353 4.943 114 1HD2 LEU 301 HD21 LEU 301 -1.458 14.566 5.698 115 2HD2 LEU 301 HD22 LEU 301 -1.847 13.882 4.118 116 3HD2 LEU 301 HD23 LEU 301 -2.954 13.629 5.484 117 H LEU 302 H LEU 302 -0.771 11.577 10.056 118 HA LEU 302 HA LEU 302 -3.015 12.836 11.413 119 1HB LEU 302 HB2 LEU 302 -0.912 10.750 12.064 120 2HB LEU 302 HB3 LEU 302 -1.960 11.347 13.343 121 HG LEU 302 HG LEU 302 -3.073 10.116 10.830 122 1HD1 LEU 302 HD11 LEU 302 -2.337 9.033 13.590 123 2HD1 LEU 302 HD12 LEU 302 -3.405 8.178 12.470 124 3HD1 LEU 302 HD13 LEU 302 -1.731 8.528 11.993 125 1HD2 LEU 302 HD21 LEU 302 -4.300 10.643 13.576 126 2HD2 LEU 302 HD22 LEU 302 -4.702 11.540 12.086 127 3HD2 LEU 302 HD23 LEU 302 -5.083 9.818 12.217 128 H MET 303 H MET 303 0.499 12.825 12.067 129 HA MET 303 HA MET 303 0.410 14.342 14.424 130 1HB MET 303 HB2 MET 303 2.689 14.067 12.451 131 2HB MET 303 HB3 MET 303 2.828 14.633 14.125 132 1HG MET 303 HG2 MET 303 1.938 12.461 14.919 133 2HG MET 303 HG3 MET 303 1.826 11.900 13.248 134 1HE MET 303 HE1 MET 303 3.118 9.933 14.949 135 2HE MET 303 HE2 MET 303 3.086 9.924 13.169 136 3HE MET 303 HE3 MET 303 4.606 9.581 14.033 137 H SER 304 H SER 304 0.551 15.462 11.089 138 HA SER 304 HA SER 304 1.299 18.173 11.518 139 1HB SER 304 HB2 SER 304 1.262 16.841 9.353 140 2HB SER 304 HB3 SER 304 -0.482 17.149 9.276 141 HG SER 304 HG SER 304 0.057 19.426 9.368 142 H THR 305 H THR 305 -1.760 16.648 12.204 143 HA THR 305 HA THR 305 -3.622 18.696 11.651 144 HB THR 305 HB THR 305 -3.754 16.813 14.018 145 HG1 THR 305 HG1 THR 305 -3.479 15.466 12.423 146 1HG2 THR 305 HG21 THR 305 -6.185 16.849 13.519 147 2HG2 THR 305 HG22 THR 305 -5.576 18.434 13.997 148 3HG2 THR 305 HG23 THR 305 -5.895 18.103 12.283 149 H GLU 306 H GLU 306 -1.654 18.310 14.664 150 HA GLU 306 HA GLU 306 -2.973 20.477 15.984 151 1HB GLU 306 HB2 GLU 306 -0.308 19.108 16.450 152 2HB GLU 306 HB3 GLU 306 -0.800 20.522 17.390 153 1HG GLU 306 HG2 GLU 306 -2.961 19.345 17.949 154 2HG GLU 306 HG3 GLU 306 -2.277 17.881 17.240 155 H ASN 307 H ASN 307 -0.580 20.585 13.440 156 HA ASN 307 HA ASN 307 0.218 23.372 14.024 157 1HB ASN 307 HB2 ASN 307 1.777 21.714 12.946 158 2HB ASN 307 HB3 ASN 307 0.709 21.666 11.542 159 1HD2 ASN 307 HD22 ASN 307 3.044 23.631 13.328 160 2HD2 ASN 307 HD21 ASN 307 3.192 24.856 12.079 161 H GLU 308 H GLU 308 -1.922 21.617 11.738 162 HA GLU 308 HA GLU 308 -2.819 23.879 10.243 163 1HB GLU 308 HB2 GLU 308 -4.154 21.217 10.881 164 2HB GLU 308 HB3 GLU 308 -4.814 22.387 9.745 165 1HG GLU 308 HG2 GLU 308 -2.052 21.126 9.459 166 2HG GLU 308 HG3 GLU 308 -3.512 20.496 8.713 167 H LEU 309 H LEU 309 -4.266 22.327 13.119 168 HA LEU 309 HA LEU 309 -6.593 23.950 13.246 169 1HB LEU 309 HB2 LEU 309 -5.187 21.980 15.021 170 2HB LEU 309 HB3 LEU 309 -6.356 23.035 15.789 171 HG LEU 309 HG LEU 309 -8.159 22.291 14.405 172 1HD1 LEU 309 HD11 LEU 309 -7.925 20.443 12.762 173 2HD1 LEU 309 HD12 LEU 309 -7.106 21.914 12.232 174 3HD1 LEU 309 HD13 LEU 309 -6.160 20.566 12.893 175 1HD2 LEU 309 HD21 LEU 309 -7.582 20.924 16.364 176 2HD2 LEU 309 HD22 LEU 309 -8.230 19.909 15.062 177 3HD2 LEU 309 HD23 LEU 309 -6.479 19.946 15.371 178 H LYS 310 H LYS 310 -3.420 24.912 14.124 179 HA LYS 310 HA LYS 310 -4.134 26.983 16.057 180 1HB LYS 310 HB2 LYS 310 -1.719 26.598 14.241 181 2HB LYS 310 HB3 LYS 310 -1.863 27.906 15.418 182 1HG LYS 310 HG2 LYS 310 -2.002 26.363 17.272 183 2HG LYS 310 HG3 LYS 310 -2.064 24.972 16.185 184 1HD LYS 310 HD2 LYS 310 0.208 25.580 15.318 185 2HD LYS 310 HD3 LYS 310 0.302 26.874 16.519 186 1HE LYS 310 HE2 LYS 310 -0.090 23.907 17.146 187 2HE LYS 310 HE3 LYS 310 1.474 24.726 17.150 188 1HZ LYS 310 HZ1 LYS 310 0.631 26.188 18.918 189 2HZ LYS 310 HZ2 LYS 310 -0.798 25.390 18.945 190 3HZ LYS 310 HZ3 LYS 310 0.573 24.625 19.382 191 H GLY 311 H GLY 311 -4.636 26.732 12.674 192 1HA GLY 311 HA2 GLY 311 -6.236 28.297 11.728 193 2HA GLY 311 HA3 GLY 311 -5.426 29.633 12.543 194 H GLN 312 H GLN 312 -3.984 26.958 10.628 195 HA GLN 312 HA GLN 312 -2.063 28.590 9.381 196 1HB GLN 312 HB2 GLN 312 -3.113 25.800 9.012 197 2HB GLN 312 HB3 GLN 312 -2.160 26.451 7.688 198 1HG GLN 312 HG2 GLN 312 -1.157 26.518 10.561 199 2HG GLN 312 HG3 GLN 312 -0.883 25.164 9.467 200 1HE2 GLN 312 HE22 GLN 312 1.418 25.542 9.643 201 2HE2 GLN 312 HE21 GLN 312 2.154 26.849 8.701 202 H GLN 313 H GLN 313 -1.645 29.176 7.272 203 HA GLN 313 HA GLN 313 -3.914 29.489 5.384 204 1HB GLN 313 HB2 GLN 313 -3.837 31.842 5.307 205 2HB GLN 313 HB3 GLN 313 -3.955 31.415 7.002 206 1HG GLN 313 HG2 GLN 313 -1.452 32.359 5.526 207 2HG GLN 313 HG3 GLN 313 -2.420 33.295 6.647 208 1HE2 GLN 313 HE22 GLN 313 0.433 31.531 6.447 209 2HE2 GLN 313 HE21 GLN 313 0.586 31.126 8.149 210 H ALA 314 H ALA 314 -0.671 28.697 5.663 211 HA ALA 314 HA ALA 314 -0.226 29.005 2.778 212 1HB ALA 314 HB1 ALA 314 1.646 30.310 4.810 213 2HB ALA 314 HB2 ALA 314 1.890 30.233 3.055 214 3HB ALA 314 HB3 ALA 314 0.550 31.184 3.710 215 H LEU 315 H LEU 315 1.892 28.050 2.132 216 HA LEU 315 HA LEU 315 3.193 26.123 3.872 217 1HB LEU 315 HB2 LEU 315 2.715 24.161 2.420 218 2HB LEU 315 HB3 LEU 315 1.349 24.762 3.330 219 HG LEU 315 HG LEU 315 0.423 25.816 1.259 220 1HD1 LEU 315 HD11 LEU 315 2.400 26.093 -0.144 221 2HD1 LEU 315 HD12 LEU 315 2.724 24.343 -0.100 222 3HD1 LEU 315 HD13 LEU 315 1.288 24.979 -0.936 223 1HD2 LEU 315 HD21 LEU 315 1.043 22.839 1.104 224 2HD2 LEU 315 HD22 LEU 315 -0.258 23.586 2.060 225 3HD2 LEU 315 HD23 LEU 315 -0.300 23.677 0.294 226 1H GLY 586 H1 GLY 586 -5.009 10.953 44.226 227 2H GLY 586 H2 GLY 586 -5.259 12.213 43.208 228 3H GLY 586 H3 GLY 586 -5.531 10.680 42.697 229 1HA GLY 586 HA2 GLY 586 -2.900 11.789 43.443 230 2HA GLY 586 HA3 GLY 586 -3.194 10.135 42.876 231 H VAL 587 H VAL 587 -2.117 10.130 40.963 232 HA VAL 587 HA VAL 587 -3.074 11.879 38.746 233 HB VAL 587 HB VAL 587 -0.135 11.382 39.415 234 1HG1 VAL 587 HG11 VAL 587 -0.405 11.477 36.985 235 2HG1 VAL 587 HG12 VAL 587 -1.411 12.944 37.123 236 3HG1 VAL 587 HG13 VAL 587 0.313 12.978 37.542 237 1HG2 VAL 587 HG21 VAL 587 -1.031 13.127 40.883 238 2HG2 VAL 587 HG22 VAL 587 -0.001 13.861 39.660 239 3HG2 VAL 587 HG23 VAL 587 -1.768 13.958 39.492 240 H ARG 588 H ARG 588 -3.027 10.901 36.757 241 HA ARG 588 HA ARG 588 -2.075 8.062 36.499 242 1HB ARG 588 HB2 ARG 588 -4.491 8.138 37.010 243 2HB ARG 588 HB3 ARG 588 -4.770 9.169 35.602 244 1HG ARG 588 HG2 ARG 588 -4.039 7.361 34.095 245 2HG ARG 588 HG3 ARG 588 -3.646 6.328 35.479 246 1HD ARG 588 HD2 ARG 588 -6.425 7.442 34.885 247 2HD ARG 588 HD3 ARG 588 -5.873 5.870 34.327 248 HE ARG 588 HE ARG 588 -6.560 6.651 37.095 249 1HH1 ARG 588 HH21 ARG 588 -5.206 4.102 35.103 250 2HH1 ARG 588 HH22 ARG 588 -5.438 2.894 36.336 251 1HH2 ARG 588 HH11 ARG 588 -6.769 5.073 38.639 252 2HH2 ARG 588 HH12 ARG 588 -6.298 3.437 38.284 253 H LYS 589 H LYS 589 -2.681 11.123 34.899 254 HA LYS 589 HA LYS 589 -0.875 10.406 32.643 255 1HB LYS 589 HB2 LYS 589 -3.651 11.668 32.395 256 2HB LYS 589 HB3 LYS 589 -2.476 11.619 31.091 257 1HG LYS 589 HG2 LYS 589 -3.767 9.175 32.371 258 2HG LYS 589 HG3 LYS 589 -4.226 9.933 30.866 259 1HD LYS 589 HD2 LYS 589 -1.657 9.493 30.206 260 2HD LYS 589 HD3 LYS 589 -1.783 8.283 31.486 261 1HE LYS 589 HE2 LYS 589 -2.429 7.032 29.634 262 2HE LYS 589 HE3 LYS 589 -3.995 7.558 30.261 263 1HZ LYS 589 HZ1 LYS 589 -3.783 9.473 28.612 264 2HZ LYS 589 HZ2 LYS 589 -2.468 8.703 27.999 265 3HZ LYS 589 HZ3 LYS 589 -3.919 8.008 27.885 266 H GLY 590 H GLY 590 -0.162 12.358 31.468 267 1HA GLY 590 HA2 GLY 590 -0.133 14.875 33.095 268 2HA GLY 590 HA3 GLY 590 1.369 14.044 32.698 269 H TRP 591 H TRP 591 -1.136 14.094 30.253 270 HA TRP 591 HA TRP 591 0.076 16.457 28.877 271 1HB TRP 591 HB2 TRP 591 0.441 15.238 26.866 272 2HB TRP 591 HB3 TRP 591 1.237 14.391 28.178 273 HD1 TRP 591 HD1 TRP 591 0.393 11.993 28.837 274 HE1 TRP 591 HE1 TRP 591 -0.841 10.197 27.474 275 HE3 TRP 591 HE3 TRP 591 -1.591 14.978 25.176 276 HZ2 TRP 591 HZ2 TRP 591 -2.660 10.109 25.232 277 HZ3 TRP 591 HZ3 TRP 591 -3.057 13.999 23.424 278 HH2 TRP 591 HH2 TRP 591 -3.597 11.581 23.449 279 H HIS 592 H HIS 592 -2.821 14.892 29.718 280 HA HIS 592 HA HIS 592 -4.402 15.412 27.394 281 1HB HIS 592 HB2 HIS 592 -5.140 15.031 30.319 282 2HB HIS 592 HB3 HIS 592 -6.302 15.122 29.004 283 HD1 HIS 592 HD1 HIS 592 -7.085 12.644 29.705 284 HD2 HIS 592 HD2 HIS 592 -3.163 13.004 28.205 285 HE1 HIS 592 HE1 HIS 592 -6.346 10.297 29.058 286 H GLU 593 H GLU 593 -3.232 17.607 29.792 287 HA GLU 593 HA GLU 593 -5.225 19.541 29.989 288 1HB GLU 593 HB2 GLU 593 -3.451 21.009 30.763 289 2HB GLU 593 HB3 GLU 593 -3.284 19.394 31.442 290 1HG GLU 593 HG2 GLU 593 -1.476 18.878 29.825 291 2HG GLU 593 HG3 GLU 593 -1.672 20.463 29.076 292 H HIS 594 H HIS 594 -3.234 19.026 27.154 293 HA HIS 594 HA HIS 594 -4.064 21.692 26.068 294 1HB HIS 594 HB2 HIS 594 -2.236 21.618 24.625 295 2HB HIS 594 HB3 HIS 594 -1.615 21.094 26.182 296 HD1 HIS 594 HD1 HIS 594 -2.576 19.623 22.726 297 HD2 HIS 594 HD2 HIS 594 -0.440 18.693 26.233 298 HE1 HIS 594 HE1 HIS 594 -1.347 17.461 22.249 299 H VAL 595 H VAL 595 -5.193 18.562 25.958 300 HA VAL 595 HA VAL 595 -5.742 18.294 23.101 301 HB VAL 595 HB VAL 595 -6.845 16.775 25.503 302 1HG1 VAL 595 HG11 VAL 595 -7.323 14.977 23.855 303 2HG1 VAL 595 HG12 VAL 595 -8.312 16.399 23.579 304 3HG1 VAL 595 HG13 VAL 595 -6.904 16.081 22.529 305 1HG2 VAL 595 HG21 VAL 595 -4.369 16.556 25.275 306 2HG2 VAL 595 HG22 VAL 595 -5.185 15.051 24.876 307 3HG2 VAL 595 HG23 VAL 595 -4.572 16.096 23.575 308 H THR 596 H THR 596 -7.769 18.439 22.077 309 HA THR 596 HA THR 596 -10.061 19.631 23.501 310 HB THR 596 HB THR 596 -8.718 21.558 22.675 311 HG1 THR 596 HG1 THR 596 -10.788 22.037 22.806 312 1HG2 THR 596 HG21 THR 596 -7.781 20.546 20.589 313 2HG2 THR 596 HG22 THR 596 -9.411 20.577 19.873 314 3HG2 THR 596 HG23 THR 596 -8.602 22.090 20.314 315 H GLN 597 H GLN 597 -12.061 19.496 22.266 316 HA GLN 597 HA GLN 597 -12.404 16.908 21.171 317 1HB GLN 597 HB2 GLN 597 -14.128 18.299 22.331 318 2HB GLN 597 HB3 GLN 597 -14.254 19.311 20.880 319 1HG GLN 597 HG2 GLN 597 -14.979 17.337 19.563 320 2HG GLN 597 HG3 GLN 597 -14.782 16.302 20.979 321 1HE2 GLN 597 HE22 GLN 597 -17.206 16.148 19.828 322 2HE2 GLN 597 HE21 GLN 597 -18.397 17.048 20.759 323 H ASP 598 H ASP 598 -12.064 20.055 19.470 324 HA ASP 598 HA ASP 598 -12.646 19.175 16.845 325 1HB ASP 598 HB2 ASP 598 -10.752 21.343 17.835 326 2HB ASP 598 HB3 ASP 598 -11.185 21.110 16.144 327 H LEU 599 H LEU 599 -9.572 18.910 18.642 328 HA LEU 599 HA LEU 599 -8.002 17.913 16.424 329 1HB LEU 599 HB2 LEU 599 -6.979 18.879 18.459 330 2HB LEU 599 HB3 LEU 599 -7.678 17.593 19.440 331 HG LEU 599 HG LEU 599 -6.317 15.907 18.193 332 1HD1 LEU 599 HD11 LEU 599 -5.936 17.082 16.079 333 2HD1 LEU 599 HD12 LEU 599 -5.050 18.375 16.923 334 3HD1 LEU 599 HD13 LEU 599 -4.391 16.727 16.850 335 1HD2 LEU 599 HD21 LEU 599 -4.743 18.171 19.479 336 2HD2 LEU 599 HD22 LEU 599 -5.535 16.822 20.325 337 3HD2 LEU 599 HD23 LEU 599 -4.176 16.503 19.238 338 H ARG 600 H ARG 600 -9.626 16.260 19.178 339 HA ARG 600 HA ARG 600 -9.119 13.580 18.383 340 1HB ARG 600 HB2 ARG 600 -11.560 14.685 19.848 341 2HB ARG 600 HB3 ARG 600 -11.067 13.000 19.816 342 1HG ARG 600 HG2 ARG 600 -9.434 15.280 21.029 343 2HG ARG 600 HG3 ARG 600 -10.480 14.199 21.927 344 1HD ARG 600 HD2 ARG 600 -8.023 13.349 20.336 345 2HD ARG 600 HD3 ARG 600 -8.056 13.598 22.075 346 HE ARG 600 HE ARG 600 -8.930 11.248 20.645 347 1HH1 ARG 600 HH11 ARG 600 -9.439 12.936 23.680 348 2HH1 ARG 600 HH12 ARG 600 -10.187 11.544 24.408 349 1HH2 ARG 600 HH21 ARG 600 -10.010 9.631 21.547 350 2HH2 ARG 600 HH22 ARG 600 -10.502 9.700 23.233 351 H SER 601 H SER 601 -11.949 15.606 17.522 352 HA SER 601 HA SER 601 -13.324 13.773 15.875 353 1HB SER 601 HB2 SER 601 -12.999 16.786 15.590 354 2HB SER 601 HB3 SER 601 -14.208 15.820 14.725 355 HG SER 601 HG SER 601 -15.154 15.242 16.692 356 H HIS 602 H HIS 602 -10.869 16.224 14.812 357 HA HIS 602 HA HIS 602 -10.992 15.405 12.070 358 1HB HIS 602 HB2 HIS 602 -10.285 17.626 12.846 359 2HB HIS 602 HB3 HIS 602 -8.857 16.935 13.595 360 HD1 HIS 602 HD1 HIS 602 -10.029 18.399 10.376 361 HD2 HIS 602 HD2 HIS 602 -7.102 15.657 11.638 362 HE1 HIS 602 HE1 HIS 602 -8.371 18.187 8.453 363 H LEU 603 H LEU 603 -8.758 14.439 14.730 364 HA LEU 603 HA LEU 603 -7.064 12.792 13.087 365 1HB LEU 603 HB2 LEU 603 -7.721 12.622 16.060 366 2HB LEU 603 HB3 LEU 603 -6.474 11.683 15.250 367 HG LEU 603 HG LEU 603 -6.501 14.703 15.622 368 1HD1 LEU 603 HD11 LEU 603 -5.855 13.426 17.593 369 2HD1 LEU 603 HD12 LEU 603 -4.657 12.514 16.645 370 3HD1 LEU 603 HD13 LEU 603 -4.451 14.258 16.918 371 1HD2 LEU 603 HD21 LEU 603 -4.302 14.748 14.610 372 2HD2 LEU 603 HD22 LEU 603 -4.472 13.041 14.120 373 3HD2 LEU 603 HD23 LEU 603 -5.536 14.298 13.444 374 H VAL 604 H VAL 604 -10.027 11.925 14.967 375 HA VAL 604 HA VAL 604 -10.141 9.194 14.132 376 HB VAL 604 HB VAL 604 -12.310 11.170 14.901 377 1HG1 VAL 604 HG11 VAL 604 -12.689 8.183 14.392 378 2HG1 VAL 604 HG12 VAL 604 -13.874 9.306 15.096 379 3HG1 VAL 604 HG13 VAL 604 -13.399 9.497 13.421 380 1HG2 VAL 604 HG21 VAL 604 -10.705 10.320 16.665 381 2HG2 VAL 604 HG22 VAL 604 -12.389 9.877 16.959 382 3HG2 VAL 604 HG23 VAL 604 -11.256 8.675 16.307 383 H HIS 605 H HIS 605 -11.608 12.097 12.515 384 HA HIS 605 HA HIS 605 -12.710 10.642 10.370 385 1HB HIS 605 HB2 HIS 605 -13.543 12.623 9.898 386 2HB HIS 605 HB3 HIS 605 -12.549 13.360 11.129 387 HD1 HIS 605 HD1 HIS 605 -10.034 14.285 10.131 388 HD2 HIS 605 HD2 HIS 605 -13.115 13.350 7.421 389 HE1 HIS 605 HE1 HIS 605 -9.422 15.424 7.935 390 H LYS 606 H LYS 606 -9.425 11.949 10.640 391 HA LYS 606 HA LYS 606 -8.671 11.234 7.925 392 1HB LYS 606 HB2 LYS 606 -7.770 13.111 9.200 393 2HB LYS 606 HB3 LYS 606 -7.000 12.012 10.352 394 1HG LYS 606 HG2 LYS 606 -5.348 11.363 8.825 395 2HG LYS 606 HG3 LYS 606 -6.351 11.721 7.410 396 1HD LYS 606 HD2 LYS 606 -4.466 13.340 7.714 397 2HD LYS 606 HD3 LYS 606 -6.070 14.084 7.659 398 1HE LYS 606 HE2 LYS 606 -6.098 14.187 10.157 399 2HE LYS 606 HE3 LYS 606 -4.464 13.510 10.186 400 1HZ LYS 606 HZ1 LYS 606 -4.495 15.923 10.354 401 2HZ LYS 606 HZ2 LYS 606 -3.678 15.447 9.025 402 3HZ LYS 606 HZ3 LYS 606 -5.222 16.078 8.899 403 H LEU 607 H LEU 607 -8.172 9.699 11.072 404 HA LEU 607 HA LEU 607 -6.731 7.385 10.202 405 1HB LEU 607 HB2 LEU 607 -7.070 8.300 12.522 406 2HB LEU 607 HB3 LEU 607 -8.706 7.692 12.504 407 HG LEU 607 HG LEU 607 -6.783 5.557 11.864 408 1HD1 LEU 607 HD11 LEU 607 -6.369 7.026 14.522 409 2HD1 LEU 607 HD12 LEU 607 -5.660 5.459 14.089 410 3HD1 LEU 607 HD13 LEU 607 -5.190 6.919 13.212 411 1HD2 LEU 607 HD21 LEU 607 -8.602 5.994 14.280 412 2HD2 LEU 607 HD22 LEU 607 -9.105 5.251 12.750 413 3HD2 LEU 607 HD23 LEU 607 -7.878 4.456 13.761 414 H VAL 608 H VAL 608 -10.266 7.970 10.484 415 HA VAL 608 HA VAL 608 -11.202 5.503 9.455 416 HB VAL 608 HB VAL 608 -12.338 8.303 9.519 417 1HG1 VAL 608 HG11 VAL 608 -14.538 7.367 8.829 418 2HG1 VAL 608 HG12 VAL 608 -13.373 7.405 7.510 419 3HG1 VAL 608 HG13 VAL 608 -13.705 5.871 8.344 420 1HG2 VAL 608 HG21 VAL 608 -12.200 6.899 11.596 421 2HG2 VAL 608 HG22 VAL 608 -13.847 7.346 11.144 422 3HG2 VAL 608 HG23 VAL 608 -13.248 5.704 10.808 423 H GLN 609 H GLN 609 -10.487 8.502 7.522 424 HA GLN 609 HA GLN 609 -11.229 7.310 5.036 425 1HB GLN 609 HB2 GLN 609 -9.266 9.558 5.640 426 2HB GLN 609 HB3 GLN 609 -9.766 9.115 4.014 427 1HG GLN 609 HG2 GLN 609 -11.633 10.084 6.200 428 2HG GLN 609 HG3 GLN 609 -11.058 11.046 4.848 429 1HE2 GLN 609 HE22 GLN 609 -13.852 9.931 5.776 430 2HE2 GLN 609 HE21 GLN 609 -14.483 9.279 4.270 431 H ALA 610 H ALA 610 -8.029 7.358 6.648 432 HA ALA 610 HA ALA 610 -6.614 6.023 4.528 433 1HB ALA 610 HB1 ALA 610 -5.515 7.211 6.400 434 2HB ALA 610 HB2 ALA 610 -6.110 5.968 7.534 435 3HB ALA 610 HB3 ALA 610 -4.977 5.524 6.241 436 H ILE 611 H ILE 611 -8.368 4.777 7.410 437 HA ILE 611 HA ILE 611 -7.782 2.030 7.019 438 HB ILE 611 HB ILE 611 -9.939 3.521 8.517 439 1HG1 ILE 611 HG12 ILE 611 -7.658 1.751 9.510 440 2HG1 ILE 611 HG13 ILE 611 -7.442 3.462 9.200 441 1HG2 ILE 611 HG21 ILE 611 -10.946 1.328 7.883 442 2HG2 ILE 611 HG22 ILE 611 -9.569 0.494 8.627 443 3HG2 ILE 611 HG23 ILE 611 -10.678 1.483 9.603 444 1HD1 ILE 611 HD11 ILE 611 -7.827 3.250 11.518 445 2HD1 ILE 611 HD12 ILE 611 -9.306 3.949 10.837 446 3HD1 ILE 611 HD13 ILE 611 -9.262 2.230 11.291 447 H PHE 612 H PHE 612 -10.698 3.891 5.938 448 HA PHE 612 HA PHE 612 -10.842 2.054 3.633 449 1HB PHE 612 HB2 PHE 612 -12.295 0.984 5.204 450 2HB PHE 612 HB3 PHE 612 -13.099 2.497 5.579 451 HD1 PHE 612 HD1 PHE 612 -15.310 1.816 5.095 452 HD2 PHE 612 HD2 PHE 612 -12.269 1.286 2.089 453 HE1 PHE 612 HE1 PHE 612 -17.064 1.445 3.380 454 HE2 PHE 612 HE2 PHE 612 -14.019 0.935 0.379 455 HZ PHE 612 HZ PHE 612 -16.432 1.025 1.025 456 HA PRO 613 HA PRO 613 -11.223 6.291 2.035 457 1HB PRO 613 HB2 PRO 613 -11.322 4.710 -0.535 458 2HB PRO 613 HB3 PRO 613 -10.422 6.216 -0.169 459 1HG PRO 613 HG2 PRO 613 -9.127 3.846 -0.172 460 2HG PRO 613 HG3 PRO 613 -8.821 5.020 1.153 461 1HD PRO 613 HD2 PRO 613 -10.643 2.603 1.165 462 2HD PRO 613 HD3 PRO 613 -9.456 3.119 2.398 463 H THR 614 H THR 614 -13.607 3.904 1.988 464 HA THR 614 HA THR 614 -15.810 3.890 1.836 465 HB THR 614 HB THR 614 -15.400 6.528 2.392 466 HG1 THR 614 HG1 THR 614 -16.897 5.209 3.337 467 1HG2 THR 614 HG21 THR 614 -16.974 7.869 1.150 468 2HG2 THR 614 HG22 THR 614 -15.796 7.239 -0.003 469 3HG2 THR 614 HG23 THR 614 -17.407 6.510 0.109 470 HA PRO 615 HA PRO 615 -16.477 2.972 -2.432 471 1HB PRO 615 HB2 PRO 615 -19.013 2.066 -2.478 472 2HB PRO 615 HB3 PRO 615 -17.773 1.280 -1.453 473 1HG PRO 615 HG2 PRO 615 -19.907 3.222 -0.599 474 2HG PRO 615 HG3 PRO 615 -19.374 1.714 0.202 475 1HD PRO 615 HD2 PRO 615 -18.458 4.305 0.800 476 2HD PRO 615 HD3 PRO 615 -17.624 2.809 1.248 477 H ASP 616 H ASP 616 -18.873 5.139 -1.003 478 HA ASP 616 HA ASP 616 -19.003 6.999 -3.257 479 1HB ASP 616 HB2 ASP 616 -21.344 5.299 -2.315 480 2HB ASP 616 HB3 ASP 616 -21.598 6.822 -3.105 481 HA PRO 617 HA PRO 617 -19.420 9.597 0.256 482 1HB PRO 617 HB2 PRO 617 -20.783 11.816 -0.641 483 2HB PRO 617 HB3 PRO 617 -19.113 11.396 -1.125 484 1HG PRO 617 HG2 PRO 617 -21.683 10.884 -2.630 485 2HG PRO 617 HG3 PRO 617 -20.122 11.494 -3.267 486 1HD PRO 617 HD2 PRO 617 -20.931 8.875 -3.458 487 2HD PRO 617 HD3 PRO 617 -19.212 9.299 -3.322 488 H ALA 618 H ALA 618 -22.420 8.453 -1.125 489 HA ALA 618 HA ALA 618 -24.185 9.223 1.012 490 1HB ALA 618 HB1 ALA 618 -25.624 7.448 0.086 491 2HB ALA 618 HB2 ALA 618 -24.965 8.472 -1.202 492 3HB ALA 618 HB3 ALA 618 -24.278 6.855 -0.910 493 H ALA 619 H ALA 619 -21.732 6.662 0.786 494 HA ALA 619 HA ALA 619 -22.730 4.964 2.877 495 1HB ALA 619 HB1 ALA 619 -20.456 3.994 2.784 496 2HB ALA 619 HB2 ALA 619 -21.020 4.322 1.134 497 3HB ALA 619 HB3 ALA 619 -19.870 5.418 1.923 498 H LEU 620 H LEU 620 -20.529 7.772 2.868 499 HA LEU 620 HA LEU 620 -19.558 7.753 5.480 500 1HB LEU 620 HB2 LEU 620 -20.296 10.147 3.752 501 2HB LEU 620 HB3 LEU 620 -19.202 10.179 5.120 502 HG LEU 620 HG LEU 620 -18.686 8.596 2.571 503 1HD1 LEU 620 HD11 LEU 620 -18.696 11.036 2.177 504 2HD1 LEU 620 HD12 LEU 620 -17.524 11.256 3.495 505 3HD1 LEU 620 HD13 LEU 620 -17.069 10.353 2.031 506 1HD2 LEU 620 HD21 LEU 620 -16.913 9.269 4.969 507 2HD2 LEU 620 HD22 LEU 620 -17.470 7.655 4.469 508 3HD2 LEU 620 HD23 LEU 620 -16.342 8.541 3.447 509 H LYS 621 H LYS 621 -22.788 8.504 4.511 510 HA LYS 621 HA LYS 621 -23.475 9.522 7.241 511 1HB LYS 621 HB2 LYS 621 -25.229 10.860 6.235 512 2HB LYS 621 HB3 LYS 621 -23.647 11.287 5.591 513 1HG LYS 621 HG2 LYS 621 -24.104 10.043 3.515 514 2HG LYS 621 HG3 LYS 621 -25.669 9.499 4.157 515 1HD LYS 621 HD2 LYS 621 -26.436 11.848 4.295 516 2HD LYS 621 HD3 LYS 621 -24.863 12.404 3.678 517 1HE LYS 621 HE2 LYS 621 -25.236 11.121 1.584 518 2HE LYS 621 HE3 LYS 621 -26.800 10.565 2.199 519 1HZ LYS 621 HZ1 LYS 621 -26.083 13.404 1.676 520 2HZ LYS 621 HZ2 LYS 621 -27.059 12.490 0.740 521 3HZ LYS 621 HZ3 LYS 621 -27.527 12.895 2.249 522 H ASP 622 H ASP 622 -23.451 6.710 6.059 523 HA ASP 622 HA ASP 622 -26.148 5.958 7.100 524 1HB ASP 622 HB2 ASP 622 -26.095 5.903 4.606 525 2HB ASP 622 HB3 ASP 622 -24.768 4.739 4.681 526 H ARG 623 H ARG 623 -26.301 3.671 7.694 527 HA ARG 623 HA ARG 623 -24.698 3.177 9.928 528 1HB ARG 623 HB2 ARG 623 -26.347 1.129 8.382 529 2HB ARG 623 HB3 ARG 623 -25.724 0.933 10.010 530 1HG ARG 623 HG2 ARG 623 -27.995 1.438 10.259 531 2HG ARG 623 HG3 ARG 623 -27.137 2.910 10.742 532 1HD ARG 623 HD2 ARG 623 -27.707 4.003 8.675 533 2HD ARG 623 HD3 ARG 623 -28.246 2.469 7.942 534 HE ARG 623 HE ARG 623 -29.862 3.038 10.213 535 1HH1 ARG 623 HH21 ARG 623 -29.267 4.277 6.965 536 2HH1 ARG 623 HH22 ARG 623 -30.878 4.954 6.844 537 1HH2 ARG 623 HH11 ARG 623 -31.908 3.904 9.960 538 2HH2 ARG 623 HH12 ARG 623 -32.334 4.730 8.488 539 H ARG 624 H ARG 624 -24.303 1.862 6.705 540 HA ARG 624 HA ARG 624 -22.401 -0.154 7.132 541 1HB ARG 624 HB2 ARG 624 -21.953 -0.043 4.805 542 2HB ARG 624 HB3 ARG 624 -23.653 0.310 5.044 543 1HG ARG 624 HG2 ARG 624 -22.969 2.831 4.857 544 2HG ARG 624 HG3 ARG 624 -21.410 2.217 4.287 545 1HD ARG 624 HD2 ARG 624 -22.653 2.643 2.323 546 2HD ARG 624 HD3 ARG 624 -22.708 0.886 2.529 547 HE ARG 624 HE ARG 624 -24.981 2.221 3.794 548 1HH1 ARG 624 HH11 ARG 624 -23.961 1.169 0.596 549 2HH1 ARG 624 HH12 ARG 624 -25.610 1.103 0.038 550 1HH2 ARG 624 HH21 ARG 624 -26.895 2.150 3.081 551 2HH2 ARG 624 HH22 ARG 624 -27.293 1.659 1.432 552 H MET 625 H MET 625 -21.731 3.344 6.788 553 HA MET 625 HA MET 625 -18.849 2.811 7.309 554 1HB MET 625 HB2 MET 625 -19.699 4.406 5.478 555 2HB MET 625 HB3 MET 625 -20.113 5.508 6.809 556 1HG MET 625 HG2 MET 625 -17.963 6.094 5.911 557 2HG MET 625 HG3 MET 625 -17.731 5.464 7.536 558 1HE MET 625 HE1 MET 625 -15.261 5.537 6.882 559 2HE MET 625 HE2 MET 625 -14.416 4.420 5.790 560 3HE MET 625 HE3 MET 625 -15.347 5.789 5.130 561 H GLU 626 H GLU 626 -21.718 4.204 8.931 562 HA GLU 626 HA GLU 626 -20.501 5.287 11.202 563 1HB GLU 626 HB2 GLU 626 -22.989 5.189 10.569 564 2HB GLU 626 HB3 GLU 626 -22.988 3.567 11.262 565 1HG GLU 626 HG2 GLU 626 -23.822 5.004 12.935 566 2HG GLU 626 HG3 GLU 626 -22.204 4.564 13.449 567 H ASN 627 H ASN 627 -21.037 1.831 10.488 568 HA ASN 627 HA ASN 627 -20.069 0.787 12.980 569 1HB ASN 627 HB2 ASN 627 -20.003 -0.386 10.163 570 2HB ASN 627 HB3 ASN 627 -19.601 -1.288 11.619 571 1HD2 ASN 627 HD22 ASN 627 -21.720 -1.898 9.728 572 2HD2 ASN 627 HD21 ASN 627 -23.203 -1.850 10.668 573 H LEU 628 H LEU 628 -18.286 1.614 9.994 574 HA LEU 628 HA LEU 628 -15.674 0.793 10.877 575 1HB LEU 628 HB2 LEU 628 -16.589 1.233 8.507 576 2HB LEU 628 HB3 LEU 628 -16.428 2.941 8.840 577 HG LEU 628 HG LEU 628 -14.653 2.184 7.479 578 1HD1 LEU 628 HD11 LEU 628 -13.295 2.570 10.156 579 2HD1 LEU 628 HD12 LEU 628 -12.741 3.039 8.542 580 3HD1 LEU 628 HD13 LEU 628 -14.112 3.883 9.280 581 1HD2 LEU 628 HD21 LEU 628 -13.044 0.487 8.084 582 2HD2 LEU 628 HD22 LEU 628 -13.794 0.260 9.673 583 3HD2 LEU 628 HD23 LEU 628 -14.667 -0.203 8.192 584 H VAL 629 H VAL 629 -17.293 3.938 10.758 585 HA VAL 629 HA VAL 629 -15.384 5.574 12.074 586 HB VAL 629 HB VAL 629 -18.399 5.698 11.812 587 1HG1 VAL 629 HG11 VAL 629 -18.303 8.070 12.429 588 2HG1 VAL 629 HG12 VAL 629 -17.922 7.023 13.793 589 3HG1 VAL 629 HG13 VAL 629 -16.602 7.875 12.939 590 1HG2 VAL 629 HG21 VAL 629 -17.943 7.400 10.143 591 2HG2 VAL 629 HG22 VAL 629 -16.211 7.386 10.529 592 3HG2 VAL 629 HG23 VAL 629 -16.962 5.984 9.748 593 H ALA 630 H ALA 630 -18.052 3.665 13.560 594 HA ALA 630 HA ALA 630 -17.489 4.429 16.252 595 1HB ALA 630 HB1 ALA 630 -19.644 3.489 15.545 596 2HB ALA 630 HB2 ALA 630 -18.864 1.945 15.134 597 3HB ALA 630 HB3 ALA 630 -18.922 2.494 16.822 598 H TYR 631 H TYR 631 -16.384 1.587 14.323 599 HA TYR 631 HA TYR 631 -14.694 0.387 16.281 600 1HB TYR 631 HB2 TYR 631 -15.023 -0.923 14.445 601 2HB TYR 631 HB3 TYR 631 -14.953 0.398 13.299 602 HD1 TYR 631 HD1 TYR 631 -12.802 -1.881 15.382 603 HD2 TYR 631 HD2 TYR 631 -12.936 0.985 12.131 604 HE1 TYR 631 HE1 TYR 631 -10.565 -2.472 14.758 605 HE2 TYR 631 HE2 TYR 631 -10.601 0.311 11.495 606 HH TYR 631 HH TYR 631 -8.765 -2.031 13.410 607 H ALA 632 H ALA 632 -13.933 2.944 13.864 608 HA ALA 632 HA ALA 632 -11.251 3.365 14.690 609 1HB ALA 632 HB1 ALA 632 -11.468 5.518 13.523 610 2HB ALA 632 HB2 ALA 632 -12.157 4.184 12.573 611 3HB ALA 632 HB3 ALA 632 -13.228 5.308 13.438 612 H LYS 633 H LYS 633 -14.252 5.104 15.797 613 HA LYS 633 HA LYS 633 -12.919 6.772 17.718 614 1HB LYS 633 HB2 LYS 633 -15.768 5.705 17.550 615 2HB LYS 633 HB3 LYS 633 -15.234 6.805 18.829 616 1HG LYS 633 HG2 LYS 633 -14.566 8.486 17.192 617 2HG LYS 633 HG3 LYS 633 -15.046 7.424 15.856 618 1HD LYS 633 HD2 LYS 633 -17.386 7.406 16.696 619 2HD LYS 633 HD3 LYS 633 -16.917 8.510 18.008 620 1HE LYS 633 HE2 LYS 633 -16.213 10.200 16.331 621 2HE LYS 633 HE3 LYS 633 -16.661 9.097 15.023 622 1HZ LYS 633 HZ1 LYS 633 -18.431 10.702 15.476 623 2HZ LYS 633 HZ2 LYS 633 -18.968 9.199 15.814 624 3HZ LYS 633 HZ3 LYS 633 -18.554 10.214 17.026 625 H LYS 634 H LYS 634 -14.430 3.589 18.208 626 HA LYS 634 HA LYS 634 -14.053 3.346 21.007 627 1HB LYS 634 HB2 LYS 634 -15.498 1.916 19.630 628 2HB LYS 634 HB3 LYS 634 -14.091 1.191 18.844 629 1HG LYS 634 HG2 LYS 634 -13.351 0.243 21.006 630 2HG LYS 634 HG3 LYS 634 -14.725 0.997 21.826 631 1HD LYS 634 HD2 LYS 634 -14.927 -1.085 19.598 632 2HD LYS 634 HD3 LYS 634 -15.034 -1.433 21.330 633 1HE LYS 634 HE2 LYS 634 -17.014 0.072 21.509 634 2HE LYS 634 HE3 LYS 634 -16.939 0.373 19.769 635 1HZ LYS 634 HZ1 LYS 634 -17.329 -2.006 19.404 636 2HZ LYS 634 HZ2 LYS 634 -17.393 -2.288 21.014 637 3HZ LYS 634 HZ3 LYS 634 -18.538 -1.373 20.298 638 H VAL 635 H VAL 635 -11.873 2.273 18.378 639 HA VAL 635 HA VAL 635 -9.826 1.425 20.296 640 HB VAL 635 HB VAL 635 -9.730 1.663 17.284 641 1HG1 VAL 635 HG11 VAL 635 -7.445 1.686 18.146 642 2HG1 VAL 635 HG12 VAL 635 -7.815 0.352 19.262 643 3HG1 VAL 635 HG13 VAL 635 -7.771 0.066 17.515 644 1HG2 VAL 635 HG21 VAL 635 -11.371 -0.032 18.053 645 2HG2 VAL 635 HG22 VAL 635 -9.960 -0.824 17.352 646 3HG2 VAL 635 HG23 VAL 635 -10.144 -0.746 19.115 647 H GLU 636 H GLU 636 -10.265 4.366 18.230 648 HA GLU 636 HA GLU 636 -7.770 5.586 18.791 649 1HB GLU 636 HB2 GLU 636 -9.424 6.375 17.143 650 2HB GLU 636 HB3 GLU 636 -10.508 6.885 18.419 651 1HG GLU 636 HG2 GLU 636 -7.667 7.936 18.101 652 2HG GLU 636 HG3 GLU 636 -9.009 8.620 17.214 653 H GLY 637 H GLY 637 -10.775 5.577 20.750 654 1HA GLY 637 HA2 GLY 637 -9.795 7.062 22.982 655 2HA GLY 637 HA3 GLY 637 -11.111 5.883 22.995 656 H ASP 638 H ASP 638 -9.402 3.593 22.159 657 HA ASP 638 HA ASP 638 -8.411 2.811 24.786 658 1HB ASP 638 HB2 ASP 638 -9.481 1.271 23.057 659 2HB ASP 638 HB3 ASP 638 -8.010 1.415 22.109 660 H MET 639 H MET 639 -6.948 3.834 21.712 661 HA MET 639 HA MET 639 -4.175 3.448 22.466 662 1HB MET 639 HB2 MET 639 -5.429 5.326 20.418 663 2HB MET 639 HB3 MET 639 -3.717 4.924 20.520 664 1HG MET 639 HG2 MET 639 -5.917 2.893 19.983 665 2HG MET 639 HG3 MET 639 -5.030 3.726 18.733 666 1HE MET 639 HE1 MET 639 -5.373 0.554 18.832 667 2HE MET 639 HE2 MET 639 -4.564 1.531 17.577 668 3HE MET 639 HE3 MET 639 -3.731 0.135 18.299 669 H TYR 640 H TYR 640 -6.393 6.255 22.532 670 HA TYR 640 HA TYR 640 -4.678 8.209 23.659 671 1HB TYR 640 HB2 TYR 640 -6.867 8.556 22.586 672 2HB TYR 640 HB3 TYR 640 -7.674 7.770 23.921 673 HD1 TYR 640 HD1 TYR 640 -5.805 10.776 22.829 674 HD2 TYR 640 HD2 TYR 640 -8.053 8.975 26.040 675 HE1 TYR 640 HE1 TYR 640 -5.967 12.987 23.952 676 HE2 TYR 640 HE2 TYR 640 -8.245 11.196 27.146 677 HH TYR 640 HH TYR 640 -7.724 13.430 27.043 678 H GLU 641 H GLU 641 -6.969 5.987 25.407 679 HA GLU 641 HA GLU 641 -6.128 6.852 28.010 680 1HB GLU 641 HB2 GLU 641 -7.577 4.393 26.979 681 2HB GLU 641 HB3 GLU 641 -7.237 4.635 28.686 682 1HG GLU 641 HG2 GLU 641 -8.803 6.641 27.008 683 2HG GLU 641 HG3 GLU 641 -9.538 5.342 27.939 684 H SER 642 H SER 642 -4.685 4.540 25.796 685 HA SER 642 HA SER 642 -3.045 3.243 27.869 686 1HB SER 642 HB2 SER 642 -2.858 3.133 24.833 687 2HB SER 642 HB3 SER 642 -1.920 2.145 25.967 688 HG SER 642 HG SER 642 -4.720 2.163 25.528 689 H ALA 643 H ALA 643 -2.518 5.852 25.496 690 HA ALA 643 HA ALA 643 0.296 5.788 25.531 691 1HB ALA 643 HB1 ALA 643 0.054 7.967 24.380 692 2HB ALA 643 HB2 ALA 643 -1.041 6.729 23.735 693 3HB ALA 643 HB3 ALA 643 -1.667 7.991 24.818 694 H ASN 644 H ASN 644 1.749 6.404 26.966 695 HA ASN 644 HA ASN 644 1.143 7.980 29.320 696 1HB ASN 644 HB2 ASN 644 3.223 7.431 30.058 697 2HB ASN 644 HB3 ASN 644 2.995 6.122 28.909 698 1HD2 ASN 644 HD22 ASN 644 3.999 6.533 26.661 699 2HD2 ASN 644 HD21 ASN 644 5.491 7.480 26.641 700 H SER 645 H SER 645 1.977 8.921 26.102 701 HA SER 645 HA SER 645 2.159 11.766 26.891 702 1HB SER 645 HB2 SER 645 4.174 12.147 25.635 703 2HB SER 645 HB3 SER 645 4.496 10.894 26.841 704 HG SER 645 HG SER 645 5.048 10.723 24.369 705 H ARG 646 H ARG 646 2.021 13.226 25.108 706 HA ARG 646 HA ARG 646 0.010 12.853 23.173 707 1HB ARG 646 HB2 ARG 646 0.935 15.015 24.041 708 2HB ARG 646 HB3 ARG 646 2.432 14.703 23.171 709 1HG ARG 646 HG2 ARG 646 0.865 14.656 21.021 710 2HG ARG 646 HG3 ARG 646 -0.297 15.438 22.092 711 1HD ARG 646 HD2 ARG 646 0.864 17.239 21.064 712 2HD ARG 646 HD3 ARG 646 1.607 17.115 22.644 713 HE ARG 646 HE ARG 646 3.589 16.274 21.682 714 1HH1 ARG 646 HH11 ARG 646 1.266 16.928 19.102 715 2HH1 ARG 646 HH12 ARG 646 2.418 16.476 17.873 716 1HH2 ARG 646 HH21 ARG 646 4.991 15.794 20.031 717 2HH2 ARG 646 HH22 ARG 646 4.464 15.916 18.380 718 H ASP 647 H ASP 647 3.567 12.562 22.732 719 HA ASP 647 HA ASP 647 3.355 11.988 19.925 720 1HB ASP 647 HB2 ASP 647 5.682 11.757 19.953 721 2HB ASP 647 HB3 ASP 647 5.302 13.077 21.039 722 H GLU 648 H GLU 648 3.450 9.862 22.821 723 HA GLU 648 HA GLU 648 3.706 7.422 21.267 724 1HB GLU 648 HB2 GLU 648 4.266 7.510 23.654 725 2HB GLU 648 HB3 GLU 648 2.574 7.847 24.061 726 1HG GLU 648 HG2 GLU 648 1.878 5.671 23.213 727 2HG GLU 648 HG3 GLU 648 3.478 5.373 22.523 728 H TYR 649 H TYR 649 0.902 9.330 22.451 729 HA TYR 649 HA TYR 649 -1.175 7.592 21.561 730 1HB TYR 649 HB2 TYR 649 -1.848 9.313 22.961 731 2HB TYR 649 HB3 TYR 649 -0.888 10.524 22.153 732 HD1 TYR 649 HD1 TYR 649 -1.879 12.028 20.681 733 HD2 TYR 649 HD2 TYR 649 -3.865 8.299 21.557 734 HE1 TYR 649 HE1 TYR 649 -3.900 12.826 19.493 735 HE2 TYR 649 HE2 TYR 649 -5.920 9.127 20.414 736 HH TYR 649 HH TYR 649 -6.940 10.892 19.406 737 H TYR 650 H TYR 650 0.160 10.454 19.796 738 HA TYR 650 HA TYR 650 -0.933 9.840 17.267 739 1HB TYR 650 HB2 TYR 650 1.523 11.306 18.288 740 2HB TYR 650 HB3 TYR 650 1.484 10.909 16.585 741 HD1 TYR 650 HD1 TYR 650 0.889 13.553 18.637 742 HD2 TYR 650 HD2 TYR 650 -1.039 11.254 15.546 743 HE1 TYR 650 HE1 TYR 650 -0.393 15.583 17.908 744 HE2 TYR 650 HE2 TYR 650 -2.361 13.245 14.884 745 HH TYR 650 HH TYR 650 -2.511 15.476 15.028 746 H HIS 651 H HIS 651 2.215 8.616 18.565 747 HA HIS 651 HA HIS 651 2.941 7.186 16.228 748 1HB HIS 651 HB2 HIS 651 4.473 7.583 18.093 749 2HB HIS 651 HB3 HIS 651 3.516 6.532 19.141 750 HD1 HIS 651 HD1 HIS 651 5.677 6.225 15.922 751 HD2 HIS 651 HD2 HIS 651 4.137 3.990 19.142 752 HE1 HIS 651 HE1 HIS 651 6.723 3.907 15.749 753 H LEU 652 H LEU 652 0.904 6.084 18.980 754 HA LEU 652 HA LEU 652 0.365 3.458 17.957 755 1HB LEU 652 HB2 LEU 652 -1.079 5.323 19.878 756 2HB LEU 652 HB3 LEU 652 -1.674 3.724 19.502 757 HG LEU 652 HG LEU 652 1.089 4.216 20.682 758 1HD1 LEU 652 HD11 LEU 652 -0.691 4.971 22.219 759 2HD1 LEU 652 HD12 LEU 652 -1.509 3.401 22.058 760 3HD1 LEU 652 HD13 LEU 652 0.097 3.505 22.820 761 1HD2 LEU 652 HD21 LEU 652 0.956 1.827 21.292 762 2HD2 LEU 652 HD22 LEU 652 -0.597 1.690 20.438 763 3HD2 LEU 652 HD23 LEU 652 0.897 2.042 19.541 764 H LEU 653 H LEU 653 -1.501 6.534 17.554 765 HA LEU 653 HA LEU 653 -3.548 5.365 15.896 766 1HB LEU 653 HB2 LEU 653 -2.472 8.221 15.957 767 2HB LEU 653 HB3 LEU 653 -3.894 7.691 15.083 768 HG LEU 653 HG LEU 653 -3.530 8.047 18.050 769 1HD1 LEU 653 HD11 LEU 653 -5.667 8.877 16.045 770 2HD1 LEU 653 HD12 LEU 653 -5.630 9.308 17.758 771 3HD1 LEU 653 HD13 LEU 653 -4.359 9.903 16.679 772 1HD2 LEU 653 HD21 LEU 653 -4.527 5.806 17.883 773 2HD2 LEU 653 HD22 LEU 653 -5.664 6.990 18.507 774 3HD2 LEU 653 HD23 LEU 653 -5.802 6.446 16.815 775 H ALA 654 H ALA 654 -0.467 6.961 14.991 776 HA ALA 654 HA ALA 654 -0.897 6.673 12.177 777 1HB ALA 654 HB1 ALA 654 1.445 7.428 12.026 778 2HB ALA 654 HB2 ALA 654 0.552 8.411 13.196 779 3HB ALA 654 HB3 ALA 654 1.668 7.149 13.766 780 H GLU 655 H GLU 655 0.771 4.563 14.554 781 HA GLU 655 HA GLU 655 1.647 2.586 12.666 782 1HB GLU 655 HB2 GLU 655 2.452 2.714 14.992 783 2HB GLU 655 HB3 GLU 655 0.844 2.265 15.588 784 1HG GLU 655 HG2 GLU 655 1.020 0.076 14.481 785 2HG GLU 655 HG3 GLU 655 2.540 0.553 13.722 786 H LYS 656 H LYS 656 -1.499 2.960 14.437 787 HA LYS 656 HA LYS 656 -2.705 0.637 13.247 788 1HB LYS 656 HB2 LYS 656 -3.717 1.586 15.194 789 2HB LYS 656 HB3 LYS 656 -3.968 3.156 14.404 790 1HG LYS 656 HG2 LYS 656 -5.557 2.229 12.866 791 2HG LYS 656 HG3 LYS 656 -5.175 0.572 13.352 792 1HD LYS 656 HD2 LYS 656 -6.239 0.935 15.527 793 2HD LYS 656 HD3 LYS 656 -6.546 2.645 15.115 794 1HE LYS 656 HE2 LYS 656 -7.865 1.956 13.145 795 2HE LYS 656 HE3 LYS 656 -7.520 0.258 13.462 796 1HZ LYS 656 HZ1 LYS 656 -9.057 2.008 15.304 797 2HZ LYS 656 HZ2 LYS 656 -9.728 0.950 14.245 798 3HZ LYS 656 HZ3 LYS 656 -8.813 0.382 15.464 799 H ILE 657 H ILE 657 -2.713 4.059 12.079 800 HA ILE 657 HA ILE 657 -4.122 3.589 9.649 801 HB ILE 657 HB ILE 657 -1.866 5.540 10.279 802 1HG1 ILE 657 HG12 ILE 657 -4.877 5.683 10.186 803 2HG1 ILE 657 HG13 ILE 657 -3.742 6.295 11.402 804 1HG2 ILE 657 HG21 ILE 657 -3.361 5.249 7.658 805 2HG2 ILE 657 HG22 ILE 657 -2.329 6.637 8.080 806 3HG2 ILE 657 HG23 ILE 657 -1.620 5.065 7.918 807 1HD1 ILE 657 HD11 ILE 657 -4.703 8.188 10.358 808 2HD1 ILE 657 HD12 ILE 657 -3.045 8.069 9.746 809 3HD1 ILE 657 HD13 ILE 657 -4.417 7.558 8.732 810 H TYR 658 H TYR 658 -0.558 3.399 10.122 811 HA TYR 658 HA TYR 658 0.092 2.436 7.568 812 1HB TYR 658 HB2 TYR 658 1.637 3.331 9.281 813 2HB TYR 658 HB3 TYR 658 1.433 1.878 10.239 814 HD1 TYR 658 HD1 TYR 658 2.934 3.318 7.153 815 HD2 TYR 658 HD2 TYR 658 2.538 -0.234 9.598 816 HE1 TYR 658 HE1 TYR 658 4.954 2.364 6.126 817 HE2 TYR 658 HE2 TYR 658 4.578 -1.179 8.544 818 HH TYR 658 HH TYR 658 6.267 -0.848 7.019 819 H LYS 659 H LYS 659 -0.688 0.487 10.498 820 HA LYS 659 HA LYS 659 -0.270 -2.044 9.311 821 1HB LYS 659 HB2 LYS 659 -0.373 -1.688 11.710 822 2HB LYS 659 HB3 LYS 659 -2.085 -1.255 11.640 823 1HG LYS 659 HG2 LYS 659 -1.292 -3.860 10.385 824 2HG LYS 659 HG3 LYS 659 -1.127 -3.782 12.135 825 1HD LYS 659 HD2 LYS 659 -3.382 -3.528 12.526 826 2HD LYS 659 HD3 LYS 659 -3.756 -2.866 10.942 827 1HE LYS 659 HE2 LYS 659 -2.794 -5.727 11.289 828 2HE LYS 659 HE3 LYS 659 -4.503 -5.298 11.429 829 1HZ LYS 659 HZ1 LYS 659 -4.519 -4.534 9.186 830 2HZ LYS 659 HZ2 LYS 659 -2.896 -4.611 9.022 831 3HZ LYS 659 HZ3 LYS 659 -3.783 -5.982 9.119 832 H ILE 660 H ILE 660 -3.393 -0.199 9.408 833 HA ILE 660 HA ILE 660 -4.753 -2.327 7.905 834 HB ILE 660 HB ILE 660 -5.516 0.571 8.446 835 1HG1 ILE 660 HG12 ILE 660 -7.595 -0.870 9.357 836 2HG1 ILE 660 HG13 ILE 660 -6.419 -2.168 9.432 837 1HG2 ILE 660 HG21 ILE 660 -7.719 -0.080 7.331 838 2HG2 ILE 660 HG22 ILE 660 -6.374 0.138 6.226 839 3HG2 ILE 660 HG23 ILE 660 -6.907 -1.502 6.689 840 1HD1 ILE 660 HD11 ILE 660 -6.810 -0.928 11.558 841 2HD1 ILE 660 HD12 ILE 660 -5.103 -0.901 11.058 842 3HD1 ILE 660 HD13 ILE 660 -6.144 0.529 10.821 843 H GLN 661 H GLN 661 -3.049 0.667 7.012 844 HA GLN 661 HA GLN 661 -3.849 0.690 4.283 845 1HB GLN 661 HB2 GLN 661 -2.762 2.566 5.674 846 2HB GLN 661 HB3 GLN 661 -1.221 1.783 5.365 847 1HG GLN 661 HG2 GLN 661 -1.298 3.379 3.672 848 2HG GLN 661 HG3 GLN 661 -1.898 1.952 2.838 849 1HE2 GLN 661 HE22 GLN 661 -3.312 2.911 1.322 850 2HE2 GLN 661 HE21 GLN 661 -4.670 3.934 1.807 851 H LYS 662 H LYS 662 -0.826 -0.567 5.734 852 HA LYS 662 HA LYS 662 0.321 -1.458 3.229 853 1HB LYS 662 HB2 LYS 662 0.998 -2.033 6.147 854 2HB LYS 662 HB3 LYS 662 2.019 -2.521 4.812 855 1HG LYS 662 HG2 LYS 662 1.301 0.367 5.452 856 2HG LYS 662 HG3 LYS 662 2.764 -0.474 5.944 857 1HD LYS 662 HD2 LYS 662 3.512 0.699 4.096 858 2HD LYS 662 HD3 LYS 662 3.197 -0.901 3.435 859 1HE LYS 662 HE2 LYS 662 0.742 0.464 3.146 860 2HE LYS 662 HE3 LYS 662 1.925 1.731 2.873 861 1HZ LYS 662 HZ1 LYS 662 1.260 0.487 0.839 862 2HZ LYS 662 HZ2 LYS 662 2.886 0.418 1.092 863 3HZ LYS 662 HZ3 LYS 662 1.942 -0.875 1.424 864 H GLU 663 H GLU 663 -1.662 -3.139 5.597 865 HA GLU 663 HA GLU 663 -1.241 -5.732 4.290 866 1HB GLU 663 HB2 GLU 663 -1.988 -5.639 6.615 867 2HB GLU 663 HB3 GLU 663 -3.509 -4.856 6.128 868 1HG GLU 663 HG2 GLU 663 -4.177 -6.791 4.839 869 2HG GLU 663 HG3 GLU 663 -2.571 -7.519 4.988 870 H LEU 664 H LEU 664 -3.993 -3.338 4.135 871 HA LEU 664 HA LEU 664 -5.390 -4.914 2.202 872 1HB LEU 664 HB2 LEU 664 -5.650 -2.114 3.279 873 2HB LEU 664 HB3 LEU 664 -6.496 -2.537 1.799 874 HG LEU 664 HG LEU 664 -7.604 -4.445 2.905 875 1HD1 LEU 664 HD11 LEU 664 -7.703 -4.550 5.384 876 2HD1 LEU 664 HD12 LEU 664 -6.113 -5.018 4.753 877 3HD1 LEU 664 HD13 LEU 664 -6.353 -3.408 5.475 878 1HD2 LEU 664 HD21 LEU 664 -8.699 -2.273 2.784 879 2HD2 LEU 664 HD22 LEU 664 -9.108 -3.114 4.292 880 3HD2 LEU 664 HD23 LEU 664 -7.941 -1.774 4.318 881 H GLU 665 H GLU 665 -2.987 -2.304 1.673 882 HA GLU 665 HA GLU 665 -3.305 -2.205 -1.154 883 1HB GLU 665 HB2 GLU 665 -1.051 -1.482 0.731 884 2HB GLU 665 HB3 GLU 665 -0.876 -1.328 -1.018 885 1HG GLU 665 HG2 GLU 665 -2.833 0.113 -1.182 886 2HG GLU 665 HG3 GLU 665 -3.142 -0.036 0.547 887 H GLU 666 H GLU 666 -2.280 -4.952 0.521 888 HA GLU 666 HA GLU 666 -1.318 -6.025 -2.100 889 1HB GLU 666 HB2 GLU 666 0.195 -7.548 -1.059 890 2HB GLU 666 HB3 GLU 666 0.630 -5.890 -0.665 891 1HG GLU 666 HG2 GLU 666 -0.284 -6.143 1.598 892 2HG GLU 666 HG3 GLU 666 -0.884 -7.759 1.214 893 H LYS 667 H LYS 667 -3.177 -6.699 0.845 894 HA LYS 667 HA LYS 667 -4.180 -9.276 -0.046 895 1HB LYS 667 HB2 LYS 667 -5.278 -7.254 1.952 896 2HB LYS 667 HB3 LYS 667 -5.941 -8.864 1.702 897 1HG LYS 667 HG2 LYS 667 -3.153 -8.232 2.746 898 2HG LYS 667 HG3 LYS 667 -4.550 -8.814 3.659 899 1HD LYS 667 HD2 LYS 667 -4.497 -10.899 2.166 900 2HD LYS 667 HD3 LYS 667 -2.960 -10.306 1.544 901 1HE LYS 667 HE2 LYS 667 -2.483 -11.910 3.255 902 2HE LYS 667 HE3 LYS 667 -1.983 -10.316 3.818 903 1HZ LYS 667 HZ1 LYS 667 -4.560 -11.582 4.598 904 2HZ LYS 667 HZ2 LYS 667 -3.200 -11.677 5.492 905 3HZ LYS 667 HZ3 LYS 667 -3.893 -10.231 5.271 906 H ARG 668 H ARG 668 -5.208 -6.004 -0.798 907 HA ARG 668 HA ARG 668 -7.634 -7.046 -2.258 908 1HB ARG 668 HB2 ARG 668 -7.278 -4.390 -0.816 909 2HB ARG 668 HB3 ARG 668 -8.737 -4.929 -1.614 910 1HG ARG 668 HG2 ARG 668 -7.551 -6.324 0.831 911 2HG ARG 668 HG3 ARG 668 -8.746 -5.049 0.878 912 1HD ARG 668 HD2 ARG 668 -9.930 -7.058 1.111 913 2HD ARG 668 HD3 ARG 668 -10.293 -6.450 -0.509 914 HE ARG 668 HE ARG 668 -8.088 -8.300 -0.570 915 1HH1 ARG 668 HH11 ARG 668 -11.602 -8.418 -0.274 916 2HH1 ARG 668 HH12 ARG 668 -11.628 -10.088 -0.780 917 1HH2 ARG 668 HH21 ARG 668 -8.214 -10.299 -1.245 918 2HH2 ARG 668 HH22 ARG 668 -9.744 -11.141 -1.326 919 H ARG 669 H ARG 669 -4.703 -5.862 -3.006 920 HA ARG 669 HA ARG 669 -5.697 -4.636 -5.563 921 1HB ARG 669 HB2 ARG 669 -3.327 -3.668 -3.917 922 2HB ARG 669 HB3 ARG 669 -3.821 -3.048 -5.492 923 1HG ARG 669 HG2 ARG 669 -6.045 -2.387 -4.478 924 2HG ARG 669 HG3 ARG 669 -5.401 -2.860 -2.900 925 1HD ARG 669 HD2 ARG 669 -5.119 -0.519 -3.040 926 2HD ARG 669 HD3 ARG 669 -3.516 -1.220 -3.240 927 HE ARG 669 HE ARG 669 -5.245 -0.207 -5.491 928 1HH1 ARG 669 HH11 ARG 669 -1.993 -0.510 -4.189 929 2HH1 ARG 669 HH12 ARG 669 -1.312 0.456 -5.468 930 1HH2 ARG 669 HH21 ARG 669 -4.296 1.004 -7.069 931 2HH2 ARG 669 HH22 ARG 669 -2.579 1.266 -7.057 932 H SER 670 H SER 670 -4.448 -7.385 -4.631 933 HA SER 670 HA SER 670 -1.994 -7.780 -5.974 934 1HB SER 670 HB2 SER 670 -2.613 -10.170 -5.831 935 2HB SER 670 HB3 SER 670 -2.879 -9.306 -4.309 936 HG SER 670 HG SER 670 -4.666 -10.583 -4.767 937 H ARG 671 H ARG 671 -5.170 -7.473 -7.337 938 HA ARG 671 HA ARG 671 -4.719 -8.841 -9.857 939 1HB ARG 671 HB2 ARG 671 -6.712 -6.626 -9.200 940 2HB ARG 671 HB3 ARG 671 -6.795 -7.747 -10.553 941 1HG ARG 671 HG2 ARG 671 -7.194 -8.407 -7.611 942 2HG ARG 671 HG3 ARG 671 -8.389 -8.419 -8.906 943 1HD ARG 671 HD2 ARG 671 -7.041 -10.248 -10.032 944 2HD ARG 671 HD3 ARG 671 -6.037 -10.337 -8.583 945 HE ARG 671 HE ARG 671 -8.782 -11.300 -8.946 946 1HH1 ARG 671 HH11 ARG 671 -6.410 -10.516 -6.445 947 2HH1 ARG 671 HH12 ARG 671 -7.263 -11.462 -5.263 948 1HH2 ARG 671 HH21 ARG 671 -9.780 -12.465 -7.362 949 2HH2 ARG 671 HH22 ARG 671 -9.081 -12.558 -5.773 950 H LEU 672 H LEU 672 -3.302 -6.006 -8.762 951 HA LEU 672 HA LEU 672 -3.176 -4.697 -11.439 952 1HB LEU 672 HB2 LEU 672 -2.492 -3.587 -8.692 953 2HB LEU 672 HB3 LEU 672 -2.580 -2.685 -10.198 954 HG LEU 672 HG LEU 672 -4.933 -3.980 -8.742 955 1HD1 LEU 672 HD11 LEU 672 -3.990 -1.982 -7.647 956 2HD1 LEU 672 HD12 LEU 672 -4.181 -1.061 -9.156 957 3HD1 LEU 672 HD13 LEU 672 -5.612 -1.682 -8.297 958 1HD2 LEU 672 HD21 LEU 672 -6.345 -2.762 -10.370 959 2HD2 LEU 672 HD22 LEU 672 -4.889 -2.264 -11.263 960 3HD2 LEU 672 HD23 LEU 672 -5.346 -3.979 -11.170 961 1H SER 839 H1 SER 839 -8.165 -14.805 15.623 962 2H SER 839 H2 SER 839 -8.765 -14.057 16.955 963 3H SER 839 H3 SER 839 -9.173 -15.612 16.636 964 HA SER 839 HA SER 839 -6.888 -16.317 16.954 965 1HB SER 839 HB2 SER 839 -5.247 -14.742 17.825 966 2HB SER 839 HB3 SER 839 -5.899 -14.113 16.306 967 HG SER 839 HG SER 839 -5.929 -12.460 17.785 968 H ASP 840 H ASP 840 -5.766 -16.086 19.383 969 HA ASP 840 HA ASP 840 -7.819 -16.930 21.237 970 1HB ASP 840 HB2 ASP 840 -5.997 -17.403 22.708 971 2HB ASP 840 HB3 ASP 840 -5.552 -17.924 21.091 972 H ALA 841 H ALA 841 -6.783 -13.765 20.464 973 HA ALA 841 HA ALA 841 -7.851 -12.702 23.045 974 1HB ALA 841 HB1 ALA 841 -5.149 -11.988 21.824 975 2HB ALA 841 HB2 ALA 841 -5.887 -11.212 23.243 976 3HB ALA 841 HB3 ALA 841 -5.420 -12.922 23.314 977 H GLY 842 H GLY 842 -7.040 -11.963 19.626 978 1HA GLY 842 HA2 GLY 842 -9.052 -10.558 18.707 979 2HA GLY 842 HA3 GLY 842 -8.431 -9.333 19.809 980 H ASN 843 H ASN 843 -8.474 -8.292 17.578 981 HA ASN 843 HA ASN 843 -5.705 -8.139 16.567 982 1HB ASN 843 HB2 ASN 843 -6.890 -9.780 15.074 983 2HB ASN 843 HB3 ASN 843 -8.140 -8.576 14.762 984 1HD2 ASN 843 HD22 ASN 843 -7.832 -8.115 12.564 985 2HD2 ASN 843 HD21 ASN 843 -6.264 -7.680 11.906 986 H ILE 844 H ILE 844 -5.312 -6.094 15.431 987 HA ILE 844 HA ILE 844 -6.664 -3.781 16.467 988 HB ILE 844 HB ILE 844 -4.869 -4.155 14.055 989 1HG1 ILE 844 HG12 ILE 844 -3.762 -4.603 16.216 990 2HG1 ILE 844 HG13 ILE 844 -3.088 -3.221 15.374 991 1HG2 ILE 844 HG21 ILE 844 -6.076 -2.149 13.547 992 2HG2 ILE 844 HG22 ILE 844 -5.975 -1.568 15.210 993 3HG2 ILE 844 HG23 ILE 844 -4.515 -1.630 14.186 994 1HD1 ILE 844 HD11 ILE 844 -3.247 -2.794 17.779 995 2HD1 ILE 844 HD12 ILE 844 -4.286 -1.671 16.891 996 3HD1 ILE 844 HD13 ILE 844 -4.996 -3.060 17.752 997 H LEU 845 H LEU 845 -7.360 -5.754 13.658 998 HA LEU 845 HA LEU 845 -9.660 -3.993 12.903 999 1HB LEU 845 HB2 LEU 845 -7.788 -3.830 11.323 1000 2HB LEU 845 HB3 LEU 845 -7.767 -5.579 11.149 1001 HG LEU 845 HG LEU 845 -10.051 -5.468 10.137 1002 1HD1 LEU 845 HD11 LEU 845 -10.895 -3.327 10.959 1003 2HD1 LEU 845 HD12 LEU 845 -9.599 -2.467 10.106 1004 3HD1 LEU 845 HD13 LEU 845 -10.846 -3.334 9.177 1005 1HD2 LEU 845 HD21 LEU 845 -7.999 -5.560 8.764 1006 2HD2 LEU 845 HD22 LEU 845 -9.270 -4.620 7.964 1007 3HD2 LEU 845 HD23 LEU 845 -7.926 -3.785 8.759 1008 HA PRO 846 HA PRO 846 -11.357 -7.936 14.708 1009 1HB PRO 846 HB2 PRO 846 -13.645 -5.933 14.503 1010 2HB PRO 846 HB3 PRO 846 -13.391 -7.208 15.753 1011 1HG PRO 846 HG2 PRO 846 -12.707 -4.695 16.304 1012 2HG PRO 846 HG3 PRO 846 -11.480 -5.978 16.619 1013 1HD PRO 846 HD2 PRO 846 -11.780 -4.217 14.165 1014 2HD PRO 846 HD3 PRO 846 -10.322 -4.494 15.172 1015 H SER 847 H SER 847 -12.514 -9.584 13.709 1016 HA SER 847 HA SER 847 -12.402 -9.718 10.957 1017 1HB SER 847 HB2 SER 847 -13.727 -11.812 11.163 1018 2HB SER 847 HB3 SER 847 -12.363 -11.689 12.284 1019 HG SER 847 HG SER 847 -14.279 -12.431 13.324 1020 H ASP 848 H ASP 848 -15.345 -8.840 12.800 1021 HA ASP 848 HA ASP 848 -17.119 -8.973 10.551 1022 1HB ASP 848 HB2 ASP 848 -17.787 -8.988 12.957 1023 2HB ASP 848 HB3 ASP 848 -17.363 -7.278 13.065 1024 H ILE 849 H ILE 849 -15.253 -6.207 11.892 1025 HA ILE 849 HA ILE 849 -16.213 -4.344 9.826 1026 HB ILE 849 HB ILE 849 -14.152 -4.124 12.053 1027 1HG1 ILE 849 HG12 ILE 849 -15.565 -2.157 12.651 1028 2HG1 ILE 849 HG13 ILE 849 -16.633 -2.484 11.298 1029 1HG2 ILE 849 HG21 ILE 849 -13.733 -1.789 11.319 1030 2HG2 ILE 849 HG22 ILE 849 -13.115 -2.951 10.160 1031 3HG2 ILE 849 HG23 ILE 849 -14.637 -2.104 9.823 1032 1HD1 ILE 849 HD11 ILE 849 -17.527 -3.178 13.516 1033 2HD1 ILE 849 HD12 ILE 849 -17.438 -4.519 12.371 1034 3HD1 ILE 849 HD13 ILE 849 -16.213 -4.365 13.661 1035 H MET 850 H MET 850 -13.327 -6.388 10.350 1036 HA MET 850 HA MET 850 -11.792 -5.586 8.137 1037 1HB MET 850 HB2 MET 850 -11.178 -7.279 9.960 1038 2HB MET 850 HB3 MET 850 -12.098 -8.476 9.065 1039 1HG MET 850 HG2 MET 850 -10.634 -8.317 7.160 1040 2HG MET 850 HG3 MET 850 -9.875 -6.859 7.777 1041 1HE MET 850 HE1 MET 850 -8.018 -9.046 6.690 1042 2HE MET 850 HE2 MET 850 -7.422 -7.597 7.533 1043 3HE MET 850 HE3 MET 850 -6.818 -9.202 7.990 1044 H ASP 851 H ASP 851 -14.251 -8.241 8.216 1045 HA ASP 851 HA ASP 851 -14.176 -8.867 5.483 1046 1HB ASP 851 HB2 ASP 851 -15.224 -10.222 7.265 1047 2HB ASP 851 HB3 ASP 851 -16.525 -9.033 7.410 1048 H PHE 852 H PHE 852 -16.135 -6.311 7.084 1049 HA PHE 852 HA PHE 852 -17.599 -5.519 4.745 1050 1HB PHE 852 HB2 PHE 852 -18.290 -4.785 6.939 1051 2HB PHE 852 HB3 PHE 852 -16.754 -3.985 7.228 1052 HD1 PHE 852 HD1 PHE 852 -16.428 -1.712 6.616 1053 HD2 PHE 852 HD2 PHE 852 -19.752 -3.917 4.972 1054 HE1 PHE 852 HE1 PHE 852 -17.317 0.373 5.607 1055 HE2 PHE 852 HE2 PHE 852 -20.626 -1.831 3.945 1056 HZ PHE 852 HZ PHE 852 -19.399 0.317 4.251 1057 H VAL 853 H VAL 853 -14.451 -4.239 6.053 1058 HA VAL 853 HA VAL 853 -14.056 -2.486 3.797 1059 HB VAL 853 HB VAL 853 -11.834 -3.624 5.571 1060 1HG1 VAL 853 HG11 VAL 853 -11.097 -2.492 3.454 1061 2HG1 VAL 853 HG12 VAL 853 -12.106 -1.094 3.841 1062 3HG1 VAL 853 HG13 VAL 853 -10.716 -1.495 4.864 1063 1HG2 VAL 853 HG21 VAL 853 -13.470 -2.481 7.001 1064 2HG2 VAL 853 HG22 VAL 853 -11.981 -1.554 6.826 1065 3HG2 VAL 853 HG23 VAL 853 -13.446 -1.070 5.925 1066 H LEU 854 H LEU 854 -13.029 -5.884 4.364 1067 HA LEU 854 HA LEU 854 -11.489 -6.061 1.980 1068 1HB LEU 854 HB2 LEU 854 -12.891 -8.394 3.345 1069 2HB LEU 854 HB3 LEU 854 -11.578 -8.466 2.190 1070 HG LEU 854 HG LEU 854 -11.479 -7.933 5.106 1071 1HD1 LEU 854 HD11 LEU 854 -9.631 -9.482 4.996 1072 2HD1 LEU 854 HD12 LEU 854 -11.046 -10.148 4.168 1073 3HD1 LEU 854 HD13 LEU 854 -9.695 -9.483 3.222 1074 1HD2 LEU 854 HD21 LEU 854 -9.217 -7.085 5.041 1075 2HD2 LEU 854 HD22 LEU 854 -9.248 -7.028 3.259 1076 3HD2 LEU 854 HD23 LEU 854 -10.281 -5.941 4.221 1077 H LYS 855 H LYS 855 -14.970 -6.411 2.421 1078 HA LYS 855 HA LYS 855 -15.479 -7.486 -0.261 1079 1HB LYS 855 HB2 LYS 855 -17.172 -6.395 1.994 1080 2HB LYS 855 HB3 LYS 855 -17.865 -6.606 0.382 1081 1HG LYS 855 HG2 LYS 855 -17.286 -8.971 0.340 1082 2HG LYS 855 HG3 LYS 855 -16.467 -8.840 1.912 1083 1HD LYS 855 HD2 LYS 855 -18.562 -8.331 3.010 1084 2HD LYS 855 HD3 LYS 855 -19.396 -8.136 1.459 1085 1HE LYS 855 HE2 LYS 855 -20.041 -10.258 2.249 1086 2HE LYS 855 HE3 LYS 855 -18.923 -10.541 0.920 1087 1HZ LYS 855 HZ1 LYS 855 -18.177 -10.641 3.804 1088 2HZ LYS 855 HZ2 LYS 855 -18.460 -11.961 2.872 1089 3HZ LYS 855 HZ3 LYS 855 -17.182 -10.987 2.573 1090 H ASN 856 H ASN 856 -15.428 -4.229 1.156 1091 HA ASN 856 HA ASN 856 -16.607 -2.961 -1.201 1092 1HB ASN 856 HB2 ASN 856 -15.391 -1.968 1.397 1093 2HB ASN 856 HB3 ASN 856 -15.800 -0.887 0.066 1094 1HD2 ASN 856 HD22 ASN 856 -17.192 -3.036 2.501 1095 2HD2 ASN 856 HD21 ASN 856 -18.816 -2.396 2.306 1096 H THR 857 H THR 857 -13.253 -3.267 0.024 1097 HA THR 857 HA THR 857 -12.264 -1.207 -1.699 1098 HB THR 857 HB THR 857 -9.988 -2.014 -0.958 1099 HG1 THR 857 HG1 THR 857 -11.460 -3.533 0.905 1100 1HG2 THR 857 HG21 THR 857 -11.172 -0.195 0.174 1101 2HG2 THR 857 HG22 THR 857 -12.085 -1.353 1.160 1102 3HG2 THR 857 HG23 THR 857 -10.322 -1.207 1.352 1103 HA PRO 858 HA PRO 858 -10.298 -4.307 -4.638 1104 1HB PRO 858 HB2 PRO 858 -10.833 -6.928 -4.719 1105 2HB PRO 858 HB3 PRO 858 -9.986 -6.251 -3.297 1106 1HG PRO 858 HG2 PRO 858 -12.962 -6.816 -3.586 1107 2HG PRO 858 HG3 PRO 858 -11.861 -7.351 -2.284 1108 1HD PRO 858 HD2 PRO 858 -13.420 -5.073 -2.151 1109 2HD PRO 858 HD3 PRO 858 -11.862 -5.226 -1.292 1110 H SER 859 H SER 859 -10.769 -5.478 -6.737 1111 HA SER 859 HA SER 859 -13.250 -4.732 -8.046 1112 1HB SER 859 HB2 SER 859 -11.115 -6.743 -8.878 1113 2HB SER 859 HB3 SER 859 -12.378 -6.061 -9.920 1114 HG SER 859 HG SER 859 -10.417 -4.935 -10.180 1115 H MET 860 H MET 860 -14.752 -6.350 -9.067 1116 HA MET 860 HA MET 860 -15.007 -8.948 -7.653 1117 1HB MET 860 HB2 MET 860 -16.161 -7.072 -6.356 1118 2HB MET 860 HB3 MET 860 -17.287 -6.924 -7.707 1119 1HG MET 860 HG2 MET 860 -17.970 -9.282 -7.382 1120 2HG MET 860 HG3 MET 860 -16.793 -9.459 -6.079 1121 1HE MET 860 HE1 MET 860 -17.080 -6.841 -4.271 1122 2HE MET 860 HE2 MET 860 -18.336 -7.395 -3.150 1123 3HE MET 860 HE3 MET 860 -17.053 -8.512 -3.659 1124 H GLN 861 H GLN 861 -16.113 -10.515 -8.772 1125 HA GLN 861 HA GLN 861 -16.179 -10.323 -11.613 1126 1HB GLN 861 HB2 GLN 861 -17.298 -12.439 -9.731 1127 2HB GLN 861 HB3 GLN 861 -17.163 -12.617 -11.485 1128 1HG GLN 861 HG2 GLN 861 -14.687 -12.219 -11.298 1129 2HG GLN 861 HG3 GLN 861 -14.840 -12.275 -9.540 1130 1HE2 GLN 861 HE22 GLN 861 -13.558 -14.151 -11.730 1131 2HE2 GLN 861 HE21 GLN 861 -14.160 -15.727 -11.236 1132 H ALA 862 H ALA 862 -18.591 -9.234 -9.479 1133 HA ALA 862 HA ALA 862 -21.005 -9.719 -10.843 1134 1HB ALA 862 HB1 ALA 862 -20.109 -7.267 -9.265 1135 2HB ALA 862 HB2 ALA 862 -21.787 -7.724 -9.625 1136 3HB ALA 862 HB3 ALA 862 -20.797 -8.757 -8.579 1137 H LEU 863 H LEU 863 -18.360 -7.661 -11.873 1138 HA LEU 863 HA LEU 863 -19.776 -6.001 -13.719 1139 1HB LEU 863 HB2 LEU 863 -17.621 -5.479 -14.635 1140 2HB LEU 863 HB3 LEU 863 -17.554 -5.535 -12.889 1141 HG LEU 863 HG LEU 863 -16.612 -7.995 -13.254 1142 1HD1 LEU 863 HD11 LEU 863 -16.885 -8.113 -15.724 1143 2HD1 LEU 863 HD12 LEU 863 -15.903 -6.649 -15.906 1144 3HD1 LEU 863 HD13 LEU 863 -15.185 -8.149 -15.279 1145 1HD2 LEU 863 HD21 LEU 863 -14.333 -7.069 -13.329 1146 2HD2 LEU 863 HD22 LEU 863 -14.973 -5.503 -13.883 1147 3HD2 LEU 863 HD23 LEU 863 -15.365 -6.112 -12.260 1148 H GLY 864 H GLY 864 -18.974 -9.391 -13.955 1149 1HA GLY 864 HA2 GLY 864 -20.686 -10.246 -15.767 1150 2HA GLY 864 HA3 GLY 864 -19.519 -9.528 -16.877 1151 H GLU 865 H GLU 865 -20.227 -12.247 -16.877 1152 HA GLU 865 HA GLU 865 -18.201 -13.875 -15.586 1153 1HB GLU 865 HB2 GLU 865 -19.167 -15.711 -16.787 1154 2HB GLU 865 HB3 GLU 865 -20.450 -14.704 -16.127 1155 1HG GLU 865 HG2 GLU 865 -20.726 -13.646 -18.404 1156 2HG GLU 865 HG3 GLU 865 -19.525 -14.776 -19.034 1157 H SER 866 H SER 866 -16.800 -15.386 -16.818 1158 HA SER 866 HA SER 866 -15.626 -14.354 -19.342 1159 1HB SER 866 HB2 SER 866 -14.419 -13.237 -17.510 1160 2HB SER 866 HB3 SER 866 -13.968 -14.809 -16.837 1161 HG SER 866 HG SER 866 -12.732 -15.219 -18.645 1162 HA PRO 867 HA PRO 867 -16.286 -18.935 -19.480 1163 1HB PRO 867 HB2 PRO 867 -15.991 -18.197 -22.392 1164 2HB PRO 867 HB3 PRO 867 -17.118 -19.364 -21.633 1165 1HG PRO 867 HG2 PRO 867 -17.996 -16.913 -22.368 1166 2HG PRO 867 HG3 PRO 867 -18.487 -17.596 -20.782 1167 1HD PRO 867 HD2 PRO 867 -16.300 -15.585 -21.367 1168 2HD PRO 867 HD3 PRO 867 -17.541 -15.562 -20.080 1169 H GLU 868 H GLU 868 -15.026 -20.705 -20.369 1170 HA GLU 868 HA GLU 868 -12.204 -20.164 -21.162 1171 1HB GLU 868 HB2 GLU 868 -13.103 -21.894 -18.816 1172 2HB GLU 868 HB3 GLU 868 -11.479 -21.908 -19.509 1173 1HG GLU 868 HG2 GLU 868 -11.230 -19.488 -18.969 1174 2HG GLU 868 HG3 GLU 868 -12.809 -19.516 -18.175 1175 H SER 869 H SER 869 -11.084 -22.174 -21.849 1176 HA SER 869 HA SER 869 -12.697 -24.430 -22.803 1177 1HB SER 869 HB2 SER 869 -12.003 -24.174 -25.154 1178 2HB SER 869 HB3 SER 869 -13.078 -22.878 -24.619 1179 HG SER 869 HG SER 869 -11.229 -21.535 -24.334 Start of MODEL 3 1 1H LYS 291 H1 LYS 291 11.500 1.377 -0.731 2 2H LYS 291 H2 LYS 291 12.259 2.813 -0.906 3 3H LYS 291 H3 LYS 291 12.715 1.792 0.287 4 HA LYS 291 HA LYS 291 10.092 3.153 0.117 5 1HB LYS 291 HB2 LYS 291 11.246 1.421 2.348 6 2HB LYS 291 HB3 LYS 291 9.757 2.343 2.438 7 1HG LYS 291 HG2 LYS 291 8.681 0.981 0.740 8 2HG LYS 291 HG3 LYS 291 10.172 0.062 0.476 9 1HD LYS 291 HD2 LYS 291 10.126 -0.715 2.834 10 2HD LYS 291 HD3 LYS 291 8.600 0.158 3.086 11 1HE LYS 291 HE2 LYS 291 7.520 -1.209 1.324 12 2HE LYS 291 HE3 LYS 291 9.047 -2.042 1.013 13 1HZ LYS 291 HZ1 LYS 291 8.974 -2.912 3.284 14 2HZ LYS 291 HZ2 LYS 291 7.567 -2.140 3.591 15 3HZ LYS 291 HZ3 LYS 291 7.620 -3.342 2.487 16 H GLU 292 H GLU 292 10.129 5.241 0.814 17 HA GLU 292 HA GLU 292 11.629 5.901 3.209 18 1HB GLU 292 HB2 GLU 292 13.399 6.246 1.494 19 2HB GLU 292 HB3 GLU 292 12.371 7.395 0.645 20 1HG GLU 292 HG2 GLU 292 12.395 8.882 2.641 21 2HG GLU 292 HG3 GLU 292 13.352 7.691 3.523 22 H LYS 293 H LYS 293 10.361 7.920 0.521 23 HA LYS 293 HA LYS 293 9.243 9.913 2.152 24 1HB LYS 293 HB2 LYS 293 9.849 10.235 -0.174 25 2HB LYS 293 HB3 LYS 293 8.645 9.077 -0.716 26 1HG LYS 293 HG2 LYS 293 8.009 11.394 -1.159 27 2HG LYS 293 HG3 LYS 293 6.827 10.573 -0.144 28 1HD LYS 293 HD2 LYS 293 7.511 11.778 1.815 29 2HD LYS 293 HD3 LYS 293 8.988 12.380 1.024 30 1HE LYS 293 HE2 LYS 293 7.731 13.765 -0.487 31 2HE LYS 293 HE3 LYS 293 6.199 13.016 -0.018 32 1HZ LYS 293 HZ1 LYS 293 6.315 14.023 2.106 33 2HZ LYS 293 HZ2 LYS 293 7.856 14.577 1.884 34 3HZ LYS 293 HZ3 LYS 293 6.610 15.212 1.035 35 H ARG 294 H ARG 294 7.291 7.453 0.429 36 HA ARG 294 HA ARG 294 4.829 8.319 1.512 37 1HB ARG 294 HB2 ARG 294 5.183 6.919 -0.505 38 2HB ARG 294 HB3 ARG 294 5.523 5.520 0.507 39 1HG ARG 294 HG2 ARG 294 2.913 7.059 0.829 40 2HG ARG 294 HG3 ARG 294 3.138 5.968 -0.532 41 1HD ARG 294 HD2 ARG 294 3.673 4.108 1.066 42 2HD ARG 294 HD3 ARG 294 3.275 5.173 2.403 43 HE ARG 294 HE ARG 294 0.985 5.270 1.703 44 1HH1 ARG 294 HH21 ARG 294 2.745 2.952 -0.288 45 2HH1 ARG 294 HH22 ARG 294 1.298 1.962 -0.490 46 1HH2 ARG 294 HH11 ARG 294 -0.819 4.025 1.116 47 2HH2 ARG 294 HH12 ARG 294 -0.534 2.574 0.151 48 H ILE 295 H ILE 295 7.132 6.059 2.928 49 HA ILE 295 HA ILE 295 5.443 4.956 4.967 50 HB ILE 295 HB ILE 295 8.450 5.436 4.919 51 1HG1 ILE 295 HG12 ILE 295 7.708 4.005 3.074 52 2HG1 ILE 295 HG13 ILE 295 8.695 3.146 4.238 53 1HG2 ILE 295 HG21 ILE 295 6.814 3.746 6.837 54 2HG2 ILE 295 HG22 ILE 295 8.571 3.597 6.624 55 3HG2 ILE 295 HG23 ILE 295 7.879 5.106 7.220 56 1HD1 ILE 295 HD11 ILE 295 6.885 1.871 5.035 57 2HD1 ILE 295 HD12 ILE 295 5.651 2.933 4.315 58 3HD1 ILE 295 HD13 ILE 295 6.685 1.904 3.282 59 H LYS 296 H LYS 296 7.674 7.791 5.109 60 HA LYS 296 HA LYS 296 6.663 8.541 7.729 61 1HB LYS 296 HB2 LYS 296 8.964 9.137 6.903 62 2HB LYS 296 HB3 LYS 296 8.231 10.232 5.730 63 1HG LYS 296 HG2 LYS 296 9.020 11.493 7.654 64 2HG LYS 296 HG3 LYS 296 7.261 11.579 7.594 65 1HD LYS 296 HD2 LYS 296 7.162 9.760 9.348 66 2HD LYS 296 HD3 LYS 296 8.934 9.785 9.418 67 1HE LYS 296 HE2 LYS 296 8.811 12.192 10.112 68 2HE LYS 296 HE3 LYS 296 7.044 12.100 10.026 69 1HZ LYS 296 HZ1 LYS 296 7.204 10.251 11.704 70 2HZ LYS 296 HZ2 LYS 296 8.788 10.582 11.884 71 3HZ LYS 296 HZ3 LYS 296 7.681 11.715 12.290 72 H GLU 297 H GLU 297 5.886 9.552 4.408 73 HA GLU 297 HA GLU 297 4.121 11.683 4.963 74 1HB GLU 297 HB2 GLU 297 5.034 10.819 2.709 75 2HB GLU 297 HB3 GLU 297 3.695 9.698 2.746 76 1HG GLU 297 HG2 GLU 297 3.026 11.648 1.517 77 2HG GLU 297 HG3 GLU 297 2.122 11.610 3.030 78 H LEU 298 H LEU 298 3.263 8.182 4.708 79 HA LEU 298 HA LEU 298 0.500 8.467 5.324 80 1HB LEU 298 HB2 LEU 298 1.521 6.437 4.334 81 2HB LEU 298 HB3 LEU 298 2.436 6.151 5.812 82 HG LEU 298 HG LEU 298 0.184 5.959 7.042 83 1HD1 LEU 298 HD11 LEU 298 -1.781 5.381 5.651 84 2HD1 LEU 298 HD12 LEU 298 -1.281 7.055 5.395 85 3HD1 LEU 298 HD13 LEU 298 -0.873 5.816 4.185 86 1HD2 LEU 298 HD21 LEU 298 -0.225 3.692 6.316 87 2HD2 LEU 298 HD22 LEU 298 0.780 3.947 4.862 88 3HD2 LEU 298 HD23 LEU 298 1.502 4.027 6.493 89 H GLU 299 H GLU 299 3.306 7.897 7.470 90 HA GLU 299 HA GLU 299 1.785 7.644 9.887 91 1HB GLU 299 HB2 GLU 299 4.144 6.819 9.463 92 2HB GLU 299 HB3 GLU 299 4.686 8.502 9.433 93 1HG GLU 299 HG2 GLU 299 3.744 8.714 11.806 94 2HG GLU 299 HG3 GLU 299 3.568 6.960 11.800 95 H LEU 300 H LEU 300 3.491 10.444 8.442 96 HA LEU 300 HA LEU 300 2.811 12.272 10.550 97 1HB LEU 300 HB2 LEU 300 4.831 12.379 9.185 98 2HB LEU 300 HB3 LEU 300 3.901 12.683 7.726 99 HG LEU 300 HG LEU 300 3.537 14.629 10.001 100 1HD1 LEU 300 HD11 LEU 300 5.566 15.872 9.344 101 2HD1 LEU 300 HD12 LEU 300 5.961 14.290 10.026 102 3HD1 LEU 300 HD13 LEU 300 6.038 14.537 8.265 103 1HD2 LEU 300 HD21 LEU 300 2.377 14.957 7.784 104 2HD2 LEU 300 HD22 LEU 300 3.500 16.266 8.160 105 3HD2 LEU 300 HD23 LEU 300 3.960 15.008 6.992 106 H LEU 301 H LEU 301 1.064 11.308 7.642 107 HA LEU 301 HA LEU 301 -0.556 13.533 7.207 108 1HB LEU 301 HB2 LEU 301 -0.710 10.627 6.659 109 2HB LEU 301 HB3 LEU 301 -2.290 11.372 6.791 110 HG LEU 301 HG LEU 301 -0.106 12.507 4.995 111 1HD1 LEU 301 HD11 LEU 301 -0.633 10.217 4.268 112 2HD1 LEU 301 HD12 LEU 301 -2.373 10.586 4.291 113 3HD1 LEU 301 HD13 LEU 301 -1.295 11.398 3.130 114 1HD2 LEU 301 HD21 LEU 301 -2.001 13.612 3.874 115 2HD2 LEU 301 HD22 LEU 301 -3.141 12.862 5.013 116 3HD2 LEU 301 HD23 LEU 301 -1.967 14.066 5.581 117 H LEU 302 H LEU 302 -0.883 11.228 9.867 118 HA LEU 302 HA LEU 302 -3.362 12.409 10.921 119 1HB LEU 302 HB2 LEU 302 -1.209 10.500 11.904 120 2HB LEU 302 HB3 LEU 302 -2.345 11.201 13.062 121 HG LEU 302 HG LEU 302 -3.241 9.634 10.640 122 1HD1 LEU 302 HD11 LEU 302 -3.603 7.818 12.338 123 2HD1 LEU 302 HD12 LEU 302 -1.907 8.280 12.118 124 3HD1 LEU 302 HD13 LEU 302 -2.800 8.844 13.548 125 1HD2 LEU 302 HD21 LEU 302 -4.706 10.378 13.211 126 2HD2 LEU 302 HD22 LEU 302 -5.025 11.098 11.610 127 3HD2 LEU 302 HD23 LEU 302 -5.332 9.378 11.889 128 H MET 303 H MET 303 0.094 12.623 11.704 129 HA MET 303 HA MET 303 -0.085 14.269 13.965 130 1HB MET 303 HB2 MET 303 2.251 13.931 12.067 131 2HB MET 303 HB3 MET 303 2.329 14.577 13.712 132 1HG MET 303 HG2 MET 303 1.484 12.447 14.616 133 2HG MET 303 HG3 MET 303 1.376 11.781 12.985 134 1HE MET 303 HE1 MET 303 2.755 10.100 15.106 135 2HE MET 303 HE2 MET 303 2.577 9.758 13.369 136 3HE MET 303 HE3 MET 303 4.164 9.566 14.154 137 H SER 304 H SER 304 -0.104 15.263 10.592 138 HA SER 304 HA SER 304 0.724 17.962 10.845 139 1HB SER 304 HB2 SER 304 -0.472 18.330 8.749 140 2HB SER 304 HB3 SER 304 0.439 16.810 8.701 141 HG SER 304 HG SER 304 -1.658 16.534 7.874 142 H THR 305 H THR 305 -2.353 16.514 11.764 143 HA THR 305 HA THR 305 -4.103 18.658 11.449 144 HB THR 305 HB THR 305 -4.239 16.725 13.785 145 HG1 THR 305 HG1 THR 305 -4.049 15.364 12.201 146 1HG2 THR 305 HG21 THR 305 -6.006 18.436 13.773 147 2HG2 THR 305 HG22 THR 305 -6.359 18.093 12.073 148 3HG2 THR 305 HG23 THR 305 -6.670 16.860 13.328 149 H GLU 306 H GLU 306 -2.033 18.083 14.334 150 HA GLU 306 HA GLU 306 -3.139 20.270 15.823 151 1HB GLU 306 HB2 GLU 306 -1.298 20.026 17.334 152 2HB GLU 306 HB3 GLU 306 -1.931 18.455 16.884 153 1HG GLU 306 HG2 GLU 306 0.160 17.834 16.420 154 2HG GLU 306 HG3 GLU 306 0.072 18.856 14.988 155 H ASN 307 H ASN 307 -0.766 20.250 13.235 156 HA ASN 307 HA ASN 307 0.108 23.021 13.723 157 1HB ASN 307 HB2 ASN 307 1.634 21.370 12.666 158 2HB ASN 307 HB3 ASN 307 0.517 21.195 11.310 159 1HD2 ASN 307 HD22 ASN 307 0.584 22.733 9.622 160 2HD2 ASN 307 HD21 ASN 307 1.659 24.129 9.704 161 H GLU 308 H GLU 308 -2.125 21.291 11.461 162 HA GLU 308 HA GLU 308 -2.836 23.688 10.045 163 1HB GLU 308 HB2 GLU 308 -4.441 21.111 10.311 164 2HB GLU 308 HB3 GLU 308 -4.671 22.380 9.102 165 1HG GLU 308 HG2 GLU 308 -2.444 20.361 9.335 166 2HG GLU 308 HG3 GLU 308 -3.467 20.717 7.962 167 H LEU 309 H LEU 309 -4.370 22.181 12.890 168 HA LEU 309 HA LEU 309 -6.498 24.136 13.125 169 1HB LEU 309 HB2 LEU 309 -5.260 22.003 14.866 170 2HB LEU 309 HB3 LEU 309 -6.296 23.197 15.616 171 HG LEU 309 HG LEU 309 -8.202 22.594 14.338 172 1HD1 LEU 309 HD11 LEU 309 -7.297 22.085 12.125 173 2HD1 LEU 309 HD12 LEU 309 -6.476 20.646 12.764 174 3HD1 LEU 309 HD13 LEU 309 -8.247 20.721 12.721 175 1HD2 LEU 309 HD21 LEU 309 -8.486 20.251 15.047 176 2HD2 LEU 309 HD22 LEU 309 -6.727 20.092 15.243 177 3HD2 LEU 309 HD23 LEU 309 -7.647 21.193 16.292 178 H LYS 310 H LYS 310 -3.179 24.559 13.541 179 HA LYS 310 HA LYS 310 -3.491 26.828 15.482 180 1HB LYS 310 HB2 LYS 310 -2.210 24.950 16.311 181 2HB LYS 310 HB3 LYS 310 -1.162 24.970 14.883 182 1HG LYS 310 HG2 LYS 310 -0.174 27.067 15.534 183 2HG LYS 310 HG3 LYS 310 -1.371 27.308 16.811 184 1HD LYS 310 HD2 LYS 310 0.824 26.644 17.677 185 2HD LYS 310 HD3 LYS 310 -0.436 25.516 18.144 186 1HE LYS 310 HE2 LYS 310 1.197 24.911 15.665 187 2HE LYS 310 HE3 LYS 310 1.982 24.758 17.235 188 1HZ LYS 310 HZ1 LYS 310 0.239 23.219 17.923 189 2HZ LYS 310 HZ2 LYS 310 -0.487 23.296 16.453 190 3HZ LYS 310 HZ3 LYS 310 0.989 22.640 16.595 191 H GLY 311 H GLY 311 -2.115 25.945 12.352 192 1HA GLY 311 HA2 GLY 311 -0.973 28.630 11.898 193 2HA GLY 311 HA3 GLY 311 -0.741 27.174 10.936 194 H GLN 312 H GLN 312 -3.967 27.121 11.130 195 HA GLN 312 HA GLN 312 -4.427 29.030 8.869 196 1HB GLN 312 HB2 GLN 312 -5.993 26.514 9.539 197 2HB GLN 312 HB3 GLN 312 -6.232 27.602 8.172 198 1HG GLN 312 HG2 GLN 312 -3.841 27.044 7.438 199 2HG GLN 312 HG3 GLN 312 -3.847 25.780 8.664 200 1HE2 GLN 312 HE22 GLN 312 -3.674 24.020 7.061 201 2HE2 GLN 312 HE21 GLN 312 -5.057 23.680 6.025 202 H GLN 313 H GLN 313 -4.654 29.357 11.970 203 HA GLN 313 HA GLN 313 -7.387 30.052 12.557 204 1HB GLN 313 HB2 GLN 313 -4.753 31.057 13.725 205 2HB GLN 313 HB3 GLN 313 -6.355 31.402 14.387 206 1HG GLN 313 HG2 GLN 313 -6.742 28.955 14.710 207 2HG GLN 313 HG3 GLN 313 -5.105 28.630 14.136 208 1HE2 GLN 313 HE22 GLN 313 -3.263 29.359 15.486 209 2HE2 GLN 313 HE21 GLN 313 -3.552 29.712 17.190 210 H ALA 314 H ALA 314 -8.401 32.074 12.581 211 HA ALA 314 HA ALA 314 -7.265 34.225 10.840 212 1HB ALA 314 HB1 ALA 314 -9.356 34.189 9.551 213 2HB ALA 314 HB2 ALA 314 -8.589 32.592 9.514 214 3HB ALA 314 HB3 ALA 314 -9.990 32.881 10.572 215 H LEU 315 H LEU 315 -8.245 33.823 13.868 216 HA LEU 315 HA LEU 315 -9.369 36.524 14.179 217 1HB LEU 315 HB2 LEU 315 -11.336 35.029 13.805 218 2HB LEU 315 HB3 LEU 315 -10.800 34.001 15.133 219 HG LEU 315 HG LEU 315 -11.157 35.880 16.730 220 1HD1 LEU 315 HD11 LEU 315 -10.861 37.816 15.242 221 2HD1 LEU 315 HD12 LEU 315 -12.271 37.320 14.279 222 3HD1 LEU 315 HD13 LEU 315 -12.472 37.853 15.964 223 1HD2 LEU 315 HD21 LEU 315 -12.929 34.224 16.286 224 2HD2 LEU 315 HD22 LEU 315 -13.616 35.819 16.627 225 3HD2 LEU 315 HD23 LEU 315 -13.546 35.226 14.953 226 1H GLY 586 H1 GLY 586 -10.634 8.046 31.554 227 2H GLY 586 H2 GLY 586 -9.635 6.983 30.775 228 3H GLY 586 H3 GLY 586 -11.210 6.614 30.995 229 1HA GLY 586 HA2 GLY 586 -10.961 6.381 33.327 230 2HA GLY 586 HA3 GLY 586 -9.731 5.403 32.510 231 H VAL 587 H VAL 587 -7.500 6.160 32.522 232 HA VAL 587 HA VAL 587 -6.914 7.571 35.049 233 HB VAL 587 HB VAL 587 -5.019 6.220 33.080 234 1HG1 VAL 587 HG11 VAL 587 -3.855 7.790 34.588 235 2HG1 VAL 587 HG12 VAL 587 -4.656 7.053 35.994 236 3HG1 VAL 587 HG13 VAL 587 -3.491 6.125 35.029 237 1HG2 VAL 587 HG21 VAL 587 -6.599 4.555 33.962 238 2HG2 VAL 587 HG22 VAL 587 -5.019 4.340 34.709 239 3HG2 VAL 587 HG23 VAL 587 -6.321 5.137 35.619 240 H ARG 588 H ARG 588 -6.337 9.678 35.175 241 HA ARG 588 HA ARG 588 -5.682 11.274 32.772 242 1HB ARG 588 HB2 ARG 588 -5.882 12.024 35.726 243 2HB ARG 588 HB3 ARG 588 -5.543 13.153 34.403 244 1HG ARG 588 HG2 ARG 588 -7.718 12.542 33.334 245 2HG ARG 588 HG3 ARG 588 -8.082 11.487 34.712 246 1HD ARG 588 HD2 ARG 588 -7.944 13.441 36.237 247 2HD ARG 588 HD3 ARG 588 -7.616 14.491 34.841 248 HE ARG 588 HE ARG 588 -10.028 12.986 34.411 249 1HH1 ARG 588 HH11 ARG 588 -8.934 15.738 36.284 250 2HH1 ARG 588 HH12 ARG 588 -10.528 16.442 36.347 251 1HH2 ARG 588 HH21 ARG 588 -12.030 13.935 34.532 252 2HH2 ARG 588 HH22 ARG 588 -12.231 15.440 35.382 253 H LYS 589 H LYS 589 -3.751 11.957 32.204 254 HA LYS 589 HA LYS 589 -1.314 11.041 33.718 255 1HB LYS 589 HB2 LYS 589 -1.802 10.935 30.724 256 2HB LYS 589 HB3 LYS 589 -0.393 10.295 31.581 257 1HG LYS 589 HG2 LYS 589 -1.817 8.613 32.705 258 2HG LYS 589 HG3 LYS 589 -3.243 9.279 31.894 259 1HD LYS 589 HD2 LYS 589 -2.093 8.793 29.669 260 2HD LYS 589 HD3 LYS 589 -0.890 7.881 30.598 261 1HE LYS 589 HE2 LYS 589 -2.502 6.301 29.826 262 2HE LYS 589 HE3 LYS 589 -2.804 6.511 31.554 263 1HZ LYS 589 HZ1 LYS 589 -4.622 8.054 30.950 264 2HZ LYS 589 HZ2 LYS 589 -4.329 7.804 29.354 265 3HZ LYS 589 HZ3 LYS 589 -4.878 6.580 30.325 266 H GLY 590 H GLY 590 -2.600 13.821 33.265 267 1HA GLY 590 HA2 GLY 590 -1.719 15.956 33.354 268 2HA GLY 590 HA3 GLY 590 -0.111 15.298 33.072 269 H TRP 591 H TRP 591 -0.348 14.147 30.593 270 HA TRP 591 HA TRP 591 -0.114 16.364 28.830 271 1HB TRP 591 HB2 TRP 591 0.358 14.771 27.128 272 2HB TRP 591 HB3 TRP 591 1.097 14.231 28.622 273 HD1 TRP 591 HD1 TRP 591 0.529 11.869 29.461 274 HE1 TRP 591 HE1 TRP 591 -0.692 9.852 28.415 275 HE3 TRP 591 HE3 TRP 591 -1.957 14.256 25.647 276 HZ2 TRP 591 HZ2 TRP 591 -2.468 9.344 26.250 277 HZ3 TRP 591 HZ3 TRP 591 -3.328 12.943 24.055 278 HH2 TRP 591 HH2 TRP 591 -3.553 10.491 24.313 279 H HIS 592 H HIS 592 -2.987 14.760 29.724 280 HA HIS 592 HA HIS 592 -4.451 14.582 27.349 281 1HB HIS 592 HB2 HIS 592 -5.334 15.068 30.219 282 2HB HIS 592 HB3 HIS 592 -6.442 14.719 28.902 283 HD1 HIS 592 HD1 HIS 592 -7.229 12.491 30.088 284 HD2 HIS 592 HD2 HIS 592 -3.155 12.625 29.018 285 HE1 HIS 592 HE1 HIS 592 -6.365 10.102 30.242 286 H GLU 593 H GLU 593 -3.844 17.527 29.244 287 HA GLU 593 HA GLU 593 -5.885 19.175 28.149 288 1HB GLU 593 HB2 GLU 593 -4.610 21.006 29.004 289 2HB GLU 593 HB3 GLU 593 -4.579 19.694 30.173 290 1HG GLU 593 HG2 GLU 593 -2.279 19.107 29.496 291 2HG GLU 593 HG3 GLU 593 -2.319 20.314 28.215 292 H HIS 594 H HIS 594 -2.969 18.015 26.607 293 HA HIS 594 HA HIS 594 -2.828 20.173 24.639 294 1HB HIS 594 HB2 HIS 594 -1.452 17.472 24.636 295 2HB HIS 594 HB3 HIS 594 -1.009 18.897 23.689 296 HD1 HIS 594 HD1 HIS 594 -0.603 21.162 25.697 297 HD2 HIS 594 HD2 HIS 594 0.231 17.127 26.510 298 HE1 HIS 594 HE1 HIS 594 1.041 21.160 27.645 299 H VAL 595 H VAL 595 -5.077 17.827 24.954 300 HA VAL 595 HA VAL 595 -5.620 17.678 22.009 301 HB VAL 595 HB VAL 595 -6.426 15.671 24.153 302 1HG1 VAL 595 HG11 VAL 595 -7.171 14.271 22.241 303 2HG1 VAL 595 HG12 VAL 595 -8.130 15.741 22.383 304 3HG1 VAL 595 HG13 VAL 595 -6.868 15.621 21.132 305 1HG2 VAL 595 HG21 VAL 595 -4.375 15.515 21.900 306 2HG2 VAL 595 HG22 VAL 595 -4.060 15.424 23.651 307 3HG2 VAL 595 HG23 VAL 595 -4.937 14.122 22.842 308 H THR 596 H THR 596 -7.662 18.153 21.297 309 HA THR 596 HA THR 596 -9.652 19.319 23.203 310 HB THR 596 HB THR 596 -10.062 21.122 21.630 311 HG1 THR 596 HG1 THR 596 -8.609 21.368 19.852 312 1HG2 THR 596 HG21 THR 596 -7.050 21.000 22.068 313 2HG2 THR 596 HG22 THR 596 -8.056 22.445 21.833 314 3HG2 THR 596 HG23 THR 596 -8.232 21.479 23.309 315 H GLN 597 H GLN 597 -11.863 19.502 22.201 316 HA GLN 597 HA GLN 597 -12.691 17.099 20.910 317 1HB GLN 597 HB2 GLN 597 -14.102 18.645 22.320 318 2HB GLN 597 HB3 GLN 597 -14.158 19.764 20.945 319 1HG GLN 597 HG2 GLN 597 -15.208 17.966 19.560 320 2HG GLN 597 HG3 GLN 597 -15.180 16.881 20.950 321 1HE2 GLN 597 HE21 GLN 597 -17.468 18.078 19.296 322 2HE2 GLN 597 HE22 GLN 597 -18.509 18.801 20.516 323 H ASP 598 H ASP 598 -11.822 20.285 19.541 324 HA ASP 598 HA ASP 598 -12.619 19.764 16.831 325 1HB ASP 598 HB2 ASP 598 -10.450 21.576 17.974 326 2HB ASP 598 HB3 ASP 598 -10.973 21.576 16.293 327 H LEU 599 H LEU 599 -9.481 19.244 18.539 328 HA LEU 599 HA LEU 599 -8.150 18.096 16.281 329 1HB LEU 599 HB2 LEU 599 -7.010 18.976 18.322 330 2HB LEU 599 HB3 LEU 599 -7.668 17.628 19.256 331 HG LEU 599 HG LEU 599 -6.388 16.018 17.913 332 1HD1 LEU 599 HD11 LEU 599 -6.281 17.162 15.755 333 2HD1 LEU 599 HD12 LEU 599 -5.290 18.466 16.459 334 3HD1 LEU 599 HD13 LEU 599 -4.662 16.809 16.324 335 1HD2 LEU 599 HD21 LEU 599 -5.311 16.994 19.899 336 2HD2 LEU 599 HD22 LEU 599 -4.122 16.638 18.642 337 3HD2 LEU 599 HD23 LEU 599 -4.649 18.315 18.910 338 H ARG 600 H ARG 600 -9.904 16.559 19.019 339 HA ARG 600 HA ARG 600 -9.651 13.873 18.247 340 1HB ARG 600 HB2 ARG 600 -10.981 15.258 20.287 341 2HB ARG 600 HB3 ARG 600 -12.325 14.623 19.357 342 1HG ARG 600 HG2 ARG 600 -11.837 12.975 20.984 343 2HG ARG 600 HG3 ARG 600 -11.137 12.340 19.485 344 1HD ARG 600 HD2 ARG 600 -8.910 13.381 20.230 345 2HD ARG 600 HD3 ARG 600 -9.683 13.764 21.765 346 HE ARG 600 HE ARG 600 -9.178 11.020 20.653 347 1HH1 ARG 600 HH21 ARG 600 -9.679 12.934 23.559 348 2HH1 ARG 600 HH22 ARG 600 -9.611 11.518 24.571 349 1HH2 ARG 600 HH12 ARG 600 -9.403 9.335 21.905 350 2HH2 ARG 600 HH11 ARG 600 -9.377 9.504 23.663 351 H SER 601 H SER 601 -12.222 16.123 17.267 352 HA SER 601 HA SER 601 -13.784 14.382 15.689 353 1HB SER 601 HB2 SER 601 -13.184 17.333 15.208 354 2HB SER 601 HB3 SER 601 -14.522 16.418 14.489 355 HG SER 601 HG SER 601 -14.104 17.035 17.237 356 H HIS 602 H HIS 602 -11.075 16.488 14.593 357 HA HIS 602 HA HIS 602 -11.200 15.517 11.880 358 1HB HIS 602 HB2 HIS 602 -10.448 17.767 12.586 359 2HB HIS 602 HB3 HIS 602 -9.023 17.063 13.326 360 HD1 HIS 602 HD1 HIS 602 -10.184 18.507 10.121 361 HD2 HIS 602 HD2 HIS 602 -7.417 15.589 11.348 362 HE1 HIS 602 HE1 HIS 602 -8.597 18.158 8.158 363 H LEU 603 H LEU 603 -9.035 14.648 14.665 364 HA LEU 603 HA LEU 603 -7.380 12.866 13.132 365 1HB LEU 603 HB2 LEU 603 -8.060 12.881 16.103 366 2HB LEU 603 HB3 LEU 603 -6.920 11.768 15.356 367 HG LEU 603 HG LEU 603 -6.613 14.768 15.648 368 1HD1 LEU 603 HD11 LEU 603 -4.607 14.116 16.908 369 2HD1 LEU 603 HD12 LEU 603 -6.046 13.349 17.594 370 3HD1 LEU 603 HD13 LEU 603 -4.934 12.399 16.584 371 1HD2 LEU 603 HD21 LEU 603 -4.441 14.573 14.554 372 2HD2 LEU 603 HD22 LEU 603 -4.798 12.884 14.106 373 3HD2 LEU 603 HD23 LEU 603 -5.751 14.231 13.435 374 H VAL 604 H VAL 604 -10.338 12.105 15.089 375 HA VAL 604 HA VAL 604 -10.371 9.326 14.402 376 HB VAL 604 HB VAL 604 -12.655 11.207 15.093 377 1HG1 VAL 604 HG11 VAL 604 -13.576 9.224 13.886 378 2HG1 VAL 604 HG12 VAL 604 -12.705 8.147 15.003 379 3HG1 VAL 604 HG13 VAL 604 -13.992 9.219 15.591 380 1HG2 VAL 604 HG21 VAL 604 -11.300 9.035 16.758 381 2HG2 VAL 604 HG22 VAL 604 -10.913 10.759 16.894 382 3HG2 VAL 604 HG23 VAL 604 -12.535 10.186 17.301 383 H HIS 605 H HIS 605 -11.887 12.139 12.694 384 HA HIS 605 HA HIS 605 -13.066 10.578 10.643 385 1HB HIS 605 HB2 HIS 605 -13.577 12.970 11.152 386 2HB HIS 605 HB3 HIS 605 -12.039 13.433 10.418 387 HD1 HIS 605 HD1 HIS 605 -15.511 12.089 9.481 388 HD2 HIS 605 HD2 HIS 605 -11.900 13.316 7.700 389 HE1 HIS 605 HE1 HIS 605 -15.975 12.269 6.982 390 H LYS 606 H LYS 606 -9.877 12.215 10.606 391 HA LYS 606 HA LYS 606 -9.149 11.269 7.988 392 1HB LYS 606 HB2 LYS 606 -8.224 13.258 9.060 393 2HB LYS 606 HB3 LYS 606 -7.404 12.265 10.275 394 1HG LYS 606 HG2 LYS 606 -5.850 11.417 8.710 395 2HG LYS 606 HG3 LYS 606 -6.884 11.787 7.323 396 1HD LYS 606 HD2 LYS 606 -4.905 13.282 7.493 397 2HD LYS 606 HD3 LYS 606 -6.452 14.140 7.485 398 1HE LYS 606 HE2 LYS 606 -6.369 14.404 9.925 399 2HE LYS 606 HE3 LYS 606 -4.859 13.488 10.001 400 1HZ LYS 606 HZ1 LYS 606 -5.168 16.040 8.527 401 2HZ LYS 606 HZ2 LYS 606 -4.566 15.907 10.042 402 3HZ LYS 606 HZ3 LYS 606 -3.755 15.200 8.803 403 H LEU 607 H LEU 607 -8.579 9.878 11.191 404 HA LEU 607 HA LEU 607 -7.006 7.643 10.380 405 1HB LEU 607 HB2 LEU 607 -7.383 8.534 12.667 406 2HB LEU 607 HB3 LEU 607 -8.997 7.879 12.689 407 HG LEU 607 HG LEU 607 -6.857 5.893 12.116 408 1HD1 LEU 607 HD11 LEU 607 -5.575 7.339 13.632 409 2HD1 LEU 607 HD12 LEU 607 -6.890 7.277 14.821 410 3HD1 LEU 607 HD13 LEU 607 -5.980 5.804 14.417 411 1HD2 LEU 607 HD21 LEU 607 -9.218 5.364 12.696 412 2HD2 LEU 607 HD22 LEU 607 -8.000 4.592 13.737 413 3HD2 LEU 607 HD23 LEU 607 -8.921 6.001 14.327 414 H VAL 608 H VAL 608 -10.597 7.932 10.757 415 HA VAL 608 HA VAL 608 -11.294 5.404 9.651 416 HB VAL 608 HB VAL 608 -12.771 8.046 9.811 417 1HG1 VAL 608 HG11 VAL 608 -13.780 6.892 7.912 418 2HG1 VAL 608 HG12 VAL 608 -13.862 5.377 8.849 419 3HG1 VAL 608 HG13 VAL 608 -14.847 6.785 9.308 420 1HG2 VAL 608 HG21 VAL 608 -14.004 6.952 11.576 421 2HG2 VAL 608 HG22 VAL 608 -13.227 5.389 11.230 422 3HG2 VAL 608 HG23 VAL 608 -12.289 6.726 11.922 423 H GLN 609 H GLN 609 -10.789 8.521 7.891 424 HA GLN 609 HA GLN 609 -11.490 7.521 5.316 425 1HB GLN 609 HB2 GLN 609 -9.544 9.714 6.128 426 2HB GLN 609 HB3 GLN 609 -10.001 9.408 4.463 427 1HG GLN 609 HG2 GLN 609 -12.033 10.065 6.621 428 2HG GLN 609 HG3 GLN 609 -11.257 11.280 5.616 429 1HE2 GLN 609 HE22 GLN 609 -13.787 11.537 5.359 430 2HE2 GLN 609 HE21 GLN 609 -14.440 10.708 3.943 431 H ALA 610 H ALA 610 -8.276 7.489 6.947 432 HA ALA 610 HA ALA 610 -6.917 6.287 4.706 433 1HB ALA 610 HB1 ALA 610 -5.213 5.604 6.386 434 2HB ALA 610 HB2 ALA 610 -5.640 7.330 6.496 435 3HB ALA 610 HB3 ALA 610 -6.293 6.174 7.680 436 H ILE 611 H ILE 611 -8.600 4.885 7.535 437 HA ILE 611 HA ILE 611 -7.992 2.150 7.047 438 HB ILE 611 HB ILE 611 -10.254 3.517 8.532 439 1HG1 ILE 611 HG12 ILE 611 -7.835 1.985 9.579 440 2HG1 ILE 611 HG13 ILE 611 -7.775 3.690 9.258 441 1HG2 ILE 611 HG21 ILE 611 -11.046 1.254 7.893 442 2HG2 ILE 611 HG22 ILE 611 -9.577 0.540 8.578 443 3HG2 ILE 611 HG23 ILE 611 -10.747 1.378 9.618 444 1HD1 ILE 611 HD11 ILE 611 -8.151 3.440 11.583 445 2HD1 ILE 611 HD12 ILE 611 -9.641 4.076 10.876 446 3HD1 ILE 611 HD13 ILE 611 -9.537 2.356 11.335 447 H PHE 612 H PHE 612 -10.921 4.033 5.965 448 HA PHE 612 HA PHE 612 -10.909 2.289 3.577 449 1HB PHE 612 HB2 PHE 612 -12.507 1.203 4.997 450 2HB PHE 612 HB3 PHE 612 -13.287 2.734 5.362 451 HD1 PHE 612 HD1 PHE 612 -12.234 1.569 1.921 452 HD2 PHE 612 HD2 PHE 612 -15.476 2.228 4.679 453 HE1 PHE 612 HE1 PHE 612 -13.849 1.445 0.050 454 HE2 PHE 612 HE2 PHE 612 -17.099 2.077 2.811 455 HZ PHE 612 HZ PHE 612 -16.281 1.725 0.489 456 HA PRO 613 HA PRO 613 -11.005 6.578 2.094 457 1HB PRO 613 HB2 PRO 613 -11.117 5.065 -0.518 458 2HB PRO 613 HB3 PRO 613 -10.157 6.520 -0.099 459 1HG PRO 613 HG2 PRO 613 -8.977 4.093 -0.101 460 2HG PRO 613 HG3 PRO 613 -8.661 5.225 1.256 461 1HD PRO 613 HD2 PRO 613 -10.571 2.886 1.159 462 2HD PRO 613 HD3 PRO 613 -9.428 3.355 2.452 463 H THR 614 H THR 614 -13.531 4.320 1.748 464 HA THR 614 HA THR 614 -15.716 4.468 1.515 465 HB THR 614 HB THR 614 -15.163 6.985 2.399 466 HG1 THR 614 HG1 THR 614 -16.757 5.685 3.163 467 1HG2 THR 614 HG21 THR 614 -16.614 8.564 1.300 468 2HG2 THR 614 HG22 THR 614 -15.439 8.007 0.109 469 3HG2 THR 614 HG23 THR 614 -17.097 7.376 0.083 470 HA PRO 615 HA PRO 615 -16.289 4.089 -2.849 471 1HB PRO 615 HB2 PRO 615 -18.840 3.245 -3.035 472 2HB PRO 615 HB3 PRO 615 -17.632 2.319 -2.088 473 1HG PRO 615 HG2 PRO 615 -19.734 4.209 -1.043 474 2HG PRO 615 HG3 PRO 615 -19.265 2.597 -0.424 475 1HD PRO 615 HD2 PRO 615 -18.273 5.056 0.507 476 2HD PRO 615 HD3 PRO 615 -17.486 3.490 0.757 477 H ASP 616 H ASP 616 -18.628 6.149 -1.190 478 HA ASP 616 HA ASP 616 -18.727 8.238 -3.231 479 1HB ASP 616 HB2 ASP 616 -21.082 6.442 -2.534 480 2HB ASP 616 HB3 ASP 616 -21.343 8.067 -3.083 481 HA PRO 617 HA PRO 617 -19.107 10.448 0.522 482 1HB PRO 617 HB2 PRO 617 -20.438 12.771 -0.119 483 2HB PRO 617 HB3 PRO 617 -18.785 12.373 -0.672 484 1HG PRO 617 HG2 PRO 617 -21.386 12.063 -2.178 485 2HG PRO 617 HG3 PRO 617 -19.827 12.713 -2.773 486 1HD PRO 617 HD2 PRO 617 -20.678 10.143 -3.224 487 2HD PRO 617 HD3 PRO 617 -18.951 10.525 -3.071 488 H ALA 618 H ALA 618 -22.139 9.488 -0.917 489 HA ALA 618 HA ALA 618 -23.869 10.071 1.311 490 1HB ALA 618 HB1 ALA 618 -24.681 9.536 -0.959 491 2HB ALA 618 HB2 ALA 618 -24.013 7.891 -0.822 492 3HB ALA 618 HB3 ALA 618 -25.339 8.408 0.240 493 H ALA 619 H ALA 619 -21.492 7.467 0.742 494 HA ALA 619 HA ALA 619 -22.476 5.615 2.703 495 1HB ALA 619 HB1 ALA 619 -20.869 5.075 0.850 496 2HB ALA 619 HB2 ALA 619 -19.647 6.052 1.693 497 3HB ALA 619 HB3 ALA 619 -20.261 4.572 2.439 498 H LEU 620 H LEU 620 -20.269 8.416 2.945 499 HA LEU 620 HA LEU 620 -19.458 8.075 5.665 500 1HB LEU 620 HB2 LEU 620 -19.775 10.587 3.973 501 2HB LEU 620 HB3 LEU 620 -18.895 10.496 5.487 502 HG LEU 620 HG LEU 620 -18.146 8.948 2.976 503 1HD1 LEU 620 HD11 LEU 620 -16.900 11.448 4.187 504 2HD1 LEU 620 HD12 LEU 620 -16.310 10.554 2.763 505 3HD1 LEU 620 HD13 LEU 620 -17.871 11.381 2.700 506 1HD2 LEU 620 HD21 LEU 620 -16.659 9.353 5.614 507 2HD2 LEU 620 HD22 LEU 620 -17.329 7.823 5.003 508 3HD2 LEU 620 HD23 LEU 620 -15.984 8.587 4.159 509 H LYS 621 H LYS 621 -22.546 8.714 4.492 510 HA LYS 621 HA LYS 621 -23.513 9.838 7.096 511 1HB LYS 621 HB2 LYS 621 -24.753 10.151 4.330 512 2HB LYS 621 HB3 LYS 621 -25.323 10.883 5.834 513 1HG LYS 621 HG2 LYS 621 -23.213 12.192 5.995 514 2HG LYS 621 HG3 LYS 621 -22.673 11.502 4.452 515 1HD LYS 621 HD2 LYS 621 -24.730 12.420 3.356 516 2HD LYS 621 HD3 LYS 621 -25.142 13.245 4.864 517 1HE LYS 621 HE2 LYS 621 -22.555 13.635 3.280 518 2HE LYS 621 HE3 LYS 621 -23.976 14.674 3.145 519 1HZ LYS 621 HZ1 LYS 621 -22.372 15.625 4.676 520 2HZ LYS 621 HZ2 LYS 621 -23.721 15.232 5.505 521 3HZ LYS 621 HZ3 LYS 621 -22.383 14.299 5.625 522 H ASP 622 H ASP 622 -23.129 6.956 5.964 523 HA ASP 622 HA ASP 622 -25.918 5.935 6.345 524 1HB ASP 622 HB2 ASP 622 -24.884 5.684 4.083 525 2HB ASP 622 HB3 ASP 622 -23.593 4.722 4.803 526 H ARG 623 H ARG 623 -26.294 4.246 7.733 527 HA ARG 623 HA ARG 623 -24.634 4.001 10.007 528 1HB ARG 623 HB2 ARG 623 -26.251 2.554 10.906 529 2HB ARG 623 HB3 ARG 623 -27.097 3.724 9.926 530 1HG ARG 623 HG2 ARG 623 -28.220 1.815 9.337 531 2HG ARG 623 HG3 ARG 623 -27.031 1.887 8.044 532 1HD ARG 623 HD2 ARG 623 -27.231 -0.379 8.811 533 2HD ARG 623 HD3 ARG 623 -25.645 0.173 9.290 534 HE ARG 623 HE ARG 623 -28.016 -0.301 11.042 535 1HH1 ARG 623 HH12 ARG 623 -24.588 0.578 11.053 536 2HH1 ARG 623 HH11 ARG 623 -24.342 -0.141 12.609 537 1HH2 ARG 623 HH21 ARG 623 -27.639 -0.979 13.114 538 2HH2 ARG 623 HH22 ARG 623 -26.048 -0.825 13.801 539 H ARG 624 H ARG 624 -24.363 2.198 7.047 540 HA ARG 624 HA ARG 624 -22.924 -0.093 8.147 541 1HB ARG 624 HB2 ARG 624 -23.038 1.158 5.372 542 2HB ARG 624 HB3 ARG 624 -22.124 -0.305 5.743 543 1HG ARG 624 HG2 ARG 624 -24.061 -1.539 6.366 544 2HG ARG 624 HG3 ARG 624 -25.096 -0.111 6.394 545 1HD ARG 624 HD2 ARG 624 -23.740 -1.104 3.859 546 2HD ARG 624 HD3 ARG 624 -25.344 -1.646 4.394 547 HE ARG 624 HE ARG 624 -25.294 1.215 4.409 548 1HH1 ARG 624 HH11 ARG 624 -25.375 -1.389 2.049 549 2HH1 ARG 624 HH12 ARG 624 -26.259 -0.431 0.892 550 1HH2 ARG 624 HH21 ARG 624 -26.453 2.352 2.924 551 2HH2 ARG 624 HH22 ARG 624 -26.837 1.645 1.368 552 H MET 625 H MET 625 -21.876 3.092 6.939 553 HA MET 625 HA MET 625 -19.047 2.583 7.499 554 1HB MET 625 HB2 MET 625 -19.982 4.185 5.750 555 2HB MET 625 HB3 MET 625 -20.436 5.251 7.091 556 1HG MET 625 HG2 MET 625 -18.354 5.992 6.153 557 2HG MET 625 HG3 MET 625 -18.030 5.355 7.763 558 1HE MET 625 HE1 MET 625 -14.685 4.535 5.869 559 2HE MET 625 HE2 MET 625 -15.720 5.932 5.483 560 3HE MET 625 HE3 MET 625 -15.505 5.423 7.169 561 H GLU 626 H GLU 626 -21.785 4.112 9.260 562 HA GLU 626 HA GLU 626 -20.409 5.122 11.441 563 1HB GLU 626 HB2 GLU 626 -22.846 5.349 10.953 564 2HB GLU 626 HB3 GLU 626 -23.082 3.723 11.620 565 1HG GLU 626 HG2 GLU 626 -22.257 4.450 13.804 566 2HG GLU 626 HG3 GLU 626 -21.821 6.031 13.151 567 H ASN 627 H ASN 627 -21.083 1.687 10.833 568 HA ASN 627 HA ASN 627 -20.231 0.654 13.385 569 1HB ASN 627 HB2 ASN 627 -19.929 -0.569 10.606 570 2HB ASN 627 HB3 ASN 627 -19.712 -1.425 12.122 571 1HD2 ASN 627 HD22 ASN 627 -21.731 -1.589 9.791 572 2HD2 ASN 627 HD21 ASN 627 -23.251 -1.747 10.664 573 H LEU 628 H LEU 628 -18.369 1.512 10.452 574 HA LEU 628 HA LEU 628 -15.815 0.706 11.520 575 1HB LEU 628 HB2 LEU 628 -16.499 0.972 9.045 576 2HB LEU 628 HB3 LEU 628 -16.386 2.710 9.296 577 HG LEU 628 HG LEU 628 -13.947 2.303 10.054 578 1HD1 LEU 628 HD11 LEU 628 -14.139 -0.160 10.382 579 2HD1 LEU 628 HD12 LEU 628 -14.493 -0.358 8.656 580 3HD1 LEU 628 HD13 LEU 628 -12.907 0.236 9.180 581 1HD2 LEU 628 HD21 LEU 628 -13.144 2.197 7.738 582 2HD2 LEU 628 HD22 LEU 628 -14.743 1.631 7.193 583 3HD2 LEU 628 HD23 LEU 628 -14.544 3.258 7.881 584 H VAL 629 H VAL 629 -17.490 3.830 11.237 585 HA VAL 629 HA VAL 629 -15.592 5.511 12.536 586 HB VAL 629 HB VAL 629 -18.610 5.568 12.382 587 1HG1 VAL 629 HG11 VAL 629 -18.566 7.930 12.985 588 2HG1 VAL 629 HG12 VAL 629 -18.098 6.897 14.335 589 3HG1 VAL 629 HG13 VAL 629 -16.842 7.792 13.432 590 1HG2 VAL 629 HG21 VAL 629 -16.502 7.269 10.990 591 2HG2 VAL 629 HG22 VAL 629 -17.311 5.875 10.249 592 3HG2 VAL 629 HG23 VAL 629 -18.253 7.299 10.699 593 H ALA 630 H ALA 630 -18.155 3.491 14.038 594 HA ALA 630 HA ALA 630 -17.568 4.261 16.730 595 1HB ALA 630 HB1 ALA 630 -19.733 3.350 16.024 596 2HB ALA 630 HB2 ALA 630 -18.976 1.796 15.612 597 3HB ALA 630 HB3 ALA 630 -19.022 2.346 17.302 598 H TYR 631 H TYR 631 -16.517 1.331 14.846 599 HA TYR 631 HA TYR 631 -14.873 0.253 16.938 600 1HB TYR 631 HB2 TYR 631 -14.898 -1.381 15.428 601 2HB TYR 631 HB3 TYR 631 -15.410 -0.315 14.148 602 HD1 TYR 631 HD1 TYR 631 -13.869 0.661 12.583 603 HD2 TYR 631 HD2 TYR 631 -12.385 -1.894 15.732 604 HE1 TYR 631 HE1 TYR 631 -11.696 0.502 11.431 605 HE2 TYR 631 HE2 TYR 631 -10.303 -2.139 14.525 606 HH TYR 631 HH TYR 631 -9.655 -0.471 11.411 607 H ALA 632 H ALA 632 -14.087 2.617 14.334 608 HA ALA 632 HA ALA 632 -11.366 2.969 15.051 609 1HB ALA 632 HB1 ALA 632 -12.319 3.742 12.930 610 2HB ALA 632 HB2 ALA 632 -13.316 4.939 13.790 611 3HB ALA 632 HB3 ALA 632 -11.547 5.082 13.799 612 H LYS 633 H LYS 633 -14.286 4.829 16.197 613 HA LYS 633 HA LYS 633 -12.865 6.493 18.059 614 1HB LYS 633 HB2 LYS 633 -15.722 5.444 17.988 615 2HB LYS 633 HB3 LYS 633 -15.136 6.486 19.292 616 1HG LYS 633 HG2 LYS 633 -14.528 8.241 17.722 617 2HG LYS 633 HG3 LYS 633 -15.010 7.234 16.346 618 1HD LYS 633 HD2 LYS 633 -17.345 7.190 17.174 619 2HD LYS 633 HD3 LYS 633 -16.873 8.197 18.562 620 1HE LYS 633 HE2 LYS 633 -16.140 9.990 16.996 621 2HE LYS 633 HE3 LYS 633 -16.625 8.989 15.621 622 1HZ LYS 633 HZ1 LYS 633 -18.362 10.584 16.203 623 2HZ LYS 633 HZ2 LYS 633 -18.921 9.074 16.467 624 3HZ LYS 633 HZ3 LYS 633 -18.463 10.011 17.725 625 H LYS 634 H LYS 634 -14.254 3.264 18.550 626 HA LYS 634 HA LYS 634 -13.661 2.998 21.329 627 1HB LYS 634 HB2 LYS 634 -15.197 1.551 20.016 628 2HB LYS 634 HB3 LYS 634 -13.808 0.796 19.222 629 1HG LYS 634 HG2 LYS 634 -12.980 0.013 21.439 630 2HG LYS 634 HG3 LYS 634 -14.378 0.758 22.223 631 1HD LYS 634 HD2 LYS 634 -14.493 -1.477 20.144 632 2HD LYS 634 HD3 LYS 634 -14.590 -1.699 21.897 633 1HE LYS 634 HE2 LYS 634 -16.634 -0.255 21.949 634 2HE LYS 634 HE3 LYS 634 -16.574 -0.134 20.186 635 1HZ LYS 634 HZ1 LYS 634 -16.897 -2.664 21.714 636 2HZ LYS 634 HZ2 LYS 634 -18.082 -1.898 20.897 637 3HZ LYS 634 HZ3 LYS 634 -16.833 -2.562 20.084 638 H VAL 635 H VAL 635 -11.675 1.928 18.524 639 HA VAL 635 HA VAL 635 -9.475 1.101 20.243 640 HB VAL 635 HB VAL 635 -9.511 1.558 17.239 641 1HG1 VAL 635 HG11 VAL 635 -7.198 1.584 18.038 642 2HG1 VAL 635 HG12 VAL 635 -7.501 0.180 19.082 643 3HG1 VAL 635 HG13 VAL 635 -7.510 -0.007 17.324 644 1HG2 VAL 635 HG21 VAL 635 -9.753 -1.005 18.892 645 2HG2 VAL 635 HG22 VAL 635 -11.073 -0.250 17.983 646 3HG2 VAL 635 HG23 VAL 635 -9.686 -0.909 17.119 647 H GLU 636 H GLU 636 -10.092 4.123 18.369 648 HA GLU 636 HA GLU 636 -7.632 5.428 18.869 649 1HB GLU 636 HB2 GLU 636 -9.434 6.143 17.339 650 2HB GLU 636 HB3 GLU 636 -10.443 6.613 18.695 651 1HG GLU 636 HG2 GLU 636 -7.703 7.799 18.099 652 2HG GLU 636 HG3 GLU 636 -9.167 8.394 17.363 653 H GLY 637 H GLY 637 -10.559 5.261 20.934 654 1HA GLY 637 HA2 GLY 637 -9.568 6.728 23.161 655 2HA GLY 637 HA3 GLY 637 -10.845 5.505 23.188 656 H ASP 638 H ASP 638 -9.010 3.319 22.233 657 HA ASP 638 HA ASP 638 -7.931 2.556 24.850 658 1HB ASP 638 HB2 ASP 638 -9.075 0.977 23.248 659 2HB ASP 638 HB3 ASP 638 -7.688 1.132 22.171 660 H MET 639 H MET 639 -6.625 3.602 21.702 661 HA MET 639 HA MET 639 -3.818 3.312 22.348 662 1HB MET 639 HB2 MET 639 -5.238 5.172 20.395 663 2HB MET 639 HB3 MET 639 -3.499 4.883 20.434 664 1HG MET 639 HG2 MET 639 -5.592 2.731 19.934 665 2HG MET 639 HG3 MET 639 -4.746 3.593 18.670 666 1HE MET 639 HE1 MET 639 -4.191 1.172 17.668 667 2HE MET 639 HE2 MET 639 -3.349 -0.108 18.571 668 3HE MET 639 HE3 MET 639 -4.993 0.376 19.044 669 H TYR 640 H TYR 640 -6.128 6.015 22.641 670 HA TYR 640 HA TYR 640 -4.418 7.963 23.830 671 1HB TYR 640 HB2 TYR 640 -6.607 8.325 22.791 672 2HB TYR 640 HB3 TYR 640 -7.400 7.422 24.053 673 HD1 TYR 640 HD1 TYR 640 -5.743 10.604 23.174 674 HD2 TYR 640 HD2 TYR 640 -7.802 8.413 26.271 675 HE1 TYR 640 HE1 TYR 640 -6.105 12.721 24.438 676 HE2 TYR 640 HE2 TYR 640 -8.174 10.535 27.519 677 HH TYR 640 HH TYR 640 -7.909 12.809 27.524 678 H GLU 641 H GLU 641 -6.561 5.497 25.406 679 HA GLU 641 HA GLU 641 -5.781 6.164 28.073 680 1HB GLU 641 HB2 GLU 641 -7.815 4.864 27.370 681 2HB GLU 641 HB3 GLU 641 -6.770 3.491 27.008 682 1HG GLU 641 HG2 GLU 641 -7.826 3.193 29.168 683 2HG GLU 641 HG3 GLU 641 -6.097 3.388 29.404 684 H SER 642 H SER 642 -4.241 4.128 25.650 685 HA SER 642 HA SER 642 -2.453 2.745 27.485 686 1HB SER 642 HB2 SER 642 -3.181 1.848 25.285 687 2HB SER 642 HB3 SER 642 -2.243 3.115 24.471 688 HG SER 642 HG SER 642 -1.113 1.097 24.681 689 H ALA 643 H ALA 643 -2.081 5.611 25.375 690 HA ALA 643 HA ALA 643 0.704 5.735 25.440 691 1HB ALA 643 HB1 ALA 643 -1.341 7.921 24.954 692 2HB ALA 643 HB2 ALA 643 0.363 7.956 24.461 693 3HB ALA 643 HB3 ALA 643 -0.741 6.760 23.756 694 H ASN 644 H ASN 644 2.200 6.631 26.586 695 HA ASN 644 HA ASN 644 1.749 7.887 29.196 696 1HB ASN 644 HB2 ASN 644 4.273 7.340 27.559 697 2HB ASN 644 HB3 ASN 644 4.255 7.938 29.214 698 1HD2 ASN 644 HD21 ASN 644 3.655 5.127 27.174 699 2HD2 ASN 644 HD22 ASN 644 3.603 3.974 28.516 700 H SER 645 H SER 645 1.987 9.116 25.977 701 HA SER 645 HA SER 645 1.943 11.889 26.927 702 1HB SER 645 HB2 SER 645 3.787 12.668 25.622 703 2HB SER 645 HB3 SER 645 4.388 11.337 26.620 704 HG SER 645 HG SER 645 5.127 11.060 24.523 705 H ARG 646 H ARG 646 1.414 13.415 25.158 706 HA ARG 646 HA ARG 646 -0.650 12.527 23.405 707 1HB ARG 646 HB2 ARG 646 -0.188 14.916 24.242 708 2HB ARG 646 HB3 ARG 646 1.101 14.991 23.050 709 1HG ARG 646 HG2 ARG 646 -0.933 14.220 21.394 710 2HG ARG 646 HG3 ARG 646 -1.895 14.921 22.688 711 1HD ARG 646 HD2 ARG 646 -1.501 16.591 21.008 712 2HD ARG 646 HD3 ARG 646 -0.554 17.040 22.438 713 HE ARG 646 HE ARG 646 1.223 15.549 20.904 714 1HH1 ARG 646 HH12 ARG 646 -0.586 18.513 20.244 715 2HH1 ARG 646 HH11 ARG 646 0.654 18.989 19.068 716 1HH2 ARG 646 HH22 ARG 646 2.674 16.343 19.480 717 2HH2 ARG 646 HH21 ARG 646 2.288 17.865 18.627 718 H ASP 647 H ASP 647 2.820 13.028 22.775 719 HA ASP 647 HA ASP 647 2.604 12.564 19.928 720 1HB ASP 647 HB2 ASP 647 4.972 12.541 21.829 721 2HB ASP 647 HB3 ASP 647 5.082 12.449 20.072 722 H GLU 648 H GLU 648 3.232 10.409 22.732 723 HA GLU 648 HA GLU 648 3.724 8.065 21.095 724 1HB GLU 648 HB2 GLU 648 4.419 8.226 23.446 725 2HB GLU 648 HB3 GLU 648 2.727 8.265 23.965 726 1HG GLU 648 HG2 GLU 648 2.353 6.017 23.114 727 2HG GLU 648 HG3 GLU 648 3.931 5.998 22.319 728 H TYR 649 H TYR 649 0.734 9.501 22.506 729 HA TYR 649 HA TYR 649 -1.107 7.527 21.574 730 1HB TYR 649 HB2 TYR 649 -2.113 8.935 23.024 731 2HB TYR 649 HB3 TYR 649 -1.198 10.332 22.530 732 HD1 TYR 649 HD1 TYR 649 -2.179 12.018 21.248 733 HD2 TYR 649 HD2 TYR 649 -4.043 8.131 21.424 734 HE1 TYR 649 HE1 TYR 649 -4.196 12.940 20.140 735 HE2 TYR 649 HE2 TYR 649 -6.087 9.073 20.361 736 HH TYR 649 HH TYR 649 -7.121 10.947 19.545 737 H TYR 650 H TYR 650 -0.158 10.594 19.924 738 HA TYR 650 HA TYR 650 -1.251 10.086 17.391 739 1HB TYR 650 HB2 TYR 650 1.068 11.636 18.477 740 2HB TYR 650 HB3 TYR 650 1.219 11.217 16.792 741 HD1 TYR 650 HD1 TYR 650 -1.201 11.471 15.465 742 HD2 TYR 650 HD2 TYR 650 0.316 13.829 18.748 743 HE1 TYR 650 HE1 TYR 650 -2.475 13.434 14.644 744 HE2 TYR 650 HE2 TYR 650 -0.928 15.816 17.894 745 HH TYR 650 HH TYR 650 -2.255 16.631 16.262 746 H HIS 651 H HIS 651 2.011 8.993 18.492 747 HA HIS 651 HA HIS 651 2.691 7.667 16.072 748 1HB HIS 651 HB2 HIS 651 4.290 8.293 17.837 749 2HB HIS 651 HB3 HIS 651 3.589 7.090 18.919 750 HD1 HIS 651 HD1 HIS 651 5.517 7.186 15.538 751 HD2 HIS 651 HD2 HIS 651 4.595 4.675 18.790 752 HE1 HIS 651 HE1 HIS 651 6.889 5.066 15.212 753 H LEU 652 H LEU 652 0.980 6.386 18.958 754 HA LEU 652 HA LEU 652 0.690 3.695 17.981 755 1HB LEU 652 HB2 LEU 652 -0.789 5.382 20.031 756 2HB LEU 652 HB3 LEU 652 -1.228 3.719 19.701 757 HG LEU 652 HG LEU 652 1.568 4.519 20.603 758 1HD1 LEU 652 HD11 LEU 652 -0.099 5.108 22.314 759 2HD1 LEU 652 HD12 LEU 652 -0.783 3.471 22.238 760 3HD1 LEU 652 HD13 LEU 652 0.876 3.726 22.831 761 1HD2 LEU 652 HD21 LEU 652 1.732 2.131 21.230 762 2HD2 LEU 652 HD22 LEU 652 0.131 1.833 20.519 763 3HD2 LEU 652 HD23 LEU 652 1.494 2.327 19.492 764 H LEU 653 H LEU 653 -1.490 6.562 17.683 765 HA LEU 653 HA LEU 653 -3.538 5.247 16.157 766 1HB LEU 653 HB2 LEU 653 -2.542 8.133 15.995 767 2HB LEU 653 HB3 LEU 653 -3.967 7.507 15.205 768 HG LEU 653 HG LEU 653 -3.559 8.019 18.148 769 1HD1 LEU 653 HD11 LEU 653 -4.281 9.875 16.752 770 2HD1 LEU 653 HD12 LEU 653 -5.625 8.908 16.108 771 3HD1 LEU 653 HD13 LEU 653 -5.596 9.361 17.818 772 1HD2 LEU 653 HD21 LEU 653 -4.643 5.800 17.985 773 2HD2 LEU 653 HD22 LEU 653 -5.707 7.039 18.629 774 3HD2 LEU 653 HD23 LEU 653 -5.896 6.506 16.934 775 H ALA 654 H ALA 654 -0.575 6.948 15.042 776 HA ALA 654 HA ALA 654 -1.107 6.389 12.283 777 1HB ALA 654 HB1 ALA 654 1.506 7.145 13.707 778 2HB ALA 654 HB2 ALA 654 1.169 7.315 11.972 779 3HB ALA 654 HB3 ALA 654 0.280 8.301 13.143 780 H GLU 655 H GLU 655 0.742 4.535 14.731 781 HA GLU 655 HA GLU 655 1.797 2.574 12.928 782 1HB GLU 655 HB2 GLU 655 2.560 2.844 15.250 783 2HB GLU 655 HB3 GLU 655 0.989 2.286 15.851 784 1HG GLU 655 HG2 GLU 655 1.346 0.080 14.845 785 2HG GLU 655 HG3 GLU 655 2.812 0.645 14.040 786 H LYS 656 H LYS 656 -1.353 2.680 14.693 787 HA LYS 656 HA LYS 656 -2.489 0.292 13.558 788 1HB LYS 656 HB2 LYS 656 -3.595 1.184 15.393 789 2HB LYS 656 HB3 LYS 656 -3.551 2.837 14.808 790 1HG LYS 656 HG2 LYS 656 -5.320 2.459 13.224 791 2HG LYS 656 HG3 LYS 656 -5.281 0.713 13.499 792 1HD LYS 656 HD2 LYS 656 -5.942 1.120 15.892 793 2HD LYS 656 HD3 LYS 656 -6.008 2.849 15.551 794 1HE LYS 656 HE2 LYS 656 -8.260 2.098 15.461 795 2HE LYS 656 HE3 LYS 656 -7.764 2.406 13.798 796 1HZ LYS 656 HZ1 LYS 656 -7.439 -0.016 13.530 797 2HZ LYS 656 HZ2 LYS 656 -7.925 -0.304 15.057 798 3HZ LYS 656 HZ3 LYS 656 -8.958 0.300 13.958 799 H ILE 657 H ILE 657 -2.386 3.631 12.270 800 HA ILE 657 HA ILE 657 -3.869 2.966 9.885 801 HB ILE 657 HB ILE 657 -2.021 5.258 10.621 802 1HG1 ILE 657 HG12 ILE 657 -4.174 5.267 11.762 803 2HG1 ILE 657 HG13 ILE 657 -4.200 6.550 10.585 804 1HG2 ILE 657 HG21 ILE 657 -3.406 4.875 7.948 805 2HG2 ILE 657 HG22 ILE 657 -2.837 6.443 8.569 806 3HG2 ILE 657 HG23 ILE 657 -1.687 5.139 8.278 807 1HD1 ILE 657 HD11 ILE 657 -6.212 5.636 10.114 808 2HD1 ILE 657 HD12 ILE 657 -5.293 4.575 9.063 809 3HD1 ILE 657 HD13 ILE 657 -5.745 4.019 10.688 810 H TYR 658 H TYR 658 -0.315 3.040 10.417 811 HA TYR 658 HA TYR 658 0.381 2.139 7.798 812 1HB TYR 658 HB2 TYR 658 1.922 3.083 9.495 813 2HB TYR 658 HB3 TYR 658 1.749 1.634 10.469 814 HD1 TYR 658 HD1 TYR 658 2.663 -0.573 9.627 815 HD2 TYR 658 HD2 TYR 658 3.425 3.163 7.564 816 HE1 TYR 658 HE1 TYR 658 4.592 -1.597 8.446 817 HE2 TYR 658 HE2 TYR 658 5.336 2.165 6.473 818 HH TYR 658 HH TYR 658 6.309 -1.271 6.961 819 H LYS 659 H LYS 659 -0.228 0.243 10.759 820 HA LYS 659 HA LYS 659 -0.044 -2.403 9.890 821 1HB LYS 659 HB2 LYS 659 -0.345 -1.856 12.192 822 2HB LYS 659 HB3 LYS 659 -1.766 -0.911 11.861 823 1HG LYS 659 HG2 LYS 659 -2.505 -2.718 13.043 824 2HG LYS 659 HG3 LYS 659 -3.087 -2.987 11.415 825 1HD LYS 659 HD2 LYS 659 -0.499 -4.238 12.406 826 2HD LYS 659 HD3 LYS 659 -2.071 -4.921 12.839 827 1HE LYS 659 HE2 LYS 659 -2.665 -5.084 10.414 828 2HE LYS 659 HE3 LYS 659 -1.037 -4.544 9.992 829 1HZ LYS 659 HZ1 LYS 659 -1.619 -6.987 11.578 830 2HZ LYS 659 HZ2 LYS 659 -1.331 -6.985 9.976 831 3HZ LYS 659 HZ3 LYS 659 -0.146 -6.528 11.024 832 H ILE 660 H ILE 660 -3.046 -0.413 9.765 833 HA ILE 660 HA ILE 660 -4.516 -2.446 8.318 834 HB ILE 660 HB ILE 660 -5.018 0.483 8.930 835 1HG1 ILE 660 HG12 ILE 660 -6.344 -2.098 9.887 836 2HG1 ILE 660 HG13 ILE 660 -5.017 -1.324 10.737 837 1HG2 ILE 660 HG21 ILE 660 -6.905 -1.430 7.452 838 2HG2 ILE 660 HG22 ILE 660 -7.362 0.138 8.130 839 3HG2 ILE 660 HG23 ILE 660 -6.211 0.084 6.820 840 1HD1 ILE 660 HD11 ILE 660 -6.402 0.723 11.041 841 2HD1 ILE 660 HD12 ILE 660 -7.784 -0.170 10.345 842 3HD1 ILE 660 HD13 ILE 660 -7.022 -0.737 11.836 843 H GLN 661 H GLN 661 -3.036 0.657 7.192 844 HA GLN 661 HA GLN 661 -3.987 0.375 4.552 845 1HB GLN 661 HB2 GLN 661 -3.063 2.457 5.751 846 2HB GLN 661 HB3 GLN 661 -1.450 1.851 5.362 847 1HG GLN 661 HG2 GLN 661 -2.047 3.435 3.663 848 2HG GLN 661 HG3 GLN 661 -2.175 1.841 2.912 849 1HE2 GLN 661 HE22 GLN 661 -4.085 4.512 4.358 850 2HE2 GLN 661 HE21 GLN 661 -5.626 3.957 3.718 851 H LYS 662 H LYS 662 -0.757 -0.541 5.875 852 HA LYS 662 HA LYS 662 0.231 -1.444 3.303 853 1HB LYS 662 HB2 LYS 662 1.204 -1.946 6.153 854 2HB LYS 662 HB3 LYS 662 2.114 -2.422 4.737 855 1HG LYS 662 HG2 LYS 662 1.290 0.477 5.064 856 2HG LYS 662 HG3 LYS 662 2.628 -0.170 5.991 857 1HD LYS 662 HD2 LYS 662 3.459 0.926 3.987 858 2HD LYS 662 HD3 LYS 662 3.848 -0.799 3.979 859 1HE LYS 662 HE2 LYS 662 1.942 -1.226 2.447 860 2HE LYS 662 HE3 LYS 662 1.533 0.497 2.467 861 1HZ LYS 662 HZ1 LYS 662 4.019 -0.711 1.375 862 2HZ LYS 662 HZ2 LYS 662 2.779 -0.061 0.519 863 3HZ LYS 662 HZ3 LYS 662 3.736 0.905 1.446 864 H GLU 663 H GLU 663 -1.411 -3.099 5.931 865 HA GLU 663 HA GLU 663 -1.014 -5.757 4.831 866 1HB GLU 663 HB2 GLU 663 -1.596 -5.328 7.175 867 2HB GLU 663 HB3 GLU 663 -3.202 -4.748 6.693 868 1HG GLU 663 HG2 GLU 663 -3.846 -6.924 5.916 869 2HG GLU 663 HG3 GLU 663 -2.177 -7.511 5.939 870 H LEU 664 H LEU 664 -3.797 -3.416 4.540 871 HA LEU 664 HA LEU 664 -5.224 -5.111 2.708 872 1HB LEU 664 HB2 LEU 664 -5.427 -2.242 3.596 873 2HB LEU 664 HB3 LEU 664 -6.233 -2.717 2.107 874 HG LEU 664 HG LEU 664 -7.442 -4.523 3.254 875 1HD1 LEU 664 HD11 LEU 664 -7.618 -4.575 5.706 876 2HD1 LEU 664 HD12 LEU 664 -5.983 -5.012 5.190 877 3HD1 LEU 664 HD13 LEU 664 -6.311 -3.388 5.845 878 1HD2 LEU 664 HD21 LEU 664 -8.472 -2.329 3.005 879 2HD2 LEU 664 HD22 LEU 664 -8.948 -3.085 4.540 880 3HD2 LEU 664 HD23 LEU 664 -7.743 -1.781 4.537 881 H GLU 665 H GLU 665 -2.748 -2.602 2.073 882 HA GLU 665 HA GLU 665 -2.857 -2.759 -0.766 883 1HB GLU 665 HB2 GLU 665 -1.681 -1.084 0.747 884 2HB GLU 665 HB3 GLU 665 -0.356 -2.246 0.880 885 1HG GLU 665 HG2 GLU 665 0.036 -2.082 -1.533 886 2HG GLU 665 HG3 GLU 665 -1.442 -1.138 -1.752 887 H GLU 666 H GLU 666 -2.070 -5.290 1.334 888 HA GLU 666 HA GLU 666 -0.755 -6.852 -0.858 889 1HB GLU 666 HB2 GLU 666 0.513 -6.757 1.273 890 2HB GLU 666 HB3 GLU 666 -0.879 -7.437 2.122 891 1HG GLU 666 HG2 GLU 666 -0.724 -9.471 0.625 892 2HG GLU 666 HG3 GLU 666 0.758 -8.795 -0.055 893 H LYS 667 H LYS 667 -3.295 -7.080 1.669 894 HA LYS 667 HA LYS 667 -4.390 -9.533 0.646 895 1HB LYS 667 HB2 LYS 667 -5.835 -7.505 2.398 896 2HB LYS 667 HB3 LYS 667 -6.248 -9.198 2.170 897 1HG LYS 667 HG2 LYS 667 -3.976 -8.024 3.749 898 2HG LYS 667 HG3 LYS 667 -5.240 -9.118 4.266 899 1HD LYS 667 HD2 LYS 667 -4.159 -10.949 2.920 900 2HD LYS 667 HD3 LYS 667 -2.863 -9.811 2.480 901 1HE LYS 667 HE2 LYS 667 -2.486 -9.428 4.965 902 2HE LYS 667 HE3 LYS 667 -3.587 -10.778 5.274 903 1HZ LYS 667 HZ1 LYS 667 -2.045 -12.173 3.926 904 2HZ LYS 667 HZ2 LYS 667 -1.021 -10.896 3.762 905 3HZ LYS 667 HZ3 LYS 667 -1.297 -11.541 5.235 906 H ARG 668 H ARG 668 -4.870 -6.382 -0.599 907 HA ARG 668 HA ARG 668 -7.089 -7.364 -2.394 908 1HB ARG 668 HB2 ARG 668 -6.390 -4.504 -1.613 909 2HB ARG 668 HB3 ARG 668 -7.706 -4.985 -2.667 910 1HG ARG 668 HG2 ARG 668 -7.555 -5.657 0.307 911 2HG ARG 668 HG3 ARG 668 -8.404 -4.295 -0.402 912 1HD ARG 668 HD2 ARG 668 -10.062 -5.895 -0.019 913 2HD ARG 668 HD3 ARG 668 -9.784 -5.930 -1.765 914 HE ARG 668 HE ARG 668 -8.111 -7.877 -0.514 915 1HH1 ARG 668 HH21 ARG 668 -11.568 -7.575 -1.047 916 2HH1 ARG 668 HH22 ARG 668 -11.715 -9.284 -1.385 917 1HH2 ARG 668 HH12 ARG 668 -8.367 -9.935 -0.842 918 2HH2 ARG 668 HH11 ARG 668 -9.941 -10.623 -1.183 919 H ARG 669 H ARG 669 -3.871 -7.122 -2.472 920 HA ARG 669 HA ARG 669 -3.259 -5.580 -4.799 921 1HB ARG 669 HB2 ARG 669 -1.797 -6.578 -2.881 922 2HB ARG 669 HB3 ARG 669 -1.688 -8.016 -3.897 923 1HG ARG 669 HG2 ARG 669 -0.660 -6.615 -5.696 924 2HG ARG 669 HG3 ARG 669 -0.893 -5.172 -4.683 925 1HD ARG 669 HD2 ARG 669 0.514 -6.368 -2.891 926 2HD ARG 669 HD3 ARG 669 0.894 -7.574 -4.117 927 HE ARG 669 HE ARG 669 2.275 -6.041 -5.222 928 1HH1 ARG 669 HH12 ARG 669 0.552 -4.285 -2.677 929 2HH1 ARG 669 HH11 ARG 669 1.625 -2.921 -2.816 930 1HH2 ARG 669 HH21 ARG 669 3.556 -4.236 -5.325 931 2HH2 ARG 669 HH22 ARG 669 3.253 -2.882 -4.276 932 H SER 670 H SER 670 -4.861 -8.575 -4.583 933 HA SER 670 HA SER 670 -4.333 -9.773 -7.122 934 1HB SER 670 HB2 SER 670 -6.571 -10.844 -6.682 935 2HB SER 670 HB3 SER 670 -5.386 -11.025 -5.379 936 HG SER 670 HG SER 670 -7.490 -10.396 -4.625 937 H ARG 671 H ARG 671 -6.194 -6.902 -6.318 938 HA ARG 671 HA ARG 671 -7.864 -6.816 -8.673 939 1HB ARG 671 HB2 ARG 671 -8.233 -5.475 -6.593 940 2HB ARG 671 HB3 ARG 671 -6.817 -4.492 -6.997 941 1HG ARG 671 HG2 ARG 671 -7.935 -3.881 -9.182 942 2HG ARG 671 HG3 ARG 671 -9.340 -4.838 -8.680 943 1HD ARG 671 HD2 ARG 671 -9.577 -3.352 -6.684 944 2HD ARG 671 HD3 ARG 671 -8.248 -2.352 -7.305 945 HE ARG 671 HE ARG 671 -10.010 -2.496 -9.432 946 1HH1 ARG 671 HH11 ARG 671 -10.333 -1.247 -6.146 947 2HH1 ARG 671 HH12 ARG 671 -11.723 -0.288 -6.602 948 1HH2 ARG 671 HH21 ARG 671 -11.771 -1.140 -9.868 949 2HH2 ARG 671 HH22 ARG 671 -12.506 -0.280 -8.530 950 H LEU 672 H LEU 672 -6.976 -7.064 -10.601 951 HA LEU 672 HA LEU 672 -4.401 -6.207 -11.488 952 1HB LEU 672 HB2 LEU 672 -6.878 -6.838 -13.148 953 2HB LEU 672 HB3 LEU 672 -5.220 -6.793 -13.727 954 HG LEU 672 HG LEU 672 -6.397 -8.821 -11.780 955 1HD1 LEU 672 HD11 LEU 672 -5.989 -10.401 -13.609 956 2HD1 LEU 672 HD12 LEU 672 -7.055 -9.093 -14.144 957 3HD1 LEU 672 HD13 LEU 672 -5.344 -9.093 -14.625 958 1HD2 LEU 672 HD21 LEU 672 -4.055 -8.441 -11.172 959 2HD2 LEU 672 HD22 LEU 672 -4.214 -9.994 -11.994 960 3HD2 LEU 672 HD23 LEU 672 -3.557 -8.594 -12.874 961 1H SER 839 H1 SER 839 -0.966 -15.522 27.470 962 2H SER 839 H2 SER 839 -2.153 -15.180 28.548 963 3H SER 839 H3 SER 839 -2.538 -15.722 27.048 964 HA SER 839 HA SER 839 -2.926 -13.353 27.220 965 1HB SER 839 HB2 SER 839 -0.888 -11.881 27.402 966 2HB SER 839 HB3 SER 839 -1.324 -12.744 28.884 967 HG SER 839 HG SER 839 0.924 -12.863 28.444 968 H ASP 840 H ASP 840 -2.719 -12.004 25.368 969 HA ASP 840 HA ASP 840 -1.078 -12.912 23.086 970 1HB ASP 840 HB2 ASP 840 -3.095 -14.354 23.021 971 2HB ASP 840 HB3 ASP 840 -4.130 -12.927 23.079 972 H ALA 841 H ALA 841 -0.982 -11.363 21.377 973 HA ALA 841 HA ALA 841 -1.022 -8.640 22.240 974 1HB ALA 841 HB1 ALA 841 -0.618 -9.845 19.468 975 2HB ALA 841 HB2 ALA 841 -0.149 -8.210 19.982 976 3HB ALA 841 HB3 ALA 841 0.646 -9.620 20.703 977 H GLY 842 H GLY 842 -3.602 -10.473 20.760 978 1HA GLY 842 HA2 GLY 842 -5.771 -9.789 20.275 979 2HA GLY 842 HA3 GLY 842 -5.346 -8.122 20.649 980 H ASN 843 H ASN 843 -6.716 -7.684 18.763 981 HA ASN 843 HA ASN 843 -5.183 -7.643 16.212 982 1HB ASN 843 HB2 ASN 843 -6.619 -9.621 16.072 983 2HB ASN 843 HB3 ASN 843 -8.023 -8.678 16.580 984 1HD2 ASN 843 HD22 ASN 843 -8.951 -9.589 14.525 985 2HD2 ASN 843 HD21 ASN 843 -8.684 -8.583 13.095 986 H ILE 844 H ILE 844 -5.068 -5.655 15.500 987 HA ILE 844 HA ILE 844 -6.668 -3.468 16.564 988 HB ILE 844 HB ILE 844 -4.414 -3.656 14.533 989 1HG1 ILE 844 HG12 ILE 844 -4.660 -2.544 17.374 990 2HG1 ILE 844 HG13 ILE 844 -3.831 -4.026 16.903 991 1HG2 ILE 844 HG21 ILE 844 -5.780 -1.772 13.802 992 2HG2 ILE 844 HG22 ILE 844 -5.877 -1.165 15.475 993 3HG2 ILE 844 HG23 ILE 844 -4.335 -1.163 14.566 994 1HD1 ILE 844 HD11 ILE 844 -2.216 -2.619 15.554 995 2HD1 ILE 844 HD12 ILE 844 -2.970 -1.176 16.292 996 3HD1 ILE 844 HD13 ILE 844 -2.164 -2.373 17.311 997 H LEU 845 H LEU 845 -7.130 -5.554 13.844 998 HA LEU 845 HA LEU 845 -9.301 -3.779 12.791 999 1HB LEU 845 HB2 LEU 845 -7.319 -3.700 11.330 1000 2HB LEU 845 HB3 LEU 845 -7.313 -5.454 11.223 1001 HG LEU 845 HG LEU 845 -9.602 -5.305 10.106 1002 1HD1 LEU 845 HD11 LEU 845 -10.243 -3.021 10.775 1003 2HD1 LEU 845 HD12 LEU 845 -8.900 -2.367 9.820 1004 3HD1 LEU 845 HD13 LEU 845 -10.235 -3.218 9.009 1005 1HD2 LEU 845 HD21 LEU 845 -8.665 -4.649 7.922 1006 2HD2 LEU 845 HD22 LEU 845 -7.257 -3.935 8.732 1007 3HD2 LEU 845 HD23 LEU 845 -7.549 -5.685 8.824 1008 HA PRO 846 HA PRO 846 -11.090 -7.700 14.645 1009 1HB PRO 846 HB2 PRO 846 -13.314 -5.650 14.276 1010 2HB PRO 846 HB3 PRO 846 -13.167 -6.912 15.548 1011 1HG PRO 846 HG2 PRO 846 -12.421 -4.430 16.129 1012 2HG PRO 846 HG3 PRO 846 -11.272 -5.761 16.519 1013 1HD PRO 846 HD2 PRO 846 -11.332 -3.983 14.069 1014 2HD PRO 846 HD3 PRO 846 -9.940 -4.363 15.143 1015 H SER 847 H SER 847 -11.945 -9.399 13.537 1016 HA SER 847 HA SER 847 -11.836 -9.507 10.818 1017 1HB SER 847 HB2 SER 847 -13.541 -11.324 12.548 1018 2HB SER 847 HB3 SER 847 -12.831 -11.709 10.967 1019 HG SER 847 HG SER 847 -11.555 -12.500 12.718 1020 H ASP 848 H ASP 848 -14.873 -8.895 12.623 1021 HA ASP 848 HA ASP 848 -16.618 -9.115 10.340 1022 1HB ASP 848 HB2 ASP 848 -17.326 -9.265 12.719 1023 2HB ASP 848 HB3 ASP 848 -16.965 -7.552 12.929 1024 H ILE 849 H ILE 849 -14.800 -6.379 11.710 1025 HA ILE 849 HA ILE 849 -15.841 -4.415 9.786 1026 HB ILE 849 HB ILE 849 -13.863 -4.392 12.052 1027 1HG1 ILE 849 HG12 ILE 849 -15.010 -2.214 12.498 1028 2HG1 ILE 849 HG13 ILE 849 -16.000 -2.443 11.065 1029 1HG2 ILE 849 HG21 ILE 849 -12.987 -2.191 11.361 1030 2HG2 ILE 849 HG22 ILE 849 -12.428 -3.503 10.341 1031 3HG2 ILE 849 HG23 ILE 849 -13.709 -2.425 9.751 1032 1HD1 ILE 849 HD11 ILE 849 -17.180 -2.998 13.173 1033 2HD1 ILE 849 HD12 ILE 849 -17.076 -4.406 12.106 1034 3HD1 ILE 849 HD13 ILE 849 -15.986 -4.270 13.510 1035 H MET 850 H MET 850 -12.881 -6.426 10.108 1036 HA MET 850 HA MET 850 -11.495 -5.483 7.853 1037 1HB MET 850 HB2 MET 850 -10.638 -7.145 9.551 1038 2HB MET 850 HB3 MET 850 -11.631 -8.380 8.787 1039 1HG MET 850 HG2 MET 850 -10.413 -8.116 6.671 1040 2HG MET 850 HG3 MET 850 -9.500 -6.769 7.329 1041 1HE MET 850 HE1 MET 850 -10.393 -10.353 8.972 1042 2HE MET 850 HE2 MET 850 -10.079 -10.614 7.239 1043 3HE MET 850 HE3 MET 850 -8.944 -11.237 8.457 1044 H ASP 851 H ASP 851 -13.852 -8.190 7.981 1045 HA ASP 851 HA ASP 851 -13.927 -8.874 5.273 1046 1HB ASP 851 HB2 ASP 851 -14.870 -10.182 7.111 1047 2HB ASP 851 HB3 ASP 851 -16.064 -8.929 7.444 1048 H PHE 852 H PHE 852 -15.786 -6.264 6.885 1049 HA PHE 852 HA PHE 852 -17.323 -5.474 4.562 1050 1HB PHE 852 HB2 PHE 852 -18.023 -4.884 6.794 1051 2HB PHE 852 HB3 PHE 852 -16.510 -4.087 7.141 1052 HD1 PHE 852 HD1 PHE 852 -16.329 -1.756 6.926 1053 HD2 PHE 852 HD2 PHE 852 -19.484 -3.844 4.852 1054 HE1 PHE 852 HE1 PHE 852 -17.396 0.414 6.362 1055 HE2 PHE 852 HE2 PHE 852 -20.543 -1.671 4.283 1056 HZ PHE 852 HZ PHE 852 -19.511 0.463 5.056 1057 H VAL 853 H VAL 853 -14.246 -4.135 5.963 1058 HA VAL 853 HA VAL 853 -13.851 -2.249 3.839 1059 HB VAL 853 HB VAL 853 -11.673 -3.490 5.594 1060 1HG1 VAL 853 HG11 VAL 853 -11.794 -0.833 4.067 1061 2HG1 VAL 853 HG12 VAL 853 -10.462 -1.391 5.104 1062 3HG1 VAL 853 HG13 VAL 853 -10.829 -2.228 3.587 1063 1HG2 VAL 853 HG21 VAL 853 -13.397 -2.404 7.000 1064 2HG2 VAL 853 HG22 VAL 853 -11.889 -1.493 6.975 1065 3HG2 VAL 853 HG23 VAL 853 -13.282 -0.937 6.015 1066 H LEU 854 H LEU 854 -12.759 -5.672 4.109 1067 HA LEU 854 HA LEU 854 -11.203 -5.630 1.719 1068 1HB LEU 854 HB2 LEU 854 -12.652 -8.055 2.859 1069 2HB LEU 854 HB3 LEU 854 -11.366 -8.041 1.670 1070 HG LEU 854 HG LEU 854 -11.196 -7.801 4.621 1071 1HD1 LEU 854 HD11 LEU 854 -9.356 -9.332 4.318 1072 2HD1 LEU 854 HD12 LEU 854 -10.777 -9.907 3.432 1073 3HD1 LEU 854 HD13 LEU 854 -9.436 -9.137 2.553 1074 1HD2 LEU 854 HD21 LEU 854 -9.060 -6.659 2.790 1075 2HD2 LEU 854 HD22 LEU 854 -10.030 -5.740 3.973 1076 3HD2 LEU 854 HD23 LEU 854 -8.901 -6.966 4.546 1077 H LYS 855 H LYS 855 -14.698 -6.205 2.163 1078 HA LYS 855 HA LYS 855 -15.100 -6.945 -0.660 1079 1HB LYS 855 HB2 LYS 855 -16.868 -6.576 1.760 1080 2HB LYS 855 HB3 LYS 855 -17.602 -6.539 0.159 1081 1HG LYS 855 HG2 LYS 855 -16.612 -8.706 -0.428 1082 2HG LYS 855 HG3 LYS 855 -15.815 -8.808 1.142 1083 1HD LYS 855 HD2 LYS 855 -18.851 -8.651 0.772 1084 2HD LYS 855 HD3 LYS 855 -17.924 -10.162 0.905 1085 1HE LYS 855 HE2 LYS 855 -16.947 -9.305 3.049 1086 2HE LYS 855 HE3 LYS 855 -18.065 -7.943 2.996 1087 1HZ LYS 855 HZ1 LYS 855 -18.919 -10.788 3.027 1088 2HZ LYS 855 HZ2 LYS 855 -18.796 -9.855 4.354 1089 3HZ LYS 855 HZ3 LYS 855 -19.905 -9.481 3.185 1090 H ASN 856 H ASN 856 -15.399 -3.937 1.192 1091 HA ASN 856 HA ASN 856 -16.839 -2.535 -0.883 1092 1HB ASN 856 HB2 ASN 856 -15.087 -1.462 1.374 1093 2HB ASN 856 HB3 ASN 856 -16.195 -0.532 0.372 1094 1HD2 ASN 856 HD22 ASN 856 -16.339 -0.498 3.124 1095 2HD2 ASN 856 HD21 ASN 856 -17.816 -1.311 3.625 1096 H THR 857 H THR 857 -13.350 -2.770 -0.143 1097 HA THR 857 HA THR 857 -12.580 -0.622 -1.843 1098 HB THR 857 HB THR 857 -10.235 -1.541 -1.507 1099 HG1 THR 857 HG1 THR 857 -11.422 -3.086 0.517 1100 1HG2 THR 857 HG21 THR 857 -11.149 0.246 -0.125 1101 2HG2 THR 857 HG22 THR 857 -12.014 -0.915 0.896 1102 3HG2 THR 857 HG23 THR 857 -10.233 -0.879 0.894 1103 HA PRO 858 HA PRO 858 -11.416 -3.495 -5.407 1104 1HB PRO 858 HB2 PRO 858 -12.294 -6.037 -5.671 1105 2HB PRO 858 HB3 PRO 858 -10.908 -5.620 -4.623 1106 1HG PRO 858 HG2 PRO 858 -13.805 -5.988 -3.779 1107 2HG PRO 858 HG3 PRO 858 -12.344 -6.752 -3.079 1108 1HD PRO 858 HD2 PRO 858 -13.459 -4.507 -2.031 1109 2HD PRO 858 HD3 PRO 858 -11.692 -4.760 -2.023 1110 H SER 859 H SER 859 -13.084 -1.689 -5.563 1111 HA SER 859 HA SER 859 -15.821 -2.041 -6.042 1112 1HB SER 859 HB2 SER 859 -15.695 0.305 -6.859 1113 2HB SER 859 HB3 SER 859 -14.858 0.031 -5.331 1114 HG SER 859 HG SER 859 -13.668 1.309 -6.863 1115 H MET 860 H MET 860 -14.142 -3.757 -7.970 1116 HA MET 860 HA MET 860 -14.703 -2.842 -10.678 1117 1HB MET 860 HB2 MET 860 -14.070 -5.614 -9.569 1118 2HB MET 860 HB3 MET 860 -14.165 -5.194 -11.283 1119 1HG MET 860 HG2 MET 860 -12.338 -3.512 -10.938 1120 2HG MET 860 HG3 MET 860 -12.208 -4.049 -9.261 1121 1HE MET 860 HE1 MET 860 -12.589 -6.154 -12.715 1122 2HE MET 860 HE2 MET 860 -11.507 -4.767 -12.995 1123 3HE MET 860 HE3 MET 860 -10.858 -6.420 -13.005 1124 H GLN 861 H GLN 861 -16.282 -3.577 -12.107 1125 HA GLN 861 HA GLN 861 -18.715 -4.908 -10.970 1126 1HB GLN 861 HB2 GLN 861 -18.447 -2.369 -12.599 1127 2HB GLN 861 HB3 GLN 861 -19.968 -3.248 -12.514 1128 1HG GLN 861 HG2 GLN 861 -18.517 -2.329 -10.010 1129 2HG GLN 861 HG3 GLN 861 -19.666 -1.314 -10.878 1130 1HE2 GLN 861 HE22 GLN 861 -21.952 -1.892 -10.855 1131 2HE2 GLN 861 HE21 GLN 861 -22.541 -3.073 -9.692 1132 H ALA 862 H ALA 862 -16.364 -5.317 -13.313 1133 HA ALA 862 HA ALA 862 -17.928 -6.117 -15.598 1134 1HB ALA 862 HB1 ALA 862 -15.778 -7.060 -16.370 1135 2HB ALA 862 HB2 ALA 862 -15.562 -5.421 -15.730 1136 3HB ALA 862 HB3 ALA 862 -15.083 -6.830 -14.752 1137 H LEU 863 H LEU 863 -18.184 -8.264 -16.442 1138 HA LEU 863 HA LEU 863 -17.841 -10.591 -14.681 1139 1HB LEU 863 HB2 LEU 863 -19.997 -9.621 -13.930 1140 2HB LEU 863 HB3 LEU 863 -20.609 -9.681 -15.580 1141 HG LEU 863 HG LEU 863 -20.493 -12.168 -15.537 1142 1HD1 LEU 863 HD11 LEU 863 -19.655 -11.789 -12.626 1143 2HD1 LEU 863 HD12 LEU 863 -20.161 -13.328 -13.361 1144 3HD1 LEU 863 HD13 LEU 863 -18.681 -12.540 -13.913 1145 1HD2 LEU 863 HD21 LEU 863 -21.991 -10.960 -13.177 1146 2HD2 LEU 863 HD22 LEU 863 -22.554 -10.992 -14.864 1147 3HD2 LEU 863 HD23 LEU 863 -22.351 -12.508 -13.974 1148 H GLY 864 H GLY 864 -19.342 -9.506 -17.802 1149 1HA GLY 864 HA2 GLY 864 -17.802 -11.176 -19.441 1150 2HA GLY 864 HA3 GLY 864 -19.260 -12.087 -19.023 1151 H GLU 865 H GLU 865 -18.822 -8.586 -19.757 1152 HA GLU 865 HA GLU 865 -21.131 -8.523 -21.543 1153 1HB GLU 865 HB2 GLU 865 -18.960 -6.466 -20.949 1154 2HB GLU 865 HB3 GLU 865 -20.412 -6.152 -21.895 1155 1HG GLU 865 HG2 GLU 865 -20.346 -6.918 -18.946 1156 2HG GLU 865 HG3 GLU 865 -20.624 -5.312 -19.602 1157 H SER 866 H SER 866 -21.001 -7.567 -23.732 1158 HA SER 866 HA SER 866 -18.525 -8.056 -25.279 1159 1HB SER 866 HB2 SER 866 -19.875 -10.163 -25.331 1160 2HB SER 866 HB3 SER 866 -21.161 -9.270 -26.160 1161 HG SER 866 HG SER 866 -19.715 -10.319 -27.626 1162 HA PRO 867 HA PRO 867 -20.850 -4.138 -26.310 1163 1HB PRO 867 HB2 PRO 867 -18.855 -2.321 -25.927 1164 2HB PRO 867 HB3 PRO 867 -19.795 -3.014 -24.573 1165 1HG PRO 867 HG2 PRO 867 -17.085 -3.918 -25.605 1166 2HG PRO 867 HG3 PRO 867 -17.555 -3.550 -23.914 1167 1HD PRO 867 HD2 PRO 867 -17.546 -6.093 -24.895 1168 2HD PRO 867 HD3 PRO 867 -18.782 -5.549 -23.722 1169 H GLU 868 H GLU 868 -20.399 -2.498 -28.016 1170 HA GLU 868 HA GLU 868 -19.368 -3.696 -30.450 1171 1HB GLU 868 HB2 GLU 868 -20.369 -0.884 -29.837 1172 2HB GLU 868 HB3 GLU 868 -20.019 -1.507 -31.453 1173 1HG GLU 868 HG2 GLU 868 -21.722 -3.305 -31.115 1174 2HG GLU 868 HG3 GLU 868 -22.153 -2.581 -29.562 1175 H SER 869 H SER 869 -17.715 -2.078 -27.995 1176 HA SER 869 HA SER 869 -15.952 -0.280 -29.125 1177 1HB SER 869 HB2 SER 869 -15.330 -2.267 -26.913 1178 2HB SER 869 HB3 SER 869 -14.494 -0.732 -27.226 1179 HG SER 869 HG SER 869 -16.112 -0.456 -25.615 Start of MODEL 4 1 1H LYS 291 H1 LYS 291 11.108 0.465 3.481 2 2H LYS 291 H2 LYS 291 9.934 -0.628 3.162 3 3H LYS 291 H3 LYS 291 9.900 0.831 2.430 4 HA LYS 291 HA LYS 291 8.237 0.804 4.182 5 1HB LYS 291 HB2 LYS 291 10.556 -0.270 5.772 6 2HB LYS 291 HB3 LYS 291 9.499 0.866 6.576 7 1HG LYS 291 HG2 LYS 291 8.720 -1.293 7.092 8 2HG LYS 291 HG3 LYS 291 7.519 -0.508 6.071 9 1HD LYS 291 HD2 LYS 291 8.251 -1.832 4.129 10 2HD LYS 291 HD3 LYS 291 9.553 -2.570 5.077 11 1HE LYS 291 HE2 LYS 291 6.574 -2.815 5.715 12 2HE LYS 291 HE3 LYS 291 7.473 -3.981 4.743 13 1HZ LYS 291 HZ1 LYS 291 8.070 -3.341 7.583 14 2HZ LYS 291 HZ2 LYS 291 7.358 -4.702 7.042 15 3HZ LYS 291 HZ3 LYS 291 8.912 -4.399 6.664 16 H GLU 292 H GLU 292 11.494 2.089 4.749 17 HA GLU 292 HA GLU 292 11.285 4.157 6.292 18 1HB GLU 292 HB2 GLU 292 12.817 4.382 3.673 19 2HB GLU 292 HB3 GLU 292 13.157 5.186 5.200 20 1HG GLU 292 HG2 GLU 292 14.700 3.519 5.317 21 2HG GLU 292 HG3 GLU 292 13.377 2.716 6.145 22 H LYS 293 H LYS 293 10.665 4.852 2.787 23 HA LYS 293 HA LYS 293 9.833 7.569 3.281 24 1HB LYS 293 HB2 LYS 293 10.696 6.822 1.121 25 2HB LYS 293 HB3 LYS 293 9.311 5.746 0.888 26 1HG LYS 293 HG2 LYS 293 7.780 7.657 0.777 27 2HG LYS 293 HG3 LYS 293 9.089 8.776 1.211 28 1HD LYS 293 HD2 LYS 293 10.293 8.178 -0.864 29 2HD LYS 293 HD3 LYS 293 8.994 7.077 -1.331 30 1HE LYS 293 HE2 LYS 293 8.598 10.067 -0.831 31 2HE LYS 293 HE3 LYS 293 9.017 9.394 -2.408 32 1HZ LYS 293 HZ1 LYS 293 6.952 8.056 -2.286 33 2HZ LYS 293 HZ2 LYS 293 6.506 8.820 -0.903 34 3HZ LYS 293 HZ3 LYS 293 6.655 9.658 -2.281 35 H ARG 294 H ARG 294 7.795 4.716 2.483 36 HA ARG 294 HA ARG 294 5.325 6.099 2.817 37 1HB ARG 294 HB2 ARG 294 5.441 4.081 1.511 38 2HB ARG 294 HB3 ARG 294 5.995 3.139 2.893 39 1HG ARG 294 HG2 ARG 294 3.657 2.668 2.349 40 2HG ARG 294 HG3 ARG 294 3.841 3.295 3.969 41 1HD ARG 294 HD2 ARG 294 1.865 4.268 3.073 42 2HD ARG 294 HD3 ARG 294 3.058 5.546 3.180 43 HE ARG 294 HE ARG 294 2.978 5.838 0.907 44 1HH1 ARG 294 HH21 ARG 294 1.384 2.780 1.557 45 2HH1 ARG 294 HH22 ARG 294 0.794 2.616 -0.076 46 1HH2 ARG 294 HH11 ARG 294 2.253 5.583 -1.118 47 2HH2 ARG 294 HH12 ARG 294 1.292 4.187 -1.563 48 H ILE 295 H ILE 295 7.301 4.379 5.239 49 HA ILE 295 HA ILE 295 5.471 4.425 7.397 50 HB ILE 295 HB ILE 295 8.481 4.570 7.192 51 1HG1 ILE 295 HG12 ILE 295 7.208 2.427 6.876 52 2HG1 ILE 295 HG13 ILE 295 8.467 2.389 8.093 53 1HG2 ILE 295 HG21 ILE 295 8.224 5.930 9.148 54 2HG2 ILE 295 HG22 ILE 295 6.982 4.853 9.822 55 3HG2 ILE 295 HG23 ILE 295 8.671 4.315 9.683 56 1HD1 ILE 295 HD11 ILE 295 5.532 2.770 8.813 57 2HD1 ILE 295 HD12 ILE 295 6.353 1.193 8.734 58 3HD1 ILE 295 HD13 ILE 295 6.883 2.409 9.903 59 H LYS 296 H LYS 296 7.839 7.011 6.537 60 HA LYS 296 HA LYS 296 6.733 8.858 8.476 61 1HB LYS 296 HB2 LYS 296 9.082 8.816 7.586 62 2HB LYS 296 HB3 LYS 296 8.507 9.444 6.047 63 1HG LYS 296 HG2 LYS 296 7.904 10.923 8.638 64 2HG LYS 296 HG3 LYS 296 9.517 10.997 7.932 65 1HD LYS 296 HD2 LYS 296 8.585 11.915 5.817 66 2HD LYS 296 HD3 LYS 296 6.962 11.854 6.505 67 1HE LYS 296 HE2 LYS 296 7.712 14.100 6.719 68 2HE LYS 296 HE3 LYS 296 7.681 13.391 8.336 69 1HZ LYS 296 HZ1 LYS 296 10.109 13.098 8.157 70 2HZ LYS 296 HZ2 LYS 296 10.114 13.748 6.655 71 3HZ LYS 296 HZ3 LYS 296 9.716 14.665 7.943 72 H GLU 297 H GLU 297 6.272 8.476 4.976 73 HA GLU 297 HA GLU 297 4.560 10.627 4.373 74 1HB GLU 297 HB2 GLU 297 5.619 8.832 2.874 75 2HB GLU 297 HB3 GLU 297 4.311 7.771 3.382 76 1HG GLU 297 HG2 GLU 297 2.663 9.244 2.333 77 2HG GLU 297 HG3 GLU 297 3.956 10.384 1.917 78 H LEU 298 H LEU 298 3.591 7.379 5.618 79 HA LEU 298 HA LEU 298 0.807 8.150 5.804 80 1HB LEU 298 HB2 LEU 298 1.836 5.796 5.402 81 2HB LEU 298 HB3 LEU 298 2.151 5.751 7.133 82 HG LEU 298 HG LEU 298 -0.456 6.397 7.301 83 1HD1 LEU 298 HD11 LEU 298 -0.763 6.878 4.881 84 2HD1 LEU 298 HD12 LEU 298 -0.321 5.202 4.498 85 3HD1 LEU 298 HD13 LEU 298 -1.797 5.557 5.425 86 1HD2 LEU 298 HD21 LEU 298 0.307 4.327 8.097 87 2HD2 LEU 298 HD22 LEU 298 -1.081 3.984 7.053 88 3HD2 LEU 298 HD23 LEU 298 0.559 3.677 6.442 89 H GLU 299 H GLU 299 3.478 7.893 8.198 90 HA GLU 299 HA GLU 299 1.820 8.308 10.470 91 1HB GLU 299 HB2 GLU 299 4.167 7.409 10.453 92 2HB GLU 299 HB3 GLU 299 4.763 9.039 10.115 93 1HG GLU 299 HG2 GLU 299 3.853 9.854 12.248 94 2HG GLU 299 HG3 GLU 299 3.098 8.299 12.559 95 H LEU 300 H LEU 300 3.564 10.629 8.393 96 HA LEU 300 HA LEU 300 3.019 13.028 9.783 97 1HB LEU 300 HB2 LEU 300 4.699 12.745 8.005 98 2HB LEU 300 HB3 LEU 300 3.423 12.452 6.822 99 HG LEU 300 HG LEU 300 2.613 14.793 7.131 100 1HD1 LEU 300 HD11 LEU 300 5.099 15.082 8.885 101 2HD1 LEU 300 HD12 LEU 300 4.086 16.418 8.292 102 3HD1 LEU 300 HD13 LEU 300 3.412 15.247 9.425 103 1HD2 LEU 300 HD21 LEU 300 4.462 15.857 5.944 104 2HD2 LEU 300 HD22 LEU 300 5.565 14.556 6.446 105 3HD2 LEU 300 HD23 LEU 300 4.210 14.208 5.351 106 H LEU 301 H LEU 301 0.976 11.229 7.483 107 HA LEU 301 HA LEU 301 -0.909 13.277 6.929 108 1HB LEU 301 HB2 LEU 301 -1.014 10.254 6.886 109 2HB LEU 301 HB3 LEU 301 -2.461 11.180 6.576 110 HG LEU 301 HG LEU 301 0.127 11.548 4.990 111 1HD1 LEU 301 HD11 LEU 301 -0.807 9.273 4.688 112 2HD1 LEU 301 HD12 LEU 301 -2.386 9.970 4.269 113 3HD1 LEU 301 HD13 LEU 301 -0.972 10.245 3.221 114 1HD2 LEU 301 HD21 LEU 301 -1.354 13.510 4.835 115 2HD2 LEU 301 HD22 LEU 301 -1.392 12.608 3.320 116 3HD2 LEU 301 HD23 LEU 301 -2.741 12.461 4.467 117 H LEU 302 H LEU 302 -0.793 11.070 9.722 118 HA LEU 302 HA LEU 302 -3.220 12.298 10.907 119 1HB LEU 302 HB2 LEU 302 -1.104 10.473 12.114 120 2HB LEU 302 HB3 LEU 302 -2.496 11.115 12.981 121 HG LEU 302 HG LEU 302 -2.601 9.178 10.669 122 1HD1 LEU 302 HD11 LEU 302 -1.877 8.322 12.907 123 2HD1 LEU 302 HD12 LEU 302 -3.365 8.968 13.613 124 3HD1 LEU 302 HD13 LEU 302 -3.439 7.655 12.423 125 1HD2 LEU 302 HD21 LEU 302 -4.873 10.362 12.331 126 2HD2 LEU 302 HD22 LEU 302 -4.618 10.607 10.581 127 3HD2 LEU 302 HD23 LEU 302 -5.022 9.001 11.198 128 H MET 303 H MET 303 0.310 12.351 11.571 129 HA MET 303 HA MET 303 0.265 13.950 13.803 130 1HB MET 303 HB2 MET 303 2.179 12.631 12.806 131 2HB MET 303 HB3 MET 303 2.515 14.041 11.783 132 1HG MET 303 HG2 MET 303 2.696 15.419 13.897 133 2HG MET 303 HG3 MET 303 2.491 13.941 14.830 134 1HE MET 303 HE1 MET 303 5.827 11.999 13.997 135 2HE MET 303 HE2 MET 303 4.193 11.897 14.691 136 3HE MET 303 HE3 MET 303 4.420 11.902 12.923 137 H SER 304 H SER 304 0.094 15.109 10.477 138 HA SER 304 HA SER 304 0.714 17.846 10.815 139 1HB SER 304 HB2 SER 304 -1.295 16.553 8.928 140 2HB SER 304 HB3 SER 304 -0.676 18.209 8.796 141 HG SER 304 HG SER 304 0.782 15.773 8.588 142 H THR 305 H THR 305 -2.227 16.194 11.882 143 HA THR 305 HA THR 305 -4.068 18.312 11.631 144 HB THR 305 HB THR 305 -4.156 16.315 13.910 145 HG1 THR 305 HG1 THR 305 -3.866 15.050 12.203 146 1HG2 THR 305 HG21 THR 305 -5.943 18.001 13.932 147 2HG2 THR 305 HG22 THR 305 -6.295 17.678 12.229 148 3HG2 THR 305 HG23 THR 305 -6.589 16.424 13.467 149 H GLU 306 H GLU 306 -1.833 17.724 14.384 150 HA GLU 306 HA GLU 306 -2.992 19.802 15.994 151 1HB GLU 306 HB2 GLU 306 -0.937 19.724 17.332 152 2HB GLU 306 HB3 GLU 306 -1.707 18.156 17.126 153 1HG GLU 306 HG2 GLU 306 -0.024 17.332 15.761 154 2HG GLU 306 HG3 GLU 306 0.440 18.936 15.184 155 H ASN 307 H ASN 307 -0.805 19.983 13.288 156 HA ASN 307 HA ASN 307 -0.044 22.796 13.772 157 1HB ASN 307 HB2 ASN 307 1.532 21.215 12.686 158 2HB ASN 307 HB3 ASN 307 0.388 20.957 11.374 159 1HD2 ASN 307 HD22 ASN 307 2.863 23.068 12.609 160 2HD2 ASN 307 HD21 ASN 307 2.768 24.220 11.286 161 H GLU 308 H GLU 308 -2.201 20.941 11.563 162 HA GLU 308 HA GLU 308 -3.261 23.086 10.066 163 1HB GLU 308 HB2 GLU 308 -4.567 20.484 10.971 164 2HB GLU 308 HB3 GLU 308 -5.281 21.590 9.800 165 1HG GLU 308 HG2 GLU 308 -3.402 21.295 8.275 166 2HG GLU 308 HG3 GLU 308 -2.565 20.266 9.422 167 H LEU 309 H LEU 309 -4.335 21.894 13.243 168 HA LEU 309 HA LEU 309 -6.620 23.666 13.420 169 1HB LEU 309 HB2 LEU 309 -5.256 21.606 15.127 170 2HB LEU 309 HB3 LEU 309 -6.279 22.763 15.948 171 HG LEU 309 HG LEU 309 -8.228 22.155 14.750 172 1HD1 LEU 309 HD11 LEU 309 -8.328 20.322 13.105 173 2HD1 LEU 309 HD12 LEU 309 -7.431 21.706 12.478 174 3HD1 LEU 309 HD13 LEU 309 -6.551 20.270 13.046 175 1HD2 LEU 309 HD21 LEU 309 -6.652 19.661 15.478 176 2HD2 LEU 309 HD22 LEU 309 -7.531 20.702 16.624 177 3HD2 LEU 309 HD23 LEU 309 -8.425 19.791 15.394 178 H LYS 310 H LYS 310 -3.377 24.565 13.732 179 HA LYS 310 HA LYS 310 -3.491 26.295 16.026 180 1HB LYS 310 HB2 LYS 310 -1.766 26.371 13.519 181 2HB LYS 310 HB3 LYS 310 -1.594 27.523 14.848 182 1HG LYS 310 HG2 LYS 310 -1.206 25.702 16.451 183 2HG LYS 310 HG3 LYS 310 -1.356 24.505 15.154 184 1HD LYS 310 HD2 LYS 310 0.586 25.477 13.992 185 2HD LYS 310 HD3 LYS 310 0.757 26.712 15.245 186 1HE LYS 310 HE2 LYS 310 0.930 23.703 15.752 187 2HE LYS 310 HE3 LYS 310 2.330 24.733 15.431 188 1HZ LYS 310 HZ1 LYS 310 2.011 24.452 17.804 189 2HZ LYS 310 HZ2 LYS 310 1.772 26.018 17.424 190 3HZ LYS 310 HZ3 LYS 310 0.494 25.048 17.745 191 H GLY 311 H GLY 311 -4.720 26.833 12.771 192 1HA GLY 311 HA2 GLY 311 -6.753 28.458 13.433 193 2HA GLY 311 HA3 GLY 311 -5.455 29.646 13.341 194 H GLN 312 H GLN 312 -7.665 29.860 11.805 195 HA GLN 312 HA GLN 312 -6.482 29.947 9.112 196 1HB GLN 312 HB2 GLN 312 -8.375 28.869 8.001 197 2HB GLN 312 HB3 GLN 312 -7.534 27.765 9.080 198 1HG GLN 312 HG2 GLN 312 -9.322 28.050 10.789 199 2HG GLN 312 HG3 GLN 312 -10.167 29.176 9.721 200 1HE2 GLN 312 HE21 GLN 312 -11.380 28.309 7.930 201 2HE2 GLN 312 HE22 GLN 312 -11.570 26.574 7.719 202 H GLN 313 H GLN 313 -8.619 31.299 11.442 203 HA GLN 313 HA GLN 313 -8.906 33.691 9.767 204 1HB GLN 313 HB2 GLN 313 -11.019 32.269 9.439 205 2HB GLN 313 HB3 GLN 313 -11.366 32.551 11.145 206 1HG GLN 313 HG2 GLN 313 -10.956 35.124 10.419 207 2HG GLN 313 HG3 GLN 313 -11.324 34.500 8.822 208 1HE2 GLN 313 HE22 GLN 313 -12.698 36.015 11.418 209 2HE2 GLN 313 HE21 GLN 313 -14.355 35.439 11.229 210 H ALA 314 H ALA 314 -7.067 33.690 11.530 211 HA ALA 314 HA ALA 314 -7.699 34.141 14.271 212 1HB ALA 314 HB1 ALA 314 -5.325 35.075 12.599 213 2HB ALA 314 HB2 ALA 314 -5.391 35.019 14.373 214 3HB ALA 314 HB3 ALA 314 -5.472 33.512 13.440 215 H LEU 315 H LEU 315 -7.939 36.300 11.540 216 HA LEU 315 HA LEU 315 -8.072 38.828 12.940 217 1HB LEU 315 HB2 LEU 315 -7.490 38.434 10.526 218 2HB LEU 315 HB3 LEU 315 -9.176 38.052 10.199 219 HG LEU 315 HG LEU 315 -8.255 40.722 11.362 220 1HD1 LEU 315 HD11 LEU 315 -7.150 40.324 9.195 221 2HD1 LEU 315 HD12 LEU 315 -8.367 41.598 9.065 222 3HD1 LEU 315 HD13 LEU 315 -8.724 39.969 8.446 223 1HD2 LEU 315 HD21 LEU 315 -10.660 40.418 11.619 224 2HD2 LEU 315 HD22 LEU 315 -10.387 41.543 10.295 225 3HD2 LEU 315 HD23 LEU 315 -10.814 39.854 9.942 226 1H GLY 586 H1 GLY 586 5.569 10.159 38.490 227 2H GLY 586 H2 GLY 586 6.309 11.612 38.327 228 3H GLY 586 H3 GLY 586 5.645 11.184 39.763 229 1HA GLY 586 HA2 GLY 586 4.241 12.787 38.635 230 2HA GLY 586 HA3 GLY 586 4.150 11.665 37.266 231 H VAL 587 H VAL 587 1.830 12.455 38.249 232 HA VAL 587 HA VAL 587 0.747 10.154 39.861 233 HB VAL 587 HB VAL 587 -0.099 13.067 40.075 234 1HG1 VAL 587 HG11 VAL 587 -1.347 12.329 42.084 235 2HG1 VAL 587 HG12 VAL 587 -0.898 10.643 41.748 236 3HG1 VAL 587 HG13 VAL 587 -1.957 11.542 40.636 237 1HG2 VAL 587 HG21 VAL 587 1.540 11.378 42.016 238 2HG2 VAL 587 HG22 VAL 587 2.108 12.810 41.123 239 3HG2 VAL 587 HG23 VAL 587 0.874 12.989 42.364 240 H ARG 588 H ARG 588 0.248 12.334 37.147 241 HA ARG 588 HA ARG 588 -2.103 10.795 36.199 242 1HB ARG 588 HB2 ARG 588 -2.784 12.699 37.771 243 2HB ARG 588 HB3 ARG 588 -2.171 13.830 36.571 244 1HG ARG 588 HG2 ARG 588 -3.846 13.053 34.946 245 2HG ARG 588 HG3 ARG 588 -4.383 11.777 36.053 246 1HD ARG 588 HD2 ARG 588 -4.541 14.772 36.602 247 2HD ARG 588 HD3 ARG 588 -5.879 13.783 35.993 248 HE ARG 588 HE ARG 588 -5.031 12.507 38.333 249 1HH1 ARG 588 HH12 ARG 588 -6.438 15.626 37.585 250 2HH1 ARG 588 HH11 ARG 588 -7.125 15.801 39.176 251 1HH2 ARG 588 HH22 ARG 588 -5.919 12.802 40.351 252 2HH2 ARG 588 HH21 ARG 588 -6.846 14.232 40.691 253 H LYS 589 H LYS 589 -2.666 11.316 33.972 254 HA LYS 589 HA LYS 589 -0.576 11.049 32.180 255 1HB LYS 589 HB2 LYS 589 -3.358 12.203 31.705 256 2HB LYS 589 HB3 LYS 589 -2.264 11.743 30.412 257 1HG LYS 589 HG2 LYS 589 -3.313 9.796 32.513 258 2HG LYS 589 HG3 LYS 589 -4.036 10.076 30.946 259 1HD LYS 589 HD2 LYS 589 -1.456 9.521 30.155 260 2HD LYS 589 HD3 LYS 589 -1.544 8.599 31.656 261 1HE LYS 589 HE2 LYS 589 -2.294 7.043 30.053 262 2HE LYS 589 HE3 LYS 589 -3.801 7.669 30.733 263 1HZ LYS 589 HZ1 LYS 589 -2.509 8.433 28.177 264 2HZ LYS 589 HZ2 LYS 589 -3.924 7.664 28.334 265 3HZ LYS 589 HZ3 LYS 589 -3.812 9.248 28.763 266 H GLY 590 H GLY 590 -2.163 14.156 32.891 267 1HA GLY 590 HA2 GLY 590 -1.405 16.325 32.731 268 2HA GLY 590 HA3 GLY 590 0.194 15.719 32.317 269 H TRP 591 H TRP 591 -0.117 14.519 29.920 270 HA TRP 591 HA TRP 591 -0.189 16.659 28.078 271 1HB TRP 591 HB2 TRP 591 0.279 15.104 26.409 272 2HB TRP 591 HB3 TRP 591 1.040 14.490 27.867 273 HD1 TRP 591 HD1 TRP 591 0.167 12.210 28.853 274 HE1 TRP 591 HE1 TRP 591 -1.064 10.237 27.749 275 HE3 TRP 591 HE3 TRP 591 -1.671 14.599 24.708 276 HZ2 TRP 591 HZ2 TRP 591 -2.816 9.823 25.505 277 HZ3 TRP 591 HZ3 TRP 591 -3.046 13.344 23.053 278 HH2 TRP 591 HH2 TRP 591 -3.638 10.979 23.458 279 H HIS 592 H HIS 592 -2.865 14.802 29.210 280 HA HIS 592 HA HIS 592 -4.742 15.146 27.090 281 1HB HIS 592 HB2 HIS 592 -5.071 14.903 30.108 282 2HB HIS 592 HB3 HIS 592 -6.409 14.908 28.970 283 HD1 HIS 592 HD1 HIS 592 -7.151 12.467 29.606 284 HD2 HIS 592 HD2 HIS 592 -3.235 12.809 28.104 285 HE1 HIS 592 HE1 HIS 592 -6.372 10.097 29.099 286 H GLU 593 H GLU 593 -3.513 17.474 29.463 287 HA GLU 593 HA GLU 593 -5.587 19.472 29.084 288 1HB GLU 593 HB2 GLU 593 -2.736 19.672 30.142 289 2HB GLU 593 HB3 GLU 593 -3.966 20.916 30.281 290 1HG GLU 593 HG2 GLU 593 -4.114 18.155 31.567 291 2HG GLU 593 HG3 GLU 593 -3.671 19.648 32.375 292 H HIS 594 H HIS 594 -3.227 18.372 26.967 293 HA HIS 594 HA HIS 594 -2.944 20.967 25.527 294 1HB HIS 594 HB2 HIS 594 -1.081 18.566 25.597 295 2HB HIS 594 HB3 HIS 594 -0.849 20.014 24.628 296 HD1 HIS 594 HD1 HIS 594 0.021 22.207 25.881 297 HD2 HIS 594 HD2 HIS 594 -0.718 18.861 28.323 298 HE1 HIS 594 HE1 HIS 594 1.028 22.749 28.159 299 H VAL 595 H VAL 595 -5.127 18.880 25.371 300 HA VAL 595 HA VAL 595 -5.166 18.508 22.400 301 HB VAL 595 HB VAL 595 -6.077 16.540 24.546 302 1HG1 VAL 595 HG11 VAL 595 -6.641 15.049 22.617 303 2HG1 VAL 595 HG12 VAL 595 -7.706 16.451 22.744 304 3HG1 VAL 595 HG13 VAL 595 -6.421 16.416 21.518 305 1HG2 VAL 595 HG21 VAL 595 -3.643 16.438 24.100 306 2HG2 VAL 595 HG22 VAL 595 -4.481 15.005 23.514 307 3HG2 VAL 595 HG23 VAL 595 -3.971 16.259 22.359 308 H THR 596 H THR 596 -7.011 19.236 21.446 309 HA THR 596 HA THR 596 -9.193 20.335 23.164 310 HB THR 596 HB THR 596 -9.862 21.591 21.180 311 HG1 THR 596 HG1 THR 596 -8.392 21.562 19.386 312 1HG2 THR 596 HG21 THR 596 -8.006 23.138 21.017 313 2HG2 THR 596 HG22 THR 596 -8.133 22.574 22.691 314 3HG2 THR 596 HG23 THR 596 -6.865 21.921 21.627 315 H GLN 597 H GLN 597 -11.430 20.021 22.501 316 HA GLN 597 HA GLN 597 -12.108 17.358 21.722 317 1HB GLN 597 HB2 GLN 597 -13.518 18.966 23.047 318 2HB GLN 597 HB3 GLN 597 -13.865 19.836 21.540 319 1HG GLN 597 HG2 GLN 597 -14.890 17.795 20.589 320 2HG GLN 597 HG3 GLN 597 -14.491 16.885 22.048 321 1HE2 GLN 597 HE22 GLN 597 -17.168 17.715 20.688 322 2HE2 GLN 597 HE21 GLN 597 -18.072 18.385 22.040 323 H ASP 598 H ASP 598 -11.719 20.348 19.779 324 HA ASP 598 HA ASP 598 -12.710 19.272 17.324 325 1HB ASP 598 HB2 ASP 598 -12.130 21.736 17.973 326 2HB ASP 598 HB3 ASP 598 -10.485 21.324 17.463 327 H LEU 599 H LEU 599 -9.424 19.156 18.793 328 HA LEU 599 HA LEU 599 -8.188 17.838 16.579 329 1HB LEU 599 HB2 LEU 599 -6.928 18.978 18.377 330 2HB LEU 599 HB3 LEU 599 -7.460 17.759 19.535 331 HG LEU 599 HG LEU 599 -6.211 16.019 18.365 332 1HD1 LEU 599 HD11 LEU 599 -6.351 16.889 16.028 333 2HD1 LEU 599 HD12 LEU 599 -5.223 18.195 16.470 334 3HD1 LEU 599 HD13 LEU 599 -4.714 16.497 16.511 335 1HD2 LEU 599 HD21 LEU 599 -4.496 18.507 18.786 336 2HD2 LEU 599 HD22 LEU 599 -4.993 17.366 20.051 337 3HD2 LEU 599 HD23 LEU 599 -3.917 16.828 18.752 338 H ARG 600 H ARG 600 -9.773 16.481 19.524 339 HA ARG 600 HA ARG 600 -9.481 13.710 18.831 340 1HB ARG 600 HB2 ARG 600 -11.818 15.041 20.270 341 2HB ARG 600 HB3 ARG 600 -11.468 13.323 20.252 342 1HG ARG 600 HG2 ARG 600 -9.701 15.475 21.488 343 2HG ARG 600 HG3 ARG 600 -10.804 14.429 22.363 344 1HD ARG 600 HD2 ARG 600 -8.367 13.511 20.778 345 2HD ARG 600 HD3 ARG 600 -8.431 13.709 22.525 346 HE ARG 600 HE ARG 600 -9.566 11.512 20.946 347 1HH1 ARG 600 HH11 ARG 600 -9.745 13.066 24.102 348 2HH1 ARG 600 HH12 ARG 600 -10.404 11.641 24.849 349 1HH2 ARG 600 HH21 ARG 600 -10.312 9.750 21.969 350 2HH2 ARG 600 HH22 ARG 600 -10.747 9.812 23.671 351 H SER 601 H SER 601 -12.221 15.904 18.025 352 HA SER 601 HA SER 601 -13.727 14.112 16.474 353 1HB SER 601 HB2 SER 601 -13.311 17.096 16.055 354 2HB SER 601 HB3 SER 601 -14.608 16.130 15.320 355 HG SER 601 HG SER 601 -15.317 17.171 17.243 356 H HIS 602 H HIS 602 -11.250 16.438 15.227 357 HA HIS 602 HA HIS 602 -11.511 15.551 12.520 358 1HB HIS 602 HB2 HIS 602 -10.690 17.764 13.243 359 2HB HIS 602 HB3 HIS 602 -9.235 17.027 13.881 360 HD1 HIS 602 HD1 HIS 602 -10.463 18.700 10.862 361 HD2 HIS 602 HD2 HIS 602 -7.863 15.494 11.660 362 HE1 HIS 602 HE1 HIS 602 -9.072 18.360 8.754 363 H LEU 603 H LEU 603 -9.219 14.533 15.135 364 HA LEU 603 HA LEU 603 -7.690 12.807 13.421 365 1HB LEU 603 HB2 LEU 603 -8.149 12.785 16.427 366 2HB LEU 603 HB3 LEU 603 -7.114 11.623 15.607 367 HG LEU 603 HG LEU 603 -6.674 14.635 15.608 368 1HD1 LEU 603 HD11 LEU 603 -6.222 13.572 17.778 369 2HD1 LEU 603 HD12 LEU 603 -5.189 12.352 16.982 370 3HD1 LEU 603 HD13 LEU 603 -4.708 14.061 17.001 371 1HD2 LEU 603 HD21 LEU 603 -4.520 14.185 14.632 372 2HD2 LEU 603 HD22 LEU 603 -4.899 12.446 14.480 373 3HD2 LEU 603 HD23 LEU 603 -5.780 13.673 13.533 374 H VAL 604 H VAL 604 -10.623 12.041 15.427 375 HA VAL 604 HA VAL 604 -10.785 9.306 14.582 376 HB VAL 604 HB VAL 604 -12.963 11.288 15.328 377 1HG1 VAL 604 HG11 VAL 604 -14.487 9.381 15.577 378 2HG1 VAL 604 HG12 VAL 604 -14.013 9.549 13.897 379 3HG1 VAL 604 HG13 VAL 604 -13.266 8.279 14.896 380 1HG2 VAL 604 HG21 VAL 604 -11.382 10.572 17.130 381 2HG2 VAL 604 HG22 VAL 604 -13.028 10.001 17.416 382 3HG2 VAL 604 HG23 VAL 604 -11.792 8.881 16.799 383 H HIS 605 H HIS 605 -12.205 12.239 13.039 384 HA HIS 605 HA HIS 605 -13.324 10.964 10.799 385 1HB HIS 605 HB2 HIS 605 -14.023 13.073 10.636 386 2HB HIS 605 HB3 HIS 605 -12.730 13.676 11.646 387 HD1 HIS 605 HD1 HIS 605 -10.472 14.515 10.387 388 HD2 HIS 605 HD2 HIS 605 -13.726 13.401 7.963 389 HE1 HIS 605 HE1 HIS 605 -9.972 15.432 8.055 390 H LYS 606 H LYS 606 -9.961 12.057 11.183 391 HA LYS 606 HA LYS 606 -9.275 11.246 8.464 392 1HB LYS 606 HB2 LYS 606 -8.365 13.225 9.728 393 2HB LYS 606 HB3 LYS 606 -7.356 12.105 10.652 394 1HG LYS 606 HG2 LYS 606 -6.014 11.599 8.785 395 2HG LYS 606 HG3 LYS 606 -7.313 11.912 7.630 396 1HD LYS 606 HD2 LYS 606 -5.595 13.639 7.438 397 2HD LYS 606 HD3 LYS 606 -7.146 14.314 7.962 398 1HE LYS 606 HE2 LYS 606 -6.250 14.125 10.371 399 2HE LYS 606 HE3 LYS 606 -4.674 13.778 9.662 400 1HZ LYS 606 HZ1 LYS 606 -4.787 15.975 8.568 401 2HZ LYS 606 HZ2 LYS 606 -6.279 16.240 9.225 402 3HZ LYS 606 HZ3 LYS 606 -4.970 16.103 10.182 403 H LEU 607 H LEU 607 -8.894 9.778 11.644 404 HA LEU 607 HA LEU 607 -7.309 7.529 10.895 405 1HB LEU 607 HB2 LEU 607 -8.344 8.361 13.263 406 2HB LEU 607 HB3 LEU 607 -9.602 7.223 12.841 407 HG LEU 607 HG LEU 607 -7.621 5.522 12.550 408 1HD1 LEU 607 HD11 LEU 607 -5.657 6.065 14.022 409 2HD1 LEU 607 HD12 LEU 607 -5.778 7.224 12.675 410 3HD1 LEU 607 HD13 LEU 607 -6.309 7.688 14.291 411 1HD2 LEU 607 HD21 LEU 607 -9.230 5.402 14.389 412 2HD2 LEU 607 HD22 LEU 607 -7.587 5.015 14.926 413 3HD2 LEU 607 HD23 LEU 607 -8.283 6.609 15.295 414 H VAL 608 H VAL 608 -10.872 8.043 10.883 415 HA VAL 608 HA VAL 608 -11.678 5.654 9.600 416 HB VAL 608 HB VAL 608 -12.892 8.429 9.588 417 1HG1 VAL 608 HG11 VAL 608 -14.987 7.376 8.786 418 2HG1 VAL 608 HG12 VAL 608 -13.730 7.337 7.552 419 3HG1 VAL 608 HG13 VAL 608 -14.095 5.869 8.482 420 1HG2 VAL 608 HG21 VAL 608 -12.843 7.139 11.740 421 2HG2 VAL 608 HG22 VAL 608 -14.473 7.444 11.146 422 3HG2 VAL 608 HG23 VAL 608 -13.736 5.836 10.932 423 H GLN 609 H GLN 609 -10.611 8.734 7.974 424 HA GLN 609 HA GLN 609 -11.093 7.716 5.350 425 1HB GLN 609 HB2 GLN 609 -8.912 9.711 6.074 426 2HB GLN 609 HB3 GLN 609 -9.619 9.421 4.492 427 1HG GLN 609 HG2 GLN 609 -10.752 10.925 6.817 428 2HG GLN 609 HG3 GLN 609 -10.628 11.398 5.145 429 1HE2 GLN 609 HE22 GLN 609 -12.757 10.287 7.526 430 2HE2 GLN 609 HE21 GLN 609 -14.081 9.817 6.450 431 H ALA 610 H ALA 610 -8.139 7.422 7.378 432 HA ALA 610 HA ALA 610 -6.636 6.040 5.310 433 1HB ALA 610 HB1 ALA 610 -5.509 7.286 7.062 434 2HB ALA 610 HB2 ALA 610 -6.246 6.262 8.315 435 3HB ALA 610 HB3 ALA 610 -5.077 5.568 7.165 436 H ILE 611 H ILE 611 -8.847 4.922 7.879 437 HA ILE 611 HA ILE 611 -8.297 2.096 7.500 438 HB ILE 611 HB ILE 611 -10.728 3.532 8.616 439 1HG1 ILE 611 HG12 ILE 611 -8.676 1.935 10.189 440 2HG1 ILE 611 HG13 ILE 611 -8.362 3.607 9.824 441 1HG2 ILE 611 HG21 ILE 611 -11.270 1.209 7.777 442 2HG2 ILE 611 HG22 ILE 611 -10.012 0.562 8.828 443 3HG2 ILE 611 HG23 ILE 611 -11.441 1.372 9.515 444 1HD1 ILE 611 HD11 ILE 611 -10.417 4.306 10.986 445 2HD1 ILE 611 HD12 ILE 611 -10.788 2.619 11.373 446 3HD1 ILE 611 HD13 ILE 611 -9.339 3.387 12.048 447 H PHE 612 H PHE 612 -11.036 4.178 6.263 448 HA PHE 612 HA PHE 612 -10.795 2.822 3.666 449 1HB PHE 612 HB2 PHE 612 -12.360 1.392 4.772 450 2HB PHE 612 HB3 PHE 612 -13.279 2.765 5.368 451 HD1 PHE 612 HD1 PHE 612 -15.406 2.270 4.495 452 HD2 PHE 612 HD2 PHE 612 -12.016 2.265 1.840 453 HE1 PHE 612 HE1 PHE 612 -16.931 2.251 2.553 454 HE2 PHE 612 HE2 PHE 612 -13.552 2.368 -0.111 455 HZ PHE 612 HZ PHE 612 -15.991 2.284 0.231 456 HA PRO 613 HA PRO 613 -11.313 7.250 2.878 457 1HB PRO 613 HB2 PRO 613 -11.344 6.287 0.019 458 2HB PRO 613 HB3 PRO 613 -10.447 7.660 0.739 459 1HG PRO 613 HG2 PRO 613 -9.164 5.343 0.224 460 2HG PRO 613 HG3 PRO 613 -8.884 6.174 1.791 461 1HD PRO 613 HD2 PRO 613 -10.743 3.869 1.186 462 2HD PRO 613 HD3 PRO 613 -9.569 4.019 2.526 463 H THR 614 H THR 614 -13.675 4.921 2.185 464 HA THR 614 HA THR 614 -15.841 4.896 1.780 465 HB THR 614 HB THR 614 -15.631 7.288 3.065 466 HG1 THR 614 HG1 THR 614 -17.794 6.962 3.403 467 1HG2 THR 614 HG21 THR 614 -17.207 8.846 2.108 468 2HG2 THR 614 HG22 THR 614 -15.911 8.610 0.929 469 3HG2 THR 614 HG23 THR 614 -17.479 7.809 0.700 470 HA PRO 615 HA PRO 615 -16.033 5.237 -2.639 471 1HB PRO 615 HB2 PRO 615 -18.414 4.113 -3.195 472 2HB PRO 615 HB3 PRO 615 -17.155 3.197 -2.311 473 1HG PRO 615 HG2 PRO 615 -19.578 4.573 -1.165 474 2HG PRO 615 HG3 PRO 615 -18.916 2.959 -0.776 475 1HD PRO 615 HD2 PRO 615 -18.369 5.344 0.626 476 2HD PRO 615 HD3 PRO 615 -17.394 3.869 0.711 477 H ASP 616 H ASP 616 -18.771 6.613 -0.878 478 HA ASP 616 HA ASP 616 -19.136 8.970 -2.573 479 1HB ASP 616 HB2 ASP 616 -21.122 6.673 -2.371 480 2HB ASP 616 HB3 ASP 616 -21.664 8.279 -2.726 481 HA PRO 617 HA PRO 617 -20.290 10.440 1.397 482 1HB PRO 617 HB2 PRO 617 -22.127 12.442 0.951 483 2HB PRO 617 HB3 PRO 617 -20.387 12.554 0.556 484 1HG PRO 617 HG2 PRO 617 -22.685 11.911 -1.291 485 2HG PRO 617 HG3 PRO 617 -21.285 12.985 -1.588 486 1HD PRO 617 HD2 PRO 617 -21.449 10.405 -2.506 487 2HD PRO 617 HD3 PRO 617 -19.886 11.135 -2.094 488 H ALA 618 H ALA 618 -22.959 9.201 -0.540 489 HA ALA 618 HA ALA 618 -24.920 8.943 1.526 490 1HB ALA 618 HB1 ALA 618 -25.935 7.311 -0.003 491 2HB ALA 618 HB2 ALA 618 -25.396 8.749 -0.889 492 3HB ALA 618 HB3 ALA 618 -24.441 7.248 -0.962 493 H ALA 619 H ALA 619 -21.929 7.142 1.012 494 HA ALA 619 HA ALA 619 -22.738 4.763 2.478 495 1HB ALA 619 HB1 ALA 619 -19.975 5.861 1.863 496 2HB ALA 619 HB2 ALA 619 -20.362 4.197 2.334 497 3HB ALA 619 HB3 ALA 619 -20.918 4.824 0.769 498 H LEU 620 H LEU 620 -20.706 7.639 3.347 499 HA LEU 620 HA LEU 620 -20.539 6.904 6.132 500 1HB LEU 620 HB2 LEU 620 -19.515 9.049 6.511 501 2HB LEU 620 HB3 LEU 620 -18.818 8.185 5.162 502 HG LEU 620 HG LEU 620 -20.107 9.700 3.592 503 1HD1 LEU 620 HD11 LEU 620 -21.832 10.667 5.046 504 2HD1 LEU 620 HD12 LEU 620 -20.593 11.265 6.174 505 3HD1 LEU 620 HD13 LEU 620 -20.744 11.945 4.540 506 1HD2 LEU 620 HD21 LEU 620 -17.707 9.990 4.154 507 2HD2 LEU 620 HD22 LEU 620 -18.512 11.530 3.834 508 3HD2 LEU 620 HD23 LEU 620 -18.162 11.044 5.509 509 H LYS 621 H LYS 621 -23.074 8.334 4.377 510 HA LYS 621 HA LYS 621 -24.542 9.451 6.640 511 1HB LYS 621 HB2 LYS 621 -24.639 10.162 4.206 512 2HB LYS 621 HB3 LYS 621 -25.520 8.672 3.864 513 1HG LYS 621 HG2 LYS 621 -27.376 9.411 5.290 514 2HG LYS 621 HG3 LYS 621 -26.451 10.842 5.793 515 1HD LYS 621 HD2 LYS 621 -26.449 11.672 3.471 516 2HD LYS 621 HD3 LYS 621 -27.283 10.201 2.924 517 1HE LYS 621 HE2 LYS 621 -29.212 10.749 4.387 518 2HE LYS 621 HE3 LYS 621 -28.390 12.216 4.933 519 1HZ LYS 621 HZ1 LYS 621 -28.458 13.035 2.642 520 2HZ LYS 621 HZ2 LYS 621 -29.194 11.671 2.121 521 3HZ LYS 621 HZ3 LYS 621 -29.970 12.681 3.140 522 H ASP 622 H ASP 622 -23.877 6.231 5.851 523 HA ASP 622 HA ASP 622 -26.490 5.233 6.917 524 1HB ASP 622 HB2 ASP 622 -26.109 4.873 4.488 525 2HB ASP 622 HB3 ASP 622 -24.649 3.956 4.866 526 H ARG 623 H ARG 623 -26.540 3.322 8.105 527 HA ARG 623 HA ARG 623 -24.699 3.120 10.204 528 1HB ARG 623 HB2 ARG 623 -27.164 2.385 9.989 529 2HB ARG 623 HB3 ARG 623 -26.551 0.850 9.393 530 1HG ARG 623 HG2 ARG 623 -25.624 2.076 12.032 531 2HG ARG 623 HG3 ARG 623 -27.140 1.202 11.932 532 1HD ARG 623 HD2 ARG 623 -24.443 -0.028 11.255 533 2HD ARG 623 HD3 ARG 623 -25.249 -0.138 12.814 534 HE ARG 623 HE ARG 623 -27.092 -1.028 10.858 535 1HH1 ARG 623 HH11 ARG 623 -24.058 -2.131 12.250 536 2HH1 ARG 623 HH12 ARG 623 -24.486 -3.812 12.041 537 1HH2 ARG 623 HH21 ARG 623 -27.530 -3.191 10.574 538 2HH2 ARG 623 HH22 ARG 623 -26.373 -4.386 11.078 539 H ARG 624 H ARG 624 -24.651 1.383 7.133 540 HA ARG 624 HA ARG 624 -22.823 -0.714 7.681 541 1HB ARG 624 HB2 ARG 624 -23.213 1.027 5.219 542 2HB ARG 624 HB3 ARG 624 -22.151 -0.384 5.238 543 1HG ARG 624 HG2 ARG 624 -23.941 -1.905 5.631 544 2HG ARG 624 HG3 ARG 624 -25.068 -0.613 6.056 545 1HD ARG 624 HD2 ARG 624 -24.899 0.272 3.709 546 2HD ARG 624 HD3 ARG 624 -23.853 -1.090 3.304 547 HE ARG 624 HE ARG 624 -25.700 -2.472 3.186 548 1HH1 ARG 624 HH11 ARG 624 -26.760 0.437 4.904 549 2HH1 ARG 624 HH12 ARG 624 -28.430 -0.053 4.819 550 1HH2 ARG 624 HH21 ARG 624 -27.847 -3.010 3.166 551 2HH2 ARG 624 HH22 ARG 624 -29.023 -1.951 3.886 552 H MET 625 H MET 625 -22.026 2.675 6.841 553 HA MET 625 HA MET 625 -19.155 2.203 7.302 554 1HB MET 625 HB2 MET 625 -20.062 3.738 5.526 555 2HB MET 625 HB3 MET 625 -20.640 4.801 6.817 556 1HG MET 625 HG2 MET 625 -18.531 5.584 5.846 557 2HG MET 625 HG3 MET 625 -18.339 5.202 7.555 558 1HE MET 625 HE1 MET 625 -14.788 4.447 5.983 559 2HE MET 625 HE2 MET 625 -15.908 5.546 5.143 560 3HE MET 625 HE3 MET 625 -15.791 5.578 6.916 561 H GLU 626 H GLU 626 -21.898 3.662 9.114 562 HA GLU 626 HA GLU 626 -20.484 4.762 11.237 563 1HB GLU 626 HB2 GLU 626 -22.998 4.784 10.754 564 2HB GLU 626 HB3 GLU 626 -23.060 3.254 11.653 565 1HG GLU 626 HG2 GLU 626 -22.089 4.375 13.633 566 2HG GLU 626 HG3 GLU 626 -21.950 5.882 12.726 567 H ASN 627 H ASN 627 -21.139 1.315 10.700 568 HA ASN 627 HA ASN 627 -20.160 0.225 13.154 569 1HB ASN 627 HB2 ASN 627 -19.784 -0.851 10.325 570 2HB ASN 627 HB3 ASN 627 -19.604 -1.775 11.807 571 1HD2 ASN 627 HD22 ASN 627 -21.459 -1.936 9.397 572 2HD2 ASN 627 HD21 ASN 627 -23.032 -2.156 10.146 573 H LEU 628 H LEU 628 -18.359 1.180 10.222 574 HA LEU 628 HA LEU 628 -15.740 0.458 11.219 575 1HB LEU 628 HB2 LEU 628 -16.410 0.428 8.880 576 2HB LEU 628 HB3 LEU 628 -16.663 2.165 8.864 577 HG LEU 628 HG LEU 628 -13.950 1.027 9.591 578 1HD1 LEU 628 HD11 LEU 628 -13.384 1.178 7.167 579 2HD1 LEU 628 HD12 LEU 628 -14.615 -0.042 7.495 580 3HD1 LEU 628 HD13 LEU 628 -15.084 1.529 6.804 581 1HD2 LEU 628 HD21 LEU 628 -14.882 3.618 8.288 582 2HD2 LEU 628 HD22 LEU 628 -14.109 3.456 9.877 583 3HD2 LEU 628 HD23 LEU 628 -13.182 3.140 8.415 584 H VAL 629 H VAL 629 -17.539 3.497 10.947 585 HA VAL 629 HA VAL 629 -15.640 5.285 12.104 586 HB VAL 629 HB VAL 629 -18.660 5.266 12.087 587 1HG1 VAL 629 HG11 VAL 629 -18.630 7.659 12.582 588 2HG1 VAL 629 HG12 VAL 629 -18.072 6.696 13.949 589 3HG1 VAL 629 HG13 VAL 629 -16.883 7.568 12.940 590 1HG2 VAL 629 HG21 VAL 629 -18.449 6.909 10.308 591 2HG2 VAL 629 HG22 VAL 629 -16.688 6.964 10.509 592 3HG2 VAL 629 HG23 VAL 629 -17.466 5.508 9.873 593 H ALA 630 H ALA 630 -18.119 3.283 13.790 594 HA ALA 630 HA ALA 630 -17.417 4.108 16.436 595 1HB ALA 630 HB1 ALA 630 -18.716 1.535 15.435 596 2HB ALA 630 HB2 ALA 630 -18.729 2.131 17.108 597 3HB ALA 630 HB3 ALA 630 -19.560 3.046 15.836 598 H TYR 631 H TYR 631 -16.298 1.346 14.438 599 HA TYR 631 HA TYR 631 -14.404 0.225 16.252 600 1HB TYR 631 HB2 TYR 631 -14.916 -1.065 14.409 601 2HB TYR 631 HB3 TYR 631 -14.876 0.269 13.293 602 HD1 TYR 631 HD1 TYR 631 -12.819 -2.339 14.921 603 HD2 TYR 631 HD2 TYR 631 -12.798 1.084 12.268 604 HE1 TYR 631 HE1 TYR 631 -10.695 -3.055 13.974 605 HE2 TYR 631 HE2 TYR 631 -10.610 0.339 11.359 606 HH TYR 631 HH TYR 631 -9.027 -1.276 11.355 607 H ALA 632 H ALA 632 -13.954 2.856 13.813 608 HA ALA 632 HA ALA 632 -11.247 3.412 14.456 609 1HB ALA 632 HB1 ALA 632 -13.372 5.329 13.419 610 2HB ALA 632 HB2 ALA 632 -11.615 5.491 13.250 611 3HB ALA 632 HB3 ALA 632 -12.471 4.175 12.417 612 H LYS 633 H LYS 633 -14.276 4.823 15.857 613 HA LYS 633 HA LYS 633 -12.970 6.596 17.720 614 1HB LYS 633 HB2 LYS 633 -15.660 5.167 17.801 615 2HB LYS 633 HB3 LYS 633 -15.120 6.266 19.074 616 1HG LYS 633 HG2 LYS 633 -14.917 8.108 17.498 617 2HG LYS 633 HG3 LYS 633 -15.376 7.058 16.145 618 1HD LYS 633 HD2 LYS 633 -17.584 6.646 17.220 619 2HD LYS 633 HD3 LYS 633 -17.122 7.724 18.557 620 1HE LYS 633 HE2 LYS 633 -16.847 9.595 16.937 621 2HE LYS 633 HE3 LYS 633 -17.325 8.522 15.616 622 1HZ LYS 633 HZ1 LYS 633 -19.497 8.261 16.715 623 2HZ LYS 633 HZ2 LYS 633 -19.048 9.263 17.925 624 3HZ LYS 633 HZ3 LYS 633 -19.208 9.837 16.408 625 H LYS 634 H LYS 634 -13.922 3.170 18.122 626 HA LYS 634 HA LYS 634 -13.003 2.917 20.825 627 1HB LYS 634 HB2 LYS 634 -14.566 1.364 19.629 628 2HB LYS 634 HB3 LYS 634 -13.194 0.723 18.712 629 1HG LYS 634 HG2 LYS 634 -12.120 -0.013 20.822 630 2HG LYS 634 HG3 LYS 634 -13.442 0.716 21.756 631 1HD LYS 634 HD2 LYS 634 -15.054 -0.862 20.683 632 2HD LYS 634 HD3 LYS 634 -13.732 -1.548 19.732 633 1HE LYS 634 HE2 LYS 634 -14.106 -3.043 21.546 634 2HE LYS 634 HE3 LYS 634 -12.579 -2.217 21.859 635 1HZ LYS 634 HZ1 LYS 634 -15.187 -1.505 23.104 636 2HZ LYS 634 HZ2 LYS 634 -13.995 -2.334 23.843 637 3HZ LYS 634 HZ3 LYS 634 -13.761 -0.774 23.433 638 H VAL 635 H VAL 635 -11.286 2.214 17.752 639 HA VAL 635 HA VAL 635 -8.765 1.509 18.933 640 HB VAL 635 HB VAL 635 -9.457 2.697 16.223 641 1HG1 VAL 635 HG11 VAL 635 -7.191 1.996 15.489 642 2HG1 VAL 635 HG12 VAL 635 -7.107 3.294 16.678 643 3HG1 VAL 635 HG13 VAL 635 -6.761 1.622 17.173 644 1HG2 VAL 635 HG21 VAL 635 -10.231 0.345 16.714 645 2HG2 VAL 635 HG22 VAL 635 -9.036 0.425 15.417 646 3HG2 VAL 635 HG23 VAL 635 -8.550 -0.104 17.041 647 H GLU 636 H GLU 636 -9.909 4.750 17.755 648 HA GLU 636 HA GLU 636 -7.636 6.203 18.484 649 1HB GLU 636 HB2 GLU 636 -9.534 7.011 17.124 650 2HB GLU 636 HB3 GLU 636 -10.539 7.145 18.547 651 1HG GLU 636 HG2 GLU 636 -7.891 8.585 18.584 652 2HG GLU 636 HG3 GLU 636 -9.091 9.161 17.440 653 H GLY 637 H GLY 637 -10.492 5.537 20.548 654 1HA GLY 637 HA2 GLY 637 -9.576 6.868 22.876 655 2HA GLY 637 HA3 GLY 637 -10.770 5.565 22.820 656 H ASP 638 H ASP 638 -8.891 3.514 21.760 657 HA ASP 638 HA ASP 638 -7.789 2.680 24.331 658 1HB ASP 638 HB2 ASP 638 -8.835 1.147 22.642 659 2HB ASP 638 HB3 ASP 638 -7.458 1.430 21.575 660 H MET 639 H MET 639 -6.475 4.049 21.333 661 HA MET 639 HA MET 639 -3.661 3.795 22.087 662 1HB MET 639 HB2 MET 639 -5.033 5.596 20.060 663 2HB MET 639 HB3 MET 639 -3.299 5.298 20.160 664 1HG MET 639 HG2 MET 639 -5.399 3.169 19.557 665 2HG MET 639 HG3 MET 639 -4.488 4.030 18.354 666 1HE MET 639 HE1 MET 639 -3.276 0.341 20.795 667 2HE MET 639 HE2 MET 639 -3.990 1.712 21.649 668 3HE MET 639 HE3 MET 639 -4.900 0.908 20.353 669 H TYR 640 H TYR 640 -6.139 6.361 22.327 670 HA TYR 640 HA TYR 640 -4.547 8.406 23.511 671 1HB TYR 640 HB2 TYR 640 -6.787 8.621 22.480 672 2HB TYR 640 HB3 TYR 640 -7.501 7.740 23.806 673 HD1 TYR 640 HD1 TYR 640 -5.914 10.911 22.742 674 HD2 TYR 640 HD2 TYR 640 -7.886 8.844 25.976 675 HE1 TYR 640 HE1 TYR 640 -6.187 13.066 23.946 676 HE2 TYR 640 HE2 TYR 640 -8.209 11.018 27.156 677 HH TYR 640 HH TYR 640 -7.050 14.123 25.789 678 H GLU 641 H GLU 641 -6.607 5.889 25.133 679 HA GLU 641 HA GLU 641 -5.838 6.636 27.783 680 1HB GLU 641 HB2 GLU 641 -6.997 4.123 26.550 681 2HB GLU 641 HB3 GLU 641 -6.620 4.216 28.266 682 1HG GLU 641 HG2 GLU 641 -8.432 6.240 26.884 683 2HG GLU 641 HG3 GLU 641 -9.021 4.754 27.618 684 H SER 642 H SER 642 -4.162 4.660 25.414 685 HA SER 642 HA SER 642 -2.401 3.359 27.362 686 1HB SER 642 HB2 SER 642 -2.213 3.564 24.330 687 2HB SER 642 HB3 SER 642 -1.162 2.579 25.361 688 HG SER 642 HG SER 642 -3.940 2.307 24.880 689 H ALA 643 H ALA 643 -2.128 6.273 25.328 690 HA ALA 643 HA ALA 643 0.733 6.388 25.475 691 1HB ALA 643 HB1 ALA 643 -0.712 7.181 23.587 692 2HB ALA 643 HB2 ALA 643 -1.281 8.487 24.625 693 3HB ALA 643 HB3 ALA 643 0.432 8.411 24.162 694 H ASN 644 H ASN 644 2.020 7.985 26.245 695 HA ASN 644 HA ASN 644 1.197 9.375 28.763 696 1HB ASN 644 HB2 ASN 644 3.959 8.445 27.880 697 2HB ASN 644 HB3 ASN 644 3.494 9.036 29.474 698 1HD2 ASN 644 HD22 ASN 644 3.197 6.370 27.186 699 2HD2 ASN 644 HD21 ASN 644 2.561 5.207 28.343 700 H SER 645 H SER 645 1.985 10.061 25.585 701 HA SER 645 HA SER 645 1.999 12.923 26.151 702 1HB SER 645 HB2 SER 645 3.949 13.514 24.880 703 2HB SER 645 HB3 SER 645 4.447 12.382 26.144 704 HG SER 645 HG SER 645 4.950 12.188 23.622 705 H ARG 646 H ARG 646 1.690 14.222 24.138 706 HA ARG 646 HA ARG 646 -0.351 13.080 22.492 707 1HB ARG 646 HB2 ARG 646 -0.033 15.516 23.147 708 2HB ARG 646 HB3 ARG 646 1.225 15.623 21.908 709 1HG ARG 646 HG2 ARG 646 -0.428 15.053 20.152 710 2HG ARG 646 HG3 ARG 646 -1.654 14.739 21.391 711 1HD ARG 646 HD2 ARG 646 -2.155 16.904 20.580 712 2HD ARG 646 HD3 ARG 646 -1.375 17.121 22.160 713 HE ARG 646 HE ARG 646 0.304 17.317 19.691 714 1HH1 ARG 646 HH22 ARG 646 -1.341 19.244 22.166 715 2HH1 ARG 646 HH21 ARG 646 -0.234 20.564 21.913 716 1HH2 ARG 646 HH11 ARG 646 1.505 18.979 19.402 717 2HH2 ARG 646 HH12 ARG 646 1.372 20.436 20.380 718 H ASP 647 H ASP 647 3.072 13.744 21.757 719 HA ASP 647 HA ASP 647 2.966 12.816 19.056 720 1HB ASP 647 HB2 ASP 647 5.288 12.993 19.046 721 2HB ASP 647 HB3 ASP 647 4.714 14.304 20.056 722 H GLU 648 H GLU 648 3.497 11.023 22.115 723 HA GLU 648 HA GLU 648 4.114 8.495 20.814 724 1HB GLU 648 HB2 GLU 648 4.735 9.068 23.153 725 2HB GLU 648 HB3 GLU 648 3.020 9.063 23.598 726 1HG GLU 648 HG2 GLU 648 2.881 6.660 22.958 727 2HG GLU 648 HG3 GLU 648 4.586 6.693 22.487 728 H TYR 649 H TYR 649 1.112 10.021 22.037 729 HA TYR 649 HA TYR 649 -0.736 7.951 21.394 730 1HB TYR 649 HB2 TYR 649 -1.537 9.657 22.733 731 2HB TYR 649 HB3 TYR 649 -0.811 10.924 21.788 732 HD1 TYR 649 HD1 TYR 649 -3.443 8.257 21.448 733 HD2 TYR 649 HD2 TYR 649 -2.126 12.234 20.430 734 HE1 TYR 649 HE1 TYR 649 -5.680 8.748 20.444 735 HE2 TYR 649 HE2 TYR 649 -4.311 12.710 19.410 736 HH TYR 649 HH TYR 649 -6.479 11.941 19.060 737 H TYR 650 H TYR 650 0.079 10.840 19.357 738 HA TYR 650 HA TYR 650 -0.962 10.010 16.921 739 1HB TYR 650 HB2 TYR 650 1.533 11.539 17.703 740 2HB TYR 650 HB3 TYR 650 1.365 11.052 16.030 741 HD1 TYR 650 HD1 TYR 650 -1.091 11.399 15.030 742 HD2 TYR 650 HD2 TYR 650 0.775 13.735 18.137 743 HE1 TYR 650 HE1 TYR 650 -2.531 13.320 14.441 744 HE2 TYR 650 HE2 TYR 650 -0.669 15.674 17.550 745 HH TYR 650 HH TYR 650 -2.326 16.441 16.223 746 H HIS 651 H HIS 651 2.312 8.980 18.116 747 HA HIS 651 HA HIS 651 2.853 7.321 15.868 748 1HB HIS 651 HB2 HIS 651 4.561 8.036 17.482 749 2HB HIS 651 HB3 HIS 651 3.824 7.034 18.734 750 HD1 HIS 651 HD1 HIS 651 5.262 6.388 15.136 751 HD2 HIS 651 HD2 HIS 651 4.882 4.675 18.979 752 HE1 HIS 651 HE1 HIS 651 6.490 4.159 15.060 753 H LEU 652 H LEU 652 1.188 6.483 18.948 754 HA LEU 652 HA LEU 652 0.758 3.718 18.297 755 1HB LEU 652 HB2 LEU 652 -0.562 5.679 20.204 756 2HB LEU 652 HB3 LEU 652 -1.113 4.023 20.065 757 HG LEU 652 HG LEU 652 1.756 4.739 20.783 758 1HD1 LEU 652 HD11 LEU 652 -0.617 4.006 22.552 759 2HD1 LEU 652 HD12 LEU 652 1.077 4.144 23.098 760 3HD1 LEU 652 HD13 LEU 652 0.229 5.567 22.484 761 1HD2 LEU 652 HD21 LEU 652 0.174 2.138 21.015 762 2HD2 LEU 652 HD22 LEU 652 1.517 2.448 19.884 763 3HD2 LEU 652 HD23 LEU 652 1.822 2.409 21.620 764 H LEU 653 H LEU 653 -1.391 6.582 17.757 765 HA LEU 653 HA LEU 653 -3.504 5.187 16.408 766 1HB LEU 653 HB2 LEU 653 -2.342 7.964 15.860 767 2HB LEU 653 HB3 LEU 653 -3.803 7.316 15.136 768 HG LEU 653 HG LEU 653 -3.467 8.004 18.072 769 1HD1 LEU 653 HD11 LEU 653 -5.118 9.772 17.432 770 2HD1 LEU 653 HD12 LEU 653 -3.560 9.961 16.616 771 3HD1 LEU 653 HD13 LEU 653 -4.958 9.294 15.742 772 1HD2 LEU 653 HD21 LEU 653 -5.853 7.604 18.242 773 2HD2 LEU 653 HD22 LEU 653 -5.945 7.111 16.536 774 3HD2 LEU 653 HD23 LEU 653 -5.068 6.115 17.712 775 H ALA 654 H ALA 654 -0.585 6.762 15.050 776 HA ALA 654 HA ALA 654 -1.148 6.054 12.380 777 1HB ALA 654 HB1 ALA 654 1.157 6.830 11.955 778 2HB ALA 654 HB2 ALA 654 0.308 7.953 13.032 779 3HB ALA 654 HB3 ALA 654 1.500 6.814 13.696 780 H GLU 655 H GLU 655 0.701 4.228 14.876 781 HA GLU 655 HA GLU 655 1.795 2.225 13.153 782 1HB GLU 655 HB2 GLU 655 2.452 2.558 15.524 783 2HB GLU 655 HB3 GLU 655 0.858 1.998 16.044 784 1HG GLU 655 HG2 GLU 655 1.361 -0.214 14.883 785 2HG GLU 655 HG3 GLU 655 2.988 0.389 14.571 786 H LYS 656 H LYS 656 -1.370 2.327 14.881 787 HA LYS 656 HA LYS 656 -2.296 -0.228 13.818 788 1HB LYS 656 HB2 LYS 656 -3.592 2.102 15.268 789 2HB LYS 656 HB3 LYS 656 -4.605 0.883 14.487 790 1HG LYS 656 HG2 LYS 656 -4.201 0.404 16.878 791 2HG LYS 656 HG3 LYS 656 -3.714 -0.881 15.757 792 1HD LYS 656 HD2 LYS 656 -1.413 -0.432 16.013 793 2HD LYS 656 HD3 LYS 656 -1.739 1.070 16.922 794 1HE LYS 656 HE2 LYS 656 -2.891 -0.445 18.655 795 2HE LYS 656 HE3 LYS 656 -2.151 -1.807 17.798 796 1HZ LYS 656 HZ1 LYS 656 -0.710 0.452 19.080 797 2HZ LYS 656 HZ2 LYS 656 -0.690 -1.108 19.578 798 3HZ LYS 656 HZ3 LYS 656 0.046 -0.669 18.179 799 H ILE 657 H ILE 657 -2.742 3.137 12.786 800 HA ILE 657 HA ILE 657 -4.204 2.584 10.388 801 HB ILE 657 HB ILE 657 -2.306 4.771 11.251 802 1HG1 ILE 657 HG12 ILE 657 -4.453 4.841 12.340 803 2HG1 ILE 657 HG13 ILE 657 -4.341 6.172 11.200 804 1HG2 ILE 657 HG21 ILE 657 -3.541 4.513 8.513 805 2HG2 ILE 657 HG22 ILE 657 -3.146 6.097 9.225 806 3HG2 ILE 657 HG23 ILE 657 -1.876 4.908 8.989 807 1HD1 ILE 657 HD11 ILE 657 -5.573 4.435 9.579 808 2HD1 ILE 657 HD12 ILE 657 -6.092 3.764 11.141 809 3HD1 ILE 657 HD13 ILE 657 -6.426 5.465 10.728 810 H TYR 658 H TYR 658 -0.621 2.509 10.954 811 HA TYR 658 HA TYR 658 -0.015 1.946 8.242 812 1HB TYR 658 HB2 TYR 658 1.543 2.664 10.200 813 2HB TYR 658 HB3 TYR 658 1.657 0.953 10.556 814 HD1 TYR 658 HD1 TYR 658 2.389 3.694 8.256 815 HD2 TYR 658 HD2 TYR 658 2.835 -0.558 8.818 816 HE1 TYR 658 HE1 TYR 658 3.888 3.606 6.307 817 HE2 TYR 658 HE2 TYR 658 4.502 -0.610 6.969 818 HH TYR 658 HH TYR 658 5.572 0.591 5.327 819 H LYS 659 H LYS 659 -0.520 -0.347 11.009 820 HA LYS 659 HA LYS 659 -0.289 -2.749 9.497 821 1HB LYS 659 HB2 LYS 659 -0.524 -2.830 11.923 822 2HB LYS 659 HB3 LYS 659 -2.150 -2.133 11.838 823 1HG LYS 659 HG2 LYS 659 -2.958 -4.102 10.572 824 2HG LYS 659 HG3 LYS 659 -1.326 -4.790 10.577 825 1HD LYS 659 HD2 LYS 659 -1.434 -5.117 12.990 826 2HD LYS 659 HD3 LYS 659 -2.930 -4.177 13.092 827 1HE LYS 659 HE2 LYS 659 -3.491 -6.523 13.222 828 2HE LYS 659 HE3 LYS 659 -4.124 -5.849 11.719 829 1HZ LYS 659 HZ1 LYS 659 -1.583 -7.390 11.863 830 2HZ LYS 659 HZ2 LYS 659 -3.024 -8.038 11.439 831 3HZ LYS 659 HZ3 LYS 659 -2.359 -6.915 10.493 832 H ILE 660 H ILE 660 -3.331 -0.957 10.167 833 HA ILE 660 HA ILE 660 -4.980 -2.504 8.494 834 HB ILE 660 HB ILE 660 -5.167 0.410 9.324 835 1HG1 ILE 660 HG12 ILE 660 -6.752 -1.981 10.368 836 2HG1 ILE 660 HG13 ILE 660 -5.199 -1.545 11.057 837 1HG2 ILE 660 HG21 ILE 660 -7.301 -1.307 7.967 838 2HG2 ILE 660 HG22 ILE 660 -7.615 0.236 8.781 839 3HG2 ILE 660 HG23 ILE 660 -6.592 0.207 7.358 840 1HD1 ILE 660 HD11 ILE 660 -6.843 -0.549 12.444 841 2HD1 ILE 660 HD12 ILE 660 -6.090 0.772 11.532 842 3HD1 ILE 660 HD13 ILE 660 -7.694 0.165 11.068 843 H GLN 661 H GLN 661 -3.403 0.618 7.519 844 HA GLN 661 HA GLN 661 -4.391 0.505 4.857 845 1HB GLN 661 HB2 GLN 661 -3.520 2.535 6.109 846 2HB GLN 661 HB3 GLN 661 -1.888 1.908 5.881 847 1HG GLN 661 HG2 GLN 661 -2.073 3.425 4.141 848 2HG GLN 661 HG3 GLN 661 -2.479 1.930 3.314 849 1HE2 GLN 661 HE22 GLN 661 -4.837 1.551 2.814 850 2HE2 GLN 661 HE21 GLN 661 -5.924 2.932 2.826 851 H LYS 662 H LYS 662 -1.140 -0.411 6.134 852 HA LYS 662 HA LYS 662 -0.028 -0.940 3.550 853 1HB LYS 662 HB2 LYS 662 1.202 -0.293 5.699 854 2HB LYS 662 HB3 LYS 662 0.878 -1.924 6.286 855 1HG LYS 662 HG2 LYS 662 3.021 -2.077 5.632 856 2HG LYS 662 HG3 LYS 662 2.214 -2.773 4.257 857 1HD LYS 662 HD2 LYS 662 3.269 0.098 4.466 858 2HD LYS 662 HD3 LYS 662 4.106 -1.234 3.669 859 1HE LYS 662 HE2 LYS 662 1.480 0.039 2.804 860 2HE LYS 662 HE3 LYS 662 3.054 0.264 2.058 861 1HZ LYS 662 HZ1 LYS 662 3.058 -2.094 1.456 862 2HZ LYS 662 HZ2 LYS 662 1.564 -2.312 2.108 863 3HZ LYS 662 HZ3 LYS 662 1.771 -1.299 0.826 864 H GLU 663 H GLU 663 -1.417 -3.077 6.010 865 HA GLU 663 HA GLU 663 -0.947 -5.573 4.680 866 1HB GLU 663 HB2 GLU 663 -1.605 -5.200 7.078 867 2HB GLU 663 HB3 GLU 663 -3.248 -4.824 6.537 868 1HG GLU 663 HG2 GLU 663 -3.495 -7.068 5.619 869 2HG GLU 663 HG3 GLU 663 -1.813 -7.458 6.017 870 H LEU 664 H LEU 664 -3.912 -3.470 4.673 871 HA LEU 664 HA LEU 664 -5.426 -4.995 2.834 872 1HB LEU 664 HB2 LEU 664 -5.345 -2.113 3.703 873 2HB LEU 664 HB3 LEU 664 -6.281 -2.503 2.285 874 HG LEU 664 HG LEU 664 -7.817 -3.831 3.387 875 1HD1 LEU 664 HD11 LEU 664 -6.461 -5.246 4.871 876 2HD1 LEU 664 HD12 LEU 664 -6.161 -3.858 5.938 877 3HD1 LEU 664 HD13 LEU 664 -7.804 -4.482 5.729 878 1HD2 LEU 664 HD21 LEU 664 -7.050 -1.542 5.238 879 2HD2 LEU 664 HD22 LEU 664 -8.064 -1.445 3.785 880 3HD2 LEU 664 HD23 LEU 664 -8.614 -2.363 5.212 881 H GLU 665 H GLU 665 -3.043 -2.408 2.096 882 HA GLU 665 HA GLU 665 -3.504 -2.273 -0.657 883 1HB GLU 665 HB2 GLU 665 -2.119 -0.749 0.850 884 2HB GLU 665 HB3 GLU 665 -0.817 -1.932 0.738 885 1HG GLU 665 HG2 GLU 665 -0.769 -1.532 -1.759 886 2HG GLU 665 HG3 GLU 665 -2.043 -0.324 -1.552 887 H GLU 666 H GLU 666 -2.059 -4.979 0.926 888 HA GLU 666 HA GLU 666 -1.481 -6.117 -1.789 889 1HB GLU 666 HB2 GLU 666 0.239 -7.512 -0.897 890 2HB GLU 666 HB3 GLU 666 0.608 -5.817 -0.585 891 1HG GLU 666 HG2 GLU 666 -0.166 -6.098 1.776 892 2HG GLU 666 HG3 GLU 666 -0.494 -7.804 1.451 893 H LYS 667 H LYS 667 -2.917 -6.771 1.392 894 HA LYS 667 HA LYS 667 -3.659 -9.476 0.690 895 1HB LYS 667 HB2 LYS 667 -4.605 -7.677 2.957 896 2HB LYS 667 HB3 LYS 667 -5.010 -9.377 2.818 897 1HG LYS 667 HG2 LYS 667 -2.227 -8.219 3.188 898 2HG LYS 667 HG3 LYS 667 -3.183 -9.062 4.389 899 1HD LYS 667 HD2 LYS 667 -2.034 -10.358 1.868 900 2HD LYS 667 HD3 LYS 667 -1.307 -10.354 3.458 901 1HE LYS 667 HE2 LYS 667 -2.297 -12.409 3.474 902 2HE LYS 667 HE3 LYS 667 -3.486 -11.435 4.333 903 1HZ LYS 667 HZ1 LYS 667 -3.636 -12.243 1.471 904 2HZ LYS 667 HZ2 LYS 667 -4.483 -12.905 2.682 905 3HZ LYS 667 HZ3 LYS 667 -4.784 -11.352 2.248 906 H ARG 668 H ARG 668 -5.155 -6.577 -0.329 907 HA ARG 668 HA ARG 668 -7.440 -8.315 -1.265 908 1HB ARG 668 HB2 ARG 668 -8.929 -6.527 -1.306 909 2HB ARG 668 HB3 ARG 668 -8.099 -6.467 0.239 910 1HG ARG 668 HG2 ARG 668 -6.537 -4.711 -1.054 911 2HG ARG 668 HG3 ARG 668 -7.918 -4.569 -2.112 912 1HD ARG 668 HD2 ARG 668 -9.365 -4.006 -0.192 913 2HD ARG 668 HD3 ARG 668 -8.001 -4.226 0.921 914 HE ARG 668 HE ARG 668 -6.985 -2.365 -0.749 915 1HH1 ARG 668 HH11 ARG 668 -10.124 -2.368 0.904 916 2HH1 ARG 668 HH12 ARG 668 -10.294 -0.670 0.663 917 1HH2 ARG 668 HH21 ARG 668 -7.245 -0.143 -0.769 918 2HH2 ARG 668 HH22 ARG 668 -8.648 0.556 -0.008 919 H ARG 669 H ARG 669 -4.940 -6.108 -2.381 920 HA ARG 669 HA ARG 669 -5.659 -6.114 -5.158 921 1HB ARG 669 HB2 ARG 669 -4.091 -4.492 -4.218 922 2HB ARG 669 HB3 ARG 669 -2.980 -5.775 -3.742 923 1HG ARG 669 HG2 ARG 669 -2.179 -4.572 -5.722 924 2HG ARG 669 HG3 ARG 669 -2.447 -6.274 -6.063 925 1HD ARG 669 HD2 ARG 669 -4.708 -5.614 -7.081 926 2HD ARG 669 HD3 ARG 669 -4.241 -3.934 -6.841 927 HE ARG 669 HE ARG 669 -2.785 -4.081 -8.644 928 1HH1 ARG 669 HH21 ARG 669 -3.745 -7.392 -7.869 929 2HH1 ARG 669 HH22 ARG 669 -3.065 -7.999 -9.356 930 1HH2 ARG 669 HH11 ARG 669 -1.979 -4.956 -10.508 931 2HH2 ARG 669 HH12 ARG 669 -2.105 -6.665 -10.800 932 H SER 670 H SER 670 -3.899 -8.515 -3.252 933 HA SER 670 HA SER 670 -3.134 -10.103 -5.579 934 1HB SER 670 HB2 SER 670 -2.326 -11.672 -3.898 935 2HB SER 670 HB3 SER 670 -1.732 -10.038 -3.584 936 HG SER 670 HG SER 670 -2.982 -9.874 -1.854 937 H ARG 671 H ARG 671 -6.137 -9.762 -4.093 938 HA ARG 671 HA ARG 671 -6.950 -12.635 -4.485 939 1HB ARG 671 HB2 ARG 671 -8.148 -10.544 -2.634 940 2HB ARG 671 HB3 ARG 671 -8.579 -12.246 -2.706 941 1HG ARG 671 HG2 ARG 671 -5.905 -11.154 -1.727 942 2HG ARG 671 HG3 ARG 671 -7.264 -11.647 -0.735 943 1HD ARG 671 HD2 ARG 671 -5.788 -13.415 -0.608 944 2HD ARG 671 HD3 ARG 671 -7.052 -13.983 -1.700 945 HE ARG 671 HE ARG 671 -5.312 -13.115 -3.514 946 1HH1 ARG 671 HH12 ARG 671 -4.281 -14.808 -0.570 947 2HH1 ARG 671 HH11 ARG 671 -2.920 -15.495 -1.419 948 1HH2 ARG 671 HH21 ARG 671 -3.586 -13.928 -4.408 949 2HH2 ARG 671 HH22 ARG 671 -2.517 -15.006 -3.534 950 H LEU 672 H LEU 672 -7.083 -10.066 -6.263 951 HA LEU 672 HA LEU 672 -9.835 -9.570 -6.906 952 1HB LEU 672 HB2 LEU 672 -7.345 -9.307 -8.635 953 2HB LEU 672 HB3 LEU 672 -8.921 -8.621 -8.999 954 HG LEU 672 HG LEU 672 -7.151 -7.841 -6.643 955 1HD1 LEU 672 HD11 LEU 672 -7.894 -6.381 -9.211 956 2HD1 LEU 672 HD12 LEU 672 -6.926 -5.715 -7.881 957 3HD1 LEU 672 HD13 LEU 672 -6.307 -7.084 -8.823 958 1HD2 LEU 672 HD21 LEU 672 -9.825 -6.704 -7.555 959 2HD2 LEU 672 HD22 LEU 672 -9.494 -7.542 -6.018 960 3HD2 LEU 672 HD23 LEU 672 -8.749 -5.976 -6.339 961 1H SER 839 H1 SER 839 3.707 -7.991 15.777 962 2H SER 839 H2 SER 839 4.800 -7.345 16.812 963 3H SER 839 H3 SER 839 3.207 -7.240 17.151 964 HA SER 839 HA SER 839 4.825 -9.691 17.021 965 1HB SER 839 HB2 SER 839 3.613 -8.405 19.491 966 2HB SER 839 HB3 SER 839 4.596 -9.881 19.414 967 HG SER 839 HG SER 839 5.866 -8.060 19.950 968 H ASP 840 H ASP 840 1.621 -8.659 18.423 969 HA ASP 840 HA ASP 840 0.356 -11.039 17.148 970 1HB ASP 840 HB2 ASP 840 1.258 -11.538 19.455 971 2HB ASP 840 HB3 ASP 840 0.176 -10.305 20.097 972 H ALA 841 H ALA 841 0.163 -8.254 16.439 973 HA ALA 841 HA ALA 841 -2.078 -6.957 17.652 974 1HB ALA 841 HB1 ALA 841 -1.609 -5.221 15.980 975 2HB ALA 841 HB2 ALA 841 -0.590 -6.348 15.060 976 3HB ALA 841 HB3 ALA 841 -0.100 -5.815 16.686 977 H GLY 842 H GLY 842 -2.517 -9.604 15.789 978 1HA GLY 842 HA2 GLY 842 -4.140 -9.018 13.608 979 2HA GLY 842 HA3 GLY 842 -4.321 -10.446 14.627 980 H ASN 843 H ASN 843 -5.143 -8.989 17.002 981 HA ASN 843 HA ASN 843 -7.966 -8.823 16.601 982 1HB ASN 843 HB2 ASN 843 -6.751 -9.483 18.706 983 2HB ASN 843 HB3 ASN 843 -6.296 -7.793 18.934 984 1HD2 ASN 843 HD22 ASN 843 -7.604 -6.888 20.508 985 2HD2 ASN 843 HD21 ASN 843 -9.315 -7.242 20.684 986 H ILE 844 H ILE 844 -5.589 -6.362 15.995 987 HA ILE 844 HA ILE 844 -7.137 -4.016 16.547 988 HB ILE 844 HB ILE 844 -4.866 -4.601 14.632 989 1HG1 ILE 844 HG12 ILE 844 -4.248 -4.646 16.996 990 2HG1 ILE 844 HG13 ILE 844 -3.518 -3.273 16.189 991 1HG2 ILE 844 HG21 ILE 844 -6.014 -2.773 13.552 992 2HG2 ILE 844 HG22 ILE 844 -6.111 -1.863 15.062 993 3HG2 ILE 844 HG23 ILE 844 -4.530 -2.181 14.290 994 1HD1 ILE 844 HD11 ILE 844 -5.896 -3.216 18.106 995 2HD1 ILE 844 HD12 ILE 844 -4.271 -2.596 18.385 996 3HD1 ILE 844 HD13 ILE 844 -5.323 -1.794 17.205 997 H LEU 845 H LEU 845 -7.428 -6.296 13.904 998 HA LEU 845 HA LEU 845 -9.504 -4.558 12.624 999 1HB LEU 845 HB2 LEU 845 -7.449 -4.379 11.386 1000 2HB LEU 845 HB3 LEU 845 -7.272 -6.129 11.322 1001 HG LEU 845 HG LEU 845 -9.197 -6.319 9.824 1002 1HD1 LEU 845 HD11 LEU 845 -10.574 -4.374 10.516 1003 2HD1 LEU 845 HD12 LEU 845 -9.339 -3.279 9.860 1004 3HD1 LEU 845 HD13 LEU 845 -10.241 -4.337 8.770 1005 1HD2 LEU 845 HD21 LEU 845 -6.932 -5.944 8.913 1006 2HD2 LEU 845 HD22 LEU 845 -8.190 -5.268 7.871 1007 3HD2 LEU 845 HD23 LEU 845 -7.229 -4.191 8.905 1008 HA PRO 846 HA PRO 846 -11.626 -8.494 13.957 1009 1HB PRO 846 HB2 PRO 846 -13.780 -6.409 13.462 1010 2HB PRO 846 HB3 PRO 846 -13.751 -7.714 14.695 1011 1HG PRO 846 HG2 PRO 846 -13.131 -5.222 15.424 1012 2HG PRO 846 HG3 PRO 846 -12.030 -6.554 15.935 1013 1HD PRO 846 HD2 PRO 846 -11.798 -4.743 13.516 1014 2HD PRO 846 HD3 PRO 846 -10.559 -5.077 14.776 1015 H SER 847 H SER 847 -12.709 -9.988 12.656 1016 HA SER 847 HA SER 847 -12.237 -9.907 9.899 1017 1HB SER 847 HB2 SER 847 -13.661 -11.959 9.815 1018 2HB SER 847 HB3 SER 847 -12.388 -11.984 11.048 1019 HG SER 847 HG SER 847 -14.403 -12.718 11.878 1020 H ASP 848 H ASP 848 -15.243 -8.981 11.570 1021 HA ASP 848 HA ASP 848 -16.873 -8.831 9.204 1022 1HB ASP 848 HB2 ASP 848 -17.728 -8.992 11.530 1023 2HB ASP 848 HB3 ASP 848 -17.147 -7.358 11.855 1024 H ILE 849 H ILE 849 -14.980 -6.298 10.936 1025 HA ILE 849 HA ILE 849 -15.597 -4.215 8.981 1026 HB ILE 849 HB ILE 849 -13.588 -4.416 11.247 1027 1HG1 ILE 849 HG12 ILE 849 -14.792 -2.386 12.057 1028 2HG1 ILE 849 HG13 ILE 849 -15.877 -2.460 10.676 1029 1HG2 ILE 849 HG21 ILE 849 -12.423 -3.147 9.474 1030 2HG2 ILE 849 HG22 ILE 849 -13.850 -2.116 9.251 1031 3HG2 ILE 849 HG23 ILE 849 -12.924 -2.070 10.764 1032 1HD1 ILE 849 HD11 ILE 849 -16.881 -3.265 12.791 1033 2HD1 ILE 849 HD12 ILE 849 -16.887 -4.515 11.543 1034 3HD1 ILE 849 HD13 ILE 849 -15.682 -4.577 12.860 1035 H MET 850 H MET 850 -12.957 -6.616 9.388 1036 HA MET 850 HA MET 850 -11.326 -5.746 7.254 1037 1HB MET 850 HB2 MET 850 -10.841 -7.559 8.982 1038 2HB MET 850 HB3 MET 850 -11.797 -8.660 7.991 1039 1HG MET 850 HG2 MET 850 -10.289 -8.311 6.088 1040 2HG MET 850 HG3 MET 850 -9.390 -7.092 6.992 1041 1HE MET 850 HE1 MET 850 -6.703 -9.865 6.838 1042 2HE MET 850 HE2 MET 850 -7.826 -9.350 5.562 1043 3HE MET 850 HE3 MET 850 -7.070 -8.140 6.626 1044 H ASP 851 H ASP 851 -13.950 -8.250 7.077 1045 HA ASP 851 HA ASP 851 -13.828 -8.577 4.264 1046 1HB ASP 851 HB2 ASP 851 -14.943 -10.157 5.789 1047 2HB ASP 851 HB3 ASP 851 -16.142 -8.934 6.217 1048 H PHE 852 H PHE 852 -15.580 -6.117 6.148 1049 HA PHE 852 HA PHE 852 -17.051 -4.994 3.928 1050 1HB PHE 852 HB2 PHE 852 -17.577 -4.630 6.315 1051 2HB PHE 852 HB3 PHE 852 -16.072 -3.766 6.534 1052 HD1 PHE 852 HD1 PHE 852 -16.246 -1.451 6.650 1053 HD2 PHE 852 HD2 PHE 852 -19.098 -3.635 4.267 1054 HE1 PHE 852 HE1 PHE 852 -17.481 0.656 6.200 1055 HE2 PHE 852 HE2 PHE 852 -20.325 -1.527 3.808 1056 HZ PHE 852 HZ PHE 852 -19.524 0.623 4.781 1057 H VAL 853 H VAL 853 -13.927 -3.936 5.466 1058 HA VAL 853 HA VAL 853 -13.457 -1.966 3.435 1059 HB VAL 853 HB VAL 853 -11.419 -3.150 5.391 1060 1HG1 VAL 853 HG11 VAL 853 -10.333 -1.882 3.553 1061 2HG1 VAL 853 HG12 VAL 853 -11.483 -0.549 3.739 1062 3HG1 VAL 853 HG13 VAL 853 -10.322 -0.907 5.025 1063 1HG2 VAL 853 HG21 VAL 853 -13.350 -2.114 6.566 1064 2HG2 VAL 853 HG22 VAL 853 -11.897 -1.132 6.714 1065 3HG2 VAL 853 HG23 VAL 853 -13.181 -0.668 5.564 1066 H LEU 854 H LEU 854 -12.337 -5.400 3.562 1067 HA LEU 854 HA LEU 854 -10.525 -5.122 1.351 1068 1HB LEU 854 HB2 LEU 854 -12.145 -7.621 1.963 1069 2HB LEU 854 HB3 LEU 854 -10.716 -7.467 0.959 1070 HG LEU 854 HG LEU 854 -10.926 -7.703 3.912 1071 1HD1 LEU 854 HD11 LEU 854 -8.922 -8.726 1.886 1072 2HD1 LEU 854 HD12 LEU 854 -9.069 -9.211 3.587 1073 3HD1 LEU 854 HD13 LEU 854 -10.370 -9.594 2.449 1074 1HD2 LEU 854 HD21 LEU 854 -9.682 -5.594 3.766 1075 2HD2 LEU 854 HD22 LEU 854 -8.634 -6.921 4.262 1076 3HD2 LEU 854 HD23 LEU 854 -8.570 -6.327 2.580 1077 H LYS 855 H LYS 855 -14.004 -5.732 1.470 1078 HA LYS 855 HA LYS 855 -14.349 -6.189 -1.393 1079 1HB LYS 855 HB2 LYS 855 -15.552 -7.323 0.378 1080 2HB LYS 855 HB3 LYS 855 -16.342 -5.805 0.860 1081 1HG LYS 855 HG2 LYS 855 -17.679 -5.749 -1.059 1082 2HG LYS 855 HG3 LYS 855 -16.559 -6.736 -2.002 1083 1HD LYS 855 HD2 LYS 855 -18.592 -7.934 -1.516 1084 2HD LYS 855 HD3 LYS 855 -17.200 -8.757 -0.853 1085 1HE LYS 855 HE2 LYS 855 -19.012 -6.978 0.843 1086 2HE LYS 855 HE3 LYS 855 -19.342 -8.687 0.559 1087 1HZ LYS 855 HZ1 LYS 855 -18.120 -8.527 2.607 1088 2HZ LYS 855 HZ2 LYS 855 -17.129 -9.195 1.538 1089 3HZ LYS 855 HZ3 LYS 855 -16.930 -7.631 1.950 1090 H ASN 856 H ASN 856 -14.958 -3.393 0.756 1091 HA ASN 856 HA ASN 856 -16.693 -2.031 -0.989 1092 1HB ASN 856 HB2 ASN 856 -14.810 -0.917 1.131 1093 2HB ASN 856 HB3 ASN 856 -16.061 -0.004 0.298 1094 1HD2 ASN 856 HD22 ASN 856 -15.996 -0.176 3.031 1095 2HD2 ASN 856 HD21 ASN 856 -17.419 -1.075 3.547 1096 H THR 857 H THR 857 -13.138 -1.416 -0.692 1097 HA THR 857 HA THR 857 -13.314 0.751 -2.567 1098 HB THR 857 HB THR 857 -10.644 -0.442 -1.911 1099 HG1 THR 857 HG1 THR 857 -12.390 0.838 -0.094 1100 1HG2 THR 857 HG21 THR 857 -11.727 2.398 -1.933 1101 2HG2 THR 857 HG22 THR 857 -10.044 1.910 -1.613 1102 3HG2 THR 857 HG23 THR 857 -10.749 1.633 -3.214 1103 HA PRO 858 HA PRO 858 -10.988 -1.731 -5.762 1104 1HB PRO 858 HB2 PRO 858 -10.201 -4.300 -5.534 1105 2HB PRO 858 HB3 PRO 858 -9.419 -2.977 -4.620 1106 1HG PRO 858 HG2 PRO 858 -11.467 -4.971 -3.620 1107 2HG PRO 858 HG3 PRO 858 -10.004 -4.374 -2.812 1108 1HD PRO 858 HD2 PRO 858 -12.576 -3.367 -2.413 1109 2HD PRO 858 HD3 PRO 858 -11.067 -2.490 -2.051 1110 H SER 859 H SER 859 -12.844 -4.625 -4.686 1111 HA SER 859 HA SER 859 -14.673 -4.649 -6.988 1112 1HB SER 859 HB2 SER 859 -12.444 -6.714 -6.622 1113 2HB SER 859 HB3 SER 859 -13.845 -6.930 -7.682 1114 HG SER 859 HG SER 859 -12.088 -6.173 -8.872 1115 H MET 860 H MET 860 -16.090 -6.562 -6.877 1116 HA MET 860 HA MET 860 -17.325 -6.935 -4.420 1117 1HB MET 860 HB2 MET 860 -18.686 -8.641 -5.598 1118 2HB MET 860 HB3 MET 860 -18.484 -7.142 -6.487 1119 1HG MET 860 HG2 MET 860 -18.338 -8.960 -8.027 1120 2HG MET 860 HG3 MET 860 -16.763 -8.196 -7.922 1121 1HE MET 860 HE1 MET 860 -15.403 -10.064 -9.058 1122 2HE MET 860 HE2 MET 860 -15.663 -11.796 -8.759 1123 3HE MET 860 HE3 MET 860 -16.971 -10.810 -9.449 1124 H GLN 861 H GLN 861 -14.413 -8.461 -5.033 1125 HA GLN 861 HA GLN 861 -14.772 -11.085 -3.994 1126 1HB GLN 861 HB2 GLN 861 -12.397 -9.199 -4.083 1127 2HB GLN 861 HB3 GLN 861 -12.266 -10.847 -3.469 1128 1HG GLN 861 HG2 GLN 861 -13.385 -10.263 -6.240 1129 2HG GLN 861 HG3 GLN 861 -11.664 -10.433 -5.930 1130 1HE2 GLN 861 HE22 GLN 861 -11.702 -12.257 -7.438 1131 2HE2 GLN 861 HE21 GLN 861 -12.302 -13.823 -6.871 1132 H ALA 862 H ALA 862 -14.153 -11.952 -1.923 1133 HA ALA 862 HA ALA 862 -14.674 -10.136 0.399 1134 1HB ALA 862 HB1 ALA 862 -16.786 -11.134 -0.460 1135 2HB ALA 862 HB2 ALA 862 -16.084 -12.756 -0.280 1136 3HB ALA 862 HB3 ALA 862 -16.382 -11.755 1.151 1137 H LEU 863 H LEU 863 -14.415 -11.242 2.505 1138 HA LEU 863 HA LEU 863 -11.800 -12.442 2.743 1139 1HB LEU 863 HB2 LEU 863 -13.039 -10.855 4.328 1140 2HB LEU 863 HB3 LEU 863 -13.995 -12.229 4.845 1141 HG LEU 863 HG LEU 863 -12.269 -11.703 6.435 1142 1HD1 LEU 863 HD11 LEU 863 -11.211 -13.801 6.793 1143 2HD1 LEU 863 HD12 LEU 863 -12.799 -14.136 6.084 1144 3HD1 LEU 863 HD13 LEU 863 -11.326 -14.255 5.089 1145 1HD2 LEU 863 HD21 LEU 863 -10.188 -12.211 4.271 1146 2HD2 LEU 863 HD22 LEU 863 -10.661 -10.622 4.917 1147 3HD2 LEU 863 HD23 LEU 863 -9.889 -11.813 5.972 1148 H GLY 864 H GLY 864 -11.366 -14.509 2.251 1149 1HA GLY 864 HA2 GLY 864 -12.707 -16.718 3.423 1150 2HA GLY 864 HA3 GLY 864 -13.149 -16.588 1.712 1151 H GLU 865 H GLU 865 -9.990 -15.802 3.162 1152 HA GLU 865 HA GLU 865 -8.547 -17.315 1.165 1153 1HB GLU 865 HB2 GLU 865 -7.887 -15.130 2.134 1154 2HB GLU 865 HB3 GLU 865 -7.586 -15.908 3.692 1155 1HG GLU 865 HG2 GLU 865 -5.709 -17.133 2.803 1156 2HG GLU 865 HG3 GLU 865 -6.173 -16.755 1.135 1157 H SER 866 H SER 866 -9.793 -18.249 4.261 1158 HA SER 866 HA SER 866 -8.352 -20.832 4.168 1159 1HB SER 866 HB2 SER 866 -7.604 -20.652 6.469 1160 2HB SER 866 HB3 SER 866 -7.008 -19.254 5.573 1161 HG SER 866 HG SER 866 -7.922 -18.687 7.610 1162 HA PRO 867 HA PRO 867 -12.116 -22.639 5.777 1163 1HB PRO 867 HB2 PRO 867 -10.481 -23.905 7.972 1164 2HB PRO 867 HB3 PRO 867 -11.663 -24.667 6.862 1165 1HG PRO 867 HG2 PRO 867 -9.009 -24.959 6.435 1166 2HG PRO 867 HG3 PRO 867 -10.102 -24.615 5.053 1167 1HD PRO 867 HD2 PRO 867 -8.363 -22.686 6.603 1168 2HD PRO 867 HD3 PRO 867 -8.561 -22.854 4.832 1169 H GLU 868 H GLU 868 -10.441 -20.399 7.734 1170 HA GLU 868 HA GLU 868 -11.813 -20.684 10.244 1171 1HB GLU 868 HB2 GLU 868 -10.265 -18.369 9.020 1172 2HB GLU 868 HB3 GLU 868 -10.813 -18.430 10.696 1173 1HG GLU 868 HG2 GLU 868 -9.466 -20.428 11.132 1174 2HG GLU 868 HG3 GLU 868 -8.925 -20.477 9.453 1175 H SER 869 H SER 869 -13.007 -19.402 7.316 1176 HA SER 869 HA SER 869 -14.594 -17.208 7.983 1177 1HB SER 869 HB2 SER 869 -15.233 -19.467 6.053 1178 2HB SER 869 HB3 SER 869 -16.010 -17.870 6.077 1179 HG SER 869 HG SER 869 -14.232 -18.009 4.573 Start of MODEL 5 1 1H LYS 291 H1 LYS 291 10.276 2.877 -1.430 2 2H LYS 291 H2 LYS 291 9.991 4.420 -1.000 3 3H LYS 291 H3 LYS 291 11.377 3.683 -0.534 4 HA LYS 291 HA LYS 291 8.645 2.940 0.341 5 1HB LYS 291 HB2 LYS 291 11.324 1.659 0.960 6 2HB LYS 291 HB3 LYS 291 10.053 1.677 2.165 7 1HG LYS 291 HG2 LYS 291 9.849 -0.375 1.118 8 2HG LYS 291 HG3 LYS 291 8.478 0.588 0.580 9 1HD LYS 291 HD2 LYS 291 9.573 0.964 -1.605 10 2HD LYS 291 HD3 LYS 291 11.007 0.071 -1.070 11 1HE LYS 291 HE2 LYS 291 8.180 -1.077 -1.282 12 2HE LYS 291 HE3 LYS 291 9.410 -1.215 -2.539 13 1HZ LYS 291 HZ1 LYS 291 9.381 -3.194 -1.166 14 2HZ LYS 291 HZ2 LYS 291 10.809 -2.436 -0.956 15 3HZ LYS 291 HZ3 LYS 291 9.653 -2.346 0.198 16 H GLU 292 H GLU 292 11.726 3.898 1.957 17 HA GLU 292 HA GLU 292 10.715 4.644 4.322 18 1HB GLU 292 HB2 GLU 292 13.121 4.536 3.553 19 2HB GLU 292 HB3 GLU 292 12.937 6.165 2.918 20 1HG GLU 292 HG2 GLU 292 14.014 6.338 5.037 21 2HG GLU 292 HG3 GLU 292 12.385 6.959 5.251 22 H LYS 293 H LYS 293 10.936 7.003 1.615 23 HA LYS 293 HA LYS 293 9.864 9.273 2.931 24 1HB LYS 293 HB2 LYS 293 10.930 9.369 0.730 25 2HB LYS 293 HB3 LYS 293 9.660 8.374 0.025 26 1HG LYS 293 HG2 LYS 293 9.383 10.699 -0.600 27 2HG LYS 293 HG3 LYS 293 8.008 10.162 0.358 28 1HD LYS 293 HD2 LYS 293 8.912 11.332 2.349 29 2HD LYS 293 HD3 LYS 293 10.354 11.806 1.421 30 1HE LYS 293 HE2 LYS 293 8.911 13.051 -0.171 31 2HE LYS 293 HE3 LYS 293 7.474 12.562 0.735 32 1HZ LYS 293 HZ1 LYS 293 8.341 13.799 2.650 33 2HZ LYS 293 HZ2 LYS 293 9.674 14.247 1.815 34 3HZ LYS 293 HZ3 LYS 293 8.205 14.791 1.363 35 H ARG 294 H ARG 294 7.985 6.785 1.138 36 HA ARG 294 HA ARG 294 5.418 7.969 1.827 37 1HB ARG 294 HB2 ARG 294 5.751 6.521 -0.128 38 2HB ARG 294 HB3 ARG 294 6.116 5.134 0.897 39 1HG ARG 294 HG2 ARG 294 3.486 6.624 1.235 40 2HG ARG 294 HG3 ARG 294 3.711 5.538 -0.126 41 1HD ARG 294 HD2 ARG 294 4.235 3.664 1.430 42 2HD ARG 294 HD3 ARG 294 3.920 4.699 2.814 43 HE ARG 294 HE ARG 294 1.614 4.904 2.188 44 1HH1 ARG 294 HH11 ARG 294 3.244 2.458 0.247 45 2HH1 ARG 294 HH12 ARG 294 1.730 1.614 -0.058 46 1HH2 ARG 294 HH21 ARG 294 -0.256 3.866 1.522 47 2HH2 ARG 294 HH22 ARG 294 -0.118 2.475 0.460 48 H ILE 295 H ILE 295 7.418 5.413 3.343 49 HA ILE 295 HA ILE 295 5.471 4.619 5.301 50 HB ILE 295 HB ILE 295 8.510 4.577 5.384 51 1HG1 ILE 295 HG12 ILE 295 8.041 3.037 3.768 52 2HG1 ILE 295 HG13 ILE 295 8.019 2.023 5.180 53 1HG2 ILE 295 HG21 ILE 295 8.130 2.858 7.262 54 2HG2 ILE 295 HG22 ILE 295 7.967 4.567 7.645 55 3HG2 ILE 295 HG23 ILE 295 6.514 3.597 7.419 56 1HD1 ILE 295 HD11 ILE 295 6.207 1.346 3.785 57 2HD1 ILE 295 HD12 ILE 295 5.440 2.232 5.115 58 3HD1 ILE 295 HD13 ILE 295 5.655 3.006 3.537 59 H LYS 296 H LYS 296 8.046 7.126 5.531 60 HA LYS 296 HA LYS 296 7.116 8.129 8.067 61 1HB LYS 296 HB2 LYS 296 9.395 8.538 7.085 62 2HB LYS 296 HB3 LYS 296 8.666 9.571 5.863 63 1HG LYS 296 HG2 LYS 296 9.677 10.858 7.715 64 2HG LYS 296 HG3 LYS 296 7.960 11.188 7.531 65 1HD LYS 296 HD2 LYS 296 8.632 11.047 9.895 66 2HD LYS 296 HD3 LYS 296 7.422 9.831 9.496 67 1HE LYS 296 HE2 LYS 296 9.258 8.125 9.264 68 2HE LYS 296 HE3 LYS 296 10.432 9.365 9.726 69 1HZ LYS 296 HZ1 LYS 296 9.798 8.053 11.645 70 2HZ LYS 296 HZ2 LYS 296 9.203 9.560 11.861 71 3HZ LYS 296 HZ3 LYS 296 8.206 8.330 11.418 72 H GLU 297 H GLU 297 6.333 9.098 4.712 73 HA GLU 297 HA GLU 297 4.669 11.285 5.229 74 1HB GLU 297 HB2 GLU 297 5.474 10.459 2.998 75 2HB GLU 297 HB3 GLU 297 4.288 9.165 3.088 76 1HG GLU 297 HG2 GLU 297 2.468 10.861 3.132 77 2HG GLU 297 HG3 GLU 297 3.711 12.119 3.074 78 H LEU 298 H LEU 298 3.645 7.821 5.101 79 HA LEU 298 HA LEU 298 0.895 8.277 5.698 80 1HB LEU 298 HB2 LEU 298 1.879 6.154 4.774 81 2HB LEU 298 HB3 LEU 298 2.656 5.871 6.332 82 HG LEU 298 HG LEU 298 0.301 5.892 7.377 83 1HD1 LEU 298 HD11 LEU 298 -1.569 5.342 5.862 84 2HD1 LEU 298 HD12 LEU 298 -0.939 6.957 5.528 85 3HD1 LEU 298 HD13 LEU 298 -0.517 5.603 4.454 86 1HD2 LEU 298 HD21 LEU 298 0.977 3.716 5.379 87 2HD2 LEU 298 HD22 LEU 298 1.548 3.852 7.065 88 3HD2 LEU 298 HD23 LEU 298 -0.173 3.598 6.739 89 H GLU 299 H GLU 299 3.681 7.639 7.868 90 HA GLU 299 HA GLU 299 2.108 7.536 10.265 91 1HB GLU 299 HB2 GLU 299 4.488 6.606 9.837 92 2HB GLU 299 HB3 GLU 299 5.047 8.282 10.012 93 1HG GLU 299 HG2 GLU 299 3.794 8.251 12.293 94 2HG GLU 299 HG3 GLU 299 3.673 6.511 12.070 95 H LEU 300 H LEU 300 3.997 10.141 8.747 96 HA LEU 300 HA LEU 300 3.497 12.167 10.698 97 1HB LEU 300 HB2 LEU 300 5.425 11.978 9.071 98 2HB LEU 300 HB3 LEU 300 4.308 12.338 7.759 99 HG LEU 300 HG LEU 300 3.913 14.610 8.833 100 1HD1 LEU 300 HD11 LEU 300 5.610 15.405 10.439 101 2HD1 LEU 300 HD12 LEU 300 4.689 14.070 11.138 102 3HD1 LEU 300 HD13 LEU 300 6.323 13.778 10.518 103 1HD2 LEU 300 HD21 LEU 300 5.441 14.297 6.935 104 2HD2 LEU 300 HD22 LEU 300 6.057 15.527 8.049 105 3HD2 LEU 300 HD23 LEU 300 6.767 13.896 8.048 106 H LEU 301 H LEU 301 1.624 11.085 7.900 107 HA LEU 301 HA LEU 301 0.095 13.348 7.332 108 1HB LEU 301 HB2 LEU 301 -0.083 10.459 6.857 109 2HB LEU 301 HB3 LEU 301 -1.678 11.125 7.111 110 HG LEU 301 HG LEU 301 0.305 12.279 5.105 111 1HD1 LEU 301 HD11 LEU 301 -0.270 9.968 4.498 112 2HD1 LEU 301 HD12 LEU 301 -2.003 10.327 4.680 113 3HD1 LEU 301 HD13 LEU 301 -1.051 11.110 3.396 114 1HD2 LEU 301 HD21 LEU 301 -1.485 13.858 5.804 115 2HD2 LEU 301 HD22 LEU 301 -1.723 13.322 4.137 116 3HD2 LEU 301 HD23 LEU 301 -2.715 12.627 5.435 117 H LEU 302 H LEU 302 -0.514 10.969 9.940 118 HA LEU 302 HA LEU 302 -2.869 12.347 10.976 119 1HB LEU 302 HB2 LEU 302 -0.867 10.398 12.195 120 2HB LEU 302 HB3 LEU 302 -2.179 11.132 13.124 121 HG LEU 302 HG LEU 302 -2.515 9.256 10.771 122 1HD1 LEU 302 HD11 LEU 302 -3.173 9.037 13.738 123 2HD1 LEU 302 HD12 LEU 302 -3.334 7.749 12.524 124 3HD1 LEU 302 HD13 LEU 302 -1.734 8.346 12.975 125 1HD2 LEU 302 HD21 LEU 302 -4.914 9.203 11.433 126 2HD2 LEU 302 HD22 LEU 302 -4.635 10.535 12.567 127 3HD2 LEU 302 HD23 LEU 302 -4.456 10.795 10.809 128 H MET 303 H MET 303 0.616 12.410 11.884 129 HA MET 303 HA MET 303 0.393 14.069 14.111 130 1HB MET 303 HB2 MET 303 2.674 13.877 12.122 131 2HB MET 303 HB3 MET 303 2.799 14.616 13.722 132 1HG MET 303 HG2 MET 303 2.258 12.501 14.797 133 2HG MET 303 HG3 MET 303 2.002 11.724 13.231 134 1HE MET 303 HE1 MET 303 3.382 9.820 13.728 135 2HE MET 303 HE2 MET 303 5.094 9.803 14.223 136 3HE MET 303 HE3 MET 303 3.839 10.355 15.362 137 H SER 304 H SER 304 0.606 15.011 10.720 138 HA SER 304 HA SER 304 1.028 17.815 10.961 139 1HB SER 304 HB2 SER 304 -0.412 16.255 8.782 140 2HB SER 304 HB3 SER 304 0.203 17.913 8.642 141 HG SER 304 HG SER 304 1.702 15.518 9.028 142 H THR 305 H THR 305 -1.844 16.018 11.649 143 HA THR 305 HA THR 305 -3.892 17.681 10.701 144 HB THR 305 HB THR 305 -3.917 15.866 13.134 145 HG1 THR 305 HG1 THR 305 -3.427 14.602 11.585 146 1HG2 THR 305 HG21 THR 305 -6.163 17.006 11.435 147 2HG2 THR 305 HG22 THR 305 -6.329 15.499 12.364 148 3HG2 THR 305 HG23 THR 305 -5.982 17.003 13.212 149 H GLU 306 H GLU 306 -1.971 18.215 13.606 150 HA GLU 306 HA GLU 306 -3.670 19.858 15.119 151 1HB GLU 306 HB2 GLU 306 -0.691 20.273 14.617 152 2HB GLU 306 HB3 GLU 306 -1.609 20.873 16.004 153 1HG GLU 306 HG2 GLU 306 -2.074 18.521 16.685 154 2HG GLU 306 HG3 GLU 306 -1.070 17.943 15.349 155 H ASN 307 H ASN 307 -1.944 20.732 12.139 156 HA ASN 307 HA ASN 307 -2.609 23.589 12.306 157 1HB ASN 307 HB2 ASN 307 -1.475 21.838 10.074 158 2HB ASN 307 HB3 ASN 307 -1.641 23.588 9.990 159 1HD2 ASN 307 HD22 ASN 307 -0.245 24.934 11.310 160 2HD2 ASN 307 HD21 ASN 307 1.217 24.241 11.998 161 H GLU 308 H GLU 308 -4.221 20.726 11.085 162 HA GLU 308 HA GLU 308 -5.742 22.087 8.986 163 1HB GLU 308 HB2 GLU 308 -6.033 19.296 10.177 164 2HB GLU 308 HB3 GLU 308 -6.838 19.882 8.728 165 1HG GLU 308 HG2 GLU 308 -3.817 19.583 9.061 166 2HG GLU 308 HG3 GLU 308 -4.877 18.449 8.242 167 H LEU 309 H LEU 309 -6.356 21.159 12.348 168 HA LEU 309 HA LEU 309 -9.168 21.371 12.398 169 1HB LEU 309 HB2 LEU 309 -6.973 21.689 14.445 170 2HB LEU 309 HB3 LEU 309 -8.591 22.186 14.889 171 HG LEU 309 HG LEU 309 -8.071 19.925 15.642 172 1HD1 LEU 309 HD11 LEU 309 -10.397 20.552 15.227 173 2HD1 LEU 309 HD12 LEU 309 -10.287 19.911 13.567 174 3HD1 LEU 309 HD13 LEU 309 -10.107 18.835 14.959 175 1HD2 LEU 309 HD21 LEU 309 -6.666 19.122 13.841 176 2HD2 LEU 309 HD22 LEU 309 -8.040 18.032 14.072 177 3HD2 LEU 309 HD23 LEU 309 -8.033 19.142 12.697 178 H LYS 310 H LYS 310 -6.853 23.930 12.182 179 HA LYS 310 HA LYS 310 -8.469 26.184 12.966 180 1HB LYS 310 HB2 LYS 310 -6.093 25.994 11.061 181 2HB LYS 310 HB3 LYS 310 -6.743 27.485 11.748 182 1HG LYS 310 HG2 LYS 310 -6.146 26.745 14.024 183 2HG LYS 310 HG3 LYS 310 -5.572 25.200 13.402 184 1HD LYS 310 HD2 LYS 310 -3.660 26.605 13.822 185 2HD LYS 310 HD3 LYS 310 -3.819 26.305 12.097 186 1HE LYS 310 HE2 LYS 310 -3.178 28.594 12.402 187 2HE LYS 310 HE3 LYS 310 -4.828 28.565 11.788 188 1HZ LYS 310 HZ1 LYS 310 -5.604 28.975 14.072 189 2HZ LYS 310 HZ2 LYS 310 -4.071 28.966 14.640 190 3HZ LYS 310 HZ3 LYS 310 -4.560 30.143 13.626 191 H GLY 311 H GLY 311 -8.680 24.204 10.174 192 1HA GLY 311 HA2 GLY 311 -10.615 26.069 8.876 193 2HA GLY 311 HA3 GLY 311 -9.255 25.431 7.939 194 H GLN 312 H GLN 312 -10.954 23.599 10.419 195 HA GLN 312 HA GLN 312 -11.310 21.289 8.853 196 1HB GLN 312 HB2 GLN 312 -12.526 20.433 10.791 197 2HB GLN 312 HB3 GLN 312 -11.088 21.320 11.285 198 1HG GLN 312 HG2 GLN 312 -12.544 23.326 11.792 199 2HG GLN 312 HG3 GLN 312 -13.961 22.363 11.376 200 1HE2 GLN 312 HE22 GLN 312 -11.506 22.973 13.820 201 2HE2 GLN 312 HE21 GLN 312 -12.254 21.932 15.050 202 H GLN 313 H GLN 313 -13.429 24.039 8.895 203 HA GLN 313 HA GLN 313 -15.946 22.714 8.512 204 1HB GLN 313 HB2 GLN 313 -15.006 25.534 7.847 205 2HB GLN 313 HB3 GLN 313 -16.682 24.984 7.702 206 1HG GLN 313 HG2 GLN 313 -16.714 24.400 10.115 207 2HG GLN 313 HG3 GLN 313 -15.065 25.001 10.293 208 1HE2 GLN 313 HE22 GLN 313 -16.932 26.103 11.945 209 2HE2 GLN 313 HE21 GLN 313 -17.315 27.733 11.407 210 H ALA 314 H ALA 314 -17.211 22.403 6.710 211 HA ALA 314 HA ALA 314 -16.011 22.600 3.991 212 1HB ALA 314 HB1 ALA 314 -15.400 20.409 5.005 213 2HB ALA 314 HB2 ALA 314 -17.124 20.060 5.269 214 3HB ALA 314 HB3 ALA 314 -16.483 20.213 3.618 215 H LEU 315 H LEU 315 -18.436 23.771 5.575 216 HA LEU 315 HA LEU 315 -20.887 22.820 4.469 217 1HB LEU 315 HB2 LEU 315 -20.057 25.481 5.710 218 2HB LEU 315 HB3 LEU 315 -21.682 25.164 5.165 219 HG LEU 315 HG LEU 315 -21.559 24.956 7.536 220 1HD1 LEU 315 HD11 LEU 315 -22.623 22.805 7.850 221 2HD1 LEU 315 HD12 LEU 315 -23.139 23.498 6.304 222 3HD1 LEU 315 HD13 LEU 315 -21.938 22.186 6.336 223 1HD2 LEU 315 HD21 LEU 315 -20.322 23.291 8.736 224 2HD2 LEU 315 HD22 LEU 315 -19.683 22.587 7.244 225 3HD2 LEU 315 HD23 LEU 315 -19.183 24.225 7.754 226 1H GLY 586 H1 GLY 586 -10.988 13.959 31.642 227 2H GLY 586 H2 GLY 586 -10.716 12.624 30.736 228 3H GLY 586 H3 GLY 586 -11.815 12.579 31.952 229 1HA GLY 586 HA2 GLY 586 -10.090 12.913 33.605 230 2HA GLY 586 HA3 GLY 586 -9.830 11.441 32.650 231 H VAL 587 H VAL 587 -7.768 12.692 34.039 232 HA VAL 587 HA VAL 587 -5.992 13.815 31.902 233 HB VAL 587 HB VAL 587 -5.783 14.773 34.752 234 1HG1 VAL 587 HG11 VAL 587 -4.824 16.755 33.726 235 2HG1 VAL 587 HG12 VAL 587 -4.017 15.361 33.010 236 3HG1 VAL 587 HG13 VAL 587 -5.282 16.213 32.104 237 1HG2 VAL 587 HG21 VAL 587 -7.157 16.769 34.185 238 2HG2 VAL 587 HG22 VAL 587 -7.685 15.962 32.692 239 3HG2 VAL 587 HG23 VAL 587 -8.111 15.295 34.291 240 H ARG 588 H ARG 588 -6.248 11.061 32.917 241 HA ARG 588 HA ARG 588 -4.539 10.347 34.991 242 1HB ARG 588 HB2 ARG 588 -5.149 8.612 32.571 243 2HB ARG 588 HB3 ARG 588 -4.644 8.077 34.178 244 1HG ARG 588 HG2 ARG 588 -6.803 9.307 35.024 245 2HG ARG 588 HG3 ARG 588 -7.315 9.231 33.331 246 1HD ARG 588 HD2 ARG 588 -6.636 6.920 35.185 247 2HD ARG 588 HD3 ARG 588 -8.229 7.344 34.539 248 HE ARG 588 HE ARG 588 -6.494 6.868 32.327 249 1HH1 ARG 588 HH11 ARG 588 -8.058 4.963 34.839 250 2HH1 ARG 588 HH12 ARG 588 -7.923 3.497 33.906 251 1HH2 ARG 588 HH21 ARG 588 -6.263 5.043 31.300 252 2HH2 ARG 588 HH22 ARG 588 -6.928 3.525 31.907 253 H LYS 589 H LYS 589 -3.434 11.029 31.740 254 HA LYS 589 HA LYS 589 -0.664 10.132 32.482 255 1HB LYS 589 HB2 LYS 589 -1.729 10.741 29.719 256 2HB LYS 589 HB3 LYS 589 -0.206 9.979 30.124 257 1HG LYS 589 HG2 LYS 589 -2.957 8.725 30.574 258 2HG LYS 589 HG3 LYS 589 -1.873 8.405 29.226 259 1HD LYS 589 HD2 LYS 589 -0.109 7.699 30.924 260 2HD LYS 589 HD3 LYS 589 -1.372 7.739 32.162 261 1HE LYS 589 HE2 LYS 589 -1.534 6.135 29.568 262 2HE LYS 589 HE3 LYS 589 -0.873 5.480 31.063 263 1HZ LYS 589 HZ1 LYS 589 -3.208 4.909 30.711 264 2HZ LYS 589 HZ2 LYS 589 -3.016 5.737 32.115 265 3HZ LYS 589 HZ3 LYS 589 -3.691 6.448 30.795 266 H GLY 590 H GLY 590 -2.297 12.902 32.744 267 1HA GLY 590 HA2 GLY 590 -1.551 15.007 33.244 268 2HA GLY 590 HA3 GLY 590 0.089 14.513 32.839 269 H TRP 591 H TRP 591 -0.140 13.930 30.147 270 HA TRP 591 HA TRP 591 0.083 16.496 28.947 271 1HB TRP 591 HB2 TRP 591 0.518 15.285 26.894 272 2HB TRP 591 HB3 TRP 591 1.336 14.538 28.255 273 HD1 TRP 591 HD1 TRP 591 0.878 12.086 28.789 274 HE1 TRP 591 HE1 TRP 591 -0.342 10.176 27.582 275 HE3 TRP 591 HE3 TRP 591 -1.783 14.848 25.381 276 HZ2 TRP 591 HZ2 TRP 591 -2.249 9.890 25.454 277 HZ3 TRP 591 HZ3 TRP 591 -3.289 13.705 23.775 278 HH2 TRP 591 HH2 TRP 591 -3.518 11.244 23.786 279 H HIS 592 H HIS 592 -2.802 14.883 29.540 280 HA HIS 592 HA HIS 592 -4.272 15.094 27.162 281 1HB HIS 592 HB2 HIS 592 -5.189 15.233 30.053 282 2HB HIS 592 HB3 HIS 592 -6.246 14.972 28.682 283 HD1 HIS 592 HD1 HIS 592 -6.940 12.701 29.938 284 HD2 HIS 592 HD2 HIS 592 -2.962 12.907 28.546 285 HE1 HIS 592 HE1 HIS 592 -6.028 10.310 29.978 286 H GLU 593 H GLU 593 -3.525 17.678 29.468 287 HA GLU 593 HA GLU 593 -5.521 19.558 28.769 288 1HB GLU 593 HB2 GLU 593 -4.075 21.191 29.750 289 2HB GLU 593 HB3 GLU 593 -4.032 19.730 30.725 290 1HG GLU 593 HG2 GLU 593 -1.835 19.125 29.779 291 2HG GLU 593 HG3 GLU 593 -1.891 20.514 28.694 292 H HIS 594 H HIS 594 -2.811 18.493 26.850 293 HA HIS 594 HA HIS 594 -2.823 20.857 25.096 294 1HB HIS 594 HB2 HIS 594 -1.336 18.218 24.869 295 2HB HIS 594 HB3 HIS 594 -1.034 19.678 23.923 296 HD1 HIS 594 HD1 HIS 594 -0.465 21.937 25.763 297 HD2 HIS 594 HD2 HIS 594 0.316 17.949 26.844 298 HE1 HIS 594 HE1 HIS 594 1.206 22.034 27.685 299 H VAL 595 H VAL 595 -4.996 18.417 25.360 300 HA VAL 595 HA VAL 595 -5.700 18.439 22.452 301 HB VAL 595 HB VAL 595 -5.643 16.020 24.307 302 1HG1 VAL 595 HG11 VAL 595 -6.763 16.233 21.477 303 2HG1 VAL 595 HG12 VAL 595 -6.385 14.710 22.292 304 3HG1 VAL 595 HG13 VAL 595 -7.630 15.755 22.958 305 1HG2 VAL 595 HG21 VAL 595 -4.177 15.136 22.411 306 2HG2 VAL 595 HG22 VAL 595 -4.160 16.777 21.760 307 3HG2 VAL 595 HG23 VAL 595 -3.466 16.444 23.367 308 H THR 596 H THR 596 -7.914 18.006 21.994 309 HA THR 596 HA THR 596 -9.917 18.370 24.137 310 HB THR 596 HB THR 596 -9.524 20.639 23.440 311 HG1 THR 596 HG1 THR 596 -11.573 21.137 22.795 312 1HG2 THR 596 HG21 THR 596 -10.034 19.729 20.576 313 2HG2 THR 596 HG22 THR 596 -9.917 21.414 21.119 314 3HG2 THR 596 HG23 THR 596 -8.505 20.359 21.225 315 H GLN 597 H GLN 597 -12.096 17.822 23.391 316 HA GLN 597 HA GLN 597 -12.228 15.397 21.886 317 1HB GLN 597 HB2 GLN 597 -13.809 16.104 23.664 318 2HB GLN 597 HB3 GLN 597 -14.450 17.354 22.582 319 1HG GLN 597 HG2 GLN 597 -15.245 15.625 21.014 320 2HG GLN 597 HG3 GLN 597 -14.452 14.367 21.965 321 1HE2 GLN 597 HE22 GLN 597 -16.562 13.287 22.133 322 2HE2 GLN 597 HE21 GLN 597 -17.745 13.899 23.281 323 H ASP 598 H ASP 598 -12.563 18.779 20.868 324 HA ASP 598 HA ASP 598 -13.684 18.328 18.288 325 1HB ASP 598 HB2 ASP 598 -13.431 20.502 19.587 326 2HB ASP 598 HB3 ASP 598 -11.741 20.527 19.086 327 H LEU 599 H LEU 599 -10.271 18.286 19.368 328 HA LEU 599 HA LEU 599 -9.098 17.856 16.757 329 1HB LEU 599 HB2 LEU 599 -7.805 18.751 18.637 330 2HB LEU 599 HB3 LEU 599 -8.079 17.273 19.574 331 HG LEU 599 HG LEU 599 -6.694 15.965 18.098 332 1HD1 LEU 599 HD11 LEU 599 -5.420 16.956 16.223 333 2HD1 LEU 599 HD12 LEU 599 -7.147 16.964 15.905 334 3HD1 LEU 599 HD13 LEU 599 -6.330 18.470 16.401 335 1HD2 LEU 599 HD21 LEU 599 -5.565 17.320 19.852 336 2HD2 LEU 599 HD22 LEU 599 -4.528 17.042 18.446 337 3HD2 LEU 599 HD23 LEU 599 -5.311 18.620 18.671 338 H ARG 600 H ARG 600 -9.883 15.620 19.489 339 HA ARG 600 HA ARG 600 -9.125 13.208 18.209 340 1HB ARG 600 HB2 ARG 600 -11.316 13.720 20.246 341 2HB ARG 600 HB3 ARG 600 -10.588 12.142 19.909 342 1HG ARG 600 HG2 ARG 600 -8.464 12.781 20.798 343 2HG ARG 600 HG3 ARG 600 -8.838 14.498 20.740 344 1HD ARG 600 HD2 ARG 600 -9.203 14.257 22.854 345 2HD ARG 600 HD3 ARG 600 -10.829 13.852 22.361 346 HE ARG 600 HE ARG 600 -9.412 11.407 22.307 347 1HH1 ARG 600 HH21 ARG 600 -10.492 13.548 24.876 348 2HH1 ARG 600 HH22 ARG 600 -10.804 12.196 25.930 349 1HH2 ARG 600 HH12 ARG 600 -9.768 9.891 23.548 350 2HH2 ARG 600 HH11 ARG 600 -10.346 10.088 25.212 351 H SER 601 H SER 601 -12.292 14.802 18.202 352 HA SER 601 HA SER 601 -13.795 12.925 16.703 353 1HB SER 601 HB2 SER 601 -13.902 15.965 16.519 354 2HB SER 601 HB3 SER 601 -15.154 14.846 15.942 355 HG SER 601 HG SER 601 -14.311 15.306 18.616 356 H HIS 602 H HIS 602 -11.804 15.638 15.432 357 HA HIS 602 HA HIS 602 -12.221 14.948 12.657 358 1HB HIS 602 HB2 HIS 602 -11.734 17.209 13.550 359 2HB HIS 602 HB3 HIS 602 -10.126 16.676 14.012 360 HD1 HIS 602 HD1 HIS 602 -12.065 18.024 11.088 361 HD2 HIS 602 HD2 HIS 602 -8.488 15.933 11.789 362 HE1 HIS 602 HE1 HIS 602 -10.682 18.240 8.954 363 H LEU 603 H LEU 603 -9.601 14.163 15.008 364 HA LEU 603 HA LEU 603 -7.919 12.760 13.150 365 1HB LEU 603 HB2 LEU 603 -8.326 12.559 16.153 366 2HB LEU 603 HB3 LEU 603 -7.215 11.493 15.305 367 HG LEU 603 HG LEU 603 -6.988 14.527 15.319 368 1HD1 LEU 603 HD11 LEU 603 -6.555 13.535 17.533 369 2HD1 LEU 603 HD12 LEU 603 -5.418 12.367 16.814 370 3HD1 LEU 603 HD13 LEU 603 -5.047 14.105 16.803 371 1HD2 LEU 603 HD21 LEU 603 -4.786 14.167 14.382 372 2HD2 LEU 603 HD22 LEU 603 -5.022 12.400 14.366 373 3HD2 LEU 603 HD23 LEU 603 -5.960 13.455 13.294 374 H VAL 604 H VAL 604 -10.606 11.501 15.210 375 HA VAL 604 HA VAL 604 -10.516 8.809 14.264 376 HB VAL 604 HB VAL 604 -12.756 10.568 15.300 377 1HG1 VAL 604 HG11 VAL 604 -14.211 8.620 15.447 378 2HG1 VAL 604 HG12 VAL 604 -13.881 8.991 13.769 379 3HG1 VAL 604 HG13 VAL 604 -13.037 7.629 14.548 380 1HG2 VAL 604 HG21 VAL 604 -12.621 9.078 17.234 381 2HG2 VAL 604 HG22 VAL 604 -11.425 8.054 16.407 382 3HG2 VAL 604 HG23 VAL 604 -11.012 9.714 16.876 383 H HIS 605 H HIS 605 -12.360 11.608 12.919 384 HA HIS 605 HA HIS 605 -13.415 10.278 10.680 385 1HB HIS 605 HB2 HIS 605 -14.381 12.280 10.620 386 2HB HIS 605 HB3 HIS 605 -13.147 13.005 11.626 387 HD1 HIS 605 HD1 HIS 605 -11.068 14.209 10.329 388 HD2 HIS 605 HD2 HIS 605 -14.257 12.786 7.986 389 HE1 HIS 605 HE1 HIS 605 -10.809 15.302 8.033 390 H LYS 606 H LYS 606 -10.254 11.874 10.929 391 HA LYS 606 HA LYS 606 -9.498 11.396 8.177 392 1HB LYS 606 HB2 LYS 606 -8.760 13.310 9.514 393 2HB LYS 606 HB3 LYS 606 -7.870 12.241 10.608 394 1HG LYS 606 HG2 LYS 606 -6.331 11.603 8.850 395 2HG LYS 606 HG3 LYS 606 -7.312 12.422 7.610 396 1HD LYS 606 HD2 LYS 606 -6.845 14.600 8.587 397 2HD LYS 606 HD3 LYS 606 -6.045 13.846 9.982 398 1HE LYS 606 HE2 LYS 606 -4.313 12.902 8.512 399 2HE LYS 606 HE3 LYS 606 -5.085 13.619 7.087 400 1HZ LYS 606 HZ1 LYS 606 -4.168 15.217 9.400 401 2HZ LYS 606 HZ2 LYS 606 -3.180 14.884 8.157 402 3HZ LYS 606 HZ3 LYS 606 -4.547 15.788 7.897 403 H LEU 607 H LEU 607 -8.623 9.792 11.206 404 HA LEU 607 HA LEU 607 -6.880 7.774 10.215 405 1HB LEU 607 HB2 LEU 607 -7.281 8.438 12.567 406 2HB LEU 607 HB3 LEU 607 -8.884 7.754 12.522 407 HG LEU 607 HG LEU 607 -6.861 5.739 11.825 408 1HD1 LEU 607 HD11 LEU 607 -5.780 5.615 14.080 409 2HD1 LEU 607 HD12 LEU 607 -5.355 7.113 13.237 410 3HD1 LEU 607 HD13 LEU 607 -6.563 7.142 14.522 411 1HD2 LEU 607 HD21 LEU 607 -7.906 4.498 13.617 412 2HD2 LEU 607 HD22 LEU 607 -8.714 5.964 14.224 413 3HD2 LEU 607 HD23 LEU 607 -9.169 5.283 12.647 414 H VAL 608 H VAL 608 -10.462 7.803 10.612 415 HA VAL 608 HA VAL 608 -10.987 5.337 9.304 416 HB VAL 608 HB VAL 608 -12.664 7.803 9.792 417 1HG1 VAL 608 HG11 VAL 608 -14.637 6.390 9.213 418 2HG1 VAL 608 HG12 VAL 608 -13.650 6.803 7.811 419 3HG1 VAL 608 HG13 VAL 608 -13.518 5.181 8.540 420 1HG2 VAL 608 HG21 VAL 608 -12.817 4.962 10.903 421 2HG2 VAL 608 HG22 VAL 608 -11.962 6.286 11.709 422 3HG2 VAL 608 HG23 VAL 608 -13.705 6.400 11.462 423 H GLN 609 H GLN 609 -10.601 8.606 7.761 424 HA GLN 609 HA GLN 609 -11.401 7.747 5.161 425 1HB GLN 609 HB2 GLN 609 -9.249 9.822 5.771 426 2HB GLN 609 HB3 GLN 609 -10.060 9.569 4.238 427 1HG GLN 609 HG2 GLN 609 -11.125 10.870 6.717 428 2HG GLN 609 HG3 GLN 609 -11.088 11.459 5.081 429 1HE2 GLN 609 HE22 GLN 609 -12.985 9.818 7.435 430 2HE2 GLN 609 HE21 GLN 609 -14.351 9.447 6.370 431 H ALA 610 H ALA 610 -8.178 7.490 6.707 432 HA ALA 610 HA ALA 610 -6.876 6.355 4.368 433 1HB ALA 610 HB1 ALA 610 -5.593 7.458 6.118 434 2HB ALA 610 HB2 ALA 610 -6.249 6.335 7.331 435 3HB ALA 610 HB3 ALA 610 -5.144 5.731 6.082 436 H ILE 611 H ILE 611 -8.512 4.962 7.224 437 HA ILE 611 HA ILE 611 -7.865 2.221 6.697 438 HB ILE 611 HB ILE 611 -10.076 3.527 8.314 439 1HG1 ILE 611 HG12 ILE 611 -7.550 2.080 9.222 440 2HG1 ILE 611 HG13 ILE 611 -7.582 3.788 8.949 441 1HG2 ILE 611 HG21 ILE 611 -9.386 0.572 8.037 442 2HG2 ILE 611 HG22 ILE 611 -10.275 1.219 9.415 443 3HG2 ILE 611 HG23 ILE 611 -10.954 1.355 7.794 444 1HD1 ILE 611 HD11 ILE 611 -9.212 2.322 11.050 445 2HD1 ILE 611 HD12 ILE 611 -7.849 3.429 11.289 446 3HD1 ILE 611 HD13 ILE 611 -9.383 4.051 10.660 447 H PHE 612 H PHE 612 -10.816 4.142 5.790 448 HA PHE 612 HA PHE 612 -10.965 2.440 3.388 449 1HB PHE 612 HB2 PHE 612 -12.437 1.320 4.913 450 2HB PHE 612 HB3 PHE 612 -13.233 2.823 5.334 451 HD1 PHE 612 HD1 PHE 612 -15.433 1.996 4.832 452 HD2 PHE 612 HD2 PHE 612 -12.385 1.964 1.777 453 HE1 PHE 612 HE1 PHE 612 -17.158 1.617 3.091 454 HE2 PHE 612 HE2 PHE 612 -14.118 1.642 0.044 455 HZ PHE 612 HZ PHE 612 -16.491 1.402 0.712 456 HA PRO 613 HA PRO 613 -11.278 6.784 2.052 457 1HB PRO 613 HB2 PRO 613 -11.231 5.378 -0.617 458 2HB PRO 613 HB3 PRO 613 -10.357 6.855 -0.104 459 1HG PRO 613 HG2 PRO 613 -9.054 4.491 -0.198 460 2HG PRO 613 HG3 PRO 613 -8.822 5.572 1.219 461 1HD PRO 613 HD2 PRO 613 -10.643 3.168 0.963 462 2HD PRO 613 HD3 PRO 613 -9.520 3.577 2.290 463 H THR 614 H THR 614 -13.624 4.385 1.663 464 HA THR 614 HA THR 614 -15.764 4.231 1.179 465 HB THR 614 HB THR 614 -17.304 6.086 1.247 466 HG1 THR 614 HG1 THR 614 -14.991 7.587 0.933 467 1HG2 THR 614 HG21 THR 614 -16.986 6.651 3.482 468 2HG2 THR 614 HG22 THR 614 -16.224 5.072 3.298 469 3HG2 THR 614 HG23 THR 614 -15.208 6.530 3.374 470 HA PRO 615 HA PRO 615 -16.228 4.199 -3.167 471 1HB PRO 615 HB2 PRO 615 -18.808 3.459 -3.548 472 2HB PRO 615 HB3 PRO 615 -17.650 2.396 -2.687 473 1HG PRO 615 HG2 PRO 615 -19.671 4.263 -1.448 474 2HG PRO 615 HG3 PRO 615 -19.376 2.535 -1.075 475 1HD PRO 615 HD2 PRO 615 -18.244 4.546 0.373 476 2HD PRO 615 HD3 PRO 615 -17.415 3.022 0.073 477 H ASP 616 H ASP 616 -18.374 6.259 -1.314 478 HA ASP 616 HA ASP 616 -18.411 8.418 -3.264 479 1HB ASP 616 HB2 ASP 616 -20.761 8.443 -3.721 480 2HB ASP 616 HB3 ASP 616 -20.212 6.824 -4.051 481 HA PRO 617 HA PRO 617 -18.700 10.641 0.496 482 1HB PRO 617 HB2 PRO 617 -19.831 13.058 -0.123 483 2HB PRO 617 HB3 PRO 617 -18.244 12.525 -0.756 484 1HG PRO 617 HG2 PRO 617 -20.950 12.312 -2.117 485 2HG PRO 617 HG3 PRO 617 -19.430 12.992 -2.785 486 1HD PRO 617 HD2 PRO 617 -20.192 10.449 -3.300 487 2HD PRO 617 HD3 PRO 617 -18.469 10.844 -3.028 488 H ALA 618 H ALA 618 -21.703 9.504 -0.716 489 HA ALA 618 HA ALA 618 -23.198 10.474 1.671 490 1HB ALA 618 HB1 ALA 618 -24.343 10.606 -0.509 491 2HB ALA 618 HB2 ALA 618 -24.179 8.846 -0.703 492 3HB ALA 618 HB3 ALA 618 -25.154 9.505 0.621 493 H ALA 619 H ALA 619 -21.654 7.518 0.330 494 HA ALA 619 HA ALA 619 -22.522 5.652 2.246 495 1HB ALA 619 HB1 ALA 619 -19.724 5.953 1.086 496 2HB ALA 619 HB2 ALA 619 -20.392 4.482 1.805 497 3HB ALA 619 HB3 ALA 619 -21.080 5.115 0.302 498 H LEU 620 H LEU 620 -20.089 8.234 2.706 499 HA LEU 620 HA LEU 620 -19.134 7.628 5.285 500 1HB LEU 620 HB2 LEU 620 -19.735 10.237 3.845 501 2HB LEU 620 HB3 LEU 620 -19.032 10.225 5.445 502 HG LEU 620 HG LEU 620 -17.718 8.849 3.079 503 1HD1 LEU 620 HD11 LEU 620 -16.226 10.811 3.003 504 2HD1 LEU 620 HD12 LEU 620 -17.904 11.276 2.670 505 3HD1 LEU 620 HD13 LEU 620 -17.194 11.611 4.263 506 1HD2 LEU 620 HD21 LEU 620 -16.981 8.070 5.356 507 2HD2 LEU 620 HD22 LEU 620 -15.708 8.950 4.502 508 3HD2 LEU 620 HD23 LEU 620 -16.631 9.753 5.797 509 H LYS 621 H LYS 621 -22.270 8.930 4.364 510 HA LYS 621 HA LYS 621 -22.866 9.990 7.039 511 1HB LYS 621 HB2 LYS 621 -24.576 9.877 4.519 512 2HB LYS 621 HB3 LYS 621 -24.928 10.792 5.984 513 1HG LYS 621 HG2 LYS 621 -22.887 12.164 5.646 514 2HG LYS 621 HG3 LYS 621 -22.497 11.243 4.191 515 1HD LYS 621 HD2 LYS 621 -23.481 13.308 3.514 516 2HD LYS 621 HD3 LYS 621 -24.611 12.002 3.129 517 1HE LYS 621 HE2 LYS 621 -25.942 12.541 5.147 518 2HE LYS 621 HE3 LYS 621 -24.775 13.789 5.602 519 1HZ LYS 621 HZ1 LYS 621 -26.693 14.741 4.454 520 2HZ LYS 621 HZ2 LYS 621 -25.353 14.981 3.556 521 3HZ LYS 621 HZ3 LYS 621 -26.429 13.826 3.131 522 H ASP 622 H ASP 622 -23.296 6.920 5.609 523 HA ASP 622 HA ASP 622 -25.775 6.373 7.168 524 1HB ASP 622 HB2 ASP 622 -25.737 5.956 4.725 525 2HB ASP 622 HB3 ASP 622 -24.465 4.755 4.963 526 H ARG 623 H ARG 623 -26.070 4.319 8.207 527 HA ARG 623 HA ARG 623 -24.310 3.916 10.347 528 1HB ARG 623 HB2 ARG 623 -26.858 3.260 9.829 529 2HB ARG 623 HB3 ARG 623 -26.159 1.687 9.493 530 1HG ARG 623 HG2 ARG 623 -25.949 3.270 12.102 531 2HG ARG 623 HG3 ARG 623 -27.043 1.927 11.781 532 1HD ARG 623 HD2 ARG 623 -24.960 0.472 11.403 533 2HD ARG 623 HD3 ARG 623 -24.022 1.829 12.034 534 HE ARG 623 HE ARG 623 -24.748 1.413 14.172 535 1HH1 ARG 623 HH22 ARG 623 -26.684 -0.616 12.061 536 2HH1 ARG 623 HH21 ARG 623 -27.251 -1.595 13.387 537 1HH2 ARG 623 HH11 ARG 623 -25.538 0.147 15.803 538 2HH2 ARG 623 HH12 ARG 623 -26.637 -1.154 15.446 539 H ARG 624 H ARG 624 -24.349 2.190 7.273 540 HA ARG 624 HA ARG 624 -22.595 0.052 7.804 541 1HB ARG 624 HB2 ARG 624 -22.238 -0.105 5.476 542 2HB ARG 624 HB3 ARG 624 -23.885 0.472 5.695 543 1HG ARG 624 HG2 ARG 624 -22.945 2.855 5.268 544 2HG ARG 624 HG3 ARG 624 -21.435 2.059 4.806 545 1HD ARG 624 HD2 ARG 624 -22.592 2.446 2.779 546 2HD ARG 624 HD3 ARG 624 -22.775 0.712 3.111 547 HE ARG 624 HE ARG 624 -24.973 2.273 4.210 548 1HH1 ARG 624 HH11 ARG 624 -23.976 0.901 1.127 549 2HH1 ARG 624 HH12 ARG 624 -25.619 0.909 0.541 550 1HH2 ARG 624 HH21 ARG 624 -26.864 2.272 3.475 551 2HH2 ARG 624 HH22 ARG 624 -27.281 1.675 1.865 552 H MET 625 H MET 625 -21.755 3.448 7.463 553 HA MET 625 HA MET 625 -18.852 2.830 7.644 554 1HB MET 625 HB2 MET 625 -19.855 4.517 5.992 555 2HB MET 625 HB3 MET 625 -20.157 5.561 7.390 556 1HG MET 625 HG2 MET 625 -18.062 6.230 6.472 557 2HG MET 625 HG3 MET 625 -17.659 5.321 7.922 558 1HE MET 625 HE1 MET 625 -15.208 4.975 7.210 559 2HE MET 625 HE2 MET 625 -14.641 4.503 5.600 560 3HE MET 625 HE3 MET 625 -15.511 6.039 5.822 561 H GLU 626 H GLU 626 -21.473 4.460 9.537 562 HA GLU 626 HA GLU 626 -19.900 5.283 11.679 563 1HB GLU 626 HB2 GLU 626 -22.310 5.825 11.336 564 2HB GLU 626 HB3 GLU 626 -22.708 4.214 11.931 565 1HG GLU 626 HG2 GLU 626 -22.977 5.884 13.691 566 2HG GLU 626 HG3 GLU 626 -21.744 4.715 14.123 567 H ASN 627 H ASN 627 -20.965 1.982 10.973 568 HA ASN 627 HA ASN 627 -20.195 0.704 13.402 569 1HB ASN 627 HB2 ASN 627 -20.141 -0.208 10.493 570 2HB ASN 627 HB3 ASN 627 -19.749 -1.279 11.831 571 1HD2 ASN 627 HD22 ASN 627 -21.935 -1.576 9.929 572 2HD2 ASN 627 HD21 ASN 627 -23.381 -1.617 10.926 573 H LEU 628 H LEU 628 -18.144 1.633 10.624 574 HA LEU 628 HA LEU 628 -15.667 0.582 11.786 575 1HB LEU 628 HB2 LEU 628 -15.781 0.622 9.416 576 2HB LEU 628 HB3 LEU 628 -16.466 2.232 9.371 577 HG LEU 628 HG LEU 628 -14.367 3.271 9.912 578 1HD1 LEU 628 HD11 LEU 628 -13.314 1.462 11.318 579 2HD1 LEU 628 HD12 LEU 628 -13.043 0.533 9.830 580 3HD1 LEU 628 HD13 LEU 628 -12.271 2.117 10.066 581 1HD2 LEU 628 HD21 LEU 628 -13.988 1.173 7.733 582 2HD2 LEU 628 HD22 LEU 628 -14.933 2.656 7.554 583 3HD2 LEU 628 HD23 LEU 628 -13.186 2.755 7.847 584 H VAL 629 H VAL 629 -17.144 3.801 11.406 585 HA VAL 629 HA VAL 629 -15.179 5.337 12.758 586 HB VAL 629 HB VAL 629 -18.170 5.691 12.600 587 1HG1 VAL 629 HG11 VAL 629 -16.109 7.746 13.440 588 2HG1 VAL 629 HG12 VAL 629 -17.819 8.075 13.041 589 3HG1 VAL 629 HG13 VAL 629 -17.428 7.061 14.428 590 1HG2 VAL 629 HG21 VAL 629 -15.969 7.104 11.037 591 2HG2 VAL 629 HG22 VAL 629 -16.906 5.741 10.398 592 3HG2 VAL 629 HG23 VAL 629 -17.719 7.256 10.793 593 H ALA 630 H ALA 630 -17.930 3.543 14.237 594 HA ALA 630 HA ALA 630 -17.438 4.325 16.925 595 1HB ALA 630 HB1 ALA 630 -18.848 2.366 17.467 596 2HB ALA 630 HB2 ALA 630 -19.541 3.329 16.149 597 3HB ALA 630 HB3 ALA 630 -18.711 1.797 15.788 598 H TYR 631 H TYR 631 -16.131 1.560 15.046 599 HA TYR 631 HA TYR 631 -14.556 0.523 17.236 600 1HB TYR 631 HB2 TYR 631 -14.492 -1.174 15.858 601 2HB TYR 631 HB3 TYR 631 -15.234 -0.251 14.607 602 HD1 TYR 631 HD1 TYR 631 -14.310 -0.908 12.646 603 HD2 TYR 631 HD2 TYR 631 -11.648 -0.326 15.985 604 HE1 TYR 631 HE1 TYR 631 -12.366 -1.346 11.189 605 HE2 TYR 631 HE2 TYR 631 -9.723 -0.595 14.490 606 HH TYR 631 HH TYR 631 -9.025 -1.156 12.391 607 H ALA 632 H ALA 632 -13.785 2.848 14.586 608 HA ALA 632 HA ALA 632 -11.119 3.372 15.435 609 1HB ALA 632 HB1 ALA 632 -12.003 4.034 13.253 610 2HB ALA 632 HB2 ALA 632 -13.105 5.197 14.026 611 3HB ALA 632 HB3 ALA 632 -11.350 5.438 14.123 612 H LYS 633 H LYS 633 -14.202 4.885 16.562 613 HA LYS 633 HA LYS 633 -13.018 6.739 18.426 614 1HB LYS 633 HB2 LYS 633 -15.702 5.299 18.409 615 2HB LYS 633 HB3 LYS 633 -15.261 6.482 19.636 616 1HG LYS 633 HG2 LYS 633 -15.083 8.255 18.032 617 2HG LYS 633 HG3 LYS 633 -15.221 7.134 16.676 618 1HD LYS 633 HD2 LYS 633 -17.511 6.530 17.303 619 2HD LYS 633 HD3 LYS 633 -17.444 7.615 18.704 620 1HE LYS 633 HE2 LYS 633 -17.291 9.559 17.288 621 2HE LYS 633 HE3 LYS 633 -17.008 8.582 15.847 622 1HZ LYS 633 HZ1 LYS 633 -19.547 8.521 17.393 623 2HZ LYS 633 HZ2 LYS 633 -19.327 9.392 16.036 624 3HZ LYS 633 HZ3 LYS 633 -19.294 7.770 15.957 625 H LYS 634 H LYS 634 -14.084 3.356 18.925 626 HA LYS 634 HA LYS 634 -13.287 3.116 21.656 627 1HB LYS 634 HB2 LYS 634 -14.774 1.541 20.509 628 2HB LYS 634 HB3 LYS 634 -13.452 1.012 19.461 629 1HG LYS 634 HG2 LYS 634 -12.243 0.076 21.373 630 2HG LYS 634 HG3 LYS 634 -13.430 0.747 22.498 631 1HD LYS 634 HD2 LYS 634 -13.720 -1.666 22.146 632 2HD LYS 634 HD3 LYS 634 -15.157 -0.754 21.663 633 1HE LYS 634 HE2 LYS 634 -14.652 -1.005 19.321 634 2HE LYS 634 HE3 LYS 634 -13.021 -1.604 19.668 635 1HZ LYS 634 HZ1 LYS 634 -14.599 -3.401 19.109 636 2HZ LYS 634 HZ2 LYS 634 -13.939 -3.590 20.586 637 3HZ LYS 634 HZ3 LYS 634 -15.489 -3.064 20.439 638 H VAL 635 H VAL 635 -11.388 2.410 18.691 639 HA VAL 635 HA VAL 635 -8.956 1.728 20.074 640 HB VAL 635 HB VAL 635 -9.453 2.723 17.249 641 1HG1 VAL 635 HG11 VAL 635 -7.134 3.325 17.783 642 2HG1 VAL 635 HG12 VAL 635 -6.846 1.710 18.476 643 3HG1 VAL 635 HG13 VAL 635 -7.149 1.907 16.735 644 1HG2 VAL 635 HG21 VAL 635 -8.686 -0.015 18.374 645 2HG2 VAL 635 HG22 VAL 635 -10.308 0.439 17.838 646 3HG2 VAL 635 HG23 VAL 635 -8.985 0.374 16.668 647 H GLU 636 H GLU 636 -10.016 4.924 18.706 648 HA GLU 636 HA GLU 636 -7.775 6.432 19.446 649 1HB GLU 636 HB2 GLU 636 -9.599 7.287 18.064 650 2HB GLU 636 HB3 GLU 636 -10.715 7.237 19.410 651 1HG GLU 636 HG2 GLU 636 -8.176 8.878 19.629 652 2HG GLU 636 HG3 GLU 636 -9.520 9.485 18.681 653 H GLY 637 H GLY 637 -10.697 5.867 21.465 654 1HA GLY 637 HA2 GLY 637 -9.794 7.178 23.805 655 2HA GLY 637 HA3 GLY 637 -11.035 5.922 23.725 656 H ASP 638 H ASP 638 -8.590 4.195 22.556 657 HA ASP 638 HA ASP 638 -7.630 3.275 25.236 658 1HB ASP 638 HB2 ASP 638 -8.950 1.702 23.825 659 2HB ASP 638 HB3 ASP 638 -7.715 1.817 22.571 660 H MET 639 H MET 639 -6.503 4.218 21.961 661 HA MET 639 HA MET 639 -3.664 3.945 22.496 662 1HB MET 639 HB2 MET 639 -5.147 5.791 20.572 663 2HB MET 639 HB3 MET 639 -3.409 5.498 20.574 664 1HG MET 639 HG2 MET 639 -5.571 3.453 19.960 665 2HG MET 639 HG3 MET 639 -4.524 4.243 18.806 666 1HE MET 639 HE1 MET 639 -4.421 1.802 22.059 667 2HE MET 639 HE2 MET 639 -5.283 1.153 20.646 668 3HE MET 639 HE3 MET 639 -3.748 0.427 21.167 669 H TYR 640 H TYR 640 -6.014 6.571 22.914 670 HA TYR 640 HA TYR 640 -4.329 8.634 23.891 671 1HB TYR 640 HB2 TYR 640 -6.631 8.765 23.018 672 2HB TYR 640 HB3 TYR 640 -7.238 7.946 24.448 673 HD1 TYR 640 HD1 TYR 640 -5.899 11.077 23.035 674 HD2 TYR 640 HD2 TYR 640 -7.446 9.179 26.588 675 HE1 TYR 640 HE1 TYR 640 -6.265 13.312 24.078 676 HE2 TYR 640 HE2 TYR 640 -7.852 11.415 27.603 677 HH TYR 640 HH TYR 640 -7.745 13.688 27.306 678 H GLU 641 H GLU 641 -5.510 5.746 25.525 679 HA GLU 641 HA GLU 641 -4.505 6.718 28.155 680 1HB GLU 641 HB2 GLU 641 -6.520 4.636 27.270 681 2HB GLU 641 HB3 GLU 641 -5.795 4.533 28.860 682 1HG GLU 641 HG2 GLU 641 -7.281 6.969 27.798 683 2HG GLU 641 HG3 GLU 641 -7.965 5.737 28.857 684 H SER 642 H SER 642 -3.091 5.374 25.633 685 HA SER 642 HA SER 642 -1.464 3.411 27.223 686 1HB SER 642 HB2 SER 642 -2.045 3.480 24.242 687 2HB SER 642 HB3 SER 642 -0.976 2.326 25.060 688 HG SER 642 HG SER 642 -3.780 2.630 25.298 689 H ALA 643 H ALA 643 -1.152 6.500 26.548 690 HA ALA 643 HA ALA 643 1.678 6.373 25.580 691 1HB ALA 643 HB1 ALA 643 1.165 8.437 24.347 692 2HB ALA 643 HB2 ALA 643 0.088 7.127 23.840 693 3HB ALA 643 HB3 ALA 643 -0.506 8.393 24.929 694 H ASN 644 H ASN 644 3.166 7.665 26.512 695 HA ASN 644 HA ASN 644 2.482 9.141 28.970 696 1HB ASN 644 HB2 ASN 644 4.681 8.999 29.535 697 2HB ASN 644 HB3 ASN 644 4.561 7.571 28.521 698 1HD2 ASN 644 HD22 ASN 644 5.292 7.926 26.140 699 2HD2 ASN 644 HD21 ASN 644 6.633 9.055 25.929 700 H SER 645 H SER 645 2.611 9.979 25.678 701 HA SER 645 HA SER 645 2.413 12.839 26.316 702 1HB SER 645 HB2 SER 645 4.127 13.554 24.795 703 2HB SER 645 HB3 SER 645 4.860 12.406 25.924 704 HG SER 645 HG SER 645 5.511 11.889 23.846 705 H ARG 646 H ARG 646 1.689 14.122 24.478 706 HA ARG 646 HA ARG 646 -0.384 12.979 22.880 707 1HB ARG 646 HB2 ARG 646 -0.098 15.396 23.579 708 2HB ARG 646 HB3 ARG 646 1.184 15.541 22.368 709 1HG ARG 646 HG2 ARG 646 -0.480 14.958 20.580 710 2HG ARG 646 HG3 ARG 646 -1.719 14.785 21.827 711 1HD ARG 646 HD2 ARG 646 -2.058 16.933 20.938 712 2HD ARG 646 HD3 ARG 646 -1.241 17.223 22.473 713 HE ARG 646 HE ARG 646 -0.217 17.628 19.711 714 1HH1 ARG 646 HH12 ARG 646 0.701 17.890 23.108 715 2HH1 ARG 646 HH11 ARG 646 2.024 18.948 22.702 716 1HH2 ARG 646 HH21 ARG 646 1.319 18.864 19.316 717 2HH2 ARG 646 HH22 ARG 646 2.410 19.499 20.553 718 H ASP 647 H ASP 647 3.000 13.679 22.124 719 HA ASP 647 HA ASP 647 2.979 12.978 19.351 720 1HB ASP 647 HB2 ASP 647 4.754 14.270 20.473 721 2HB ASP 647 HB3 ASP 647 5.212 12.851 21.416 722 H GLU 648 H GLU 648 3.617 10.938 22.280 723 HA GLU 648 HA GLU 648 4.027 8.526 20.736 724 1HB GLU 648 HB2 GLU 648 4.921 8.794 22.978 725 2HB GLU 648 HB3 GLU 648 3.297 8.901 23.662 726 1HG GLU 648 HG2 GLU 648 2.818 6.594 23.033 727 2HG GLU 648 HG3 GLU 648 4.297 6.500 22.068 728 H TYR 649 H TYR 649 1.090 9.977 22.222 729 HA TYR 649 HA TYR 649 -0.743 7.890 21.552 730 1HB TYR 649 HB2 TYR 649 -1.639 9.434 22.964 731 2HB TYR 649 HB3 TYR 649 -0.872 10.799 22.188 732 HD1 TYR 649 HD1 TYR 649 -3.626 8.306 21.664 733 HD2 TYR 649 HD2 TYR 649 -2.053 12.208 20.738 734 HE1 TYR 649 HE1 TYR 649 -5.812 8.946 20.634 735 HE2 TYR 649 HE2 TYR 649 -4.184 12.819 19.649 736 HH TYR 649 HH TYR 649 -6.334 12.178 19.185 737 H TYR 650 H TYR 650 0.066 10.835 19.605 738 HA TYR 650 HA TYR 650 -1.164 10.090 17.183 739 1HB TYR 650 HB2 TYR 650 1.238 11.747 17.974 740 2HB TYR 650 HB3 TYR 650 1.139 11.258 16.299 741 HD1 TYR 650 HD1 TYR 650 -1.259 11.487 15.204 742 HD2 TYR 650 HD2 TYR 650 0.281 13.865 18.444 743 HE1 TYR 650 HE1 TYR 650 -2.769 13.345 14.548 744 HE2 TYR 650 HE2 TYR 650 -1.230 15.745 17.788 745 HH TYR 650 HH TYR 650 -2.811 16.473 16.314 746 H HIS 651 H HIS 651 2.184 9.153 18.199 747 HA HIS 651 HA HIS 651 2.732 7.558 15.903 748 1HB HIS 651 HB2 HIS 651 4.497 8.209 17.394 749 2HB HIS 651 HB3 HIS 651 3.733 7.397 18.758 750 HD1 HIS 651 HD1 HIS 651 5.383 6.329 15.357 751 HD2 HIS 651 HD2 HIS 651 4.415 4.945 19.234 752 HE1 HIS 651 HE1 HIS 651 6.408 4.022 15.577 753 H LEU 652 H LEU 652 1.105 6.607 18.977 754 HA LEU 652 HA LEU 652 0.755 3.859 18.225 755 1HB LEU 652 HB2 LEU 652 -0.642 5.664 20.228 756 2HB LEU 652 HB3 LEU 652 -1.078 3.979 20.022 757 HG LEU 652 HG LEU 652 1.712 4.905 20.818 758 1HD1 LEU 652 HD11 LEU 652 -0.517 3.657 22.478 759 2HD1 LEU 652 HD12 LEU 652 1.101 4.137 23.048 760 3HD1 LEU 652 HD13 LEU 652 -0.056 5.368 22.515 761 1HD2 LEU 652 HD21 LEU 652 0.443 2.132 20.763 762 2HD2 LEU 652 HD22 LEU 652 1.789 2.696 19.741 763 3HD2 LEU 652 HD23 LEU 652 2.015 2.533 21.480 764 H LEU 653 H LEU 653 -1.425 6.692 17.726 765 HA LEU 653 HA LEU 653 -3.535 5.255 16.386 766 1HB LEU 653 HB2 LEU 653 -2.452 8.065 15.877 767 2HB LEU 653 HB3 LEU 653 -3.918 7.403 15.187 768 HG LEU 653 HG LEU 653 -3.506 8.115 18.108 769 1HD1 LEU 653 HD11 LEU 653 -5.185 9.841 17.552 770 2HD1 LEU 653 HD12 LEU 653 -3.697 10.033 16.618 771 3HD1 LEU 653 HD13 LEU 653 -5.147 9.337 15.855 772 1HD2 LEU 653 HD21 LEU 653 -5.080 6.188 17.865 773 2HD2 LEU 653 HD22 LEU 653 -5.890 7.674 18.383 774 3HD2 LEU 653 HD23 LEU 653 -6.017 7.138 16.692 775 H ALA 654 H ALA 654 -0.583 6.832 15.128 776 HA ALA 654 HA ALA 654 -0.980 6.233 12.400 777 1HB ALA 654 HB1 ALA 654 1.606 6.825 13.903 778 2HB ALA 654 HB2 ALA 654 1.323 6.992 12.162 779 3HB ALA 654 HB3 ALA 654 0.472 8.049 13.291 780 H GLU 655 H GLU 655 0.613 4.287 14.931 781 HA GLU 655 HA GLU 655 1.704 2.259 13.240 782 1HB GLU 655 HB2 GLU 655 2.307 2.614 15.603 783 2HB GLU 655 HB3 GLU 655 0.689 2.113 16.099 784 1HG GLU 655 HG2 GLU 655 1.119 -0.155 15.139 785 2HG GLU 655 HG3 GLU 655 2.732 0.377 14.645 786 H LYS 656 H LYS 656 -1.609 2.514 14.706 787 HA LYS 656 HA LYS 656 -2.477 -0.069 13.607 788 1HB LYS 656 HB2 LYS 656 -4.010 2.307 14.761 789 2HB LYS 656 HB3 LYS 656 -4.819 0.995 13.911 790 1HG LYS 656 HG2 LYS 656 -5.067 0.381 16.017 791 2HG LYS 656 HG3 LYS 656 -3.736 -0.642 15.454 792 1HD LYS 656 HD2 LYS 656 -3.204 1.928 16.960 793 2HD LYS 656 HD3 LYS 656 -3.731 0.492 17.836 794 1HE LYS 656 HE2 LYS 656 -1.839 -0.806 17.141 795 2HE LYS 656 HE3 LYS 656 -1.321 0.430 15.996 796 1HZ LYS 656 HZ1 LYS 656 -0.019 0.600 18.003 797 2HZ LYS 656 HZ2 LYS 656 -0.984 1.935 17.874 798 3HZ LYS 656 HZ3 LYS 656 -1.362 0.739 18.943 799 H ILE 657 H ILE 657 -2.642 3.277 12.489 800 HA ILE 657 HA ILE 657 -3.942 2.844 9.994 801 HB ILE 657 HB ILE 657 -2.033 4.847 11.139 802 1HG1 ILE 657 HG12 ILE 657 -4.556 4.765 11.515 803 2HG1 ILE 657 HG13 ILE 657 -3.867 6.306 11.040 804 1HG2 ILE 657 HG21 ILE 657 -2.654 4.788 8.178 805 2HG2 ILE 657 HG22 ILE 657 -2.124 6.238 9.067 806 3HG2 ILE 657 HG23 ILE 657 -1.068 4.831 8.982 807 1HD1 ILE 657 HD11 ILE 657 -4.605 6.096 8.791 808 2HD1 ILE 657 HD12 ILE 657 -5.166 4.420 9.044 809 3HD1 ILE 657 HD13 ILE 657 -5.972 5.773 9.850 810 H TYR 658 H TYR 658 -0.389 2.754 10.659 811 HA TYR 658 HA TYR 658 0.368 1.859 8.079 812 1HB TYR 658 HB2 TYR 658 1.888 2.771 9.799 813 2HB TYR 658 HB3 TYR 658 1.637 1.361 10.808 814 HD1 TYR 658 HD1 TYR 658 3.546 2.785 8.064 815 HD2 TYR 658 HD2 TYR 658 2.471 -0.940 9.993 816 HE1 TYR 658 HE1 TYR 658 5.587 1.718 7.193 817 HE2 TYR 658 HE2 TYR 658 4.508 -2.004 9.058 818 HH TYR 658 HH TYR 658 6.856 -0.194 7.044 819 H LYS 659 H LYS 659 -0.409 -0.169 10.981 820 HA LYS 659 HA LYS 659 -0.077 -2.715 9.770 821 1HB LYS 659 HB2 LYS 659 -0.500 -2.531 12.149 822 2HB LYS 659 HB3 LYS 659 -2.076 -1.781 11.870 823 1HG LYS 659 HG2 LYS 659 -2.908 -3.870 10.812 824 2HG LYS 659 HG3 LYS 659 -1.331 -4.635 11.077 825 1HD LYS 659 HD2 LYS 659 -1.645 -4.562 13.483 826 2HD LYS 659 HD3 LYS 659 -3.031 -3.478 13.317 827 1HE LYS 659 HE2 LYS 659 -3.857 -5.677 13.825 828 2HE LYS 659 HE3 LYS 659 -4.335 -5.245 12.178 829 1HZ LYS 659 HZ1 LYS 659 -2.707 -6.721 11.293 830 2HZ LYS 659 HZ2 LYS 659 -1.963 -6.943 12.752 831 3HZ LYS 659 HZ3 LYS 659 -3.451 -7.553 12.461 832 H ILE 660 H ILE 660 -3.142 -0.827 9.926 833 HA ILE 660 HA ILE 660 -4.630 -2.556 8.244 834 HB ILE 660 HB ILE 660 -4.886 0.400 8.862 835 1HG1 ILE 660 HG12 ILE 660 -6.564 -2.000 9.736 836 2HG1 ILE 660 HG13 ILE 660 -5.174 -1.434 10.644 837 1HG2 ILE 660 HG21 ILE 660 -5.985 0.150 6.695 838 2HG2 ILE 660 HG22 ILE 660 -6.859 -1.304 7.247 839 3HG2 ILE 660 HG23 ILE 660 -7.201 0.285 7.934 840 1HD1 ILE 660 HD11 ILE 660 -7.764 0.050 10.192 841 2HD1 ILE 660 HD12 ILE 660 -7.059 -0.522 11.710 842 3HD1 ILE 660 HD13 ILE 660 -6.291 0.823 10.853 843 H GLN 661 H GLN 661 -2.716 0.349 7.254 844 HA GLN 661 HA GLN 661 -3.356 0.129 4.515 845 1HB GLN 661 HB2 GLN 661 -1.726 1.832 6.114 846 2HB GLN 661 HB3 GLN 661 -0.627 1.143 4.934 847 1HG GLN 661 HG2 GLN 661 -1.530 3.128 3.956 848 2HG GLN 661 HG3 GLN 661 -2.274 1.747 3.142 849 1HE2 GLN 661 HE22 GLN 661 -4.493 2.243 2.745 850 2HE2 GLN 661 HE21 GLN 661 -5.509 3.085 3.919 851 H LYS 662 H LYS 662 -0.479 -1.224 6.195 852 HA LYS 662 HA LYS 662 0.578 -2.486 3.783 853 1HB LYS 662 HB2 LYS 662 1.200 -2.779 6.753 854 2HB LYS 662 HB3 LYS 662 2.155 -3.533 5.495 855 1HG LYS 662 HG2 LYS 662 1.762 -0.519 5.785 856 2HG LYS 662 HG3 LYS 662 3.132 -1.446 6.380 857 1HD LYS 662 HD2 LYS 662 4.013 -0.631 4.425 858 2HD LYS 662 HD3 LYS 662 3.456 -2.227 3.927 859 1HE LYS 662 HE2 LYS 662 1.244 -0.843 3.255 860 2HE LYS 662 HE3 LYS 662 2.343 0.523 3.290 861 1HZ LYS 662 HZ1 LYS 662 3.716 -0.607 1.630 862 2HZ LYS 662 HZ2 LYS 662 2.771 -1.938 1.666 863 3HZ LYS 662 HZ3 LYS 662 2.171 -0.548 1.068 864 H GLU 663 H GLU 663 -1.526 -3.640 6.344 865 HA GLU 663 HA GLU 663 -1.439 -6.400 5.458 866 1HB GLU 663 HB2 GLU 663 -2.020 -5.581 7.742 867 2HB GLU 663 HB3 GLU 663 -3.587 -5.027 7.120 868 1HG GLU 663 HG2 GLU 663 -4.193 -7.325 6.546 869 2HG GLU 663 HG3 GLU 663 -2.565 -7.897 6.935 870 H LEU 664 H LEU 664 -3.591 -3.640 4.598 871 HA LEU 664 HA LEU 664 -5.238 -5.391 2.888 872 1HB LEU 664 HB2 LEU 664 -5.346 -2.496 3.746 873 2HB LEU 664 HB3 LEU 664 -6.155 -2.991 2.278 874 HG LEU 664 HG LEU 664 -7.428 -4.714 3.477 875 1HD1 LEU 664 HD11 LEU 664 -6.071 -5.132 5.495 876 2HD1 LEU 664 HD12 LEU 664 -6.343 -3.456 6.031 877 3HD1 LEU 664 HD13 LEU 664 -7.704 -4.581 5.916 878 1HD2 LEU 664 HD21 LEU 664 -8.949 -3.153 4.583 879 2HD2 LEU 664 HD22 LEU 664 -7.691 -1.897 4.597 880 3HD2 LEU 664 HD23 LEU 664 -8.353 -2.482 3.052 881 H GLU 665 H GLU 665 -2.856 -2.709 2.252 882 HA GLU 665 HA GLU 665 -3.467 -2.353 -0.422 883 1HB GLU 665 HB2 GLU 665 -2.030 -0.912 0.908 884 2HB GLU 665 HB3 GLU 665 -0.751 -2.138 0.931 885 1HG GLU 665 HG2 GLU 665 -0.400 -1.874 -1.468 886 2HG GLU 665 HG3 GLU 665 -1.820 -0.824 -1.601 887 H GLU 666 H GLU 666 -1.071 -4.753 0.786 888 HA GLU 666 HA GLU 666 -0.383 -5.778 -1.824 889 1HB GLU 666 HB2 GLU 666 0.975 -6.083 0.257 890 2HB GLU 666 HB3 GLU 666 -0.305 -7.097 0.931 891 1HG GLU 666 HG2 GLU 666 0.043 -8.701 -1.004 892 2HG GLU 666 HG3 GLU 666 1.400 -7.700 -1.526 893 H LYS 667 H LYS 667 -2.874 -6.713 0.515 894 HA LYS 667 HA LYS 667 -3.725 -9.077 -1.006 895 1HB LYS 667 HB2 LYS 667 -5.007 -7.709 1.397 896 2HB LYS 667 HB3 LYS 667 -5.414 -9.304 0.765 897 1HG LYS 667 HG2 LYS 667 -2.794 -8.480 2.070 898 2HG LYS 667 HG3 LYS 667 -4.040 -9.542 2.729 899 1HD LYS 667 HD2 LYS 667 -3.571 -11.117 0.772 900 2HD LYS 667 HD3 LYS 667 -2.163 -10.116 0.389 901 1HE LYS 667 HE2 LYS 667 -2.676 -11.552 3.032 902 2HE LYS 667 HE3 LYS 667 -1.601 -12.119 1.752 903 1HZ LYS 667 HZ1 LYS 667 -1.222 -9.593 3.268 904 2HZ LYS 667 HZ2 LYS 667 -0.366 -10.965 3.481 905 3HZ LYS 667 HZ3 LYS 667 -0.220 -10.139 2.087 906 H ARG 668 H ARG 668 -4.432 -5.792 -1.324 907 HA ARG 668 HA ARG 668 -6.870 -6.357 -3.000 908 1HB ARG 668 HB2 ARG 668 -5.998 -3.776 -1.647 909 2HB ARG 668 HB3 ARG 668 -7.444 -3.971 -2.622 910 1HG ARG 668 HG2 ARG 668 -6.961 -5.367 0.051 911 2HG ARG 668 HG3 ARG 668 -7.872 -3.888 -0.196 912 1HD ARG 668 HD2 ARG 668 -9.453 -5.622 0.030 913 2HD ARG 668 HD3 ARG 668 -9.462 -5.143 -1.670 914 HE ARG 668 HE ARG 668 -7.648 -7.349 -1.166 915 1HH1 ARG 668 HH21 ARG 668 -11.109 -6.876 -1.575 916 2HH1 ARG 668 HH22 ARG 668 -11.270 -8.419 -2.377 917 1HH2 ARG 668 HH11 ARG 668 -7.918 -9.197 -2.133 918 2HH2 ARG 668 HH12 ARG 668 -9.502 -9.744 -2.644 919 H ARG 669 H ARG 669 -3.601 -5.682 -3.363 920 HA ARG 669 HA ARG 669 -4.053 -5.012 -6.245 921 1HB ARG 669 HB2 ARG 669 -1.905 -3.727 -4.499 922 2HB ARG 669 HB3 ARG 669 -2.157 -3.482 -6.229 923 1HG ARG 669 HG2 ARG 669 -4.458 -2.581 -5.710 924 2HG ARG 669 HG3 ARG 669 -4.034 -2.633 -3.988 925 1HD ARG 669 HD2 ARG 669 -2.094 -1.151 -4.422 926 2HD ARG 669 HD3 ARG 669 -2.527 -1.065 -6.130 927 HE ARG 669 HE ARG 669 -3.739 0.382 -3.920 928 1HH1 ARG 669 HH21 ARG 669 -4.508 -0.787 -7.162 929 2HH1 ARG 669 HH22 ARG 669 -5.741 0.444 -7.351 930 1HH2 ARG 669 HH11 ARG 669 -5.421 1.821 -4.292 931 2HH2 ARG 669 HH12 ARG 669 -6.309 1.692 -5.806 932 H SER 670 H SER 670 -3.723 -7.547 -5.129 933 HA SER 670 HA SER 670 -1.130 -8.507 -4.840 934 1HB SER 670 HB2 SER 670 -3.503 -10.132 -5.812 935 2HB SER 670 HB3 SER 670 -2.097 -10.707 -4.895 936 HG SER 670 HG SER 670 -2.834 -9.012 -3.295 937 H ARG 671 H ARG 671 -2.608 -7.796 -7.864 938 HA ARG 671 HA ARG 671 -0.128 -8.525 -9.261 939 1HB ARG 671 HB2 ARG 671 -1.475 -10.604 -9.430 940 2HB ARG 671 HB3 ARG 671 -2.798 -9.698 -10.166 941 1HG ARG 671 HG2 ARG 671 -1.379 -9.181 -12.128 942 2HG ARG 671 HG3 ARG 671 0.015 -9.931 -11.335 943 1HD ARG 671 HD2 ARG 671 -0.898 -11.476 -12.960 944 2HD ARG 671 HD3 ARG 671 -1.142 -12.111 -11.325 945 HE ARG 671 HE ARG 671 -3.441 -10.601 -12.272 946 1HH1 ARG 671 HH21 ARG 671 -1.977 -13.771 -12.552 947 2HH1 ARG 671 HH22 ARG 671 -3.500 -14.546 -12.896 948 1HH2 ARG 671 HH11 ARG 671 -5.350 -11.652 -12.731 949 2HH2 ARG 671 HH12 ARG 671 -5.350 -13.367 -13.015 950 H LEU 672 H LEU 672 -3.464 -7.525 -9.901 951 HA LEU 672 HA LEU 672 -2.753 -4.792 -10.583 952 1HB LEU 672 HB2 LEU 672 -2.327 -6.086 -12.715 953 2HB LEU 672 HB3 LEU 672 -4.001 -6.591 -12.727 954 HG LEU 672 HG LEU 672 -3.399 -4.794 -14.317 955 1HD1 LEU 672 HD11 LEU 672 -5.440 -3.776 -12.317 956 2HD1 LEU 672 HD12 LEU 672 -5.323 -3.404 -14.043 957 3HD1 LEU 672 HD13 LEU 672 -5.746 -5.046 -13.526 958 1HD2 LEU 672 HD21 LEU 672 -2.998 -2.522 -13.613 959 2HD2 LEU 672 HD22 LEU 672 -3.154 -2.966 -11.903 960 3HD2 LEU 672 HD23 LEU 672 -1.786 -3.577 -12.862 961 1H SER 839 H1 SER 839 -11.645 -11.259 23.302 962 2H SER 839 H2 SER 839 -10.674 -11.091 21.990 963 3H SER 839 H3 SER 839 -11.268 -12.562 22.391 964 HA SER 839 HA SER 839 -13.512 -11.876 21.930 965 1HB SER 839 HB2 SER 839 -13.233 -9.486 22.491 966 2HB SER 839 HB3 SER 839 -12.272 -9.251 21.015 967 HG SER 839 HG SER 839 -14.528 -8.755 20.766 968 H ASP 840 H ASP 840 -13.795 -13.329 20.348 969 HA ASP 840 HA ASP 840 -11.935 -13.799 18.231 970 1HB ASP 840 HB2 ASP 840 -13.469 -15.452 17.480 971 2HB ASP 840 HB3 ASP 840 -13.451 -15.493 19.237 972 H ALA 841 H ALA 841 -14.513 -11.483 18.420 973 HA ALA 841 HA ALA 841 -14.923 -11.113 15.571 974 1HB ALA 841 HB1 ALA 841 -16.146 -9.109 16.318 975 2HB ALA 841 HB2 ALA 841 -16.605 -10.522 17.288 976 3HB ALA 841 HB3 ALA 841 -15.495 -9.301 17.959 977 H GLY 842 H GLY 842 -12.307 -10.216 17.647 978 1HA GLY 842 HA2 GLY 842 -10.362 -9.033 17.154 979 2HA GLY 842 HA3 GLY 842 -11.043 -8.493 15.621 980 H ASN 843 H ASN 843 -9.652 -6.669 16.923 981 HA ASN 843 HA ASN 843 -11.664 -4.706 17.920 982 1HB ASN 843 HB2 ASN 843 -10.729 -5.961 19.878 983 2HB ASN 843 HB3 ASN 843 -9.113 -5.408 19.441 984 1HD2 ASN 843 HD21 ASN 843 -8.473 -3.501 20.460 985 2HD2 ASN 843 HD22 ASN 843 -9.606 -2.352 21.150 986 H ILE 844 H ILE 844 -8.245 -5.157 16.876 987 HA ILE 844 HA ILE 844 -7.960 -2.299 16.237 988 HB ILE 844 HB ILE 844 -6.175 -4.724 15.839 989 1HG1 ILE 844 HG12 ILE 844 -6.478 -3.955 18.196 990 2HG1 ILE 844 HG13 ILE 844 -4.829 -3.828 17.614 991 1HG2 ILE 844 HG21 ILE 844 -5.549 -3.272 14.055 992 2HG2 ILE 844 HG22 ILE 844 -5.690 -1.834 15.074 993 3HG2 ILE 844 HG23 ILE 844 -4.364 -3.001 15.344 994 1HD1 ILE 844 HD11 ILE 844 -6.756 -1.463 17.830 995 2HD1 ILE 844 HD12 ILE 844 -5.470 -1.875 18.979 996 3HD1 ILE 844 HD13 ILE 844 -5.061 -1.401 17.326 997 H LEU 845 H LEU 845 -8.861 -5.182 14.510 998 HA LEU 845 HA LEU 845 -9.995 -3.549 12.386 999 1HB LEU 845 HB2 LEU 845 -7.764 -3.882 11.479 1000 2HB LEU 845 HB3 LEU 845 -7.878 -5.623 11.722 1001 HG LEU 845 HG LEU 845 -9.558 -5.826 10.001 1002 1HD1 LEU 845 HD11 LEU 845 -10.869 -3.753 10.231 1003 2HD1 LEU 845 HD12 LEU 845 -9.473 -2.794 9.700 1004 3HD1 LEU 845 HD13 LEU 845 -10.278 -3.906 8.571 1005 1HD2 LEU 845 HD21 LEU 845 -8.255 -5.179 8.070 1006 2HD2 LEU 845 HD22 LEU 845 -7.329 -4.012 9.033 1007 3HD2 LEU 845 HD23 LEU 845 -7.184 -5.755 9.349 1008 HA PRO 846 HA PRO 846 -12.688 -6.806 14.372 1009 1HB PRO 846 HB2 PRO 846 -14.413 -4.579 13.215 1010 2HB PRO 846 HB3 PRO 846 -14.765 -5.606 14.621 1011 1HG PRO 846 HG2 PRO 846 -13.742 -3.205 15.057 1012 2HG PRO 846 HG3 PRO 846 -12.968 -4.600 15.885 1013 1HD PRO 846 HD2 PRO 846 -12.122 -3.222 13.331 1014 2HD PRO 846 HD3 PRO 846 -11.118 -3.670 14.734 1015 H SER 847 H SER 847 -13.263 -8.605 13.231 1016 HA SER 847 HA SER 847 -12.795 -8.885 10.505 1017 1HB SER 847 HB2 SER 847 -14.581 -10.607 12.259 1018 2HB SER 847 HB3 SER 847 -13.876 -11.085 10.702 1019 HG SER 847 HG SER 847 -12.607 -11.805 12.478 1020 H ASP 848 H ASP 848 -15.955 -8.250 12.042 1021 HA ASP 848 HA ASP 848 -17.550 -8.632 9.682 1022 1HB ASP 848 HB2 ASP 848 -18.380 -8.688 12.028 1023 2HB ASP 848 HB3 ASP 848 -18.091 -6.954 12.165 1024 H ILE 849 H ILE 849 -15.861 -5.781 10.980 1025 HA ILE 849 HA ILE 849 -16.893 -3.951 8.904 1026 HB ILE 849 HB ILE 849 -14.839 -3.691 11.124 1027 1HG1 ILE 849 HG12 ILE 849 -16.285 -1.768 11.787 1028 2HG1 ILE 849 HG13 ILE 849 -17.386 -2.129 10.464 1029 1HG2 ILE 849 HG21 ILE 849 -13.781 -2.489 9.341 1030 2HG2 ILE 849 HG22 ILE 849 -15.323 -1.746 8.837 1031 3HG2 ILE 849 HG23 ILE 849 -14.556 -1.297 10.370 1032 1HD1 ILE 849 HD11 ILE 849 -16.784 -4.039 12.768 1033 2HD1 ILE 849 HD12 ILE 849 -18.130 -2.887 12.746 1034 3HD1 ILE 849 HD13 ILE 849 -18.084 -4.191 11.554 1035 H MET 850 H MET 850 -13.872 -5.767 9.580 1036 HA MET 850 HA MET 850 -12.296 -4.889 7.457 1037 1HB MET 850 HB2 MET 850 -11.559 -6.392 9.306 1038 2HB MET 850 HB3 MET 850 -12.443 -7.722 8.560 1039 1HG MET 850 HG2 MET 850 -11.051 -7.542 6.523 1040 2HG MET 850 HG3 MET 850 -10.193 -6.176 7.212 1041 1HE MET 850 HE1 MET 850 -10.689 -10.031 7.070 1042 2HE MET 850 HE2 MET 850 -9.778 -10.622 8.476 1043 3HE MET 850 HE3 MET 850 -11.303 -9.747 8.716 1044 H ASP 851 H ASP 851 -14.585 -7.696 7.385 1045 HA ASP 851 HA ASP 851 -14.202 -8.445 4.710 1046 1HB ASP 851 HB2 ASP 851 -15.504 -9.691 6.407 1047 2HB ASP 851 HB3 ASP 851 -16.763 -8.455 6.362 1048 H PHE 852 H PHE 852 -16.290 -5.820 5.955 1049 HA PHE 852 HA PHE 852 -17.391 -5.092 3.381 1050 1HB PHE 852 HB2 PHE 852 -18.417 -4.596 5.610 1051 2HB PHE 852 HB3 PHE 852 -17.137 -3.437 5.920 1052 HD1 PHE 852 HD1 PHE 852 -19.869 -4.246 3.469 1053 HD2 PHE 852 HD2 PHE 852 -17.434 -1.180 5.281 1054 HE1 PHE 852 HE1 PHE 852 -21.241 -2.497 2.357 1055 HE2 PHE 852 HE2 PHE 852 -18.831 0.562 4.200 1056 HZ PHE 852 HZ PHE 852 -20.700 -0.091 2.698 1057 H VAL 853 H VAL 853 -14.567 -3.841 5.287 1058 HA VAL 853 HA VAL 853 -13.766 -1.864 3.353 1059 HB VAL 853 HB VAL 853 -11.891 -3.423 5.220 1060 1HG1 VAL 853 HG11 VAL 853 -10.720 -2.132 3.431 1061 2HG1 VAL 853 HG12 VAL 853 -11.597 -0.672 3.904 1062 3HG1 VAL 853 HG13 VAL 853 -10.445 -1.426 5.027 1063 1HG2 VAL 853 HG21 VAL 853 -12.044 -1.529 6.734 1064 2HG2 VAL 853 HG22 VAL 853 -13.302 -0.774 5.718 1065 3HG2 VAL 853 HG23 VAL 853 -13.619 -2.299 6.562 1066 H LEU 854 H LEU 854 -12.834 -5.341 3.638 1067 HA LEU 854 HA LEU 854 -11.028 -5.293 1.442 1068 1HB LEU 854 HB2 LEU 854 -12.642 -7.711 2.345 1069 2HB LEU 854 HB3 LEU 854 -11.183 -7.702 1.372 1070 HG LEU 854 HG LEU 854 -11.491 -7.341 4.328 1071 1HD1 LEU 854 HD11 LEU 854 -11.090 -9.559 3.377 1072 2HD1 LEU 854 HD12 LEU 854 -9.575 -8.971 2.652 1073 3HD1 LEU 854 HD13 LEU 854 -9.761 -9.025 4.419 1074 1HD2 LEU 854 HD21 LEU 854 -9.169 -6.677 4.588 1075 2HD2 LEU 854 HD22 LEU 854 -8.992 -6.517 2.818 1076 3HD2 LEU 854 HD23 LEU 854 -10.066 -5.426 3.732 1077 H LYS 855 H LYS 855 -14.540 -5.998 1.489 1078 HA LYS 855 HA LYS 855 -14.668 -6.716 -1.327 1079 1HB LYS 855 HB2 LYS 855 -16.732 -6.049 0.793 1080 2HB LYS 855 HB3 LYS 855 -17.189 -6.356 -0.888 1081 1HG LYS 855 HG2 LYS 855 -16.261 -8.571 -0.874 1082 2HG LYS 855 HG3 LYS 855 -15.500 -8.324 0.708 1083 1HD LYS 855 HD2 LYS 855 -17.676 -8.115 1.778 1084 2HD LYS 855 HD3 LYS 855 -18.513 -8.303 0.221 1085 1HE LYS 855 HE2 LYS 855 -17.694 -10.570 -0.036 1086 2HE LYS 855 HE3 LYS 855 -16.585 -10.382 1.332 1087 1HZ LYS 855 HZ1 LYS 855 -19.541 -10.336 1.582 1088 2HZ LYS 855 HZ2 LYS 855 -18.574 -11.597 1.985 1089 3HZ LYS 855 HZ3 LYS 855 -18.452 -10.192 2.811 1090 H ASN 856 H ASN 856 -15.112 -3.639 0.385 1091 HA ASN 856 HA ASN 856 -16.152 -2.246 -1.986 1092 1HB ASN 856 HB2 ASN 856 -15.319 -1.408 0.810 1093 2HB ASN 856 HB3 ASN 856 -15.632 -0.248 -0.469 1094 1HD2 ASN 856 HD22 ASN 856 -17.131 -2.596 1.638 1095 2HD2 ASN 856 HD21 ASN 856 -18.776 -2.054 1.318 1096 H THR 857 H THR 857 -12.981 -2.179 -0.267 1097 HA THR 857 HA THR 857 -11.965 0.010 -1.643 1098 HB THR 857 HB THR 857 -9.671 -0.807 -0.962 1099 HG1 THR 857 HG1 THR 857 -11.146 -2.710 0.502 1100 1HG2 THR 857 HG21 THR 857 -11.929 -0.523 1.070 1101 2HG2 THR 857 HG22 THR 857 -10.189 -0.471 1.465 1102 3HG2 THR 857 HG23 THR 857 -10.899 0.746 0.393 1103 HA PRO 858 HA PRO 858 -9.943 -2.757 -5.112 1104 1HB PRO 858 HB2 PRO 858 -12.539 -4.216 -5.646 1105 2HB PRO 858 HB3 PRO 858 -10.865 -4.701 -6.071 1106 1HG PRO 858 HG2 PRO 858 -12.049 -5.769 -3.895 1107 2HG PRO 858 HG3 PRO 858 -10.353 -5.189 -3.783 1108 1HD PRO 858 HD2 PRO 858 -12.888 -3.799 -2.912 1109 2HD PRO 858 HD3 PRO 858 -11.337 -3.939 -2.035 1110 H SER 859 H SER 859 -13.015 -1.085 -4.745 1111 HA SER 859 HA SER 859 -13.486 -0.298 -7.451 1112 1HB SER 859 HB2 SER 859 -14.773 1.518 -6.509 1113 2HB SER 859 HB3 SER 859 -15.084 0.034 -5.590 1114 HG SER 859 HG SER 859 -14.730 1.765 -4.174 1115 H MET 860 H MET 860 -11.000 0.709 -5.209 1116 HA MET 860 HA MET 860 -10.249 3.144 -6.597 1117 1HB MET 860 HB2 MET 860 -9.968 2.578 -4.109 1118 2HB MET 860 HB3 MET 860 -8.607 1.570 -4.577 1119 1HG MET 860 HG2 MET 860 -7.808 3.751 -3.880 1120 2HG MET 860 HG3 MET 860 -7.513 3.567 -5.602 1121 1HE MET 860 HE1 MET 860 -9.432 5.431 -2.781 1122 2HE MET 860 HE2 MET 860 -10.623 6.413 -3.663 1123 3HE MET 860 HE3 MET 860 -10.828 4.653 -3.570 1124 H GLN 861 H GLN 861 -10.414 1.576 -8.607 1125 HA GLN 861 HA GLN 861 -8.436 -0.312 -9.257 1126 1HB GLN 861 HB2 GLN 861 -10.233 1.402 -11.019 1127 2HB GLN 861 HB3 GLN 861 -9.305 0.020 -11.610 1128 1HG GLN 861 HG2 GLN 861 -10.528 -1.527 -10.207 1129 2HG GLN 861 HG3 GLN 861 -11.361 -0.217 -9.375 1130 1HE2 GLN 861 HE22 GLN 861 -13.109 0.896 -10.426 1131 2HE2 GLN 861 HE21 GLN 861 -13.815 0.245 -11.899 1132 H ALA 862 H ALA 862 -8.068 3.145 -9.391 1133 HA ALA 862 HA ALA 862 -6.127 3.418 -11.449 1134 1HB ALA 862 HB1 ALA 862 -7.340 5.300 -10.415 1135 2HB ALA 862 HB2 ALA 862 -6.509 5.000 -8.868 1136 3HB ALA 862 HB3 ALA 862 -5.587 5.533 -10.289 1137 H LEU 863 H LEU 863 -3.885 3.537 -11.414 1138 HA LEU 863 HA LEU 863 -2.303 2.713 -9.086 1139 1HB LEU 863 HB2 LEU 863 -3.106 0.587 -10.156 1140 2HB LEU 863 HB3 LEU 863 -2.393 1.101 -11.680 1141 HG LEU 863 HG LEU 863 -0.127 0.956 -10.679 1142 1HD1 LEU 863 HD11 LEU 863 -1.578 -0.102 -8.210 1143 2HD1 LEU 863 HD12 LEU 863 0.178 -0.145 -8.479 1144 3HD1 LEU 863 HD13 LEU 863 -0.644 1.404 -8.288 1145 1HD2 LEU 863 HD21 LEU 863 -1.802 -1.549 -10.263 1146 2HD2 LEU 863 HD22 LEU 863 -1.120 -0.989 -11.808 1147 3HD2 LEU 863 HD23 LEU 863 -0.039 -1.479 -10.496 1148 H GLY 864 H GLY 864 0.003 3.061 -9.444 1149 1HA GLY 864 HA2 GLY 864 0.963 4.271 -11.871 1150 2HA GLY 864 HA3 GLY 864 0.860 5.411 -10.517 1151 H GLU 865 H GLU 865 1.715 1.941 -10.400 1152 HA GLU 865 HA GLU 865 4.568 2.433 -9.960 1153 1HB GLU 865 HB2 GLU 865 3.493 2.847 -7.731 1154 2HB GLU 865 HB3 GLU 865 2.780 1.239 -7.788 1155 1HG GLU 865 HG2 GLU 865 4.733 1.335 -6.314 1156 2HG GLU 865 HG3 GLU 865 4.984 0.200 -7.626 1157 H SER 866 H SER 866 5.805 0.472 -9.972 1158 HA SER 866 HA SER 866 4.457 -1.972 -11.070 1159 1HB SER 866 HB2 SER 866 6.808 -0.513 -12.320 1160 2HB SER 866 HB3 SER 866 6.210 -2.111 -12.802 1161 HG SER 866 HG SER 866 5.366 -0.410 -14.108 1162 HA PRO 867 HA PRO 867 7.377 -3.160 -7.636 1163 1HB PRO 867 HB2 PRO 867 5.414 -5.453 -7.742 1164 2HB PRO 867 HB3 PRO 867 6.182 -4.691 -6.313 1165 1HG PRO 867 HG2 PRO 867 3.623 -4.090 -6.966 1166 2HG PRO 867 HG3 PRO 867 4.750 -2.783 -6.473 1167 1HD PRO 867 HD2 PRO 867 3.917 -3.589 -9.269 1168 2HD PRO 867 HD3 PRO 867 4.057 -1.954 -8.557 1169 H GLU 868 H GLU 868 8.933 -4.820 -7.553 1170 HA GLU 868 HA GLU 868 9.145 -6.716 -9.850 1171 1HB GLU 868 HB2 GLU 868 11.385 -5.991 -10.343 1172 2HB GLU 868 HB3 GLU 868 10.287 -4.622 -10.450 1173 1HG GLU 868 HG2 GLU 868 11.026 -3.849 -8.195 1174 2HG GLU 868 HG3 GLU 868 12.135 -5.216 -8.091 1175 H SER 869 H SER 869 9.034 -6.650 -6.614 1176 HA SER 869 HA SER 869 10.468 -9.187 -6.249 1177 1HB SER 869 HB2 SER 869 11.293 -6.645 -4.780 1178 2HB SER 869 HB3 SER 869 11.654 -8.279 -4.186 1179 HG SER 869 HG SER 869 12.244 -7.758 -6.868 Start of MODEL 6 1 1H LYS 291 H1 LYS 291 8.463 0.448 -2.897 2 2H LYS 291 H2 LYS 291 7.025 0.846 -3.570 3 3H LYS 291 H3 LYS 291 8.142 2.003 -3.283 4 HA LYS 291 HA LYS 291 6.401 2.145 -1.645 5 1HB LYS 291 HB2 LYS 291 6.076 0.324 -0.014 6 2HB LYS 291 HB3 LYS 291 5.511 -0.021 -1.645 7 1HG LYS 291 HG2 LYS 291 7.684 -1.350 -2.001 8 2HG LYS 291 HG3 LYS 291 7.961 -1.200 -0.264 9 1HD LYS 291 HD2 LYS 291 5.528 -2.486 -1.580 10 2HD LYS 291 HD3 LYS 291 6.934 -3.342 -0.939 11 1HE LYS 291 HE2 LYS 291 6.454 -2.405 1.331 12 2HE LYS 291 HE3 LYS 291 4.991 -1.643 0.688 13 1HZ LYS 291 HZ1 LYS 291 4.509 -3.807 1.708 14 2HZ LYS 291 HZ2 LYS 291 4.166 -3.866 0.112 15 3HZ LYS 291 HZ3 LYS 291 5.524 -4.570 0.685 16 H GLU 292 H GLU 292 7.653 3.817 -0.968 17 HA GLU 292 HA GLU 292 9.245 3.244 1.434 18 1HB GLU 292 HB2 GLU 292 10.935 3.065 -0.364 19 2HB GLU 292 HB3 GLU 292 10.518 4.680 -0.941 20 1HG GLU 292 HG2 GLU 292 11.304 5.672 1.166 21 2HG GLU 292 HG3 GLU 292 11.555 4.068 1.862 22 H LYS 293 H LYS 293 8.584 6.012 -0.838 23 HA LYS 293 HA LYS 293 8.503 8.004 1.164 24 1HB LYS 293 HB2 LYS 293 8.671 8.439 -1.269 25 2HB LYS 293 HB3 LYS 293 7.024 7.879 -1.502 26 1HG LYS 293 HG2 LYS 293 7.129 10.308 -1.552 27 2HG LYS 293 HG3 LYS 293 6.131 9.756 -0.218 28 1HD LYS 293 HD2 LYS 293 7.488 11.670 0.431 29 2HD LYS 293 HD3 LYS 293 7.941 10.258 1.388 30 1HE LYS 293 HE2 LYS 293 9.923 9.895 -0.058 31 2HE LYS 293 HE3 LYS 293 9.430 11.239 -1.095 32 1HZ LYS 293 HZ1 LYS 293 11.117 11.930 0.507 33 2HZ LYS 293 HZ2 LYS 293 9.730 12.734 0.803 34 3HZ LYS 293 HZ3 LYS 293 10.182 11.496 1.771 35 H ARG 294 H ARG 294 5.707 6.231 -0.168 36 HA ARG 294 HA ARG 294 3.694 7.392 1.417 37 1HB ARG 294 HB2 ARG 294 3.237 6.035 -0.527 38 2HB ARG 294 HB3 ARG 294 3.883 4.586 0.235 39 1HG ARG 294 HG2 ARG 294 1.618 6.002 1.642 40 2HG ARG 294 HG3 ARG 294 1.241 5.210 0.127 41 1HD ARG 294 HD2 ARG 294 2.668 3.744 2.386 42 2HD ARG 294 HD3 ARG 294 0.926 3.817 2.289 43 HE ARG 294 HE ARG 294 2.734 2.241 0.611 44 1HH1 ARG 294 HH21 ARG 294 -0.572 3.514 0.696 45 2HH1 ARG 294 HH22 ARG 294 -1.086 2.279 -0.458 46 1HH2 ARG 294 HH12 ARG 294 1.861 0.788 -0.906 47 2HH2 ARG 294 HH11 ARG 294 0.137 0.914 -1.254 48 H ILE 295 H ILE 295 5.949 4.843 2.356 49 HA ILE 295 HA ILE 295 4.528 3.875 4.669 50 HB ILE 295 HB ILE 295 7.476 3.827 3.939 51 1HG1 ILE 295 HG12 ILE 295 6.105 2.676 2.292 52 2HG1 ILE 295 HG13 ILE 295 7.076 1.540 3.196 53 1HG2 ILE 295 HG21 ILE 295 6.052 2.377 6.167 54 2HG2 ILE 295 HG22 ILE 295 7.647 1.917 5.540 55 3HG2 ILE 295 HG23 ILE 295 7.413 3.498 6.292 56 1HD1 ILE 295 HD11 ILE 295 4.707 0.818 2.674 57 2HD1 ILE 295 HD12 ILE 295 5.178 0.687 4.371 58 3HD1 ILE 295 HD13 ILE 295 4.115 2.014 3.844 59 H LYS 296 H LYS 296 7.099 6.389 4.384 60 HA LYS 296 HA LYS 296 6.694 7.160 7.189 61 1HB LYS 296 HB2 LYS 296 8.908 7.372 6.014 62 2HB LYS 296 HB3 LYS 296 8.212 8.633 4.995 63 1HG LYS 296 HG2 LYS 296 9.507 9.633 6.790 64 2HG LYS 296 HG3 LYS 296 7.807 10.038 7.017 65 1HD LYS 296 HD2 LYS 296 7.621 8.272 8.772 66 2HD LYS 296 HD3 LYS 296 9.321 7.834 8.496 67 1HE LYS 296 HE2 LYS 296 9.965 10.176 9.147 68 2HE LYS 296 HE3 LYS 296 8.258 10.522 9.470 69 1HZ LYS 296 HZ1 LYS 296 9.908 8.498 10.884 70 2HZ LYS 296 HZ2 LYS 296 9.357 9.898 11.518 71 3HZ LYS 296 HZ3 LYS 296 8.306 8.695 11.131 72 H GLU 297 H GLU 297 5.609 8.387 4.031 73 HA GLU 297 HA GLU 297 4.390 10.792 4.785 74 1HB GLU 297 HB2 GLU 297 4.630 9.796 2.446 75 2HB GLU 297 HB3 GLU 297 3.268 8.758 2.842 76 1HG GLU 297 HG2 GLU 297 1.835 10.766 3.160 77 2HG GLU 297 HG3 GLU 297 3.236 11.773 2.767 78 H LEU 298 H LEU 298 2.844 7.532 4.772 79 HA LEU 298 HA LEU 298 0.330 8.322 5.797 80 1HB LEU 298 HB2 LEU 298 0.827 6.179 4.654 81 2HB LEU 298 HB3 LEU 298 1.836 5.672 6.004 82 HG LEU 298 HG LEU 298 -0.306 5.955 7.477 83 1HD1 LEU 298 HD11 LEU 298 -2.443 5.675 6.267 84 2HD1 LEU 298 HD12 LEU 298 -1.693 7.229 5.886 85 3HD1 LEU 298 HD13 LEU 298 -1.599 5.895 4.715 86 1HD2 LEU 298 HD21 LEU 298 0.667 3.849 6.910 87 2HD2 LEU 298 HD22 LEU 298 -1.099 3.748 6.871 88 3HD2 LEU 298 HD23 LEU 298 -0.171 3.822 5.340 89 H GLU 299 H GLU 299 3.262 7.226 7.536 90 HA GLU 299 HA GLU 299 2.122 7.241 10.152 91 1HB GLU 299 HB2 GLU 299 4.264 6.130 9.468 92 2HB GLU 299 HB3 GLU 299 5.009 7.723 9.304 93 1HG GLU 299 HG2 GLU 299 4.430 8.118 11.769 94 2HG GLU 299 HG3 GLU 299 3.965 6.419 11.848 95 H LEU 300 H LEU 300 3.934 9.729 8.319 96 HA LEU 300 HA LEU 300 3.938 11.730 10.366 97 1HB LEU 300 HB2 LEU 300 5.620 11.431 8.555 98 2HB LEU 300 HB3 LEU 300 4.411 11.897 7.362 99 HG LEU 300 HG LEU 300 4.312 14.177 8.336 100 1HD1 LEU 300 HD11 LEU 300 6.082 14.860 9.970 101 2HD1 LEU 300 HD12 LEU 300 4.901 13.756 10.675 102 3HD1 LEU 300 HD13 LEU 300 6.505 13.149 10.197 103 1HD2 LEU 300 HD21 LEU 300 7.136 13.225 7.711 104 2HD2 LEU 300 HD22 LEU 300 5.891 13.657 6.518 105 3HD2 LEU 300 HD23 LEU 300 6.539 14.897 7.603 106 H LEU 301 H LEU 301 1.649 11.078 7.736 107 HA LEU 301 HA LEU 301 0.330 13.518 7.532 108 1HB LEU 301 HB2 LEU 301 -0.469 10.641 7.179 109 2HB LEU 301 HB3 LEU 301 -1.775 11.805 7.259 110 HG LEU 301 HG LEU 301 0.523 12.080 5.282 111 1HD1 LEU 301 HD11 LEU 301 -1.086 11.211 3.612 112 2HD1 LEU 301 HD12 LEU 301 -0.742 10.001 4.850 113 3HD1 LEU 301 HD13 LEU 301 -2.271 10.898 4.902 114 1HD2 LEU 301 HD21 LEU 301 -0.697 14.190 5.724 115 2HD2 LEU 301 HD22 LEU 301 -1.055 13.573 4.109 116 3HD2 LEU 301 HD23 LEU 301 -2.242 13.366 5.413 117 H LEU 302 H LEU 302 -0.323 11.011 10.022 118 HA LEU 302 HA LEU 302 -2.438 12.508 11.291 119 1HB LEU 302 HB2 LEU 302 -0.724 10.141 12.011 120 2HB LEU 302 HB3 LEU 302 -1.564 10.956 13.320 121 HG LEU 302 HG LEU 302 -3.014 9.933 10.865 122 1HD1 LEU 302 HD11 LEU 302 -2.457 8.747 13.615 123 2HD1 LEU 302 HD12 LEU 302 -3.787 8.194 12.595 124 3HD1 LEU 302 HD13 LEU 302 -2.123 8.051 11.997 125 1HD2 LEU 302 HD21 LEU 302 -4.239 11.698 12.177 126 2HD2 LEU 302 HD22 LEU 302 -5.000 10.103 12.261 127 3HD2 LEU 302 HD23 LEU 302 -4.029 10.677 13.629 128 H MET 303 H MET 303 1.052 12.233 12.155 129 HA MET 303 HA MET 303 0.955 14.028 14.353 130 1HB MET 303 HB2 MET 303 3.218 13.275 12.464 131 2HB MET 303 HB3 MET 303 3.444 14.285 13.902 132 1HG MET 303 HG2 MET 303 2.502 12.528 15.322 133 2HG MET 303 HG3 MET 303 2.304 11.462 13.930 134 1HE MET 303 HE1 MET 303 5.938 10.403 13.061 135 2HE MET 303 HE2 MET 303 4.206 10.241 12.700 136 3HE MET 303 HE3 MET 303 5.069 11.745 12.292 137 H SER 304 H SER 304 0.978 14.796 10.943 138 HA SER 304 HA SER 304 1.646 17.616 11.229 139 1HB SER 304 HB2 SER 304 0.240 16.174 8.947 140 2HB SER 304 HB3 SER 304 0.962 17.791 8.898 141 HG SER 304 HG SER 304 2.305 15.309 9.310 142 H THR 305 H THR 305 -1.316 15.863 11.755 143 HA THR 305 HA THR 305 -3.276 17.490 10.672 144 HB THR 305 HB THR 305 -3.548 16.044 13.327 145 HG1 THR 305 HG1 THR 305 -2.861 14.547 12.054 146 1HG2 THR 305 HG21 THR 305 -5.513 16.976 11.208 147 2HG2 THR 305 HG22 THR 305 -5.885 15.621 12.284 148 3HG2 THR 305 HG23 THR 305 -5.562 17.207 12.975 149 H GLU 306 H GLU 306 -1.764 18.028 13.876 150 HA GLU 306 HA GLU 306 -3.563 20.027 14.757 151 1HB GLU 306 HB2 GLU 306 -1.753 20.727 16.293 152 2HB GLU 306 HB3 GLU 306 -2.207 19.024 16.351 153 1HG GLU 306 HG2 GLU 306 -0.253 18.391 15.032 154 2HG GLU 306 HG3 GLU 306 0.122 20.103 14.766 155 H ASN 307 H ASN 307 -1.148 20.368 12.267 156 HA ASN 307 HA ASN 307 -1.259 23.319 12.280 157 1HB ASN 307 HB2 ASN 307 0.759 22.028 11.542 158 2HB ASN 307 HB3 ASN 307 -0.186 21.341 10.220 159 1HD2 ASN 307 HD22 ASN 307 0.319 22.357 8.305 160 2HD2 ASN 307 HD21 ASN 307 0.657 24.075 8.165 161 H GLU 308 H GLU 308 -3.003 20.649 10.797 162 HA GLU 308 HA GLU 308 -4.191 22.184 8.611 163 1HB GLU 308 HB2 GLU 308 -4.860 19.379 9.585 164 2HB GLU 308 HB3 GLU 308 -5.332 20.126 8.058 165 1HG GLU 308 HG2 GLU 308 -2.853 20.357 7.512 166 2HG GLU 308 HG3 GLU 308 -2.528 19.327 8.912 167 H LEU 309 H LEU 309 -5.068 21.555 11.883 168 HA LEU 309 HA LEU 309 -7.769 21.210 11.855 169 1HB LEU 309 HB2 LEU 309 -5.724 21.831 13.801 170 2HB LEU 309 HB3 LEU 309 -7.112 22.815 14.175 171 HG LEU 309 HG LEU 309 -7.145 20.755 15.433 172 1HD1 LEU 309 HD11 LEU 309 -9.349 20.590 13.344 173 2HD1 LEU 309 HD12 LEU 309 -9.361 19.912 14.980 174 3HD1 LEU 309 HD13 LEU 309 -9.347 21.671 14.756 175 1HD2 LEU 309 HD21 LEU 309 -7.429 18.561 14.378 176 2HD2 LEU 309 HD22 LEU 309 -7.250 19.277 12.771 177 3HD2 LEU 309 HD23 LEU 309 -5.896 19.319 13.915 178 H LYS 310 H LYS 310 -6.535 24.170 10.793 179 HA LYS 310 HA LYS 310 -8.829 25.856 11.457 180 1HB LYS 310 HB2 LYS 310 -6.354 26.525 10.907 181 2HB LYS 310 HB3 LYS 310 -6.850 26.385 9.220 182 1HG LYS 310 HG2 LYS 310 -8.700 28.062 9.717 183 2HG LYS 310 HG3 LYS 310 -8.082 28.181 11.371 184 1HD LYS 310 HD2 LYS 310 -5.907 28.998 10.508 185 2HD LYS 310 HD3 LYS 310 -6.509 28.842 8.841 186 1HE LYS 310 HE2 LYS 310 -8.333 30.460 9.366 187 2HE LYS 310 HE3 LYS 310 -7.700 30.636 11.008 188 1HZ LYS 310 HZ1 LYS 310 -6.222 31.343 8.525 189 2HZ LYS 310 HZ2 LYS 310 -6.903 32.411 9.553 190 3HZ LYS 310 HZ3 LYS 310 -5.635 31.510 10.042 191 H GLY 311 H GLY 311 -9.675 23.397 10.395 192 1HA GLY 311 HA2 GLY 311 -10.464 23.685 7.564 193 2HA GLY 311 HA3 GLY 311 -10.738 22.302 8.614 194 H GLN 312 H GLN 312 -12.819 22.492 7.383 195 HA GLN 312 HA GLN 312 -14.875 24.091 8.830 196 1HB GLN 312 HB2 GLN 312 -14.482 24.020 5.804 197 2HB GLN 312 HB3 GLN 312 -15.871 24.730 6.634 198 1HG GLN 312 HG2 GLN 312 -14.341 26.324 7.797 199 2HG GLN 312 HG3 GLN 312 -12.991 25.711 6.836 200 1HE2 GLN 312 HE22 GLN 312 -14.025 28.466 6.871 201 2HE2 GLN 312 HE21 GLN 312 -14.527 28.786 5.215 202 H GLN 313 H GLN 313 -17.117 23.442 7.979 203 HA GLN 313 HA GLN 313 -17.340 20.542 7.308 204 1HB GLN 313 HB2 GLN 313 -18.929 22.004 9.469 205 2HB GLN 313 HB3 GLN 313 -19.227 20.375 8.888 206 1HG GLN 313 HG2 GLN 313 -18.084 20.039 10.891 207 2HG GLN 313 HG3 GLN 313 -16.892 19.733 9.637 208 1HE2 GLN 313 HE22 GLN 313 -15.047 20.192 10.957 209 2HE2 GLN 313 HE21 GLN 313 -14.752 21.799 11.609 210 H ALA 314 H ALA 314 -19.487 19.967 6.498 211 HA ALA 314 HA ALA 314 -20.875 22.148 4.998 212 1HB ALA 314 HB1 ALA 314 -19.061 21.117 3.639 213 2HB ALA 314 HB2 ALA 314 -19.814 19.521 3.866 214 3HB ALA 314 HB3 ALA 314 -20.667 20.794 2.965 215 H LEU 315 H LEU 315 -21.665 20.553 7.387 216 HA LEU 315 HA LEU 315 -24.294 19.563 6.536 217 1HB LEU 315 HB2 LEU 315 -23.954 17.394 7.756 218 2HB LEU 315 HB3 LEU 315 -23.097 17.566 6.240 219 HG LEU 315 HG LEU 315 -20.964 17.919 7.420 220 1HD1 LEU 315 HD11 LEU 315 -22.592 17.461 9.954 221 2HD1 LEU 315 HD12 LEU 315 -20.817 17.394 9.855 222 3HD1 LEU 315 HD13 LEU 315 -21.651 18.911 9.534 223 1HD2 LEU 315 HD21 LEU 315 -20.743 15.621 8.257 224 2HD2 LEU 315 HD22 LEU 315 -22.513 15.463 8.335 225 3HD2 LEU 315 HD23 LEU 315 -21.697 15.666 6.767 226 1H GLY 586 H1 GLY 586 4.360 3.445 42.046 227 2H GLY 586 H2 GLY 586 4.772 3.460 40.461 228 3H GLY 586 H3 GLY 586 5.291 4.655 41.455 229 1HA GLY 586 HA2 GLY 586 2.481 4.152 40.711 230 2HA GLY 586 HA3 GLY 586 3.033 5.421 41.817 231 H VAL 587 H VAL 587 1.835 5.132 38.886 232 HA VAL 587 HA VAL 587 3.251 7.503 37.779 233 HB VAL 587 HB VAL 587 2.569 5.023 36.132 234 1HG1 VAL 587 HG11 VAL 587 3.752 6.224 34.296 235 2HG1 VAL 587 HG12 VAL 587 2.293 7.066 34.794 236 3HG1 VAL 587 HG13 VAL 587 3.884 7.660 35.331 237 1HG2 VAL 587 HG21 VAL 587 5.292 6.168 36.897 238 2HG2 VAL 587 HG22 VAL 587 4.622 4.600 37.407 239 3HG2 VAL 587 HG23 VAL 587 5.017 4.870 35.714 240 H ARG 588 H ARG 588 1.871 8.894 36.674 241 HA ARG 588 HA ARG 588 -1.052 8.264 36.540 242 1HB ARG 588 HB2 ARG 588 0.199 10.692 37.910 243 2HB ARG 588 HB3 ARG 588 -1.524 10.471 37.599 244 1HG ARG 588 HG2 ARG 588 -1.503 8.414 39.022 245 2HG ARG 588 HG3 ARG 588 0.186 8.735 39.440 246 1HD ARG 588 HD2 ARG 588 -2.131 10.641 39.969 247 2HD ARG 588 HD3 ARG 588 -1.464 9.501 41.149 248 HE ARG 588 HE ARG 588 0.700 11.053 40.201 249 1HH1 ARG 588 HH21 ARG 588 -2.184 11.604 42.113 250 2HH1 ARG 588 HH22 ARG 588 -1.463 12.927 42.990 251 1HH2 ARG 588 HH11 ARG 588 1.560 12.753 41.355 252 2HH2 ARG 588 HH12 ARG 588 0.602 13.552 42.567 253 H LYS 589 H LYS 589 -2.274 9.666 35.222 254 HA LYS 589 HA LYS 589 -0.986 10.708 32.820 255 1HB LYS 589 HB2 LYS 589 -3.848 10.906 33.883 256 2HB LYS 589 HB3 LYS 589 -3.345 11.512 32.314 257 1HG LYS 589 HG2 LYS 589 -3.375 8.602 33.189 258 2HG LYS 589 HG3 LYS 589 -4.431 9.403 32.027 259 1HD LYS 589 HD2 LYS 589 -2.211 9.924 30.706 260 2HD LYS 589 HD3 LYS 589 -1.493 8.693 31.749 261 1HE LYS 589 HE2 LYS 589 -2.099 7.562 29.778 262 2HE LYS 589 HE3 LYS 589 -3.319 7.089 30.959 263 1HZ LYS 589 HZ1 LYS 589 -3.857 8.062 28.515 264 2HZ LYS 589 HZ2 LYS 589 -4.929 8.166 29.762 265 3HZ LYS 589 HZ3 LYS 589 -3.978 9.442 29.384 266 H GLY 590 H GLY 590 -1.511 12.890 32.005 267 1HA GLY 590 HA2 GLY 590 -2.064 15.140 33.596 268 2HA GLY 590 HA3 GLY 590 -0.309 14.935 33.644 269 H TRP 591 H TRP 591 -0.152 13.925 30.878 270 HA TRP 591 HA TRP 591 0.313 16.301 29.451 271 1HB TRP 591 HB2 TRP 591 0.801 14.879 27.599 272 2HB TRP 591 HB3 TRP 591 1.357 14.072 29.051 273 HD1 TRP 591 HD1 TRP 591 0.216 11.764 29.673 274 HE1 TRP 591 HE1 TRP 591 -1.182 10.086 28.303 275 HE3 TRP 591 HE3 TRP 591 -1.091 14.786 25.742 276 HZ2 TRP 591 HZ2 TRP 591 -2.834 10.131 25.951 277 HZ3 TRP 591 HZ3 TRP 591 -2.543 13.916 23.934 278 HH2 TRP 591 HH2 TRP 591 -3.424 11.603 24.024 279 H HIS 592 H HIS 592 -2.767 14.902 29.914 280 HA HIS 592 HA HIS 592 -3.981 15.013 27.405 281 1HB HIS 592 HB2 HIS 592 -5.157 15.431 30.179 282 2HB HIS 592 HB3 HIS 592 -6.113 15.196 28.726 283 HD1 HIS 592 HD1 HIS 592 -7.142 13.011 29.901 284 HD2 HIS 592 HD2 HIS 592 -3.035 12.879 28.984 285 HE1 HIS 592 HE1 HIS 592 -6.443 10.570 30.098 286 H GLU 593 H GLU 593 -3.365 17.741 29.572 287 HA GLU 593 HA GLU 593 -5.130 19.660 28.460 288 1HB GLU 593 HB2 GLU 593 -3.751 21.280 29.560 289 2HB GLU 593 HB3 GLU 593 -3.944 19.881 30.606 290 1HG GLU 593 HG2 GLU 593 -1.663 19.096 29.971 291 2HG GLU 593 HG3 GLU 593 -1.479 20.494 28.909 292 H HIS 594 H HIS 594 -2.288 18.283 27.003 293 HA HIS 594 HA HIS 594 -1.753 20.484 25.169 294 1HB HIS 594 HB2 HIS 594 -0.886 17.571 25.074 295 2HB HIS 594 HB3 HIS 594 -0.195 18.904 24.149 296 HD1 HIS 594 HD1 HIS 594 1.249 16.996 26.513 297 HD2 HIS 594 HD2 HIS 594 0.092 21.034 26.620 298 HE1 HIS 594 HE1 HIS 594 2.703 18.106 28.291 299 H VAL 595 H VAL 595 -4.396 18.468 25.258 300 HA VAL 595 HA VAL 595 -4.844 18.572 22.298 301 HB VAL 595 HB VAL 595 -5.336 16.240 24.198 302 1HG1 VAL 595 HG11 VAL 595 -6.174 15.012 22.181 303 2HG1 VAL 595 HG12 VAL 595 -7.269 16.275 22.740 304 3HG1 VAL 595 HG13 VAL 595 -6.246 16.548 21.305 305 1HG2 VAL 595 HG21 VAL 595 -3.928 15.014 22.534 306 2HG2 VAL 595 HG22 VAL 595 -3.666 16.535 21.667 307 3HG2 VAL 595 HG23 VAL 595 -3.046 16.327 23.322 308 H THR 596 H THR 596 -7.029 18.710 21.643 309 HA THR 596 HA THR 596 -8.999 19.685 23.675 310 HB THR 596 HB THR 596 -9.774 21.314 22.021 311 HG1 THR 596 HG1 THR 596 -8.428 21.672 20.176 312 1HG2 THR 596 HG21 THR 596 -6.764 21.635 22.371 313 2HG2 THR 596 HG22 THR 596 -7.965 22.914 22.094 314 3HG2 THR 596 HG23 THR 596 -7.974 22.011 23.618 315 H GLN 597 H GLN 597 -11.250 19.455 23.036 316 HA GLN 597 HA GLN 597 -11.919 16.941 21.926 317 1HB GLN 597 HB2 GLN 597 -13.288 18.343 23.492 318 2HB GLN 597 HB3 GLN 597 -13.702 19.399 22.130 319 1HG GLN 597 HG2 GLN 597 -14.755 17.472 20.967 320 2HG GLN 597 HG3 GLN 597 -14.315 16.407 22.302 321 1HE2 GLN 597 HE22 GLN 597 -17.006 16.775 21.361 322 2HE2 GLN 597 HE21 GLN 597 -17.900 17.547 22.665 323 H ASP 598 H ASP 598 -11.565 20.087 20.305 324 HA ASP 598 HA ASP 598 -12.696 19.362 17.768 325 1HB ASP 598 HB2 ASP 598 -10.517 21.362 18.503 326 2HB ASP 598 HB3 ASP 598 -11.278 21.240 16.918 327 H LEU 599 H LEU 599 -9.312 19.098 19.024 328 HA LEU 599 HA LEU 599 -8.295 17.918 16.606 329 1HB LEU 599 HB2 LEU 599 -6.868 19.028 18.292 330 2HB LEU 599 HB3 LEU 599 -7.238 17.748 19.453 331 HG LEU 599 HG LEU 599 -6.085 16.086 18.079 332 1HD1 LEU 599 HD11 LEU 599 -6.492 16.960 15.800 333 2HD1 LEU 599 HD12 LEU 599 -5.465 18.371 16.153 334 3HD1 LEU 599 HD13 LEU 599 -4.777 16.736 16.085 335 1HD2 LEU 599 HD21 LEU 599 -3.800 16.932 18.270 336 2HD2 LEU 599 HD22 LEU 599 -4.392 18.603 18.361 337 3HD2 LEU 599 HD23 LEU 599 -4.750 17.458 19.670 338 H ARG 600 H ARG 600 -9.517 16.439 19.671 339 HA ARG 600 HA ARG 600 -9.213 13.695 18.935 340 1HB ARG 600 HB2 ARG 600 -11.467 14.978 20.547 341 2HB ARG 600 HB3 ARG 600 -11.116 13.262 20.489 342 1HG ARG 600 HG2 ARG 600 -9.264 15.399 21.617 343 2HG ARG 600 HG3 ARG 600 -10.311 14.358 22.557 344 1HD ARG 600 HD2 ARG 600 -7.966 13.492 20.828 345 2HD ARG 600 HD3 ARG 600 -7.959 13.604 22.585 346 HE ARG 600 HE ARG 600 -8.962 11.399 21.008 347 1HH1 ARG 600 HH11 ARG 600 -9.320 12.890 24.165 348 2HH1 ARG 600 HH12 ARG 600 -10.152 11.506 24.806 349 1HH2 ARG 600 HH21 ARG 600 -10.169 9.813 21.803 350 2HH2 ARG 600 HH22 ARG 600 -10.639 9.794 23.498 351 H SER 601 H SER 601 -11.991 15.843 18.283 352 HA SER 601 HA SER 601 -13.639 14.010 16.880 353 1HB SER 601 HB2 SER 601 -13.297 16.999 16.400 354 2HB SER 601 HB3 SER 601 -14.658 16.008 15.843 355 HG SER 601 HG SER 601 -13.931 16.637 18.518 356 H HIS 602 H HIS 602 -11.228 16.323 15.554 357 HA HIS 602 HA HIS 602 -11.577 15.551 12.823 358 1HB HIS 602 HB2 HIS 602 -10.678 17.697 13.691 359 2HB HIS 602 HB3 HIS 602 -9.229 16.875 14.226 360 HD1 HIS 602 HD1 HIS 602 -10.332 18.949 11.499 361 HD2 HIS 602 HD2 HIS 602 -8.124 15.380 11.755 362 HE1 HIS 602 HE1 HIS 602 -9.026 18.753 9.317 363 H LEU 603 H LEU 603 -9.151 14.473 15.297 364 HA LEU 603 HA LEU 603 -7.770 12.714 13.503 365 1HB LEU 603 HB2 LEU 603 -7.967 12.712 16.539 366 2HB LEU 603 HB3 LEU 603 -6.940 11.618 15.622 367 HG LEU 603 HG LEU 603 -6.681 14.644 15.721 368 1HD1 LEU 603 HD11 LEU 603 -4.504 14.121 16.780 369 2HD1 LEU 603 HD12 LEU 603 -5.860 13.488 17.710 370 3HD1 LEU 603 HD13 LEU 603 -4.885 12.384 16.703 371 1HD2 LEU 603 HD21 LEU 603 -4.832 12.732 14.282 372 2HD2 LEU 603 HD22 LEU 603 -5.999 13.792 13.467 373 3HD2 LEU 603 HD23 LEU 603 -4.706 14.498 14.417 374 H VAL 604 H VAL 604 -10.600 12.020 15.626 375 HA VAL 604 HA VAL 604 -10.815 9.240 15.009 376 HB VAL 604 HB VAL 604 -12.875 11.380 15.610 377 1HG1 VAL 604 HG11 VAL 604 -14.080 9.755 14.175 378 2HG1 VAL 604 HG12 VAL 604 -13.501 8.423 15.207 379 3HG1 VAL 604 HG13 VAL 604 -14.597 9.679 15.842 380 1HG2 VAL 604 HG21 VAL 604 -13.122 10.150 17.705 381 2HG2 VAL 604 HG22 VAL 604 -12.018 8.882 17.132 382 3HG2 VAL 604 HG23 VAL 604 -11.413 10.518 17.451 383 H HIS 605 H HIS 605 -12.174 12.037 13.168 384 HA HIS 605 HA HIS 605 -13.260 10.398 11.094 385 1HB HIS 605 HB2 HIS 605 -13.894 12.775 11.647 386 2HB HIS 605 HB3 HIS 605 -12.395 13.308 10.886 387 HD1 HIS 605 HD1 HIS 605 -15.820 11.808 10.011 388 HD2 HIS 605 HD2 HIS 605 -12.284 13.152 8.163 389 HE1 HIS 605 HE1 HIS 605 -16.320 11.930 7.515 390 H LYS 606 H LYS 606 -10.126 12.068 11.333 391 HA LYS 606 HA LYS 606 -9.160 11.307 8.740 392 1HB LYS 606 HB2 LYS 606 -8.349 13.182 10.167 393 2HB LYS 606 HB3 LYS 606 -7.549 12.012 11.228 394 1HG LYS 606 HG2 LYS 606 -6.031 11.346 9.485 395 2HG LYS 606 HG3 LYS 606 -6.996 12.156 8.230 396 1HD LYS 606 HD2 LYS 606 -6.473 14.355 9.151 397 2HD LYS 606 HD3 LYS 606 -5.623 13.612 10.523 398 1HE LYS 606 HE2 LYS 606 -3.979 12.621 8.998 399 2HE LYS 606 HE3 LYS 606 -4.806 13.318 7.589 400 1HZ LYS 606 HZ1 LYS 606 -3.760 14.951 9.818 401 2HZ LYS 606 HZ2 LYS 606 -2.829 14.596 8.553 402 3HZ LYS 606 HZ3 LYS 606 -4.171 15.523 8.340 403 H LEU 607 H LEU 607 -8.981 9.622 11.852 404 HA LEU 607 HA LEU 607 -7.383 7.417 11.068 405 1HB LEU 607 HB2 LEU 607 -8.746 8.131 13.380 406 2HB LEU 607 HB3 LEU 607 -9.752 6.839 12.808 407 HG LEU 607 HG LEU 607 -7.636 5.383 12.789 408 1HD1 LEU 607 HD11 LEU 607 -6.577 7.684 14.518 409 2HD1 LEU 607 HD12 LEU 607 -5.800 6.109 14.299 410 3HD1 LEU 607 HD13 LEU 607 -5.936 7.246 12.933 411 1HD2 LEU 607 HD21 LEU 607 -8.545 6.575 15.420 412 2HD2 LEU 607 HD22 LEU 607 -9.335 5.239 14.552 413 3HD2 LEU 607 HD23 LEU 607 -7.693 5.030 15.208 414 H VAL 608 H VAL 608 -10.952 7.781 10.966 415 HA VAL 608 HA VAL 608 -11.590 5.387 9.593 416 HB VAL 608 HB VAL 608 -13.041 8.049 9.744 417 1HG1 VAL 608 HG11 VAL 608 -15.082 6.789 9.088 418 2HG1 VAL 608 HG12 VAL 608 -13.923 6.920 7.770 419 3HG1 VAL 608 HG13 VAL 608 -14.063 5.391 8.672 420 1HG2 VAL 608 HG21 VAL 608 -14.403 6.939 11.407 421 2HG2 VAL 608 HG22 VAL 608 -13.569 5.390 11.131 422 3HG2 VAL 608 HG23 VAL 608 -12.717 6.758 11.880 423 H GLN 609 H GLN 609 -10.945 8.634 8.134 424 HA GLN 609 HA GLN 609 -11.503 7.800 5.465 425 1HB GLN 609 HB2 GLN 609 -9.667 9.986 6.512 426 2HB GLN 609 HB3 GLN 609 -10.041 9.783 4.806 427 1HG GLN 609 HG2 GLN 609 -12.154 10.231 6.935 428 2HG GLN 609 HG3 GLN 609 -11.458 11.513 5.948 429 1HE2 GLN 609 HE22 GLN 609 -14.099 11.418 5.788 430 2HE2 GLN 609 HE21 GLN 609 -14.625 10.653 4.284 431 H ALA 610 H ALA 610 -8.442 7.545 7.299 432 HA ALA 610 HA ALA 610 -6.939 6.627 4.994 433 1HB ALA 610 HB1 ALA 610 -5.810 7.408 7.053 434 2HB ALA 610 HB2 ALA 610 -6.498 6.009 7.920 435 3HB ALA 610 HB3 ALA 610 -5.324 5.745 6.619 436 H ILE 611 H ILE 611 -8.718 4.935 7.627 437 HA ILE 611 HA ILE 611 -8.122 2.268 6.874 438 HB ILE 611 HB ILE 611 -10.552 3.380 8.329 439 1HG1 ILE 611 HG12 ILE 611 -8.143 1.977 9.548 440 2HG1 ILE 611 HG13 ILE 611 -8.134 3.695 9.299 441 1HG2 ILE 611 HG21 ILE 611 -10.663 0.962 9.242 442 2HG2 ILE 611 HG22 ILE 611 -11.192 1.198 7.575 443 3HG2 ILE 611 HG23 ILE 611 -9.592 0.516 7.915 444 1HD1 ILE 611 HD11 ILE 611 -10.242 3.885 10.685 445 2HD1 ILE 611 HD12 ILE 611 -10.051 2.164 11.090 446 3HD1 ILE 611 HD13 ILE 611 -8.804 3.342 11.552 447 H PHE 612 H PHE 612 -11.002 4.261 5.948 448 HA PHE 612 HA PHE 612 -11.047 2.781 3.379 449 1HB PHE 612 HB2 PHE 612 -12.599 1.603 4.720 450 2HB PHE 612 HB3 PHE 612 -13.389 3.073 5.243 451 HD1 PHE 612 HD1 PHE 612 -12.752 3.338 1.673 452 HD2 PHE 612 HD2 PHE 612 -15.337 1.461 4.575 453 HE1 PHE 612 HE1 PHE 612 -14.521 3.281 0.026 454 HE2 PHE 612 HE2 PHE 612 -17.108 1.291 2.840 455 HZ PHE 612 HZ PHE 612 -16.708 2.202 0.555 456 HA PRO 613 HA PRO 613 -11.365 7.234 2.318 457 1HB PRO 613 HB2 PRO 613 -10.383 6.142 -0.295 458 2HB PRO 613 HB3 PRO 613 -9.795 7.535 0.648 459 1HG PRO 613 HG2 PRO 613 -8.408 5.180 0.527 460 2HG PRO 613 HG3 PRO 613 -8.471 6.150 2.030 461 1HD PRO 613 HD2 PRO 613 -10.137 3.735 1.283 462 2HD PRO 613 HD3 PRO 613 -9.291 4.070 2.819 463 H THR 614 H THR 614 -13.592 7.190 2.424 464 HA THR 614 HA THR 614 -15.403 5.558 1.338 465 HB THR 614 HB THR 614 -15.774 7.316 3.030 466 HG1 THR 614 HG1 THR 614 -17.969 7.777 1.652 467 1HG2 THR 614 HG21 THR 614 -16.439 9.162 0.698 468 2HG2 THR 614 HG22 THR 614 -16.659 9.488 2.428 469 3HG2 THR 614 HG23 THR 614 -15.025 9.327 1.762 470 HA PRO 615 HA PRO 615 -15.764 6.252 -3.105 471 1HB PRO 615 HB2 PRO 615 -18.656 5.581 -2.945 472 2HB PRO 615 HB3 PRO 615 -17.357 4.722 -3.805 473 1HG PRO 615 HG2 PRO 615 -18.564 3.739 -1.527 474 2HG PRO 615 HG3 PRO 615 -16.838 3.421 -1.933 475 1HD PRO 615 HD2 PRO 615 -18.005 5.481 -0.078 476 2HD PRO 615 HD3 PRO 615 -16.620 4.414 0.188 477 H ASP 616 H ASP 616 -18.334 7.351 -0.963 478 HA ASP 616 HA ASP 616 -18.467 10.082 -2.072 479 1HB ASP 616 HB2 ASP 616 -20.771 8.097 -2.123 480 2HB ASP 616 HB3 ASP 616 -21.041 9.801 -2.236 481 HA PRO 617 HA PRO 617 -19.725 10.774 2.214 482 1HB PRO 617 HB2 PRO 617 -21.387 12.960 2.047 483 2HB PRO 617 HB3 PRO 617 -19.608 13.032 1.893 484 1HG PRO 617 HG2 PRO 617 -21.677 13.041 -0.298 485 2HG PRO 617 HG3 PRO 617 -20.179 14.013 -0.173 486 1HD PRO 617 HD2 PRO 617 -20.430 11.729 -1.688 487 2HD PRO 617 HD3 PRO 617 -18.874 12.218 -1.008 488 H ALA 618 H ALA 618 -22.094 10.245 -0.319 489 HA ALA 618 HA ALA 618 -24.357 9.544 1.271 490 1HB ALA 618 HB1 ALA 618 -23.487 8.617 -1.505 491 2HB ALA 618 HB2 ALA 618 -25.118 8.468 -0.822 492 3HB ALA 618 HB3 ALA 618 -24.441 10.075 -1.138 493 H ALA 619 H ALA 619 -21.344 7.814 0.866 494 HA ALA 619 HA ALA 619 -22.540 5.219 1.668 495 1HB ALA 619 HB1 ALA 619 -19.694 6.040 1.034 496 2HB ALA 619 HB2 ALA 619 -20.245 4.382 1.324 497 3HB ALA 619 HB3 ALA 619 -20.811 5.265 -0.106 498 H LEU 620 H LEU 620 -20.849 7.954 3.169 499 HA LEU 620 HA LEU 620 -19.945 6.711 5.555 500 1HB LEU 620 HB2 LEU 620 -20.933 9.538 5.052 501 2HB LEU 620 HB3 LEU 620 -20.102 9.007 6.499 502 HG LEU 620 HG LEU 620 -18.889 9.019 3.705 503 1HD1 LEU 620 HD11 LEU 620 -19.254 11.269 4.685 504 2HD1 LEU 620 HD12 LEU 620 -18.356 10.776 6.138 505 3HD1 LEU 620 HD13 LEU 620 -17.532 10.872 4.564 506 1HD2 LEU 620 HD21 LEU 620 -17.833 7.255 5.000 507 2HD2 LEU 620 HD22 LEU 620 -16.736 8.632 4.954 508 3HD2 LEU 620 HD23 LEU 620 -17.684 8.317 6.422 509 H LYS 621 H LYS 621 -23.177 7.695 4.634 510 HA LYS 621 HA LYS 621 -24.314 7.273 7.308 511 1HB LYS 621 HB2 LYS 621 -26.471 7.732 6.216 512 2HB LYS 621 HB3 LYS 621 -25.281 8.999 5.945 513 1HG LYS 621 HG2 LYS 621 -24.910 8.325 3.677 514 2HG LYS 621 HG3 LYS 621 -25.807 6.806 3.904 515 1HD LYS 621 HD2 LYS 621 -27.904 8.043 4.194 516 2HD LYS 621 HD3 LYS 621 -27.043 9.583 4.140 517 1HE LYS 621 HE2 LYS 621 -28.204 9.105 2.028 518 2HE LYS 621 HE3 LYS 621 -26.465 9.282 1.808 519 1HZ LYS 621 HZ1 LYS 621 -27.833 6.650 2.012 520 2HZ LYS 621 HZ2 LYS 621 -27.432 7.361 0.599 521 3HZ LYS 621 HZ3 LYS 621 -26.250 6.904 1.629 522 H ASP 622 H ASP 622 -23.273 5.004 5.068 523 HA ASP 622 HA ASP 622 -25.393 3.025 5.364 524 1HB ASP 622 HB2 ASP 622 -23.614 3.034 3.561 525 2HB ASP 622 HB3 ASP 622 -22.436 2.570 4.793 526 H ARG 623 H ARG 623 -25.744 1.656 7.058 527 HA ARG 623 HA ARG 623 -24.734 2.046 9.624 528 1HB ARG 623 HB2 ARG 623 -25.790 -0.044 10.229 529 2HB ARG 623 HB3 ARG 623 -26.801 0.834 9.080 530 1HG ARG 623 HG2 ARG 623 -25.868 -0.659 7.233 531 2HG ARG 623 HG3 ARG 623 -24.999 -1.558 8.485 532 1HD ARG 623 HD2 ARG 623 -26.938 -2.762 7.895 533 2HD ARG 623 HD3 ARG 623 -27.132 -2.186 9.547 534 HE ARG 623 HE ARG 623 -28.549 -1.210 7.094 535 1HH1 ARG 623 HH11 ARG 623 -28.400 -1.095 10.600 536 2HH1 ARG 623 HH12 ARG 623 -29.924 -0.261 10.719 537 1HH2 ARG 623 HH21 ARG 623 -30.474 -0.151 7.329 538 2HH2 ARG 623 HH22 ARG 623 -31.063 0.250 8.915 539 H ARG 624 H ARG 624 -23.319 -0.073 7.161 540 HA ARG 624 HA ARG 624 -21.396 -1.372 8.929 541 1HB ARG 624 HB2 ARG 624 -21.446 -0.972 5.913 542 2HB ARG 624 HB3 ARG 624 -20.312 -2.022 6.762 543 1HG ARG 624 HG2 ARG 624 -22.014 -3.514 7.492 544 2HG ARG 624 HG3 ARG 624 -23.323 -2.412 7.064 545 1HD ARG 624 HD2 ARG 624 -21.463 -3.676 5.032 546 2HD ARG 624 HD3 ARG 624 -23.047 -4.318 5.502 547 HE ARG 624 HE ARG 624 -23.300 -1.548 4.720 548 1HH1 ARG 624 HH11 ARG 624 -22.948 -4.738 3.286 549 2HH1 ARG 624 HH12 ARG 624 -23.719 -4.252 1.802 550 1HH2 ARG 624 HH21 ARG 624 -24.242 -0.993 2.811 551 2HH2 ARG 624 HH22 ARG 624 -24.435 -2.182 1.540 552 H MET 625 H MET 625 -21.296 1.591 6.970 553 HA MET 625 HA MET 625 -18.497 2.131 7.582 554 1HB MET 625 HB2 MET 625 -19.832 3.042 5.556 555 2HB MET 625 HB3 MET 625 -20.562 4.175 6.694 556 1HG MET 625 HG2 MET 625 -18.655 5.165 5.537 557 2HG MET 625 HG3 MET 625 -18.315 5.037 7.267 558 1HE MET 625 HE1 MET 625 -15.908 5.703 5.246 559 2HE MET 625 HE2 MET 625 -15.887 5.499 7.013 560 3HE MET 625 HE3 MET 625 -14.709 4.630 6.006 561 H GLU 626 H GLU 626 -21.665 3.141 8.987 562 HA GLU 626 HA GLU 626 -20.598 4.683 11.120 563 1HB GLU 626 HB2 GLU 626 -23.137 3.023 11.110 564 2HB GLU 626 HB3 GLU 626 -22.689 4.239 12.304 565 1HG GLU 626 HG2 GLU 626 -22.566 5.933 10.426 566 2HG GLU 626 HG3 GLU 626 -23.287 4.728 9.363 567 H ASN 627 H ASN 627 -21.011 1.143 10.894 568 HA ASN 627 HA ASN 627 -20.106 0.619 13.587 569 1HB ASN 627 HB2 ASN 627 -20.015 -1.173 11.117 570 2HB ASN 627 HB3 ASN 627 -19.657 -1.686 12.764 571 1HD2 ASN 627 HD22 ASN 627 -21.732 -0.511 14.266 572 2HD2 ASN 627 HD21 ASN 627 -23.222 -1.253 13.716 573 H LEU 628 H LEU 628 -18.265 0.937 10.497 574 HA LEU 628 HA LEU 628 -15.697 0.483 11.702 575 1HB LEU 628 HB2 LEU 628 -15.811 0.390 9.328 576 2HB LEU 628 HB3 LEU 628 -16.610 1.947 9.212 577 HG LEU 628 HG LEU 628 -14.586 3.142 9.807 578 1HD1 LEU 628 HD11 LEU 628 -13.498 1.387 11.288 579 2HD1 LEU 628 HD12 LEU 628 -13.067 0.511 9.806 580 3HD1 LEU 628 HD13 LEU 628 -12.443 2.146 10.110 581 1HD2 LEU 628 HD21 LEU 628 -14.950 2.524 7.448 582 2HD2 LEU 628 HD22 LEU 628 -13.233 2.643 7.839 583 3HD2 LEU 628 HD23 LEU 628 -14.007 1.046 7.676 584 H VAL 629 H VAL 629 -17.465 3.522 11.125 585 HA VAL 629 HA VAL 629 -15.778 5.347 12.453 586 HB VAL 629 HB VAL 629 -18.742 5.161 12.008 587 1HG1 VAL 629 HG11 VAL 629 -18.685 6.444 14.050 588 2HG1 VAL 629 HG12 VAL 629 -17.418 7.512 13.379 589 3HG1 VAL 629 HG13 VAL 629 -19.060 7.480 12.677 590 1HG2 VAL 629 HG21 VAL 629 -18.386 6.900 10.405 591 2HG2 VAL 629 HG22 VAL 629 -16.733 7.189 10.985 592 3HG2 VAL 629 HG23 VAL 629 -17.133 5.685 10.129 593 H ALA 630 H ALA 630 -18.271 3.259 13.990 594 HA ALA 630 HA ALA 630 -17.823 4.209 16.647 595 1HB ALA 630 HB1 ALA 630 -18.954 1.548 15.675 596 2HB ALA 630 HB2 ALA 630 -19.141 2.240 17.298 597 3HB ALA 630 HB3 ALA 630 -19.875 3.053 15.902 598 H TYR 631 H TYR 631 -16.472 1.306 14.950 599 HA TYR 631 HA TYR 631 -14.844 0.460 17.166 600 1HB TYR 631 HB2 TYR 631 -14.772 -1.297 15.825 601 2HB TYR 631 HB3 TYR 631 -15.395 -0.397 14.491 602 HD1 TYR 631 HD1 TYR 631 -14.252 -0.739 12.569 603 HD2 TYR 631 HD2 TYR 631 -12.004 -0.747 16.238 604 HE1 TYR 631 HE1 TYR 631 -12.164 -1.109 11.301 605 HE2 TYR 631 HE2 TYR 631 -9.934 -1.038 14.959 606 HH TYR 631 HH TYR 631 -9.005 -1.354 12.854 607 H ALA 632 H ALA 632 -14.111 2.629 14.397 608 HA ALA 632 HA ALA 632 -11.453 3.294 15.128 609 1HB ALA 632 HB1 ALA 632 -11.823 5.298 13.756 610 2HB ALA 632 HB2 ALA 632 -12.477 3.851 12.960 611 3HB ALA 632 HB3 ALA 632 -13.572 5.000 13.760 612 H LYS 633 H LYS 633 -14.552 4.933 16.157 613 HA LYS 633 HA LYS 633 -13.315 6.812 17.937 614 1HB LYS 633 HB2 LYS 633 -16.055 5.493 17.879 615 2HB LYS 633 HB3 LYS 633 -15.590 6.584 19.189 616 1HG LYS 633 HG2 LYS 633 -15.120 8.378 17.628 617 2HG LYS 633 HG3 LYS 633 -15.524 7.341 16.245 618 1HD LYS 633 HD2 LYS 633 -17.836 7.075 17.100 619 2HD LYS 633 HD3 LYS 633 -17.446 8.123 18.483 620 1HE LYS 633 HE2 LYS 633 -16.940 9.990 16.933 621 2HE LYS 633 HE3 LYS 633 -17.297 8.949 15.548 622 1HZ LYS 633 HZ1 LYS 633 -19.213 10.323 16.128 623 2HZ LYS 633 HZ2 LYS 633 -19.590 8.756 16.379 624 3HZ LYS 633 HZ3 LYS 633 -19.255 9.730 17.647 625 H LYS 634 H LYS 634 -14.513 3.534 18.673 626 HA LYS 634 HA LYS 634 -13.904 3.572 21.450 627 1HB LYS 634 HB2 LYS 634 -15.406 1.957 20.306 628 2HB LYS 634 HB3 LYS 634 -13.997 1.166 19.579 629 1HG LYS 634 HG2 LYS 634 -13.163 0.539 21.812 630 2HG LYS 634 HG3 LYS 634 -14.433 1.495 22.585 631 1HD LYS 634 HD2 LYS 634 -14.990 -0.853 22.704 632 2HD LYS 634 HD3 LYS 634 -16.159 -0.016 21.674 633 1HE LYS 634 HE2 LYS 634 -15.004 -0.847 19.653 634 2HE LYS 634 HE3 LYS 634 -13.761 -1.613 20.654 635 1HZ LYS 634 HZ1 LYS 634 -15.468 -3.065 21.577 636 2HZ LYS 634 HZ2 LYS 634 -16.648 -2.329 20.720 637 3HZ LYS 634 HZ3 LYS 634 -15.496 -3.193 19.951 638 H VAL 635 H VAL 635 -11.864 2.383 18.742 639 HA VAL 635 HA VAL 635 -9.669 1.764 20.567 640 HB VAL 635 HB VAL 635 -9.638 1.855 17.534 641 1HG1 VAL 635 HG11 VAL 635 -7.708 0.736 19.622 642 2HG1 VAL 635 HG12 VAL 635 -7.668 0.258 17.922 643 3HG1 VAL 635 HG13 VAL 635 -7.356 1.945 18.368 644 1HG2 VAL 635 HG21 VAL 635 -9.952 -0.498 19.464 645 2HG2 VAL 635 HG22 VAL 635 -11.244 0.155 18.443 646 3HG2 VAL 635 HG23 VAL 635 -9.840 -0.604 17.695 647 H GLU 636 H GLU 636 -10.413 4.615 18.483 648 HA GLU 636 HA GLU 636 -7.966 5.990 18.831 649 1HB GLU 636 HB2 GLU 636 -9.836 6.673 17.350 650 2HB GLU 636 HB3 GLU 636 -10.793 7.139 18.734 651 1HG GLU 636 HG2 GLU 636 -8.070 8.337 18.061 652 2HG GLU 636 HG3 GLU 636 -9.562 8.953 17.388 653 H GLY 637 H GLY 637 -10.818 5.907 21.006 654 1HA GLY 637 HA2 GLY 637 -9.710 7.484 23.117 655 2HA GLY 637 HA3 GLY 637 -11.031 6.318 23.253 656 H ASP 638 H ASP 638 -9.174 4.074 22.300 657 HA ASP 638 HA ASP 638 -8.100 3.406 24.964 658 1HB ASP 638 HB2 ASP 638 -9.379 1.785 23.525 659 2HB ASP 638 HB3 ASP 638 -8.045 1.811 22.371 660 H MET 639 H MET 639 -6.859 4.182 21.716 661 HA MET 639 HA MET 639 -4.042 3.836 22.293 662 1HB MET 639 HB2 MET 639 -5.526 5.552 20.257 663 2HB MET 639 HB3 MET 639 -3.774 5.325 20.271 664 1HG MET 639 HG2 MET 639 -5.798 3.071 19.988 665 2HG MET 639 HG3 MET 639 -4.998 3.851 18.632 666 1HE MET 639 HE1 MET 639 -4.538 1.176 18.054 667 2HE MET 639 HE2 MET 639 -3.537 0.121 19.075 668 3HE MET 639 HE3 MET 639 -5.145 0.629 19.635 669 H TYR 640 H TYR 640 -6.301 6.575 22.584 670 HA TYR 640 HA TYR 640 -4.499 8.539 23.631 671 1HB TYR 640 HB2 TYR 640 -6.742 8.923 22.713 672 2HB TYR 640 HB3 TYR 640 -7.470 8.051 24.031 673 HD1 TYR 640 HD1 TYR 640 -5.727 11.168 23.046 674 HD2 TYR 640 HD2 TYR 640 -7.774 9.087 26.223 675 HE1 TYR 640 HE1 TYR 640 -5.960 13.308 24.290 676 HE2 TYR 640 HE2 TYR 640 -8.023 11.239 27.462 677 HH TYR 640 HH TYR 640 -6.841 14.349 26.130 678 H GLU 641 H GLU 641 -6.662 6.207 25.436 679 HA GLU 641 HA GLU 641 -5.534 6.983 27.938 680 1HB GLU 641 HB2 GLU 641 -7.288 4.717 27.032 681 2HB GLU 641 HB3 GLU 641 -6.606 4.688 28.653 682 1HG GLU 641 HG2 GLU 641 -8.158 7.081 27.597 683 2HG GLU 641 HG3 GLU 641 -8.919 5.725 28.413 684 H SER 642 H SER 642 -4.321 4.774 25.573 685 HA SER 642 HA SER 642 -2.505 3.348 27.365 686 1HB SER 642 HB2 SER 642 -2.501 3.694 24.342 687 2HB SER 642 HB3 SER 642 -1.411 2.626 25.242 688 HG SER 642 HG SER 642 -4.243 2.498 25.062 689 H ALA 643 H ALA 643 -2.323 6.454 25.727 690 HA ALA 643 HA ALA 643 0.575 6.488 25.590 691 1HB ALA 643 HB1 ALA 643 -1.541 8.578 24.975 692 2HB ALA 643 HB2 ALA 643 0.174 8.675 24.524 693 3HB ALA 643 HB3 ALA 643 -0.864 7.416 23.829 694 H ASN 644 H ASN 644 1.930 7.940 26.455 695 HA ASN 644 HA ASN 644 1.222 9.302 29.024 696 1HB ASN 644 HB2 ASN 644 3.910 8.241 28.055 697 2HB ASN 644 HB3 ASN 644 3.540 8.872 29.659 698 1HD2 ASN 644 HD22 ASN 644 3.014 6.209 27.417 699 2HD2 ASN 644 HD21 ASN 644 2.333 5.101 28.599 700 H SER 645 H SER 645 1.891 9.998 25.845 701 HA SER 645 HA SER 645 2.103 12.851 26.445 702 1HB SER 645 HB2 SER 645 4.024 13.340 25.100 703 2HB SER 645 HB3 SER 645 4.504 12.102 26.268 704 HG SER 645 HG SER 645 5.268 11.515 24.252 705 H ARG 646 H ARG 646 1.678 14.209 24.538 706 HA ARG 646 HA ARG 646 -0.362 13.243 22.784 707 1HB ARG 646 HB2 ARG 646 0.043 15.641 23.431 708 2HB ARG 646 HB3 ARG 646 1.454 15.656 22.354 709 1HG ARG 646 HG2 ARG 646 -0.043 15.163 20.411 710 2HG ARG 646 HG3 ARG 646 -1.413 15.051 21.515 711 1HD ARG 646 HD2 ARG 646 -1.685 17.180 20.714 712 2HD ARG 646 HD3 ARG 646 -0.785 17.508 22.187 713 HE ARG 646 HE ARG 646 0.069 17.842 19.371 714 1HH1 ARG 646 HH22 ARG 646 1.320 17.934 22.663 715 2HH1 ARG 646 HH21 ARG 646 2.624 18.984 22.180 716 1HH2 ARG 646 HH11 ARG 646 1.599 19.128 18.882 717 2HH2 ARG 646 HH12 ARG 646 2.794 19.662 20.057 718 H ASP 647 H ASP 647 3.116 13.600 22.265 719 HA ASP 647 HA ASP 647 3.214 12.837 19.509 720 1HB ASP 647 HB2 ASP 647 5.044 13.955 20.731 721 2HB ASP 647 HB3 ASP 647 5.271 12.521 21.731 722 H GLU 648 H GLU 648 3.455 10.831 22.513 723 HA GLU 648 HA GLU 648 3.744 8.336 21.097 724 1HB GLU 648 HB2 GLU 648 4.420 8.707 23.443 725 2HB GLU 648 HB3 GLU 648 2.721 8.870 23.914 726 1HG GLU 648 HG2 GLU 648 2.276 6.557 23.249 727 2HG GLU 648 HG3 GLU 648 3.901 6.401 22.565 728 H TYR 649 H TYR 649 0.855 10.072 22.338 729 HA TYR 649 HA TYR 649 -1.121 8.133 21.656 730 1HB TYR 649 HB2 TYR 649 -1.876 9.837 23.005 731 2HB TYR 649 HB3 TYR 649 -1.008 11.082 22.144 732 HD1 TYR 649 HD1 TYR 649 -2.169 12.577 20.837 733 HD2 TYR 649 HD2 TYR 649 -3.833 8.656 21.519 734 HE1 TYR 649 HE1 TYR 649 -4.266 13.274 19.725 735 HE2 TYR 649 HE2 TYR 649 -5.974 9.384 20.466 736 HH TYR 649 HH TYR 649 -7.158 11.128 19.591 737 H TYR 650 H TYR 650 -0.110 10.989 19.664 738 HA TYR 650 HA TYR 650 -1.269 10.228 17.218 739 1HB TYR 650 HB2 TYR 650 1.299 11.670 17.985 740 2HB TYR 650 HB3 TYR 650 1.027 11.239 16.313 741 HD1 TYR 650 HD1 TYR 650 -1.509 11.759 15.480 742 HD2 TYR 650 HD2 TYR 650 0.794 13.930 18.406 743 HE1 TYR 650 HE1 TYR 650 -2.667 13.846 14.837 744 HE2 TYR 650 HE2 TYR 650 -0.390 16.030 17.775 745 HH TYR 650 HH TYR 650 -1.885 16.991 16.383 746 H HIS 651 H HIS 651 1.987 9.153 18.421 747 HA HIS 651 HA HIS 651 2.555 7.603 16.112 748 1HB HIS 651 HB2 HIS 651 4.202 8.353 17.825 749 2HB HIS 651 HB3 HIS 651 3.565 7.140 18.940 750 HD1 HIS 651 HD1 HIS 651 5.401 7.343 15.529 751 HD2 HIS 651 HD2 HIS 651 4.467 4.654 18.631 752 HE1 HIS 651 HE1 HIS 651 6.696 5.203 15.031 753 H LEU 652 H LEU 652 0.872 6.634 19.129 754 HA LEU 652 HA LEU 652 0.516 3.870 18.426 755 1HB LEU 652 HB2 LEU 652 -0.873 5.802 20.315 756 2HB LEU 652 HB3 LEU 652 -1.420 4.147 20.141 757 HG LEU 652 HG LEU 652 1.436 4.840 20.942 758 1HD1 LEU 652 HD11 LEU 652 -0.978 4.138 22.660 759 2HD1 LEU 652 HD12 LEU 652 0.701 4.263 23.242 760 3HD1 LEU 652 HD13 LEU 652 -0.127 5.694 22.612 761 1HD2 LEU 652 HD21 LEU 652 1.451 2.512 21.784 762 2HD2 LEU 652 HD22 LEU 652 -0.183 2.262 21.129 763 3HD2 LEU 652 HD23 LEU 652 1.190 2.559 20.040 764 H LEU 653 H LEU 653 -1.623 6.729 17.870 765 HA LEU 653 HA LEU 653 -3.664 5.303 16.416 766 1HB LEU 653 HB2 LEU 653 -2.649 8.170 16.123 767 2HB LEU 653 HB3 LEU 653 -4.053 7.526 15.298 768 HG LEU 653 HG LEU 653 -3.775 7.958 18.293 769 1HD1 LEU 653 HD11 LEU 653 -5.609 9.589 17.852 770 2HD1 LEU 653 HD12 LEU 653 -4.103 10.000 17.016 771 3HD1 LEU 653 HD13 LEU 653 -5.455 9.272 16.117 772 1HD2 LEU 653 HD21 LEU 653 -6.204 6.936 16.768 773 2HD2 LEU 653 HD22 LEU 653 -5.182 5.949 17.831 774 3HD2 LEU 653 HD23 LEU 653 -6.083 7.303 18.507 775 H ALA 654 H ALA 654 -0.696 6.950 15.251 776 HA ALA 654 HA ALA 654 -1.115 6.355 12.524 777 1HB ALA 654 HB1 ALA 654 1.252 7.047 12.272 778 2HB ALA 654 HB2 ALA 654 0.351 8.154 13.321 779 3HB ALA 654 HB3 ALA 654 1.467 6.963 14.031 780 H GLU 655 H GLU 655 0.593 4.459 15.048 781 HA GLU 655 HA GLU 655 1.654 2.450 13.315 782 1HB GLU 655 HB2 GLU 655 2.401 2.815 15.628 783 2HB GLU 655 HB3 GLU 655 0.833 2.267 16.245 784 1HG GLU 655 HG2 GLU 655 1.225 0.024 15.314 785 2HG GLU 655 HG3 GLU 655 2.707 0.577 14.531 786 H LYS 656 H LYS 656 -1.513 2.560 15.071 787 HA LYS 656 HA LYS 656 -2.565 0.086 13.996 788 1HB LYS 656 HB2 LYS 656 -3.664 1.075 15.856 789 2HB LYS 656 HB3 LYS 656 -3.832 2.647 15.065 790 1HG LYS 656 HG2 LYS 656 -5.490 1.796 13.516 791 2HG LYS 656 HG3 LYS 656 -5.225 0.135 14.068 792 1HD LYS 656 HD2 LYS 656 -6.025 0.816 16.337 793 2HD LYS 656 HD3 LYS 656 -6.398 2.430 15.721 794 1HE LYS 656 HE2 LYS 656 -7.545 -0.162 14.578 795 2HE LYS 656 HE3 LYS 656 -8.340 0.746 15.863 796 1HZ LYS 656 HZ1 LYS 656 -9.223 1.313 13.668 797 2HZ LYS 656 HZ2 LYS 656 -8.550 2.631 14.371 798 3HZ LYS 656 HZ3 LYS 656 -7.763 1.843 13.166 799 H ILE 657 H ILE 657 -2.716 3.436 12.779 800 HA ILE 657 HA ILE 657 -4.222 2.896 10.418 801 HB ILE 657 HB ILE 657 -2.295 5.036 11.302 802 1HG1 ILE 657 HG12 ILE 657 -4.694 4.686 12.203 803 2HG1 ILE 657 HG13 ILE 657 -4.213 6.297 11.729 804 1HG2 ILE 657 HG21 ILE 657 -3.586 4.946 8.560 805 2HG2 ILE 657 HG22 ILE 657 -2.975 6.429 9.335 806 3HG2 ILE 657 HG23 ILE 657 -1.867 5.105 8.972 807 1HD1 ILE 657 HD11 ILE 657 -6.525 5.401 10.962 808 2HD1 ILE 657 HD12 ILE 657 -5.513 6.292 9.818 809 3HD1 ILE 657 HD13 ILE 657 -5.638 4.508 9.737 810 H TYR 658 H TYR 658 -0.662 2.925 10.861 811 HA TYR 658 HA TYR 658 0.018 2.112 8.224 812 1HB TYR 658 HB2 TYR 658 1.556 3.104 9.864 813 2HB TYR 658 HB3 TYR 658 1.397 1.699 10.901 814 HD1 TYR 658 HD1 TYR 658 2.138 2.232 7.199 815 HD2 TYR 658 HD2 TYR 658 3.364 0.469 10.959 816 HE1 TYR 658 HE1 TYR 658 4.096 1.289 6.116 817 HE2 TYR 658 HE2 TYR 658 5.384 -0.462 9.844 818 HH TYR 658 HH TYR 658 6.566 -0.650 7.889 819 H LYS 659 H LYS 659 -0.341 0.102 11.165 820 HA LYS 659 HA LYS 659 -0.125 -2.496 10.203 821 1HB LYS 659 HB2 LYS 659 -0.350 -2.129 12.528 822 2HB LYS 659 HB3 LYS 659 -1.733 -1.100 12.320 823 1HG LYS 659 HG2 LYS 659 -2.579 -2.868 13.425 824 2HG LYS 659 HG3 LYS 659 -3.163 -3.111 11.795 825 1HD LYS 659 HD2 LYS 659 -0.699 -4.486 12.954 826 2HD LYS 659 HD3 LYS 659 -2.341 -5.127 13.098 827 1HE LYS 659 HE2 LYS 659 -2.545 -5.111 10.596 828 2HE LYS 659 HE3 LYS 659 -0.849 -4.638 10.482 829 1HZ LYS 659 HZ1 LYS 659 -1.804 -7.128 11.788 830 2HZ LYS 659 HZ2 LYS 659 -1.233 -7.055 10.266 831 3HZ LYS 659 HZ3 LYS 659 -0.236 -6.721 11.534 832 H ILE 660 H ILE 660 -3.147 -0.566 10.186 833 HA ILE 660 HA ILE 660 -4.675 -2.532 8.726 834 HB ILE 660 HB ILE 660 -5.027 0.437 9.264 835 1HG1 ILE 660 HG12 ILE 660 -6.581 -1.963 10.326 836 2HG1 ILE 660 HG13 ILE 660 -5.168 -1.322 11.140 837 1HG2 ILE 660 HG21 ILE 660 -7.403 0.153 8.486 838 2HG2 ILE 660 HG22 ILE 660 -6.234 0.083 7.192 839 3HG2 ILE 660 HG23 ILE 660 -6.970 -1.420 7.807 840 1HD1 ILE 660 HD11 ILE 660 -7.028 -0.403 12.239 841 2HD1 ILE 660 HD12 ILE 660 -6.339 0.920 11.275 842 3HD1 ILE 660 HD13 ILE 660 -7.816 0.075 10.730 843 H GLN 661 H GLN 661 -3.114 0.535 7.593 844 HA GLN 661 HA GLN 661 -4.047 0.235 4.962 845 1HB GLN 661 HB2 GLN 661 -3.149 2.318 6.181 846 2HB GLN 661 HB3 GLN 661 -1.537 1.745 5.736 847 1HG GLN 661 HG2 GLN 661 -2.203 3.360 4.096 848 2HG GLN 661 HG3 GLN 661 -2.334 1.797 3.300 849 1HE2 GLN 661 HE22 GLN 661 -4.167 4.486 4.735 850 2HE2 GLN 661 HE21 GLN 661 -5.738 3.951 4.141 851 H LYS 662 H LYS 662 -0.672 -0.578 6.144 852 HA LYS 662 HA LYS 662 0.043 -1.403 3.442 853 1HB LYS 662 HB2 LYS 662 2.149 -2.098 4.240 854 2HB LYS 662 HB3 LYS 662 1.766 -0.516 4.897 855 1HG LYS 662 HG2 LYS 662 1.522 -1.319 7.078 856 2HG LYS 662 HG3 LYS 662 1.281 -2.997 6.589 857 1HD LYS 662 HD2 LYS 662 3.868 -1.480 6.089 858 2HD LYS 662 HD3 LYS 662 3.559 -2.286 7.630 859 1HE LYS 662 HE2 LYS 662 3.538 -3.705 4.927 860 2HE LYS 662 HE3 LYS 662 4.947 -3.598 5.984 861 1HZ LYS 662 HZ1 LYS 662 3.685 -4.768 7.706 862 2HZ LYS 662 HZ2 LYS 662 2.383 -4.904 6.725 863 3HZ LYS 662 HZ3 LYS 662 3.773 -5.671 6.354 864 H GLU 663 H GLU 663 -1.501 -3.104 6.029 865 HA GLU 663 HA GLU 663 -1.011 -5.762 4.881 866 1HB GLU 663 HB2 GLU 663 -1.444 -5.347 7.300 867 2HB GLU 663 HB3 GLU 663 -3.111 -4.890 6.907 868 1HG GLU 663 HG2 GLU 663 -3.604 -7.106 6.087 869 2HG GLU 663 HG3 GLU 663 -1.898 -7.567 6.100 870 H LEU 664 H LEU 664 -3.785 -3.425 4.866 871 HA LEU 664 HA LEU 664 -5.470 -4.870 3.065 872 1HB LEU 664 HB2 LEU 664 -5.087 -2.008 3.914 873 2HB LEU 664 HB3 LEU 664 -5.977 -2.272 2.438 874 HG LEU 664 HG LEU 664 -7.726 -3.423 3.466 875 1HD1 LEU 664 HD11 LEU 664 -7.886 -4.077 5.796 876 2HD1 LEU 664 HD12 LEU 664 -6.542 -4.932 5.038 877 3HD1 LEU 664 HD13 LEU 664 -6.221 -3.548 6.106 878 1HD2 LEU 664 HD21 LEU 664 -8.403 -1.848 5.316 879 2HD2 LEU 664 HD22 LEU 664 -6.776 -1.162 5.258 880 3HD2 LEU 664 HD23 LEU 664 -7.834 -1.040 3.839 881 H GLU 665 H GLU 665 -2.793 -2.592 2.352 882 HA GLU 665 HA GLU 665 -2.940 -2.823 -0.499 883 1HB GLU 665 HB2 GLU 665 -0.749 -1.989 1.414 884 2HB GLU 665 HB3 GLU 665 -0.596 -1.853 -0.332 885 1HG GLU 665 HG2 GLU 665 -2.920 -0.554 1.152 886 2HG GLU 665 HG3 GLU 665 -1.362 0.229 0.961 887 H GLU 666 H GLU 666 -2.377 -5.382 1.443 888 HA GLU 666 HA GLU 666 -1.049 -6.790 -0.821 889 1HB GLU 666 HB2 GLU 666 0.560 -6.512 1.064 890 2HB GLU 666 HB3 GLU 666 -0.556 -7.389 2.123 891 1HG GLU 666 HG2 GLU 666 -0.345 -9.403 0.737 892 2HG GLU 666 HG3 GLU 666 0.595 -8.518 -0.465 893 H LYS 667 H LYS 667 -3.214 -7.215 2.014 894 HA LYS 667 HA LYS 667 -4.241 -9.746 1.175 895 1HB LYS 667 HB2 LYS 667 -5.524 -7.560 2.871 896 2HB LYS 667 HB3 LYS 667 -6.212 -9.163 2.660 897 1HG LYS 667 HG2 LYS 667 -3.578 -8.477 4.011 898 2HG LYS 667 HG3 LYS 667 -5.055 -9.053 4.766 899 1HD LYS 667 HD2 LYS 667 -3.103 -10.610 3.038 900 2HD LYS 667 HD3 LYS 667 -3.514 -10.855 4.736 901 1HE LYS 667 HE2 LYS 667 -5.885 -11.443 3.970 902 2HE LYS 667 HE3 LYS 667 -5.272 -11.401 2.310 903 1HZ LYS 667 HZ1 LYS 667 -4.399 -13.245 4.463 904 2HZ LYS 667 HZ2 LYS 667 -5.127 -13.648 3.049 905 3HZ LYS 667 HZ3 LYS 667 -3.595 -13.116 3.044 906 H ARG 668 H ARG 668 -5.182 -6.548 0.062 907 HA ARG 668 HA ARG 668 -7.499 -7.521 -1.486 908 1HB ARG 668 HB2 ARG 668 -5.995 -4.896 -1.356 909 2HB ARG 668 HB3 ARG 668 -7.304 -5.151 -2.498 910 1HG ARG 668 HG2 ARG 668 -8.958 -5.161 -0.931 911 2HG ARG 668 HG3 ARG 668 -7.962 -5.900 0.309 912 1HD ARG 668 HD2 ARG 668 -8.631 -3.658 0.952 913 2HD ARG 668 HD3 ARG 668 -6.902 -3.799 0.854 914 HE ARG 668 HE ARG 668 -8.698 -2.155 -0.766 915 1HH1 ARG 668 HH12 ARG 668 -5.346 -3.173 -0.396 916 2HH1 ARG 668 HH11 ARG 668 -4.769 -1.682 -1.152 917 1HH2 ARG 668 HH22 ARG 668 -7.826 -0.442 -1.902 918 2HH2 ARG 668 HH21 ARG 668 -6.088 -0.299 -2.017 919 H ARG 669 H ARG 669 -4.215 -7.912 -1.999 920 HA ARG 669 HA ARG 669 -4.548 -8.297 -4.970 921 1HB ARG 669 HB2 ARG 669 -2.970 -6.476 -4.176 922 2HB ARG 669 HB3 ARG 669 -2.084 -7.697 -3.281 923 1HG ARG 669 HG2 ARG 669 -1.851 -8.825 -5.731 924 2HG ARG 669 HG3 ARG 669 -2.199 -7.176 -6.250 925 1HD ARG 669 HD2 ARG 669 0.189 -7.415 -6.110 926 2HD ARG 669 HD3 ARG 669 -0.307 -6.408 -4.734 927 HE ARG 669 HE ARG 669 -0.234 -9.243 -4.053 928 1HH1 ARG 669 HH22 ARG 669 1.941 -6.507 -4.359 929 2HH1 ARG 669 HH21 ARG 669 3.115 -7.236 -3.297 930 1HH2 ARG 669 HH12 ARG 669 1.216 -10.076 -2.769 931 2HH2 ARG 669 HH11 ARG 669 2.712 -9.240 -2.392 932 H SER 670 H SER 670 -3.366 -9.693 -1.994 933 HA SER 670 HA SER 670 -2.832 -12.336 -3.280 934 1HB SER 670 HB2 SER 670 -1.243 -10.828 -1.166 935 2HB SER 670 HB3 SER 670 -0.928 -12.494 -1.678 936 HG SER 670 HG SER 670 -0.495 -11.741 -3.766 937 H ARG 671 H ARG 671 -4.618 -13.373 -2.652 938 HA ARG 671 HA ARG 671 -6.035 -13.330 -0.227 939 1HB ARG 671 HB2 ARG 671 -6.685 -14.441 -2.377 940 2HB ARG 671 HB3 ARG 671 -5.537 -15.739 -2.030 941 1HG ARG 671 HG2 ARG 671 -6.825 -16.275 0.059 942 2HG ARG 671 HG3 ARG 671 -7.991 -15.010 -0.354 943 1HD ARG 671 HD2 ARG 671 -7.324 -17.455 -2.050 944 2HD ARG 671 HD3 ARG 671 -8.711 -17.327 -0.958 945 HE ARG 671 HE ARG 671 -8.942 -15.127 -2.656 946 1HH1 ARG 671 HH22 ARG 671 -8.967 -18.602 -3.117 947 2HH1 ARG 671 HH21 ARG 671 -9.951 -18.496 -4.551 948 1HH2 ARG 671 HH11 ARG 671 -10.183 -15.064 -4.497 949 2HH2 ARG 671 HH12 ARG 671 -10.623 -16.541 -5.302 950 H LEU 672 H LEU 672 -3.018 -14.947 -0.867 951 HA LEU 672 HA LEU 672 -2.748 -16.897 1.077 952 1HB LEU 672 HB2 LEU 672 -0.645 -14.944 0.031 953 2HB LEU 672 HB3 LEU 672 -0.297 -16.377 0.960 954 HG LEU 672 HG LEU 672 0.240 -16.861 -1.252 955 1HD1 LEU 672 HD11 LEU 672 -2.443 -18.211 -0.777 956 2HD1 LEU 672 HD12 LEU 672 -1.095 -18.808 -1.766 957 3HD1 LEU 672 HD13 LEU 672 -0.908 -18.679 -0.009 958 1HD2 LEU 672 HD21 LEU 672 -1.161 -15.129 -2.381 959 2HD2 LEU 672 HD22 LEU 672 -1.153 -16.711 -3.173 960 3HD2 LEU 672 HD23 LEU 672 -2.565 -16.226 -2.230 961 1H SER 839 H1 SER 839 2.579 -6.928 21.261 962 2H SER 839 H2 SER 839 2.167 -5.358 21.457 963 3H SER 839 H3 SER 839 2.584 -6.268 22.758 964 HA SER 839 HA SER 839 0.659 -7.678 22.457 965 1HB SER 839 HB2 SER 839 0.532 -5.680 23.955 966 2HB SER 839 HB3 SER 839 -0.117 -4.738 22.597 967 HG SER 839 HG SER 839 -1.765 -5.619 23.936 968 H ASP 840 H ASP 840 -1.176 -8.259 21.266 969 HA ASP 840 HA ASP 840 -1.949 -6.789 18.841 970 1HB ASP 840 HB2 ASP 840 -0.088 -8.197 18.028 971 2HB ASP 840 HB3 ASP 840 -0.841 -9.629 18.731 972 H ALA 841 H ALA 841 -4.062 -7.176 18.261 973 HA ALA 841 HA ALA 841 -5.542 -9.524 19.128 974 1HB ALA 841 HB1 ALA 841 -6.319 -6.763 20.196 975 2HB ALA 841 HB2 ALA 841 -7.285 -8.247 20.358 976 3HB ALA 841 HB3 ALA 841 -5.716 -8.122 21.170 977 H GLY 842 H GLY 842 -7.416 -9.841 17.912 978 1HA GLY 842 HA2 GLY 842 -7.594 -8.746 15.314 979 2HA GLY 842 HA3 GLY 842 -8.851 -9.686 16.125 980 H ASN 843 H ASN 843 -9.071 -7.570 18.280 981 HA ASN 843 HA ASN 843 -11.186 -6.010 17.218 982 1HB ASN 843 HB2 ASN 843 -9.494 -5.553 19.718 983 2HB ASN 843 HB3 ASN 843 -11.060 -4.815 19.395 984 1HD2 ASN 843 HD22 ASN 843 -12.990 -6.189 19.422 985 2HD2 ASN 843 HD21 ASN 843 -12.914 -7.746 20.233 986 H ILE 844 H ILE 844 -7.779 -5.387 16.909 987 HA ILE 844 HA ILE 844 -8.050 -2.510 16.469 988 HB ILE 844 HB ILE 844 -5.762 -4.445 15.960 989 1HG1 ILE 844 HG12 ILE 844 -6.468 -2.393 18.114 990 2HG1 ILE 844 HG13 ILE 844 -6.237 -4.129 18.313 991 1HG2 ILE 844 HG21 ILE 844 -4.352 -2.421 15.601 992 2HG2 ILE 844 HG22 ILE 844 -5.564 -2.580 14.354 993 3HG2 ILE 844 HG23 ILE 844 -5.824 -1.422 15.680 994 1HD1 ILE 844 HD11 ILE 844 -4.344 -3.050 19.258 995 2HD1 ILE 844 HD12 ILE 844 -3.787 -3.772 17.733 996 3HD1 ILE 844 HD13 ILE 844 -4.110 -2.017 17.843 997 H LEU 845 H LEU 845 -8.692 -5.279 14.500 998 HA LEU 845 HA LEU 845 -9.840 -3.528 12.499 999 1HB LEU 845 HB2 LEU 845 -7.611 -3.684 11.560 1000 2HB LEU 845 HB3 LEU 845 -7.640 -5.440 11.659 1001 HG LEU 845 HG LEU 845 -9.380 -5.569 9.957 1002 1HD1 LEU 845 HD11 LEU 845 -10.688 -3.532 10.332 1003 2HD1 LEU 845 HD12 LEU 845 -9.312 -2.532 9.822 1004 3HD1 LEU 845 HD13 LEU 845 -10.132 -3.594 8.655 1005 1HD2 LEU 845 HD21 LEU 845 -8.121 -4.812 8.044 1006 2HD2 LEU 845 HD22 LEU 845 -7.191 -3.681 9.039 1007 3HD2 LEU 845 HD23 LEU 845 -7.000 -5.428 9.267 1008 HA PRO 846 HA PRO 846 -12.472 -6.972 14.149 1009 1HB PRO 846 HB2 PRO 846 -14.282 -4.992 12.749 1010 2HB PRO 846 HB3 PRO 846 -14.618 -5.894 14.242 1011 1HG PRO 846 HG2 PRO 846 -13.895 -3.344 14.378 1012 2HG PRO 846 HG3 PRO 846 -13.136 -4.523 15.491 1013 1HD PRO 846 HD2 PRO 846 -12.062 -3.375 12.922 1014 2HD PRO 846 HD3 PRO 846 -11.198 -3.665 14.463 1015 H SER 847 H SER 847 -13.066 -8.833 13.018 1016 HA SER 847 HA SER 847 -12.302 -9.206 10.386 1017 1HB SER 847 HB2 SER 847 -14.384 -10.839 11.878 1018 2HB SER 847 HB3 SER 847 -13.394 -11.375 10.505 1019 HG SER 847 HG SER 847 -12.504 -12.042 12.515 1020 H ASP 848 H ASP 848 -15.645 -8.473 11.463 1021 HA ASP 848 HA ASP 848 -16.869 -8.754 8.863 1022 1HB ASP 848 HB2 ASP 848 -18.092 -8.787 11.026 1023 2HB ASP 848 HB3 ASP 848 -17.697 -7.085 11.273 1024 H ILE 849 H ILE 849 -15.359 -6.007 10.549 1025 HA ILE 849 HA ILE 849 -16.015 -4.017 8.532 1026 HB ILE 849 HB ILE 849 -13.843 -3.955 10.659 1027 1HG1 ILE 849 HG12 ILE 849 -16.071 -4.265 11.707 1028 2HG1 ILE 849 HG13 ILE 849 -15.346 -2.716 12.074 1029 1HG2 ILE 849 HG21 ILE 849 -14.206 -1.433 10.350 1030 2HG2 ILE 849 HG22 ILE 849 -13.325 -2.281 9.074 1031 3HG2 ILE 849 HG23 ILE 849 -15.029 -1.839 8.838 1032 1HD1 ILE 849 HD11 ILE 849 -16.862 -1.635 10.417 1033 2HD1 ILE 849 HD12 ILE 849 -17.598 -3.227 10.094 1034 3HD1 ILE 849 HD13 ILE 849 -17.712 -2.499 11.709 1035 H MET 850 H MET 850 -13.147 -6.074 9.212 1036 HA MET 850 HA MET 850 -11.429 -5.154 7.183 1037 1HB MET 850 HB2 MET 850 -10.883 -6.850 8.954 1038 2HB MET 850 HB3 MET 850 -11.821 -8.045 8.066 1039 1HG MET 850 HG2 MET 850 -10.337 -7.675 6.074 1040 2HG MET 850 HG3 MET 850 -9.333 -6.610 7.039 1041 1HE MET 850 HE1 MET 850 -7.951 -7.516 9.237 1042 2HE MET 850 HE2 MET 850 -9.386 -8.306 9.932 1043 3HE MET 850 HE3 MET 850 -7.885 -9.223 9.710 1044 H ASP 851 H ASP 851 -13.847 -7.842 6.912 1045 HA ASP 851 HA ASP 851 -13.512 -8.306 4.152 1046 1HB ASP 851 HB2 ASP 851 -14.688 -9.787 5.733 1047 2HB ASP 851 HB3 ASP 851 -16.006 -8.623 5.865 1048 H PHE 852 H PHE 852 -15.765 -5.991 5.734 1049 HA PHE 852 HA PHE 852 -16.992 -4.982 3.359 1050 1HB PHE 852 HB2 PHE 852 -17.861 -4.654 5.625 1051 2HB PHE 852 HB3 PHE 852 -16.458 -3.704 6.067 1052 HD1 PHE 852 HD1 PHE 852 -19.351 -3.752 3.669 1053 HD2 PHE 852 HD2 PHE 852 -16.514 -1.354 5.862 1054 HE1 PHE 852 HE1 PHE 852 -20.595 -1.691 3.035 1055 HE2 PHE 852 HE2 PHE 852 -17.771 0.695 5.243 1056 HZ PHE 852 HZ PHE 852 -19.807 0.531 3.825 1057 H VAL 853 H VAL 853 -14.071 -3.793 5.122 1058 HA VAL 853 HA VAL 853 -13.536 -1.645 3.276 1059 HB VAL 853 HB VAL 853 -11.704 -3.031 5.303 1060 1HG1 VAL 853 HG11 VAL 853 -10.356 -0.934 5.118 1061 2HG1 VAL 853 HG12 VAL 853 -10.301 -1.891 3.631 1062 3HG1 VAL 853 HG13 VAL 853 -11.320 -0.438 3.722 1063 1HG2 VAL 853 HG21 VAL 853 -13.196 -0.373 5.387 1064 2HG2 VAL 853 HG22 VAL 853 -13.647 -1.804 6.297 1065 3HG2 VAL 853 HG23 VAL 853 -12.100 -1.018 6.634 1066 H LEU 854 H LEU 854 -12.286 -5.035 3.380 1067 HA LEU 854 HA LEU 854 -10.517 -4.700 1.151 1068 1HB LEU 854 HB2 LEU 854 -11.923 -7.302 1.833 1069 2HB LEU 854 HB3 LEU 854 -10.463 -7.058 0.896 1070 HG LEU 854 HG LEU 854 -10.816 -7.193 3.847 1071 1HD1 LEU 854 HD11 LEU 854 -8.710 -8.257 1.957 1072 2HD1 LEU 854 HD12 LEU 854 -8.876 -8.628 3.688 1073 3HD1 LEU 854 HD13 LEU 854 -10.135 -9.139 2.553 1074 1HD2 LEU 854 HD21 LEU 854 -8.620 -6.299 4.308 1075 2HD2 LEU 854 HD22 LEU 854 -8.399 -5.852 2.593 1076 3HD2 LEU 854 HD23 LEU 854 -9.619 -5.033 3.601 1077 H LYS 855 H LYS 855 -13.998 -5.427 1.270 1078 HA LYS 855 HA LYS 855 -14.234 -6.053 -1.557 1079 1HB LYS 855 HB2 LYS 855 -15.754 -6.871 0.252 1080 2HB LYS 855 HB3 LYS 855 -16.372 -5.225 0.460 1081 1HG LYS 855 HG2 LYS 855 -17.214 -5.256 -1.883 1082 2HG LYS 855 HG3 LYS 855 -16.524 -6.877 -2.104 1083 1HD LYS 855 HD2 LYS 855 -18.066 -7.740 -0.341 1084 2HD LYS 855 HD3 LYS 855 -18.662 -6.093 -0.076 1085 1HE LYS 855 HE2 LYS 855 -20.278 -7.064 -1.464 1086 2HE LYS 855 HE3 LYS 855 -19.342 -6.020 -2.523 1087 1HZ LYS 855 HZ1 LYS 855 -19.727 -8.193 -3.539 1088 2HZ LYS 855 HZ2 LYS 855 -18.127 -8.014 -3.282 1089 3HZ LYS 855 HZ3 LYS 855 -19.016 -8.971 -2.297 1090 H ASN 856 H ASN 856 -14.830 -3.090 0.340 1091 HA ASN 856 HA ASN 856 -15.958 -1.614 -1.909 1092 1HB ASN 856 HB2 ASN 856 -15.141 -0.917 0.927 1093 2HB ASN 856 HB3 ASN 856 -15.587 0.300 -0.255 1094 1HD2 ASN 856 HD22 ASN 856 -16.828 -2.293 1.729 1095 2HD2 ASN 856 HD21 ASN 856 -18.517 -1.891 1.439 1096 H THR 857 H THR 857 -12.804 -1.287 -0.180 1097 HA THR 857 HA THR 857 -12.084 1.061 -1.544 1098 HB THR 857 HB THR 857 -9.795 0.717 -0.690 1099 HG1 THR 857 HG1 THR 857 -10.816 -1.589 0.563 1100 1HG2 THR 857 HG21 THR 857 -12.052 0.236 1.304 1101 2HG2 THR 857 HG22 THR 857 -10.397 0.759 1.703 1102 3HG2 THR 857 HG23 THR 857 -11.443 1.791 0.711 1103 HA PRO 858 HA PRO 858 -9.359 -1.337 -4.693 1104 1HB PRO 858 HB2 PRO 858 -11.256 -3.567 -5.395 1105 2HB PRO 858 HB3 PRO 858 -9.465 -3.560 -5.399 1106 1HG PRO 858 HG2 PRO 858 -10.813 -4.763 -3.400 1107 2HG PRO 858 HG3 PRO 858 -9.392 -3.732 -3.017 1108 1HD PRO 858 HD2 PRO 858 -12.329 -2.978 -2.922 1109 2HD PRO 858 HD3 PRO 858 -11.072 -2.738 -1.678 1110 H SER 859 H SER 859 -12.723 -0.510 -4.800 1111 HA SER 859 HA SER 859 -12.613 0.002 -7.756 1112 1HB SER 859 HB2 SER 859 -14.866 -1.324 -6.197 1113 2HB SER 859 HB3 SER 859 -14.922 -0.888 -7.911 1114 HG SER 859 HG SER 859 -13.206 -2.346 -8.291 1115 H MET 860 H MET 860 -14.235 1.371 -8.611 1116 HA MET 860 HA MET 860 -15.875 3.063 -6.880 1117 1HB MET 860 HB2 MET 860 -13.709 4.248 -6.859 1118 2HB MET 860 HB3 MET 860 -13.643 4.213 -8.623 1119 1HG MET 860 HG2 MET 860 -14.314 6.407 -7.741 1120 2HG MET 860 HG3 MET 860 -15.544 5.707 -8.783 1121 1HE MET 860 HE1 MET 860 -17.627 7.852 -6.264 1122 2HE MET 860 HE2 MET 860 -16.016 8.220 -6.918 1123 3HE MET 860 HE3 MET 860 -17.266 7.517 -7.972 1124 H GLN 861 H GLN 861 -17.613 4.000 -8.035 1125 HA GLN 861 HA GLN 861 -18.546 2.411 -10.195 1126 1HB GLN 861 HB2 GLN 861 -19.831 3.652 -8.333 1127 2HB GLN 861 HB3 GLN 861 -19.732 5.075 -9.383 1128 1HG GLN 861 HG2 GLN 861 -20.805 3.650 -11.213 1129 2HG GLN 861 HG3 GLN 861 -20.978 2.359 -10.032 1130 1HE2 GLN 861 HE22 GLN 861 -23.025 2.287 -9.084 1131 2HE2 GLN 861 HE21 GLN 861 -24.050 3.699 -8.873 1132 H ALA 862 H ALA 862 -17.168 5.709 -10.267 1133 HA ALA 862 HA ALA 862 -16.648 5.514 -13.138 1134 1HB ALA 862 HB1 ALA 862 -18.567 7.625 -12.032 1135 2HB ALA 862 HB2 ALA 862 -17.917 7.589 -13.685 1136 3HB ALA 862 HB3 ALA 862 -18.996 6.298 -13.136 1137 H LEU 863 H LEU 863 -15.396 7.310 -13.952 1138 HA LEU 863 HA LEU 863 -14.367 9.374 -12.212 1139 1HB LEU 863 HB2 LEU 863 -12.089 8.842 -12.193 1140 2HB LEU 863 HB3 LEU 863 -12.905 7.403 -11.621 1141 HG LEU 863 HG LEU 863 -11.723 7.799 -14.416 1142 1HD1 LEU 863 HD11 LEU 863 -10.760 6.132 -12.058 1143 2HD1 LEU 863 HD12 LEU 863 -9.997 6.237 -13.661 1144 3HD1 LEU 863 HD13 LEU 863 -10.043 7.662 -12.612 1145 1HD2 LEU 863 HD21 LEU 863 -13.531 6.154 -14.567 1146 2HD2 LEU 863 HD22 LEU 863 -11.978 5.327 -14.640 1147 3HD2 LEU 863 HD23 LEU 863 -12.916 5.302 -13.128 1148 H GLY 864 H GLY 864 -12.968 10.916 -13.393 1149 1HA GLY 864 HA2 GLY 864 -12.149 10.938 -15.990 1150 2HA GLY 864 HA3 GLY 864 -13.857 11.353 -16.145 1151 H GLU 865 H GLU 865 -12.453 13.224 -17.126 1152 HA GLU 865 HA GLU 865 -11.469 15.250 -15.242 1153 1HB GLU 865 HB2 GLU 865 -12.053 15.365 -18.231 1154 2HB GLU 865 HB3 GLU 865 -11.246 16.626 -17.305 1155 1HG GLU 865 HG2 GLU 865 -10.191 13.799 -17.750 1156 2HG GLU 865 HG3 GLU 865 -9.658 15.249 -18.583 1157 H SER 866 H SER 866 -14.569 14.413 -16.525 1158 HA SER 866 HA SER 866 -15.850 16.758 -15.268 1159 1HB SER 866 HB2 SER 866 -16.987 17.444 -17.279 1160 2HB SER 866 HB3 SER 866 -15.265 17.360 -17.658 1161 HG SER 866 HG SER 866 -16.475 16.350 -19.282 1162 HA PRO 867 HA PRO 867 -19.356 13.993 -14.573 1163 1HB PRO 867 HB2 PRO 867 -21.040 16.181 -15.805 1164 2HB PRO 867 HB3 PRO 867 -21.328 15.255 -14.298 1165 1HG PRO 867 HG2 PRO 867 -20.332 17.758 -14.161 1166 2HG PRO 867 HG3 PRO 867 -19.599 16.466 -13.152 1167 1HD PRO 867 HD2 PRO 867 -18.628 17.559 -15.802 1168 2HD PRO 867 HD3 PRO 867 -17.700 17.241 -14.303 1169 H GLU 868 H GLU 868 -18.485 14.905 -17.757 1170 HA GLU 868 HA GLU 868 -20.379 12.955 -18.994 1171 1HB GLU 868 HB2 GLU 868 -20.937 15.485 -19.159 1172 2HB GLU 868 HB3 GLU 868 -19.593 15.578 -20.295 1173 1HG GLU 868 HG2 GLU 868 -20.748 13.995 -21.799 1174 2HG GLU 868 HG3 GLU 868 -21.978 13.688 -20.573 1175 H SER 869 H SER 869 -17.297 13.207 -18.268 1176 HA SER 869 HA SER 869 -15.751 12.805 -20.638 1177 1HB SER 869 HB2 SER 869 -15.423 11.832 -17.781 1178 2HB SER 869 HB3 SER 869 -14.212 11.561 -19.050 1179 HG SER 869 HG SER 869 -15.250 14.163 -18.631 Start of MODEL 7 1 1H LYS 291 H1 LYS 291 9.167 1.170 1.763 2 2H LYS 291 H2 LYS 291 10.475 0.884 2.715 3 3H LYS 291 H3 LYS 291 9.284 -0.235 2.589 4 HA LYS 291 HA LYS 291 7.686 1.244 3.653 5 1HB LYS 291 HB2 LYS 291 10.148 0.270 5.070 6 2HB LYS 291 HB3 LYS 291 9.181 1.464 5.918 7 1HG LYS 291 HG2 LYS 291 7.140 0.070 5.597 8 2HG LYS 291 HG3 LYS 291 8.144 -1.189 4.852 9 1HD LYS 291 HD2 LYS 291 9.463 -1.388 6.937 10 2HD LYS 291 HD3 LYS 291 8.516 -0.078 7.677 11 1HE LYS 291 HE2 LYS 291 6.448 -1.431 7.439 12 2HE LYS 291 HE3 LYS 291 7.384 -2.739 6.701 13 1HZ LYS 291 HZ1 LYS 291 8.642 -2.913 8.794 14 2HZ LYS 291 HZ2 LYS 291 7.749 -1.724 9.473 15 3HZ LYS 291 HZ3 LYS 291 7.051 -3.141 9.066 16 H GLU 292 H GLU 292 10.939 2.580 4.024 17 HA GLU 292 HA GLU 292 10.869 4.706 5.428 18 1HB GLU 292 HB2 GLU 292 12.097 4.880 2.651 19 2HB GLU 292 HB3 GLU 292 12.587 5.732 4.110 20 1HG GLU 292 HG2 GLU 292 14.166 4.089 4.076 21 2HG GLU 292 HG3 GLU 292 12.967 3.306 5.093 22 H LYS 293 H LYS 293 9.990 5.397 1.981 23 HA LYS 293 HA LYS 293 9.158 8.089 2.597 24 1HB LYS 293 HB2 LYS 293 9.990 7.326 0.384 25 2HB LYS 293 HB3 LYS 293 8.505 6.396 0.141 26 1HG LYS 293 HG2 LYS 293 7.164 8.464 0.207 27 2HG LYS 293 HG3 LYS 293 8.607 9.414 0.614 28 1HD LYS 293 HD2 LYS 293 9.636 8.820 -1.541 29 2HD LYS 293 HD3 LYS 293 8.230 7.847 -1.986 30 1HE LYS 293 HE2 LYS 293 8.093 10.831 -1.339 31 2HE LYS 293 HE3 LYS 293 8.392 10.208 -2.963 32 1HZ LYS 293 HZ1 LYS 293 5.915 9.740 -1.369 33 2HZ LYS 293 HZ2 LYS 293 6.062 10.637 -2.709 34 3HZ LYS 293 HZ3 LYS 293 6.241 9.020 -2.808 35 H ARG 294 H ARG 294 7.130 5.253 1.752 36 HA ARG 294 HA ARG 294 4.649 6.604 2.198 37 1HB ARG 294 HB2 ARG 294 4.862 4.620 0.787 38 2HB ARG 294 HB3 ARG 294 5.360 3.640 2.157 39 1HG ARG 294 HG2 ARG 294 3.058 3.189 1.435 40 2HG ARG 294 HG3 ARG 294 3.154 3.680 3.114 41 1HD ARG 294 HD2 ARG 294 1.183 4.598 1.918 42 2HD ARG 294 HD3 ARG 294 2.203 5.832 2.643 43 HE ARG 294 HE ARG 294 2.573 6.752 0.573 44 1HH1 ARG 294 HH11 ARG 294 1.221 3.532 -0.193 45 2HH1 ARG 294 HH12 ARG 294 1.277 3.935 -1.882 46 1HH2 ARG 294 HH22 ARG 294 2.453 7.130 -1.395 47 2HH2 ARG 294 HH21 ARG 294 1.917 5.943 -2.588 48 H ILE 295 H ILE 295 6.709 4.803 4.489 49 HA ILE 295 HA ILE 295 4.954 4.750 6.720 50 HB ILE 295 HB ILE 295 7.948 4.918 6.393 51 1HG1 ILE 295 HG12 ILE 295 6.708 2.757 6.173 52 2HG1 ILE 295 HG13 ILE 295 8.000 2.766 7.361 53 1HG2 ILE 295 HG21 ILE 295 6.590 5.233 9.092 54 2HG2 ILE 295 HG22 ILE 295 8.261 4.669 8.878 55 3HG2 ILE 295 HG23 ILE 295 7.816 6.283 8.351 56 1HD1 ILE 295 HD11 ILE 295 5.941 1.546 8.099 57 2HD1 ILE 295 HD12 ILE 295 6.463 2.814 9.213 58 3HD1 ILE 295 HD13 ILE 295 5.079 3.104 8.146 59 H LYS 296 H LYS 296 7.305 7.362 5.920 60 HA LYS 296 HA LYS 296 6.255 9.147 7.926 61 1HB LYS 296 HB2 LYS 296 8.567 9.209 6.970 62 2HB LYS 296 HB3 LYS 296 7.897 9.765 5.427 63 1HG LYS 296 HG2 LYS 296 7.053 11.823 6.527 64 2HG LYS 296 HG3 LYS 296 7.590 11.218 8.099 65 1HD LYS 296 HD2 LYS 296 9.156 12.873 7.276 66 2HD LYS 296 HD3 LYS 296 9.945 11.290 7.338 67 1HE LYS 296 HE2 LYS 296 9.604 11.014 4.895 68 2HE LYS 296 HE3 LYS 296 8.741 12.557 4.829 69 1HZ LYS 296 HZ1 LYS 296 11.054 12.829 4.168 70 2HZ LYS 296 HZ2 LYS 296 10.807 13.650 5.555 71 3HZ LYS 296 HZ3 LYS 296 11.599 12.221 5.581 72 H GLU 297 H GLU 297 5.619 8.826 4.455 73 HA GLU 297 HA GLU 297 3.914 11.041 4.026 74 1HB GLU 297 HB2 GLU 297 4.966 9.327 2.408 75 2HB GLU 297 HB3 GLU 297 3.619 8.269 2.811 76 1HG GLU 297 HG2 GLU 297 2.040 9.856 1.855 77 2HG GLU 297 HG3 GLU 297 3.345 11.042 1.665 78 H LEU 298 H LEU 298 2.958 7.713 5.077 79 HA LEU 298 HA LEU 298 0.176 8.469 5.393 80 1HB LEU 298 HB2 LEU 298 1.183 6.129 4.890 81 2HB LEU 298 HB3 LEU 298 1.615 6.050 6.595 82 HG LEU 298 HG LEU 298 -0.989 6.670 6.937 83 1HD1 LEU 298 HD11 LEU 298 -2.447 5.875 5.180 84 2HD1 LEU 298 HD12 LEU 298 -1.387 7.107 4.489 85 3HD1 LEU 298 HD13 LEU 298 -1.061 5.394 4.170 86 1HD2 LEU 298 HD21 LEU 298 -0.031 3.950 6.004 87 2HD2 LEU 298 HD22 LEU 298 -0.108 4.602 7.674 88 3HD2 LEU 298 HD23 LEU 298 -1.597 4.273 6.787 89 H GLU 299 H GLU 299 2.947 8.200 7.653 90 HA GLU 299 HA GLU 299 1.416 8.580 10.021 91 1HB GLU 299 HB2 GLU 299 3.715 7.673 9.919 92 2HB GLU 299 HB3 GLU 299 4.333 9.249 9.419 93 1HG GLU 299 HG2 GLU 299 3.799 10.270 11.520 94 2HG GLU 299 HG3 GLU 299 2.821 8.902 12.029 95 H LEU 300 H LEU 300 3.030 10.946 7.884 96 HA LEU 300 HA LEU 300 2.521 13.288 9.377 97 1HB LEU 300 HB2 LEU 300 4.172 13.044 7.570 98 2HB LEU 300 HB3 LEU 300 2.874 12.857 6.389 99 HG LEU 300 HG LEU 300 2.165 15.191 6.770 100 1HD1 LEU 300 HD11 LEU 300 2.801 15.549 9.110 101 2HD1 LEU 300 HD12 LEU 300 4.517 15.290 8.719 102 3HD1 LEU 300 HD13 LEU 300 3.650 16.712 8.094 103 1HD2 LEU 300 HD21 LEU 300 3.875 14.643 5.069 104 2HD2 LEU 300 HD22 LEU 300 4.123 16.260 5.755 105 3HD2 LEU 300 HD23 LEU 300 5.157 14.907 6.271 106 H LEU 301 H LEU 301 0.414 11.540 7.118 107 HA LEU 301 HA LEU 301 -1.560 13.541 6.692 108 1HB LEU 301 HB2 LEU 301 -1.667 10.510 6.756 109 2HB LEU 301 HB3 LEU 301 -3.097 11.452 6.457 110 HG LEU 301 HG LEU 301 -0.582 11.596 4.734 111 1HD1 LEU 301 HD11 LEU 301 -3.264 10.225 4.222 112 2HD1 LEU 301 HD12 LEU 301 -1.875 10.287 3.110 113 3HD1 LEU 301 HD13 LEU 301 -1.752 9.397 4.634 114 1HD2 LEU 301 HD21 LEU 301 -2.089 12.697 3.091 115 2HD2 LEU 301 HD22 LEU 301 -3.382 12.731 4.309 116 3HD2 LEU 301 HD23 LEU 301 -1.888 13.667 4.549 117 H LEU 302 H LEU 302 -1.217 11.301 9.469 118 HA LEU 302 HA LEU 302 -3.568 12.463 10.832 119 1HB LEU 302 HB2 LEU 302 -1.302 10.701 11.840 120 2HB LEU 302 HB3 LEU 302 -2.605 11.314 12.852 121 HG LEU 302 HG LEU 302 -2.929 9.397 10.531 122 1HD1 LEU 302 HD11 LEU 302 -1.949 8.497 12.626 123 2HD1 LEU 302 HD12 LEU 302 -3.322 9.133 13.542 124 3HD1 LEU 302 HD13 LEU 302 -3.568 7.841 12.351 125 1HD2 LEU 302 HD21 LEU 302 -4.966 10.779 10.685 126 2HD2 LEU 302 HD22 LEU 302 -5.271 9.168 11.337 127 3HD2 LEU 302 HD23 LEU 302 -5.015 10.525 12.454 128 H MET 303 H MET 303 -0.024 12.669 11.257 129 HA MET 303 HA MET 303 0.062 14.252 13.500 130 1HB MET 303 HB2 MET 303 1.938 13.046 12.355 131 2HB MET 303 HB3 MET 303 2.045 14.396 11.213 132 1HG MET 303 HG2 MET 303 2.447 15.934 13.159 133 2HG MET 303 HG3 MET 303 2.467 14.528 14.224 134 1HE MET 303 HE1 MET 303 4.140 12.341 12.500 135 2HE MET 303 HE2 MET 303 5.755 12.687 13.146 136 3HE MET 303 HE3 MET 303 4.348 12.697 14.232 137 H SER 304 H SER 304 -0.289 15.436 10.175 138 HA SER 304 HA SER 304 0.255 18.171 10.509 139 1HB SER 304 HB2 SER 304 -1.787 16.869 8.664 140 2HB SER 304 HB3 SER 304 -1.168 18.523 8.517 141 HG SER 304 HG SER 304 0.266 16.080 8.257 142 H THR 305 H THR 305 -2.634 16.475 11.608 143 HA THR 305 HA THR 305 -4.518 18.579 11.580 144 HB THR 305 HB THR 305 -4.282 16.484 13.764 145 HG1 THR 305 HG1 THR 305 -4.304 15.268 12.066 146 1HG2 THR 305 HG21 THR 305 -6.672 17.941 12.587 147 2HG2 THR 305 HG22 THR 305 -6.755 16.572 13.732 148 3HG2 THR 305 HG23 THR 305 -6.034 18.101 14.234 149 H GLU 306 H GLU 306 -2.005 17.920 14.087 150 HA GLU 306 HA GLU 306 -2.969 19.901 15.902 151 1HB GLU 306 HB2 GLU 306 -0.555 18.228 15.611 152 2HB GLU 306 HB3 GLU 306 -0.219 19.785 16.356 153 1HG GLU 306 HG2 GLU 306 -2.516 18.038 17.322 154 2HG GLU 306 HG3 GLU 306 -0.857 17.833 17.876 155 H ASN 307 H ASN 307 -1.057 20.238 12.952 156 HA ASN 307 HA ASN 307 -0.317 23.046 13.506 157 1HB ASN 307 HB2 ASN 307 -0.130 21.465 10.904 158 2HB ASN 307 HB3 ASN 307 0.640 23.004 11.273 159 1HD2 ASN 307 HD22 ASN 307 2.164 22.935 13.277 160 2HD2 ASN 307 HD21 ASN 307 3.167 21.485 13.376 161 H GLU 308 H GLU 308 -2.668 21.251 11.463 162 HA GLU 308 HA GLU 308 -3.977 23.473 10.253 163 1HB GLU 308 HB2 GLU 308 -5.070 20.754 11.093 164 2HB GLU 308 HB3 GLU 308 -5.944 21.920 10.102 165 1HG GLU 308 HG2 GLU 308 -4.213 21.815 8.371 166 2HG GLU 308 HG3 GLU 308 -3.259 20.700 9.333 167 H LEU 309 H LEU 309 -4.405 22.067 13.468 168 HA LEU 309 HA LEU 309 -6.547 23.938 14.231 169 1HB LEU 309 HB2 LEU 309 -5.177 21.533 15.441 170 2HB LEU 309 HB3 LEU 309 -6.047 22.622 16.494 171 HG LEU 309 HG LEU 309 -8.134 22.277 15.421 172 1HD1 LEU 309 HD11 LEU 309 -7.580 22.051 13.053 173 2HD1 LEU 309 HD12 LEU 309 -6.748 20.511 13.367 174 3HD1 LEU 309 HD13 LEU 309 -8.503 20.649 13.596 175 1HD2 LEU 309 HD21 LEU 309 -7.391 20.599 17.065 176 2HD2 LEU 309 HD22 LEU 309 -8.429 19.859 15.833 177 3HD2 LEU 309 HD23 LEU 309 -6.666 19.642 15.756 178 H LYS 310 H LYS 310 -3.524 24.727 13.694 179 HA LYS 310 HA LYS 310 -3.417 26.665 15.980 180 1HB LYS 310 HB2 LYS 310 -1.470 24.625 15.377 181 2HB LYS 310 HB3 LYS 310 -0.766 26.146 14.918 182 1HG LYS 310 HG2 LYS 310 -0.156 25.666 17.185 183 2HG LYS 310 HG3 LYS 310 -1.195 27.086 17.158 184 1HD LYS 310 HD2 LYS 310 -1.674 25.577 19.057 185 2HD LYS 310 HD3 LYS 310 -3.085 25.780 18.017 186 1HE LYS 310 HE2 LYS 310 -2.615 23.617 16.920 187 2HE LYS 310 HE3 LYS 310 -1.149 23.422 17.881 188 1HZ LYS 310 HZ1 LYS 310 -2.566 23.349 19.871 189 2HZ LYS 310 HZ2 LYS 310 -3.917 23.490 18.947 190 3HZ LYS 310 HZ3 LYS 310 -2.954 22.164 18.810 191 H GLY 311 H GLY 311 -2.405 26.135 12.571 192 1HA GLY 311 HA2 GLY 311 -3.403 28.217 11.284 193 2HA GLY 311 HA3 GLY 311 -2.190 29.092 12.210 194 H GLN 312 H GLN 312 -1.538 29.722 10.059 195 HA GLN 312 HA GLN 312 -0.245 27.888 8.221 196 1HB GLN 312 HB2 GLN 312 -0.253 30.931 8.354 197 2HB GLN 312 HB3 GLN 312 0.310 29.965 6.990 198 1HG GLN 312 HG2 GLN 312 -2.563 30.058 8.016 199 2HG GLN 312 HG3 GLN 312 -1.931 30.899 6.609 200 1HE2 GLN 312 HE22 GLN 312 -1.212 29.578 4.720 201 2HE2 GLN 312 HE21 GLN 312 -1.897 27.971 4.527 202 H GLN 313 H GLN 313 1.026 27.241 10.444 203 HA GLN 313 HA GLN 313 3.185 28.785 11.376 204 1HB GLN 313 HB2 GLN 313 2.787 25.767 11.351 205 2HB GLN 313 HB3 GLN 313 4.038 26.600 12.281 206 1HG GLN 313 HG2 GLN 313 2.296 27.893 13.493 207 2HG GLN 313 HG3 GLN 313 1.035 27.003 12.638 208 1HE2 GLN 313 HE22 GLN 313 2.746 27.046 15.535 209 2HE2 GLN 313 HE21 GLN 313 2.544 25.349 15.947 210 H ALA 314 H ALA 314 3.118 27.069 8.366 211 HA ALA 314 HA ALA 314 5.941 26.618 8.040 212 1HB ALA 314 HB1 ALA 314 3.706 26.901 5.985 213 2HB ALA 314 HB2 ALA 314 5.305 26.178 5.707 214 3HB ALA 314 HB3 ALA 314 4.168 25.398 6.821 215 H LEU 315 H LEU 315 4.150 29.576 7.906 216 HA LEU 315 HA LEU 315 5.606 31.061 5.938 217 1HB LEU 315 HB2 LEU 315 4.067 31.876 8.435 218 2HB LEU 315 HB3 LEU 315 4.740 33.043 7.309 219 HG LEU 315 HG LEU 315 2.679 30.939 6.515 220 1HD1 LEU 315 HD11 LEU 315 2.332 33.904 7.140 221 2HD1 LEU 315 HD12 LEU 315 1.071 32.795 6.552 222 3HD1 LEU 315 HD13 LEU 315 1.778 32.554 8.157 223 1HD2 LEU 315 HD21 LEU 315 3.727 33.421 5.083 224 2HD2 LEU 315 HD22 LEU 315 4.001 31.731 4.601 225 3HD2 LEU 315 HD23 LEU 315 2.371 32.408 4.537 226 1H GLY 586 H1 GLY 586 -8.162 2.712 30.693 227 2H GLY 586 H2 GLY 586 -8.668 3.147 32.194 228 3H GLY 586 H3 GLY 586 -8.593 4.267 30.990 229 1HA GLY 586 HA2 GLY 586 -6.252 2.877 32.114 230 2HA GLY 586 HA3 GLY 586 -6.228 4.157 30.883 231 H VAL 587 H VAL 587 -5.026 5.623 32.097 232 HA VAL 587 HA VAL 587 -6.348 6.896 34.450 233 HB VAL 587 HB VAL 587 -3.411 6.073 34.411 234 1HG1 VAL 587 HG11 VAL 587 -3.762 8.092 35.754 235 2HG1 VAL 587 HG12 VAL 587 -5.139 7.334 36.592 236 3HG1 VAL 587 HG13 VAL 587 -3.486 6.727 36.822 237 1HG2 VAL 587 HG21 VAL 587 -5.720 4.869 35.997 238 2HG2 VAL 587 HG22 VAL 587 -4.739 4.049 34.757 239 3HG2 VAL 587 HG23 VAL 587 -3.998 4.531 36.277 240 H ARG 588 H ARG 588 -6.026 9.058 34.595 241 HA ARG 588 HA ARG 588 -5.334 10.746 32.474 242 1HB ARG 588 HB2 ARG 588 -6.684 11.394 34.398 243 2HB ARG 588 HB3 ARG 588 -5.318 11.161 35.492 244 1HG ARG 588 HG2 ARG 588 -4.136 13.073 34.485 245 2HG ARG 588 HG3 ARG 588 -5.462 13.305 33.321 246 1HD ARG 588 HD2 ARG 588 -7.020 13.825 35.101 247 2HD ARG 588 HD3 ARG 588 -5.860 13.307 36.338 248 HE ARG 588 HE ARG 588 -4.768 15.480 34.779 249 1HH1 ARG 588 HH11 ARG 588 -7.064 14.909 37.374 250 2HH1 ARG 588 HH12 ARG 588 -6.768 16.471 38.088 251 1HH2 ARG 588 HH21 ARG 588 -4.457 17.415 35.703 252 2HH2 ARG 588 HH22 ARG 588 -5.322 17.870 37.165 253 H LYS 589 H LYS 589 -3.594 11.638 31.716 254 HA LYS 589 HA LYS 589 -0.960 11.612 33.138 255 1HB LYS 589 HB2 LYS 589 -1.513 10.743 30.284 256 2HB LYS 589 HB3 LYS 589 0.085 11.242 30.839 257 1HG LYS 589 HG2 LYS 589 0.205 9.485 32.461 258 2HG LYS 589 HG3 LYS 589 -1.476 9.018 32.224 259 1HD LYS 589 HD2 LYS 589 0.612 8.862 30.023 260 2HD LYS 589 HD3 LYS 589 0.289 7.532 31.129 261 1HE LYS 589 HE2 LYS 589 -1.824 8.797 29.317 262 2HE LYS 589 HE3 LYS 589 -0.876 7.367 28.907 263 1HZ LYS 589 HZ1 LYS 589 -2.802 7.573 31.153 264 2HZ LYS 589 HZ2 LYS 589 -2.951 6.648 29.817 265 3HZ LYS 589 HZ3 LYS 589 -1.802 6.289 30.920 266 H GLY 590 H GLY 590 0.322 13.424 32.738 267 1HA GLY 590 HA2 GLY 590 -0.970 15.830 32.845 268 2HA GLY 590 HA3 GLY 590 0.726 15.674 32.389 269 H TRP 591 H TRP 591 0.302 14.436 29.838 270 HA TRP 591 HA TRP 591 -0.035 16.721 28.175 271 1HB TRP 591 HB2 TRP 591 0.359 15.257 26.361 272 2HB TRP 591 HB3 TRP 591 1.387 14.758 27.695 273 HD1 TRP 591 HD1 TRP 591 1.007 12.355 28.711 274 HE1 TRP 591 HE1 TRP 591 -0.149 10.252 27.787 275 HE3 TRP 591 HE3 TRP 591 -1.786 14.528 25.000 276 HZ2 TRP 591 HZ2 TRP 591 -2.011 9.606 25.693 277 HZ3 TRP 591 HZ3 TRP 591 -3.131 13.110 23.459 278 HH2 TRP 591 HH2 TRP 591 -3.233 10.660 23.785 279 H HIS 592 H HIS 592 -2.495 14.554 29.374 280 HA HIS 592 HA HIS 592 -4.435 14.796 27.272 281 1HB HIS 592 HB2 HIS 592 -4.755 14.362 30.273 282 2HB HIS 592 HB3 HIS 592 -6.054 14.244 29.104 283 HD1 HIS 592 HD1 HIS 592 -6.604 11.743 29.290 284 HD2 HIS 592 HD2 HIS 592 -2.528 12.548 28.608 285 HE1 HIS 592 HE1 HIS 592 -5.483 9.485 28.917 286 H GLU 593 H GLU 593 -3.478 16.979 29.874 287 HA GLU 593 HA GLU 593 -5.764 18.752 29.753 288 1HB GLU 593 HB2 GLU 593 -2.963 19.043 30.914 289 2HB GLU 593 HB3 GLU 593 -4.282 20.188 31.161 290 1HG GLU 593 HG2 GLU 593 -5.642 18.515 32.286 291 2HG GLU 593 HG3 GLU 593 -4.475 17.244 31.931 292 H HIS 594 H HIS 594 -3.430 18.219 27.465 293 HA HIS 594 HA HIS 594 -3.547 20.986 26.349 294 1HB HIS 594 HB2 HIS 594 -1.373 18.878 26.069 295 2HB HIS 594 HB3 HIS 594 -1.386 20.450 25.275 296 HD1 HIS 594 HD1 HIS 594 -0.858 22.603 26.822 297 HD2 HIS 594 HD2 HIS 594 -0.824 18.862 28.748 298 HE1 HIS 594 HE1 HIS 594 0.189 22.989 29.114 299 H VAL 595 H VAL 595 -5.400 18.585 26.052 300 HA VAL 595 HA VAL 595 -5.496 18.456 23.056 301 HB VAL 595 HB VAL 595 -6.105 16.287 25.106 302 1HG1 VAL 595 HG11 VAL 595 -6.740 16.367 22.130 303 2HG1 VAL 595 HG12 VAL 595 -6.640 14.875 23.074 304 3HG1 VAL 595 HG13 VAL 595 -7.857 16.088 23.480 305 1HG2 VAL 595 HG21 VAL 595 -4.433 14.998 23.877 306 2HG2 VAL 595 HG22 VAL 595 -4.186 16.347 22.748 307 3HG2 VAL 595 HG23 VAL 595 -3.716 16.501 24.459 308 H THR 596 H THR 596 -7.347 19.159 22.174 309 HA THR 596 HA THR 596 -9.661 19.874 23.898 310 HB THR 596 HB THR 596 -10.482 21.054 21.901 311 HG1 THR 596 HG1 THR 596 -8.951 21.261 20.156 312 1HG2 THR 596 HG21 THR 596 -8.873 22.850 21.829 313 2HG2 THR 596 HG22 THR 596 -8.920 22.220 23.484 314 3HG2 THR 596 HG23 THR 596 -7.570 21.791 22.410 315 H GLN 597 H GLN 597 -11.826 19.287 23.274 316 HA GLN 597 HA GLN 597 -12.250 16.620 22.326 317 1HB GLN 597 HB2 GLN 597 -13.792 17.951 23.769 318 2HB GLN 597 HB3 GLN 597 -14.196 18.964 22.371 319 1HG GLN 597 HG2 GLN 597 -15.089 16.987 21.186 320 2HG GLN 597 HG3 GLN 597 -14.637 15.941 22.534 321 1HE2 GLN 597 HE22 GLN 597 -17.340 16.473 21.331 322 2HE2 GLN 597 HE21 GLN 597 -18.307 17.050 22.684 323 H ASP 598 H ASP 598 -12.070 19.732 20.605 324 HA ASP 598 HA ASP 598 -12.997 18.859 18.047 325 1HB ASP 598 HB2 ASP 598 -10.986 21.017 18.807 326 2HB ASP 598 HB3 ASP 598 -11.676 20.801 17.202 327 H LEU 599 H LEU 599 -9.656 18.858 19.452 328 HA LEU 599 HA LEU 599 -8.387 17.746 17.154 329 1HB LEU 599 HB2 LEU 599 -7.183 18.849 19.008 330 2HB LEU 599 HB3 LEU 599 -7.642 17.542 20.099 331 HG LEU 599 HG LEU 599 -6.303 15.936 18.783 332 1HD1 LEU 599 HD11 LEU 599 -6.395 17.006 16.537 333 2HD1 LEU 599 HD12 LEU 599 -5.404 18.353 17.157 334 3HD1 LEU 599 HD13 LEU 599 -4.736 16.717 17.057 335 1HD2 LEU 599 HD21 LEU 599 -4.083 16.798 19.372 336 2HD2 LEU 599 HD22 LEU 599 -4.741 18.442 19.534 337 3HD2 LEU 599 HD23 LEU 599 -5.244 17.161 20.653 338 H ARG 600 H ARG 600 -9.748 16.100 20.063 339 HA ARG 600 HA ARG 600 -9.296 13.400 19.232 340 1HB ARG 600 HB2 ARG 600 -11.643 14.542 20.823 341 2HB ARG 600 HB3 ARG 600 -11.225 12.841 20.718 342 1HG ARG 600 HG2 ARG 600 -9.486 15.016 21.954 343 2HG ARG 600 HG3 ARG 600 -10.516 13.907 22.839 344 1HD ARG 600 HD2 ARG 600 -8.088 13.175 21.151 345 2HD ARG 600 HD3 ARG 600 -8.145 13.226 22.910 346 HE ARG 600 HE ARG 600 -8.954 11.041 21.235 347 1HH1 ARG 600 HH11 ARG 600 -9.670 12.448 24.378 348 2HH1 ARG 600 HH12 ARG 600 -10.436 10.989 24.936 349 1HH2 ARG 600 HH21 ARG 600 -10.065 9.349 21.929 350 2HH2 ARG 600 HH22 ARG 600 -10.643 9.247 23.589 351 H SER 601 H SER 601 -12.182 15.426 18.651 352 HA SER 601 HA SER 601 -13.716 13.551 17.187 353 1HB SER 601 HB2 SER 601 -13.591 16.577 16.846 354 2HB SER 601 HB3 SER 601 -14.891 15.521 16.256 355 HG SER 601 HG SER 601 -14.164 16.072 18.947 356 H HIS 602 H HIS 602 -11.502 16.092 15.918 357 HA HIS 602 HA HIS 602 -11.874 15.370 13.166 358 1HB HIS 602 HB2 HIS 602 -11.137 17.575 14.026 359 2HB HIS 602 HB3 HIS 602 -9.614 16.874 14.533 360 HD1 HIS 602 HD1 HIS 602 -11.092 18.687 11.710 361 HD2 HIS 602 HD2 HIS 602 -8.263 15.615 12.176 362 HE1 HIS 602 HE1 HIS 602 -9.759 18.609 9.540 363 H LEU 603 H LEU 603 -9.322 14.390 15.578 364 HA LEU 603 HA LEU 603 -7.879 12.800 13.670 365 1HB LEU 603 HB2 LEU 603 -8.012 12.714 16.704 366 2HB LEU 603 HB3 LEU 603 -6.999 11.628 15.764 367 HG LEU 603 HG LEU 603 -6.763 14.668 15.759 368 1HD1 LEU 603 HD11 LEU 603 -4.622 14.230 16.917 369 2HD1 LEU 603 HD12 LEU 603 -5.999 13.629 17.843 370 3HD1 LEU 603 HD13 LEU 603 -4.981 12.489 16.937 371 1HD2 LEU 603 HD21 LEU 603 -6.036 13.817 13.580 372 2HD2 LEU 603 HD22 LEU 603 -4.670 14.328 14.545 373 3HD2 LEU 603 HD23 LEU 603 -5.019 12.590 14.382 374 H VAL 604 H VAL 604 -10.644 11.866 15.792 375 HA VAL 604 HA VAL 604 -10.753 9.123 14.971 376 HB VAL 604 HB VAL 604 -12.919 11.090 15.778 377 1HG1 VAL 604 HG11 VAL 604 -14.488 9.229 15.974 378 2HG1 VAL 604 HG12 VAL 604 -14.041 9.454 14.298 379 3HG1 VAL 604 HG13 VAL 604 -13.315 8.118 15.224 380 1HG2 VAL 604 HG21 VAL 604 -11.342 10.266 17.536 381 2HG2 VAL 604 HG22 VAL 604 -13.002 9.738 17.813 382 3HG2 VAL 604 HG23 VAL 604 -11.811 8.601 17.145 383 H HIS 605 H HIS 605 -12.320 11.992 13.429 384 HA HIS 605 HA HIS 605 -13.358 10.583 11.191 385 1HB HIS 605 HB2 HIS 605 -14.301 12.580 10.947 386 2HB HIS 605 HB3 HIS 605 -13.219 13.305 12.113 387 HD1 HIS 605 HD1 HIS 605 -10.820 14.292 10.983 388 HD2 HIS 605 HD2 HIS 605 -14.084 13.437 8.477 389 HE1 HIS 605 HE1 HIS 605 -10.384 15.540 8.794 390 H LYS 606 H LYS 606 -10.119 11.927 11.651 391 HA LYS 606 HA LYS 606 -9.268 11.467 8.926 392 1HB LYS 606 HB2 LYS 606 -8.516 13.088 10.905 393 2HB LYS 606 HB3 LYS 606 -7.360 11.815 11.231 394 1HG LYS 606 HG2 LYS 606 -6.437 12.121 8.920 395 2HG LYS 606 HG3 LYS 606 -7.793 13.208 8.532 396 1HD LYS 606 HD2 LYS 606 -6.985 14.575 10.613 397 2HD LYS 606 HD3 LYS 606 -5.468 13.717 10.410 398 1HE LYS 606 HE2 LYS 606 -4.940 14.869 8.487 399 2HE LYS 606 HE3 LYS 606 -6.628 15.032 7.964 400 1HZ LYS 606 HZ1 LYS 606 -5.523 17.155 8.806 401 2HZ LYS 606 HZ2 LYS 606 -6.943 16.761 9.565 402 3HZ LYS 606 HZ3 LYS 606 -5.518 16.463 10.288 403 H LEU 607 H LEU 607 -9.013 9.640 11.937 404 HA LEU 607 HA LEU 607 -7.410 7.483 11.023 405 1HB LEU 607 HB2 LEU 607 -8.683 8.138 13.416 406 2HB LEU 607 HB3 LEU 607 -9.675 6.820 12.852 407 HG LEU 607 HG LEU 607 -7.480 5.474 12.624 408 1HD1 LEU 607 HD11 LEU 607 -5.626 6.255 14.124 409 2HD1 LEU 607 HD12 LEU 607 -5.879 7.389 12.781 410 3HD1 LEU 607 HD13 LEU 607 -6.490 7.779 14.390 411 1HD2 LEU 607 HD21 LEU 607 -7.411 4.934 14.997 412 2HD2 LEU 607 HD22 LEU 607 -8.302 6.425 15.372 413 3HD2 LEU 607 HD23 LEU 607 -9.086 5.120 14.449 414 H VAL 608 H VAL 608 -10.974 7.918 10.976 415 HA VAL 608 HA VAL 608 -11.732 5.548 9.662 416 HB VAL 608 HB VAL 608 -12.994 8.304 9.621 417 1HG1 VAL 608 HG11 VAL 608 -13.866 7.099 7.663 418 2HG1 VAL 608 HG12 VAL 608 -14.198 5.680 8.688 419 3HG1 VAL 608 HG13 VAL 608 -15.089 7.197 8.928 420 1HG2 VAL 608 HG21 VAL 608 -14.512 7.372 11.265 421 2HG2 VAL 608 HG22 VAL 608 -13.786 5.756 11.092 422 3HG2 VAL 608 HG23 VAL 608 -12.867 7.079 11.828 423 H GLN 609 H GLN 609 -10.654 8.605 8.094 424 HA GLN 609 HA GLN 609 -11.130 7.765 5.418 425 1HB GLN 609 HB2 GLN 609 -8.788 9.512 6.229 426 2HB GLN 609 HB3 GLN 609 -9.611 9.457 4.679 427 1HG GLN 609 HG2 GLN 609 -10.561 10.708 7.241 428 2HG GLN 609 HG3 GLN 609 -10.340 11.457 5.680 429 1HE2 GLN 609 HE22 GLN 609 -12.681 10.329 7.789 430 2HE2 GLN 609 HE21 GLN 609 -13.983 10.087 6.615 431 H ALA 610 H ALA 610 -8.606 6.692 7.565 432 HA ALA 610 HA ALA 610 -7.186 5.335 5.324 433 1HB ALA 610 HB1 ALA 610 -5.786 6.914 6.489 434 2HB ALA 610 HB2 ALA 610 -6.215 6.208 8.060 435 3HB ALA 610 HB3 ALA 610 -5.265 5.265 6.882 436 H ILE 611 H ILE 611 -9.658 4.590 7.119 437 HA ILE 611 HA ILE 611 -8.830 1.744 7.570 438 HB ILE 611 HB ILE 611 -11.081 3.366 8.803 439 1HG1 ILE 611 HG12 ILE 611 -8.897 1.794 10.240 440 2HG1 ILE 611 HG13 ILE 611 -8.627 3.451 9.738 441 1HG2 ILE 611 HG21 ILE 611 -11.894 1.067 8.239 442 2HG2 ILE 611 HG22 ILE 611 -10.509 0.378 9.115 443 3HG2 ILE 611 HG23 ILE 611 -11.778 1.314 9.960 444 1HD1 ILE 611 HD11 ILE 611 -9.313 3.365 12.076 445 2HD1 ILE 611 HD12 ILE 611 -10.507 4.239 11.105 446 3HD1 ILE 611 HD13 ILE 611 -10.841 2.583 11.638 447 H PHE 612 H PHE 612 -11.440 3.854 6.284 448 HA PHE 612 HA PHE 612 -11.659 1.983 3.989 449 1HB PHE 612 HB2 PHE 612 -13.495 1.394 5.415 450 2HB PHE 612 HB3 PHE 612 -13.997 3.071 5.548 451 HD1 PHE 612 HD1 PHE 612 -12.965 1.803 2.183 452 HD2 PHE 612 HD2 PHE 612 -16.255 2.425 4.892 453 HE1 PHE 612 HE1 PHE 612 -14.575 1.423 0.329 454 HE2 PHE 612 HE2 PHE 612 -17.852 1.937 3.079 455 HZ PHE 612 HZ PHE 612 -17.022 1.375 0.819 456 HA PRO 613 HA PRO 613 -10.730 6.214 2.481 457 1HB PRO 613 HB2 PRO 613 -10.220 4.523 0.035 458 2HB PRO 613 HB3 PRO 613 -9.264 5.895 0.676 459 1HG PRO 613 HG2 PRO 613 -8.420 3.365 1.089 460 2HG PRO 613 HG3 PRO 613 -8.386 4.535 2.451 461 1HD PRO 613 HD2 PRO 613 -10.491 2.445 1.825 462 2HD PRO 613 HD3 PRO 613 -9.680 2.771 3.381 463 H THR 614 H THR 614 -13.281 4.272 1.899 464 HA THR 614 HA THR 614 -15.130 4.068 0.803 465 HB THR 614 HB THR 614 -16.496 6.092 0.329 466 HG1 THR 614 HG1 THR 614 -15.811 8.021 1.034 467 1HG2 THR 614 HG21 THR 614 -15.295 5.881 3.113 468 2HG2 THR 614 HG22 THR 614 -16.899 6.517 2.670 469 3HG2 THR 614 HG23 THR 614 -16.547 4.804 2.455 470 HA PRO 615 HA PRO 615 -14.934 3.967 -3.570 471 1HB PRO 615 HB2 PRO 615 -17.547 3.521 -4.287 472 2HB PRO 615 HB3 PRO 615 -16.544 2.297 -3.450 473 1HG PRO 615 HG2 PRO 615 -18.491 4.226 -2.172 474 2HG PRO 615 HG3 PRO 615 -18.402 2.442 -1.978 475 1HD PRO 615 HD2 PRO 615 -17.187 4.015 -0.171 476 2HD PRO 615 HD3 PRO 615 -16.354 2.571 -0.817 477 H ASP 616 H ASP 616 -17.090 6.159 -1.904 478 HA ASP 616 HA ASP 616 -16.945 8.378 -3.803 479 1HB ASP 616 HB2 ASP 616 -18.747 6.770 -4.625 480 2HB ASP 616 HB3 ASP 616 -19.556 6.998 -3.078 481 HA PRO 617 HA PRO 617 -17.403 10.225 0.239 482 1HB PRO 617 HB2 PRO 617 -18.402 12.764 -0.351 483 2HB PRO 617 HB3 PRO 617 -16.696 12.244 -0.443 484 1HG PRO 617 HG2 PRO 617 -18.682 12.576 -2.657 485 2HG PRO 617 HG3 PRO 617 -16.913 12.838 -2.687 486 1HD PRO 617 HD2 PRO 617 -18.227 10.631 -3.702 487 2HD PRO 617 HD3 PRO 617 -16.543 10.545 -3.211 488 H ALA 618 H ALA 618 -20.302 9.798 -1.726 489 HA ALA 618 HA ALA 618 -22.160 10.342 0.442 490 1HB ALA 618 HB1 ALA 618 -22.472 8.589 -2.029 491 2HB ALA 618 HB2 ALA 618 -23.774 9.184 -0.979 492 3HB ALA 618 HB3 ALA 618 -22.823 10.332 -1.939 493 H ALA 619 H ALA 619 -20.085 7.535 -0.334 494 HA ALA 619 HA ALA 619 -21.542 5.630 1.267 495 1HB ALA 619 HB1 ALA 619 -18.612 5.691 0.473 496 2HB ALA 619 HB2 ALA 619 -19.482 4.289 1.116 497 3HB ALA 619 HB3 ALA 619 -19.930 4.960 -0.462 498 H LEU 620 H LEU 620 -19.396 8.253 2.201 499 HA LEU 620 HA LEU 620 -18.778 7.450 4.888 500 1HB LEU 620 HB2 LEU 620 -19.215 10.201 3.663 501 2HB LEU 620 HB3 LEU 620 -18.522 9.908 5.237 502 HG LEU 620 HG LEU 620 -17.241 8.912 2.662 503 1HD1 LEU 620 HD11 LEU 620 -16.597 11.387 4.315 504 2HD1 LEU 620 HD12 LEU 620 -15.675 10.783 2.918 505 3HD1 LEU 620 HD13 LEU 620 -17.332 11.372 2.696 506 1HD2 LEU 620 HD21 LEU 620 -15.234 8.665 4.073 507 2HD2 LEU 620 HD22 LEU 620 -16.138 9.233 5.495 508 3HD2 LEU 620 HD23 LEU 620 -16.553 7.689 4.729 509 H LYS 621 H LYS 621 -21.693 8.692 3.386 510 HA LYS 621 HA LYS 621 -23.019 9.334 5.963 511 1HB LYS 621 HB2 LYS 621 -24.095 9.529 3.120 512 2HB LYS 621 HB3 LYS 621 -24.798 10.237 4.563 513 1HG LYS 621 HG2 LYS 621 -22.165 11.060 3.260 514 2HG LYS 621 HG3 LYS 621 -23.698 11.924 3.196 515 1HD LYS 621 HD2 LYS 621 -23.619 12.251 5.668 516 2HD LYS 621 HD3 LYS 621 -22.037 11.437 5.710 517 1HE LYS 621 HE2 LYS 621 -21.123 13.142 4.150 518 2HE LYS 621 HE3 LYS 621 -22.691 13.960 4.122 519 1HZ LYS 621 HZ1 LYS 621 -21.013 13.602 6.552 520 2HZ LYS 621 HZ2 LYS 621 -21.166 14.993 5.713 521 3HZ LYS 621 HZ3 LYS 621 -22.451 14.378 6.507 522 H ASP 622 H ASP 622 -22.683 6.548 4.067 523 HA ASP 622 HA ASP 622 -25.322 5.428 4.288 524 1HB ASP 622 HB2 ASP 622 -23.583 4.694 2.664 525 2HB ASP 622 HB3 ASP 622 -22.643 4.011 3.999 526 H ARG 623 H ARG 623 -26.204 3.990 5.766 527 HA ARG 623 HA ARG 623 -25.552 4.458 8.518 528 1HB ARG 623 HB2 ARG 623 -27.366 2.256 7.437 529 2HB ARG 623 HB3 ARG 623 -27.412 3.006 9.029 530 1HG ARG 623 HG2 ARG 623 -28.288 4.161 6.374 531 2HG ARG 623 HG3 ARG 623 -29.229 3.951 7.847 532 1HD ARG 623 HD2 ARG 623 -26.939 5.906 7.414 533 2HD ARG 623 HD3 ARG 623 -28.653 6.340 7.421 534 HE ARG 623 HE ARG 623 -26.921 5.766 9.753 535 1HH1 ARG 623 HH11 ARG 623 -30.305 6.111 8.843 536 2HH1 ARG 623 HH12 ARG 623 -30.775 6.347 10.505 537 1HH2 ARG 623 HH21 ARG 623 -27.523 6.032 11.669 538 2HH2 ARG 623 HH22 ARG 623 -29.205 6.324 12.132 539 H ARG 624 H ARG 624 -24.389 2.073 6.413 540 HA ARG 624 HA ARG 624 -23.471 0.213 8.556 541 1HB ARG 624 HB2 ARG 624 -23.031 0.265 5.545 542 2HB ARG 624 HB3 ARG 624 -22.096 -0.769 6.602 543 1HG ARG 624 HG2 ARG 624 -23.936 -2.009 5.636 544 2HG ARG 624 HG3 ARG 624 -24.023 -1.952 7.390 545 1HD ARG 624 HD2 ARG 624 -26.225 -1.785 6.416 546 2HD ARG 624 HD3 ARG 624 -25.843 -0.305 7.288 547 HE ARG 624 HE ARG 624 -25.184 0.616 4.941 548 1HH1 ARG 624 HH11 ARG 624 -27.872 -1.611 5.362 549 2HH1 ARG 624 HH12 ARG 624 -28.707 -0.972 3.971 550 1HH2 ARG 624 HH22 ARG 624 -26.278 1.372 3.231 551 2HH2 ARG 624 HH21 ARG 624 -27.821 0.672 2.795 552 H MET 625 H MET 625 -22.151 3.013 6.891 553 HA MET 625 HA MET 625 -19.402 2.567 7.551 554 1HB MET 625 HB2 MET 625 -20.743 4.418 6.020 555 2HB MET 625 HB3 MET 625 -20.363 5.396 7.436 556 1HG MET 625 HG2 MET 625 -18.399 3.748 5.786 557 2HG MET 625 HG3 MET 625 -18.676 5.469 5.595 558 1HE MET 625 HE1 MET 625 -15.085 4.548 6.957 559 2HE MET 625 HE2 MET 625 -16.123 4.549 5.513 560 3HE MET 625 HE3 MET 625 -15.632 6.086 6.250 561 H GLU 626 H GLU 626 -22.081 3.901 9.474 562 HA GLU 626 HA GLU 626 -20.720 4.960 11.650 563 1HB GLU 626 HB2 GLU 626 -23.314 3.381 11.664 564 2HB GLU 626 HB3 GLU 626 -22.710 4.384 12.987 565 1HG GLU 626 HG2 GLU 626 -22.687 6.361 11.421 566 2HG GLU 626 HG3 GLU 626 -23.461 5.353 10.197 567 H ASN 627 H ASN 627 -20.988 1.519 10.884 568 HA ASN 627 HA ASN 627 -20.110 0.533 13.482 569 1HB ASN 627 HB2 ASN 627 -19.845 -0.724 10.707 570 2HB ASN 627 HB3 ASN 627 -19.576 -1.542 12.239 571 1HD2 ASN 627 HD22 ASN 627 -21.931 -0.587 9.946 572 2HD2 ASN 627 HD21 ASN 627 -23.337 -1.193 10.839 573 H LEU 628 H LEU 628 -18.434 1.495 10.489 574 HA LEU 628 HA LEU 628 -15.759 0.782 11.382 575 1HB LEU 628 HB2 LEU 628 -16.619 2.748 9.233 576 2HB LEU 628 HB3 LEU 628 -15.022 2.046 9.426 577 HG LEU 628 HG LEU 628 -17.555 0.487 8.702 578 1HD1 LEU 628 HD11 LEU 628 -15.164 1.404 7.072 579 2HD1 LEU 628 HD12 LEU 628 -16.472 0.357 6.483 580 3HD1 LEU 628 HD13 LEU 628 -16.834 2.021 6.970 581 1HD2 LEU 628 HD21 LEU 628 -15.964 -0.963 9.855 582 2HD2 LEU 628 HD22 LEU 628 -15.942 -1.328 8.126 583 3HD2 LEU 628 HD23 LEU 628 -14.629 -0.365 8.838 584 H VAL 629 H VAL 629 -17.609 3.805 11.229 585 HA VAL 629 HA VAL 629 -15.804 5.594 12.484 586 HB VAL 629 HB VAL 629 -18.820 5.388 12.513 587 1HG1 VAL 629 HG11 VAL 629 -17.186 7.731 13.530 588 2HG1 VAL 629 HG12 VAL 629 -18.938 7.733 13.193 589 3HG1 VAL 629 HG13 VAL 629 -18.302 6.709 14.478 590 1HG2 VAL 629 HG21 VAL 629 -16.950 7.284 11.037 591 2HG2 VAL 629 HG22 VAL 629 -17.721 5.857 10.322 592 3HG2 VAL 629 HG23 VAL 629 -18.718 7.202 10.878 593 H ALA 630 H ALA 630 -18.211 3.457 14.146 594 HA ALA 630 HA ALA 630 -17.397 4.199 16.788 595 1HB ALA 630 HB1 ALA 630 -19.589 3.228 16.257 596 2HB ALA 630 HB2 ALA 630 -18.820 1.702 15.765 597 3HB ALA 630 HB3 ALA 630 -18.740 2.238 17.458 598 H TYR 631 H TYR 631 -16.388 1.462 14.691 599 HA TYR 631 HA TYR 631 -14.506 0.250 16.466 600 1HB TYR 631 HB2 TYR 631 -15.068 -0.985 14.607 601 2HB TYR 631 HB3 TYR 631 -14.982 0.373 13.505 602 HD1 TYR 631 HD1 TYR 631 -12.892 -2.139 15.322 603 HD2 TYR 631 HD2 TYR 631 -13.015 0.979 12.323 604 HE1 TYR 631 HE1 TYR 631 -10.630 -2.749 14.578 605 HE2 TYR 631 HE2 TYR 631 -10.713 0.299 11.580 606 HH TYR 631 HH TYR 631 -8.854 -2.200 13.207 607 H ALA 632 H ALA 632 -14.010 2.903 14.058 608 HA ALA 632 HA ALA 632 -11.293 3.393 14.692 609 1HB ALA 632 HB1 ALA 632 -11.637 5.530 13.569 610 2HB ALA 632 HB2 ALA 632 -12.477 4.243 12.681 611 3HB ALA 632 HB3 ALA 632 -13.397 5.364 13.706 612 H LYS 633 H LYS 633 -14.287 4.804 16.185 613 HA LYS 633 HA LYS 633 -12.922 6.481 18.083 614 1HB LYS 633 HB2 LYS 633 -15.626 5.087 18.191 615 2HB LYS 633 HB3 LYS 633 -15.030 6.117 19.492 616 1HG LYS 633 HG2 LYS 633 -14.815 8.015 17.973 617 2HG LYS 633 HG3 LYS 633 -15.367 7.027 16.608 618 1HD LYS 633 HD2 LYS 633 -17.542 6.658 17.774 619 2HD LYS 633 HD3 LYS 633 -16.984 7.693 19.108 620 1HE LYS 633 HE2 LYS 633 -16.699 9.580 17.503 621 2HE LYS 633 HE3 LYS 633 -17.277 8.548 16.189 622 1HZ LYS 633 HZ1 LYS 633 -19.063 9.936 17.084 623 2HZ LYS 633 HZ2 LYS 633 -19.412 8.366 17.364 624 3HZ LYS 633 HZ3 LYS 633 -18.873 9.317 18.580 625 H LYS 634 H LYS 634 -13.851 3.034 18.397 626 HA LYS 634 HA LYS 634 -12.868 2.669 21.055 627 1HB LYS 634 HB2 LYS 634 -14.365 1.144 19.694 628 2HB LYS 634 HB3 LYS 634 -12.940 0.551 18.854 629 1HG LYS 634 HG2 LYS 634 -13.321 0.426 21.883 630 2HG LYS 634 HG3 LYS 634 -13.855 -0.832 20.773 631 1HD LYS 634 HD2 LYS 634 -11.478 -1.136 20.007 632 2HD LYS 634 HD3 LYS 634 -10.969 -0.010 21.287 633 1HE LYS 634 HE2 LYS 634 -12.044 -1.451 22.992 634 2HE LYS 634 HE3 LYS 634 -12.525 -2.589 21.727 635 1HZ LYS 634 HZ1 LYS 634 -10.481 -3.302 22.808 636 2HZ LYS 634 HZ2 LYS 634 -10.153 -2.947 21.251 637 3HZ LYS 634 HZ3 LYS 634 -9.718 -1.909 22.443 638 H VAL 635 H VAL 635 -11.178 2.050 17.935 639 HA VAL 635 HA VAL 635 -8.649 1.393 19.109 640 HB VAL 635 HB VAL 635 -9.265 2.573 16.370 641 1HG1 VAL 635 HG11 VAL 635 -6.887 2.960 16.873 642 2HG1 VAL 635 HG12 VAL 635 -6.705 1.281 17.431 643 3HG1 VAL 635 HG13 VAL 635 -7.037 1.633 15.721 644 1HG2 VAL 635 HG21 VAL 635 -8.967 0.235 15.606 645 2HG2 VAL 635 HG22 VAL 635 -8.709 -0.289 17.285 646 3HG2 VAL 635 HG23 VAL 635 -10.284 0.335 16.773 647 H GLU 636 H GLU 636 -9.819 4.594 17.890 648 HA GLU 636 HA GLU 636 -7.507 6.065 18.473 649 1HB GLU 636 HB2 GLU 636 -9.506 6.770 17.145 650 2HB GLU 636 HB3 GLU 636 -10.402 7.018 18.619 651 1HG GLU 636 HG2 GLU 636 -7.764 8.424 17.985 652 2HG GLU 636 HG3 GLU 636 -9.304 9.039 17.427 653 H GLY 637 H GLY 637 -10.291 5.430 20.651 654 1HA GLY 637 HA2 GLY 637 -9.290 6.810 22.937 655 2HA GLY 637 HA3 GLY 637 -10.484 5.505 22.928 656 H ASP 638 H ASP 638 -8.710 3.432 21.811 657 HA ASP 638 HA ASP 638 -7.517 2.572 24.320 658 1HB ASP 638 HB2 ASP 638 -8.647 1.108 22.589 659 2HB ASP 638 HB3 ASP 638 -7.246 1.345 21.544 660 H MET 639 H MET 639 -6.278 3.961 21.312 661 HA MET 639 HA MET 639 -3.444 3.693 21.973 662 1HB MET 639 HB2 MET 639 -4.887 5.530 20.025 663 2HB MET 639 HB3 MET 639 -3.147 5.248 20.065 664 1HG MET 639 HG2 MET 639 -5.228 3.090 19.514 665 2HG MET 639 HG3 MET 639 -4.408 3.985 18.275 666 1HE MET 639 HE1 MET 639 -3.159 0.153 20.274 667 2HE MET 639 HE2 MET 639 -4.074 1.359 21.205 668 3HE MET 639 HE3 MET 639 -4.732 0.725 19.679 669 H TYR 640 H TYR 640 -5.904 6.281 22.312 670 HA TYR 640 HA TYR 640 -4.245 8.329 23.393 671 1HB TYR 640 HB2 TYR 640 -6.464 8.638 22.445 672 2HB TYR 640 HB3 TYR 640 -7.199 7.695 23.716 673 HD1 TYR 640 HD1 TYR 640 -5.516 10.912 22.917 674 HD2 TYR 640 HD2 TYR 640 -7.685 8.661 25.891 675 HE1 TYR 640 HE1 TYR 640 -5.834 12.982 24.253 676 HE2 TYR 640 HE2 TYR 640 -8.039 10.746 27.205 677 HH TYR 640 HH TYR 640 -6.814 13.927 26.101 678 H GLU 641 H GLU 641 -6.282 5.912 25.124 679 HA GLU 641 HA GLU 641 -5.810 6.918 27.715 680 1HB GLU 641 HB2 GLU 641 -6.707 4.250 26.590 681 2HB GLU 641 HB3 GLU 641 -6.500 4.439 28.317 682 1HG GLU 641 HG2 GLU 641 -8.290 6.255 26.647 683 2HG GLU 641 HG3 GLU 641 -8.842 4.818 27.505 684 H SER 642 H SER 642 -3.522 5.233 25.823 685 HA SER 642 HA SER 642 -2.008 4.365 28.284 686 1HB SER 642 HB2 SER 642 -2.262 2.956 25.615 687 2HB SER 642 HB3 SER 642 -1.203 2.449 26.945 688 HG SER 642 HG SER 642 -3.233 1.360 26.969 689 H ALA 643 H ALA 643 -1.645 6.454 25.586 690 HA ALA 643 HA ALA 643 1.186 6.033 25.166 691 1HB ALA 643 HB1 ALA 643 -0.529 8.451 24.517 692 2HB ALA 643 HB2 ALA 643 1.028 8.011 23.805 693 3HB ALA 643 HB3 ALA 643 -0.404 7.010 23.489 694 H ASN 644 H ASN 644 2.893 7.037 26.035 695 HA ASN 644 HA ASN 644 2.758 8.408 28.569 696 1HB ASN 644 HB2 ASN 644 4.635 6.956 27.815 697 2HB ASN 644 HB3 ASN 644 5.019 8.109 26.538 698 1HD2 ASN 644 HD22 ASN 644 6.720 9.434 27.046 699 2HD2 ASN 644 HD21 ASN 644 7.110 9.950 28.678 700 H SER 645 H SER 645 2.760 9.624 25.277 701 HA SER 645 HA SER 645 2.421 12.406 26.210 702 1HB SER 645 HB2 SER 645 4.155 13.271 24.745 703 2HB SER 645 HB3 SER 645 4.871 12.106 25.868 704 HG SER 645 HG SER 645 5.631 11.659 23.813 705 H ARG 646 H ARG 646 1.777 13.858 24.413 706 HA ARG 646 HA ARG 646 -0.256 12.795 22.712 707 1HB ARG 646 HB2 ARG 646 -0.031 15.143 23.572 708 2HB ARG 646 HB3 ARG 646 1.244 15.436 22.383 709 1HG ARG 646 HG2 ARG 646 -0.294 15.198 20.537 710 2HG ARG 646 HG3 ARG 646 -1.491 14.402 21.566 711 1HD ARG 646 HD2 ARG 646 -2.369 16.532 21.282 712 2HD ARG 646 HD3 ARG 646 -1.680 16.516 22.906 713 HE ARG 646 HE ARG 646 -0.844 18.134 20.586 714 1HH1 ARG 646 HH11 ARG 646 0.060 17.292 23.885 715 2HH1 ARG 646 HH12 ARG 646 1.033 18.730 24.026 716 1HH2 ARG 646 HH21 ARG 646 0.202 19.858 20.870 717 2HH2 ARG 646 HH22 ARG 646 1.127 20.193 22.335 718 H ASP 647 H ASP 647 3.086 13.653 22.028 719 HA ASP 647 HA ASP 647 3.179 12.995 19.255 720 1HB ASP 647 HB2 ASP 647 4.946 14.207 20.517 721 2HB ASP 647 HB3 ASP 647 5.365 12.712 21.354 722 H GLU 648 H GLU 648 3.750 10.844 22.122 723 HA GLU 648 HA GLU 648 4.190 8.489 20.513 724 1HB GLU 648 HB2 GLU 648 4.948 8.792 22.871 725 2HB GLU 648 HB3 GLU 648 3.269 8.649 23.409 726 1HG GLU 648 HG2 GLU 648 3.157 6.366 22.439 727 2HG GLU 648 HG3 GLU 648 4.803 6.539 21.818 728 H TYR 649 H TYR 649 1.228 9.894 21.962 729 HA TYR 649 HA TYR 649 -0.609 7.836 21.235 730 1HB TYR 649 HB2 TYR 649 -1.538 9.333 22.659 731 2HB TYR 649 HB3 TYR 649 -0.703 10.707 21.989 732 HD1 TYR 649 HD1 TYR 649 -1.805 12.247 20.621 733 HD2 TYR 649 HD2 TYR 649 -3.530 8.347 21.239 734 HE1 TYR 649 HE1 TYR 649 -3.950 13.055 19.682 735 HE2 TYR 649 HE2 TYR 649 -5.705 9.174 20.333 736 HH TYR 649 HH TYR 649 -6.906 11.005 19.671 737 H TYR 650 H TYR 650 0.174 10.846 19.391 738 HA TYR 650 HA TYR 650 -1.020 10.174 16.937 739 1HB TYR 650 HB2 TYR 650 1.379 11.789 17.794 740 2HB TYR 650 HB3 TYR 650 1.309 11.344 16.103 741 HD1 TYR 650 HD1 TYR 650 0.291 13.802 18.405 742 HD2 TYR 650 HD2 TYR 650 -0.998 11.634 14.907 743 HE1 TYR 650 HE1 TYR 650 -1.212 15.693 17.777 744 HE2 TYR 650 HE2 TYR 650 -2.503 13.500 14.294 745 HH TYR 650 HH TYR 650 -3.071 15.641 14.729 746 H HIS 651 H HIS 651 2.315 9.203 17.959 747 HA HIS 651 HA HIS 651 2.868 7.749 15.576 748 1HB HIS 651 HB2 HIS 651 4.576 8.485 17.177 749 2HB HIS 651 HB3 HIS 651 3.959 7.354 18.383 750 HD1 HIS 651 HD1 HIS 651 5.079 6.857 14.642 751 HD2 HIS 651 HD2 HIS 651 5.526 5.309 18.548 752 HE1 HIS 651 HE1 HIS 651 6.607 4.831 14.448 753 H LEU 652 H LEU 652 1.387 6.592 18.651 754 HA LEU 652 HA LEU 652 1.037 3.866 17.826 755 1HB LEU 652 HB2 LEU 652 -0.321 5.653 19.875 756 2HB LEU 652 HB3 LEU 652 -0.819 3.992 19.629 757 HG LEU 652 HG LEU 652 2.000 4.796 20.448 758 1HD1 LEU 652 HD11 LEU 652 1.345 3.965 22.667 759 2HD1 LEU 652 HD12 LEU 652 0.295 5.299 22.171 760 3HD1 LEU 652 HD13 LEU 652 -0.301 3.631 22.079 761 1HD2 LEU 652 HD21 LEU 652 2.207 2.391 21.047 762 2HD2 LEU 652 HD22 LEU 652 0.620 2.079 20.312 763 3HD2 LEU 652 HD23 LEU 652 1.989 2.616 19.312 764 H LEU 653 H LEU 653 -1.231 6.673 17.565 765 HA LEU 653 HA LEU 653 -3.350 5.313 16.219 766 1HB LEU 653 HB2 LEU 653 -2.310 8.159 15.813 767 2HB LEU 653 HB3 LEU 653 -3.761 7.507 15.082 768 HG LEU 653 HG LEU 653 -3.375 8.078 18.031 769 1HD1 LEU 653 HD11 LEU 653 -5.125 9.308 15.863 770 2HD1 LEU 653 HD12 LEU 653 -5.132 9.748 17.576 771 3HD1 LEU 653 HD13 LEU 653 -3.688 10.049 16.602 772 1HD2 LEU 653 HD21 LEU 653 -5.849 7.045 16.588 773 2HD2 LEU 653 HD22 LEU 653 -4.833 6.075 17.673 774 3HD2 LEU 653 HD23 LEU 653 -5.695 7.475 18.311 775 H ALA 654 H ALA 654 -0.518 7.018 14.810 776 HA ALA 654 HA ALA 654 -1.167 6.386 12.128 777 1HB ALA 654 HB1 ALA 654 1.131 7.197 11.678 778 2HB ALA 654 HB2 ALA 654 0.253 8.287 12.768 779 3HB ALA 654 HB3 ALA 654 1.484 7.177 13.415 780 H GLU 655 H GLU 655 0.893 4.596 14.476 781 HA GLU 655 HA GLU 655 1.954 2.670 12.642 782 1HB GLU 655 HB2 GLU 655 2.811 3.109 14.938 783 2HB GLU 655 HB3 GLU 655 1.335 2.401 15.612 784 1HG GLU 655 HG2 GLU 655 1.935 0.234 14.457 785 2HG GLU 655 HG3 GLU 655 3.429 0.992 13.901 786 H LYS 656 H LYS 656 -1.010 2.560 14.709 787 HA LYS 656 HA LYS 656 -1.981 0.014 13.641 788 1HB LYS 656 HB2 LYS 656 -3.142 2.268 15.292 789 2HB LYS 656 HB3 LYS 656 -4.237 1.153 14.463 790 1HG LYS 656 HG2 LYS 656 -3.887 0.437 16.684 791 2HG LYS 656 HG3 LYS 656 -3.348 -0.735 15.482 792 1HD LYS 656 HD2 LYS 656 -1.337 1.097 16.850 793 2HD LYS 656 HD3 LYS 656 -2.006 -0.299 17.696 794 1HE LYS 656 HE2 LYS 656 -1.302 -1.738 15.717 795 2HE LYS 656 HE3 LYS 656 -0.381 -0.352 15.121 796 1HZ LYS 656 HZ1 LYS 656 0.914 -1.939 16.523 797 2HZ LYS 656 HZ2 LYS 656 0.983 -0.424 17.096 798 3HZ LYS 656 HZ3 LYS 656 0.015 -1.538 17.822 799 H ILE 657 H ILE 657 -2.554 3.420 12.673 800 HA ILE 657 HA ILE 657 -4.216 2.819 10.437 801 HB ILE 657 HB ILE 657 -2.395 5.065 11.220 802 1HG1 ILE 657 HG12 ILE 657 -4.547 5.059 12.267 803 2HG1 ILE 657 HG13 ILE 657 -4.488 6.387 11.118 804 1HG2 ILE 657 HG21 ILE 657 -3.575 4.875 8.456 805 2HG2 ILE 657 HG22 ILE 657 -3.159 6.420 9.235 806 3HG2 ILE 657 HG23 ILE 657 -1.908 5.220 8.966 807 1HD1 ILE 657 HD11 ILE 657 -6.112 3.897 11.056 808 2HD1 ILE 657 HD12 ILE 657 -6.520 5.573 10.623 809 3HD1 ILE 657 HD13 ILE 657 -5.593 4.577 9.499 810 H TYR 658 H TYR 658 -0.611 2.765 10.599 811 HA TYR 658 HA TYR 658 -0.290 2.121 7.844 812 1HB TYR 658 HB2 TYR 658 1.414 2.831 9.745 813 2HB TYR 658 HB3 TYR 658 1.572 1.110 9.994 814 HD1 TYR 658 HD1 TYR 658 2.806 -0.235 8.232 815 HD2 TYR 658 HD2 TYR 658 1.926 3.945 7.686 816 HE1 TYR 658 HE1 TYR 658 4.298 -0.165 6.232 817 HE2 TYR 658 HE2 TYR 658 3.271 3.987 5.631 818 HH TYR 658 HH TYR 658 5.127 1.115 4.510 819 H LYS 659 H LYS 659 -0.521 0.010 10.731 820 HA LYS 659 HA LYS 659 -0.573 -2.529 9.530 821 1HB LYS 659 HB2 LYS 659 -0.440 -2.536 11.825 822 2HB LYS 659 HB3 LYS 659 -1.574 -1.249 12.011 823 1HG LYS 659 HG2 LYS 659 -2.667 -2.912 13.033 824 2HG LYS 659 HG3 LYS 659 -3.455 -2.944 11.472 825 1HD LYS 659 HD2 LYS 659 -1.159 -4.761 12.331 826 2HD LYS 659 HD3 LYS 659 -2.873 -5.168 12.493 827 1HE LYS 659 HE2 LYS 659 -3.160 -4.930 10.023 828 2HE LYS 659 HE3 LYS 659 -1.430 -4.628 9.857 829 1HZ LYS 659 HZ1 LYS 659 -0.997 -6.855 10.660 830 2HZ LYS 659 HZ2 LYS 659 -2.585 -7.127 10.968 831 3HZ LYS 659 HZ3 LYS 659 -2.082 -6.944 9.426 832 H ILE 660 H ILE 660 -3.464 -0.387 9.935 833 HA ILE 660 HA ILE 660 -5.178 -2.195 8.435 834 HB ILE 660 HB ILE 660 -5.563 0.777 8.895 835 1HG1 ILE 660 HG12 ILE 660 -5.375 -0.297 11.065 836 2HG1 ILE 660 HG13 ILE 660 -7.023 0.166 10.764 837 1HG2 ILE 660 HG21 ILE 660 -7.435 -1.454 7.984 838 2HG2 ILE 660 HG22 ILE 660 -8.004 0.089 8.631 839 3HG2 ILE 660 HG23 ILE 660 -7.042 0.070 7.151 840 1HD1 ILE 660 HD11 ILE 660 -7.651 -2.155 10.351 841 2HD1 ILE 660 HD12 ILE 660 -5.945 -2.678 10.479 842 3HD1 ILE 660 HD13 ILE 660 -6.779 -2.025 11.891 843 H GLN 661 H GLN 661 -3.705 0.948 7.352 844 HA GLN 661 HA GLN 661 -4.814 0.621 4.743 845 1HB GLN 661 HB2 GLN 661 -4.335 2.788 5.898 846 2HB GLN 661 HB3 GLN 661 -2.612 2.500 5.664 847 1HG GLN 661 HG2 GLN 661 -3.471 4.053 3.980 848 2HG GLN 661 HG3 GLN 661 -2.889 2.580 3.224 849 1HE2 GLN 661 HE22 GLN 661 -4.177 3.035 1.318 850 2HE2 GLN 661 HE21 GLN 661 -5.918 2.801 1.359 851 H LYS 662 H LYS 662 -1.445 0.010 5.899 852 HA LYS 662 HA LYS 662 -0.317 -0.373 3.278 853 1HB LYS 662 HB2 LYS 662 0.971 0.091 5.406 854 2HB LYS 662 HB3 LYS 662 0.537 -1.525 5.960 855 1HG LYS 662 HG2 LYS 662 2.681 -1.750 5.276 856 2HG LYS 662 HG3 LYS 662 1.788 -2.487 3.972 857 1HD LYS 662 HD2 LYS 662 2.816 0.392 3.858 858 2HD LYS 662 HD3 LYS 662 3.783 -1.012 3.376 859 1HE LYS 662 HE2 LYS 662 1.861 -1.609 1.770 860 2HE LYS 662 HE3 LYS 662 1.229 0.012 2.103 861 1HZ LYS 662 HZ1 LYS 662 2.590 0.163 0.184 862 2HZ LYS 662 HZ2 LYS 662 3.445 0.870 1.379 863 3HZ LYS 662 HZ3 LYS 662 3.848 -0.638 0.875 864 H GLU 663 H GLU 663 -1.779 -2.613 5.619 865 HA GLU 663 HA GLU 663 -1.335 -5.012 4.137 866 1HB GLU 663 HB2 GLU 663 -2.047 -4.848 6.534 867 2HB GLU 663 HB3 GLU 663 -3.679 -4.421 5.991 868 1HG GLU 663 HG2 GLU 663 -3.874 -6.573 4.814 869 2HG GLU 663 HG3 GLU 663 -2.195 -6.968 5.193 870 H LEU 664 H LEU 664 -4.224 -2.808 4.084 871 HA LEU 664 HA LEU 664 -5.598 -4.091 1.940 872 1HB LEU 664 HB2 LEU 664 -5.540 -1.352 3.165 873 2HB LEU 664 HB3 LEU 664 -6.192 -1.468 1.542 874 HG LEU 664 HG LEU 664 -7.931 -2.974 2.201 875 1HD1 LEU 664 HD11 LEU 664 -8.332 -3.624 4.552 876 2HD1 LEU 664 HD12 LEU 664 -6.846 -4.341 3.927 877 3HD1 LEU 664 HD13 LEU 664 -6.764 -2.936 5.012 878 1HD2 LEU 664 HD21 LEU 664 -7.645 -0.676 4.193 879 2HD2 LEU 664 HD22 LEU 664 -8.273 -0.550 2.534 880 3HD2 LEU 664 HD23 LEU 664 -9.158 -1.470 3.751 881 H GLU 665 H GLU 665 -2.943 -1.699 1.806 882 HA GLU 665 HA GLU 665 -2.937 -1.312 -0.980 883 1HB GLU 665 HB2 GLU 665 -1.624 -0.171 1.082 884 2HB GLU 665 HB3 GLU 665 -0.337 -1.235 0.519 885 1HG GLU 665 HG2 GLU 665 -0.775 -0.188 -1.825 886 2HG GLU 665 HG3 GLU 665 -1.761 0.999 -0.975 887 H GLU 666 H GLU 666 -2.003 -4.239 0.573 888 HA GLU 666 HA GLU 666 -0.956 -5.196 -2.067 889 1HB GLU 666 HB2 GLU 666 0.701 -6.608 -0.970 890 2HB GLU 666 HB3 GLU 666 1.015 -4.892 -0.732 891 1HG GLU 666 HG2 GLU 666 0.286 -4.978 1.562 892 2HG GLU 666 HG3 GLU 666 -0.409 -6.584 1.355 893 H LYS 667 H LYS 667 -2.890 -5.968 0.755 894 HA LYS 667 HA LYS 667 -3.611 -8.625 -0.380 895 1HB LYS 667 HB2 LYS 667 -4.504 -7.348 2.233 896 2HB LYS 667 HB3 LYS 667 -4.733 -9.014 1.732 897 1HG LYS 667 HG2 LYS 667 -2.134 -7.684 2.553 898 2HG LYS 667 HG3 LYS 667 -3.020 -8.970 3.365 899 1HD LYS 667 HD2 LYS 667 -2.588 -10.364 1.204 900 2HD LYS 667 HD3 LYS 667 -1.370 -9.144 0.820 901 1HE LYS 667 HE2 LYS 667 -1.492 -10.910 3.307 902 2HE LYS 667 HE3 LYS 667 -0.397 -11.114 1.939 903 1HZ LYS 667 HZ1 LYS 667 0.713 -10.008 3.767 904 2HZ LYS 667 HZ2 LYS 667 0.633 -8.964 2.518 905 3HZ LYS 667 HZ3 LYS 667 -0.378 -8.798 3.799 906 H ARG 668 H ARG 668 -4.708 -5.479 -0.756 907 HA ARG 668 HA ARG 668 -7.259 -6.533 -1.917 908 1HB ARG 668 HB2 ARG 668 -7.273 -5.023 0.371 909 2HB ARG 668 HB3 ARG 668 -7.224 -3.734 -0.822 910 1HG ARG 668 HG2 ARG 668 -9.470 -3.972 -0.804 911 2HG ARG 668 HG3 ARG 668 -9.189 -5.282 -1.931 912 1HD ARG 668 HD2 ARG 668 -9.530 -5.549 1.076 913 2HD ARG 668 HD3 ARG 668 -10.722 -5.950 -0.162 914 HE ARG 668 HE ARG 668 -8.074 -7.346 0.154 915 1HH1 ARG 668 HH22 ARG 668 -11.514 -7.726 -0.598 916 2HH1 ARG 668 HH21 ARG 668 -11.258 -9.387 -1.058 917 1HH2 ARG 668 HH12 ARG 668 -7.866 -9.348 -0.446 918 2HH2 ARG 668 HH11 ARG 668 -9.251 -10.321 -0.902 919 H ARG 669 H ARG 669 -4.425 -4.922 -2.568 920 HA ARG 669 HA ARG 669 -5.460 -3.806 -5.151 921 1HB ARG 669 HB2 ARG 669 -3.311 -2.620 -3.343 922 2HB ARG 669 HB3 ARG 669 -3.817 -1.962 -4.896 923 1HG ARG 669 HG2 ARG 669 -5.577 -2.167 -2.406 924 2HG ARG 669 HG3 ARG 669 -4.770 -0.715 -2.983 925 1HD ARG 669 HD2 ARG 669 -6.106 -0.688 -5.022 926 2HD ARG 669 HD3 ARG 669 -6.792 -2.264 -4.648 927 HE ARG 669 HE ARG 669 -8.312 -1.349 -3.200 928 1HH1 ARG 669 HH11 ARG 669 -6.002 1.217 -3.868 929 2HH1 ARG 669 HH12 ARG 669 -7.092 2.439 -3.279 930 1HH2 ARG 669 HH22 ARG 669 -9.614 0.190 -2.573 931 2HH2 ARG 669 HH21 ARG 669 -9.114 1.873 -2.537 932 H SER 670 H SER 670 -4.520 -6.396 -4.626 933 HA SER 670 HA SER 670 -1.874 -6.975 -5.360 934 1HB SER 670 HB2 SER 670 -4.308 -8.723 -5.845 935 2HB SER 670 HB3 SER 670 -2.638 -9.238 -5.553 936 HG SER 670 HG SER 670 -2.853 -8.317 -3.420 937 H ARG 671 H ARG 671 -1.296 -5.699 -7.129 938 HA ARG 671 HA ARG 671 -2.307 -6.503 -9.843 939 1HB ARG 671 HB2 ARG 671 -1.201 -3.883 -8.757 940 2HB ARG 671 HB3 ARG 671 -1.449 -4.184 -10.477 941 1HG ARG 671 HG2 ARG 671 -3.825 -4.442 -10.214 942 2HG ARG 671 HG3 ARG 671 -3.713 -4.370 -8.447 943 1HD ARG 671 HD2 ARG 671 -2.961 -2.081 -8.490 944 2HD ARG 671 HD3 ARG 671 -2.776 -2.096 -10.239 945 HE ARG 671 HE ARG 671 -5.295 -1.856 -8.701 946 1HH1 ARG 671 HH22 ARG 671 -3.941 -2.250 -11.913 947 2HH1 ARG 671 HH21 ARG 671 -5.360 -1.594 -12.681 948 1HH2 ARG 671 HH12 ARG 671 -7.099 -1.117 -9.750 949 2HH2 ARG 671 HH11 ARG 671 -7.094 -0.982 -11.487 950 H LEU 672 H LEU 672 -0.065 -7.626 -8.103 951 HA LEU 672 HA LEU 672 1.964 -7.957 -10.188 952 1HB LEU 672 HB2 LEU 672 3.836 -7.473 -8.742 953 2HB LEU 672 HB3 LEU 672 2.871 -6.063 -9.060 954 HG LEU 672 HG LEU 672 3.843 -6.127 -6.831 955 1HD1 LEU 672 HD11 LEU 672 0.830 -6.273 -6.535 956 2HD1 LEU 672 HD12 LEU 672 1.989 -5.367 -5.558 957 3HD1 LEU 672 HD13 LEU 672 1.702 -4.888 -7.239 958 1HD2 LEU 672 HD21 LEU 672 3.689 -8.582 -6.462 959 2HD2 LEU 672 HD22 LEU 672 3.108 -7.610 -5.089 960 3HD2 LEU 672 HD23 LEU 672 1.946 -8.395 -6.178 961 1H SER 839 H1 SER 839 -4.399 -12.414 16.194 962 2H SER 839 H2 SER 839 -2.855 -12.286 16.741 963 3H SER 839 H3 SER 839 -4.026 -11.325 17.370 964 HA SER 839 HA SER 839 -3.895 -14.255 17.621 965 1HB SER 839 HB2 SER 839 -3.351 -12.133 19.736 966 2HB SER 839 HB3 SER 839 -3.298 -13.895 19.959 967 HG SER 839 HG SER 839 -1.214 -13.024 19.556 968 H ASP 840 H ASP 840 -5.513 -15.210 18.985 969 HA ASP 840 HA ASP 840 -8.124 -14.238 18.517 970 1HB ASP 840 HB2 ASP 840 -8.870 -16.177 19.679 971 2HB ASP 840 HB3 ASP 840 -7.447 -16.614 18.750 972 H ALA 841 H ALA 841 -6.061 -13.388 21.124 973 HA ALA 841 HA ALA 841 -8.257 -11.824 22.399 974 1HB ALA 841 HB1 ALA 841 -7.690 -13.803 23.788 975 2HB ALA 841 HB2 ALA 841 -5.990 -13.281 23.833 976 3HB ALA 841 HB3 ALA 841 -7.255 -12.286 24.593 977 H GLY 842 H GLY 842 -6.359 -11.135 20.275 978 1HA GLY 842 HA2 GLY 842 -5.121 -8.678 21.275 979 2HA GLY 842 HA3 GLY 842 -3.964 -9.958 20.884 980 H ASN 843 H ASN 843 -6.688 -8.085 19.561 981 HA ASN 843 HA ASN 843 -5.437 -8.005 16.875 982 1HB ASN 843 HB2 ASN 843 -6.976 -9.978 16.914 983 2HB ASN 843 HB3 ASN 843 -8.292 -8.932 17.443 984 1HD2 ASN 843 HD22 ASN 843 -9.484 -9.675 15.529 985 2HD2 ASN 843 HD21 ASN 843 -9.118 -8.911 13.981 986 H ILE 844 H ILE 844 -6.115 -6.265 15.608 987 HA ILE 844 HA ILE 844 -7.734 -4.116 16.896 988 HB ILE 844 HB ILE 844 -5.372 -3.365 15.194 989 1HG1 ILE 844 HG12 ILE 844 -5.163 -3.940 18.185 990 2HG1 ILE 844 HG13 ILE 844 -4.338 -4.823 16.894 991 1HG2 ILE 844 HG21 ILE 844 -7.157 -1.682 15.964 992 2HG2 ILE 844 HG22 ILE 844 -6.612 -1.974 17.620 993 3HG2 ILE 844 HG23 ILE 844 -5.524 -1.267 16.408 994 1HD1 ILE 844 HD11 ILE 844 -2.760 -3.325 17.897 995 2HD1 ILE 844 HD12 ILE 844 -3.122 -2.764 16.252 996 3HD1 ILE 844 HD13 ILE 844 -3.819 -1.927 17.658 997 H LEU 845 H LEU 845 -7.883 -6.265 14.505 998 HA LEU 845 HA LEU 845 -9.682 -4.500 12.937 999 1HB LEU 845 HB2 LEU 845 -7.617 -4.565 11.688 1000 2HB LEU 845 HB3 LEU 845 -7.564 -6.321 11.747 1001 HG LEU 845 HG LEU 845 -9.411 -6.526 10.238 1002 1HD1 LEU 845 HD11 LEU 845 -9.738 -3.501 10.386 1003 2HD1 LEU 845 HD12 LEU 845 -10.546 -4.547 9.199 1004 3HD1 LEU 845 HD13 LEU 845 -10.906 -4.728 10.923 1005 1HD2 LEU 845 HD21 LEU 845 -7.209 -6.054 9.246 1006 2HD2 LEU 845 HD22 LEU 845 -8.525 -5.436 8.239 1007 3HD2 LEU 845 HD23 LEU 845 -7.580 -4.317 9.240 1008 HA PRO 846 HA PRO 846 -11.896 -8.166 14.800 1009 1HB PRO 846 HB2 PRO 846 -13.934 -5.970 14.265 1010 2HB PRO 846 HB3 PRO 846 -13.925 -7.181 15.595 1011 1HG PRO 846 HG2 PRO 846 -13.070 -4.705 16.080 1012 2HG PRO 846 HG3 PRO 846 -12.025 -6.074 16.612 1013 1HD PRO 846 HD2 PRO 846 -11.852 -4.454 14.053 1014 2HD PRO 846 HD3 PRO 846 -10.553 -4.814 15.241 1015 H SER 847 H SER 847 -12.945 -9.771 13.672 1016 HA SER 847 HA SER 847 -12.729 -9.896 10.933 1017 1HB SER 847 HB2 SER 847 -14.620 -11.520 12.669 1018 2HB SER 847 HB3 SER 847 -14.022 -11.972 11.059 1019 HG SER 847 HG SER 847 -12.781 -12.928 12.749 1020 H ASP 848 H ASP 848 -15.731 -8.966 12.672 1021 HA ASP 848 HA ASP 848 -17.412 -9.007 10.328 1022 1HB ASP 848 HB2 ASP 848 -18.217 -9.110 12.684 1023 2HB ASP 848 HB3 ASP 848 -17.727 -7.430 12.912 1024 H ILE 849 H ILE 849 -15.516 -6.409 11.878 1025 HA ILE 849 HA ILE 849 -16.273 -4.301 10.015 1026 HB ILE 849 HB ILE 849 -14.159 -4.649 12.162 1027 1HG1 ILE 849 HG12 ILE 849 -15.164 -2.540 12.988 1028 2HG1 ILE 849 HG13 ILE 849 -16.281 -2.511 11.631 1029 1HG2 ILE 849 HG21 ILE 849 -12.846 -3.562 10.449 1030 2HG2 ILE 849 HG22 ILE 849 -14.144 -2.412 10.109 1031 3HG2 ILE 849 HG23 ILE 849 -13.286 -2.371 11.661 1032 1HD1 ILE 849 HD11 ILE 849 -16.195 -4.683 13.771 1033 2HD1 ILE 849 HD12 ILE 849 -17.293 -3.288 13.765 1034 3HD1 ILE 849 HD13 ILE 849 -17.422 -4.501 12.488 1035 H MET 850 H MET 850 -13.563 -6.614 10.237 1036 HA MET 850 HA MET 850 -12.100 -5.742 7.994 1037 1HB MET 850 HB2 MET 850 -11.374 -7.416 9.739 1038 2HB MET 850 HB3 MET 850 -12.383 -8.621 8.944 1039 1HG MET 850 HG2 MET 850 -11.086 -8.442 6.888 1040 2HG MET 850 HG3 MET 850 -10.195 -7.063 7.512 1041 1HE MET 850 HE1 MET 850 -9.627 -11.459 8.903 1042 2HE MET 850 HE2 MET 850 -11.103 -10.556 9.289 1043 3HE MET 850 HE3 MET 850 -10.716 -10.946 7.596 1044 H ASP 851 H ASP 851 -14.610 -8.366 8.070 1045 HA ASP 851 HA ASP 851 -14.532 -9.006 5.353 1046 1HB ASP 851 HB2 ASP 851 -15.709 -10.276 7.110 1047 2HB ASP 851 HB3 ASP 851 -16.922 -9.001 7.239 1048 H PHE 852 H PHE 852 -16.431 -6.372 6.876 1049 HA PHE 852 HA PHE 852 -17.781 -5.540 4.476 1050 1HB PHE 852 HB2 PHE 852 -18.460 -4.965 6.803 1051 2HB PHE 852 HB3 PHE 852 -17.052 -3.922 6.948 1052 HD1 PHE 852 HD1 PHE 852 -20.342 -4.387 5.291 1053 HD2 PHE 852 HD2 PHE 852 -16.967 -1.757 5.801 1054 HE1 PHE 852 HE1 PHE 852 -21.635 -2.530 4.264 1055 HE2 PHE 852 HE2 PHE 852 -18.268 0.107 4.790 1056 HZ PHE 852 HZ PHE 852 -20.601 -0.278 4.018 1057 H VAL 853 H VAL 853 -14.701 -4.398 5.988 1058 HA VAL 853 HA VAL 853 -14.047 -2.516 3.898 1059 HB VAL 853 HB VAL 853 -12.332 -3.964 5.979 1060 1HG1 VAL 853 HG11 VAL 853 -10.517 -2.404 5.375 1061 2HG1 VAL 853 HG12 VAL 853 -10.850 -3.516 4.045 1062 3HG1 VAL 853 HG13 VAL 853 -11.449 -1.838 3.976 1063 1HG2 VAL 853 HG21 VAL 853 -13.165 -1.057 5.573 1064 2HG2 VAL 853 HG22 VAL 853 -13.820 -2.167 6.809 1065 3HG2 VAL 853 HG23 VAL 853 -12.117 -1.661 6.862 1066 H LEU 854 H LEU 854 -13.219 -6.013 4.243 1067 HA LEU 854 HA LEU 854 -11.627 -6.114 1.893 1068 1HB LEU 854 HB2 LEU 854 -13.228 -8.416 3.066 1069 2HB LEU 854 HB3 LEU 854 -11.901 -8.526 1.928 1070 HG LEU 854 HG LEU 854 -11.815 -7.962 4.865 1071 1HD1 LEU 854 HD11 LEU 854 -11.676 -10.264 4.057 1072 2HD1 LEU 854 HD12 LEU 854 -10.233 -9.839 3.106 1073 3HD1 LEU 854 HD13 LEU 854 -10.194 -9.748 4.880 1074 1HD2 LEU 854 HD21 LEU 854 -9.475 -7.422 3.014 1075 2HD2 LEU 854 HD22 LEU 854 -10.368 -6.195 3.950 1076 3HD2 LEU 854 HD23 LEU 854 -9.456 -7.439 4.800 1077 H LYS 855 H LYS 855 -15.144 -6.449 2.246 1078 HA LYS 855 HA LYS 855 -15.671 -7.221 -0.496 1079 1HB LYS 855 HB2 LYS 855 -17.184 -7.556 1.438 1080 2HB LYS 855 HB3 LYS 855 -17.456 -5.827 1.564 1081 1HG LYS 855 HG2 LYS 855 -18.095 -7.365 -0.988 1082 2HG LYS 855 HG3 LYS 855 -19.188 -7.368 0.394 1083 1HD LYS 855 HD2 LYS 855 -19.331 -4.876 0.301 1084 2HD LYS 855 HD3 LYS 855 -18.362 -4.900 -1.188 1085 1HE LYS 855 HE2 LYS 855 -20.037 -6.363 -2.271 1086 2HE LYS 855 HE3 LYS 855 -21.010 -6.352 -0.795 1087 1HZ LYS 855 HZ1 LYS 855 -20.369 -3.942 -2.415 1088 2HZ LYS 855 HZ2 LYS 855 -21.804 -4.715 -2.411 1089 3HZ LYS 855 HZ3 LYS 855 -21.293 -3.952 -1.065 1090 H ASN 856 H ASN 856 -15.656 -4.053 1.147 1091 HA ASN 856 HA ASN 856 -16.563 -2.640 -1.228 1092 1HB ASN 856 HB2 ASN 856 -15.716 -1.803 1.570 1093 2HB ASN 856 HB3 ASN 856 -16.098 -0.656 0.300 1094 1HD2 ASN 856 HD22 ASN 856 -17.488 -2.981 2.511 1095 2HD2 ASN 856 HD21 ASN 856 -19.150 -2.528 2.160 1096 H THR 857 H THR 857 -13.336 -2.895 0.305 1097 HA THR 857 HA THR 857 -12.310 -0.685 -1.258 1098 HB THR 857 HB THR 857 -10.153 -1.122 -0.114 1099 HG1 THR 857 HG1 THR 857 -11.637 -3.042 1.349 1100 1HG2 THR 857 HG21 THR 857 -11.864 0.389 0.788 1101 2HG2 THR 857 HG22 THR 857 -12.582 -0.951 1.712 1102 3HG2 THR 857 HG23 THR 857 -10.923 -0.403 2.062 1103 HA PRO 858 HA PRO 858 -9.872 -4.187 -3.706 1104 1HB PRO 858 HB2 PRO 858 -12.423 -4.905 -5.154 1105 2HB PRO 858 HB3 PRO 858 -10.948 -5.894 -4.915 1106 1HG PRO 858 HG2 PRO 858 -13.113 -6.300 -3.353 1107 2HG PRO 858 HG3 PRO 858 -11.478 -6.258 -2.615 1108 1HD PRO 858 HD2 PRO 858 -13.561 -4.076 -2.719 1109 2HD PRO 858 HD3 PRO 858 -12.532 -4.597 -1.345 1110 H SER 859 H SER 859 -9.233 -4.061 -5.897 1111 HA SER 859 HA SER 859 -10.345 -1.871 -7.593 1112 1HB SER 859 HB2 SER 859 -8.388 -1.108 -6.189 1113 2HB SER 859 HB3 SER 859 -7.384 -2.289 -7.047 1114 HG SER 859 HG SER 859 -8.724 0.014 -8.059 1115 H MET 860 H MET 860 -10.806 -4.671 -7.814 1116 HA MET 860 HA MET 860 -9.771 -5.265 -10.500 1117 1HB MET 860 HB2 MET 860 -8.950 -7.518 -9.842 1118 2HB MET 860 HB3 MET 860 -8.014 -6.199 -9.181 1119 1HG MET 860 HG2 MET 860 -8.210 -7.876 -7.503 1120 2HG MET 860 HG3 MET 860 -9.102 -6.462 -6.987 1121 1HE MET 860 HE1 MET 860 -9.209 -10.281 -7.819 1122 2HE MET 860 HE2 MET 860 -10.922 -10.554 -8.202 1123 3HE MET 860 HE3 MET 860 -9.909 -9.601 -9.305 1124 H GLN 861 H GLN 861 -10.675 -7.561 -11.154 1125 HA GLN 861 HA GLN 861 -13.442 -8.007 -10.146 1126 1HB GLN 861 HB2 GLN 861 -13.371 -6.513 -12.257 1127 2HB GLN 861 HB3 GLN 861 -12.752 -7.935 -13.104 1128 1HG GLN 861 HG2 GLN 861 -14.864 -9.159 -12.184 1129 2HG GLN 861 HG3 GLN 861 -15.452 -7.559 -11.744 1130 1HE2 GLN 861 HE22 GLN 861 -14.744 -9.769 -14.417 1131 2HE2 GLN 861 HE21 GLN 861 -15.493 -8.769 -15.659 1132 H ALA 862 H ALA 862 -14.030 -10.163 -10.123 1133 HA ALA 862 HA ALA 862 -12.061 -12.220 -10.277 1134 1HB ALA 862 HB1 ALA 862 -13.992 -13.717 -9.929 1135 2HB ALA 862 HB2 ALA 862 -14.076 -12.310 -8.853 1136 3HB ALA 862 HB3 ALA 862 -15.108 -12.387 -10.302 1137 H LEU 863 H LEU 863 -11.989 -14.046 -11.632 1138 HA LEU 863 HA LEU 863 -13.110 -13.973 -14.372 1139 1HB LEU 863 HB2 LEU 863 -10.142 -14.136 -13.665 1140 2HB LEU 863 HB3 LEU 863 -10.786 -14.560 -15.243 1141 HG LEU 863 HG LEU 863 -10.950 -11.772 -14.020 1142 1HD1 LEU 863 HD11 LEU 863 -8.639 -12.458 -14.553 1143 2HD1 LEU 863 HD12 LEU 863 -9.140 -12.882 -16.205 1144 3HD1 LEU 863 HD13 LEU 863 -9.215 -11.194 -15.648 1145 1HD2 LEU 863 HD21 LEU 863 -12.760 -12.163 -15.659 1146 2HD2 LEU 863 HD22 LEU 863 -11.536 -11.088 -16.339 1147 3HD2 LEU 863 HD23 LEU 863 -11.581 -12.796 -16.831 1148 H GLY 864 H GLY 864 -12.701 -16.094 -15.482 1149 1HA GLY 864 HA2 GLY 864 -11.825 -18.376 -14.025 1150 2HA GLY 864 HA3 GLY 864 -13.593 -18.309 -14.034 1151 H GLU 865 H GLU 865 -11.635 -17.188 -16.775 1152 HA GLU 865 HA GLU 865 -12.979 -19.033 -18.605 1153 1HB GLU 865 HB2 GLU 865 -10.751 -16.996 -19.021 1154 2HB GLU 865 HB3 GLU 865 -11.581 -17.856 -20.315 1155 1HG GLU 865 HG2 GLU 865 -12.892 -15.917 -18.358 1156 2HG GLU 865 HG3 GLU 865 -12.422 -15.553 -20.010 1157 H SER 866 H SER 866 -10.063 -19.233 -16.775 1158 HA SER 866 HA SER 866 -8.374 -20.726 -18.467 1159 1HB SER 866 HB2 SER 866 -8.599 -20.818 -15.431 1160 2HB SER 866 HB3 SER 866 -7.202 -21.339 -16.388 1161 HG SER 866 HG SER 866 -6.949 -19.202 -15.579 1162 HA PRO 867 HA PRO 867 -10.015 -24.949 -18.157 1163 1HB PRO 867 HB2 PRO 867 -7.780 -26.433 -18.652 1164 2HB PRO 867 HB3 PRO 867 -8.585 -25.452 -19.913 1165 1HG PRO 867 HG2 PRO 867 -6.181 -24.694 -18.221 1166 2HG PRO 867 HG3 PRO 867 -6.358 -24.581 -20.003 1167 1HD PRO 867 HD2 PRO 867 -6.782 -22.445 -18.366 1168 2HD PRO 867 HD3 PRO 867 -7.767 -22.700 -19.836 1169 H GLU 868 H GLU 868 -9.666 -26.960 -16.895 1170 HA GLU 868 HA GLU 868 -8.408 -26.516 -14.215 1171 1HB GLU 868 HB2 GLU 868 -10.389 -27.283 -13.156 1172 2HB GLU 868 HB3 GLU 868 -10.831 -25.978 -14.239 1173 1HG GLU 868 HG2 GLU 868 -11.211 -28.950 -14.855 1174 2HG GLU 868 HG3 GLU 868 -12.435 -27.904 -14.166 1175 H SER 869 H SER 869 -8.193 -28.489 -16.805 1176 HA SER 869 HA SER 869 -6.936 -30.701 -15.330 1177 1HB SER 869 HB2 SER 869 -9.427 -31.068 -17.038 1178 2HB SER 869 HB3 SER 869 -8.252 -32.375 -16.794 1179 HG SER 869 HG SER 869 -9.219 -30.930 -14.565 Start of MODEL 8 1 1H LYS 291 H1 LYS 291 10.408 -0.388 0.300 2 2H LYS 291 H2 LYS 291 8.877 -0.982 0.250 3 3H LYS 291 H3 LYS 291 9.307 0.267 -0.722 4 HA LYS 291 HA LYS 291 7.976 1.082 1.096 5 1HB LYS 291 HB2 LYS 291 10.290 0.207 2.865 6 2HB LYS 291 HB3 LYS 291 8.896 1.141 3.359 7 1HG LYS 291 HG2 LYS 291 7.371 -0.753 2.750 8 2HG LYS 291 HG3 LYS 291 8.795 -1.757 2.428 9 1HD LYS 291 HD2 LYS 291 9.537 -1.424 4.794 10 2HD LYS 291 HD3 LYS 291 8.077 -0.456 5.093 11 1HE LYS 291 HE2 LYS 291 6.697 -2.456 4.360 12 2HE LYS 291 HE3 LYS 291 8.193 -3.393 4.259 13 1HZ LYS 291 HZ1 LYS 291 7.146 -3.744 6.393 14 2HZ LYS 291 HZ2 LYS 291 8.522 -2.908 6.661 15 3HZ LYS 291 HZ3 LYS 291 7.067 -2.149 6.716 16 H GLU 292 H GLU 292 8.139 3.228 1.169 17 HA GLU 292 HA GLU 292 10.674 4.594 1.239 18 1HB GLU 292 HB2 GLU 292 10.470 5.571 -1.065 19 2HB GLU 292 HB3 GLU 292 10.744 3.853 -1.089 20 1HG GLU 292 HG2 GLU 292 8.045 5.200 -1.519 21 2HG GLU 292 HG3 GLU 292 9.110 4.612 -2.788 22 H LYS 293 H LYS 293 9.645 7.028 -0.102 23 HA LYS 293 HA LYS 293 8.811 8.452 2.094 24 1HB LYS 293 HB2 LYS 293 9.681 9.319 -0.079 25 2HB LYS 293 HB3 LYS 293 8.071 9.110 -0.782 26 1HG LYS 293 HG2 LYS 293 7.143 10.715 0.873 27 2HG LYS 293 HG3 LYS 293 8.725 10.884 1.627 28 1HD LYS 293 HD2 LYS 293 8.117 11.594 -1.285 29 2HD LYS 293 HD3 LYS 293 8.032 12.741 0.066 30 1HE LYS 293 HE2 LYS 293 10.389 12.234 0.634 31 2HE LYS 293 HE3 LYS 293 10.514 11.183 -0.784 32 1HZ LYS 293 HZ1 LYS 293 11.348 13.401 -1.292 33 2HZ LYS 293 HZ2 LYS 293 10.009 13.125 -2.181 34 3HZ LYS 293 HZ3 LYS 293 9.935 14.099 -0.870 35 H ARG 294 H ARG 294 6.500 6.759 0.007 36 HA ARG 294 HA ARG 294 4.072 7.814 1.027 37 1HB ARG 294 HB2 ARG 294 4.251 6.312 -0.881 38 2HB ARG 294 HB3 ARG 294 4.754 4.971 0.141 39 1HG ARG 294 HG2 ARG 294 2.092 6.333 0.683 40 2HG ARG 294 HG3 ARG 294 2.265 5.288 -0.717 41 1HD ARG 294 HD2 ARG 294 3.105 3.457 0.826 42 2HD ARG 294 HD3 ARG 294 2.618 4.455 2.198 43 HE ARG 294 HE ARG 294 0.299 4.439 1.257 44 1HH1 ARG 294 HH12 ARG 294 2.372 1.741 0.271 45 2HH1 ARG 294 HH11 ARG 294 0.956 0.728 -0.019 46 1HH2 ARG 294 HH21 ARG 294 -1.376 3.020 0.712 47 2HH2 ARG 294 HH22 ARG 294 -0.934 1.398 0.175 48 H ILE 295 H ILE 295 6.297 5.548 2.604 49 HA ILE 295 HA ILE 295 4.491 4.730 4.720 50 HB ILE 295 HB ILE 295 7.543 4.769 4.578 51 1HG1 ILE 295 HG12 ILE 295 7.067 3.232 2.975 52 2HG1 ILE 295 HG13 ILE 295 7.128 2.210 4.389 53 1HG2 ILE 295 HG21 ILE 295 7.309 3.041 6.461 54 2HG2 ILE 295 HG22 ILE 295 7.035 4.727 6.878 55 3HG2 ILE 295 HG23 ILE 295 5.649 3.658 6.664 56 1HD1 ILE 295 HD11 ILE 295 4.690 3.088 2.812 57 2HD1 ILE 295 HD12 ILE 295 5.324 1.455 3.057 58 3HD1 ILE 295 HD13 ILE 295 4.550 2.319 4.402 59 H LYS 296 H LYS 296 7.090 7.222 4.611 60 HA LYS 296 HA LYS 296 6.426 8.350 7.196 61 1HB LYS 296 HB2 LYS 296 8.640 8.676 6.104 62 2HB LYS 296 HB3 LYS 296 7.873 9.553 4.788 63 1HG LYS 296 HG2 LYS 296 8.944 11.100 6.326 64 2HG LYS 296 HG3 LYS 296 7.215 11.363 6.272 65 1HD LYS 296 HD2 LYS 296 7.905 11.646 8.505 66 2HD LYS 296 HD3 LYS 296 6.991 10.153 8.489 67 1HE LYS 296 HE2 LYS 296 10.032 10.169 8.240 68 2HE LYS 296 HE3 LYS 296 9.255 10.365 9.810 69 1HZ LYS 296 HZ1 LYS 296 9.763 8.056 9.429 70 2HZ LYS 296 HZ2 LYS 296 8.144 8.234 9.511 71 3HZ LYS 296 HZ3 LYS 296 8.880 8.002 8.059 72 H GLU 297 H GLU 297 5.373 9.124 3.891 73 HA GLU 297 HA GLU 297 3.793 11.398 4.364 74 1HB GLU 297 HB2 GLU 297 4.414 10.347 2.148 75 2HB GLU 297 HB3 GLU 297 3.263 9.079 2.477 76 1HG GLU 297 HG2 GLU 297 1.418 10.765 2.524 77 2HG GLU 297 HG3 GLU 297 2.617 12.018 2.180 78 H LEU 298 H LEU 298 2.684 7.962 4.436 79 HA LEU 298 HA LEU 298 0.038 8.451 5.349 80 1HB LEU 298 HB2 LEU 298 0.926 6.352 4.287 81 2HB LEU 298 HB3 LEU 298 1.866 6.045 5.744 82 HG LEU 298 HG LEU 298 -0.379 6.008 7.020 83 1HD1 LEU 298 HD11 LEU 298 -1.444 5.728 4.172 84 2HD1 LEU 298 HD12 LEU 298 -2.366 5.436 5.664 85 3HD1 LEU 298 HD13 LEU 298 -1.798 7.067 5.288 86 1HD2 LEU 298 HD21 LEU 298 0.902 4.016 6.555 87 2HD2 LEU 298 HD22 LEU 298 -0.824 3.681 6.344 88 3HD2 LEU 298 HD23 LEU 298 0.213 3.901 4.914 89 H GLU 299 H GLU 299 3.032 7.745 7.178 90 HA GLU 299 HA GLU 299 1.834 7.609 9.766 91 1HB GLU 299 HB2 GLU 299 4.023 6.639 9.122 92 2HB GLU 299 HB3 GLU 299 4.669 8.258 8.842 93 1HG GLU 299 HG2 GLU 299 4.449 8.803 11.225 94 2HG GLU 299 HG3 GLU 299 3.710 7.224 11.535 95 H LEU 300 H LEU 300 3.454 10.323 8.080 96 HA LEU 300 HA LEU 300 3.238 12.235 10.195 97 1HB LEU 300 HB2 LEU 300 4.923 12.241 8.369 98 2HB LEU 300 HB3 LEU 300 3.646 12.494 7.182 99 HG LEU 300 HG LEU 300 3.208 14.754 8.142 100 1HD1 LEU 300 HD11 LEU 300 5.675 14.152 9.840 101 2HD1 LEU 300 HD12 LEU 300 4.902 15.745 9.660 102 3HD1 LEU 300 HD13 LEU 300 4.028 14.428 10.447 103 1HD2 LEU 300 HD21 LEU 300 5.254 15.779 7.258 104 2HD2 LEU 300 HD22 LEU 300 6.096 14.214 7.344 105 3HD2 LEU 300 HD23 LEU 300 4.726 14.437 6.233 106 H LEU 301 H LEU 301 0.997 11.338 7.599 107 HA LEU 301 HA LEU 301 -0.530 13.644 7.363 108 1HB LEU 301 HB2 LEU 301 -0.944 10.744 6.880 109 2HB LEU 301 HB3 LEU 301 -2.438 11.616 7.157 110 HG LEU 301 HG LEU 301 -0.374 12.480 5.089 111 1HD1 LEU 301 HD11 LEU 301 -2.950 10.880 4.744 112 2HD1 LEU 301 HD12 LEU 301 -1.918 11.495 3.432 113 3HD1 LEU 301 HD13 LEU 301 -1.296 10.260 4.535 114 1HD2 LEU 301 HD21 LEU 301 -1.884 14.310 5.789 115 2HD2 LEU 301 HD22 LEU 301 -2.292 13.766 4.161 116 3HD2 LEU 301 HD23 LEU 301 -3.294 13.260 5.537 117 H LEU 302 H LEU 302 -0.937 11.167 9.907 118 HA LEU 302 HA LEU 302 -3.137 12.443 11.281 119 1HB LEU 302 HB2 LEU 302 -0.994 10.423 11.921 120 2HB LEU 302 HB3 LEU 302 -1.859 11.137 13.270 121 HG LEU 302 HG LEU 302 -3.323 9.799 10.999 122 1HD1 LEU 302 HD11 LEU 302 -3.484 7.957 12.780 123 2HD1 LEU 302 HD12 LEU 302 -1.888 8.213 12.049 124 3HD1 LEU 302 HD13 LEU 302 -2.241 8.834 13.683 125 1HD2 LEU 302 HD21 LEU 302 -4.721 11.330 12.399 126 2HD2 LEU 302 HD22 LEU 302 -5.127 9.626 12.667 127 3HD2 LEU 302 HD23 LEU 302 -4.136 10.486 13.859 128 H MET 303 H MET 303 0.373 12.578 11.835 129 HA MET 303 HA MET 303 0.351 14.195 14.118 130 1HB MET 303 HB2 MET 303 2.530 13.868 12.041 131 2HB MET 303 HB3 MET 303 2.755 14.521 13.669 132 1HG MET 303 HG2 MET 303 2.016 12.387 14.646 133 2HG MET 303 HG3 MET 303 1.733 11.726 13.034 134 1HE MET 303 HE1 MET 303 3.224 9.889 14.726 135 2HE MET 303 HE2 MET 303 3.083 9.699 12.961 136 3HE MET 303 HE3 MET 303 4.662 9.493 13.750 137 H SER 304 H SER 304 0.230 15.200 10.750 138 HA SER 304 HA SER 304 1.021 17.889 10.933 139 1HB SER 304 HB2 SER 304 -0.156 18.245 8.872 140 2HB SER 304 HB3 SER 304 0.601 16.648 8.822 141 HG SER 304 HG SER 304 -1.395 15.695 9.132 142 H THR 305 H THR 305 -2.005 16.524 12.068 143 HA THR 305 HA THR 305 -3.756 18.691 11.756 144 HB THR 305 HB THR 305 -3.803 16.776 14.108 145 HG1 THR 305 HG1 THR 305 -3.694 15.404 12.524 146 1HG2 THR 305 HG21 THR 305 -5.553 18.469 14.200 147 2HG2 THR 305 HG22 THR 305 -6.006 18.146 12.516 148 3HG2 THR 305 HG23 THR 305 -6.254 16.908 13.779 149 H GLU 306 H GLU 306 -1.487 18.179 14.486 150 HA GLU 306 HA GLU 306 -2.621 20.237 16.132 151 1HB GLU 306 HB2 GLU 306 0.009 18.790 16.040 152 2HB GLU 306 HB3 GLU 306 -0.107 20.240 17.039 153 1HG GLU 306 HG2 GLU 306 -2.254 18.111 17.263 154 2HG GLU 306 HG3 GLU 306 -0.697 17.900 18.042 155 H ASN 307 H ASN 307 -0.145 20.366 13.580 156 HA ASN 307 HA ASN 307 0.553 23.152 13.886 157 1HB ASN 307 HB2 ASN 307 2.001 21.509 12.768 158 2HB ASN 307 HB3 ASN 307 0.786 21.238 11.523 159 1HD2 ASN 307 HD21 ASN 307 0.806 22.574 9.716 160 2HD2 ASN 307 HD22 ASN 307 1.834 23.994 9.599 161 H GLU 308 H GLU 308 -2.035 21.470 12.087 162 HA GLU 308 HA GLU 308 -2.968 23.839 10.672 163 1HB GLU 308 HB2 GLU 308 -4.462 21.269 11.364 164 2HB GLU 308 HB3 GLU 308 -4.996 22.523 10.248 165 1HG GLU 308 HG2 GLU 308 -2.927 22.096 8.869 166 2HG GLU 308 HG3 GLU 308 -2.561 20.730 9.912 167 H LEU 309 H LEU 309 -3.770 22.368 13.817 168 HA LEU 309 HA LEU 309 -6.089 24.110 14.218 169 1HB LEU 309 HB2 LEU 309 -4.820 21.758 15.593 170 2HB LEU 309 HB3 LEU 309 -5.831 22.814 16.562 171 HG LEU 309 HG LEU 309 -7.767 22.452 15.226 172 1HD1 LEU 309 HD11 LEU 309 -6.096 20.744 13.343 173 2HD1 LEU 309 HD12 LEU 309 -7.863 20.888 13.325 174 3HD1 LEU 309 HD13 LEU 309 -6.866 22.294 12.946 175 1HD2 LEU 309 HD21 LEU 309 -7.249 20.770 16.921 176 2HD2 LEU 309 HD22 LEU 309 -8.022 19.993 15.527 177 3HD2 LEU 309 HD23 LEU 309 -6.263 19.862 15.757 178 H LYS 310 H LYS 310 -3.051 23.687 16.137 179 HA LYS 310 HA LYS 310 -3.289 26.539 16.990 180 1HB LYS 310 HB2 LYS 310 -3.007 25.931 19.371 181 2HB LYS 310 HB3 LYS 310 -4.556 25.534 18.655 182 1HG LYS 310 HG2 LYS 310 -4.059 23.180 18.602 183 2HG LYS 310 HG3 LYS 310 -2.365 23.457 19.077 184 1HD LYS 310 HD2 LYS 310 -3.010 24.235 21.266 185 2HD LYS 310 HD3 LYS 310 -4.699 24.401 20.790 186 1HE LYS 310 HE2 LYS 310 -4.485 22.513 22.240 187 2HE LYS 310 HE3 LYS 310 -4.960 21.971 20.628 188 1HZ LYS 310 HZ1 LYS 310 -2.136 21.881 21.556 189 2HZ LYS 310 HZ2 LYS 310 -3.185 20.664 21.782 190 3HZ LYS 310 HZ3 LYS 310 -2.797 21.115 20.254 191 H GLY 311 H GLY 311 -1.182 24.235 15.875 192 1HA GLY 311 HA2 GLY 311 1.219 25.572 16.964 193 2HA GLY 311 HA3 GLY 311 1.183 24.217 15.833 194 H GLN 312 H GLN 312 -0.861 26.920 15.130 195 HA GLN 312 HA GLN 312 0.113 27.236 12.524 196 1HB GLN 312 HB2 GLN 312 -1.545 29.271 14.068 197 2HB GLN 312 HB3 GLN 312 -1.474 29.016 12.323 198 1HG GLN 312 HG2 GLN 312 -2.392 26.628 12.826 199 2HG GLN 312 HG3 GLN 312 -2.728 27.227 14.443 200 1HE2 GLN 312 HE22 GLN 312 -5.031 27.289 14.408 201 2HE2 GLN 312 HE21 GLN 312 -5.898 28.306 13.265 202 H GLN 313 H GLN 313 1.183 28.887 15.405 203 HA GLN 313 HA GLN 313 3.189 30.464 13.898 204 1HB GLN 313 HB2 GLN 313 1.351 31.667 16.009 205 2HB GLN 313 HB3 GLN 313 2.701 32.485 15.212 206 1HG GLN 313 HG2 GLN 313 1.431 32.147 13.019 207 2HG GLN 313 HG3 GLN 313 0.037 31.681 14.011 208 1HE2 GLN 313 HE22 GLN 313 0.687 33.760 16.209 209 2HE2 GLN 313 HE21 GLN 313 0.222 35.260 15.420 210 H ALA 314 H ALA 314 4.847 31.381 15.395 211 HA ALA 314 HA ALA 314 5.685 29.615 17.526 212 1HB ALA 314 HB1 ALA 314 6.593 32.425 16.752 213 2HB ALA 314 HB2 ALA 314 7.462 31.304 17.819 214 3HB ALA 314 HB3 ALA 314 7.248 30.900 16.106 215 H LEU 315 H LEU 315 3.472 32.268 17.455 216 HA LEU 315 HA LEU 315 3.060 32.219 20.373 217 1HB LEU 315 HB2 LEU 315 4.722 34.031 19.945 218 2HB LEU 315 HB3 LEU 315 3.636 34.742 18.753 219 HG LEU 315 HG LEU 315 1.967 35.199 20.552 220 1HD1 LEU 315 HD11 LEU 315 2.577 33.457 22.184 221 2HD1 LEU 315 HD12 LEU 315 4.180 34.196 22.402 222 3HD1 LEU 315 HD13 LEU 315 2.712 35.056 22.920 223 1HD2 LEU 315 HD21 LEU 315 3.235 37.027 21.593 224 2HD2 LEU 315 HD22 LEU 315 4.766 36.280 21.082 225 3HD2 LEU 315 HD23 LEU 315 3.620 36.895 19.869 226 1H GLY 586 H1 GLY 586 -1.204 11.422 42.787 227 2H GLY 586 H2 GLY 586 -1.902 10.093 42.129 228 3H GLY 586 H3 GLY 586 -0.379 10.512 41.703 229 1HA GLY 586 HA2 GLY 586 -2.801 12.100 41.133 230 2HA GLY 586 HA3 GLY 586 -1.150 12.530 40.651 231 H VAL 587 H VAL 587 -1.781 12.566 38.456 232 HA VAL 587 HA VAL 587 -1.923 9.901 37.108 233 HB VAL 587 HB VAL 587 -3.694 12.298 36.464 234 1HG1 VAL 587 HG11 VAL 587 -3.005 11.196 34.381 235 2HG1 VAL 587 HG12 VAL 587 -3.437 9.602 35.053 236 3HG1 VAL 587 HG13 VAL 587 -4.685 10.823 34.728 237 1HG2 VAL 587 HG21 VAL 587 -5.566 10.728 36.909 238 2HG2 VAL 587 HG22 VAL 587 -4.399 9.498 37.445 239 3HG2 VAL 587 HG23 VAL 587 -4.597 11.015 38.352 240 H ARG 588 H ARG 588 -0.130 9.771 35.927 241 HA ARG 588 HA ARG 588 1.544 12.053 35.350 242 1HB ARG 588 HB2 ARG 588 1.743 9.150 34.435 243 2HB ARG 588 HB3 ARG 588 2.984 10.380 34.183 244 1HG ARG 588 HG2 ARG 588 3.059 10.728 36.705 245 2HG ARG 588 HG3 ARG 588 1.979 9.338 36.864 246 1HD ARG 588 HD2 ARG 588 4.187 8.539 37.223 247 2HD ARG 588 HD3 ARG 588 3.686 7.948 35.628 248 HE ARG 588 HE ARG 588 5.051 10.435 35.298 249 1HH1 ARG 588 HH11 ARG 588 5.871 7.158 36.227 250 2HH1 ARG 588 HH12 ARG 588 7.527 7.328 35.706 251 1HH2 ARG 588 HH22 ARG 588 7.170 10.584 34.650 252 2HH2 ARG 588 HH21 ARG 588 8.234 9.220 34.834 253 H LYS 589 H LYS 589 -1.018 10.781 33.513 254 HA LYS 589 HA LYS 589 -0.110 11.540 30.859 255 1HB LYS 589 HB2 LYS 589 -2.898 10.827 31.868 256 2HB LYS 589 HB3 LYS 589 -2.415 10.972 30.171 257 1HG LYS 589 HG2 LYS 589 -0.808 9.123 30.419 258 2HG LYS 589 HG3 LYS 589 -1.186 8.999 32.133 259 1HD LYS 589 HD2 LYS 589 -2.353 7.266 31.263 260 2HD LYS 589 HD3 LYS 589 -3.615 8.481 31.449 261 1HE LYS 589 HE2 LYS 589 -2.152 8.226 28.814 262 2HE LYS 589 HE3 LYS 589 -3.278 6.949 29.259 263 1HZ LYS 589 HZ1 LYS 589 -4.074 9.810 29.100 264 2HZ LYS 589 HZ2 LYS 589 -4.299 8.726 27.912 265 3HZ LYS 589 HZ3 LYS 589 -5.068 8.517 29.336 266 H GLY 590 H GLY 590 0.361 13.734 32.378 267 1HA GLY 590 HA2 GLY 590 -1.625 15.729 32.620 268 2HA GLY 590 HA3 GLY 590 0.114 16.010 32.506 269 H TRP 591 H TRP 591 -0.044 14.685 29.694 270 HA TRP 591 HA TRP 591 -0.205 16.926 28.004 271 1HB TRP 591 HB2 TRP 591 -0.101 15.383 26.229 272 2HB TRP 591 HB3 TRP 591 0.871 14.758 27.543 273 HD1 TRP 591 HD1 TRP 591 0.148 12.472 28.684 274 HE1 TRP 591 HE1 TRP 591 -1.045 10.451 27.647 275 HE3 TRP 591 HE3 TRP 591 -2.330 14.849 24.877 276 HZ2 TRP 591 HZ2 TRP 591 -2.786 9.921 25.441 277 HZ3 TRP 591 HZ3 TRP 591 -3.695 13.527 23.272 278 HH2 TRP 591 HH2 TRP 591 -3.905 11.075 23.535 279 H HIS 592 H HIS 592 -2.864 15.092 29.298 280 HA HIS 592 HA HIS 592 -4.953 15.703 27.490 281 1HB HIS 592 HB2 HIS 592 -4.892 15.363 30.509 282 2HB HIS 592 HB3 HIS 592 -6.371 15.527 29.571 283 HD1 HIS 592 HD1 HIS 592 -7.262 13.134 30.108 284 HD2 HIS 592 HD2 HIS 592 -3.428 13.222 28.349 285 HE1 HIS 592 HE1 HIS 592 -6.701 10.730 29.478 286 H GLU 593 H GLU 593 -3.341 17.827 29.853 287 HA GLU 593 HA GLU 593 -5.280 19.951 29.866 288 1HB GLU 593 HB2 GLU 593 -2.281 19.905 30.396 289 2HB GLU 593 HB3 GLU 593 -3.327 21.271 30.737 290 1HG GLU 593 HG2 GLU 593 -3.642 18.524 32.022 291 2HG GLU 593 HG3 GLU 593 -2.796 19.886 32.737 292 H HIS 594 H HIS 594 -3.306 18.897 27.313 293 HA HIS 594 HA HIS 594 -3.501 21.525 25.898 294 1HB HIS 594 HB2 HIS 594 -1.206 20.767 26.601 295 2HB HIS 594 HB3 HIS 594 -1.402 19.350 25.571 296 HD1 HIS 594 HD1 HIS 594 -1.461 23.232 25.135 297 HD2 HIS 594 HD2 HIS 594 -0.483 19.643 23.167 298 HE1 HIS 594 HE1 HIS 594 -0.447 23.909 22.894 299 H VAL 595 H VAL 595 -5.060 18.675 26.010 300 HA VAL 595 HA VAL 595 -5.391 18.166 23.109 301 HB VAL 595 HB VAL 595 -6.746 17.022 25.589 302 1HG1 VAL 595 HG11 VAL 595 -7.058 16.159 22.679 303 2HG1 VAL 595 HG12 VAL 595 -7.619 15.248 24.101 304 3HG1 VAL 595 HG13 VAL 595 -8.337 16.806 23.740 305 1HG2 VAL 595 HG21 VAL 595 -4.755 15.785 23.632 306 2HG2 VAL 595 HG22 VAL 595 -4.353 16.362 25.258 307 3HG2 VAL 595 HG23 VAL 595 -5.453 15.005 25.072 308 H THR 596 H THR 596 -7.350 18.565 21.986 309 HA THR 596 HA THR 596 -9.448 20.221 23.300 310 HB THR 596 HB THR 596 -9.740 21.561 21.295 311 HG1 THR 596 HG1 THR 596 -8.122 21.479 19.674 312 1HG2 THR 596 HG21 THR 596 -8.179 22.442 23.013 313 2HG2 THR 596 HG22 THR 596 -6.820 21.688 22.152 314 3HG2 THR 596 HG23 THR 596 -7.762 22.981 21.376 315 H GLN 597 H GLN 597 -11.573 19.939 22.382 316 HA GLN 597 HA GLN 597 -12.152 17.296 21.462 317 1HB GLN 597 HB2 GLN 597 -13.734 18.787 22.674 318 2HB GLN 597 HB3 GLN 597 -13.869 19.798 21.222 319 1HG GLN 597 HG2 GLN 597 -14.840 17.917 19.964 320 2HG GLN 597 HG3 GLN 597 -14.526 16.821 21.312 321 1HE2 GLN 597 HE22 GLN 597 -16.732 16.217 21.618 322 2HE2 GLN 597 HE21 GLN 597 -17.919 17.373 22.209 323 H ASP 598 H ASP 598 -11.626 20.343 19.670 324 HA ASP 598 HA ASP 598 -12.322 19.446 17.063 325 1HB ASP 598 HB2 ASP 598 -10.226 21.462 17.969 326 2HB ASP 598 HB3 ASP 598 -10.754 21.243 16.302 327 H LEU 599 H LEU 599 -9.189 19.150 18.832 328 HA LEU 599 HA LEU 599 -7.786 17.849 16.703 329 1HB LEU 599 HB2 LEU 599 -6.691 18.878 18.684 330 2HB LEU 599 HB3 LEU 599 -7.404 17.645 19.719 331 HG LEU 599 HG LEU 599 -6.127 15.886 18.463 332 1HD1 LEU 599 HD11 LEU 599 -4.217 16.614 17.056 333 2HD1 LEU 599 HD12 LEU 599 -5.758 17.047 16.323 334 3HD1 LEU 599 HD13 LEU 599 -4.791 18.293 17.144 335 1HD2 LEU 599 HD21 LEU 599 -4.453 18.126 19.666 336 2HD2 LEU 599 HD22 LEU 599 -5.266 16.823 20.564 337 3HD2 LEU 599 HD23 LEU 599 -3.945 16.434 19.453 338 H ARG 600 H ARG 600 -9.506 16.433 19.555 339 HA ARG 600 HA ARG 600 -9.191 13.698 18.843 340 1HB ARG 600 HB2 ARG 600 -11.553 15.029 20.248 341 2HB ARG 600 HB3 ARG 600 -11.234 13.302 20.229 342 1HG ARG 600 HG2 ARG 600 -9.435 15.416 21.488 343 2HG ARG 600 HG3 ARG 600 -10.570 14.396 22.350 344 1HD ARG 600 HD2 ARG 600 -8.126 13.440 20.804 345 2HD ARG 600 HD3 ARG 600 -8.219 13.622 22.548 346 HE ARG 600 HE ARG 600 -9.119 11.377 21.001 347 1HH1 ARG 600 HH12 ARG 600 -9.748 12.972 24.064 348 2HH1 ARG 600 HH11 ARG 600 -10.549 11.567 24.705 349 1HH2 ARG 600 HH21 ARG 600 -10.282 9.772 21.769 350 2HH2 ARG 600 HH22 ARG 600 -10.842 9.772 23.438 351 H SER 601 H SER 601 -11.909 15.859 17.892 352 HA SER 601 HA SER 601 -13.356 14.020 16.314 353 1HB SER 601 HB2 SER 601 -12.928 17.010 15.941 354 2HB SER 601 HB3 SER 601 -14.148 16.054 15.075 355 HG SER 601 HG SER 601 -15.038 17.041 16.944 356 H HIS 602 H HIS 602 -10.814 16.338 15.168 357 HA HIS 602 HA HIS 602 -10.979 15.412 12.456 358 1HB HIS 602 HB2 HIS 602 -10.234 17.653 13.153 359 2HB HIS 602 HB3 HIS 602 -8.798 16.962 13.885 360 HD1 HIS 602 HD1 HIS 602 -10.104 18.265 10.625 361 HD2 HIS 602 HD2 HIS 602 -7.113 15.609 11.921 362 HE1 HIS 602 HE1 HIS 602 -8.544 17.919 8.640 363 H LEU 603 H LEU 603 -8.808 14.457 15.173 364 HA LEU 603 HA LEU 603 -7.195 12.699 13.543 365 1HB LEU 603 HB2 LEU 603 -7.700 12.745 16.546 366 2HB LEU 603 HB3 LEU 603 -6.556 11.683 15.742 367 HG LEU 603 HG LEU 603 -6.405 14.707 15.992 368 1HD1 LEU 603 HD11 LEU 603 -4.226 14.193 16.995 369 2HD1 LEU 603 HD12 LEU 603 -5.541 13.372 17.839 370 3HD1 LEU 603 HD13 LEU 603 -4.497 12.458 16.721 371 1HD2 LEU 603 HD21 LEU 603 -5.752 14.307 13.701 372 2HD2 LEU 603 HD22 LEU 603 -4.355 14.683 14.693 373 3HD2 LEU 603 HD23 LEU 603 -4.662 12.991 14.212 374 H VAL 604 H VAL 604 -10.188 12.017 15.458 375 HA VAL 604 HA VAL 604 -10.360 9.241 14.736 376 HB VAL 604 HB VAL 604 -12.512 11.313 15.297 377 1HG1 VAL 604 HG11 VAL 604 -13.547 9.564 13.858 378 2HG1 VAL 604 HG12 VAL 604 -12.925 8.305 14.954 379 3HG1 VAL 604 HG13 VAL 604 -14.127 9.495 15.507 380 1HG2 VAL 604 HG21 VAL 604 -11.058 10.554 17.213 381 2HG2 VAL 604 HG22 VAL 604 -12.761 10.135 17.412 382 3HG2 VAL 604 HG23 VAL 604 -11.598 8.894 16.909 383 H HIS 605 H HIS 605 -11.621 12.156 13.007 384 HA HIS 605 HA HIS 605 -12.708 10.750 10.815 385 1HB HIS 605 HB2 HIS 605 -13.105 13.151 11.411 386 2HB HIS 605 HB3 HIS 605 -11.504 13.545 10.787 387 HD1 HIS 605 HD1 HIS 605 -14.988 12.479 9.577 388 HD2 HIS 605 HD2 HIS 605 -11.204 13.579 8.096 389 HE1 HIS 605 HE1 HIS 605 -15.282 12.846 7.072 390 H LYS 606 H LYS 606 -9.421 12.105 11.148 391 HA LYS 606 HA LYS 606 -8.514 11.214 8.570 392 1HB LYS 606 HB2 LYS 606 -7.604 13.074 9.940 393 2HB LYS 606 HB3 LYS 606 -6.837 11.903 11.015 394 1HG LYS 606 HG2 LYS 606 -5.161 11.443 9.503 395 2HG LYS 606 HG3 LYS 606 -6.245 11.505 8.112 396 1HD LYS 606 HD2 LYS 606 -4.558 13.289 8.012 397 2HD LYS 606 HD3 LYS 606 -6.207 13.925 8.064 398 1HE LYS 606 HE2 LYS 606 -5.962 14.372 10.499 399 2HE LYS 606 HE3 LYS 606 -4.312 13.748 10.446 400 1HZ LYS 606 HZ1 LYS 606 -4.393 16.136 10.338 401 2HZ LYS 606 HZ2 LYS 606 -3.715 15.548 8.968 402 3HZ LYS 606 HZ3 LYS 606 -5.274 16.130 8.972 403 H LEU 607 H LEU 607 -8.525 9.580 11.708 404 HA LEU 607 HA LEU 607 -7.083 7.225 10.911 405 1HB LEU 607 HB2 LEU 607 -8.254 8.075 13.273 406 2HB LEU 607 HB3 LEU 607 -9.427 6.904 12.741 407 HG LEU 607 HG LEU 607 -7.266 5.346 12.454 408 1HD1 LEU 607 HD11 LEU 607 -5.605 7.113 13.027 409 2HD1 LEU 607 HD12 LEU 607 -6.391 7.372 14.586 410 3HD1 LEU 607 HD13 LEU 607 -5.588 5.831 14.256 411 1HD2 LEU 607 HD21 LEU 607 -7.573 4.571 14.773 412 2HD2 LEU 607 HD22 LEU 607 -8.457 6.064 15.164 413 3HD2 LEU 607 HD23 LEU 607 -9.130 4.902 14.002 414 H VAL 608 H VAL 608 -10.613 7.920 10.915 415 HA VAL 608 HA VAL 608 -11.530 5.590 9.621 416 HB VAL 608 HB VAL 608 -12.657 8.404 9.724 417 1HG1 VAL 608 HG11 VAL 608 -14.822 7.475 9.017 418 2HG1 VAL 608 HG12 VAL 608 -13.645 7.362 7.722 419 3HG1 VAL 608 HG13 VAL 608 -14.044 5.910 8.673 420 1HG2 VAL 608 HG21 VAL 608 -14.179 7.446 11.363 421 2HG2 VAL 608 HG22 VAL 608 -13.518 5.818 11.082 422 3HG2 VAL 608 HG23 VAL 608 -12.527 7.069 11.856 423 H GLN 609 H GLN 609 -10.574 8.688 8.025 424 HA GLN 609 HA GLN 609 -11.221 7.896 5.383 425 1HB GLN 609 HB2 GLN 609 -9.049 9.756 6.421 426 2HB GLN 609 HB3 GLN 609 -9.429 9.597 4.713 427 1HG GLN 609 HG2 GLN 609 -11.507 10.405 6.775 428 2HG GLN 609 HG3 GLN 609 -10.514 11.562 5.897 429 1HE2 GLN 609 HE22 GLN 609 -13.015 12.114 5.510 430 2HE2 GLN 609 HE21 GLN 609 -13.622 11.476 3.979 431 H ALA 610 H ALA 610 -8.180 7.299 7.194 432 HA ALA 610 HA ALA 610 -6.919 6.020 4.907 433 1HB ALA 610 HB1 ALA 610 -5.604 7.014 6.757 434 2HB ALA 610 HB2 ALA 610 -6.232 5.753 7.857 435 3HB ALA 610 HB3 ALA 610 -5.219 5.302 6.464 436 H ILE 611 H ILE 611 -8.728 4.820 7.761 437 HA ILE 611 HA ILE 611 -8.397 2.032 7.350 438 HB ILE 611 HB ILE 611 -10.646 3.619 8.641 439 1HG1 ILE 611 HG12 ILE 611 -8.459 1.914 9.882 440 2HG1 ILE 611 HG13 ILE 611 -8.241 3.611 9.623 441 1HG2 ILE 611 HG21 ILE 611 -11.567 1.432 7.952 442 2HG2 ILE 611 HG22 ILE 611 -10.184 0.602 8.679 443 3HG2 ILE 611 HG23 ILE 611 -11.357 1.470 9.693 444 1HD1 ILE 611 HD11 ILE 611 -8.875 3.265 11.918 445 2HD1 ILE 611 HD12 ILE 611 -10.211 4.094 11.098 446 3HD1 ILE 611 HD13 ILE 611 -10.318 2.354 11.461 447 H PHE 612 H PHE 612 -11.049 4.174 6.115 448 HA PHE 612 HA PHE 612 -11.080 2.515 3.687 449 1HB PHE 612 HB2 PHE 612 -12.709 1.412 5.066 450 2HB PHE 612 HB3 PHE 612 -13.513 2.928 5.426 451 HD1 PHE 612 HD1 PHE 612 -12.397 2.207 1.928 452 HD2 PHE 612 HD2 PHE 612 -15.652 1.987 4.750 453 HE1 PHE 612 HE1 PHE 612 -13.978 1.824 0.070 454 HE2 PHE 612 HE2 PHE 612 -17.216 1.519 2.895 455 HZ PHE 612 HZ PHE 612 -16.377 1.405 0.549 456 HA PRO 613 HA PRO 613 -11.153 6.897 2.418 457 1HB PRO 613 HB2 PRO 613 -10.995 5.475 -0.243 458 2HB PRO 613 HB3 PRO 613 -10.139 6.955 0.297 459 1HG PRO 613 HG2 PRO 613 -8.849 4.583 0.307 460 2HG PRO 613 HG3 PRO 613 -8.689 5.681 1.718 461 1HD PRO 613 HD2 PRO 613 -10.473 3.263 1.405 462 2HD PRO 613 HD3 PRO 613 -9.458 3.737 2.798 463 H THR 614 H THR 614 -13.545 4.568 1.885 464 HA THR 614 HA THR 614 -15.694 4.570 1.501 465 HB THR 614 HB THR 614 -15.390 6.975 2.630 466 HG1 THR 614 HG1 THR 614 -17.040 5.668 3.102 467 1HG2 THR 614 HG21 THR 614 -15.445 8.275 0.459 468 2HG2 THR 614 HG22 THR 614 -17.055 7.610 0.162 469 3HG2 THR 614 HG23 THR 614 -16.770 8.652 1.559 470 HA PRO 615 HA PRO 615 -16.154 4.583 -2.928 471 1HB PRO 615 HB2 PRO 615 -18.610 3.515 -3.242 472 2HB PRO 615 HB3 PRO 615 -17.309 2.600 -2.418 473 1HG PRO 615 HG2 PRO 615 -19.571 4.126 -1.143 474 2HG PRO 615 HG3 PRO 615 -18.953 2.493 -0.744 475 1HD PRO 615 HD2 PRO 615 -18.190 4.865 0.525 476 2HD PRO 615 HD3 PRO 615 -17.230 3.388 0.540 477 H ASP 616 H ASP 616 -18.516 6.281 -0.945 478 HA ASP 616 HA ASP 616 -18.950 8.495 -2.811 479 1HB ASP 616 HB2 ASP 616 -20.544 6.641 -3.510 480 2HB ASP 616 HB3 ASP 616 -21.213 6.696 -1.882 481 HA PRO 617 HA PRO 617 -19.241 10.192 1.286 482 1HB PRO 617 HB2 PRO 617 -20.514 12.629 0.891 483 2HB PRO 617 HB3 PRO 617 -18.803 12.274 0.523 484 1HG PRO 617 HG2 PRO 617 -21.144 12.376 -1.354 485 2HG PRO 617 HG3 PRO 617 -19.459 12.908 -1.637 486 1HD PRO 617 HD2 PRO 617 -20.540 10.541 -2.536 487 2HD PRO 617 HD3 PRO 617 -18.812 10.685 -2.234 488 H ALA 618 H ALA 618 -22.231 9.404 -0.361 489 HA ALA 618 HA ALA 618 -23.907 9.752 2.001 490 1HB ALA 618 HB1 ALA 618 -24.264 7.941 -0.426 491 2HB ALA 618 HB2 ALA 618 -25.510 8.385 0.756 492 3HB ALA 618 HB3 ALA 618 -24.820 9.628 -0.306 493 H ALA 619 H ALA 619 -21.646 7.227 0.877 494 HA ALA 619 HA ALA 619 -22.602 5.116 2.578 495 1HB ALA 619 HB1 ALA 619 -20.487 4.030 2.015 496 2HB ALA 619 HB2 ALA 619 -21.179 4.781 0.560 497 3HB ALA 619 HB3 ALA 619 -19.847 5.573 1.435 498 H LEU 620 H LEU 620 -20.388 7.831 3.184 499 HA LEU 620 HA LEU 620 -19.126 7.069 5.548 500 1HB LEU 620 HB2 LEU 620 -20.243 9.779 4.726 501 2HB LEU 620 HB3 LEU 620 -19.127 9.541 6.051 502 HG LEU 620 HG LEU 620 -18.458 8.844 3.168 503 1HD1 LEU 620 HD11 LEU 620 -17.679 11.289 4.813 504 2HD1 LEU 620 HD12 LEU 620 -17.129 10.907 3.166 505 3HD1 LEU 620 HD13 LEU 620 -18.834 11.276 3.466 506 1HD2 LEU 620 HD21 LEU 620 -17.077 7.620 4.806 507 2HD2 LEU 620 HD22 LEU 620 -16.113 8.875 4.024 508 3HD2 LEU 620 HD23 LEU 620 -16.724 9.129 5.672 509 H LYS 621 H LYS 621 -22.501 7.877 5.170 510 HA LYS 621 HA LYS 621 -22.924 7.549 8.123 511 1HB LYS 621 HB2 LYS 621 -24.923 8.946 7.931 512 2HB LYS 621 HB3 LYS 621 -23.437 9.777 7.524 513 1HG LYS 621 HG2 LYS 621 -25.110 10.537 6.039 514 2HG LYS 621 HG3 LYS 621 -23.978 9.579 5.092 515 1HD LYS 621 HD2 LYS 621 -25.586 7.694 5.058 516 2HD LYS 621 HD3 LYS 621 -26.686 8.596 6.121 517 1HE LYS 621 HE2 LYS 621 -26.929 10.346 4.401 518 2HE LYS 621 HE3 LYS 621 -25.758 9.519 3.364 519 1HZ LYS 621 HZ1 LYS 621 -27.296 7.644 3.211 520 2HZ LYS 621 HZ2 LYS 621 -28.376 8.381 4.194 521 3HZ LYS 621 HZ3 LYS 621 -28.054 9.007 2.724 522 H ASP 622 H ASP 622 -23.123 5.717 5.491 523 HA ASP 622 HA ASP 622 -25.687 4.372 5.908 524 1HB ASP 622 HB2 ASP 622 -24.369 4.328 3.770 525 2HB ASP 622 HB3 ASP 622 -23.127 3.371 4.588 526 H ARG 623 H ARG 623 -25.982 2.405 7.072 527 HA ARG 623 HA ARG 623 -24.601 2.334 9.598 528 1HB ARG 623 HB2 ARG 623 -26.740 0.624 8.315 529 2HB ARG 623 HB3 ARG 623 -25.981 0.131 9.828 530 1HG ARG 623 HG2 ARG 623 -28.038 1.360 10.280 531 2HG ARG 623 HG3 ARG 623 -26.627 2.191 10.938 532 1HD ARG 623 HD2 ARG 623 -26.648 3.735 8.982 533 2HD ARG 623 HD3 ARG 623 -28.113 2.939 8.384 534 HE ARG 623 HE ARG 623 -29.125 3.612 10.649 535 1HH1 ARG 623 HH21 ARG 623 -26.736 5.727 9.068 536 2HH1 ARG 623 HH22 ARG 623 -27.367 7.110 9.897 537 1HH2 ARG 623 HH11 ARG 623 -29.823 5.458 11.608 538 2HH2 ARG 623 HH12 ARG 623 -29.051 6.976 11.263 539 H ARG 624 H ARG 624 -24.008 0.720 6.647 540 HA ARG 624 HA ARG 624 -22.197 -1.360 7.639 541 1HB ARG 624 HB2 ARG 624 -22.537 -0.103 4.887 542 2HB ARG 624 HB3 ARG 624 -21.478 -1.469 5.232 543 1HG ARG 624 HG2 ARG 624 -23.266 -2.901 5.862 544 2HG ARG 624 HG3 ARG 624 -24.448 -1.590 5.909 545 1HD ARG 624 HD2 ARG 624 -23.013 -2.422 3.362 546 2HD ARG 624 HD3 ARG 624 -24.558 -3.110 3.901 547 HE ARG 624 HE ARG 624 -24.689 -0.225 3.903 548 1HH1 ARG 624 HH11 ARG 624 -24.892 -2.942 1.681 549 2HH1 ARG 624 HH12 ARG 624 -25.912 -2.067 0.569 550 1HH2 ARG 624 HH21 ARG 624 -25.944 0.833 2.445 551 2HH2 ARG 624 HH22 ARG 624 -26.493 0.021 0.992 552 H MET 625 H MET 625 -21.756 2.068 7.221 553 HA MET 625 HA MET 625 -18.844 1.656 7.757 554 1HB MET 625 HB2 MET 625 -19.432 2.924 5.613 555 2HB MET 625 HB3 MET 625 -19.995 4.228 6.678 556 1HG MET 625 HG2 MET 625 -17.826 4.476 7.667 557 2HG MET 625 HG3 MET 625 -17.246 2.967 6.962 558 1HE MET 625 HE1 MET 625 -15.005 4.259 6.385 559 2HE MET 625 HE2 MET 625 -14.971 5.766 5.450 560 3HE MET 625 HE3 MET 625 -15.732 5.730 7.057 561 H GLU 626 H GLU 626 -21.794 3.288 8.996 562 HA GLU 626 HA GLU 626 -20.655 4.689 11.140 563 1HB GLU 626 HB2 GLU 626 -23.215 3.143 10.927 564 2HB GLU 626 HB3 GLU 626 -22.786 4.023 12.385 565 1HG GLU 626 HG2 GLU 626 -22.754 5.414 9.678 566 2HG GLU 626 HG3 GLU 626 -24.225 5.212 10.609 567 H ASN 627 H ASN 627 -21.177 1.182 10.886 568 HA ASN 627 HA ASN 627 -20.341 0.511 13.556 569 1HB ASN 627 HB2 ASN 627 -21.700 -0.888 11.919 570 2HB ASN 627 HB3 ASN 627 -20.210 -1.192 11.026 571 1HD2 ASN 627 HD22 ASN 627 -20.664 -3.485 11.455 572 2HD2 ASN 627 HD21 ASN 627 -20.264 -4.144 13.032 573 H LEU 628 H LEU 628 -18.528 0.776 10.488 574 HA LEU 628 HA LEU 628 -15.938 0.002 11.480 575 1HB LEU 628 HB2 LEU 628 -16.580 -0.040 9.148 576 2HB LEU 628 HB3 LEU 628 -16.874 1.679 9.108 577 HG LEU 628 HG LEU 628 -14.093 0.580 9.648 578 1HD1 LEU 628 HD11 LEU 628 -14.965 -0.349 7.525 579 2HD1 LEU 628 HD12 LEU 628 -15.407 1.283 6.986 580 3HD1 LEU 628 HD13 LEU 628 -13.701 0.845 7.226 581 1HD2 LEU 628 HD21 LEU 628 -15.182 3.248 8.612 582 2HD2 LEU 628 HD22 LEU 628 -14.222 2.983 10.088 583 3HD2 LEU 628 HD23 LEU 628 -13.476 2.790 8.510 584 H VAL 629 H VAL 629 -17.487 3.165 11.010 585 HA VAL 629 HA VAL 629 -15.536 4.893 12.128 586 HB VAL 629 HB VAL 629 -18.543 5.009 11.825 587 1HG1 VAL 629 HG11 VAL 629 -18.493 7.415 12.278 588 2HG1 VAL 629 HG12 VAL 629 -18.158 6.467 13.724 589 3HG1 VAL 629 HG13 VAL 629 -16.815 7.276 12.869 590 1HG2 VAL 629 HG21 VAL 629 -16.334 6.622 10.505 591 2HG2 VAL 629 HG22 VAL 629 -17.029 5.151 9.804 592 3HG2 VAL 629 HG23 VAL 629 -18.049 6.574 10.050 593 H ALA 630 H ALA 630 -18.199 3.161 13.813 594 HA ALA 630 HA ALA 630 -17.608 4.154 16.419 595 1HB ALA 630 HB1 ALA 630 -19.004 2.276 17.181 596 2HB ALA 630 HB2 ALA 630 -19.751 3.105 15.803 597 3HB ALA 630 HB3 ALA 630 -18.935 1.543 15.568 598 H TYR 631 H TYR 631 -16.396 1.211 14.689 599 HA TYR 631 HA TYR 631 -14.705 0.379 16.852 600 1HB TYR 631 HB2 TYR 631 -14.311 -1.357 15.583 601 2HB TYR 631 HB3 TYR 631 -15.407 -0.696 14.433 602 HD1 TYR 631 HD1 TYR 631 -14.639 -1.507 12.443 603 HD2 TYR 631 HD2 TYR 631 -11.696 0.059 15.147 604 HE1 TYR 631 HE1 TYR 631 -12.900 -1.861 10.757 605 HE2 TYR 631 HE2 TYR 631 -10.010 -0.028 13.349 606 HH TYR 631 HH TYR 631 -10.769 -1.350 10.105 607 H ALA 632 H ALA 632 -13.998 2.532 14.036 608 HA ALA 632 HA ALA 632 -11.337 3.132 14.743 609 1HB ALA 632 HB1 ALA 632 -11.617 5.098 13.317 610 2HB ALA 632 HB2 ALA 632 -12.415 3.689 12.586 611 3HB ALA 632 HB3 ALA 632 -13.382 4.941 13.397 612 H LYS 633 H LYS 633 -14.354 4.753 15.883 613 HA LYS 633 HA LYS 633 -13.057 6.657 17.631 614 1HB LYS 633 HB2 LYS 633 -15.818 5.373 17.606 615 2HB LYS 633 HB3 LYS 633 -15.330 6.527 18.854 616 1HG LYS 633 HG2 LYS 633 -14.882 8.244 17.229 617 2HG LYS 633 HG3 LYS 633 -15.190 7.142 15.875 618 1HD LYS 633 HD2 LYS 633 -17.546 6.884 16.606 619 2HD LYS 633 HD3 LYS 633 -17.248 8.007 17.954 620 1HE LYS 633 HE2 LYS 633 -16.635 9.786 16.332 621 2HE LYS 633 HE3 LYS 633 -16.917 8.669 14.990 622 1HZ LYS 633 HZ1 LYS 633 -18.850 10.088 15.381 623 2HZ LYS 633 HZ2 LYS 633 -19.259 8.538 15.688 624 3HZ LYS 633 HZ3 LYS 633 -18.990 9.575 16.922 625 H LYS 634 H LYS 634 -14.221 3.347 18.296 626 HA LYS 634 HA LYS 634 -13.482 3.298 21.068 627 1HB LYS 634 HB2 LYS 634 -15.057 1.727 19.961 628 2HB LYS 634 HB3 LYS 634 -13.698 0.953 19.129 629 1HG LYS 634 HG2 LYS 634 -12.710 0.295 21.280 630 2HG LYS 634 HG3 LYS 634 -13.971 1.157 22.167 631 1HD LYS 634 HD2 LYS 634 -14.475 -1.205 20.303 632 2HD LYS 634 HD3 LYS 634 -14.260 -1.331 22.055 633 1HE LYS 634 HE2 LYS 634 -16.216 0.205 22.377 634 2HE LYS 634 HE3 LYS 634 -16.475 0.210 20.628 635 1HZ LYS 634 HZ1 LYS 634 -16.585 -2.204 22.362 636 2HZ LYS 634 HZ2 LYS 634 -17.879 -1.439 21.731 637 3HZ LYS 634 HZ3 LYS 634 -16.828 -2.205 20.745 638 H VAL 635 H VAL 635 -11.627 2.257 18.192 639 HA VAL 635 HA VAL 635 -9.209 1.521 19.538 640 HB VAL 635 HB VAL 635 -9.705 2.606 16.737 641 1HG1 VAL 635 HG11 VAL 635 -7.428 1.709 16.187 642 2HG1 VAL 635 HG12 VAL 635 -7.373 3.123 17.237 643 3HG1 VAL 635 HG13 VAL 635 -7.122 1.505 17.928 644 1HG2 VAL 635 HG21 VAL 635 -9.352 0.280 16.065 645 2HG2 VAL 635 HG22 VAL 635 -9.026 -0.189 17.751 646 3HG2 VAL 635 HG23 VAL 635 -10.637 0.338 17.277 647 H GLU 636 H GLU 636 -10.101 4.699 18.039 648 HA GLU 636 HA GLU 636 -7.777 6.063 18.779 649 1HB GLU 636 HB2 GLU 636 -9.535 6.799 17.188 650 2HB GLU 636 HB3 GLU 636 -10.599 7.191 18.522 651 1HG GLU 636 HG2 GLU 636 -7.814 8.391 18.174 652 2HG GLU 636 HG3 GLU 636 -9.220 9.074 17.389 653 H GLY 637 H GLY 637 -10.799 5.792 20.707 654 1HA GLY 637 HA2 GLY 637 -9.892 7.294 22.960 655 2HA GLY 637 HA3 GLY 637 -11.216 6.123 22.936 656 H ASP 638 H ASP 638 -9.214 3.928 22.083 657 HA ASP 638 HA ASP 638 -8.345 3.196 24.815 658 1HB ASP 638 HB2 ASP 638 -9.502 1.602 23.270 659 2HB ASP 638 HB3 ASP 638 -8.111 1.679 22.186 660 H MET 639 H MET 639 -6.904 4.071 21.673 661 HA MET 639 HA MET 639 -4.126 3.725 22.456 662 1HB MET 639 HB2 MET 639 -5.395 5.471 20.315 663 2HB MET 639 HB3 MET 639 -3.671 5.134 20.463 664 1HG MET 639 HG2 MET 639 -5.824 3.048 19.908 665 2HG MET 639 HG3 MET 639 -4.804 3.801 18.709 666 1HE MET 639 HE1 MET 639 -3.871 0.201 21.389 667 2HE MET 639 HE2 MET 639 -4.657 1.615 22.107 668 3HE MET 639 HE3 MET 639 -5.440 0.753 20.766 669 H TYR 640 H TYR 640 -6.417 6.451 22.586 670 HA TYR 640 HA TYR 640 -4.764 8.479 23.666 671 1HB TYR 640 HB2 TYR 640 -7.053 8.683 22.750 672 2HB TYR 640 HB3 TYR 640 -7.694 7.828 24.136 673 HD1 TYR 640 HD1 TYR 640 -6.178 10.958 22.896 674 HD2 TYR 640 HD2 TYR 640 -7.992 9.005 26.285 675 HE1 TYR 640 HE1 TYR 640 -6.399 13.151 24.038 676 HE2 TYR 640 HE2 TYR 640 -8.275 11.214 27.401 677 HH TYR 640 HH TYR 640 -7.929 13.478 27.262 678 H GLU 641 H GLU 641 -6.342 5.732 25.357 679 HA GLU 641 HA GLU 641 -5.297 6.644 27.958 680 1HB GLU 641 HB2 GLU 641 -7.132 4.418 27.062 681 2HB GLU 641 HB3 GLU 641 -6.498 4.490 28.700 682 1HG GLU 641 HG2 GLU 641 -8.047 6.784 27.425 683 2HG GLU 641 HG3 GLU 641 -8.784 5.506 28.382 684 H SER 642 H SER 642 -3.899 5.023 25.437 685 HA SER 642 HA SER 642 -2.268 3.221 27.177 686 1HB SER 642 HB2 SER 642 -2.628 3.272 24.162 687 2HB SER 642 HB3 SER 642 -1.637 2.117 25.069 688 HG SER 642 HG SER 642 -4.453 2.462 25.155 689 H ALA 643 H ALA 643 -1.913 6.317 26.472 690 HA ALA 643 HA ALA 643 0.994 6.159 25.775 691 1HB ALA 643 HB1 ALA 643 -1.175 7.994 24.697 692 2HB ALA 643 HB2 ALA 643 0.559 8.164 24.371 693 3HB ALA 643 HB3 ALA 643 -0.308 6.722 23.804 694 H ASN 644 H ASN 644 2.345 7.266 27.008 695 HA ASN 644 HA ASN 644 1.379 8.834 29.266 696 1HB ASN 644 HB2 ASN 644 3.489 8.656 30.121 697 2HB ASN 644 HB3 ASN 644 3.457 7.223 29.107 698 1HD2 ASN 644 HD22 ASN 644 4.516 7.521 26.844 699 2HD2 ASN 644 HD21 ASN 644 5.906 8.606 26.812 700 H SER 645 H SER 645 2.128 9.690 26.039 701 HA SER 645 HA SER 645 1.953 12.573 26.667 702 1HB SER 645 HB2 SER 645 3.866 13.158 25.351 703 2HB SER 645 HB3 SER 645 4.391 11.964 26.547 704 HG SER 645 HG SER 645 5.222 11.406 24.539 705 H ARG 646 H ARG 646 1.466 13.887 24.788 706 HA ARG 646 HA ARG 646 -0.478 12.775 23.013 707 1HB ARG 646 HB2 ARG 646 -0.262 15.159 23.843 708 2HB ARG 646 HB3 ARG 646 1.032 15.412 22.691 709 1HG ARG 646 HG2 ARG 646 -1.603 14.293 21.699 710 2HG ARG 646 HG3 ARG 646 -1.572 15.975 22.197 711 1HD ARG 646 HD2 ARG 646 0.435 14.898 20.182 712 2HD ARG 646 HD3 ARG 646 -1.169 15.450 19.723 713 HE ARG 646 HE ARG 646 -0.675 17.680 20.409 714 1HH1 ARG 646 HH11 ARG 646 2.278 15.755 20.509 715 2HH1 ARG 646 HH12 ARG 646 3.259 17.195 20.512 716 1HH2 ARG 646 HH21 ARG 646 0.529 19.316 20.379 717 2HH2 ARG 646 HH22 ARG 646 2.288 19.221 20.461 718 H ASP 647 H ASP 647 2.975 13.272 22.644 719 HA ASP 647 HA ASP 647 3.198 12.694 19.824 720 1HB ASP 647 HB2 ASP 647 4.924 13.859 21.149 721 2HB ASP 647 HB3 ASP 647 5.184 12.406 22.114 722 H GLU 648 H GLU 648 3.476 10.581 22.765 723 HA GLU 648 HA GLU 648 3.907 8.164 21.251 724 1HB GLU 648 HB2 GLU 648 4.535 8.408 23.602 725 2HB GLU 648 HB3 GLU 648 2.839 8.563 24.074 726 1HG GLU 648 HG2 GLU 648 2.377 6.271 23.387 727 2HG GLU 648 HG3 GLU 648 3.961 6.135 22.613 728 H TYR 649 H TYR 649 0.929 9.759 22.441 729 HA TYR 649 HA TYR 649 -0.953 7.788 21.609 730 1HB TYR 649 HB2 TYR 649 -1.833 9.389 22.977 731 2HB TYR 649 HB3 TYR 649 -0.948 10.701 22.242 732 HD1 TYR 649 HD1 TYR 649 -3.835 8.386 21.603 733 HD2 TYR 649 HD2 TYR 649 -1.935 12.152 20.719 734 HE1 TYR 649 HE1 TYR 649 -5.957 9.223 20.587 735 HE2 TYR 649 HE2 TYR 649 -4.016 12.967 19.671 736 HH TYR 649 HH TYR 649 -7.053 11.034 19.710 737 H TYR 650 H TYR 650 0.104 10.723 19.736 738 HA TYR 650 HA TYR 650 -0.973 9.980 17.237 739 1HB TYR 650 HB2 TYR 650 1.521 11.477 18.123 740 2HB TYR 650 HB3 TYR 650 1.408 11.018 16.443 741 HD1 TYR 650 HD1 TYR 650 -1.320 11.424 15.632 742 HD2 TYR 650 HD2 TYR 650 1.247 13.783 18.166 743 HE1 TYR 650 HE1 TYR 650 -2.502 13.482 14.922 744 HE2 TYR 650 HE2 TYR 650 0.077 15.854 17.421 745 HH TYR 650 HH TYR 650 -1.582 16.712 16.138 746 H HIS 651 H HIS 651 2.220 8.913 18.564 747 HA HIS 651 HA HIS 651 2.964 7.401 16.289 748 1HB HIS 651 HB2 HIS 651 4.473 8.015 18.157 749 2HB HIS 651 HB3 HIS 651 3.655 6.851 19.199 750 HD1 HIS 651 HD1 HIS 651 5.714 6.812 15.895 751 HD2 HIS 651 HD2 HIS 651 4.581 4.403 19.156 752 HE1 HIS 651 HE1 HIS 651 7.000 4.627 15.647 753 H LEU 652 H LEU 652 1.011 6.349 19.127 754 HA LEU 652 HA LEU 652 0.556 3.667 18.165 755 1HB LEU 652 HB2 LEU 652 -1.070 5.440 20.035 756 2HB LEU 652 HB3 LEU 652 -1.413 3.751 19.707 757 HG LEU 652 HG LEU 652 1.092 4.801 21.074 758 1HD1 LEU 652 HD11 LEU 652 -1.001 4.885 22.413 759 2HD1 LEU 652 HD12 LEU 652 -1.250 3.153 22.108 760 3HD1 LEU 652 HD13 LEU 652 0.159 3.704 23.044 761 1HD2 LEU 652 HD21 LEU 652 1.689 2.785 19.836 762 2HD2 LEU 652 HD22 LEU 652 1.571 2.417 21.556 763 3HD2 LEU 652 HD23 LEU 652 0.252 1.941 20.464 764 H LEU 653 H LEU 653 -1.469 6.659 17.763 765 HA LEU 653 HA LEU 653 -3.484 5.393 16.174 766 1HB LEU 653 HB2 LEU 653 -2.439 8.254 16.048 767 2HB LEU 653 HB3 LEU 653 -3.862 7.659 15.210 768 HG LEU 653 HG LEU 653 -3.516 8.031 18.195 769 1HD1 LEU 653 HD11 LEU 653 -4.053 10.021 16.863 770 2HD1 LEU 653 HD12 LEU 653 -5.426 9.177 16.110 771 3HD1 LEU 653 HD13 LEU 653 -5.449 9.544 17.840 772 1HD2 LEU 653 HD21 LEU 653 -4.771 5.937 17.887 773 2HD2 LEU 653 HD22 LEU 653 -5.794 7.236 18.494 774 3HD2 LEU 653 HD23 LEU 653 -5.893 6.761 16.781 775 H ALA 654 H ALA 654 -0.428 6.948 15.126 776 HA ALA 654 HA ALA 654 -0.879 6.471 12.352 777 1HB ALA 654 HB1 ALA 654 1.723 7.007 13.852 778 2HB ALA 654 HB2 ALA 654 1.450 7.194 12.104 779 3HB ALA 654 HB3 ALA 654 0.599 8.248 13.245 780 H GLU 655 H GLU 655 0.806 4.486 14.833 781 HA GLU 655 HA GLU 655 1.694 2.390 13.087 782 1HB GLU 655 HB2 GLU 655 2.365 2.613 15.478 783 2HB GLU 655 HB3 GLU 655 0.711 2.234 15.969 784 1HG GLU 655 HG2 GLU 655 0.994 -0.001 14.719 785 2HG GLU 655 HG3 GLU 655 2.701 0.408 14.572 786 H LYS 656 H LYS 656 -1.447 2.912 14.773 787 HA LYS 656 HA LYS 656 -2.683 0.508 13.748 788 1HB LYS 656 HB2 LYS 656 -3.626 2.986 15.183 789 2HB LYS 656 HB3 LYS 656 -4.818 1.994 14.351 790 1HG LYS 656 HG2 LYS 656 -4.610 1.342 16.704 791 2HG LYS 656 HG3 LYS 656 -4.222 0.037 15.587 792 1HD LYS 656 HD2 LYS 656 -1.781 0.444 16.006 793 2HD LYS 656 HD3 LYS 656 -2.265 1.611 17.264 794 1HE LYS 656 HE2 LYS 656 -3.526 -0.245 18.388 795 2HE LYS 656 HE3 LYS 656 -2.914 -1.356 17.152 796 1HZ LYS 656 HZ1 LYS 656 -1.462 -1.521 19.015 797 2HZ LYS 656 HZ2 LYS 656 -0.615 -0.661 17.901 798 3HZ LYS 656 HZ3 LYS 656 -1.305 0.107 19.160 799 H ILE 657 H ILE 657 -2.722 3.870 12.461 800 HA ILE 657 HA ILE 657 -4.255 3.255 10.117 801 HB ILE 657 HB ILE 657 -2.037 5.302 10.530 802 1HG1 ILE 657 HG12 ILE 657 -5.058 5.342 10.678 803 2HG1 ILE 657 HG13 ILE 657 -3.855 6.035 11.776 804 1HG2 ILE 657 HG21 ILE 657 -3.761 4.825 8.077 805 2HG2 ILE 657 HG22 ILE 657 -2.746 6.270 8.323 806 3HG2 ILE 657 HG23 ILE 657 -1.997 4.712 8.178 807 1HD1 ILE 657 HD11 ILE 657 -3.346 7.758 9.997 808 2HD1 ILE 657 HD12 ILE 657 -4.783 7.175 9.131 809 3HD1 ILE 657 HD13 ILE 657 -4.950 7.860 10.748 810 H TYR 658 H TYR 658 -0.676 3.082 10.584 811 HA TYR 658 HA TYR 658 -0.050 2.099 8.018 812 1HB TYR 658 HB2 TYR 658 1.577 2.978 9.642 813 2HB TYR 658 HB3 TYR 658 1.346 1.576 10.669 814 HD1 TYR 658 HD1 TYR 658 2.244 -0.669 9.996 815 HD2 TYR 658 HD2 TYR 658 2.859 2.846 7.551 816 HE1 TYR 658 HE1 TYR 658 4.156 -1.787 8.861 817 HE2 TYR 658 HE2 TYR 658 4.759 1.720 6.449 818 HH TYR 658 HH TYR 658 6.022 -0.120 6.281 819 H LYS 659 H LYS 659 -0.662 0.160 11.005 820 HA LYS 659 HA LYS 659 -0.445 -2.412 9.849 821 1HB LYS 659 HB2 LYS 659 -0.596 -2.205 12.239 822 2HB LYS 659 HB3 LYS 659 -2.181 -1.416 12.149 823 1HG LYS 659 HG2 LYS 659 -3.233 -3.434 11.305 824 2HG LYS 659 HG3 LYS 659 -1.667 -4.244 11.127 825 1HD LYS 659 HD2 LYS 659 -1.404 -4.376 13.530 826 2HD LYS 659 HD3 LYS 659 -2.848 -3.369 13.795 827 1HE LYS 659 HE2 LYS 659 -4.282 -5.044 12.703 828 2HE LYS 659 HE3 LYS 659 -2.880 -6.014 12.268 829 1HZ LYS 659 HZ1 LYS 659 -2.451 -6.399 14.632 830 2HZ LYS 659 HZ2 LYS 659 -3.732 -5.489 15.074 831 3HZ LYS 659 HZ3 LYS 659 -3.959 -6.891 14.264 832 H ILE 660 H ILE 660 -3.466 -0.463 10.180 833 HA ILE 660 HA ILE 660 -5.100 -2.401 8.858 834 HB ILE 660 HB ILE 660 -5.477 0.586 9.217 835 1HG1 ILE 660 HG12 ILE 660 -6.788 -1.741 10.704 836 2HG1 ILE 660 HG13 ILE 660 -5.292 -1.018 11.258 837 1HG2 ILE 660 HG21 ILE 660 -6.921 -0.040 7.371 838 2HG2 ILE 660 HG22 ILE 660 -7.422 -1.541 8.177 839 3HG2 ILE 660 HG23 ILE 660 -7.938 0.025 8.799 840 1HD1 ILE 660 HD11 ILE 660 -6.880 0.079 12.533 841 2HD1 ILE 660 HD12 ILE 660 -6.536 1.248 11.253 842 3HD1 ILE 660 HD13 ILE 660 -8.014 0.241 11.192 843 H GLN 661 H GLN 661 -3.499 0.549 7.489 844 HA GLN 661 HA GLN 661 -4.409 0.114 4.852 845 1HB GLN 661 HB2 GLN 661 -3.254 2.179 5.913 846 2HB GLN 661 HB3 GLN 661 -1.727 1.368 5.559 847 1HG GLN 661 HG2 GLN 661 -2.215 2.892 3.749 848 2HG GLN 661 HG3 GLN 661 -2.451 1.253 3.130 849 1HE2 GLN 661 HE22 GLN 661 -4.245 4.078 4.484 850 2HE2 GLN 661 HE21 GLN 661 -5.789 3.603 3.793 851 H LYS 662 H LYS 662 -1.384 -1.082 6.391 852 HA LYS 662 HA LYS 662 -0.425 -2.386 3.993 853 1HB LYS 662 HB2 LYS 662 0.310 -2.623 6.944 854 2HB LYS 662 HB3 LYS 662 1.195 -3.481 5.708 855 1HG LYS 662 HG2 LYS 662 0.879 -0.473 5.528 856 2HG LYS 662 HG3 LYS 662 2.063 -1.198 6.596 857 1HD LYS 662 HD2 LYS 662 3.145 -0.576 4.539 858 2HD LYS 662 HD3 LYS 662 3.173 -2.333 4.725 859 1HE LYS 662 HE2 LYS 662 1.285 -2.543 3.140 860 2HE LYS 662 HE3 LYS 662 1.193 -0.780 2.997 861 1HZ LYS 662 HZ1 LYS 662 3.466 -0.866 2.046 862 2HZ LYS 662 HZ2 LYS 662 3.441 -2.507 2.106 863 3HZ LYS 662 HZ3 LYS 662 2.369 -1.701 1.158 864 H GLU 663 H GLU 663 -2.178 -3.621 6.817 865 HA GLU 663 HA GLU 663 -2.180 -6.386 6.069 866 1HB GLU 663 HB2 GLU 663 -2.855 -5.468 8.302 867 2HB GLU 663 HB3 GLU 663 -4.315 -4.804 7.566 868 1HG GLU 663 HG2 GLU 663 -4.928 -6.822 8.666 869 2HG GLU 663 HG3 GLU 663 -4.992 -7.148 6.941 870 H LEU 664 H LEU 664 -4.579 -3.790 5.351 871 HA LEU 664 HA LEU 664 -6.290 -5.312 3.645 872 1HB LEU 664 HB2 LEU 664 -5.579 -2.384 3.941 873 2HB LEU 664 HB3 LEU 664 -6.636 -2.899 2.652 874 HG LEU 664 HG LEU 664 -8.387 -3.465 4.004 875 1HD1 LEU 664 HD11 LEU 664 -7.338 -4.927 5.688 876 2HD1 LEU 664 HD12 LEU 664 -6.719 -3.514 6.549 877 3HD1 LEU 664 HD13 LEU 664 -8.458 -3.764 6.397 878 1HD2 LEU 664 HD21 LEU 664 -8.594 -1.524 5.632 879 2HD2 LEU 664 HD22 LEU 664 -6.919 -1.128 5.260 880 3HD2 LEU 664 HD23 LEU 664 -8.131 -1.106 3.964 881 H GLU 665 H GLU 665 -3.514 -3.156 2.731 882 HA GLU 665 HA GLU 665 -3.599 -3.657 -0.028 883 1HB GLU 665 HB2 GLU 665 -2.330 -1.891 1.139 884 2HB GLU 665 HB3 GLU 665 -1.160 -3.090 1.706 885 1HG GLU 665 HG2 GLU 665 -0.446 -3.532 -0.585 886 2HG GLU 665 HG3 GLU 665 -1.755 -2.530 -1.231 887 H GLU 666 H GLU 666 -1.774 -5.571 2.446 888 HA GLU 666 HA GLU 666 -0.669 -7.424 0.541 889 1HB GLU 666 HB2 GLU 666 -1.132 -7.516 3.543 890 2HB GLU 666 HB3 GLU 666 -0.351 -8.821 2.663 891 1HG GLU 666 HG2 GLU 666 0.687 -5.956 2.585 892 2HG GLU 666 HG3 GLU 666 1.188 -7.136 3.789 893 H LYS 667 H LYS 667 -3.600 -7.644 2.600 894 HA LYS 667 HA LYS 667 -4.355 -10.274 1.609 895 1HB LYS 667 HB2 LYS 667 -5.960 -8.089 2.996 896 2HB LYS 667 HB3 LYS 667 -6.628 -9.656 2.553 897 1HG LYS 667 HG2 LYS 667 -4.307 -9.225 4.476 898 2HG LYS 667 HG3 LYS 667 -5.974 -9.623 4.897 899 1HD LYS 667 HD2 LYS 667 -5.694 -11.746 3.499 900 2HD LYS 667 HD3 LYS 667 -3.966 -11.394 3.437 901 1HE LYS 667 HE2 LYS 667 -5.560 -11.699 6.018 902 2HE LYS 667 HE3 LYS 667 -4.677 -13.013 5.235 903 1HZ LYS 667 HZ1 LYS 667 -2.629 -11.690 5.500 904 2HZ LYS 667 HZ2 LYS 667 -3.448 -10.512 6.296 905 3HZ LYS 667 HZ3 LYS 667 -3.320 -12.001 6.944 906 H ARG 668 H ARG 668 -5.000 -7.051 0.356 907 HA ARG 668 HA ARG 668 -6.790 -7.963 -1.775 908 1HB ARG 668 HB2 ARG 668 -5.196 -5.424 -1.269 909 2HB ARG 668 HB3 ARG 668 -6.148 -5.654 -2.737 910 1HG ARG 668 HG2 ARG 668 -8.206 -5.701 -1.594 911 2HG ARG 668 HG3 ARG 668 -7.466 -6.084 -0.041 912 1HD ARG 668 HD2 ARG 668 -8.282 -3.789 -0.071 913 2HD ARG 668 HD3 ARG 668 -6.542 -3.867 0.174 914 HE ARG 668 HE ARG 668 -7.069 -3.526 -2.620 915 1HH1 ARG 668 HH11 ARG 668 -7.307 -1.640 0.288 916 2HH1 ARG 668 HH12 ARG 668 -6.598 -0.217 -0.432 917 1HH2 ARG 668 HH21 ARG 668 -6.349 -1.623 -3.566 918 2HH2 ARG 668 HH22 ARG 668 -6.218 -0.185 -2.603 919 H ARG 669 H ARG 669 -3.281 -7.462 -1.586 920 HA ARG 669 HA ARG 669 -2.773 -8.081 -4.381 921 1HB ARG 669 HB2 ARG 669 -1.327 -6.699 -2.867 922 2HB ARG 669 HB3 ARG 669 -0.860 -8.173 -2.005 923 1HG ARG 669 HG2 ARG 669 0.162 -9.066 -4.078 924 2HG ARG 669 HG3 ARG 669 -0.418 -7.652 -4.982 925 1HD ARG 669 HD2 ARG 669 0.954 -6.193 -3.425 926 2HD ARG 669 HD3 ARG 669 1.583 -7.660 -2.684 927 HE ARG 669 HE ARG 669 2.931 -8.063 -4.539 928 1HH1 ARG 669 HH21 ARG 669 0.785 -5.417 -5.387 929 2HH1 ARG 669 HH22 ARG 669 1.717 -5.001 -6.799 930 1HH2 ARG 669 HH12 ARG 669 4.071 -7.463 -6.345 931 2HH2 ARG 669 HH11 ARG 669 3.522 -6.132 -7.321 932 H SER 670 H SER 670 -2.879 -10.050 -1.479 933 HA SER 670 HA SER 670 -2.300 -12.536 -3.048 934 1HB SER 670 HB2 SER 670 -1.699 -11.892 -0.139 935 2HB SER 670 HB3 SER 670 -1.330 -13.415 -0.972 936 HG SER 670 HG SER 670 0.468 -11.967 -0.910 937 H ARG 671 H ARG 671 -4.862 -11.570 -3.002 938 HA ARG 671 HA ARG 671 -6.587 -12.358 -0.943 939 1HB ARG 671 HB2 ARG 671 -8.378 -11.915 -2.513 940 2HB ARG 671 HB3 ARG 671 -7.100 -10.718 -2.676 941 1HG ARG 671 HG2 ARG 671 -6.234 -12.043 -4.696 942 2HG ARG 671 HG3 ARG 671 -7.659 -13.072 -4.537 943 1HD ARG 671 HD2 ARG 671 -8.131 -11.462 -6.219 944 2HD ARG 671 HD3 ARG 671 -9.104 -11.029 -4.801 945 HE ARG 671 HE ARG 671 -6.683 -9.578 -4.593 946 1HH1 ARG 671 HH11 ARG 671 -9.361 -9.586 -6.860 947 2HH1 ARG 671 HH12 ARG 671 -9.061 -7.936 -7.332 948 1HH2 ARG 671 HH22 ARG 671 -6.356 -7.583 -5.208 949 2HH2 ARG 671 HH21 ARG 671 -7.364 -6.803 -6.414 950 H LEU 672 H LEU 672 -5.198 -14.502 -3.230 951 HA LEU 672 HA LEU 672 -6.772 -16.796 -2.205 952 1HB LEU 672 HB2 LEU 672 -6.393 -16.086 -5.148 953 2HB LEU 672 HB3 LEU 672 -6.871 -17.680 -4.595 954 HG LEU 672 HG LEU 672 -8.515 -15.157 -4.128 955 1HD1 LEU 672 HD11 LEU 672 -9.977 -16.054 -5.879 956 2HD1 LEU 672 HD12 LEU 672 -8.353 -15.751 -6.511 957 3HD1 LEU 672 HD13 LEU 672 -8.860 -17.413 -6.140 958 1HD2 LEU 672 HD21 LEU 672 -10.323 -16.758 -3.579 959 2HD2 LEU 672 HD22 LEU 672 -9.174 -18.108 -3.720 960 3HD2 LEU 672 HD23 LEU 672 -8.981 -16.889 -2.441 961 1H SER 839 H1 SER 839 -7.091 -2.655 25.649 962 2H SER 839 H2 SER 839 -6.942 -1.729 24.295 963 3H SER 839 H3 SER 839 -8.132 -2.852 24.395 964 HA SER 839 HA SER 839 -5.246 -3.406 24.337 965 1HB SER 839 HB2 SER 839 -7.564 -5.380 24.303 966 2HB SER 839 HB3 SER 839 -5.831 -5.769 24.261 967 HG SER 839 HG SER 839 -6.692 -5.913 26.382 968 H ASP 840 H ASP 840 -4.504 -4.499 22.405 969 HA ASP 840 HA ASP 840 -6.013 -3.687 19.966 970 1HB ASP 840 HB2 ASP 840 -3.971 -2.898 19.057 971 2HB ASP 840 HB3 ASP 840 -4.180 -2.177 20.641 972 H ALA 841 H ALA 841 -5.568 -6.455 21.348 973 HA ALA 841 HA ALA 841 -4.107 -8.094 19.529 974 1HB ALA 841 HB1 ALA 841 -5.186 -9.934 20.777 975 2HB ALA 841 HB2 ALA 841 -4.580 -8.679 21.870 976 3HB ALA 841 HB3 ALA 841 -6.322 -8.783 21.511 977 H GLY 842 H GLY 842 -7.141 -6.626 18.954 978 1HA GLY 842 HA2 GLY 842 -7.449 -7.906 16.405 979 2HA GLY 842 HA3 GLY 842 -8.610 -8.598 17.538 980 H ASN 843 H ASN 843 -9.057 -6.007 18.936 981 HA ASN 843 HA ASN 843 -11.217 -4.975 17.477 982 1HB ASN 843 HB2 ASN 843 -10.877 -4.776 19.932 983 2HB ASN 843 HB3 ASN 843 -9.566 -3.619 19.661 984 1HD2 ASN 843 HD22 ASN 843 -13.051 -4.109 18.794 985 2HD2 ASN 843 HD21 ASN 843 -13.427 -2.397 18.895 986 H ILE 844 H ILE 844 -7.904 -4.238 16.935 987 HA ILE 844 HA ILE 844 -8.097 -1.650 15.728 988 HB ILE 844 HB ILE 844 -6.140 -3.915 15.184 989 1HG1 ILE 844 HG12 ILE 844 -5.994 -3.507 17.509 990 2HG1 ILE 844 HG13 ILE 844 -4.643 -2.672 16.777 991 1HG2 ILE 844 HG21 ILE 844 -4.561 -2.002 14.595 992 2HG2 ILE 844 HG22 ILE 844 -5.850 -2.318 13.437 993 3HG2 ILE 844 HG23 ILE 844 -5.991 -0.950 14.554 994 1HD1 ILE 844 HD11 ILE 844 -5.510 -1.198 18.450 995 2HD1 ILE 844 HD12 ILE 844 -6.091 -0.525 16.919 996 3HD1 ILE 844 HD13 ILE 844 -7.177 -1.477 17.953 997 H LEU 845 H LEU 845 -9.015 -4.809 14.484 998 HA LEU 845 HA LEU 845 -10.227 -3.596 12.118 999 1HB LEU 845 HB2 LEU 845 -7.863 -3.764 11.417 1000 2HB LEU 845 HB3 LEU 845 -7.856 -5.482 11.787 1001 HG LEU 845 HG LEU 845 -9.423 -5.920 9.976 1002 1HD1 LEU 845 HD11 LEU 845 -9.380 -2.923 9.433 1003 2HD1 LEU 845 HD12 LEU 845 -10.105 -4.137 8.365 1004 3HD1 LEU 845 HD13 LEU 845 -10.802 -3.852 9.967 1005 1HD2 LEU 845 HD21 LEU 845 -6.992 -5.785 9.545 1006 2HD2 LEU 845 HD22 LEU 845 -7.952 -5.359 8.130 1007 3HD2 LEU 845 HD23 LEU 845 -7.176 -4.076 9.084 1008 HA PRO 846 HA PRO 846 -12.623 -7.125 14.062 1009 1HB PRO 846 HB2 PRO 846 -14.591 -5.228 12.748 1010 2HB PRO 846 HB3 PRO 846 -14.811 -6.165 14.226 1011 1HG PRO 846 HG2 PRO 846 -14.210 -3.586 14.455 1012 2HG PRO 846 HG3 PRO 846 -13.266 -4.757 15.440 1013 1HD PRO 846 HD2 PRO 846 -12.533 -3.553 12.758 1014 2HD PRO 846 HD3 PRO 846 -11.548 -3.614 14.244 1015 H SER 847 H SER 847 -13.013 -8.991 12.870 1016 HA SER 847 HA SER 847 -12.221 -9.145 10.187 1017 1HB SER 847 HB2 SER 847 -13.076 -11.483 10.287 1018 2HB SER 847 HB3 SER 847 -12.034 -11.026 11.645 1019 HG SER 847 HG SER 847 -13.931 -12.153 12.325 1020 H ASP 848 H ASP 848 -15.586 -9.092 11.409 1021 HA ASP 848 HA ASP 848 -16.860 -9.510 8.878 1022 1HB ASP 848 HB2 ASP 848 -17.925 -9.794 11.097 1023 2HB ASP 848 HB3 ASP 848 -17.852 -8.051 11.359 1024 H ILE 849 H ILE 849 -15.681 -6.572 10.438 1025 HA ILE 849 HA ILE 849 -16.780 -4.684 8.460 1026 HB ILE 849 HB ILE 849 -14.815 -4.367 10.735 1027 1HG1 ILE 849 HG12 ILE 849 -17.744 -3.543 10.367 1028 2HG1 ILE 849 HG13 ILE 849 -17.202 -4.921 11.320 1029 1HG2 ILE 849 HG21 ILE 849 -14.229 -2.721 9.103 1030 2HG2 ILE 849 HG22 ILE 849 -15.942 -2.340 8.773 1031 3HG2 ILE 849 HG23 ILE 849 -15.190 -1.902 10.317 1032 1HD1 ILE 849 HD11 ILE 849 -17.676 -3.248 12.880 1033 2HD1 ILE 849 HD12 ILE 849 -15.919 -3.317 12.793 1034 3HD1 ILE 849 HD13 ILE 849 -16.811 -2.009 11.970 1035 H MET 850 H MET 850 -13.611 -6.214 9.160 1036 HA MET 850 HA MET 850 -12.040 -5.060 7.147 1037 1HB MET 850 HB2 MET 850 -11.248 -6.570 8.956 1038 2HB MET 850 HB3 MET 850 -11.981 -7.941 8.135 1039 1HG MET 850 HG2 MET 850 -10.503 -7.643 6.200 1040 2HG MET 850 HG3 MET 850 -9.789 -6.208 6.928 1041 1HE MET 850 HE1 MET 850 -7.383 -7.156 6.610 1042 2HE MET 850 HE2 MET 850 -6.829 -8.740 7.194 1043 3HE MET 850 HE3 MET 850 -8.000 -8.646 5.864 1044 H ASP 851 H ASP 851 -14.133 -8.003 6.857 1045 HA ASP 851 HA ASP 851 -13.580 -8.608 4.178 1046 1HB ASP 851 HB2 ASP 851 -14.892 -9.990 5.778 1047 2HB ASP 851 HB3 ASP 851 -16.242 -8.866 5.629 1048 H PHE 852 H PHE 852 -15.977 -6.226 5.395 1049 HA PHE 852 HA PHE 852 -16.981 -5.464 2.800 1050 1HB PHE 852 HB2 PHE 852 -18.157 -5.120 4.961 1051 2HB PHE 852 HB3 PHE 852 -16.948 -3.943 5.435 1052 HD1 PHE 852 HD1 PHE 852 -17.380 -1.661 5.029 1053 HD2 PHE 852 HD2 PHE 852 -19.435 -4.650 2.692 1054 HE1 PHE 852 HE1 PHE 852 -18.809 0.102 4.027 1055 HE2 PHE 852 HE2 PHE 852 -20.853 -2.877 1.678 1056 HZ PHE 852 HZ PHE 852 -20.540 -0.498 2.344 1057 H VAL 853 H VAL 853 -14.321 -4.153 4.852 1058 HA VAL 853 HA VAL 853 -13.630 -2.018 3.028 1059 HB VAL 853 HB VAL 853 -11.883 -3.381 5.140 1060 1HG1 VAL 853 HG11 VAL 853 -11.572 -0.718 3.666 1061 2HG1 VAL 853 HG12 VAL 853 -10.632 -1.229 5.074 1062 3HG1 VAL 853 HG13 VAL 853 -10.481 -2.118 3.552 1063 1HG2 VAL 853 HG21 VAL 853 -13.897 -2.316 6.116 1064 2HG2 VAL 853 HG22 VAL 853 -12.449 -1.380 6.486 1065 3HG2 VAL 853 HG23 VAL 853 -13.564 -0.834 5.211 1066 H LEU 854 H LEU 854 -12.400 -5.398 3.292 1067 HA LEU 854 HA LEU 854 -10.522 -5.167 1.127 1068 1HB LEU 854 HB2 LEU 854 -12.005 -7.699 1.930 1069 2HB LEU 854 HB3 LEU 854 -10.530 -7.558 0.991 1070 HG LEU 854 HG LEU 854 -10.916 -7.384 3.954 1071 1HD1 LEU 854 HD11 LEU 854 -10.375 -9.508 2.873 1072 2HD1 LEU 854 HD12 LEU 854 -8.900 -8.790 2.188 1073 3HD1 LEU 854 HD13 LEU 854 -9.076 -8.972 3.946 1074 1HD2 LEU 854 HD21 LEU 854 -9.605 -5.357 3.490 1075 2HD2 LEU 854 HD22 LEU 854 -8.656 -6.592 4.310 1076 3HD2 LEU 854 HD23 LEU 854 -8.436 -6.325 2.554 1077 H LYS 855 H LYS 855 -14.014 -5.886 1.154 1078 HA LYS 855 HA LYS 855 -14.197 -6.592 -1.646 1079 1HB LYS 855 HB2 LYS 855 -15.853 -7.229 0.084 1080 2HB LYS 855 HB3 LYS 855 -16.328 -5.533 0.269 1081 1HG LYS 855 HG2 LYS 855 -17.111 -5.481 -2.076 1082 2HG LYS 855 HG3 LYS 855 -16.547 -7.149 -2.312 1083 1HD LYS 855 HD2 LYS 855 -18.142 -7.921 -0.564 1084 2HD LYS 855 HD3 LYS 855 -18.714 -6.248 -0.358 1085 1HE LYS 855 HE2 LYS 855 -19.414 -6.187 -2.735 1086 2HE LYS 855 HE3 LYS 855 -18.807 -7.831 -2.967 1087 1HZ LYS 855 HZ1 LYS 855 -21.025 -7.082 -1.135 1088 2HZ LYS 855 HZ2 LYS 855 -21.200 -7.829 -2.575 1089 3HZ LYS 855 HZ3 LYS 855 -20.458 -8.601 -1.346 1090 H ASN 856 H ASN 856 -14.680 -3.501 0.081 1091 HA ASN 856 HA ASN 856 -15.539 -2.083 -2.321 1092 1HB ASN 856 HB2 ASN 856 -14.943 -1.284 0.539 1093 2HB ASN 856 HB3 ASN 856 -15.251 -0.106 -0.733 1094 1HD2 ASN 856 HD22 ASN 856 -16.742 -2.618 1.214 1095 2HD2 ASN 856 HD21 ASN 856 -18.386 -2.156 0.791 1096 H THR 857 H THR 857 -12.463 -1.979 -0.416 1097 HA THR 857 HA THR 857 -11.522 0.303 -1.803 1098 HB THR 857 HB THR 857 -9.313 -0.155 -0.796 1099 HG1 THR 857 HG1 THR 857 -10.643 -2.273 0.526 1100 1HG2 THR 857 HG21 THR 857 -10.967 1.172 0.378 1101 2HG2 THR 857 HG22 THR 857 -11.718 -0.283 1.065 1102 3HG2 THR 857 HG23 THR 857 -10.061 0.169 1.526 1103 HA PRO 858 HA PRO 858 -8.790 -2.135 -4.769 1104 1HB PRO 858 HB2 PRO 858 -9.324 -4.682 -5.548 1105 2HB PRO 858 HB3 PRO 858 -8.445 -4.315 -4.035 1106 1HG PRO 858 HG2 PRO 858 -11.406 -4.896 -4.368 1107 2HG PRO 858 HG3 PRO 858 -10.250 -5.653 -3.226 1108 1HD PRO 858 HD2 PRO 858 -11.870 -3.593 -2.518 1109 2HD PRO 858 HD3 PRO 858 -10.216 -3.735 -1.854 1110 H SER 859 H SER 859 -12.205 -1.959 -4.899 1111 HA SER 859 HA SER 859 -12.679 -2.696 -7.623 1112 1HB SER 859 HB2 SER 859 -14.384 -1.108 -5.674 1113 2HB SER 859 HB3 SER 859 -14.942 -1.803 -7.211 1114 HG SER 859 HG SER 859 -15.336 -3.172 -5.369 1115 H MET 860 H MET 860 -10.606 -0.907 -7.847 1116 HA MET 860 HA MET 860 -11.197 1.804 -8.328 1117 1HB MET 860 HB2 MET 860 -8.962 0.643 -8.064 1118 2HB MET 860 HB3 MET 860 -9.093 0.124 -9.748 1119 1HG MET 860 HG2 MET 860 -9.189 2.498 -10.457 1120 2HG MET 860 HG3 MET 860 -9.099 3.015 -8.773 1121 1HE MET 860 HE1 MET 860 -5.412 2.255 -7.780 1122 2HE MET 860 HE2 MET 860 -6.963 2.979 -7.303 1123 3HE MET 860 HE3 MET 860 -6.807 1.211 -7.448 1124 H GLN 861 H GLN 861 -12.030 -0.904 -10.347 1125 HA GLN 861 HA GLN 861 -12.337 0.392 -12.880 1126 1HB GLN 861 HB2 GLN 861 -12.319 -2.129 -12.176 1127 2HB GLN 861 HB3 GLN 861 -14.056 -1.901 -11.918 1128 1HG GLN 861 HG2 GLN 861 -14.201 -1.058 -14.301 1129 2HG GLN 861 HG3 GLN 861 -12.492 -1.418 -14.505 1130 1HE2 GLN 861 HE22 GLN 861 -14.628 -2.574 -16.097 1131 2HE2 GLN 861 HE21 GLN 861 -14.602 -4.303 -15.772 1132 H ALA 862 H ALA 862 -14.261 0.695 -9.979 1133 HA ALA 862 HA ALA 862 -16.777 1.450 -11.155 1134 1HB ALA 862 HB1 ALA 862 -16.484 0.659 -8.827 1135 2HB ALA 862 HB2 ALA 862 -15.547 2.122 -8.446 1136 3HB ALA 862 HB3 ALA 862 -17.266 2.246 -8.875 1137 H LEU 863 H LEU 863 -17.732 3.671 -10.656 1138 HA LEU 863 HA LEU 863 -16.445 5.744 -12.159 1139 1HB LEU 863 HB2 LEU 863 -18.740 5.883 -10.158 1140 2HB LEU 863 HB3 LEU 863 -18.309 7.159 -11.291 1141 HG LEU 863 HG LEU 863 -19.302 4.381 -12.077 1142 1HD1 LEU 863 HD11 LEU 863 -21.354 5.546 -12.737 1143 2HD1 LEU 863 HD12 LEU 863 -21.033 5.773 -11.011 1144 3HD1 LEU 863 HD13 LEU 863 -20.689 7.090 -12.155 1145 1HD2 LEU 863 HD21 LEU 863 -19.550 5.369 -14.342 1146 2HD2 LEU 863 HD22 LEU 863 -18.742 6.850 -13.782 1147 3HD2 LEU 863 HD23 LEU 863 -17.860 5.305 -13.841 1148 H GLY 864 H GLY 864 -15.752 7.834 -11.462 1149 1HA GLY 864 HA2 GLY 864 -15.259 8.873 -9.001 1150 2HA GLY 864 HA3 GLY 864 -13.948 7.698 -9.140 1151 H GLU 865 H GLU 865 -14.385 8.781 -12.268 1152 HA GLU 865 HA GLU 865 -12.007 10.334 -12.380 1153 1HB GLU 865 HB2 GLU 865 -14.372 10.188 -14.297 1154 2HB GLU 865 HB3 GLU 865 -12.826 10.963 -14.657 1155 1HG GLU 865 HG2 GLU 865 -11.651 8.801 -14.306 1156 2HG GLU 865 HG3 GLU 865 -13.200 8.008 -14.010 1157 H SER 866 H SER 866 -11.650 12.546 -12.837 1158 HA SER 866 HA SER 866 -13.755 14.524 -12.232 1159 1HB SER 866 HB2 SER 866 -12.370 15.570 -10.465 1160 2HB SER 866 HB3 SER 866 -12.868 13.931 -10.040 1161 HG SER 866 HG SER 866 -10.651 14.299 -9.585 1162 HA PRO 867 HA PRO 867 -11.730 17.162 -15.135 1163 1HB PRO 867 HB2 PRO 867 -11.597 19.298 -13.002 1164 2HB PRO 867 HB3 PRO 867 -12.160 19.432 -14.698 1165 1HG PRO 867 HG2 PRO 867 -13.959 19.239 -12.689 1166 2HG PRO 867 HG3 PRO 867 -14.193 18.276 -14.187 1167 1HD PRO 867 HD2 PRO 867 -13.051 17.382 -11.534 1168 2HD PRO 867 HD3 PRO 867 -14.246 16.564 -12.585 1169 H GLU 868 H GLU 868 -9.779 18.113 -15.802 1170 HA GLU 868 HA GLU 868 -7.415 17.942 -13.972 1171 1HB GLU 868 HB2 GLU 868 -7.855 15.948 -15.537 1172 2HB GLU 868 HB3 GLU 868 -7.426 17.024 -16.867 1173 1HG GLU 868 HG2 GLU 868 -5.158 17.298 -15.917 1174 2HG GLU 868 HG3 GLU 868 -5.632 16.400 -14.474 1175 H SER 869 H SER 869 -9.208 20.048 -15.708 1176 HA SER 869 HA SER 869 -7.470 21.612 -17.294 1177 1HB SER 869 HB2 SER 869 -9.885 22.500 -15.669 1178 2HB SER 869 HB3 SER 869 -9.148 23.376 -17.024 1179 HG SER 869 HG SER 869 -10.940 22.092 -17.726 Start of MODEL 9 1 1H LYS 291 H1 LYS 291 10.230 3.270 -1.902 2 2H LYS 291 H2 LYS 291 8.998 2.682 -2.788 3 3H LYS 291 H3 LYS 291 9.124 4.289 -2.555 4 HA LYS 291 HA LYS 291 7.359 3.339 -1.225 5 1HB LYS 291 HB2 LYS 291 7.710 1.796 0.527 6 2HB LYS 291 HB3 LYS 291 8.341 1.108 -0.959 7 1HG LYS 291 HG2 LYS 291 10.679 1.687 -0.185 8 2HG LYS 291 HG3 LYS 291 9.985 2.320 1.315 9 1HD LYS 291 HD2 LYS 291 10.825 0.145 1.759 10 2HD LYS 291 HD3 LYS 291 9.060 0.083 1.848 11 1HE LYS 291 HE2 LYS 291 8.974 -0.922 -0.420 12 2HE LYS 291 HE3 LYS 291 10.732 -0.775 -0.565 13 1HZ LYS 291 HZ1 LYS 291 9.327 -2.447 1.453 14 2HZ LYS 291 HZ2 LYS 291 10.082 -3.012 0.121 15 3HZ LYS 291 HZ3 LYS 291 10.949 -2.313 1.312 16 H GLU 292 H GLU 292 10.578 4.372 0.076 17 HA GLU 292 HA GLU 292 9.816 5.257 2.514 18 1HB GLU 292 HB2 GLU 292 11.835 6.521 0.636 19 2HB GLU 292 HB3 GLU 292 11.697 6.910 2.357 20 1HG GLU 292 HG2 GLU 292 12.100 4.536 2.946 21 2HG GLU 292 HG3 GLU 292 12.280 4.134 1.238 22 H LYS 293 H LYS 293 9.319 7.297 -0.415 23 HA LYS 293 HA LYS 293 8.473 9.635 0.993 24 1HB LYS 293 HB2 LYS 293 9.028 9.638 -1.410 25 2HB LYS 293 HB3 LYS 293 7.587 8.672 -1.764 26 1HG LYS 293 HG2 LYS 293 6.140 10.495 -0.881 27 2HG LYS 293 HG3 LYS 293 7.581 11.444 -0.471 28 1HD LYS 293 HD2 LYS 293 8.201 11.540 -2.858 29 2HD LYS 293 HD3 LYS 293 6.783 10.580 -3.294 30 1HE LYS 293 HE2 LYS 293 6.665 13.281 -1.862 31 2HE LYS 293 HE3 LYS 293 6.589 13.092 -3.614 32 1HZ LYS 293 HZ1 LYS 293 4.373 13.228 -2.771 33 2HZ LYS 293 HZ2 LYS 293 4.578 11.692 -3.272 34 3HZ LYS 293 HZ3 LYS 293 4.573 12.059 -1.671 35 H ARG 294 H ARG 294 6.280 7.120 -0.442 36 HA ARG 294 HA ARG 294 3.998 8.315 0.817 37 1HB ARG 294 HB2 ARG 294 2.651 6.656 -0.056 38 2HB ARG 294 HB3 ARG 294 3.924 6.913 -1.229 39 1HG ARG 294 HG2 ARG 294 3.809 4.618 -1.220 40 2HG ARG 294 HG3 ARG 294 5.113 4.931 -0.081 41 1HD ARG 294 HD2 ARG 294 3.660 3.124 0.707 42 2HD ARG 294 HD3 ARG 294 3.560 4.448 1.833 43 HE ARG 294 HE ARG 294 1.380 5.025 1.041 44 1HH1 ARG 294 HH11 ARG 294 2.512 2.064 -0.499 45 2HH1 ARG 294 HH12 ARG 294 0.857 1.488 -0.673 46 1HH2 ARG 294 HH21 ARG 294 -0.663 4.292 0.435 47 2HH2 ARG 294 HH22 ARG 294 -0.791 2.757 -0.411 48 H ILE 295 H ILE 295 6.228 5.892 1.944 49 HA ILE 295 HA ILE 295 4.697 4.913 4.178 50 HB ILE 295 HB ILE 295 7.656 5.004 3.516 51 1HG1 ILE 295 HG12 ILE 295 6.185 3.576 2.096 52 2HG1 ILE 295 HG13 ILE 295 7.452 2.702 2.934 53 1HG2 ILE 295 HG21 ILE 295 7.986 3.272 5.313 54 2HG2 ILE 295 HG22 ILE 295 7.705 4.916 5.888 55 3HG2 ILE 295 HG23 ILE 295 6.395 3.728 5.958 56 1HD1 ILE 295 HD11 ILE 295 4.555 2.777 3.900 57 2HD1 ILE 295 HD12 ILE 295 5.220 1.557 2.793 58 3HD1 ILE 295 HD13 ILE 295 5.877 1.697 4.426 59 H LYS 296 H LYS 296 7.155 7.542 3.981 60 HA LYS 296 HA LYS 296 6.616 8.468 6.688 61 1HB LYS 296 HB2 LYS 296 8.745 8.905 5.443 62 2HB LYS 296 HB3 LYS 296 7.863 9.881 4.279 63 1HG LYS 296 HG2 LYS 296 9.055 11.280 5.892 64 2HG LYS 296 HG3 LYS 296 7.322 11.548 5.978 65 1HD LYS 296 HD2 LYS 296 8.310 11.544 8.204 66 2HD LYS 296 HD3 LYS 296 7.189 10.193 8.049 67 1HE LYS 296 HE2 LYS 296 9.107 8.656 7.623 68 2HE LYS 296 HE3 LYS 296 10.226 10.021 7.763 69 1HZ LYS 296 HZ1 LYS 296 8.438 9.024 9.926 70 2HZ LYS 296 HZ2 LYS 296 10.055 8.788 9.851 71 3HZ LYS 296 HZ3 LYS 296 9.465 10.296 10.073 72 H GLU 297 H GLU 297 5.328 9.384 3.486 73 HA GLU 297 HA GLU 297 3.830 11.632 4.231 74 1HB GLU 297 HB2 GLU 297 4.356 10.744 1.942 75 2HB GLU 297 HB3 GLU 297 3.067 9.551 2.166 76 1HG GLU 297 HG2 GLU 297 1.425 11.389 2.305 77 2HG GLU 297 HG3 GLU 297 2.754 12.553 2.140 78 H LEU 298 H LEU 298 2.681 8.192 4.246 79 HA LEU 298 HA LEU 298 0.059 8.737 5.226 80 1HB LEU 298 HB2 LEU 298 0.824 6.567 4.232 81 2HB LEU 298 HB3 LEU 298 1.827 6.281 5.651 82 HG LEU 298 HG LEU 298 -0.384 6.442 7.036 83 1HD1 LEU 298 HD11 LEU 298 -1.816 7.437 5.275 84 2HD1 LEU 298 HD12 LEU 298 -1.579 5.990 4.268 85 3HD1 LEU 298 HD13 LEU 298 -2.440 5.878 5.821 86 1HD2 LEU 298 HD21 LEU 298 0.770 4.377 6.717 87 2HD2 LEU 298 HD22 LEU 298 -0.971 4.109 6.546 88 3HD2 LEU 298 HD23 LEU 298 0.061 4.162 5.093 89 H GLU 299 H GLU 299 3.106 8.096 6.975 90 HA GLU 299 HA GLU 299 2.008 8.147 9.615 91 1HB GLU 299 HB2 GLU 299 4.207 7.167 8.951 92 2HB GLU 299 HB3 GLU 299 4.824 8.780 8.613 93 1HG GLU 299 HG2 GLU 299 4.628 9.440 10.930 94 2HG GLU 299 HG3 GLU 299 3.809 7.925 11.347 95 H LEU 300 H LEU 300 3.548 10.675 7.624 96 HA LEU 300 HA LEU 300 3.445 12.836 9.456 97 1HB LEU 300 HB2 LEU 300 4.964 12.649 7.540 98 2HB LEU 300 HB3 LEU 300 3.603 12.672 6.421 99 HG LEU 300 HG LEU 300 3.122 15.027 7.027 100 1HD1 LEU 300 HD11 LEU 300 5.678 14.811 8.688 101 2HD1 LEU 300 HD12 LEU 300 4.828 16.321 8.283 102 3HD1 LEU 300 HD13 LEU 300 4.044 15.124 9.309 103 1HD2 LEU 300 HD21 LEU 300 6.009 14.502 6.208 104 2HD2 LEU 300 HD22 LEU 300 4.598 14.455 5.128 105 3HD2 LEU 300 HD23 LEU 300 5.073 15.981 5.891 106 H LEU 301 H LEU 301 0.999 11.752 7.059 107 HA LEU 301 HA LEU 301 -0.593 14.036 6.919 108 1HB LEU 301 HB2 LEU 301 -1.089 11.080 6.674 109 2HB LEU 301 HB3 LEU 301 -2.506 12.103 6.794 110 HG LEU 301 HG LEU 301 -0.334 12.611 4.723 111 1HD1 LEU 301 HD11 LEU 301 -2.933 11.029 4.462 112 2HD1 LEU 301 HD12 LEU 301 -1.860 11.494 3.120 113 3HD1 LEU 301 HD13 LEU 301 -1.285 10.372 4.361 114 1HD2 LEU 301 HD21 LEU 301 -3.251 13.495 4.924 115 2HD2 LEU 301 HD22 LEU 301 -1.834 14.536 5.176 116 3HD2 LEU 301 HD23 LEU 301 -2.145 13.848 3.580 117 H LEU 302 H LEU 302 -0.682 11.624 9.539 118 HA LEU 302 HA LEU 302 -2.822 13.028 10.994 119 1HB LEU 302 HB2 LEU 302 -0.939 10.755 11.690 120 2HB LEU 302 HB3 LEU 302 -2.167 11.354 12.808 121 HG LEU 302 HG LEU 302 -2.761 10.145 10.091 122 1HD1 LEU 302 HD11 LEU 302 -2.857 9.006 12.920 123 2HD1 LEU 302 HD12 LEU 302 -3.414 8.198 11.428 124 3HD1 LEU 302 HD13 LEU 302 -1.704 8.583 11.622 125 1HD2 LEU 302 HD21 LEU 302 -4.606 11.616 11.003 126 2HD2 LEU 302 HD22 LEU 302 -5.039 9.897 10.915 127 3HD2 LEU 302 HD23 LEU 302 -4.608 10.611 12.475 128 H MET 303 H MET 303 0.654 13.397 10.783 129 HA MET 303 HA MET 303 0.928 14.583 13.449 130 1HB MET 303 HB2 MET 303 2.794 13.357 12.314 131 2HB MET 303 HB3 MET 303 2.892 14.657 11.130 132 1HG MET 303 HG2 MET 303 3.346 16.286 12.935 133 2HG MET 303 HG3 MET 303 3.219 15.004 14.136 134 1HE MET 303 HE1 MET 303 4.835 13.141 14.487 135 2HE MET 303 HE2 MET 303 4.908 12.571 12.800 136 3HE MET 303 HE3 MET 303 6.409 12.926 13.679 137 H SER 304 H SER 304 0.701 15.676 10.044 138 HA SER 304 HA SER 304 0.953 18.448 10.286 139 1HB SER 304 HB2 SER 304 -0.996 16.854 8.578 140 2HB SER 304 HB3 SER 304 -0.646 18.584 8.379 141 HG SER 304 HG SER 304 0.650 17.305 6.994 142 H THR 305 H THR 305 -1.872 16.432 11.159 143 HA THR 305 HA THR 305 -3.813 18.323 11.702 144 HB THR 305 HB THR 305 -3.087 15.915 13.458 145 HG1 THR 305 HG1 THR 305 -4.112 14.705 12.083 146 1HG2 THR 305 HG21 THR 305 -5.660 15.839 13.653 147 2HG2 THR 305 HG22 THR 305 -4.893 17.204 14.477 148 3HG2 THR 305 HG23 THR 305 -5.686 17.448 12.911 149 H GLU 306 H GLU 306 -1.075 17.450 13.897 150 HA GLU 306 HA GLU 306 -2.097 19.078 16.075 151 1HB GLU 306 HB2 GLU 306 0.778 18.188 15.634 152 2HB GLU 306 HB3 GLU 306 -0.008 18.613 17.158 153 1HG GLU 306 HG2 GLU 306 -1.562 16.626 16.780 154 2HG GLU 306 HG3 GLU 306 -0.512 16.140 15.440 155 H ASN 307 H ASN 307 -0.059 19.685 13.292 156 HA ASN 307 HA ASN 307 0.753 22.379 14.133 157 1HB ASN 307 HB2 ASN 307 1.213 20.736 11.607 158 2HB ASN 307 HB3 ASN 307 1.753 22.400 11.793 159 1HD2 ASN 307 HD22 ASN 307 2.439 19.077 12.701 160 2HD2 ASN 307 HD21 ASN 307 3.887 19.481 13.607 161 H GLU 308 H GLU 308 -1.886 20.982 12.278 162 HA GLU 308 HA GLU 308 -2.847 23.470 11.120 163 1HB GLU 308 HB2 GLU 308 -4.173 20.799 11.744 164 2HB GLU 308 HB3 GLU 308 -5.019 22.139 10.980 165 1HG GLU 308 HG2 GLU 308 -3.520 22.096 9.081 166 2HG GLU 308 HG3 GLU 308 -2.510 20.873 9.810 167 H LEU 309 H LEU 309 -2.954 22.163 14.313 168 HA LEU 309 HA LEU 309 -5.244 23.860 15.181 169 1HB LEU 309 HB2 LEU 309 -4.162 21.139 15.903 170 2HB LEU 309 HB3 LEU 309 -5.053 22.029 17.115 171 HG LEU 309 HG LEU 309 -7.043 22.131 15.833 172 1HD1 LEU 309 HD11 LEU 309 -7.392 20.854 13.754 173 2HD1 LEU 309 HD12 LEU 309 -6.304 22.214 13.495 174 3HD1 LEU 309 HD13 LEU 309 -5.654 20.557 13.628 175 1HD2 LEU 309 HD21 LEU 309 -6.555 20.165 17.219 176 2HD2 LEU 309 HD22 LEU 309 -7.536 19.713 15.817 177 3HD2 LEU 309 HD23 LEU 309 -5.789 19.356 15.831 178 H LYS 310 H LYS 310 -2.712 25.155 14.975 179 HA LYS 310 HA LYS 310 -1.300 25.408 17.446 180 1HB LYS 310 HB2 LYS 310 -1.811 27.532 15.318 181 2HB LYS 310 HB3 LYS 310 -0.598 27.643 16.589 182 1HG LYS 310 HG2 LYS 310 -0.633 25.595 14.352 183 2HG LYS 310 HG3 LYS 310 0.386 27.029 14.437 184 1HD LYS 310 HD2 LYS 310 1.480 26.123 16.494 185 2HD LYS 310 HD3 LYS 310 0.492 24.650 16.345 186 1HE LYS 310 HE2 LYS 310 1.421 24.301 14.053 187 2HE LYS 310 HE3 LYS 310 2.476 25.695 14.273 188 1HZ LYS 310 HZ1 LYS 310 3.625 24.555 16.023 189 2HZ LYS 310 HZ2 LYS 310 2.531 23.343 16.092 190 3HZ LYS 310 HZ3 LYS 310 3.505 23.471 14.794 191 H GLY 311 H GLY 311 -4.471 26.592 16.717 192 1HA GLY 311 HA2 GLY 311 -5.016 27.337 19.416 193 2HA GLY 311 HA3 GLY 311 -4.739 28.797 18.459 194 H GLN 312 H GLN 312 -7.061 28.929 19.368 195 HA GLN 312 HA GLN 312 -9.003 28.006 17.293 196 1HB GLN 312 HB2 GLN 312 -10.556 27.282 18.987 197 2HB GLN 312 HB3 GLN 312 -9.022 26.442 19.188 198 1HG GLN 312 HG2 GLN 312 -8.427 28.069 21.029 199 2HG GLN 312 HG3 GLN 312 -10.040 28.769 20.890 200 1HE2 GLN 312 HE22 GLN 312 -8.542 27.089 23.073 201 2HE2 GLN 312 HE21 GLN 312 -9.736 25.859 23.462 202 H GLN 313 H GLN 313 -7.754 30.719 18.626 203 HA GLN 313 HA GLN 313 -9.994 32.387 17.822 204 1HB GLN 313 HB2 GLN 313 -10.233 33.579 19.951 205 2HB GLN 313 HB3 GLN 313 -10.689 31.888 20.115 206 1HG GLN 313 HG2 GLN 313 -8.531 31.380 21.223 207 2HG GLN 313 HG3 GLN 313 -7.996 33.040 20.969 208 1HE2 GLN 313 HE21 GLN 313 -7.800 33.687 23.146 209 2HE2 GLN 313 HE22 GLN 313 -9.174 33.714 24.243 210 H ALA 314 H ALA 314 -9.413 34.760 18.074 211 HA ALA 314 HA ALA 314 -6.765 35.366 17.107 212 1HB ALA 314 HB1 ALA 314 -8.964 37.159 18.231 213 2HB ALA 314 HB2 ALA 314 -7.551 37.699 17.300 214 3HB ALA 314 HB3 ALA 314 -8.777 36.678 16.526 215 H LEU 315 H LEU 315 -5.228 36.787 18.115 216 HA LEU 315 HA LEU 315 -5.185 37.213 20.993 217 1HB LEU 315 HB2 LEU 315 -3.020 36.024 21.338 218 2HB LEU 315 HB3 LEU 315 -4.404 34.993 21.060 219 HG LEU 315 HG LEU 315 -3.630 34.583 18.713 220 1HD1 LEU 315 HD11 LEU 315 -1.244 35.067 18.185 221 2HD1 LEU 315 HD12 LEU 315 -2.211 36.535 18.291 222 3HD1 LEU 315 HD13 LEU 315 -1.141 36.086 19.639 223 1HD2 LEU 315 HD21 LEU 315 -1.814 33.076 19.389 224 2HD2 LEU 315 HD22 LEU 315 -1.639 33.950 20.928 225 3HD2 LEU 315 HD23 LEU 315 -3.129 33.047 20.571 226 1H GLY 586 H1 GLY 586 -11.485 10.745 38.917 227 2H GLY 586 H2 GLY 586 -10.451 9.527 38.556 228 3H GLY 586 H3 GLY 586 -11.177 10.370 37.353 229 1HA GLY 586 HA2 GLY 586 -10.003 12.385 37.978 230 2HA GLY 586 HA3 GLY 586 -9.219 11.462 39.271 231 H VAL 587 H VAL 587 -8.575 12.745 36.368 232 HA VAL 587 HA VAL 587 -7.235 10.613 34.933 233 HB VAL 587 HB VAL 587 -6.854 13.631 34.770 234 1HG1 VAL 587 HG11 VAL 587 -5.918 13.156 32.524 235 2HG1 VAL 587 HG12 VAL 587 -4.917 12.464 33.789 236 3HG1 VAL 587 HG13 VAL 587 -6.004 11.411 32.845 237 1HG2 VAL 587 HG21 VAL 587 -8.269 13.480 32.762 238 2HG2 VAL 587 HG22 VAL 587 -8.509 11.741 33.037 239 3HG2 VAL 587 HG23 VAL 587 -9.164 12.934 34.179 240 H ARG 588 H ARG 588 -5.588 9.510 35.805 241 HA ARG 588 HA ARG 588 -3.683 10.586 37.716 242 1HB ARG 588 HB2 ARG 588 -4.421 8.185 37.526 243 2HB ARG 588 HB3 ARG 588 -3.497 8.053 36.023 244 1HG ARG 588 HG2 ARG 588 -1.407 8.575 37.277 245 2HG ARG 588 HG3 ARG 588 -2.353 8.758 38.768 246 1HD ARG 588 HD2 ARG 588 -3.059 6.382 38.585 247 2HD ARG 588 HD3 ARG 588 -2.099 6.222 37.098 248 HE ARG 588 HE ARG 588 -0.442 7.217 39.217 249 1HH1 ARG 588 HH21 ARG 588 -1.927 4.195 38.244 250 2HH1 ARG 588 HH22 ARG 588 -0.729 3.238 39.074 251 1HH2 ARG 588 HH12 ARG 588 1.042 5.940 40.257 252 2HH2 ARG 588 HH11 ARG 588 0.904 4.207 40.186 253 H LYS 589 H LYS 589 -3.700 10.350 34.225 254 HA LYS 589 HA LYS 589 -0.893 10.703 33.729 255 1HB LYS 589 HB2 LYS 589 -3.153 11.499 31.852 256 2HB LYS 589 HB3 LYS 589 -1.489 11.078 31.444 257 1HG LYS 589 HG2 LYS 589 -2.058 8.735 32.487 258 2HG LYS 589 HG3 LYS 589 -3.741 9.265 32.328 259 1HD LYS 589 HD2 LYS 589 -2.895 9.876 29.831 260 2HD LYS 589 HD3 LYS 589 -1.673 8.666 30.220 261 1HE LYS 589 HE2 LYS 589 -3.415 7.540 29.060 262 2HE LYS 589 HE3 LYS 589 -3.583 7.059 30.755 263 1HZ LYS 589 HZ1 LYS 589 -5.742 7.756 29.688 264 2HZ LYS 589 HZ2 LYS 589 -5.368 8.677 30.978 265 3HZ LYS 589 HZ3 LYS 589 -5.113 9.262 29.473 266 H GLY 590 H GLY 590 0.068 12.526 32.563 267 1HA GLY 590 HA2 GLY 590 -0.628 15.141 33.849 268 2HA GLY 590 HA3 GLY 590 0.991 14.569 33.475 269 H TRP 591 H TRP 591 -1.341 14.065 30.942 270 HA TRP 591 HA TRP 591 -0.299 16.466 29.471 271 1HB TRP 591 HB2 TRP 591 0.036 15.157 27.551 272 2HB TRP 591 HB3 TRP 591 0.814 14.344 28.898 273 HD1 TRP 591 HD1 TRP 591 -0.065 11.984 29.616 274 HE1 TRP 591 HE1 TRP 591 -1.294 10.153 28.269 275 HE3 TRP 591 HE3 TRP 591 -1.894 14.849 25.779 276 HZ2 TRP 591 HZ2 TRP 591 -2.950 9.986 25.958 277 HZ3 TRP 591 HZ3 TRP 591 -3.207 13.780 23.951 278 HH2 TRP 591 HH2 TRP 591 -3.738 11.366 24.036 279 H HIS 592 H HIS 592 -3.209 14.977 30.432 280 HA HIS 592 HA HIS 592 -4.800 15.428 28.093 281 1HB HIS 592 HB2 HIS 592 -5.477 15.088 31.032 282 2HB HIS 592 HB3 HIS 592 -6.694 15.289 29.780 283 HD1 HIS 592 HD1 HIS 592 -7.731 12.935 29.996 284 HD2 HIS 592 HD2 HIS 592 -3.591 12.947 29.169 285 HE1 HIS 592 HE1 HIS 592 -7.120 10.544 29.396 286 H GLU 593 H GLU 593 -3.794 17.670 30.633 287 HA GLU 593 HA GLU 593 -5.719 19.726 30.205 288 1HB GLU 593 HB2 GLU 593 -4.170 21.130 31.398 289 2HB GLU 593 HB3 GLU 593 -4.250 19.550 32.164 290 1HG GLU 593 HG2 GLU 593 -2.094 18.925 31.023 291 2HG GLU 593 HG3 GLU 593 -2.019 20.545 30.330 292 H HIS 594 H HIS 594 -3.129 18.720 28.147 293 HA HIS 594 HA HIS 594 -2.982 21.283 26.665 294 1HB HIS 594 HB2 HIS 594 -0.951 20.030 27.310 295 2HB HIS 594 HB3 HIS 594 -1.525 18.626 26.415 296 HD1 HIS 594 HD1 HIS 594 -1.261 22.305 25.109 297 HD2 HIS 594 HD2 HIS 594 0.167 18.393 24.512 298 HE1 HIS 594 HE1 HIS 594 0.185 22.386 23.012 299 H VAL 595 H VAL 595 -4.747 18.325 26.513 300 HA VAL 595 HA VAL 595 -5.101 18.134 23.624 301 HB VAL 595 HB VAL 595 -6.622 16.856 25.940 302 1HG1 VAL 595 HG11 VAL 595 -6.622 16.128 22.978 303 2HG1 VAL 595 HG12 VAL 595 -7.297 15.136 24.288 304 3HG1 VAL 595 HG13 VAL 595 -8.013 16.695 23.939 305 1HG2 VAL 595 HG21 VAL 595 -5.250 14.868 25.429 306 2HG2 VAL 595 HG22 VAL 595 -4.390 15.780 24.164 307 3HG2 VAL 595 HG23 VAL 595 -4.215 16.218 25.874 308 H THR 596 H THR 596 -6.976 18.594 22.432 309 HA THR 596 HA THR 596 -9.122 20.234 23.705 310 HB THR 596 HB THR 596 -9.340 21.572 21.710 311 HG1 THR 596 HG1 THR 596 -7.705 21.413 20.089 312 1HG2 THR 596 HG21 THR 596 -7.359 22.946 21.807 313 2HG2 THR 596 HG22 THR 596 -7.703 22.356 23.442 314 3HG2 THR 596 HG23 THR 596 -6.395 21.619 22.489 315 H GLN 597 H GLN 597 -11.213 20.007 22.719 316 HA GLN 597 HA GLN 597 -11.919 17.379 21.887 317 1HB GLN 597 HB2 GLN 597 -13.428 19.089 22.931 318 2HB GLN 597 HB3 GLN 597 -13.415 19.993 21.408 319 1HG GLN 597 HG2 GLN 597 -14.410 17.997 20.256 320 2HG GLN 597 HG3 GLN 597 -14.467 17.153 21.805 321 1HE2 GLN 597 HE22 GLN 597 -16.411 18.815 19.689 322 2HE2 GLN 597 HE21 GLN 597 -17.566 19.468 20.844 323 H ASP 598 H ASP 598 -11.202 20.308 19.935 324 HA ASP 598 HA ASP 598 -11.986 19.225 17.431 325 1HB ASP 598 HB2 ASP 598 -11.558 21.650 18.041 326 2HB ASP 598 HB3 ASP 598 -9.830 21.313 17.902 327 H LEU 599 H LEU 599 -8.843 18.975 19.147 328 HA LEU 599 HA LEU 599 -7.403 17.702 17.020 329 1HB LEU 599 HB2 LEU 599 -6.336 18.668 19.046 330 2HB LEU 599 HB3 LEU 599 -7.093 17.430 20.041 331 HG LEU 599 HG LEU 599 -5.793 15.669 18.904 332 1HD1 LEU 599 HD11 LEU 599 -3.921 16.275 17.396 333 2HD1 LEU 599 HD12 LEU 599 -5.484 16.656 16.676 334 3HD1 LEU 599 HD13 LEU 599 -4.485 17.960 17.370 335 1HD2 LEU 599 HD21 LEU 599 -4.061 17.987 19.860 336 2HD2 LEU 599 HD22 LEU 599 -4.840 16.766 20.895 337 3HD2 LEU 599 HD23 LEU 599 -3.568 16.285 19.758 338 H ARG 600 H ARG 600 -9.363 16.333 19.681 339 HA ARG 600 HA ARG 600 -9.096 13.562 18.923 340 1HB ARG 600 HB2 ARG 600 -11.454 14.933 20.309 341 2HB ARG 600 HB3 ARG 600 -11.126 13.216 20.295 342 1HG ARG 600 HG2 ARG 600 -9.404 15.350 21.628 343 2HG ARG 600 HG3 ARG 600 -10.537 14.285 22.437 344 1HD ARG 600 HD2 ARG 600 -8.009 13.438 20.973 345 2HD ARG 600 HD3 ARG 600 -8.194 13.550 22.715 346 HE ARG 600 HE ARG 600 -9.068 11.382 20.981 347 1HH1 ARG 600 HH11 ARG 600 -9.669 12.803 24.138 348 2HH1 ARG 600 HH12 ARG 600 -10.501 11.384 24.705 349 1HH2 ARG 600 HH22 ARG 600 -10.221 9.713 21.703 350 2HH2 ARG 600 HH21 ARG 600 -10.784 9.647 23.367 351 H SER 601 H SER 601 -11.694 15.925 18.105 352 HA SER 601 HA SER 601 -13.268 14.274 16.476 353 1HB SER 601 HB2 SER 601 -12.634 17.227 16.107 354 2HB SER 601 HB3 SER 601 -14.000 16.377 15.363 355 HG SER 601 HG SER 601 -14.843 15.955 17.428 356 H HIS 602 H HIS 602 -10.587 16.421 15.361 357 HA HIS 602 HA HIS 602 -10.842 15.650 12.613 358 1HB HIS 602 HB2 HIS 602 -9.876 17.762 13.490 359 2HB HIS 602 HB3 HIS 602 -8.494 16.878 14.098 360 HD1 HIS 602 HD1 HIS 602 -9.463 18.894 11.238 361 HD2 HIS 602 HD2 HIS 602 -7.262 15.348 11.763 362 HE1 HIS 602 HE1 HIS 602 -8.062 18.601 9.131 363 H LEU 603 H LEU 603 -8.655 14.438 15.239 364 HA LEU 603 HA LEU 603 -7.317 12.582 13.482 365 1HB LEU 603 HB2 LEU 603 -7.527 12.763 16.506 366 2HB LEU 603 HB3 LEU 603 -6.634 11.492 15.697 367 HG LEU 603 HG LEU 603 -6.058 14.480 15.476 368 1HD1 LEU 603 HD11 LEU 603 -4.454 12.216 16.709 369 2HD1 LEU 603 HD12 LEU 603 -3.945 13.909 16.601 370 3HD1 LEU 603 HD13 LEU 603 -5.342 13.482 17.595 371 1HD2 LEU 603 HD21 LEU 603 -4.581 12.135 14.213 372 2HD2 LEU 603 HD22 LEU 603 -5.418 13.447 13.343 373 3HD2 LEU 603 HD23 LEU 603 -3.977 13.800 14.288 374 H VAL 604 H VAL 604 -10.256 12.111 15.531 375 HA VAL 604 HA VAL 604 -10.650 9.353 14.831 376 HB VAL 604 HB VAL 604 -12.667 11.557 15.409 377 1HG1 VAL 604 HG11 VAL 604 -13.210 8.561 15.133 378 2HG1 VAL 604 HG12 VAL 604 -14.351 9.784 15.736 379 3HG1 VAL 604 HG13 VAL 604 -13.836 9.837 14.060 380 1HG2 VAL 604 HG21 VAL 604 -12.950 10.470 17.557 381 2HG2 VAL 604 HG22 VAL 604 -11.876 9.139 17.085 382 3HG2 VAL 604 HG23 VAL 604 -11.224 10.768 17.332 383 H HIS 605 H HIS 605 -11.790 12.337 13.127 384 HA HIS 605 HA HIS 605 -13.084 10.953 11.023 385 1HB HIS 605 HB2 HIS 605 -13.418 13.344 11.586 386 2HB HIS 605 HB3 HIS 605 -11.810 13.716 10.966 387 HD1 HIS 605 HD1 HIS 605 -15.338 12.881 9.755 388 HD2 HIS 605 HD2 HIS 605 -11.477 13.612 8.246 389 HE1 HIS 605 HE1 HIS 605 -15.605 13.215 7.242 390 H LYS 606 H LYS 606 -9.750 12.263 11.084 391 HA LYS 606 HA LYS 606 -9.146 11.283 8.440 392 1HB LYS 606 HB2 LYS 606 -8.056 13.200 9.621 393 2HB LYS 606 HB3 LYS 606 -7.128 12.040 10.582 394 1HG LYS 606 HG2 LYS 606 -5.828 11.382 8.734 395 2HG LYS 606 HG3 LYS 606 -7.114 11.714 7.573 396 1HD LYS 606 HD2 LYS 606 -5.299 13.313 7.272 397 2HD LYS 606 HD3 LYS 606 -6.792 14.118 7.775 398 1HE LYS 606 HE2 LYS 606 -5.880 14.015 10.176 399 2HE LYS 606 HE3 LYS 606 -4.341 13.503 9.472 400 1HZ LYS 606 HZ1 LYS 606 -5.749 16.069 8.966 401 2HZ LYS 606 HZ2 LYS 606 -4.403 15.860 9.844 402 3HZ LYS 606 HZ3 LYS 606 -4.330 15.619 8.225 403 H LEU 607 H LEU 607 -8.952 9.718 11.587 404 HA LEU 607 HA LEU 607 -7.508 7.393 10.801 405 1HB LEU 607 HB2 LEU 607 -9.090 8.201 13.080 406 2HB LEU 607 HB3 LEU 607 -9.764 6.707 12.514 407 HG LEU 607 HG LEU 607 -7.537 5.617 12.717 408 1HD1 LEU 607 HD11 LEU 607 -5.778 6.696 14.047 409 2HD1 LEU 607 HD12 LEU 607 -6.056 7.648 12.574 410 3HD1 LEU 607 HD13 LEU 607 -6.710 8.206 14.120 411 1HD2 LEU 607 HD21 LEU 607 -8.506 7.001 15.223 412 2HD2 LEU 607 HD22 LEU 607 -9.231 5.538 14.518 413 3HD2 LEU 607 HD23 LEU 607 -7.576 5.488 15.146 414 H VAL 608 H VAL 608 -11.049 8.014 10.761 415 HA VAL 608 HA VAL 608 -11.873 5.675 9.419 416 HB VAL 608 HB VAL 608 -13.126 8.451 9.367 417 1HG1 VAL 608 HG11 VAL 608 -15.231 7.254 8.804 418 2HG1 VAL 608 HG12 VAL 608 -14.047 7.153 7.505 419 3HG1 VAL 608 HG13 VAL 608 -14.289 5.757 8.585 420 1HG2 VAL 608 HG21 VAL 608 -12.943 7.378 11.638 421 2HG2 VAL 608 HG22 VAL 608 -14.607 7.579 11.094 422 3HG2 VAL 608 HG23 VAL 608 -13.834 5.981 10.998 423 H GLN 609 H GLN 609 -10.950 8.820 7.932 424 HA GLN 609 HA GLN 609 -11.477 8.119 5.244 425 1HB GLN 609 HB2 GLN 609 -9.341 9.958 6.398 426 2HB GLN 609 HB3 GLN 609 -9.723 9.874 4.687 427 1HG GLN 609 HG2 GLN 609 -11.754 10.631 6.819 428 2HG GLN 609 HG3 GLN 609 -10.801 11.789 5.904 429 1HE2 GLN 609 HE22 GLN 609 -13.378 12.263 5.679 430 2HE2 GLN 609 HE21 GLN 609 -14.024 11.654 4.152 431 H ALA 610 H ALA 610 -8.444 7.528 7.099 432 HA ALA 610 HA ALA 610 -7.109 6.334 4.805 433 1HB ALA 610 HB1 ALA 610 -6.586 6.063 7.772 434 2HB ALA 610 HB2 ALA 610 -5.484 5.528 6.490 435 3HB ALA 610 HB3 ALA 610 -5.835 7.264 6.693 436 H ILE 611 H ILE 611 -8.851 5.001 7.654 437 HA ILE 611 HA ILE 611 -8.341 2.260 7.212 438 HB ILE 611 HB ILE 611 -10.620 3.688 8.616 439 1HG1 ILE 611 HG12 ILE 611 -8.245 2.165 9.784 440 2HG1 ILE 611 HG13 ILE 611 -8.157 3.864 9.445 441 1HG2 ILE 611 HG21 ILE 611 -9.924 0.717 8.820 442 2HG2 ILE 611 HG22 ILE 611 -11.188 1.588 9.720 443 3HG2 ILE 611 HG23 ILE 611 -11.343 1.367 7.990 444 1HD1 ILE 611 HD11 ILE 611 -8.654 3.569 11.786 445 2HD1 ILE 611 HD12 ILE 611 -10.076 4.285 11.003 446 3HD1 ILE 611 HD13 ILE 611 -10.063 2.564 11.432 447 H PHE 612 H PHE 612 -11.232 4.158 6.070 448 HA PHE 612 HA PHE 612 -11.237 2.400 3.692 449 1HB PHE 612 HB2 PHE 612 -12.832 1.344 5.131 450 2HB PHE 612 HB3 PHE 612 -13.627 2.887 5.435 451 HD1 PHE 612 HD1 PHE 612 -15.710 1.726 4.924 452 HD2 PHE 612 HD2 PHE 612 -12.657 2.160 1.910 453 HE1 PHE 612 HE1 PHE 612 -17.408 1.377 3.153 454 HE2 PHE 612 HE2 PHE 612 -14.364 1.849 0.139 455 HZ PHE 612 HZ PHE 612 -16.737 1.441 0.778 456 HA PRO 613 HA PRO 613 -11.247 6.780 2.396 457 1HB PRO 613 HB2 PRO 613 -10.938 5.375 -0.256 458 2HB PRO 613 HB3 PRO 613 -10.077 6.819 0.363 459 1HG PRO 613 HG2 PRO 613 -8.851 4.414 0.400 460 2HG PRO 613 HG3 PRO 613 -8.748 5.474 1.845 461 1HD PRO 613 HD2 PRO 613 -10.617 3.143 1.353 462 2HD PRO 613 HD3 PRO 613 -9.635 3.488 2.803 463 H THR 614 H THR 614 -13.545 4.420 1.719 464 HA THR 614 HA THR 614 -15.551 4.203 0.877 465 HB THR 614 HB THR 614 -17.158 6.000 0.769 466 HG1 THR 614 HG1 THR 614 -14.886 7.557 0.990 467 1HG2 THR 614 HG21 THR 614 -17.223 6.472 3.107 468 2HG2 THR 614 HG22 THR 614 -16.604 4.833 2.904 469 3HG2 THR 614 HG23 THR 614 -15.481 6.156 3.290 470 HA PRO 615 HA PRO 615 -15.416 4.453 -3.513 471 1HB PRO 615 HB2 PRO 615 -17.992 3.795 -4.227 472 2HB PRO 615 HB3 PRO 615 -16.840 2.623 -3.520 473 1HG PRO 615 HG2 PRO 615 -18.958 4.191 -2.039 474 2HG PRO 615 HG3 PRO 615 -18.651 2.423 -2.007 475 1HD PRO 615 HD2 PRO 615 -17.583 3.968 -0.088 476 2HD PRO 615 HD3 PRO 615 -16.595 2.702 -0.875 477 H ASP 616 H ASP 616 -17.946 6.187 -1.796 478 HA ASP 616 HA ASP 616 -17.866 8.608 -3.456 479 1HB ASP 616 HB2 ASP 616 -20.278 6.769 -3.187 480 2HB ASP 616 HB3 ASP 616 -20.468 8.447 -3.574 481 HA PRO 617 HA PRO 617 -18.686 10.218 0.561 482 1HB PRO 617 HB2 PRO 617 -20.034 12.581 0.148 483 2HB PRO 617 HB3 PRO 617 -18.318 12.320 -0.284 484 1HG PRO 617 HG2 PRO 617 -20.739 12.177 -2.087 485 2HG PRO 617 HG3 PRO 617 -19.161 12.964 -2.405 486 1HD PRO 617 HD2 PRO 617 -19.836 10.476 -3.338 487 2HD PRO 617 HD3 PRO 617 -18.154 10.880 -2.942 488 H ALA 618 H ALA 618 -21.471 9.361 -1.343 489 HA ALA 618 HA ALA 618 -23.461 9.526 0.737 490 1HB ALA 618 HB1 ALA 618 -23.214 7.666 -1.674 491 2HB ALA 618 HB2 ALA 618 -24.682 7.938 -0.710 492 3HB ALA 618 HB3 ALA 618 -23.993 9.267 -1.663 493 H ALA 619 H ALA 619 -20.859 7.192 0.054 494 HA ALA 619 HA ALA 619 -21.930 5.104 1.766 495 1HB ALA 619 HB1 ALA 619 -20.574 4.563 -0.191 496 2HB ALA 619 HB2 ALA 619 -19.208 5.473 0.464 497 3HB ALA 619 HB3 ALA 619 -19.761 4.001 1.282 498 H LEU 620 H LEU 620 -19.973 7.950 2.407 499 HA LEU 620 HA LEU 620 -18.685 7.256 4.827 500 1HB LEU 620 HB2 LEU 620 -19.925 9.863 3.881 501 2HB LEU 620 HB3 LEU 620 -18.948 9.735 5.321 502 HG LEU 620 HG LEU 620 -17.861 8.964 2.593 503 1HD1 LEU 620 HD11 LEU 620 -17.578 11.628 4.052 504 2HD1 LEU 620 HD12 LEU 620 -16.822 11.171 2.506 505 3HD1 LEU 620 HD13 LEU 620 -18.581 11.354 2.616 506 1HD2 LEU 620 HD21 LEU 620 -15.683 9.290 3.674 507 2HD2 LEU 620 HD22 LEU 620 -16.465 9.796 5.188 508 3HD2 LEU 620 HD23 LEU 620 -16.612 8.126 4.623 509 H LYS 621 H LYS 621 -22.057 7.715 4.214 510 HA LYS 621 HA LYS 621 -22.711 7.490 7.131 511 1HB LYS 621 HB2 LYS 621 -24.690 8.840 6.732 512 2HB LYS 621 HB3 LYS 621 -23.227 9.710 6.283 513 1HG LYS 621 HG2 LYS 621 -23.645 9.264 3.892 514 2HG LYS 621 HG3 LYS 621 -25.083 8.306 4.304 515 1HD LYS 621 HD2 LYS 621 -26.130 10.318 5.309 516 2HD LYS 621 HD3 LYS 621 -24.687 11.274 4.897 517 1HE LYS 621 HE2 LYS 621 -25.032 10.778 2.496 518 2HE LYS 621 HE3 LYS 621 -26.446 9.791 2.888 519 1HZ LYS 621 HZ1 LYS 621 -27.530 11.786 3.755 520 2HZ LYS 621 HZ2 LYS 621 -26.218 12.705 3.433 521 3HZ LYS 621 HZ3 LYS 621 -27.074 12.047 2.212 522 H ASP 622 H ASP 622 -22.440 5.419 4.848 523 HA ASP 622 HA ASP 622 -24.981 4.093 4.580 524 1HB ASP 622 HB2 ASP 622 -23.023 3.669 3.149 525 2HB ASP 622 HB3 ASP 622 -22.125 3.033 4.528 526 H ARG 623 H ARG 623 -25.950 2.490 5.823 527 HA ARG 623 HA ARG 623 -25.633 2.532 8.626 528 1HB ARG 623 HB2 ARG 623 -27.256 0.635 8.649 529 2HB ARG 623 HB3 ARG 623 -27.740 2.092 7.816 530 1HG ARG 623 HG2 ARG 623 -28.561 0.215 6.638 531 2HG ARG 623 HG3 ARG 623 -27.396 1.028 5.620 532 1HD ARG 623 HD2 ARG 623 -26.350 -1.255 7.268 533 2HD ARG 623 HD3 ARG 623 -27.559 -1.657 6.054 534 HE ARG 623 HE ARG 623 -25.137 -0.073 5.250 535 1HH1 ARG 623 HH11 ARG 623 -26.927 -3.072 4.826 536 2HH1 ARG 623 HH12 ARG 623 -26.055 -3.445 3.365 537 1HH2 ARG 623 HH21 ARG 623 -24.231 -0.511 3.432 538 2HH2 ARG 623 HH22 ARG 623 -24.522 -2.021 2.580 539 H ARG 624 H ARG 624 -23.612 0.756 6.561 540 HA ARG 624 HA ARG 624 -22.550 -0.789 8.918 541 1HB ARG 624 HB2 ARG 624 -22.313 -1.250 5.929 542 2HB ARG 624 HB3 ARG 624 -21.224 -2.011 7.103 543 1HG ARG 624 HG2 ARG 624 -23.123 -3.049 8.264 544 2HG ARG 624 HG3 ARG 624 -24.256 -2.283 7.140 545 1HD ARG 624 HD2 ARG 624 -23.189 -3.496 5.253 546 2HD ARG 624 HD3 ARG 624 -22.085 -4.287 6.399 547 HE ARG 624 HE ARG 624 -24.703 -4.772 7.329 548 1HH1 ARG 624 HH11 ARG 624 -22.819 -5.705 4.526 549 2HH1 ARG 624 HH12 ARG 624 -23.725 -7.176 4.296 550 1HH2 ARG 624 HH21 ARG 624 -25.815 -6.659 6.978 551 2HH2 ARG 624 HH22 ARG 624 -25.374 -7.695 5.654 552 H MET 625 H MET 625 -21.839 1.915 6.828 553 HA MET 625 HA MET 625 -19.003 2.033 7.469 554 1HB MET 625 HB2 MET 625 -20.105 3.344 5.583 555 2HB MET 625 HB3 MET 625 -20.853 4.368 6.817 556 1HG MET 625 HG2 MET 625 -18.863 5.429 5.967 557 2HG MET 625 HG3 MET 625 -18.569 4.968 7.639 558 1HE MET 625 HE1 MET 625 -16.158 5.799 5.589 559 2HE MET 625 HE2 MET 625 -16.070 5.398 7.312 560 3HE MET 625 HE3 MET 625 -14.973 4.598 6.159 561 H GLU 626 H GLU 626 -21.997 3.223 9.032 562 HA GLU 626 HA GLU 626 -21.001 4.518 11.277 563 1HB GLU 626 HB2 GLU 626 -23.369 2.692 10.925 564 2HB GLU 626 HB3 GLU 626 -23.049 3.549 12.437 565 1HG GLU 626 HG2 GLU 626 -23.318 4.944 9.734 566 2HG GLU 626 HG3 GLU 626 -24.625 4.702 10.876 567 H ASN 627 H ASN 627 -21.086 0.988 10.793 568 HA ASN 627 HA ASN 627 -20.208 0.304 13.489 569 1HB ASN 627 HB2 ASN 627 -20.007 -1.296 10.903 570 2HB ASN 627 HB3 ASN 627 -19.757 -1.921 12.524 571 1HD2 ASN 627 HD21 ASN 627 -21.678 -2.906 10.612 572 2HD2 ASN 627 HD22 ASN 627 -23.258 -2.654 11.342 573 H LEU 628 H LEU 628 -18.519 0.864 10.387 574 HA LEU 628 HA LEU 628 -15.886 0.312 11.406 575 1HB LEU 628 HB2 LEU 628 -16.628 0.282 8.982 576 2HB LEU 628 HB3 LEU 628 -16.704 2.043 9.041 577 HG LEU 628 HG LEU 628 -14.233 2.070 9.640 578 1HD1 LEU 628 HD11 LEU 628 -12.939 0.006 9.122 579 2HD1 LEU 628 HD12 LEU 628 -13.997 -0.239 10.505 580 3HD1 LEU 628 HD13 LEU 628 -14.454 -0.879 8.903 581 1HD2 LEU 628 HD21 LEU 628 -14.994 2.449 7.368 582 2HD2 LEU 628 HD22 LEU 628 -13.505 1.499 7.360 583 3HD2 LEU 628 HD23 LEU 628 -15.064 0.699 7.056 584 H VAL 629 H VAL 629 -17.809 3.266 11.131 585 HA VAL 629 HA VAL 629 -15.883 5.158 12.116 586 HB VAL 629 HB VAL 629 -18.902 5.065 11.946 587 1HG1 VAL 629 HG11 VAL 629 -18.538 6.492 13.870 588 2HG1 VAL 629 HG12 VAL 629 -17.280 7.408 12.993 589 3HG1 VAL 629 HG13 VAL 629 -18.985 7.462 12.466 590 1HG2 VAL 629 HG21 VAL 629 -18.592 6.714 10.202 591 2HG2 VAL 629 HG22 VAL 629 -16.864 6.867 10.579 592 3HG2 VAL 629 HG23 VAL 629 -17.491 5.372 9.867 593 H ALA 630 H ALA 630 -18.324 3.175 13.874 594 HA ALA 630 HA ALA 630 -17.595 4.083 16.493 595 1HB ALA 630 HB1 ALA 630 -18.819 2.079 17.246 596 2HB ALA 630 HB2 ALA 630 -19.722 2.953 15.993 597 3HB ALA 630 HB3 ALA 630 -18.853 1.456 15.584 598 H TYR 631 H TYR 631 -16.420 1.296 14.533 599 HA TYR 631 HA TYR 631 -14.463 0.326 16.370 600 1HB TYR 631 HB2 TYR 631 -14.944 -1.066 14.608 601 2HB TYR 631 HB3 TYR 631 -14.922 0.207 13.412 602 HD1 TYR 631 HD1 TYR 631 -12.788 -2.202 15.282 603 HD2 TYR 631 HD2 TYR 631 -12.869 0.991 12.353 604 HE1 TYR 631 HE1 TYR 631 -10.584 -2.845 14.489 605 HE2 TYR 631 HE2 TYR 631 -10.613 0.313 11.577 606 HH TYR 631 HH TYR 631 -8.885 -1.133 11.837 607 H ALA 632 H ALA 632 -14.095 2.855 13.797 608 HA ALA 632 HA ALA 632 -11.397 3.530 14.408 609 1HB ALA 632 HB1 ALA 632 -11.901 5.614 13.216 610 2HB ALA 632 HB2 ALA 632 -12.572 4.212 12.358 611 3HB ALA 632 HB3 ALA 632 -13.639 5.270 13.311 612 H LYS 633 H LYS 633 -14.470 4.890 15.792 613 HA LYS 633 HA LYS 633 -13.164 6.718 17.608 614 1HB LYS 633 HB2 LYS 633 -15.874 5.332 17.660 615 2HB LYS 633 HB3 LYS 633 -15.361 6.465 18.915 616 1HG LYS 633 HG2 LYS 633 -15.089 8.259 17.327 617 2HG LYS 633 HG3 LYS 633 -15.418 7.187 15.956 618 1HD LYS 633 HD2 LYS 633 -17.722 6.801 16.820 619 2HD LYS 633 HD3 LYS 633 -17.384 7.904 18.175 620 1HE LYS 633 HE2 LYS 633 -16.895 9.726 16.527 621 2HE LYS 633 HE3 LYS 633 -17.301 8.623 15.206 622 1HZ LYS 633 HZ1 LYS 633 -19.197 10.017 15.786 623 2HZ LYS 633 HZ2 LYS 633 -19.564 8.467 16.148 624 3HZ LYS 633 HZ3 LYS 633 -19.174 9.518 17.337 625 H LYS 634 H LYS 634 -14.116 3.325 18.079 626 HA LYS 634 HA LYS 634 -13.246 3.087 20.803 627 1HB LYS 634 HB2 LYS 634 -14.779 1.493 19.690 628 2HB LYS 634 HB3 LYS 634 -13.495 0.980 18.609 629 1HG LYS 634 HG2 LYS 634 -13.863 -0.651 20.385 630 2HG LYS 634 HG3 LYS 634 -12.231 -0.005 20.437 631 1HD LYS 634 HD2 LYS 634 -13.165 -0.296 22.680 632 2HD LYS 634 HD3 LYS 634 -12.798 1.402 22.373 633 1HE LYS 634 HE2 LYS 634 -15.187 1.855 21.899 634 2HE LYS 634 HE3 LYS 634 -15.567 0.139 22.100 635 1HZ LYS 634 HZ1 LYS 634 -16.048 1.398 24.121 636 2HZ LYS 634 HZ2 LYS 634 -14.864 0.319 24.425 637 3HZ LYS 634 HZ3 LYS 634 -14.502 1.903 24.246 638 H VAL 635 H VAL 635 -11.504 2.263 17.773 639 HA VAL 635 HA VAL 635 -8.991 1.607 18.979 640 HB VAL 635 HB VAL 635 -9.699 2.688 16.227 641 1HG1 VAL 635 HG11 VAL 635 -7.361 3.328 16.625 642 2HG1 VAL 635 HG12 VAL 635 -6.986 1.689 17.207 643 3HG1 VAL 635 HG13 VAL 635 -7.430 1.967 15.509 644 1HG2 VAL 635 HG21 VAL 635 -9.261 0.389 15.506 645 2HG2 VAL 635 HG22 VAL 635 -8.766 -0.074 17.147 646 3HG2 VAL 635 HG23 VAL 635 -10.451 0.351 16.809 647 H GLU 636 H GLU 636 -10.161 4.803 17.709 648 HA GLU 636 HA GLU 636 -7.864 6.245 18.369 649 1HB GLU 636 HB2 GLU 636 -9.806 6.964 16.969 650 2HB GLU 636 HB3 GLU 636 -10.730 7.286 18.413 651 1HG GLU 636 HG2 GLU 636 -8.012 8.560 17.854 652 2HG GLU 636 HG3 GLU 636 -9.474 9.210 17.169 653 H GLY 637 H GLY 637 -10.722 5.690 20.468 654 1HA GLY 637 HA2 GLY 637 -9.747 7.077 22.765 655 2HA GLY 637 HA3 GLY 637 -10.976 5.805 22.743 656 H ASP 638 H ASP 638 -9.124 3.723 21.641 657 HA ASP 638 HA ASP 638 -7.958 2.868 24.181 658 1HB ASP 638 HB2 ASP 638 -9.048 1.332 22.539 659 2HB ASP 638 HB3 ASP 638 -7.737 1.646 21.401 660 H MET 639 H MET 639 -6.723 4.100 21.068 661 HA MET 639 HA MET 639 -3.900 3.851 21.695 662 1HB MET 639 HB2 MET 639 -5.377 5.646 19.735 663 2HB MET 639 HB3 MET 639 -3.631 5.401 19.757 664 1HG MET 639 HG2 MET 639 -5.673 3.190 19.273 665 2HG MET 639 HG3 MET 639 -4.869 4.084 18.019 666 1HE MET 639 HE1 MET 639 -4.307 1.739 21.190 667 2HE MET 639 HE2 MET 639 -5.074 0.892 19.831 668 3HE MET 639 HE3 MET 639 -3.438 0.440 20.355 669 H TYR 640 H TYR 640 -6.307 6.426 22.159 670 HA TYR 640 HA TYR 640 -4.601 8.430 23.296 671 1HB TYR 640 HB2 TYR 640 -6.862 8.729 22.390 672 2HB TYR 640 HB3 TYR 640 -7.544 7.769 23.674 673 HD1 TYR 640 HD1 TYR 640 -5.863 10.972 22.829 674 HD2 TYR 640 HD2 TYR 640 -7.993 8.767 25.861 675 HE1 TYR 640 HE1 TYR 640 -6.146 13.059 24.140 676 HE2 TYR 640 HE2 TYR 640 -8.317 10.870 27.155 677 HH TYR 640 HH TYR 640 -7.941 13.136 27.239 678 H GLU 641 H GLU 641 -6.650 5.921 24.951 679 HA GLU 641 HA GLU 641 -5.671 6.571 27.555 680 1HB GLU 641 HB2 GLU 641 -7.052 4.148 26.357 681 2HB GLU 641 HB3 GLU 641 -6.586 4.188 28.049 682 1HG GLU 641 HG2 GLU 641 -8.338 6.356 26.827 683 2HG GLU 641 HG3 GLU 641 -8.986 4.857 27.482 684 H SER 642 H SER 642 -4.259 4.538 25.076 685 HA SER 642 HA SER 642 -2.402 3.184 26.881 686 1HB SER 642 HB2 SER 642 -2.643 3.403 23.870 687 2HB SER 642 HB3 SER 642 -1.255 2.608 24.625 688 HG SER 642 HG SER 642 -2.638 1.155 25.645 689 H ALA 643 H ALA 643 -2.357 6.413 25.821 690 HA ALA 643 HA ALA 643 0.579 6.483 25.451 691 1HB ALA 643 HB1 ALA 643 -0.900 7.385 23.716 692 2HB ALA 643 HB2 ALA 643 -1.586 8.528 24.888 693 3HB ALA 643 HB3 ALA 643 0.124 8.643 24.435 694 H ASN 644 H ASN 644 1.955 7.570 26.630 695 HA ASN 644 HA ASN 644 1.185 8.841 29.197 696 1HB ASN 644 HB2 ASN 644 3.925 8.283 27.966 697 2HB ASN 644 HB3 ASN 644 3.608 8.799 29.622 698 1HD2 ASN 644 HD22 ASN 644 3.332 6.130 27.331 699 2HD2 ASN 644 HD21 ASN 644 2.990 4.903 28.542 700 H SER 645 H SER 645 1.797 9.803 25.999 701 HA SER 645 HA SER 645 1.702 12.664 26.752 702 1HB SER 645 HB2 SER 645 3.592 13.298 25.388 703 2HB SER 645 HB3 SER 645 4.129 12.086 26.558 704 HG SER 645 HG SER 645 4.944 11.528 24.558 705 H ARG 646 H ARG 646 1.222 14.096 24.957 706 HA ARG 646 HA ARG 646 -0.786 13.244 23.137 707 1HB ARG 646 HB2 ARG 646 -0.191 15.624 23.988 708 2HB ARG 646 HB3 ARG 646 1.062 15.627 22.751 709 1HG ARG 646 HG2 ARG 646 -1.018 14.990 21.150 710 2HG ARG 646 HG3 ARG 646 -1.950 15.678 22.481 711 1HD ARG 646 HD2 ARG 646 -1.562 17.461 20.953 712 2HD ARG 646 HD3 ARG 646 -0.456 17.754 22.297 713 HE ARG 646 HE ARG 646 0.333 16.367 19.743 714 1HH1 ARG 646 HH11 ARG 646 1.198 18.925 22.053 715 2HH1 ARG 646 HH12 ARG 646 2.766 19.098 21.328 716 1HH2 ARG 646 HH21 ARG 646 2.220 16.844 18.793 717 2HH2 ARG 646 HH22 ARG 646 3.330 17.972 19.541 718 H ASP 647 H ASP 647 2.694 13.619 22.669 719 HA ASP 647 HA ASP 647 2.813 13.058 19.864 720 1HB ASP 647 HB2 ASP 647 4.596 14.162 21.162 721 2HB ASP 647 HB3 ASP 647 4.870 12.681 22.079 722 H GLU 648 H GLU 648 3.131 10.855 22.734 723 HA GLU 648 HA GLU 648 3.518 8.489 21.134 724 1HB GLU 648 HB2 GLU 648 4.173 8.657 23.487 725 2HB GLU 648 HB3 GLU 648 2.477 8.784 23.977 726 1HG GLU 648 HG2 GLU 648 2.023 6.527 23.195 727 2HG GLU 648 HG3 GLU 648 3.607 6.424 22.412 728 H TYR 649 H TYR 649 0.558 10.063 22.401 729 HA TYR 649 HA TYR 649 -1.342 8.112 21.555 730 1HB TYR 649 HB2 TYR 649 -2.261 9.655 22.942 731 2HB TYR 649 HB3 TYR 649 -1.322 10.986 22.319 732 HD1 TYR 649 HD1 TYR 649 -2.395 12.650 21.123 733 HD2 TYR 649 HD2 TYR 649 -4.081 8.681 21.169 734 HE1 TYR 649 HE1 TYR 649 -4.412 13.494 19.955 735 HE2 TYR 649 HE2 TYR 649 -6.149 9.549 20.090 736 HH TYR 649 HH TYR 649 -7.279 11.403 19.385 737 H TYR 650 H TYR 650 -0.345 11.097 19.770 738 HA TYR 650 HA TYR 650 -1.431 10.489 17.240 739 1HB TYR 650 HB2 TYR 650 -0.443 12.613 17.368 740 2HB TYR 650 HB3 TYR 650 0.952 12.038 18.268 741 HD1 TYR 650 HD1 TYR 650 -0.620 12.077 14.873 742 HD2 TYR 650 HD2 TYR 650 2.964 11.374 17.186 743 HE1 TYR 650 HE1 TYR 650 0.634 11.591 12.813 744 HE2 TYR 650 HE2 TYR 650 4.188 10.779 15.105 745 HH TYR 650 HH TYR 650 2.583 10.739 11.909 746 H HIS 651 H HIS 651 1.791 9.372 18.492 747 HA HIS 651 HA HIS 651 2.508 8.048 16.094 748 1HB HIS 651 HB2 HIS 651 4.088 8.693 17.868 749 2HB HIS 651 HB3 HIS 651 3.386 7.490 18.954 750 HD1 HIS 651 HD1 HIS 651 5.146 7.474 15.466 751 HD2 HIS 651 HD2 HIS 651 4.553 5.161 18.933 752 HE1 HIS 651 HE1 HIS 651 6.551 5.371 15.167 753 H LEU 652 H LEU 652 0.846 6.748 18.985 754 HA LEU 652 HA LEU 652 0.614 4.040 18.089 755 1HB LEU 652 HB2 LEU 652 -0.935 5.788 20.038 756 2HB LEU 652 HB3 LEU 652 -1.366 4.112 19.768 757 HG LEU 652 HG LEU 652 1.413 4.947 20.690 758 1HD1 LEU 652 HD11 LEU 652 -0.280 5.590 22.355 759 2HD1 LEU 652 HD12 LEU 652 -0.980 3.960 22.297 760 3HD1 LEU 652 HD13 LEU 652 0.667 4.208 22.929 761 1HD2 LEU 652 HD21 LEU 652 -0.032 2.262 20.688 762 2HD2 LEU 652 HD22 LEU 652 1.348 2.711 19.650 763 3HD2 LEU 652 HD23 LEU 652 1.565 2.581 21.395 764 H LEU 653 H LEU 653 -1.611 6.841 17.620 765 HA LEU 653 HA LEU 653 -3.596 5.448 16.093 766 1HB LEU 653 HB2 LEU 653 -2.582 8.318 15.883 767 2HB LEU 653 HB3 LEU 653 -3.976 7.713 15.025 768 HG LEU 653 HG LEU 653 -3.758 7.834 18.060 769 1HD1 LEU 653 HD11 LEU 653 -3.770 10.061 17.147 770 2HD1 LEU 653 HD12 LEU 653 -5.051 9.649 15.981 771 3HD1 LEU 653 HD13 LEU 653 -5.414 9.728 17.709 772 1HD2 LEU 653 HD21 LEU 653 -5.382 6.116 17.171 773 2HD2 LEU 653 HD22 LEU 653 -6.080 7.431 18.122 774 3HD2 LEU 653 HD23 LEU 653 -6.227 7.444 16.349 775 H ALA 654 H ALA 654 -0.694 7.237 14.933 776 HA ALA 654 HA ALA 654 -1.120 6.636 12.201 777 1HB ALA 654 HB1 ALA 654 1.475 7.335 13.675 778 2HB ALA 654 HB2 ALA 654 1.197 7.488 11.928 779 3HB ALA 654 HB3 ALA 654 0.295 8.508 13.061 780 H GLU 655 H GLU 655 0.706 4.759 14.664 781 HA GLU 655 HA GLU 655 1.785 2.808 12.861 782 1HB GLU 655 HB2 GLU 655 2.511 3.138 15.231 783 2HB GLU 655 HB3 GLU 655 0.964 2.481 15.782 784 1HG GLU 655 HG2 GLU 655 1.528 0.335 14.531 785 2HG GLU 655 HG3 GLU 655 3.110 1.024 14.174 786 H LYS 656 H LYS 656 -1.335 2.744 14.733 787 HA LYS 656 HA LYS 656 -2.121 0.173 13.591 788 1HB LYS 656 HB2 LYS 656 -3.537 2.311 15.210 789 2HB LYS 656 HB3 LYS 656 -4.468 1.023 14.441 790 1HG LYS 656 HG2 LYS 656 -3.889 0.553 16.798 791 2HG LYS 656 HG3 LYS 656 -3.420 -0.681 15.629 792 1HD LYS 656 HD2 LYS 656 -1.151 -0.146 15.719 793 2HD LYS 656 HD3 LYS 656 -1.455 1.317 16.707 794 1HE LYS 656 HE2 LYS 656 -2.490 -0.343 18.422 795 2HE LYS 656 HE3 LYS 656 -1.679 -1.607 17.483 796 1HZ LYS 656 HZ1 LYS 656 -0.358 0.680 18.836 797 2HZ LYS 656 HZ2 LYS 656 -0.240 -0.893 19.269 798 3HZ LYS 656 HZ3 LYS 656 0.440 -0.360 17.873 799 H ILE 657 H ILE 657 -2.587 3.516 12.557 800 HA ILE 657 HA ILE 657 -4.293 2.970 10.309 801 HB ILE 657 HB ILE 657 -2.375 5.142 11.124 802 1HG1 ILE 657 HG12 ILE 657 -4.771 4.714 12.030 803 2HG1 ILE 657 HG13 ILE 657 -4.315 6.341 11.598 804 1HG2 ILE 657 HG21 ILE 657 -3.124 6.520 9.155 805 2HG2 ILE 657 HG22 ILE 657 -1.952 5.252 8.796 806 3HG2 ILE 657 HG23 ILE 657 -3.660 5.011 8.378 807 1HD1 ILE 657 HD11 ILE 657 -6.614 5.407 10.797 808 2HD1 ILE 657 HD12 ILE 657 -5.616 6.366 9.688 809 3HD1 ILE 657 HD13 ILE 657 -5.692 4.584 9.549 810 H TYR 658 H TYR 658 -0.689 3.120 10.478 811 HA TYR 658 HA TYR 658 -0.195 2.231 7.819 812 1HB TYR 658 HB2 TYR 658 1.468 3.223 9.366 813 2HB TYR 658 HB3 TYR 658 1.400 1.799 10.371 814 HD1 TYR 658 HD1 TYR 658 2.781 3.246 7.267 815 HD2 TYR 658 HD2 TYR 658 2.333 -0.389 9.588 816 HE1 TYR 658 HE1 TYR 658 4.756 2.300 6.196 817 HE2 TYR 658 HE2 TYR 658 4.297 -1.361 8.424 818 HH TYR 658 HH TYR 658 5.975 -1.011 6.901 819 H LYS 659 H LYS 659 -0.525 0.309 10.834 820 HA LYS 659 HA LYS 659 -0.229 -2.288 9.849 821 1HB LYS 659 HB2 LYS 659 -0.446 -1.722 12.242 822 2HB LYS 659 HB3 LYS 659 -2.102 -1.214 11.984 823 1HG LYS 659 HG2 LYS 659 -2.254 -3.269 13.037 824 2HG LYS 659 HG3 LYS 659 -2.748 -3.554 11.384 825 1HD LYS 659 HD2 LYS 659 0.140 -3.999 11.652 826 2HD LYS 659 HD3 LYS 659 -0.719 -4.818 12.940 827 1HE LYS 659 HE2 LYS 659 -0.762 -6.487 11.360 828 2HE LYS 659 HE3 LYS 659 -2.312 -5.710 11.029 829 1HZ LYS 659 HZ1 LYS 659 0.205 -5.228 9.521 830 2HZ LYS 659 HZ2 LYS 659 -1.044 -6.157 9.020 831 3HZ LYS 659 HZ3 LYS 659 -1.256 -4.538 9.175 832 H ILE 660 H ILE 660 -3.346 -0.533 10.106 833 HA ILE 660 HA ILE 660 -4.964 -2.491 8.792 834 HB ILE 660 HB ILE 660 -5.255 0.494 9.232 835 1HG1 ILE 660 HG12 ILE 660 -6.770 -1.813 10.538 836 2HG1 ILE 660 HG13 ILE 660 -5.246 -1.231 11.181 837 1HG2 ILE 660 HG21 ILE 660 -7.687 0.195 8.691 838 2HG2 ILE 660 HG22 ILE 660 -6.649 0.031 7.293 839 3HG2 ILE 660 HG23 ILE 660 -7.328 -1.424 8.067 840 1HD1 ILE 660 HD11 ILE 660 -6.898 -0.115 12.433 841 2HD1 ILE 660 HD12 ILE 660 -6.271 1.103 11.314 842 3HD1 ILE 660 HD13 ILE 660 -7.837 0.320 10.995 843 H GLN 661 H GLN 661 -3.435 0.488 7.443 844 HA GLN 661 HA GLN 661 -4.497 0.154 4.849 845 1HB GLN 661 HB2 GLN 661 -3.413 2.213 5.973 846 2HB GLN 661 HB3 GLN 661 -1.856 1.530 5.513 847 1HG GLN 661 HG2 GLN 661 -2.491 3.156 3.862 848 2HG GLN 661 HG3 GLN 661 -2.669 1.578 3.094 849 1HE2 GLN 661 HE22 GLN 661 -4.460 4.286 4.593 850 2HE2 GLN 661 HE21 GLN 661 -6.042 3.776 4.008 851 H LYS 662 H LYS 662 -1.305 -0.876 6.122 852 HA LYS 662 HA LYS 662 -0.399 -2.006 3.598 853 1HB LYS 662 HB2 LYS 662 0.576 -2.315 6.470 854 2HB LYS 662 HB3 LYS 662 1.469 -2.914 5.088 855 1HG LYS 662 HG2 LYS 662 0.722 0.026 5.267 856 2HG LYS 662 HG3 LYS 662 2.074 -0.622 6.167 857 1HD LYS 662 HD2 LYS 662 2.896 0.357 4.124 858 2HD LYS 662 HD3 LYS 662 3.199 -1.371 4.155 859 1HE LYS 662 HE2 LYS 662 2.567 -0.742 1.927 860 2HE LYS 662 HE3 LYS 662 1.301 -1.755 2.603 861 1HZ LYS 662 HZ1 LYS 662 0.378 0.186 1.453 862 2HZ LYS 662 HZ2 LYS 662 0.021 0.303 3.047 863 3HZ LYS 662 HZ3 LYS 662 1.221 1.214 2.408 864 H GLU 663 H GLU 663 -2.150 -3.373 6.316 865 HA GLU 663 HA GLU 663 -1.813 -6.136 5.589 866 1HB GLU 663 HB2 GLU 663 -2.790 -5.210 7.757 867 2HB GLU 663 HB3 GLU 663 -4.269 -4.879 6.885 868 1HG GLU 663 HG2 GLU 663 -4.475 -6.959 8.098 869 2HG GLU 663 HG3 GLU 663 -4.472 -7.322 6.376 870 H LEU 664 H LEU 664 -4.181 -3.680 4.518 871 HA LEU 664 HA LEU 664 -5.614 -5.675 2.878 872 1HB LEU 664 HB2 LEU 664 -6.133 -2.840 3.813 873 2HB LEU 664 HB3 LEU 664 -6.956 -3.455 2.385 874 HG LEU 664 HG LEU 664 -7.717 -5.449 3.720 875 1HD1 LEU 664 HD11 LEU 664 -7.906 -5.219 6.140 876 2HD1 LEU 664 HD12 LEU 664 -6.208 -5.296 5.685 877 3HD1 LEU 664 HD13 LEU 664 -6.943 -3.727 6.112 878 1HD2 LEU 664 HD21 LEU 664 -8.603 -2.661 4.536 879 2HD2 LEU 664 HD22 LEU 664 -9.197 -3.610 3.153 880 3HD2 LEU 664 HD23 LEU 664 -9.548 -4.143 4.806 881 H GLU 665 H GLU 665 -3.654 -2.716 2.236 882 HA GLU 665 HA GLU 665 -4.499 -2.303 -0.368 883 1HB GLU 665 HB2 GLU 665 -3.099 -0.768 0.948 884 2HB GLU 665 HB3 GLU 665 -1.704 -1.839 0.719 885 1HG GLU 665 HG2 GLU 665 -1.851 -1.459 -1.744 886 2HG GLU 665 HG3 GLU 665 -3.282 -0.444 -1.495 887 H GLU 666 H GLU 666 -1.773 -4.518 0.525 888 HA GLU 666 HA GLU 666 -1.160 -5.121 -2.215 889 1HB GLU 666 HB2 GLU 666 0.332 -5.434 -0.197 890 2HB GLU 666 HB3 GLU 666 -0.643 -6.834 0.265 891 1HG GLU 666 HG2 GLU 666 0.012 -7.999 -1.804 892 2HG GLU 666 HG3 GLU 666 0.854 -6.557 -2.381 893 H LYS 667 H LYS 667 -3.748 -6.286 -0.228 894 HA LYS 667 HA LYS 667 -4.365 -8.572 -2.048 895 1HB LYS 667 HB2 LYS 667 -5.838 -7.564 0.425 896 2HB LYS 667 HB3 LYS 667 -6.163 -9.051 -0.459 897 1HG LYS 667 HG2 LYS 667 -3.679 -8.421 1.186 898 2HG LYS 667 HG3 LYS 667 -4.972 -9.561 1.561 899 1HD LYS 667 HD2 LYS 667 -4.323 -10.857 -0.543 900 2HD LYS 667 HD3 LYS 667 -2.951 -9.762 -0.719 901 1HE LYS 667 HE2 LYS 667 -2.124 -11.728 0.324 902 2HE LYS 667 HE3 LYS 667 -2.104 -10.432 1.521 903 1HZ LYS 667 HZ1 LYS 667 -4.137 -11.376 2.478 904 2HZ LYS 667 HZ2 LYS 667 -4.195 -12.545 1.333 905 3HZ LYS 667 HZ3 LYS 667 -2.982 -12.524 2.424 906 H ARG 668 H ARG 668 -5.026 -5.260 -1.898 907 HA ARG 668 HA ARG 668 -7.580 -5.483 -3.489 908 1HB ARG 668 HB2 ARG 668 -6.754 -3.405 -1.424 909 2HB ARG 668 HB3 ARG 668 -8.269 -3.406 -2.295 910 1HG ARG 668 HG2 ARG 668 -7.448 -5.559 -0.290 911 2HG ARG 668 HG3 ARG 668 -8.393 -4.140 0.078 912 1HD ARG 668 HD2 ARG 668 -9.948 -5.870 -0.109 913 2HD ARG 668 HD3 ARG 668 -10.119 -4.953 -1.610 914 HE ARG 668 HE ARG 668 -8.232 -6.993 -2.098 915 1HH1 ARG 668 HH11 ARG 668 -11.658 -7.052 -1.286 916 2HH1 ARG 668 HH12 ARG 668 -11.869 -8.570 -2.126 917 1HH2 ARG 668 HH22 ARG 668 -8.553 -8.834 -3.046 918 2HH2 ARG 668 HH21 ARG 668 -10.133 -9.584 -3.086 919 H ARG 669 H ARG 669 -4.396 -4.303 -3.613 920 HA ARG 669 HA ARG 669 -4.974 -2.632 -6.029 921 1HB ARG 669 HB2 ARG 669 -4.553 -1.500 -3.664 922 2HB ARG 669 HB3 ARG 669 -2.869 -1.929 -3.962 923 1HG ARG 669 HG2 ARG 669 -2.983 -0.588 -6.104 924 2HG ARG 669 HG3 ARG 669 -4.654 -0.160 -5.698 925 1HD ARG 669 HD2 ARG 669 -3.859 0.888 -3.586 926 2HD ARG 669 HD3 ARG 669 -2.192 0.441 -3.997 927 HE ARG 669 HE ARG 669 -3.413 1.979 -6.113 928 1HH1 ARG 669 HH22 ARG 669 -1.952 2.465 -2.920 929 2HH1 ARG 669 HH21 ARG 669 -1.494 4.098 -3.329 930 1HH2 ARG 669 HH11 ARG 669 -2.776 4.066 -6.506 931 2HH2 ARG 669 HH12 ARG 669 -1.941 4.968 -5.279 932 H SER 670 H SER 670 -3.878 -5.467 -5.589 933 HA SER 670 HA SER 670 -1.125 -5.698 -5.813 934 1HB SER 670 HB2 SER 670 -1.621 -7.949 -6.747 935 2HB SER 670 HB3 SER 670 -2.567 -7.559 -5.306 936 HG SER 670 HG SER 670 -3.865 -8.477 -6.965 937 H ARG 671 H ARG 671 -3.334 -4.958 -8.438 938 HA ARG 671 HA ARG 671 -1.579 -5.459 -10.656 939 1HB ARG 671 HB2 ARG 671 -3.179 -4.137 -11.947 940 2HB ARG 671 HB3 ARG 671 -4.001 -5.295 -10.905 941 1HG ARG 671 HG2 ARG 671 -4.597 -3.523 -9.311 942 2HG ARG 671 HG3 ARG 671 -3.644 -2.334 -10.221 943 1HD ARG 671 HD2 ARG 671 -5.098 -2.660 -12.181 944 2HD ARG 671 HD3 ARG 671 -6.072 -3.830 -11.277 945 HE ARG 671 HE ARG 671 -6.392 -1.842 -9.602 946 1HH1 ARG 671 HH22 ARG 671 -6.363 -1.420 -13.092 947 2HH1 ARG 671 HH21 ARG 671 -7.224 0.091 -12.986 948 1HH2 ARG 671 HH12 ARG 671 -7.451 -0.016 -9.544 949 2HH2 ARG 671 HH11 ARG 671 -7.866 0.872 -10.998 950 H LEU 672 H LEU 672 -1.336 -2.945 -8.354 951 HA LEU 672 HA LEU 672 -0.114 -1.000 -10.232 952 1HB LEU 672 HB2 LEU 672 -2.037 -0.471 -8.632 953 2HB LEU 672 HB3 LEU 672 -0.903 -0.662 -7.313 954 HG LEU 672 HG LEU 672 -1.355 1.655 -7.815 955 1HD1 LEU 672 HD11 LEU 672 1.499 1.105 -8.676 956 2HD1 LEU 672 HD12 LEU 672 0.852 2.565 -7.909 957 3HD1 LEU 672 HD13 LEU 672 0.921 1.047 -6.994 958 1HD2 LEU 672 HD21 LEU 672 -0.108 1.225 -10.555 959 2HD2 LEU 672 HD22 LEU 672 -1.844 1.432 -10.230 960 3HD2 LEU 672 HD23 LEU 672 -0.712 2.749 -9.878 961 1H SER 839 H1 SER 839 -13.093 -16.986 25.122 962 2H SER 839 H2 SER 839 -13.480 -15.406 25.285 963 3H SER 839 H3 SER 839 -14.278 -16.340 24.196 964 HA SER 839 HA SER 839 -12.282 -16.655 22.908 965 1HB SER 839 HB2 SER 839 -13.808 -14.735 22.385 966 2HB SER 839 HB3 SER 839 -12.777 -13.692 23.388 967 HG SER 839 HG SER 839 -12.180 -13.632 21.173 968 H ASP 840 H ASP 840 -10.098 -16.323 22.597 969 HA ASP 840 HA ASP 840 -8.463 -15.185 24.829 970 1HB ASP 840 HB2 ASP 840 -8.251 -17.971 23.614 971 2HB ASP 840 HB3 ASP 840 -7.035 -17.256 24.665 972 H ALA 841 H ALA 841 -9.119 -14.668 21.750 973 HA ALA 841 HA ALA 841 -6.382 -13.862 21.000 974 1HB ALA 841 HB1 ALA 841 -6.532 -15.017 18.816 975 2HB ALA 841 HB2 ALA 841 -6.590 -16.181 20.150 976 3HB ALA 841 HB3 ALA 841 -8.084 -15.739 19.293 977 H GLY 842 H GLY 842 -6.342 -12.499 19.065 978 1HA GLY 842 HA2 GLY 842 -8.541 -11.413 17.688 979 2HA GLY 842 HA3 GLY 842 -8.290 -10.401 19.113 980 H ASN 843 H ASN 843 -8.003 -8.970 17.031 981 HA ASN 843 HA ASN 843 -5.181 -8.288 16.944 982 1HB ASN 843 HB2 ASN 843 -4.711 -8.558 14.696 983 2HB ASN 843 HB3 ASN 843 -5.650 -10.005 15.000 984 1HD2 ASN 843 HD21 ASN 843 -8.056 -9.867 14.337 985 2HD2 ASN 843 HD22 ASN 843 -8.443 -8.756 13.015 986 H ILE 844 H ILE 844 -4.965 -6.219 15.399 987 HA ILE 844 HA ILE 844 -6.518 -4.144 16.565 988 HB ILE 844 HB ILE 844 -4.685 -4.247 14.155 989 1HG1 ILE 844 HG12 ILE 844 -3.598 -4.604 16.322 990 2HG1 ILE 844 HG13 ILE 844 -3.086 -3.100 15.589 991 1HG2 ILE 844 HG21 ILE 844 -6.117 -2.355 13.655 992 2HG2 ILE 844 HG22 ILE 844 -5.937 -1.715 15.290 993 3HG2 ILE 844 HG23 ILE 844 -4.535 -1.771 14.189 994 1HD1 ILE 844 HD11 ILE 844 -5.052 -3.383 17.914 995 2HD1 ILE 844 HD12 ILE 844 -3.395 -2.794 17.983 996 3HD1 ILE 844 HD13 ILE 844 -4.626 -1.839 17.139 997 H LEU 845 H LEU 845 -7.195 -5.979 13.668 998 HA LEU 845 HA LEU 845 -9.548 -4.259 13.007 999 1HB LEU 845 HB2 LEU 845 -7.718 -3.993 11.461 1000 2HB LEU 845 HB3 LEU 845 -7.550 -5.733 11.283 1001 HG LEU 845 HG LEU 845 -9.740 -5.839 10.149 1002 1HD1 LEU 845 HD11 LEU 845 -10.844 -3.800 11.039 1003 2HD1 LEU 845 HD12 LEU 845 -9.679 -2.802 10.144 1004 3HD1 LEU 845 HD13 LEU 845 -10.819 -3.828 9.259 1005 1HD2 LEU 845 HD21 LEU 845 -8.992 -4.772 8.063 1006 2HD2 LEU 845 HD22 LEU 845 -7.748 -3.877 8.961 1007 3HD2 LEU 845 HD23 LEU 845 -7.678 -5.651 8.862 1008 HA PRO 846 HA PRO 846 -11.345 -8.286 14.536 1009 1HB PRO 846 HB2 PRO 846 -13.641 -6.298 14.343 1010 2HB PRO 846 HB3 PRO 846 -13.397 -7.605 15.554 1011 1HG PRO 846 HG2 PRO 846 -12.782 -5.101 16.211 1012 2HG PRO 846 HG3 PRO 846 -11.555 -6.381 16.540 1013 1HD PRO 846 HD2 PRO 846 -11.772 -4.552 14.131 1014 2HD PRO 846 HD3 PRO 846 -10.353 -4.833 15.192 1015 H SER 847 H SER 847 -12.357 -9.893 13.338 1016 HA SER 847 HA SER 847 -12.312 -9.707 10.556 1017 1HB SER 847 HB2 SER 847 -13.441 -11.944 10.606 1018 2HB SER 847 HB3 SER 847 -11.996 -11.794 11.619 1019 HG SER 847 HG SER 847 -13.689 -12.825 12.753 1020 H ASP 848 H ASP 848 -15.211 -9.427 12.630 1021 HA ASP 848 HA ASP 848 -17.128 -9.394 10.505 1022 1HB ASP 848 HB2 ASP 848 -17.615 -9.781 12.922 1023 2HB ASP 848 HB3 ASP 848 -17.269 -8.083 13.252 1024 H ILE 849 H ILE 849 -15.237 -6.758 11.968 1025 HA ILE 849 HA ILE 849 -16.466 -4.642 10.327 1026 HB ILE 849 HB ILE 849 -14.223 -4.798 12.353 1027 1HG1 ILE 849 HG12 ILE 849 -15.373 -2.884 13.324 1028 2HG1 ILE 849 HG13 ILE 849 -16.462 -2.755 11.946 1029 1HG2 ILE 849 HG21 ILE 849 -13.593 -2.445 11.844 1030 2HG2 ILE 849 HG22 ILE 849 -13.129 -3.549 10.555 1031 3HG2 ILE 849 HG23 ILE 849 -14.574 -2.543 10.364 1032 1HD1 ILE 849 HD11 ILE 849 -17.582 -4.835 12.598 1033 2HD1 ILE 849 HD12 ILE 849 -16.408 -5.074 13.920 1034 3HD1 ILE 849 HD13 ILE 849 -17.539 -3.701 13.953 1035 H MET 850 H MET 850 -13.478 -6.599 10.267 1036 HA MET 850 HA MET 850 -12.162 -5.414 8.125 1037 1HB MET 850 HB2 MET 850 -11.278 -7.216 9.635 1038 2HB MET 850 HB3 MET 850 -12.239 -8.392 8.753 1039 1HG MET 850 HG2 MET 850 -11.004 -8.153 6.781 1040 2HG MET 850 HG3 MET 850 -10.287 -6.623 7.263 1041 1HE MET 850 HE1 MET 850 -10.169 -10.514 7.451 1042 2HE MET 850 HE2 MET 850 -8.993 -10.822 8.747 1043 3HE MET 850 HE3 MET 850 -10.588 -10.151 9.141 1044 H ASP 851 H ASP 851 -14.549 -8.106 7.918 1045 HA ASP 851 HA ASP 851 -14.438 -8.573 5.179 1046 1HB ASP 851 HB2 ASP 851 -15.620 -9.955 6.813 1047 2HB ASP 851 HB3 ASP 851 -16.827 -8.695 7.063 1048 H PHE 852 H PHE 852 -16.305 -5.951 6.771 1049 HA PHE 852 HA PHE 852 -17.652 -5.050 4.380 1050 1HB PHE 852 HB2 PHE 852 -18.399 -4.479 6.656 1051 2HB PHE 852 HB3 PHE 852 -16.918 -3.578 6.940 1052 HD1 PHE 852 HD1 PHE 852 -16.898 -1.252 6.543 1053 HD2 PHE 852 HD2 PHE 852 -19.850 -3.706 4.576 1054 HE1 PHE 852 HE1 PHE 852 -18.002 0.784 5.652 1055 HE2 PHE 852 HE2 PHE 852 -20.949 -1.661 3.681 1056 HZ PHE 852 HZ PHE 852 -20.028 0.584 4.224 1057 H VAL 853 H VAL 853 -14.508 -4.170 5.868 1058 HA VAL 853 HA VAL 853 -13.890 -2.128 3.882 1059 HB VAL 853 HB VAL 853 -11.902 -3.582 5.705 1060 1HG1 VAL 853 HG11 VAL 853 -10.984 -2.133 3.806 1061 2HG1 VAL 853 HG12 VAL 853 -11.849 -0.759 4.493 1062 3HG1 VAL 853 HG13 VAL 853 -10.564 -1.557 5.423 1063 1HG2 VAL 853 HG21 VAL 853 -12.140 -1.699 7.243 1064 2HG2 VAL 853 HG22 VAL 853 -13.505 -1.071 6.289 1065 3HG2 VAL 853 HG23 VAL 853 -13.632 -2.630 7.136 1066 H LEU 854 H LEU 854 -12.972 -5.605 4.243 1067 HA LEU 854 HA LEU 854 -11.292 -5.770 1.952 1068 1HB LEU 854 HB2 LEU 854 -13.143 -7.949 3.021 1069 2HB LEU 854 HB3 LEU 854 -11.800 -8.175 1.912 1070 HG LEU 854 HG LEU 854 -11.657 -7.474 4.840 1071 1HD1 LEU 854 HD11 LEU 854 -10.635 -9.849 3.253 1072 2HD1 LEU 854 HD12 LEU 854 -10.461 -9.609 5.002 1073 3HD1 LEU 854 HD13 LEU 854 -12.073 -9.832 4.299 1074 1HD2 LEU 854 HD21 LEU 854 -9.308 -7.725 2.947 1075 2HD2 LEU 854 HD22 LEU 854 -9.902 -6.219 3.687 1076 3HD2 LEU 854 HD23 LEU 854 -9.256 -7.493 4.720 1077 H LYS 855 H LYS 855 -14.845 -6.228 2.170 1078 HA LYS 855 HA LYS 855 -15.218 -7.023 -0.552 1079 1HB LYS 855 HB2 LYS 855 -16.752 -7.452 1.326 1080 2HB LYS 855 HB3 LYS 855 -17.181 -5.740 1.368 1081 1HG LYS 855 HG2 LYS 855 -18.808 -7.140 0.197 1082 2HG LYS 855 HG3 LYS 855 -18.163 -5.886 -0.863 1083 1HD LYS 855 HD2 LYS 855 -16.793 -7.594 -2.026 1084 2HD LYS 855 HD3 LYS 855 -17.243 -8.799 -0.805 1085 1HE LYS 855 HE2 LYS 855 -18.606 -9.251 -2.677 1086 2HE LYS 855 HE3 LYS 855 -19.655 -8.503 -1.479 1087 1HZ LYS 855 HZ1 LYS 855 -18.461 -7.112 -3.825 1088 2HZ LYS 855 HZ2 LYS 855 -20.022 -7.562 -3.688 1089 3HZ LYS 855 HZ3 LYS 855 -19.427 -6.396 -2.717 1090 H ASN 856 H ASN 856 -15.359 -3.819 0.967 1091 HA ASN 856 HA ASN 856 -16.335 -2.480 -1.433 1092 1HB ASN 856 HB2 ASN 856 -15.466 -1.630 1.351 1093 2HB ASN 856 HB3 ASN 856 -15.721 -0.464 0.069 1094 1HD2 ASN 856 HD22 ASN 856 -17.331 -2.494 2.353 1095 2HD2 ASN 856 HD21 ASN 856 -18.957 -2.004 1.887 1096 H THR 857 H THR 857 -13.084 -2.805 0.017 1097 HA THR 857 HA THR 857 -12.059 -0.570 -1.483 1098 HB THR 857 HB THR 857 -9.874 -1.158 -0.428 1099 HG1 THR 857 HG1 THR 857 -11.364 -2.985 1.098 1100 1HG2 THR 857 HG21 THR 857 -11.383 0.427 0.622 1101 2HG2 THR 857 HG22 THR 857 -12.315 -0.868 1.383 1102 3HG2 THR 857 HG23 THR 857 -10.621 -0.589 1.858 1103 HA PRO 858 HA PRO 858 -9.555 -3.719 -4.072 1104 1HB PRO 858 HB2 PRO 858 -11.012 -5.343 -5.731 1105 2HB PRO 858 HB3 PRO 858 -10.432 -5.819 -4.112 1106 1HG PRO 858 HG2 PRO 858 -13.174 -4.839 -4.907 1107 2HG PRO 858 HG3 PRO 858 -12.750 -6.181 -3.802 1108 1HD PRO 858 HD2 PRO 858 -13.460 -3.681 -2.974 1109 2HD PRO 858 HD3 PRO 858 -12.331 -4.699 -2.035 1110 H SER 859 H SER 859 -8.754 -2.455 -5.623 1111 HA SER 859 HA SER 859 -10.393 -0.487 -6.933 1112 1HB SER 859 HB2 SER 859 -8.420 0.385 -7.854 1113 2HB SER 859 HB3 SER 859 -7.991 -0.196 -6.244 1114 HG SER 859 HG SER 859 -7.005 -1.975 -7.152 1115 H MET 860 H MET 860 -9.484 -3.672 -7.942 1116 HA MET 860 HA MET 860 -11.194 -3.534 -10.304 1117 1HB MET 860 HB2 MET 860 -9.036 -2.687 -11.196 1118 2HB MET 860 HB3 MET 860 -8.209 -4.119 -10.565 1119 1HG MET 860 HG2 MET 860 -9.530 -5.544 -12.079 1120 2HG MET 860 HG3 MET 860 -10.390 -4.123 -12.687 1121 1HE MET 860 HE1 MET 860 -9.794 -5.099 -15.124 1122 2HE MET 860 HE2 MET 860 -8.135 -5.473 -15.643 1123 3HE MET 860 HE3 MET 860 -8.898 -6.426 -14.352 1124 H GLN 861 H GLN 861 -12.034 -5.576 -10.768 1125 HA GLN 861 HA GLN 861 -11.377 -7.858 -9.023 1126 1HB GLN 861 HB2 GLN 861 -13.293 -7.565 -11.380 1127 2HB GLN 861 HB3 GLN 861 -13.097 -9.020 -10.392 1128 1HG GLN 861 HG2 GLN 861 -13.788 -7.728 -8.365 1129 2HG GLN 861 HG3 GLN 861 -14.025 -6.301 -9.374 1130 1HE2 GLN 861 HE22 GLN 861 -16.298 -6.134 -8.925 1131 2HE2 GLN 861 HE21 GLN 861 -17.427 -7.332 -9.543 1132 H ALA 862 H ALA 862 -10.049 -9.529 -9.521 1133 HA ALA 862 HA ALA 862 -9.322 -10.225 -12.275 1134 1HB ALA 862 HB1 ALA 862 -6.888 -9.951 -11.868 1135 2HB ALA 862 HB2 ALA 862 -7.726 -8.394 -11.755 1136 3HB ALA 862 HB3 ALA 862 -7.228 -9.244 -10.274 1137 H LEU 863 H LEU 863 -7.998 -12.188 -12.364 1138 HA LEU 863 HA LEU 863 -8.076 -13.953 -9.952 1139 1HB LEU 863 HB2 LEU 863 -8.922 -14.649 -12.806 1140 2HB LEU 863 HB3 LEU 863 -8.553 -15.833 -11.578 1141 HG LEU 863 HG LEU 863 -10.856 -15.777 -11.769 1142 1HD1 LEU 863 HD11 LEU 863 -10.242 -14.198 -9.246 1143 2HD1 LEU 863 HD12 LEU 863 -11.644 -15.239 -9.543 1144 3HD1 LEU 863 HD13 LEU 863 -10.024 -15.952 -9.455 1145 1HD2 LEU 863 HD21 LEU 863 -11.093 -13.501 -12.798 1146 2HD2 LEU 863 HD22 LEU 863 -12.332 -13.943 -11.612 1147 3HD2 LEU 863 HD23 LEU 863 -11.050 -12.820 -11.153 1148 H GLY 864 H GLY 864 -6.352 -15.288 -9.703 1149 1HA GLY 864 HA2 GLY 864 -4.605 -16.445 -11.407 1150 2HA GLY 864 HA3 GLY 864 -3.913 -14.827 -11.287 1151 H GLU 865 H GLU 865 -2.363 -16.853 -10.537 1152 HA GLU 865 HA GLU 865 -1.928 -16.407 -7.643 1153 1HB GLU 865 HB2 GLU 865 -2.145 -19.154 -8.954 1154 2HB GLU 865 HB3 GLU 865 -1.369 -18.890 -7.405 1155 1HG GLU 865 HG2 GLU 865 -4.305 -18.386 -8.028 1156 2HG GLU 865 HG3 GLU 865 -3.641 -19.765 -7.172 1157 H SER 866 H SER 866 0.257 -16.888 -6.982 1158 HA SER 866 HA SER 866 2.290 -16.178 -8.853 1159 1HB SER 866 HB2 SER 866 2.545 -17.483 -6.117 1160 2HB SER 866 HB3 SER 866 3.845 -16.671 -7.007 1161 HG SER 866 HG SER 866 2.824 -15.301 -5.443 1162 HA PRO 867 HA PRO 867 3.684 -20.086 -10.630 1163 1HB PRO 867 HB2 PRO 867 6.435 -19.133 -9.819 1164 2HB PRO 867 HB3 PRO 867 5.899 -19.834 -11.378 1165 1HG PRO 867 HG2 PRO 867 6.237 -17.159 -11.132 1166 2HG PRO 867 HG3 PRO 867 4.803 -17.803 -11.996 1167 1HD PRO 867 HD2 PRO 867 4.981 -16.766 -9.160 1168 2HD PRO 867 HD3 PRO 867 3.729 -16.471 -10.405 1169 H GLU 868 H GLU 868 4.149 -22.157 -9.933 1170 HA GLU 868 HA GLU 868 4.333 -22.560 -7.012 1171 1HB GLU 868 HB2 GLU 868 3.740 -24.485 -9.291 1172 2HB GLU 868 HB3 GLU 868 3.684 -24.883 -7.569 1173 1HG GLU 868 HG2 GLU 868 1.942 -23.119 -7.233 1174 2HG GLU 868 HG3 GLU 868 1.917 -22.838 -8.976 1175 H SER 869 H SER 869 6.594 -22.565 -9.519 1176 HA SER 869 HA SER 869 8.596 -24.153 -7.969 1177 1HB SER 869 HB2 SER 869 8.041 -24.428 -10.951 1178 2HB SER 869 HB3 SER 869 9.429 -25.121 -10.095 1179 HG SER 869 HG SER 869 7.700 -26.645 -10.296 Start of MODEL 10 1 1H LYS 291 H1 LYS 291 11.837 3.481 0.632 2 2H LYS 291 H2 LYS 291 12.787 2.739 1.736 3 3H LYS 291 H3 LYS 291 12.105 1.876 0.520 4 HA LYS 291 HA LYS 291 9.871 2.362 1.373 5 1HB LYS 291 HB2 LYS 291 9.774 0.808 3.113 6 2HB LYS 291 HB3 LYS 291 10.837 0.218 1.837 7 1HG LYS 291 HG2 LYS 291 12.824 0.847 3.244 8 2HG LYS 291 HG3 LYS 291 11.698 1.391 4.507 9 1HD LYS 291 HD2 LYS 291 10.687 -1.010 4.347 10 2HD LYS 291 HD3 LYS 291 12.211 -1.448 3.551 11 1HE LYS 291 HE2 LYS 291 11.990 0.100 6.148 12 2HE LYS 291 HE3 LYS 291 12.058 -1.677 6.136 13 1HZ LYS 291 HZ1 LYS 291 14.267 -0.738 6.489 14 2HZ LYS 291 HZ2 LYS 291 14.242 -1.526 5.063 15 3HZ LYS 291 HZ3 LYS 291 14.203 0.109 5.097 16 H GLU 292 H GLU 292 12.363 3.465 3.651 17 HA GLU 292 HA GLU 292 10.792 4.360 5.723 18 1HB GLU 292 HB2 GLU 292 12.748 5.780 6.299 19 2HB GLU 292 HB3 GLU 292 13.105 4.087 6.020 20 1HG GLU 292 HG2 GLU 292 13.509 6.078 3.766 21 2HG GLU 292 HG3 GLU 292 14.662 5.995 5.083 22 H LYS 293 H LYS 293 11.420 6.202 2.744 23 HA LYS 293 HA LYS 293 10.443 8.734 3.608 24 1HB LYS 293 HB2 LYS 293 11.650 8.295 1.471 25 2HB LYS 293 HB3 LYS 293 10.211 7.479 0.836 26 1HG LYS 293 HG2 LYS 293 8.918 9.580 1.016 27 2HG LYS 293 HG3 LYS 293 10.276 10.370 1.823 28 1HD LYS 293 HD2 LYS 293 10.194 11.112 -0.459 29 2HD LYS 293 HD3 LYS 293 11.645 10.124 -0.240 30 1HE LYS 293 HE2 LYS 293 10.486 8.188 -1.282 31 2HE LYS 293 HE3 LYS 293 9.010 9.150 -1.445 32 1HZ LYS 293 HZ1 LYS 293 10.227 10.645 -2.934 33 2HZ LYS 293 HZ2 LYS 293 11.596 9.767 -2.778 34 3HZ LYS 293 HZ3 LYS 293 10.288 9.122 -3.512 35 H ARG 294 H ARG 294 8.539 6.002 2.231 36 HA ARG 294 HA ARG 294 6.013 7.423 2.511 37 1HB ARG 294 HB2 ARG 294 6.339 5.513 0.932 38 2HB ARG 294 HB3 ARG 294 6.523 4.416 2.311 39 1HG ARG 294 HG2 ARG 294 4.207 5.035 3.068 40 2HG ARG 294 HG3 ARG 294 4.033 6.073 1.656 41 1HD ARG 294 HD2 ARG 294 4.627 3.089 1.506 42 2HD ARG 294 HD3 ARG 294 2.987 3.715 1.607 43 HE ARG 294 HE ARG 294 4.819 3.790 -0.699 44 1HH1 ARG 294 HH21 ARG 294 1.882 5.226 0.568 45 2HH1 ARG 294 HH22 ARG 294 1.350 5.741 -1.010 46 1HH2 ARG 294 HH11 ARG 294 4.083 4.486 -2.673 47 2HH2 ARG 294 HH12 ARG 294 2.565 5.328 -2.788 48 H ILE 295 H ILE 295 7.878 5.291 4.675 49 HA ILE 295 HA ILE 295 5.830 4.922 6.638 50 HB ILE 295 HB ILE 295 8.808 5.099 7.222 51 1HG1 ILE 295 HG12 ILE 295 8.673 3.495 5.476 52 2HG1 ILE 295 HG13 ILE 295 8.838 2.612 6.977 53 1HG2 ILE 295 HG21 ILE 295 7.425 5.100 9.235 54 2HG2 ILE 295 HG22 ILE 295 6.523 3.685 8.663 55 3HG2 ILE 295 HG23 ILE 295 8.246 3.548 9.074 56 1HD1 ILE 295 HD11 ILE 295 6.367 2.131 6.916 57 2HD1 ILE 295 HD12 ILE 295 6.282 2.993 5.359 58 3HD1 ILE 295 HD13 ILE 295 7.243 1.514 5.490 59 H LYS 296 H LYS 296 8.431 7.408 6.474 60 HA LYS 296 HA LYS 296 7.388 9.000 8.640 61 1HB LYS 296 HB2 LYS 296 9.733 9.082 7.833 62 2HB LYS 296 HB3 LYS 296 9.196 9.763 6.303 63 1HG LYS 296 HG2 LYS 296 10.135 11.467 7.817 64 2HG LYS 296 HG3 LYS 296 8.476 11.812 7.370 65 1HD LYS 296 HD2 LYS 296 8.917 12.328 9.741 66 2HD LYS 296 HD3 LYS 296 7.654 11.131 9.550 67 1HE LYS 296 HE2 LYS 296 8.993 10.438 11.387 68 2HE LYS 296 HE3 LYS 296 9.305 9.314 10.069 69 1HZ LYS 296 HZ1 LYS 296 11.358 10.021 11.165 70 2HZ LYS 296 HZ2 LYS 296 11.380 10.546 9.621 71 3HZ LYS 296 HZ3 LYS 296 11.064 11.590 10.840 72 H GLU 297 H GLU 297 6.831 9.171 5.109 73 HA GLU 297 HA GLU 297 5.215 11.471 4.993 74 1HB GLU 297 HB2 GLU 297 6.074 10.121 3.053 75 2HB GLU 297 HB3 GLU 297 4.878 8.891 3.429 76 1HG GLU 297 HG2 GLU 297 3.071 10.598 3.037 77 2HG GLU 297 HG3 GLU 297 4.349 11.739 2.593 78 H LEU 298 H LEU 298 3.989 8.070 5.428 79 HA LEU 298 HA LEU 298 1.314 8.990 5.912 80 1HB LEU 298 HB2 LEU 298 1.772 6.805 5.009 81 2HB LEU 298 HB3 LEU 298 2.585 6.260 6.472 82 HG LEU 298 HG LEU 298 -0.250 7.389 6.686 83 1HD1 LEU 298 HD11 LEU 298 -1.301 5.276 6.153 84 2HD1 LEU 298 HD12 LEU 298 -0.408 5.888 4.757 85 3HD1 LEU 298 HD13 LEU 298 0.285 4.571 5.726 86 1HD2 LEU 298 HD21 LEU 298 1.288 5.180 8.085 87 2HD2 LEU 298 HD22 LEU 298 0.747 6.700 8.793 88 3HD2 LEU 298 HD23 LEU 298 -0.439 5.484 8.363 89 H GLU 299 H GLU 299 3.982 8.192 8.198 90 HA GLU 299 HA GLU 299 2.438 8.508 10.563 91 1HB GLU 299 HB2 GLU 299 4.735 7.570 10.425 92 2HB GLU 299 HB3 GLU 299 5.365 9.206 10.143 93 1HG GLU 299 HG2 GLU 299 4.480 9.918 12.352 94 2HG GLU 299 HG3 GLU 299 3.775 8.322 12.593 95 H LEU 300 H LEU 300 4.135 10.958 8.580 96 HA LEU 300 HA LEU 300 3.459 13.209 10.200 97 1HB LEU 300 HB2 LEU 300 5.352 13.102 8.643 98 2HB LEU 300 HB3 LEU 300 4.247 12.995 7.274 99 HG LEU 300 HG LEU 300 3.449 15.284 7.693 100 1HD1 LEU 300 HD11 LEU 300 3.689 15.486 10.125 101 2HD1 LEU 300 HD12 LEU 300 5.452 15.280 10.000 102 3HD1 LEU 300 HD13 LEU 300 4.661 16.728 9.338 103 1HD2 LEU 300 HD21 LEU 300 5.525 16.450 7.099 104 2HD2 LEU 300 HD22 LEU 300 6.488 15.070 7.673 105 3HD2 LEU 300 HD23 LEU 300 5.424 14.893 6.261 106 H LEU 301 H LEU 301 1.602 11.584 7.608 107 HA LEU 301 HA LEU 301 -0.244 13.625 6.998 108 1HB LEU 301 HB2 LEU 301 -0.720 10.627 7.256 109 2HB LEU 301 HB3 LEU 301 -1.936 11.741 6.696 110 HG LEU 301 HG LEU 301 0.694 11.212 5.270 111 1HD1 LEU 301 HD11 LEU 301 -0.726 10.075 3.624 112 2HD1 LEU 301 HD12 LEU 301 -0.931 9.325 5.214 113 3HD1 LEU 301 HD13 LEU 301 -2.174 10.423 4.594 114 1HD2 LEU 301 HD21 LEU 301 -0.061 13.498 4.798 115 2HD2 LEU 301 HD22 LEU 301 -0.354 12.464 3.398 116 3HD2 LEU 301 HD23 LEU 301 -1.707 12.907 4.462 117 H LEU 302 H LEU 302 -0.342 11.442 9.831 118 HA LEU 302 HA LEU 302 -2.740 12.780 10.901 119 1HB LEU 302 HB2 LEU 302 -0.902 10.578 11.802 120 2HB LEU 302 HB3 LEU 302 -1.822 11.416 13.036 121 HG LEU 302 HG LEU 302 -3.157 10.123 10.654 122 1HD1 LEU 302 HD11 LEU 302 -2.502 9.220 13.497 123 2HD1 LEU 302 HD12 LEU 302 -3.778 8.461 12.543 124 3HD1 LEU 302 HD13 LEU 302 -2.113 8.455 11.932 125 1HD2 LEU 302 HD21 LEU 302 -4.268 10.981 13.352 126 2HD2 LEU 302 HD22 LEU 302 -4.509 11.912 11.848 127 3HD2 LEU 302 HD23 LEU 302 -5.171 10.274 12.003 128 H MET 303 H MET 303 0.799 12.877 11.661 129 HA MET 303 HA MET 303 0.433 14.511 13.932 130 1HB MET 303 HB2 MET 303 2.873 14.212 12.160 131 2HB MET 303 HB3 MET 303 2.859 15.068 13.710 132 1HG MET 303 HG2 MET 303 1.963 12.998 14.797 133 2HG MET 303 HG3 MET 303 2.218 12.130 13.288 134 1HE MET 303 HE1 MET 303 6.170 12.323 12.967 135 2HE MET 303 HE2 MET 303 4.635 12.122 12.090 136 3HE MET 303 HE3 MET 303 5.200 13.747 12.532 137 H SER 304 H SER 304 0.549 15.520 10.539 138 HA SER 304 HA SER 304 1.036 18.316 10.933 139 1HB SER 304 HB2 SER 304 0.213 18.585 8.664 140 2HB SER 304 HB3 SER 304 1.280 17.179 8.773 141 HG SER 304 HG SER 304 -1.550 17.262 8.466 142 H THR 305 H THR 305 -1.799 16.460 11.566 143 HA THR 305 HA THR 305 -3.883 18.040 10.764 144 HB THR 305 HB THR 305 -3.838 16.338 13.271 145 HG1 THR 305 HG1 THR 305 -3.281 15.004 11.793 146 1HG2 THR 305 HG21 THR 305 -6.075 17.346 11.474 147 2HG2 THR 305 HG22 THR 305 -6.240 15.886 12.467 148 3HG2 THR 305 HG23 THR 305 -5.929 17.427 13.250 149 H GLU 306 H GLU 306 -1.968 18.763 13.668 150 HA GLU 306 HA GLU 306 -3.788 20.486 14.977 151 1HB GLU 306 HB2 GLU 306 -0.761 20.762 14.724 152 2HB GLU 306 HB3 GLU 306 -1.788 21.636 15.869 153 1HG GLU 306 HG2 GLU 306 -2.563 19.374 16.753 154 2HG GLU 306 HG3 GLU 306 -1.294 18.638 15.762 155 H ASN 307 H ASN 307 -1.771 21.186 12.123 156 HA ASN 307 HA ASN 307 -2.409 24.044 12.065 157 1HB ASN 307 HB2 ASN 307 -0.313 23.095 11.129 158 2HB ASN 307 HB3 ASN 307 -1.248 22.141 9.974 159 1HD2 ASN 307 HD22 ASN 307 -0.485 25.516 10.944 160 2HD2 ASN 307 HD21 ASN 307 -0.785 26.174 9.344 161 H GLU 308 H GLU 308 -3.844 21.095 10.756 162 HA GLU 308 HA GLU 308 -5.507 22.366 8.750 163 1HB GLU 308 HB2 GLU 308 -5.564 19.603 10.024 164 2HB GLU 308 HB3 GLU 308 -6.606 20.103 8.696 165 1HG GLU 308 HG2 GLU 308 -4.782 20.385 7.191 166 2HG GLU 308 HG3 GLU 308 -3.582 20.367 8.478 167 H LEU 309 H LEU 309 -6.035 21.505 12.178 168 HA LEU 309 HA LEU 309 -8.823 22.355 12.232 169 1HB LEU 309 HB2 LEU 309 -6.705 21.915 14.377 170 2HB LEU 309 HB3 LEU 309 -8.256 22.617 14.766 171 HG LEU 309 HG LEU 309 -8.355 20.364 15.369 172 1HD1 LEU 309 HD11 LEU 309 -9.920 20.518 12.769 173 2HD1 LEU 309 HD12 LEU 309 -10.251 19.510 14.185 174 3HD1 LEU 309 HD13 LEU 309 -10.423 21.271 14.306 175 1HD2 LEU 309 HD21 LEU 309 -6.588 19.482 13.949 176 2HD2 LEU 309 HD22 LEU 309 -8.048 18.485 13.886 177 3HD2 LEU 309 HD23 LEU 309 -7.658 19.556 12.527 178 H LYS 310 H LYS 310 -5.987 24.162 11.857 179 HA LYS 310 HA LYS 310 -7.251 26.683 12.858 180 1HB LYS 310 HB2 LYS 310 -5.142 25.648 14.004 181 2HB LYS 310 HB3 LYS 310 -4.264 26.240 12.590 182 1HG LYS 310 HG2 LYS 310 -5.072 28.560 13.117 183 2HG LYS 310 HG3 LYS 310 -5.970 27.914 14.503 184 1HD LYS 310 HD2 LYS 310 -3.837 27.095 15.488 185 2HD LYS 310 HD3 LYS 310 -2.935 27.784 14.134 186 1HE LYS 310 HE2 LYS 310 -4.699 29.378 16.057 187 2HE LYS 310 HE3 LYS 310 -2.957 29.167 16.251 188 1HZ LYS 310 HZ1 LYS 310 -2.638 30.282 14.107 189 2HZ LYS 310 HZ2 LYS 310 -4.250 30.507 13.936 190 3HZ LYS 310 HZ3 LYS 310 -3.444 31.252 15.140 191 H GLY 311 H GLY 311 -7.480 25.347 10.234 192 1HA GLY 311 HA2 GLY 311 -6.888 27.645 8.448 193 2HA GLY 311 HA3 GLY 311 -6.224 26.064 8.030 194 H GLN 312 H GLN 312 -7.483 26.258 6.091 195 HA GLN 312 HA GLN 312 -10.425 25.761 6.355 196 1HB GLN 312 HB2 GLN 312 -8.888 27.282 4.206 197 2HB GLN 312 HB3 GLN 312 -10.595 26.861 4.131 198 1HG GLN 312 HG2 GLN 312 -10.576 29.093 4.833 199 2HG GLN 312 HG3 GLN 312 -10.995 28.140 6.248 200 1HE2 GLN 312 HE22 GLN 312 -10.296 29.697 7.803 201 2HE2 GLN 312 HE21 GLN 312 -8.608 30.167 7.950 202 H GLN 313 H GLN 313 -8.702 23.634 6.590 203 HA GLN 313 HA GLN 313 -7.978 22.223 4.282 204 1HB GLN 313 HB2 GLN 313 -7.224 21.653 6.534 205 2HB GLN 313 HB3 GLN 313 -8.867 21.260 7.029 206 1HG GLN 313 HG2 GLN 313 -7.630 19.232 6.729 207 2HG GLN 313 HG3 GLN 313 -8.875 19.296 5.505 208 1HE2 GLN 313 HE22 GLN 313 -5.809 18.239 5.893 209 2HE2 GLN 313 HE21 GLN 313 -5.214 18.533 4.254 210 H ALA 314 H ALA 314 -8.899 20.687 2.993 211 HA ALA 314 HA ALA 314 -11.714 19.883 3.207 212 1HB ALA 314 HB1 ALA 314 -12.306 20.838 0.993 213 2HB ALA 314 HB2 ALA 314 -11.866 22.116 2.136 214 3HB ALA 314 HB3 ALA 314 -10.706 21.604 0.890 215 H LEU 315 H LEU 315 -12.310 18.438 1.341 216 HA LEU 315 HA LEU 315 -10.441 16.324 0.969 217 1HB LEU 315 HB2 LEU 315 -12.098 15.223 -0.237 218 2HB LEU 315 HB3 LEU 315 -12.942 16.101 1.022 219 HG LEU 315 HG LEU 315 -12.802 16.870 -1.937 220 1HD1 LEU 315 HD11 LEU 315 -14.111 14.836 -1.473 221 2HD1 LEU 315 HD12 LEU 315 -15.059 15.715 -0.251 222 3HD1 LEU 315 HD13 LEU 315 -15.157 16.175 -1.966 223 1HD2 LEU 315 HD21 LEU 315 -14.661 18.444 -1.379 224 2HD2 LEU 315 HD22 LEU 315 -14.408 18.109 0.348 225 3HD2 LEU 315 HD23 LEU 315 -13.139 18.905 -0.623 226 1H GLY 586 H1 GLY 586 5.729 4.316 40.224 227 2H GLY 586 H2 GLY 586 4.408 4.674 39.326 228 3H GLY 586 H3 GLY 586 5.284 5.878 40.012 229 1HA GLY 586 HA2 GLY 586 7.191 5.379 38.638 230 2HA GLY 586 HA3 GLY 586 6.258 4.067 37.897 231 H VAL 587 H VAL 587 5.529 4.611 35.928 232 HA VAL 587 HA VAL 587 5.333 7.283 34.893 233 HB VAL 587 HB VAL 587 4.086 4.695 33.873 234 1HG1 VAL 587 HG11 VAL 587 4.593 7.342 32.435 235 2HG1 VAL 587 HG12 VAL 587 4.125 5.821 31.647 236 3HG1 VAL 587 HG13 VAL 587 3.008 6.597 32.761 237 1HG2 VAL 587 HG21 VAL 587 6.714 6.072 33.151 238 2HG2 VAL 587 HG22 VAL 587 6.550 4.530 34.019 239 3HG2 VAL 587 HG23 VAL 587 6.038 4.646 32.337 240 H ARG 588 H ARG 588 3.609 8.631 34.561 241 HA ARG 588 HA ARG 588 0.870 7.927 35.454 242 1HB ARG 588 HB2 ARG 588 2.328 8.966 37.382 243 2HB ARG 588 HB3 ARG 588 2.244 10.452 36.448 244 1HG ARG 588 HG2 ARG 588 -0.426 9.898 36.573 245 2HG ARG 588 HG3 ARG 588 0.103 8.957 37.965 246 1HD ARG 588 HD2 ARG 588 -0.507 11.122 38.776 247 2HD ARG 588 HD3 ARG 588 1.266 11.059 38.814 248 HE ARG 588 HE ARG 588 0.170 12.135 36.313 249 1HH1 ARG 588 HH12 ARG 588 1.098 13.182 39.533 250 2HH1 ARG 588 HH11 ARG 588 1.353 14.822 38.994 251 1HH2 ARG 588 HH21 ARG 588 0.497 14.120 35.718 252 2HH2 ARG 588 HH22 ARG 588 1.008 15.360 36.848 253 H LYS 589 H LYS 589 -0.723 9.249 34.507 254 HA LYS 589 HA LYS 589 -0.157 10.567 31.990 255 1HB LYS 589 HB2 LYS 589 -2.632 10.463 33.779 256 2HB LYS 589 HB3 LYS 589 -2.619 11.230 32.200 257 1HG LYS 589 HG2 LYS 589 -2.108 8.270 32.717 258 2HG LYS 589 HG3 LYS 589 -3.581 9.016 32.092 259 1HD LYS 589 HD2 LYS 589 -1.914 9.981 30.242 260 2HD LYS 589 HD3 LYS 589 -0.925 8.597 30.710 261 1HE LYS 589 HE2 LYS 589 -2.601 7.028 30.043 262 2HE LYS 589 HE3 LYS 589 -3.879 8.253 30.100 263 1HZ LYS 589 HZ1 LYS 589 -3.291 7.863 27.800 264 2HZ LYS 589 HZ2 LYS 589 -2.860 9.362 28.223 265 3HZ LYS 589 HZ3 LYS 589 -1.707 8.188 28.087 266 H GLY 590 H GLY 590 -0.923 12.745 31.472 267 1HA GLY 590 HA2 GLY 590 -1.333 14.878 33.188 268 2HA GLY 590 HA3 GLY 590 0.429 14.782 33.056 269 H TRP 591 H TRP 591 0.393 13.902 30.262 270 HA TRP 591 HA TRP 591 0.614 16.364 28.943 271 1HB TRP 591 HB2 TRP 591 1.041 15.045 26.972 272 2HB TRP 591 HB3 TRP 591 1.810 14.312 28.364 273 HD1 TRP 591 HD1 TRP 591 1.145 11.848 28.977 274 HE1 TRP 591 HE1 TRP 591 -0.126 10.012 27.714 275 HE3 TRP 591 HE3 TRP 591 -1.190 14.735 25.429 276 HZ2 TRP 591 HZ2 TRP 591 -2.094 9.843 25.613 277 HZ3 TRP 591 HZ3 TRP 591 -2.744 13.687 23.804 278 HH2 TRP 591 HH2 TRP 591 -3.202 11.258 23.887 279 H HIS 592 H HIS 592 -2.329 14.764 29.524 280 HA HIS 592 HA HIS 592 -3.734 15.055 27.097 281 1HB HIS 592 HB2 HIS 592 -4.652 14.906 29.993 282 2HB HIS 592 HB3 HIS 592 -5.756 14.893 28.626 283 HD1 HIS 592 HD1 HIS 592 -6.635 12.495 28.709 284 HD2 HIS 592 HD2 HIS 592 -2.439 12.759 28.731 285 HE1 HIS 592 HE1 HIS 592 -5.768 10.110 28.505 286 H GLU 593 H GLU 593 -3.046 17.550 29.494 287 HA GLU 593 HA GLU 593 -5.122 19.385 28.878 288 1HB GLU 593 HB2 GLU 593 -3.757 21.014 29.976 289 2HB GLU 593 HB3 GLU 593 -3.674 19.500 30.864 290 1HG GLU 593 HG2 GLU 593 -1.441 19.034 29.899 291 2HG GLU 593 HG3 GLU 593 -1.537 20.507 28.932 292 H HIS 594 H HIS 594 -2.472 18.457 26.883 293 HA HIS 594 HA HIS 594 -2.539 20.930 25.250 294 1HB HIS 594 HB2 HIS 594 -0.838 18.430 25.043 295 2HB HIS 594 HB3 HIS 594 -0.607 19.919 24.119 296 HD1 HIS 594 HD1 HIS 594 -0.030 22.175 25.829 297 HD2 HIS 594 HD2 HIS 594 0.534 18.247 27.216 298 HE1 HIS 594 HE1 HIS 594 1.540 22.346 27.832 299 H VAL 595 H VAL 595 -4.693 18.603 25.358 300 HA VAL 595 HA VAL 595 -5.196 18.609 22.404 301 HB VAL 595 HB VAL 595 -5.449 16.207 24.264 302 1HG1 VAL 595 HG11 VAL 595 -6.170 14.961 22.228 303 2HG1 VAL 595 HG12 VAL 595 -7.361 16.150 22.751 304 3HG1 VAL 595 HG13 VAL 595 -6.316 16.494 21.352 305 1HG2 VAL 595 HG21 VAL 595 -3.165 16.482 23.466 306 2HG2 VAL 595 HG22 VAL 595 -3.912 15.164 22.561 307 3HG2 VAL 595 HG23 VAL 595 -3.732 16.752 21.798 308 H THR 596 H THR 596 -7.347 18.677 21.790 309 HA THR 596 HA THR 596 -9.422 19.336 23.840 310 HB THR 596 HB THR 596 -8.645 21.009 21.411 311 HG1 THR 596 HG1 THR 596 -7.326 21.319 23.215 312 1HG2 THR 596 HG21 THR 596 -10.905 21.424 23.416 313 2HG2 THR 596 HG22 THR 596 -10.294 22.671 22.307 314 3HG2 THR 596 HG23 THR 596 -11.050 21.225 21.647 315 H GLN 597 H GLN 597 -11.601 19.075 23.068 316 HA GLN 597 HA GLN 597 -12.100 16.716 21.740 317 1HB GLN 597 HB2 GLN 597 -13.695 17.865 23.204 318 2HB GLN 597 HB3 GLN 597 -13.909 19.143 22.004 319 1HG GLN 597 HG2 GLN 597 -15.786 17.620 21.927 320 2HG GLN 597 HG3 GLN 597 -14.917 17.532 20.418 321 1HE2 GLN 597 HE22 GLN 597 -14.625 15.409 19.659 322 2HE2 GLN 597 HE21 GLN 597 -14.565 14.009 20.727 323 H ASP 598 H ASP 598 -12.264 19.957 20.158 324 HA ASP 598 HA ASP 598 -13.118 19.155 17.621 325 1HB ASP 598 HB2 ASP 598 -11.103 21.307 18.375 326 2HB ASP 598 HB3 ASP 598 -11.795 21.122 16.765 327 H LEU 599 H LEU 599 -9.789 18.915 18.905 328 HA LEU 599 HA LEU 599 -8.653 17.930 16.421 329 1HB LEU 599 HB2 LEU 599 -7.326 19.080 18.185 330 2HB LEU 599 HB3 LEU 599 -7.633 17.737 19.287 331 HG LEU 599 HG LEU 599 -6.371 16.205 17.843 332 1HD1 LEU 599 HD11 LEU 599 -5.849 18.666 16.117 333 2HD1 LEU 599 HD12 LEU 599 -5.013 17.106 15.962 334 3HD1 LEU 599 HD13 LEU 599 -6.736 17.199 15.625 335 1HD2 LEU 599 HD21 LEU 599 -5.198 17.509 19.603 336 2HD2 LEU 599 HD22 LEU 599 -4.147 17.154 18.230 337 3HD2 LEU 599 HD23 LEU 599 -4.841 18.780 18.416 338 H ARG 600 H ARG 600 -9.776 16.352 19.462 339 HA ARG 600 HA ARG 600 -9.327 13.627 18.775 340 1HB ARG 600 HB2 ARG 600 -11.683 14.788 20.329 341 2HB ARG 600 HB3 ARG 600 -11.183 13.117 20.340 342 1HG ARG 600 HG2 ARG 600 -9.498 15.448 21.370 343 2HG ARG 600 HG3 ARG 600 -10.519 14.423 22.365 344 1HD ARG 600 HD2 ARG 600 -8.122 13.503 20.736 345 2HD ARG 600 HD3 ARG 600 -8.135 13.758 22.481 346 HE ARG 600 HE ARG 600 -9.220 11.485 20.995 347 1HH1 ARG 600 HH11 ARG 600 -9.461 13.122 24.099 348 2HH1 ARG 600 HH12 ARG 600 -10.131 11.719 24.876 349 1HH2 ARG 600 HH22 ARG 600 -10.059 9.785 22.019 350 2HH2 ARG 600 HH21 ARG 600 -10.475 9.859 23.728 351 H SER 601 H SER 601 -12.304 15.522 18.167 352 HA SER 601 HA SER 601 -13.816 13.605 16.780 353 1HB SER 601 HB2 SER 601 -13.617 16.603 16.290 354 2HB SER 601 HB3 SER 601 -14.939 15.555 15.732 355 HG SER 601 HG SER 601 -15.529 16.561 17.663 356 H HIS 602 H HIS 602 -11.486 15.969 15.419 357 HA HIS 602 HA HIS 602 -11.835 15.140 12.690 358 1HB HIS 602 HB2 HIS 602 -11.097 17.359 13.493 359 2HB HIS 602 HB3 HIS 602 -9.592 16.664 14.057 360 HD1 HIS 602 HD1 HIS 602 -10.862 18.548 11.251 361 HD2 HIS 602 HD2 HIS 602 -8.309 15.234 11.668 362 HE1 HIS 602 HE1 HIS 602 -9.503 18.412 9.098 363 H LEU 603 H LEU 603 -9.329 14.274 15.170 364 HA LEU 603 HA LEU 603 -7.802 12.608 13.402 365 1HB LEU 603 HB2 LEU 603 -8.054 12.593 16.433 366 2HB LEU 603 HB3 LEU 603 -6.903 11.617 15.532 367 HG LEU 603 HG LEU 603 -6.942 14.661 15.639 368 1HD1 LEU 603 HD11 LEU 603 -6.137 13.548 17.678 369 2HD1 LEU 603 HD12 LEU 603 -4.981 12.594 16.717 370 3HD1 LEU 603 HD13 LEU 603 -4.810 14.360 16.832 371 1HD2 LEU 603 HD21 LEU 603 -6.101 13.900 13.431 372 2HD2 LEU 603 HD22 LEU 603 -4.877 14.671 14.436 373 3HD2 LEU 603 HD23 LEU 603 -4.896 12.903 14.275 374 H VAL 604 H VAL 604 -10.615 11.773 15.474 375 HA VAL 604 HA VAL 604 -10.649 8.965 14.887 376 HB VAL 604 HB VAL 604 -12.874 10.952 15.461 377 1HG1 VAL 604 HG11 VAL 604 -13.920 9.148 14.130 378 2HG1 VAL 604 HG12 VAL 604 -13.165 7.926 15.184 379 3HG1 VAL 604 HG13 VAL 604 -14.387 9.057 15.816 380 1HG2 VAL 604 HG21 VAL 604 -11.314 10.340 17.322 381 2HG2 VAL 604 HG22 VAL 604 -12.971 9.810 17.619 382 3HG2 VAL 604 HG23 VAL 604 -11.747 8.636 17.089 383 H HIS 605 H HIS 605 -12.231 11.679 13.084 384 HA HIS 605 HA HIS 605 -13.202 10.026 10.974 385 1HB HIS 605 HB2 HIS 605 -13.926 12.375 11.548 386 2HB HIS 605 HB3 HIS 605 -12.439 12.969 10.810 387 HD1 HIS 605 HD1 HIS 605 -15.860 11.564 9.898 388 HD2 HIS 605 HD2 HIS 605 -12.244 12.705 8.070 389 HE1 HIS 605 HE1 HIS 605 -16.331 11.688 7.397 390 H LYS 606 H LYS 606 -10.112 11.729 11.333 391 HA LYS 606 HA LYS 606 -9.070 11.074 8.748 392 1HB LYS 606 HB2 LYS 606 -8.393 12.887 10.426 393 2HB LYS 606 HB3 LYS 606 -7.409 11.659 11.229 394 1HG LYS 606 HG2 LYS 606 -5.955 11.482 9.354 395 2HG LYS 606 HG3 LYS 606 -7.154 12.169 8.236 396 1HD LYS 606 HD2 LYS 606 -6.964 14.375 9.275 397 2HD LYS 606 HD3 LYS 606 -5.830 13.737 10.486 398 1HE LYS 606 HE2 LYS 606 -4.236 13.172 8.729 399 2HE LYS 606 HE3 LYS 606 -5.347 13.739 7.465 400 1HZ LYS 606 HZ1 LYS 606 -3.534 15.315 8.272 401 2HZ LYS 606 HZ2 LYS 606 -5.028 15.990 8.222 402 3HZ LYS 606 HZ3 LYS 606 -4.368 15.484 9.643 403 H LEU 607 H LEU 607 -8.951 9.289 11.808 404 HA LEU 607 HA LEU 607 -7.341 7.080 10.915 405 1HB LEU 607 HB2 LEU 607 -9.024 7.694 13.226 406 2HB LEU 607 HB3 LEU 607 -9.453 6.125 12.601 407 HG LEU 607 HG LEU 607 -6.973 5.504 12.714 408 1HD1 LEU 607 HD11 LEU 607 -6.878 7.926 14.583 409 2HD1 LEU 607 HD12 LEU 607 -5.605 6.711 14.378 410 3HD1 LEU 607 HD13 LEU 607 -6.021 7.804 13.042 411 1HD2 LEU 607 HD21 LEU 607 -7.120 4.992 15.119 412 2HD2 LEU 607 HD22 LEU 607 -8.469 6.138 15.286 413 3HD2 LEU 607 HD23 LEU 607 -8.654 4.674 14.299 414 H VAL 608 H VAL 608 -10.901 7.561 10.843 415 HA VAL 608 HA VAL 608 -11.606 5.178 9.512 416 HB VAL 608 HB VAL 608 -13.003 7.880 9.496 417 1HG1 VAL 608 HG11 VAL 608 -15.054 6.581 8.932 418 2HG1 VAL 608 HG12 VAL 608 -13.886 6.589 7.616 419 3HG1 VAL 608 HG13 VAL 608 -14.033 5.150 8.657 420 1HG2 VAL 608 HG21 VAL 608 -12.722 6.738 11.731 421 2HG2 VAL 608 HG22 VAL 608 -14.396 6.925 11.229 422 3HG2 VAL 608 HG23 VAL 608 -13.595 5.343 11.070 423 H GLN 609 H GLN 609 -10.887 8.354 7.941 424 HA GLN 609 HA GLN 609 -11.495 7.506 5.303 425 1HB GLN 609 HB2 GLN 609 -9.514 9.581 6.320 426 2HB GLN 609 HB3 GLN 609 -9.885 9.376 4.613 427 1HG GLN 609 HG2 GLN 609 -11.978 10.000 6.725 428 2HG GLN 609 HG3 GLN 609 -11.188 11.217 5.726 429 1HE2 GLN 609 HE22 GLN 609 -13.932 11.117 5.645 430 2HE2 GLN 609 HE21 GLN 609 -14.446 10.418 4.106 431 H ALA 610 H ALA 610 -8.409 7.160 7.074 432 HA ALA 610 HA ALA 610 -6.956 6.131 4.797 433 1HB ALA 610 HB1 ALA 610 -5.887 7.074 6.853 434 2HB ALA 610 HB2 ALA 610 -6.431 5.612 7.738 435 3HB ALA 610 HB3 ALA 610 -5.282 5.469 6.385 436 H ILE 611 H ILE 611 -9.101 4.636 7.183 437 HA ILE 611 HA ILE 611 -8.320 1.878 6.648 438 HB ILE 611 HB ILE 611 -10.729 3.065 8.087 439 1HG1 ILE 611 HG12 ILE 611 -8.278 1.684 9.238 440 2HG1 ILE 611 HG13 ILE 611 -8.356 3.398 9.055 441 1HG2 ILE 611 HG21 ILE 611 -11.462 0.929 7.369 442 2HG2 ILE 611 HG22 ILE 611 -9.875 0.188 7.603 443 3HG2 ILE 611 HG23 ILE 611 -10.862 0.629 8.999 444 1HD1 ILE 611 HD11 ILE 611 -10.209 1.760 10.823 445 2HD1 ILE 611 HD12 ILE 611 -8.918 2.861 11.329 446 3HD1 ILE 611 HD13 ILE 611 -10.360 3.508 10.534 447 H PHE 612 H PHE 612 -11.211 3.878 5.762 448 HA PHE 612 HA PHE 612 -11.334 2.363 3.209 449 1HB PHE 612 HB2 PHE 612 -12.894 1.234 4.616 450 2HB PHE 612 HB3 PHE 612 -13.626 2.739 5.116 451 HD1 PHE 612 HD1 PHE 612 -12.890 2.651 1.497 452 HD2 PHE 612 HD2 PHE 612 -15.735 1.486 4.529 453 HE1 PHE 612 HE1 PHE 612 -14.649 2.575 -0.206 454 HE2 PHE 612 HE2 PHE 612 -17.483 1.290 2.777 455 HZ PHE 612 HZ PHE 612 -16.936 1.800 0.415 456 HA PRO 613 HA PRO 613 -11.760 6.789 2.085 457 1HB PRO 613 HB2 PRO 613 -10.642 5.916 -0.510 458 2HB PRO 613 HB3 PRO 613 -10.035 7.143 0.626 459 1HG PRO 613 HG2 PRO 613 -8.783 4.706 0.213 460 2HG PRO 613 HG3 PRO 613 -8.716 5.601 1.761 461 1HD PRO 613 HD2 PRO 613 -10.527 3.307 0.994 462 2HD PRO 613 HD3 PRO 613 -9.617 3.551 2.513 463 H THR 614 H THR 614 -14.008 6.586 2.105 464 HA THR 614 HA THR 614 -15.598 4.769 0.823 465 HB THR 614 HB THR 614 -17.461 6.541 1.094 466 HG1 THR 614 HG1 THR 614 -16.038 8.360 1.091 467 1HG2 THR 614 HG21 THR 614 -15.705 5.752 3.448 468 2HG2 THR 614 HG22 THR 614 -17.400 6.266 3.536 469 3HG2 THR 614 HG23 THR 614 -16.983 4.755 2.719 470 HA PRO 615 HA PRO 615 -15.837 5.697 -3.409 471 1HB PRO 615 HB2 PRO 615 -18.298 4.718 -4.164 472 2HB PRO 615 HB3 PRO 615 -16.931 3.680 -3.663 473 1HG PRO 615 HG2 PRO 615 -19.227 4.635 -1.946 474 2HG PRO 615 HG3 PRO 615 -18.606 2.963 -2.140 475 1HD PRO 615 HD2 PRO 615 -17.787 4.465 -0.052 476 2HD PRO 615 HD3 PRO 615 -16.621 3.457 -0.965 477 H ASP 616 H ASP 616 -18.514 6.792 -1.407 478 HA ASP 616 HA ASP 616 -18.807 9.378 -2.789 479 1HB ASP 616 HB2 ASP 616 -21.047 7.344 -2.458 480 2HB ASP 616 HB3 ASP 616 -21.350 9.014 -2.813 481 HA PRO 617 HA PRO 617 -19.687 10.547 1.447 482 1HB PRO 617 HB2 PRO 617 -21.340 12.726 1.198 483 2HB PRO 617 HB3 PRO 617 -19.593 12.741 0.818 484 1HG PRO 617 HG2 PRO 617 -21.917 12.479 -1.089 485 2HG PRO 617 HG3 PRO 617 -20.434 13.466 -1.268 486 1HD PRO 617 HD2 PRO 617 -20.796 11.017 -2.450 487 2HD PRO 617 HD3 PRO 617 -19.184 11.579 -1.976 488 H ALA 618 H ALA 618 -22.362 9.714 -0.703 489 HA ALA 618 HA ALA 618 -24.407 9.316 1.273 490 1HB ALA 618 HB1 ALA 618 -23.878 7.910 -1.390 491 2HB ALA 618 HB2 ALA 618 -25.391 7.846 -0.463 492 3HB ALA 618 HB3 ALA 618 -24.843 9.385 -1.153 493 H ALA 619 H ALA 619 -21.841 7.119 0.003 494 HA ALA 619 HA ALA 619 -22.523 4.866 1.656 495 1HB ALA 619 HB1 ALA 619 -20.314 4.022 0.956 496 2HB ALA 619 HB2 ALA 619 -21.194 4.693 -0.427 497 3HB ALA 619 HB3 ALA 619 -19.878 5.618 0.324 498 H LEU 620 H LEU 620 -20.295 7.622 2.126 499 HA LEU 620 HA LEU 620 -19.200 6.882 4.640 500 1HB LEU 620 HB2 LEU 620 -18.456 8.658 3.022 501 2HB LEU 620 HB3 LEU 620 -19.817 9.639 3.504 502 HG LEU 620 HG LEU 620 -17.703 10.390 4.383 503 1HD1 LEU 620 HD11 LEU 620 -19.860 10.818 5.626 504 2HD1 LEU 620 HD12 LEU 620 -19.382 9.523 6.752 505 3HD1 LEU 620 HD13 LEU 620 -18.372 10.957 6.573 506 1HD2 LEU 620 HD21 LEU 620 -16.576 8.225 4.733 507 2HD2 LEU 620 HD22 LEU 620 -16.514 9.247 6.176 508 3HD2 LEU 620 HD23 LEU 620 -17.651 7.888 6.112 509 H LYS 621 H LYS 621 -22.145 8.810 3.922 510 HA LYS 621 HA LYS 621 -22.857 9.226 6.684 511 1HB LYS 621 HB2 LYS 621 -23.464 10.672 4.739 512 2HB LYS 621 HB3 LYS 621 -24.578 9.416 4.176 513 1HG LYS 621 HG2 LYS 621 -25.961 9.689 6.178 514 2HG LYS 621 HG3 LYS 621 -24.747 10.739 6.922 515 1HD LYS 621 HD2 LYS 621 -26.607 12.062 6.105 516 2HD LYS 621 HD3 LYS 621 -25.138 12.459 5.202 517 1HE LYS 621 HE2 LYS 621 -25.891 11.028 3.324 518 2HE LYS 621 HE3 LYS 621 -27.332 10.563 4.239 519 1HZ LYS 621 HZ1 LYS 621 -27.807 12.363 2.672 520 2HZ LYS 621 HZ2 LYS 621 -28.035 12.893 4.197 521 3HZ LYS 621 HZ3 LYS 621 -26.697 13.335 3.370 522 H ASP 622 H ASP 622 -23.699 6.652 4.427 523 HA ASP 622 HA ASP 622 -25.978 5.589 5.681 524 1HB ASP 622 HB2 ASP 622 -25.112 5.034 3.423 525 2HB ASP 622 HB3 ASP 622 -23.795 4.119 4.153 526 H ARG 623 H ARG 623 -26.398 4.120 7.259 527 HA ARG 623 HA ARG 623 -24.785 3.858 9.503 528 1HB ARG 623 HB2 ARG 623 -26.348 2.360 10.398 529 2HB ARG 623 HB3 ARG 623 -27.233 3.558 9.480 530 1HG ARG 623 HG2 ARG 623 -26.603 0.749 8.441 531 2HG ARG 623 HG3 ARG 623 -28.046 1.166 9.356 532 1HD ARG 623 HD2 ARG 623 -28.730 2.779 7.621 533 2HD ARG 623 HD3 ARG 623 -27.319 2.359 6.655 534 HE ARG 623 HE ARG 623 -29.679 0.645 7.228 535 1HH1 ARG 623 HH12 ARG 623 -26.700 0.978 5.348 536 2HH1 ARG 623 HH11 ARG 623 -27.036 -0.499 4.476 537 1HH2 ARG 623 HH21 ARG 623 -30.021 -1.155 6.010 538 2HH2 ARG 623 HH22 ARG 623 -28.868 -1.630 4.801 539 H ARG 624 H ARG 624 -24.474 1.829 6.672 540 HA ARG 624 HA ARG 624 -23.055 -0.359 7.911 541 1HB ARG 624 HB2 ARG 624 -22.364 -0.970 5.737 542 2HB ARG 624 HB3 ARG 624 -23.983 -0.303 5.572 543 1HG ARG 624 HG2 ARG 624 -22.792 1.927 4.896 544 2HG ARG 624 HG3 ARG 624 -21.320 0.967 4.802 545 1HD ARG 624 HD2 ARG 624 -22.168 1.032 2.595 546 2HD ARG 624 HD3 ARG 624 -22.567 -0.591 3.195 547 HE ARG 624 HE ARG 624 -24.700 1.259 3.760 548 1HH1 ARG 624 HH11 ARG 624 -23.483 -0.640 1.075 549 2HH1 ARG 624 HH12 ARG 624 -24.975 -0.494 0.186 550 1HH2 ARG 624 HH21 ARG 624 -26.451 1.614 2.492 551 2HH2 ARG 624 HH22 ARG 624 -26.653 0.704 1.011 552 H MET 625 H MET 625 -21.985 2.871 7.017 553 HA MET 625 HA MET 625 -19.150 2.310 7.458 554 1HB MET 625 HB2 MET 625 -20.206 4.080 5.908 555 2HB MET 625 HB3 MET 625 -20.526 5.015 7.374 556 1HG MET 625 HG2 MET 625 -18.482 5.813 6.469 557 2HG MET 625 HG3 MET 625 -18.036 4.861 7.880 558 1HE MET 625 HE1 MET 625 -15.529 4.673 7.143 559 2HE MET 625 HE2 MET 625 -14.999 4.373 5.479 560 3HE MET 625 HE3 MET 625 -15.972 5.814 5.853 561 H GLU 626 H GLU 626 -21.836 3.700 9.397 562 HA GLU 626 HA GLU 626 -20.376 4.654 11.572 563 1HB GLU 626 HB2 GLU 626 -23.127 3.388 11.608 564 2HB GLU 626 HB3 GLU 626 -22.393 4.293 12.934 565 1HG GLU 626 HG2 GLU 626 -22.116 6.258 11.361 566 2HG GLU 626 HG3 GLU 626 -23.084 5.380 10.176 567 H ASN 627 H ASN 627 -21.127 1.297 10.825 568 HA ASN 627 HA ASN 627 -20.384 0.091 13.300 569 1HB ASN 627 HB2 ASN 627 -21.622 -0.905 11.290 570 2HB ASN 627 HB3 ASN 627 -20.060 -1.042 10.487 571 1HD2 ASN 627 HD22 ASN 627 -20.354 -3.338 10.357 572 2HD2 ASN 627 HD21 ASN 627 -20.177 -4.344 11.782 573 H LEU 628 H LEU 628 -18.405 1.109 10.520 574 HA LEU 628 HA LEU 628 -15.842 0.213 11.670 575 1HB LEU 628 HB2 LEU 628 -15.971 0.210 9.291 576 2HB LEU 628 HB3 LEU 628 -16.753 1.772 9.228 577 HG LEU 628 HG LEU 628 -14.708 2.939 9.790 578 1HD1 LEU 628 HD11 LEU 628 -12.558 1.873 9.926 579 2HD1 LEU 628 HD12 LEU 628 -13.566 1.169 11.180 580 3HD1 LEU 628 HD13 LEU 628 -13.268 0.259 9.688 581 1HD2 LEU 628 HD21 LEU 628 -14.233 0.896 7.582 582 2HD2 LEU 628 HD22 LEU 628 -15.245 2.340 7.427 583 3HD2 LEU 628 HD23 LEU 628 -13.506 2.514 7.723 584 H VAL 629 H VAL 629 -17.535 3.334 11.255 585 HA VAL 629 HA VAL 629 -15.616 5.044 12.441 586 HB VAL 629 HB VAL 629 -18.629 5.191 12.434 587 1HG1 VAL 629 HG11 VAL 629 -17.932 6.685 14.193 588 2HG1 VAL 629 HG12 VAL 629 -16.698 7.419 13.130 589 3HG1 VAL 629 HG13 VAL 629 -18.438 7.615 12.783 590 1HG2 VAL 629 HG21 VAL 629 -18.395 6.691 10.552 591 2HG2 VAL 629 HG22 VAL 629 -16.634 6.745 10.739 592 3HG2 VAL 629 HG23 VAL 629 -17.420 5.263 10.183 593 H ALA 630 H ALA 630 -18.134 3.127 14.117 594 HA ALA 630 HA ALA 630 -17.560 4.039 16.761 595 1HB ALA 630 HB1 ALA 630 -19.644 2.900 16.115 596 2HB ALA 630 HB2 ALA 630 -18.742 1.409 15.761 597 3HB ALA 630 HB3 ALA 630 -18.831 2.025 17.427 598 H TYR 631 H TYR 631 -16.179 1.315 14.849 599 HA TYR 631 HA TYR 631 -14.450 0.422 16.989 600 1HB TYR 631 HB2 TYR 631 -14.182 -1.299 15.685 601 2HB TYR 631 HB3 TYR 631 -15.215 -0.567 14.520 602 HD1 TYR 631 HD1 TYR 631 -14.433 -1.604 12.643 603 HD2 TYR 631 HD2 TYR 631 -11.501 0.205 15.220 604 HE1 TYR 631 HE1 TYR 631 -12.657 -2.049 10.992 605 HE2 TYR 631 HE2 TYR 631 -9.802 -0.029 13.446 606 HH TYR 631 HH TYR 631 -10.575 -1.579 10.303 607 H ALA 632 H ALA 632 -13.961 2.706 14.242 608 HA ALA 632 HA ALA 632 -11.289 3.398 14.893 609 1HB ALA 632 HB1 ALA 632 -11.709 5.419 13.585 610 2HB ALA 632 HB2 ALA 632 -12.409 3.994 12.788 611 3HB ALA 632 HB3 ALA 632 -13.460 5.136 13.662 612 H LYS 633 H LYS 633 -14.365 4.798 16.218 613 HA LYS 633 HA LYS 633 -13.082 6.645 18.034 614 1HB LYS 633 HB2 LYS 633 -15.761 5.199 18.106 615 2HB LYS 633 HB3 LYS 633 -15.204 6.197 19.450 616 1HG LYS 633 HG2 LYS 633 -14.922 8.121 17.907 617 2HG LYS 633 HG3 LYS 633 -15.633 7.150 16.596 618 1HD LYS 633 HD2 LYS 633 -17.737 6.917 17.862 619 2HD LYS 633 HD3 LYS 633 -17.008 7.702 19.264 620 1HE LYS 633 HE2 LYS 633 -18.384 9.334 18.273 621 2HE LYS 633 HE3 LYS 633 -16.719 9.802 17.932 622 1HZ LYS 633 HZ1 LYS 633 -18.551 8.437 16.024 623 2HZ LYS 633 HZ2 LYS 633 -18.153 10.016 15.978 624 3HZ LYS 633 HZ3 LYS 633 -17.012 8.889 15.677 625 H LYS 634 H LYS 634 -14.034 3.231 18.567 626 HA LYS 634 HA LYS 634 -13.103 3.040 21.252 627 1HB LYS 634 HB2 LYS 634 -14.629 1.445 20.088 628 2HB LYS 634 HB3 LYS 634 -13.258 0.830 19.154 629 1HG LYS 634 HG2 LYS 634 -12.152 0.074 21.223 630 2HG LYS 634 HG3 LYS 634 -13.454 0.786 22.199 631 1HD LYS 634 HD2 LYS 634 -15.090 -0.749 21.161 632 2HD LYS 634 HD3 LYS 634 -13.806 -1.452 20.151 633 1HE LYS 634 HE2 LYS 634 -12.596 -2.183 22.182 634 2HE LYS 634 HE3 LYS 634 -13.840 -1.452 23.205 635 1HZ LYS 634 HZ1 LYS 634 -14.210 -3.839 22.919 636 2HZ LYS 634 HZ2 LYS 634 -15.453 -3.010 22.263 637 3HZ LYS 634 HZ3 LYS 634 -14.318 -3.683 21.298 638 H VAL 635 H VAL 635 -11.347 2.293 18.223 639 HA VAL 635 HA VAL 635 -8.842 1.625 19.469 640 HB VAL 635 HB VAL 635 -9.505 2.618 16.672 641 1HG1 VAL 635 HG11 VAL 635 -7.169 3.229 17.065 642 2HG1 VAL 635 HG12 VAL 635 -6.835 1.633 17.774 643 3HG1 VAL 635 HG13 VAL 635 -7.222 1.793 16.045 644 1HG2 VAL 635 HG21 VAL 635 -9.054 0.262 16.070 645 2HG2 VAL 635 HG22 VAL 635 -8.690 -0.116 17.768 646 3HG2 VAL 635 HG23 VAL 635 -10.329 0.338 17.294 647 H GLU 636 H GLU 636 -9.933 4.791 18.036 648 HA GLU 636 HA GLU 636 -7.625 6.245 18.658 649 1HB GLU 636 HB2 GLU 636 -9.536 6.969 17.239 650 2HB GLU 636 HB3 GLU 636 -10.507 7.250 18.665 651 1HG GLU 636 HG2 GLU 636 -7.811 8.613 18.437 652 2HG GLU 636 HG3 GLU 636 -9.101 9.146 17.377 653 H GLY 637 H GLY 637 -10.480 5.732 20.756 654 1HA GLY 637 HA2 GLY 637 -9.542 7.181 23.021 655 2HA GLY 637 HA3 GLY 637 -10.764 5.903 23.019 656 H ASP 638 H ASP 638 -8.851 3.808 21.994 657 HA ASP 638 HA ASP 638 -7.781 3.046 24.618 658 1HB ASP 638 HB2 ASP 638 -8.868 1.455 22.995 659 2HB ASP 638 HB3 ASP 638 -7.471 1.650 21.931 660 H MET 639 H MET 639 -6.481 4.192 21.512 661 HA MET 639 HA MET 639 -3.664 3.929 22.185 662 1HB MET 639 HB2 MET 639 -5.063 5.807 20.242 663 2HB MET 639 HB3 MET 639 -3.332 5.472 20.287 664 1HG MET 639 HG2 MET 639 -5.508 3.442 19.641 665 2HG MET 639 HG3 MET 639 -4.526 4.273 18.477 666 1HE MET 639 HE1 MET 639 -4.334 1.774 21.655 667 2HE MET 639 HE2 MET 639 -5.198 1.126 20.242 668 3HE MET 639 HE3 MET 639 -3.646 0.420 20.740 669 H TYR 640 H TYR 640 -6.072 6.538 22.522 670 HA TYR 640 HA TYR 640 -4.395 8.531 23.701 671 1HB TYR 640 HB2 TYR 640 -6.587 8.849 22.661 672 2HB TYR 640 HB3 TYR 640 -7.370 7.946 23.928 673 HD1 TYR 640 HD1 TYR 640 -5.510 11.082 23.150 674 HD2 TYR 640 HD2 TYR 640 -7.981 9.004 26.011 675 HE1 TYR 640 HE1 TYR 640 -5.874 13.215 24.372 676 HE2 TYR 640 HE2 TYR 640 -8.376 11.150 27.218 677 HH TYR 640 HH TYR 640 -6.965 14.252 26.111 678 H GLU 641 H GLU 641 -6.557 6.087 25.297 679 HA GLU 641 HA GLU 641 -5.849 6.844 27.952 680 1HB GLU 641 HB2 GLU 641 -7.090 4.376 26.706 681 2HB GLU 641 HB3 GLU 641 -6.765 4.450 28.430 682 1HG GLU 641 HG2 GLU 641 -8.426 6.568 27.006 683 2HG GLU 641 HG3 GLU 641 -9.111 5.107 27.708 684 H SER 642 H SER 642 -4.016 4.870 25.703 685 HA SER 642 HA SER 642 -2.502 3.622 27.935 686 1HB SER 642 HB2 SER 642 -1.640 2.147 26.194 687 2HB SER 642 HB3 SER 642 -3.400 2.101 26.327 688 HG SER 642 HG SER 642 -3.605 3.110 24.455 689 H ALA 643 H ALA 643 -1.915 5.944 25.302 690 HA ALA 643 HA ALA 643 0.881 5.766 25.240 691 1HB ALA 643 HB1 ALA 643 -0.949 8.124 24.689 692 2HB ALA 643 HB2 ALA 643 0.737 7.971 24.148 693 3HB ALA 643 HB3 ALA 643 -0.500 6.857 23.534 694 H ASN 644 H ASN 644 2.484 6.472 26.489 695 HA ASN 644 HA ASN 644 1.951 7.968 28.971 696 1HB ASN 644 HB2 ASN 644 4.318 7.623 29.463 697 2HB ASN 644 HB3 ASN 644 3.542 6.123 28.983 698 1HD2 ASN 644 HD22 ASN 644 4.969 4.913 27.817 699 2HD2 ASN 644 HD21 ASN 644 5.793 5.542 26.414 700 H SER 645 H SER 645 2.560 9.002 25.771 701 HA SER 645 HA SER 645 2.801 11.774 26.718 702 1HB SER 645 HB2 SER 645 4.739 12.354 25.532 703 2HB SER 645 HB3 SER 645 5.165 10.858 26.371 704 HG SER 645 HG SER 645 5.853 10.693 24.261 705 H ARG 646 H ARG 646 2.495 13.348 25.014 706 HA ARG 646 HA ARG 646 0.295 12.824 23.264 707 1HB ARG 646 HB2 ARG 646 1.048 14.986 24.382 708 2HB ARG 646 HB3 ARG 646 2.310 15.107 23.156 709 1HG ARG 646 HG2 ARG 646 0.522 15.190 21.383 710 2HG ARG 646 HG3 ARG 646 -0.708 15.096 22.668 711 1HD ARG 646 HD2 ARG 646 0.352 17.097 23.764 712 2HD ARG 646 HD3 ARG 646 1.439 17.259 22.397 713 HE ARG 646 HE ARG 646 -1.433 17.939 22.526 714 1HH1 ARG 646 HH11 ARG 646 1.257 17.542 20.298 715 2HH1 ARG 646 HH12 ARG 646 0.571 18.695 19.171 716 1HH2 ARG 646 HH21 ARG 646 -2.106 19.461 21.203 717 2HH2 ARG 646 HH22 ARG 646 -1.217 19.840 19.727 718 H ASP 647 H ASP 647 3.776 12.913 22.672 719 HA ASP 647 HA ASP 647 3.666 12.671 19.782 720 1HB ASP 647 HB2 ASP 647 5.615 13.551 21.035 721 2HB ASP 647 HB3 ASP 647 5.854 11.976 21.788 722 H GLU 648 H GLU 648 4.047 10.297 22.478 723 HA GLU 648 HA GLU 648 4.164 7.972 20.802 724 1HB GLU 648 HB2 GLU 648 4.885 8.122 23.201 725 2HB GLU 648 HB3 GLU 648 3.178 8.161 23.674 726 1HG GLU 648 HG2 GLU 648 2.855 5.940 22.586 727 2HG GLU 648 HG3 GLU 648 4.552 5.936 22.094 728 H TYR 649 H TYR 649 1.410 9.738 22.246 729 HA TYR 649 HA TYR 649 -0.687 7.990 21.472 730 1HB TYR 649 HB2 TYR 649 -1.264 9.625 22.986 731 2HB TYR 649 HB3 TYR 649 -0.398 10.888 22.154 732 HD1 TYR 649 HD1 TYR 649 -3.342 8.597 21.572 733 HD2 TYR 649 HD2 TYR 649 -1.599 12.508 21.031 734 HE1 TYR 649 HE1 TYR 649 -5.502 9.442 20.637 735 HE2 TYR 649 HE2 TYR 649 -3.728 13.335 20.083 736 HH TYR 649 HH TYR 649 -5.913 12.849 19.636 737 H TYR 650 H TYR 650 0.325 10.980 19.627 738 HA TYR 650 HA TYR 650 -0.995 10.301 17.213 739 1HB TYR 650 HB2 TYR 650 1.540 11.859 17.852 740 2HB TYR 650 HB3 TYR 650 1.227 11.419 16.198 741 HD1 TYR 650 HD1 TYR 650 0.606 13.937 18.578 742 HD2 TYR 650 HD2 TYR 650 -1.151 11.844 15.252 743 HE1 TYR 650 HE1 TYR 650 -0.835 15.925 18.088 744 HE2 TYR 650 HE2 TYR 650 -2.606 13.815 14.767 745 HH TYR 650 HH TYR 650 -2.401 16.825 16.688 746 H HIS 651 H HIS 651 2.310 9.219 18.184 747 HA HIS 651 HA HIS 651 2.872 7.773 15.804 748 1HB HIS 651 HB2 HIS 651 4.583 8.279 17.438 749 2HB HIS 651 HB3 HIS 651 3.765 7.316 18.666 750 HD1 HIS 651 HD1 HIS 651 5.557 6.686 15.243 751 HD2 HIS 651 HD2 HIS 651 4.441 4.815 18.864 752 HE1 HIS 651 HE1 HIS 651 6.609 4.374 15.215 753 H LEU 652 H LEU 652 1.191 6.625 18.776 754 HA LEU 652 HA LEU 652 0.699 3.964 17.809 755 1HB LEU 652 HB2 LEU 652 -0.485 5.721 19.983 756 2HB LEU 652 HB3 LEU 652 -1.163 4.146 19.635 757 HG LEU 652 HG LEU 652 1.770 4.530 20.347 758 1HD1 LEU 652 HD11 LEU 652 -0.582 3.725 22.118 759 2HD1 LEU 652 HD12 LEU 652 1.135 3.718 22.590 760 3HD1 LEU 652 HD13 LEU 652 0.335 5.245 22.204 761 1HD2 LEU 652 HD21 LEU 652 1.649 2.106 20.872 762 2HD2 LEU 652 HD22 LEU 652 -0.024 2.062 20.275 763 3HD2 LEU 652 HD23 LEU 652 1.321 2.411 19.166 764 H LEU 653 H LEU 653 -1.373 6.931 17.661 765 HA LEU 653 HA LEU 653 -3.554 5.715 16.258 766 1HB LEU 653 HB2 LEU 653 -2.404 8.536 16.048 767 2HB LEU 653 HB3 LEU 653 -3.876 8.014 15.259 768 HG LEU 653 HG LEU 653 -3.436 8.292 18.249 769 1HD1 LEU 653 HD11 LEU 653 -3.784 10.386 17.045 770 2HD1 LEU 653 HD12 LEU 653 -5.210 9.716 16.220 771 3HD1 LEU 653 HD13 LEU 653 -5.241 9.986 17.967 772 1HD2 LEU 653 HD21 LEU 653 -5.975 7.393 16.827 773 2HD2 LEU 653 HD22 LEU 653 -4.930 6.341 17.805 774 3HD2 LEU 653 HD23 LEU 653 -5.750 7.696 18.569 775 H ALA 654 H ALA 654 -0.578 7.235 14.937 776 HA ALA 654 HA ALA 654 -1.264 6.692 12.219 777 1HB ALA 654 HB1 ALA 654 0.263 8.518 12.956 778 2HB ALA 654 HB2 ALA 654 1.441 7.304 13.499 779 3HB ALA 654 HB3 ALA 654 1.033 7.439 11.775 780 H GLU 655 H GLU 655 0.735 4.797 14.518 781 HA GLU 655 HA GLU 655 1.471 2.734 12.673 782 1HB GLU 655 HB2 GLU 655 2.444 3.065 14.953 783 2HB GLU 655 HB3 GLU 655 0.909 2.546 15.664 784 1HG GLU 655 HG2 GLU 655 1.189 0.330 14.473 785 2HG GLU 655 HG3 GLU 655 2.761 0.888 13.895 786 H LYS 656 H LYS 656 -1.471 3.112 14.742 787 HA LYS 656 HA LYS 656 -2.726 0.662 13.810 788 1HB LYS 656 HB2 LYS 656 -3.560 3.063 15.413 789 2HB LYS 656 HB3 LYS 656 -4.828 2.151 14.608 790 1HG LYS 656 HG2 LYS 656 -4.502 1.386 16.869 791 2HG LYS 656 HG3 LYS 656 -4.259 0.131 15.668 792 1HD LYS 656 HD2 LYS 656 -1.904 1.510 16.984 793 2HD LYS 656 HD3 LYS 656 -2.787 0.177 17.738 794 1HE LYS 656 HE2 LYS 656 -2.350 -1.234 15.723 795 2HE LYS 656 HE3 LYS 656 -1.270 0.030 15.113 796 1HZ LYS 656 HZ1 LYS 656 0.161 -0.285 17.019 797 2HZ LYS 656 HZ2 LYS 656 -0.912 -1.288 17.754 798 3HZ LYS 656 HZ3 LYS 656 -0.134 -1.755 16.401 799 H ILE 657 H ILE 657 -3.003 4.028 12.575 800 HA ILE 657 HA ILE 657 -4.779 3.428 10.421 801 HB ILE 657 HB ILE 657 -2.442 5.397 10.539 802 1HG1 ILE 657 HG12 ILE 657 -5.400 5.567 11.012 803 2HG1 ILE 657 HG13 ILE 657 -4.056 6.340 11.871 804 1HG2 ILE 657 HG21 ILE 657 -3.346 6.305 8.344 805 2HG2 ILE 657 HG22 ILE 657 -2.590 4.753 8.217 806 3HG2 ILE 657 HG23 ILE 657 -4.348 4.825 8.270 807 1HD1 ILE 657 HD11 ILE 657 -3.793 7.914 9.930 808 2HD1 ILE 657 HD12 ILE 657 -5.296 7.235 9.255 809 3HD1 ILE 657 HD13 ILE 657 -5.322 8.059 10.811 810 H TYR 658 H TYR 658 -1.156 3.210 10.461 811 HA TYR 658 HA TYR 658 -1.181 2.326 7.791 812 1HB TYR 658 HB2 TYR 658 0.669 3.422 9.312 813 2HB TYR 658 HB3 TYR 658 1.118 1.786 9.656 814 HD1 TYR 658 HD1 TYR 658 -0.019 1.659 6.219 815 HD2 TYR 658 HD2 TYR 658 3.174 3.281 8.665 816 HE1 TYR 658 HE1 TYR 658 1.396 1.840 4.243 817 HE2 TYR 658 HE2 TYR 658 4.561 3.436 6.664 818 HH TYR 658 HH TYR 658 3.475 2.261 3.448 819 H LYS 659 H LYS 659 -0.881 0.444 10.845 820 HA LYS 659 HA LYS 659 -0.385 -2.108 9.774 821 1HB LYS 659 HB2 LYS 659 -0.330 -1.735 12.136 822 2HB LYS 659 HB3 LYS 659 -2.026 -1.260 12.205 823 1HG LYS 659 HG2 LYS 659 -1.359 -3.966 11.064 824 2HG LYS 659 HG3 LYS 659 -1.139 -3.753 12.799 825 1HD LYS 659 HD2 LYS 659 -3.345 -3.905 13.230 826 2HD LYS 659 HD3 LYS 659 -3.749 -2.712 12.011 827 1HE LYS 659 HE2 LYS 659 -4.892 -4.714 11.421 828 2HE LYS 659 HE3 LYS 659 -3.613 -4.456 10.236 829 1HZ LYS 659 HZ1 LYS 659 -3.533 -6.406 12.477 830 2HZ LYS 659 HZ2 LYS 659 -3.656 -6.730 10.866 831 3HZ LYS 659 HZ3 LYS 659 -2.274 -6.117 11.462 832 H ILE 660 H ILE 660 -3.593 -0.550 10.179 833 HA ILE 660 HA ILE 660 -5.102 -2.645 8.927 834 HB ILE 660 HB ILE 660 -5.544 0.350 9.165 835 1HG1 ILE 660 HG12 ILE 660 -6.997 -1.892 10.617 836 2HG1 ILE 660 HG13 ILE 660 -5.487 -1.228 11.226 837 1HG2 ILE 660 HG21 ILE 660 -8.026 -0.388 8.677 838 2HG2 ILE 660 HG22 ILE 660 -6.928 -0.049 7.341 839 3HG2 ILE 660 HG23 ILE 660 -7.294 -1.731 7.819 840 1HD1 ILE 660 HD11 ILE 660 -8.091 0.254 10.914 841 2HD1 ILE 660 HD12 ILE 660 -7.179 -0.077 12.386 842 3HD1 ILE 660 HD13 ILE 660 -6.547 1.076 11.200 843 H GLN 661 H GLN 661 -3.503 0.229 7.495 844 HA GLN 661 HA GLN 661 -4.642 -0.367 4.896 845 1HB GLN 661 HB2 GLN 661 -4.286 1.922 5.665 846 2HB GLN 661 HB3 GLN 661 -2.538 1.679 5.669 847 1HG GLN 661 HG2 GLN 661 -3.329 2.904 3.663 848 2HG GLN 661 HG3 GLN 661 -2.505 1.398 3.252 849 1HE2 GLN 661 HE22 GLN 661 -5.998 2.404 3.965 850 2HE2 GLN 661 HE21 GLN 661 -6.588 1.473 2.604 851 H LYS 662 H LYS 662 -1.176 -0.638 6.044 852 HA LYS 662 HA LYS 662 -0.424 -1.731 3.446 853 1HB LYS 662 HB2 LYS 662 1.765 -2.030 4.186 854 2HB LYS 662 HB3 LYS 662 1.185 -0.439 4.625 855 1HG LYS 662 HG2 LYS 662 0.896 -1.260 6.994 856 2HG LYS 662 HG3 LYS 662 1.619 -2.787 6.511 857 1HD LYS 662 HD2 LYS 662 2.994 -0.028 6.356 858 2HD LYS 662 HD3 LYS 662 3.213 -1.241 7.621 859 1HE LYS 662 HE2 LYS 662 4.056 -2.868 5.945 860 2HE LYS 662 HE3 LYS 662 3.844 -1.663 4.666 861 1HZ LYS 662 HZ1 LYS 662 5.655 -1.350 7.001 862 2HZ LYS 662 HZ2 LYS 662 6.131 -1.712 5.482 863 3HZ LYS 662 HZ3 LYS 662 5.462 -0.255 5.797 864 H GLU 663 H GLU 663 -1.869 -3.192 6.199 865 HA GLU 663 HA GLU 663 -1.186 -5.927 5.342 866 1HB GLU 663 HB2 GLU 663 -1.731 -5.371 7.687 867 2HB GLU 663 HB3 GLU 663 -3.391 -4.966 7.208 868 1HG GLU 663 HG2 GLU 663 -3.860 -7.242 6.606 869 2HG GLU 663 HG3 GLU 663 -2.150 -7.688 6.654 870 H LEU 664 H LEU 664 -4.064 -3.724 4.986 871 HA LEU 664 HA LEU 664 -5.513 -5.461 3.228 872 1HB LEU 664 HB2 LEU 664 -5.592 -2.576 4.003 873 2HB LEU 664 HB3 LEU 664 -6.227 -2.942 2.409 874 HG LEU 664 HG LEU 664 -7.780 -4.567 3.278 875 1HD1 LEU 664 HD11 LEU 664 -6.595 -5.415 5.291 876 2HD1 LEU 664 HD12 LEU 664 -6.847 -3.843 6.083 877 3HD1 LEU 664 HD13 LEU 664 -8.233 -4.857 5.665 878 1HD2 LEU 664 HD21 LEU 664 -7.859 -1.927 4.788 879 2HD2 LEU 664 HD22 LEU 664 -8.514 -2.253 3.164 880 3HD2 LEU 664 HD23 LEU 664 -9.217 -3.050 4.587 881 H GLU 665 H GLU 665 -2.962 -3.060 2.467 882 HA GLU 665 HA GLU 665 -2.942 -3.373 -0.335 883 1HB GLU 665 HB2 GLU 665 -1.653 -1.728 1.041 884 2HB GLU 665 HB3 GLU 665 -0.529 -3.020 1.480 885 1HG GLU 665 HG2 GLU 665 0.147 -3.279 -0.861 886 2HG GLU 665 HG3 GLU 665 -1.099 -2.137 -1.380 887 H GLU 666 H GLU 666 -2.002 -5.761 2.058 888 HA GLU 666 HA GLU 666 -0.849 -7.557 -0.025 889 1HB GLU 666 HB2 GLU 666 0.309 -7.365 2.165 890 2HB GLU 666 HB3 GLU 666 -1.151 -7.921 2.986 891 1HG GLU 666 HG2 GLU 666 -1.030 -10.068 1.746 892 2HG GLU 666 HG3 GLU 666 0.458 -9.521 0.960 893 H LYS 667 H LYS 667 -3.576 -7.473 2.305 894 HA LYS 667 HA LYS 667 -4.701 -9.960 1.337 895 1HB LYS 667 HB2 LYS 667 -6.142 -7.806 2.930 896 2HB LYS 667 HB3 LYS 667 -6.625 -9.484 2.731 897 1HG LYS 667 HG2 LYS 667 -4.423 -8.352 4.429 898 2HG LYS 667 HG3 LYS 667 -5.729 -9.435 4.863 899 1HD LYS 667 HD2 LYS 667 -4.580 -11.279 3.588 900 2HD LYS 667 HD3 LYS 667 -3.241 -10.158 3.252 901 1HE LYS 667 HE2 LYS 667 -3.075 -9.795 5.781 902 2HE LYS 667 HE3 LYS 667 -4.169 -11.174 5.959 903 1HZ LYS 667 HZ1 LYS 667 -1.469 -11.193 4.692 904 2HZ LYS 667 HZ2 LYS 667 -1.890 -11.918 6.089 905 3HZ LYS 667 HZ3 LYS 667 -2.486 -12.486 4.677 906 H ARG 668 H ARG 668 -4.851 -6.908 -0.112 907 HA ARG 668 HA ARG 668 -6.987 -7.851 -2.015 908 1HB ARG 668 HB2 ARG 668 -5.888 -5.048 -1.570 909 2HB ARG 668 HB3 ARG 668 -7.174 -5.480 -2.684 910 1HG ARG 668 HG2 ARG 668 -7.383 -5.717 0.354 911 2HG ARG 668 HG3 ARG 668 -7.952 -4.372 -0.618 912 1HD ARG 668 HD2 ARG 668 -9.849 -5.681 -0.150 913 2HD ARG 668 HD3 ARG 668 -9.471 -5.935 -1.858 914 HE ARG 668 HE ARG 668 -8.227 -7.942 -0.181 915 1HH1 ARG 668 HH12 ARG 668 -11.438 -7.287 -1.429 916 2HH1 ARG 668 HH11 ARG 668 -11.700 -8.974 -1.800 917 1HH2 ARG 668 HH21 ARG 668 -8.640 -9.979 -0.552 918 2HH2 ARG 668 HH22 ARG 668 -10.180 -10.496 -1.204 919 H ARG 669 H ARG 669 -3.832 -8.251 -1.803 920 HA ARG 669 HA ARG 669 -3.399 -8.082 -4.777 921 1HB ARG 669 HB2 ARG 669 -2.210 -6.338 -3.440 922 2HB ARG 669 HB3 ARG 669 -1.364 -7.618 -2.559 923 1HG ARG 669 HG2 ARG 669 -0.265 -8.348 -4.643 924 2HG ARG 669 HG3 ARG 669 -1.198 -7.154 -5.571 925 1HD ARG 669 HD2 ARG 669 -0.123 -5.327 -4.242 926 2HD ARG 669 HD3 ARG 669 0.781 -6.534 -3.333 927 HE ARG 669 HE ARG 669 2.196 -6.917 -5.147 928 1HH1 ARG 669 HH21 ARG 669 -0.322 -4.722 -6.217 929 2HH1 ARG 669 HH22 ARG 669 0.507 -4.359 -7.706 930 1HH2 ARG 669 HH11 ARG 669 3.184 -6.419 -7.067 931 2HH2 ARG 669 HH12 ARG 669 2.436 -5.301 -8.169 932 H SER 670 H SER 670 -3.127 -10.052 -1.916 933 HA SER 670 HA SER 670 -1.442 -12.124 -2.956 934 1HB SER 670 HB2 SER 670 -3.474 -12.189 -0.695 935 2HB SER 670 HB3 SER 670 -2.261 -13.439 -1.039 936 HG SER 670 HG SER 670 -1.826 -10.725 -0.314 937 H ARG 671 H ARG 671 -2.370 -12.403 -5.100 938 HA ARG 671 HA ARG 671 -4.911 -13.696 -5.567 939 1HB ARG 671 HB2 ARG 671 -2.345 -13.631 -7.217 940 2HB ARG 671 HB3 ARG 671 -3.888 -14.277 -7.787 941 1HG ARG 671 HG2 ARG 671 -4.960 -12.064 -7.472 942 2HG ARG 671 HG3 ARG 671 -3.407 -11.387 -6.941 943 1HD ARG 671 HD2 ARG 671 -2.389 -11.987 -9.107 944 2HD ARG 671 HD3 ARG 671 -3.937 -12.666 -9.654 945 HE ARG 671 HE ARG 671 -4.509 -10.040 -8.883 946 1HH1 ARG 671 HH11 ARG 671 -2.450 -11.490 -11.318 947 2HH1 ARG 671 HH12 ARG 671 -2.574 -10.111 -12.377 948 1HH2 ARG 671 HH22 ARG 671 -4.635 -8.319 -10.288 949 2HH2 ARG 671 HH21 ARG 671 -3.781 -8.369 -11.803 950 H LEU 672 H LEU 672 -1.914 -15.009 -4.452 951 HA LEU 672 HA LEU 672 -2.145 -17.731 -5.286 952 1HB LEU 672 HB2 LEU 672 -0.121 -16.414 -4.446 953 2HB LEU 672 HB3 LEU 672 -0.707 -16.678 -2.809 954 HG LEU 672 HG LEU 672 -0.013 -18.899 -4.790 955 1HD1 LEU 672 HD11 LEU 672 2.091 -19.104 -3.528 956 2HD1 LEU 672 HD12 LEU 672 1.949 -17.502 -4.264 957 3HD1 LEU 672 HD13 LEU 672 1.640 -17.706 -2.524 958 1HD2 LEU 672 HD21 LEU 672 -1.448 -19.764 -3.014 959 2HD2 LEU 672 HD22 LEU 672 0.203 -20.297 -2.724 960 3HD2 LEU 672 HD23 LEU 672 -0.467 -18.952 -1.772 961 1H SER 839 H1 SER 839 -6.578 -2.140 26.297 962 2H SER 839 H2 SER 839 -5.209 -2.346 25.416 963 3H SER 839 H3 SER 839 -6.386 -1.322 24.895 964 HA SER 839 HA SER 839 -7.924 -3.128 24.572 965 1HB SER 839 HB2 SER 839 -5.241 -3.343 23.161 966 2HB SER 839 HB3 SER 839 -6.610 -4.396 22.778 967 HG SER 839 HG SER 839 -6.528 -1.550 22.613 968 H ASP 840 H ASP 840 -8.637 -4.913 25.569 969 HA ASP 840 HA ASP 840 -6.959 -6.626 27.188 970 1HB ASP 840 HB2 ASP 840 -9.359 -6.134 27.613 971 2HB ASP 840 HB3 ASP 840 -9.793 -7.003 26.141 972 H ALA 841 H ALA 841 -8.130 -6.813 23.863 973 HA ALA 841 HA ALA 841 -6.248 -8.951 23.187 974 1HB ALA 841 HB1 ALA 841 -8.272 -10.203 23.934 975 2HB ALA 841 HB2 ALA 841 -9.260 -9.294 22.770 976 3HB ALA 841 HB3 ALA 841 -7.993 -10.401 22.198 977 H GLY 842 H GLY 842 -6.374 -9.360 20.735 978 1HA GLY 842 HA2 GLY 842 -5.966 -6.973 19.276 979 2HA GLY 842 HA3 GLY 842 -6.185 -8.574 18.579 980 H ASN 843 H ASN 843 -7.460 -5.494 18.791 981 HA ASN 843 HA ASN 843 -10.031 -6.286 17.494 982 1HB ASN 843 HB2 ASN 843 -11.261 -4.751 18.893 983 2HB ASN 843 HB3 ASN 843 -10.374 -5.859 19.932 984 1HD2 ASN 843 HD22 ASN 843 -8.445 -5.032 21.057 985 2HD2 ASN 843 HD21 ASN 843 -8.251 -3.294 21.279 986 H ILE 844 H ILE 844 -7.271 -4.773 16.853 987 HA ILE 844 HA ILE 844 -7.972 -2.136 16.014 988 HB ILE 844 HB ILE 844 -5.687 -3.971 15.199 989 1HG1 ILE 844 HG12 ILE 844 -5.556 -3.614 17.565 990 2HG1 ILE 844 HG13 ILE 844 -4.340 -2.614 16.808 991 1HG2 ILE 844 HG21 ILE 844 -4.452 -1.858 14.628 992 2HG2 ILE 844 HG22 ILE 844 -5.764 -2.261 13.525 993 3HG2 ILE 844 HG23 ILE 844 -6.003 -0.987 14.733 994 1HD1 ILE 844 HD11 ILE 844 -5.966 -0.634 17.054 995 2HD1 ILE 844 HD12 ILE 844 -6.968 -1.716 18.048 996 3HD1 ILE 844 HD13 ILE 844 -5.322 -1.318 18.557 997 H LEU 845 H LEU 845 -8.519 -5.166 14.408 998 HA LEU 845 HA LEU 845 -9.986 -3.777 12.244 999 1HB LEU 845 HB2 LEU 845 -7.735 -3.983 11.381 1000 2HB LEU 845 HB3 LEU 845 -7.710 -5.714 11.705 1001 HG LEU 845 HG LEU 845 -9.393 -6.106 10.001 1002 1HD1 LEU 845 HD11 LEU 845 -10.195 -4.305 8.477 1003 2HD1 LEU 845 HD12 LEU 845 -10.763 -4.032 10.131 1004 3HD1 LEU 845 HD13 LEU 845 -9.381 -3.104 9.491 1005 1HD2 LEU 845 HD21 LEU 845 -8.084 -5.397 8.030 1006 2HD2 LEU 845 HD22 LEU 845 -7.196 -4.231 9.026 1007 3HD2 LEU 845 HD23 LEU 845 -7.031 -5.978 9.324 1008 HA PRO 846 HA PRO 846 -12.250 -6.826 14.832 1009 1HB PRO 846 HB2 PRO 846 -14.381 -5.459 13.164 1010 2HB PRO 846 HB3 PRO 846 -14.494 -5.958 14.871 1011 1HG PRO 846 HG2 PRO 846 -13.926 -3.439 14.377 1012 2HG PRO 846 HG3 PRO 846 -12.877 -4.316 15.546 1013 1HD PRO 846 HD2 PRO 846 -12.386 -3.798 12.606 1014 2HD PRO 846 HD3 PRO 846 -11.280 -3.548 13.991 1015 H SER 847 H SER 847 -11.615 -7.658 11.748 1016 HA SER 847 HA SER 847 -12.133 -9.282 10.276 1017 1HB SER 847 HB2 SER 847 -13.564 -10.647 12.563 1018 2HB SER 847 HB3 SER 847 -13.037 -11.386 11.047 1019 HG SER 847 HG SER 847 -11.538 -11.684 12.794 1020 H ASP 848 H ASP 848 -15.197 -8.687 12.096 1021 HA ASP 848 HA ASP 848 -16.933 -9.260 9.855 1022 1HB ASP 848 HB2 ASP 848 -17.658 -9.323 12.211 1023 2HB ASP 848 HB3 ASP 848 -17.377 -7.590 12.365 1024 H ILE 849 H ILE 849 -15.713 -6.156 11.212 1025 HA ILE 849 HA ILE 849 -16.693 -4.551 8.991 1026 HB ILE 849 HB ILE 849 -14.658 -3.971 11.172 1027 1HG1 ILE 849 HG12 ILE 849 -16.434 -2.141 11.644 1028 2HG1 ILE 849 HG13 ILE 849 -17.500 -3.014 10.560 1029 1HG2 ILE 849 HG21 ILE 849 -13.887 -2.720 9.249 1030 2HG2 ILE 849 HG22 ILE 849 -15.551 -2.209 8.852 1031 3HG2 ILE 849 HG23 ILE 849 -14.744 -1.601 10.297 1032 1HD1 ILE 849 HD11 ILE 849 -16.254 -4.146 13.109 1033 2HD1 ILE 849 HD12 ILE 849 -17.867 -3.446 12.992 1034 3HD1 ILE 849 HD13 ILE 849 -17.505 -4.933 12.109 1035 H MET 850 H MET 850 -13.671 -6.381 9.587 1036 HA MET 850 HA MET 850 -12.141 -5.290 7.468 1037 1HB MET 850 HB2 MET 850 -11.296 -6.879 9.213 1038 2HB MET 850 HB3 MET 850 -12.103 -8.195 8.358 1039 1HG MET 850 HG2 MET 850 -10.751 -7.876 6.388 1040 2HG MET 850 HG3 MET 850 -10.014 -6.421 7.049 1041 1HE MET 850 HE1 MET 850 -8.172 -8.732 5.844 1042 2HE MET 850 HE2 MET 850 -7.617 -7.212 6.582 1043 3HE MET 850 HE3 MET 850 -6.922 -8.758 7.107 1044 H ASP 851 H ASP 851 -14.376 -8.140 7.337 1045 HA ASP 851 HA ASP 851 -14.127 -8.701 4.592 1046 1HB ASP 851 HB2 ASP 851 -15.286 -10.109 6.250 1047 2HB ASP 851 HB3 ASP 851 -16.574 -8.912 6.389 1048 H PHE 852 H PHE 852 -16.283 -6.305 6.140 1049 HA PHE 852 HA PHE 852 -17.568 -5.356 3.750 1050 1HB PHE 852 HB2 PHE 852 -18.677 -4.817 5.695 1051 2HB PHE 852 HB3 PHE 852 -17.230 -4.445 6.588 1052 HD1 PHE 852 HD1 PHE 852 -16.353 -2.239 6.749 1053 HD2 PHE 852 HD2 PHE 852 -19.590 -3.092 4.039 1054 HE1 PHE 852 HE1 PHE 852 -16.762 0.196 6.482 1055 HE2 PHE 852 HE2 PHE 852 -19.956 -0.656 3.719 1056 HZ PHE 852 HZ PHE 852 -18.568 0.993 4.972 1057 H VAL 853 H VAL 853 -14.606 -4.125 5.451 1058 HA VAL 853 HA VAL 853 -14.085 -2.068 3.491 1059 HB VAL 853 HB VAL 853 -12.068 -3.455 5.332 1060 1HG1 VAL 853 HG11 VAL 853 -10.739 -1.386 5.063 1061 2HG1 VAL 853 HG12 VAL 853 -10.988 -2.149 3.482 1062 3HG1 VAL 853 HG13 VAL 853 -11.937 -0.732 3.929 1063 1HG2 VAL 853 HG21 VAL 853 -12.332 -1.508 6.782 1064 2HG2 VAL 853 HG22 VAL 853 -13.608 -0.851 5.725 1065 3HG2 VAL 853 HG23 VAL 853 -13.873 -2.348 6.628 1066 H LEU 854 H LEU 854 -12.947 -5.484 3.692 1067 HA LEU 854 HA LEU 854 -11.209 -5.356 1.449 1068 1HB LEU 854 HB2 LEU 854 -12.778 -7.791 2.410 1069 2HB LEU 854 HB3 LEU 854 -11.430 -7.786 1.296 1070 HG LEU 854 HG LEU 854 -11.410 -7.595 4.260 1071 1HD1 LEU 854 HD11 LEU 854 -11.007 -9.698 3.060 1072 2HD1 LEU 854 HD12 LEU 854 -9.593 -8.966 2.267 1073 3HD1 LEU 854 HD13 LEU 854 -9.617 -9.188 4.029 1074 1HD2 LEU 854 HD21 LEU 854 -10.148 -5.564 3.684 1075 2HD2 LEU 854 HD22 LEU 854 -9.100 -6.827 4.321 1076 3HD2 LEU 854 HD23 LEU 854 -9.140 -6.515 2.560 1077 H LYS 855 H LYS 855 -14.706 -6.019 1.574 1078 HA LYS 855 HA LYS 855 -14.942 -6.658 -1.268 1079 1HB LYS 855 HB2 LYS 855 -16.890 -6.089 0.988 1080 2HB LYS 855 HB3 LYS 855 -17.450 -6.270 -0.677 1081 1HG LYS 855 HG2 LYS 855 -16.542 -8.499 -0.863 1082 2HG LYS 855 HG3 LYS 855 -15.718 -8.363 0.699 1083 1HD LYS 855 HD2 LYS 855 -17.858 -8.188 1.861 1084 2HD LYS 855 HD3 LYS 855 -18.745 -8.292 0.321 1085 1HE LYS 855 HE2 LYS 855 -17.969 -10.541 -0.079 1086 2HE LYS 855 HE3 LYS 855 -16.777 -10.429 1.225 1087 1HZ LYS 855 HZ1 LYS 855 -19.706 -10.376 1.682 1088 2HZ LYS 855 HZ2 LYS 855 -18.739 -11.678 1.918 1089 3HZ LYS 855 HZ3 LYS 855 -18.525 -10.341 2.832 1090 H ASN 856 H ASN 856 -15.470 -3.689 0.636 1091 HA ASN 856 HA ASN 856 -16.572 -2.243 -1.656 1092 1HB ASN 856 HB2 ASN 856 -15.887 -1.477 1.198 1093 2HB ASN 856 HB3 ASN 856 -16.353 -0.315 -0.028 1094 1HD2 ASN 856 HD22 ASN 856 -17.533 -3.006 1.890 1095 2HD2 ASN 856 HD21 ASN 856 -19.231 -2.758 1.464 1096 H THR 857 H THR 857 -13.307 -2.297 -0.165 1097 HA THR 857 HA THR 857 -12.547 0.153 -1.443 1098 HB THR 857 HB THR 857 -10.212 -0.429 -0.739 1099 HG1 THR 857 HG1 THR 857 -11.469 -2.507 0.695 1100 1HG2 THR 857 HG21 THR 857 -11.604 0.965 0.625 1101 2HG2 THR 857 HG22 THR 857 -12.472 -0.420 1.307 1102 3HG2 THR 857 HG23 THR 857 -10.747 -0.164 1.686 1103 HA PRO 858 HA PRO 858 -10.051 -2.109 -4.733 1104 1HB PRO 858 HB2 PRO 858 -10.414 -4.668 -5.466 1105 2HB PRO 858 HB3 PRO 858 -9.577 -4.267 -3.940 1106 1HG PRO 858 HG2 PRO 858 -12.526 -4.956 -4.284 1107 2HG PRO 858 HG3 PRO 858 -11.345 -5.730 -3.186 1108 1HD PRO 858 HD2 PRO 858 -12.985 -3.718 -2.381 1109 2HD PRO 858 HD3 PRO 858 -11.311 -3.852 -1.760 1110 H SER 859 H SER 859 -10.353 -2.588 -7.050 1111 HA SER 859 HA SER 859 -12.711 -1.471 -8.201 1112 1HB SER 859 HB2 SER 859 -10.446 -2.979 -9.561 1113 2HB SER 859 HB3 SER 859 -11.563 -1.827 -10.318 1114 HG SER 859 HG SER 859 -9.566 -0.845 -9.787 1115 H MET 860 H MET 860 -13.245 -4.065 -6.781 1116 HA MET 860 HA MET 860 -14.633 -5.584 -8.932 1117 1HB MET 860 HB2 MET 860 -13.783 -7.712 -8.077 1118 2HB MET 860 HB3 MET 860 -12.483 -6.684 -8.670 1119 1HG MET 860 HG2 MET 860 -11.901 -6.030 -6.386 1120 2HG MET 860 HG3 MET 860 -13.213 -7.004 -5.727 1121 1HE MET 860 HE1 MET 860 -13.070 -9.797 -7.274 1122 2HE MET 860 HE2 MET 860 -11.997 -10.649 -6.146 1123 3HE MET 860 HE3 MET 860 -13.245 -9.549 -5.521 1124 H GLN 861 H GLN 861 -15.674 -3.741 -7.042 1125 HA GLN 861 HA GLN 861 -16.675 -4.674 -4.642 1126 1HB GLN 861 HB2 GLN 861 -18.045 -2.807 -6.615 1127 2HB GLN 861 HB3 GLN 861 -18.455 -2.978 -4.903 1128 1HG GLN 861 HG2 GLN 861 -16.156 -2.230 -4.293 1129 2HG GLN 861 HG3 GLN 861 -15.796 -1.955 -5.999 1130 1HE2 GLN 861 HE22 GLN 861 -15.972 -0.019 -3.653 1131 2HE2 GLN 861 HE21 GLN 861 -17.116 1.200 -4.229 1132 H ALA 862 H ALA 862 -18.111 -6.095 -3.956 1133 HA ALA 862 HA ALA 862 -20.513 -6.841 -5.452 1134 1HB ALA 862 HB1 ALA 862 -18.344 -8.895 -4.783 1135 2HB ALA 862 HB2 ALA 862 -19.959 -9.265 -5.428 1136 3HB ALA 862 HB3 ALA 862 -18.799 -8.362 -6.415 1137 H LEU 863 H LEU 863 -21.931 -8.239 -4.144 1138 HA LEU 863 HA LEU 863 -21.328 -8.608 -1.297 1139 1HB LEU 863 HB2 LEU 863 -22.081 -6.252 -1.396 1140 2HB LEU 863 HB3 LEU 863 -23.565 -6.742 -2.207 1141 HG LEU 863 HG LEU 863 -24.295 -7.963 -0.184 1142 1HD1 LEU 863 HD11 LEU 863 -23.053 -7.641 1.958 1143 2HD1 LEU 863 HD12 LEU 863 -22.153 -8.628 0.807 1144 3HD1 LEU 863 HD13 LEU 863 -21.703 -6.922 1.050 1145 1HD2 LEU 863 HD21 LEU 863 -23.386 -5.116 0.405 1146 2HD2 LEU 863 HD22 LEU 863 -24.864 -5.576 -0.470 1147 3HD2 LEU 863 HD23 LEU 863 -24.680 -6.004 1.239 1148 H GLY 864 H GLY 864 -24.002 -8.693 -3.729 1149 1HA GLY 864 HA2 GLY 864 -24.387 -11.399 -3.886 1150 2HA GLY 864 HA3 GLY 864 -25.342 -10.949 -2.471 1151 H GLU 865 H GLU 865 -26.822 -12.029 -4.268 1152 HA GLU 865 HA GLU 865 -27.915 -10.331 -6.332 1153 1HB GLU 865 HB2 GLU 865 -28.053 -12.834 -6.254 1154 2HB GLU 865 HB3 GLU 865 -29.132 -12.714 -4.865 1155 1HG GLU 865 HG2 GLU 865 -30.406 -13.158 -6.872 1156 2HG GLU 865 HG3 GLU 865 -30.823 -11.567 -6.267 1157 H SER 866 H SER 866 -29.833 -9.103 -6.352 1158 HA SER 866 HA SER 866 -30.504 -7.589 -4.046 1159 1HB SER 866 HB2 SER 866 -32.051 -8.013 -6.623 1160 2HB SER 866 HB3 SER 866 -32.411 -6.775 -5.403 1161 HG SER 866 HG SER 866 -31.079 -5.977 -7.114 1162 HA PRO 867 HA PRO 867 -33.364 -10.432 -1.939 1163 1HB PRO 867 HB2 PRO 867 -34.425 -7.812 -0.874 1164 2HB PRO 867 HB3 PRO 867 -34.082 -9.334 0.009 1165 1HG PRO 867 HG2 PRO 867 -32.340 -7.262 0.130 1166 2HG PRO 867 HG3 PRO 867 -31.728 -8.937 -0.077 1167 1HD PRO 867 HD2 PRO 867 -32.101 -6.800 -2.187 1168 2HD PRO 867 HD3 PRO 867 -30.734 -7.929 -1.938 1169 H GLU 868 H GLU 868 -35.470 -11.145 -2.254 1170 HA GLU 868 HA GLU 868 -37.001 -10.001 -4.467 1171 1HB GLU 868 HB2 GLU 868 -37.565 -12.348 -2.610 1172 2HB GLU 868 HB3 GLU 868 -38.530 -11.911 -4.027 1173 1HG GLU 868 HG2 GLU 868 -36.494 -12.181 -5.466 1174 2HG GLU 868 HG3 GLU 868 -35.603 -12.760 -4.057 1175 H SER 869 H SER 869 -37.065 -9.512 -1.072 1176 HA SER 869 HA SER 869 -39.641 -8.015 -1.142 1177 1HB SER 869 HB2 SER 869 -38.918 -10.167 0.892 1178 2HB SER 869 HB3 SER 869 -40.274 -9.035 1.036 1179 HG SER 869 HG SER 869 -40.920 -11.064 0.111 Start of MODEL 11 1 1H LYS 291 H1 LYS 291 12.031 1.310 0.037 2 2H LYS 291 H2 LYS 291 10.709 1.051 -0.895 3 3H LYS 291 H3 LYS 291 11.558 2.436 -1.049 4 HA LYS 291 HA LYS 291 9.515 2.865 0.175 5 1HB LYS 291 HB2 LYS 291 10.705 0.920 2.202 6 2HB LYS 291 HB3 LYS 291 9.298 1.934 2.463 7 1HG LYS 291 HG2 LYS 291 7.985 0.747 0.812 8 2HG LYS 291 HG3 LYS 291 9.386 -0.188 0.284 9 1HD LYS 291 HD2 LYS 291 7.997 -1.580 1.676 10 2HD LYS 291 HD3 LYS 291 9.536 -1.283 2.491 11 1HE LYS 291 HE2 LYS 291 8.443 0.475 3.890 12 2HE LYS 291 HE3 LYS 291 6.909 0.166 3.059 13 1HZ LYS 291 HZ1 LYS 291 6.967 -2.102 3.947 14 2HZ LYS 291 HZ2 LYS 291 8.384 -1.816 4.710 15 3HZ LYS 291 HZ3 LYS 291 7.034 -1.016 5.170 16 H GLU 292 H GLU 292 9.892 4.943 0.813 17 HA GLU 292 HA GLU 292 11.507 5.340 3.190 18 1HB GLU 292 HB2 GLU 292 13.271 5.486 1.449 19 2HB GLU 292 HB3 GLU 292 12.394 6.781 0.644 20 1HG GLU 292 HG2 GLU 292 12.686 8.230 2.624 21 2HG GLU 292 HG3 GLU 292 13.414 6.894 3.519 22 H LYS 293 H LYS 293 10.533 7.688 0.632 23 HA LYS 293 HA LYS 293 9.629 9.629 2.456 24 1HB LYS 293 HB2 LYS 293 10.310 10.084 0.143 25 2HB LYS 293 HB3 LYS 293 8.872 9.265 -0.478 26 1HG LYS 293 HG2 LYS 293 7.412 10.956 0.538 27 2HG LYS 293 HG3 LYS 293 8.800 11.721 1.335 28 1HD LYS 293 HD2 LYS 293 9.779 12.276 -0.850 29 2HD LYS 293 HD3 LYS 293 8.439 11.495 -1.694 30 1HE LYS 293 HE2 LYS 293 8.069 13.817 0.256 31 2HE LYS 293 HE3 LYS 293 8.389 14.054 -1.463 32 1HZ LYS 293 HZ1 LYS 293 6.000 12.649 -0.349 33 2HZ LYS 293 HZ2 LYS 293 6.029 14.104 -1.070 34 3HZ LYS 293 HZ3 LYS 293 6.357 12.770 -1.944 35 H ARG 294 H ARG 294 7.496 7.490 0.533 36 HA ARG 294 HA ARG 294 5.075 8.516 1.551 37 1HB ARG 294 HB2 ARG 294 5.346 7.124 -0.475 38 2HB ARG 294 HB3 ARG 294 5.604 5.688 0.512 39 1HG ARG 294 HG2 ARG 294 3.094 7.343 0.927 40 2HG ARG 294 HG3 ARG 294 3.226 6.351 -0.519 41 1HD ARG 294 HD2 ARG 294 3.533 4.324 0.800 42 2HD ARG 294 HD3 ARG 294 3.493 5.225 2.309 43 HE ARG 294 HE ARG 294 1.175 5.919 1.782 44 1HH1 ARG 294 HH11 ARG 294 2.272 3.089 0.006 45 2HH1 ARG 294 HH12 ARG 294 0.665 2.370 0.037 46 1HH2 ARG 294 HH22 ARG 294 -0.853 5.032 1.520 47 2HH2 ARG 294 HH21 ARG 294 -1.005 3.461 0.746 48 H ILE 295 H ILE 295 7.186 6.123 3.047 49 HA ILE 295 HA ILE 295 5.240 5.126 4.952 50 HB ILE 295 HB ILE 295 8.284 5.146 5.065 51 1HG1 ILE 295 HG12 ILE 295 7.866 3.884 3.193 52 2HG1 ILE 295 HG13 ILE 295 7.954 2.674 4.450 53 1HG2 ILE 295 HG21 ILE 295 7.847 3.168 6.669 54 2HG2 ILE 295 HG22 ILE 295 7.626 4.808 7.273 55 3HG2 ILE 295 HG23 ILE 295 6.210 3.857 6.833 56 1HD1 ILE 295 HD11 ILE 295 6.169 2.109 2.924 57 2HD1 ILE 295 HD12 ILE 295 5.399 2.624 4.439 58 3HD1 ILE 295 HD13 ILE 295 5.450 3.712 3.044 59 H LYS 296 H LYS 296 7.857 7.575 5.255 60 HA LYS 296 HA LYS 296 7.005 8.488 7.869 61 1HB LYS 296 HB2 LYS 296 9.272 8.875 6.896 62 2HB LYS 296 HB3 LYS 296 8.567 9.972 5.696 63 1HG LYS 296 HG2 LYS 296 7.816 11.491 7.494 64 2HG LYS 296 HG3 LYS 296 8.400 10.354 8.724 65 1HD LYS 296 HD2 LYS 296 10.717 10.647 7.912 66 2HD LYS 296 HD3 LYS 296 10.143 11.759 6.649 67 1HE LYS 296 HE2 LYS 296 9.271 13.294 8.390 68 2HE LYS 296 HE3 LYS 296 9.810 12.184 9.655 69 1HZ LYS 296 HZ1 LYS 296 11.610 13.554 7.725 70 2HZ LYS 296 HZ2 LYS 296 11.418 13.973 9.289 71 3HZ LYS 296 HZ3 LYS 296 12.100 12.541 8.911 72 H GLU 297 H GLU 297 6.197 9.563 4.561 73 HA GLU 297 HA GLU 297 4.521 11.750 5.143 74 1HB GLU 297 HB2 GLU 297 5.387 10.875 2.912 75 2HB GLU 297 HB3 GLU 297 4.093 9.685 2.965 76 1HG GLU 297 HG2 GLU 297 2.419 11.513 2.983 77 2HG GLU 297 HG3 GLU 297 3.746 12.685 2.963 78 H LEU 298 H LEU 298 3.504 8.272 4.941 79 HA LEU 298 HA LEU 298 0.784 8.784 5.684 80 1HB LEU 298 HB2 LEU 298 1.561 6.708 4.555 81 2HB LEU 298 HB3 LEU 298 2.483 6.275 5.995 82 HG LEU 298 HG LEU 298 0.294 6.215 7.301 83 1HD1 LEU 298 HD11 LEU 298 -0.925 6.437 4.514 84 2HD1 LEU 298 HD12 LEU 298 -1.799 5.979 5.991 85 3HD1 LEU 298 HD13 LEU 298 -1.123 7.602 5.844 86 1HD2 LEU 298 HD21 LEU 298 0.546 4.340 4.935 87 2HD2 LEU 298 HD22 LEU 298 1.342 4.194 6.526 88 3HD2 LEU 298 HD23 LEU 298 -0.422 4.071 6.410 89 H GLU 299 H GLU 299 3.656 7.858 7.685 90 HA GLU 299 HA GLU 299 2.101 7.613 10.062 91 1HB GLU 299 HB2 GLU 299 4.470 6.677 9.578 92 2HB GLU 299 HB3 GLU 299 5.060 8.290 10.039 93 1HG GLU 299 HG2 GLU 299 3.712 8.046 12.203 94 2HG GLU 299 HG3 GLU 299 3.395 6.375 11.742 95 H LEU 300 H LEU 300 3.979 10.323 8.738 96 HA LEU 300 HA LEU 300 3.540 12.204 10.863 97 1HB LEU 300 HB2 LEU 300 5.436 12.159 9.218 98 2HB LEU 300 HB3 LEU 300 4.300 12.585 7.937 99 HG LEU 300 HG LEU 300 3.897 14.778 9.062 100 1HD1 LEU 300 HD11 LEU 300 4.500 14.212 11.388 101 2HD1 LEU 300 HD12 LEU 300 6.171 13.874 10.894 102 3HD1 LEU 300 HD13 LEU 300 5.515 15.525 10.796 103 1HD2 LEU 300 HD21 LEU 300 5.567 14.530 7.266 104 2HD2 LEU 300 HD22 LEU 300 6.074 15.742 8.452 105 3HD2 LEU 300 HD23 LEU 300 6.813 14.124 8.468 106 H LEU 301 H LEU 301 1.630 11.350 7.994 107 HA LEU 301 HA LEU 301 0.135 13.605 7.526 108 1HB LEU 301 HB2 LEU 301 -0.056 10.786 6.946 109 2HB LEU 301 HB3 LEU 301 -1.649 11.309 7.423 110 HG LEU 301 HG LEU 301 0.037 12.608 5.236 111 1HD1 LEU 301 HD11 LEU 301 -0.647 10.321 4.634 112 2HD1 LEU 301 HD12 LEU 301 -2.332 10.672 5.075 113 3HD1 LEU 301 HD13 LEU 301 -1.573 11.498 3.695 114 1HD2 LEU 301 HD21 LEU 301 -1.642 14.169 6.224 115 2HD2 LEU 301 HD22 LEU 301 -2.111 13.687 4.589 116 3HD2 LEU 301 HD23 LEU 301 -2.913 12.950 5.993 117 H LEU 302 H LEU 302 -0.510 11.238 10.083 118 HA LEU 302 HA LEU 302 -2.838 12.575 11.206 119 1HB LEU 302 HB2 LEU 302 -0.976 10.325 11.944 120 2HB LEU 302 HB3 LEU 302 -1.944 11.009 13.235 121 HG LEU 302 HG LEU 302 -3.280 10.118 10.692 122 1HD1 LEU 302 HD11 LEU 302 -3.775 8.050 12.077 123 2HD1 LEU 302 HD12 LEU 302 -2.103 8.197 11.507 124 3HD1 LEU 302 HD13 LEU 302 -2.521 8.571 13.206 125 1HD2 LEU 302 HD21 LEU 302 -4.581 11.563 12.292 126 2HD2 LEU 302 HD22 LEU 302 -5.227 9.917 12.163 127 3HD2 LEU 302 HD23 LEU 302 -4.253 10.372 13.572 128 H MET 303 H MET 303 0.596 12.445 12.237 129 HA MET 303 HA MET 303 0.341 14.130 14.469 130 1HB MET 303 HB2 MET 303 2.191 12.542 13.804 131 2HB MET 303 HB3 MET 303 2.812 13.819 12.755 132 1HG MET 303 HG2 MET 303 2.996 15.308 14.760 133 2HG MET 303 HG3 MET 303 2.421 13.982 15.772 134 1HE MET 303 HE1 MET 303 5.407 11.405 15.554 135 2HE MET 303 HE2 MET 303 3.747 11.694 16.117 136 3HE MET 303 HE3 MET 303 4.073 11.422 14.385 137 H SER 304 H SER 304 0.897 15.077 11.085 138 HA SER 304 HA SER 304 1.450 17.836 11.437 139 1HB SER 304 HB2 SER 304 0.127 16.291 9.176 140 2HB SER 304 HB3 SER 304 0.470 18.035 9.092 141 HG SER 304 HG SER 304 2.189 16.810 8.228 142 H THR 305 H THR 305 -1.598 16.239 11.973 143 HA THR 305 HA THR 305 -3.462 18.157 11.146 144 HB THR 305 HB THR 305 -3.699 16.352 13.575 145 HG1 THR 305 HG1 THR 305 -3.306 15.048 11.960 146 1HG2 THR 305 HG21 THR 305 -6.126 16.338 12.867 147 2HG2 THR 305 HG22 THR 305 -5.574 17.835 13.577 148 3HG2 THR 305 HG23 THR 305 -5.771 17.716 11.810 149 H GLU 306 H GLU 306 -1.376 18.449 13.996 150 HA GLU 306 HA GLU 306 -2.801 20.378 15.488 151 1HB GLU 306 HB2 GLU 306 0.189 20.245 14.917 152 2HB GLU 306 HB3 GLU 306 -0.577 21.241 16.160 153 1HG GLU 306 HG2 GLU 306 -1.549 19.104 17.146 154 2HG GLU 306 HG3 GLU 306 -0.500 18.207 16.038 155 H ASN 307 H ASN 307 -1.191 20.813 12.375 156 HA ASN 307 HA ASN 307 -1.352 23.733 12.342 157 1HB ASN 307 HB2 ASN 307 -1.035 21.683 10.094 158 2HB ASN 307 HB3 ASN 307 -0.831 23.423 9.930 159 1HD2 ASN 307 HD22 ASN 307 0.676 20.469 10.965 160 2HD2 ASN 307 HD21 ASN 307 2.226 21.204 11.383 161 H GLU 308 H GLU 308 -3.474 21.065 11.276 162 HA GLU 308 HA GLU 308 -5.255 22.733 9.704 163 1HB GLU 308 HB2 GLU 308 -5.533 19.890 10.756 164 2HB GLU 308 HB3 GLU 308 -6.709 20.699 9.707 165 1HG GLU 308 HG2 GLU 308 -4.865 21.098 8.034 166 2HG GLU 308 HG3 GLU 308 -3.794 20.114 9.037 167 H LEU 309 H LEU 309 -5.207 21.792 13.123 168 HA LEU 309 HA LEU 309 -7.841 22.777 13.764 169 1HB LEU 309 HB2 LEU 309 -5.317 22.198 15.311 170 2HB LEU 309 HB3 LEU 309 -6.574 23.126 16.095 171 HG LEU 309 HG LEU 309 -6.622 20.696 16.596 172 1HD1 LEU 309 HD11 LEU 309 -8.639 22.053 16.923 173 2HD1 LEU 309 HD12 LEU 309 -9.153 21.715 15.252 174 3HD1 LEU 309 HD13 LEU 309 -9.027 20.396 16.427 175 1HD2 LEU 309 HD21 LEU 309 -7.689 20.342 13.763 176 2HD2 LEU 309 HD22 LEU 309 -6.090 19.834 14.347 177 3HD2 LEU 309 HD23 LEU 309 -7.556 19.102 15.017 178 H LYS 310 H LYS 310 -5.188 24.515 12.624 179 HA LYS 310 HA LYS 310 -6.606 27.073 13.169 180 1HB LYS 310 HB2 LYS 310 -4.524 26.587 14.659 181 2HB LYS 310 HB3 LYS 310 -3.572 26.897 13.208 182 1HG LYS 310 HG2 LYS 310 -4.585 29.185 13.069 183 2HG LYS 310 HG3 LYS 310 -5.571 28.836 14.490 184 1HD LYS 310 HD2 LYS 310 -2.518 28.852 14.444 185 2HD LYS 310 HD3 LYS 310 -3.529 30.219 14.937 186 1HE LYS 310 HE2 LYS 310 -4.528 28.848 16.748 187 2HE LYS 310 HE3 LYS 310 -3.514 27.478 16.281 188 1HZ LYS 310 HZ1 LYS 310 -1.555 28.821 16.814 189 2HZ LYS 310 HZ2 LYS 310 -2.487 30.093 17.244 190 3HZ LYS 310 HZ3 LYS 310 -2.529 28.717 18.118 191 H GLY 311 H GLY 311 -6.473 25.139 10.879 192 1HA GLY 311 HA2 GLY 311 -6.170 26.943 8.635 193 2HA GLY 311 HA3 GLY 311 -4.746 25.912 8.822 194 H GLN 312 H GLN 312 -8.196 25.127 9.371 195 HA GLN 312 HA GLN 312 -7.985 22.550 8.230 196 1HB GLN 312 HB2 GLN 312 -10.365 22.368 8.615 197 2HB GLN 312 HB3 GLN 312 -9.588 23.150 9.982 198 1HG GLN 312 HG2 GLN 312 -10.351 25.378 9.124 199 2HG GLN 312 HG3 GLN 312 -11.184 24.569 7.798 200 1HE2 GLN 312 HE22 GLN 312 -11.882 26.045 10.629 201 2HE2 GLN 312 HE21 GLN 312 -13.240 25.051 11.139 202 H GLN 313 H GLN 313 -9.301 21.604 6.548 203 HA GLN 313 HA GLN 313 -9.774 23.302 4.136 204 1HB GLN 313 HB2 GLN 313 -8.586 21.699 2.764 205 2HB GLN 313 HB3 GLN 313 -7.530 22.302 4.039 206 1HG GLN 313 HG2 GLN 313 -7.978 20.209 5.359 207 2HG GLN 313 HG3 GLN 313 -8.936 19.586 4.018 208 1HE2 GLN 313 HE22 GLN 313 -6.095 19.037 5.396 209 2HE2 GLN 313 HE21 GLN 313 -5.111 18.713 3.958 210 H ALA 314 H ALA 314 -11.477 21.687 6.226 211 HA ALA 314 HA ALA 314 -12.799 19.607 4.722 212 1HB ALA 314 HB1 ALA 314 -12.481 19.589 7.178 213 2HB ALA 314 HB2 ALA 314 -13.530 21.020 7.327 214 3HB ALA 314 HB3 ALA 314 -14.196 19.478 6.750 215 H LEU 315 H LEU 315 -13.088 22.888 4.291 216 HA LEU 315 HA LEU 315 -15.804 22.791 3.166 217 1HB LEU 315 HB2 LEU 315 -16.657 24.587 4.413 218 2HB LEU 315 HB3 LEU 315 -16.036 23.443 5.585 219 HG LEU 315 HG LEU 315 -14.698 26.064 4.749 220 1HD1 LEU 315 HD11 LEU 315 -16.785 26.348 6.026 221 2HD1 LEU 315 HD12 LEU 315 -16.167 25.267 7.294 222 3HD1 LEU 315 HD13 LEU 315 -15.376 26.828 6.980 223 1HD2 LEU 315 HD21 LEU 315 -12.952 24.548 5.515 224 2HD2 LEU 315 HD22 LEU 315 -13.290 25.707 6.795 225 3HD2 LEU 315 HD23 LEU 315 -13.937 24.055 6.917 226 1H GLY 586 H1 GLY 586 -10.747 8.281 39.194 227 2H GLY 586 H2 GLY 586 -11.809 9.419 39.704 228 3H GLY 586 H3 GLY 586 -11.828 8.918 38.144 229 1HA GLY 586 HA2 GLY 586 -10.805 11.095 38.309 230 2HA GLY 586 HA3 GLY 586 -9.630 10.397 39.438 231 H VAL 587 H VAL 587 -8.117 11.307 37.819 232 HA VAL 587 HA VAL 587 -7.369 9.312 35.731 233 HB VAL 587 HB VAL 587 -7.555 12.326 35.287 234 1HG1 VAL 587 HG11 VAL 587 -6.467 10.140 33.452 235 2HG1 VAL 587 HG12 VAL 587 -6.792 11.819 32.969 236 3HG1 VAL 587 HG13 VAL 587 -5.548 11.497 34.163 237 1HG2 VAL 587 HG21 VAL 587 -9.009 10.009 33.936 238 2HG2 VAL 587 HG22 VAL 587 -9.739 11.243 34.990 239 3HG2 VAL 587 HG23 VAL 587 -9.084 11.711 33.424 240 H ARG 588 H ARG 588 -5.246 8.877 35.741 241 HA ARG 588 HA ARG 588 -3.476 10.334 37.646 242 1HB ARG 588 HB2 ARG 588 -3.962 7.915 37.919 243 2HB ARG 588 HB3 ARG 588 -3.179 7.588 36.370 244 1HG ARG 588 HG2 ARG 588 -1.017 8.280 37.246 245 2HG ARG 588 HG3 ARG 588 -1.766 8.960 38.700 246 1HD ARG 588 HD2 ARG 588 -0.699 6.827 39.211 247 2HD ARG 588 HD3 ARG 588 -2.451 6.742 39.444 248 HE ARG 588 HE ARG 588 -1.460 5.838 36.811 249 1HH1 ARG 588 HH11 ARG 588 -2.300 4.737 40.031 250 2HH1 ARG 588 HH12 ARG 588 -2.598 3.107 39.493 251 1HH2 ARG 588 HH21 ARG 588 -1.869 3.743 36.194 252 2HH2 ARG 588 HH22 ARG 588 -2.352 2.566 37.379 253 H LYS 589 H LYS 589 -3.785 9.861 34.229 254 HA LYS 589 HA LYS 589 -1.105 10.659 33.429 255 1HB LYS 589 HB2 LYS 589 -3.817 10.560 32.050 256 2HB LYS 589 HB3 LYS 589 -2.421 11.304 31.270 257 1HG LYS 589 HG2 LYS 589 -1.112 9.213 31.578 258 2HG LYS 589 HG3 LYS 589 -2.549 8.406 32.224 259 1HD LYS 589 HD2 LYS 589 -2.550 9.788 29.519 260 2HD LYS 589 HD3 LYS 589 -1.964 8.127 29.695 261 1HE LYS 589 HE2 LYS 589 -4.033 7.266 30.149 262 2HE LYS 589 HE3 LYS 589 -4.646 8.781 30.834 263 1HZ LYS 589 HZ1 LYS 589 -4.200 8.330 27.924 264 2HZ LYS 589 HZ2 LYS 589 -5.651 8.343 28.700 265 3HZ LYS 589 HZ3 LYS 589 -4.748 9.716 28.629 266 H GLY 590 H GLY 590 -0.596 12.629 32.304 267 1HA GLY 590 HA2 GLY 590 -1.918 15.136 33.235 268 2HA GLY 590 HA3 GLY 590 -0.260 14.797 33.745 269 H TRP 591 H TRP 591 -1.491 13.931 30.558 270 HA TRP 591 HA TRP 591 0.038 16.178 29.291 271 1HB TRP 591 HB2 TRP 591 0.565 14.707 27.455 272 2HB TRP 591 HB3 TRP 591 1.131 14.070 28.983 273 HD1 TRP 591 HD1 TRP 591 0.622 11.721 29.610 274 HE1 TRP 591 HE1 TRP 591 -0.482 9.726 28.401 275 HE3 TRP 591 HE3 TRP 591 -1.826 14.235 25.853 276 HZ2 TRP 591 HZ2 TRP 591 -2.150 9.276 26.155 277 HZ3 TRP 591 HZ3 TRP 591 -3.116 12.956 24.158 278 HH2 TRP 591 HH2 TRP 591 -3.259 10.494 24.274 279 H HIS 592 H HIS 592 -3.051 15.143 29.831 280 HA HIS 592 HA HIS 592 -4.295 15.342 27.256 281 1HB HIS 592 HB2 HIS 592 -5.412 15.724 30.062 282 2HB HIS 592 HB3 HIS 592 -6.361 15.473 28.602 283 HD1 HIS 592 HD1 HIS 592 -7.261 13.397 30.268 284 HD2 HIS 592 HD2 HIS 592 -3.414 13.051 28.566 285 HE1 HIS 592 HE1 HIS 592 -6.629 10.935 30.404 286 H GLU 593 H GLU 593 -3.289 17.730 29.590 287 HA GLU 593 HA GLU 593 -4.734 20.036 28.816 288 1HB GLU 593 HB2 GLU 593 -1.924 19.625 29.934 289 2HB GLU 593 HB3 GLU 593 -2.691 21.195 29.767 290 1HG GLU 593 HG2 GLU 593 -2.893 20.449 32.048 291 2HG GLU 593 HG3 GLU 593 -4.479 20.589 31.295 292 H HIS 594 H HIS 594 -2.237 18.355 27.035 293 HA HIS 594 HA HIS 594 -1.681 20.655 25.252 294 1HB HIS 594 HB2 HIS 594 -0.670 17.791 25.149 295 2HB HIS 594 HB3 HIS 594 -0.051 19.162 24.228 296 HD1 HIS 594 HD1 HIS 594 0.845 21.286 26.081 297 HD2 HIS 594 HD2 HIS 594 0.747 17.244 27.232 298 HE1 HIS 594 HE1 HIS 594 2.393 21.084 28.096 299 H VAL 595 H VAL 595 -4.282 18.771 25.488 300 HA VAL 595 HA VAL 595 -4.784 18.458 22.553 301 HB VAL 595 HB VAL 595 -5.402 16.434 24.755 302 1HG1 VAL 595 HG11 VAL 595 -5.891 16.310 21.751 303 2HG1 VAL 595 HG12 VAL 595 -5.928 14.907 22.825 304 3HG1 VAL 595 HG13 VAL 595 -7.101 16.192 23.058 305 1HG2 VAL 595 HG21 VAL 595 -3.012 16.378 24.260 306 2HG2 VAL 595 HG22 VAL 595 -3.784 14.979 23.532 307 3HG2 VAL 595 HG23 VAL 595 -3.342 16.361 22.509 308 H THR 596 H THR 596 -7.114 18.298 22.027 309 HA THR 596 HA THR 596 -9.056 19.233 24.028 310 HB THR 596 HB THR 596 -8.147 21.332 23.153 311 HG1 THR 596 HG1 THR 596 -10.124 22.200 22.623 312 1HG2 THR 596 HG21 THR 596 -9.188 20.462 20.419 313 2HG2 THR 596 HG22 THR 596 -8.528 22.051 20.849 314 3HG2 THR 596 HG23 THR 596 -7.474 20.632 20.862 315 H GLN 597 H GLN 597 -11.283 19.048 23.265 316 HA GLN 597 HA GLN 597 -11.792 16.524 22.094 317 1HB GLN 597 HB2 GLN 597 -13.232 17.783 23.701 318 2HB GLN 597 HB3 GLN 597 -13.690 18.881 22.385 319 1HG GLN 597 HG2 GLN 597 -14.693 16.985 21.146 320 2HG GLN 597 HG3 GLN 597 -14.201 15.869 22.422 321 1HE2 GLN 597 HE22 GLN 597 -16.898 16.064 21.615 322 2HE2 GLN 597 HE21 GLN 597 -17.805 16.797 22.932 323 H ASP 598 H ASP 598 -11.763 19.745 20.541 324 HA ASP 598 HA ASP 598 -12.856 18.927 18.011 325 1HB ASP 598 HB2 ASP 598 -10.937 21.168 18.754 326 2HB ASP 598 HB3 ASP 598 -11.628 20.953 17.148 327 H LEU 599 H LEU 599 -9.542 18.731 19.325 328 HA LEU 599 HA LEU 599 -8.367 17.856 16.814 329 1HB LEU 599 HB2 LEU 599 -7.020 18.936 18.591 330 2HB LEU 599 HB3 LEU 599 -7.344 17.573 19.671 331 HG LEU 599 HG LEU 599 -6.112 16.046 18.220 332 1HD1 LEU 599 HD11 LEU 599 -4.775 16.893 16.320 333 2HD1 LEU 599 HD12 LEU 599 -6.495 17.041 15.994 334 3HD1 LEU 599 HD13 LEU 599 -5.547 18.478 16.470 335 1HD2 LEU 599 HD21 LEU 599 -4.550 18.604 18.775 336 2HD2 LEU 599 HD22 LEU 599 -4.876 17.310 19.947 337 3HD2 LEU 599 HD23 LEU 599 -3.862 16.983 18.535 338 H ARG 600 H ARG 600 -9.472 16.162 19.805 339 HA ARG 600 HA ARG 600 -9.029 13.477 18.978 340 1HB ARG 600 HB2 ARG 600 -11.439 14.499 20.545 341 2HB ARG 600 HB3 ARG 600 -10.842 12.853 20.525 342 1HG ARG 600 HG2 ARG 600 -9.298 15.231 21.642 343 2HG ARG 600 HG3 ARG 600 -10.318 14.177 22.594 344 1HD ARG 600 HD2 ARG 600 -7.871 13.277 21.022 345 2HD ARG 600 HD3 ARG 600 -7.862 13.680 22.735 346 HE ARG 600 HE ARG 600 -8.769 11.178 21.579 347 1HH1 ARG 600 HH11 ARG 600 -9.279 13.201 24.422 348 2HH1 ARG 600 HH12 ARG 600 -9.922 11.855 25.320 349 1HH2 ARG 600 HH22 ARG 600 -9.506 9.651 22.698 350 2HH2 ARG 600 HH21 ARG 600 -10.055 9.830 24.376 351 H SER 601 H SER 601 -11.906 15.480 18.393 352 HA SER 601 HA SER 601 -13.454 13.676 16.860 353 1HB SER 601 HB2 SER 601 -13.211 16.694 16.533 354 2HB SER 601 HB3 SER 601 -14.539 15.684 15.932 355 HG SER 601 HG SER 601 -13.830 16.204 18.640 356 H HIS 602 H HIS 602 -11.119 16.156 15.641 357 HA HIS 602 HA HIS 602 -11.438 15.378 12.895 358 1HB HIS 602 HB2 HIS 602 -10.704 17.596 13.678 359 2HB HIS 602 HB3 HIS 602 -9.201 16.907 14.260 360 HD1 HIS 602 HD1 HIS 602 -10.481 18.695 11.356 361 HD2 HIS 602 HD2 HIS 602 -7.915 15.416 11.929 362 HE1 HIS 602 HE1 HIS 602 -9.151 18.434 9.195 363 H LEU 603 H LEU 603 -9.050 14.337 15.412 364 HA LEU 603 HA LEU 603 -7.477 12.775 13.587 365 1HB LEU 603 HB2 LEU 603 -7.878 12.433 16.583 366 2HB LEU 603 HB3 LEU 603 -6.737 11.520 15.606 367 HG LEU 603 HG LEU 603 -6.622 14.423 16.403 368 1HD1 LEU 603 HD11 LEU 603 -5.500 12.663 17.740 369 2HD1 LEU 603 HD12 LEU 603 -4.508 12.254 16.328 370 3HD1 LEU 603 HD13 LEU 603 -4.389 13.865 17.078 371 1HD2 LEU 603 HD21 LEU 603 -5.026 13.246 14.106 372 2HD2 LEU 603 HD22 LEU 603 -6.258 14.527 13.999 373 3HD2 LEU 603 HD23 LEU 603 -4.777 14.831 14.887 374 H VAL 604 H VAL 604 -10.410 11.817 15.457 375 HA VAL 604 HA VAL 604 -10.514 9.135 14.443 376 HB VAL 604 HB VAL 604 -12.741 11.055 15.211 377 1HG1 VAL 604 HG11 VAL 604 -12.982 8.074 14.601 378 2HG1 VAL 604 HG12 VAL 604 -14.244 9.121 15.291 379 3HG1 VAL 604 HG13 VAL 604 -13.706 9.390 13.647 380 1HG2 VAL 604 HG21 VAL 604 -12.872 9.669 17.225 381 2HG2 VAL 604 HG22 VAL 604 -11.596 8.597 16.606 382 3HG2 VAL 604 HG23 VAL 604 -11.231 10.278 17.038 383 H HIS 605 H HIS 605 -11.874 12.163 13.005 384 HA HIS 605 HA HIS 605 -12.918 10.961 10.663 385 1HB HIS 605 HB2 HIS 605 -13.542 13.183 11.316 386 2HB HIS 605 HB3 HIS 605 -11.882 13.752 11.243 387 HD1 HIS 605 HD1 HIS 605 -14.594 12.540 8.740 388 HD2 HIS 605 HD2 HIS 605 -11.079 14.837 9.033 389 HE1 HIS 605 HE1 HIS 605 -14.296 13.683 6.480 390 H LYS 606 H LYS 606 -9.618 12.187 11.223 391 HA LYS 606 HA LYS 606 -8.666 11.496 8.566 392 1HB LYS 606 HB2 LYS 606 -7.644 13.255 9.962 393 2HB LYS 606 HB3 LYS 606 -7.058 12.021 11.093 394 1HG LYS 606 HG2 LYS 606 -5.699 10.998 9.363 395 2HG LYS 606 HG3 LYS 606 -6.386 12.028 8.108 396 1HD LYS 606 HD2 LYS 606 -4.827 13.187 10.455 397 2HD LYS 606 HD3 LYS 606 -4.032 12.496 9.044 398 1HE LYS 606 HE2 LYS 606 -4.029 14.617 8.357 399 2HE LYS 606 HE3 LYS 606 -5.584 14.147 7.668 400 1HZ LYS 606 HZ1 LYS 606 -5.512 16.301 8.928 401 2HZ LYS 606 HZ2 LYS 606 -6.664 15.303 9.520 402 3HZ LYS 606 HZ3 LYS 606 -5.215 15.493 10.295 403 H LEU 607 H LEU 607 -8.675 9.733 11.642 404 HA LEU 607 HA LEU 607 -7.198 7.453 10.818 405 1HB LEU 607 HB2 LEU 607 -8.410 8.236 13.167 406 2HB LEU 607 HB3 LEU 607 -9.568 7.053 12.628 407 HG LEU 607 HG LEU 607 -7.551 5.426 12.481 408 1HD1 LEU 607 HD11 LEU 607 -5.746 7.167 12.659 409 2HD1 LEU 607 HD12 LEU 607 -6.334 7.604 14.264 410 3HD1 LEU 607 HD13 LEU 607 -5.652 5.991 13.994 411 1HD2 LEU 607 HD21 LEU 607 -7.567 5.012 14.894 412 2HD2 LEU 607 HD22 LEU 607 -8.380 6.569 15.158 413 3HD2 LEU 607 HD23 LEU 607 -9.204 5.277 14.251 414 H VAL 608 H VAL 608 -10.720 8.039 10.762 415 HA VAL 608 HA VAL 608 -11.611 5.647 9.604 416 HB VAL 608 HB VAL 608 -12.739 8.458 9.643 417 1HG1 VAL 608 HG11 VAL 608 -14.936 7.473 9.014 418 2HG1 VAL 608 HG12 VAL 608 -13.785 7.436 7.682 419 3HG1 VAL 608 HG13 VAL 608 -14.108 5.951 8.611 420 1HG2 VAL 608 HG21 VAL 608 -14.226 7.516 11.328 421 2HG2 VAL 608 HG22 VAL 608 -13.601 5.877 11.030 422 3HG2 VAL 608 HG23 VAL 608 -12.571 7.108 11.777 423 H GLN 609 H GLN 609 -10.752 8.662 7.780 424 HA GLN 609 HA GLN 609 -11.443 7.441 5.267 425 1HB GLN 609 HB2 GLN 609 -10.268 9.316 4.222 426 2HB GLN 609 HB3 GLN 609 -11.487 9.804 5.413 427 1HG GLN 609 HG2 GLN 609 -9.418 10.001 6.960 428 2HG GLN 609 HG3 GLN 609 -8.454 9.980 5.489 429 1HE2 GLN 609 HE22 GLN 609 -10.901 11.730 7.367 430 2HE2 GLN 609 HE21 GLN 609 -10.812 13.236 6.468 431 H ALA 610 H ALA 610 -8.350 7.406 7.054 432 HA ALA 610 HA ALA 610 -6.873 6.260 4.829 433 1HB ALA 610 HB1 ALA 610 -6.372 6.214 7.833 434 2HB ALA 610 HB2 ALA 610 -5.228 5.669 6.582 435 3HB ALA 610 HB3 ALA 610 -5.712 7.378 6.663 436 H ILE 611 H ILE 611 -8.779 4.923 7.568 437 HA ILE 611 HA ILE 611 -8.206 2.151 7.107 438 HB ILE 611 HB ILE 611 -10.598 3.508 8.398 439 1HG1 ILE 611 HG12 ILE 611 -8.367 1.985 9.793 440 2HG1 ILE 611 HG13 ILE 611 -8.175 3.677 9.410 441 1HG2 ILE 611 HG21 ILE 611 -11.255 1.227 7.669 442 2HG2 ILE 611 HG22 ILE 611 -9.832 0.548 8.480 443 3HG2 ILE 611 HG23 ILE 611 -11.132 1.318 9.412 444 1HD1 ILE 611 HD11 ILE 611 -10.321 2.506 11.216 445 2HD1 ILE 611 HD12 ILE 611 -8.949 3.539 11.668 446 3HD1 ILE 611 HD13 ILE 611 -10.267 4.202 10.701 447 H PHE 612 H PHE 612 -11.066 4.121 6.027 448 HA PHE 612 HA PHE 612 -11.185 2.437 3.589 449 1HB PHE 612 HB2 PHE 612 -12.633 1.337 5.157 450 2HB PHE 612 HB3 PHE 612 -13.450 2.843 5.533 451 HD1 PHE 612 HD1 PHE 612 -12.631 1.921 1.963 452 HD2 PHE 612 HD2 PHE 612 -15.597 1.907 5.090 453 HE1 PHE 612 HE1 PHE 612 -14.414 1.547 0.278 454 HE2 PHE 612 HE2 PHE 612 -17.366 1.510 3.420 455 HZ PHE 612 HZ PHE 612 -16.784 1.315 1.024 456 HA PRO 613 HA PRO 613 -11.469 6.818 2.330 457 1HB PRO 613 HB2 PRO 613 -11.221 5.452 -0.350 458 2HB PRO 613 HB3 PRO 613 -10.399 6.928 0.243 459 1HG PRO 613 HG2 PRO 613 -9.073 4.572 0.172 460 2HG PRO 613 HG3 PRO 613 -8.920 5.632 1.612 461 1HD PRO 613 HD2 PRO 613 -10.703 3.212 1.239 462 2HD PRO 613 HD3 PRO 613 -9.654 3.626 2.626 463 H THR 614 H THR 614 -13.630 4.284 1.657 464 HA THR 614 HA THR 614 -15.655 3.964 0.883 465 HB THR 614 HB THR 614 -17.368 5.647 0.733 466 HG1 THR 614 HG1 THR 614 -15.213 7.369 0.944 467 1HG2 THR 614 HG21 THR 614 -17.469 6.185 3.057 468 2HG2 THR 614 HG22 THR 614 -16.747 4.580 2.896 469 3HG2 THR 614 HG23 THR 614 -15.706 5.981 3.238 470 HA PRO 615 HA PRO 615 -15.443 4.029 -3.474 471 1HB PRO 615 HB2 PRO 615 -17.969 3.253 -4.249 472 2HB PRO 615 HB3 PRO 615 -16.809 2.159 -3.434 473 1HG PRO 615 HG2 PRO 615 -19.027 3.743 -2.128 474 2HG PRO 615 HG3 PRO 615 -18.676 1.988 -1.982 475 1HD PRO 615 HD2 PRO 615 -17.731 3.669 -0.115 476 2HD PRO 615 HD3 PRO 615 -16.676 2.390 -0.782 477 H ASP 616 H ASP 616 -18.070 5.795 -1.949 478 HA ASP 616 HA ASP 616 -17.981 8.127 -3.726 479 1HB ASP 616 HB2 ASP 616 -20.352 6.233 -3.485 480 2HB ASP 616 HB3 ASP 616 -20.582 7.889 -3.933 481 HA PRO 617 HA PRO 617 -19.028 9.928 0.169 482 1HB PRO 617 HB2 PRO 617 -20.491 12.181 -0.434 483 2HB PRO 617 HB3 PRO 617 -18.741 12.003 -0.759 484 1HG PRO 617 HG2 PRO 617 -21.047 11.640 -2.676 485 2HG PRO 617 HG3 PRO 617 -19.492 12.485 -2.952 486 1HD PRO 617 HD2 PRO 617 -20.000 9.927 -3.790 487 2HD PRO 617 HD3 PRO 617 -18.363 10.428 -3.329 488 H ALA 618 H ALA 618 -21.720 8.925 -1.836 489 HA ALA 618 HA ALA 618 -23.810 9.066 0.124 490 1HB ALA 618 HB1 ALA 618 -23.349 7.118 -2.184 491 2HB ALA 618 HB2 ALA 618 -24.880 7.365 -1.319 492 3HB ALA 618 HB3 ALA 618 -24.192 8.682 -2.286 493 H ALA 619 H ALA 619 -21.124 6.748 -0.314 494 HA ALA 619 HA ALA 619 -22.248 4.689 1.375 495 1HB ALA 619 HB1 ALA 619 -20.635 4.213 -0.414 496 2HB ALA 619 HB2 ALA 619 -19.409 5.184 0.408 497 3HB ALA 619 HB3 ALA 619 -19.995 3.686 1.154 498 H LEU 620 H LEU 620 -20.497 7.649 2.140 499 HA LEU 620 HA LEU 620 -19.612 7.029 4.781 500 1HB LEU 620 HB2 LEU 620 -20.589 9.619 3.532 501 2HB LEU 620 HB3 LEU 620 -19.844 9.517 5.107 502 HG LEU 620 HG LEU 620 -18.408 8.629 2.576 503 1HD1 LEU 620 HD11 LEU 620 -18.970 11.033 2.447 504 2HD1 LEU 620 HD12 LEU 620 -18.243 11.295 4.047 505 3HD1 LEU 620 HD13 LEU 620 -17.231 10.783 2.675 506 1HD2 LEU 620 HD21 LEU 620 -17.509 7.735 4.755 507 2HD2 LEU 620 HD22 LEU 620 -16.392 8.844 3.952 508 3HD2 LEU 620 HD23 LEU 620 -17.352 9.398 5.343 509 H LYS 621 H LYS 621 -22.825 7.676 3.522 510 HA LYS 621 HA LYS 621 -24.063 8.197 6.107 511 1HB LYS 621 HB2 LYS 621 -24.759 9.067 3.780 512 2HB LYS 621 HB3 LYS 621 -25.368 7.455 3.454 513 1HG LYS 621 HG2 LYS 621 -27.158 8.978 4.084 514 2HG LYS 621 HG3 LYS 621 -27.027 7.648 5.218 515 1HD LYS 621 HD2 LYS 621 -27.496 9.765 6.357 516 2HD LYS 621 HD3 LYS 621 -25.942 9.116 6.877 517 1HE LYS 621 HE2 LYS 621 -24.778 10.670 5.301 518 2HE LYS 621 HE3 LYS 621 -26.344 11.300 4.775 519 1HZ LYS 621 HZ1 LYS 621 -26.721 12.072 7.060 520 2HZ LYS 621 HZ2 LYS 621 -25.270 11.497 7.542 521 3HZ LYS 621 HZ3 LYS 621 -25.348 12.722 6.469 522 H ASP 622 H ASP 622 -23.146 5.281 4.535 523 HA ASP 622 HA ASP 622 -25.341 3.596 5.218 524 1HB ASP 622 HB2 ASP 622 -23.515 3.186 3.507 525 2HB ASP 622 HB3 ASP 622 -22.444 2.754 4.843 526 H ARG 623 H ARG 623 -25.693 2.130 6.897 527 HA ARG 623 HA ARG 623 -24.887 2.965 9.534 528 1HB ARG 623 HB2 ARG 623 -26.140 0.285 8.804 529 2HB ARG 623 HB3 ARG 623 -26.202 1.126 10.351 530 1HG ARG 623 HG2 ARG 623 -27.661 1.782 7.781 531 2HG ARG 623 HG3 ARG 623 -28.341 1.432 9.366 532 1HD ARG 623 HD2 ARG 623 -26.725 3.897 8.611 533 2HD ARG 623 HD3 ARG 623 -28.486 3.855 8.699 534 HE ARG 623 HE ARG 623 -26.611 4.088 10.941 535 1HH1 ARG 623 HH11 ARG 623 -29.918 3.106 10.233 536 2HH1 ARG 623 HH12 ARG 623 -30.407 3.389 11.882 537 1HH2 ARG 623 HH21 ARG 623 -27.249 4.424 12.854 538 2HH2 ARG 623 HH22 ARG 623 -28.911 4.137 13.386 539 H ARG 624 H ARG 624 -23.578 0.597 7.385 540 HA ARG 624 HA ARG 624 -21.783 -0.611 9.425 541 1HB ARG 624 HB2 ARG 624 -21.726 -0.799 6.393 542 2HB ARG 624 HB3 ARG 624 -20.646 -1.667 7.478 543 1HG ARG 624 HG2 ARG 624 -23.666 -1.995 7.291 544 2HG ARG 624 HG3 ARG 624 -22.447 -3.127 6.717 545 1HD ARG 624 HD2 ARG 624 -22.975 -2.378 9.623 546 2HD ARG 624 HD3 ARG 624 -23.464 -3.868 8.829 547 HE ARG 624 HE ARG 624 -20.834 -4.046 8.408 548 1HH1 ARG 624 HH11 ARG 624 -22.329 -3.056 11.452 549 2HH1 ARG 624 HH12 ARG 624 -21.184 -4.013 12.370 550 1HH2 ARG 624 HH21 ARG 624 -19.305 -5.048 9.754 551 2HH2 ARG 624 HH22 ARG 624 -19.574 -4.996 11.481 552 H MET 625 H MET 625 -21.532 2.094 7.138 553 HA MET 625 HA MET 625 -18.722 2.518 7.789 554 1HB MET 625 HB2 MET 625 -19.861 3.417 5.680 555 2HB MET 625 HB3 MET 625 -20.641 4.619 6.715 556 1HG MET 625 HG2 MET 625 -18.595 5.489 5.662 557 2HG MET 625 HG3 MET 625 -18.439 5.468 7.416 558 1HE MET 625 HE1 MET 625 -15.906 5.880 5.423 559 2HE MET 625 HE2 MET 625 -15.861 5.875 7.188 560 3HE MET 625 HE3 MET 625 -14.721 4.854 6.267 561 H GLU 626 H GLU 626 -21.836 3.778 9.074 562 HA GLU 626 HA GLU 626 -20.761 5.362 11.159 563 1HB GLU 626 HB2 GLU 626 -23.090 5.404 10.425 564 2HB GLU 626 HB3 GLU 626 -23.344 3.776 11.047 565 1HG GLU 626 HG2 GLU 626 -23.000 4.522 13.333 566 2HG GLU 626 HG3 GLU 626 -22.535 6.137 12.774 567 H ASN 627 H ASN 627 -21.397 1.836 11.129 568 HA ASN 627 HA ASN 627 -20.422 1.381 13.811 569 1HB ASN 627 HB2 ASN 627 -20.458 -0.531 11.431 570 2HB ASN 627 HB3 ASN 627 -20.137 -0.976 13.102 571 1HD2 ASN 627 HD22 ASN 627 -22.191 0.475 14.477 572 2HD2 ASN 627 HD21 ASN 627 -23.705 -0.239 13.953 573 H LEU 628 H LEU 628 -18.675 1.395 10.656 574 HA LEU 628 HA LEU 628 -16.101 0.787 11.721 575 1HB LEU 628 HB2 LEU 628 -16.791 0.699 9.357 576 2HB LEU 628 HB3 LEU 628 -16.843 2.454 9.276 577 HG LEU 628 HG LEU 628 -14.299 1.024 10.095 578 1HD1 LEU 628 HD11 LEU 628 -13.626 1.004 7.719 579 2HD1 LEU 628 HD12 LEU 628 -15.060 0.004 7.971 580 3HD1 LEU 628 HD13 LEU 628 -15.228 1.619 7.262 581 1HD2 LEU 628 HD21 LEU 628 -13.221 2.974 8.947 582 2HD2 LEU 628 HD22 LEU 628 -14.830 3.657 8.649 583 3HD2 LEU 628 HD23 LEU 628 -14.212 3.482 10.308 584 H VAL 629 H VAL 629 -17.657 3.924 11.174 585 HA VAL 629 HA VAL 629 -15.736 5.672 12.314 586 HB VAL 629 HB VAL 629 -18.718 5.713 11.938 587 1HG1 VAL 629 HG11 VAL 629 -18.850 8.057 12.587 588 2HG1 VAL 629 HG12 VAL 629 -18.560 6.999 13.964 589 3HG1 VAL 629 HG13 VAL 629 -17.210 7.962 13.291 590 1HG2 VAL 629 HG21 VAL 629 -16.544 7.549 10.883 591 2HG2 VAL 629 HG22 VAL 629 -17.111 6.094 10.037 592 3HG2 VAL 629 HG23 VAL 629 -18.226 7.433 10.332 593 H ALA 630 H ALA 630 -18.364 3.902 14.033 594 HA ALA 630 HA ALA 630 -17.634 4.821 16.641 595 1HB ALA 630 HB1 ALA 630 -19.848 3.899 16.048 596 2HB ALA 630 HB2 ALA 630 -19.121 2.297 15.798 597 3HB ALA 630 HB3 ALA 630 -19.121 3.031 17.414 598 H TYR 631 H TYR 631 -16.633 1.878 14.823 599 HA TYR 631 HA TYR 631 -14.905 0.774 16.824 600 1HB TYR 631 HB2 TYR 631 -15.202 -0.757 15.194 601 2HB TYR 631 HB3 TYR 631 -15.422 0.434 13.937 602 HD1 TYR 631 HD1 TYR 631 -12.767 -1.394 15.872 603 HD2 TYR 631 HD2 TYR 631 -13.729 0.981 12.399 604 HE1 TYR 631 HE1 TYR 631 -10.546 -1.852 14.929 605 HE2 TYR 631 HE2 TYR 631 -11.500 0.488 11.450 606 HH TYR 631 HH TYR 631 -9.070 -1.473 13.162 607 H ALA 632 H ALA 632 -14.202 3.189 14.230 608 HA ALA 632 HA ALA 632 -11.485 3.624 14.979 609 1HB ALA 632 HB1 ALA 632 -13.467 5.521 13.662 610 2HB ALA 632 HB2 ALA 632 -11.703 5.701 13.687 611 3HB ALA 632 HB3 ALA 632 -12.441 4.332 12.830 612 H LYS 633 H LYS 633 -14.502 5.246 16.197 613 HA LYS 633 HA LYS 633 -13.129 6.998 18.041 614 1HB LYS 633 HB2 LYS 633 -15.920 5.774 18.119 615 2HB LYS 633 HB3 LYS 633 -15.324 6.914 19.329 616 1HG LYS 633 HG2 LYS 633 -14.918 8.610 17.621 617 2HG LYS 633 HG3 LYS 633 -15.446 7.498 16.348 618 1HD LYS 633 HD2 LYS 633 -17.706 7.387 17.357 619 2HD LYS 633 HD3 LYS 633 -17.193 8.530 18.620 620 1HE LYS 633 HE2 LYS 633 -16.682 10.225 16.882 621 2HE LYS 633 HE3 LYS 633 -17.156 9.085 15.616 622 1HZ LYS 633 HZ1 LYS 633 -18.966 10.612 16.152 623 2HZ LYS 633 HZ2 LYS 633 -19.415 9.095 16.550 624 3HZ LYS 633 HZ3 LYS 633 -18.972 10.152 17.717 625 H LYS 634 H LYS 634 -14.353 3.678 18.543 626 HA LYS 634 HA LYS 634 -13.551 3.419 21.262 627 1HB LYS 634 HB2 LYS 634 -15.150 1.937 20.078 628 2HB LYS 634 HB3 LYS 634 -13.845 1.299 19.092 629 1HG LYS 634 HG2 LYS 634 -14.422 -0.283 20.770 630 2HG LYS 634 HG3 LYS 634 -12.794 0.282 21.097 631 1HD LYS 634 HD2 LYS 634 -15.165 1.544 22.528 632 2HD LYS 634 HD3 LYS 634 -14.576 -0.046 23.018 633 1HE LYS 634 HE2 LYS 634 -12.294 0.882 23.355 634 2HE LYS 634 HE3 LYS 634 -12.892 2.493 22.959 635 1HZ LYS 634 HZ1 LYS 634 -14.404 2.330 24.869 636 2HZ LYS 634 HZ2 LYS 634 -13.848 0.838 25.234 637 3HZ LYS 634 HZ3 LYS 634 -12.859 2.129 25.357 638 H VAL 635 H VAL 635 -11.757 2.461 18.289 639 HA VAL 635 HA VAL 635 -9.398 1.633 19.737 640 HB VAL 635 HB VAL 635 -9.749 2.386 16.815 641 1HG1 VAL 635 HG11 VAL 635 -7.585 1.120 16.505 642 2HG1 VAL 635 HG12 VAL 635 -7.372 2.648 17.364 643 3HG1 VAL 635 HG13 VAL 635 -7.381 1.114 18.264 644 1HG2 VAL 635 HG21 VAL 635 -9.493 -0.306 18.252 645 2HG2 VAL 635 HG22 VAL 635 -10.984 0.342 17.545 646 3HG2 VAL 635 HG23 VAL 635 -9.627 -0.077 16.498 647 H GLU 636 H GLU 636 -10.241 4.820 18.212 648 HA GLU 636 HA GLU 636 -7.802 6.120 18.761 649 1HB GLU 636 HB2 GLU 636 -9.589 7.080 17.407 650 2HB GLU 636 HB3 GLU 636 -10.644 7.215 18.803 651 1HG GLU 636 HG2 GLU 636 -7.952 8.600 18.824 652 2HG GLU 636 HG3 GLU 636 -9.257 9.278 17.870 653 H GLY 637 H GLY 637 -10.664 5.838 20.921 654 1HA GLY 637 HA2 GLY 637 -9.535 7.025 23.236 655 2HA GLY 637 HA3 GLY 637 -10.829 5.819 23.210 656 H ASP 638 H ASP 638 -9.275 3.618 22.074 657 HA ASP 638 HA ASP 638 -8.057 2.619 24.503 658 1HB ASP 638 HB2 ASP 638 -9.276 1.239 22.808 659 2HB ASP 638 HB3 ASP 638 -7.952 1.508 21.672 660 H MET 639 H MET 639 -6.778 4.016 21.509 661 HA MET 639 HA MET 639 -3.967 3.468 22.049 662 1HB MET 639 HB2 MET 639 -5.361 5.427 20.175 663 2HB MET 639 HB3 MET 639 -3.626 5.105 20.171 664 1HG MET 639 HG2 MET 639 -5.705 2.921 19.762 665 2HG MET 639 HG3 MET 639 -5.048 3.851 18.430 666 1HE MET 639 HE1 MET 639 -3.531 0.208 18.167 667 2HE MET 639 HE2 MET 639 -5.089 0.569 18.942 668 3HE MET 639 HE3 MET 639 -4.629 1.404 17.441 669 H TYR 640 H TYR 640 -6.147 6.254 22.546 670 HA TYR 640 HA TYR 640 -4.299 8.084 23.718 671 1HB TYR 640 HB2 TYR 640 -6.590 8.514 22.802 672 2HB TYR 640 HB3 TYR 640 -7.279 7.694 24.178 673 HD1 TYR 640 HD1 TYR 640 -7.348 8.826 26.398 674 HD2 TYR 640 HD2 TYR 640 -5.561 10.707 22.951 675 HE1 TYR 640 HE1 TYR 640 -7.485 11.044 27.528 676 HE2 TYR 640 HE2 TYR 640 -5.691 12.916 24.088 677 HH TYR 640 HH TYR 640 -7.114 13.300 27.340 678 H GLU 641 H GLU 641 -6.319 5.522 25.227 679 HA GLU 641 HA GLU 641 -5.253 5.976 27.903 680 1HB GLU 641 HB2 GLU 641 -7.011 3.831 26.657 681 2HB GLU 641 HB3 GLU 641 -6.575 3.858 28.359 682 1HG GLU 641 HG2 GLU 641 -8.095 6.089 26.944 683 2HG GLU 641 HG3 GLU 641 -8.813 4.827 27.934 684 H SER 642 H SER 642 -3.618 4.803 25.341 685 HA SER 642 HA SER 642 -2.022 2.854 26.970 686 1HB SER 642 HB2 SER 642 -2.482 2.898 23.964 687 2HB SER 642 HB3 SER 642 -1.416 1.782 24.834 688 HG SER 642 HG SER 642 -4.227 1.971 24.884 689 H ALA 643 H ALA 643 -1.768 5.939 26.402 690 HA ALA 643 HA ALA 643 1.099 5.899 25.545 691 1HB ALA 643 HB1 ALA 643 -0.329 6.614 23.696 692 2HB ALA 643 HB2 ALA 643 -1.124 7.809 24.733 693 3HB ALA 643 HB3 ALA 643 0.591 7.996 24.318 694 H ASN 644 H ASN 644 2.461 7.386 26.378 695 HA ASN 644 HA ASN 644 1.690 8.653 28.956 696 1HB ASN 644 HB2 ASN 644 4.416 7.991 27.731 697 2HB ASN 644 HB3 ASN 644 4.142 8.596 29.360 698 1HD2 ASN 644 HD21 ASN 644 3.797 5.794 27.233 699 2HD2 ASN 644 HD22 ASN 644 3.580 4.635 28.555 700 H SER 645 H SER 645 2.029 9.647 25.780 701 HA SER 645 HA SER 645 1.930 12.450 26.531 702 1HB SER 645 HB2 SER 645 3.705 13.242 25.130 703 2HB SER 645 HB3 SER 645 4.407 12.023 26.201 704 HG SER 645 HG SER 645 5.117 11.639 24.112 705 H ARG 646 H ARG 646 1.148 13.783 24.668 706 HA ARG 646 HA ARG 646 -0.672 12.311 23.023 707 1HB ARG 646 HB2 ARG 646 -1.594 14.190 22.328 708 2HB ARG 646 HB3 ARG 646 -0.846 14.802 23.790 709 1HG ARG 646 HG2 ARG 646 0.298 15.060 20.979 710 2HG ARG 646 HG3 ARG 646 -0.702 16.276 21.761 711 1HD ARG 646 HD2 ARG 646 0.950 16.932 23.280 712 2HD ARG 646 HD3 ARG 646 1.782 15.377 23.209 713 HE ARG 646 HE ARG 646 3.095 16.134 21.532 714 1HH1 ARG 646 HH21 ARG 646 0.390 18.371 21.514 715 2HH1 ARG 646 HH22 ARG 646 0.847 19.018 19.949 716 1HH2 ARG 646 HH11 ARG 646 3.399 16.754 19.491 717 2HH2 ARG 646 HH12 ARG 646 2.460 18.081 18.800 718 H ASP 647 H ASP 647 2.662 13.170 22.429 719 HA ASP 647 HA ASP 647 2.620 12.701 19.565 720 1HB ASP 647 HB2 ASP 647 4.891 12.638 21.587 721 2HB ASP 647 HB3 ASP 647 5.069 12.591 19.838 722 H GLU 648 H GLU 648 3.257 10.643 22.459 723 HA GLU 648 HA GLU 648 3.836 8.255 20.922 724 1HB GLU 648 HB2 GLU 648 4.528 8.566 23.259 725 2HB GLU 648 HB3 GLU 648 2.840 8.561 23.784 726 1HG GLU 648 HG2 GLU 648 2.561 6.253 23.078 727 2HG GLU 648 HG3 GLU 648 4.123 6.259 22.255 728 H TYR 649 H TYR 649 0.810 9.624 22.290 729 HA TYR 649 HA TYR 649 -0.977 7.578 21.398 730 1HB TYR 649 HB2 TYR 649 -1.928 9.015 22.883 731 2HB TYR 649 HB3 TYR 649 -1.137 10.424 22.228 732 HD1 TYR 649 HD1 TYR 649 -2.330 11.985 21.003 733 HD2 TYR 649 HD2 TYR 649 -3.835 7.959 21.329 734 HE1 TYR 649 HE1 TYR 649 -4.450 12.709 19.986 735 HE2 TYR 649 HE2 TYR 649 -6.016 8.706 20.365 736 HH TYR 649 HH TYR 649 -6.603 12.110 19.427 737 H TYR 650 H TYR 650 -0.191 10.695 19.664 738 HA TYR 650 HA TYR 650 -1.217 10.081 17.155 739 1HB TYR 650 HB2 TYR 650 1.267 11.544 18.084 740 2HB TYR 650 HB3 TYR 650 1.117 11.203 16.379 741 HD1 TYR 650 HD1 TYR 650 -1.456 11.651 15.491 742 HD2 TYR 650 HD2 TYR 650 0.727 13.778 18.541 743 HE1 TYR 650 HE1 TYR 650 -2.693 13.716 14.923 744 HE2 TYR 650 HE2 TYR 650 -0.516 15.870 17.966 745 HH TYR 650 HH TYR 650 -2.907 15.953 15.314 746 H HIS 651 H HIS 651 2.036 8.971 18.298 747 HA HIS 651 HA HIS 651 2.673 7.569 15.894 748 1HB HIS 651 HB2 HIS 651 4.390 8.147 17.472 749 2HB HIS 651 HB3 HIS 651 3.616 7.219 18.754 750 HD1 HIS 651 HD1 HIS 651 5.261 6.406 15.270 751 HD2 HIS 651 HD2 HIS 651 4.429 4.792 19.089 752 HE1 HIS 651 HE1 HIS 651 6.346 4.115 15.338 753 H LEU 652 H LEU 652 1.035 6.354 18.875 754 HA LEU 652 HA LEU 652 0.735 3.654 17.936 755 1HB LEU 652 HB2 LEU 652 -0.792 5.325 19.969 756 2HB LEU 652 HB3 LEU 652 -1.134 3.630 19.667 757 HG LEU 652 HG LEU 652 1.542 4.660 20.672 758 1HD1 LEU 652 HD11 LEU 652 -0.698 3.163 22.100 759 2HD1 LEU 652 HD12 LEU 652 0.844 3.707 22.806 760 3HD1 LEU 652 HD13 LEU 652 -0.358 4.894 22.273 761 1HD2 LEU 652 HD21 LEU 652 1.965 2.268 21.191 762 2HD2 LEU 652 HD22 LEU 652 0.477 1.826 20.324 763 3HD2 LEU 652 HD23 LEU 652 1.846 2.556 19.455 764 H LEU 653 H LEU 653 -1.498 6.472 17.640 765 HA LEU 653 HA LEU 653 -3.558 5.151 16.143 766 1HB LEU 653 HB2 LEU 653 -2.477 7.999 15.907 767 2HB LEU 653 HB3 LEU 653 -3.904 7.412 15.086 768 HG LEU 653 HG LEU 653 -3.595 7.735 18.092 769 1HD1 LEU 653 HD11 LEU 653 -5.175 9.242 15.958 770 2HD1 LEU 653 HD12 LEU 653 -5.301 9.519 17.699 771 3HD1 LEU 653 HD13 LEU 653 -3.774 9.850 16.871 772 1HD2 LEU 653 HD21 LEU 653 -5.968 7.269 18.243 773 2HD2 LEU 653 HD22 LEU 653 -6.059 6.923 16.501 774 3HD2 LEU 653 HD23 LEU 653 -5.127 5.864 17.581 775 H ALA 654 H ALA 654 -0.652 6.912 14.957 776 HA ALA 654 HA ALA 654 -1.224 6.354 12.245 777 1HB ALA 654 HB1 ALA 654 1.420 7.150 13.566 778 2HB ALA 654 HB2 ALA 654 0.987 7.351 11.855 779 3HB ALA 654 HB3 ALA 654 0.126 8.273 13.093 780 H GLU 655 H GLU 655 0.740 4.465 14.577 781 HA GLU 655 HA GLU 655 1.847 2.643 12.643 782 1HB GLU 655 HB2 GLU 655 2.703 2.889 14.945 783 2HB GLU 655 HB3 GLU 655 1.204 2.194 15.587 784 1HG GLU 655 HG2 GLU 655 1.671 0.069 14.418 785 2HG GLU 655 HG3 GLU 655 3.084 0.782 13.641 786 H LYS 656 H LYS 656 -1.252 2.555 14.516 787 HA LYS 656 HA LYS 656 -2.055 0.027 13.351 788 1HB LYS 656 HB2 LYS 656 -3.788 0.114 14.719 789 2HB LYS 656 HB3 LYS 656 -2.901 1.396 15.491 790 1HG LYS 656 HG2 LYS 656 -4.902 2.441 15.392 791 2HG LYS 656 HG3 LYS 656 -4.377 2.916 13.779 792 1HD LYS 656 HD2 LYS 656 -5.607 0.998 12.805 793 2HD LYS 656 HD3 LYS 656 -6.069 0.466 14.429 794 1HE LYS 656 HE2 LYS 656 -7.118 2.785 14.748 795 2HE LYS 656 HE3 LYS 656 -6.912 3.023 13.007 796 1HZ LYS 656 HZ1 LYS 656 -9.130 2.112 13.593 797 2HZ LYS 656 HZ2 LYS 656 -8.323 1.040 12.656 798 3HZ LYS 656 HZ3 LYS 656 -8.446 0.783 14.248 799 H ILE 657 H ILE 657 -2.494 3.373 12.342 800 HA ILE 657 HA ILE 657 -4.044 2.812 9.973 801 HB ILE 657 HB ILE 657 -2.227 5.089 10.817 802 1HG1 ILE 657 HG12 ILE 657 -4.333 4.935 12.037 803 2HG1 ILE 657 HG13 ILE 657 -4.366 6.343 11.010 804 1HG2 ILE 657 HG21 ILE 657 -3.675 4.849 8.171 805 2HG2 ILE 657 HG22 ILE 657 -3.193 6.404 8.889 806 3HG2 ILE 657 HG23 ILE 657 -1.968 5.204 8.477 807 1HD1 ILE 657 HD11 ILE 657 -5.589 4.663 9.310 808 2HD1 ILE 657 HD12 ILE 657 -5.895 3.759 10.807 809 3HD1 ILE 657 HD13 ILE 657 -6.459 5.429 10.630 810 H TYR 658 H TYR 658 -0.474 3.072 10.407 811 HA TYR 658 HA TYR 658 0.233 2.375 7.758 812 1HB TYR 658 HB2 TYR 658 1.838 3.207 9.367 813 2HB TYR 658 HB3 TYR 658 1.616 1.810 10.397 814 HD1 TYR 658 HD1 TYR 658 2.430 -0.467 9.673 815 HD2 TYR 658 HD2 TYR 658 3.359 3.129 7.460 816 HE1 TYR 658 HE1 TYR 658 4.358 -1.612 8.622 817 HE2 TYR 658 HE2 TYR 658 5.301 1.985 6.450 818 HH TYR 658 HH TYR 658 6.130 -1.423 7.239 819 H LYS 659 H LYS 659 -0.350 0.118 10.547 820 HA LYS 659 HA LYS 659 -0.066 -2.286 9.081 821 1HB LYS 659 HB2 LYS 659 -0.282 -2.332 11.491 822 2HB LYS 659 HB3 LYS 659 -1.922 -1.673 11.418 823 1HG LYS 659 HG2 LYS 659 -2.741 -3.678 10.265 824 2HG LYS 659 HG3 LYS 659 -1.096 -4.334 10.174 825 1HD LYS 659 HD2 LYS 659 -1.028 -4.635 12.583 826 2HD LYS 659 HD3 LYS 659 -2.521 -3.711 12.791 827 1HE LYS 659 HE2 LYS 659 -2.993 -6.081 13.017 828 2HE LYS 659 HE3 LYS 659 -3.821 -5.423 11.598 829 1HZ LYS 659 HZ1 LYS 659 -2.658 -7.619 11.283 830 2HZ LYS 659 HZ2 LYS 659 -2.319 -6.510 10.162 831 3HZ LYS 659 HZ3 LYS 659 -1.226 -6.839 11.360 832 H ILE 660 H ILE 660 -3.194 -0.548 9.615 833 HA ILE 660 HA ILE 660 -4.699 -2.319 7.961 834 HB ILE 660 HB ILE 660 -5.190 0.551 8.800 835 1HG1 ILE 660 HG12 ILE 660 -6.316 -2.143 9.723 836 2HG1 ILE 660 HG13 ILE 660 -5.067 -1.241 10.556 837 1HG2 ILE 660 HG21 ILE 660 -7.148 -1.329 7.372 838 2HG2 ILE 660 HG22 ILE 660 -7.560 0.220 8.119 839 3HG2 ILE 660 HG23 ILE 660 -6.498 0.200 6.733 840 1HD1 ILE 660 HD11 ILE 660 -6.700 0.669 10.811 841 2HD1 ILE 660 HD12 ILE 660 -7.969 -0.449 10.251 842 3HD1 ILE 660 HD13 ILE 660 -7.054 -0.817 11.723 843 H GLN 661 H GLN 661 -3.192 0.827 7.046 844 HA GLN 661 HA GLN 661 -4.102 0.789 4.357 845 1HB GLN 661 HB2 GLN 661 -3.115 2.736 5.708 846 2HB GLN 661 HB3 GLN 661 -1.527 2.039 5.396 847 1HG GLN 661 HG2 GLN 661 -1.687 3.559 3.658 848 2HG GLN 661 HG3 GLN 661 -2.304 2.102 2.866 849 1HE2 GLN 661 HE22 GLN 661 -4.298 2.380 1.810 850 2HE2 GLN 661 HE21 GLN 661 -5.433 3.663 2.202 851 H LYS 662 H LYS 662 -0.910 -0.265 5.694 852 HA LYS 662 HA LYS 662 0.128 -1.089 3.131 853 1HB LYS 662 HB2 LYS 662 0.992 -1.778 5.975 854 2HB LYS 662 HB3 LYS 662 1.952 -2.151 4.571 855 1HG LYS 662 HG2 LYS 662 1.196 0.711 5.283 856 2HG LYS 662 HG3 LYS 662 2.596 -0.123 5.927 857 1HD LYS 662 HD2 LYS 662 3.375 1.211 4.168 858 2HD LYS 662 HD3 LYS 662 3.473 -0.450 3.600 859 1HE LYS 662 HE2 LYS 662 0.898 0.880 2.954 860 2HE LYS 662 HE3 LYS 662 2.277 1.771 2.330 861 1HZ LYS 662 HZ1 LYS 662 1.362 0.074 0.788 862 2HZ LYS 662 HZ2 LYS 662 2.970 -0.127 1.073 863 3HZ LYS 662 HZ3 LYS 662 1.883 -1.124 1.777 864 H GLU 663 H GLU 663 -1.519 -2.887 5.711 865 HA GLU 663 HA GLU 663 -1.120 -5.464 4.471 866 1HB GLU 663 HB2 GLU 663 -1.622 -5.186 6.850 867 2HB GLU 663 HB3 GLU 663 -3.254 -4.585 6.457 868 1HG GLU 663 HG2 GLU 663 -3.869 -6.682 5.462 869 2HG GLU 663 HG3 GLU 663 -2.209 -7.293 5.553 870 H LEU 664 H LEU 664 -4.005 -3.194 4.359 871 HA LEU 664 HA LEU 664 -5.424 -4.963 2.599 872 1HB LEU 664 HB2 LEU 664 -5.778 -2.100 3.462 873 2HB LEU 664 HB3 LEU 664 -6.601 -2.667 2.022 874 HG LEU 664 HG LEU 664 -7.565 -4.587 3.309 875 1HD1 LEU 664 HD11 LEU 664 -7.737 -4.432 5.757 876 2HD1 LEU 664 HD12 LEU 664 -6.050 -4.684 5.277 877 3HD1 LEU 664 HD13 LEU 664 -6.611 -3.070 5.773 878 1HD2 LEU 664 HD21 LEU 664 -8.215 -1.802 4.338 879 2HD2 LEU 664 HD22 LEU 664 -8.835 -2.552 2.846 880 3HD2 LEU 664 HD23 LEU 664 -9.264 -3.238 4.424 881 H GLU 665 H GLU 665 -3.101 -2.331 1.837 882 HA GLU 665 HA GLU 665 -3.341 -2.501 -0.985 883 1HB GLU 665 HB2 GLU 665 -1.122 -1.707 0.908 884 2HB GLU 665 HB3 GLU 665 -0.851 -1.747 -0.836 885 1HG GLU 665 HG2 GLU 665 -2.670 -0.207 -1.260 886 2HG GLU 665 HG3 GLU 665 -3.144 -0.210 0.439 887 H GLU 666 H GLU 666 -2.350 -5.116 0.989 888 HA GLU 666 HA GLU 666 -1.420 -6.476 -1.509 889 1HB GLU 666 HB2 GLU 666 0.030 -7.934 -0.282 890 2HB GLU 666 HB3 GLU 666 0.519 -6.251 -0.118 891 1HG GLU 666 HG2 GLU 666 -0.401 -6.167 2.158 892 2HG GLU 666 HG3 GLU 666 -1.019 -7.814 2.002 893 H LYS 667 H LYS 667 -3.272 -6.900 1.504 894 HA LYS 667 HA LYS 667 -4.369 -9.486 0.836 895 1HB LYS 667 HB2 LYS 667 -5.483 -7.251 2.578 896 2HB LYS 667 HB3 LYS 667 -6.139 -8.880 2.494 897 1HG LYS 667 HG2 LYS 667 -3.370 -8.134 3.512 898 2HG LYS 667 HG3 LYS 667 -4.777 -8.621 4.464 899 1HD LYS 667 HD2 LYS 667 -4.700 -10.852 3.222 900 2HD LYS 667 HD3 LYS 667 -3.181 -10.320 2.508 901 1HE LYS 667 HE2 LYS 667 -2.671 -11.736 4.369 902 2HE LYS 667 HE3 LYS 667 -2.138 -10.093 4.725 903 1HZ LYS 667 HZ1 LYS 667 -4.707 -11.203 5.731 904 2HZ LYS 667 HZ2 LYS 667 -3.315 -11.259 6.579 905 3HZ LYS 667 HZ3 LYS 667 -3.964 -9.818 6.238 906 H ARG 668 H ARG 668 -5.010 -6.473 -0.641 907 HA ARG 668 HA ARG 668 -7.360 -7.644 -2.123 908 1HB ARG 668 HB2 ARG 668 -6.579 -4.722 -1.777 909 2HB ARG 668 HB3 ARG 668 -7.979 -5.307 -2.650 910 1HG ARG 668 HG2 ARG 668 -7.600 -5.611 0.363 911 2HG ARG 668 HG3 ARG 668 -8.489 -4.329 -0.443 912 1HD ARG 668 HD2 ARG 668 -10.124 -5.858 0.270 913 2HD ARG 668 HD3 ARG 668 -9.993 -6.068 -1.480 914 HE ARG 668 HE ARG 668 -8.262 -7.902 -0.059 915 1HH1 ARG 668 HH11 ARG 668 -11.691 -7.634 -0.790 916 2HH1 ARG 668 HH12 ARG 668 -11.818 -9.356 -1.059 917 1HH2 ARG 668 HH21 ARG 668 -8.502 -9.977 -0.320 918 2HH2 ARG 668 HH22 ARG 668 -10.061 -10.682 -0.695 919 H ARG 669 H ARG 669 -4.220 -7.704 -2.555 920 HA ARG 669 HA ARG 669 -4.393 -7.346 -5.521 921 1HB ARG 669 HB2 ARG 669 -2.259 -6.136 -3.712 922 2HB ARG 669 HB3 ARG 669 -2.122 -6.229 -5.460 923 1HG ARG 669 HG2 ARG 669 -4.266 -4.655 -3.971 924 2HG ARG 669 HG3 ARG 669 -2.800 -3.998 -4.691 925 1HD ARG 669 HD2 ARG 669 -3.510 -4.736 -6.929 926 2HD ARG 669 HD3 ARG 669 -4.988 -5.426 -6.274 927 HE ARG 669 HE ARG 669 -4.348 -2.572 -6.655 928 1HH1 ARG 669 HH11 ARG 669 -6.684 -4.803 -5.237 929 2HH1 ARG 669 HH12 ARG 669 -7.946 -3.597 -5.269 930 1HH2 ARG 669 HH21 ARG 669 -5.999 -1.109 -6.604 931 2HH2 ARG 669 HH22 ARG 669 -7.555 -1.562 -5.977 932 H SER 670 H SER 670 -3.188 -9.286 -2.932 933 HA SER 670 HA SER 670 -0.904 -10.419 -3.992 934 1HB SER 670 HB2 SER 670 -1.410 -12.318 -2.497 935 2HB SER 670 HB3 SER 670 -1.650 -10.748 -1.716 936 HG SER 670 HG SER 670 -3.390 -12.218 -1.319 937 H ARG 671 H ARG 671 -4.168 -11.139 -5.048 938 HA ARG 671 HA ARG 671 -3.620 -13.663 -6.339 939 1HB ARG 671 HB2 ARG 671 -5.837 -12.794 -5.526 940 2HB ARG 671 HB3 ARG 671 -5.865 -11.671 -6.891 941 1HG ARG 671 HG2 ARG 671 -5.903 -13.534 -8.479 942 2HG ARG 671 HG3 ARG 671 -5.680 -14.712 -7.178 943 1HD ARG 671 HD2 ARG 671 -8.077 -12.847 -7.449 944 2HD ARG 671 HD3 ARG 671 -8.023 -14.516 -8.047 945 HE ARG 671 HE ARG 671 -7.309 -14.583 -5.306 946 1HH1 ARG 671 HH21 ARG 671 -10.185 -13.936 -7.196 947 2HH1 ARG 671 HH22 ARG 671 -11.253 -14.453 -5.920 948 1HH2 ARG 671 HH11 ARG 671 -8.725 -15.203 -3.709 949 2HH2 ARG 671 HH12 ARG 671 -10.439 -15.143 -3.995 950 H LEU 672 H LEU 672 -3.046 -10.394 -7.396 951 HA LEU 672 HA LEU 672 -3.138 -10.848 -10.261 952 1HB LEU 672 HB2 LEU 672 -2.037 -8.622 -8.499 953 2HB LEU 672 HB3 LEU 672 -1.812 -8.620 -10.225 954 HG LEU 672 HG LEU 672 -3.607 -7.152 -9.572 955 1HD1 LEU 672 HD11 LEU 672 -5.282 -7.849 -11.175 956 2HD1 LEU 672 HD12 LEU 672 -3.672 -8.258 -11.790 957 3HD1 LEU 672 HD13 LEU 672 -4.715 -9.529 -11.114 958 1HD2 LEU 672 HD21 LEU 672 -5.733 -7.880 -8.718 959 2HD2 LEU 672 HD22 LEU 672 -5.219 -9.575 -8.699 960 3HD2 LEU 672 HD23 LEU 672 -4.465 -8.400 -7.598 961 1H SER 839 H1 SER 839 -16.729 -10.772 24.413 962 2H SER 839 H2 SER 839 -17.310 -12.297 24.261 963 3H SER 839 H3 SER 839 -15.965 -12.017 25.163 964 HA SER 839 HA SER 839 -15.393 -12.989 23.033 965 1HB SER 839 HB2 SER 839 -15.697 -11.546 21.004 966 2HB SER 839 HB3 SER 839 -17.205 -12.172 21.682 967 HG SER 839 HG SER 839 -17.323 -9.929 21.162 968 H ASP 840 H ASP 840 -13.427 -12.452 21.946 969 HA ASP 840 HA ASP 840 -11.912 -10.064 22.847 970 1HB ASP 840 HB2 ASP 840 -11.076 -12.962 23.317 971 2HB ASP 840 HB3 ASP 840 -9.990 -11.585 23.443 972 H ALA 841 H ALA 841 -9.757 -9.978 21.701 973 HA ALA 841 HA ALA 841 -9.665 -11.288 19.048 974 1HB ALA 841 HB1 ALA 841 -11.104 -9.298 18.746 975 2HB ALA 841 HB2 ALA 841 -9.840 -8.264 19.448 976 3HB ALA 841 HB3 ALA 841 -9.563 -9.091 17.899 977 H GLY 842 H GLY 842 -7.715 -10.596 17.819 978 1HA GLY 842 HA2 GLY 842 -5.311 -9.984 19.499 979 2HA GLY 842 HA3 GLY 842 -5.371 -11.423 18.472 980 H ASN 843 H ASN 843 -6.722 -8.267 17.662 981 HA ASN 843 HA ASN 843 -4.598 -7.483 15.807 982 1HB ASN 843 HB2 ASN 843 -6.047 -7.537 13.814 983 2HB ASN 843 HB3 ASN 843 -5.881 -9.140 14.493 984 1HD2 ASN 843 HD22 ASN 843 -7.802 -10.267 14.506 985 2HD2 ASN 843 HD21 ASN 843 -9.379 -9.510 14.663 986 H ILE 844 H ILE 844 -5.729 -5.470 14.450 987 HA ILE 844 HA ILE 844 -7.173 -3.760 16.437 988 HB ILE 844 HB ILE 844 -5.241 -2.457 14.537 989 1HG1 ILE 844 HG12 ILE 844 -4.317 -3.659 17.196 990 2HG1 ILE 844 HG13 ILE 844 -3.831 -4.236 15.599 991 1HG2 ILE 844 HG21 ILE 844 -5.214 -0.781 16.330 992 2HG2 ILE 844 HG22 ILE 844 -6.893 -1.238 16.087 993 3HG2 ILE 844 HG23 ILE 844 -5.999 -1.900 17.460 994 1HD1 ILE 844 HD11 ILE 844 -2.061 -2.891 16.468 995 2HD1 ILE 844 HD12 ILE 844 -2.790 -2.053 15.086 996 3HD1 ILE 844 HD13 ILE 844 -3.137 -1.521 16.750 997 H LEU 845 H LEU 845 -8.077 -5.418 14.118 998 HA LEU 845 HA LEU 845 -9.844 -3.477 12.805 999 1HB LEU 845 HB2 LEU 845 -7.875 -3.480 11.337 1000 2HB LEU 845 HB3 LEU 845 -7.911 -5.236 11.251 1001 HG LEU 845 HG LEU 845 -10.085 -5.117 10.041 1002 1HD1 LEU 845 HD11 LEU 845 -9.634 -2.118 9.985 1003 2HD1 LEU 845 HD12 LEU 845 -10.839 -3.012 9.030 1004 3HD1 LEU 845 HD13 LEU 845 -10.964 -2.959 10.805 1005 1HD2 LEU 845 HD21 LEU 845 -7.876 -3.468 8.773 1006 2HD2 LEU 845 HD22 LEU 845 -7.957 -5.243 8.812 1007 3HD2 LEU 845 HD23 LEU 845 -9.174 -4.317 7.920 1008 HA PRO 846 HA PRO 846 -11.800 -7.285 14.688 1009 1HB PRO 846 HB2 PRO 846 -13.902 -5.094 14.402 1010 2HB PRO 846 HB3 PRO 846 -13.818 -6.395 15.650 1011 1HG PRO 846 HG2 PRO 846 -12.890 -3.980 16.255 1012 2HG PRO 846 HG3 PRO 846 -11.803 -5.383 16.570 1013 1HD PRO 846 HD2 PRO 846 -11.882 -3.572 14.140 1014 2HD PRO 846 HD3 PRO 846 -10.466 -4.012 15.155 1015 H SER 847 H SER 847 -12.837 -8.911 13.672 1016 HA SER 847 HA SER 847 -12.762 -9.182 10.992 1017 1HB SER 847 HB2 SER 847 -14.690 -10.662 12.808 1018 2HB SER 847 HB3 SER 847 -14.060 -11.225 11.246 1019 HG SER 847 HG SER 847 -12.873 -12.085 13.021 1020 H ASP 848 H ASP 848 -15.773 -8.126 12.677 1021 HA ASP 848 HA ASP 848 -17.332 -8.329 10.236 1022 1HB ASP 848 HB2 ASP 848 -19.161 -7.561 11.456 1023 2HB ASP 848 HB3 ASP 848 -18.267 -8.624 12.527 1024 H ILE 849 H ILE 849 -15.367 -5.746 11.607 1025 HA ILE 849 HA ILE 849 -16.379 -3.751 9.638 1026 HB ILE 849 HB ILE 849 -14.263 -3.656 11.815 1027 1HG1 ILE 849 HG12 ILE 849 -15.420 -1.564 12.422 1028 2HG1 ILE 849 HG13 ILE 849 -16.512 -1.724 11.048 1029 1HG2 ILE 849 HG21 ILE 849 -14.550 -1.677 9.511 1030 2HG2 ILE 849 HG22 ILE 849 -13.616 -1.393 10.992 1031 3HG2 ILE 849 HG23 ILE 849 -13.120 -2.656 9.887 1032 1HD1 ILE 849 HD11 ILE 849 -17.529 -2.324 13.234 1033 2HD1 ILE 849 HD12 ILE 849 -17.581 -3.648 12.063 1034 3HD1 ILE 849 HD13 ILE 849 -16.378 -3.671 13.384 1035 H MET 850 H MET 850 -13.532 -5.885 10.187 1036 HA MET 850 HA MET 850 -12.003 -5.156 7.962 1037 1HB MET 850 HB2 MET 850 -11.382 -6.816 9.793 1038 2HB MET 850 HB3 MET 850 -12.337 -8.022 8.946 1039 1HG MET 850 HG2 MET 850 -10.923 -7.847 6.962 1040 2HG MET 850 HG3 MET 850 -10.075 -6.466 7.629 1041 1HE MET 850 HE1 MET 850 -11.057 -9.989 9.327 1042 2HE MET 850 HE2 MET 850 -10.564 -10.332 7.651 1043 3HE MET 850 HE3 MET 850 -9.547 -10.865 9.007 1044 H ASP 851 H ASP 851 -14.485 -7.773 8.057 1045 HA ASP 851 HA ASP 851 -14.426 -8.503 5.358 1046 1HB ASP 851 HB2 ASP 851 -15.576 -9.717 7.170 1047 2HB ASP 851 HB3 ASP 851 -16.769 -8.423 7.313 1048 H PHE 852 H PHE 852 -16.337 -5.863 6.847 1049 HA PHE 852 HA PHE 852 -17.724 -5.038 4.477 1050 1HB PHE 852 HB2 PHE 852 -18.529 -4.418 6.640 1051 2HB PHE 852 HB3 PHE 852 -17.014 -3.668 7.086 1052 HD1 PHE 852 HD1 PHE 852 -19.782 -3.337 4.554 1053 HD2 PHE 852 HD2 PHE 852 -16.775 -1.351 6.922 1054 HE1 PHE 852 HE1 PHE 852 -20.655 -1.125 3.819 1055 HE2 PHE 852 HE2 PHE 852 -17.662 0.852 6.203 1056 HZ PHE 852 HZ PHE 852 -19.600 0.968 4.646 1057 H VAL 853 H VAL 853 -14.596 -3.857 5.893 1058 HA VAL 853 HA VAL 853 -14.092 -2.001 3.734 1059 HB VAL 853 HB VAL 853 -11.992 -3.327 5.523 1060 1HG1 VAL 853 HG11 VAL 853 -11.965 -0.671 3.983 1061 2HG1 VAL 853 HG12 VAL 853 -10.658 -1.320 4.995 1062 3HG1 VAL 853 HG13 VAL 853 -11.105 -2.128 3.482 1063 1HG2 VAL 853 HG21 VAL 853 -13.619 -2.133 6.930 1064 2HG2 VAL 853 HG22 VAL 853 -12.084 -1.274 6.852 1065 3HG2 VAL 853 HG23 VAL 853 -13.483 -0.704 5.899 1066 H LEU 854 H LEU 854 -13.114 -5.450 4.183 1067 HA LEU 854 HA LEU 854 -11.497 -5.546 1.847 1068 1HB LEU 854 HB2 LEU 854 -12.983 -7.913 3.053 1069 2HB LEU 854 HB3 LEU 854 -11.632 -7.951 1.938 1070 HG LEU 854 HG LEU 854 -11.632 -7.515 4.876 1071 1HD1 LEU 854 HD11 LEU 854 -11.178 -9.707 3.891 1072 2HD1 LEU 854 HD12 LEU 854 -9.785 -9.024 3.020 1073 3HD1 LEU 854 HD13 LEU 854 -9.794 -9.073 4.797 1074 1HD2 LEU 854 HD21 LEU 854 -9.367 -6.542 3.106 1075 2HD2 LEU 854 HD22 LEU 854 -10.406 -5.516 4.128 1076 3HD2 LEU 854 HD23 LEU 854 -9.345 -6.698 4.890 1077 H LYS 855 H LYS 855 -15.011 -6.112 2.182 1078 HA LYS 855 HA LYS 855 -15.265 -6.983 -0.620 1079 1HB LYS 855 HB2 LYS 855 -16.990 -6.952 1.726 1080 2HB LYS 855 HB3 LYS 855 -17.806 -6.164 0.396 1081 1HG LYS 855 HG2 LYS 855 -18.297 -8.540 0.384 1082 2HG LYS 855 HG3 LYS 855 -17.417 -8.090 -1.076 1083 1HD LYS 855 HD2 LYS 855 -16.680 -10.249 -0.233 1084 2HD LYS 855 HD3 LYS 855 -15.360 -9.098 -0.068 1085 1HE LYS 855 HE2 LYS 855 -15.510 -10.439 1.906 1086 2HE LYS 855 HE3 LYS 855 -15.914 -8.779 2.333 1087 1HZ LYS 855 HZ1 LYS 855 -18.249 -9.442 2.377 1088 2HZ LYS 855 HZ2 LYS 855 -17.882 -10.973 1.895 1089 3HZ LYS 855 HZ3 LYS 855 -17.378 -10.413 3.353 1090 H ASN 856 H ASN 856 -15.669 -3.874 1.045 1091 HA ASN 856 HA ASN 856 -16.860 -2.602 -1.306 1092 1HB ASN 856 HB2 ASN 856 -15.808 -1.606 1.357 1093 2HB ASN 856 HB3 ASN 856 -16.201 -0.517 0.030 1094 1HD2 ASN 856 HD22 ASN 856 -17.589 -2.764 2.348 1095 2HD2 ASN 856 HD21 ASN 856 -19.254 -2.272 2.043 1096 H THR 857 H THR 857 -13.543 -2.510 0.115 1097 HA THR 857 HA THR 857 -12.621 -0.453 -1.534 1098 HB THR 857 HB THR 857 -10.293 -1.263 -0.999 1099 HG1 THR 857 HG1 THR 857 -11.653 -3.005 0.756 1100 1HG2 THR 857 HG21 THR 857 -10.525 -0.688 1.403 1101 2HG2 THR 857 HG22 THR 857 -11.417 0.420 0.347 1102 3HG2 THR 857 HG23 THR 857 -12.297 -0.816 1.259 1103 HA PRO 858 HA PRO 858 -11.109 -3.117 -5.071 1104 1HB PRO 858 HB2 PRO 858 -11.672 -5.722 -5.413 1105 2HB PRO 858 HB3 PRO 858 -10.471 -5.207 -4.189 1106 1HG PRO 858 HG2 PRO 858 -13.413 -5.854 -3.743 1107 2HG PRO 858 HG3 PRO 858 -11.996 -6.516 -2.869 1108 1HD PRO 858 HD2 PRO 858 -13.444 -4.379 -1.965 1109 2HD PRO 858 HD3 PRO 858 -11.690 -4.529 -1.670 1110 H SER 859 H SER 859 -14.385 -2.977 -4.069 1111 HA SER 859 HA SER 859 -15.587 -4.175 -6.448 1112 1HB SER 859 HB2 SER 859 -16.503 -4.383 -4.152 1113 2HB SER 859 HB3 SER 859 -16.917 -2.655 -4.180 1114 HG SER 859 HG SER 859 -18.649 -4.098 -4.807 1115 H MET 860 H MET 860 -17.231 -3.150 -7.680 1116 HA MET 860 HA MET 860 -17.512 -0.288 -7.888 1117 1HB MET 860 HB2 MET 860 -16.854 -0.069 -10.245 1118 2HB MET 860 HB3 MET 860 -15.484 -0.513 -9.235 1119 1HG MET 860 HG2 MET 860 -15.768 -2.906 -9.974 1120 2HG MET 860 HG3 MET 860 -17.076 -2.383 -11.032 1121 1HE MET 860 HE1 MET 860 -13.277 -2.553 -10.350 1122 2HE MET 860 HE2 MET 860 -12.561 -1.543 -11.624 1123 3HE MET 860 HE3 MET 860 -13.435 -0.782 -10.281 1124 H GLN 861 H GLN 861 -19.355 0.279 -9.178 1125 HA GLN 861 HA GLN 861 -21.180 -2.001 -9.882 1126 1HB GLN 861 HB2 GLN 861 -21.816 0.519 -8.302 1127 2HB GLN 861 HB3 GLN 861 -23.004 -0.671 -8.844 1128 1HG GLN 861 HG2 GLN 861 -21.831 -2.436 -7.526 1129 2HG GLN 861 HG3 GLN 861 -20.733 -1.214 -6.883 1130 1HE2 GLN 861 HE22 GLN 861 -23.404 -2.941 -5.995 1131 2HE2 GLN 861 HE21 GLN 861 -24.133 -1.758 -4.918 1132 H ALA 862 H ALA 862 -19.669 0.639 -11.226 1133 HA ALA 862 HA ALA 862 -21.380 0.541 -13.578 1134 1HB ALA 862 HB1 ALA 862 -20.952 3.184 -12.097 1135 2HB ALA 862 HB2 ALA 862 -21.726 2.994 -13.686 1136 3HB ALA 862 HB3 ALA 862 -22.499 2.319 -12.244 1137 H LEU 863 H LEU 863 -20.373 1.705 -15.405 1138 HA LEU 863 HA LEU 863 -17.607 2.584 -15.203 1139 1HB LEU 863 HB2 LEU 863 -16.574 0.983 -16.548 1140 2HB LEU 863 HB3 LEU 863 -17.437 0.067 -15.333 1141 HG LEU 863 HG LEU 863 -18.306 0.446 -18.240 1142 1HD1 LEU 863 HD11 LEU 863 -17.149 -1.970 -16.795 1143 2HD1 LEU 863 HD12 LEU 863 -17.672 -1.906 -18.495 1144 3HD1 LEU 863 HD13 LEU 863 -16.288 -0.942 -17.963 1145 1HD2 LEU 863 HD21 LEU 863 -19.895 -1.424 -17.780 1146 2HD2 LEU 863 HD22 LEU 863 -19.506 -1.300 -16.048 1147 3HD2 LEU 863 HD23 LEU 863 -20.305 0.046 -16.900 1148 H GLY 864 H GLY 864 -16.758 3.390 -17.289 1149 1HA GLY 864 HA2 GLY 864 -18.675 5.022 -18.622 1150 2HA GLY 864 HA3 GLY 864 -16.956 4.950 -18.949 1151 H GLU 865 H GLU 865 -18.572 5.358 -21.012 1152 HA GLU 865 HA GLU 865 -18.334 2.865 -22.656 1153 1HB GLU 865 HB2 GLU 865 -20.682 3.353 -21.811 1154 2HB GLU 865 HB3 GLU 865 -20.662 4.818 -22.795 1155 1HG GLU 865 HG2 GLU 865 -20.441 3.459 -24.841 1156 2HG GLU 865 HG3 GLU 865 -20.256 1.991 -23.875 1157 H SER 866 H SER 866 -17.572 6.176 -22.356 1158 HA SER 866 HA SER 866 -16.350 6.283 -25.016 1159 1HB SER 866 HB2 SER 866 -17.386 8.484 -25.531 1160 2HB SER 866 HB3 SER 866 -18.581 7.183 -25.474 1161 HG SER 866 HG SER 866 -18.899 9.341 -24.261 1162 HA PRO 867 HA PRO 867 -13.240 8.678 -22.876 1163 1HB PRO 867 HB2 PRO 867 -13.419 10.710 -25.101 1164 2HB PRO 867 HB3 PRO 867 -11.969 9.930 -24.398 1165 1HG PRO 867 HG2 PRO 867 -12.953 9.089 -26.776 1166 2HG PRO 867 HG3 PRO 867 -12.420 7.887 -25.553 1167 1HD PRO 867 HD2 PRO 867 -15.233 8.816 -26.175 1168 2HD PRO 867 HD3 PRO 867 -14.617 7.155 -25.918 1169 H GLU 868 H GLU 868 -16.042 10.526 -24.064 1170 HA GLU 868 HA GLU 868 -16.330 11.982 -21.558 1171 1HB GLU 868 HB2 GLU 868 -16.245 14.220 -22.540 1172 2HB GLU 868 HB3 GLU 868 -14.689 13.414 -22.663 1173 1HG GLU 868 HG2 GLU 868 -15.202 12.859 -25.070 1174 2HG GLU 868 HG3 GLU 868 -16.705 13.773 -24.923 1175 H SER 869 H SER 869 -18.319 13.232 -21.464 1176 HA SER 869 HA SER 869 -20.416 12.763 -23.487 1177 1HB SER 869 HB2 SER 869 -20.320 10.712 -22.004 1178 2HB SER 869 HB3 SER 869 -20.750 11.756 -20.634 1179 HG SER 869 HG SER 869 -22.603 10.767 -21.676 Start of MODEL 12 1 1H LYS 291 H1 LYS 291 6.527 4.288 -3.131 2 2H LYS 291 H2 LYS 291 8.028 3.654 -2.980 3 3H LYS 291 H3 LYS 291 6.758 2.685 -3.321 4 HA LYS 291 HA LYS 291 5.733 3.115 -1.195 5 1HB LYS 291 HB2 LYS 291 8.504 1.920 -1.261 6 2HB LYS 291 HB3 LYS 291 7.717 2.174 0.291 7 1HG LYS 291 HG2 LYS 291 5.814 0.815 -0.299 8 2HG LYS 291 HG3 LYS 291 6.373 0.649 -1.960 9 1HD LYS 291 HD2 LYS 291 6.873 -1.388 -0.769 10 2HD LYS 291 HD3 LYS 291 8.394 -0.577 -1.162 11 1HE LYS 291 HE2 LYS 291 8.503 0.324 1.167 12 2HE LYS 291 HE3 LYS 291 6.967 -0.473 1.542 13 1HZ LYS 291 HZ1 LYS 291 9.478 -1.867 0.765 14 2HZ LYS 291 HZ2 LYS 291 8.855 -1.811 2.272 15 3HZ LYS 291 HZ3 LYS 291 8.062 -2.614 1.093 16 H GLU 292 H GLU 292 9.100 4.206 -0.630 17 HA GLU 292 HA GLU 292 8.900 5.317 1.719 18 1HB GLU 292 HB2 GLU 292 10.899 5.181 0.279 19 2HB GLU 292 HB3 GLU 292 10.408 6.669 -0.538 20 1HG GLU 292 HG2 GLU 292 10.611 7.922 1.575 21 2HG GLU 292 HG3 GLU 292 10.943 6.428 2.458 22 H LYS 293 H LYS 293 8.039 7.424 -1.078 23 HA LYS 293 HA LYS 293 7.329 9.745 0.405 24 1HB LYS 293 HB2 LYS 293 6.364 8.745 -2.221 25 2HB LYS 293 HB3 LYS 293 5.940 10.332 -1.572 26 1HG LYS 293 HG2 LYS 293 8.340 10.933 -1.466 27 2HG LYS 293 HG3 LYS 293 8.776 9.362 -2.167 28 1HD LYS 293 HD2 LYS 293 7.465 9.886 -4.197 29 2HD LYS 293 HD3 LYS 293 7.022 11.462 -3.534 30 1HE LYS 293 HE2 LYS 293 9.881 10.533 -4.082 31 2HE LYS 293 HE3 LYS 293 8.911 11.486 -5.207 32 1HZ LYS 293 HZ1 LYS 293 8.793 13.250 -3.533 33 2HZ LYS 293 HZ2 LYS 293 9.711 12.385 -2.490 34 3HZ LYS 293 HZ3 LYS 293 10.348 12.915 -3.893 35 H ARG 294 H ARG 294 5.050 7.264 -0.799 36 HA ARG 294 HA ARG 294 2.772 8.332 0.627 37 1HB ARG 294 HB2 ARG 294 2.625 6.943 -1.396 38 2HB ARG 294 HB3 ARG 294 3.266 5.545 -0.539 39 1HG ARG 294 HG2 ARG 294 0.777 6.924 0.521 40 2HG ARG 294 HG3 ARG 294 0.667 5.943 -0.931 41 1HD ARG 294 HD2 ARG 294 1.648 4.005 0.320 42 2HD ARG 294 HD3 ARG 294 1.566 4.937 1.814 43 HE ARG 294 HE ARG 294 -0.895 5.126 1.468 44 1HH1 ARG 294 HH11 ARG 294 0.653 2.414 -0.219 45 2HH1 ARG 294 HH12 ARG 294 -0.911 1.597 -0.339 46 1HH2 ARG 294 HH21 ARG 294 -2.789 3.916 1.124 47 2HH2 ARG 294 HH22 ARG 294 -2.612 2.344 0.339 48 H ILE 295 H ILE 295 5.168 5.857 1.433 49 HA ILE 295 HA ILE 295 3.938 4.819 3.794 50 HB ILE 295 HB ILE 295 6.797 5.006 2.819 51 1HG1 ILE 295 HG12 ILE 295 5.211 3.541 1.585 52 2HG1 ILE 295 HG13 ILE 295 6.595 2.702 2.267 53 1HG2 ILE 295 HG21 ILE 295 5.895 3.719 5.402 54 2HG2 ILE 295 HG22 ILE 295 7.393 3.277 4.554 55 3HG2 ILE 295 HG23 ILE 295 7.165 4.922 5.150 56 1HD1 ILE 295 HD11 ILE 295 3.821 2.687 3.537 57 2HD1 ILE 295 HD12 ILE 295 4.430 1.475 2.380 58 3HD1 ILE 295 HD13 ILE 295 5.229 1.667 3.945 59 H LYS 296 H LYS 296 6.281 7.554 3.467 60 HA LYS 296 HA LYS 296 5.920 8.273 6.271 61 1HB LYS 296 HB2 LYS 296 7.999 8.785 4.977 62 2HB LYS 296 HB3 LYS 296 7.084 9.899 3.962 63 1HG LYS 296 HG2 LYS 296 8.351 11.110 5.663 64 2HG LYS 296 HG3 LYS 296 6.624 11.341 5.924 65 1HD LYS 296 HD2 LYS 296 6.688 9.611 7.743 66 2HD LYS 296 HD3 LYS 296 8.428 9.406 7.453 67 1HE LYS 296 HE2 LYS 296 8.711 11.861 8.011 68 2HE LYS 296 HE3 LYS 296 6.981 11.924 8.385 69 1HZ LYS 296 HZ1 LYS 296 7.421 10.106 10.044 70 2HZ LYS 296 HZ2 LYS 296 9.020 10.284 9.786 71 3HZ LYS 296 HZ3 LYS 296 8.165 11.524 10.419 72 H GLU 297 H GLU 297 4.450 9.415 3.225 73 HA GLU 297 HA GLU 297 2.973 11.596 4.164 74 1HB GLU 297 HB2 GLU 297 3.181 10.797 1.786 75 2HB GLU 297 HB3 GLU 297 2.060 9.498 2.170 76 1HG GLU 297 HG2 GLU 297 0.308 11.194 2.692 77 2HG GLU 297 HG3 GLU 297 1.483 12.454 2.292 78 H LEU 298 H LEU 298 1.916 8.142 4.202 79 HA LEU 298 HA LEU 298 -0.611 8.535 5.403 80 1HB LEU 298 HB2 LEU 298 0.226 6.439 4.302 81 2HB LEU 298 HB3 LEU 298 1.309 6.170 5.661 82 HG LEU 298 HG LEU 298 -0.860 6.207 7.141 83 1HD1 LEU 298 HD11 LEU 298 -2.903 5.486 5.979 84 2HD1 LEU 298 HD12 LEU 298 -2.418 7.099 5.442 85 3HD1 LEU 298 HD13 LEU 298 -2.099 5.690 4.404 86 1HD2 LEU 298 HD21 LEU 298 -1.310 3.846 6.652 87 2HD2 LEU 298 HD22 LEU 298 -0.314 3.969 5.175 88 3HD2 LEU 298 HD23 LEU 298 0.416 4.231 6.783 89 H GLU 299 H GLU 299 2.568 8.027 6.963 90 HA GLU 299 HA GLU 299 1.570 8.008 9.666 91 1HB GLU 299 HB2 GLU 299 3.796 7.087 8.842 92 2HB GLU 299 HB3 GLU 299 4.346 8.750 8.635 93 1HG GLU 299 HG2 GLU 299 3.899 9.157 11.086 94 2HG GLU 299 HG3 GLU 299 3.490 7.448 11.253 95 H LEU 300 H LEU 300 3.053 10.548 7.628 96 HA LEU 300 HA LEU 300 3.069 12.623 9.567 97 1HB LEU 300 HB2 LEU 300 4.515 12.388 7.526 98 2HB LEU 300 HB3 LEU 300 3.111 12.747 6.523 99 HG LEU 300 HG LEU 300 2.991 15.029 7.593 100 1HD1 LEU 300 HD11 LEU 300 5.690 14.238 8.790 101 2HD1 LEU 300 HD12 LEU 300 4.951 15.853 8.833 102 3HD1 LEU 300 HD13 LEU 300 4.204 14.524 9.718 103 1HD2 LEU 300 HD21 LEU 300 4.121 14.673 5.443 104 2HD2 LEU 300 HD22 LEU 300 4.953 15.916 6.391 105 3HD2 LEU 300 HD23 LEU 300 5.637 14.276 6.282 106 H LEU 301 H LEU 301 0.552 11.679 7.237 107 HA LEU 301 HA LEU 301 -1.015 13.959 7.112 108 1HB LEU 301 HB2 LEU 301 -1.505 11.001 6.965 109 2HB LEU 301 HB3 LEU 301 -2.931 11.984 7.184 110 HG LEU 301 HG LEU 301 -0.956 12.471 4.923 111 1HD1 LEU 301 HD11 LEU 301 -2.633 11.334 3.500 112 2HD1 LEU 301 HD12 LEU 301 -1.985 10.233 4.721 113 3HD1 LEU 301 HD13 LEU 301 -3.600 10.935 4.939 114 1HD2 LEU 301 HD21 LEU 301 -2.854 13.710 3.933 115 2HD2 LEU 301 HD22 LEU 301 -3.824 13.409 5.390 116 3HD2 LEU 301 HD23 LEU 301 -2.372 14.430 5.471 117 H LEU 302 H LEU 302 -1.103 11.574 9.781 118 HA LEU 302 HA LEU 302 -3.186 12.995 11.249 119 1HB LEU 302 HB2 LEU 302 -1.258 10.747 11.875 120 2HB LEU 302 HB3 LEU 302 -2.286 11.421 13.141 121 HG LEU 302 HG LEU 302 -3.417 10.326 10.558 122 1HD1 LEU 302 HD11 LEU 302 -2.248 8.552 11.623 123 2HD1 LEU 302 HD12 LEU 302 -2.850 9.024 13.249 124 3HD1 LEU 302 HD13 LEU 302 -3.962 8.371 12.031 125 1HD2 LEU 302 HD21 LEU 302 -5.494 10.161 11.752 126 2HD2 LEU 302 HD22 LEU 302 -4.729 10.573 13.290 127 3HD2 LEU 302 HD23 LEU 302 -4.918 11.813 12.028 128 H MET 303 H MET 303 0.233 13.556 10.934 129 HA MET 303 HA MET 303 0.408 15.027 13.466 130 1HB MET 303 HB2 MET 303 2.370 13.833 12.432 131 2HB MET 303 HB3 MET 303 2.384 15.053 11.162 132 1HG MET 303 HG2 MET 303 2.644 16.822 12.902 133 2HG MET 303 HG3 MET 303 2.672 15.573 14.146 134 1HE MET 303 HE1 MET 303 4.492 13.841 14.474 135 2HE MET 303 HE2 MET 303 4.620 13.272 12.791 136 3HE MET 303 HE3 MET 303 6.072 13.811 13.659 137 H SER 304 H SER 304 0.175 15.682 9.937 138 HA SER 304 HA SER 304 0.149 18.488 9.905 139 1HB SER 304 HB2 SER 304 -1.433 16.555 8.167 140 2HB SER 304 HB3 SER 304 -1.182 18.270 7.813 141 HG SER 304 HG SER 304 1.043 17.894 7.680 142 H THR 305 H THR 305 -2.480 16.331 10.911 143 HA THR 305 HA THR 305 -4.690 18.002 11.066 144 HB THR 305 HB THR 305 -3.582 16.020 13.141 145 HG1 THR 305 HG1 THR 305 -4.828 14.618 12.135 146 1HG2 THR 305 HG21 THR 305 -5.257 17.337 14.301 147 2HG2 THR 305 HG22 THR 305 -6.312 17.380 12.886 148 3HG2 THR 305 HG23 THR 305 -6.080 15.863 13.779 149 H GLU 306 H GLU 306 -1.823 18.113 13.231 150 HA GLU 306 HA GLU 306 -2.925 19.927 15.147 151 1HB GLU 306 HB2 GLU 306 -0.030 19.500 14.299 152 2HB GLU 306 HB3 GLU 306 -0.569 20.339 15.756 153 1HG GLU 306 HG2 GLU 306 -1.596 18.264 16.605 154 2HG GLU 306 HG3 GLU 306 -1.134 17.402 15.137 155 H ASN 307 H ASN 307 -1.417 20.474 11.997 156 HA ASN 307 HA ASN 307 -1.333 23.409 12.276 157 1HB ASN 307 HB2 ASN 307 0.439 22.288 11.021 158 2HB ASN 307 HB3 ASN 307 -0.742 21.520 9.961 159 1HD2 ASN 307 HD22 ASN 307 -1.066 22.541 8.047 160 2HD2 ASN 307 HD21 ASN 307 -0.885 24.272 7.788 161 H GLU 308 H GLU 308 -3.329 20.962 10.517 162 HA GLU 308 HA GLU 308 -4.948 22.757 9.051 163 1HB GLU 308 HB2 GLU 308 -5.689 20.047 10.243 164 2HB GLU 308 HB3 GLU 308 -6.663 20.943 9.073 165 1HG GLU 308 HG2 GLU 308 -4.666 20.938 7.523 166 2HG GLU 308 HG3 GLU 308 -3.874 19.826 8.613 167 H LEU 309 H LEU 309 -5.193 21.908 12.438 168 HA LEU 309 HA LEU 309 -7.766 23.194 12.901 169 1HB LEU 309 HB2 LEU 309 -5.650 21.750 14.480 170 2HB LEU 309 HB3 LEU 309 -6.740 22.797 15.369 171 HG LEU 309 HG LEU 309 -8.673 21.602 14.761 172 1HD1 LEU 309 HD11 LEU 309 -8.295 21.055 12.385 173 2HD1 LEU 309 HD12 LEU 309 -7.050 19.876 12.848 174 3HD1 LEU 309 HD13 LEU 309 -8.744 19.629 13.311 175 1HD2 LEU 309 HD21 LEU 309 -6.461 19.569 15.255 176 2HD2 LEU 309 HD22 LEU 309 -7.250 20.565 16.505 177 3HD2 LEU 309 HD23 LEU 309 -8.190 19.362 15.601 178 H LYS 310 H LYS 310 -4.813 24.645 12.294 179 HA LYS 310 HA LYS 310 -5.748 27.174 13.574 180 1HB LYS 310 HB2 LYS 310 -3.554 27.676 14.477 181 2HB LYS 310 HB3 LYS 310 -4.179 26.176 15.155 182 1HG LYS 310 HG2 LYS 310 -2.735 24.857 13.656 183 2HG LYS 310 HG3 LYS 310 -2.129 26.338 12.892 184 1HD LYS 310 HD2 LYS 310 -1.157 27.075 15.028 185 2HD LYS 310 HD3 LYS 310 -1.816 25.639 15.845 186 1HE LYS 310 HE2 LYS 310 -0.481 24.165 14.392 187 2HE LYS 310 HE3 LYS 310 0.152 25.567 13.514 188 1HZ LYS 310 HZ1 LYS 310 0.606 25.039 16.406 189 2HZ LYS 310 HZ2 LYS 310 1.706 24.792 15.226 190 3HZ LYS 310 HZ3 LYS 310 1.212 26.307 15.572 191 H GLY 311 H GLY 311 -4.445 25.760 10.739 192 1HA GLY 311 HA2 GLY 311 -4.528 28.308 9.319 193 2HA GLY 311 HA3 GLY 311 -2.888 27.742 9.610 194 H GLN 312 H GLN 312 -3.468 28.128 7.161 195 HA GLN 312 HA GLN 312 -4.604 26.011 5.613 196 1HB GLN 312 HB2 GLN 312 -3.630 27.186 3.729 197 2HB GLN 312 HB3 GLN 312 -4.339 28.313 4.862 198 1HG GLN 312 HG2 GLN 312 -2.368 29.390 4.304 199 2HG GLN 312 HG3 GLN 312 -1.950 28.651 5.828 200 1HE2 GLN 312 HE22 GLN 312 0.350 28.796 5.218 201 2HE2 GLN 312 HE21 GLN 312 0.997 27.646 4.056 202 H GLN 313 H GLN 313 -3.432 24.645 4.055 203 HA GLN 313 HA GLN 313 -0.893 23.497 5.112 204 1HB GLN 313 HB2 GLN 313 -1.972 21.222 4.919 205 2HB GLN 313 HB3 GLN 313 -2.524 22.245 6.223 206 1HG GLN 313 HG2 GLN 313 -4.358 20.991 5.183 207 2HG GLN 313 HG3 GLN 313 -4.617 22.724 5.128 208 1HE2 GLN 313 HE22 GLN 313 -4.098 19.813 3.180 209 2HE2 GLN 313 HE21 GLN 313 -4.398 20.608 1.641 210 H ALA 314 H ALA 314 -1.554 25.066 2.594 211 HA ALA 314 HA ALA 314 -1.265 23.200 0.376 212 1HB ALA 314 HB1 ALA 314 -0.873 26.218 0.535 213 2HB ALA 314 HB2 ALA 314 -1.008 25.256 -0.950 214 3HB ALA 314 HB3 ALA 314 -2.396 25.382 0.145 215 H LEU 315 H LEU 315 0.530 23.221 -1.106 216 HA LEU 315 HA LEU 315 3.090 22.687 0.053 217 1HB LEU 315 HB2 LEU 315 2.139 21.604 -1.991 218 2HB LEU 315 HB3 LEU 315 2.265 23.140 -2.849 219 HG LEU 315 HG LEU 315 4.741 23.064 -2.631 220 1HD1 LEU 315 HD11 LEU 315 5.011 21.732 -0.592 221 2HD1 LEU 315 HD12 LEU 315 4.219 20.336 -1.360 222 3HD1 LEU 315 HD13 LEU 315 5.802 20.906 -1.937 223 1HD2 LEU 315 HD21 LEU 315 3.612 22.123 -4.609 224 2HD2 LEU 315 HD22 LEU 315 5.080 21.214 -4.220 225 3HD2 LEU 315 HD23 LEU 315 3.486 20.544 -3.800 226 1H GLY 586 H1 GLY 586 -6.271 4.365 34.354 227 2H GLY 586 H2 GLY 586 -7.681 5.116 34.001 228 3H GLY 586 H3 GLY 586 -6.436 5.169 32.936 229 1HA GLY 586 HA2 GLY 586 -6.464 6.421 35.609 230 2HA GLY 586 HA3 GLY 586 -5.086 6.438 34.496 231 H VAL 587 H VAL 587 -7.677 8.214 35.561 232 HA VAL 587 HA VAL 587 -8.831 9.329 33.217 233 HB VAL 587 HB VAL 587 -8.597 10.569 35.990 234 1HG1 VAL 587 HG11 VAL 587 -10.738 11.695 35.421 235 2HG1 VAL 587 HG12 VAL 587 -9.430 12.227 34.372 236 3HG1 VAL 587 HG13 VAL 587 -10.628 11.060 33.764 237 1HG2 VAL 587 HG21 VAL 587 -10.694 8.689 34.814 238 2HG2 VAL 587 HG22 VAL 587 -9.607 8.343 36.178 239 3HG2 VAL 587 HG23 VAL 587 -10.865 9.560 36.352 240 H ARG 588 H ARG 588 -5.872 10.213 34.874 241 HA ARG 588 HA ARG 588 -5.150 12.168 32.751 242 1HB ARG 588 HB2 ARG 588 -6.304 13.457 34.469 243 2HB ARG 588 HB3 ARG 588 -5.231 12.829 35.720 244 1HG ARG 588 HG2 ARG 588 -3.308 13.978 34.667 245 2HG ARG 588 HG3 ARG 588 -4.351 14.543 33.343 246 1HD ARG 588 HD2 ARG 588 -5.689 15.862 34.891 247 2HD ARG 588 HD3 ARG 588 -4.844 15.184 36.281 248 HE ARG 588 HE ARG 588 -3.669 17.093 34.263 249 1HH1 ARG 588 HH21 ARG 588 -3.448 15.753 37.519 250 2HH1 ARG 588 HH22 ARG 588 -2.223 16.910 37.962 251 1HH2 ARG 588 HH11 ARG 588 -2.218 18.430 34.860 252 2HH2 ARG 588 HH12 ARG 588 -1.506 18.420 36.477 253 H LYS 589 H LYS 589 -3.560 10.839 31.988 254 HA LYS 589 HA LYS 589 -1.495 9.675 33.722 255 1HB LYS 589 HB2 LYS 589 -1.753 9.776 30.689 256 2HB LYS 589 HB3 LYS 589 -0.483 8.927 31.569 257 1HG LYS 589 HG2 LYS 589 -2.191 7.613 32.797 258 2HG LYS 589 HG3 LYS 589 -3.468 8.328 31.821 259 1HD LYS 589 HD2 LYS 589 -1.192 6.992 30.346 260 2HD LYS 589 HD3 LYS 589 -2.249 5.971 31.301 261 1HE LYS 589 HE2 LYS 589 -3.150 5.897 29.168 262 2HE LYS 589 HE3 LYS 589 -4.247 6.919 30.098 263 1HZ LYS 589 HZ1 LYS 589 -3.676 7.771 27.834 264 2HZ LYS 589 HZ2 LYS 589 -3.298 8.852 29.015 265 3HZ LYS 589 HZ3 LYS 589 -2.123 7.931 28.288 266 H GLY 590 H GLY 590 -1.861 12.803 32.790 267 1HA GLY 590 HA2 GLY 590 -0.202 14.312 33.779 268 2HA GLY 590 HA3 GLY 590 1.079 13.381 33.003 269 H TRP 591 H TRP 591 -1.064 13.404 30.624 270 HA TRP 591 HA TRP 591 -0.175 16.008 29.431 271 1HB TRP 591 HB2 TRP 591 0.336 14.754 27.432 272 2HB TRP 591 HB3 TRP 591 1.180 14.067 28.808 273 HD1 TRP 591 HD1 TRP 591 0.755 11.615 29.462 274 HE1 TRP 591 HE1 TRP 591 -0.421 9.644 28.305 275 HE3 TRP 591 HE3 TRP 591 -1.905 14.203 25.918 276 HZ2 TRP 591 HZ2 TRP 591 -2.349 9.257 26.202 277 HZ3 TRP 591 HZ3 TRP 591 -3.378 12.977 24.334 278 HH2 TRP 591 HH2 TRP 591 -3.571 10.526 24.437 279 H HIS 592 H HIS 592 -2.956 14.263 30.170 280 HA HIS 592 HA HIS 592 -4.450 14.248 27.777 281 1HB HIS 592 HB2 HIS 592 -5.307 14.381 30.697 282 2HB HIS 592 HB3 HIS 592 -6.400 14.060 29.364 283 HD1 HIS 592 HD1 HIS 592 -6.819 11.722 30.803 284 HD2 HIS 592 HD2 HIS 592 -3.051 12.211 28.976 285 HE1 HIS 592 HE1 HIS 592 -5.793 9.409 30.658 286 H GLU 593 H GLU 593 -3.970 16.847 30.074 287 HA GLU 593 HA GLU 593 -6.020 18.647 29.167 288 1HB GLU 593 HB2 GLU 593 -4.871 20.222 30.629 289 2HB GLU 593 HB3 GLU 593 -5.041 18.652 31.404 290 1HG GLU 593 HG2 GLU 593 -2.613 18.164 30.659 291 2HG GLU 593 HG3 GLU 593 -2.515 19.866 30.208 292 H HIS 594 H HIS 594 -2.960 17.834 27.720 293 HA HIS 594 HA HIS 594 -2.460 20.400 26.427 294 1HB HIS 594 HB2 HIS 594 -0.725 18.685 26.956 295 2HB HIS 594 HB3 HIS 594 -1.459 17.595 25.784 296 HD1 HIS 594 HD1 HIS 594 -1.637 20.621 23.883 297 HD2 HIS 594 HD2 HIS 594 1.442 18.097 25.239 298 HE1 HIS 594 HE1 HIS 594 0.372 21.073 22.374 299 H VAL 595 H VAL 595 -4.029 17.350 25.485 300 HA VAL 595 HA VAL 595 -4.621 18.139 22.738 301 HB VAL 595 HB VAL 595 -5.690 15.875 24.478 302 1HG1 VAL 595 HG11 VAL 595 -5.806 16.111 21.444 303 2HG1 VAL 595 HG12 VAL 595 -6.315 14.731 22.420 304 3HG1 VAL 595 HG13 VAL 595 -7.202 16.248 22.535 305 1HG2 VAL 595 HG21 VAL 595 -3.399 16.064 22.491 306 2HG2 VAL 595 HG22 VAL 595 -3.352 15.558 24.202 307 3HG2 VAL 595 HG23 VAL 595 -4.107 14.522 22.988 308 H THR 596 H THR 596 -6.633 18.732 21.861 309 HA THR 596 HA THR 596 -8.675 19.829 23.760 310 HB THR 596 HB THR 596 -9.294 21.371 22.000 311 HG1 THR 596 HG1 THR 596 -7.937 21.448 20.120 312 1HG2 THR 596 HG21 THR 596 -7.409 22.033 23.505 313 2HG2 THR 596 HG22 THR 596 -6.259 21.435 22.287 314 3HG2 THR 596 HG23 THR 596 -7.338 22.794 21.906 315 H GLN 597 H GLN 597 -10.949 19.729 23.039 316 HA GLN 597 HA GLN 597 -11.811 17.238 22.018 317 1HB GLN 597 HB2 GLN 597 -13.984 18.220 21.870 318 2HB GLN 597 HB3 GLN 597 -13.212 18.637 23.369 319 1HG GLN 597 HG2 GLN 597 -13.587 20.463 20.938 320 2HG GLN 597 HG3 GLN 597 -14.539 20.510 22.406 321 1HE2 GLN 597 HE22 GLN 597 -12.377 22.393 20.919 322 2HE2 GLN 597 HE21 GLN 597 -11.520 22.991 22.341 323 H ASP 598 H ASP 598 -11.029 20.235 20.242 324 HA ASP 598 HA ASP 598 -12.094 19.349 17.705 325 1HB ASP 598 HB2 ASP 598 -10.002 21.413 18.491 326 2HB ASP 598 HB3 ASP 598 -10.453 21.091 16.819 327 H LEU 599 H LEU 599 -8.845 19.066 19.242 328 HA LEU 599 HA LEU 599 -7.614 17.752 17.027 329 1HB LEU 599 HB2 LEU 599 -6.442 18.880 18.916 330 2HB LEU 599 HB3 LEU 599 -6.951 17.569 19.990 331 HG LEU 599 HG LEU 599 -5.551 15.974 18.806 332 1HD1 LEU 599 HD11 LEU 599 -4.933 18.220 16.833 333 2HD1 LEU 599 HD12 LEU 599 -4.071 16.667 16.913 334 3HD1 LEU 599 HD13 LEU 599 -5.778 16.694 16.482 335 1HD2 LEU 599 HD21 LEU 599 -3.331 16.908 19.180 336 2HD2 LEU 599 HD22 LEU 599 -3.959 18.565 19.076 337 3HD2 LEU 599 HD23 LEU 599 -4.409 17.528 20.438 338 H ARG 600 H ARG 600 -9.204 16.379 19.947 339 HA ARG 600 HA ARG 600 -9.010 13.603 19.183 340 1HB ARG 600 HB2 ARG 600 -11.023 15.155 20.857 341 2HB ARG 600 HB3 ARG 600 -11.118 13.407 20.659 342 1HG ARG 600 HG2 ARG 600 -9.272 12.970 21.967 343 2HG ARG 600 HG3 ARG 600 -8.472 14.492 21.557 344 1HD ARG 600 HD2 ARG 600 -10.011 15.755 22.909 345 2HD ARG 600 HD3 ARG 600 -10.944 14.301 23.323 346 HE ARG 600 HE ARG 600 -8.841 13.462 24.467 347 1HH1 ARG 600 HH11 ARG 600 -9.453 16.892 24.266 348 2HH1 ARG 600 HH12 ARG 600 -8.273 17.280 25.497 349 1HH2 ARG 600 HH21 ARG 600 -7.621 14.013 26.301 350 2HH2 ARG 600 HH22 ARG 600 -7.282 15.689 26.614 351 H SER 601 H SER 601 -11.748 15.887 18.638 352 HA SER 601 HA SER 601 -13.399 14.243 17.092 353 1HB SER 601 HB2 SER 601 -12.831 17.199 16.634 354 2HB SER 601 HB3 SER 601 -14.213 16.304 15.979 355 HG SER 601 HG SER 601 -13.633 16.888 18.689 356 H HIS 602 H HIS 602 -10.794 16.377 15.776 357 HA HIS 602 HA HIS 602 -11.281 15.504 13.074 358 1HB HIS 602 HB2 HIS 602 -10.388 17.715 13.745 359 2HB HIS 602 HB3 HIS 602 -8.888 16.953 14.241 360 HD1 HIS 602 HD1 HIS 602 -10.516 18.497 11.284 361 HD2 HIS 602 HD2 HIS 602 -7.711 15.436 11.958 362 HE1 HIS 602 HE1 HIS 602 -9.374 18.064 9.047 363 H LEU 603 H LEU 603 -8.829 14.468 15.550 364 HA LEU 603 HA LEU 603 -7.483 12.700 13.724 365 1HB LEU 603 HB2 LEU 603 -7.653 12.716 16.753 366 2HB LEU 603 HB3 LEU 603 -6.709 11.536 15.857 367 HG LEU 603 HG LEU 603 -6.273 14.550 15.779 368 1HD1 LEU 603 HD11 LEU 603 -5.547 13.457 17.897 369 2HD1 LEU 603 HD12 LEU 603 -4.536 12.342 16.945 370 3HD1 LEU 603 HD13 LEU 603 -4.185 14.083 16.942 371 1HD2 LEU 603 HD21 LEU 603 -5.561 13.499 13.637 372 2HD2 LEU 603 HD22 LEU 603 -4.215 14.133 14.582 373 3HD2 LEU 603 HD23 LEU 603 -4.524 12.391 14.566 374 H VAL 604 H VAL 604 -10.430 12.134 15.711 375 HA VAL 604 HA VAL 604 -10.753 9.374 14.942 376 HB VAL 604 HB VAL 604 -12.828 11.512 15.560 377 1HG1 VAL 604 HG11 VAL 604 -14.464 9.696 15.813 378 2HG1 VAL 604 HG12 VAL 604 -13.936 9.815 14.148 379 3HG1 VAL 604 HG13 VAL 604 -13.283 8.520 15.180 380 1HG2 VAL 604 HG21 VAL 604 -11.418 10.783 17.476 381 2HG2 VAL 604 HG22 VAL 604 -13.101 10.305 17.668 382 3HG2 VAL 604 HG23 VAL 604 -11.896 9.101 17.168 383 H HIS 605 H HIS 605 -11.968 12.377 13.334 384 HA HIS 605 HA HIS 605 -13.174 11.067 11.124 385 1HB HIS 605 HB2 HIS 605 -13.653 13.385 11.684 386 2HB HIS 605 HB3 HIS 605 -11.979 13.851 11.395 387 HD1 HIS 605 HD1 HIS 605 -15.092 12.750 9.378 388 HD2 HIS 605 HD2 HIS 605 -11.241 14.390 8.915 389 HE1 HIS 605 HE1 HIS 605 -14.910 13.473 6.939 390 H LYS 606 H LYS 606 -9.844 12.324 11.394 391 HA LYS 606 HA LYS 606 -9.087 11.442 8.744 392 1HB LYS 606 HB2 LYS 606 -7.953 13.277 9.957 393 2HB LYS 606 HB3 LYS 606 -7.286 12.097 11.104 394 1HG LYS 606 HG2 LYS 606 -6.093 10.959 9.309 395 2HG LYS 606 HG3 LYS 606 -6.861 11.954 8.072 396 1HD LYS 606 HD2 LYS 606 -5.155 13.227 10.231 397 2HD LYS 606 HD3 LYS 606 -4.424 12.382 8.883 398 1HE LYS 606 HE2 LYS 606 -4.404 14.381 7.918 399 2HE LYS 606 HE3 LYS 606 -6.053 13.964 7.435 400 1HZ LYS 606 HZ1 LYS 606 -6.854 15.366 9.250 401 2HZ LYS 606 HZ2 LYS 606 -5.354 15.499 9.886 402 3HZ LYS 606 HZ3 LYS 606 -5.699 16.226 8.475 403 H LEU 607 H LEU 607 -8.927 9.830 11.908 404 HA LEU 607 HA LEU 607 -7.589 7.463 11.120 405 1HB LEU 607 HB2 LEU 607 -9.318 8.281 13.344 406 2HB LEU 607 HB3 LEU 607 -9.753 6.690 12.812 407 HG LEU 607 HG LEU 607 -7.518 5.845 13.221 408 1HD1 LEU 607 HD11 LEU 607 -6.793 8.597 14.316 409 2HD1 LEU 607 HD12 LEU 607 -5.786 7.133 14.335 410 3HD1 LEU 607 HD13 LEU 607 -6.170 7.922 12.801 411 1HD2 LEU 607 HD21 LEU 607 -9.188 5.865 15.026 412 2HD2 LEU 607 HD22 LEU 607 -7.538 6.006 15.647 413 3HD2 LEU 607 HD23 LEU 607 -8.575 7.446 15.561 414 H VAL 608 H VAL 608 -11.121 8.155 10.965 415 HA VAL 608 HA VAL 608 -11.964 5.823 9.650 416 HB VAL 608 HB VAL 608 -13.039 8.652 9.406 417 1HG1 VAL 608 HG11 VAL 608 -14.391 6.072 8.569 418 2HG1 VAL 608 HG12 VAL 608 -15.157 7.667 8.648 419 3HG1 VAL 608 HG13 VAL 608 -13.878 7.372 7.470 420 1HG2 VAL 608 HG21 VAL 608 -14.710 7.902 11.007 421 2HG2 VAL 608 HG22 VAL 608 -14.031 6.257 10.993 422 3HG2 VAL 608 HG23 VAL 608 -13.112 7.606 11.685 423 H GLN 609 H GLN 609 -10.706 8.803 8.055 424 HA GLN 609 HA GLN 609 -11.195 7.887 5.411 425 1HB GLN 609 HB2 GLN 609 -8.917 9.751 6.138 426 2HB GLN 609 HB3 GLN 609 -9.769 9.618 4.607 427 1HG GLN 609 HG2 GLN 609 -10.675 10.930 7.142 428 2HG GLN 609 HG3 GLN 609 -10.595 11.598 5.534 429 1HE2 GLN 609 HE22 GLN 609 -12.740 10.546 7.845 430 2HE2 GLN 609 HE21 GLN 609 -14.096 10.150 6.780 431 H ALA 610 H ALA 610 -8.502 6.993 7.506 432 HA ALA 610 HA ALA 610 -7.171 5.664 5.176 433 1HB ALA 610 HB1 ALA 610 -5.242 5.406 6.662 434 2HB ALA 610 HB2 ALA 610 -5.702 7.112 6.424 435 3HB ALA 610 HB3 ALA 610 -6.122 6.275 7.936 436 H ILE 611 H ILE 611 -8.854 4.938 8.232 437 HA ILE 611 HA ILE 611 -8.281 2.125 8.296 438 HB ILE 611 HB ILE 611 -10.646 3.735 9.311 439 1HG1 ILE 611 HG12 ILE 611 -8.420 2.328 10.863 440 2HG1 ILE 611 HG13 ILE 611 -8.288 3.989 10.357 441 1HG2 ILE 611 HG21 ILE 611 -11.357 1.393 8.875 442 2HG2 ILE 611 HG22 ILE 611 -10.012 0.788 9.843 443 3HG2 ILE 611 HG23 ILE 611 -11.322 1.735 10.590 444 1HD1 ILE 611 HD11 ILE 611 -10.377 2.891 12.277 445 2HD1 ILE 611 HD12 ILE 611 -9.013 3.951 12.652 446 3HD1 ILE 611 HD13 ILE 611 -10.349 4.554 11.651 447 H PHE 612 H PHE 612 -10.913 3.998 6.646 448 HA PHE 612 HA PHE 612 -10.806 1.941 4.515 449 1HB PHE 612 HB2 PHE 612 -12.681 1.290 5.812 450 2HB PHE 612 HB3 PHE 612 -13.283 2.932 5.889 451 HD1 PHE 612 HD1 PHE 612 -12.179 2.169 2.478 452 HD2 PHE 612 HD2 PHE 612 -15.386 1.538 5.296 453 HE1 PHE 612 HE1 PHE 612 -13.779 2.133 0.628 454 HE2 PHE 612 HE2 PHE 612 -16.988 1.404 3.408 455 HZ PHE 612 HZ PHE 612 -16.200 1.738 1.087 456 HA PRO 613 HA PRO 613 -10.452 6.053 2.453 457 1HB PRO 613 HB2 PRO 613 -9.290 5.163 0.151 458 2HB PRO 613 HB3 PRO 613 -8.381 5.457 1.664 459 1HG PRO 613 HG2 PRO 613 -9.438 2.817 0.618 460 2HG PRO 613 HG3 PRO 613 -7.806 3.181 1.259 461 1HD PRO 613 HD2 PRO 613 -9.758 2.042 2.768 462 2HD PRO 613 HD3 PRO 613 -8.585 3.182 3.484 463 H THR 614 H THR 614 -12.635 6.224 2.419 464 HA THR 614 HA THR 614 -14.573 4.698 1.317 465 HB THR 614 HB THR 614 -14.839 6.578 2.814 466 HG1 THR 614 HG1 THR 614 -16.695 7.246 0.936 467 1HG2 THR 614 HG21 THR 614 -13.595 8.364 1.589 468 2HG2 THR 614 HG22 THR 614 -14.869 8.383 0.350 469 3HG2 THR 614 HG23 THR 614 -15.235 8.859 2.015 470 HA PRO 615 HA PRO 615 -14.154 4.870 -3.052 471 1HB PRO 615 HB2 PRO 615 -16.606 3.994 -3.935 472 2HB PRO 615 HB3 PRO 615 -15.426 2.945 -3.092 473 1HG PRO 615 HG2 PRO 615 -17.791 4.377 -1.887 474 2HG PRO 615 HG3 PRO 615 -17.314 2.658 -1.693 475 1HD PRO 615 HD2 PRO 615 -16.633 4.506 0.165 476 2HD PRO 615 HD3 PRO 615 -15.484 3.239 -0.294 477 H ASP 616 H ASP 616 -16.848 6.537 -1.571 478 HA ASP 616 HA ASP 616 -16.579 8.950 -3.216 479 1HB ASP 616 HB2 ASP 616 -19.183 7.396 -2.910 480 2HB ASP 616 HB3 ASP 616 -19.121 9.040 -3.465 481 HA PRO 617 HA PRO 617 -17.495 10.519 0.878 482 1HB PRO 617 HB2 PRO 617 -18.684 12.954 0.439 483 2HB PRO 617 HB3 PRO 617 -16.950 12.622 0.154 484 1HG PRO 617 HG2 PRO 617 -19.196 12.696 -1.863 485 2HG PRO 617 HG3 PRO 617 -17.547 13.379 -2.007 486 1HD PRO 617 HD2 PRO 617 -18.312 10.972 -3.093 487 2HD PRO 617 HD3 PRO 617 -16.644 11.261 -2.565 488 H ALA 618 H ALA 618 -20.153 10.076 -1.382 489 HA ALA 618 HA ALA 618 -22.332 10.180 0.486 490 1HB ALA 618 HB1 ALA 618 -23.513 8.897 -1.263 491 2HB ALA 618 HB2 ALA 618 -22.611 10.253 -1.963 492 3HB ALA 618 HB3 ALA 618 -21.975 8.595 -2.099 493 H ALA 619 H ALA 619 -19.909 7.627 -0.194 494 HA ALA 619 HA ALA 619 -21.412 5.513 1.085 495 1HB ALA 619 HB1 ALA 619 -19.763 5.012 -0.617 496 2HB ALA 619 HB2 ALA 619 -18.478 5.752 0.346 497 3HB ALA 619 HB3 ALA 619 -19.265 4.268 0.914 498 H LEU 620 H LEU 620 -19.370 8.075 2.401 499 HA LEU 620 HA LEU 620 -18.901 6.975 5.010 500 1HB LEU 620 HB2 LEU 620 -19.360 9.848 4.105 501 2HB LEU 620 HB3 LEU 620 -18.749 9.369 5.672 502 HG LEU 620 HG LEU 620 -17.326 8.869 3.033 503 1HD1 LEU 620 HD11 LEU 620 -15.745 10.582 3.851 504 2HD1 LEU 620 HD12 LEU 620 -17.377 11.243 3.651 505 3HD1 LEU 620 HD13 LEU 620 -16.771 10.853 5.277 506 1HD2 LEU 620 HD21 LEU 620 -16.499 8.343 5.926 507 2HD2 LEU 620 HD22 LEU 620 -16.705 7.150 4.621 508 3HD2 LEU 620 HD23 LEU 620 -15.380 8.316 4.544 509 H LYS 621 H LYS 621 -21.785 8.265 3.510 510 HA LYS 621 HA LYS 621 -23.232 8.718 6.034 511 1HB LYS 621 HB2 LYS 621 -24.272 8.790 3.169 512 2HB LYS 621 HB3 LYS 621 -25.042 9.465 4.603 513 1HG LYS 621 HG2 LYS 621 -23.156 11.060 4.873 514 2HG LYS 621 HG3 LYS 621 -22.405 10.427 3.395 515 1HD LYS 621 HD2 LYS 621 -24.412 11.058 2.089 516 2HD LYS 621 HD3 LYS 621 -25.143 11.766 3.536 517 1HE LYS 621 HE2 LYS 621 -22.488 12.627 2.285 518 2HE LYS 621 HE3 LYS 621 -24.037 13.425 2.004 519 1HZ LYS 621 HZ1 LYS 621 -24.145 13.933 4.386 520 2HZ LYS 621 HZ2 LYS 621 -22.697 13.219 4.649 521 3HZ LYS 621 HZ3 LYS 621 -22.791 14.564 3.733 522 H ASP 622 H ASP 622 -22.652 5.972 4.098 523 HA ASP 622 HA ASP 622 -25.194 4.661 4.248 524 1HB ASP 622 HB2 ASP 622 -23.306 4.093 2.683 525 2HB ASP 622 HB3 ASP 622 -22.438 3.387 4.050 526 H ARG 623 H ARG 623 -26.069 3.273 5.700 527 HA ARG 623 HA ARG 623 -25.602 3.376 8.446 528 1HB ARG 623 HB2 ARG 623 -26.984 1.309 8.572 529 2HB ARG 623 HB3 ARG 623 -27.694 2.595 7.600 530 1HG ARG 623 HG2 ARG 623 -27.169 1.465 5.529 531 2HG ARG 623 HG3 ARG 623 -26.162 0.262 6.357 532 1HD ARG 623 HD2 ARG 623 -28.053 -0.640 7.522 533 2HD ARG 623 HD3 ARG 623 -29.137 0.606 6.849 534 HE ARG 623 HE ARG 623 -27.919 -0.699 4.662 535 1HH1 ARG 623 HH21 ARG 623 -30.165 -1.601 7.195 536 2HH1 ARG 623 HH22 ARG 623 -30.916 -2.834 6.218 537 1HH2 ARG 623 HH11 ARG 623 -28.924 -2.282 3.467 538 2HH2 ARG 623 HH12 ARG 623 -30.228 -3.201 4.160 539 H ARG 624 H ARG 624 -24.047 1.103 6.195 540 HA ARG 624 HA ARG 624 -22.886 -0.511 8.325 541 1HB ARG 624 HB2 ARG 624 -23.433 -1.163 5.876 542 2HB ARG 624 HB3 ARG 624 -21.953 -0.321 5.434 543 1HG ARG 624 HG2 ARG 624 -21.519 -2.677 5.601 544 2HG ARG 624 HG3 ARG 624 -20.673 -1.890 6.942 545 1HD ARG 624 HD2 ARG 624 -22.368 -2.620 8.515 546 2HD ARG 624 HD3 ARG 624 -23.421 -3.173 7.212 547 HE ARG 624 HE ARG 624 -21.748 -4.905 6.665 548 1HH1 ARG 624 HH21 ARG 624 -21.578 -3.647 9.972 549 2HH1 ARG 624 HH22 ARG 624 -20.768 -5.111 10.522 550 1HH2 ARG 624 HH12 ARG 624 -20.814 -6.711 7.517 551 2HH2 ARG 624 HH11 ARG 624 -20.517 -6.802 9.239 552 H MET 625 H MET 625 -21.802 2.386 6.629 553 HA MET 625 HA MET 625 -19.053 2.250 7.524 554 1HB MET 625 HB2 MET 625 -20.466 3.863 5.755 555 2HB MET 625 HB3 MET 625 -20.127 4.968 7.082 556 1HG MET 625 HG2 MET 625 -18.056 3.244 5.653 557 2HG MET 625 HG3 MET 625 -18.433 4.897 5.223 558 1HE MET 625 HE1 MET 625 -14.707 4.771 6.814 559 2HE MET 625 HE2 MET 625 -15.582 3.681 5.744 560 3HE MET 625 HE3 MET 625 -15.596 5.416 5.418 561 H GLU 626 H GLU 626 -22.030 3.296 9.128 562 HA GLU 626 HA GLU 626 -20.877 4.610 11.337 563 1HB GLU 626 HB2 GLU 626 -23.292 2.778 11.411 564 2HB GLU 626 HB3 GLU 626 -22.825 3.959 12.627 565 1HG GLU 626 HG2 GLU 626 -23.022 5.776 10.898 566 2HG GLU 626 HG3 GLU 626 -23.662 4.584 9.766 567 H ASN 627 H ASN 627 -20.882 1.110 10.684 568 HA ASN 627 HA ASN 627 -19.938 0.369 13.352 569 1HB ASN 627 HB2 ASN 627 -19.640 -1.104 10.686 570 2HB ASN 627 HB3 ASN 627 -19.279 -1.768 12.276 571 1HD2 ASN 627 HD22 ASN 627 -21.387 -1.277 13.882 572 2HD2 ASN 627 HD21 ASN 627 -22.845 -1.926 13.153 573 H LEU 628 H LEU 628 -18.369 1.213 10.289 574 HA LEU 628 HA LEU 628 -15.649 0.755 11.087 575 1HB LEU 628 HB2 LEU 628 -16.733 0.933 8.761 576 2HB LEU 628 HB3 LEU 628 -16.749 2.665 8.987 577 HG LEU 628 HG LEU 628 -14.978 2.003 7.563 578 1HD1 LEU 628 HD11 LEU 628 -13.127 3.157 8.454 579 2HD1 LEU 628 HD12 LEU 628 -14.561 3.903 9.180 580 3HD1 LEU 628 HD13 LEU 628 -13.568 2.776 10.127 581 1HD2 LEU 628 HD21 LEU 628 -14.700 -0.305 8.484 582 2HD2 LEU 628 HD22 LEU 628 -13.191 0.541 8.156 583 3HD2 LEU 628 HD23 LEU 628 -13.761 0.387 9.830 584 H VAL 629 H VAL 629 -17.594 3.717 10.860 585 HA VAL 629 HA VAL 629 -15.912 5.595 12.140 586 HB VAL 629 HB VAL 629 -18.909 5.289 11.929 587 1HG1 VAL 629 HG11 VAL 629 -17.485 7.688 13.121 588 2HG1 VAL 629 HG12 VAL 629 -19.188 7.630 12.595 589 3HG1 VAL 629 HG13 VAL 629 -18.662 6.620 13.938 590 1HG2 VAL 629 HG21 VAL 629 -17.570 5.825 9.875 591 2HG2 VAL 629 HG22 VAL 629 -18.718 7.094 10.307 592 3HG2 VAL 629 HG23 VAL 629 -16.992 7.297 10.673 593 H ALA 630 H ALA 630 -18.293 3.407 13.759 594 HA ALA 630 HA ALA 630 -17.707 4.316 16.408 595 1HB ALA 630 HB1 ALA 630 -19.778 3.137 15.800 596 2HB ALA 630 HB2 ALA 630 -18.853 1.664 15.424 597 3HB ALA 630 HB3 ALA 630 -18.921 2.277 17.090 598 H TYR 631 H TYR 631 -16.387 1.570 14.498 599 HA TYR 631 HA TYR 631 -14.501 0.622 16.419 600 1HB TYR 631 HB2 TYR 631 -15.010 -0.713 14.562 601 2HB TYR 631 HB3 TYR 631 -14.716 0.568 13.404 602 HD1 TYR 631 HD1 TYR 631 -13.081 -2.008 15.527 603 HD2 TYR 631 HD2 TYR 631 -12.498 1.178 12.656 604 HE1 TYR 631 HE1 TYR 631 -10.787 -2.774 15.116 605 HE2 TYR 631 HE2 TYR 631 -10.178 0.369 12.249 606 HH TYR 631 HH TYR 631 -8.611 -1.206 12.744 607 H ALA 632 H ALA 632 -14.112 3.176 13.880 608 HA ALA 632 HA ALA 632 -11.438 3.890 14.534 609 1HB ALA 632 HB1 ALA 632 -12.656 4.549 12.471 610 2HB ALA 632 HB2 ALA 632 -13.680 5.635 13.431 611 3HB ALA 632 HB3 ALA 632 -11.941 5.943 13.308 612 H LYS 633 H LYS 633 -14.550 5.152 15.883 613 HA LYS 633 HA LYS 633 -13.351 6.993 17.758 614 1HB LYS 633 HB2 LYS 633 -15.989 5.477 17.745 615 2HB LYS 633 HB3 LYS 633 -15.539 6.583 19.048 616 1HG LYS 633 HG2 LYS 633 -15.348 8.445 17.536 617 2HG LYS 633 HG3 LYS 633 -15.598 7.412 16.118 618 1HD LYS 633 HD2 LYS 633 -17.885 6.858 16.918 619 2HD LYS 633 HD3 LYS 633 -17.642 7.923 18.322 620 1HE LYS 633 HE2 LYS 633 -17.255 9.840 16.770 621 2HE LYS 633 HE3 LYS 633 -17.537 8.774 15.389 622 1HZ LYS 633 HZ1 LYS 633 -19.544 10.015 15.992 623 2HZ LYS 633 HZ2 LYS 633 -19.808 8.420 16.214 624 3HZ LYS 633 HZ3 LYS 633 -19.540 9.393 17.499 625 H LYS 634 H LYS 634 -14.163 3.530 18.153 626 HA LYS 634 HA LYS 634 -13.251 3.288 20.854 627 1HB LYS 634 HB2 LYS 634 -14.665 1.641 19.475 628 2HB LYS 634 HB3 LYS 634 -13.149 1.089 18.755 629 1HG LYS 634 HG2 LYS 634 -12.336 0.698 21.196 630 2HG LYS 634 HG3 LYS 634 -13.998 1.021 21.680 631 1HD LYS 634 HD2 LYS 634 -13.847 -1.342 21.549 632 2HD LYS 634 HD3 LYS 634 -14.720 -0.847 20.103 633 1HE LYS 634 HE2 LYS 634 -13.168 -2.511 19.413 634 2HE LYS 634 HE3 LYS 634 -12.525 -0.978 18.819 635 1HZ LYS 634 HZ1 LYS 634 -10.954 -0.972 20.698 636 2HZ LYS 634 HZ2 LYS 634 -11.618 -2.338 21.307 637 3HZ LYS 634 HZ3 LYS 634 -10.817 -2.379 19.887 638 H VAL 635 H VAL 635 -11.493 2.608 17.799 639 HA VAL 635 HA VAL 635 -8.977 1.969 18.961 640 HB VAL 635 HB VAL 635 -9.719 3.057 16.228 641 1HG1 VAL 635 HG11 VAL 635 -6.976 2.109 17.173 642 2HG1 VAL 635 HG12 VAL 635 -7.447 2.357 15.476 643 3HG1 VAL 635 HG13 VAL 635 -7.385 3.734 16.576 644 1HG2 VAL 635 HG21 VAL 635 -8.752 0.317 17.182 645 2HG2 VAL 635 HG22 VAL 635 -10.435 0.721 16.800 646 3HG2 VAL 635 HG23 VAL 635 -9.216 0.750 15.524 647 H GLU 636 H GLU 636 -10.219 5.227 17.934 648 HA GLU 636 HA GLU 636 -7.881 6.636 18.621 649 1HB GLU 636 HB2 GLU 636 -9.899 7.528 17.431 650 2HB GLU 636 HB3 GLU 636 -10.733 7.643 18.961 651 1HG GLU 636 HG2 GLU 636 -8.019 8.955 18.473 652 2HG GLU 636 HG3 GLU 636 -9.490 9.728 17.943 653 H GLY 637 H GLY 637 -10.600 5.701 20.744 654 1HA GLY 637 HA2 GLY 637 -9.562 6.771 23.189 655 2HA GLY 637 HA3 GLY 637 -10.760 5.483 23.018 656 H ASP 638 H ASP 638 -9.008 3.570 21.599 657 HA ASP 638 HA ASP 638 -7.724 2.355 23.906 658 1HB ASP 638 HB2 ASP 638 -7.711 1.707 20.922 659 2HB ASP 638 HB3 ASP 638 -6.933 0.722 22.144 660 H MET 639 H MET 639 -6.543 4.090 21.023 661 HA MET 639 HA MET 639 -3.721 3.681 21.584 662 1HB MET 639 HB2 MET 639 -5.188 5.690 19.837 663 2HB MET 639 HB3 MET 639 -3.444 5.409 19.802 664 1HG MET 639 HG2 MET 639 -5.527 3.252 19.219 665 2HG MET 639 HG3 MET 639 -4.781 4.233 17.996 666 1HE MET 639 HE1 MET 639 -3.297 0.356 19.747 667 2HE MET 639 HE2 MET 639 -4.200 1.477 20.790 668 3HE MET 639 HE3 MET 639 -4.923 0.888 19.274 669 H TYR 640 H TYR 640 -6.055 6.252 22.357 670 HA TYR 640 HA TYR 640 -4.292 8.066 23.726 671 1HB TYR 640 HB2 TYR 640 -6.542 8.531 22.837 672 2HB TYR 640 HB3 TYR 640 -7.259 7.436 23.990 673 HD1 TYR 640 HD1 TYR 640 -7.341 8.028 26.427 674 HD2 TYR 640 HD2 TYR 640 -5.959 10.788 23.410 675 HE1 TYR 640 HE1 TYR 640 -7.746 9.934 27.976 676 HE2 TYR 640 HE2 TYR 640 -6.357 12.687 24.955 677 HH TYR 640 HH TYR 640 -7.718 12.190 28.236 678 H GLU 641 H GLU 641 -6.361 5.379 24.945 679 HA GLU 641 HA GLU 641 -5.559 5.502 27.677 680 1HB GLU 641 HB2 GLU 641 -7.551 4.363 26.902 681 2HB GLU 641 HB3 GLU 641 -6.597 3.223 25.946 682 1HG GLU 641 HG2 GLU 641 -5.665 2.224 27.945 683 2HG GLU 641 HG3 GLU 641 -6.423 3.451 28.973 684 H SER 642 H SER 642 -4.001 4.014 24.891 685 HA SER 642 HA SER 642 -2.106 2.453 26.500 686 1HB SER 642 HB2 SER 642 -2.262 2.982 23.513 687 2HB SER 642 HB3 SER 642 -1.139 1.849 24.292 688 HG SER 642 HG SER 642 -3.968 1.757 24.168 689 H ALA 643 H ALA 643 -2.091 5.746 25.707 690 HA ALA 643 HA ALA 643 0.817 5.874 25.175 691 1HB ALA 643 HB1 ALA 643 -0.625 6.919 23.582 692 2HB ALA 643 HB2 ALA 643 -1.467 7.833 24.833 693 3HB ALA 643 HB3 ALA 643 0.236 8.191 24.468 694 H ASN 644 H ASN 644 2.272 6.507 26.555 695 HA ASN 644 HA ASN 644 1.635 7.691 29.166 696 1HB ASN 644 HB2 ASN 644 3.330 5.866 28.762 697 2HB ASN 644 HB3 ASN 644 4.302 7.018 27.851 698 1HD2 ASN 644 HD21 ASN 644 6.021 7.674 29.113 699 2HD2 ASN 644 HD22 ASN 644 5.908 7.994 30.837 700 H SER 645 H SER 645 2.216 9.015 26.053 701 HA SER 645 HA SER 645 2.377 11.712 27.207 702 1HB SER 645 HB2 SER 645 4.274 12.451 26.010 703 2HB SER 645 HB3 SER 645 4.768 10.952 26.805 704 HG SER 645 HG SER 645 5.456 10.913 24.672 705 H ARG 646 H ARG 646 1.973 13.409 25.626 706 HA ARG 646 HA ARG 646 -0.179 12.824 23.827 707 1HB ARG 646 HB2 ARG 646 0.349 14.971 25.105 708 2HB ARG 646 HB3 ARG 646 1.553 15.341 23.882 709 1HG ARG 646 HG2 ARG 646 -1.138 14.646 22.774 710 2HG ARG 646 HG3 ARG 646 -1.141 16.013 23.896 711 1HD ARG 646 HD2 ARG 646 -0.883 17.025 21.843 712 2HD ARG 646 HD3 ARG 646 0.750 17.030 22.524 713 HE ARG 646 HE ARG 646 0.415 14.667 20.947 714 1HH1 ARG 646 HH11 ARG 646 0.697 18.125 20.448 715 2HH1 ARG 646 HH12 ARG 646 1.117 17.942 18.756 716 1HH2 ARG 646 HH21 ARG 646 1.043 14.506 18.821 717 2HH2 ARG 646 HH22 ARG 646 1.243 15.955 17.856 718 H ASP 647 H ASP 647 3.279 13.023 23.292 719 HA ASP 647 HA ASP 647 3.160 13.015 20.371 720 1HB ASP 647 HB2 ASP 647 5.107 13.875 21.594 721 2HB ASP 647 HB3 ASP 647 5.366 12.299 22.343 722 H GLU 648 H GLU 648 3.601 10.499 22.931 723 HA GLU 648 HA GLU 648 3.802 8.293 21.123 724 1HB GLU 648 HB2 GLU 648 4.543 8.289 23.479 725 2HB GLU 648 HB3 GLU 648 2.854 8.318 24.014 726 1HG GLU 648 HG2 GLU 648 2.446 6.140 23.010 727 2HG GLU 648 HG3 GLU 648 4.023 6.154 22.211 728 H TYR 649 H TYR 649 0.960 9.862 22.589 729 HA TYR 649 HA TYR 649 -1.091 8.093 21.737 730 1HB TYR 649 HB2 TYR 649 -1.688 9.731 23.232 731 2HB TYR 649 HB3 TYR 649 -0.818 11.001 22.411 732 HD1 TYR 649 HD1 TYR 649 -3.728 8.710 21.639 733 HD2 TYR 649 HD2 TYR 649 -2.050 12.681 21.445 734 HE1 TYR 649 HE1 TYR 649 -5.898 9.593 20.792 735 HE2 TYR 649 HE2 TYR 649 -4.199 13.546 20.549 736 HH TYR 649 HH TYR 649 -7.111 11.466 20.305 737 H TYR 650 H TYR 650 -0.202 11.127 20.016 738 HA TYR 650 HA TYR 650 -1.299 10.513 17.485 739 1HB TYR 650 HB2 TYR 650 -0.422 12.680 17.665 740 2HB TYR 650 HB3 TYR 650 1.077 12.131 18.415 741 HD1 TYR 650 HD1 TYR 650 3.018 11.648 17.152 742 HD2 TYR 650 HD2 TYR 650 -0.774 12.174 15.129 743 HE1 TYR 650 HE1 TYR 650 4.123 11.264 14.955 744 HE2 TYR 650 HE2 TYR 650 0.339 11.828 12.971 745 HH TYR 650 HH TYR 650 2.281 11.113 11.899 746 H HIS 651 H HIS 651 1.988 9.471 18.640 747 HA HIS 651 HA HIS 651 2.693 8.268 16.173 748 1HB HIS 651 HB2 HIS 651 4.280 8.889 17.962 749 2HB HIS 651 HB3 HIS 651 3.650 7.588 18.976 750 HD1 HIS 651 HD1 HIS 651 4.967 7.586 15.288 751 HD2 HIS 651 HD2 HIS 651 5.366 5.653 19.006 752 HE1 HIS 651 HE1 HIS 651 6.647 5.704 14.936 753 H LEU 652 H LEU 652 1.110 6.784 19.035 754 HA LEU 652 HA LEU 652 0.901 4.131 17.964 755 1HB LEU 652 HB2 LEU 652 -0.592 5.708 20.091 756 2HB LEU 652 HB3 LEU 652 -1.071 4.077 19.676 757 HG LEU 652 HG LEU 652 1.728 4.775 20.655 758 1HD1 LEU 652 HD11 LEU 652 0.971 3.788 22.790 759 2HD1 LEU 652 HD12 LEU 652 -0.013 5.195 22.361 760 3HD1 LEU 652 HD13 LEU 652 -0.660 3.566 22.109 761 1HD2 LEU 652 HD21 LEU 652 1.874 2.339 21.077 762 2HD2 LEU 652 HD22 LEU 652 0.269 2.111 20.350 763 3HD2 LEU 652 HD23 LEU 652 1.649 2.665 19.359 764 H LEU 653 H LEU 653 -1.393 6.910 17.816 765 HA LEU 653 HA LEU 653 -3.454 5.627 16.320 766 1HB LEU 653 HB2 LEU 653 -2.423 8.497 16.239 767 2HB LEU 653 HB3 LEU 653 -3.839 7.965 15.365 768 HG LEU 653 HG LEU 653 -3.602 7.854 18.399 769 1HD1 LEU 653 HD11 LEU 653 -4.845 9.902 16.517 770 2HD1 LEU 653 HD12 LEU 653 -5.168 9.829 18.256 771 3HD1 LEU 653 HD13 LEU 653 -3.530 10.165 17.687 772 1HD2 LEU 653 HD21 LEU 653 -6.076 7.738 16.641 773 2HD2 LEU 653 HD22 LEU 653 -5.310 6.303 17.353 774 3HD2 LEU 653 HD23 LEU 653 -5.967 7.569 18.403 775 H ALA 654 H ALA 654 -0.630 7.485 15.072 776 HA ALA 654 HA ALA 654 -1.210 6.905 12.349 777 1HB ALA 654 HB1 ALA 654 1.015 7.940 11.954 778 2HB ALA 654 HB2 ALA 654 0.094 8.876 13.140 779 3HB ALA 654 HB3 ALA 654 1.398 7.802 13.682 780 H GLU 655 H GLU 655 0.884 5.119 14.671 781 HA GLU 655 HA GLU 655 1.936 3.265 12.736 782 1HB GLU 655 HB2 GLU 655 2.896 3.648 15.009 783 2HB GLU 655 HB3 GLU 655 1.479 2.855 15.716 784 1HG GLU 655 HG2 GLU 655 2.088 0.789 14.320 785 2HG GLU 655 HG3 GLU 655 3.568 1.627 13.858 786 H LYS 656 H LYS 656 -0.985 3.005 14.902 787 HA LYS 656 HA LYS 656 -1.694 0.392 13.779 788 1HB LYS 656 HB2 LYS 656 -2.787 2.225 15.833 789 2HB LYS 656 HB3 LYS 656 -4.047 1.497 14.849 790 1HG LYS 656 HG2 LYS 656 -3.576 0.163 16.818 791 2HG LYS 656 HG3 LYS 656 -3.323 -0.706 15.309 792 1HD LYS 656 HD2 LYS 656 -1.659 -1.386 16.836 793 2HD LYS 656 HD3 LYS 656 -0.853 -0.458 15.583 794 1HE LYS 656 HE2 LYS 656 -0.767 1.530 17.069 795 2HE LYS 656 HE3 LYS 656 -1.676 0.642 18.298 796 1HZ LYS 656 HZ1 LYS 656 0.224 -0.985 18.319 797 2HZ LYS 656 HZ2 LYS 656 1.099 0.063 17.401 798 3HZ LYS 656 HZ3 LYS 656 0.611 0.496 18.881 799 H ILE 657 H ILE 657 -2.392 3.695 12.775 800 HA ILE 657 HA ILE 657 -4.278 2.984 10.701 801 HB ILE 657 HB ILE 657 -2.422 5.290 11.262 802 1HG1 ILE 657 HG12 ILE 657 -4.729 4.747 12.374 803 2HG1 ILE 657 HG13 ILE 657 -4.357 6.380 11.895 804 1HG2 ILE 657 HG21 ILE 657 -2.215 5.276 8.892 805 2HG2 ILE 657 HG22 ILE 657 -3.936 4.949 8.655 806 3HG2 ILE 657 HG23 ILE 657 -3.396 6.522 9.297 807 1HD1 ILE 657 HD11 ILE 657 -5.873 4.544 10.016 808 2HD1 ILE 657 HD12 ILE 657 -6.679 5.435 11.306 809 3HD1 ILE 657 HD13 ILE 657 -5.797 6.333 10.066 810 H TYR 658 H TYR 658 -0.691 3.343 10.634 811 HA TYR 658 HA TYR 658 -0.308 2.362 7.993 812 1HB TYR 658 HB2 TYR 658 1.399 3.514 9.287 813 2HB TYR 658 HB3 TYR 658 1.468 2.205 10.445 814 HD1 TYR 658 HD1 TYR 658 2.481 3.323 7.068 815 HD2 TYR 658 HD2 TYR 658 2.517 0.036 9.886 816 HE1 TYR 658 HE1 TYR 658 4.341 2.312 5.864 817 HE2 TYR 658 HE2 TYR 658 4.404 -0.998 8.633 818 HH TYR 658 HH TYR 658 5.877 0.563 5.767 819 H LYS 659 H LYS 659 -0.464 0.493 11.072 820 HA LYS 659 HA LYS 659 -0.226 -2.110 10.010 821 1HB LYS 659 HB2 LYS 659 -0.266 -1.603 12.426 822 2HB LYS 659 HB3 LYS 659 -1.939 -1.088 12.305 823 1HG LYS 659 HG2 LYS 659 -1.938 -3.214 13.320 824 2HG LYS 659 HG3 LYS 659 -2.655 -3.387 11.718 825 1HD LYS 659 HD2 LYS 659 -0.473 -4.241 10.859 826 2HD LYS 659 HD3 LYS 659 0.212 -4.026 12.492 827 1HE LYS 659 HE2 LYS 659 -1.416 -5.640 13.404 828 2HE LYS 659 HE3 LYS 659 -2.200 -5.796 11.824 829 1HZ LYS 659 HZ1 LYS 659 -0.281 -6.879 10.951 830 2HZ LYS 659 HZ2 LYS 659 0.638 -6.549 12.280 831 3HZ LYS 659 HZ3 LYS 659 -0.600 -7.611 12.363 832 H ILE 660 H ILE 660 -3.328 -0.409 10.608 833 HA ILE 660 HA ILE 660 -5.036 -2.347 9.458 834 HB ILE 660 HB ILE 660 -5.282 0.634 9.920 835 1HG1 ILE 660 HG12 ILE 660 -6.712 -1.707 11.263 836 2HG1 ILE 660 HG13 ILE 660 -5.153 -1.117 11.818 837 1HG2 ILE 660 HG21 ILE 660 -6.805 0.275 8.079 838 2HG2 ILE 660 HG22 ILE 660 -7.449 -1.214 8.816 839 3HG2 ILE 660 HG23 ILE 660 -7.754 0.370 9.551 840 1HD1 ILE 660 HD11 ILE 660 -6.185 1.186 12.104 841 2HD1 ILE 660 HD12 ILE 660 -7.765 0.412 11.832 842 3HD1 ILE 660 HD13 ILE 660 -6.760 -0.075 13.205 843 H GLN 661 H GLN 661 -3.533 0.504 7.873 844 HA GLN 661 HA GLN 661 -4.680 0.003 5.298 845 1HB GLN 661 HB2 GLN 661 -3.729 2.158 6.155 846 2HB GLN 661 HB3 GLN 661 -2.115 1.458 6.077 847 1HG GLN 661 HG2 GLN 661 -2.430 2.858 4.180 848 2HG GLN 661 HG3 GLN 661 -2.409 1.188 3.596 849 1HE2 GLN 661 HE22 GLN 661 -4.421 4.090 4.037 850 2HE2 GLN 661 HE21 GLN 661 -5.774 3.464 3.111 851 H LYS 662 H LYS 662 -1.311 -0.690 6.458 852 HA LYS 662 HA LYS 662 -0.537 -1.902 3.994 853 1HB LYS 662 HB2 LYS 662 0.678 -1.973 6.791 854 2HB LYS 662 HB3 LYS 662 1.514 -2.636 5.412 855 1HG LYS 662 HG2 LYS 662 0.503 0.205 5.243 856 2HG LYS 662 HG3 LYS 662 1.899 -0.143 6.235 857 1HD LYS 662 HD2 LYS 662 2.480 0.657 4.001 858 2HD LYS 662 HD3 LYS 662 3.214 -0.888 4.386 859 1HE LYS 662 HE2 LYS 662 0.666 -0.694 2.719 860 2HE LYS 662 HE3 LYS 662 2.257 -0.448 2.004 861 1HZ LYS 662 HZ1 LYS 662 2.912 -2.666 2.750 862 2HZ LYS 662 HZ2 LYS 662 1.441 -2.959 3.378 863 3HZ LYS 662 HZ3 LYS 662 1.619 -2.787 1.781 864 H GLU 663 H GLU 663 -1.743 -3.394 6.958 865 HA GLU 663 HA GLU 663 -1.157 -6.110 6.231 866 1HB GLU 663 HB2 GLU 663 -1.855 -5.191 8.511 867 2HB GLU 663 HB3 GLU 663 -3.512 -5.147 7.901 868 1HG GLU 663 HG2 GLU 663 -3.216 -7.142 9.195 869 2HG GLU 663 HG3 GLU 663 -3.358 -7.638 7.515 870 H LEU 664 H LEU 664 -3.826 -3.952 5.297 871 HA LEU 664 HA LEU 664 -5.239 -6.111 3.859 872 1HB LEU 664 HB2 LEU 664 -5.811 -3.223 4.531 873 2HB LEU 664 HB3 LEU 664 -6.554 -3.929 3.103 874 HG LEU 664 HG LEU 664 -7.399 -5.840 4.528 875 1HD1 LEU 664 HD11 LEU 664 -5.937 -5.430 6.566 876 2HD1 LEU 664 HD12 LEU 664 -6.884 -3.948 6.854 877 3HD1 LEU 664 HD13 LEU 664 -7.675 -5.531 6.894 878 1HD2 LEU 664 HD21 LEU 664 -8.306 -3.002 5.103 879 2HD2 LEU 664 HD22 LEU 664 -8.832 -4.033 3.754 880 3HD2 LEU 664 HD23 LEU 664 -9.277 -4.458 5.419 881 H GLU 665 H GLU 665 -3.203 -3.250 2.940 882 HA GLU 665 HA GLU 665 -3.808 -3.176 0.254 883 1HB GLU 665 HB2 GLU 665 -1.196 -2.691 1.713 884 2HB GLU 665 HB3 GLU 665 -1.373 -2.368 -0.007 885 1HG GLU 665 HG2 GLU 665 -3.311 -1.144 1.972 886 2HG GLU 665 HG3 GLU 665 -1.725 -0.431 1.689 887 H GLU 666 H GLU 666 -1.229 -5.373 1.587 888 HA GLU 666 HA GLU 666 -0.712 -6.518 -1.012 889 1HB GLU 666 HB2 GLU 666 -0.014 -7.313 1.847 890 2HB GLU 666 HB3 GLU 666 0.314 -8.391 0.504 891 1HG GLU 666 HG2 GLU 666 2.319 -7.304 0.716 892 2HG GLU 666 HG3 GLU 666 1.569 -6.467 -0.631 893 H LYS 667 H LYS 667 -3.416 -6.968 0.955 894 HA LYS 667 HA LYS 667 -4.135 -9.579 -0.343 895 1HB LYS 667 HB2 LYS 667 -5.495 -8.116 1.958 896 2HB LYS 667 HB3 LYS 667 -5.906 -9.708 1.332 897 1HG LYS 667 HG2 LYS 667 -3.362 -8.937 2.815 898 2HG LYS 667 HG3 LYS 667 -4.690 -9.944 3.394 899 1HD LYS 667 HD2 LYS 667 -4.158 -11.585 1.530 900 2HD LYS 667 HD3 LYS 667 -2.715 -10.618 1.167 901 1HE LYS 667 HE2 LYS 667 -1.889 -10.921 3.471 902 2HE LYS 667 HE3 LYS 667 -3.329 -11.862 3.881 903 1HZ LYS 667 HZ1 LYS 667 -1.451 -13.302 3.324 904 2HZ LYS 667 HZ2 LYS 667 -2.643 -13.517 2.232 905 3HZ LYS 667 HZ3 LYS 667 -1.318 -12.647 1.835 906 H ARG 668 H ARG 668 -4.514 -6.285 -0.800 907 HA ARG 668 HA ARG 668 -7.096 -6.552 -2.325 908 1HB ARG 668 HB2 ARG 668 -6.018 -4.238 -0.663 909 2HB ARG 668 HB3 ARG 668 -7.450 -4.136 -1.657 910 1HG ARG 668 HG2 ARG 668 -7.159 -5.961 0.768 911 2HG ARG 668 HG3 ARG 668 -7.936 -4.391 0.734 912 1HD ARG 668 HD2 ARG 668 -9.679 -5.949 0.675 913 2HD ARG 668 HD3 ARG 668 -9.579 -5.321 -0.972 914 HE ARG 668 HE ARG 668 -7.957 -7.695 -0.628 915 1HH1 ARG 668 HH11 ARG 668 -11.380 -6.993 -0.976 916 2HH1 ARG 668 HH12 ARG 668 -11.645 -8.488 -1.840 917 1HH2 ARG 668 HH21 ARG 668 -8.340 -9.470 -1.664 918 2HH2 ARG 668 HH22 ARG 668 -9.953 -9.902 -2.186 919 H ARG 669 H ARG 669 -3.783 -5.697 -2.665 920 HA ARG 669 HA ARG 669 -4.374 -4.737 -5.456 921 1HB ARG 669 HB2 ARG 669 -1.725 -4.532 -3.988 922 2HB ARG 669 HB3 ARG 669 -2.194 -3.728 -5.482 923 1HG ARG 669 HG2 ARG 669 -3.233 -3.147 -2.689 924 2HG ARG 669 HG3 ARG 669 -2.127 -2.154 -3.615 925 1HD ARG 669 HD2 ARG 669 -3.818 -1.380 -5.064 926 2HD ARG 669 HD3 ARG 669 -4.892 -2.744 -4.693 927 HE ARG 669 HE ARG 669 -4.261 -1.090 -2.359 928 1HH1 ARG 669 HH21 ARG 669 -6.665 -1.402 -4.915 929 2HH1 ARG 669 HH22 ARG 669 -7.942 -1.000 -3.769 930 1HH2 ARG 669 HH11 ARG 669 -5.819 -0.570 -1.141 931 2HH2 ARG 669 HH12 ARG 669 -7.503 -0.525 -1.723 932 H SER 670 H SER 670 -3.621 -7.574 -3.899 933 HA SER 670 HA SER 670 -1.598 -8.787 -5.454 934 1HB SER 670 HB2 SER 670 -2.654 -10.902 -4.620 935 2HB SER 670 HB3 SER 670 -2.293 -9.717 -3.359 936 HG SER 670 HG SER 670 -4.437 -10.687 -3.242 937 H ARG 671 H ARG 671 -4.840 -8.042 -6.393 938 HA ARG 671 HA ARG 671 -5.287 -9.954 -8.469 939 1HB ARG 671 HB2 ARG 671 -7.035 -8.603 -7.542 940 2HB ARG 671 HB3 ARG 671 -6.246 -7.105 -8.000 941 1HG ARG 671 HG2 ARG 671 -7.030 -9.053 -10.179 942 2HG ARG 671 HG3 ARG 671 -8.287 -8.123 -9.365 943 1HD ARG 671 HD2 ARG 671 -7.200 -6.013 -9.915 944 2HD ARG 671 HD3 ARG 671 -5.867 -6.864 -10.716 945 HE ARG 671 HE ARG 671 -8.114 -7.806 -12.014 946 1HH1 ARG 671 HH12 ARG 671 -6.760 -4.606 -11.560 947 2HH1 ARG 671 HH11 ARG 671 -7.408 -4.018 -13.066 948 1HH2 ARG 671 HH21 ARG 671 -8.903 -6.991 -13.927 949 2HH2 ARG 671 HH22 ARG 671 -8.583 -5.341 -14.369 950 H LEU 672 H LEU 672 -3.213 -7.108 -8.454 951 HA LEU 672 HA LEU 672 -2.822 -6.998 -11.351 952 1HB LEU 672 HB2 LEU 672 -1.395 -5.726 -8.976 953 2HB LEU 672 HB3 LEU 672 -0.794 -5.582 -10.608 954 HG LEU 672 HG LEU 672 -1.925 -3.586 -10.011 955 1HD1 LEU 672 HD11 LEU 672 -3.426 -3.317 -11.875 956 2HD1 LEU 672 HD12 LEU 672 -2.099 -4.379 -12.368 957 3HD1 LEU 672 HD13 LEU 672 -3.694 -5.066 -11.995 958 1HD2 LEU 672 HD21 LEU 672 -3.514 -4.490 -8.344 959 2HD2 LEU 672 HD22 LEU 672 -4.271 -3.394 -9.514 960 3HD2 LEU 672 HD23 LEU 672 -4.505 -5.148 -9.672 961 1H SER 839 H1 SER 839 1.051 -9.164 23.700 962 2H SER 839 H2 SER 839 1.784 -8.076 22.724 963 3H SER 839 H3 SER 839 2.477 -8.488 24.150 964 HA SER 839 HA SER 839 3.633 -9.532 22.332 965 1HB SER 839 HB2 SER 839 3.423 -10.643 24.583 966 2HB SER 839 HB3 SER 839 2.075 -11.597 23.937 967 HG SER 839 HG SER 839 4.153 -12.641 23.815 968 H ASP 840 H ASP 840 2.802 -12.183 21.456 969 HA ASP 840 HA ASP 840 1.910 -11.747 18.884 970 1HB ASP 840 HB2 ASP 840 3.026 -13.753 19.681 971 2HB ASP 840 HB3 ASP 840 1.631 -14.193 20.663 972 H ALA 841 H ALA 841 -0.230 -12.188 21.674 973 HA ALA 841 HA ALA 841 -2.685 -12.600 20.277 974 1HB ALA 841 HB1 ALA 841 -2.284 -13.133 22.661 975 2HB ALA 841 HB2 ALA 841 -2.138 -11.397 23.026 976 3HB ALA 841 HB3 ALA 841 -3.684 -12.066 22.464 977 H GLY 842 H GLY 842 -0.814 -9.811 20.183 978 1HA GLY 842 HA2 GLY 842 -2.598 -7.667 20.590 979 2HA GLY 842 HA3 GLY 842 -1.058 -7.606 19.742 980 H ASN 843 H ASN 843 -4.220 -9.074 19.003 981 HA ASN 843 HA ASN 843 -4.383 -8.278 16.245 982 1HB ASN 843 HB2 ASN 843 -6.621 -9.146 16.371 983 2HB ASN 843 HB3 ASN 843 -5.599 -10.202 17.332 984 1HD2 ASN 843 HD22 ASN 843 -5.788 -10.019 19.773 985 2HD2 ASN 843 HD21 ASN 843 -7.290 -9.365 20.401 986 H ILE 844 H ILE 844 -5.933 -6.771 15.310 987 HA ILE 844 HA ILE 844 -6.537 -4.349 16.969 988 HB ILE 844 HB ILE 844 -4.855 -4.572 14.472 989 1HG1 ILE 844 HG12 ILE 844 -3.668 -4.606 16.633 990 2HG1 ILE 844 HG13 ILE 844 -3.249 -3.225 15.650 991 1HG2 ILE 844 HG21 ILE 844 -6.243 -2.025 15.370 992 2HG2 ILE 844 HG22 ILE 844 -4.832 -2.081 14.292 993 3HG2 ILE 844 HG23 ILE 844 -6.353 -2.833 13.797 994 1HD1 ILE 844 HD11 ILE 844 -3.435 -2.540 17.972 995 2HD1 ILE 844 HD12 ILE 844 -4.737 -1.768 17.064 996 3HD1 ILE 844 HD13 ILE 844 -5.078 -3.176 18.095 997 H LEU 845 H LEU 845 -7.360 -6.119 13.973 998 HA LEU 845 HA LEU 845 -9.720 -4.334 13.566 999 1HB LEU 845 HB2 LEU 845 -7.968 -4.170 11.911 1000 2HB LEU 845 HB3 LEU 845 -7.963 -5.913 11.692 1001 HG LEU 845 HG LEU 845 -10.295 -5.751 10.752 1002 1HD1 LEU 845 HD11 LEU 845 -10.980 -3.581 9.746 1003 2HD1 LEU 845 HD12 LEU 845 -11.066 -3.568 11.531 1004 3HD1 LEU 845 HD13 LEU 845 -9.718 -2.766 10.695 1005 1HD2 LEU 845 HD21 LEU 845 -9.498 -4.934 8.563 1006 2HD2 LEU 845 HD22 LEU 845 -8.106 -4.162 9.354 1007 3HD2 LEU 845 HD23 LEU 845 -8.266 -5.928 9.353 1008 HA PRO 846 HA PRO 846 -12.066 -8.126 14.868 1009 1HB PRO 846 HB2 PRO 846 -14.084 -5.927 14.283 1010 2HB PRO 846 HB3 PRO 846 -14.182 -7.212 15.541 1011 1HG PRO 846 HG2 PRO 846 -13.394 -4.767 16.237 1012 2HG PRO 846 HG3 PRO 846 -12.365 -6.151 16.761 1013 1HD PRO 846 HD2 PRO 846 -12.041 -4.376 14.319 1014 2HD PRO 846 HD3 PRO 846 -10.825 -4.801 15.570 1015 H SER 847 H SER 847 -13.333 -9.628 13.704 1016 HA SER 847 HA SER 847 -12.915 -9.741 10.924 1017 1HB SER 847 HB2 SER 847 -14.389 -11.733 10.993 1018 2HB SER 847 HB3 SER 847 -13.125 -11.731 12.233 1019 HG SER 847 HG SER 847 -15.214 -12.338 13.046 1020 H ASP 848 H ASP 848 -15.946 -8.791 12.615 1021 HA ASP 848 HA ASP 848 -17.541 -8.632 10.237 1022 1HB ASP 848 HB2 ASP 848 -18.485 -8.738 12.512 1023 2HB ASP 848 HB3 ASP 848 -17.833 -7.134 12.873 1024 H ILE 849 H ILE 849 -15.516 -6.193 11.863 1025 HA ILE 849 HA ILE 849 -16.222 -4.028 10.029 1026 HB ILE 849 HB ILE 849 -14.028 -4.323 12.126 1027 1HG1 ILE 849 HG12 ILE 849 -15.210 -2.558 13.302 1028 2HG1 ILE 849 HG13 ILE 849 -16.402 -2.395 12.016 1029 1HG2 ILE 849 HG21 ILE 849 -13.164 -2.852 10.341 1030 2HG2 ILE 849 HG22 ILE 849 -14.671 -1.922 10.357 1031 3HG2 ILE 849 HG23 ILE 849 -13.579 -1.899 11.757 1032 1HD1 ILE 849 HD11 ILE 849 -16.111 -4.863 13.777 1033 2HD1 ILE 849 HD12 ILE 849 -17.223 -3.516 14.085 1034 3HD1 ILE 849 HD13 ILE 849 -17.432 -4.497 12.634 1035 H MET 850 H MET 850 -13.499 -6.351 10.341 1036 HA MET 850 HA MET 850 -11.897 -5.544 8.200 1037 1HB MET 850 HB2 MET 850 -11.344 -7.376 9.808 1038 2HB MET 850 HB3 MET 850 -12.532 -8.407 9.029 1039 1HG MET 850 HG2 MET 850 -11.288 -8.265 6.908 1040 2HG MET 850 HG3 MET 850 -10.060 -7.260 7.656 1041 1HE MET 850 HE1 MET 850 -9.653 -8.718 10.545 1042 2HE MET 850 HE2 MET 850 -8.359 -9.856 10.133 1043 3HE MET 850 HE3 MET 850 -8.310 -8.203 9.495 1044 H ASP 851 H ASP 851 -14.609 -7.950 7.997 1045 HA ASP 851 HA ASP 851 -14.469 -8.442 5.259 1046 1HB ASP 851 HB2 ASP 851 -15.828 -9.716 6.844 1047 2HB ASP 851 HB3 ASP 851 -16.917 -8.343 7.063 1048 H PHE 852 H PHE 852 -16.269 -5.756 6.818 1049 HA PHE 852 HA PHE 852 -17.429 -4.715 4.403 1050 1HB PHE 852 HB2 PHE 852 -18.281 -4.169 6.619 1051 2HB PHE 852 HB3 PHE 852 -16.750 -3.442 7.078 1052 HD1 PHE 852 HD1 PHE 852 -16.753 -1.120 7.165 1053 HD2 PHE 852 HD2 PHE 852 -19.227 -3.092 4.233 1054 HE1 PHE 852 HE1 PHE 852 -17.600 1.075 6.398 1055 HE2 PHE 852 HE2 PHE 852 -20.100 -0.885 3.491 1056 HZ PHE 852 HZ PHE 852 -19.303 1.200 4.583 1057 H VAL 853 H VAL 853 -14.318 -3.950 6.060 1058 HA VAL 853 HA VAL 853 -13.514 -1.980 4.079 1059 HB VAL 853 HB VAL 853 -11.721 -3.553 6.029 1060 1HG1 VAL 853 HG11 VAL 853 -10.521 -2.371 4.113 1061 2HG1 VAL 853 HG12 VAL 853 -11.305 -0.866 4.606 1062 3HG1 VAL 853 HG13 VAL 853 -10.170 -1.679 5.706 1063 1HG2 VAL 853 HG21 VAL 853 -13.388 -2.289 7.277 1064 2HG2 VAL 853 HG22 VAL 853 -11.818 -1.497 7.378 1065 3HG2 VAL 853 HG23 VAL 853 -13.082 -0.857 6.290 1066 H LEU 854 H LEU 854 -12.906 -5.525 4.365 1067 HA LEU 854 HA LEU 854 -11.125 -5.725 2.174 1068 1HB LEU 854 HB2 LEU 854 -13.159 -7.819 3.050 1069 2HB LEU 854 HB3 LEU 854 -11.798 -8.086 1.975 1070 HG LEU 854 HG LEU 854 -11.733 -7.590 4.939 1071 1HD1 LEU 854 HD11 LEU 854 -12.234 -9.863 4.191 1072 2HD1 LEU 854 HD12 LEU 854 -10.744 -9.877 3.220 1073 3HD1 LEU 854 HD13 LEU 854 -10.658 -9.778 4.992 1074 1HD2 LEU 854 HD21 LEU 854 -9.299 -7.801 3.150 1075 2HD2 LEU 854 HD22 LEU 854 -9.852 -6.332 3.987 1076 3HD2 LEU 854 HD23 LEU 854 -9.337 -7.724 4.940 1077 H LYS 855 H LYS 855 -14.703 -5.980 2.147 1078 HA LYS 855 HA LYS 855 -14.923 -6.640 -0.658 1079 1HB LYS 855 HB2 LYS 855 -16.758 -5.876 1.571 1080 2HB LYS 855 HB3 LYS 855 -17.337 -5.517 -0.044 1081 1HG LYS 855 HG2 LYS 855 -18.059 -7.715 0.723 1082 2HG LYS 855 HG3 LYS 855 -17.131 -7.795 -0.767 1083 1HD LYS 855 HD2 LYS 855 -15.176 -8.642 0.409 1084 2HD LYS 855 HD3 LYS 855 -15.950 -8.422 1.982 1085 1HE LYS 855 HE2 LYS 855 -17.116 -10.210 -0.194 1086 2HE LYS 855 HE3 LYS 855 -15.900 -10.790 0.950 1087 1HZ LYS 855 HZ1 LYS 855 -17.366 -10.252 2.774 1088 2HZ LYS 855 HZ2 LYS 855 -18.525 -9.676 1.768 1089 3HZ LYS 855 HZ3 LYS 855 -18.136 -11.266 1.748 1090 H ASN 856 H ASN 856 -14.927 -3.511 0.986 1091 HA ASN 856 HA ASN 856 -15.722 -2.024 -1.398 1092 1HB ASN 856 HB2 ASN 856 -14.885 -1.341 1.439 1093 2HB ASN 856 HB3 ASN 856 -15.038 -0.112 0.201 1094 1HD2 ASN 856 HD22 ASN 856 -16.816 -2.116 2.377 1095 2HD2 ASN 856 HD21 ASN 856 -18.402 -1.548 1.865 1096 H THR 857 H THR 857 -12.585 -2.522 0.240 1097 HA THR 857 HA THR 857 -11.323 -0.385 -1.223 1098 HB THR 857 HB THR 857 -9.291 -1.014 0.040 1099 HG1 THR 857 HG1 THR 857 -10.923 -2.855 1.401 1100 1HG2 THR 857 HG21 THR 857 -10.894 0.570 0.976 1101 2HG2 THR 857 HG22 THR 857 -11.848 -0.737 1.684 1102 3HG2 THR 857 HG23 THR 857 -10.188 -0.442 2.249 1103 HA PRO 858 HA PRO 858 -8.723 -3.807 -3.315 1104 1HB PRO 858 HB2 PRO 858 -9.980 -5.545 -4.990 1105 2HB PRO 858 HB3 PRO 858 -9.823 -5.833 -3.236 1106 1HG PRO 858 HG2 PRO 858 -12.188 -4.659 -4.726 1107 2HG PRO 858 HG3 PRO 858 -12.197 -5.963 -3.496 1108 1HD PRO 858 HD2 PRO 858 -12.743 -3.364 -2.913 1109 2HD PRO 858 HD3 PRO 858 -11.899 -4.416 -1.742 1110 H SER 859 H SER 859 -7.811 -3.915 -5.467 1111 HA SER 859 HA SER 859 -8.280 -1.598 -7.112 1112 1HB SER 859 HB2 SER 859 -6.717 -2.750 -8.690 1113 2HB SER 859 HB3 SER 859 -6.097 -2.605 -7.037 1114 HG SER 859 HG SER 859 -5.771 -4.703 -7.830 1115 H MET 860 H MET 860 -9.538 -4.870 -7.232 1116 HA MET 860 HA MET 860 -11.673 -3.966 -9.034 1117 1HB MET 860 HB2 MET 860 -9.999 -4.915 -10.584 1118 2HB MET 860 HB3 MET 860 -9.935 -6.402 -9.640 1119 1HG MET 860 HG2 MET 860 -11.302 -6.592 -11.704 1120 2HG MET 860 HG3 MET 860 -12.178 -6.994 -10.236 1121 1HE MET 860 HE1 MET 860 -11.408 -3.299 -11.636 1122 2HE MET 860 HE2 MET 860 -11.626 -4.325 -13.075 1123 3HE MET 860 HE3 MET 860 -12.832 -3.084 -12.672 1124 H GLN 861 H GLN 861 -13.587 -4.735 -8.331 1125 HA GLN 861 HA GLN 861 -13.683 -6.395 -5.930 1126 1HB GLN 861 HB2 GLN 861 -15.012 -4.258 -6.403 1127 2HB GLN 861 HB3 GLN 861 -16.061 -5.263 -7.415 1128 1HG GLN 861 HG2 GLN 861 -16.380 -6.782 -5.400 1129 2HG GLN 861 HG3 GLN 861 -15.376 -5.688 -4.461 1130 1HE2 GLN 861 HE22 GLN 861 -16.537 -4.266 -3.214 1131 2HE2 GLN 861 HE21 GLN 861 -18.130 -3.634 -3.650 1132 H ALA 862 H ALA 862 -12.617 -8.119 -7.365 1133 HA ALA 862 HA ALA 862 -14.082 -9.690 -9.209 1134 1HB ALA 862 HB1 ALA 862 -11.753 -10.419 -7.382 1135 2HB ALA 862 HB2 ALA 862 -12.252 -11.312 -8.834 1136 3HB ALA 862 HB3 ALA 862 -11.631 -9.659 -8.987 1137 H LEU 863 H LEU 863 -14.682 -9.487 -5.872 1138 HA LEU 863 HA LEU 863 -16.510 -11.804 -5.980 1139 1HB LEU 863 HB2 LEU 863 -14.382 -12.562 -4.947 1140 2HB LEU 863 HB3 LEU 863 -14.497 -11.303 -3.737 1141 HG LEU 863 HG LEU 863 -15.074 -13.616 -3.006 1142 1HD1 LEU 863 HD11 LEU 863 -16.894 -13.068 -1.575 1143 2HD1 LEU 863 HD12 LEU 863 -15.892 -11.618 -1.765 1144 3HD1 LEU 863 HD13 LEU 863 -17.443 -11.757 -2.629 1145 1HD2 LEU 863 HD21 LEU 863 -16.305 -14.338 -5.038 1146 2HD2 LEU 863 HD22 LEU 863 -17.198 -14.630 -3.535 1147 3HD2 LEU 863 HD23 LEU 863 -17.652 -13.273 -4.581 1148 H GLY 864 H GLY 864 -18.444 -10.977 -5.626 1149 1HA GLY 864 HA2 GLY 864 -19.485 -9.715 -3.445 1150 2HA GLY 864 HA3 GLY 864 -18.841 -8.345 -4.357 1151 H GLU 865 H GLU 865 -20.139 -11.085 -6.136 1152 HA GLU 865 HA GLU 865 -21.857 -9.501 -7.696 1153 1HB GLU 865 HB2 GLU 865 -22.050 -12.516 -7.314 1154 2HB GLU 865 HB3 GLU 865 -22.620 -11.554 -8.675 1155 1HG GLU 865 HG2 GLU 865 -20.715 -12.285 -9.624 1156 2HG GLU 865 HG3 GLU 865 -20.045 -10.854 -8.854 1157 H SER 866 H SER 866 -24.140 -9.662 -8.077 1158 HA SER 866 HA SER 866 -25.910 -10.633 -5.947 1159 1HB SER 866 HB2 SER 866 -25.237 -8.393 -5.158 1160 2HB SER 866 HB3 SER 866 -25.879 -7.672 -6.639 1161 HG SER 866 HG SER 866 -27.375 -7.620 -4.880 1162 HA PRO 867 HA PRO 867 -28.550 -9.420 -9.867 1163 1HB PRO 867 HB2 PRO 867 -26.380 -9.584 -11.952 1164 2HB PRO 867 HB3 PRO 867 -27.866 -8.588 -11.945 1165 1HG PRO 867 HG2 PRO 867 -25.471 -7.470 -11.362 1166 2HG PRO 867 HG3 PRO 867 -26.917 -7.050 -10.385 1167 1HD PRO 867 HD2 PRO 867 -24.724 -9.032 -9.743 1168 2HD PRO 867 HD3 PRO 867 -25.451 -7.776 -8.698 1169 H GLU 868 H GLU 868 -25.789 -11.617 -9.934 1170 HA GLU 868 HA GLU 868 -27.488 -13.965 -10.376 1171 1HB GLU 868 HB2 GLU 868 -26.838 -13.151 -12.672 1172 2HB GLU 868 HB3 GLU 868 -25.140 -13.335 -12.228 1173 1HG GLU 868 HG2 GLU 868 -25.437 -15.760 -11.989 1174 2HG GLU 868 HG3 GLU 868 -27.182 -15.600 -12.213 1175 H SER 869 H SER 869 -26.367 -15.933 -9.724 1176 HA SER 869 HA SER 869 -23.657 -15.833 -8.583 1177 1HB SER 869 HB2 SER 869 -26.118 -16.290 -6.843 1178 2HB SER 869 HB3 SER 869 -24.472 -16.760 -6.376 1179 HG SER 869 HG SER 869 -24.759 -14.173 -7.349 Start of MODEL 13 1 1H LYS 291 H1 LYS 291 10.013 1.056 -1.579 2 2H LYS 291 H2 LYS 291 9.121 -0.009 -0.721 3 3H LYS 291 H3 LYS 291 8.578 0.521 -2.180 4 HA LYS 291 HA LYS 291 8.261 2.747 -1.357 5 1HB LYS 291 HB2 LYS 291 7.095 0.856 0.697 6 2HB LYS 291 HB3 LYS 291 6.539 2.478 0.290 7 1HG LYS 291 HG2 LYS 291 6.003 1.706 -2.034 8 2HG LYS 291 HG3 LYS 291 6.384 0.044 -1.536 9 1HD LYS 291 HD2 LYS 291 4.649 0.212 0.256 10 2HD LYS 291 HD3 LYS 291 4.208 1.819 -0.331 11 1HE LYS 291 HE2 LYS 291 4.068 -0.771 -1.948 12 2HE LYS 291 HE3 LYS 291 2.700 -0.023 -1.121 13 1HZ LYS 291 HZ1 LYS 291 2.713 0.598 -3.446 14 2HZ LYS 291 HZ2 LYS 291 2.994 1.938 -2.563 15 3HZ LYS 291 HZ3 LYS 291 4.220 1.206 -3.363 16 H GLU 292 H GLU 292 9.376 4.291 -0.278 17 HA GLU 292 HA GLU 292 10.409 3.594 2.437 18 1HB GLU 292 HB2 GLU 292 12.046 5.144 0.378 19 2HB GLU 292 HB3 GLU 292 12.502 4.731 2.021 20 1HG GLU 292 HG2 GLU 292 13.694 3.175 0.854 21 2HG GLU 292 HG3 GLU 292 12.263 2.240 1.251 22 H LYS 293 H LYS 293 10.252 6.529 0.272 23 HA LYS 293 HA LYS 293 9.848 8.295 2.504 24 1HB LYS 293 HB2 LYS 293 9.408 10.027 0.885 25 2HB LYS 293 HB3 LYS 293 10.797 9.063 0.399 26 1HG LYS 293 HG2 LYS 293 9.395 7.910 -1.296 27 2HG LYS 293 HG3 LYS 293 7.983 8.853 -0.768 28 1HD LYS 293 HD2 LYS 293 9.148 10.959 -1.358 29 2HD LYS 293 HD3 LYS 293 10.556 10.020 -1.908 30 1HE LYS 293 HE2 LYS 293 9.114 8.843 -3.536 31 2HE LYS 293 HE3 LYS 293 7.721 9.801 -3.022 32 1HZ LYS 293 HZ1 LYS 293 10.186 10.923 -4.253 33 2HZ LYS 293 HZ2 LYS 293 8.751 10.750 -5.010 34 3HZ LYS 293 HZ3 LYS 293 8.895 11.802 -3.771 35 H ARG 294 H ARG 294 7.445 6.796 0.375 36 HA ARG 294 HA ARG 294 5.172 8.139 1.438 37 1HB ARG 294 HB2 ARG 294 5.273 6.885 -0.686 38 2HB ARG 294 HB3 ARG 294 5.317 5.355 0.184 39 1HG ARG 294 HG2 ARG 294 3.043 7.312 0.687 40 2HG ARG 294 HG3 ARG 294 3.083 6.390 -0.811 41 1HD ARG 294 HD2 ARG 294 3.201 4.273 0.489 42 2HD ARG 294 HD3 ARG 294 2.984 5.189 1.989 43 HE ARG 294 HE ARG 294 0.868 6.073 0.571 44 1HH1 ARG 294 HH11 ARG 294 1.867 2.754 1.170 45 2HH1 ARG 294 HH12 ARG 294 0.280 2.125 0.762 46 1HH2 ARG 294 HH21 ARG 294 -1.112 5.167 0.084 47 2HH2 ARG 294 HH22 ARG 294 -1.282 3.422 0.098 48 H ILE 295 H ILE 295 6.904 5.335 2.658 49 HA ILE 295 HA ILE 295 4.983 4.352 4.555 50 HB ILE 295 HB ILE 295 8.022 4.270 4.517 51 1HG1 ILE 295 HG12 ILE 295 7.034 3.219 2.565 52 2HG1 ILE 295 HG13 ILE 295 7.816 2.047 3.596 53 1HG2 ILE 295 HG21 ILE 295 7.737 2.251 6.028 54 2HG2 ILE 295 HG22 ILE 295 7.521 3.845 6.757 55 3HG2 ILE 295 HG23 ILE 295 6.103 2.878 6.357 56 1HD1 ILE 295 HD11 ILE 295 5.757 1.074 4.237 57 2HD1 ILE 295 HD12 ILE 295 4.787 2.455 3.665 58 3HD1 ILE 295 HD13 ILE 295 5.609 1.393 2.505 59 H LYS 296 H LYS 296 7.661 6.724 4.964 60 HA LYS 296 HA LYS 296 6.819 7.387 7.689 61 1HB LYS 296 HB2 LYS 296 9.186 7.591 6.458 62 2HB LYS 296 HB3 LYS 296 8.584 9.178 6.004 63 1HG LYS 296 HG2 LYS 296 9.068 8.048 8.778 64 2HG LYS 296 HG3 LYS 296 9.945 9.351 7.983 65 1HD LYS 296 HD2 LYS 296 7.871 10.770 8.123 66 2HD LYS 296 HD3 LYS 296 7.097 9.476 9.062 67 1HE LYS 296 HE2 LYS 296 9.650 10.892 9.894 68 2HE LYS 296 HE3 LYS 296 8.028 11.318 10.447 69 1HZ LYS 296 HZ1 LYS 296 9.023 9.854 12.051 70 2HZ LYS 296 HZ2 LYS 296 7.817 9.013 11.323 71 3HZ LYS 296 HZ3 LYS 296 9.375 8.720 10.931 72 H GLU 297 H GLU 297 6.380 8.894 4.458 73 HA GLU 297 HA GLU 297 5.008 11.235 5.140 74 1HB GLU 297 HB2 GLU 297 5.720 10.465 2.839 75 2HB GLU 297 HB3 GLU 297 4.374 9.343 2.860 76 1HG GLU 297 HG2 GLU 297 2.785 11.261 3.050 77 2HG GLU 297 HG3 GLU 297 4.175 12.352 3.004 78 H LEU 298 H LEU 298 3.481 8.019 4.581 79 HA LEU 298 HA LEU 298 0.811 8.773 5.156 80 1HB LEU 298 HB2 LEU 298 1.636 6.718 3.945 81 2HB LEU 298 HB3 LEU 298 2.257 6.096 5.465 82 HG LEU 298 HG LEU 298 -0.292 6.422 6.249 83 1HD1 LEU 298 HD11 LEU 298 -1.890 5.992 4.475 84 2HD1 LEU 298 HD12 LEU 298 -1.017 7.490 4.119 85 3HD1 LEU 298 HD13 LEU 298 -0.595 5.997 3.253 86 1HD2 LEU 298 HD21 LEU 298 0.962 4.330 6.179 87 2HD2 LEU 298 HD22 LEU 298 -0.720 4.128 5.672 88 3HD2 LEU 298 HD23 LEU 298 0.583 4.145 4.448 89 H GLU 299 H GLU 299 3.360 7.585 7.370 90 HA GLU 299 HA GLU 299 1.719 7.519 9.769 91 1HB GLU 299 HB2 GLU 299 3.942 6.346 9.445 92 2HB GLU 299 HB3 GLU 299 4.720 7.922 9.337 93 1HG GLU 299 HG2 GLU 299 3.851 8.411 11.694 94 2HG GLU 299 HG3 GLU 299 3.401 6.702 11.770 95 H LEU 300 H LEU 300 3.911 9.973 8.363 96 HA LEU 300 HA LEU 300 3.612 11.992 10.300 97 1HB LEU 300 HB2 LEU 300 5.423 11.650 8.657 98 2HB LEU 300 HB3 LEU 300 4.374 12.141 7.351 99 HG LEU 300 HG LEU 300 6.134 13.732 8.100 100 1HD1 LEU 300 HD11 LEU 300 4.903 15.730 7.784 101 2HD1 LEU 300 HD12 LEU 300 4.169 14.473 6.776 102 3HD1 LEU 300 HD13 LEU 300 3.385 14.987 8.287 103 1HD2 LEU 300 HD21 LEU 300 4.358 14.220 10.503 104 2HD2 LEU 300 HD22 LEU 300 5.937 13.410 10.532 105 3HD2 LEU 300 HD23 LEU 300 5.821 15.117 10.064 106 H LEU 301 H LEU 301 1.519 11.294 7.520 107 HA LEU 301 HA LEU 301 0.051 13.612 7.188 108 1HB LEU 301 HB2 LEU 301 -0.848 10.710 7.277 109 2HB LEU 301 HB3 LEU 301 -1.961 11.983 6.885 110 HG LEU 301 HG LEU 301 0.483 11.267 5.240 111 1HD1 LEU 301 HD11 LEU 301 -1.151 10.467 3.628 112 2HD1 LEU 301 HD12 LEU 301 -1.416 9.655 5.181 113 3HD1 LEU 301 HD13 LEU 301 -2.493 10.973 4.680 114 1HD2 LEU 301 HD21 LEU 301 -0.491 12.814 3.554 115 2HD2 LEU 301 HD22 LEU 301 -1.667 13.369 4.768 116 3HD2 LEU 301 HD23 LEU 301 0.075 13.660 4.993 117 H LEU 302 H LEU 302 -0.315 11.418 9.962 118 HA LEU 302 HA LEU 302 -2.638 12.796 11.059 119 1HB LEU 302 HB2 LEU 302 -0.682 10.716 12.050 120 2HB LEU 302 HB3 LEU 302 -1.737 11.548 13.200 121 HG LEU 302 HG LEU 302 -2.598 9.772 10.909 122 1HD1 LEU 302 HD11 LEU 302 -1.638 8.760 12.964 123 2HD1 LEU 302 HD12 LEU 302 -2.847 9.584 13.947 124 3HD1 LEU 302 HD13 LEU 302 -3.354 8.339 12.784 125 1HD2 LEU 302 HD21 LEU 302 -4.883 9.897 11.844 126 2HD2 LEU 302 HD22 LEU 302 -4.370 11.153 12.971 127 3HD2 LEU 302 HD23 LEU 302 -4.383 11.473 11.217 128 H MET 303 H MET 303 0.840 13.497 11.268 129 HA MET 303 HA MET 303 0.655 14.718 13.880 130 1HB MET 303 HB2 MET 303 2.756 13.770 12.853 131 2HB MET 303 HB3 MET 303 2.794 15.161 11.774 132 1HG MET 303 HG2 MET 303 2.874 16.671 13.761 133 2HG MET 303 HG3 MET 303 2.894 15.258 14.815 134 1HE MET 303 HE1 MET 303 6.432 13.760 14.284 135 2HE MET 303 HE2 MET 303 4.869 13.654 15.125 136 3HE MET 303 HE3 MET 303 4.987 13.239 13.397 137 H SER 304 H SER 304 0.764 15.958 10.543 138 HA SER 304 HA SER 304 0.735 18.723 10.924 139 1HB SER 304 HB2 SER 304 -0.742 17.158 8.768 140 2HB SER 304 HB3 SER 304 -0.224 18.856 8.685 141 HG SER 304 HG SER 304 1.266 17.452 7.642 142 H THR 305 H THR 305 -1.855 16.509 11.643 143 HA THR 305 HA THR 305 -4.152 18.153 11.616 144 HB THR 305 HB THR 305 -3.303 16.058 13.701 145 HG1 THR 305 HG1 THR 305 -3.595 14.756 12.226 146 1HG2 THR 305 HG21 THR 305 -5.985 17.306 12.913 147 2HG2 THR 305 HG22 THR 305 -5.856 15.765 13.794 148 3HG2 THR 305 HG23 THR 305 -5.241 17.270 14.511 149 H GLU 306 H GLU 306 -1.578 17.949 14.179 150 HA GLU 306 HA GLU 306 -2.960 19.856 15.883 151 1HB GLU 306 HB2 GLU 306 -0.056 18.931 15.795 152 2HB GLU 306 HB3 GLU 306 -0.680 20.109 16.952 153 1HG GLU 306 HG2 GLU 306 -2.430 18.392 17.630 154 2HG GLU 306 HG3 GLU 306 -1.527 17.203 16.682 155 H ASN 307 H ASN 307 -0.382 20.192 13.414 156 HA ASN 307 HA ASN 307 0.135 22.953 13.746 157 1HB ASN 307 HB2 ASN 307 0.276 21.289 11.183 158 2HB ASN 307 HB3 ASN 307 1.019 22.851 11.448 159 1HD2 ASN 307 HD22 ASN 307 3.172 22.278 11.194 160 2HD2 ASN 307 HD21 ASN 307 3.954 21.064 12.214 161 H GLU 308 H GLU 308 -2.243 21.322 11.627 162 HA GLU 308 HA GLU 308 -3.397 23.670 10.453 163 1HB GLU 308 HB2 GLU 308 -4.388 20.818 10.907 164 2HB GLU 308 HB3 GLU 308 -5.378 22.037 10.106 165 1HG GLU 308 HG2 GLU 308 -2.615 21.173 9.151 166 2HG GLU 308 HG3 GLU 308 -4.140 20.552 8.535 167 H LEU 309 H LEU 309 -4.368 21.820 13.380 168 HA LEU 309 HA LEU 309 -6.704 23.471 13.871 169 1HB LEU 309 HB2 LEU 309 -5.257 21.212 15.241 170 2HB LEU 309 HB3 LEU 309 -6.352 22.185 16.199 171 HG LEU 309 HG LEU 309 -8.239 21.687 14.871 172 1HD1 LEU 309 HD11 LEU 309 -6.502 20.062 12.971 173 2HD1 LEU 309 HD12 LEU 309 -8.273 20.138 12.980 174 3HD1 LEU 309 HD13 LEU 309 -7.340 21.580 12.576 175 1HD2 LEU 309 HD21 LEU 309 -8.337 19.240 15.185 176 2HD2 LEU 309 HD22 LEU 309 -6.565 19.190 15.341 177 3HD2 LEU 309 HD23 LEU 309 -7.546 20.046 16.553 178 H LYS 310 H LYS 310 -3.377 23.604 15.093 179 HA LYS 310 HA LYS 310 -4.152 25.651 17.116 180 1HB LYS 310 HB2 LYS 310 -1.619 23.995 16.824 181 2HB LYS 310 HB3 LYS 310 -1.975 25.114 18.139 182 1HG LYS 310 HG2 LYS 310 -3.928 23.796 18.819 183 2HG LYS 310 HG3 LYS 310 -3.666 22.651 17.493 184 1HD LYS 310 HD2 LYS 310 -1.504 21.983 18.426 185 2HD LYS 310 HD3 LYS 310 -1.669 23.180 19.730 186 1HE LYS 310 HE2 LYS 310 -3.707 22.050 20.539 187 2HE LYS 310 HE3 LYS 310 -3.604 20.869 19.227 188 1HZ LYS 310 HZ1 LYS 310 -1.563 20.022 20.159 189 2HZ LYS 310 HZ2 LYS 310 -1.493 21.218 21.284 190 3HZ LYS 310 HZ3 LYS 310 -2.665 20.084 21.378 191 H GLY 311 H GLY 311 -2.909 25.765 14.005 192 1HA GLY 311 HA2 GLY 311 -2.131 27.532 12.760 193 2HA GLY 311 HA3 GLY 311 -2.567 28.592 14.105 194 H GLN 312 H GLN 312 -0.149 25.979 14.034 195 HA GLN 312 HA GLN 312 2.148 27.847 14.202 196 1HB GLN 312 HB2 GLN 312 1.410 25.767 16.310 197 2HB GLN 312 HB3 GLN 312 3.020 26.459 16.170 198 1HG GLN 312 HG2 GLN 312 0.502 28.075 16.750 199 2HG GLN 312 HG3 GLN 312 1.655 27.512 17.945 200 1HE2 GLN 312 HE22 GLN 312 1.008 30.018 15.617 201 2HE2 GLN 312 HE21 GLN 312 2.484 30.928 15.945 202 H GLN 313 H GLN 313 4.242 26.569 14.155 203 HA GLN 313 HA GLN 313 4.054 24.035 12.601 204 1HB GLN 313 HB2 GLN 313 5.720 26.464 11.825 205 2HB GLN 313 HB3 GLN 313 5.755 24.904 11.017 206 1HG GLN 313 HG2 GLN 313 3.383 26.813 11.103 207 2HG GLN 313 HG3 GLN 313 4.471 26.566 9.751 208 1HE2 GLN 313 HE22 GLN 313 1.714 26.271 9.391 209 2HE2 GLN 313 HE21 GLN 313 1.385 24.570 9.098 210 H ALA 314 H ALA 314 6.220 22.995 12.339 211 HA ALA 314 HA ALA 314 7.449 22.529 14.869 212 1HB ALA 314 HB1 ALA 314 7.276 20.847 13.082 213 2HB ALA 314 HB2 ALA 314 8.353 21.813 12.045 214 3HB ALA 314 HB3 ALA 314 8.969 21.092 13.545 215 H LEU 315 H LEU 315 9.630 22.795 15.503 216 HA LEU 315 HA LEU 315 11.309 24.906 14.313 217 1HB LEU 315 HB2 LEU 315 9.672 26.102 15.761 218 2HB LEU 315 HB3 LEU 315 10.108 25.062 17.115 219 HG LEU 315 HG LEU 315 12.414 26.010 17.098 220 1HD1 LEU 315 HD11 LEU 315 11.279 27.873 14.961 221 2HD1 LEU 315 HD12 LEU 315 12.826 28.099 15.811 222 3HD1 LEU 315 HD13 LEU 315 12.605 26.708 14.745 223 1HD2 LEU 315 HD21 LEU 315 10.170 28.067 17.235 224 2HD2 LEU 315 HD22 LEU 315 10.645 26.951 18.535 225 3HD2 LEU 315 HD23 LEU 315 11.771 28.206 17.998 226 1H GLY 586 H1 GLY 586 6.399 9.904 41.458 227 2H GLY 586 H2 GLY 586 6.005 8.510 40.695 228 3H GLY 586 H3 GLY 586 7.477 8.670 41.390 229 1HA GLY 586 HA2 GLY 586 8.129 10.360 39.834 230 2HA GLY 586 HA3 GLY 586 7.646 8.881 38.985 231 H VAL 587 H VAL 587 6.748 9.615 37.113 232 HA VAL 587 HA VAL 587 4.425 11.494 37.233 233 HB VAL 587 HB VAL 587 6.706 11.670 35.217 234 1HG1 VAL 587 HG11 VAL 587 4.205 13.386 35.574 235 2HG1 VAL 587 HG12 VAL 587 5.549 13.744 34.470 236 3HG1 VAL 587 HG13 VAL 587 4.561 12.314 34.197 237 1HG2 VAL 587 HG21 VAL 587 5.944 13.561 37.486 238 2HG2 VAL 587 HG22 VAL 587 7.454 12.630 37.339 239 3HG2 VAL 587 HG23 VAL 587 7.114 13.926 36.198 240 H ARG 588 H ARG 588 2.782 10.943 35.971 241 HA ARG 588 HA ARG 588 2.976 8.840 33.857 242 1HB ARG 588 HB2 ARG 588 0.948 8.946 36.127 243 2HB ARG 588 HB3 ARG 588 0.804 7.894 34.723 244 1HG ARG 588 HG2 ARG 588 3.080 7.699 36.734 245 2HG ARG 588 HG3 ARG 588 1.586 6.779 36.783 246 1HD ARG 588 HD2 ARG 588 3.111 5.314 35.798 247 2HD ARG 588 HD3 ARG 588 2.122 5.903 34.453 248 HE ARG 588 HE ARG 588 4.467 7.544 34.789 249 1HH1 ARG 588 HH11 ARG 588 3.670 4.372 33.527 250 2HH1 ARG 588 HH12 ARG 588 5.041 4.373 32.451 251 1HH2 ARG 588 HH21 ARG 588 6.122 7.503 33.429 252 2HH2 ARG 588 HH22 ARG 588 6.421 6.122 32.403 253 H LYS 589 H LYS 589 -0.160 9.306 33.962 254 HA LYS 589 HA LYS 589 -0.451 10.981 31.714 255 1HB LYS 589 HB2 LYS 589 -2.374 10.411 34.014 256 2HB LYS 589 HB3 LYS 589 -2.840 11.266 32.553 257 1HG LYS 589 HG2 LYS 589 -1.865 8.382 32.666 258 2HG LYS 589 HG3 LYS 589 -3.534 8.934 32.504 259 1HD LYS 589 HD2 LYS 589 -2.735 10.176 30.368 260 2HD LYS 589 HD3 LYS 589 -1.291 9.173 30.461 261 1HE LYS 589 HE2 LYS 589 -4.151 8.080 30.417 262 2HE LYS 589 HE3 LYS 589 -3.175 8.320 28.969 263 1HZ LYS 589 HZ1 LYS 589 -3.079 6.040 29.879 264 2HZ LYS 589 HZ2 LYS 589 -1.605 6.752 29.722 265 3HZ LYS 589 HZ3 LYS 589 -2.303 6.585 31.211 266 H GLY 590 H GLY 590 -0.541 13.058 31.331 267 1HA GLY 590 HA2 GLY 590 -1.197 15.196 33.123 268 2HA GLY 590 HA3 GLY 590 0.557 14.971 33.088 269 H TRP 591 H TRP 591 -1.618 14.471 30.342 270 HA TRP 591 HA TRP 591 -0.351 16.764 28.889 271 1HB TRP 591 HB2 TRP 591 -0.058 15.305 26.969 272 2HB TRP 591 HB3 TRP 591 0.790 14.710 28.377 273 HD1 TRP 591 HD1 TRP 591 0.239 12.383 29.309 274 HE1 TRP 591 HE1 TRP 591 -0.983 10.340 28.337 275 HE3 TRP 591 HE3 TRP 591 -2.354 14.689 25.530 276 HZ2 TRP 591 HZ2 TRP 591 -2.710 9.755 26.134 277 HZ3 TRP 591 HZ3 TRP 591 -3.715 13.327 23.954 278 HH2 TRP 591 HH2 TRP 591 -3.878 10.873 24.234 279 H HIS 592 H HIS 592 -3.320 15.561 29.818 280 HA HIS 592 HA HIS 592 -4.805 15.697 27.378 281 1HB HIS 592 HB2 HIS 592 -5.730 15.907 30.265 282 2HB HIS 592 HB3 HIS 592 -6.762 15.607 28.875 283 HD1 HIS 592 HD1 HIS 592 -7.321 13.399 30.558 284 HD2 HIS 592 HD2 HIS 592 -3.649 13.477 28.490 285 HE1 HIS 592 HE1 HIS 592 -6.434 11.009 30.563 286 H GLU 593 H GLU 593 -3.778 18.242 29.561 287 HA GLU 593 HA GLU 593 -5.634 20.282 28.830 288 1HB GLU 593 HB2 GLU 593 -3.998 21.794 29.771 289 2HB GLU 593 HB3 GLU 593 -4.202 20.387 30.804 290 1HG GLU 593 HG2 GLU 593 -2.085 19.423 29.918 291 2HG GLU 593 HG3 GLU 593 -1.891 20.820 28.859 292 H HIS 594 H HIS 594 -3.125 18.844 26.930 293 HA HIS 594 HA HIS 594 -2.928 21.154 25.077 294 1HB HIS 594 HB2 HIS 594 -1.537 18.460 25.023 295 2HB HIS 594 HB3 HIS 594 -1.139 19.868 24.038 296 HD1 HIS 594 HD1 HIS 594 -0.317 22.118 25.704 297 HD2 HIS 594 HD2 HIS 594 -0.105 18.172 27.132 298 HE1 HIS 594 HE1 HIS 594 1.311 22.157 27.665 299 H VAL 595 H VAL 595 -5.304 19.104 25.458 300 HA VAL 595 HA VAL 595 -5.658 18.299 22.595 301 HB VAL 595 HB VAL 595 -6.733 16.950 25.104 302 1HG1 VAL 595 HG11 VAL 595 -6.799 16.016 22.205 303 2HG1 VAL 595 HG12 VAL 595 -7.279 15.066 23.626 304 3HG1 VAL 595 HG13 VAL 595 -8.200 16.490 23.201 305 1HG2 VAL 595 HG21 VAL 595 -4.474 16.044 23.269 306 2HG2 VAL 595 HG22 VAL 595 -4.277 16.625 24.938 307 3HG2 VAL 595 HG23 VAL 595 -5.154 15.134 24.638 308 H THR 596 H THR 596 -7.729 18.442 21.679 309 HA THR 596 HA THR 596 -9.900 19.828 23.172 310 HB THR 596 HB THR 596 -10.431 21.226 21.281 311 HG1 THR 596 HG1 THR 596 -8.965 21.306 19.506 312 1HG2 THR 596 HG21 THR 596 -7.446 21.569 21.770 313 2HG2 THR 596 HG22 THR 596 -8.611 22.803 21.244 314 3HG2 THR 596 HG23 THR 596 -8.721 22.126 22.878 315 H GLN 597 H GLN 597 -12.047 19.496 22.161 316 HA GLN 597 HA GLN 597 -12.514 16.820 21.304 317 1HB GLN 597 HB2 GLN 597 -14.165 18.368 22.389 318 2HB GLN 597 HB3 GLN 597 -14.289 19.252 20.856 319 1HG GLN 597 HG2 GLN 597 -15.092 17.186 19.735 320 2HG GLN 597 HG3 GLN 597 -14.948 16.291 21.249 321 1HE2 GLN 597 HE22 GLN 597 -17.321 17.181 19.382 322 2HE2 GLN 597 HE21 GLN 597 -18.472 17.811 20.554 323 H ASP 598 H ASP 598 -11.880 19.776 19.390 324 HA ASP 598 HA ASP 598 -12.565 18.572 16.859 325 1HB ASP 598 HB2 ASP 598 -12.400 21.072 17.454 326 2HB ASP 598 HB3 ASP 598 -10.654 20.892 17.242 327 H LEU 599 H LEU 599 -9.516 18.742 18.736 328 HA LEU 599 HA LEU 599 -7.837 17.554 16.734 329 1HB LEU 599 HB2 LEU 599 -6.994 18.745 18.735 330 2HB LEU 599 HB3 LEU 599 -7.633 17.469 19.772 331 HG LEU 599 HG LEU 599 -6.074 15.841 18.837 332 1HD1 LEU 599 HD11 LEU 599 -4.241 16.582 17.311 333 2HD1 LEU 599 HD12 LEU 599 -5.829 16.614 16.551 334 3HD1 LEU 599 HD13 LEU 599 -5.077 18.137 17.095 335 1HD2 LEU 599 HD21 LEU 599 -3.959 16.833 19.650 336 2HD2 LEU 599 HD22 LEU 599 -4.709 18.446 19.631 337 3HD2 LEU 599 HD23 LEU 599 -5.312 17.181 20.728 338 H ARG 600 H ARG 600 -9.685 16.057 19.420 339 HA ARG 600 HA ARG 600 -9.197 13.310 18.723 340 1HB ARG 600 HB2 ARG 600 -11.708 14.548 19.940 341 2HB ARG 600 HB3 ARG 600 -11.286 12.845 19.970 342 1HG ARG 600 HG2 ARG 600 -9.723 15.077 21.344 343 2HG ARG 600 HG3 ARG 600 -10.867 14.006 22.128 344 1HD ARG 600 HD2 ARG 600 -8.295 13.120 20.763 345 2HD ARG 600 HD3 ARG 600 -8.460 13.404 22.488 346 HE ARG 600 HE ARG 600 -9.519 11.132 20.932 347 1HH1 ARG 600 HH11 ARG 600 -9.598 12.702 24.081 348 2HH1 ARG 600 HH12 ARG 600 -10.269 11.298 24.856 349 1HH2 ARG 600 HH21 ARG 600 -10.346 9.411 21.970 350 2HH2 ARG 600 HH22 ARG 600 -10.715 9.482 23.687 351 H SER 601 H SER 601 -11.832 15.475 17.653 352 HA SER 601 HA SER 601 -13.207 13.681 15.974 353 1HB SER 601 HB2 SER 601 -12.794 16.666 15.552 354 2HB SER 601 HB3 SER 601 -14.034 15.671 14.774 355 HG SER 601 HG SER 601 -13.777 16.238 17.553 356 H HIS 602 H HIS 602 -10.617 15.995 14.956 357 HA HIS 602 HA HIS 602 -10.694 15.130 12.219 358 1HB HIS 602 HB2 HIS 602 -9.987 17.359 13.034 359 2HB HIS 602 HB3 HIS 602 -8.554 16.651 13.746 360 HD1 HIS 602 HD1 HIS 602 -9.662 18.331 10.679 361 HD2 HIS 602 HD2 HIS 602 -6.964 15.246 11.620 362 HE1 HIS 602 HE1 HIS 602 -8.090 18.122 8.687 363 H LEU 603 H LEU 603 -8.516 14.219 14.956 364 HA LEU 603 HA LEU 603 -6.795 12.512 13.423 365 1HB LEU 603 HB2 LEU 603 -7.609 12.511 16.354 366 2HB LEU 603 HB3 LEU 603 -6.423 11.398 15.699 367 HG LEU 603 HG LEU 603 -6.138 14.429 15.605 368 1HD1 LEU 603 HD11 LEU 603 -4.436 14.115 17.355 369 2HD1 LEU 603 HD12 LEU 603 -6.044 13.603 17.899 370 3HD1 LEU 603 HD13 LEU 603 -4.832 12.383 17.437 371 1HD2 LEU 603 HD21 LEU 603 -4.096 12.252 15.030 372 2HD2 LEU 603 HD22 LEU 603 -4.823 13.350 13.827 373 3HD2 LEU 603 HD23 LEU 603 -3.778 13.998 15.086 374 H VAL 604 H VAL 604 -9.847 11.718 15.199 375 HA VAL 604 HA VAL 604 -9.981 8.981 14.354 376 HB VAL 604 HB VAL 604 -12.142 10.969 15.123 377 1HG1 VAL 604 HG11 VAL 604 -12.511 7.981 14.605 378 2HG1 VAL 604 HG12 VAL 604 -13.703 9.094 15.316 379 3HG1 VAL 604 HG13 VAL 604 -13.230 9.296 13.643 380 1HG2 VAL 604 HG21 VAL 604 -12.230 9.652 17.178 381 2HG2 VAL 604 HG22 VAL 604 -11.061 8.481 16.525 382 3HG2 VAL 604 HG23 VAL 604 -10.560 10.142 16.888 383 H HIS 605 H HIS 605 -11.414 11.925 12.774 384 HA HIS 605 HA HIS 605 -12.629 10.488 10.682 385 1HB HIS 605 HB2 HIS 605 -13.035 12.889 11.294 386 2HB HIS 605 HB3 HIS 605 -11.522 13.313 10.489 387 HD1 HIS 605 HD1 HIS 605 -15.143 12.491 9.753 388 HD2 HIS 605 HD2 HIS 605 -11.480 12.861 7.713 389 HE1 HIS 605 HE1 HIS 605 -15.715 12.590 7.271 390 H LYS 606 H LYS 606 -9.345 11.890 10.753 391 HA LYS 606 HA LYS 606 -8.649 11.012 8.092 392 1HB LYS 606 HB2 LYS 606 -7.605 12.854 9.337 393 2HB LYS 606 HB3 LYS 606 -6.830 11.702 10.432 394 1HG LYS 606 HG2 LYS 606 -5.295 11.008 8.818 395 2HG LYS 606 HG3 LYS 606 -6.392 11.321 7.470 396 1HD LYS 606 HD2 LYS 606 -4.451 12.887 7.530 397 2HD LYS 606 HD3 LYS 606 -6.032 13.682 7.556 398 1HE LYS 606 HE2 LYS 606 -5.856 13.933 10.034 399 2HE LYS 606 HE3 LYS 606 -4.254 13.192 9.980 400 1HZ LYS 606 HZ1 LYS 606 -4.233 15.615 10.031 401 2HZ LYS 606 HZ2 LYS 606 -3.462 15.039 8.698 402 3HZ LYS 606 HZ3 LYS 606 -4.988 15.703 8.586 403 H LEU 607 H LEU 607 -8.361 9.408 11.238 404 HA LEU 607 HA LEU 607 -7.077 7.023 10.257 405 1HB LEU 607 HB2 LEU 607 -8.309 7.942 12.756 406 2HB LEU 607 HB3 LEU 607 -8.754 6.288 12.427 407 HG LEU 607 HG LEU 607 -5.853 7.042 12.081 408 1HD1 LEU 607 HD11 LEU 607 -5.318 6.593 14.393 409 2HD1 LEU 607 HD12 LEU 607 -6.273 8.069 14.221 410 3HD1 LEU 607 HD13 LEU 607 -7.055 6.576 14.811 411 1HD2 LEU 607 HD21 LEU 607 -5.505 4.768 12.861 412 2HD2 LEU 607 HD22 LEU 607 -7.224 4.624 13.304 413 3HD2 LEU 607 HD23 LEU 607 -6.742 4.741 11.588 414 H VAL 608 H VAL 608 -10.555 7.752 10.666 415 HA VAL 608 HA VAL 608 -11.601 5.395 9.497 416 HB VAL 608 HB VAL 608 -12.645 8.239 9.646 417 1HG1 VAL 608 HG11 VAL 608 -14.891 7.309 9.091 418 2HG1 VAL 608 HG12 VAL 608 -13.785 7.319 7.718 419 3HG1 VAL 608 HG13 VAL 608 -14.099 5.800 8.583 420 1HG2 VAL 608 HG21 VAL 608 -13.488 5.682 11.066 421 2HG2 VAL 608 HG22 VAL 608 -12.432 6.922 11.763 422 3HG2 VAL 608 HG23 VAL 608 -14.102 7.323 11.363 423 H GLN 609 H GLN 609 -10.678 8.445 7.800 424 HA GLN 609 HA GLN 609 -11.354 7.535 5.180 425 1HB GLN 609 HB2 GLN 609 -9.294 9.562 6.138 426 2HB GLN 609 HB3 GLN 609 -9.687 9.320 4.444 427 1HG GLN 609 HG2 GLN 609 -11.737 10.112 6.544 428 2HG GLN 609 HG3 GLN 609 -10.862 11.261 5.540 429 1HE2 GLN 609 HE22 GLN 609 -13.528 11.459 5.420 430 2HE2 GLN 609 HE21 GLN 609 -14.143 10.749 3.923 431 H ALA 610 H ALA 610 -8.214 7.259 6.944 432 HA ALA 610 HA ALA 610 -6.844 6.029 4.736 433 1HB ALA 610 HB1 ALA 610 -5.170 5.386 6.398 434 2HB ALA 610 HB2 ALA 610 -5.685 7.070 6.648 435 3HB ALA 610 HB3 ALA 610 -6.305 5.779 7.711 436 H ILE 611 H ILE 611 -8.748 4.632 7.435 437 HA ILE 611 HA ILE 611 -8.260 1.866 6.804 438 HB ILE 611 HB ILE 611 -10.582 3.199 8.247 439 1HG1 ILE 611 HG12 ILE 611 -8.342 1.603 9.543 440 2HG1 ILE 611 HG13 ILE 611 -8.117 3.300 9.222 441 1HG2 ILE 611 HG21 ILE 611 -11.016 0.907 9.174 442 2HG2 ILE 611 HG22 ILE 611 -11.280 0.984 7.440 443 3HG2 ILE 611 HG23 ILE 611 -9.790 0.248 8.073 444 1HD1 ILE 611 HD11 ILE 611 -10.149 3.822 10.591 445 2HD1 ILE 611 HD12 ILE 611 -10.288 2.100 10.986 446 3HD1 ILE 611 HD13 ILE 611 -8.862 3.013 11.502 447 H PHE 612 H PHE 612 -11.107 3.986 5.941 448 HA PHE 612 HA PHE 612 -11.373 2.415 3.431 449 1HB PHE 612 HB2 PHE 612 -12.853 1.396 5.009 450 2HB PHE 612 HB3 PHE 612 -13.554 2.943 5.436 451 HD1 PHE 612 HD1 PHE 612 -12.938 2.326 1.803 452 HD2 PHE 612 HD2 PHE 612 -15.736 1.852 5.057 453 HE1 PHE 612 HE1 PHE 612 -14.777 2.022 0.187 454 HE2 PHE 612 HE2 PHE 612 -17.562 1.498 3.425 455 HZ PHE 612 HZ PHE 612 -17.084 1.581 0.994 456 HA PRO 613 HA PRO 613 -11.146 6.821 2.303 457 1HB PRO 613 HB2 PRO 613 -11.162 5.507 -0.416 458 2HB PRO 613 HB3 PRO 613 -10.162 6.874 0.168 459 1HG PRO 613 HG2 PRO 613 -9.101 4.396 0.043 460 2HG PRO 613 HG3 PRO 613 -8.812 5.408 1.499 461 1HD PRO 613 HD2 PRO 613 -10.831 3.188 1.118 462 2HD PRO 613 HD3 PRO 613 -9.738 3.488 2.501 463 H THR 614 H THR 614 -13.750 4.750 1.744 464 HA THR 614 HA THR 614 -15.913 4.970 1.294 465 HB THR 614 HB THR 614 -15.559 7.936 1.041 466 HG1 THR 614 HG1 THR 614 -14.851 7.091 3.062 467 1HG2 THR 614 HG21 THR 614 -17.734 7.132 0.230 468 2HG2 THR 614 HG22 THR 614 -18.017 6.332 1.799 469 3HG2 THR 614 HG23 THR 614 -17.873 8.101 1.679 470 HA PRO 615 HA PRO 615 -15.752 4.975 -3.175 471 1HB PRO 615 HB2 PRO 615 -17.961 3.526 -3.751 472 2HB PRO 615 HB3 PRO 615 -16.585 2.829 -2.841 473 1HG PRO 615 HG2 PRO 615 -19.176 3.914 -1.736 474 2HG PRO 615 HG3 PRO 615 -18.340 2.388 -1.313 475 1HD PRO 615 HD2 PRO 615 -18.079 4.730 0.144 476 2HD PRO 615 HD3 PRO 615 -16.788 3.534 0.049 477 H ASP 616 H ASP 616 -18.629 6.245 -1.549 478 HA ASP 616 HA ASP 616 -18.957 8.406 -3.477 479 1HB ASP 616 HB2 ASP 616 -21.172 7.883 -4.212 480 2HB ASP 616 HB3 ASP 616 -20.204 6.461 -4.488 481 HA PRO 617 HA PRO 617 -20.174 10.444 0.180 482 1HB PRO 617 HB2 PRO 617 -21.809 12.513 -0.610 483 2HB PRO 617 HB3 PRO 617 -20.068 12.408 -1.002 484 1HG PRO 617 HG2 PRO 617 -22.418 11.568 -2.728 485 2HG PRO 617 HG3 PRO 617 -21.020 12.598 -3.185 486 1HD PRO 617 HD2 PRO 617 -21.082 9.960 -3.764 487 2HD PRO 617 HD3 PRO 617 -19.558 10.740 -3.250 488 H ALA 618 H ALA 618 -22.569 8.494 -1.190 489 HA ALA 618 HA ALA 618 -24.426 9.025 1.096 490 1HB ALA 618 HB1 ALA 618 -26.062 7.709 -0.118 491 2HB ALA 618 HB2 ALA 618 -25.482 9.047 -1.131 492 3HB ALA 618 HB3 ALA 618 -24.902 7.391 -1.421 493 H ALA 619 H ALA 619 -22.219 6.571 -0.323 494 HA ALA 619 HA ALA 619 -22.818 4.410 1.366 495 1HB ALA 619 HB1 ALA 619 -20.414 3.773 1.039 496 2HB ALA 619 HB2 ALA 619 -21.238 4.232 -0.463 497 3HB ALA 619 HB3 ALA 619 -20.129 5.373 0.328 498 H LEU 620 H LEU 620 -20.750 7.254 2.210 499 HA LEU 620 HA LEU 620 -20.148 6.182 4.805 500 1HB LEU 620 HB2 LEU 620 -19.222 8.386 5.361 501 2HB LEU 620 HB3 LEU 620 -18.573 7.634 3.928 502 HG LEU 620 HG LEU 620 -19.837 9.187 2.483 503 1HD1 LEU 620 HD11 LEU 620 -21.788 9.736 3.779 504 2HD1 LEU 620 HD12 LEU 620 -20.801 10.407 5.102 505 3HD1 LEU 620 HD13 LEU 620 -20.883 11.216 3.520 506 1HD2 LEU 620 HD21 LEU 620 -18.542 11.191 3.030 507 2HD2 LEU 620 HD22 LEU 620 -18.286 10.609 4.691 508 3HD2 LEU 620 HD23 LEU 620 -17.554 9.750 3.322 509 H LYS 621 H LYS 621 -23.104 7.433 3.789 510 HA LYS 621 HA LYS 621 -23.957 8.203 6.535 511 1HB LYS 621 HB2 LYS 621 -25.556 8.048 3.944 512 2HB LYS 621 HB3 LYS 621 -26.155 8.602 5.508 513 1HG LYS 621 HG2 LYS 621 -24.333 10.373 5.495 514 2HG LYS 621 HG3 LYS 621 -24.018 9.940 3.809 515 1HD LYS 621 HD2 LYS 621 -26.706 10.895 4.878 516 2HD LYS 621 HD3 LYS 621 -25.495 11.931 4.112 517 1HE LYS 621 HE2 LYS 621 -25.629 10.594 2.035 518 2HE LYS 621 HE3 LYS 621 -26.849 9.545 2.776 519 1HZ LYS 621 HZ1 LYS 621 -27.172 12.462 2.297 520 2HZ LYS 621 HZ2 LYS 621 -27.875 11.283 1.418 521 3HZ LYS 621 HZ3 LYS 621 -28.299 11.497 2.979 522 H ASP 622 H ASP 622 -23.581 5.283 4.830 523 HA ASP 622 HA ASP 622 -25.918 3.880 5.773 524 1HB ASP 622 HB2 ASP 622 -24.479 3.244 3.801 525 2HB ASP 622 HB3 ASP 622 -23.232 2.723 4.940 526 H ARG 623 H ARG 623 -26.165 2.431 7.441 527 HA ARG 623 HA ARG 623 -25.091 2.884 9.984 528 1HB ARG 623 HB2 ARG 623 -27.211 1.679 9.202 529 2HB ARG 623 HB3 ARG 623 -26.231 0.240 8.980 530 1HG ARG 623 HG2 ARG 623 -26.599 1.736 11.624 531 2HG ARG 623 HG3 ARG 623 -27.579 0.377 11.077 532 1HD ARG 623 HD2 ARG 623 -25.336 -0.926 10.908 533 2HD ARG 623 HD3 ARG 623 -24.693 0.360 11.954 534 HE ARG 623 HE ARG 623 -26.964 -0.373 13.279 535 1HH1 ARG 623 HH21 ARG 623 -24.199 -2.256 12.227 536 2HH1 ARG 623 HH22 ARG 623 -24.595 -3.585 13.292 537 1HH2 ARG 623 HH11 ARG 623 -27.339 -2.053 14.683 538 2HH2 ARG 623 HH12 ARG 623 -26.278 -3.429 14.695 539 H ARG 624 H ARG 624 -23.861 0.584 7.514 540 HA ARG 624 HA ARG 624 -21.910 -0.633 9.305 541 1HB ARG 624 HB2 ARG 624 -22.069 -0.513 6.268 542 2HB ARG 624 HB3 ARG 624 -20.867 -1.444 7.159 543 1HG ARG 624 HG2 ARG 624 -23.876 -1.888 7.381 544 2HG ARG 624 HG3 ARG 624 -22.775 -2.811 6.350 545 1HD ARG 624 HD2 ARG 624 -21.477 -3.503 8.350 546 2HD ARG 624 HD3 ARG 624 -22.634 -2.652 9.392 547 HE ARG 624 HE ARG 624 -24.233 -4.332 7.903 548 1HH1 ARG 624 HH21 ARG 624 -21.479 -4.933 9.996 549 2HH1 ARG 624 HH22 ARG 624 -22.013 -6.530 10.403 550 1HH2 ARG 624 HH11 ARG 624 -24.884 -6.377 8.500 551 2HH2 ARG 624 HH12 ARG 624 -23.917 -7.307 9.606 552 H MET 625 H MET 625 -21.773 2.352 7.385 553 HA MET 625 HA MET 625 -18.903 2.612 7.980 554 1HB MET 625 HB2 MET 625 -20.021 3.648 5.922 555 2HB MET 625 HB3 MET 625 -20.681 4.866 7.025 556 1HG MET 625 HG2 MET 625 -18.581 5.667 6.031 557 2HG MET 625 HG3 MET 625 -18.353 5.424 7.753 558 1HE MET 625 HE1 MET 625 -14.793 4.628 6.236 559 2HE MET 625 HE2 MET 625 -15.928 5.637 5.305 560 3HE MET 625 HE3 MET 625 -15.833 5.810 7.069 561 H GLU 626 H GLU 626 -21.992 3.771 9.431 562 HA GLU 626 HA GLU 626 -20.768 5.266 11.531 563 1HB GLU 626 HB2 GLU 626 -23.362 3.681 11.624 564 2HB GLU 626 HB3 GLU 626 -22.818 4.860 12.813 565 1HG GLU 626 HG2 GLU 626 -22.768 6.605 11.006 566 2HG GLU 626 HG3 GLU 626 -23.484 5.434 9.898 567 H ASN 627 H ASN 627 -21.319 1.758 11.216 568 HA ASN 627 HA ASN 627 -20.194 1.064 13.790 569 1HB ASN 627 HB2 ASN 627 -20.285 -0.593 11.228 570 2HB ASN 627 HB3 ASN 627 -19.867 -1.188 12.827 571 1HD2 ASN 627 HD22 ASN 627 -21.819 -0.090 14.484 572 2HD2 ASN 627 HD21 ASN 627 -23.367 -0.720 13.968 573 H LEU 628 H LEU 628 -18.626 1.445 10.565 574 HA LEU 628 HA LEU 628 -15.980 0.827 11.362 575 1HB LEU 628 HB2 LEU 628 -16.962 1.244 9.018 576 2HB LEU 628 HB3 LEU 628 -16.812 2.954 9.344 577 HG LEU 628 HG LEU 628 -15.039 2.263 7.938 578 1HD1 LEU 628 HD11 LEU 628 -14.457 3.905 9.777 579 2HD1 LEU 628 HD12 LEU 628 -13.655 2.558 10.617 580 3HD1 LEU 628 HD13 LEU 628 -13.101 3.057 9.013 581 1HD2 LEU 628 HD21 LEU 628 -14.217 0.250 10.047 582 2HD2 LEU 628 HD22 LEU 628 -15.022 -0.118 8.503 583 3HD2 LEU 628 HD23 LEU 628 -13.396 0.579 8.511 584 H VAL 629 H VAL 629 -17.584 3.987 11.229 585 HA VAL 629 HA VAL 629 -15.684 5.642 12.494 586 HB VAL 629 HB VAL 629 -18.686 5.645 12.201 587 1HG1 VAL 629 HG11 VAL 629 -18.419 6.886 14.259 588 2HG1 VAL 629 HG12 VAL 629 -17.145 7.899 13.512 589 3HG1 VAL 629 HG13 VAL 629 -18.832 7.950 12.919 590 1HG2 VAL 629 HG21 VAL 629 -16.529 7.489 11.091 591 2HG2 VAL 629 HG22 VAL 629 -17.208 6.096 10.226 592 3HG2 VAL 629 HG23 VAL 629 -18.247 7.462 10.642 593 H ALA 630 H ALA 630 -18.262 3.706 14.099 594 HA ALA 630 HA ALA 630 -17.604 4.531 16.753 595 1HB ALA 630 HB1 ALA 630 -19.789 3.595 16.108 596 2HB ALA 630 HB2 ALA 630 -19.029 2.024 15.764 597 3HB ALA 630 HB3 ALA 630 -19.054 2.660 17.422 598 H TYR 631 H TYR 631 -16.570 1.616 14.876 599 HA TYR 631 HA TYR 631 -14.887 0.498 16.915 600 1HB TYR 631 HB2 TYR 631 -15.047 -1.077 15.335 601 2HB TYR 631 HB3 TYR 631 -15.448 0.062 14.077 602 HD1 TYR 631 HD1 TYR 631 -13.923 0.680 12.403 603 HD2 TYR 631 HD2 TYR 631 -12.486 -1.457 15.877 604 HE1 TYR 631 HE1 TYR 631 -11.732 0.326 11.296 605 HE2 TYR 631 HE2 TYR 631 -10.400 -1.882 14.725 606 HH TYR 631 HH TYR 631 -9.687 -0.595 11.447 607 H ALA 632 H ALA 632 -14.132 2.830 14.275 608 HA ALA 632 HA ALA 632 -11.412 3.215 14.934 609 1HB ALA 632 HB1 ALA 632 -12.462 3.956 12.832 610 2HB ALA 632 HB2 ALA 632 -13.397 5.182 13.716 611 3HB ALA 632 HB3 ALA 632 -11.627 5.296 13.641 612 H LYS 633 H LYS 633 -14.314 5.005 16.179 613 HA LYS 633 HA LYS 633 -12.817 6.696 17.990 614 1HB LYS 633 HB2 LYS 633 -15.710 5.743 17.953 615 2HB LYS 633 HB3 LYS 633 -15.074 6.818 19.208 616 1HG LYS 633 HG2 LYS 633 -14.378 8.458 17.536 617 2HG LYS 633 HG3 LYS 633 -14.959 7.415 16.228 618 1HD LYS 633 HD2 LYS 633 -17.268 7.557 17.097 619 2HD LYS 633 HD3 LYS 633 -16.709 8.608 18.420 620 1HE LYS 633 HE2 LYS 633 -15.905 10.269 16.756 621 2HE LYS 633 HE3 LYS 633 -16.449 9.222 15.438 622 1HZ LYS 633 HZ1 LYS 633 -18.226 10.447 17.486 623 2HZ LYS 633 HZ2 LYS 633 -18.091 10.944 15.940 624 3HZ LYS 633 HZ3 LYS 633 -18.732 9.480 16.269 625 H LYS 634 H LYS 634 -14.357 3.527 18.564 626 HA LYS 634 HA LYS 634 -13.760 3.309 21.333 627 1HB LYS 634 HB2 LYS 634 -15.367 1.909 20.063 628 2HB LYS 634 HB3 LYS 634 -14.024 1.086 19.256 629 1HG LYS 634 HG2 LYS 634 -13.238 0.213 21.430 630 2HG LYS 634 HG3 LYS 634 -14.517 1.116 22.270 631 1HD LYS 634 HD2 LYS 634 -16.231 -0.169 20.978 632 2HD LYS 634 HD3 LYS 634 -14.947 -1.128 20.233 633 1HE LYS 634 HE2 LYS 634 -15.504 -0.944 23.234 634 2HE LYS 634 HE3 LYS 634 -16.116 -2.221 22.182 635 1HZ LYS 634 HZ1 LYS 634 -13.238 -1.688 22.698 636 2HZ LYS 634 HZ2 LYS 634 -14.101 -2.931 23.301 637 3HZ LYS 634 HZ3 LYS 634 -13.812 -2.854 21.699 638 H VAL 635 H VAL 635 -11.806 2.220 18.533 639 HA VAL 635 HA VAL 635 -9.625 1.298 20.235 640 HB VAL 635 HB VAL 635 -9.703 1.774 17.237 641 1HG1 VAL 635 HG11 VAL 635 -7.377 1.800 17.986 642 2HG1 VAL 635 HG12 VAL 635 -7.653 0.388 19.029 643 3HG1 VAL 635 HG13 VAL 635 -7.705 0.213 17.269 644 1HG2 VAL 635 HG21 VAL 635 -11.250 -0.032 18.024 645 2HG2 VAL 635 HG22 VAL 635 -9.890 -0.687 17.112 646 3HG2 VAL 635 HG23 VAL 635 -9.902 -0.795 18.885 647 H GLU 636 H GLU 636 -10.139 4.361 18.341 648 HA GLU 636 HA GLU 636 -7.645 5.567 18.951 649 1HB GLU 636 HB2 GLU 636 -9.181 6.490 17.338 650 2HB GLU 636 HB3 GLU 636 -10.410 6.780 18.558 651 1HG GLU 636 HG2 GLU 636 -7.744 8.091 19.006 652 2HG GLU 636 HG3 GLU 636 -8.670 8.646 17.624 653 H GLY 637 H GLY 637 -10.619 5.440 20.946 654 1HA GLY 637 HA2 GLY 637 -9.666 6.883 23.189 655 2HA GLY 637 HA3 GLY 637 -10.922 5.639 23.205 656 H ASP 638 H ASP 638 -8.949 3.523 22.228 657 HA ASP 638 HA ASP 638 -7.942 2.758 24.883 658 1HB ASP 638 HB2 ASP 638 -8.961 1.137 23.234 659 2HB ASP 638 HB3 ASP 638 -7.552 1.378 22.198 660 H MET 639 H MET 639 -6.649 4.043 21.841 661 HA MET 639 HA MET 639 -3.829 3.780 22.541 662 1HB MET 639 HB2 MET 639 -5.144 5.727 20.597 663 2HB MET 639 HB3 MET 639 -3.438 5.293 20.671 664 1HG MET 639 HG2 MET 639 -5.743 3.467 19.909 665 2HG MET 639 HG3 MET 639 -4.562 4.152 18.829 666 1HE MET 639 HE1 MET 639 -3.564 0.430 18.571 667 2HE MET 639 HE2 MET 639 -5.199 1.116 18.630 668 3HE MET 639 HE3 MET 639 -3.920 1.941 17.702 669 H TYR 640 H TYR 640 -6.306 6.292 22.888 670 HA TYR 640 HA TYR 640 -4.693 8.349 24.037 671 1HB TYR 640 HB2 TYR 640 -6.943 8.498 22.971 672 2HB TYR 640 HB3 TYR 640 -7.655 7.732 24.369 673 HD1 TYR 640 HD1 TYR 640 -7.683 8.976 26.597 674 HD2 TYR 640 HD2 TYR 640 -6.263 10.804 22.958 675 HE1 TYR 640 HE1 TYR 640 -7.810 11.219 27.668 676 HE2 TYR 640 HE2 TYR 640 -6.366 13.036 24.036 677 HH TYR 640 HH TYR 640 -7.480 13.472 27.410 678 H GLU 641 H GLU 641 -6.806 5.883 25.648 679 HA GLU 641 HA GLU 641 -6.108 6.695 28.305 680 1HB GLU 641 HB2 GLU 641 -7.380 4.209 27.111 681 2HB GLU 641 HB3 GLU 641 -7.122 4.377 28.840 682 1HG GLU 641 HG2 GLU 641 -8.703 6.419 27.224 683 2HG GLU 641 HG3 GLU 641 -9.426 5.013 27.995 684 H SER 642 H SER 642 -4.338 4.628 26.088 685 HA SER 642 HA SER 642 -2.875 3.326 28.311 686 1HB SER 642 HB2 SER 642 -1.899 1.955 26.556 687 2HB SER 642 HB3 SER 642 -3.662 1.884 26.561 688 HG SER 642 HG SER 642 -3.754 2.962 24.738 689 H ALA 643 H ALA 643 -2.211 5.737 25.761 690 HA ALA 643 HA ALA 643 0.608 5.714 25.945 691 1HB ALA 643 HB1 ALA 643 -0.675 6.705 24.101 692 2HB ALA 643 HB2 ALA 643 -1.336 7.934 25.207 693 3HB ALA 643 HB3 ALA 643 0.398 7.910 24.834 694 H ASN 644 H ASN 644 2.059 6.828 27.108 695 HA ASN 644 HA ASN 644 1.271 8.166 29.622 696 1HB ASN 644 HB2 ASN 644 3.211 6.604 29.468 697 2HB ASN 644 HB3 ASN 644 4.000 7.694 28.327 698 1HD2 ASN 644 HD22 ASN 644 5.354 9.241 29.222 699 2HD2 ASN 644 HD21 ASN 644 5.272 9.743 30.900 700 H SER 645 H SER 645 2.092 9.190 26.383 701 HA SER 645 HA SER 645 1.794 12.043 27.165 702 1HB SER 645 HB2 SER 645 3.695 12.716 25.862 703 2HB SER 645 HB3 SER 645 4.227 11.496 27.029 704 HG SER 645 HG SER 645 5.085 11.009 25.011 705 H ARG 646 H ARG 646 1.319 13.466 25.375 706 HA ARG 646 HA ARG 646 -0.639 12.534 23.530 707 1HB ARG 646 HB2 ARG 646 -0.203 14.899 24.448 708 2HB ARG 646 HB3 ARG 646 1.040 15.053 23.201 709 1HG ARG 646 HG2 ARG 646 -0.662 14.731 21.433 710 2HG ARG 646 HG3 ARG 646 -1.881 14.359 22.659 711 1HD ARG 646 HD2 ARG 646 -2.345 16.576 22.154 712 2HD ARG 646 HD3 ARG 646 -1.405 16.685 23.641 713 HE ARG 646 HE ARG 646 -0.620 17.509 20.895 714 1HH1 ARG 646 HH11 ARG 646 0.612 17.263 24.190 715 2HH1 ARG 646 HH12 ARG 646 1.891 18.390 23.834 716 1HH2 ARG 646 HH21 ARG 646 0.886 18.829 20.557 717 2HH2 ARG 646 HH22 ARG 646 2.086 19.260 21.777 718 H ASP 647 H ASP 647 2.812 13.078 23.133 719 HA ASP 647 HA ASP 647 3.024 12.545 20.326 720 1HB ASP 647 HB2 ASP 647 4.751 13.667 21.697 721 2HB ASP 647 HB3 ASP 647 5.054 12.160 22.559 722 H GLU 648 H GLU 648 3.294 10.295 23.165 723 HA GLU 648 HA GLU 648 3.748 7.955 21.527 724 1HB GLU 648 HB2 GLU 648 4.369 8.069 23.888 725 2HB GLU 648 HB3 GLU 648 2.672 8.209 24.361 726 1HG GLU 648 HG2 GLU 648 2.199 5.963 23.529 727 2HG GLU 648 HG3 GLU 648 3.801 5.854 22.788 728 H TYR 649 H TYR 649 0.770 9.455 22.835 729 HA TYR 649 HA TYR 649 -1.131 7.565 21.866 730 1HB TYR 649 HB2 TYR 649 -1.992 9.099 23.344 731 2HB TYR 649 HB3 TYR 649 -1.099 10.443 22.678 732 HD1 TYR 649 HD1 TYR 649 -3.893 8.101 21.754 733 HD2 TYR 649 HD2 TYR 649 -2.185 12.043 21.404 734 HE1 TYR 649 HE1 TYR 649 -5.982 8.914 20.652 735 HE2 TYR 649 HE2 TYR 649 -4.228 12.838 20.262 736 HH TYR 649 HH TYR 649 -6.346 12.307 19.578 737 H TYR 650 H TYR 650 -0.082 10.625 20.243 738 HA TYR 650 HA TYR 650 -1.119 10.152 17.678 739 1HB TYR 650 HB2 TYR 650 -0.143 12.264 18.045 740 2HB TYR 650 HB3 TYR 650 1.311 11.592 18.767 741 HD1 TYR 650 HD1 TYR 650 3.229 10.985 17.487 742 HD2 TYR 650 HD2 TYR 650 -0.443 12.109 15.502 743 HE1 TYR 650 HE1 TYR 650 4.365 10.805 15.287 744 HE2 TYR 650 HE2 TYR 650 0.698 11.970 13.336 745 HH TYR 650 HH TYR 650 4.126 10.897 13.023 746 H HIS 651 H HIS 651 2.081 8.918 18.906 747 HA HIS 651 HA HIS 651 2.816 7.673 16.468 748 1HB HIS 651 HB2 HIS 651 4.405 8.075 18.262 749 2HB HIS 651 HB3 HIS 651 3.532 6.986 19.340 750 HD1 HIS 651 HD1 HIS 651 5.089 6.484 15.780 751 HD2 HIS 651 HD2 HIS 651 4.723 4.718 19.584 752 HE1 HIS 651 HE1 HIS 651 6.343 4.271 15.661 753 H LEU 652 H LEU 652 0.963 6.303 19.221 754 HA LEU 652 HA LEU 652 0.575 3.688 18.107 755 1HB LEU 652 HB2 LEU 652 -1.000 5.363 20.098 756 2HB LEU 652 HB3 LEU 652 -1.405 3.703 19.706 757 HG LEU 652 HG LEU 652 1.317 4.481 20.819 758 1HD1 LEU 652 HD11 LEU 652 0.467 3.715 22.996 759 2HD1 LEU 652 HD12 LEU 652 -0.465 5.099 22.410 760 3HD1 LEU 652 HD13 LEU 652 -1.149 3.464 22.296 761 1HD2 LEU 652 HD21 LEU 652 1.418 2.097 21.445 762 2HD2 LEU 652 HD22 LEU 652 -0.149 1.815 20.654 763 3HD2 LEU 652 HD23 LEU 652 1.272 2.290 19.696 764 H LEU 653 H LEU 653 -1.425 6.673 17.801 765 HA LEU 653 HA LEU 653 -3.455 5.529 16.109 766 1HB LEU 653 HB2 LEU 653 -2.334 8.365 16.201 767 2HB LEU 653 HB3 LEU 653 -3.758 7.881 15.314 768 HG LEU 653 HG LEU 653 -3.475 7.915 18.335 769 1HD1 LEU 653 HD11 LEU 653 -3.666 10.122 17.352 770 2HD1 LEU 653 HD12 LEU 653 -4.999 9.590 16.300 771 3HD1 LEU 653 HD13 LEU 653 -5.238 9.688 18.045 772 1HD2 LEU 653 HD21 LEU 653 -5.747 7.319 18.524 773 2HD2 LEU 653 HD22 LEU 653 -6.001 7.362 16.767 774 3HD2 LEU 653 HD23 LEU 653 -5.025 6.071 17.513 775 H ALA 654 H ALA 654 -0.349 7.132 15.264 776 HA ALA 654 HA ALA 654 -0.826 6.895 12.457 777 1HB ALA 654 HB1 ALA 654 1.816 7.363 13.928 778 2HB ALA 654 HB2 ALA 654 1.424 7.802 12.248 779 3HB ALA 654 HB3 ALA 654 0.624 8.635 13.580 780 H GLU 655 H GLU 655 0.807 4.701 14.748 781 HA GLU 655 HA GLU 655 1.742 2.849 12.736 782 1HB GLU 655 HB2 GLU 655 2.542 2.882 15.077 783 2HB GLU 655 HB3 GLU 655 0.950 2.341 15.635 784 1HG GLU 655 HG2 GLU 655 1.201 0.231 14.399 785 2HG GLU 655 HG3 GLU 655 2.696 0.806 13.658 786 H LYS 656 H LYS 656 -1.394 3.177 14.472 787 HA LYS 656 HA LYS 656 -2.652 0.888 13.273 788 1HB LYS 656 HB2 LYS 656 -3.503 1.927 15.284 789 2HB LYS 656 HB3 LYS 656 -3.849 3.435 14.433 790 1HG LYS 656 HG2 LYS 656 -5.567 2.380 13.091 791 2HG LYS 656 HG3 LYS 656 -5.134 0.776 13.697 792 1HD LYS 656 HD2 LYS 656 -5.899 1.323 15.928 793 2HD LYS 656 HD3 LYS 656 -6.052 3.031 15.523 794 1HE LYS 656 HE2 LYS 656 -8.271 2.075 15.594 795 2HE LYS 656 HE3 LYS 656 -7.880 2.591 13.958 796 1HZ LYS 656 HZ1 LYS 656 -8.934 0.418 13.910 797 2HZ LYS 656 HZ2 LYS 656 -7.412 0.245 13.411 798 3HZ LYS 656 HZ3 LYS 656 -7.845 -0.251 14.898 799 H ILE 657 H ILE 657 -2.543 4.305 12.144 800 HA ILE 657 HA ILE 657 -3.992 3.990 9.693 801 HB ILE 657 HB ILE 657 -1.472 5.596 10.318 802 1HG1 ILE 657 HG12 ILE 657 -3.603 6.300 11.480 803 2HG1 ILE 657 HG13 ILE 657 -2.649 7.499 10.615 804 1HG2 ILE 657 HG21 ILE 657 -1.936 6.938 8.253 805 2HG2 ILE 657 HG22 ILE 657 -1.335 5.316 7.966 806 3HG2 ILE 657 HG23 ILE 657 -3.061 5.654 7.744 807 1HD1 ILE 657 HD11 ILE 657 -5.012 7.888 10.230 808 2HD1 ILE 657 HD12 ILE 657 -4.247 7.453 8.719 809 3HD1 ILE 657 HD13 ILE 657 -5.196 6.225 9.600 810 H TYR 658 H TYR 658 -0.496 3.618 10.287 811 HA TYR 658 HA TYR 658 0.228 2.879 7.702 812 1HB TYR 658 HB2 TYR 658 1.787 3.716 9.334 813 2HB TYR 658 HB3 TYR 658 1.471 2.376 10.419 814 HD1 TYR 658 HD1 TYR 658 2.399 2.564 6.726 815 HD2 TYR 658 HD2 TYR 658 3.339 1.054 10.673 816 HE1 TYR 658 HE1 TYR 658 4.363 1.450 5.833 817 HE2 TYR 658 HE2 TYR 658 5.334 -0.098 9.737 818 HH TYR 658 HH TYR 658 6.204 0.108 6.266 819 H LYS 659 H LYS 659 -0.161 0.614 10.479 820 HA LYS 659 HA LYS 659 0.311 -1.759 9.037 821 1HB LYS 659 HB2 LYS 659 0.277 -1.585 11.481 822 2HB LYS 659 HB3 LYS 659 -1.470 -1.336 11.492 823 1HG LYS 659 HG2 LYS 659 -0.393 -3.768 10.074 824 2HG LYS 659 HG3 LYS 659 -0.281 -3.738 11.838 825 1HD LYS 659 HD2 LYS 659 -2.741 -3.408 11.999 826 2HD LYS 659 HD3 LYS 659 -2.866 -3.510 10.230 827 1HE LYS 659 HE2 LYS 659 -1.799 -5.761 10.300 828 2HE LYS 659 HE3 LYS 659 -1.760 -5.673 12.070 829 1HZ LYS 659 HZ1 LYS 659 -4.247 -5.483 11.953 830 2HZ LYS 659 HZ2 LYS 659 -4.154 -5.749 10.318 831 3HZ LYS 659 HZ3 LYS 659 -3.681 -6.903 11.350 832 H ILE 660 H ILE 660 -2.882 -0.256 9.704 833 HA ILE 660 HA ILE 660 -4.404 -2.237 8.292 834 HB ILE 660 HB ILE 660 -5.042 0.647 9.021 835 1HG1 ILE 660 HG12 ILE 660 -5.805 -2.097 10.161 836 2HG1 ILE 660 HG13 ILE 660 -4.689 -0.960 10.892 837 1HG2 ILE 660 HG21 ILE 660 -7.442 -0.066 8.490 838 2HG2 ILE 660 HG22 ILE 660 -6.410 0.127 7.098 839 3HG2 ILE 660 HG23 ILE 660 -6.783 -1.503 7.712 840 1HD1 ILE 660 HD11 ILE 660 -6.557 0.668 11.203 841 2HD1 ILE 660 HD12 ILE 660 -7.691 -0.570 10.603 842 3HD1 ILE 660 HD13 ILE 660 -6.770 -0.874 12.070 843 H GLN 661 H GLN 661 -2.800 0.744 7.124 844 HA GLN 661 HA GLN 661 -4.078 0.630 4.547 845 1HB GLN 661 HB2 GLN 661 -3.030 2.679 5.563 846 2HB GLN 661 HB3 GLN 661 -1.443 1.965 5.252 847 1HG GLN 661 HG2 GLN 661 -1.917 3.502 3.463 848 2HG GLN 661 HG3 GLN 661 -2.048 1.880 2.795 849 1HE2 GLN 661 HE22 GLN 661 -3.905 4.768 3.775 850 2HE2 GLN 661 HE21 GLN 661 -5.404 4.228 3.031 851 H LYS 662 H LYS 662 -0.664 -0.291 5.452 852 HA LYS 662 HA LYS 662 -0.235 -1.415 2.814 853 1HB LYS 662 HB2 LYS 662 1.867 -2.319 3.648 854 2HB LYS 662 HB3 LYS 662 1.678 -0.593 3.915 855 1HG LYS 662 HG2 LYS 662 1.303 -0.881 6.252 856 2HG LYS 662 HG3 LYS 662 1.181 -2.628 6.131 857 1HD LYS 662 HD2 LYS 662 3.674 -0.988 5.481 858 2HD LYS 662 HD3 LYS 662 3.335 -1.733 7.056 859 1HE LYS 662 HE2 LYS 662 3.210 -3.976 5.937 860 2HE LYS 662 HE3 LYS 662 3.707 -3.217 4.419 861 1HZ LYS 662 HZ1 LYS 662 5.309 -3.216 6.925 862 2HZ LYS 662 HZ2 LYS 662 5.604 -4.157 5.625 863 3HZ LYS 662 HZ3 LYS 662 5.778 -2.538 5.515 864 H GLU 663 H GLU 663 -1.605 -2.860 5.698 865 HA GLU 663 HA GLU 663 -1.520 -5.607 4.742 866 1HB GLU 663 HB2 GLU 663 -1.959 -5.042 7.071 867 2HB GLU 663 HB3 GLU 663 -3.449 -4.194 6.622 868 1HG GLU 663 HG2 GLU 663 -4.493 -6.263 5.917 869 2HG GLU 663 HG3 GLU 663 -2.959 -7.137 6.026 870 H LEU 664 H LEU 664 -4.217 -3.173 4.630 871 HA LEU 664 HA LEU 664 -5.940 -4.734 3.022 872 1HB LEU 664 HB2 LEU 664 -5.629 -1.794 3.630 873 2HB LEU 664 HB3 LEU 664 -6.758 -2.282 2.395 874 HG LEU 664 HG LEU 664 -8.188 -3.380 3.810 875 1HD1 LEU 664 HD11 LEU 664 -6.204 -3.360 6.116 876 2HD1 LEU 664 HD12 LEU 664 -7.878 -3.936 6.145 877 3HD1 LEU 664 HD13 LEU 664 -6.679 -4.782 5.169 878 1HD2 LEU 664 HD21 LEU 664 -8.579 -1.748 5.700 879 2HD2 LEU 664 HD22 LEU 664 -7.052 -0.977 5.247 880 3HD2 LEU 664 HD23 LEU 664 -8.389 -1.020 4.091 881 H GLU 665 H GLU 665 -3.491 -2.334 1.915 882 HA GLU 665 HA GLU 665 -4.151 -2.386 -0.826 883 1HB GLU 665 HB2 GLU 665 -1.581 -1.822 0.682 884 2HB GLU 665 HB3 GLU 665 -1.696 -1.663 -1.075 885 1HG GLU 665 HG2 GLU 665 -3.542 -0.079 -0.885 886 2HG GLU 665 HG3 GLU 665 -3.527 -0.196 0.868 887 H GLU 666 H GLU 666 -2.527 -4.956 0.937 888 HA GLU 666 HA GLU 666 -2.035 -6.356 -1.666 889 1HB GLU 666 HB2 GLU 666 -0.741 -6.597 1.072 890 2HB GLU 666 HB3 GLU 666 -0.603 -7.825 -0.179 891 1HG GLU 666 HG2 GLU 666 0.308 -6.084 -1.753 892 2HG GLU 666 HG3 GLU 666 0.297 -4.924 -0.424 893 H LYS 667 H LYS 667 -3.638 -6.605 1.495 894 HA LYS 667 HA LYS 667 -4.399 -9.328 1.183 895 1HB LYS 667 HB2 LYS 667 -4.238 -7.964 3.315 896 2HB LYS 667 HB3 LYS 667 -5.781 -7.228 2.898 897 1HG LYS 667 HG2 LYS 667 -5.977 -8.951 4.567 898 2HG LYS 667 HG3 LYS 667 -6.887 -9.429 3.130 899 1HD LYS 667 HD2 LYS 667 -4.051 -10.427 3.561 900 2HD LYS 667 HD3 LYS 667 -5.385 -11.156 4.458 901 1HE LYS 667 HE2 LYS 667 -6.531 -11.825 2.438 902 2HE LYS 667 HE3 LYS 667 -5.391 -10.951 1.424 903 1HZ LYS 667 HZ1 LYS 667 -3.630 -12.466 2.302 904 2HZ LYS 667 HZ2 LYS 667 -4.789 -13.366 3.028 905 3HZ LYS 667 HZ3 LYS 667 -4.756 -13.206 1.389 906 H ARG 668 H ARG 668 -5.990 -6.384 0.082 907 HA ARG 668 HA ARG 668 -8.443 -7.646 -0.907 908 1HB ARG 668 HB2 ARG 668 -6.929 -5.090 -1.560 909 2HB ARG 668 HB3 ARG 668 -8.348 -5.563 -2.487 910 1HG ARG 668 HG2 ARG 668 -9.836 -5.235 -0.758 911 2HG ARG 668 HG3 ARG 668 -8.614 -5.452 0.515 912 1HD ARG 668 HD2 ARG 668 -7.624 -3.393 0.117 913 2HD ARG 668 HD3 ARG 668 -8.497 -3.112 -1.413 914 HE ARG 668 HE ARG 668 -10.536 -3.161 0.371 915 1HH1 ARG 668 HH11 ARG 668 -7.630 -1.233 0.139 916 2HH1 ARG 668 HH12 ARG 668 -8.301 0.068 1.076 917 1HH2 ARG 668 HH21 ARG 668 -11.304 -1.506 1.642 918 2HH2 ARG 668 HH22 ARG 668 -10.313 -0.091 1.922 919 H ARG 669 H ARG 669 -5.254 -7.074 -2.307 920 HA ARG 669 HA ARG 669 -5.905 -8.086 -4.973 921 1HB ARG 669 HB2 ARG 669 -3.261 -7.370 -3.624 922 2HB ARG 669 HB3 ARG 669 -3.415 -7.887 -5.306 923 1HG ARG 669 HG2 ARG 669 -4.955 -5.989 -5.758 924 2HG ARG 669 HG3 ARG 669 -4.725 -5.405 -4.100 925 1HD ARG 669 HD2 ARG 669 -2.358 -5.004 -4.498 926 2HD ARG 669 HD3 ARG 669 -2.430 -5.838 -6.048 927 HE ARG 669 HE ARG 669 -3.476 -4.024 -7.064 928 1HH1 ARG 669 HH11 ARG 669 -3.055 -3.217 -3.656 929 2HH1 ARG 669 HH12 ARG 669 -3.389 -1.530 -3.960 930 1HH2 ARG 669 HH21 ARG 669 -3.898 -1.882 -7.330 931 2HH2 ARG 669 HH22 ARG 669 -3.866 -0.807 -5.965 932 H SER 670 H SER 670 -4.669 -9.560 -2.083 933 HA SER 670 HA SER 670 -4.409 -12.211 -3.453 934 1HB SER 670 HB2 SER 670 -2.758 -11.057 -1.176 935 2HB SER 670 HB3 SER 670 -2.600 -12.693 -1.847 936 HG SER 670 HG SER 670 -1.087 -11.219 -2.762 937 H ARG 671 H ARG 671 -6.853 -11.410 -2.452 938 HA ARG 671 HA ARG 671 -7.452 -12.060 0.214 939 1HB ARG 671 HB2 ARG 671 -9.755 -11.945 -0.426 940 2HB ARG 671 HB3 ARG 671 -8.833 -10.713 -1.253 941 1HG ARG 671 HG2 ARG 671 -10.240 -11.422 -2.932 942 2HG ARG 671 HG3 ARG 671 -8.785 -12.335 -3.293 943 1HD ARG 671 HD2 ARG 671 -10.722 -13.755 -3.566 944 2HD ARG 671 HD3 ARG 671 -9.797 -14.333 -2.191 945 HE ARG 671 HE ARG 671 -12.075 -12.487 -1.697 946 1HH1 ARG 671 HH11 ARG 671 -10.933 -15.839 -1.418 947 2HH1 ARG 671 HH12 ARG 671 -12.257 -16.241 -0.361 948 1HH2 ARG 671 HH21 ARG 671 -13.679 -13.126 -0.327 949 2HH2 ARG 671 HH22 ARG 671 -13.751 -14.771 0.229 950 H LEU 672 H LEU 672 -6.727 -14.295 -2.199 951 HA LEU 672 HA LEU 672 -7.126 -16.499 -2.609 952 1HB LEU 672 HB2 LEU 672 -5.180 -16.048 -0.871 953 2HB LEU 672 HB3 LEU 672 -6.199 -16.931 0.234 954 HG LEU 672 HG LEU 672 -4.553 -18.395 -0.663 955 1HD1 LEU 672 HD11 LEU 672 -6.787 -19.435 -0.443 956 2HD1 LEU 672 HD12 LEU 672 -7.114 -19.077 -2.155 957 3HD1 LEU 672 HD13 LEU 672 -5.805 -20.188 -1.708 958 1HD2 LEU 672 HD21 LEU 672 -5.491 -17.703 -3.475 959 2HD2 LEU 672 HD22 LEU 672 -4.004 -17.111 -2.701 960 3HD2 LEU 672 HD23 LEU 672 -4.208 -18.840 -3.024 961 1H SER 839 H1 SER 839 -4.211 -12.855 25.630 962 2H SER 839 H2 SER 839 -3.335 -11.933 24.596 963 3H SER 839 H3 SER 839 -4.750 -11.368 25.208 964 HA SER 839 HA SER 839 -4.436 -13.650 23.375 965 1HB SER 839 HB2 SER 839 -6.995 -12.503 24.553 966 2HB SER 839 HB3 SER 839 -6.874 -13.806 23.352 967 HG SER 839 HG SER 839 -7.071 -14.608 25.498 968 H ASP 840 H ASP 840 -3.518 -12.548 21.649 969 HA ASP 840 HA ASP 840 -5.292 -10.717 20.186 970 1HB ASP 840 HB2 ASP 840 -3.808 -9.333 21.745 971 2HB ASP 840 HB3 ASP 840 -2.426 -9.895 20.810 972 H ALA 841 H ALA 841 -5.172 -11.033 18.076 973 HA ALA 841 HA ALA 841 -2.776 -12.177 16.767 974 1HB ALA 841 HB1 ALA 841 -4.259 -14.098 17.309 975 2HB ALA 841 HB2 ALA 841 -5.595 -13.309 16.437 976 3HB ALA 841 HB3 ALA 841 -4.143 -13.840 15.560 977 H GLY 842 H GLY 842 -4.395 -9.537 16.940 978 1HA GLY 842 HA2 GLY 842 -4.059 -8.076 14.832 979 2HA GLY 842 HA3 GLY 842 -5.246 -9.155 14.090 980 H ASN 843 H ASN 843 -5.535 -8.185 17.496 981 HA ASN 843 HA ASN 843 -8.276 -7.676 17.287 982 1HB ASN 843 HB2 ASN 843 -6.269 -6.709 19.368 983 2HB ASN 843 HB3 ASN 843 -8.014 -6.652 19.566 984 1HD2 ASN 843 HD21 ASN 843 -6.927 -7.863 21.538 985 2HD2 ASN 843 HD22 ASN 843 -6.971 -9.613 21.414 986 H ILE 844 H ILE 844 -5.711 -5.386 16.636 987 HA ILE 844 HA ILE 844 -7.192 -2.956 16.952 988 HB ILE 844 HB ILE 844 -4.731 -3.615 15.286 989 1HG1 ILE 844 HG12 ILE 844 -5.163 -2.262 17.998 990 2HG1 ILE 844 HG13 ILE 844 -4.442 -3.848 17.723 991 1HG2 ILE 844 HG21 ILE 844 -6.035 -0.931 15.872 992 2HG2 ILE 844 HG22 ILE 844 -4.397 -1.110 15.176 993 3HG2 ILE 844 HG23 ILE 844 -5.773 -1.661 14.265 994 1HD1 ILE 844 HD11 ILE 844 -2.563 -2.716 16.471 995 2HD1 ILE 844 HD12 ILE 844 -3.239 -1.153 17.005 996 3HD1 ILE 844 HD13 ILE 844 -2.670 -2.324 18.202 997 H LEU 845 H LEU 845 -7.478 -5.369 14.457 998 HA LEU 845 HA LEU 845 -9.448 -3.619 13.063 999 1HB LEU 845 HB2 LEU 845 -7.513 -3.430 11.721 1000 2HB LEU 845 HB3 LEU 845 -7.209 -5.166 11.755 1001 HG LEU 845 HG LEU 845 -9.056 -5.625 10.300 1002 1HD1 LEU 845 HD11 LEU 845 -10.453 -3.846 9.250 1003 2HD1 LEU 845 HD12 LEU 845 -10.757 -3.983 10.994 1004 3HD1 LEU 845 HD13 LEU 845 -9.752 -2.661 10.362 1005 1HD2 LEU 845 HD21 LEU 845 -8.348 -4.478 8.297 1006 2HD2 LEU 845 HD22 LEU 845 -7.594 -3.187 9.245 1007 3HD2 LEU 845 HD23 LEU 845 -6.936 -4.840 9.293 1008 HA PRO 846 HA PRO 846 -11.670 -7.397 14.623 1009 1HB PRO 846 HB2 PRO 846 -13.630 -5.193 13.851 1010 2HB PRO 846 HB3 PRO 846 -13.815 -6.439 15.135 1011 1HG PRO 846 HG2 PRO 846 -13.011 -4.004 15.820 1012 2HG PRO 846 HG3 PRO 846 -12.043 -5.398 16.426 1013 1HD PRO 846 HD2 PRO 846 -11.552 -3.684 13.977 1014 2HD PRO 846 HD3 PRO 846 -10.391 -4.117 15.281 1015 H SER 847 H SER 847 -12.452 -9.049 13.378 1016 HA SER 847 HA SER 847 -12.063 -9.049 10.589 1017 1HB SER 847 HB2 SER 847 -13.141 -11.289 10.663 1018 2HB SER 847 HB3 SER 847 -11.867 -11.059 11.872 1019 HG SER 847 HG SER 847 -13.783 -12.049 12.733 1020 H ASP 848 H ASP 848 -15.134 -8.653 12.371 1021 HA ASP 848 HA ASP 848 -16.884 -8.806 10.126 1022 1HB ASP 848 HB2 ASP 848 -17.556 -8.939 12.524 1023 2HB ASP 848 HB3 ASP 848 -17.222 -7.216 12.701 1024 H ILE 849 H ILE 849 -15.110 -6.033 11.489 1025 HA ILE 849 HA ILE 849 -16.127 -4.098 9.529 1026 HB ILE 849 HB ILE 849 -14.041 -4.073 11.712 1027 1HG1 ILE 849 HG12 ILE 849 -15.149 -1.967 12.315 1028 2HG1 ILE 849 HG13 ILE 849 -16.161 -2.036 10.874 1029 1HG2 ILE 849 HG21 ILE 849 -13.263 -1.837 10.955 1030 2HG2 ILE 849 HG22 ILE 849 -12.730 -3.133 9.906 1031 3HG2 ILE 849 HG23 ILE 849 -14.083 -2.107 9.403 1032 1HD1 ILE 849 HD11 ILE 849 -17.352 -2.662 12.959 1033 2HD1 ILE 849 HD12 ILE 849 -17.362 -3.976 11.772 1034 3HD1 ILE 849 HD13 ILE 849 -16.252 -4.044 13.167 1035 H MET 850 H MET 850 -13.130 -6.076 9.884 1036 HA MET 850 HA MET 850 -11.775 -5.027 7.690 1037 1HB MET 850 HB2 MET 850 -10.866 -6.593 9.439 1038 2HB MET 850 HB3 MET 850 -11.629 -7.935 8.582 1039 1HG MET 850 HG2 MET 850 -10.307 -7.464 6.573 1040 2HG MET 850 HG3 MET 850 -9.653 -6.003 7.305 1041 1HE MET 850 HE1 MET 850 -7.651 -7.777 5.970 1042 2HE MET 850 HE2 MET 850 -7.146 -6.436 7.027 1043 3HE MET 850 HE3 MET 850 -6.403 -8.038 7.209 1044 H ASP 851 H ASP 851 -13.950 -7.906 7.624 1045 HA ASP 851 HA ASP 851 -13.630 -8.503 4.877 1046 1HB ASP 851 HB2 ASP 851 -14.675 -9.988 6.539 1047 2HB ASP 851 HB3 ASP 851 -16.030 -8.875 6.723 1048 H PHE 852 H PHE 852 -15.970 -6.267 6.424 1049 HA PHE 852 HA PHE 852 -17.281 -5.401 4.015 1050 1HB PHE 852 HB2 PHE 852 -18.247 -5.078 6.217 1051 2HB PHE 852 HB3 PHE 852 -16.886 -4.114 6.742 1052 HD1 PHE 852 HD1 PHE 852 -16.807 -1.756 6.374 1053 HD2 PHE 852 HD2 PHE 852 -19.819 -4.155 4.429 1054 HE1 PHE 852 HE1 PHE 852 -18.018 0.306 5.704 1055 HE2 PHE 852 HE2 PHE 852 -21.026 -2.088 3.755 1056 HZ PHE 852 HZ PHE 852 -20.121 0.145 4.383 1057 H VAL 853 H VAL 853 -14.428 -4.055 5.789 1058 HA VAL 853 HA VAL 853 -13.973 -1.891 3.961 1059 HB VAL 853 HB VAL 853 -12.028 -3.322 5.868 1060 1HG1 VAL 853 HG11 VAL 853 -11.684 -0.755 4.239 1061 2HG1 VAL 853 HG12 VAL 853 -10.685 -1.203 5.624 1062 3HG1 VAL 853 HG13 VAL 853 -10.665 -2.215 4.177 1063 1HG2 VAL 853 HG21 VAL 853 -13.913 -2.059 6.937 1064 2HG2 VAL 853 HG22 VAL 853 -12.308 -1.379 7.252 1065 3HG2 VAL 853 HG23 VAL 853 -13.395 -0.611 6.068 1066 H LEU 854 H LEU 854 -12.660 -5.286 3.825 1067 HA LEU 854 HA LEU 854 -11.027 -4.612 1.543 1068 1HB LEU 854 HB2 LEU 854 -11.992 -7.428 1.987 1069 2HB LEU 854 HB3 LEU 854 -10.545 -6.817 1.177 1070 HG LEU 854 HG LEU 854 -11.052 -7.137 4.128 1071 1HD1 LEU 854 HD11 LEU 854 -10.205 -9.045 2.839 1072 2HD1 LEU 854 HD12 LEU 854 -8.820 -8.068 2.303 1073 3HD1 LEU 854 HD13 LEU 854 -9.030 -8.462 4.026 1074 1HD2 LEU 854 HD21 LEU 854 -9.998 -4.928 3.939 1075 2HD2 LEU 854 HD22 LEU 854 -8.863 -6.111 4.574 1076 3HD2 LEU 854 HD23 LEU 854 -8.741 -5.600 2.868 1077 H LYS 855 H LYS 855 -14.305 -6.031 1.791 1078 HA LYS 855 HA LYS 855 -14.644 -6.610 -0.989 1079 1HB LYS 855 HB2 LYS 855 -16.567 -6.246 1.320 1080 2HB LYS 855 HB3 LYS 855 -17.129 -6.584 -0.323 1081 1HG LYS 855 HG2 LYS 855 -15.821 -8.630 -0.448 1082 2HG LYS 855 HG3 LYS 855 -15.067 -8.307 1.121 1083 1HD LYS 855 HD2 LYS 855 -16.735 -9.965 1.384 1084 2HD LYS 855 HD3 LYS 855 -17.337 -8.493 2.155 1085 1HE LYS 855 HE2 LYS 855 -19.126 -9.518 0.946 1086 2HE LYS 855 HE3 LYS 855 -18.722 -8.014 0.126 1087 1HZ LYS 855 HZ1 LYS 855 -17.510 -9.369 -1.528 1088 2HZ LYS 855 HZ2 LYS 855 -17.889 -10.745 -0.729 1089 3HZ LYS 855 HZ3 LYS 855 -19.061 -9.860 -1.433 1090 H ASN 856 H ASN 856 -15.125 -3.570 0.709 1091 HA ASN 856 HA ASN 856 -17.078 -2.481 -1.045 1092 1HB ASN 856 HB2 ASN 856 -15.405 -1.522 1.229 1093 2HB ASN 856 HB3 ASN 856 -15.883 -0.305 0.092 1094 1HD2 ASN 856 HD22 ASN 856 -17.005 -2.373 2.602 1095 2HD2 ASN 856 HD21 ASN 856 -18.641 -1.729 2.637 1096 H THR 857 H THR 857 -13.506 -1.885 -1.142 1097 HA THR 857 HA THR 857 -13.904 0.171 -3.138 1098 HB THR 857 HB THR 857 -11.471 0.436 -3.126 1099 HG1 THR 857 HG1 THR 857 -10.238 -0.778 -1.806 1100 1HG2 THR 857 HG21 THR 857 -12.659 0.247 -0.322 1101 2HG2 THR 857 HG22 THR 857 -11.273 1.234 -0.833 1102 3HG2 THR 857 HG23 THR 857 -12.892 1.604 -1.450 1103 HA PRO 858 HA PRO 858 -11.484 -2.787 -6.103 1104 1HB PRO 858 HB2 PRO 858 -13.041 -5.331 -5.665 1105 2HB PRO 858 HB3 PRO 858 -11.330 -5.112 -6.137 1106 1HG PRO 858 HG2 PRO 858 -11.978 -5.753 -3.584 1107 2HG PRO 858 HG3 PRO 858 -10.717 -4.518 -3.906 1108 1HD PRO 858 HD2 PRO 858 -13.632 -4.085 -3.207 1109 2HD PRO 858 HD3 PRO 858 -12.178 -3.303 -2.528 1110 H SER 859 H SER 859 -12.174 -2.073 -8.046 1111 HA SER 859 HA SER 859 -14.988 -1.966 -8.805 1112 1HB SER 859 HB2 SER 859 -14.090 -0.928 -10.872 1113 2HB SER 859 HB3 SER 859 -13.514 -0.146 -9.391 1114 HG SER 859 HG SER 859 -11.820 -0.520 -10.915 1115 H MET 860 H MET 860 -12.441 -4.271 -9.322 1116 HA MET 860 HA MET 860 -13.152 -5.300 -11.840 1117 1HB MET 860 HB2 MET 860 -11.763 -6.735 -9.538 1118 2HB MET 860 HB3 MET 860 -11.783 -7.246 -11.226 1119 1HG MET 860 HG2 MET 860 -9.737 -6.232 -11.049 1120 2HG MET 860 HG3 MET 860 -10.722 -4.977 -11.790 1121 1HE MET 860 HE1 MET 860 -7.830 -4.612 -10.513 1122 2HE MET 860 HE2 MET 860 -8.739 -3.273 -11.251 1123 3HE MET 860 HE3 MET 860 -8.019 -3.077 -9.637 1124 H GLN 861 H GLN 861 -15.016 -5.655 -9.041 1125 HA GLN 861 HA GLN 861 -15.814 -8.354 -9.058 1126 1HB GLN 861 HB2 GLN 861 -17.221 -5.840 -8.088 1127 2HB GLN 861 HB3 GLN 861 -17.763 -7.483 -7.708 1128 1HG GLN 861 HG2 GLN 861 -15.668 -7.995 -6.571 1129 2HG GLN 861 HG3 GLN 861 -14.980 -6.437 -7.019 1130 1HE2 GLN 861 HE22 GLN 861 -14.754 -6.812 -4.458 1131 2HE2 GLN 861 HE21 GLN 861 -15.945 -5.852 -3.583 1132 H ALA 862 H ALA 862 -16.722 -6.011 -11.396 1133 HA ALA 862 HA ALA 862 -18.629 -7.966 -12.593 1134 1HB ALA 862 HB1 ALA 862 -19.024 -4.945 -12.457 1135 2HB ALA 862 HB2 ALA 862 -20.094 -6.109 -13.267 1136 3HB ALA 862 HB3 ALA 862 -19.918 -6.154 -11.506 1137 H LEU 863 H LEU 863 -15.664 -7.019 -13.030 1138 HA LEU 863 HA LEU 863 -15.594 -5.735 -15.615 1139 1HB LEU 863 HB2 LEU 863 -13.817 -5.520 -13.956 1140 2HB LEU 863 HB3 LEU 863 -13.505 -7.257 -14.011 1141 HG LEU 863 HG LEU 863 -12.732 -7.051 -16.361 1142 1HD1 LEU 863 HD11 LEU 863 -12.271 -4.779 -17.282 1143 2HD1 LEU 863 HD12 LEU 863 -14.000 -5.093 -17.131 1144 3HD1 LEU 863 HD13 LEU 863 -13.180 -4.061 -15.936 1145 1HD2 LEU 863 HD21 LEU 863 -10.642 -5.871 -15.858 1146 2HD2 LEU 863 HD22 LEU 863 -11.392 -5.093 -14.447 1147 3HD2 LEU 863 HD23 LEU 863 -11.143 -6.853 -14.474 1148 H GLY 864 H GLY 864 -16.329 -6.675 -17.400 1149 1HA GLY 864 HA2 GLY 864 -15.179 -8.614 -18.876 1150 2HA GLY 864 HA3 GLY 864 -16.249 -9.589 -17.862 1151 H GLU 865 H GLU 865 -18.327 -7.405 -17.839 1152 HA GLU 865 HA GLU 865 -19.252 -7.215 -20.641 1153 1HB GLU 865 HB2 GLU 865 -19.995 -9.445 -19.847 1154 2HB GLU 865 HB3 GLU 865 -20.813 -8.693 -18.474 1155 1HG GLU 865 HG2 GLU 865 -22.390 -7.577 -19.958 1156 2HG GLU 865 HG3 GLU 865 -21.465 -8.060 -21.382 1157 H SER 866 H SER 866 -20.771 -5.567 -20.976 1158 HA SER 866 HA SER 866 -20.715 -3.349 -19.234 1159 1HB SER 866 HB2 SER 866 -22.663 -3.964 -21.491 1160 2HB SER 866 HB3 SER 866 -22.382 -2.369 -20.766 1161 HG SER 866 HG SER 866 -21.155 -2.679 -22.689 1162 HA PRO 867 HA PRO 867 -24.276 -4.162 -16.559 1163 1HB PRO 867 HB2 PRO 867 -24.720 -1.681 -15.521 1164 2HB PRO 867 HB3 PRO 867 -23.276 -2.653 -15.104 1165 1HG PRO 867 HG2 PRO 867 -23.497 -0.446 -17.176 1166 2HG PRO 867 HG3 PRO 867 -22.257 -0.639 -15.895 1167 1HD PRO 867 HD2 PRO 867 -21.851 -1.475 -18.466 1168 2HD PRO 867 HD3 PRO 867 -21.179 -2.370 -17.070 1169 H GLU 868 H GLU 868 -26.544 -3.526 -16.297 1170 HA GLU 868 HA GLU 868 -27.822 -1.766 -18.268 1171 1HB GLU 868 HB2 GLU 868 -27.616 -3.951 -19.453 1172 2HB GLU 868 HB3 GLU 868 -28.487 -4.745 -18.137 1173 1HG GLU 868 HG2 GLU 868 -30.503 -3.432 -18.643 1174 2HG GLU 868 HG3 GLU 868 -29.621 -2.487 -19.845 1175 H SER 869 H SER 869 -29.866 -1.069 -17.594 1176 HA SER 869 HA SER 869 -31.207 -2.179 -15.232 1177 1HB SER 869 HB2 SER 869 -29.442 -0.588 -14.337 1178 2HB SER 869 HB3 SER 869 -30.257 0.716 -15.217 1179 HG SER 869 HG SER 869 -31.331 -0.948 -13.138 Start of MODEL 14 1 1H LYS 291 H1 LYS 291 7.944 4.331 -3.163 2 2H LYS 291 H2 LYS 291 9.070 3.372 -2.449 3 3H LYS 291 H3 LYS 291 7.846 2.710 -3.310 4 HA LYS 291 HA LYS 291 6.192 3.480 -1.726 5 1HB LYS 291 HB2 LYS 291 8.490 1.865 -0.545 6 2HB LYS 291 HB3 LYS 291 6.979 2.132 0.306 7 1HG LYS 291 HG2 LYS 291 7.099 0.784 -2.416 8 2HG LYS 291 HG3 LYS 291 7.211 -0.070 -0.879 9 1HD LYS 291 HD2 LYS 291 4.973 0.779 -0.209 10 2HD LYS 291 HD3 LYS 291 4.824 1.604 -1.781 11 1HE LYS 291 HE2 LYS 291 5.134 -0.583 -2.928 12 2HE LYS 291 HE3 LYS 291 5.239 -1.398 -1.366 13 1HZ LYS 291 HZ1 LYS 291 3.006 -1.516 -2.359 14 2HZ LYS 291 HZ2 LYS 291 2.941 -0.781 -0.913 15 3HZ LYS 291 HZ3 LYS 291 2.846 0.107 -2.296 16 H GLU 292 H GLU 292 9.477 4.261 -0.627 17 HA GLU 292 HA GLU 292 9.261 5.248 1.798 18 1HB GLU 292 HB2 GLU 292 10.873 6.668 -0.352 19 2HB GLU 292 HB3 GLU 292 11.188 6.620 1.379 20 1HG GLU 292 HG2 GLU 292 12.681 5.042 0.710 21 2HG GLU 292 HG3 GLU 292 11.308 3.994 1.015 22 H LYS 293 H LYS 293 8.377 7.369 -0.966 23 HA LYS 293 HA LYS 293 7.825 9.742 0.530 24 1HB LYS 293 HB2 LYS 293 6.715 8.794 -2.060 25 2HB LYS 293 HB3 LYS 293 6.441 10.408 -1.399 26 1HG LYS 293 HG2 LYS 293 8.875 10.840 -1.469 27 2HG LYS 293 HG3 LYS 293 9.160 9.208 -2.108 28 1HD LYS 293 HD2 LYS 293 7.731 9.753 -4.092 29 2HD LYS 293 HD3 LYS 293 7.534 11.406 -3.463 30 1HE LYS 293 HE2 LYS 293 10.009 11.661 -3.471 31 2HE LYS 293 HE3 LYS 293 10.174 10.054 -4.189 32 1HZ LYS 293 HZ1 LYS 293 10.234 11.771 -5.902 33 2HZ LYS 293 HZ2 LYS 293 8.899 10.858 -6.114 34 3HZ LYS 293 HZ3 LYS 293 8.775 12.352 -5.460 35 H ARG 294 H ARG 294 5.375 7.360 -0.619 36 HA ARG 294 HA ARG 294 3.335 8.600 0.996 37 1HB ARG 294 HB2 ARG 294 1.818 6.848 0.392 38 2HB ARG 294 HB3 ARG 294 2.695 7.464 -0.999 39 1HG ARG 294 HG2 ARG 294 2.703 5.191 -1.401 40 2HG ARG 294 HG3 ARG 294 4.271 5.505 -0.703 41 1HD ARG 294 HD2 ARG 294 3.611 3.511 0.275 42 2HD ARG 294 HD3 ARG 294 3.218 4.631 1.578 43 HE ARG 294 HE ARG 294 0.860 4.501 0.165 44 1HH1 ARG 294 HH11 ARG 294 2.933 2.032 1.585 45 2HH1 ARG 294 HH12 ARG 294 1.583 0.888 1.633 46 1HH2 ARG 294 HH21 ARG 294 -0.783 2.892 0.417 47 2HH2 ARG 294 HH22 ARG 294 -0.286 1.349 1.124 48 H ILE 295 H ILE 295 5.656 6.093 1.709 49 HA ILE 295 HA ILE 295 4.420 4.976 4.050 50 HB ILE 295 HB ILE 295 7.306 5.285 3.175 51 1HG1 ILE 295 HG12 ILE 295 5.816 3.796 1.841 52 2HG1 ILE 295 HG13 ILE 295 7.231 3.015 2.528 53 1HG2 ILE 295 HG21 ILE 295 7.561 5.148 5.519 54 2HG2 ILE 295 HG22 ILE 295 6.309 3.910 5.676 55 3HG2 ILE 295 HG23 ILE 295 7.862 3.523 4.902 56 1HD1 ILE 295 HD11 ILE 295 4.429 2.811 3.711 57 2HD1 ILE 295 HD12 ILE 295 5.122 1.668 2.538 58 3HD1 ILE 295 HD13 ILE 295 5.879 1.842 4.122 59 H LYS 296 H LYS 296 6.794 7.684 3.763 60 HA LYS 296 HA LYS 296 6.483 8.483 6.539 61 1HB LYS 296 HB2 LYS 296 8.504 8.964 5.177 62 2HB LYS 296 HB3 LYS 296 7.557 9.992 4.105 63 1HG LYS 296 HG2 LYS 296 8.892 11.299 5.674 64 2HG LYS 296 HG3 LYS 296 7.173 11.605 5.914 65 1HD LYS 296 HD2 LYS 296 7.141 10.156 7.898 66 2HD LYS 296 HD3 LYS 296 8.828 9.697 7.642 67 1HE LYS 296 HE2 LYS 296 7.863 12.550 8.152 68 2HE LYS 296 HE3 LYS 296 8.376 11.443 9.429 69 1HZ LYS 296 HZ1 LYS 296 10.206 12.864 8.762 70 2HZ LYS 296 HZ2 LYS 296 10.568 11.324 8.374 71 3HZ LYS 296 HZ3 LYS 296 10.115 12.379 7.209 72 H GLU 297 H GLU 297 4.967 9.608 3.501 73 HA GLU 297 HA GLU 297 3.492 11.775 4.510 74 1HB GLU 297 HB2 GLU 297 3.761 11.054 2.106 75 2HB GLU 297 HB3 GLU 297 2.583 9.779 2.424 76 1HG GLU 297 HG2 GLU 297 0.878 11.502 2.975 77 2HG GLU 297 HG3 GLU 297 2.100 12.744 2.664 78 H LEU 298 H LEU 298 2.438 8.316 4.399 79 HA LEU 298 HA LEU 298 -0.115 8.661 5.559 80 1HB LEU 298 HB2 LEU 298 0.727 6.612 4.393 81 2HB LEU 298 HB3 LEU 298 1.813 6.292 5.739 82 HG LEU 298 HG LEU 298 -0.329 6.224 7.227 83 1HD1 LEU 298 HD11 LEU 298 -1.617 5.934 4.478 84 2HD1 LEU 298 HD12 LEU 298 -2.401 5.603 6.038 85 3HD1 LEU 298 HD13 LEU 298 -1.911 7.253 5.636 86 1HD2 LEU 298 HD21 LEU 298 0.155 4.128 5.095 87 2HD2 LEU 298 HD22 LEU 298 0.920 4.264 6.701 88 3HD2 LEU 298 HD23 LEU 298 -0.810 3.903 6.576 89 H GLU 299 H GLU 299 3.038 8.081 7.129 90 HA GLU 299 HA GLU 299 2.020 7.909 9.804 91 1HB GLU 299 HB2 GLU 299 4.256 7.062 8.902 92 2HB GLU 299 HB3 GLU 299 4.806 8.735 8.850 93 1HG GLU 299 HG2 GLU 299 4.457 8.928 11.308 94 2HG GLU 299 HG3 GLU 299 3.888 7.257 11.352 95 H LEU 300 H LEU 300 3.439 10.607 7.933 96 HA LEU 300 HA LEU 300 3.316 12.560 10.032 97 1HB LEU 300 HB2 LEU 300 4.934 12.538 8.174 98 2HB LEU 300 HB3 LEU 300 3.630 12.779 7.013 99 HG LEU 300 HG LEU 300 3.204 15.029 7.895 100 1HD1 LEU 300 HD11 LEU 300 4.785 16.062 9.512 101 2HD1 LEU 300 HD12 LEU 300 3.851 14.768 10.260 102 3HD1 LEU 300 HD13 LEU 300 5.542 14.475 9.783 103 1HD2 LEU 300 HD21 LEU 300 5.282 16.076 7.136 104 2HD2 LEU 300 HD22 LEU 300 6.151 14.535 7.318 105 3HD2 LEU 300 HD23 LEU 300 4.862 14.699 6.103 106 H LEU 301 H LEU 301 0.978 11.646 7.529 107 HA LEU 301 HA LEU 301 -0.619 13.895 7.363 108 1HB LEU 301 HB2 LEU 301 -0.997 10.961 7.003 109 2HB LEU 301 HB3 LEU 301 -2.488 11.820 7.317 110 HG LEU 301 HG LEU 301 -0.556 12.662 5.119 111 1HD1 LEU 301 HD11 LEU 301 -3.064 10.922 4.963 112 2HD1 LEU 301 HD12 LEU 301 -2.145 11.551 3.575 113 3HD1 LEU 301 HD13 LEU 301 -1.393 10.389 4.675 114 1HD2 LEU 301 HD21 LEU 301 -2.138 14.434 5.860 115 2HD2 LEU 301 HD22 LEU 301 -2.537 13.852 4.242 116 3HD2 LEU 301 HD23 LEU 301 -3.497 13.313 5.635 117 H LEU 302 H LEU 302 -0.877 11.399 9.905 118 HA LEU 302 HA LEU 302 -3.054 12.649 11.344 119 1HB LEU 302 HB2 LEU 302 -0.947 10.561 11.937 120 2HB LEU 302 HB3 LEU 302 -1.929 11.172 13.258 121 HG LEU 302 HG LEU 302 -3.217 10.019 10.788 122 1HD1 LEU 302 HD11 LEU 302 -2.328 8.767 13.421 123 2HD1 LEU 302 HD12 LEU 302 -3.518 8.034 12.339 124 3HD1 LEU 302 HD13 LEU 302 -1.862 8.304 11.757 125 1HD2 LEU 302 HD21 LEU 302 -4.208 10.421 13.648 126 2HD2 LEU 302 HD22 LEU 302 -4.678 11.441 12.267 127 3HD2 LEU 302 HD23 LEU 302 -5.130 9.728 12.301 128 H MET 303 H MET 303 0.478 12.671 11.962 129 HA MET 303 HA MET 303 0.397 14.332 14.225 130 1HB MET 303 HB2 MET 303 2.626 13.833 12.230 131 2HB MET 303 HB3 MET 303 2.837 14.712 13.752 132 1HG MET 303 HG2 MET 303 1.936 12.752 14.987 133 2HG MET 303 HG3 MET 303 1.905 11.829 13.485 134 1HE MET 303 HE1 MET 303 4.733 12.756 12.078 135 2HE MET 303 HE2 MET 303 5.697 11.380 12.652 136 3HE MET 303 HE3 MET 303 4.015 11.128 12.135 137 H SER 304 H SER 304 0.308 15.302 10.861 138 HA SER 304 HA SER 304 1.173 18.007 11.088 139 1HB SER 304 HB2 SER 304 -0.772 16.734 9.122 140 2HB SER 304 HB3 SER 304 -0.023 18.330 8.936 141 HG SER 304 HG SER 304 1.301 15.808 9.066 142 H THR 305 H THR 305 -1.847 16.638 12.138 143 HA THR 305 HA THR 305 -3.728 18.605 11.531 144 HB THR 305 HB THR 305 -3.634 16.938 14.065 145 HG1 THR 305 HG1 THR 305 -3.584 15.485 12.556 146 1HG2 THR 305 HG21 THR 305 -5.929 18.233 12.534 147 2HG2 THR 305 HG22 THR 305 -6.136 16.978 13.782 148 3HG2 THR 305 HG23 THR 305 -5.448 18.541 14.214 149 H GLU 306 H GLU 306 -1.601 18.659 14.448 150 HA GLU 306 HA GLU 306 -3.022 20.848 15.582 151 1HB GLU 306 HB2 GLU 306 -0.261 19.735 16.093 152 2HB GLU 306 HB3 GLU 306 -0.849 21.182 16.929 153 1HG GLU 306 HG2 GLU 306 -2.866 19.937 17.701 154 2HG GLU 306 HG3 GLU 306 -2.245 18.480 16.937 155 H ASN 307 H ASN 307 -0.670 20.875 13.000 156 HA ASN 307 HA ASN 307 -0.108 23.766 13.202 157 1HB ASN 307 HB2 ASN 307 0.408 21.769 10.955 158 2HB ASN 307 HB3 ASN 307 0.998 23.424 11.012 159 1HD2 ASN 307 HD22 ASN 307 2.322 20.607 11.098 160 2HD2 ASN 307 HD21 ASN 307 3.476 20.803 12.409 161 H GLU 308 H GLU 308 -2.496 21.688 11.607 162 HA GLU 308 HA GLU 308 -3.572 23.861 9.920 163 1HB GLU 308 HB2 GLU 308 -4.467 21.008 10.482 164 2HB GLU 308 HB3 GLU 308 -5.343 22.120 9.427 165 1HG GLU 308 HG2 GLU 308 -2.440 21.274 9.001 166 2HG GLU 308 HG3 GLU 308 -3.829 20.539 8.219 167 H LEU 309 H LEU 309 -4.203 22.537 13.082 168 HA LEU 309 HA LEU 309 -6.683 23.886 13.624 169 1HB LEU 309 HB2 LEU 309 -4.549 22.421 15.109 170 2HB LEU 309 HB3 LEU 309 -5.501 23.517 16.075 171 HG LEU 309 HG LEU 309 -7.502 22.377 15.760 172 1HD1 LEU 309 HD11 LEU 309 -7.840 20.433 14.257 173 2HD1 LEU 309 HD12 LEU 309 -7.593 21.927 13.361 174 3HD1 LEU 309 HD13 LEU 309 -6.265 20.756 13.496 175 1HD2 LEU 309 HD21 LEU 309 -5.323 20.255 15.775 176 2HD2 LEU 309 HD22 LEU 309 -5.833 21.212 17.190 177 3HD2 LEU 309 HD23 LEU 309 -6.966 20.081 16.432 178 H LYS 310 H LYS 310 -3.986 25.471 12.760 179 HA LYS 310 HA LYS 310 -3.830 27.714 14.522 180 1HB LYS 310 HB2 LYS 310 -2.917 28.915 12.569 181 2HB LYS 310 HB3 LYS 310 -2.168 27.339 12.814 182 1HG LYS 310 HG2 LYS 310 -3.537 26.380 10.987 183 2HG LYS 310 HG3 LYS 310 -4.337 27.931 10.740 184 1HD LYS 310 HD2 LYS 310 -2.396 28.965 9.900 185 2HD LYS 310 HD3 LYS 310 -1.307 27.730 10.545 186 1HE LYS 310 HE2 LYS 310 -3.430 26.967 8.523 187 2HE LYS 310 HE3 LYS 310 -1.948 27.749 7.964 188 1HZ LYS 310 HZ1 LYS 310 -2.001 25.160 8.149 189 2HZ LYS 310 HZ2 LYS 310 -0.661 25.961 8.663 190 3HZ LYS 310 HZ3 LYS 310 -1.751 25.414 9.744 191 H GLY 311 H GLY 311 -6.354 26.843 12.278 192 1HA GLY 311 HA2 GLY 311 -7.683 29.352 11.959 193 2HA GLY 311 HA3 GLY 311 -8.437 27.760 11.867 194 H GLN 312 H GLN 312 -8.830 30.559 13.321 195 HA GLN 312 HA GLN 312 -9.916 29.482 15.881 196 1HB GLN 312 HB2 GLN 312 -8.639 31.141 17.162 197 2HB GLN 312 HB3 GLN 312 -7.596 30.036 16.282 198 1HG GLN 312 HG2 GLN 312 -7.390 31.872 14.469 199 2HG GLN 312 HG3 GLN 312 -8.182 32.950 15.621 200 1HE2 GLN 312 HE22 GLN 312 -5.300 30.875 15.071 201 2HE2 GLN 312 HE21 GLN 312 -4.288 31.734 16.235 202 H GLN 313 H GLN 313 -10.789 31.159 13.256 203 HA GLN 313 HA GLN 313 -11.977 33.542 14.343 204 1HB GLN 313 HB2 GLN 313 -12.965 33.801 12.149 205 2HB GLN 313 HB3 GLN 313 -11.274 33.332 12.021 206 1HG GLN 313 HG2 GLN 313 -12.002 30.961 11.542 207 2HG GLN 313 HG3 GLN 313 -13.681 31.492 11.627 208 1HE2 GLN 313 HE21 GLN 313 -14.552 31.793 9.569 209 2HE2 GLN 313 HE22 GLN 313 -13.621 32.370 8.192 210 H ALA 314 H ALA 314 -13.016 30.353 14.751 211 HA ALA 314 HA ALA 314 -15.904 31.053 14.913 212 1HB ALA 314 HB1 ALA 314 -14.494 28.355 14.846 213 2HB ALA 314 HB2 ALA 314 -15.209 29.190 13.446 214 3HB ALA 314 HB3 ALA 314 -16.247 28.635 14.771 215 H LEU 315 H LEU 315 -13.396 31.101 17.054 216 HA LEU 315 HA LEU 315 -14.468 29.741 19.378 217 1HB LEU 315 HB2 LEU 315 -12.428 31.990 19.094 218 2HB LEU 315 HB3 LEU 315 -12.761 31.123 20.585 219 HG LEU 315 HG LEU 315 -11.600 29.873 18.056 220 1HD1 LEU 315 HD11 LEU 315 -10.334 30.540 20.747 221 2HD1 LEU 315 HD12 LEU 315 -9.536 29.734 19.377 222 3HD1 LEU 315 HD13 LEU 315 -10.065 31.418 19.224 223 1HD2 LEU 315 HD21 LEU 315 -11.141 27.922 19.525 224 2HD2 LEU 315 HD22 LEU 315 -12.872 28.198 19.309 225 3HD2 LEU 315 HD23 LEU 315 -12.081 28.692 20.825 226 1H GLY 586 H1 GLY 586 -3.191 8.626 40.059 227 2H GLY 586 H2 GLY 586 -3.419 7.967 38.575 228 3H GLY 586 H3 GLY 586 -4.467 7.635 39.788 229 1HA GLY 586 HA2 GLY 586 -5.213 9.917 39.867 230 2HA GLY 586 HA3 GLY 586 -4.060 10.294 38.573 231 H VAL 587 H VAL 587 -6.842 10.785 38.422 232 HA VAL 587 HA VAL 587 -8.339 8.781 37.037 233 HB VAL 587 HB VAL 587 -8.678 11.802 36.941 234 1HG1 VAL 587 HG11 VAL 587 -10.084 10.710 35.234 235 2HG1 VAL 587 HG12 VAL 587 -10.692 9.563 36.447 236 3HG1 VAL 587 HG13 VAL 587 -11.081 11.293 36.560 237 1HG2 VAL 587 HG21 VAL 587 -10.338 11.447 38.771 238 2HG2 VAL 587 HG22 VAL 587 -9.852 9.741 38.864 239 3HG2 VAL 587 HG23 VAL 587 -8.706 11.033 39.283 240 H ARG 588 H ARG 588 -5.987 11.054 35.861 241 HA ARG 588 HA ARG 588 -6.163 10.017 33.066 242 1HB ARG 588 HB2 ARG 588 -6.213 12.926 33.967 243 2HB ARG 588 HB3 ARG 588 -5.906 12.426 32.295 244 1HG ARG 588 HG2 ARG 588 -8.166 11.338 32.244 245 2HG ARG 588 HG3 ARG 588 -8.484 11.969 33.866 246 1HD ARG 588 HD2 ARG 588 -7.912 13.629 31.390 247 2HD ARG 588 HD3 ARG 588 -9.502 13.379 32.126 248 HE ARG 588 HE ARG 588 -8.232 14.421 34.234 249 1HH1 ARG 588 HH21 ARG 588 -8.249 15.676 30.925 250 2HH1 ARG 588 HH22 ARG 588 -7.672 17.245 31.507 251 1HH2 ARG 588 HH11 ARG 588 -7.591 16.537 34.763 252 2HH2 ARG 588 HH12 ARG 588 -7.395 17.680 33.430 253 H LYS 589 H LYS 589 -4.211 10.602 31.805 254 HA LYS 589 HA LYS 589 -1.786 10.263 33.456 255 1HB LYS 589 HB2 LYS 589 -2.250 10.051 30.456 256 2HB LYS 589 HB3 LYS 589 -0.709 9.744 31.263 257 1HG LYS 589 HG2 LYS 589 -1.731 7.970 32.632 258 2HG LYS 589 HG3 LYS 589 -3.292 8.229 31.832 259 1HD LYS 589 HD2 LYS 589 -2.393 7.510 29.689 260 2HD LYS 589 HD3 LYS 589 -0.750 7.465 30.349 261 1HE LYS 589 HE2 LYS 589 -1.577 5.208 30.195 262 2HE LYS 589 HE3 LYS 589 -1.381 5.656 31.898 263 1HZ LYS 589 HZ1 LYS 589 -3.852 6.092 31.889 264 2HZ LYS 589 HZ2 LYS 589 -3.919 5.504 30.367 265 3HZ LYS 589 HZ3 LYS 589 -3.476 4.529 31.591 266 H GLY 590 H GLY 590 -3.206 12.977 33.034 267 1HA GLY 590 HA2 GLY 590 -2.419 15.078 33.542 268 2HA GLY 590 HA3 GLY 590 -0.768 14.490 33.374 269 H TRP 591 H TRP 591 -0.615 13.763 30.759 270 HA TRP 591 HA TRP 591 -0.302 16.195 29.323 271 1HB TRP 591 HB2 TRP 591 0.327 14.838 27.476 272 2HB TRP 591 HB3 TRP 591 0.965 14.096 28.933 273 HD1 TRP 591 HD1 TRP 591 0.095 11.662 29.511 274 HE1 TRP 591 HE1 TRP 591 -1.119 9.860 28.121 275 HE3 TRP 591 HE3 TRP 591 -1.505 14.566 25.601 276 HZ2 TRP 591 HZ2 TRP 591 -2.753 9.752 25.768 277 HZ3 TRP 591 HZ3 TRP 591 -2.798 13.545 23.742 278 HH2 TRP 591 HH2 TRP 591 -3.470 11.163 23.840 279 H HIS 592 H HIS 592 -3.166 14.416 29.783 280 HA HIS 592 HA HIS 592 -4.642 14.780 27.408 281 1HB HIS 592 HB2 HIS 592 -5.532 14.702 30.322 282 2HB HIS 592 HB3 HIS 592 -6.606 14.568 28.941 283 HD1 HIS 592 HD1 HIS 592 -7.441 12.155 29.507 284 HD2 HIS 592 HD2 HIS 592 -3.261 12.491 29.086 285 HE1 HIS 592 HE1 HIS 592 -6.516 9.785 29.563 286 H GLU 593 H GLU 593 -3.851 17.137 29.926 287 HA GLU 593 HA GLU 593 -5.812 19.137 29.395 288 1HB GLU 593 HB2 GLU 593 -2.940 19.300 30.398 289 2HB GLU 593 HB3 GLU 593 -4.069 20.645 30.424 290 1HG GLU 593 HG2 GLU 593 -4.495 18.014 31.906 291 2HG GLU 593 HG3 GLU 593 -3.837 19.482 32.614 292 H HIS 594 H HIS 594 -3.010 18.213 27.482 293 HA HIS 594 HA HIS 594 -2.839 20.756 26.034 294 1HB HIS 594 HB2 HIS 594 -1.582 18.060 25.413 295 2HB HIS 594 HB3 HIS 594 -1.116 19.618 24.736 296 HD1 HIS 594 HD1 HIS 594 -0.528 21.442 27.109 297 HD2 HIS 594 HD2 HIS 594 0.178 17.299 27.112 298 HE1 HIS 594 HE1 HIS 594 1.199 21.019 28.935 299 H VAL 595 H VAL 595 -5.121 18.344 25.870 300 HA VAL 595 HA VAL 595 -5.454 18.447 22.890 301 HB VAL 595 HB VAL 595 -6.151 16.275 24.903 302 1HG1 VAL 595 HG11 VAL 595 -7.830 16.123 23.192 303 2HG1 VAL 595 HG12 VAL 595 -6.633 16.367 21.898 304 3HG1 VAL 595 HG13 VAL 595 -6.622 14.885 22.860 305 1HG2 VAL 595 HG21 VAL 595 -4.080 16.395 22.665 306 2HG2 VAL 595 HG22 VAL 595 -3.745 16.364 24.412 307 3HG2 VAL 595 HG23 VAL 595 -4.478 14.963 23.635 308 H THR 596 H THR 596 -7.517 18.547 21.992 309 HA THR 596 HA THR 596 -9.779 19.454 23.721 310 HB THR 596 HB THR 596 -10.378 21.101 22.033 311 HG1 THR 596 HG1 THR 596 -8.845 21.547 20.364 312 1HG2 THR 596 HG21 THR 596 -8.657 22.758 22.351 313 2HG2 THR 596 HG22 THR 596 -8.792 21.809 23.843 314 3HG2 THR 596 HG23 THR 596 -7.441 21.518 22.724 315 H GLN 597 H GLN 597 -11.898 19.147 22.764 316 HA GLN 597 HA GLN 597 -12.288 16.651 21.481 317 1HB GLN 597 HB2 GLN 597 -13.933 17.887 22.894 318 2HB GLN 597 HB3 GLN 597 -14.176 19.037 21.568 319 1HG GLN 597 HG2 GLN 597 -15.040 17.201 20.133 320 2HG GLN 597 HG3 GLN 597 -14.676 16.031 21.404 321 1HE2 GLN 597 HE22 GLN 597 -16.863 15.324 21.686 322 2HE2 GLN 597 HE21 GLN 597 -18.092 16.401 22.336 323 H ASP 598 H ASP 598 -11.812 19.872 20.036 324 HA ASP 598 HA ASP 598 -12.625 19.181 17.367 325 1HB ASP 598 HB2 ASP 598 -12.305 21.505 18.300 326 2HB ASP 598 HB3 ASP 598 -10.557 21.241 18.224 327 H LEU 599 H LEU 599 -9.432 18.994 19.034 328 HA LEU 599 HA LEU 599 -8.004 17.944 16.768 329 1HB LEU 599 HB2 LEU 599 -6.874 18.933 18.726 330 2HB LEU 599 HB3 LEU 599 -7.483 17.640 19.756 331 HG LEU 599 HG LEU 599 -6.150 15.973 18.552 332 1HD1 LEU 599 HD11 LEU 599 -6.072 17.010 16.287 333 2HD1 LEU 599 HD12 LEU 599 -5.021 18.293 16.933 334 3HD1 LEU 599 HD13 LEU 599 -4.469 16.612 16.894 335 1HD2 LEU 599 HD21 LEU 599 -5.121 17.184 20.453 336 2HD2 LEU 599 HD22 LEU 599 -3.916 16.730 19.242 337 3HD2 LEU 599 HD23 LEU 599 -4.493 18.409 19.337 338 H ARG 600 H ARG 600 -9.543 16.270 19.580 339 HA ARG 600 HA ARG 600 -9.111 13.593 18.750 340 1HB ARG 600 HB2 ARG 600 -11.570 14.734 20.155 341 2HB ARG 600 HB3 ARG 600 -11.142 13.034 20.087 342 1HG ARG 600 HG2 ARG 600 -9.489 15.195 21.456 343 2HG ARG 600 HG3 ARG 600 -10.619 14.125 22.260 344 1HD ARG 600 HD2 ARG 600 -8.100 13.280 20.776 345 2HD ARG 600 HD3 ARG 600 -8.244 13.442 22.523 346 HE ARG 600 HE ARG 600 -9.049 11.179 20.947 347 1HH1 ARG 600 HH21 ARG 600 -9.732 12.768 24.000 348 2HH1 ARG 600 HH22 ARG 600 -10.518 11.355 24.642 349 1HH2 ARG 600 HH11 ARG 600 -10.204 9.562 21.710 350 2HH2 ARG 600 HH12 ARG 600 -10.783 9.552 23.375 351 H SER 601 H SER 601 -11.864 15.689 17.855 352 HA SER 601 HA SER 601 -13.300 13.839 16.256 353 1HB SER 601 HB2 SER 601 -13.006 16.848 15.872 354 2HB SER 601 HB3 SER 601 -14.265 15.829 15.148 355 HG SER 601 HG SER 601 -13.851 16.406 17.900 356 H HIS 602 H HIS 602 -10.836 16.250 15.193 357 HA HIS 602 HA HIS 602 -10.930 15.467 12.433 358 1HB HIS 602 HB2 HIS 602 -10.213 17.666 13.302 359 2HB HIS 602 HB3 HIS 602 -8.792 16.932 14.017 360 HD1 HIS 602 HD1 HIS 602 -9.876 18.656 10.948 361 HD2 HIS 602 HD2 HIS 602 -7.151 15.606 11.924 362 HE1 HIS 602 HE1 HIS 602 -8.265 18.479 8.981 363 H LEU 603 H LEU 603 -8.739 14.475 15.137 364 HA LEU 603 HA LEU 603 -7.109 12.768 13.489 365 1HB LEU 603 HB2 LEU 603 -7.646 12.635 16.481 366 2HB LEU 603 HB3 LEU 603 -6.455 11.683 15.615 367 HG LEU 603 HG LEU 603 -6.410 14.635 16.225 368 1HD1 LEU 603 HD11 LEU 603 -4.361 12.414 16.516 369 2HD1 LEU 603 HD12 LEU 603 -4.182 14.099 17.064 370 3HD1 LEU 603 HD13 LEU 603 -5.410 13.070 17.792 371 1HD2 LEU 603 HD21 LEU 603 -4.625 13.339 14.150 372 2HD2 LEU 603 HD22 LEU 603 -5.829 14.618 13.864 373 3HD2 LEU 603 HD23 LEU 603 -4.431 14.963 14.869 374 H VAL 604 H VAL 604 -10.128 12.009 15.342 375 HA VAL 604 HA VAL 604 -10.249 9.243 14.600 376 HB VAL 604 HB VAL 604 -12.418 11.271 15.227 377 1HG1 VAL 604 HG11 VAL 604 -14.020 9.427 15.407 378 2HG1 VAL 604 HG12 VAL 604 -13.484 9.588 13.747 379 3HG1 VAL 604 HG13 VAL 604 -12.825 8.279 14.760 380 1HG2 VAL 604 HG21 VAL 604 -12.633 10.010 17.300 381 2HG2 VAL 604 HG22 VAL 604 -11.471 8.793 16.731 382 3HG2 VAL 604 HG23 VAL 604 -10.934 10.443 17.092 383 H HIS 605 H HIS 605 -11.614 12.114 12.850 384 HA HIS 605 HA HIS 605 -12.646 10.637 10.660 385 1HB HIS 605 HB2 HIS 605 -13.165 13.003 11.199 386 2HB HIS 605 HB3 HIS 605 -11.544 13.475 10.695 387 HD1 HIS 605 HD1 HIS 605 -14.936 12.512 9.248 388 HD2 HIS 605 HD2 HIS 605 -11.015 13.405 8.003 389 HE1 HIS 605 HE1 HIS 605 -15.058 12.911 6.732 390 H LYS 606 H LYS 606 -9.408 12.032 11.105 391 HA LYS 606 HA LYS 606 -8.381 11.154 8.566 392 1HB LYS 606 HB2 LYS 606 -7.578 13.046 9.901 393 2HB LYS 606 HB3 LYS 606 -6.839 11.930 11.058 394 1HG LYS 606 HG2 LYS 606 -5.096 11.422 9.637 395 2HG LYS 606 HG3 LYS 606 -6.113 11.436 8.193 396 1HD LYS 606 HD2 LYS 606 -4.404 13.233 8.184 397 2HD LYS 606 HD3 LYS 606 -6.064 13.826 8.032 398 1HE LYS 606 HE2 LYS 606 -6.114 14.425 10.420 399 2HE LYS 606 HE3 LYS 606 -4.491 13.772 10.644 400 1HZ LYS 606 HZ1 LYS 606 -4.484 16.140 10.395 401 2HZ LYS 606 HZ2 LYS 606 -3.645 15.446 9.164 402 3HZ LYS 606 HZ3 LYS 606 -5.172 16.073 8.908 403 H LEU 607 H LEU 607 -8.521 9.569 11.718 404 HA LEU 607 HA LEU 607 -6.957 7.271 11.059 405 1HB LEU 607 HB2 LEU 607 -8.218 8.119 13.340 406 2HB LEU 607 HB3 LEU 607 -9.400 6.958 12.787 407 HG LEU 607 HG LEU 607 -7.402 5.286 12.669 408 1HD1 LEU 607 HD11 LEU 607 -5.592 7.035 12.961 409 2HD1 LEU 607 HD12 LEU 607 -6.238 7.400 14.558 410 3HD1 LEU 607 HD13 LEU 607 -5.550 5.799 14.243 411 1HD2 LEU 607 HD21 LEU 607 -7.558 4.749 15.018 412 2HD2 LEU 607 HD22 LEU 607 -8.253 6.351 15.355 413 3HD2 LEU 607 HD23 LEU 607 -9.157 5.169 14.376 414 H VAL 608 H VAL 608 -10.481 7.873 10.850 415 HA VAL 608 HA VAL 608 -11.321 5.475 9.670 416 HB VAL 608 HB VAL 608 -12.454 8.285 9.526 417 1HG1 VAL 608 HG11 VAL 608 -14.602 7.251 8.823 418 2HG1 VAL 608 HG12 VAL 608 -13.374 7.153 7.566 419 3HG1 VAL 608 HG13 VAL 608 -13.748 5.718 8.547 420 1HG2 VAL 608 HG21 VAL 608 -14.015 7.466 11.177 421 2HG2 VAL 608 HG22 VAL 608 -13.408 5.801 11.003 422 3HG2 VAL 608 HG23 VAL 608 -12.398 7.056 11.741 423 H GLN 609 H GLN 609 -10.390 8.472 7.830 424 HA GLN 609 HA GLN 609 -10.999 7.303 5.328 425 1HB GLN 609 HB2 GLN 609 -9.729 9.082 4.294 426 2HB GLN 609 HB3 GLN 609 -10.780 9.705 5.575 427 1HG GLN 609 HG2 GLN 609 -8.753 9.750 6.999 428 2HG GLN 609 HG3 GLN 609 -7.752 9.295 5.626 429 1HE2 GLN 609 HE21 GLN 609 -7.583 10.866 3.799 430 2HE2 GLN 609 HE22 GLN 609 -7.927 12.558 4.122 431 H ALA 610 H ALA 610 -7.922 6.969 7.135 432 HA ALA 610 HA ALA 610 -6.662 5.711 4.793 433 1HB ALA 610 HB1 ALA 610 -4.771 5.303 6.305 434 2HB ALA 610 HB2 ALA 610 -5.273 7.014 6.325 435 3HB ALA 610 HB3 ALA 610 -5.727 5.927 7.659 436 H ILE 611 H ILE 611 -8.499 4.647 7.627 437 HA ILE 611 HA ILE 611 -7.875 1.816 7.396 438 HB ILE 611 HB ILE 611 -10.219 3.295 8.648 439 1HG1 ILE 611 HG12 ILE 611 -7.926 1.783 9.978 440 2HG1 ILE 611 HG13 ILE 611 -7.857 3.496 9.667 441 1HG2 ILE 611 HG21 ILE 611 -9.543 0.317 8.854 442 2HG2 ILE 611 HG22 ILE 611 -10.857 1.179 9.692 443 3HG2 ILE 611 HG23 ILE 611 -10.928 0.993 7.961 444 1HD1 ILE 611 HD11 ILE 611 -8.514 3.177 11.955 445 2HD1 ILE 611 HD12 ILE 611 -9.905 3.836 11.073 446 3HD1 ILE 611 HD13 ILE 611 -9.846 2.109 11.500 447 H PHE 612 H PHE 612 -10.716 3.801 6.241 448 HA PHE 612 HA PHE 612 -10.666 2.170 3.779 449 1HB PHE 612 HB2 PHE 612 -12.276 1.032 5.140 450 2HB PHE 612 HB3 PHE 612 -13.063 2.541 5.566 451 HD1 PHE 612 HD1 PHE 612 -15.240 2.180 4.798 452 HD2 PHE 612 HD2 PHE 612 -11.964 1.399 2.116 453 HE1 PHE 612 HE1 PHE 612 -16.830 2.037 2.913 454 HE2 PHE 612 HE2 PHE 612 -13.548 1.291 0.218 455 HZ PHE 612 HZ PHE 612 -15.986 1.599 0.609 456 HA PRO 613 HA PRO 613 -10.774 6.512 2.459 457 1HB PRO 613 HB2 PRO 613 -10.952 5.111 -0.210 458 2HB PRO 613 HB3 PRO 613 -9.968 6.537 0.251 459 1HG PRO 613 HG2 PRO 613 -8.812 4.101 0.119 460 2HG PRO 613 HG3 PRO 613 -8.459 5.170 1.519 461 1HD PRO 613 HD2 PRO 613 -10.403 2.858 1.355 462 2HD PRO 613 HD3 PRO 613 -9.222 3.249 2.641 463 H THR 614 H THR 614 -13.302 4.272 2.074 464 HA THR 614 HA THR 614 -15.493 4.401 1.801 465 HB THR 614 HB THR 614 -15.091 6.962 2.581 466 HG1 THR 614 HG1 THR 614 -17.311 6.926 2.830 467 1HG2 THR 614 HG21 THR 614 -16.847 7.207 0.102 468 2HG2 THR 614 HG22 THR 614 -16.420 8.472 1.266 469 3HG2 THR 614 HG23 THR 614 -15.189 7.830 0.181 470 HA PRO 615 HA PRO 615 -15.699 3.794 -2.585 471 1HB PRO 615 HB2 PRO 615 -18.240 2.945 -2.929 472 2HB PRO 615 HB3 PRO 615 -17.077 2.027 -1.923 473 1HG PRO 615 HG2 PRO 615 -19.311 3.818 -1.024 474 2HG PRO 615 HG3 PRO 615 -18.749 2.272 -0.322 475 1HD PRO 615 HD2 PRO 615 -17.993 4.885 0.495 476 2HD PRO 615 HD3 PRO 615 -17.204 3.379 0.984 477 H ASP 616 H ASP 616 -18.316 5.745 -1.216 478 HA ASP 616 HA ASP 616 -18.344 7.791 -3.322 479 1HB ASP 616 HB2 ASP 616 -20.644 5.885 -2.705 480 2HB ASP 616 HB3 ASP 616 -20.874 7.392 -3.538 481 HA PRO 617 HA PRO 617 -19.170 10.069 0.297 482 1HB PRO 617 HB2 PRO 617 -20.567 12.295 -0.506 483 2HB PRO 617 HB3 PRO 617 -18.868 11.966 -0.962 484 1HG PRO 617 HG2 PRO 617 -21.371 11.437 -2.579 485 2HG PRO 617 HG3 PRO 617 -19.836 12.187 -3.122 486 1HD PRO 617 HD2 PRO 617 -20.449 9.551 -3.540 487 2HD PRO 617 HD3 PRO 617 -18.769 10.068 -3.267 488 H ALA 618 H ALA 618 -22.069 8.950 -1.314 489 HA ALA 618 HA ALA 618 -23.953 9.506 0.789 490 1HB ALA 618 HB1 ALA 618 -25.272 7.733 -0.316 491 2HB ALA 618 HB2 ALA 618 -24.600 8.865 -1.505 492 3HB ALA 618 HB3 ALA 618 -23.856 7.262 -1.281 493 H ALA 619 H ALA 619 -21.410 7.042 0.463 494 HA ALA 619 HA ALA 619 -22.443 5.195 2.412 495 1HB ALA 619 HB1 ALA 619 -20.243 4.172 2.232 496 2HB ALA 619 HB2 ALA 619 -20.755 4.690 0.610 497 3HB ALA 619 HB3 ALA 619 -19.584 5.659 1.535 498 H LEU 620 H LEU 620 -20.343 8.076 2.677 499 HA LEU 620 HA LEU 620 -19.374 7.789 5.302 500 1HB LEU 620 HB2 LEU 620 -20.170 10.283 3.744 501 2HB LEU 620 HB3 LEU 620 -19.219 10.302 5.213 502 HG LEU 620 HG LEU 620 -18.325 8.907 2.662 503 1HD1 LEU 620 HD11 LEU 620 -16.818 10.827 2.366 504 2HD1 LEU 620 HD12 LEU 620 -18.512 11.344 2.340 505 3HD1 LEU 620 HD13 LEU 620 -17.528 11.620 3.792 506 1HD2 LEU 620 HD21 LEU 620 -16.088 8.970 3.761 507 2HD2 LEU 620 HD22 LEU 620 -16.828 9.655 5.218 508 3HD2 LEU 620 HD23 LEU 620 -17.236 8.008 4.705 509 H LYS 621 H LYS 621 -22.616 8.445 4.342 510 HA LYS 621 HA LYS 621 -23.415 9.006 7.173 511 1HB LYS 621 HB2 LYS 621 -25.259 10.324 6.352 512 2HB LYS 621 HB3 LYS 621 -23.727 10.975 5.784 513 1HG LYS 621 HG2 LYS 621 -24.063 10.024 3.557 514 2HG LYS 621 HG3 LYS 621 -25.546 9.212 4.073 515 1HD LYS 621 HD2 LYS 621 -25.131 12.234 4.028 516 2HD LYS 621 HD3 LYS 621 -25.929 11.294 2.757 517 1HE LYS 621 HE2 LYS 621 -27.628 10.508 4.399 518 2HE LYS 621 HE3 LYS 621 -26.862 11.484 5.657 519 1HZ LYS 621 HZ1 LYS 621 -28.738 12.650 4.662 520 2HZ LYS 621 HZ2 LYS 621 -27.365 13.470 4.338 521 3HZ LYS 621 HZ3 LYS 621 -28.078 12.569 3.173 522 H ASP 622 H ASP 622 -23.159 6.414 5.560 523 HA ASP 622 HA ASP 622 -25.905 5.322 6.036 524 1HB ASP 622 HB2 ASP 622 -24.936 5.019 3.773 525 2HB ASP 622 HB3 ASP 622 -23.556 4.174 4.479 526 H ARG 623 H ARG 623 -26.212 3.659 7.452 527 HA ARG 623 HA ARG 623 -24.770 3.428 9.801 528 1HB ARG 623 HB2 ARG 623 -26.073 1.470 10.291 529 2HB ARG 623 HB3 ARG 623 -27.085 2.708 9.554 530 1HG ARG 623 HG2 ARG 623 -27.188 1.497 7.440 531 2HG ARG 623 HG3 ARG 623 -25.919 0.383 7.965 532 1HD ARG 623 HD2 ARG 623 -27.405 -0.235 9.896 533 2HD ARG 623 HD3 ARG 623 -28.749 0.499 9.004 534 HE ARG 623 HE ARG 623 -27.329 -2.019 8.519 535 1HH1 ARG 623 HH21 ARG 623 -29.161 0.367 6.722 536 2HH1 ARG 623 HH22 ARG 623 -29.746 -0.816 5.584 537 1HH2 ARG 623 HH11 ARG 623 -28.321 -3.481 7.237 538 2HH2 ARG 623 HH12 ARG 623 -29.215 -2.955 5.831 539 H ARG 624 H ARG 624 -24.243 1.443 6.923 540 HA ARG 624 HA ARG 624 -22.428 -0.498 8.007 541 1HB ARG 624 HB2 ARG 624 -22.852 0.675 5.243 542 2HB ARG 624 HB3 ARG 624 -21.416 -0.263 5.565 543 1HG ARG 624 HG2 ARG 624 -23.002 -1.712 4.593 544 2HG ARG 624 HG3 ARG 624 -22.708 -2.204 6.258 545 1HD ARG 624 HD2 ARG 624 -25.051 -2.482 5.756 546 2HD ARG 624 HD3 ARG 624 -24.871 -1.185 6.919 547 HE ARG 624 HE ARG 624 -25.306 0.445 5.176 548 1HH1 ARG 624 HH11 ARG 624 -25.850 -2.806 3.875 549 2HH1 ARG 624 HH12 ARG 624 -26.922 -2.170 2.661 550 1HH2 ARG 624 HH21 ARG 624 -26.568 1.127 3.589 551 2HH2 ARG 624 HH22 ARG 624 -27.297 -0.015 2.483 552 H MET 625 H MET 625 -21.747 2.826 6.889 553 HA MET 625 HA MET 625 -18.882 2.506 7.532 554 1HB MET 625 HB2 MET 625 -19.753 3.827 5.541 555 2HB MET 625 HB3 MET 625 -20.335 5.031 6.708 556 1HG MET 625 HG2 MET 625 -18.174 5.645 5.709 557 2HG MET 625 HG3 MET 625 -18.057 5.464 7.458 558 1HE MET 625 HE1 MET 625 -14.461 4.393 6.105 559 2HE MET 625 HE2 MET 625 -15.522 5.452 5.137 560 3HE MET 625 HE3 MET 625 -15.434 5.654 6.900 561 H GLU 626 H GLU 626 -21.771 4.120 8.980 562 HA GLU 626 HA GLU 626 -20.433 5.378 11.125 563 1HB GLU 626 HB2 GLU 626 -23.179 4.104 11.106 564 2HB GLU 626 HB3 GLU 626 -22.545 5.128 12.392 565 1HG GLU 626 HG2 GLU 626 -22.199 6.975 10.736 566 2HG GLU 626 HG3 GLU 626 -22.992 5.994 9.507 567 H ASN 627 H ASN 627 -21.258 1.944 10.778 568 HA ASN 627 HA ASN 627 -20.392 1.136 13.429 569 1HB ASN 627 HB2 ASN 627 -20.823 -0.302 10.792 570 2HB ASN 627 HB3 ASN 627 -20.013 -1.110 12.129 571 1HD2 ASN 627 HD22 ASN 627 -23.101 0.433 11.205 572 2HD2 ASN 627 HD21 ASN 627 -24.010 -0.363 12.487 573 H LEU 628 H LEU 628 -18.583 1.466 10.337 574 HA LEU 628 HA LEU 628 -16.058 0.609 11.436 575 1HB LEU 628 HB2 LEU 628 -16.632 0.590 9.057 576 2HB LEU 628 HB3 LEU 628 -16.678 2.346 9.008 577 HG LEU 628 HG LEU 628 -14.164 0.902 9.909 578 1HD1 LEU 628 HD11 LEU 628 -14.975 1.498 7.039 579 2HD1 LEU 628 HD12 LEU 628 -13.386 0.905 7.573 580 3HD1 LEU 628 HD13 LEU 628 -14.818 -0.113 7.762 581 1HD2 LEU 628 HD21 LEU 628 -13.052 2.869 8.801 582 2HD2 LEU 628 HD22 LEU 628 -14.660 3.555 8.497 583 3HD2 LEU 628 HD23 LEU 628 -14.065 3.345 10.156 584 H VAL 629 H VAL 629 -17.479 3.828 10.949 585 HA VAL 629 HA VAL 629 -15.499 5.449 12.170 586 HB VAL 629 HB VAL 629 -18.493 5.670 11.901 587 1HG1 VAL 629 HG11 VAL 629 -18.377 8.047 12.450 588 2HG1 VAL 629 HG12 VAL 629 -18.049 7.030 13.850 589 3HG1 VAL 629 HG13 VAL 629 -16.695 7.840 13.013 590 1HG2 VAL 629 HG21 VAL 629 -16.265 7.278 10.602 591 2HG2 VAL 629 HG22 VAL 629 -17.018 5.857 9.856 592 3HG2 VAL 629 HG23 VAL 629 -17.990 7.298 10.187 593 H ALA 630 H ALA 630 -18.240 3.767 13.806 594 HA ALA 630 HA ALA 630 -17.578 4.630 16.445 595 1HB ALA 630 HB1 ALA 630 -19.092 2.802 17.132 596 2HB ALA 630 HB2 ALA 630 -19.783 3.748 15.800 597 3HB ALA 630 HB3 ALA 630 -19.074 2.150 15.481 598 H TYR 631 H TYR 631 -16.621 1.676 14.628 599 HA TYR 631 HA TYR 631 -14.944 0.530 16.648 600 1HB TYR 631 HB2 TYR 631 -15.334 -0.979 15.000 601 2HB TYR 631 HB3 TYR 631 -15.427 0.231 13.738 602 HD1 TYR 631 HD1 TYR 631 -12.932 -1.619 15.867 603 HD2 TYR 631 HD2 TYR 631 -13.674 0.614 12.246 604 HE1 TYR 631 HE1 TYR 631 -10.632 -2.010 15.146 605 HE2 TYR 631 HE2 TYR 631 -11.354 0.165 11.506 606 HH TYR 631 HH TYR 631 -9.008 -1.546 13.564 607 H ALA 632 H ALA 632 -14.114 2.871 14.014 608 HA ALA 632 HA ALA 632 -11.381 3.224 14.737 609 1HB ALA 632 HB1 ALA 632 -13.311 5.187 13.440 610 2HB ALA 632 HB2 ALA 632 -11.539 5.276 13.413 611 3HB ALA 632 HB3 ALA 632 -12.369 3.937 12.595 612 H LYS 633 H LYS 633 -14.322 4.982 15.928 613 HA LYS 633 HA LYS 633 -12.920 6.705 17.771 614 1HB LYS 633 HB2 LYS 633 -15.747 5.576 17.741 615 2HB LYS 633 HB3 LYS 633 -15.168 6.642 19.024 616 1HG LYS 633 HG2 LYS 633 -14.682 8.416 17.456 617 2HG LYS 633 HG3 LYS 633 -15.100 7.387 16.074 618 1HD LYS 633 HD2 LYS 633 -17.432 7.236 16.859 619 2HD LYS 633 HD3 LYS 633 -17.029 8.224 18.283 620 1HE LYS 633 HE2 LYS 633 -16.360 10.095 16.788 621 2HE LYS 633 HE3 LYS 633 -16.767 9.117 15.372 622 1HZ LYS 633 HZ1 LYS 633 -18.586 10.614 15.975 623 2HZ LYS 633 HZ2 LYS 633 -19.081 9.070 16.163 624 3HZ LYS 633 HZ3 LYS 633 -18.697 9.973 17.469 625 H LYS 634 H LYS 634 -14.211 3.411 18.254 626 HA LYS 634 HA LYS 634 -13.454 3.126 20.998 627 1HB LYS 634 HB2 LYS 634 -15.038 1.648 19.786 628 2HB LYS 634 HB3 LYS 634 -13.697 0.963 18.860 629 1HG LYS 634 HG2 LYS 634 -12.668 0.122 20.956 630 2HG LYS 634 HG3 LYS 634 -13.999 0.832 21.892 631 1HD LYS 634 HD2 LYS 634 -15.614 -0.632 20.711 632 2HD LYS 634 HD3 LYS 634 -14.290 -1.321 19.744 633 1HE LYS 634 HE2 LYS 634 -13.192 -2.120 21.831 634 2HE LYS 634 HE3 LYS 634 -14.517 -1.446 22.788 635 1HZ LYS 634 HZ1 LYS 634 -14.843 -3.814 22.381 636 2HZ LYS 634 HZ2 LYS 634 -16.033 -2.980 21.641 637 3HZ LYS 634 HZ3 LYS 634 -14.803 -3.607 20.764 638 H VAL 635 H VAL 635 -11.610 2.218 18.047 639 HA VAL 635 HA VAL 635 -9.220 1.403 19.429 640 HB VAL 635 HB VAL 635 -9.646 2.447 16.603 641 1HG1 VAL 635 HG11 VAL 635 -7.131 1.229 17.831 642 2HG1 VAL 635 HG12 VAL 635 -7.407 1.469 16.091 643 3HG1 VAL 635 HG13 VAL 635 -7.291 2.868 17.156 644 1HG2 VAL 635 HG21 VAL 635 -9.316 0.070 16.007 645 2HG2 VAL 635 HG22 VAL 635 -9.125 -0.350 17.722 646 3HG2 VAL 635 HG23 VAL 635 -10.682 0.244 17.114 647 H GLU 636 H GLU 636 -10.051 4.608 17.962 648 HA GLU 636 HA GLU 636 -7.680 5.922 18.656 649 1HB GLU 636 HB2 GLU 636 -9.465 6.697 17.115 650 2HB GLU 636 HB3 GLU 636 -10.491 7.094 18.470 651 1HG GLU 636 HG2 GLU 636 -7.698 8.260 18.074 652 2HG GLU 636 HG3 GLU 636 -9.105 8.957 17.304 653 H GLY 637 H GLY 637 -10.673 5.675 20.632 654 1HA GLY 637 HA2 GLY 637 -9.737 7.145 22.889 655 2HA GLY 637 HA3 GLY 637 -11.037 5.946 22.875 656 H ASP 638 H ASP 638 -9.223 3.718 21.995 657 HA ASP 638 HA ASP 638 -8.245 2.943 24.648 658 1HB ASP 638 HB2 ASP 638 -9.365 1.372 23.076 659 2HB ASP 638 HB3 ASP 638 -8.021 1.553 21.947 660 H MET 639 H MET 639 -6.815 3.968 21.551 661 HA MET 639 HA MET 639 -4.041 3.616 22.334 662 1HB MET 639 HB2 MET 639 -5.335 5.375 20.213 663 2HB MET 639 HB3 MET 639 -3.600 5.067 20.347 664 1HG MET 639 HG2 MET 639 -5.710 2.919 19.902 665 2HG MET 639 HG3 MET 639 -4.786 3.659 18.617 666 1HE MET 639 HE1 MET 639 -5.238 0.521 19.433 667 2HE MET 639 HE2 MET 639 -4.399 1.045 17.953 668 3HE MET 639 HE3 MET 639 -3.630 -0.127 19.050 669 H TYR 640 H TYR 640 -6.315 6.373 22.422 670 HA TYR 640 HA TYR 640 -4.633 8.354 23.577 671 1HB TYR 640 HB2 TYR 640 -6.845 8.688 22.562 672 2HB TYR 640 HB3 TYR 640 -7.609 7.806 23.859 673 HD1 TYR 640 HD1 TYR 640 -8.162 8.901 25.946 674 HD2 TYR 640 HD2 TYR 640 -5.733 10.909 23.002 675 HE1 TYR 640 HE1 TYR 640 -8.482 11.057 27.150 676 HE2 TYR 640 HE2 TYR 640 -6.018 13.055 24.231 677 HH TYR 640 HH TYR 640 -8.075 13.322 27.144 678 H GLU 641 H GLU 641 -6.805 5.978 25.245 679 HA GLU 641 HA GLU 641 -5.964 6.707 27.880 680 1HB GLU 641 HB2 GLU 641 -8.054 5.489 27.292 681 2HB GLU 641 HB3 GLU 641 -7.100 4.075 26.850 682 1HG GLU 641 HG2 GLU 641 -8.106 3.819 29.061 683 2HG GLU 641 HG3 GLU 641 -6.356 3.798 29.168 684 H SER 642 H SER 642 -4.456 4.576 25.515 685 HA SER 642 HA SER 642 -2.802 3.164 27.477 686 1HB SER 642 HB2 SER 642 -2.618 3.296 24.441 687 2HB SER 642 HB3 SER 642 -1.640 2.246 25.483 688 HG SER 642 HG SER 642 -4.454 2.229 25.113 689 H ALA 643 H ALA 643 -2.303 6.052 25.484 690 HA ALA 643 HA ALA 643 0.537 5.913 25.448 691 1HB ALA 643 HB1 ALA 643 -1.368 8.217 24.918 692 2HB ALA 643 HB2 ALA 643 0.333 8.132 24.420 693 3HB ALA 643 HB3 ALA 643 -0.852 7.000 23.740 694 H ASN 644 H ASN 644 2.068 6.710 26.665 695 HA ASN 644 HA ASN 644 1.701 8.069 29.197 696 1HB ASN 644 HB2 ASN 644 3.574 6.531 28.689 697 2HB ASN 644 HB3 ASN 644 4.132 7.605 27.407 698 1HD2 ASN 644 HD22 ASN 644 5.755 9.008 27.983 699 2HD2 ASN 644 HD21 ASN 644 6.077 9.505 29.635 700 H SER 645 H SER 645 2.016 9.272 25.907 701 HA SER 645 HA SER 645 1.875 12.073 26.814 702 1HB SER 645 HB2 SER 645 3.860 12.768 25.623 703 2HB SER 645 HB3 SER 645 4.315 11.487 26.754 704 HG SER 645 HG SER 645 5.253 11.068 24.756 705 H ARG 646 H ARG 646 1.619 13.590 25.016 706 HA ARG 646 HA ARG 646 -0.247 12.930 22.983 707 1HB ARG 646 HB2 ARG 646 -0.080 15.148 23.705 708 2HB ARG 646 HB3 ARG 646 1.657 15.229 23.500 709 1HG ARG 646 HG2 ARG 646 -0.153 14.958 21.072 710 2HG ARG 646 HG3 ARG 646 0.089 16.512 21.878 711 1HD ARG 646 HD2 ARG 646 2.579 16.222 21.642 712 2HD ARG 646 HD3 ARG 646 2.271 14.795 20.640 713 HE ARG 646 HE ARG 646 0.827 17.067 19.612 714 1HH1 ARG 646 HH11 ARG 646 4.141 15.843 19.748 715 2HH1 ARG 646 HH12 ARG 646 4.537 16.630 18.235 716 1HH2 ARG 646 HH21 ARG 646 1.363 17.965 17.854 717 2HH2 ARG 646 HH22 ARG 646 2.978 17.842 17.138 718 H ASP 647 H ASP 647 3.307 12.958 22.803 719 HA ASP 647 HA ASP 647 3.419 12.461 19.952 720 1HB ASP 647 HB2 ASP 647 5.391 12.369 22.248 721 2HB ASP 647 HB3 ASP 647 5.811 11.647 20.701 722 H GLU 648 H GLU 648 3.608 10.278 22.828 723 HA GLU 648 HA GLU 648 3.908 7.878 21.255 724 1HB GLU 648 HB2 GLU 648 4.507 8.066 23.642 725 2HB GLU 648 HB3 GLU 648 2.796 8.218 24.070 726 1HG GLU 648 HG2 GLU 648 2.333 5.975 23.234 727 2HG GLU 648 HG3 GLU 648 3.953 5.845 22.539 728 H TYR 649 H TYR 649 1.037 9.646 22.423 729 HA TYR 649 HA TYR 649 -0.983 7.819 21.609 730 1HB TYR 649 HB2 TYR 649 -1.650 9.536 23.005 731 2HB TYR 649 HB3 TYR 649 -0.758 10.759 22.141 732 HD1 TYR 649 HD1 TYR 649 -3.645 8.407 21.533 733 HD2 TYR 649 HD2 TYR 649 -1.892 12.296 20.876 734 HE1 TYR 649 HE1 TYR 649 -5.785 9.208 20.526 735 HE2 TYR 649 HE2 TYR 649 -3.994 13.074 19.842 736 HH TYR 649 HH TYR 649 -6.947 11.002 19.733 737 H TYR 650 H TYR 650 0.130 10.723 19.709 738 HA TYR 650 HA TYR 650 -0.955 9.968 17.225 739 1HB TYR 650 HB2 TYR 650 1.603 11.421 18.023 740 2HB TYR 650 HB3 TYR 650 1.326 11.015 16.348 741 HD1 TYR 650 HD1 TYR 650 0.995 13.630 18.568 742 HD2 TYR 650 HD2 TYR 650 -1.170 11.541 15.480 743 HE1 TYR 650 HE1 TYR 650 -0.248 15.718 18.016 744 HE2 TYR 650 HE2 TYR 650 -2.419 13.624 14.945 745 HH TYR 650 HH TYR 650 -1.734 16.705 16.642 746 H HIS 651 H HIS 651 2.231 8.871 18.552 747 HA HIS 651 HA HIS 651 2.981 7.378 16.269 748 1HB HIS 651 HB2 HIS 651 4.458 7.984 18.181 749 2HB HIS 651 HB3 HIS 651 3.648 6.772 19.175 750 HD1 HIS 651 HD1 HIS 651 6.069 7.038 16.204 751 HD2 HIS 651 HD2 HIS 651 4.291 4.194 18.748 752 HE1 HIS 651 HE1 HIS 651 7.298 4.842 15.789 753 H LEU 652 H LEU 652 1.087 6.278 19.128 754 HA LEU 652 HA LEU 652 0.671 3.589 18.241 755 1HB LEU 652 HB2 LEU 652 -0.839 5.459 20.106 756 2HB LEU 652 HB3 LEU 652 -1.363 3.814 19.817 757 HG LEU 652 HG LEU 652 1.393 4.492 20.919 758 1HD1 LEU 652 HD11 LEU 652 0.473 3.819 23.098 759 2HD1 LEU 652 HD12 LEU 652 -0.413 5.207 22.449 760 3HD1 LEU 652 HD13 LEU 652 -1.136 3.589 22.367 761 1HD2 LEU 652 HD21 LEU 652 1.384 2.125 21.624 762 2HD2 LEU 652 HD22 LEU 652 -0.173 1.882 20.804 763 3HD2 LEU 652 HD23 LEU 652 1.300 2.272 19.869 764 H LEU 653 H LEU 653 -1.366 6.527 17.710 765 HA LEU 653 HA LEU 653 -3.394 5.204 16.161 766 1HB LEU 653 HB2 LEU 653 -2.351 8.069 15.961 767 2HB LEU 653 HB3 LEU 653 -3.783 7.457 15.159 768 HG LEU 653 HG LEU 653 -3.394 7.869 18.140 769 1HD1 LEU 653 HD11 LEU 653 -3.872 9.875 16.814 770 2HD1 LEU 653 HD12 LEU 653 -5.295 9.086 16.098 771 3HD1 LEU 653 HD13 LEU 653 -5.257 9.451 17.831 772 1HD2 LEU 653 HD21 LEU 653 -5.680 7.143 18.474 773 2HD2 LEU 653 HD22 LEU 653 -5.836 6.693 16.758 774 3HD2 LEU 653 HD23 LEU 653 -4.721 5.812 17.825 775 H ALA 654 H ALA 654 -0.470 6.966 15.041 776 HA ALA 654 HA ALA 654 -0.948 6.460 12.299 777 1HB ALA 654 HB1 ALA 654 1.318 7.408 12.006 778 2HB ALA 654 HB2 ALA 654 0.391 8.353 13.184 779 3HB ALA 654 HB3 ALA 654 1.636 7.217 13.743 780 H GLU 655 H GLU 655 0.994 4.594 14.678 781 HA GLU 655 HA GLU 655 2.190 2.775 12.811 782 1HB GLU 655 HB2 GLU 655 2.979 3.068 15.122 783 2HB GLU 655 HB3 GLU 655 1.448 2.437 15.750 784 1HG GLU 655 HG2 GLU 655 1.948 0.237 14.665 785 2HG GLU 655 HG3 GLU 655 3.473 0.898 14.067 786 H LYS 656 H LYS 656 -0.941 2.522 14.655 787 HA LYS 656 HA LYS 656 -1.492 -0.058 13.372 788 1HB LYS 656 HB2 LYS 656 -3.106 1.659 15.260 789 2HB LYS 656 HB3 LYS 656 -3.815 0.294 14.382 790 1HG LYS 656 HG2 LYS 656 -3.132 -0.700 16.328 791 2HG LYS 656 HG3 LYS 656 -1.870 -1.147 15.209 792 1HD LYS 656 HD2 LYS 656 -0.488 0.749 16.256 793 2HD LYS 656 HD3 LYS 656 -1.828 0.927 17.423 794 1HE LYS 656 HE2 LYS 656 -1.520 -1.378 18.178 795 2HE LYS 656 HE3 LYS 656 -0.319 -1.677 16.915 796 1HZ LYS 656 HZ1 LYS 656 0.720 -1.225 19.065 797 2HZ LYS 656 HZ2 LYS 656 1.159 -0.089 17.982 798 3HZ LYS 656 HZ3 LYS 656 0.039 0.261 19.135 799 H ILE 657 H ILE 657 -2.246 3.264 12.568 800 HA ILE 657 HA ILE 657 -3.977 2.730 10.332 801 HB ILE 657 HB ILE 657 -2.083 4.934 11.147 802 1HG1 ILE 657 HG12 ILE 657 -4.433 4.521 12.096 803 2HG1 ILE 657 HG13 ILE 657 -4.023 6.153 11.599 804 1HG2 ILE 657 HG21 ILE 657 -3.397 4.811 8.412 805 2HG2 ILE 657 HG22 ILE 657 -2.858 6.319 9.193 806 3HG2 ILE 657 HG23 ILE 657 -1.691 5.056 8.810 807 1HD1 ILE 657 HD11 ILE 657 -5.412 6.103 9.761 808 2HD1 ILE 657 HD12 ILE 657 -5.395 4.321 9.609 809 3HD1 ILE 657 HD13 ILE 657 -6.318 5.088 10.888 810 H TYR 658 H TYR 658 -0.400 3.069 10.495 811 HA TYR 658 HA TYR 658 0.177 2.271 7.840 812 1HB TYR 658 HB2 TYR 658 1.773 3.336 9.347 813 2HB TYR 658 HB3 TYR 658 1.749 1.959 10.413 814 HD1 TYR 658 HD1 TYR 658 2.901 3.152 7.038 815 HD2 TYR 658 HD2 TYR 658 3.021 -0.038 9.975 816 HE1 TYR 658 HE1 TYR 658 4.948 2.264 6.026 817 HE2 TYR 658 HE2 TYR 658 5.083 -0.926 8.917 818 HH TYR 658 HH TYR 658 6.668 -0.620 7.281 819 H LYS 659 H LYS 659 -0.034 0.154 10.786 820 HA LYS 659 HA LYS 659 0.334 -2.319 9.511 821 1HB LYS 659 HB2 LYS 659 0.238 -2.060 11.910 822 2HB LYS 659 HB3 LYS 659 -1.461 -1.611 11.867 823 1HG LYS 659 HG2 LYS 659 -0.583 -4.273 10.751 824 2HG LYS 659 HG3 LYS 659 -0.709 -4.032 12.505 825 1HD LYS 659 HD2 LYS 659 -3.142 -3.181 11.956 826 2HD LYS 659 HD3 LYS 659 -2.929 -4.072 10.446 827 1HE LYS 659 HE2 LYS 659 -2.745 -5.184 13.274 828 2HE LYS 659 HE3 LYS 659 -4.080 -5.409 12.140 829 1HZ LYS 659 HZ1 LYS 659 -1.325 -6.435 11.705 830 2HZ LYS 659 HZ2 LYS 659 -2.608 -7.331 12.170 831 3HZ LYS 659 HZ3 LYS 659 -2.589 -6.665 10.686 832 H ILE 660 H ILE 660 -2.867 -0.753 10.004 833 HA ILE 660 HA ILE 660 -4.424 -2.692 8.608 834 HB ILE 660 HB ILE 660 -4.820 0.247 9.195 835 1HG1 ILE 660 HG12 ILE 660 -6.130 -2.311 10.240 836 2HG1 ILE 660 HG13 ILE 660 -4.792 -1.496 11.023 837 1HG2 ILE 660 HG21 ILE 660 -7.230 -0.084 8.507 838 2HG2 ILE 660 HG22 ILE 660 -6.106 -0.046 7.168 839 3HG2 ILE 660 HG23 ILE 660 -6.765 -1.600 7.721 840 1HD1 ILE 660 HD11 ILE 660 -6.740 -0.870 12.199 841 2HD1 ILE 660 HD12 ILE 660 -6.224 0.555 11.281 842 3HD1 ILE 660 HD13 ILE 660 -7.607 -0.429 10.721 843 H GLN 661 H GLN 661 -2.691 0.154 7.359 844 HA GLN 661 HA GLN 661 -3.817 -0.159 4.692 845 1HB GLN 661 HB2 GLN 661 -3.160 2.011 5.716 846 2HB GLN 661 HB3 GLN 661 -1.470 1.515 5.672 847 1HG GLN 661 HG2 GLN 661 -2.025 3.021 3.834 848 2HG GLN 661 HG3 GLN 661 -1.515 1.423 3.237 849 1HE2 GLN 661 HE22 GLN 661 -4.844 2.583 4.331 850 2HE2 GLN 661 HE21 GLN 661 -5.548 2.154 2.792 851 H LYS 662 H LYS 662 -0.564 -0.781 6.053 852 HA LYS 662 HA LYS 662 0.676 -1.898 3.730 853 1HB LYS 662 HB2 LYS 662 1.192 -2.262 6.710 854 2HB LYS 662 HB3 LYS 662 2.264 -2.878 5.482 855 1HG LYS 662 HG2 LYS 662 1.599 0.053 5.917 856 2HG LYS 662 HG3 LYS 662 3.051 -0.784 6.434 857 1HD LYS 662 HD2 LYS 662 2.194 -0.104 3.608 858 2HD LYS 662 HD3 LYS 662 3.540 0.552 4.501 859 1HE LYS 662 HE2 LYS 662 3.313 -2.336 3.543 860 2HE LYS 662 HE3 LYS 662 4.243 -1.062 2.759 861 1HZ LYS 662 HZ1 LYS 662 4.772 -2.159 5.469 862 2HZ LYS 662 HZ2 LYS 662 5.700 -2.363 4.146 863 3HZ LYS 662 HZ3 LYS 662 5.577 -0.887 4.839 864 H GLU 663 H GLU 663 -1.364 -3.390 6.195 865 HA GLU 663 HA GLU 663 -1.002 -6.108 5.200 866 1HB GLU 663 HB2 GLU 663 -1.725 -5.570 7.489 867 2HB GLU 663 HB3 GLU 663 -3.239 -4.885 6.872 868 1HG GLU 663 HG2 GLU 663 -3.896 -7.068 5.976 869 2HG GLU 663 HG3 GLU 663 -2.343 -7.770 6.453 870 H LEU 664 H LEU 664 -3.701 -3.701 4.788 871 HA LEU 664 HA LEU 664 -5.198 -5.369 3.043 872 1HB LEU 664 HB2 LEU 664 -5.236 -2.477 3.829 873 2HB LEU 664 HB3 LEU 664 -6.099 -2.926 2.375 874 HG LEU 664 HG LEU 664 -7.526 -4.463 3.486 875 1HD1 LEU 664 HD11 LEU 664 -7.620 -4.830 5.893 876 2HD1 LEU 664 HD12 LEU 664 -6.088 -5.449 5.250 877 3HD1 LEU 664 HD13 LEU 664 -6.135 -3.906 6.136 878 1HD2 LEU 664 HD21 LEU 664 -7.215 -1.878 5.061 879 2HD2 LEU 664 HD22 LEU 664 -8.154 -2.119 3.567 880 3HD2 LEU 664 HD23 LEU 664 -8.639 -2.930 5.073 881 H GLU 665 H GLU 665 -2.710 -2.892 2.122 882 HA GLU 665 HA GLU 665 -3.145 -3.201 -0.683 883 1HB GLU 665 HB2 GLU 665 -1.041 -2.139 -1.011 884 2HB GLU 665 HB3 GLU 665 -1.850 -1.385 0.360 885 1HG GLU 665 HG2 GLU 665 -0.429 -2.872 1.870 886 2HG GLU 665 HG3 GLU 665 0.471 -3.368 0.436 887 H GLU 666 H GLU 666 -1.985 -5.613 1.428 888 HA GLU 666 HA GLU 666 -0.905 -7.195 -0.878 889 1HB GLU 666 HB2 GLU 666 0.630 -6.810 1.099 890 2HB GLU 666 HB3 GLU 666 -0.525 -7.686 2.098 891 1HG GLU 666 HG2 GLU 666 1.260 -9.177 1.469 892 2HG GLU 666 HG3 GLU 666 -0.221 -9.710 0.689 893 H LYS 667 H LYS 667 -3.050 -7.421 1.975 894 HA LYS 667 HA LYS 667 -4.216 -9.963 1.286 895 1HB LYS 667 HB2 LYS 667 -5.229 -7.685 3.038 896 2HB LYS 667 HB3 LYS 667 -6.018 -9.252 2.918 897 1HG LYS 667 HG2 LYS 667 -3.199 -8.770 3.964 898 2HG LYS 667 HG3 LYS 667 -4.646 -9.152 4.904 899 1HD LYS 667 HD2 LYS 667 -4.796 -11.336 3.585 900 2HD LYS 667 HD3 LYS 667 -3.181 -10.967 2.944 901 1HE LYS 667 HE2 LYS 667 -2.273 -10.838 5.237 902 2HE LYS 667 HE3 LYS 667 -3.876 -11.172 5.905 903 1HZ LYS 667 HZ1 LYS 667 -3.816 -13.344 4.799 904 2HZ LYS 667 HZ2 LYS 667 -2.334 -13.040 4.180 905 3HZ LYS 667 HZ3 LYS 667 -2.532 -13.190 5.792 906 H ARG 668 H ARG 668 -4.691 -7.060 -0.350 907 HA ARG 668 HA ARG 668 -7.143 -8.158 -1.710 908 1HB ARG 668 HB2 ARG 668 -6.029 -5.331 -1.749 909 2HB ARG 668 HB3 ARG 668 -7.509 -5.863 -2.532 910 1HG ARG 668 HG2 ARG 668 -7.081 -5.850 0.494 911 2HG ARG 668 HG3 ARG 668 -7.849 -4.577 -0.437 912 1HD ARG 668 HD2 ARG 668 -9.552 -5.855 0.570 913 2HD ARG 668 HD3 ARG 668 -9.612 -6.166 -1.167 914 HE ARG 668 HE ARG 668 -8.053 -8.100 0.425 915 1HH1 ARG 668 HH11 ARG 668 -11.289 -7.599 -0.820 916 2HH1 ARG 668 HH12 ARG 668 -11.494 -9.307 -1.143 917 1HH2 ARG 668 HH21 ARG 668 -8.374 -10.159 0.057 918 2HH2 ARG 668 HH22 ARG 668 -9.911 -10.750 -0.542 919 H ARG 669 H ARG 669 -3.973 -8.451 -2.079 920 HA ARG 669 HA ARG 669 -4.193 -8.799 -5.054 921 1HB ARG 669 HB2 ARG 669 -1.794 -7.747 -3.491 922 2HB ARG 669 HB3 ARG 669 -1.803 -8.149 -5.214 923 1HG ARG 669 HG2 ARG 669 -3.565 -6.427 -5.605 924 2HG ARG 669 HG3 ARG 669 -3.490 -5.980 -3.888 925 1HD ARG 669 HD2 ARG 669 -1.085 -5.422 -4.153 926 2HD ARG 669 HD3 ARG 669 -1.209 -5.780 -5.888 927 HE ARG 669 HE ARG 669 -3.248 -3.931 -5.321 928 1HH1 ARG 669 HH11 ARG 669 0.249 -3.867 -5.210 929 2HH1 ARG 669 HH12 ARG 669 0.319 -2.146 -5.478 930 1HH2 ARG 669 HH21 ARG 669 -3.094 -1.739 -5.631 931 2HH2 ARG 669 HH22 ARG 669 -1.534 -0.975 -5.692 932 H SER 670 H SER 670 -3.331 -10.209 -2.020 933 HA SER 670 HA SER 670 -1.676 -12.340 -2.803 934 1HB SER 670 HB2 SER 670 -2.444 -13.340 -0.660 935 2HB SER 670 HB3 SER 670 -1.974 -11.643 -0.513 936 HG SER 670 HG SER 670 -4.555 -12.792 -0.413 937 H ARG 671 H ARG 671 -5.055 -11.962 -3.482 938 HA ARG 671 HA ARG 671 -5.680 -14.778 -3.870 939 1HB ARG 671 HB2 ARG 671 -7.415 -13.115 -3.362 940 2HB ARG 671 HB3 ARG 671 -7.077 -12.261 -4.865 941 1HG ARG 671 HG2 ARG 671 -9.102 -13.639 -5.028 942 2HG ARG 671 HG3 ARG 671 -7.884 -14.173 -6.181 943 1HD ARG 671 HD2 ARG 671 -7.265 -16.047 -4.680 944 2HD ARG 671 HD3 ARG 671 -8.449 -15.509 -3.492 945 HE ARG 671 HE ARG 671 -8.932 -16.843 -6.093 946 1HH1 ARG 671 HH11 ARG 671 -10.498 -15.306 -3.356 947 2HH1 ARG 671 HH12 ARG 671 -12.040 -16.030 -3.726 948 1HH2 ARG 671 HH21 ARG 671 -10.916 -17.724 -6.498 949 2HH2 ARG 671 HH22 ARG 671 -12.264 -17.359 -5.461 950 H LEU 672 H LEU 672 -3.991 -15.549 -5.018 951 HA LEU 672 HA LEU 672 -3.909 -15.075 -7.959 952 1HB LEU 672 HB2 LEU 672 -2.223 -13.695 -6.650 953 2HB LEU 672 HB3 LEU 672 -1.453 -15.188 -6.144 954 HG LEU 672 HG LEU 672 -1.779 -14.299 -9.049 955 1HD1 LEU 672 HD11 LEU 672 0.593 -13.637 -8.898 956 2HD1 LEU 672 HD12 LEU 672 -0.398 -12.718 -7.758 957 3HD1 LEU 672 HD13 LEU 672 0.611 -14.059 -7.170 958 1HD2 LEU 672 HD21 LEU 672 -0.048 -16.464 -7.770 959 2HD2 LEU 672 HD22 LEU 672 -1.365 -16.702 -8.942 960 3HD2 LEU 672 HD23 LEU 672 0.115 -15.898 -9.447 961 1H SER 839 H1 SER 839 -0.848 -10.296 26.665 962 2H SER 839 H2 SER 839 0.784 -10.169 26.796 963 3H SER 839 H3 SER 839 -0.089 -10.857 28.002 964 HA SER 839 HA SER 839 1.074 -12.518 26.761 965 1HB SER 839 HB2 SER 839 -1.937 -12.692 26.407 966 2HB SER 839 HB3 SER 839 -0.778 -14.037 26.378 967 HG SER 839 HG SER 839 -1.733 -13.770 28.445 968 H ASP 840 H ASP 840 -1.666 -11.532 24.575 969 HA ASP 840 HA ASP 840 0.200 -11.284 22.294 970 1HB ASP 840 HB2 ASP 840 -0.392 -13.704 22.463 971 2HB ASP 840 HB3 ASP 840 -2.103 -13.281 22.408 972 H ALA 841 H ALA 841 -0.802 -10.282 20.431 973 HA ALA 841 HA ALA 841 -3.491 -9.116 20.676 974 1HB ALA 841 HB1 ALA 841 -0.985 -7.372 20.513 975 2HB ALA 841 HB2 ALA 841 -2.665 -6.798 20.454 976 3HB ALA 841 HB3 ALA 841 -2.038 -7.533 21.937 977 H GLY 842 H GLY 842 -4.052 -7.832 18.712 978 1HA GLY 842 HA2 GLY 842 -2.778 -7.552 16.332 979 2HA GLY 842 HA3 GLY 842 -3.233 -9.257 16.262 980 H ASN 843 H ASN 843 -5.782 -8.612 17.800 981 HA ASN 843 HA ASN 843 -7.510 -8.260 15.553 982 1HB ASN 843 HB2 ASN 843 -7.843 -9.730 17.600 983 2HB ASN 843 HB3 ASN 843 -8.207 -8.267 18.518 984 1HD2 ASN 843 HD21 ASN 843 -10.414 -8.531 18.920 985 2HD2 ASN 843 HD22 ASN 843 -11.597 -8.805 17.650 986 H ILE 844 H ILE 844 -5.896 -5.844 15.961 987 HA ILE 844 HA ILE 844 -7.629 -3.737 16.990 988 HB ILE 844 HB ILE 844 -5.074 -3.397 15.383 989 1HG1 ILE 844 HG12 ILE 844 -5.453 -3.671 18.406 990 2HG1 ILE 844 HG13 ILE 844 -4.665 -4.848 17.355 991 1HG2 ILE 844 HG21 ILE 844 -6.197 -1.285 15.492 992 2HG2 ILE 844 HG22 ILE 844 -6.739 -1.559 17.166 993 3HG2 ILE 844 HG23 ILE 844 -5.059 -1.190 16.804 994 1HD1 ILE 844 HD11 ILE 844 -2.953 -3.082 16.762 995 2HD1 ILE 844 HD12 ILE 844 -3.610 -2.137 18.124 996 3HD1 ILE 844 HD13 ILE 844 -2.915 -3.732 18.417 997 H LEU 845 H LEU 845 -7.782 -5.516 14.206 998 HA LEU 845 HA LEU 845 -9.739 -3.623 13.021 999 1HB LEU 845 HB2 LEU 845 -7.841 -3.403 11.606 1000 2HB LEU 845 HB3 LEU 845 -7.593 -5.143 11.521 1001 HG LEU 845 HG LEU 845 -9.527 -5.448 10.130 1002 1HD1 LEU 845 HD11 LEU 845 -11.136 -3.811 10.983 1003 2HD1 LEU 845 HD12 LEU 845 -10.095 -2.473 10.444 1004 3HD1 LEU 845 HD13 LEU 845 -10.873 -3.537 9.251 1005 1HD2 LEU 845 HD21 LEU 845 -7.417 -4.696 9.067 1006 2HD2 LEU 845 HD22 LEU 845 -8.862 -4.248 8.148 1007 3HD2 LEU 845 HD23 LEU 845 -8.027 -3.023 9.121 1008 HA PRO 846 HA PRO 846 -11.684 -7.511 14.675 1009 1HB PRO 846 HB2 PRO 846 -13.830 -5.371 14.363 1010 2HB PRO 846 HB3 PRO 846 -13.752 -6.698 15.583 1011 1HG PRO 846 HG2 PRO 846 -12.940 -4.266 16.275 1012 2HG PRO 846 HG3 PRO 846 -11.813 -5.634 16.607 1013 1HD PRO 846 HD2 PRO 846 -11.877 -3.793 14.193 1014 2HD PRO 846 HD3 PRO 846 -10.491 -4.161 15.272 1015 H SER 847 H SER 847 -12.685 -9.114 13.566 1016 HA SER 847 HA SER 847 -12.579 -9.187 10.805 1017 1HB SER 847 HB2 SER 847 -13.845 -11.323 10.992 1018 2HB SER 847 HB3 SER 847 -12.474 -11.178 12.104 1019 HG SER 847 HG SER 847 -14.356 -11.984 13.153 1020 H ASP 848 H ASP 848 -15.493 -8.470 12.730 1021 HA ASP 848 HA ASP 848 -17.367 -8.611 10.591 1022 1HB ASP 848 HB2 ASP 848 -17.874 -8.648 13.041 1023 2HB ASP 848 HB3 ASP 848 -17.497 -6.927 13.123 1024 H ILE 849 H ILE 849 -15.373 -5.859 11.703 1025 HA ILE 849 HA ILE 849 -16.512 -4.043 9.651 1026 HB ILE 849 HB ILE 849 -14.334 -3.716 11.748 1027 1HG1 ILE 849 HG12 ILE 849 -15.717 -1.705 12.329 1028 2HG1 ILE 849 HG13 ILE 849 -16.887 -2.147 11.097 1029 1HG2 ILE 849 HG21 ILE 849 -14.002 -1.400 10.854 1030 2HG2 ILE 849 HG22 ILE 849 -13.396 -2.634 9.772 1031 3HG2 ILE 849 HG23 ILE 849 -14.952 -1.841 9.424 1032 1HD1 ILE 849 HD11 ILE 849 -17.557 -2.702 13.438 1033 2HD1 ILE 849 HD12 ILE 849 -17.547 -4.116 12.378 1034 3HD1 ILE 849 HD13 ILE 849 -16.208 -3.857 13.529 1035 H MET 850 H MET 850 -13.533 -5.980 10.191 1036 HA MET 850 HA MET 850 -12.057 -5.133 7.984 1037 1HB MET 850 HB2 MET 850 -11.293 -6.701 9.796 1038 2HB MET 850 HB3 MET 850 -12.203 -7.992 9.008 1039 1HG MET 850 HG2 MET 850 -10.854 -7.831 7.006 1040 2HG MET 850 HG3 MET 850 -10.049 -6.380 7.588 1041 1HE MET 850 HE1 MET 850 -9.280 -10.716 9.037 1042 2HE MET 850 HE2 MET 850 -10.818 -9.911 9.401 1043 3HE MET 850 HE3 MET 850 -10.365 -10.242 7.712 1044 H ASP 851 H ASP 851 -14.470 -7.820 8.003 1045 HA ASP 851 HA ASP 851 -14.206 -8.618 5.332 1046 1HB ASP 851 HB2 ASP 851 -15.468 -9.825 7.052 1047 2HB ASP 851 HB3 ASP 851 -16.659 -8.528 7.146 1048 H PHE 852 H PHE 852 -16.193 -5.911 6.582 1049 HA PHE 852 HA PHE 852 -17.361 -5.156 4.047 1050 1HB PHE 852 HB2 PHE 852 -18.338 -4.458 6.142 1051 2HB PHE 852 HB3 PHE 852 -16.863 -3.674 6.651 1052 HD1 PHE 852 HD1 PHE 852 -19.377 -3.494 3.840 1053 HD2 PHE 852 HD2 PHE 852 -16.721 -1.358 6.485 1054 HE1 PHE 852 HE1 PHE 852 -20.279 -1.336 3.010 1055 HE2 PHE 852 HE2 PHE 852 -17.628 0.798 5.656 1056 HZ PHE 852 HZ PHE 852 -19.414 0.815 3.922 1057 H VAL 853 H VAL 853 -14.449 -3.899 5.822 1058 HA VAL 853 HA VAL 853 -13.604 -2.109 3.781 1059 HB VAL 853 HB VAL 853 -11.712 -3.627 5.649 1060 1HG1 VAL 853 HG11 VAL 853 -10.559 -2.397 3.840 1061 2HG1 VAL 853 HG12 VAL 853 -11.509 -0.946 4.178 1062 3HG1 VAL 853 HG13 VAL 853 -10.343 -1.534 5.375 1063 1HG2 VAL 853 HG21 VAL 853 -13.409 -2.480 7.010 1064 2HG2 VAL 853 HG22 VAL 853 -11.835 -1.701 7.127 1065 3HG2 VAL 853 HG23 VAL 853 -13.117 -0.980 6.113 1066 H LEU 854 H LEU 854 -12.820 -5.601 4.152 1067 HA LEU 854 HA LEU 854 -11.012 -5.704 1.962 1068 1HB LEU 854 HB2 LEU 854 -12.733 -7.987 3.014 1069 2HB LEU 854 HB3 LEU 854 -11.345 -8.125 1.957 1070 HG LEU 854 HG LEU 854 -11.428 -7.618 4.897 1071 1HD1 LEU 854 HD11 LEU 854 -9.774 -9.377 4.947 1072 2HD1 LEU 854 HD12 LEU 854 -11.192 -9.886 4.015 1073 3HD1 LEU 854 HD13 LEU 854 -9.703 -9.402 3.170 1074 1HD2 LEU 854 HD21 LEU 854 -9.053 -7.065 4.965 1075 2HD2 LEU 854 HD22 LEU 854 -9.015 -6.948 3.183 1076 3HD2 LEU 854 HD23 LEU 854 -9.969 -5.799 4.159 1077 H LYS 855 H LYS 855 -14.543 -6.276 2.030 1078 HA LYS 855 HA LYS 855 -14.772 -7.072 -0.754 1079 1HB LYS 855 HB2 LYS 855 -16.710 -6.100 1.370 1080 2HB LYS 855 HB3 LYS 855 -17.242 -6.429 -0.281 1081 1HG LYS 855 HG2 LYS 855 -16.560 -8.730 -0.177 1082 2HG LYS 855 HG3 LYS 855 -15.721 -8.491 1.364 1083 1HD LYS 855 HD2 LYS 855 -17.826 -7.987 2.488 1084 2HD LYS 855 HD3 LYS 855 -18.731 -8.175 0.966 1085 1HE LYS 855 HE2 LYS 855 -18.141 -10.520 0.815 1086 2HE LYS 855 HE3 LYS 855 -16.976 -10.370 2.140 1087 1HZ LYS 855 HZ1 LYS 855 -19.065 -11.355 2.891 1088 2HZ LYS 855 HZ2 LYS 855 -18.745 -9.955 3.667 1089 3HZ LYS 855 HZ3 LYS 855 -19.899 -10.002 2.487 1090 H ASN 856 H ASN 856 -15.067 -3.942 0.887 1091 HA ASN 856 HA ASN 856 -16.295 -2.547 -1.230 1092 1HB ASN 856 HB2 ASN 856 -14.545 -1.560 1.054 1093 2HB ASN 856 HB3 ASN 856 -15.496 -0.530 -0.016 1094 1HD2 ASN 856 HD22 ASN 856 -15.874 -0.437 2.711 1095 2HD2 ASN 856 HD21 ASN 856 -17.438 -1.152 3.090 1096 H THR 857 H THR 857 -12.739 -2.526 -0.439 1097 HA THR 857 HA THR 857 -12.261 -0.520 -2.398 1098 HB THR 857 HB THR 857 -9.855 -0.891 -2.017 1099 HG1 THR 857 HG1 THR 857 -9.294 -2.281 -0.321 1100 1HG2 THR 857 HG21 THR 857 -9.865 -0.126 0.297 1101 2HG2 THR 857 HG22 THR 857 -11.210 0.621 -0.578 1102 3HG2 THR 857 HG23 THR 857 -11.517 -0.734 0.536 1103 HA PRO 858 HA PRO 858 -10.658 -3.844 -5.482 1104 1HB PRO 858 HB2 PRO 858 -12.695 -6.007 -4.972 1105 2HB PRO 858 HB3 PRO 858 -11.007 -6.147 -5.547 1106 1HG PRO 858 HG2 PRO 858 -11.652 -6.730 -2.982 1107 2HG PRO 858 HG3 PRO 858 -10.153 -5.814 -3.359 1108 1HD PRO 858 HD2 PRO 858 -12.830 -4.739 -2.447 1109 2HD PRO 858 HD3 PRO 858 -11.205 -4.350 -1.844 1110 H SER 859 H SER 859 -14.176 -4.016 -4.656 1111 HA SER 859 HA SER 859 -14.993 -2.621 -7.093 1112 1HB SER 859 HB2 SER 859 -16.127 -4.564 -8.141 1113 2HB SER 859 HB3 SER 859 -14.371 -4.743 -8.111 1114 HG SER 859 HG SER 859 -15.418 -6.662 -7.447 1115 H MET 860 H MET 860 -16.037 -4.401 -4.171 1116 HA MET 860 HA MET 860 -18.840 -4.154 -4.866 1117 1HB MET 860 HB2 MET 860 -17.700 -5.106 -2.229 1118 2HB MET 860 HB3 MET 860 -19.316 -5.360 -2.873 1119 1HG MET 860 HG2 MET 860 -18.366 -6.639 -4.776 1120 2HG MET 860 HG3 MET 860 -16.755 -6.468 -4.074 1121 1HE MET 860 HE1 MET 860 -16.456 -9.093 -4.309 1122 2HE MET 860 HE2 MET 860 -17.602 -10.275 -3.637 1123 3HE MET 860 HE3 MET 860 -18.103 -9.212 -4.970 1124 H GLN 861 H GLN 861 -18.264 -1.692 -5.050 1125 HA GLN 861 HA GLN 861 -18.240 0.081 -2.873 1126 1HB GLN 861 HB2 GLN 861 -19.338 0.302 -5.704 1127 2HB GLN 861 HB3 GLN 861 -19.312 1.672 -4.598 1128 1HG GLN 861 HG2 GLN 861 -16.861 1.522 -4.395 1129 2HG GLN 861 HG3 GLN 861 -16.842 0.111 -5.455 1130 1HE2 GLN 861 HE22 GLN 861 -18.420 3.469 -5.653 1131 2HE2 GLN 861 HE21 GLN 861 -17.770 3.722 -7.259 1132 H ALA 862 H ALA 862 -20.954 -1.832 -3.840 1133 HA ALA 862 HA ALA 862 -22.867 -0.102 -2.331 1134 1HB ALA 862 HB1 ALA 862 -23.323 -1.610 -4.940 1135 2HB ALA 862 HB2 ALA 862 -24.500 -0.583 -4.090 1136 3HB ALA 862 HB3 ALA 862 -23.043 0.140 -4.791 1137 H LEU 863 H LEU 863 -21.407 -2.421 -1.270 1138 HA LEU 863 HA LEU 863 -23.731 -4.110 -0.461 1139 1HB LEU 863 HB2 LEU 863 -22.392 -5.268 -2.223 1140 2HB LEU 863 HB3 LEU 863 -20.945 -5.059 -1.237 1141 HG LEU 863 HG LEU 863 -21.953 -6.518 0.530 1142 1HD1 LEU 863 HD11 LEU 863 -24.137 -6.985 -1.550 1143 2HD1 LEU 863 HD12 LEU 863 -23.907 -7.923 -0.058 1144 3HD1 LEU 863 HD13 LEU 863 -24.364 -6.221 0.038 1145 1HD2 LEU 863 HD21 LEU 863 -20.442 -7.441 -1.156 1146 2HD2 LEU 863 HD22 LEU 863 -21.682 -8.621 -0.708 1147 3HD2 LEU 863 HD23 LEU 863 -21.810 -7.743 -2.250 1148 H GLY 864 H GLY 864 -23.808 -4.649 1.664 1149 1HA GLY 864 HA2 GLY 864 -21.819 -5.243 3.416 1150 2HA GLY 864 HA3 GLY 864 -21.961 -3.497 3.620 1151 H GLU 865 H GLU 865 -22.435 -5.078 5.768 1152 HA GLU 865 HA GLU 865 -25.347 -4.836 6.305 1153 1HB GLU 865 HB2 GLU 865 -24.822 -7.103 5.325 1154 2HB GLU 865 HB3 GLU 865 -23.757 -7.412 6.698 1155 1HG GLU 865 HG2 GLU 865 -25.656 -7.309 8.232 1156 2HG GLU 865 HG3 GLU 865 -26.716 -6.740 6.933 1157 H SER 866 H SER 866 -25.849 -4.879 8.597 1158 HA SER 866 HA SER 866 -23.557 -4.077 10.358 1159 1HB SER 866 HB2 SER 866 -26.459 -3.169 10.474 1160 2HB SER 866 HB3 SER 866 -25.124 -2.545 11.437 1161 HG SER 866 HG SER 866 -24.170 -1.774 9.513 1162 HA PRO 867 HA PRO 867 -24.744 -7.279 13.161 1163 1HB PRO 867 HB2 PRO 867 -24.421 -6.208 15.687 1164 2HB PRO 867 HB3 PRO 867 -23.083 -6.676 14.596 1165 1HG PRO 867 HG2 PRO 867 -24.287 -3.923 14.992 1166 2HG PRO 867 HG3 PRO 867 -22.554 -4.385 14.978 1167 1HD PRO 867 HD2 PRO 867 -23.744 -3.350 12.788 1168 2HD PRO 867 HD3 PRO 867 -22.560 -4.676 12.626 1169 H GLU 868 H GLU 868 -26.670 -4.424 13.114 1170 HA GLU 868 HA GLU 868 -28.919 -5.739 14.562 1171 1HB GLU 868 HB2 GLU 868 -29.952 -3.565 14.612 1172 2HB GLU 868 HB3 GLU 868 -28.319 -3.470 15.261 1173 1HG GLU 868 HG2 GLU 868 -27.500 -2.480 13.152 1174 2HG GLU 868 HG3 GLU 868 -29.094 -2.655 12.420 1175 H SER 869 H SER 869 -27.819 -5.699 11.414 1176 HA SER 869 HA SER 869 -30.290 -5.195 9.926 1177 1HB SER 869 HB2 SER 869 -27.680 -6.535 9.141 1178 2HB SER 869 HB3 SER 869 -28.998 -6.140 8.021 1179 HG SER 869 HG SER 869 -28.288 -4.062 9.671 Start of MODEL 15 1 1H LYS 291 H1 LYS 291 10.361 0.109 -1.974 2 2H LYS 291 H2 LYS 291 11.065 -0.326 -0.570 3 3H LYS 291 H3 LYS 291 9.668 -1.045 -1.044 4 HA LYS 291 HA LYS 291 8.497 1.054 -0.880 5 1HB LYS 291 HB2 LYS 291 8.237 1.186 1.488 6 2HB LYS 291 HB3 LYS 291 8.332 -0.495 0.965 7 1HG LYS 291 HG2 LYS 291 10.783 -0.470 1.608 8 2HG LYS 291 HG3 LYS 291 10.536 1.137 2.314 9 1HD LYS 291 HD2 LYS 291 8.994 0.252 3.972 10 2HD LYS 291 HD3 LYS 291 8.927 -1.325 3.130 11 1HE LYS 291 HE2 LYS 291 11.393 -1.478 3.350 12 2HE LYS 291 HE3 LYS 291 11.392 -0.053 4.402 13 1HZ LYS 291 HZ1 LYS 291 9.973 -2.603 5.001 14 2HZ LYS 291 HZ2 LYS 291 11.340 -2.092 5.729 15 3HZ LYS 291 HZ3 LYS 291 9.948 -1.274 5.955 16 H GLU 292 H GLU 292 8.455 3.280 -0.016 17 HA GLU 292 HA GLU 292 10.993 4.610 0.467 18 1HB GLU 292 HB2 GLU 292 10.517 4.244 -2.180 19 2HB GLU 292 HB3 GLU 292 9.457 5.623 -1.954 20 1HG GLU 292 HG2 GLU 292 11.524 6.860 -1.007 21 2HG GLU 292 HG3 GLU 292 12.470 5.457 -1.484 22 H LYS 293 H LYS 293 10.075 7.250 -0.243 23 HA LYS 293 HA LYS 293 9.192 8.255 2.113 24 1HB LYS 293 HB2 LYS 293 8.569 10.301 0.868 25 2HB LYS 293 HB3 LYS 293 10.137 9.634 0.419 26 1HG LYS 293 HG2 LYS 293 9.168 8.642 -1.627 27 2HG LYS 293 HG3 LYS 293 7.566 9.252 -1.186 28 1HD LYS 293 HD2 LYS 293 8.318 11.550 -1.370 29 2HD LYS 293 HD3 LYS 293 9.998 11.055 -1.624 30 1HE LYS 293 HE2 LYS 293 7.747 10.181 -3.484 31 2HE LYS 293 HE3 LYS 293 8.568 11.731 -3.687 32 1HZ LYS 293 HZ1 LYS 293 9.577 9.960 -5.037 33 2HZ LYS 293 HZ2 LYS 293 10.654 10.578 -3.983 34 3HZ LYS 293 HZ3 LYS 293 10.002 9.110 -3.707 35 H ARG 294 H ARG 294 6.881 6.803 -0.067 36 HA ARG 294 HA ARG 294 4.453 7.789 1.024 37 1HB ARG 294 HB2 ARG 294 4.635 6.318 -0.924 38 2HB ARG 294 HB3 ARG 294 5.151 4.966 0.080 39 1HG ARG 294 HG2 ARG 294 2.510 6.347 0.666 40 2HG ARG 294 HG3 ARG 294 2.643 5.283 -0.726 41 1HD ARG 294 HD2 ARG 294 3.384 3.414 0.746 42 2HD ARG 294 HD3 ARG 294 3.176 4.436 2.163 43 HE ARG 294 HE ARG 294 0.813 4.543 1.786 44 1HH1 ARG 294 HH21 ARG 294 2.309 2.140 -0.338 45 2HH1 ARG 294 HH22 ARG 294 0.748 1.395 -0.654 46 1HH2 ARG 294 HH11 ARG 294 -1.100 3.512 1.220 47 2HH2 ARG 294 HH12 ARG 294 -1.001 2.116 0.146 48 H ILE 295 H ILE 295 6.766 5.504 2.382 49 HA ILE 295 HA ILE 295 5.271 4.474 4.577 50 HB ILE 295 HB ILE 295 8.245 4.954 4.091 51 1HG1 ILE 295 HG12 ILE 295 7.116 3.349 2.574 52 2HG1 ILE 295 HG13 ILE 295 8.382 2.634 3.550 53 1HG2 ILE 295 HG21 ILE 295 6.983 3.495 6.440 54 2HG2 ILE 295 HG22 ILE 295 8.669 3.284 5.923 55 3HG2 ILE 295 HG23 ILE 295 8.108 4.861 6.476 56 1HD1 ILE 295 HD11 ILE 295 6.794 1.489 4.920 57 2HD1 ILE 295 HD12 ILE 295 5.414 2.402 4.255 58 3HD1 ILE 295 HD13 ILE 295 6.314 1.251 3.233 59 H LYS 296 H LYS 296 7.491 7.315 4.512 60 HA LYS 296 HA LYS 296 6.673 8.102 7.197 61 1HB LYS 296 HB2 LYS 296 8.935 8.630 6.197 62 2HB LYS 296 HB3 LYS 296 8.142 9.750 5.089 63 1HG LYS 296 HG2 LYS 296 9.109 10.973 6.951 64 2HG LYS 296 HG3 LYS 296 7.353 11.106 7.033 65 1HD LYS 296 HD2 LYS 296 7.312 9.331 8.797 66 2HD LYS 296 HD3 LYS 296 9.079 9.198 8.683 67 1HE LYS 296 HE2 LYS 296 9.250 11.600 9.377 68 2HE LYS 296 HE3 LYS 296 7.484 11.666 9.500 69 1HZ LYS 296 HZ1 LYS 296 8.397 11.210 11.672 70 2HZ LYS 296 HZ2 LYS 296 7.650 9.834 11.167 71 3HZ LYS 296 HZ3 LYS 296 9.275 9.943 11.126 72 H GLU 297 H GLU 297 5.736 9.048 3.917 73 HA GLU 297 HA GLU 297 4.058 11.233 4.436 74 1HB GLU 297 HB2 GLU 297 4.804 10.288 2.205 75 2HB GLU 297 HB3 GLU 297 3.643 9.001 2.432 76 1HG GLU 297 HG2 GLU 297 1.788 10.642 2.434 77 2HG GLU 297 HG3 GLU 297 2.973 11.946 2.284 78 H LEU 298 H LEU 298 3.109 7.744 4.430 79 HA LEU 298 HA LEU 298 0.390 8.100 5.163 80 1HB LEU 298 HB2 LEU 298 1.377 6.011 4.241 81 2HB LEU 298 HB3 LEU 298 2.334 5.797 5.701 82 HG LEU 298 HG LEU 298 0.080 5.714 6.987 83 1HD1 LEU 298 HD11 LEU 298 -1.880 5.005 5.671 84 2HD1 LEU 298 HD12 LEU 298 -1.385 6.641 5.222 85 3HD1 LEU 298 HD13 LEU 298 -0.980 5.272 4.162 86 1HD2 LEU 298 HD21 LEU 298 1.425 3.777 6.638 87 2HD2 LEU 298 HD22 LEU 298 -0.283 3.366 6.417 88 3HD2 LEU 298 HD23 LEU 298 0.773 3.546 4.992 89 H GLU 299 H GLU 299 3.285 7.691 7.220 90 HA GLU 299 HA GLU 299 1.867 7.634 9.715 91 1HB GLU 299 HB2 GLU 299 4.187 6.775 9.272 92 2HB GLU 299 HB3 GLU 299 4.746 8.442 9.099 93 1HG GLU 299 HG2 GLU 299 4.012 8.898 11.450 94 2HG GLU 299 HG3 GLU 299 3.560 7.197 11.612 95 H LEU 300 H LEU 300 3.524 10.236 7.928 96 HA LEU 300 HA LEU 300 3.098 12.424 9.668 97 1HB LEU 300 HB2 LEU 300 4.800 12.229 7.895 98 2HB LEU 300 HB3 LEU 300 3.541 12.222 6.665 99 HG LEU 300 HG LEU 300 2.988 14.584 7.227 100 1HD1 LEU 300 HD11 LEU 300 5.451 14.401 9.027 101 2HD1 LEU 300 HD12 LEU 300 4.595 15.895 8.579 102 3HD1 LEU 300 HD13 LEU 300 3.786 14.680 9.565 103 1HD2 LEU 300 HD21 LEU 300 5.912 14.021 6.576 104 2HD2 LEU 300 HD22 LEU 300 4.561 14.031 5.420 105 3HD2 LEU 300 HD23 LEU 300 5.039 15.531 6.231 106 H LEU 301 H LEU 301 0.863 11.008 7.295 107 HA LEU 301 HA LEU 301 -0.815 13.232 6.884 108 1HB LEU 301 HB2 LEU 301 -1.105 10.253 6.688 109 2HB LEU 301 HB3 LEU 301 -2.592 11.168 6.692 110 HG LEU 301 HG LEU 301 -0.320 11.756 4.752 111 1HD1 LEU 301 HD11 LEU 301 -1.212 9.465 4.419 112 2HD1 LEU 301 HD12 LEU 301 -2.861 10.118 4.328 113 3HD1 LEU 301 HD13 LEU 301 -1.657 10.540 3.086 114 1HD2 LEU 301 HD21 LEU 301 -2.093 12.902 3.468 115 2HD2 LEU 301 HD22 LEU 301 -3.271 12.544 4.748 116 3HD2 LEU 301 HD23 LEU 301 -1.906 13.640 5.058 117 H LEU 302 H LEU 302 -0.872 11.020 9.675 118 HA LEU 302 HA LEU 302 -3.199 12.367 10.892 119 1HB LEU 302 HB2 LEU 302 -1.272 10.190 11.682 120 2HB LEU 302 HB3 LEU 302 -2.134 11.025 12.963 121 HG LEU 302 HG LEU 302 -3.607 9.726 10.687 122 1HD1 LEU 302 HD11 LEU 302 -3.999 7.888 12.384 123 2HD1 LEU 302 HD12 LEU 302 -2.332 8.032 11.793 124 3HD1 LEU 302 HD13 LEU 302 -2.772 8.660 13.414 125 1HD2 LEU 302 HD21 LEU 302 -4.511 10.331 13.531 126 2HD2 LEU 302 HD22 LEU 302 -4.855 11.407 12.157 127 3HD2 LEU 302 HD23 LEU 302 -5.505 9.755 12.187 128 H MET 303 H MET 303 0.287 12.945 10.848 129 HA MET 303 HA MET 303 0.214 14.574 13.286 130 1HB MET 303 HB2 MET 303 2.235 13.340 12.559 131 2HB MET 303 HB3 MET 303 2.349 14.371 11.148 132 1HG MET 303 HG2 MET 303 2.570 16.352 12.674 133 2HG MET 303 HG3 MET 303 2.512 15.258 14.055 134 1HE MET 303 HE1 MET 303 5.905 13.361 13.846 135 2HE MET 303 HE2 MET 303 4.329 13.525 14.653 136 3HE MET 303 HE3 MET 303 4.437 12.781 13.038 137 H SER 304 H SER 304 0.142 15.065 9.789 138 HA SER 304 HA SER 304 0.400 17.825 9.473 139 1HB SER 304 HB2 SER 304 -1.479 15.954 7.974 140 2HB SER 304 HB3 SER 304 -0.965 17.561 7.435 141 HG SER 304 HG SER 304 0.721 15.299 7.897 142 H THR 305 H THR 305 -2.427 16.043 10.622 143 HA THR 305 HA THR 305 -4.469 17.892 10.649 144 HB THR 305 HB THR 305 -3.588 15.850 12.775 145 HG1 THR 305 HG1 THR 305 -5.480 15.880 10.656 146 1HG2 THR 305 HG21 THR 305 -6.189 17.438 12.475 147 2HG2 THR 305 HG22 THR 305 -6.059 15.929 13.410 148 3HG2 THR 305 HG23 THR 305 -5.128 17.359 13.881 149 H GLU 306 H GLU 306 -1.655 17.912 12.907 150 HA GLU 306 HA GLU 306 -2.770 19.975 14.606 151 1HB GLU 306 HB2 GLU 306 0.108 19.083 14.172 152 2HB GLU 306 HB3 GLU 306 -0.433 20.209 15.421 153 1HG GLU 306 HG2 GLU 306 -1.933 18.438 16.342 154 2HG GLU 306 HG3 GLU 306 -1.300 17.298 15.150 155 H ASN 307 H ASN 307 -0.994 20.134 11.548 156 HA ASN 307 HA ASN 307 -0.681 23.073 11.702 157 1HB ASN 307 HB2 ASN 307 1.013 21.649 10.533 158 2HB ASN 307 HB3 ASN 307 -0.220 21.162 9.365 159 1HD2 ASN 307 HD22 ASN 307 -0.792 22.667 7.681 160 2HD2 ASN 307 HD21 ASN 307 -0.015 24.229 7.567 161 H GLU 308 H GLU 308 -2.773 20.664 10.045 162 HA GLU 308 HA GLU 308 -4.236 22.434 8.399 163 1HB GLU 308 HB2 GLU 308 -5.074 19.835 9.745 164 2HB GLU 308 HB3 GLU 308 -6.066 20.686 8.562 165 1HG GLU 308 HG2 GLU 308 -4.311 20.501 6.874 166 2HG GLU 308 HG3 GLU 308 -3.239 19.700 8.002 167 H LEU 309 H LEU 309 -4.922 21.519 11.787 168 HA LEU 309 HA LEU 309 -7.254 23.158 12.119 169 1HB LEU 309 HB2 LEU 309 -5.300 21.689 13.875 170 2HB LEU 309 HB3 LEU 309 -6.348 22.868 14.638 171 HG LEU 309 HG LEU 309 -8.333 21.757 14.058 172 1HD1 LEU 309 HD11 LEU 309 -6.772 19.824 12.301 173 2HD1 LEU 309 HD12 LEU 309 -8.482 19.683 12.750 174 3HD1 LEU 309 HD13 LEU 309 -7.953 21.028 11.744 175 1HD2 LEU 309 HD21 LEU 309 -6.272 19.630 14.759 176 2HD2 LEU 309 HD22 LEU 309 -7.045 20.750 15.912 177 3HD2 LEU 309 HD23 LEU 309 -8.023 19.549 15.049 178 H LYS 310 H LYS 310 -4.225 24.287 11.459 179 HA LYS 310 HA LYS 310 -4.842 26.992 12.583 180 1HB LYS 310 HB2 LYS 310 -2.058 25.805 12.238 181 2HB LYS 310 HB3 LYS 310 -2.481 27.365 12.949 182 1HG LYS 310 HG2 LYS 310 -3.723 26.109 14.773 183 2HG LYS 310 HG3 LYS 310 -3.067 24.607 14.098 184 1HD LYS 310 HD2 LYS 310 -0.729 25.619 14.410 185 2HD LYS 310 HD3 LYS 310 -1.521 26.946 15.273 186 1HE LYS 310 HE2 LYS 310 -0.931 25.536 17.030 187 2HE LYS 310 HE3 LYS 310 -2.616 25.093 16.736 188 1HZ LYS 310 HZ1 LYS 310 -1.313 23.096 16.907 189 2HZ LYS 310 HZ2 LYS 310 -1.694 23.229 15.313 190 3HZ LYS 310 HZ3 LYS 310 -0.200 23.618 15.834 191 H GLY 311 H GLY 311 -4.802 25.306 9.765 192 1HA GLY 311 HA2 GLY 311 -4.875 27.373 7.928 193 2HA GLY 311 HA3 GLY 311 -3.148 27.028 8.087 194 H GLN 312 H GLN 312 -6.278 25.377 7.488 195 HA GLN 312 HA GLN 312 -5.400 22.965 6.408 196 1HB GLN 312 HB2 GLN 312 -7.839 24.582 5.555 197 2HB GLN 312 HB3 GLN 312 -7.572 22.859 5.261 198 1HG GLN 312 HG2 GLN 312 -7.484 22.498 7.753 199 2HG GLN 312 HG3 GLN 312 -7.902 24.198 7.973 200 1HE2 GLN 312 HE21 GLN 312 -9.820 23.485 9.160 201 2HE2 GLN 312 HE22 GLN 312 -11.216 22.919 8.253 202 H GLN 313 H GLN 313 -5.345 26.064 4.780 203 HA GLN 313 HA GLN 313 -5.106 25.184 2.072 204 1HB GLN 313 HB2 GLN 313 -5.768 27.450 2.885 205 2HB GLN 313 HB3 GLN 313 -4.123 27.719 3.453 206 1HG GLN 313 HG2 GLN 313 -4.571 28.874 1.335 207 2HG GLN 313 HG3 GLN 313 -3.279 27.708 1.154 208 1HE2 GLN 313 HE22 GLN 313 -3.441 26.603 -0.801 209 2HE2 GLN 313 HE21 GLN 313 -4.964 26.232 -1.603 210 H ALA 314 H ALA 314 -2.800 24.899 4.637 211 HA ALA 314 HA ALA 314 -0.546 24.491 2.720 212 1HB ALA 314 HB1 ALA 314 -0.464 26.143 5.280 213 2HB ALA 314 HB2 ALA 314 0.883 25.866 4.153 214 3HB ALA 314 HB3 ALA 314 -0.519 26.807 3.632 215 H LEU 315 H LEU 315 1.454 23.802 4.141 216 HA LEU 315 HA LEU 315 0.798 21.530 5.936 217 1HB LEU 315 HB2 LEU 315 0.698 20.738 3.568 218 2HB LEU 315 HB3 LEU 315 2.318 21.375 3.296 219 HG LEU 315 HG LEU 315 3.227 19.749 4.964 220 1HD1 LEU 315 HD11 LEU 315 1.778 17.838 5.633 221 2HD1 LEU 315 HD12 LEU 315 0.368 18.673 4.948 222 3HD1 LEU 315 HD13 LEU 315 1.229 19.357 6.346 223 1HD2 LEU 315 HD21 LEU 315 1.573 18.519 2.720 224 2HD2 LEU 315 HD22 LEU 315 3.184 19.252 2.546 225 3HD2 LEU 315 HD23 LEU 315 2.984 17.786 3.517 226 1H GLY 586 H1 GLY 586 -8.638 7.865 33.051 227 2H GLY 586 H2 GLY 586 -7.546 6.994 32.187 228 3H GLY 586 H3 GLY 586 -8.325 6.309 33.447 229 1HA GLY 586 HA2 GLY 586 -7.232 7.722 35.038 230 2HA GLY 586 HA3 GLY 586 -6.054 6.840 34.052 231 H VAL 587 H VAL 587 -7.647 9.983 34.524 232 HA VAL 587 HA VAL 587 -6.116 11.383 32.491 233 HB VAL 587 HB VAL 587 -7.762 12.523 34.787 234 1HG1 VAL 587 HG11 VAL 587 -6.997 13.725 32.088 235 2HG1 VAL 587 HG12 VAL 587 -8.133 14.445 33.246 236 3HG1 VAL 587 HG13 VAL 587 -6.441 14.288 33.682 237 1HG2 VAL 587 HG21 VAL 587 -9.607 12.672 33.101 238 2HG2 VAL 587 HG22 VAL 587 -8.615 11.738 31.962 239 3HG2 VAL 587 HG23 VAL 587 -9.190 11.008 33.480 240 H ARG 588 H ARG 588 -5.350 10.454 35.680 241 HA ARG 588 HA ARG 588 -3.782 12.492 36.755 242 1HB ARG 588 HB2 ARG 588 -3.470 9.470 36.952 243 2HB ARG 588 HB3 ARG 588 -2.597 10.619 37.974 244 1HG ARG 588 HG2 ARG 588 -4.749 11.526 38.821 245 2HG ARG 588 HG3 ARG 588 -5.630 10.321 37.859 246 1HD ARG 588 HD2 ARG 588 -4.481 8.499 39.078 247 2HD ARG 588 HD3 ARG 588 -3.582 9.701 40.028 248 HE ARG 588 HE ARG 588 -6.394 10.198 40.272 249 1HH1 ARG 588 HH22 ARG 588 -4.034 7.868 41.408 250 2HH1 ARG 588 HH21 ARG 588 -4.929 7.536 42.866 251 1HH2 ARG 588 HH11 ARG 588 -7.483 9.727 42.153 252 2HH2 ARG 588 HH12 ARG 588 -6.831 8.561 43.268 253 H LYS 589 H LYS 589 -2.874 10.671 33.979 254 HA LYS 589 HA LYS 589 -0.015 11.030 34.033 255 1HB LYS 589 HB2 LYS 589 -1.744 11.010 31.540 256 2HB LYS 589 HB3 LYS 589 -0.051 10.529 31.708 257 1HG LYS 589 HG2 LYS 589 -0.837 8.603 33.179 258 2HG LYS 589 HG3 LYS 589 -2.495 9.071 32.776 259 1HD LYS 589 HD2 LYS 589 -1.560 8.935 30.264 260 2HD LYS 589 HD3 LYS 589 -0.348 7.895 31.014 261 1HE LYS 589 HE2 LYS 589 -2.070 6.472 30.198 262 2HE LYS 589 HE3 LYS 589 -2.282 6.511 31.956 263 1HZ LYS 589 HZ1 LYS 589 -4.402 6.838 30.692 264 2HZ LYS 589 HZ2 LYS 589 -4.070 8.122 31.640 265 3HZ LYS 589 HZ3 LYS 589 -3.779 8.222 30.042 266 H GLY 590 H GLY 590 -2.568 13.321 33.514 267 1HA GLY 590 HA2 GLY 590 -2.439 15.607 33.638 268 2HA GLY 590 HA3 GLY 590 -0.678 15.515 33.619 269 H TRP 591 H TRP 591 -0.368 14.244 31.075 270 HA TRP 591 HA TRP 591 -0.391 16.443 29.308 271 1HB TRP 591 HB2 TRP 591 0.330 14.942 27.627 272 2HB TRP 591 HB3 TRP 591 1.074 14.441 29.139 273 HD1 TRP 591 HD1 TRP 591 0.678 11.976 29.863 274 HE1 TRP 591 HE1 TRP 591 -0.460 9.930 28.758 275 HE3 TRP 591 HE3 TRP 591 -1.784 14.334 26.020 276 HZ2 TRP 591 HZ2 TRP 591 -2.230 9.416 26.599 277 HZ3 TRP 591 HZ3 TRP 591 -3.166 13.016 24.440 278 HH2 TRP 591 HH2 TRP 591 -3.399 10.570 24.713 279 H HIS 592 H HIS 592 -2.972 14.284 29.983 280 HA HIS 592 HA HIS 592 -4.482 14.128 27.654 281 1HB HIS 592 HB2 HIS 592 -5.196 14.249 30.605 282 2HB HIS 592 HB3 HIS 592 -6.411 13.987 29.369 283 HD1 HIS 592 HD1 HIS 592 -7.030 11.543 29.577 284 HD2 HIS 592 HD2 HIS 592 -2.876 12.220 29.547 285 HE1 HIS 592 HE1 HIS 592 -5.941 9.244 29.578 286 H GLU 593 H GLU 593 -4.258 16.903 29.863 287 HA GLU 593 HA GLU 593 -6.542 18.353 28.913 288 1HB GLU 593 HB2 GLU 593 -3.998 19.328 30.282 289 2HB GLU 593 HB3 GLU 593 -5.508 20.227 30.110 290 1HG GLU 593 HG2 GLU 593 -6.668 18.347 31.385 291 2HG GLU 593 HG3 GLU 593 -5.071 17.696 31.740 292 H HIS 594 H HIS 594 -3.544 17.776 27.334 293 HA HIS 594 HA HIS 594 -3.564 20.314 25.814 294 1HB HIS 594 HB2 HIS 594 -1.614 17.992 25.789 295 2HB HIS 594 HB3 HIS 594 -1.380 19.558 25.014 296 HD1 HIS 594 HD1 HIS 594 0.528 18.331 27.361 297 HD2 HIS 594 HD2 HIS 594 -2.469 21.264 27.704 298 HE1 HIS 594 HE1 HIS 594 1.092 19.691 29.444 299 H VAL 595 H VAL 595 -5.428 17.731 25.404 300 HA VAL 595 HA VAL 595 -5.256 17.770 22.404 301 HB VAL 595 HB VAL 595 -6.377 15.585 24.197 302 1HG1 VAL 595 HG11 VAL 595 -6.197 15.761 21.149 303 2HG1 VAL 595 HG12 VAL 595 -6.658 14.323 22.077 304 3HG1 VAL 595 HG13 VAL 595 -7.691 15.757 22.109 305 1HG2 VAL 595 HG21 VAL 595 -3.925 15.540 24.138 306 2HG2 VAL 595 HG22 VAL 595 -4.575 14.221 23.152 307 3HG2 VAL 595 HG23 VAL 595 -3.944 15.677 22.361 308 H THR 596 H THR 596 -6.618 19.274 21.695 309 HA THR 596 HA THR 596 -9.041 20.074 23.082 310 HB THR 596 HB THR 596 -9.460 21.477 21.128 311 HG1 THR 596 HG1 THR 596 -7.852 21.438 19.451 312 1HG2 THR 596 HG21 THR 596 -7.769 22.238 22.821 313 2HG2 THR 596 HG22 THR 596 -6.484 21.583 21.781 314 3HG2 THR 596 HG23 THR 596 -7.517 22.904 21.200 315 H GLN 597 H GLN 597 -11.213 19.956 22.207 316 HA GLN 597 HA GLN 597 -12.044 17.403 21.231 317 1HB GLN 597 HB2 GLN 597 -13.397 19.083 22.536 318 2HB GLN 597 HB3 GLN 597 -13.535 20.052 21.059 319 1HG GLN 597 HG2 GLN 597 -14.701 18.185 19.930 320 2HG GLN 597 HG3 GLN 597 -14.497 17.168 21.359 321 1HE2 GLN 597 HE22 GLN 597 -16.767 19.063 19.787 322 2HE2 GLN 597 HE21 GLN 597 -17.752 19.473 21.185 323 H ASP 598 H ASP 598 -11.172 20.399 19.517 324 HA ASP 598 HA ASP 598 -12.041 19.622 16.888 325 1HB ASP 598 HB2 ASP 598 -9.818 21.499 17.796 326 2HB ASP 598 HB3 ASP 598 -10.400 21.349 16.140 327 H LEU 599 H LEU 599 -8.846 19.267 18.558 328 HA LEU 599 HA LEU 599 -7.543 17.898 16.429 329 1HB LEU 599 HB2 LEU 599 -6.432 18.933 18.429 330 2HB LEU 599 HB3 LEU 599 -7.074 17.619 19.430 331 HG LEU 599 HG LEU 599 -5.735 15.975 18.231 332 1HD1 LEU 599 HD11 LEU 599 -4.768 18.315 16.528 333 2HD1 LEU 599 HD12 LEU 599 -4.026 16.699 16.552 334 3HD1 LEU 599 HD13 LEU 599 -5.680 16.889 15.979 335 1HD2 LEU 599 HD21 LEU 599 -4.029 18.405 18.929 336 2HD2 LEU 599 HD22 LEU 599 -4.666 17.227 20.100 337 3HD2 LEU 599 HD23 LEU 599 -3.495 16.711 18.871 338 H ARG 600 H ARG 600 -9.329 16.624 19.250 339 HA ARG 600 HA ARG 600 -9.191 13.871 18.667 340 1HB ARG 600 HB2 ARG 600 -10.398 15.469 20.615 341 2HB ARG 600 HB3 ARG 600 -11.809 14.925 19.725 342 1HG ARG 600 HG2 ARG 600 -11.502 13.324 21.429 343 2HG ARG 600 HG3 ARG 600 -10.844 12.542 19.978 344 1HD ARG 600 HD2 ARG 600 -8.548 13.494 20.718 345 2HD ARG 600 HD3 ARG 600 -9.321 13.911 22.246 346 HE ARG 600 HE ARG 600 -8.956 11.155 21.120 347 1HH1 ARG 600 HH21 ARG 600 -9.599 13.044 24.022 348 2HH1 ARG 600 HH22 ARG 600 -9.801 11.609 24.986 349 1HH2 ARG 600 HH11 ARG 600 -9.468 9.495 22.278 350 2HH2 ARG 600 HH12 ARG 600 -9.681 9.597 24.032 351 H SER 601 H SER 601 -11.729 16.143 17.600 352 HA SER 601 HA SER 601 -13.328 14.317 16.149 353 1HB SER 601 HB2 SER 601 -12.794 17.257 15.548 354 2HB SER 601 HB3 SER 601 -14.143 16.298 14.907 355 HG SER 601 HG SER 601 -13.645 17.012 17.617 356 H HIS 602 H HIS 602 -10.700 16.435 14.895 357 HA HIS 602 HA HIS 602 -10.926 15.438 12.209 358 1HB HIS 602 HB2 HIS 602 -10.088 17.665 12.887 359 2HB HIS 602 HB3 HIS 602 -8.656 16.922 13.571 360 HD1 HIS 602 HD1 HIS 602 -9.547 18.726 10.608 361 HD2 HIS 602 HD2 HIS 602 -7.481 15.137 11.330 362 HE1 HIS 602 HE1 HIS 602 -8.089 18.307 8.558 363 H LEU 603 H LEU 603 -8.638 14.559 14.910 364 HA LEU 603 HA LEU 603 -7.149 12.692 13.328 365 1HB LEU 603 HB2 LEU 603 -7.606 12.911 16.327 366 2HB LEU 603 HB3 LEU 603 -6.604 11.663 15.621 367 HG LEU 603 HG LEU 603 -6.100 14.659 15.478 368 1HD1 LEU 603 HD11 LEU 603 -5.508 13.528 17.617 369 2HD1 LEU 603 HD12 LEU 603 -4.498 12.379 16.705 370 3HD1 LEU 603 HD13 LEU 603 -4.076 14.105 16.734 371 1HD2 LEU 603 HD21 LEU 603 -5.283 13.648 13.359 372 2HD2 LEU 603 HD22 LEU 603 -3.975 14.166 14.408 373 3HD2 LEU 603 HD23 LEU 603 -4.376 12.448 14.313 374 H VAL 604 H VAL 604 -10.119 12.120 15.294 375 HA VAL 604 HA VAL 604 -10.306 9.318 14.708 376 HB VAL 604 HB VAL 604 -12.439 11.409 15.257 377 1HG1 VAL 604 HG11 VAL 604 -14.026 9.581 15.633 378 2HG1 VAL 604 HG12 VAL 604 -13.532 9.599 13.951 379 3HG1 VAL 604 HG13 VAL 604 -12.843 8.385 15.059 380 1HG2 VAL 604 HG21 VAL 604 -12.578 10.338 17.438 381 2HG2 VAL 604 HG22 VAL 604 -11.451 9.062 16.939 382 3HG2 VAL 604 HG23 VAL 604 -10.881 10.728 17.138 383 H HIS 605 H HIS 605 -11.667 12.127 12.853 384 HA HIS 605 HA HIS 605 -12.777 10.517 10.791 385 1HB HIS 605 HB2 HIS 605 -13.347 12.895 11.258 386 2HB HIS 605 HB3 HIS 605 -11.783 13.387 10.603 387 HD1 HIS 605 HD1 HIS 605 -15.128 11.831 9.437 388 HD2 HIS 605 HD2 HIS 605 -11.564 13.496 7.936 389 HE1 HIS 605 HE1 HIS 605 -15.476 12.124 6.927 390 H LYS 606 H LYS 606 -9.563 12.031 10.984 391 HA LYS 606 HA LYS 606 -8.532 11.202 8.455 392 1HB LYS 606 HB2 LYS 606 -7.506 12.871 10.080 393 2HB LYS 606 HB3 LYS 606 -7.035 11.513 11.085 394 1HG LYS 606 HG2 LYS 606 -5.088 11.927 9.901 395 2HG LYS 606 HG3 LYS 606 -5.778 10.613 8.976 396 1HD LYS 606 HD2 LYS 606 -4.936 12.216 7.440 397 2HD LYS 606 HD3 LYS 606 -6.699 12.389 7.361 398 1HE LYS 606 HE2 LYS 606 -6.651 14.400 8.681 399 2HE LYS 606 HE3 LYS 606 -5.007 14.074 9.245 400 1HZ LYS 606 HZ1 LYS 606 -4.184 14.498 7.044 401 2HZ LYS 606 HZ2 LYS 606 -5.696 14.812 6.462 402 3HZ LYS 606 HZ3 LYS 606 -4.998 15.799 7.570 403 H LEU 607 H LEU 607 -8.495 9.521 11.601 404 HA LEU 607 HA LEU 607 -7.160 7.193 10.672 405 1HB LEU 607 HB2 LEU 607 -8.271 8.074 13.132 406 2HB LEU 607 HB3 LEU 607 -9.116 6.601 12.804 407 HG LEU 607 HG LEU 607 -6.116 6.585 12.452 408 1HD1 LEU 607 HD11 LEU 607 -7.421 6.542 15.186 409 2HD1 LEU 607 HD12 LEU 607 -5.720 6.153 14.801 410 3HD1 LEU 607 HD13 LEU 607 -6.330 7.796 14.540 411 1HD2 LEU 607 HD21 LEU 607 -6.337 4.329 13.340 412 2HD2 LEU 607 HD22 LEU 607 -8.042 4.628 13.776 413 3HD2 LEU 607 HD23 LEU 607 -7.554 4.564 12.068 414 H VAL 608 H VAL 608 -10.686 7.821 10.954 415 HA VAL 608 HA VAL 608 -11.614 5.386 9.845 416 HB VAL 608 HB VAL 608 -12.824 8.170 9.774 417 1HG1 VAL 608 HG11 VAL 608 -14.087 5.497 9.062 418 2HG1 VAL 608 HG12 VAL 608 -14.981 7.017 9.299 419 3HG1 VAL 608 HG13 VAL 608 -13.857 6.871 7.951 420 1HG2 VAL 608 HG21 VAL 608 -14.234 7.307 11.577 421 2HG2 VAL 608 HG22 VAL 608 -13.504 5.693 11.426 422 3HG2 VAL 608 HG23 VAL 608 -12.548 7.054 12.031 423 H GLN 609 H GLN 609 -10.728 8.397 8.050 424 HA GLN 609 HA GLN 609 -11.289 7.242 5.466 425 1HB GLN 609 HB2 GLN 609 -9.515 9.565 6.307 426 2HB GLN 609 HB3 GLN 609 -9.820 9.134 4.627 427 1HG GLN 609 HG2 GLN 609 -11.988 9.862 6.628 428 2HG GLN 609 HG3 GLN 609 -11.329 10.956 5.415 429 1HE2 GLN 609 HE22 GLN 609 -14.023 9.124 5.948 430 2HE2 GLN 609 HE21 GLN 609 -14.414 8.727 4.275 431 H ALA 610 H ALA 610 -8.228 7.363 7.372 432 HA ALA 610 HA ALA 610 -6.721 6.108 5.254 433 1HB ALA 610 HB1 ALA 610 -5.051 5.626 7.010 434 2HB ALA 610 HB2 ALA 610 -5.545 7.337 6.952 435 3HB ALA 610 HB3 ALA 610 -6.187 6.276 8.226 436 H ILE 611 H ILE 611 -8.827 4.747 7.760 437 HA ILE 611 HA ILE 611 -8.067 1.973 7.237 438 HB ILE 611 HB ILE 611 -10.580 3.141 8.495 439 1HG1 ILE 611 HG12 ILE 611 -8.403 1.645 9.980 440 2HG1 ILE 611 HG13 ILE 611 -8.192 3.347 9.672 441 1HG2 ILE 611 HG21 ILE 611 -9.593 0.263 8.209 442 2HG2 ILE 611 HG22 ILE 611 -10.824 0.740 9.381 443 3HG2 ILE 611 HG23 ILE 611 -11.139 0.944 7.659 444 1HD1 ILE 611 HD11 ILE 611 -10.522 2.121 11.209 445 2HD1 ILE 611 HD12 ILE 611 -9.174 3.049 11.874 446 3HD1 ILE 611 HD13 ILE 611 -10.337 3.854 10.835 447 H PHE 612 H PHE 612 -10.935 3.995 6.206 448 HA PHE 612 HA PHE 612 -10.861 2.586 3.583 449 1HB PHE 612 HB2 PHE 612 -12.455 1.373 4.850 450 2HB PHE 612 HB3 PHE 612 -13.192 2.836 5.464 451 HD1 PHE 612 HD1 PHE 612 -12.465 2.848 1.812 452 HD2 PHE 612 HD2 PHE 612 -15.317 1.744 4.860 453 HE1 PHE 612 HE1 PHE 612 -14.292 3.067 0.172 454 HE2 PHE 612 HE2 PHE 612 -17.129 1.820 3.166 455 HZ PHE 612 HZ PHE 612 -16.614 2.472 0.835 456 HA PRO 613 HA PRO 613 -11.368 7.010 2.491 457 1HB PRO 613 HB2 PRO 613 -10.483 5.984 -0.179 458 2HB PRO 613 HB3 PRO 613 -9.878 7.364 0.769 459 1HG PRO 613 HG2 PRO 613 -8.472 5.025 0.529 460 2HG PRO 613 HG3 PRO 613 -8.463 5.982 2.043 461 1HD PRO 613 HD2 PRO 613 -10.125 3.538 1.373 462 2HD PRO 613 HD3 PRO 613 -9.205 3.898 2.865 463 H THR 614 H THR 614 -13.628 6.934 2.690 464 HA THR 614 HA THR 614 -15.398 5.249 1.392 465 HB THR 614 HB THR 614 -17.119 7.156 1.868 466 HG1 THR 614 HG1 THR 614 -15.618 8.843 2.060 467 1HG2 THR 614 HG21 THR 614 -17.078 6.589 4.250 468 2HG2 THR 614 HG22 THR 614 -16.783 5.150 3.266 469 3HG2 THR 614 HG23 THR 614 -15.426 5.951 4.087 470 HA PRO 615 HA PRO 615 -15.439 6.514 -2.739 471 1HB PRO 615 HB2 PRO 615 -17.825 5.504 -3.707 472 2HB PRO 615 HB3 PRO 615 -16.415 4.502 -3.250 473 1HG PRO 615 HG2 PRO 615 -18.819 5.182 -1.540 474 2HG PRO 615 HG3 PRO 615 -18.113 3.562 -1.864 475 1HD PRO 615 HD2 PRO 615 -17.412 4.863 0.382 476 2HD PRO 615 HD3 PRO 615 -16.161 4.062 -0.613 477 H ASP 616 H ASP 616 -18.228 7.471 -0.801 478 HA ASP 616 HA ASP 616 -18.602 10.015 -2.193 479 1HB ASP 616 HB2 ASP 616 -20.572 9.581 -3.242 480 2HB ASP 616 HB3 ASP 616 -19.911 7.981 -3.372 481 HA PRO 617 HA PRO 617 -19.938 11.256 1.777 482 1HB PRO 617 HB2 PRO 617 -21.961 13.092 1.463 483 2HB PRO 617 HB3 PRO 617 -20.261 13.380 0.982 484 1HG PRO 617 HG2 PRO 617 -22.566 12.480 -0.763 485 2HG PRO 617 HG3 PRO 617 -21.363 13.768 -1.093 486 1HD PRO 617 HD2 PRO 617 -21.147 11.262 -2.105 487 2HD PRO 617 HD3 PRO 617 -19.692 12.180 -1.638 488 H ALA 618 H ALA 618 -22.484 9.584 -0.030 489 HA ALA 618 HA ALA 618 -24.150 9.220 2.365 490 1HB ALA 618 HB1 ALA 618 -25.424 7.692 1.001 491 2HB ALA 618 HB2 ALA 618 -25.095 9.157 0.057 492 3HB ALA 618 HB3 ALA 618 -24.170 7.666 -0.249 493 H ALA 619 H ALA 619 -21.532 7.361 0.681 494 HA ALA 619 HA ALA 619 -21.701 5.035 2.258 495 1HB ALA 619 HB1 ALA 619 -19.359 4.643 1.606 496 2HB ALA 619 HB2 ALA 619 -20.352 5.174 0.241 497 3HB ALA 619 HB3 ALA 619 -19.235 6.318 1.023 498 H LEU 620 H LEU 620 -20.168 8.114 3.161 499 HA LEU 620 HA LEU 620 -18.798 7.464 5.517 500 1HB LEU 620 HB2 LEU 620 -20.495 9.856 4.732 501 2HB LEU 620 HB3 LEU 620 -19.619 9.807 6.239 502 HG LEU 620 HG LEU 620 -18.249 9.564 3.536 503 1HD1 LEU 620 HD11 LEU 620 -17.614 11.905 3.849 504 2HD1 LEU 620 HD12 LEU 620 -19.381 11.777 3.871 505 3HD1 LEU 620 HD13 LEU 620 -18.496 11.977 5.392 506 1HD2 LEU 620 HD21 LEU 620 -16.241 10.191 4.880 507 2HD2 LEU 620 HD22 LEU 620 -17.208 10.101 6.368 508 3HD2 LEU 620 HD23 LEU 620 -16.908 8.641 5.402 509 H LYS 621 H LYS 621 -22.251 7.415 5.018 510 HA LYS 621 HA LYS 621 -22.724 6.832 7.913 511 1HB LYS 621 HB2 LYS 621 -24.825 8.059 7.780 512 2HB LYS 621 HB3 LYS 621 -23.436 9.087 7.446 513 1HG LYS 621 HG2 LYS 621 -23.903 8.991 5.020 514 2HG LYS 621 HG3 LYS 621 -25.283 7.912 5.317 515 1HD LYS 621 HD2 LYS 621 -26.384 9.686 6.646 516 2HD LYS 621 HD3 LYS 621 -24.983 10.753 6.395 517 1HE LYS 621 HE2 LYS 621 -25.354 10.650 3.938 518 2HE LYS 621 HE3 LYS 621 -26.759 9.606 4.192 519 1HZ LYS 621 HZ1 LYS 621 -26.503 12.394 5.197 520 2HZ LYS 621 HZ2 LYS 621 -27.417 11.932 3.926 521 3HZ LYS 621 HZ3 LYS 621 -27.803 11.432 5.430 522 H ASP 622 H ASP 622 -22.378 5.085 5.425 523 HA ASP 622 HA ASP 622 -24.803 3.555 5.118 524 1HB ASP 622 HB2 ASP 622 -22.806 3.379 3.635 525 2HB ASP 622 HB3 ASP 622 -21.888 2.671 4.967 526 H ARG 623 H ARG 623 -25.533 1.723 6.271 527 HA ARG 623 HA ARG 623 -25.241 1.644 9.045 528 1HB ARG 623 HB2 ARG 623 -26.462 -0.391 9.061 529 2HB ARG 623 HB3 ARG 623 -27.149 0.685 7.865 530 1HG ARG 623 HG2 ARG 623 -25.297 -1.645 7.170 531 2HG ARG 623 HG3 ARG 623 -27.046 -1.777 7.290 532 1HD ARG 623 HD2 ARG 623 -27.308 -0.062 5.504 533 2HD ARG 623 HD3 ARG 623 -25.562 -0.019 5.303 534 HE ARG 623 HE ARG 623 -27.390 -2.260 4.607 535 1HH1 ARG 623 HH11 ARG 623 -24.062 -1.036 4.353 536 2HH1 ARG 623 HH12 ARG 623 -23.656 -2.334 3.270 537 1HH2 ARG 623 HH21 ARG 623 -26.805 -3.721 3.263 538 2HH2 ARG 623 HH22 ARG 623 -25.156 -3.859 2.671 539 H ARG 624 H ARG 624 -23.088 0.026 6.770 540 HA ARG 624 HA ARG 624 -21.670 -1.352 9.018 541 1HB ARG 624 HB2 ARG 624 -21.222 -1.390 6.018 542 2HB ARG 624 HB3 ARG 624 -20.211 -2.239 7.195 543 1HG ARG 624 HG2 ARG 624 -22.264 -3.497 7.971 544 2HG ARG 624 HG3 ARG 624 -23.178 -2.702 6.687 545 1HD ARG 624 HD2 ARG 624 -22.641 -4.833 5.849 546 2HD ARG 624 HD3 ARG 624 -21.568 -3.703 5.012 547 HE ARG 624 HE ARG 624 -20.296 -4.786 7.376 548 1HH1 ARG 624 HH11 ARG 624 -21.091 -5.850 4.087 549 2HH1 ARG 624 HH12 ARG 624 -19.758 -7.004 4.128 550 1HH2 ARG 624 HH21 ARG 624 -18.647 -6.379 7.211 551 2HH2 ARG 624 HH22 ARG 624 -18.574 -7.274 5.698 552 H MET 625 H MET 625 -21.303 1.546 7.021 553 HA MET 625 HA MET 625 -18.563 2.066 7.833 554 1HB MET 625 HB2 MET 625 -19.831 3.218 5.870 555 2HB MET 625 HB3 MET 625 -20.574 4.224 7.120 556 1HG MET 625 HG2 MET 625 -18.663 5.413 6.343 557 2HG MET 625 HG3 MET 625 -18.188 4.762 7.905 558 1HE MET 625 HE1 MET 625 -14.700 4.413 6.286 559 2HE MET 625 HE2 MET 625 -15.830 5.783 6.440 560 3HE MET 625 HE3 MET 625 -15.621 4.645 7.787 561 H GLU 626 H GLU 626 -21.763 3.037 9.173 562 HA GLU 626 HA GLU 626 -20.900 4.586 11.337 563 1HB GLU 626 HB2 GLU 626 -23.258 4.188 10.503 564 2HB GLU 626 HB3 GLU 626 -23.216 2.613 11.290 565 1HG GLU 626 HG2 GLU 626 -24.398 4.088 12.729 566 2HG GLU 626 HG3 GLU 626 -22.849 3.787 13.498 567 H ASN 627 H ASN 627 -21.076 1.038 11.135 568 HA ASN 627 HA ASN 627 -20.263 0.567 13.878 569 1HB ASN 627 HB2 ASN 627 -20.144 -1.223 11.415 570 2HB ASN 627 HB3 ASN 627 -19.811 -1.751 13.064 571 1HD2 ASN 627 HD22 ASN 627 -21.806 -2.941 11.467 572 2HD2 ASN 627 HD21 ASN 627 -23.354 -2.565 12.208 573 H LEU 628 H LEU 628 -18.410 0.852 10.808 574 HA LEU 628 HA LEU 628 -15.824 0.387 11.974 575 1HB LEU 628 HB2 LEU 628 -16.006 0.208 9.623 576 2HB LEU 628 HB3 LEU 628 -16.823 1.743 9.465 577 HG LEU 628 HG LEU 628 -14.809 2.995 9.842 578 1HD1 LEU 628 HD11 LEU 628 -13.592 1.407 11.416 579 2HD1 LEU 628 HD12 LEU 628 -13.227 0.402 10.000 580 3HD1 LEU 628 HD13 LEU 628 -12.628 2.069 10.103 581 1HD2 LEU 628 HD21 LEU 628 -15.308 2.076 7.567 582 2HD2 LEU 628 HD22 LEU 628 -13.578 2.354 7.842 583 3HD2 LEU 628 HD23 LEU 628 -14.249 0.707 7.905 584 H VAL 629 H VAL 629 -17.617 3.394 11.398 585 HA VAL 629 HA VAL 629 -15.827 5.274 12.533 586 HB VAL 629 HB VAL 629 -18.813 5.124 12.124 587 1HG1 VAL 629 HG11 VAL 629 -18.692 6.522 14.095 588 2HG1 VAL 629 HG12 VAL 629 -17.412 7.520 13.342 589 3HG1 VAL 629 HG13 VAL 629 -19.065 7.479 12.667 590 1HG2 VAL 629 HG21 VAL 629 -17.238 5.497 10.200 591 2HG2 VAL 629 HG22 VAL 629 -18.384 6.820 10.449 592 3HG2 VAL 629 HG23 VAL 629 -16.700 6.994 10.989 593 H ALA 630 H ALA 630 -18.341 3.339 14.204 594 HA ALA 630 HA ALA 630 -17.846 4.404 16.812 595 1HB ALA 630 HB1 ALA 630 -19.209 2.483 17.552 596 2HB ALA 630 HB2 ALA 630 -19.943 3.298 16.157 597 3HB ALA 630 HB3 ALA 630 -19.086 1.757 15.935 598 H TYR 631 H TYR 631 -16.604 1.383 15.228 599 HA TYR 631 HA TYR 631 -14.960 0.589 17.444 600 1HB TYR 631 HB2 TYR 631 -14.882 -1.205 16.143 601 2HB TYR 631 HB3 TYR 631 -15.509 -0.333 14.782 602 HD1 TYR 631 HD1 TYR 631 -14.329 -0.734 12.868 603 HD2 TYR 631 HD2 TYR 631 -12.156 -0.565 16.569 604 HE1 TYR 631 HE1 TYR 631 -12.218 -1.038 11.641 605 HE2 TYR 631 HE2 TYR 631 -10.015 -0.733 15.302 606 HH TYR 631 HH TYR 631 -9.927 -0.816 11.739 607 H ALA 632 H ALA 632 -14.195 2.651 14.591 608 HA ALA 632 HA ALA 632 -11.513 3.211 15.269 609 1HB ALA 632 HB1 ALA 632 -12.535 3.724 13.087 610 2HB ALA 632 HB2 ALA 632 -13.554 4.969 13.843 611 3HB ALA 632 HB3 ALA 632 -11.790 5.170 13.798 612 H LYS 633 H LYS 633 -14.510 5.015 16.260 613 HA LYS 633 HA LYS 633 -13.163 6.929 17.941 614 1HB LYS 633 HB2 LYS 633 -15.968 5.747 17.964 615 2HB LYS 633 HB3 LYS 633 -15.445 6.938 19.162 616 1HG LYS 633 HG2 LYS 633 -14.929 8.568 17.466 617 2HG LYS 633 HG3 LYS 633 -15.272 7.421 16.160 618 1HD LYS 633 HD2 LYS 633 -17.635 7.254 16.906 619 2HD LYS 633 HD3 LYS 633 -17.307 8.430 18.199 620 1HE LYS 633 HE2 LYS 633 -16.666 10.119 16.491 621 2HE LYS 633 HE3 LYS 633 -16.978 8.945 15.206 622 1HZ LYS 633 HZ1 LYS 633 -18.884 10.410 15.529 623 2HZ LYS 633 HZ2 LYS 633 -19.318 8.889 15.931 624 3HZ LYS 633 HZ3 LYS 633 -19.019 9.992 17.099 625 H LYS 634 H LYS 634 -14.420 3.702 18.755 626 HA LYS 634 HA LYS 634 -13.801 3.757 21.546 627 1HB LYS 634 HB2 LYS 634 -15.332 2.158 20.402 628 2HB LYS 634 HB3 LYS 634 -13.936 1.349 19.678 629 1HG LYS 634 HG2 LYS 634 -13.080 0.870 22.005 630 2HG LYS 634 HG3 LYS 634 -14.563 1.568 22.660 631 1HD LYS 634 HD2 LYS 634 -14.363 -0.835 20.785 632 2HD LYS 634 HD3 LYS 634 -14.584 -0.938 22.526 633 1HE LYS 634 HE2 LYS 634 -16.568 0.384 20.614 634 2HE LYS 634 HE3 LYS 634 -16.664 -1.293 21.151 635 1HZ LYS 634 HZ1 LYS 634 -18.058 0.122 22.522 636 2HZ LYS 634 HZ2 LYS 634 -16.869 -0.504 23.441 637 3HZ LYS 634 HZ3 LYS 634 -16.799 1.059 22.964 638 H VAL 635 H VAL 635 -11.841 2.379 18.855 639 HA VAL 635 HA VAL 635 -9.638 1.716 20.631 640 HB VAL 635 HB VAL 635 -9.695 1.812 17.599 641 1HG1 VAL 635 HG11 VAL 635 -7.670 0.672 19.584 642 2HG1 VAL 635 HG12 VAL 635 -7.715 0.228 17.873 643 3HG1 VAL 635 HG13 VAL 635 -7.368 1.900 18.335 644 1HG2 VAL 635 HG21 VAL 635 -9.948 -0.494 19.597 645 2HG2 VAL 635 HG22 VAL 635 -11.268 0.149 18.606 646 3HG2 VAL 635 HG23 VAL 635 -9.898 -0.655 17.831 647 H GLU 636 H GLU 636 -10.294 4.621 18.606 648 HA GLU 636 HA GLU 636 -7.798 5.895 18.982 649 1HB GLU 636 HB2 GLU 636 -9.707 6.673 17.558 650 2HB GLU 636 HB3 GLU 636 -10.553 7.213 18.992 651 1HG GLU 636 HG2 GLU 636 -7.763 8.171 18.226 652 2HG GLU 636 HG3 GLU 636 -9.199 8.890 17.543 653 H GLY 637 H GLY 637 -10.602 5.750 21.197 654 1HA GLY 637 HA2 GLY 637 -9.430 7.239 23.351 655 2HA GLY 637 HA3 GLY 637 -10.806 6.137 23.446 656 H ASP 638 H ASP 638 -9.221 3.778 22.494 657 HA ASP 638 HA ASP 638 -8.155 2.918 25.069 658 1HB ASP 638 HB2 ASP 638 -9.346 1.425 23.458 659 2HB ASP 638 HB3 ASP 638 -8.006 1.604 22.325 660 H MET 639 H MET 639 -6.743 3.822 21.919 661 HA MET 639 HA MET 639 -3.975 3.415 22.621 662 1HB MET 639 HB2 MET 639 -5.320 5.193 20.549 663 2HB MET 639 HB3 MET 639 -3.587 4.861 20.601 664 1HG MET 639 HG2 MET 639 -5.721 2.707 20.311 665 2HG MET 639 HG3 MET 639 -4.925 3.474 18.957 666 1HE MET 639 HE1 MET 639 -4.312 1.054 18.033 667 2HE MET 639 HE2 MET 639 -3.562 -0.213 19.026 668 3HE MET 639 HE3 MET 639 -5.192 0.379 19.426 669 H TYR 640 H TYR 640 -6.115 6.277 22.760 670 HA TYR 640 HA TYR 640 -4.298 8.191 23.832 671 1HB TYR 640 HB2 TYR 640 -6.462 8.690 22.886 672 2HB TYR 640 HB3 TYR 640 -7.285 7.745 24.092 673 HD1 TYR 640 HD1 TYR 640 -7.764 8.588 26.302 674 HD2 TYR 640 HD2 TYR 640 -5.554 10.951 23.446 675 HE1 TYR 640 HE1 TYR 640 -8.238 10.644 27.627 676 HE2 TYR 640 HE2 TYR 640 -5.996 12.995 24.793 677 HH TYR 640 HH TYR 640 -7.078 13.879 26.620 678 H GLU 641 H GLU 641 -6.530 5.948 25.606 679 HA GLU 641 HA GLU 641 -5.618 6.674 28.203 680 1HB GLU 641 HB2 GLU 641 -7.720 5.429 27.625 681 2HB GLU 641 HB3 GLU 641 -6.744 4.012 27.241 682 1HG GLU 641 HG2 GLU 641 -7.688 3.736 29.427 683 2HG GLU 641 HG3 GLU 641 -5.957 3.943 29.620 684 H SER 642 H SER 642 -4.234 4.474 25.837 685 HA SER 642 HA SER 642 -2.525 3.071 27.760 686 1HB SER 642 HB2 SER 642 -2.529 3.035 24.718 687 2HB SER 642 HB3 SER 642 -1.577 1.966 25.764 688 HG SER 642 HG SER 642 -4.398 2.145 25.534 689 H ALA 643 H ALA 643 -2.097 6.042 26.012 690 HA ALA 643 HA ALA 643 0.800 5.802 25.778 691 1HB ALA 643 HB1 ALA 643 0.580 8.030 24.748 692 2HB ALA 643 HB2 ALA 643 -0.535 6.858 24.027 693 3HB ALA 643 HB3 ALA 643 -1.139 8.063 25.177 694 H ASN 644 H ASN 644 2.329 6.831 26.902 695 HA ASN 644 HA ASN 644 1.622 8.233 29.419 696 1HB ASN 644 HB2 ASN 644 3.904 7.943 30.071 697 2HB ASN 644 HB3 ASN 644 3.258 6.423 29.480 698 1HD2 ASN 644 HD22 ASN 644 5.166 5.421 28.843 699 2HD2 ASN 644 HD21 ASN 644 6.211 6.085 27.599 700 H SER 645 H SER 645 2.097 9.254 26.258 701 HA SER 645 HA SER 645 2.203 12.037 27.158 702 1HB SER 645 HB2 SER 645 4.047 12.735 25.831 703 2HB SER 645 HB3 SER 645 4.620 11.357 26.779 704 HG SER 645 HG SER 645 5.286 11.064 24.677 705 H ARG 646 H ARG 646 1.703 13.562 25.421 706 HA ARG 646 HA ARG 646 -0.449 12.764 23.723 707 1HB ARG 646 HB2 ARG 646 0.091 15.070 24.692 708 2HB ARG 646 HB3 ARG 646 1.304 15.241 23.419 709 1HG ARG 646 HG2 ARG 646 -0.504 14.969 21.698 710 2HG ARG 646 HG3 ARG 646 -1.677 14.746 23.006 711 1HD ARG 646 HD2 ARG 646 -1.898 17.027 22.397 712 2HD ARG 646 HD3 ARG 646 -0.967 17.027 23.888 713 HE ARG 646 HE ARG 646 0.930 17.794 22.739 714 1HH1 ARG 646 HH11 ARG 646 -1.579 17.076 20.359 715 2HH1 ARG 646 HH12 ARG 646 -0.629 17.874 19.097 716 1HH2 ARG 646 HH21 ARG 646 1.981 18.773 20.946 717 2HH2 ARG 646 HH22 ARG 646 1.149 18.703 19.388 718 H ASP 647 H ASP 647 2.980 13.247 23.027 719 HA ASP 647 HA ASP 647 2.858 12.804 20.189 720 1HB ASP 647 HB2 ASP 647 4.751 13.879 21.367 721 2HB ASP 647 HB3 ASP 647 5.131 12.349 22.160 722 H GLU 648 H GLU 648 3.400 10.520 22.951 723 HA GLU 648 HA GLU 648 3.668 8.198 21.271 724 1HB GLU 648 HB2 GLU 648 4.481 8.306 23.582 725 2HB GLU 648 HB3 GLU 648 2.820 8.397 24.185 726 1HG GLU 648 HG2 GLU 648 2.338 6.162 23.301 727 2HG GLU 648 HG3 GLU 648 3.908 6.105 22.490 728 H TYR 649 H TYR 649 0.792 9.747 22.762 729 HA TYR 649 HA TYR 649 -1.143 7.815 21.959 730 1HB TYR 649 HB2 TYR 649 -2.073 9.273 23.374 731 2HB TYR 649 HB3 TYR 649 -1.099 10.628 22.860 732 HD1 TYR 649 HD1 TYR 649 -3.965 8.513 21.601 733 HD2 TYR 649 HD2 TYR 649 -2.113 12.406 21.761 734 HE1 TYR 649 HE1 TYR 649 -5.973 9.518 20.541 735 HE2 TYR 649 HE2 TYR 649 -4.093 13.394 20.626 736 HH TYR 649 HH TYR 649 -6.968 11.423 19.775 737 H TYR 650 H TYR 650 -0.207 10.821 20.177 738 HA TYR 650 HA TYR 650 -1.481 10.173 17.721 739 1HB TYR 650 HB2 TYR 650 -0.655 12.338 17.760 740 2HB TYR 650 HB3 TYR 650 0.863 11.874 18.519 741 HD1 TYR 650 HD1 TYR 650 2.792 11.296 17.277 742 HD2 TYR 650 HD2 TYR 650 -0.990 11.815 15.222 743 HE1 TYR 650 HE1 TYR 650 3.900 10.855 15.095 744 HE2 TYR 650 HE2 TYR 650 0.138 11.478 13.081 745 HH TYR 650 HH TYR 650 2.097 10.702 12.023 746 H HIS 651 H HIS 651 1.826 9.167 18.805 747 HA HIS 651 HA HIS 651 2.506 7.844 16.402 748 1HB HIS 651 HB2 HIS 651 4.085 8.485 18.207 749 2HB HIS 651 HB3 HIS 651 3.430 7.200 19.226 750 HD1 HIS 651 HD1 HIS 651 5.397 7.591 15.906 751 HD2 HIS 651 HD2 HIS 651 4.441 4.787 18.897 752 HE1 HIS 651 HE1 HIS 651 6.816 5.528 15.429 753 H LEU 652 H LEU 652 0.836 6.506 19.298 754 HA LEU 652 HA LEU 652 0.571 3.820 18.306 755 1HB LEU 652 HB2 LEU 652 -1.021 5.483 20.294 756 2HB LEU 652 HB3 LEU 652 -1.394 3.804 19.949 757 HG LEU 652 HG LEU 652 1.290 4.729 21.047 758 1HD1 LEU 652 HD11 LEU 652 0.499 3.852 23.188 759 2HD1 LEU 652 HD12 LEU 652 -0.603 5.112 22.612 760 3HD1 LEU 652 HD13 LEU 652 -1.065 3.407 22.461 761 1HD2 LEU 652 HD21 LEU 652 1.486 2.588 19.874 762 2HD2 LEU 652 HD22 LEU 652 1.566 2.330 21.617 763 3HD2 LEU 652 HD23 LEU 652 0.067 1.956 20.738 764 H LEU 653 H LEU 653 -1.594 6.681 17.954 765 HA LEU 653 HA LEU 653 -3.632 5.349 16.432 766 1HB LEU 653 HB2 LEU 653 -2.674 8.246 16.287 767 2HB LEU 653 HB3 LEU 653 -4.096 7.622 15.498 768 HG LEU 653 HG LEU 653 -3.645 7.998 18.468 769 1HD1 LEU 653 HD11 LEU 653 -5.644 9.430 18.224 770 2HD1 LEU 653 HD12 LEU 653 -4.323 9.958 17.174 771 3HD1 LEU 653 HD13 LEU 653 -5.704 9.062 16.498 772 1HD2 LEU 653 HD21 LEU 653 -6.040 6.635 17.209 773 2HD2 LEU 653 HD22 LEU 653 -4.811 5.840 18.220 774 3HD2 LEU 653 HD23 LEU 653 -5.830 7.094 18.918 775 H ALA 654 H ALA 654 -0.685 7.080 15.283 776 HA ALA 654 HA ALA 654 -1.286 6.437 12.553 777 1HB ALA 654 HB1 ALA 654 0.911 7.494 12.094 778 2HB ALA 654 HB2 ALA 654 -0.008 8.465 13.256 779 3HB ALA 654 HB3 ALA 654 1.318 7.430 13.822 780 H GLU 655 H GLU 655 0.688 4.728 14.981 781 HA GLU 655 HA GLU 655 1.839 2.806 13.190 782 1HB GLU 655 HB2 GLU 655 2.594 3.145 15.513 783 2HB GLU 655 HB3 GLU 655 1.052 2.519 16.122 784 1HG GLU 655 HG2 GLU 655 1.530 0.317 15.113 785 2HG GLU 655 HG3 GLU 655 3.000 0.955 14.371 786 H LYS 656 H LYS 656 -1.331 2.782 14.945 787 HA LYS 656 HA LYS 656 -2.276 0.293 13.836 788 1HB LYS 656 HB2 LYS 656 -3.369 1.334 15.737 789 2HB LYS 656 HB3 LYS 656 -3.749 2.789 14.811 790 1HG LYS 656 HG2 LYS 656 -5.274 1.512 13.363 791 2HG LYS 656 HG3 LYS 656 -4.849 0.012 14.211 792 1HD LYS 656 HD2 LYS 656 -5.773 0.974 16.309 793 2HD LYS 656 HD3 LYS 656 -6.235 2.449 15.454 794 1HE LYS 656 HE2 LYS 656 -7.172 -0.339 14.630 795 2HE LYS 656 HE3 LYS 656 -8.048 0.631 15.818 796 1HZ LYS 656 HZ1 LYS 656 -8.881 0.829 13.502 797 2HZ LYS 656 HZ2 LYS 656 -8.494 2.279 14.177 798 3HZ LYS 656 HZ3 LYS 656 -7.500 1.586 13.068 799 H ILE 657 H ILE 657 -2.245 3.596 12.443 800 HA ILE 657 HA ILE 657 -3.750 2.806 10.084 801 HB ILE 657 HB ILE 657 -1.953 5.187 10.682 802 1HG1 ILE 657 HG12 ILE 657 -4.051 5.326 11.821 803 2HG1 ILE 657 HG13 ILE 657 -4.118 6.433 10.463 804 1HG2 ILE 657 HG21 ILE 657 -2.838 6.179 8.530 805 2HG2 ILE 657 HG22 ILE 657 -1.633 4.910 8.347 806 3HG2 ILE 657 HG23 ILE 657 -3.338 4.535 8.062 807 1HD1 ILE 657 HD11 ILE 657 -6.213 5.342 10.399 808 2HD1 ILE 657 HD12 ILE 657 -5.310 4.391 9.223 809 3HD1 ILE 657 HD13 ILE 657 -5.540 3.780 10.869 810 H TYR 658 H TYR 658 -0.198 3.030 10.616 811 HA TYR 658 HA TYR 658 0.488 2.003 8.033 812 1HB TYR 658 HB2 TYR 658 2.055 3.048 9.676 813 2HB TYR 658 HB3 TYR 658 1.912 1.634 10.698 814 HD1 TYR 658 HD1 TYR 658 2.933 -0.527 10.051 815 HD2 TYR 658 HD2 TYR 658 3.411 2.986 7.552 816 HE1 TYR 658 HE1 TYR 658 4.883 -1.572 8.923 817 HE2 TYR 658 HE2 TYR 658 5.359 1.980 6.522 818 HH TYR 658 HH TYR 658 6.553 -1.307 7.370 819 H LYS 659 H LYS 659 -0.083 0.253 11.110 820 HA LYS 659 HA LYS 659 0.087 -2.415 10.308 821 1HB LYS 659 HB2 LYS 659 -0.212 -1.822 12.611 822 2HB LYS 659 HB3 LYS 659 -1.667 -0.924 12.260 823 1HG LYS 659 HG2 LYS 659 -2.285 -2.885 13.446 824 2HG LYS 659 HG3 LYS 659 -2.921 -3.005 11.807 825 1HD LYS 659 HD2 LYS 659 -0.914 -4.408 11.207 826 2HD LYS 659 HD3 LYS 659 -0.421 -4.311 12.918 827 1HE LYS 659 HE2 LYS 659 -2.451 -5.467 13.619 828 2HE LYS 659 HE3 LYS 659 -3.127 -5.381 11.982 829 1HZ LYS 659 HZ1 LYS 659 -2.149 -7.576 12.522 830 2HZ LYS 659 HZ2 LYS 659 -1.481 -6.907 11.199 831 3HZ LYS 659 HZ3 LYS 659 -0.662 -6.904 12.629 832 H ILE 660 H ILE 660 -2.964 -0.497 10.234 833 HA ILE 660 HA ILE 660 -4.439 -2.572 8.896 834 HB ILE 660 HB ILE 660 -4.928 0.354 9.472 835 1HG1 ILE 660 HG12 ILE 660 -6.235 -2.277 10.317 836 2HG1 ILE 660 HG13 ILE 660 -5.027 -1.399 11.248 837 1HG2 ILE 660 HG21 ILE 660 -6.063 0.093 7.320 838 2HG2 ILE 660 HG22 ILE 660 -6.841 -1.415 7.868 839 3HG2 ILE 660 HG23 ILE 660 -7.239 0.151 8.598 840 1HD1 ILE 660 HD11 ILE 660 -7.874 -0.530 10.690 841 2HD1 ILE 660 HD12 ILE 660 -7.125 -0.934 12.238 842 3HD1 ILE 660 HD13 ILE 660 -6.626 0.544 11.382 843 H GLN 661 H GLN 661 -3.102 0.505 7.530 844 HA GLN 661 HA GLN 661 -4.167 -0.185 4.973 845 1HB GLN 661 HB2 GLN 661 -3.849 2.109 5.904 846 2HB GLN 661 HB3 GLN 661 -2.109 1.940 5.663 847 1HG GLN 661 HG2 GLN 661 -3.234 3.223 3.857 848 2HG GLN 661 HG3 GLN 661 -2.388 1.785 3.282 849 1HE2 GLN 661 HE22 GLN 661 -5.794 2.536 4.504 850 2HE2 GLN 661 HE21 GLN 661 -6.528 1.626 3.199 851 H LYS 662 H LYS 662 -0.828 -0.631 6.266 852 HA LYS 662 HA LYS 662 0.292 -1.487 3.712 853 1HB LYS 662 HB2 LYS 662 1.124 -2.103 6.582 854 2HB LYS 662 HB3 LYS 662 2.051 -2.561 5.187 855 1HG LYS 662 HG2 LYS 662 1.389 0.325 5.927 856 2HG LYS 662 HG3 LYS 662 2.874 -0.515 6.326 857 1HD LYS 662 HD2 LYS 662 1.886 0.255 3.561 858 2HD LYS 662 HD3 LYS 662 3.252 0.930 4.433 859 1HE LYS 662 HE2 LYS 662 3.032 -1.877 3.261 860 2HE LYS 662 HE3 LYS 662 4.022 -0.551 2.661 861 1HZ LYS 662 HZ1 LYS 662 4.413 -1.969 5.246 862 2HZ LYS 662 HZ2 LYS 662 5.381 -2.055 3.941 863 3HZ LYS 662 HZ3 LYS 662 5.281 -0.664 4.796 864 H GLU 663 H GLU 663 -1.219 -3.260 6.428 865 HA GLU 663 HA GLU 663 -0.790 -5.862 5.269 866 1HB GLU 663 HB2 GLU 663 -1.192 -5.336 7.685 867 2HB GLU 663 HB3 GLU 663 -2.901 -5.046 7.305 868 1HG GLU 663 HG2 GLU 663 -3.114 -7.383 6.524 869 2HG GLU 663 HG3 GLU 663 -1.392 -7.653 6.811 870 H LEU 664 H LEU 664 -3.621 -3.620 5.167 871 HA LEU 664 HA LEU 664 -5.270 -5.336 3.568 872 1HB LEU 664 HB2 LEU 664 -5.288 -2.452 4.385 873 2HB LEU 664 HB3 LEU 664 -6.063 -2.804 2.860 874 HG LEU 664 HG LEU 664 -7.484 -4.510 3.864 875 1HD1 LEU 664 HD11 LEU 664 -6.410 -3.562 6.558 876 2HD1 LEU 664 HD12 LEU 664 -7.769 -4.665 6.282 877 3HD1 LEU 664 HD13 LEU 664 -6.118 -5.173 5.863 878 1HD2 LEU 664 HD21 LEU 664 -7.559 -1.824 5.294 879 2HD2 LEU 664 HD22 LEU 664 -8.212 -2.180 3.678 880 3HD2 LEU 664 HD23 LEU 664 -8.898 -2.981 5.114 881 H GLU 665 H GLU 665 -2.981 -2.698 2.496 882 HA GLU 665 HA GLU 665 -3.693 -2.880 -0.204 883 1HB GLU 665 HB2 GLU 665 -2.243 -1.145 0.830 884 2HB GLU 665 HB3 GLU 665 -0.896 -2.300 0.841 885 1HG GLU 665 HG2 GLU 665 -1.006 -2.484 -1.601 886 2HG GLU 665 HG3 GLU 665 -2.456 -1.475 -1.658 887 H GLU 666 H GLU 666 -1.397 -5.022 1.530 888 HA GLU 666 HA GLU 666 -0.531 -6.547 -0.724 889 1HB GLU 666 HB2 GLU 666 0.415 -6.625 1.612 890 2HB GLU 666 HB3 GLU 666 -1.043 -7.474 2.131 891 1HG GLU 666 HG2 GLU 666 -0.465 -9.288 0.415 892 2HG GLU 666 HG3 GLU 666 1.071 -8.453 0.172 893 H LYS 667 H LYS 667 -3.437 -6.891 1.294 894 HA LYS 667 HA LYS 667 -4.431 -9.279 -0.093 895 1HB LYS 667 HB2 LYS 667 -5.952 -7.398 1.757 896 2HB LYS 667 HB3 LYS 667 -6.412 -9.028 1.280 897 1HG LYS 667 HG2 LYS 667 -4.145 -8.208 3.097 898 2HG LYS 667 HG3 LYS 667 -5.587 -9.124 3.508 899 1HD LYS 667 HD2 LYS 667 -4.761 -10.987 2.033 900 2HD LYS 667 HD3 LYS 667 -3.259 -10.094 1.768 901 1HE LYS 667 HE2 LYS 667 -4.307 -10.898 4.515 902 2HE LYS 667 HE3 LYS 667 -3.142 -11.848 3.586 903 1HZ LYS 667 HZ1 LYS 667 -1.572 -10.036 3.690 904 2HZ LYS 667 HZ2 LYS 667 -2.652 -9.038 4.417 905 3HZ LYS 667 HZ3 LYS 667 -2.073 -10.353 5.206 906 H ARG 668 H ARG 668 -4.420 -6.017 -0.997 907 HA ARG 668 HA ARG 668 -6.756 -6.394 -2.866 908 1HB ARG 668 HB2 ARG 668 -5.549 -3.813 -1.824 909 2HB ARG 668 HB3 ARG 668 -6.906 -3.936 -2.932 910 1HG ARG 668 HG2 ARG 668 -6.938 -4.908 -0.039 911 2HG ARG 668 HG3 ARG 668 -7.533 -3.362 -0.609 912 1HD ARG 668 HD2 ARG 668 -9.398 -4.750 -0.261 913 2HD ARG 668 HD3 ARG 668 -9.227 -4.561 -2.020 914 HE ARG 668 HE ARG 668 -7.857 -6.921 -1.041 915 1HH1 ARG 668 HH11 ARG 668 -11.170 -5.985 -1.786 916 2HH1 ARG 668 HH12 ARG 668 -11.537 -7.595 -2.351 917 1HH2 ARG 668 HH21 ARG 668 -8.395 -8.843 -1.677 918 2HH2 ARG 668 HH22 ARG 668 -10.033 -9.222 -2.172 919 H ARG 669 H ARG 669 -3.307 -5.818 -2.810 920 HA ARG 669 HA ARG 669 -3.019 -5.199 -5.634 921 1HB ARG 669 HB2 ARG 669 -1.192 -6.351 -3.492 922 2HB ARG 669 HB3 ARG 669 -0.670 -6.239 -5.175 923 1HG ARG 669 HG2 ARG 669 -0.971 -3.834 -5.215 924 2HG ARG 669 HG3 ARG 669 -1.655 -3.836 -3.584 925 1HD ARG 669 HD2 ARG 669 0.469 -4.687 -2.666 926 2HD ARG 669 HD3 ARG 669 1.172 -4.761 -4.281 927 HE ARG 669 HE ARG 669 0.644 -2.335 -2.645 928 1HH1 ARG 669 HH12 ARG 669 1.786 -3.453 -5.778 929 2HH1 ARG 669 HH11 ARG 669 2.512 -1.907 -6.126 930 1HH2 ARG 669 HH21 ARG 669 1.489 -0.501 -3.132 931 2HH2 ARG 669 HH22 ARG 669 2.356 -0.233 -4.645 932 H SER 670 H SER 670 -3.867 -8.133 -4.029 933 HA SER 670 HA SER 670 -3.207 -10.161 -5.820 934 1HB SER 670 HB2 SER 670 -5.861 -9.757 -4.380 935 2HB SER 670 HB3 SER 670 -5.228 -11.292 -4.998 936 HG SER 670 HG SER 670 -3.540 -11.160 -3.496 937 H ARG 671 H ARG 671 -3.418 -10.189 -7.975 938 HA ARG 671 HA ARG 671 -5.597 -8.857 -9.413 939 1HB ARG 671 HB2 ARG 671 -3.123 -9.124 -10.088 940 2HB ARG 671 HB3 ARG 671 -3.558 -10.719 -10.671 941 1HG ARG 671 HG2 ARG 671 -4.770 -8.046 -11.556 942 2HG ARG 671 HG3 ARG 671 -3.512 -8.935 -12.391 943 1HD ARG 671 HD2 ARG 671 -5.367 -9.457 -13.655 944 2HD ARG 671 HD3 ARG 671 -5.186 -10.869 -12.628 945 HE ARG 671 HE ARG 671 -7.285 -10.435 -11.722 946 1HH1 ARG 671 HH21 ARG 671 -6.332 -7.438 -13.312 947 2HH1 ARG 671 HH22 ARG 671 -7.915 -6.749 -13.068 948 1HH2 ARG 671 HH12 ARG 671 -9.126 -9.567 -11.468 949 2HH2 ARG 671 HH11 ARG 671 -9.507 -7.931 -12.018 950 H LEU 672 H LEU 672 -7.163 -9.972 -8.161 951 HA LEU 672 HA LEU 672 -7.924 -12.670 -8.204 952 1HB LEU 672 HB2 LEU 672 -9.678 -10.179 -8.240 953 2HB LEU 672 HB3 LEU 672 -10.241 -11.789 -7.815 954 HG LEU 672 HG LEU 672 -8.147 -10.216 -6.254 955 1HD1 LEU 672 HD11 LEU 672 -11.080 -10.783 -5.672 956 2HD1 LEU 672 HD12 LEU 672 -9.933 -9.964 -4.586 957 3HD1 LEU 672 HD13 LEU 672 -10.381 -9.212 -6.123 958 1HD2 LEU 672 HD21 LEU 672 -7.843 -12.649 -5.981 959 2HD2 LEU 672 HD22 LEU 672 -8.504 -11.930 -4.509 960 3HD2 LEU 672 HD23 LEU 672 -9.573 -12.833 -5.607 961 1H SER 839 H1 SER 839 -3.747 -4.825 27.166 962 2H SER 839 H2 SER 839 -2.784 -5.637 26.114 963 3H SER 839 H3 SER 839 -3.528 -4.253 25.645 964 HA SER 839 HA SER 839 -4.854 -6.785 26.334 965 1HB SER 839 HB2 SER 839 -6.117 -4.190 25.369 966 2HB SER 839 HB3 SER 839 -6.953 -5.719 25.713 967 HG SER 839 HG SER 839 -7.039 -4.259 27.489 968 H ASP 840 H ASP 840 -5.301 -8.140 24.654 969 HA ASP 840 HA ASP 840 -5.190 -7.282 21.851 970 1HB ASP 840 HB2 ASP 840 -2.797 -7.596 22.419 971 2HB ASP 840 HB3 ASP 840 -3.147 -9.211 23.035 972 H ALA 841 H ALA 841 -5.786 -8.989 20.405 973 HA ALA 841 HA ALA 841 -6.923 -11.501 21.485 974 1HB ALA 841 HB1 ALA 841 -8.794 -9.864 21.486 975 2HB ALA 841 HB2 ALA 841 -8.522 -9.559 19.754 976 3HB ALA 841 HB3 ALA 841 -9.058 -11.160 20.308 977 H GLY 842 H GLY 842 -4.883 -10.098 19.286 978 1HA GLY 842 HA2 GLY 842 -3.669 -11.438 17.717 979 2HA GLY 842 HA3 GLY 842 -5.139 -12.309 17.286 980 H ASN 843 H ASN 843 -6.160 -9.208 17.478 981 HA ASN 843 HA ASN 843 -5.288 -8.174 14.871 982 1HB ASN 843 HB2 ASN 843 -7.474 -8.205 13.873 983 2HB ASN 843 HB3 ASN 843 -7.150 -9.843 14.399 984 1HD2 ASN 843 HD22 ASN 843 -9.633 -7.740 14.155 985 2HD2 ASN 843 HD21 ASN 843 -10.540 -8.225 15.587 986 H ILE 844 H ILE 844 -6.502 -6.080 14.398 987 HA ILE 844 HA ILE 844 -7.485 -4.668 16.844 988 HB ILE 844 HB ILE 844 -5.833 -3.222 14.752 989 1HG1 ILE 844 HG12 ILE 844 -4.876 -4.351 17.422 990 2HG1 ILE 844 HG13 ILE 844 -4.304 -4.807 15.814 991 1HG2 ILE 844 HG21 ILE 844 -5.849 -1.427 16.416 992 2HG2 ILE 844 HG22 ILE 844 -7.516 -1.950 16.158 993 3HG2 ILE 844 HG23 ILE 844 -6.643 -2.479 17.605 994 1HD1 ILE 844 HD11 ILE 844 -3.833 -2.160 17.223 995 2HD1 ILE 844 HD12 ILE 844 -2.649 -3.384 16.751 996 3HD1 ILE 844 HD13 ILE 844 -3.479 -2.434 15.500 997 H LEU 845 H LEU 845 -7.347 -4.542 13.251 998 HA LEU 845 HA LEU 845 -9.889 -3.245 12.829 999 1HB LEU 845 HB2 LEU 845 -8.155 -3.271 11.163 1000 2HB LEU 845 HB3 LEU 845 -8.091 -5.030 11.164 1001 HG LEU 845 HG LEU 845 -10.339 -5.128 10.141 1002 1HD1 LEU 845 HD11 LEU 845 -11.254 -3.093 9.031 1003 2HD1 LEU 845 HD12 LEU 845 -11.372 -3.031 10.798 1004 3HD1 LEU 845 HD13 LEU 845 -10.108 -2.098 9.949 1005 1HD2 LEU 845 HD21 LEU 845 -8.314 -3.374 8.686 1006 2HD2 LEU 845 HD22 LEU 845 -8.302 -5.151 8.757 1007 3HD2 LEU 845 HD23 LEU 845 -9.613 -4.304 7.916 1008 HA PRO 846 HA PRO 846 -12.408 -6.821 14.265 1009 1HB PRO 846 HB2 PRO 846 -14.377 -5.019 12.852 1010 2HB PRO 846 HB3 PRO 846 -14.597 -5.881 14.396 1011 1HG PRO 846 HG2 PRO 846 -14.111 -3.282 14.422 1012 2HG PRO 846 HG3 PRO 846 -13.171 -4.340 15.529 1013 1HD PRO 846 HD2 PRO 846 -12.382 -3.302 12.797 1014 2HD PRO 846 HD3 PRO 846 -11.442 -3.266 14.324 1015 H SER 847 H SER 847 -12.962 -8.719 13.104 1016 HA SER 847 HA SER 847 -12.197 -8.931 10.367 1017 1HB SER 847 HB2 SER 847 -13.157 -11.229 10.532 1018 2HB SER 847 HB3 SER 847 -12.014 -10.817 11.822 1019 HG SER 847 HG SER 847 -13.914 -11.850 12.624 1020 H ASP 848 H ASP 848 -15.432 -8.568 11.814 1021 HA ASP 848 HA ASP 848 -16.905 -8.858 9.344 1022 1HB ASP 848 HB2 ASP 848 -18.794 -8.107 10.609 1023 2HB ASP 848 HB3 ASP 848 -17.871 -9.238 11.589 1024 H ILE 849 H ILE 849 -15.198 -6.162 10.790 1025 HA ILE 849 HA ILE 849 -16.333 -4.167 8.921 1026 HB ILE 849 HB ILE 849 -14.042 -4.005 10.906 1027 1HG1 ILE 849 HG12 ILE 849 -16.245 -4.207 12.012 1028 2HG1 ILE 849 HG13 ILE 849 -15.521 -2.634 12.264 1029 1HG2 ILE 849 HG21 ILE 849 -14.268 -1.524 10.546 1030 2HG2 ILE 849 HG22 ILE 849 -13.509 -2.425 9.236 1031 3HG2 ILE 849 HG23 ILE 849 -15.194 -1.895 9.070 1032 1HD1 ILE 849 HD11 ILE 849 -17.885 -2.416 11.908 1033 2HD1 ILE 849 HD12 ILE 849 -17.064 -1.691 10.518 1034 3HD1 ILE 849 HD13 ILE 849 -17.816 -3.298 10.374 1035 H MET 850 H MET 850 -13.296 -6.063 9.299 1036 HA MET 850 HA MET 850 -11.850 -5.008 7.161 1037 1HB MET 850 HB2 MET 850 -11.026 -6.721 8.793 1038 2HB MET 850 HB3 MET 850 -11.953 -7.954 7.945 1039 1HG MET 850 HG2 MET 850 -10.647 -7.647 5.924 1040 2HG MET 850 HG3 MET 850 -9.840 -6.230 6.591 1041 1HE MET 850 HE1 MET 850 -8.271 -8.669 5.216 1042 2HE MET 850 HE2 MET 850 -7.511 -7.200 5.870 1043 3HE MET 850 HE3 MET 850 -6.903 -8.802 6.341 1044 H ASP 851 H ASP 851 -14.289 -7.643 6.981 1045 HA ASP 851 HA ASP 851 -14.249 -8.155 4.228 1046 1HB ASP 851 HB2 ASP 851 -15.527 -9.476 5.812 1047 2HB ASP 851 HB3 ASP 851 -16.507 -8.089 6.276 1048 H PHE 852 H PHE 852 -16.031 -5.507 5.886 1049 HA PHE 852 HA PHE 852 -17.301 -4.478 3.501 1050 1HB PHE 852 HB2 PHE 852 -18.003 -4.070 5.914 1051 2HB PHE 852 HB3 PHE 852 -16.610 -3.042 6.105 1052 HD1 PHE 852 HD1 PHE 852 -19.484 -3.440 3.680 1053 HD2 PHE 852 HD2 PHE 852 -17.033 -0.751 5.998 1054 HE1 PHE 852 HE1 PHE 852 -20.873 -1.518 2.928 1055 HE2 PHE 852 HE2 PHE 852 -18.419 1.159 5.243 1056 HZ PHE 852 HZ PHE 852 -20.339 0.783 3.708 1057 H VAL 853 H VAL 853 -14.325 -3.564 5.293 1058 HA VAL 853 HA VAL 853 -13.560 -1.420 3.543 1059 HB VAL 853 HB VAL 853 -11.794 -3.161 5.351 1060 1HG1 VAL 853 HG11 VAL 853 -10.270 -1.199 5.343 1061 2HG1 VAL 853 HG12 VAL 853 -10.453 -1.885 3.720 1062 3HG1 VAL 853 HG13 VAL 853 -11.302 -0.398 4.137 1063 1HG2 VAL 853 HG21 VAL 853 -13.562 -2.013 6.643 1064 2HG2 VAL 853 HG22 VAL 853 -11.964 -1.351 6.969 1065 3HG2 VAL 853 HG23 VAL 853 -13.105 -0.475 5.917 1066 H LEU 854 H LEU 854 -12.790 -4.940 3.392 1067 HA LEU 854 HA LEU 854 -11.010 -4.721 1.157 1068 1HB LEU 854 HB2 LEU 854 -12.771 -7.105 1.892 1069 2HB LEU 854 HB3 LEU 854 -11.441 -7.087 0.755 1070 HG LEU 854 HG LEU 854 -11.376 -7.270 3.716 1071 1HD1 LEU 854 HD11 LEU 854 -11.066 -9.213 2.257 1072 2HD1 LEU 854 HD12 LEU 854 -9.645 -8.435 1.521 1073 3HD1 LEU 854 HD13 LEU 854 -9.633 -8.881 3.240 1074 1HD2 LEU 854 HD21 LEU 854 -9.011 -6.625 3.818 1075 2HD2 LEU 854 HD22 LEU 854 -9.102 -6.029 2.135 1076 3HD2 LEU 854 HD23 LEU 854 -10.042 -5.249 3.439 1077 H LYS 855 H LYS 855 -14.535 -5.324 1.283 1078 HA LYS 855 HA LYS 855 -14.797 -5.757 -1.573 1079 1HB LYS 855 HB2 LYS 855 -16.716 -5.426 0.751 1080 2HB LYS 855 HB3 LYS 855 -17.316 -5.521 -0.906 1081 1HG LYS 855 HG2 LYS 855 -16.330 -7.674 -1.284 1082 2HG LYS 855 HG3 LYS 855 -15.417 -7.611 0.235 1083 1HD LYS 855 HD2 LYS 855 -17.439 -7.720 1.547 1084 2HD LYS 855 HD3 LYS 855 -18.464 -7.639 0.096 1085 1HE LYS 855 HE2 LYS 855 -17.690 -9.774 -0.696 1086 2HE LYS 855 HE3 LYS 855 -16.381 -9.819 0.495 1087 1HZ LYS 855 HZ1 LYS 855 -18.299 -11.212 1.127 1088 2HZ LYS 855 HZ2 LYS 855 -17.931 -10.077 2.243 1089 3HZ LYS 855 HZ3 LYS 855 -19.243 -9.879 1.263 1090 H ASN 856 H ASN 856 -15.052 -2.832 0.363 1091 HA ASN 856 HA ASN 856 -16.701 -1.414 -1.500 1092 1HB ASN 856 HB2 ASN 856 -15.162 -0.748 0.987 1093 2HB ASN 856 HB3 ASN 856 -15.505 0.557 -0.105 1094 1HD2 ASN 856 HD22 ASN 856 -16.896 -1.688 2.114 1095 2HD2 ASN 856 HD21 ASN 856 -18.498 -0.960 2.119 1096 H THR 857 H THR 857 -13.117 -1.416 -1.191 1097 HA THR 857 HA THR 857 -12.886 0.875 -2.931 1098 HB THR 857 HB THR 857 -10.442 0.507 -2.743 1099 HG1 THR 857 HG1 THR 857 -9.783 -1.034 -1.215 1100 1HG2 THR 857 HG21 THR 857 -12.001 0.476 -0.109 1101 2HG2 THR 857 HG22 THR 857 -10.349 1.086 -0.353 1102 3HG2 THR 857 HG23 THR 857 -11.720 1.902 -1.123 1103 HA PRO 858 HA PRO 858 -11.683 -1.958 -6.517 1104 1HB PRO 858 HB2 PRO 858 -12.339 -4.583 -6.612 1105 2HB PRO 858 HB3 PRO 858 -10.865 -4.021 -5.768 1106 1HG PRO 858 HG2 PRO 858 -13.577 -4.633 -4.541 1107 2HG PRO 858 HG3 PRO 858 -11.972 -5.249 -4.035 1108 1HD PRO 858 HD2 PRO 858 -13.149 -3.102 -2.867 1109 2HD PRO 858 HD3 PRO 858 -11.378 -3.185 -3.085 1110 H SER 859 H SER 859 -13.071 -2.741 -8.364 1111 HA SER 859 HA SER 859 -15.724 -1.705 -8.362 1112 1HB SER 859 HB2 SER 859 -14.477 -3.698 -10.290 1113 2HB SER 859 HB3 SER 859 -15.905 -2.687 -10.589 1114 HG SER 859 HG SER 859 -14.012 -1.744 -11.468 1115 H MET 860 H MET 860 -14.675 -4.695 -7.120 1116 HA MET 860 HA MET 860 -17.048 -6.312 -7.567 1117 1HB MET 860 HB2 MET 860 -14.702 -6.649 -5.647 1118 2HB MET 860 HB3 MET 860 -15.928 -7.874 -6.009 1119 1HG MET 860 HG2 MET 860 -15.246 -7.866 -8.386 1120 2HG MET 860 HG3 MET 860 -13.968 -6.702 -8.013 1121 1HE MET 860 HE1 MET 860 -12.038 -10.045 -8.770 1122 2HE MET 860 HE2 MET 860 -13.536 -9.469 -9.529 1123 3HE MET 860 HE3 MET 860 -12.214 -8.327 -9.193 1124 H GLN 861 H GLN 861 -17.954 -3.902 -6.567 1125 HA GLN 861 HA GLN 861 -18.137 -3.612 -3.782 1126 1HB GLN 861 HB2 GLN 861 -19.513 -2.490 -6.174 1127 2HB GLN 861 HB3 GLN 861 -20.457 -2.403 -4.696 1128 1HG GLN 861 HG2 GLN 861 -17.581 -1.407 -4.861 1129 2HG GLN 861 HG3 GLN 861 -18.994 -0.404 -5.181 1130 1HE2 GLN 861 HE22 GLN 861 -18.219 0.953 -3.341 1131 2HE2 GLN 861 HE21 GLN 861 -18.580 0.408 -1.700 1132 H ALA 862 H ALA 862 -19.732 -3.851 -2.273 1133 HA ALA 862 HA ALA 862 -21.109 -6.427 -2.301 1134 1HB ALA 862 HB1 ALA 862 -19.890 -5.556 -0.323 1135 2HB ALA 862 HB2 ALA 862 -21.016 -4.185 -0.232 1136 3HB ALA 862 HB3 ALA 862 -21.601 -5.840 0.043 1137 H LEU 863 H LEU 863 -23.360 -6.656 -1.614 1138 HA LEU 863 HA LEU 863 -25.237 -4.436 -2.010 1139 1HB LEU 863 HB2 LEU 863 -24.913 -5.419 -4.293 1140 2HB LEU 863 HB3 LEU 863 -25.359 -7.002 -3.662 1141 HG LEU 863 HG LEU 863 -27.652 -6.148 -3.160 1142 1HD1 LEU 863 HD11 LEU 863 -27.191 -3.732 -2.871 1143 2HD1 LEU 863 HD12 LEU 863 -26.691 -3.618 -4.572 1144 3HD1 LEU 863 HD13 LEU 863 -28.376 -3.992 -4.151 1145 1HD2 LEU 863 HD21 LEU 863 -27.175 -7.261 -5.296 1146 2HD2 LEU 863 HD22 LEU 863 -28.398 -5.995 -5.497 1147 3HD2 LEU 863 HD23 LEU 863 -26.724 -5.702 -6.025 1148 H GLY 864 H GLY 864 -27.184 -4.751 -0.878 1149 1HA GLY 864 HA2 GLY 864 -28.338 -7.070 0.054 1150 2HA GLY 864 HA3 GLY 864 -27.169 -6.644 1.308 1151 H GLU 865 H GLU 865 -29.297 -6.628 2.479 1152 HA GLU 865 HA GLU 865 -31.216 -4.537 2.213 1153 1HB GLU 865 HB2 GLU 865 -31.967 -5.225 4.414 1154 2HB GLU 865 HB3 GLU 865 -31.617 -6.631 3.413 1155 1HG GLU 865 HG2 GLU 865 -29.412 -6.893 4.574 1156 2HG GLU 865 HG3 GLU 865 -29.793 -5.501 5.588 1157 H SER 866 H SER 866 -31.713 -2.888 3.862 1158 HA SER 866 HA SER 866 -29.495 -1.623 5.317 1159 1HB SER 866 HB2 SER 866 -29.307 -0.745 2.987 1160 2HB SER 866 HB3 SER 866 -30.994 -0.207 3.069 1161 HG SER 866 HG SER 866 -29.621 1.504 3.570 1162 HA PRO 867 HA PRO 867 -33.077 -0.632 7.844 1163 1HB PRO 867 HB2 PRO 867 -32.119 1.349 9.482 1164 2HB PRO 867 HB3 PRO 867 -31.627 -0.367 9.607 1165 1HG PRO 867 HG2 PRO 867 -30.189 1.879 8.157 1166 2HG PRO 867 HG3 PRO 867 -29.506 0.702 9.329 1167 1HD PRO 867 HD2 PRO 867 -29.288 0.324 6.662 1168 2HD PRO 867 HD3 PRO 867 -29.597 -1.057 7.749 1169 H GLU 868 H GLU 868 -31.832 1.605 5.552 1170 HA GLU 868 HA GLU 868 -34.406 3.093 5.529 1171 1HB GLU 868 HB2 GLU 868 -31.652 4.403 5.437 1172 2HB GLU 868 HB3 GLU 868 -33.172 5.202 5.027 1173 1HG GLU 868 HG2 GLU 868 -34.009 4.720 7.348 1174 2HG GLU 868 HG3 GLU 868 -32.401 4.112 7.761 1175 H SER 869 H SER 869 -34.824 4.155 3.477 1176 HA SER 869 HA SER 869 -33.250 3.528 1.081 1177 1HB SER 869 HB2 SER 869 -35.979 2.264 1.573 1178 2HB SER 869 HB3 SER 869 -35.284 2.475 -0.046 1179 HG SER 869 HG SER 869 -33.631 1.359 1.913 Start of MODEL 16 1 1H LYS 291 H1 LYS 291 10.923 2.116 1.351 2 2H LYS 291 H2 LYS 291 10.831 1.019 2.577 3 3H LYS 291 H3 LYS 291 10.118 0.719 1.146 4 HA LYS 291 HA LYS 291 8.511 2.425 1.404 5 1HB LYS 291 HB2 LYS 291 8.648 0.717 3.926 6 2HB LYS 291 HB3 LYS 291 7.261 1.671 3.400 7 1HG LYS 291 HG2 LYS 291 7.165 0.328 1.282 8 2HG LYS 291 HG3 LYS 291 8.430 -0.723 1.961 9 1HD LYS 291 HD2 LYS 291 6.984 -1.198 3.918 10 2HD LYS 291 HD3 LYS 291 5.693 -0.220 3.215 11 1HE LYS 291 HE2 LYS 291 6.912 -2.721 1.933 12 2HE LYS 291 HE3 LYS 291 5.438 -2.703 2.896 13 1HZ LYS 291 HZ1 LYS 291 4.741 -2.588 0.681 14 2HZ LYS 291 HZ2 LYS 291 4.545 -1.071 1.224 15 3HZ LYS 291 HZ3 LYS 291 5.824 -1.425 0.258 16 H GLU 292 H GLU 292 11.155 2.961 3.708 17 HA GLU 292 HA GLU 292 10.097 4.346 5.730 18 1HB GLU 292 HB2 GLU 292 12.597 5.116 4.193 19 2HB GLU 292 HB3 GLU 292 12.177 5.703 5.807 20 1HG GLU 292 HG2 GLU 292 12.145 3.358 6.650 21 2HG GLU 292 HG3 GLU 292 12.644 2.787 5.056 22 H LYS 293 H LYS 293 10.658 6.075 2.604 23 HA LYS 293 HA LYS 293 9.720 8.628 3.532 24 1HB LYS 293 HB2 LYS 293 11.023 8.267 1.438 25 2HB LYS 293 HB3 LYS 293 9.625 7.460 0.711 26 1HG LYS 293 HG2 LYS 293 8.326 9.550 0.878 27 2HG LYS 293 HG3 LYS 293 9.667 10.338 1.736 28 1HD LYS 293 HD2 LYS 293 11.111 10.093 -0.257 29 2HD LYS 293 HD3 LYS 293 9.802 9.237 -1.109 30 1HE LYS 293 HE2 LYS 293 8.342 11.225 -0.798 31 2HE LYS 293 HE3 LYS 293 9.682 12.098 -0.046 32 1HZ LYS 293 HZ1 LYS 293 9.483 12.630 -2.416 33 2HZ LYS 293 HZ2 LYS 293 10.911 11.895 -2.139 34 3HZ LYS 293 HZ3 LYS 293 9.687 11.069 -2.838 35 H ARG 294 H ARG 294 7.897 5.978 2.020 36 HA ARG 294 HA ARG 294 5.311 7.318 2.186 37 1HB ARG 294 HB2 ARG 294 5.741 5.629 0.514 38 2HB ARG 294 HB3 ARG 294 6.169 4.424 1.711 39 1HG ARG 294 HG2 ARG 294 3.423 5.511 2.072 40 2HG ARG 294 HG3 ARG 294 3.682 4.758 0.503 41 1HD ARG 294 HD2 ARG 294 4.357 2.658 1.481 42 2HD ARG 294 HD3 ARG 294 4.450 3.369 3.093 43 HE ARG 294 HE ARG 294 2.171 3.372 3.338 44 1HH1 ARG 294 HH11 ARG 294 2.786 2.158 0.050 45 2HH1 ARG 294 HH12 ARG 294 1.144 1.501 -0.013 46 1HH2 ARG 294 HH21 ARG 294 0.125 2.461 3.001 47 2HH2 ARG 294 HH22 ARG 294 -0.176 1.660 1.452 48 H ILE 295 H ILE 295 7.145 5.182 4.410 49 HA ILE 295 HA ILE 295 5.008 4.876 6.276 50 HB ILE 295 HB ILE 295 7.944 4.897 6.928 51 1HG1 ILE 295 HG12 ILE 295 7.564 3.128 5.415 52 2HG1 ILE 295 HG13 ILE 295 7.633 2.423 7.025 53 1HG2 ILE 295 HG21 ILE 295 5.569 3.912 8.569 54 2HG2 ILE 295 HG22 ILE 295 7.277 3.654 8.964 55 3HG2 ILE 295 HG23 ILE 295 6.622 5.287 8.958 56 1HD1 ILE 295 HD11 ILE 295 6.018 1.268 5.704 57 2HD1 ILE 295 HD12 ILE 295 5.152 2.180 6.963 58 3HD1 ILE 295 HD13 ILE 295 5.202 2.769 5.274 59 H LYS 296 H LYS 296 7.658 7.307 6.214 60 HA LYS 296 HA LYS 296 6.667 8.966 8.322 61 1HB LYS 296 HB2 LYS 296 8.962 9.049 7.362 62 2HB LYS 296 HB3 LYS 296 8.306 9.710 5.858 63 1HG LYS 296 HG2 LYS 296 7.514 11.728 7.091 64 2HG LYS 296 HG3 LYS 296 8.090 11.024 8.608 65 1HD LYS 296 HD2 LYS 296 9.678 12.674 7.838 66 2HD LYS 296 HD3 LYS 296 10.422 11.070 7.735 67 1HE LYS 296 HE2 LYS 296 9.926 11.005 5.293 68 2HE LYS 296 HE3 LYS 296 9.150 12.591 5.406 69 1HZ LYS 296 HZ1 LYS 296 12.019 12.047 5.979 70 2HZ LYS 296 HZ2 LYS 296 11.446 12.784 4.641 71 3HZ LYS 296 HZ3 LYS 296 11.305 13.513 6.093 72 H GLU 297 H GLU 297 6.011 9.100 4.820 73 HA GLU 297 HA GLU 297 4.379 11.364 4.675 74 1HB GLU 297 HB2 GLU 297 5.259 10.015 2.776 75 2HB GLU 297 HB3 GLU 297 4.140 8.732 3.181 76 1HG GLU 297 HG2 GLU 297 2.229 10.277 2.700 77 2HG GLU 297 HG3 GLU 297 3.415 11.519 2.272 78 H LEU 298 H LEU 298 3.200 7.973 5.272 79 HA LEU 298 HA LEU 298 0.487 8.821 5.699 80 1HB LEU 298 HB2 LEU 298 1.284 6.486 5.065 81 2HB LEU 298 HB3 LEU 298 1.822 6.302 6.730 82 HG LEU 298 HG LEU 298 -0.672 6.891 7.369 83 1HD1 LEU 298 HD11 LEU 298 -2.329 6.271 5.670 84 2HD1 LEU 298 HD12 LEU 298 -1.377 7.652 5.115 85 3HD1 LEU 298 HD13 LEU 298 -1.042 6.031 4.470 86 1HD2 LEU 298 HD21 LEU 298 -1.384 4.545 7.028 87 2HD2 LEU 298 HD22 LEU 298 0.059 4.278 6.027 88 3HD2 LEU 298 HD23 LEU 298 0.221 4.719 7.751 89 H GLU 299 H GLU 299 3.198 8.278 7.997 90 HA GLU 299 HA GLU 299 1.621 8.597 10.358 91 1HB GLU 299 HB2 GLU 299 3.966 7.644 10.188 92 2HB GLU 299 HB3 GLU 299 4.571 9.292 9.998 93 1HG GLU 299 HG2 GLU 299 3.687 9.891 12.223 94 2HG GLU 299 HG3 GLU 299 2.920 8.321 12.369 95 H LEU 300 H LEU 300 3.443 10.980 8.402 96 HA LEU 300 HA LEU 300 2.977 13.259 10.014 97 1HB LEU 300 HB2 LEU 300 4.748 12.988 8.304 98 2HB LEU 300 HB3 LEU 300 3.526 13.023 7.033 99 HG LEU 300 HG LEU 300 2.974 15.373 7.647 100 1HD1 LEU 300 HD11 LEU 300 4.536 16.616 9.143 101 2HD1 LEU 300 HD12 LEU 300 3.613 15.406 10.031 102 3HD1 LEU 300 HD13 LEU 300 5.309 15.082 9.601 103 1HD2 LEU 300 HD21 LEU 300 4.657 14.875 5.915 104 2HD2 LEU 300 HD22 LEU 300 5.038 16.370 6.784 105 3HD2 LEU 300 HD23 LEU 300 5.938 14.878 7.149 106 H LEU 301 H LEU 301 0.942 11.829 7.464 107 HA LEU 301 HA LEU 301 -0.925 13.954 7.135 108 1HB LEU 301 HB2 LEU 301 -1.127 10.934 6.917 109 2HB LEU 301 HB3 LEU 301 -2.547 11.931 6.713 110 HG LEU 301 HG LEU 301 -0.036 12.219 5.008 111 1HD1 LEU 301 HD11 LEU 301 -1.128 10.030 4.668 112 2HD1 LEU 301 HD12 LEU 301 -2.695 10.827 4.426 113 3HD1 LEU 301 HD13 LEU 301 -1.369 11.075 3.263 114 1HD2 LEU 301 HD21 LEU 301 -1.576 13.455 3.483 115 2HD2 LEU 301 HD22 LEU 301 -2.853 13.356 4.715 116 3HD2 LEU 301 HD23 LEU 301 -1.367 14.284 5.025 117 H LEU 302 H LEU 302 -0.717 11.539 9.721 118 HA LEU 302 HA LEU 302 -3.109 12.612 11.091 119 1HB LEU 302 HB2 LEU 302 -1.137 10.390 11.564 120 2HB LEU 302 HB3 LEU 302 -1.957 11.033 12.977 121 HG LEU 302 HG LEU 302 -3.572 10.245 10.558 122 1HD1 LEU 302 HD11 LEU 302 -3.945 8.101 11.616 123 2HD1 LEU 302 HD12 LEU 302 -2.223 8.279 11.236 124 3HD1 LEU 302 HD13 LEU 302 -2.791 8.484 12.918 125 1HD2 LEU 302 HD21 LEU 302 -4.653 11.585 12.403 126 2HD2 LEU 302 HD22 LEU 302 -5.337 9.956 12.240 127 3HD2 LEU 302 HD23 LEU 302 -4.196 10.312 13.549 128 H MET 303 H MET 303 0.428 12.584 11.778 129 HA MET 303 HA MET 303 0.309 14.065 14.112 130 1HB MET 303 HB2 MET 303 2.542 13.955 12.065 131 2HB MET 303 HB3 MET 303 2.701 14.717 13.651 132 1HG MET 303 HG2 MET 303 1.963 12.579 14.703 133 2HG MET 303 HG3 MET 303 2.092 11.792 13.132 134 1HE MET 303 HE1 MET 303 6.005 12.187 12.468 135 2HE MET 303 HE2 MET 303 4.415 11.930 11.714 136 3HE MET 303 HE3 MET 303 4.925 13.568 12.180 137 H SER 304 H SER 304 0.327 15.464 10.842 138 HA SER 304 HA SER 304 0.946 18.170 11.594 139 1HB SER 304 HB2 SER 304 -0.638 17.181 9.188 140 2HB SER 304 HB3 SER 304 0.104 18.780 9.378 141 HG SER 304 HG SER 304 1.353 16.256 9.108 142 H THR 305 H THR 305 -2.011 16.402 11.952 143 HA THR 305 HA THR 305 -3.949 18.297 11.294 144 HB THR 305 HB THR 305 -4.160 16.150 13.422 145 HG1 THR 305 HG1 THR 305 -3.595 15.087 11.710 146 1HG2 THR 305 HG21 THR 305 -6.226 17.604 11.725 147 2HG2 THR 305 HG22 THR 305 -6.510 16.041 12.514 148 3HG2 THR 305 HG23 THR 305 -6.159 17.454 13.504 149 H GLU 306 H GLU 306 -2.260 18.128 14.475 150 HA GLU 306 HA GLU 306 -4.023 19.950 15.787 151 1HB GLU 306 HB2 GLU 306 -2.255 20.360 17.374 152 2HB GLU 306 HB3 GLU 306 -2.492 18.640 17.065 153 1HG GLU 306 HG2 GLU 306 -0.515 18.557 15.646 154 2HG GLU 306 HG3 GLU 306 -0.387 20.321 15.691 155 H ASN 307 H ASN 307 -1.624 20.675 13.331 156 HA ASN 307 HA ASN 307 -1.688 23.575 13.843 157 1HB ASN 307 HB2 ASN 307 -0.621 21.922 11.508 158 2HB ASN 307 HB3 ASN 307 -0.466 23.664 11.659 159 1HD2 ASN 307 HD22 ASN 307 1.014 24.553 13.212 160 2HD2 ASN 307 HD21 ASN 307 2.201 23.518 13.990 161 H GLU 308 H GLU 308 -3.618 21.255 12.045 162 HA GLU 308 HA GLU 308 -4.870 23.221 10.260 163 1HB GLU 308 HB2 GLU 308 -5.693 20.365 10.955 164 2HB GLU 308 HB3 GLU 308 -6.345 21.354 9.659 165 1HG GLU 308 HG2 GLU 308 -3.469 20.359 9.862 166 2HG GLU 308 HG3 GLU 308 -4.730 19.681 8.847 167 H LEU 309 H LEU 309 -5.661 21.678 13.370 168 HA LEU 309 HA LEU 309 -8.313 22.711 13.642 169 1HB LEU 309 HB2 LEU 309 -6.240 21.509 15.465 170 2HB LEU 309 HB3 LEU 309 -7.552 22.375 16.224 171 HG LEU 309 HG LEU 309 -7.928 19.953 16.086 172 1HD1 LEU 309 HD11 LEU 309 -9.840 21.470 16.284 173 2HD1 LEU 309 HD12 LEU 309 -9.984 21.546 14.514 174 3HD1 LEU 309 HD13 LEU 309 -10.242 20.010 15.359 175 1HD2 LEU 309 HD21 LEU 309 -8.541 18.845 14.038 176 2HD2 LEU 309 HD22 LEU 309 -8.330 20.331 13.093 177 3HD2 LEU 309 HD23 LEU 309 -6.933 19.545 13.849 178 H LYS 310 H LYS 310 -5.479 24.532 13.618 179 HA LYS 310 HA LYS 310 -6.146 26.632 15.495 180 1HB LYS 310 HB2 LYS 310 -4.360 26.627 13.022 181 2HB LYS 310 HB3 LYS 310 -4.463 27.942 14.194 182 1HG LYS 310 HG2 LYS 310 -3.706 26.406 16.005 183 2HG LYS 310 HG3 LYS 310 -3.574 25.097 14.834 184 1HD LYS 310 HD2 LYS 310 -1.369 26.009 15.221 185 2HD LYS 310 HD3 LYS 310 -1.871 26.344 13.569 186 1HE LYS 310 HE2 LYS 310 -0.754 28.289 14.419 187 2HE LYS 310 HE3 LYS 310 -2.458 28.682 14.217 188 1HZ LYS 310 HZ1 LYS 310 -1.582 29.481 16.343 189 2HZ LYS 310 HZ2 LYS 310 -2.737 28.369 16.630 190 3HZ LYS 310 HZ3 LYS 310 -1.158 27.976 16.802 191 H GLY 311 H GLY 311 -7.733 25.842 12.599 192 1HA GLY 311 HA2 GLY 311 -9.162 28.439 12.588 193 2HA GLY 311 HA3 GLY 311 -8.318 27.987 11.110 194 H GLN 312 H GLN 312 -10.745 28.408 10.621 195 HA GLN 312 HA GLN 312 -12.649 26.299 11.252 196 1HB GLN 312 HB2 GLN 312 -12.798 28.741 9.443 197 2HB GLN 312 HB3 GLN 312 -14.166 27.686 9.822 198 1HG GLN 312 HG2 GLN 312 -13.874 28.202 12.242 199 2HG GLN 312 HG3 GLN 312 -12.597 29.352 11.841 200 1HE2 GLN 312 HE22 GLN 312 -15.162 29.932 13.192 201 2HE2 GLN 312 HE21 GLN 312 -15.979 31.086 12.145 202 H GLN 313 H GLN 313 -10.212 26.250 8.986 203 HA GLN 313 HA GLN 313 -11.607 24.253 7.274 204 1HB GLN 313 HB2 GLN 313 -9.854 26.520 6.204 205 2HB GLN 313 HB3 GLN 313 -10.488 25.169 5.284 206 1HG GLN 313 HG2 GLN 313 -11.928 26.875 4.701 207 2HG GLN 313 HG3 GLN 313 -12.840 25.964 5.895 208 1HE2 GLN 313 HE22 GLN 313 -14.187 27.901 6.205 209 2HE2 GLN 313 HE21 GLN 313 -13.558 29.256 7.132 210 H ALA 314 H ALA 314 -10.108 22.855 6.104 211 HA ALA 314 HA ALA 314 -7.312 22.707 7.044 212 1HB ALA 314 HB1 ALA 314 -9.347 20.461 7.438 213 2HB ALA 314 HB2 ALA 314 -7.605 20.359 7.766 214 3HB ALA 314 HB3 ALA 314 -8.623 21.445 8.732 215 H LEU 315 H LEU 315 -6.018 21.240 5.842 216 HA LEU 315 HA LEU 315 -6.376 21.144 3.030 217 1HB LEU 315 HB2 LEU 315 -4.207 21.117 4.253 218 2HB LEU 315 HB3 LEU 315 -4.578 19.508 4.864 219 HG LEU 315 HG LEU 315 -4.530 18.619 2.526 220 1HD1 LEU 315 HD11 LEU 315 -5.070 20.655 1.255 221 2HD1 LEU 315 HD12 LEU 315 -3.587 21.443 1.842 222 3HD1 LEU 315 HD13 LEU 315 -3.492 20.036 0.760 223 1HD2 LEU 315 HD21 LEU 315 -2.089 18.767 2.279 224 2HD2 LEU 315 HD22 LEU 315 -2.043 20.149 3.398 225 3HD2 LEU 315 HD23 LEU 315 -2.540 18.542 3.974 226 1H GLY 586 H1 GLY 586 0.423 7.916 40.336 227 2H GLY 586 H2 GLY 586 0.146 9.521 40.179 228 3H GLY 586 H3 GLY 586 -1.019 8.545 40.792 229 1HA GLY 586 HA2 GLY 586 -1.244 7.390 38.690 230 2HA GLY 586 HA3 GLY 586 -1.576 9.125 38.534 231 H VAL 587 H VAL 587 -0.815 7.426 36.387 232 HA VAL 587 HA VAL 587 1.976 7.652 35.689 233 HB VAL 587 HB VAL 587 -0.407 7.389 33.804 234 1HG1 VAL 587 HG11 VAL 587 1.227 6.199 32.347 235 2HG1 VAL 587 HG12 VAL 587 1.698 7.873 32.593 236 3HG1 VAL 587 HG13 VAL 587 2.526 6.580 33.493 237 1HG2 VAL 587 HG21 VAL 587 1.209 5.220 35.221 238 2HG2 VAL 587 HG22 VAL 587 -0.520 5.567 35.455 239 3HG2 VAL 587 HG23 VAL 587 0.042 4.934 33.912 240 H ARG 588 H ARG 588 3.020 9.033 34.372 241 HA ARG 588 HA ARG 588 2.626 11.794 34.711 242 1HB ARG 588 HB2 ARG 588 4.721 11.985 33.558 243 2HB ARG 588 HB3 ARG 588 4.759 10.561 34.580 244 1HG ARG 588 HG2 ARG 588 4.194 9.173 32.488 245 2HG ARG 588 HG3 ARG 588 4.416 10.646 31.543 246 1HD ARG 588 HD2 ARG 588 6.476 9.453 31.424 247 2HD ARG 588 HD3 ARG 588 6.743 10.841 32.469 248 HE ARG 588 HE ARG 588 7.151 9.418 34.255 249 1HH1 ARG 588 HH11 ARG 588 5.643 7.444 31.749 250 2HH1 ARG 588 HH12 ARG 588 6.011 5.967 32.602 251 1HH2 ARG 588 HH21 ARG 588 7.531 7.496 35.276 252 2HH2 ARG 588 HH22 ARG 588 7.030 6.001 34.546 253 H LYS 589 H LYS 589 0.409 10.716 33.075 254 HA LYS 589 HA LYS 589 0.577 11.648 30.343 255 1HB LYS 589 HB2 LYS 589 -1.713 10.696 32.090 256 2HB LYS 589 HB3 LYS 589 -1.905 11.098 30.382 257 1HG LYS 589 HG2 LYS 589 -0.328 9.374 29.696 258 2HG LYS 589 HG3 LYS 589 0.048 9.002 31.373 259 1HD LYS 589 HD2 LYS 589 -1.552 7.502 31.417 260 2HD LYS 589 HD3 LYS 589 -2.756 8.773 31.276 261 1HE LYS 589 HE2 LYS 589 -1.616 6.974 29.117 262 2HE LYS 589 HE3 LYS 589 -3.276 7.104 29.694 263 1HZ LYS 589 HZ1 LYS 589 -3.118 9.504 28.732 264 2HZ LYS 589 HZ2 LYS 589 -1.812 8.920 27.924 265 3HZ LYS 589 HZ3 LYS 589 -3.274 8.258 27.677 266 H GLY 590 H GLY 590 1.208 13.820 32.147 267 1HA GLY 590 HA2 GLY 590 -0.854 15.811 32.317 268 2HA GLY 590 HA3 GLY 590 0.891 16.091 32.290 269 H TRP 591 H TRP 591 0.925 14.626 29.552 270 HA TRP 591 HA TRP 591 0.930 16.811 27.809 271 1HB TRP 591 HB2 TRP 591 1.200 15.228 26.070 272 2HB TRP 591 HB3 TRP 591 2.044 14.608 27.482 273 HD1 TRP 591 HD1 TRP 591 1.304 12.277 28.393 274 HE1 TRP 591 HE1 TRP 591 -0.138 10.388 27.420 275 HE3 TRP 591 HE3 TRP 591 -1.031 14.869 24.638 276 HZ2 TRP 591 HZ2 TRP 591 -2.298 10.134 25.517 277 HZ3 TRP 591 HZ3 TRP 591 -2.707 13.733 23.199 278 HH2 TRP 591 HH2 TRP 591 -3.377 11.397 23.657 279 H HIS 592 H HIS 592 -1.870 15.066 28.886 280 HA HIS 592 HA HIS 592 -3.673 15.459 26.736 281 1HB HIS 592 HB2 HIS 592 -4.081 15.312 29.747 282 2HB HIS 592 HB3 HIS 592 -5.398 15.359 28.586 283 HD1 HIS 592 HD1 HIS 592 -6.373 12.997 28.783 284 HD2 HIS 592 HD2 HIS 592 -2.200 13.069 28.235 285 HE1 HIS 592 HE1 HIS 592 -5.649 10.575 28.536 286 H GLU 593 H GLU 593 -2.378 17.837 28.988 287 HA GLU 593 HA GLU 593 -4.312 19.915 28.741 288 1HB GLU 593 HB2 GLU 593 -1.293 19.931 29.137 289 2HB GLU 593 HB3 GLU 593 -2.290 21.372 29.255 290 1HG GLU 593 HG2 GLU 593 -2.650 18.910 31.018 291 2HG GLU 593 HG3 GLU 593 -1.715 20.333 31.455 292 H HIS 594 H HIS 594 -2.081 18.708 26.324 293 HA HIS 594 HA HIS 594 -2.225 21.173 24.697 294 1HB HIS 594 HB2 HIS 594 -0.896 18.517 24.075 295 2HB HIS 594 HB3 HIS 594 -0.630 20.058 23.260 296 HD1 HIS 594 HD1 HIS 594 0.258 22.057 25.330 297 HD2 HIS 594 HD2 HIS 594 1.024 17.937 25.663 298 HE1 HIS 594 HE1 HIS 594 2.206 21.827 26.958 299 H VAL 595 H VAL 595 -4.428 18.827 25.181 300 HA VAL 595 HA VAL 595 -5.229 18.475 22.314 301 HB VAL 595 HB VAL 595 -6.004 16.764 24.707 302 1HG1 VAL 595 HG11 VAL 595 -6.494 15.063 22.928 303 2HG1 VAL 595 HG12 VAL 595 -7.569 16.451 22.873 304 3HG1 VAL 595 HG13 VAL 595 -6.236 16.309 21.698 305 1HG2 VAL 595 HG21 VAL 595 -3.563 16.553 24.377 306 2HG2 VAL 595 HG22 VAL 595 -4.407 15.094 23.881 307 3HG2 VAL 595 HG23 VAL 595 -3.822 16.234 22.645 308 H THR 596 H THR 596 -7.443 18.610 21.744 309 HA THR 596 HA THR 596 -9.370 19.782 23.695 310 HB THR 596 HB THR 596 -10.273 21.245 21.970 311 HG1 THR 596 HG1 THR 596 -9.046 21.538 20.044 312 1HG2 THR 596 HG21 THR 596 -8.548 22.935 21.837 313 2HG2 THR 596 HG22 THR 596 -8.457 22.154 23.425 314 3HG2 THR 596 HG23 THR 596 -7.273 21.741 22.163 315 H GLN 597 H GLN 597 -11.625 19.341 23.151 316 HA GLN 597 HA GLN 597 -12.096 16.709 22.199 317 1HB GLN 597 HB2 GLN 597 -13.552 18.053 23.741 318 2HB GLN 597 HB3 GLN 597 -14.104 18.990 22.338 319 1HG GLN 597 HG2 GLN 597 -14.989 16.918 21.302 320 2HG GLN 597 HG3 GLN 597 -14.391 15.962 22.658 321 1HE2 GLN 597 HE22 GLN 597 -17.098 15.863 21.901 322 2HE2 GLN 597 HE21 GLN 597 -18.046 16.634 23.168 323 H ASP 598 H ASP 598 -12.178 19.818 20.443 324 HA ASP 598 HA ASP 598 -13.260 18.845 17.979 325 1HB ASP 598 HB2 ASP 598 -11.296 21.111 18.508 326 2HB ASP 598 HB3 ASP 598 -12.159 20.835 16.995 327 H LEU 599 H LEU 599 -9.862 18.918 19.190 328 HA LEU 599 HA LEU 599 -8.743 17.789 16.791 329 1HB LEU 599 HB2 LEU 599 -7.441 19.034 18.508 330 2HB LEU 599 HB3 LEU 599 -7.694 17.707 19.647 331 HG LEU 599 HG LEU 599 -6.385 16.182 18.263 332 1HD1 LEU 599 HD11 LEU 599 -6.831 16.999 15.991 333 2HD1 LEU 599 HD12 LEU 599 -6.016 18.540 16.358 334 3HD1 LEU 599 HD13 LEU 599 -5.099 17.022 16.301 335 1HD2 LEU 599 HD21 LEU 599 -4.195 17.258 18.521 336 2HD2 LEU 599 HD22 LEU 599 -4.970 18.853 18.655 337 3HD2 LEU 599 HD23 LEU 599 -5.229 17.622 19.909 338 H ARG 600 H ARG 600 -9.909 16.263 19.855 339 HA ARG 600 HA ARG 600 -9.388 13.540 19.159 340 1HB ARG 600 HB2 ARG 600 -11.781 14.640 20.705 341 2HB ARG 600 HB3 ARG 600 -11.265 12.970 20.682 342 1HG ARG 600 HG2 ARG 600 -9.637 15.286 21.809 343 2HG ARG 600 HG3 ARG 600 -10.636 14.198 22.748 344 1HD ARG 600 HD2 ARG 600 -8.182 13.447 21.116 345 2HD ARG 600 HD3 ARG 600 -8.234 13.622 22.868 346 HE ARG 600 HE ARG 600 -8.974 11.285 21.373 347 1HH1 ARG 600 HH21 ARG 600 -9.740 12.904 24.400 348 2HH1 ARG 600 HH22 ARG 600 -10.451 11.465 25.066 349 1HH2 ARG 600 HH11 ARG 600 -10.070 9.641 22.172 350 2HH2 ARG 600 HH12 ARG 600 -10.608 9.625 23.850 351 H SER 601 H SER 601 -12.382 15.421 18.491 352 HA SER 601 HA SER 601 -13.785 13.495 16.989 353 1HB SER 601 HB2 SER 601 -13.635 16.509 16.591 354 2HB SER 601 HB3 SER 601 -14.873 15.451 15.884 355 HG SER 601 HG SER 601 -15.601 16.410 17.844 356 H HIS 602 H HIS 602 -11.505 16.001 15.746 357 HA HIS 602 HA HIS 602 -11.771 15.128 13.018 358 1HB HIS 602 HB2 HIS 602 -11.152 17.404 13.810 359 2HB HIS 602 HB3 HIS 602 -9.598 16.784 14.328 360 HD1 HIS 602 HD1 HIS 602 -11.064 18.544 11.514 361 HD2 HIS 602 HD2 HIS 602 -8.419 15.302 11.897 362 HE1 HIS 602 HE1 HIS 602 -9.900 18.300 9.259 363 H LEU 603 H LEU 603 -9.327 14.252 15.582 364 HA LEU 603 HA LEU 603 -7.747 12.632 13.774 365 1HB LEU 603 HB2 LEU 603 -8.086 12.563 16.776 366 2HB LEU 603 HB3 LEU 603 -7.026 11.474 15.897 367 HG LEU 603 HG LEU 603 -6.675 14.366 16.553 368 1HD1 LEU 603 HD11 LEU 603 -4.657 12.129 16.158 369 2HD1 LEU 603 HD12 LEU 603 -4.426 13.678 17.006 370 3HD1 LEU 603 HD13 LEU 603 -5.505 12.454 17.680 371 1HD2 LEU 603 HD21 LEU 603 -4.942 14.708 14.871 372 2HD2 LEU 603 HD22 LEU 603 -5.375 13.183 14.069 373 3HD2 LEU 603 HD23 LEU 603 -6.533 14.540 14.128 374 H VAL 604 H VAL 604 -10.681 11.807 15.707 375 HA VAL 604 HA VAL 604 -10.763 9.036 14.912 376 HB VAL 604 HB VAL 604 -12.972 11.011 15.587 377 1HG1 VAL 604 HG11 VAL 604 -13.313 8.029 15.049 378 2HG1 VAL 604 HG12 VAL 604 -14.538 9.142 15.707 379 3HG1 VAL 604 HG13 VAL 604 -13.987 9.345 14.058 380 1HG2 VAL 604 HG21 VAL 604 -13.170 9.658 17.618 381 2HG2 VAL 604 HG22 VAL 604 -11.900 8.558 17.034 382 3HG2 VAL 604 HG23 VAL 604 -11.516 10.244 17.444 383 H HIS 605 H HIS 605 -12.129 11.964 13.316 384 HA HIS 605 HA HIS 605 -13.061 10.692 10.970 385 1HB HIS 605 HB2 HIS 605 -13.798 12.867 11.299 386 2HB HIS 605 HB3 HIS 605 -12.217 13.477 11.713 387 HD1 HIS 605 HD1 HIS 605 -10.646 14.329 9.712 388 HD2 HIS 605 HD2 HIS 605 -14.392 12.741 8.676 389 HE1 HIS 605 HE1 HIS 605 -10.984 14.872 7.245 390 H LYS 606 H LYS 606 -9.822 12.079 11.559 391 HA LYS 606 HA LYS 606 -8.710 11.434 9.013 392 1HB LYS 606 HB2 LYS 606 -7.823 13.022 10.886 393 2HB LYS 606 HB3 LYS 606 -7.146 11.573 11.614 394 1HG LYS 606 HG2 LYS 606 -5.359 12.437 10.334 395 2HG LYS 606 HG3 LYS 606 -6.002 11.166 9.303 396 1HD LYS 606 HD2 LYS 606 -5.648 13.006 7.855 397 2HD LYS 606 HD3 LYS 606 -7.386 13.036 8.144 398 1HE LYS 606 HE2 LYS 606 -7.195 15.174 8.884 399 2HE LYS 606 HE3 LYS 606 -6.296 14.559 10.263 400 1HZ LYS 606 HZ1 LYS 606 -4.950 16.148 9.228 401 2HZ LYS 606 HZ2 LYS 606 -4.260 14.731 8.872 402 3HZ LYS 606 HZ3 LYS 606 -5.130 15.518 7.714 403 H LEU 607 H LEU 607 -8.845 9.551 12.007 404 HA LEU 607 HA LEU 607 -7.468 7.232 11.132 405 1HB LEU 607 HB2 LEU 607 -9.161 7.982 13.373 406 2HB LEU 607 HB3 LEU 607 -9.757 6.479 12.731 407 HG LEU 607 HG LEU 607 -7.529 5.440 13.043 408 1HD1 LEU 607 HD11 LEU 607 -6.083 7.483 12.950 409 2HD1 LEU 607 HD12 LEU 607 -6.808 8.041 14.466 410 3HD1 LEU 607 HD13 LEU 607 -5.842 6.546 14.437 411 1HD2 LEU 607 HD21 LEU 607 -8.650 6.786 15.507 412 2HD2 LEU 607 HD22 LEU 607 -9.270 5.290 14.774 413 3HD2 LEU 607 HD23 LEU 607 -7.646 5.320 15.477 414 H VAL 608 H VAL 608 -11.001 7.889 11.043 415 HA VAL 608 HA VAL 608 -11.803 5.617 9.612 416 HB VAL 608 HB VAL 608 -13.042 8.386 9.741 417 1HG1 VAL 608 HG11 VAL 608 -14.242 5.783 8.737 418 2HG1 VAL 608 HG12 VAL 608 -15.165 7.265 9.083 419 3HG1 VAL 608 HG13 VAL 608 -13.988 7.260 7.770 420 1HG2 VAL 608 HG21 VAL 608 -12.832 7.028 11.887 421 2HG2 VAL 608 HG22 VAL 608 -14.483 7.406 11.417 422 3HG2 VAL 608 HG23 VAL 608 -13.821 5.779 11.122 423 H GLN 609 H GLN 609 -10.838 8.780 8.185 424 HA GLN 609 HA GLN 609 -11.398 8.166 5.476 425 1HB GLN 609 HB2 GLN 609 -9.221 9.902 6.706 426 2HB GLN 609 HB3 GLN 609 -9.576 9.881 4.987 427 1HG GLN 609 HG2 GLN 609 -11.655 10.630 7.081 428 2HG GLN 609 HG3 GLN 609 -10.593 11.790 6.299 429 1HE2 GLN 609 HE21 GLN 609 -13.010 12.540 5.919 430 2HE2 GLN 609 HE22 GLN 609 -13.671 12.020 4.367 431 H ALA 610 H ALA 610 -8.424 7.468 7.344 432 HA ALA 610 HA ALA 610 -7.034 6.272 5.064 433 1HB ALA 610 HB1 ALA 610 -5.769 7.348 6.825 434 2HB ALA 610 HB2 ALA 610 -6.537 6.313 8.045 435 3HB ALA 610 HB3 ALA 610 -5.417 5.601 6.867 436 H ILE 611 H ILE 611 -8.821 5.044 7.928 437 HA ILE 611 HA ILE 611 -8.319 2.276 7.625 438 HB ILE 611 HB ILE 611 -10.626 3.808 8.857 439 1HG1 ILE 611 HG12 ILE 611 -8.388 2.190 10.156 440 2HG1 ILE 611 HG13 ILE 611 -8.250 3.887 9.840 441 1HG2 ILE 611 HG21 ILE 611 -10.135 0.813 9.183 442 2HG2 ILE 611 HG22 ILE 611 -11.411 1.792 9.945 443 3HG2 ILE 611 HG23 ILE 611 -11.437 1.511 8.217 444 1HD1 ILE 611 HD11 ILE 611 -10.250 2.596 11.733 445 2HD1 ILE 611 HD12 ILE 611 -8.862 3.606 12.146 446 3HD1 ILE 611 HD13 ILE 611 -10.252 4.319 11.303 447 H PHE 612 H PHE 612 -11.094 4.194 6.271 448 HA PHE 612 HA PHE 612 -11.050 2.306 3.987 449 1HB PHE 612 HB2 PHE 612 -12.773 1.438 5.383 450 2HB PHE 612 HB3 PHE 612 -13.491 3.031 5.567 451 HD1 PHE 612 HD1 PHE 612 -15.568 1.706 5.030 452 HD2 PHE 612 HD2 PHE 612 -12.481 2.388 2.093 453 HE1 PHE 612 HE1 PHE 612 -17.214 1.399 3.204 454 HE2 PHE 612 HE2 PHE 612 -14.127 2.153 0.290 455 HZ PHE 612 HZ PHE 612 -16.505 1.626 0.851 456 HA PRO 613 HA PRO 613 -11.276 6.545 2.228 457 1HB PRO 613 HB2 PRO 613 -9.896 6.010 -0.064 458 2HB PRO 613 HB3 PRO 613 -9.102 6.365 1.498 459 1HG PRO 613 HG2 PRO 613 -9.550 3.678 0.202 460 2HG PRO 613 HG3 PRO 613 -8.106 4.274 1.074 461 1HD PRO 613 HD2 PRO 613 -10.086 2.663 2.163 462 2HD PRO 613 HD3 PRO 613 -9.044 3.703 3.146 463 H THR 614 H THR 614 -13.469 6.427 1.997 464 HA THR 614 HA THR 614 -15.010 4.480 0.870 465 HB THR 614 HB THR 614 -16.771 6.386 0.609 466 HG1 THR 614 HG1 THR 614 -15.226 8.085 0.564 467 1HG2 THR 614 HG21 THR 614 -17.119 6.419 3.014 468 2HG2 THR 614 HG22 THR 614 -16.632 4.797 2.511 469 3HG2 THR 614 HG23 THR 614 -15.452 5.866 3.300 470 HA PRO 615 HA PRO 615 -14.878 4.731 -3.481 471 1HB PRO 615 HB2 PRO 615 -17.299 3.678 -4.253 472 2HB PRO 615 HB3 PRO 615 -16.021 2.714 -3.452 473 1HG PRO 615 HG2 PRO 615 -18.394 4.036 -2.125 474 2HG PRO 615 HG3 PRO 615 -17.858 2.325 -1.997 475 1HD PRO 615 HD2 PRO 615 -17.090 4.093 -0.119 476 2HD PRO 615 HD3 PRO 615 -15.918 2.923 -0.794 477 H ASP 616 H ASP 616 -17.512 6.340 -1.820 478 HA ASP 616 HA ASP 616 -17.883 8.471 -3.807 479 1HB ASP 616 HB2 ASP 616 -19.240 6.443 -4.543 480 2HB ASP 616 HB3 ASP 616 -20.095 6.547 -3.003 481 HA PRO 617 HA PRO 617 -18.736 10.379 0.109 482 1HB PRO 617 HB2 PRO 617 -20.248 12.621 -0.581 483 2HB PRO 617 HB3 PRO 617 -18.474 12.456 -0.711 484 1HG PRO 617 HG2 PRO 617 -20.546 12.214 -2.861 485 2HG PRO 617 HG3 PRO 617 -18.885 12.868 -2.973 486 1HD PRO 617 HD2 PRO 617 -19.673 10.368 -3.825 487 2HD PRO 617 HD3 PRO 617 -18.006 10.691 -3.362 488 H ALA 618 H ALA 618 -21.459 9.143 -1.702 489 HA ALA 618 HA ALA 618 -23.352 9.421 0.516 490 1HB ALA 618 HB1 ALA 618 -24.706 7.855 -0.790 491 2HB ALA 618 HB2 ALA 618 -24.077 9.142 -1.837 492 3HB ALA 618 HB3 ALA 618 -23.337 7.524 -1.871 493 H ALA 619 H ALA 619 -20.794 7.095 -0.357 494 HA ALA 619 HA ALA 619 -21.675 4.937 1.326 495 1HB ALA 619 HB1 ALA 619 -20.107 4.688 -0.600 496 2HB ALA 619 HB2 ALA 619 -18.870 5.572 0.314 497 3HB ALA 619 HB3 ALA 619 -19.457 4.010 0.901 498 H LEU 620 H LEU 620 -19.847 7.878 2.013 499 HA LEU 620 HA LEU 620 -18.797 7.316 4.581 500 1HB LEU 620 HB2 LEU 620 -19.934 9.838 3.330 501 2HB LEU 620 HB3 LEU 620 -19.173 9.833 4.901 502 HG LEU 620 HG LEU 620 -17.722 8.933 2.390 503 1HD1 LEU 620 HD11 LEU 620 -18.410 11.315 2.226 504 2HD1 LEU 620 HD12 LEU 620 -17.648 11.639 3.794 505 3HD1 LEU 620 HD13 LEU 620 -16.657 11.140 2.404 506 1HD2 LEU 620 HD21 LEU 620 -15.704 9.330 3.768 507 2HD2 LEU 620 HD22 LEU 620 -16.716 9.802 5.152 508 3HD2 LEU 620 HD23 LEU 620 -16.736 8.133 4.552 509 H LYS 621 H LYS 621 -22.118 7.724 3.613 510 HA LYS 621 HA LYS 621 -23.040 8.378 6.368 511 1HB LYS 621 HB2 LYS 621 -24.520 8.460 3.709 512 2HB LYS 621 HB3 LYS 621 -25.095 9.095 5.253 513 1HG LYS 621 HG2 LYS 621 -23.243 10.738 5.289 514 2HG LYS 621 HG3 LYS 621 -22.657 10.129 3.729 515 1HD LYS 621 HD2 LYS 621 -24.856 10.686 2.699 516 2HD LYS 621 HD3 LYS 621 -25.376 11.418 4.221 517 1HE LYS 621 HE2 LYS 621 -22.941 12.276 2.581 518 2HE LYS 621 HE3 LYS 621 -24.531 13.040 2.490 519 1HZ LYS 621 HZ1 LYS 621 -23.110 14.269 3.990 520 2HZ LYS 621 HZ2 LYS 621 -24.320 13.609 4.860 521 3HZ LYS 621 HZ3 LYS 621 -22.818 12.961 4.916 522 H ASP 622 H ASP 622 -22.762 5.554 4.555 523 HA ASP 622 HA ASP 622 -25.268 4.271 5.147 524 1HB ASP 622 HB2 ASP 622 -23.509 3.659 3.383 525 2HB ASP 622 HB3 ASP 622 -22.597 2.894 4.685 526 H ARG 623 H ARG 623 -25.752 2.631 6.735 527 HA ARG 623 HA ARG 623 -24.775 3.154 9.417 528 1HB ARG 623 HB2 ARG 623 -26.288 0.666 8.531 529 2HB ARG 623 HB3 ARG 623 -26.242 1.407 10.129 530 1HG ARG 623 HG2 ARG 623 -27.692 2.358 7.644 531 2HG ARG 623 HG3 ARG 623 -28.380 1.916 9.200 532 1HD ARG 623 HD2 ARG 623 -26.598 4.327 8.672 533 2HD ARG 623 HD3 ARG 623 -28.357 4.395 8.724 534 HE ARG 623 HE ARG 623 -26.518 4.241 11.019 535 1HH1 ARG 623 HH21 ARG 623 -29.890 3.716 10.143 536 2HH1 ARG 623 HH22 ARG 623 -30.405 3.954 11.793 537 1HH2 ARG 623 HH11 ARG 623 -27.185 4.526 12.928 538 2HH2 ARG 623 HH12 ARG 623 -28.890 4.416 13.390 539 H ARG 624 H ARG 624 -23.829 0.960 6.959 540 HA ARG 624 HA ARG 624 -22.085 -0.788 8.545 541 1HB ARG 624 HB2 ARG 624 -22.034 -0.080 5.587 542 2HB ARG 624 HB3 ARG 624 -21.130 -1.400 6.335 543 1HG ARG 624 HG2 ARG 624 -23.118 -2.634 6.856 544 2HG ARG 624 HG3 ARG 624 -24.169 -1.256 6.521 545 1HD ARG 624 HD2 ARG 624 -23.356 -1.313 4.114 546 2HD ARG 624 HD3 ARG 624 -22.552 -2.838 4.504 547 HE ARG 624 HE ARG 624 -24.598 -3.926 4.498 548 1HH1 ARG 624 HH11 ARG 624 -25.320 -0.454 4.569 549 2HH1 ARG 624 HH12 ARG 624 -26.986 -0.743 4.153 550 1HH2 ARG 624 HH21 ARG 624 -26.753 -4.165 4.054 551 2HH2 ARG 624 HH22 ARG 624 -27.783 -2.769 3.934 552 H MET 625 H MET 625 -21.626 2.330 6.915 553 HA MET 625 HA MET 625 -18.783 2.498 7.581 554 1HB MET 625 HB2 MET 625 -19.969 3.696 5.631 555 2HB MET 625 HB3 MET 625 -20.620 4.805 6.846 556 1HG MET 625 HG2 MET 625 -18.655 5.813 5.989 557 2HG MET 625 HG3 MET 625 -18.228 5.231 7.590 558 1HE MET 625 HE1 MET 625 -15.939 6.126 5.682 559 2HE MET 625 HE2 MET 625 -15.768 5.379 7.282 560 3HE MET 625 HE3 MET 625 -14.794 4.783 5.920 561 H GLU 626 H GLU 626 -21.847 3.780 9.018 562 HA GLU 626 HA GLU 626 -20.717 5.102 11.215 563 1HB GLU 626 HB2 GLU 626 -23.073 5.210 10.506 564 2HB GLU 626 HB3 GLU 626 -23.327 3.569 11.116 565 1HG GLU 626 HG2 GLU 626 -22.868 4.262 13.385 566 2HG GLU 626 HG3 GLU 626 -22.366 5.875 12.845 567 H ASN 627 H ASN 627 -21.390 1.607 10.914 568 HA ASN 627 HA ASN 627 -20.460 0.844 13.534 569 1HB ASN 627 HB2 ASN 627 -20.433 -0.676 10.895 570 2HB ASN 627 HB3 ASN 627 -20.036 -1.385 12.452 571 1HD2 ASN 627 HD22 ASN 627 -22.138 -2.316 10.763 572 2HD2 ASN 627 HD21 ASN 627 -23.634 -2.061 11.649 573 H LEU 628 H LEU 628 -18.655 1.342 10.473 574 HA LEU 628 HA LEU 628 -16.097 0.629 11.549 575 1HB LEU 628 HB2 LEU 628 -16.781 0.747 9.103 576 2HB LEU 628 HB3 LEU 628 -16.716 2.503 9.236 577 HG LEU 628 HG LEU 628 -14.270 2.294 9.916 578 1HD1 LEU 628 HD11 LEU 628 -14.277 -0.093 10.620 579 2HD1 LEU 628 HD12 LEU 628 -14.731 -0.564 8.964 580 3HD1 LEU 628 HD13 LEU 628 -13.147 0.159 9.291 581 1HD2 LEU 628 HD21 LEU 628 -13.536 1.857 7.615 582 2HD2 LEU 628 HD22 LEU 628 -15.118 1.149 7.230 583 3HD2 LEU 628 HD23 LEU 628 -14.979 2.875 7.642 584 H VAL 629 H VAL 629 -17.780 3.730 11.275 585 HA VAL 629 HA VAL 629 -15.830 5.470 12.424 586 HB VAL 629 HB VAL 629 -18.830 5.474 12.165 587 1HG1 VAL 629 HG11 VAL 629 -18.548 6.723 14.212 588 2HG1 VAL 629 HG12 VAL 629 -17.276 7.726 13.455 589 3HG1 VAL 629 HG13 VAL 629 -18.964 7.785 12.872 590 1HG2 VAL 629 HG21 VAL 629 -17.351 5.917 10.179 591 2HG2 VAL 629 HG22 VAL 629 -18.451 7.242 10.578 592 3HG2 VAL 629 HG23 VAL 629 -16.740 7.353 11.024 593 H ALA 630 H ALA 630 -18.371 3.515 14.068 594 HA ALA 630 HA ALA 630 -17.644 4.301 16.728 595 1HB ALA 630 HB1 ALA 630 -19.824 3.317 16.115 596 2HB ALA 630 HB2 ALA 630 -19.030 1.775 15.726 597 3HB ALA 630 HB3 ALA 630 -19.025 2.381 17.395 598 H TYR 631 H TYR 631 -16.607 1.513 14.714 599 HA TYR 631 HA TYR 631 -14.760 0.325 16.534 600 1HB TYR 631 HB2 TYR 631 -15.304 -0.945 14.689 601 2HB TYR 631 HB3 TYR 631 -15.211 0.390 13.573 602 HD1 TYR 631 HD1 TYR 631 -13.238 -2.267 15.243 603 HD2 TYR 631 HD2 TYR 631 -13.124 1.128 12.553 604 HE1 TYR 631 HE1 TYR 631 -11.066 -2.980 14.390 605 HE2 TYR 631 HE2 TYR 631 -10.916 0.368 11.712 606 HH TYR 631 HH TYR 631 -9.282 -1.204 11.850 607 H ALA 632 H ALA 632 -14.193 2.954 14.114 608 HA ALA 632 HA ALA 632 -11.469 3.423 14.823 609 1HB ALA 632 HB1 ALA 632 -12.520 4.209 12.745 610 2HB ALA 632 HB2 ALA 632 -13.545 5.326 13.674 611 3HB ALA 632 HB3 ALA 632 -11.786 5.550 13.648 612 H LYS 633 H LYS 633 -14.499 4.891 16.179 613 HA LYS 633 HA LYS 633 -13.185 6.623 18.068 614 1HB LYS 633 HB2 LYS 633 -15.898 5.245 18.105 615 2HB LYS 633 HB3 LYS 633 -15.350 6.291 19.415 616 1HG LYS 633 HG2 LYS 633 -15.092 8.176 17.908 617 2HG LYS 633 HG3 LYS 633 -15.529 7.176 16.511 618 1HD LYS 633 HD2 LYS 633 -17.781 6.810 17.435 619 2HD LYS 633 HD3 LYS 633 -17.355 7.752 18.883 620 1HE LYS 633 HE2 LYS 633 -16.935 9.745 17.466 621 2HE LYS 633 HE3 LYS 633 -17.348 8.815 16.019 622 1HZ LYS 633 HZ1 LYS 633 -19.239 10.128 16.814 623 2HZ LYS 633 HZ2 LYS 633 -19.600 8.540 16.920 624 3HZ LYS 633 HZ3 LYS 633 -19.214 9.384 18.266 625 H LYS 634 H LYS 634 -14.178 3.205 18.453 626 HA LYS 634 HA LYS 634 -13.232 2.881 21.127 627 1HB LYS 634 HB2 LYS 634 -14.758 1.301 20.046 628 2HB LYS 634 HB3 LYS 634 -13.532 0.861 18.864 629 1HG LYS 634 HG2 LYS 634 -13.750 -0.866 20.543 630 2HG LYS 634 HG3 LYS 634 -12.139 -0.158 20.612 631 1HD LYS 634 HD2 LYS 634 -12.787 1.165 22.610 632 2HD LYS 634 HD3 LYS 634 -14.442 0.522 22.501 633 1HE LYS 634 HE2 LYS 634 -13.548 -1.782 22.794 634 2HE LYS 634 HE3 LYS 634 -11.907 -1.135 22.896 635 1HZ LYS 634 HZ1 LYS 634 -12.581 0.075 24.905 636 2HZ LYS 634 HZ2 LYS 634 -14.099 -0.527 24.810 637 3HZ LYS 634 HZ3 LYS 634 -12.841 -1.523 25.101 638 H VAL 635 H VAL 635 -11.487 2.267 18.036 639 HA VAL 635 HA VAL 635 -8.984 1.561 19.258 640 HB VAL 635 HB VAL 635 -9.580 2.785 16.539 641 1HG1 VAL 635 HG11 VAL 635 -7.242 3.321 17.069 642 2HG1 VAL 635 HG12 VAL 635 -6.951 1.651 17.606 643 3HG1 VAL 635 HG13 VAL 635 -7.293 2.004 15.897 644 1HG2 VAL 635 HG21 VAL 635 -8.807 -0.050 17.380 645 2HG2 VAL 635 HG22 VAL 635 -10.443 0.463 16.936 646 3HG2 VAL 635 HG23 VAL 635 -9.157 0.500 15.728 647 H GLU 636 H GLU 636 -10.088 4.804 18.061 648 HA GLU 636 HA GLU 636 -7.789 6.215 18.781 649 1HB GLU 636 HB2 GLU 636 -9.744 6.971 17.392 650 2HB GLU 636 HB3 GLU 636 -10.644 7.277 18.856 651 1HG GLU 636 HG2 GLU 636 -7.939 8.548 18.211 652 2HG GLU 636 HG3 GLU 636 -9.454 9.250 17.696 653 H GLY 637 H GLY 637 -10.675 5.637 20.834 654 1HA GLY 637 HA2 GLY 637 -9.783 7.001 23.162 655 2HA GLY 637 HA3 GLY 637 -10.956 5.678 23.105 656 H ASP 638 H ASP 638 -8.994 3.693 22.017 657 HA ASP 638 HA ASP 638 -7.893 2.857 24.603 658 1HB ASP 638 HB2 ASP 638 -8.976 1.327 22.910 659 2HB ASP 638 HB3 ASP 638 -7.578 1.573 21.861 660 H MET 639 H MET 639 -6.625 4.127 21.529 661 HA MET 639 HA MET 639 -3.808 3.857 22.206 662 1HB MET 639 HB2 MET 639 -5.184 5.737 20.254 663 2HB MET 639 HB3 MET 639 -3.458 5.384 20.302 664 1HG MET 639 HG2 MET 639 -5.653 3.367 19.671 665 2HG MET 639 HG3 MET 639 -4.689 4.199 18.496 666 1HE MET 639 HE1 MET 639 -3.743 0.358 20.757 667 2HE MET 639 HE2 MET 639 -4.349 1.737 21.688 668 3HE MET 639 HE3 MET 639 -5.315 1.076 20.350 669 H TYR 640 H TYR 640 -6.198 6.499 22.531 670 HA TYR 640 HA TYR 640 -4.559 8.480 23.753 671 1HB TYR 640 HB2 TYR 640 -6.806 8.777 22.791 672 2HB TYR 640 HB3 TYR 640 -7.509 7.804 24.054 673 HD1 TYR 640 HD1 TYR 640 -8.060 8.765 26.202 674 HD2 TYR 640 HD2 TYR 640 -5.794 11.029 23.312 675 HE1 TYR 640 HE1 TYR 640 -8.495 10.859 27.489 676 HE2 TYR 640 HE2 TYR 640 -6.204 13.108 24.610 677 HH TYR 640 HH TYR 640 -7.297 14.053 26.398 678 H GLU 641 H GLU 641 -6.580 5.920 25.308 679 HA GLU 641 HA GLU 641 -5.832 6.514 27.992 680 1HB GLU 641 HB2 GLU 641 -7.783 5.131 27.206 681 2HB GLU 641 HB3 GLU 641 -6.656 3.844 26.783 682 1HG GLU 641 HG2 GLU 641 -7.677 3.314 28.879 683 2HG GLU 641 HG3 GLU 641 -5.994 3.678 29.197 684 H SER 642 H SER 642 -4.123 4.707 25.502 685 HA SER 642 HA SER 642 -2.324 3.366 27.415 686 1HB SER 642 HB2 SER 642 -2.269 3.482 24.376 687 2HB SER 642 HB3 SER 642 -1.237 2.465 25.395 688 HG SER 642 HG SER 642 -4.053 2.360 25.059 689 H ALA 643 H ALA 643 -2.033 6.099 25.138 690 HA ALA 643 HA ALA 643 0.741 6.179 24.987 691 1HB ALA 643 HB1 ALA 643 -1.323 8.366 24.622 692 2HB ALA 643 HB2 ALA 643 0.353 8.415 24.027 693 3HB ALA 643 HB3 ALA 643 -0.783 7.193 23.412 694 H ASN 644 H ASN 644 2.303 6.686 26.288 695 HA ASN 644 HA ASN 644 2.110 8.139 28.778 696 1HB ASN 644 HB2 ASN 644 3.733 6.346 28.320 697 2HB ASN 644 HB3 ASN 644 4.430 7.261 26.988 698 1HD2 ASN 644 HD22 ASN 644 6.125 8.648 27.431 699 2HD2 ASN 644 HD21 ASN 644 6.661 9.006 29.061 700 H SER 645 H SER 645 2.584 9.240 25.458 701 HA SER 645 HA SER 645 2.845 12.048 26.357 702 1HB SER 645 HB2 SER 645 4.784 12.506 25.043 703 2HB SER 645 HB3 SER 645 5.165 11.145 26.106 704 HG SER 645 HG SER 645 5.885 10.692 24.025 705 H ARG 646 H ARG 646 2.622 13.600 24.572 706 HA ARG 646 HA ARG 646 0.457 13.176 22.770 707 1HB ARG 646 HB2 ARG 646 1.311 15.380 23.621 708 2HB ARG 646 HB3 ARG 646 2.759 15.173 22.652 709 1HG ARG 646 HG2 ARG 646 0.670 14.920 20.757 710 2HG ARG 646 HG3 ARG 646 0.055 16.101 21.902 711 1HD ARG 646 HD2 ARG 646 1.200 17.335 20.232 712 2HD ARG 646 HD3 ARG 646 2.239 17.374 21.645 713 HE ARG 646 HE ARG 646 3.722 15.733 20.591 714 1HH1 ARG 646 HH11 ARG 646 1.410 17.115 18.270 715 2HH1 ARG 646 HH12 ARG 646 2.352 16.496 16.940 716 1HH2 ARG 646 HH21 ARG 646 4.836 15.195 18.925 717 2HH2 ARG 646 HH22 ARG 646 4.289 15.491 17.276 718 H ASP 647 H ASP 647 3.964 12.985 22.207 719 HA ASP 647 HA ASP 647 3.847 12.424 19.390 720 1HB ASP 647 HB2 ASP 647 5.926 12.025 21.575 721 2HB ASP 647 HB3 ASP 647 6.180 11.436 19.937 722 H GLU 648 H GLU 648 3.992 10.260 22.282 723 HA GLU 648 HA GLU 648 4.019 7.830 20.739 724 1HB GLU 648 HB2 GLU 648 4.784 8.038 23.095 725 2HB GLU 648 HB3 GLU 648 3.099 8.241 23.610 726 1HG GLU 648 HG2 GLU 648 2.545 6.007 22.747 727 2HG GLU 648 HG3 GLU 648 4.167 5.830 22.068 728 H TYR 649 H TYR 649 1.356 9.825 22.028 729 HA TYR 649 HA TYR 649 -0.825 8.089 21.449 730 1HB TYR 649 HB2 TYR 649 -1.189 9.950 22.837 731 2HB TYR 649 HB3 TYR 649 -0.425 11.060 21.737 732 HD1 TYR 649 HD1 TYR 649 -1.759 12.520 20.568 733 HD2 TYR 649 HD2 TYR 649 -3.377 8.697 21.746 734 HE1 TYR 649 HE1 TYR 649 -3.989 13.230 19.788 735 HE2 TYR 649 HE2 TYR 649 -5.638 9.426 20.974 736 HH TYR 649 HH TYR 649 -6.909 11.133 20.134 737 H TYR 650 H TYR 650 0.152 10.909 19.404 738 HA TYR 650 HA TYR 650 -1.084 10.097 17.032 739 1HB TYR 650 HB2 TYR 650 1.527 11.568 17.544 740 2HB TYR 650 HB3 TYR 650 1.043 11.127 15.924 741 HD1 TYR 650 HD1 TYR 650 0.723 13.662 18.382 742 HD2 TYR 650 HD2 TYR 650 -1.351 11.714 15.150 743 HE1 TYR 650 HE1 TYR 650 -0.687 15.699 18.058 744 HE2 TYR 650 HE2 TYR 650 -2.757 13.742 14.816 745 HH TYR 650 HH TYR 650 -2.331 16.670 16.843 746 H HIS 651 H HIS 651 2.184 8.975 18.124 747 HA HIS 651 HA HIS 651 2.678 7.397 15.813 748 1HB HIS 651 HB2 HIS 651 4.403 8.036 17.430 749 2HB HIS 651 HB3 HIS 651 3.665 6.998 18.653 750 HD1 HIS 651 HD1 HIS 651 5.073 6.451 15.030 751 HD2 HIS 651 HD2 HIS 651 4.772 4.666 18.847 752 HE1 HIS 651 HE1 HIS 651 6.351 4.252 14.904 753 H LEU 652 H LEU 652 1.050 6.416 18.882 754 HA LEU 652 HA LEU 652 0.598 3.683 18.125 755 1HB LEU 652 HB2 LEU 652 -0.652 5.603 20.120 756 2HB LEU 652 HB3 LEU 652 -1.301 3.995 19.902 757 HG LEU 652 HG LEU 652 1.597 4.494 20.677 758 1HD1 LEU 652 HD11 LEU 652 0.050 5.314 22.408 759 2HD1 LEU 652 HD12 LEU 652 -0.825 3.767 22.388 760 3HD1 LEU 652 HD13 LEU 652 0.865 3.839 22.948 761 1HD2 LEU 652 HD21 LEU 652 -0.145 1.987 20.725 762 2HD2 LEU 652 HD22 LEU 652 1.240 2.278 19.649 763 3HD2 LEU 652 HD23 LEU 652 1.501 2.116 21.386 764 H LEU 653 H LEU 653 -1.490 6.592 17.772 765 HA LEU 653 HA LEU 653 -3.679 5.320 16.430 766 1HB LEU 653 HB2 LEU 653 -2.479 8.111 16.135 767 2HB LEU 653 HB3 LEU 653 -3.967 7.613 15.357 768 HG LEU 653 HG LEU 653 -3.556 7.720 18.374 769 1HD1 LEU 653 HD11 LEU 653 -4.972 9.591 16.423 770 2HD1 LEU 653 HD12 LEU 653 -5.072 9.701 18.186 771 3HD1 LEU 653 HD13 LEU 653 -3.518 9.957 17.382 772 1HD2 LEU 653 HD21 LEU 653 -6.139 7.425 16.795 773 2HD2 LEU 653 HD22 LEU 653 -5.329 6.093 17.639 774 3HD2 LEU 653 HD23 LEU 653 -5.930 7.474 18.562 775 H ALA 654 H ALA 654 -0.779 6.908 15.041 776 HA ALA 654 HA ALA 654 -1.335 6.282 12.353 777 1HB ALA 654 HB1 ALA 654 0.977 6.984 11.962 778 2HB ALA 654 HB2 ALA 654 0.147 8.095 13.071 779 3HB ALA 654 HB3 ALA 654 1.312 6.909 13.705 780 H GLU 655 H GLU 655 0.485 4.363 14.790 781 HA GLU 655 HA GLU 655 1.540 2.369 13.033 782 1HB GLU 655 HB2 GLU 655 2.341 2.743 15.323 783 2HB GLU 655 HB3 GLU 655 0.768 2.273 15.977 784 1HG GLU 655 HG2 GLU 655 1.137 -0.033 14.963 785 2HG GLU 655 HG3 GLU 655 2.759 0.497 14.512 786 H LYS 656 H LYS 656 -1.492 2.351 14.995 787 HA LYS 656 HA LYS 656 -2.455 -0.200 13.978 788 1HB LYS 656 HB2 LYS 656 -3.616 2.126 15.530 789 2HB LYS 656 HB3 LYS 656 -4.733 0.998 14.760 790 1HG LYS 656 HG2 LYS 656 -4.185 0.428 17.127 791 2HG LYS 656 HG3 LYS 656 -3.937 -0.843 15.909 792 1HD LYS 656 HD2 LYS 656 -1.652 -0.801 16.040 793 2HD LYS 656 HD3 LYS 656 -1.588 0.805 16.819 794 1HE LYS 656 HE2 LYS 656 -2.403 -0.063 18.890 795 2HE LYS 656 HE3 LYS 656 -2.758 -1.645 18.179 796 1HZ LYS 656 HZ1 LYS 656 -0.438 -2.066 17.930 797 2HZ LYS 656 HZ2 LYS 656 0.012 -0.546 18.263 798 3HZ LYS 656 HZ3 LYS 656 -0.602 -1.502 19.453 799 H ILE 657 H ILE 657 -2.965 3.134 12.964 800 HA ILE 657 HA ILE 657 -4.569 2.665 10.664 801 HB ILE 657 HB ILE 657 -2.594 4.734 11.569 802 1HG1 ILE 657 HG12 ILE 657 -5.005 4.483 12.385 803 2HG1 ILE 657 HG13 ILE 657 -4.449 6.080 11.911 804 1HG2 ILE 657 HG21 ILE 657 -3.743 4.759 8.773 805 2HG2 ILE 657 HG22 ILE 657 -3.120 6.193 9.621 806 3HG2 ILE 657 HG23 ILE 657 -2.042 4.841 9.280 807 1HD1 ILE 657 HD11 ILE 657 -6.783 5.197 11.066 808 2HD1 ILE 657 HD12 ILE 657 -5.722 6.100 9.975 809 3HD1 ILE 657 HD13 ILE 657 -5.850 4.323 9.861 810 H TYR 658 H TYR 658 -0.950 2.328 11.043 811 HA TYR 658 HA TYR 658 -0.596 1.901 8.271 812 1HB TYR 658 HB2 TYR 658 1.016 2.421 10.466 813 2HB TYR 658 HB3 TYR 658 1.395 0.770 10.155 814 HD1 TYR 658 HD1 TYR 658 1.342 0.540 7.221 815 HD2 TYR 658 HD2 TYR 658 2.578 3.901 9.612 816 HE1 TYR 658 HE1 TYR 658 2.188 1.671 5.177 817 HE2 TYR 658 HE2 TYR 658 3.482 4.978 7.581 818 HH TYR 658 HH TYR 658 3.279 5.053 5.217 819 H LYS 659 H LYS 659 -0.904 -0.406 11.029 820 HA LYS 659 HA LYS 659 -0.678 -2.851 9.572 821 1HB LYS 659 HB2 LYS 659 -0.880 -2.992 11.955 822 2HB LYS 659 HB3 LYS 659 -2.404 -2.095 11.964 823 1HG LYS 659 HG2 LYS 659 -3.558 -3.941 10.815 824 2HG LYS 659 HG3 LYS 659 -2.044 -4.855 10.697 825 1HD LYS 659 HD2 LYS 659 -2.010 -5.242 13.064 826 2HD LYS 659 HD3 LYS 659 -3.185 -3.957 13.361 827 1HE LYS 659 HE2 LYS 659 -4.321 -6.052 13.632 828 2HE LYS 659 HE3 LYS 659 -4.952 -5.252 12.188 829 1HZ LYS 659 HZ1 LYS 659 -4.506 -7.667 11.971 830 2HZ LYS 659 HZ2 LYS 659 -3.784 -6.782 10.817 831 3HZ LYS 659 HZ3 LYS 659 -2.896 -7.390 12.071 832 H ILE 660 H ILE 660 -3.683 -1.019 10.251 833 HA ILE 660 HA ILE 660 -5.358 -2.457 8.503 834 HB ILE 660 HB ILE 660 -5.463 0.466 9.324 835 1HG1 ILE 660 HG12 ILE 660 -7.062 -1.898 10.412 836 2HG1 ILE 660 HG13 ILE 660 -5.537 -1.399 11.119 837 1HG2 ILE 660 HG21 ILE 660 -6.872 0.244 7.351 838 2HG2 ILE 660 HG22 ILE 660 -7.611 -1.249 7.982 839 3HG2 ILE 660 HG23 ILE 660 -7.913 0.313 8.757 840 1HD1 ILE 660 HD11 ILE 660 -7.181 -0.379 12.446 841 2HD1 ILE 660 HD12 ILE 660 -6.524 0.926 11.444 842 3HD1 ILE 660 HD13 ILE 660 -8.100 0.191 11.047 843 H GLN 661 H GLN 661 -3.568 0.581 7.621 844 HA GLN 661 HA GLN 661 -4.531 0.707 5.004 845 1HB GLN 661 HB2 GLN 661 -3.265 2.483 6.323 846 2HB GLN 661 HB3 GLN 661 -1.774 1.637 5.908 847 1HG GLN 661 HG2 GLN 661 -1.974 3.380 4.327 848 2HG GLN 661 HG3 GLN 661 -2.485 1.951 3.431 849 1HE2 GLN 661 HE22 GLN 661 -4.724 1.868 2.698 850 2HE2 GLN 661 HE21 GLN 661 -5.824 3.206 3.011 851 H LYS 662 H LYS 662 -1.439 -0.829 6.059 852 HA LYS 662 HA LYS 662 -0.619 -1.636 3.390 853 1HB LYS 662 HB2 LYS 662 0.214 -2.413 6.228 854 2HB LYS 662 HB3 LYS 662 0.875 -3.229 4.803 855 1HG LYS 662 HG2 LYS 662 1.622 -1.190 3.855 856 2HG LYS 662 HG3 LYS 662 0.948 -0.234 5.168 857 1HD LYS 662 HD2 LYS 662 3.352 -0.439 5.558 858 2HD LYS 662 HD3 LYS 662 2.491 -1.395 6.777 859 1HE LYS 662 HE2 LYS 662 2.869 -3.454 5.374 860 2HE LYS 662 HE3 LYS 662 3.834 -2.482 4.268 861 1HZ LYS 662 HZ1 LYS 662 5.237 -3.604 5.903 862 2HZ LYS 662 HZ2 LYS 662 5.330 -1.994 6.179 863 3HZ LYS 662 HZ3 LYS 662 4.426 -2.945 7.150 864 H GLU 663 H GLU 663 -1.926 -3.460 6.071 865 HA GLU 663 HA GLU 663 -2.096 -5.989 4.810 866 1HB GLU 663 HB2 GLU 663 -2.287 -5.508 7.252 867 2HB GLU 663 HB3 GLU 663 -3.957 -4.961 6.981 868 1HG GLU 663 HG2 GLU 663 -4.648 -7.177 6.340 869 2HG GLU 663 HG3 GLU 663 -2.972 -7.724 6.187 870 H LEU 664 H LEU 664 -4.456 -3.317 4.665 871 HA LEU 664 HA LEU 664 -6.368 -4.808 3.015 872 1HB LEU 664 HB2 LEU 664 -5.931 -1.918 3.811 873 2HB LEU 664 HB3 LEU 664 -7.011 -2.300 2.491 874 HG LEU 664 HG LEU 664 -8.570 -3.383 3.784 875 1HD1 LEU 664 HD11 LEU 664 -7.156 -4.863 5.209 876 2HD1 LEU 664 HD12 LEU 664 -6.778 -3.473 6.243 877 3HD1 LEU 664 HD13 LEU 664 -8.446 -4.044 6.085 878 1HD2 LEU 664 HD21 LEU 664 -9.026 -1.784 5.663 879 2HD2 LEU 664 HD22 LEU 664 -7.413 -1.106 5.426 880 3HD2 LEU 664 HD23 LEU 664 -8.612 -0.991 4.126 881 H GLU 665 H GLU 665 -4.057 -2.123 2.254 882 HA GLU 665 HA GLU 665 -4.614 -2.092 -0.500 883 1HB GLU 665 HB2 GLU 665 -3.576 -0.271 0.787 884 2HB GLU 665 HB3 GLU 665 -2.093 -1.222 0.968 885 1HG GLU 665 HG2 GLU 665 -1.743 -1.161 -1.480 886 2HG GLU 665 HG3 GLU 665 -3.277 -0.307 -1.687 887 H GLU 666 H GLU 666 -1.797 -3.718 1.097 888 HA GLU 666 HA GLU 666 -0.715 -4.589 -1.436 889 1HB GLU 666 HB2 GLU 666 -0.010 -5.401 1.419 890 2HB GLU 666 HB3 GLU 666 0.934 -5.745 -0.032 891 1HG GLU 666 HG2 GLU 666 1.060 -3.248 -0.463 892 2HG GLU 666 HG3 GLU 666 0.358 -2.991 1.133 893 H LYS 667 H LYS 667 -3.264 -5.831 0.396 894 HA LYS 667 HA LYS 667 -3.099 -8.506 -0.963 895 1HB LYS 667 HB2 LYS 667 -4.912 -7.584 1.299 896 2HB LYS 667 HB3 LYS 667 -4.900 -9.188 0.565 897 1HG LYS 667 HG2 LYS 667 -2.642 -7.932 2.182 898 2HG LYS 667 HG3 LYS 667 -3.725 -9.234 2.679 899 1HD LYS 667 HD2 LYS 667 -2.796 -10.615 0.744 900 2HD LYS 667 HD3 LYS 667 -1.581 -9.340 0.514 901 1HE LYS 667 HE2 LYS 667 -0.844 -9.613 2.873 902 2HE LYS 667 HE3 LYS 667 -2.034 -10.902 3.094 903 1HZ LYS 667 HZ1 LYS 667 0.157 -11.810 2.585 904 2HZ LYS 667 HZ2 LYS 667 -0.867 -12.180 1.371 905 3HZ LYS 667 HZ3 LYS 667 0.237 -10.990 1.176 906 H ARG 668 H ARG 668 -4.979 -5.520 -0.856 907 HA ARG 668 HA ARG 668 -7.028 -6.392 -2.744 908 1HB ARG 668 HB2 ARG 668 -6.138 -3.783 -1.545 909 2HB ARG 668 HB3 ARG 668 -6.795 -3.691 -3.162 910 1HG ARG 668 HG2 ARG 668 -8.607 -3.299 -1.800 911 2HG ARG 668 HG3 ARG 668 -8.835 -4.933 -2.399 912 1HD ARG 668 HD2 ARG 668 -7.932 -4.123 0.399 913 2HD ARG 668 HD3 ARG 668 -9.530 -4.669 -0.057 914 HE ARG 668 HE ARG 668 -7.177 -6.290 0.443 915 1HH1 ARG 668 HH11 ARG 668 -10.370 -6.404 -1.055 916 2HH1 ARG 668 HH12 ARG 668 -10.278 -8.125 -1.289 917 1HH2 ARG 668 HH21 ARG 668 -7.288 -8.523 0.331 918 2HH2 ARG 668 HH22 ARG 668 -8.628 -9.283 -0.464 919 H ARG 669 H ARG 669 -3.785 -5.060 -3.108 920 HA ARG 669 HA ARG 669 -3.648 -4.793 -5.925 921 1HB ARG 669 HB2 ARG 669 -1.974 -4.017 -4.270 922 2HB ARG 669 HB3 ARG 669 -1.500 -5.690 -3.952 923 1HG ARG 669 HG2 ARG 669 -0.677 -5.922 -6.266 924 2HG ARG 669 HG3 ARG 669 -1.262 -4.290 -6.657 925 1HD ARG 669 HD2 ARG 669 0.281 -3.331 -4.984 926 2HD ARG 669 HD3 ARG 669 0.850 -4.940 -4.547 927 HE ARG 669 HE ARG 669 1.428 -3.421 -7.033 928 1HH1 ARG 669 HH21 ARG 669 1.933 -6.462 -5.352 929 2HH1 ARG 669 HH22 ARG 669 3.267 -6.904 -6.382 930 1HH2 ARG 669 HH11 ARG 669 3.126 -4.057 -8.301 931 2HH2 ARG 669 HH12 ARG 669 3.916 -5.578 -8.005 932 H SER 670 H SER 670 -3.537 -7.765 -4.033 933 HA SER 670 HA SER 670 -2.315 -9.466 -5.906 934 1HB SER 670 HB2 SER 670 -4.358 -10.232 -3.792 935 2HB SER 670 HB3 SER 670 -3.149 -11.294 -4.528 936 HG SER 670 HG SER 670 -1.514 -10.055 -3.573 937 H ARG 671 H ARG 671 -5.461 -8.163 -6.256 938 HA ARG 671 HA ARG 671 -6.818 -10.309 -7.579 939 1HB ARG 671 HB2 ARG 671 -8.364 -8.623 -8.350 940 2HB ARG 671 HB3 ARG 671 -7.928 -8.312 -6.671 941 1HG ARG 671 HG2 ARG 671 -6.326 -6.539 -7.446 942 2HG ARG 671 HG3 ARG 671 -6.831 -6.822 -9.115 943 1HD ARG 671 HD2 ARG 671 -9.057 -6.100 -8.695 944 2HD ARG 671 HD3 ARG 671 -8.835 -6.155 -6.936 945 HE ARG 671 HE ARG 671 -6.973 -4.315 -7.617 946 1HH1 ARG 671 HH11 ARG 671 -10.371 -4.469 -8.498 947 2HH1 ARG 671 HH12 ARG 671 -10.598 -2.764 -8.159 948 1HH2 ARG 671 HH21 ARG 671 -7.350 -2.108 -7.401 949 2HH2 ARG 671 HH22 ARG 671 -8.968 -1.500 -7.652 950 H LEU 672 H LEU 672 -4.206 -8.439 -8.744 951 HA LEU 672 HA LEU 672 -4.646 -8.206 -11.499 952 1HB LEU 672 HB2 LEU 672 -2.866 -7.198 -10.025 953 2HB LEU 672 HB3 LEU 672 -1.982 -8.714 -10.101 954 HG LEU 672 HG LEU 672 -2.723 -7.062 -12.561 955 1HD1 LEU 672 HD11 LEU 672 -1.354 -5.720 -11.019 956 2HD1 LEU 672 HD12 LEU 672 -0.160 -7.033 -10.912 957 3HD1 LEU 672 HD13 LEU 672 -0.421 -6.176 -12.449 958 1HD2 LEU 672 HD21 LEU 672 -0.637 -9.246 -12.107 959 2HD2 LEU 672 HD22 LEU 672 -2.060 -9.340 -13.167 960 3HD2 LEU 672 HD23 LEU 672 -0.750 -8.239 -13.567 961 1H SER 839 H1 SER 839 -3.333 -9.114 26.529 962 2H SER 839 H2 SER 839 -2.051 -8.471 27.313 963 3H SER 839 H3 SER 839 -1.830 -9.220 25.871 964 HA SER 839 HA SER 839 -1.088 -10.621 27.672 965 1HB SER 839 HB2 SER 839 -2.860 -11.563 29.197 966 2HB SER 839 HB3 SER 839 -2.442 -9.866 29.470 967 HG SER 839 HG SER 839 -4.697 -10.144 29.461 968 H ASP 840 H ASP 840 -4.452 -11.619 27.024 969 HA ASP 840 HA ASP 840 -3.671 -13.981 25.542 970 1HB ASP 840 HB2 ASP 840 -5.735 -13.697 26.939 971 2HB ASP 840 HB3 ASP 840 -6.364 -12.574 25.731 972 H ALA 841 H ALA 841 -4.451 -14.445 23.311 973 HA ALA 841 HA ALA 841 -3.384 -12.581 21.387 974 1HB ALA 841 HB1 ALA 841 -3.251 -15.026 21.139 975 2HB ALA 841 HB2 ALA 841 -5.026 -15.129 21.036 976 3HB ALA 841 HB3 ALA 841 -4.102 -14.303 19.762 977 H GLY 842 H GLY 842 -4.506 -11.757 19.488 978 1HA GLY 842 HA2 GLY 842 -7.326 -11.442 19.226 979 2HA GLY 842 HA3 GLY 842 -6.678 -10.046 20.089 980 H ASN 843 H ASN 843 -7.748 -9.183 18.000 981 HA ASN 843 HA ASN 843 -5.582 -8.493 16.100 982 1HB ASN 843 HB2 ASN 843 -6.786 -10.423 15.096 983 2HB ASN 843 HB3 ASN 843 -8.315 -9.561 15.260 984 1HD2 ASN 843 HD22 ASN 843 -8.213 -10.219 12.856 985 2HD2 ASN 843 HD21 ASN 843 -7.588 -8.965 11.805 986 H ILE 844 H ILE 844 -5.569 -6.398 15.685 987 HA ILE 844 HA ILE 844 -7.295 -4.455 16.860 988 HB ILE 844 HB ILE 844 -5.098 -4.487 14.820 989 1HG1 ILE 844 HG12 ILE 844 -4.573 -4.609 17.226 990 2HG1 ILE 844 HG13 ILE 844 -3.842 -3.243 16.407 991 1HG2 ILE 844 HG21 ILE 844 -6.603 -1.920 15.374 992 2HG2 ILE 844 HG22 ILE 844 -5.023 -2.074 14.557 993 3HG2 ILE 844 HG23 ILE 844 -6.464 -2.765 13.824 994 1HD1 ILE 844 HD11 ILE 844 -6.298 -3.093 18.222 995 2HD1 ILE 844 HD12 ILE 844 -4.649 -2.610 18.634 996 3HD1 ILE 844 HD13 ILE 844 -5.538 -1.711 17.399 997 H LEU 845 H LEU 845 -7.688 -6.212 13.896 998 HA LEU 845 HA LEU 845 -9.857 -4.383 12.931 999 1HB LEU 845 HB2 LEU 845 -7.828 -4.158 11.677 1000 2HB LEU 845 HB3 LEU 845 -7.653 -5.900 11.526 1001 HG LEU 845 HG LEU 845 -9.555 -6.000 9.989 1002 1HD1 LEU 845 HD11 LEU 845 -10.528 -3.979 8.968 1003 2HD1 LEU 845 HD12 LEU 845 -10.862 -4.016 10.717 1004 3HD1 LEU 845 HD13 LEU 845 -9.592 -2.959 10.075 1005 1HD2 LEU 845 HD21 LEU 845 -8.440 -4.967 8.110 1006 2HD2 LEU 845 HD22 LEU 845 -7.494 -3.920 9.186 1007 3HD2 LEU 845 HD23 LEU 845 -7.240 -5.678 9.187 1008 HA PRO 846 HA PRO 846 -11.920 -8.400 14.149 1009 1HB PRO 846 HB2 PRO 846 -14.159 -6.358 13.910 1010 2HB PRO 846 HB3 PRO 846 -14.006 -7.716 15.079 1011 1HG PRO 846 HG2 PRO 846 -13.394 -5.243 15.863 1012 2HG PRO 846 HG3 PRO 846 -12.217 -6.559 16.224 1013 1HD PRO 846 HD2 PRO 846 -12.240 -4.644 13.871 1014 2HD PRO 846 HD3 PRO 846 -10.905 -4.987 15.019 1015 H SER 847 H SER 847 -12.986 -9.903 12.887 1016 HA SER 847 HA SER 847 -12.770 -9.808 10.165 1017 1HB SER 847 HB2 SER 847 -14.766 -11.521 11.682 1018 2HB SER 847 HB3 SER 847 -14.031 -11.876 10.107 1019 HG SER 847 HG SER 847 -12.980 -12.954 11.868 1020 H ASP 848 H ASP 848 -15.835 -9.132 11.930 1021 HA ASP 848 HA ASP 848 -17.469 -9.003 9.572 1022 1HB ASP 848 HB2 ASP 848 -18.281 -9.403 11.897 1023 2HB ASP 848 HB3 ASP 848 -17.912 -7.725 12.297 1024 H ILE 849 H ILE 849 -15.727 -6.491 11.390 1025 HA ILE 849 HA ILE 849 -16.532 -4.260 9.683 1026 HB ILE 849 HB ILE 849 -14.634 -4.700 11.967 1027 1HG1 ILE 849 HG12 ILE 849 -15.627 -2.605 12.778 1028 2HG1 ILE 849 HG13 ILE 849 -16.503 -2.394 11.268 1029 1HG2 ILE 849 HG21 ILE 849 -13.595 -2.450 11.633 1030 2HG2 ILE 849 HG22 ILE 849 -13.051 -3.685 10.503 1031 3HG2 ILE 849 HG23 ILE 849 -14.223 -2.474 9.970 1032 1HD1 ILE 849 HD11 ILE 849 -16.942 -4.675 13.244 1033 2HD1 ILE 849 HD12 ILE 849 -17.931 -3.201 13.118 1034 3HD1 ILE 849 HD13 ILE 849 -17.903 -4.353 11.775 1035 H MET 850 H MET 850 -13.692 -6.430 9.829 1036 HA MET 850 HA MET 850 -12.155 -5.218 7.835 1037 1HB MET 850 HB2 MET 850 -11.430 -7.007 9.436 1038 2HB MET 850 HB3 MET 850 -12.303 -8.195 8.471 1039 1HG MET 850 HG2 MET 850 -10.874 -7.714 6.530 1040 2HG MET 850 HG3 MET 850 -10.082 -6.412 7.401 1041 1HE MET 850 HE1 MET 850 -10.464 -10.241 6.839 1042 2HE MET 850 HE2 MET 850 -9.496 -10.953 8.148 1043 3HE MET 850 HE3 MET 850 -11.038 -10.161 8.521 1044 H ASP 851 H ASP 851 -14.449 -7.976 7.377 1045 HA ASP 851 HA ASP 851 -13.972 -8.396 4.656 1046 1HB ASP 851 HB2 ASP 851 -15.233 -9.899 6.143 1047 2HB ASP 851 HB3 ASP 851 -16.565 -8.743 6.211 1048 H PHE 852 H PHE 852 -16.314 -6.080 6.081 1049 HA PHE 852 HA PHE 852 -17.450 -5.176 3.610 1050 1HB PHE 852 HB2 PHE 852 -18.453 -4.782 5.826 1051 2HB PHE 852 HB3 PHE 852 -17.101 -3.754 6.278 1052 HD1 PHE 852 HD1 PHE 852 -19.797 -4.078 3.664 1053 HD2 PHE 852 HD2 PHE 852 -17.281 -1.417 5.944 1054 HE1 PHE 852 HE1 PHE 852 -20.993 -2.119 2.704 1055 HE2 PHE 852 HE2 PHE 852 -18.500 0.533 5.011 1056 HZ PHE 852 HZ PHE 852 -20.338 0.187 3.370 1057 H VAL 853 H VAL 853 -14.599 -3.978 5.469 1058 HA VAL 853 HA VAL 853 -14.030 -1.861 3.566 1059 HB VAL 853 HB VAL 853 -12.148 -3.096 5.661 1060 1HG1 VAL 853 HG11 VAL 853 -10.919 -1.812 3.937 1061 2HG1 VAL 853 HG12 VAL 853 -12.071 -0.469 4.070 1062 3HG1 VAL 853 HG13 VAL 853 -11.017 -0.869 5.431 1063 1HG2 VAL 853 HG21 VAL 853 -14.163 -2.112 6.709 1064 2HG2 VAL 853 HG22 VAL 853 -12.743 -1.099 6.980 1065 3HG2 VAL 853 HG23 VAL 853 -13.950 -0.632 5.759 1066 H LEU 854 H LEU 854 -12.763 -5.240 3.877 1067 HA LEU 854 HA LEU 854 -10.894 -4.992 1.725 1068 1HB LEU 854 HB2 LEU 854 -12.388 -7.542 2.447 1069 2HB LEU 854 HB3 LEU 854 -10.891 -7.380 1.541 1070 HG LEU 854 HG LEU 854 -11.328 -7.147 4.493 1071 1HD1 LEU 854 HD11 LEU 854 -10.863 -9.346 3.506 1072 2HD1 LEU 854 HD12 LEU 854 -9.348 -8.717 2.822 1073 3HD1 LEU 854 HD13 LEU 854 -9.561 -8.815 4.583 1074 1HD2 LEU 854 HD21 LEU 854 -8.830 -6.224 3.033 1075 2HD2 LEU 854 HD22 LEU 854 -9.932 -5.217 4.009 1076 3HD2 LEU 854 HD23 LEU 854 -8.989 -6.484 4.792 1077 H LYS 855 H LYS 855 -14.352 -5.847 1.682 1078 HA LYS 855 HA LYS 855 -14.555 -6.504 -1.108 1079 1HB LYS 855 HB2 LYS 855 -16.170 -7.167 0.592 1080 2HB LYS 855 HB3 LYS 855 -16.624 -5.501 0.907 1081 1HG LYS 855 HG2 LYS 855 -16.946 -6.680 -1.876 1082 2HG LYS 855 HG3 LYS 855 -18.095 -7.071 -0.598 1083 1HD LYS 855 HD2 LYS 855 -18.602 -4.678 -0.257 1084 2HD LYS 855 HD3 LYS 855 -17.514 -4.246 -1.587 1085 1HE LYS 855 HE2 LYS 855 -18.843 -5.601 -3.157 1086 2HE LYS 855 HE3 LYS 855 -19.937 -6.065 -1.848 1087 1HZ LYS 855 HZ1 LYS 855 -19.516 -3.275 -2.795 1088 2HZ LYS 855 HZ2 LYS 855 -20.816 -4.198 -3.139 1089 3HZ LYS 855 HZ3 LYS 855 -20.545 -3.720 -1.605 1090 H ASN 856 H ASN 856 -15.113 -3.430 0.614 1091 HA ASN 856 HA ASN 856 -15.947 -2.041 -1.811 1092 1HB ASN 856 HB2 ASN 856 -15.481 -1.222 1.071 1093 2HB ASN 856 HB3 ASN 856 -15.845 -0.081 -0.218 1094 1HD2 ASN 856 HD22 ASN 856 -17.213 -2.470 1.875 1095 2HD2 ASN 856 HD21 ASN 856 -18.869 -2.208 1.343 1096 H THR 857 H THR 857 -12.893 -1.956 0.095 1097 HA THR 857 HA THR 857 -11.901 0.388 -1.097 1098 HB THR 857 HB THR 857 -9.618 -0.412 -0.361 1099 HG1 THR 857 HG1 THR 857 -11.098 -2.419 0.946 1100 1HG2 THR 857 HG21 THR 857 -11.962 -0.316 1.589 1101 2HG2 THR 857 HG22 THR 857 -10.238 -0.184 2.042 1102 3HG2 THR 857 HG23 THR 857 -10.990 1.029 0.989 1103 HA PRO 858 HA PRO 858 -9.652 -1.808 -4.621 1104 1HB PRO 858 HB2 PRO 858 -10.774 -4.033 -5.786 1105 2HB PRO 858 HB3 PRO 858 -9.553 -4.090 -4.488 1106 1HG PRO 858 HG2 PRO 858 -12.561 -4.338 -4.283 1107 2HG PRO 858 HG3 PRO 858 -11.308 -5.348 -3.492 1108 1HD PRO 858 HD2 PRO 858 -12.590 -3.323 -2.238 1109 2HD PRO 858 HD3 PRO 858 -10.899 -3.705 -1.862 1110 H SER 859 H SER 859 -13.086 -1.290 -4.300 1111 HA SER 859 HA SER 859 -13.655 -0.935 -7.145 1112 1HB SER 859 HB2 SER 859 -15.234 -0.076 -4.688 1113 2HB SER 859 HB3 SER 859 -15.813 -0.064 -6.360 1114 HG SER 859 HG SER 859 -16.466 -1.965 -5.279 1115 H MET 860 H MET 860 -14.407 1.085 -8.079 1116 HA MET 860 HA MET 860 -13.552 3.632 -6.900 1117 1HB MET 860 HB2 MET 860 -11.494 2.632 -7.938 1118 2HB MET 860 HB3 MET 860 -12.317 2.579 -9.490 1119 1HG MET 860 HG2 MET 860 -10.705 4.471 -9.184 1120 2HG MET 860 HG3 MET 860 -12.313 4.952 -9.681 1121 1HE MET 860 HE1 MET 860 -10.567 5.607 -5.415 1122 2HE MET 860 HE2 MET 860 -10.962 3.993 -6.036 1123 3HE MET 860 HE3 MET 860 -9.644 4.935 -6.777 1124 H GLN 861 H GLN 861 -14.081 5.468 -8.383 1125 HA GLN 861 HA GLN 861 -16.764 5.492 -9.309 1126 1HB GLN 861 HB2 GLN 861 -14.391 7.333 -9.715 1127 2HB GLN 861 HB3 GLN 861 -15.987 7.729 -10.332 1128 1HG GLN 861 HG2 GLN 861 -15.498 7.058 -7.406 1129 2HG GLN 861 HG3 GLN 861 -15.336 8.694 -8.035 1130 1HE2 GLN 861 HE22 GLN 861 -17.295 7.361 -6.070 1131 2HE2 GLN 861 HE21 GLN 861 -18.853 7.976 -6.639 1132 H ALA 862 H ALA 862 -17.453 6.194 -11.507 1133 HA ALA 862 HA ALA 862 -15.969 4.996 -13.791 1134 1HB ALA 862 HB1 ALA 862 -17.483 3.267 -12.836 1135 2HB ALA 862 HB2 ALA 862 -18.864 4.364 -13.066 1136 3HB ALA 862 HB3 ALA 862 -17.964 3.744 -14.468 1137 H LEU 863 H LEU 863 -17.686 5.353 -15.807 1138 HA LEU 863 HA LEU 863 -17.405 8.069 -16.501 1139 1HB LEU 863 HB2 LEU 863 -19.112 5.826 -17.655 1140 2HB LEU 863 HB3 LEU 863 -19.090 7.426 -18.357 1141 HG LEU 863 HG LEU 863 -17.693 5.958 -19.616 1142 1HD1 LEU 863 HD11 LEU 863 -17.047 8.349 -19.445 1143 2HD1 LEU 863 HD12 LEU 863 -15.911 7.934 -18.139 1144 3HD1 LEU 863 HD13 LEU 863 -15.676 7.276 -19.766 1145 1HD2 LEU 863 HD21 LEU 863 -15.663 4.943 -18.845 1146 2HD2 LEU 863 HD22 LEU 863 -15.841 5.638 -17.227 1147 3HD2 LEU 863 HD23 LEU 863 -16.987 4.396 -17.805 1148 H GLY 864 H GLY 864 -18.805 9.758 -16.856 1149 1HA GLY 864 HA2 GLY 864 -21.494 10.080 -16.292 1150 2HA GLY 864 HA3 GLY 864 -20.670 10.279 -14.737 1151 H GLU 865 H GLU 865 -21.405 12.504 -14.760 1152 HA GLU 865 HA GLU 865 -19.541 14.316 -16.173 1153 1HB GLU 865 HB2 GLU 865 -21.299 15.825 -16.886 1154 2HB GLU 865 HB3 GLU 865 -21.499 14.243 -17.629 1155 1HG GLU 865 HG2 GLU 865 -23.278 13.700 -15.938 1156 2HG GLU 865 HG3 GLU 865 -23.097 15.322 -15.263 1157 H SER 866 H SER 866 -19.489 16.482 -15.300 1158 HA SER 866 HA SER 866 -20.284 16.788 -12.448 1159 1HB SER 866 HB2 SER 866 -17.439 16.913 -13.548 1160 2HB SER 866 HB3 SER 866 -17.912 17.468 -11.937 1161 HG SER 866 HG SER 866 -17.088 15.336 -11.893 1162 HA PRO 867 HA PRO 867 -20.498 21.133 -13.681 1163 1HB PRO 867 HB2 PRO 867 -20.172 22.422 -11.289 1164 2HB PRO 867 HB3 PRO 867 -21.649 21.502 -11.706 1165 1HG PRO 867 HG2 PRO 867 -19.265 20.561 -10.079 1166 2HG PRO 867 HG3 PRO 867 -21.007 20.433 -9.667 1167 1HD PRO 867 HD2 PRO 867 -19.632 18.369 -10.787 1168 2HD PRO 867 HD3 PRO 867 -21.338 18.686 -11.214 1169 H GLU 868 H GLU 868 -19.194 23.114 -13.689 1170 HA GLU 868 HA GLU 868 -16.233 22.655 -13.448 1171 1HB GLU 868 HB2 GLU 868 -17.777 23.975 -15.715 1172 2HB GLU 868 HB3 GLU 868 -16.017 23.890 -15.587 1173 1HG GLU 868 HG2 GLU 868 -16.124 21.409 -15.646 1174 2HG GLU 868 HG3 GLU 868 -17.876 21.494 -15.866 1175 H SER 869 H SER 869 -18.566 24.429 -12.070 1176 HA SER 869 HA SER 869 -16.827 26.722 -11.423 1177 1HB SER 869 HB2 SER 869 -18.140 27.356 -13.485 1178 2HB SER 869 HB3 SER 869 -19.627 27.156 -12.538 1179 HG SER 869 HG SER 869 -18.826 29.349 -12.524 Start of MODEL 17 1 1H LYS 291 H1 LYS 291 12.299 1.220 0.509 2 2H LYS 291 H2 LYS 291 12.994 2.561 1.165 3 3H LYS 291 H3 LYS 291 12.727 1.251 2.095 4 HA LYS 291 HA LYS 291 10.613 2.868 0.829 5 1HB LYS 291 HB2 LYS 291 9.100 1.695 2.460 6 2HB LYS 291 HB3 LYS 291 9.662 0.769 1.073 7 1HG LYS 291 HG2 LYS 291 11.320 -0.409 2.485 8 2HG LYS 291 HG3 LYS 291 10.782 0.484 3.906 9 1HD LYS 291 HD2 LYS 291 9.032 -1.352 2.214 10 2HD LYS 291 HD3 LYS 291 9.874 -1.862 3.669 11 1HE LYS 291 HE2 LYS 291 7.767 0.343 3.595 12 2HE LYS 291 HE3 LYS 291 7.431 -1.345 3.968 13 1HZ LYS 291 HZ1 LYS 291 8.954 -1.178 5.863 14 2HZ LYS 291 HZ2 LYS 291 9.223 0.408 5.568 15 3HZ LYS 291 HZ3 LYS 291 7.728 -0.115 6.004 16 H GLU 292 H GLU 292 10.928 4.903 1.500 17 HA GLU 292 HA GLU 292 10.914 5.379 4.455 18 1HB GLU 292 HB2 GLU 292 12.717 6.932 2.549 19 2HB GLU 292 HB3 GLU 292 12.560 7.123 4.284 20 1HG GLU 292 HG2 GLU 292 14.464 5.952 4.326 21 2HG GLU 292 HG3 GLU 292 13.401 4.562 4.286 22 H LYS 293 H LYS 293 10.657 7.108 1.279 23 HA LYS 293 HA LYS 293 9.624 9.498 2.343 24 1HB LYS 293 HB2 LYS 293 9.237 8.382 -0.382 25 2HB LYS 293 HB3 LYS 293 8.964 10.064 0.058 26 1HG LYS 293 HG2 LYS 293 11.613 8.554 0.053 27 2HG LYS 293 HG3 LYS 293 11.074 9.739 -1.133 28 1HD LYS 293 HD2 LYS 293 11.079 11.511 0.626 29 2HD LYS 293 HD3 LYS 293 11.670 10.309 1.806 30 1HE LYS 293 HE2 LYS 293 13.567 9.807 0.259 31 2HE LYS 293 HE3 LYS 293 13.050 11.134 -0.786 32 1HZ LYS 293 HZ1 LYS 293 13.898 11.446 2.049 33 2HZ LYS 293 HZ2 LYS 293 14.784 11.868 0.747 34 3HZ LYS 293 HZ3 LYS 293 13.403 12.667 1.080 35 H ARG 294 H ARG 294 7.587 7.065 0.688 36 HA ARG 294 HA ARG 294 5.145 8.351 1.527 37 1HB ARG 294 HB2 ARG 294 5.392 6.908 -0.463 38 2HB ARG 294 HB3 ARG 294 5.563 5.483 0.556 39 1HG ARG 294 HG2 ARG 294 3.121 7.255 0.903 40 2HG ARG 294 HG3 ARG 294 3.239 6.250 -0.538 41 1HD ARG 294 HD2 ARG 294 3.515 4.236 0.832 42 2HD ARG 294 HD3 ARG 294 3.345 5.176 2.318 43 HE ARG 294 HE ARG 294 1.067 5.897 1.279 44 1HH1 ARG 294 HH11 ARG 294 2.392 2.686 0.842 45 2HH1 ARG 294 HH12 ARG 294 0.798 1.956 0.702 46 1HH2 ARG 294 HH21 ARG 294 -0.928 4.871 1.025 47 2HH2 ARG 294 HH22 ARG 294 -0.948 3.123 0.816 48 H ILE 295 H ILE 295 7.181 5.981 3.100 49 HA ILE 295 HA ILE 295 5.327 5.064 5.112 50 HB ILE 295 HB ILE 295 8.363 5.297 5.235 51 1HG1 ILE 295 HG12 ILE 295 7.752 3.994 3.289 52 2HG1 ILE 295 HG13 ILE 295 8.498 2.999 4.514 53 1HG2 ILE 295 HG21 ILE 295 7.623 4.985 7.448 54 2HG2 ILE 295 HG22 ILE 295 6.411 3.794 6.979 55 3HG2 ILE 295 HG23 ILE 295 8.142 3.393 6.888 56 1HD1 ILE 295 HD11 ILE 295 5.463 3.073 4.295 57 2HD1 ILE 295 HD12 ILE 295 6.459 2.078 3.213 58 3HD1 ILE 295 HD13 ILE 295 6.535 1.821 4.957 59 H LYS 296 H LYS 296 7.873 7.607 5.227 60 HA LYS 296 HA LYS 296 7.056 8.770 7.722 61 1HB LYS 296 HB2 LYS 296 9.263 9.115 6.656 62 2HB LYS 296 HB3 LYS 296 8.503 9.998 5.325 63 1HG LYS 296 HG2 LYS 296 7.755 11.760 6.880 64 2HG LYS 296 HG3 LYS 296 8.402 10.841 8.255 65 1HD LYS 296 HD2 LYS 296 10.698 11.084 7.347 66 2HD LYS 296 HD3 LYS 296 10.052 11.891 5.913 67 1HE LYS 296 HE2 LYS 296 10.923 13.593 7.342 68 2HE LYS 296 HE3 LYS 296 9.165 13.729 7.348 69 1HZ LYS 296 HZ1 LYS 296 9.159 12.581 9.509 70 2HZ LYS 296 HZ2 LYS 296 10.789 12.439 9.484 71 3HZ LYS 296 HZ3 LYS 296 10.098 13.911 9.588 72 H GLU 297 H GLU 297 6.120 9.556 4.359 73 HA GLU 297 HA GLU 297 4.442 11.753 4.843 74 1HB GLU 297 HB2 GLU 297 5.189 10.863 2.622 75 2HB GLU 297 HB3 GLU 297 4.060 9.531 2.815 76 1HG GLU 297 HG2 GLU 297 2.177 11.204 2.906 77 2HG GLU 297 HG3 GLU 297 3.381 12.466 2.614 78 H LEU 298 H LEU 298 3.324 8.311 4.630 79 HA LEU 298 HA LEU 298 0.636 8.769 5.417 80 1HB LEU 298 HB2 LEU 298 1.594 6.688 4.343 81 2HB LEU 298 HB3 LEU 298 2.424 6.334 5.853 82 HG LEU 298 HG LEU 298 0.058 6.312 6.950 83 1HD1 LEU 298 HD11 LEU 298 -1.169 7.327 5.031 84 2HD1 LEU 298 HD12 LEU 298 -0.743 5.920 4.034 85 3HD1 LEU 298 HD13 LEU 298 -1.791 5.727 5.456 86 1HD2 LEU 298 HD21 LEU 298 0.863 4.182 4.943 87 2HD2 LEU 298 HD22 LEU 298 1.383 4.318 6.641 88 3HD2 LEU 298 HD23 LEU 298 -0.315 3.986 6.266 89 H GLU 299 H GLU 299 3.508 8.001 7.438 90 HA GLU 299 HA GLU 299 2.089 7.853 9.915 91 1HB GLU 299 HB2 GLU 299 4.445 7.009 9.314 92 2HB GLU 299 HB3 GLU 299 4.991 8.684 9.517 93 1HG GLU 299 HG2 GLU 299 4.044 8.605 11.873 94 2HG GLU 299 HG3 GLU 299 3.678 6.900 11.611 95 H LEU 300 H LEU 300 3.642 10.608 8.243 96 HA LEU 300 HA LEU 300 3.155 12.573 10.275 97 1HB LEU 300 HB2 LEU 300 4.941 12.715 8.607 98 2HB LEU 300 HB3 LEU 300 3.758 12.788 7.304 99 HG LEU 300 HG LEU 300 2.996 15.002 8.069 100 1HD1 LEU 300 HD11 LEU 300 3.431 14.885 10.485 101 2HD1 LEU 300 HD12 LEU 300 5.178 14.728 10.189 102 3HD1 LEU 300 HD13 LEU 300 4.323 16.234 9.784 103 1HD2 LEU 300 HD21 LEU 300 6.020 14.805 7.788 104 2HD2 LEU 300 HD22 LEU 300 4.848 14.801 6.452 105 3HD2 LEU 300 HD23 LEU 300 5.019 16.240 7.469 106 H LEU 301 H LEU 301 1.065 11.373 7.666 107 HA LEU 301 HA LEU 301 -0.678 13.518 7.304 108 1HB LEU 301 HB2 LEU 301 -1.305 10.538 7.450 109 2HB LEU 301 HB3 LEU 301 -2.479 11.730 6.981 110 HG LEU 301 HG LEU 301 0.022 11.000 5.453 111 1HD1 LEU 301 HD11 LEU 301 -1.935 9.479 5.314 112 2HD1 LEU 301 HD12 LEU 301 -2.921 10.833 4.730 113 3HD1 LEU 301 HD13 LEU 301 -1.544 10.251 3.766 114 1HD2 LEU 301 HD21 LEU 301 -0.253 13.405 5.151 115 2HD2 LEU 301 HD22 LEU 301 -0.782 12.563 3.695 116 3HD2 LEU 301 HD23 LEU 301 -1.996 13.192 4.834 117 H LEU 302 H LEU 302 -0.724 11.296 10.043 118 HA LEU 302 HA LEU 302 -3.007 12.562 11.375 119 1HB LEU 302 HB2 LEU 302 -0.918 10.489 12.018 120 2HB LEU 302 HB3 LEU 302 -1.723 11.247 13.374 121 HG LEU 302 HG LEU 302 -3.348 10.019 11.143 122 1HD1 LEU 302 HD11 LEU 302 -3.483 8.095 12.836 123 2HD1 LEU 302 HD12 LEU 302 -1.967 8.284 11.932 124 3HD1 LEU 302 HD13 LEU 302 -2.077 8.824 13.629 125 1HD2 LEU 302 HD21 LEU 302 -3.910 10.560 14.097 126 2HD2 LEU 302 HD22 LEU 302 -4.523 11.551 12.752 127 3HD2 LEU 302 HD23 LEU 302 -5.044 9.868 12.921 128 H MET 303 H MET 303 0.532 12.636 12.032 129 HA MET 303 HA MET 303 0.338 14.417 14.199 130 1HB MET 303 HB2 MET 303 2.624 13.640 12.381 131 2HB MET 303 HB3 MET 303 2.844 14.798 13.700 132 1HG MET 303 HG2 MET 303 2.002 13.211 15.327 133 2HG MET 303 HG3 MET 303 1.702 12.003 14.077 134 1HE MET 303 HE1 MET 303 5.181 10.684 13.131 135 2HE MET 303 HE2 MET 303 3.418 10.492 13.027 136 3HE MET 303 HE3 MET 303 4.213 11.875 12.239 137 H SER 304 H SER 304 0.442 15.265 10.765 138 HA SER 304 HA SER 304 1.096 18.051 11.125 139 1HB SER 304 HB2 SER 304 0.359 18.320 8.834 140 2HB SER 304 HB3 SER 304 1.366 16.870 8.988 141 HG SER 304 HG SER 304 -0.538 16.515 7.733 142 H THR 305 H THR 305 -1.869 16.329 11.721 143 HA THR 305 HA THR 305 -3.783 18.208 10.923 144 HB THR 305 HB THR 305 -4.112 16.390 13.322 145 HG1 THR 305 HG1 THR 305 -3.441 15.072 11.779 146 1HG2 THR 305 HG21 THR 305 -6.446 16.231 12.398 147 2HG2 THR 305 HG22 THR 305 -6.028 17.800 13.048 148 3HG2 THR 305 HG23 THR 305 -6.049 17.555 11.285 149 H GLU 306 H GLU 306 -1.919 18.318 13.983 150 HA GLU 306 HA GLU 306 -3.523 20.315 15.252 151 1HB GLU 306 HB2 GLU 306 -0.646 19.452 15.492 152 2HB GLU 306 HB3 GLU 306 -1.135 20.990 16.205 153 1HG GLU 306 HG2 GLU 306 -3.008 19.809 17.403 154 2HG GLU 306 HG3 GLU 306 -2.357 18.275 16.819 155 H ASN 307 H ASN 307 -1.457 20.700 12.437 156 HA ASN 307 HA ASN 307 -1.490 23.645 12.633 157 1HB ASN 307 HB2 ASN 307 0.390 22.402 11.551 158 2HB ASN 307 HB3 ASN 307 -0.726 21.831 10.309 159 1HD2 ASN 307 HD22 ASN 307 -0.859 23.127 8.483 160 2HD2 ASN 307 HD21 ASN 307 -0.491 24.849 8.476 161 H GLU 308 H GLU 308 -3.479 21.090 11.149 162 HA GLU 308 HA GLU 308 -5.022 22.811 9.392 163 1HB GLU 308 HB2 GLU 308 -5.723 20.106 10.629 164 2HB GLU 308 HB3 GLU 308 -6.648 20.945 9.387 165 1HG GLU 308 HG2 GLU 308 -4.663 20.872 7.886 166 2HG GLU 308 HG3 GLU 308 -3.784 19.944 9.105 167 H LEU 309 H LEU 309 -5.413 21.743 12.770 168 HA LEU 309 HA LEU 309 -7.961 22.918 13.259 169 1HB LEU 309 HB2 LEU 309 -5.653 21.962 14.943 170 2HB LEU 309 HB3 LEU 309 -6.845 22.972 15.724 171 HG LEU 309 HG LEU 309 -7.247 20.578 16.054 172 1HD1 LEU 309 HD11 LEU 309 -9.621 20.541 15.652 173 2HD1 LEU 309 HD12 LEU 309 -9.131 22.153 16.199 174 3HD1 LEU 309 HD13 LEU 309 -9.501 21.868 14.482 175 1HD2 LEU 309 HD21 LEU 309 -7.971 20.458 13.096 176 2HD2 LEU 309 HD22 LEU 309 -6.539 19.743 13.861 177 3HD2 LEU 309 HD23 LEU 309 -8.153 19.159 14.291 178 H LYS 310 H LYS 310 -4.954 24.571 12.803 179 HA LYS 310 HA LYS 310 -5.648 26.996 14.291 180 1HB LYS 310 HB2 LYS 310 -3.683 26.687 11.985 181 2HB LYS 310 HB3 LYS 310 -3.752 28.002 13.148 182 1HG LYS 310 HG2 LYS 310 -2.970 25.120 13.724 183 2HG LYS 310 HG3 LYS 310 -1.902 26.518 13.644 184 1HD LYS 310 HD2 LYS 310 -3.084 27.498 15.641 185 2HD LYS 310 HD3 LYS 310 -4.109 26.058 15.705 186 1HE LYS 310 HE2 LYS 310 -2.427 25.715 17.326 187 2HE LYS 310 HE3 LYS 310 -2.067 24.634 15.977 188 1HZ LYS 310 HZ1 LYS 310 -0.075 25.787 16.779 189 2HZ LYS 310 HZ2 LYS 310 -0.375 26.248 15.244 190 3HZ LYS 310 HZ3 LYS 310 -0.735 27.249 16.488 191 H GLY 311 H GLY 311 -6.366 25.809 11.077 192 1HA GLY 311 HA2 GLY 311 -8.571 26.911 10.335 193 2HA GLY 311 HA3 GLY 311 -7.635 28.404 10.279 194 H GLN 312 H GLN 312 -8.917 27.662 8.065 195 HA GLN 312 HA GLN 312 -7.455 26.066 6.169 196 1HB GLN 312 HB2 GLN 312 -9.361 28.399 5.681 197 2HB GLN 312 HB3 GLN 312 -8.884 27.182 4.498 198 1HG GLN 312 HG2 GLN 312 -10.546 26.692 7.014 199 2HG GLN 312 HG3 GLN 312 -11.130 26.744 5.358 200 1HE2 GLN 312 HE22 GLN 312 -10.396 24.984 3.846 201 2HE2 GLN 312 HE21 GLN 312 -9.948 23.438 4.554 202 H GLN 313 H GLN 313 -6.999 29.317 7.302 203 HA GLN 313 HA GLN 313 -5.530 30.344 5.030 204 1HB GLN 313 HB2 GLN 313 -5.740 31.488 7.851 205 2HB GLN 313 HB3 GLN 313 -5.301 32.329 6.372 206 1HG GLN 313 HG2 GLN 313 -7.455 33.026 6.595 207 2HG GLN 313 HG3 GLN 313 -7.689 31.663 5.514 208 1HE2 GLN 313 HE22 GLN 313 -9.868 32.654 6.937 209 2HE2 GLN 313 HE21 GLN 313 -10.289 31.519 8.213 210 H ALA 314 H ALA 314 -4.510 28.107 7.242 211 HA ALA 314 HA ALA 314 -1.712 29.139 7.446 212 1HB ALA 314 HB1 ALA 314 -3.011 29.163 9.554 213 2HB ALA 314 HB2 ALA 314 -3.300 27.414 9.390 214 3HB ALA 314 HB3 ALA 314 -1.651 28.031 9.628 215 H LEU 315 H LEU 315 -3.041 27.254 5.399 216 HA LEU 315 HA LEU 315 -1.019 25.062 5.474 217 1HB LEU 315 HB2 LEU 315 -3.233 24.300 6.265 218 2HB LEU 315 HB3 LEU 315 -3.976 24.805 4.756 219 HG LEU 315 HG LEU 315 -1.736 22.737 4.844 220 1HD1 LEU 315 HD11 LEU 315 -3.556 22.014 6.323 221 2HD1 LEU 315 HD12 LEU 315 -4.741 22.268 5.021 222 3HD1 LEU 315 HD13 LEU 315 -3.488 21.013 4.870 223 1HD2 LEU 315 HD21 LEU 315 -3.958 23.330 2.831 224 2HD2 LEU 315 HD22 LEU 315 -2.209 23.515 2.573 225 3HD2 LEU 315 HD23 LEU 315 -2.895 21.907 2.764 226 1H GLY 586 H1 GLY 586 -3.058 4.710 43.404 227 2H GLY 586 H2 GLY 586 -4.358 5.029 42.459 228 3H GLY 586 H3 GLY 586 -4.218 3.572 43.193 229 1HA GLY 586 HA2 GLY 586 -2.299 2.995 41.885 230 2HA GLY 586 HA3 GLY 586 -3.687 3.375 40.851 231 H VAL 587 H VAL 587 -2.791 4.259 39.072 232 HA VAL 587 HA VAL 587 -1.126 6.730 39.293 233 HB VAL 587 HB VAL 587 -0.538 4.372 37.444 234 1HG1 VAL 587 HG11 VAL 587 0.028 6.491 36.337 235 2HG1 VAL 587 HG12 VAL 587 0.912 7.037 37.785 236 3HG1 VAL 587 HG13 VAL 587 1.498 5.660 36.828 237 1HG2 VAL 587 HG21 VAL 587 1.626 4.227 38.671 238 2HG2 VAL 587 HG22 VAL 587 1.038 5.445 39.825 239 3HG2 VAL 587 HG23 VAL 587 0.252 3.853 39.704 240 H ARG 588 H ARG 588 -1.551 8.237 37.697 241 HA ARG 588 HA ARG 588 -3.632 7.657 35.632 242 1HB ARG 588 HB2 ARG 588 -3.744 9.962 37.632 243 2HB ARG 588 HB3 ARG 588 -4.829 9.733 36.259 244 1HG ARG 588 HG2 ARG 588 -5.517 7.507 37.249 245 2HG ARG 588 HG3 ARG 588 -4.607 7.930 38.707 246 1HD ARG 588 HD2 ARG 588 -6.914 9.525 37.525 247 2HD ARG 588 HD3 ARG 588 -7.033 8.401 38.888 248 HE ARG 588 HE ARG 588 -5.048 10.222 39.629 249 1HH1 ARG 588 HH11 ARG 588 -8.463 10.458 38.889 250 2HH1 ARG 588 HH12 ARG 588 -8.681 11.862 39.898 251 1HH2 ARG 588 HH22 ARG 588 -5.392 12.022 40.895 252 2HH2 ARG 588 HH21 ARG 588 -6.984 12.716 41.004 253 H LYS 589 H LYS 589 -3.903 9.406 34.103 254 HA LYS 589 HA LYS 589 -1.261 10.495 33.200 255 1HB LYS 589 HB2 LYS 589 -3.812 9.655 31.767 256 2HB LYS 589 HB3 LYS 589 -2.486 10.501 30.950 257 1HG LYS 589 HG2 LYS 589 -0.993 8.719 31.167 258 2HG LYS 589 HG3 LYS 589 -1.887 7.966 32.482 259 1HD LYS 589 HD2 LYS 589 -2.033 6.679 30.430 260 2HD LYS 589 HD3 LYS 589 -3.619 7.170 31.004 261 1HE LYS 589 HE2 LYS 589 -2.179 8.787 28.872 262 2HE LYS 589 HE3 LYS 589 -2.965 7.268 28.459 263 1HZ LYS 589 HZ1 LYS 589 -5.039 8.201 29.464 264 2HZ LYS 589 HZ2 LYS 589 -4.306 9.685 29.518 265 3HZ LYS 589 HZ3 LYS 589 -4.532 8.936 28.085 266 H GLY 590 H GLY 590 -1.138 12.546 32.261 267 1HA GLY 590 HA2 GLY 590 -3.334 14.511 32.728 268 2HA GLY 590 HA3 GLY 590 -1.837 14.684 33.645 269 H TRP 591 H TRP 591 -1.000 13.555 30.563 270 HA TRP 591 HA TRP 591 0.011 16.095 29.601 271 1HB TRP 591 HB2 TRP 591 0.670 14.763 27.648 272 2HB TRP 591 HB3 TRP 591 1.124 14.006 29.164 273 HD1 TRP 591 HD1 TRP 591 0.488 11.615 29.571 274 HE1 TRP 591 HE1 TRP 591 -0.657 9.778 28.189 275 HE3 TRP 591 HE3 TRP 591 -1.579 14.510 25.863 276 HZ2 TRP 591 HZ2 TRP 591 -2.397 9.602 25.916 277 HZ3 TRP 591 HZ3 TRP 591 -2.995 13.466 24.124 278 HH2 TRP 591 HH2 TRP 591 -3.409 11.026 24.129 279 H HIS 592 H HIS 592 -3.089 14.945 29.625 280 HA HIS 592 HA HIS 592 -4.106 15.065 27.061 281 1HB HIS 592 HB2 HIS 592 -5.490 15.755 29.675 282 2HB HIS 592 HB3 HIS 592 -6.282 15.268 28.189 283 HD1 HIS 592 HD1 HIS 592 -7.236 13.453 30.156 284 HD2 HIS 592 HD2 HIS 592 -3.338 12.936 28.638 285 HE1 HIS 592 HE1 HIS 592 -6.548 11.073 30.735 286 H GLU 593 H GLU 593 -3.304 17.845 29.044 287 HA GLU 593 HA GLU 593 -4.976 19.850 27.957 288 1HB GLU 593 HB2 GLU 593 -2.102 19.959 28.962 289 2HB GLU 593 HB3 GLU 593 -3.107 21.372 28.670 290 1HG GLU 593 HG2 GLU 593 -3.741 19.183 30.699 291 2HG GLU 593 HG3 GLU 593 -2.971 20.719 31.065 292 H HIS 594 H HIS 594 -2.214 18.260 26.446 293 HA HIS 594 HA HIS 594 -1.831 20.259 24.355 294 1HB HIS 594 HB2 HIS 594 -0.987 17.347 24.512 295 2HB HIS 594 HB3 HIS 594 -0.382 18.536 23.357 296 HD1 HIS 594 HD1 HIS 594 0.662 20.881 24.952 297 HD2 HIS 594 HD2 HIS 594 0.781 16.909 26.328 298 HE1 HIS 594 HE1 HIS 594 2.485 20.798 26.732 299 H VAL 595 H VAL 595 -4.400 18.167 24.853 300 HA VAL 595 HA VAL 595 -5.132 17.994 21.955 301 HB VAL 595 HB VAL 595 -5.226 15.800 24.067 302 1HG1 VAL 595 HG11 VAL 595 -7.294 15.558 22.835 303 2HG1 VAL 595 HG12 VAL 595 -6.446 15.741 21.275 304 3HG1 VAL 595 HG13 VAL 595 -6.169 14.322 22.294 305 1HG2 VAL 595 HG21 VAL 595 -3.054 15.973 22.974 306 2HG2 VAL 595 HG22 VAL 595 -3.889 14.552 22.348 307 3HG2 VAL 595 HG23 VAL 595 -3.819 16.027 21.370 308 H THR 596 H THR 596 -7.442 17.781 21.576 309 HA THR 596 HA THR 596 -9.309 18.345 23.770 310 HB THR 596 HB THR 596 -8.585 20.599 23.112 311 HG1 THR 596 HG1 THR 596 -10.639 21.382 22.837 312 1HG2 THR 596 HG21 THR 596 -9.785 20.018 20.367 313 2HG2 THR 596 HG22 THR 596 -9.146 21.564 20.951 314 3HG2 THR 596 HG23 THR 596 -8.048 20.202 20.701 315 H GLN 597 H GLN 597 -11.587 18.119 23.046 316 HA GLN 597 HA GLN 597 -11.963 15.728 21.580 317 1HB GLN 597 HB2 GLN 597 -13.500 16.754 23.301 318 2HB GLN 597 HB3 GLN 597 -14.030 17.904 22.060 319 1HG GLN 597 HG2 GLN 597 -14.846 16.013 20.663 320 2HG GLN 597 HG3 GLN 597 -14.247 14.864 21.861 321 1HE2 GLN 597 HE22 GLN 597 -15.796 14.165 23.353 322 2HE2 GLN 597 HE21 GLN 597 -17.256 15.069 23.730 323 H ASP 598 H ASP 598 -12.229 19.113 20.466 324 HA ASP 598 HA ASP 598 -13.291 18.544 17.888 325 1HB ASP 598 HB2 ASP 598 -13.252 20.749 19.131 326 2HB ASP 598 HB3 ASP 598 -11.551 20.902 18.691 327 H LEU 599 H LEU 599 -9.961 18.359 19.047 328 HA LEU 599 HA LEU 599 -8.731 18.118 16.399 329 1HB LEU 599 HB2 LEU 599 -7.429 18.824 18.389 330 2HB LEU 599 HB3 LEU 599 -7.777 17.280 19.179 331 HG LEU 599 HG LEU 599 -6.481 16.065 17.488 332 1HD1 LEU 599 HD11 LEU 599 -6.712 17.523 15.517 333 2HD1 LEU 599 HD12 LEU 599 -5.795 18.808 16.349 334 3HD1 LEU 599 HD13 LEU 599 -5.008 17.283 15.913 335 1HD2 LEU 599 HD21 LEU 599 -4.259 16.882 18.152 336 2HD2 LEU 599 HD22 LEU 599 -4.973 18.412 18.709 337 3HD2 LEU 599 HD23 LEU 599 -5.374 16.884 19.523 338 H ARG 600 H ARG 600 -9.659 15.820 19.028 339 HA ARG 600 HA ARG 600 -9.010 13.422 17.712 340 1HB ARG 600 HB2 ARG 600 -11.237 13.938 19.714 341 2HB ARG 600 HB3 ARG 600 -10.479 12.371 19.380 342 1HG ARG 600 HG2 ARG 600 -8.346 13.119 20.243 343 2HG ARG 600 HG3 ARG 600 -8.858 14.786 20.336 344 1HD ARG 600 HD2 ARG 600 -9.152 14.318 22.399 345 2HD ARG 600 HD3 ARG 600 -10.771 13.876 21.889 346 HE ARG 600 HE ARG 600 -9.134 11.558 21.582 347 1HH1 ARG 600 HH11 ARG 600 -10.350 13.279 24.382 348 2HH1 ARG 600 HH12 ARG 600 -10.740 11.795 25.206 349 1HH2 ARG 600 HH21 ARG 600 -9.922 9.837 22.473 350 2HH2 ARG 600 HH22 ARG 600 -10.423 9.827 24.165 351 H SER 601 H SER 601 -12.144 15.127 17.662 352 HA SER 601 HA SER 601 -13.692 13.437 16.049 353 1HB SER 601 HB2 SER 601 -13.329 16.444 15.729 354 2HB SER 601 HB3 SER 601 -14.666 15.500 15.039 355 HG SER 601 HG SER 601 -15.286 16.444 17.022 356 H HIS 602 H HIS 602 -11.142 15.661 14.870 357 HA HIS 602 HA HIS 602 -11.444 14.806 12.096 358 1HB HIS 602 HB2 HIS 602 -10.788 17.086 12.802 359 2HB HIS 602 HB3 HIS 602 -9.301 16.459 13.477 360 HD1 HIS 602 HD1 HIS 602 -10.343 18.211 10.540 361 HD2 HIS 602 HD2 HIS 602 -7.969 14.807 11.241 362 HE1 HIS 602 HE1 HIS 602 -8.909 17.893 8.454 363 H LEU 603 H LEU 603 -9.100 14.051 14.775 364 HA LEU 603 HA LEU 603 -7.412 12.404 13.152 365 1HB LEU 603 HB2 LEU 603 -7.937 12.058 16.110 366 2HB LEU 603 HB3 LEU 603 -6.573 11.428 15.194 367 HG LEU 603 HG LEU 603 -7.127 14.255 16.077 368 1HD1 LEU 603 HD11 LEU 603 -5.864 12.776 17.558 369 2HD1 LEU 603 HD12 LEU 603 -4.684 12.465 16.274 370 3HD1 LEU 603 HD13 LEU 603 -4.848 14.097 16.959 371 1HD2 LEU 603 HD21 LEU 603 -5.061 13.497 13.982 372 2HD2 LEU 603 HD22 LEU 603 -6.504 14.499 13.722 373 3HD2 LEU 603 HD23 LEU 603 -5.236 15.075 14.794 374 H VAL 604 H VAL 604 -10.403 11.542 14.894 375 HA VAL 604 HA VAL 604 -10.414 8.731 14.287 376 HB VAL 604 HB VAL 604 -12.645 10.747 14.731 377 1HG1 VAL 604 HG11 VAL 604 -12.951 7.729 14.427 378 2HG1 VAL 604 HG12 VAL 604 -14.207 8.867 14.964 379 3HG1 VAL 604 HG13 VAL 604 -13.608 8.954 13.317 380 1HG2 VAL 604 HG21 VAL 604 -11.631 8.407 16.411 381 2HG2 VAL 604 HG22 VAL 604 -11.220 10.110 16.688 382 3HG2 VAL 604 HG23 VAL 604 -12.890 9.577 16.871 383 H HIS 605 H HIS 605 -11.745 11.538 12.405 384 HA HIS 605 HA HIS 605 -12.510 9.958 10.164 385 1HB HIS 605 HB2 HIS 605 -13.246 12.294 10.620 386 2HB HIS 605 HB3 HIS 605 -11.646 12.869 10.150 387 HD1 HIS 605 HD1 HIS 605 -14.772 11.221 8.602 388 HD2 HIS 605 HD2 HIS 605 -11.113 13.002 7.526 389 HE1 HIS 605 HE1 HIS 605 -14.848 11.536 6.075 390 H LYS 606 H LYS 606 -9.391 11.490 10.908 391 HA LYS 606 HA LYS 606 -8.004 10.852 8.500 392 1HB LYS 606 HB2 LYS 606 -7.320 12.383 10.498 393 2HB LYS 606 HB3 LYS 606 -6.755 10.909 11.263 394 1HG LYS 606 HG2 LYS 606 -4.822 11.682 10.276 395 2HG LYS 606 HG3 LYS 606 -5.381 10.520 9.080 396 1HD LYS 606 HD2 LYS 606 -4.570 12.513 7.990 397 2HD LYS 606 HD3 LYS 606 -6.315 12.431 7.730 398 1HE LYS 606 HE2 LYS 606 -6.751 14.272 9.053 399 2HE LYS 606 HE3 LYS 606 -5.419 13.936 10.163 400 1HZ LYS 606 HZ1 LYS 606 -5.029 15.938 8.806 401 2HZ LYS 606 HZ2 LYS 606 -3.872 14.801 8.622 402 3HZ LYS 606 HZ3 LYS 606 -5.013 15.037 7.449 403 H LEU 607 H LEU 607 -8.276 8.979 11.516 404 HA LEU 607 HA LEU 607 -6.963 6.578 10.663 405 1HB LEU 607 HB2 LEU 607 -8.771 7.404 12.867 406 2HB LEU 607 HB3 LEU 607 -9.111 5.792 12.291 407 HG LEU 607 HG LEU 607 -6.646 5.233 12.614 408 1HD1 LEU 607 HD11 LEU 607 -5.421 6.548 14.316 409 2HD1 LEU 607 HD12 LEU 607 -5.727 7.533 12.869 410 3HD1 LEU 607 HD13 LEU 607 -6.706 7.769 14.323 411 1HD2 LEU 607 HD21 LEU 607 -6.963 4.857 15.029 412 2HD2 LEU 607 HD22 LEU 607 -8.331 5.996 15.038 413 3HD2 LEU 607 HD23 LEU 607 -8.433 4.473 14.125 414 H VAL 608 H VAL 608 -10.452 7.437 10.510 415 HA VAL 608 HA VAL 608 -11.362 5.111 9.228 416 HB VAL 608 HB VAL 608 -12.471 7.922 9.281 417 1HG1 VAL 608 HG11 VAL 608 -13.733 5.434 8.104 418 2HG1 VAL 608 HG12 VAL 608 -14.640 6.907 8.531 419 3HG1 VAL 608 HG13 VAL 608 -13.422 6.969 7.256 420 1HG2 VAL 608 HG21 VAL 608 -12.438 6.554 11.397 421 2HG2 VAL 608 HG22 VAL 608 -14.072 6.928 10.845 422 3HG2 VAL 608 HG23 VAL 608 -13.388 5.310 10.575 423 H GLN 609 H GLN 609 -10.099 8.063 7.559 424 HA GLN 609 HA GLN 609 -10.740 7.097 4.929 425 1HB GLN 609 HB2 GLN 609 -8.553 8.975 5.898 426 2HB GLN 609 HB3 GLN 609 -8.889 8.687 4.197 427 1HG GLN 609 HG2 GLN 609 -10.992 9.732 6.128 428 2HG GLN 609 HG3 GLN 609 -9.961 10.769 5.152 429 1HE2 GLN 609 HE22 GLN 609 -12.487 11.284 4.703 430 2HE2 GLN 609 HE21 GLN 609 -13.037 10.551 3.192 431 H ALA 610 H ALA 610 -7.883 6.501 6.981 432 HA ALA 610 HA ALA 610 -6.442 5.029 4.918 433 1HB ALA 610 HB1 ALA 610 -5.301 6.074 6.834 434 2HB ALA 610 HB2 ALA 610 -6.149 4.982 7.956 435 3HB ALA 610 HB3 ALA 610 -5.004 4.325 6.767 436 H ILE 611 H ILE 611 -8.727 4.128 7.531 437 HA ILE 611 HA ILE 611 -8.486 1.283 7.146 438 HB ILE 611 HB ILE 611 -10.758 2.862 8.386 439 1HG1 ILE 611 HG12 ILE 611 -8.691 1.328 9.963 440 2HG1 ILE 611 HG13 ILE 611 -8.283 2.939 9.440 441 1HG2 ILE 611 HG21 ILE 611 -10.024 -0.112 8.381 442 2HG2 ILE 611 HG22 ILE 611 -11.123 0.578 9.575 443 3HG2 ILE 611 HG23 ILE 611 -11.554 0.632 7.865 444 1HD1 ILE 611 HD11 ILE 611 -10.171 3.889 10.662 445 2HD1 ILE 611 HD12 ILE 611 -10.759 2.287 11.097 446 3HD1 ILE 611 HD13 ILE 611 -9.211 2.871 11.743 447 H PHE 612 H PHE 612 -11.042 3.606 5.923 448 HA PHE 612 HA PHE 612 -11.227 1.868 3.521 449 1HB PHE 612 HB2 PHE 612 -13.018 1.169 4.956 450 2HB PHE 612 HB3 PHE 612 -13.503 2.822 5.225 451 HD1 PHE 612 HD1 PHE 612 -12.785 2.456 1.688 452 HD2 PHE 612 HD2 PHE 612 -15.697 1.513 4.734 453 HE1 PHE 612 HE1 PHE 612 -14.558 2.617 0.016 454 HE2 PHE 612 HE2 PHE 612 -17.473 1.539 3.003 455 HZ PHE 612 HZ PHE 612 -16.913 2.069 0.669 456 HA PRO 613 HA PRO 613 -10.809 6.154 1.916 457 1HB PRO 613 HB2 PRO 613 -10.123 4.583 -0.549 458 2HB PRO 613 HB3 PRO 613 -9.280 5.970 0.189 459 1HG PRO 613 HG2 PRO 613 -8.304 3.428 0.383 460 2HG PRO 613 HG3 PRO 613 -8.185 4.570 1.758 461 1HD PRO 613 HD2 PRO 613 -10.255 2.412 1.284 462 2HD PRO 613 HD3 PRO 613 -9.330 2.737 2.774 463 H THR 614 H THR 614 -13.023 6.484 2.101 464 HA THR 614 HA THR 614 -15.148 5.132 1.150 465 HB THR 614 HB THR 614 -15.343 6.898 2.744 466 HG1 THR 614 HG1 THR 614 -17.220 7.947 1.762 467 1HG2 THR 614 HG21 THR 614 -15.063 8.898 0.448 468 2HG2 THR 614 HG22 THR 614 -15.467 9.278 2.125 469 3HG2 THR 614 HG23 THR 614 -13.864 8.642 1.734 470 HA PRO 615 HA PRO 615 -15.453 5.816 -3.228 471 1HB PRO 615 HB2 PRO 615 -17.904 4.799 -3.806 472 2HB PRO 615 HB3 PRO 615 -16.572 3.772 -3.187 473 1HG PRO 615 HG2 PRO 615 -18.813 5.025 -1.580 474 2HG PRO 615 HG3 PRO 615 -18.294 3.309 -1.600 475 1HD PRO 615 HD2 PRO 615 -17.356 5.013 0.293 476 2HD PRO 615 HD3 PRO 615 -16.297 3.802 -0.457 477 H ASP 616 H ASP 616 -17.810 7.218 -1.014 478 HA ASP 616 HA ASP 616 -18.473 9.528 -2.690 479 1HB ASP 616 HB2 ASP 616 -19.869 7.617 -3.588 480 2HB ASP 616 HB3 ASP 616 -20.534 7.425 -1.966 481 HA PRO 617 HA PRO 617 -18.981 10.922 1.488 482 1HB PRO 617 HB2 PRO 617 -20.453 13.256 1.219 483 2HB PRO 617 HB3 PRO 617 -18.718 13.068 0.828 484 1HG PRO 617 HG2 PRO 617 -21.074 13.045 -1.041 485 2HG PRO 617 HG3 PRO 617 -19.458 13.775 -1.287 486 1HD PRO 617 HD2 PRO 617 -20.258 11.367 -2.334 487 2HD PRO 617 HD3 PRO 617 -18.560 11.671 -1.979 488 H ALA 618 H ALA 618 -21.850 9.910 -0.230 489 HA ALA 618 HA ALA 618 -23.498 9.928 2.222 490 1HB ALA 618 HB1 ALA 618 -25.132 8.757 0.836 491 2HB ALA 618 HB2 ALA 618 -24.532 10.200 -0.004 492 3HB ALA 618 HB3 ALA 618 -23.948 8.589 -0.475 493 H ALA 619 H ALA 619 -21.143 7.759 0.698 494 HA ALA 619 HA ALA 619 -21.960 5.358 2.101 495 1HB ALA 619 HB1 ALA 619 -19.268 6.073 0.885 496 2HB ALA 619 HB2 ALA 619 -19.831 4.458 1.339 497 3HB ALA 619 HB3 ALA 619 -20.623 5.327 0.011 498 H LEU 620 H LEU 620 -19.942 8.135 2.958 499 HA LEU 620 HA LEU 620 -18.698 7.217 5.304 500 1HB LEU 620 HB2 LEU 620 -19.804 9.935 4.542 501 2HB LEU 620 HB3 LEU 620 -18.901 9.655 6.010 502 HG LEU 620 HG LEU 620 -17.794 9.210 3.216 503 1HD1 LEU 620 HD11 LEU 620 -16.455 11.221 3.700 504 2HD1 LEU 620 HD12 LEU 620 -18.186 11.588 3.756 505 3HD1 LEU 620 HD13 LEU 620 -17.275 11.403 5.269 506 1HD2 LEU 620 HD21 LEU 620 -15.589 9.122 4.474 507 2HD2 LEU 620 HD22 LEU 620 -16.512 9.034 5.984 508 3HD2 LEU 620 HD23 LEU 620 -16.641 7.737 4.772 509 H LYS 621 H LYS 621 -22.088 7.727 4.798 510 HA LYS 621 HA LYS 621 -22.614 7.313 7.716 511 1HB LYS 621 HB2 LYS 621 -24.643 8.616 7.516 512 2HB LYS 621 HB3 LYS 621 -23.218 9.564 7.112 513 1HG LYS 621 HG2 LYS 621 -23.713 9.399 4.720 514 2HG LYS 621 HG3 LYS 621 -25.094 8.325 5.045 515 1HD LYS 621 HD2 LYS 621 -26.220 10.132 6.291 516 2HD LYS 621 HD3 LYS 621 -24.822 11.200 6.037 517 1HE LYS 621 HE2 LYS 621 -25.148 11.063 3.588 518 2HE LYS 621 HE3 LYS 621 -26.523 9.975 3.818 519 1HZ LYS 621 HZ1 LYS 621 -26.397 12.779 4.804 520 2HZ LYS 621 HZ2 LYS 621 -27.240 12.282 3.498 521 3HZ LYS 621 HZ3 LYS 621 -27.673 11.775 4.986 522 H ASP 622 H ASP 622 -22.373 5.377 5.334 523 HA ASP 622 HA ASP 622 -24.902 3.958 5.220 524 1HB ASP 622 HB2 ASP 622 -23.114 3.569 3.587 525 2HB ASP 622 HB3 ASP 622 -22.013 3.056 4.866 526 H ARG 623 H ARG 623 -25.554 2.111 6.456 527 HA ARG 623 HA ARG 623 -25.227 2.285 9.272 528 1HB ARG 623 HB2 ARG 623 -26.312 0.133 7.411 529 2HB ARG 623 HB3 ARG 623 -26.197 -0.168 9.134 530 1HG ARG 623 HG2 ARG 623 -28.430 0.524 8.468 531 2HG ARG 623 HG3 ARG 623 -27.735 1.598 9.675 532 1HD ARG 623 HD2 ARG 623 -27.463 2.323 6.762 533 2HD ARG 623 HD3 ARG 623 -29.048 2.505 7.542 534 HE ARG 623 HE ARG 623 -26.978 3.725 9.155 535 1HH1 ARG 623 HH12 ARG 623 -28.717 4.426 6.176 536 2HH1 ARG 623 HH11 ARG 623 -28.761 6.132 6.548 537 1HH2 ARG 623 HH21 ARG 623 -26.942 5.732 9.468 538 2HH2 ARG 623 HH22 ARG 623 -27.697 6.907 8.388 539 H ARG 624 H ARG 624 -23.327 0.367 7.002 540 HA ARG 624 HA ARG 624 -21.896 -1.002 9.228 541 1HB ARG 624 HB2 ARG 624 -22.496 -2.102 7.011 542 2HB ARG 624 HB3 ARG 624 -21.289 -1.064 6.259 543 1HG ARG 624 HG2 ARG 624 -20.249 -3.104 6.617 544 2HG ARG 624 HG3 ARG 624 -19.597 -2.092 7.904 545 1HD ARG 624 HD2 ARG 624 -20.041 -4.071 9.032 546 2HD ARG 624 HD3 ARG 624 -21.555 -3.220 9.323 547 HE ARG 624 HE ARG 624 -22.661 -4.641 7.728 548 1HH1 ARG 624 HH11 ARG 624 -19.249 -5.647 7.931 549 2HH1 ARG 624 HH12 ARG 624 -19.564 -6.911 6.738 550 1HH2 ARG 624 HH21 ARG 624 -22.900 -6.285 6.483 551 2HH2 ARG 624 HH22 ARG 624 -21.556 -7.384 6.105 552 H MET 625 H MET 625 -21.432 1.794 7.088 553 HA MET 625 HA MET 625 -18.684 2.249 7.880 554 1HB MET 625 HB2 MET 625 -19.964 3.407 5.911 555 2HB MET 625 HB3 MET 625 -20.563 4.500 7.167 556 1HG MET 625 HG2 MET 625 -18.643 5.595 6.501 557 2HG MET 625 HG3 MET 625 -18.001 4.663 7.833 558 1HE MET 625 HE1 MET 625 -15.543 4.652 7.254 559 2HE MET 625 HE2 MET 625 -14.828 4.450 5.648 560 3HE MET 625 HE3 MET 625 -15.854 5.864 5.994 561 H GLU 626 H GLU 626 -21.857 3.237 9.306 562 HA GLU 626 HA GLU 626 -20.900 4.700 11.506 563 1HB GLU 626 HB2 GLU 626 -23.272 2.807 11.366 564 2HB GLU 626 HB3 GLU 626 -22.940 3.905 12.701 565 1HG GLU 626 HG2 GLU 626 -23.069 5.838 11.138 566 2HG GLU 626 HG3 GLU 626 -23.471 4.751 9.823 567 H ASN 627 H ASN 627 -21.013 1.149 11.176 568 HA ASN 627 HA ASN 627 -20.070 0.605 13.867 569 1HB ASN 627 HB2 ASN 627 -19.991 -1.091 11.329 570 2HB ASN 627 HB3 ASN 627 -19.424 -1.634 12.893 571 1HD2 ASN 627 HD22 ASN 627 -21.099 -3.324 12.177 572 2HD2 ASN 627 HD21 ASN 627 -22.730 -3.032 12.794 573 H LEU 628 H LEU 628 -18.378 1.057 10.745 574 HA LEU 628 HA LEU 628 -15.699 0.704 11.735 575 1HB LEU 628 HB2 LEU 628 -16.068 0.485 9.447 576 2HB LEU 628 HB3 LEU 628 -16.979 1.969 9.325 577 HG LEU 628 HG LEU 628 -15.065 3.348 9.365 578 1HD1 LEU 628 HD11 LEU 628 -13.412 0.880 10.015 579 2HD1 LEU 628 HD12 LEU 628 -12.749 2.424 9.423 580 3HD1 LEU 628 HD13 LEU 628 -13.533 2.373 10.970 581 1HD2 LEU 628 HD21 LEU 628 -13.897 2.559 7.396 582 2HD2 LEU 628 HD22 LEU 628 -14.384 0.879 7.706 583 3HD2 LEU 628 HD23 LEU 628 -15.603 2.084 7.260 584 H VAL 629 H VAL 629 -17.683 3.636 11.368 585 HA VAL 629 HA VAL 629 -15.859 5.542 12.433 586 HB VAL 629 HB VAL 629 -18.853 5.328 12.171 587 1HG1 VAL 629 HG11 VAL 629 -18.666 6.674 14.182 588 2HG1 VAL 629 HG12 VAL 629 -17.458 7.730 13.394 589 3HG1 VAL 629 HG13 VAL 629 -19.142 7.661 12.805 590 1HG2 VAL 629 HG21 VAL 629 -18.525 7.124 10.545 591 2HG2 VAL 629 HG22 VAL 629 -16.808 7.254 10.986 592 3HG2 VAL 629 HG23 VAL 629 -17.417 5.797 10.180 593 H ALA 630 H ALA 630 -18.296 3.570 14.204 594 HA ALA 630 HA ALA 630 -17.592 4.520 16.811 595 1HB ALA 630 HB1 ALA 630 -18.891 1.903 15.935 596 2HB ALA 630 HB2 ALA 630 -18.908 2.586 17.575 597 3HB ALA 630 HB3 ALA 630 -19.738 3.433 16.255 598 H TYR 631 H TYR 631 -16.460 1.668 14.939 599 HA TYR 631 HA TYR 631 -14.620 0.612 16.841 600 1HB TYR 631 HB2 TYR 631 -15.133 -0.775 15.064 601 2HB TYR 631 HB3 TYR 631 -15.025 0.498 13.874 602 HD1 TYR 631 HD1 TYR 631 -12.994 -1.918 15.856 603 HD2 TYR 631 HD2 TYR 631 -13.034 1.047 12.718 604 HE1 TYR 631 HE1 TYR 631 -10.748 -2.597 15.168 605 HE2 TYR 631 HE2 TYR 631 -10.784 0.280 11.981 606 HH TYR 631 HH TYR 631 -9.039 -1.094 12.385 607 H ALA 632 H ALA 632 -14.065 3.098 14.272 608 HA ALA 632 HA ALA 632 -11.341 3.600 14.966 609 1HB ALA 632 HB1 ALA 632 -12.330 4.213 12.812 610 2HB ALA 632 HB2 ALA 632 -13.404 5.383 13.609 611 3HB ALA 632 HB3 ALA 632 -11.643 5.637 13.615 612 H LYS 633 H LYS 633 -14.394 5.126 16.188 613 HA LYS 633 HA LYS 633 -13.073 6.983 17.979 614 1HB LYS 633 HB2 LYS 633 -15.811 5.654 18.058 615 2HB LYS 633 HB3 LYS 633 -15.267 6.804 19.283 616 1HG LYS 633 HG2 LYS 633 -14.938 8.542 17.603 617 2HG LYS 633 HG3 LYS 633 -15.387 7.426 16.306 618 1HD LYS 633 HD2 LYS 633 -17.652 7.174 17.274 619 2HD LYS 633 HD3 LYS 633 -17.215 8.296 18.583 620 1HE LYS 633 HE2 LYS 633 -16.752 10.066 16.884 621 2HE LYS 633 HE3 LYS 633 -17.228 8.947 15.598 622 1HZ LYS 633 HZ1 LYS 633 -19.064 10.412 16.234 623 2HZ LYS 633 HZ2 LYS 633 -19.460 8.870 16.589 624 3HZ LYS 633 HZ3 LYS 633 -19.015 9.896 17.779 625 H LYS 634 H LYS 634 -14.150 3.622 18.531 626 HA LYS 634 HA LYS 634 -13.251 3.372 21.230 627 1HB LYS 634 HB2 LYS 634 -14.825 1.880 20.109 628 2HB LYS 634 HB3 LYS 634 -13.584 1.270 19.041 629 1HG LYS 634 HG2 LYS 634 -13.433 1.013 22.075 630 2HG LYS 634 HG3 LYS 634 -14.320 -0.126 21.078 631 1HD LYS 634 HD2 LYS 634 -11.310 0.322 21.001 632 2HD LYS 634 HD3 LYS 634 -12.185 -1.051 21.662 633 1HE LYS 634 HE2 LYS 634 -13.107 -1.526 19.365 634 2HE LYS 634 HE3 LYS 634 -12.084 -0.233 18.724 635 1HZ LYS 634 HZ1 LYS 634 -11.108 -2.680 20.105 636 2HZ LYS 634 HZ2 LYS 634 -10.992 -2.386 18.507 637 3HZ LYS 634 HZ3 LYS 634 -10.139 -1.481 19.566 638 H VAL 635 H VAL 635 -11.507 2.603 18.186 639 HA VAL 635 HA VAL 635 -9.019 1.870 19.408 640 HB VAL 635 HB VAL 635 -9.643 3.008 16.661 641 1HG1 VAL 635 HG11 VAL 635 -6.995 1.917 17.711 642 2HG1 VAL 635 HG12 VAL 635 -7.371 2.214 16.000 643 3HG1 VAL 635 HG13 VAL 635 -7.296 3.568 17.127 644 1HG2 VAL 635 HG21 VAL 635 -10.470 0.679 17.189 645 2HG2 VAL 635 HG22 VAL 635 -9.252 0.711 15.914 646 3HG2 VAL 635 HG23 VAL 635 -8.802 0.209 17.557 647 H GLU 636 H GLU 636 -10.043 5.121 18.128 648 HA GLU 636 HA GLU 636 -7.716 6.488 18.886 649 1HB GLU 636 HB2 GLU 636 -9.545 7.349 17.451 650 2HB GLU 636 HB3 GLU 636 -10.566 7.575 18.860 651 1HG GLU 636 HG2 GLU 636 -7.840 8.897 18.465 652 2HG GLU 636 HG3 GLU 636 -9.345 9.624 17.935 653 H GLY 637 H GLY 637 -10.665 5.996 20.875 654 1HA GLY 637 HA2 GLY 637 -9.763 7.328 23.209 655 2HA GLY 637 HA3 GLY 637 -11.011 6.077 23.133 656 H ASP 638 H ASP 638 -8.978 4.055 22.065 657 HA ASP 638 HA ASP 638 -7.960 3.177 24.697 658 1HB ASP 638 HB2 ASP 638 -9.083 1.634 23.072 659 2HB ASP 638 HB3 ASP 638 -7.763 1.899 21.933 660 H MET 639 H MET 639 -6.643 4.291 21.548 661 HA MET 639 HA MET 639 -3.852 4.008 22.248 662 1HB MET 639 HB2 MET 639 -5.197 5.874 20.246 663 2HB MET 639 HB3 MET 639 -3.465 5.528 20.325 664 1HG MET 639 HG2 MET 639 -5.648 3.492 19.773 665 2HG MET 639 HG3 MET 639 -4.644 4.221 18.550 666 1HE MET 639 HE1 MET 639 -4.933 1.154 18.500 667 2HE MET 639 HE2 MET 639 -4.024 0.195 19.689 668 3HE MET 639 HE3 MET 639 -5.422 1.157 20.211 669 H TYR 640 H TYR 640 -6.177 6.683 22.560 670 HA TYR 640 HA TYR 640 -4.536 8.665 23.777 671 1HB TYR 640 HB2 TYR 640 -6.777 8.936 22.810 672 2HB TYR 640 HB3 TYR 640 -7.475 7.962 24.082 673 HD1 TYR 640 HD1 TYR 640 -7.927 8.907 26.282 674 HD2 TYR 640 HD2 TYR 640 -5.920 11.224 23.244 675 HE1 TYR 640 HE1 TYR 640 -8.396 11.000 27.561 676 HE2 TYR 640 HE2 TYR 640 -6.377 13.306 24.528 677 HH TYR 640 HH TYR 640 -7.423 14.224 26.345 678 H GLU 641 H GLU 641 -5.882 5.710 25.142 679 HA GLU 641 HA GLU 641 -5.177 6.563 27.885 680 1HB GLU 641 HB2 GLU 641 -7.438 5.525 27.137 681 2HB GLU 641 HB3 GLU 641 -6.556 4.000 27.087 682 1HG GLU 641 HG2 GLU 641 -7.670 4.132 29.143 683 2HG GLU 641 HG3 GLU 641 -5.980 4.380 29.544 684 H SER 642 H SER 642 -3.684 5.037 25.367 685 HA SER 642 HA SER 642 -2.085 3.144 27.040 686 1HB SER 642 HB2 SER 642 -2.448 3.328 24.031 687 2HB SER 642 HB3 SER 642 -1.458 2.124 24.876 688 HG SER 642 HG SER 642 -4.259 2.499 24.980 689 H ALA 643 H ALA 643 -1.624 6.242 26.472 690 HA ALA 643 HA ALA 643 1.287 6.019 25.809 691 1HB ALA 643 HB1 ALA 643 0.994 8.152 24.589 692 2HB ALA 643 HB2 ALA 643 -0.017 6.868 23.907 693 3HB ALA 643 HB3 ALA 643 -0.741 8.117 24.941 694 H ASN 644 H ASN 644 2.701 7.400 26.788 695 HA ASN 644 HA ASN 644 1.793 8.759 29.263 696 1HB ASN 644 HB2 ASN 644 3.869 8.434 30.111 697 2HB ASN 644 HB3 ASN 644 3.788 7.049 29.035 698 1HD2 ASN 644 HD22 ASN 644 4.831 7.488 26.740 699 2HD2 ASN 644 HD21 ASN 644 6.292 8.473 26.800 700 H SER 645 H SER 645 2.281 9.701 26.083 701 HA SER 645 HA SER 645 2.178 12.533 26.823 702 1HB SER 645 HB2 SER 645 4.018 13.239 25.449 703 2HB SER 645 HB3 SER 645 4.631 12.023 26.576 704 HG SER 645 HG SER 645 5.404 11.563 24.524 705 H ARG 646 H ARG 646 1.606 13.908 25.009 706 HA ARG 646 HA ARG 646 -0.353 12.943 23.176 707 1HB ARG 646 HB2 ARG 646 -0.256 15.220 23.913 708 2HB ARG 646 HB3 ARG 646 1.351 15.468 23.270 709 1HG ARG 646 HG2 ARG 646 -1.100 14.894 21.539 710 2HG ARG 646 HG3 ARG 646 -0.604 16.511 22.014 711 1HD ARG 646 HD2 ARG 646 0.852 14.623 20.161 712 2HD ARG 646 HD3 ARG 646 0.157 16.177 19.792 713 HE ARG 646 HE ARG 646 2.732 15.634 21.184 714 1HH1 ARG 646 HH21 ARG 646 0.665 18.218 19.916 715 2HH1 ARG 646 HH22 ARG 646 1.824 19.416 20.414 716 1HH2 ARG 646 HH11 ARG 646 4.111 17.081 21.544 717 2HH2 ARG 646 HH12 ARG 646 3.805 18.798 21.270 718 H ASP 647 H ASP 647 3.140 13.465 22.727 719 HA ASP 647 HA ASP 647 3.233 12.939 19.924 720 1HB ASP 647 HB2 ASP 647 5.297 12.741 22.156 721 2HB ASP 647 HB3 ASP 647 5.673 12.473 20.458 722 H GLU 648 H GLU 648 3.669 10.719 22.744 723 HA GLU 648 HA GLU 648 4.072 8.364 21.109 724 1HB GLU 648 HB2 GLU 648 4.817 8.519 23.433 725 2HB GLU 648 HB3 GLU 648 3.147 8.655 23.993 726 1HG GLU 648 HG2 GLU 648 2.654 6.385 23.201 727 2HG GLU 648 HG3 GLU 648 4.234 6.282 22.415 728 H TYR 649 H TYR 649 1.131 9.865 22.525 729 HA TYR 649 HA TYR 649 -0.756 7.889 21.725 730 1HB TYR 649 HB2 TYR 649 -1.646 9.387 23.169 731 2HB TYR 649 HB3 TYR 649 -0.764 10.749 22.530 732 HD1 TYR 649 HD1 TYR 649 -1.804 12.354 21.187 733 HD2 TYR 649 HD2 TYR 649 -3.619 8.478 21.678 734 HE1 TYR 649 HE1 TYR 649 -3.893 13.205 20.157 735 HE2 TYR 649 HE2 TYR 649 -5.753 9.359 20.724 736 HH TYR 649 HH TYR 649 -6.891 11.245 20.102 737 H TYR 650 H TYR 650 0.170 10.887 19.907 738 HA TYR 650 HA TYR 650 -1.083 10.208 17.457 739 1HB TYR 650 HB2 TYR 650 1.216 11.927 18.339 740 2HB TYR 650 HB3 TYR 650 1.356 11.374 16.695 741 HD1 TYR 650 HD1 TYR 650 -1.459 11.401 15.722 742 HD2 TYR 650 HD2 TYR 650 0.851 14.213 18.016 743 HE1 TYR 650 HE1 TYR 650 -2.817 13.266 14.798 744 HE2 TYR 650 HE2 TYR 650 -0.516 16.094 17.090 745 HH TYR 650 HH TYR 650 -3.056 15.493 14.653 746 H HIS 651 H HIS 651 2.232 9.249 18.521 747 HA HIS 651 HA HIS 651 2.854 7.814 16.156 748 1HB HIS 651 HB2 HIS 651 4.474 8.451 17.942 749 2HB HIS 651 HB3 HIS 651 3.815 7.172 18.966 750 HD1 HIS 651 HD1 HIS 651 5.628 7.527 15.544 751 HD2 HIS 651 HD2 HIS 651 4.771 4.736 18.577 752 HE1 HIS 651 HE1 HIS 651 6.920 5.414 14.952 753 H LEU 652 H LEU 652 1.118 6.641 19.079 754 HA LEU 652 HA LEU 652 0.757 3.945 18.123 755 1HB LEU 652 HB2 LEU 652 -0.770 5.658 20.122 756 2HB LEU 652 HB3 LEU 652 -1.170 3.984 19.788 757 HG LEU 652 HG LEU 652 1.506 4.903 20.908 758 1HD1 LEU 652 HD11 LEU 652 -0.848 3.489 22.230 759 2HD1 LEU 652 HD12 LEU 652 0.689 3.945 23.003 760 3HD1 LEU 652 HD13 LEU 652 -0.434 5.198 22.447 761 1HD2 LEU 652 HD21 LEU 652 1.845 2.511 21.411 762 2HD2 LEU 652 HD22 LEU 652 0.346 2.109 20.556 763 3HD2 LEU 652 HD23 LEU 652 1.744 2.781 19.673 764 H LEU 653 H LEU 653 -1.375 6.853 17.797 765 HA LEU 653 HA LEU 653 -3.414 5.573 16.239 766 1HB LEU 653 HB2 LEU 653 -2.329 8.421 16.105 767 2HB LEU 653 HB3 LEU 653 -3.756 7.869 15.257 768 HG LEU 653 HG LEU 653 -3.472 8.014 18.279 769 1HD1 LEU 653 HD11 LEU 653 -5.126 9.854 18.015 770 2HD1 LEU 653 HD12 LEU 653 -3.591 10.216 17.217 771 3HD1 LEU 653 HD13 LEU 653 -4.999 9.706 16.257 772 1HD2 LEU 653 HD21 LEU 653 -5.844 7.577 18.376 773 2HD2 LEU 653 HD22 LEU 653 -5.947 7.416 16.610 774 3HD2 LEU 653 HD23 LEU 653 -5.058 6.215 17.571 775 H ALA 654 H ALA 654 -0.368 7.141 15.195 776 HA ALA 654 HA ALA 654 -0.786 6.682 12.423 777 1HB ALA 654 HB1 ALA 654 1.803 7.250 13.924 778 2HB ALA 654 HB2 ALA 654 1.495 7.499 12.190 779 3HB ALA 654 HB3 ALA 654 0.633 8.479 13.382 780 H GLU 655 H GLU 655 0.960 4.695 14.845 781 HA GLU 655 HA GLU 655 1.955 2.727 13.025 782 1HB GLU 655 HB2 GLU 655 2.617 2.933 15.422 783 2HB GLU 655 HB3 GLU 655 1.010 2.367 15.900 784 1HG GLU 655 HG2 GLU 655 1.455 0.221 14.645 785 2HG GLU 655 HG3 GLU 655 3.074 0.813 14.271 786 H LYS 656 H LYS 656 -1.264 3.003 14.648 787 HA LYS 656 HA LYS 656 -2.214 0.531 13.387 788 1HB LYS 656 HB2 LYS 656 -3.367 2.548 15.259 789 2HB LYS 656 HB3 LYS 656 -4.512 1.751 14.176 790 1HG LYS 656 HG2 LYS 656 -4.302 0.572 16.282 791 2HG LYS 656 HG3 LYS 656 -3.927 -0.403 14.869 792 1HD LYS 656 HD2 LYS 656 -2.483 -1.013 16.674 793 2HD LYS 656 HD3 LYS 656 -1.506 -0.300 15.395 794 1HE LYS 656 HE2 LYS 656 -1.249 1.751 16.606 795 2HE LYS 656 HE3 LYS 656 -2.537 1.334 17.737 796 1HZ LYS 656 HZ1 LYS 656 0.153 0.056 17.587 797 2HZ LYS 656 HZ2 LYS 656 -0.428 0.973 18.792 798 3HZ LYS 656 HZ3 LYS 656 -1.068 -0.505 18.533 799 H ILE 657 H ILE 657 -2.442 3.973 12.433 800 HA ILE 657 HA ILE 657 -3.983 3.491 10.050 801 HB ILE 657 HB ILE 657 -1.866 5.560 10.725 802 1HG1 ILE 657 HG12 ILE 657 -4.857 5.428 10.627 803 2HG1 ILE 657 HG13 ILE 657 -3.774 6.237 11.760 804 1HG2 ILE 657 HG21 ILE 657 -2.237 6.691 8.568 805 2HG2 ILE 657 HG22 ILE 657 -1.501 5.138 8.348 806 3HG2 ILE 657 HG23 ILE 657 -3.234 5.322 8.025 807 1HD1 ILE 657 HD11 ILE 657 -4.664 7.234 9.032 808 2HD1 ILE 657 HD12 ILE 657 -5.033 7.918 10.621 809 3HD1 ILE 657 HD13 ILE 657 -3.384 8.011 9.989 810 H TYR 658 H TYR 658 -0.405 3.412 10.496 811 HA TYR 658 HA TYR 658 0.263 2.502 7.920 812 1HB TYR 658 HB2 TYR 658 1.861 3.365 9.571 813 2HB TYR 658 HB3 TYR 658 1.620 1.959 10.585 814 HD1 TYR 658 HD1 TYR 658 2.470 -0.305 9.877 815 HD2 TYR 658 HD2 TYR 658 3.280 3.259 7.544 816 HE1 TYR 658 HE1 TYR 658 4.393 -1.433 8.798 817 HE2 TYR 658 HE2 TYR 658 5.153 2.133 6.501 818 HH TYR 658 HH TYR 658 6.059 -1.271 7.269 819 H LYS 659 H LYS 659 -0.325 0.467 10.844 820 HA LYS 659 HA LYS 659 0.073 -2.027 9.631 821 1HB LYS 659 HB2 LYS 659 -0.224 -1.537 12.085 822 2HB LYS 659 HB3 LYS 659 -1.964 -1.420 11.832 823 1HG LYS 659 HG2 LYS 659 -0.816 -3.887 10.670 824 2HG LYS 659 HG3 LYS 659 -0.401 -3.708 12.369 825 1HD LYS 659 HD2 LYS 659 -2.328 -4.984 12.446 826 2HD LYS 659 HD3 LYS 659 -2.937 -3.361 12.797 827 1HE LYS 659 HE2 LYS 659 -3.674 -3.132 10.441 828 2HE LYS 659 HE3 LYS 659 -2.921 -4.679 10.037 829 1HZ LYS 659 HZ1 LYS 659 -4.523 -5.743 11.586 830 2HZ LYS 659 HZ2 LYS 659 -5.279 -4.295 11.793 831 3HZ LYS 659 HZ3 LYS 659 -5.236 -5.015 10.317 832 H ILE 660 H ILE 660 -3.056 -0.291 9.922 833 HA ILE 660 HA ILE 660 -4.545 -2.347 8.514 834 HB ILE 660 HB ILE 660 -5.228 0.547 9.122 835 1HG1 ILE 660 HG12 ILE 660 -6.093 -2.040 10.518 836 2HG1 ILE 660 HG13 ILE 660 -4.797 -1.010 11.106 837 1HG2 ILE 660 HG21 ILE 660 -6.971 -1.762 8.120 838 2HG2 ILE 660 HG22 ILE 660 -7.601 -0.226 8.726 839 3HG2 ILE 660 HG23 ILE 660 -6.624 -0.238 7.270 840 1HD1 ILE 660 HD11 ILE 660 -7.735 -0.363 11.000 841 2HD1 ILE 660 HD12 ILE 660 -6.652 -0.394 12.393 842 3HD1 ILE 660 HD13 ILE 660 -6.491 0.904 11.204 843 H GLN 661 H GLN 661 -2.889 0.624 7.448 844 HA GLN 661 HA GLN 661 -3.936 0.597 4.757 845 1HB GLN 661 HB2 GLN 661 -2.823 2.552 5.924 846 2HB GLN 661 HB3 GLN 661 -1.280 1.719 5.747 847 1HG GLN 661 HG2 GLN 661 -1.391 3.263 3.943 848 2HG GLN 661 HG3 GLN 661 -1.704 1.680 3.237 849 1HE2 GLN 661 HE22 GLN 661 -3.055 2.183 1.519 850 2HE2 GLN 661 HE21 GLN 661 -4.568 3.084 1.692 851 H LYS 662 H LYS 662 -0.869 -0.624 6.134 852 HA LYS 662 HA LYS 662 0.133 -1.903 3.740 853 1HB LYS 662 HB2 LYS 662 0.705 -2.259 6.714 854 2HB LYS 662 HB3 LYS 662 1.653 -3.039 5.472 855 1HG LYS 662 HG2 LYS 662 1.386 -0.012 5.752 856 2HG LYS 662 HG3 LYS 662 2.668 -1.003 6.427 857 1HD LYS 662 HD2 LYS 662 3.679 -0.186 4.521 858 2HD LYS 662 HD3 LYS 662 3.134 -1.790 4.015 859 1HE LYS 662 HE2 LYS 662 0.950 -0.306 3.301 860 2HE LYS 662 HE3 LYS 662 2.152 0.964 3.244 861 1HZ LYS 662 HZ1 LYS 662 1.790 -0.277 1.126 862 2HZ LYS 662 HZ2 LYS 662 3.376 -0.303 1.598 863 3HZ LYS 662 HZ3 LYS 662 2.424 -1.621 1.790 864 H GLU 663 H GLU 663 -1.880 -3.126 6.387 865 HA GLU 663 HA GLU 663 -2.063 -5.824 5.445 866 1HB GLU 663 HB2 GLU 663 -2.784 -5.156 7.661 867 2HB GLU 663 HB3 GLU 663 -4.050 -4.122 6.991 868 1HG GLU 663 HG2 GLU 663 -5.245 -6.066 6.124 869 2HG GLU 663 HG3 GLU 663 -3.912 -7.134 6.599 870 H LEU 664 H LEU 664 -4.314 -3.030 4.711 871 HA LEU 664 HA LEU 664 -5.918 -4.495 2.876 872 1HB LEU 664 HB2 LEU 664 -5.367 -1.574 3.382 873 2HB LEU 664 HB3 LEU 664 -6.095 -2.021 1.847 874 HG LEU 664 HG LEU 664 -7.900 -3.264 3.060 875 1HD1 LEU 664 HD11 LEU 664 -6.943 -1.765 5.515 876 2HD1 LEU 664 HD12 LEU 664 -8.300 -2.889 5.400 877 3HD1 LEU 664 HD13 LEU 664 -6.663 -3.504 5.273 878 1HD2 LEU 664 HD21 LEU 664 -7.512 -0.280 3.522 879 2HD2 LEU 664 HD22 LEU 664 -8.334 -1.086 2.156 880 3HD2 LEU 664 HD23 LEU 664 -9.040 -1.116 3.776 881 H GLU 665 H GLU 665 -2.941 -2.607 2.243 882 HA GLU 665 HA GLU 665 -2.916 -3.059 -0.567 883 1HB GLU 665 HB2 GLU 665 -0.847 -2.185 1.458 884 2HB GLU 665 HB3 GLU 665 -0.456 -2.355 -0.261 885 1HG GLU 665 HG2 GLU 665 -2.178 -0.798 -0.923 886 2HG GLU 665 HG3 GLU 665 -2.839 -0.720 0.706 887 H GLU 666 H GLU 666 -2.593 -5.504 1.669 888 HA GLU 666 HA GLU 666 -1.447 -7.211 -0.499 889 1HB GLU 666 HB2 GLU 666 -0.378 -8.680 1.014 890 2HB GLU 666 HB3 GLU 666 0.238 -7.049 1.255 891 1HG GLU 666 HG2 GLU 666 -1.122 -6.819 3.304 892 2HG GLU 666 HG3 GLU 666 -1.817 -8.420 3.049 893 H LYS 667 H LYS 667 -3.787 -7.012 2.159 894 HA LYS 667 HA LYS 667 -5.181 -9.469 1.543 895 1HB LYS 667 HB2 LYS 667 -6.047 -6.925 2.985 896 2HB LYS 667 HB3 LYS 667 -7.042 -8.364 2.894 897 1HG LYS 667 HG2 LYS 667 -4.295 -8.204 4.209 898 2HG LYS 667 HG3 LYS 667 -5.846 -8.183 5.035 899 1HD LYS 667 HD2 LYS 667 -4.686 -10.520 3.462 900 2HD LYS 667 HD3 LYS 667 -4.772 -10.353 5.216 901 1HE LYS 667 HE2 LYS 667 -7.284 -10.225 5.045 902 2HE LYS 667 HE3 LYS 667 -7.147 -10.553 3.311 903 1HZ LYS 667 HZ1 LYS 667 -6.073 -12.677 3.876 904 2HZ LYS 667 HZ2 LYS 667 -6.221 -12.370 5.474 905 3HZ LYS 667 HZ3 LYS 667 -7.552 -12.592 4.559 906 H ARG 668 H ARG 668 -5.209 -6.456 -0.145 907 HA ARG 668 HA ARG 668 -7.483 -7.465 -1.846 908 1HB ARG 668 HB2 ARG 668 -6.365 -4.647 -1.641 909 2HB ARG 668 HB3 ARG 668 -7.717 -5.142 -2.644 910 1HG ARG 668 HG2 ARG 668 -7.734 -5.222 0.408 911 2HG ARG 668 HG3 ARG 668 -8.339 -3.908 -0.583 912 1HD ARG 668 HD2 ARG 668 -10.213 -5.164 0.096 913 2HD ARG 668 HD3 ARG 668 -9.994 -5.449 -1.637 914 HE ARG 668 HE ARG 668 -8.701 -7.436 0.103 915 1HH1 ARG 668 HH11 ARG 668 -11.820 -6.905 -1.385 916 2HH1 ARG 668 HH12 ARG 668 -11.950 -8.582 -1.858 917 1HH2 ARG 668 HH21 ARG 668 -8.945 -9.468 -0.424 918 2HH2 ARG 668 HH22 ARG 668 -10.404 -10.038 -1.207 919 H ARG 669 H ARG 669 -4.190 -7.578 -1.860 920 HA ARG 669 HA ARG 669 -3.811 -7.349 -4.785 921 1HB ARG 669 HB2 ARG 669 -2.002 -6.861 -3.127 922 2HB ARG 669 HB3 ARG 669 -2.018 -8.560 -2.630 923 1HG ARG 669 HG2 ARG 669 -1.323 -9.261 -4.880 924 2HG ARG 669 HG3 ARG 669 -1.410 -7.582 -5.456 925 1HD ARG 669 HD2 ARG 669 0.390 -6.938 -3.924 926 2HD ARG 669 HD3 ARG 669 0.422 -8.576 -3.232 927 HE ARG 669 HE ARG 669 0.804 -8.866 -6.009 928 1HH1 ARG 669 HH12 ARG 669 2.611 -7.424 -3.376 929 2HH1 ARG 669 HH11 ARG 669 4.145 -7.723 -4.148 930 1HH2 ARG 669 HH21 ARG 669 2.788 -9.229 -6.928 931 2HH2 ARG 669 HH22 ARG 669 4.234 -8.718 -6.108 932 H SER 670 H SER 670 -4.832 -9.781 -2.513 933 HA SER 670 HA SER 670 -4.297 -12.182 -3.851 934 1HB SER 670 HB2 SER 670 -6.170 -13.048 -2.446 935 2HB SER 670 HB3 SER 670 -4.986 -12.083 -1.550 936 HG SER 670 HG SER 670 -7.137 -11.491 -1.029 937 H ARG 671 H ARG 671 -6.516 -9.777 -4.912 938 HA ARG 671 HA ARG 671 -8.414 -11.394 -6.372 939 1HB ARG 671 HB2 ARG 671 -7.393 -8.556 -6.773 940 2HB ARG 671 HB3 ARG 671 -8.723 -9.258 -7.695 941 1HG ARG 671 HG2 ARG 671 -10.067 -9.577 -5.685 942 2HG ARG 671 HG3 ARG 671 -8.758 -8.979 -4.654 943 1HD ARG 671 HD2 ARG 671 -10.145 -7.368 -6.835 944 2HD ARG 671 HD3 ARG 671 -10.511 -7.264 -5.105 945 HE ARG 671 HE ARG 671 -7.923 -6.747 -4.944 946 1HH1 ARG 671 HH12 ARG 671 -9.965 -5.430 -7.484 947 2HH1 ARG 671 HH11 ARG 671 -8.897 -4.074 -7.721 948 1HH2 ARG 671 HH21 ARG 671 -6.649 -5.108 -5.316 949 2HH2 ARG 671 HH22 ARG 671 -7.051 -3.874 -6.487 950 H LEU 672 H LEU 672 -5.086 -10.600 -7.072 951 HA LEU 672 HA LEU 672 -5.079 -10.909 -9.924 952 1HB LEU 672 HB2 LEU 672 -2.902 -11.363 -7.842 953 2HB LEU 672 HB3 LEU 672 -2.624 -11.341 -9.577 954 HG LEU 672 HG LEU 672 -3.641 -8.965 -7.954 955 1HD1 LEU 672 HD11 LEU 672 -0.915 -9.531 -9.194 956 2HD1 LEU 672 HD12 LEU 672 -1.396 -8.055 -8.326 957 3HD1 LEU 672 HD13 LEU 672 -1.301 -9.598 -7.460 958 1HD2 LEU 672 HD21 LEU 672 -4.422 -8.826 -10.272 959 2HD2 LEU 672 HD22 LEU 672 -2.782 -9.176 -10.870 960 3HD2 LEU 672 HD23 LEU 672 -3.123 -7.664 -9.997 961 1H SER 839 H1 SER 839 -2.604 -4.859 25.508 962 2H SER 839 H2 SER 839 -1.074 -5.380 25.786 963 3H SER 839 H3 SER 839 -1.440 -4.610 24.382 964 HA SER 839 HA SER 839 -1.208 -6.942 23.967 965 1HB SER 839 HB2 SER 839 -3.443 -7.249 26.014 966 2HB SER 839 HB3 SER 839 -2.697 -8.550 25.062 967 HG SER 839 HG SER 839 -1.757 -8.389 27.138 968 H ASP 840 H ASP 840 -2.821 -8.275 22.670 969 HA ASP 840 HA ASP 840 -5.260 -6.838 21.795 970 1HB ASP 840 HB2 ASP 840 -3.405 -6.004 20.361 971 2HB ASP 840 HB3 ASP 840 -3.010 -7.664 19.913 972 H ALA 841 H ALA 841 -6.788 -8.190 20.737 973 HA ALA 841 HA ALA 841 -6.881 -10.864 21.751 974 1HB ALA 841 HB1 ALA 841 -8.662 -9.418 19.743 975 2HB ALA 841 HB2 ALA 841 -9.072 -10.905 20.624 976 3HB ALA 841 HB3 ALA 841 -8.839 -9.391 21.515 977 H GLY 842 H GLY 842 -5.635 -9.689 18.689 978 1HA GLY 842 HA2 GLY 842 -4.317 -11.916 17.887 979 2HA GLY 842 HA3 GLY 842 -5.934 -12.243 17.249 980 H ASN 843 H ASN 843 -6.649 -9.595 16.580 981 HA ASN 843 HA ASN 843 -4.588 -8.348 14.966 982 1HB ASN 843 HB2 ASN 843 -5.579 -10.159 13.459 983 2HB ASN 843 HB3 ASN 843 -7.117 -9.303 13.541 984 1HD2 ASN 843 HD22 ASN 843 -6.329 -9.624 11.074 985 2HD2 ASN 843 HD21 ASN 843 -5.503 -8.216 10.409 986 H ILE 844 H ILE 844 -5.011 -6.228 14.595 987 HA ILE 844 HA ILE 844 -6.610 -4.737 16.358 988 HB ILE 844 HB ILE 844 -4.843 -4.282 14.041 989 1HG1 ILE 844 HG12 ILE 844 -4.143 -4.268 16.434 990 2HG1 ILE 844 HG13 ILE 844 -3.626 -2.894 15.466 991 1HG2 ILE 844 HG21 ILE 844 -6.707 -2.001 14.719 992 2HG2 ILE 844 HG22 ILE 844 -5.220 -1.905 13.755 993 3HG2 ILE 844 HG23 ILE 844 -6.590 -2.857 13.176 994 1HD1 ILE 844 HD11 ILE 844 -5.984 -2.835 17.409 995 2HD1 ILE 844 HD12 ILE 844 -4.356 -2.212 17.733 996 3HD1 ILE 844 HD13 ILE 844 -5.350 -1.453 16.484 997 H LEU 845 H LEU 845 -7.616 -6.045 13.295 998 HA LEU 845 HA LEU 845 -9.936 -4.175 13.056 999 1HB LEU 845 HB2 LEU 845 -8.227 -4.181 11.284 1000 2HB LEU 845 HB3 LEU 845 -8.415 -5.915 11.088 1001 HG LEU 845 HG LEU 845 -10.831 -5.457 10.361 1002 1HD1 LEU 845 HD11 LEU 845 -9.758 -2.619 10.162 1003 2HD1 LEU 845 HD12 LEU 845 -11.209 -3.225 9.343 1004 3HD1 LEU 845 HD13 LEU 845 -11.151 -3.170 11.123 1005 1HD2 LEU 845 HD21 LEU 845 -9.024 -6.039 8.794 1006 2HD2 LEU 845 HD22 LEU 845 -10.101 -4.836 8.069 1007 3HD2 LEU 845 HD23 LEU 845 -8.525 -4.339 8.713 1008 HA PRO 846 HA PRO 846 -12.388 -7.874 14.429 1009 1HB PRO 846 HB2 PRO 846 -14.291 -5.516 14.185 1010 2HB PRO 846 HB3 PRO 846 -14.351 -6.873 15.369 1011 1HG PRO 846 HG2 PRO 846 -13.338 -4.517 16.105 1012 2HG PRO 846 HG3 PRO 846 -12.365 -5.992 16.460 1013 1HD PRO 846 HD2 PRO 846 -12.133 -4.109 14.085 1014 2HD PRO 846 HD3 PRO 846 -10.852 -4.696 15.200 1015 H SER 847 H SER 847 -13.834 -9.185 13.338 1016 HA SER 847 HA SER 847 -13.707 -9.290 10.587 1017 1HB SER 847 HB2 SER 847 -15.850 -10.559 12.320 1018 2HB SER 847 HB3 SER 847 -15.335 -11.089 10.707 1019 HG SER 847 HG SER 847 -14.314 -12.290 12.384 1020 H ASP 848 H ASP 848 -16.397 -7.826 12.456 1021 HA ASP 848 HA ASP 848 -18.225 -7.587 10.266 1022 1HB ASP 848 HB2 ASP 848 -18.842 -7.420 12.656 1023 2HB ASP 848 HB3 ASP 848 -17.963 -5.896 12.784 1024 H ILE 849 H ILE 849 -15.649 -5.413 11.403 1025 HA ILE 849 HA ILE 849 -16.241 -3.348 9.388 1026 HB ILE 849 HB ILE 849 -13.873 -3.658 11.296 1027 1HG1 ILE 849 HG12 ILE 849 -14.952 -1.428 12.165 1028 2HG1 ILE 849 HG13 ILE 849 -16.418 -1.968 11.359 1029 1HG2 ILE 849 HG21 ILE 849 -14.625 -1.326 9.475 1030 2HG2 ILE 849 HG22 ILE 849 -13.269 -1.381 10.631 1031 3HG2 ILE 849 HG23 ILE 849 -13.260 -2.411 9.210 1032 1HD1 ILE 849 HD11 ILE 849 -16.437 -3.977 12.870 1033 2HD1 ILE 849 HD12 ILE 849 -14.918 -3.394 13.600 1034 3HD1 ILE 849 HD13 ILE 849 -16.412 -2.458 13.767 1035 H MET 850 H MET 850 -13.792 -5.960 9.873 1036 HA MET 850 HA MET 850 -12.256 -5.517 7.575 1037 1HB MET 850 HB2 MET 850 -11.740 -7.195 9.372 1038 2HB MET 850 HB3 MET 850 -13.006 -8.235 8.720 1039 1HG MET 850 HG2 MET 850 -11.809 -8.380 6.567 1040 2HG MET 850 HG3 MET 850 -10.592 -7.250 7.146 1041 1HE MET 850 HE1 MET 850 -12.072 -10.829 7.252 1042 2HE MET 850 HE2 MET 850 -11.081 -11.670 8.464 1043 3HE MET 850 HE3 MET 850 -12.263 -10.453 8.982 1044 H ASP 851 H ASP 851 -15.171 -7.620 7.797 1045 HA ASP 851 HA ASP 851 -15.274 -8.556 5.169 1046 1HB ASP 851 HB2 ASP 851 -16.659 -9.430 6.945 1047 2HB ASP 851 HB3 ASP 851 -17.409 -7.861 7.230 1048 H PHE 852 H PHE 852 -16.595 -5.474 6.406 1049 HA PHE 852 HA PHE 852 -17.751 -4.616 3.889 1050 1HB PHE 852 HB2 PHE 852 -18.316 -3.886 6.250 1051 2HB PHE 852 HB3 PHE 852 -16.828 -2.980 6.293 1052 HD1 PHE 852 HD1 PHE 852 -17.222 -0.682 6.153 1053 HD2 PHE 852 HD2 PHE 852 -19.666 -3.350 3.797 1054 HE1 PHE 852 HE1 PHE 852 -18.528 1.247 5.306 1055 HE2 PHE 852 HE2 PHE 852 -20.960 -1.412 2.956 1056 HZ PHE 852 HZ PHE 852 -20.395 0.890 3.707 1057 H VAL 853 H VAL 853 -14.709 -3.873 5.612 1058 HA VAL 853 HA VAL 853 -13.609 -2.067 3.709 1059 HB VAL 853 HB VAL 853 -12.312 -3.815 5.854 1060 1HG1 VAL 853 HG11 VAL 853 -10.554 -3.381 4.220 1061 2HG1 VAL 853 HG12 VAL 853 -11.099 -1.690 4.047 1062 3HG1 VAL 853 HG13 VAL 853 -10.367 -2.238 5.565 1063 1HG2 VAL 853 HG21 VAL 853 -12.663 -0.812 5.665 1064 2HG2 VAL 853 HG22 VAL 853 -13.805 -1.856 6.540 1065 3HG2 VAL 853 HG23 VAL 853 -12.110 -1.745 7.055 1066 H LEU 854 H LEU 854 -13.415 -5.663 3.808 1067 HA LEU 854 HA LEU 854 -11.615 -5.874 1.577 1068 1HB LEU 854 HB2 LEU 854 -13.770 -7.871 2.382 1069 2HB LEU 854 HB3 LEU 854 -12.417 -8.147 1.304 1070 HG LEU 854 HG LEU 854 -12.466 -8.035 4.291 1071 1HD1 LEU 854 HD11 LEU 854 -11.036 -9.833 2.322 1072 2HD1 LEU 854 HD12 LEU 854 -11.160 -10.052 4.082 1073 3HD1 LEU 854 HD13 LEU 854 -12.614 -10.160 3.076 1074 1HD2 LEU 854 HD21 LEU 854 -10.685 -6.426 3.818 1075 2HD2 LEU 854 HD22 LEU 854 -10.021 -7.944 4.410 1076 3HD2 LEU 854 HD23 LEU 854 -9.940 -7.568 2.667 1077 H LYS 855 H LYS 855 -15.190 -5.830 1.710 1078 HA LYS 855 HA LYS 855 -15.497 -6.390 -1.130 1079 1HB LYS 855 HB2 LYS 855 -17.357 -5.708 1.171 1080 2HB LYS 855 HB3 LYS 855 -17.965 -5.759 -0.480 1081 1HG LYS 855 HG2 LYS 855 -17.152 -8.067 -0.768 1082 2HG LYS 855 HG3 LYS 855 -16.524 -8.078 0.878 1083 1HD LYS 855 HD2 LYS 855 -19.474 -7.663 0.165 1084 2HD LYS 855 HD3 LYS 855 -18.738 -9.229 0.567 1085 1HE LYS 855 HE2 LYS 855 -17.910 -8.227 2.704 1086 2HE LYS 855 HE3 LYS 855 -18.850 -6.770 2.372 1087 1HZ LYS 855 HZ1 LYS 855 -20.868 -8.115 2.467 1088 2HZ LYS 855 HZ2 LYS 855 -19.993 -9.495 2.662 1089 3HZ LYS 855 HZ3 LYS 855 -19.967 -8.372 3.833 1090 H ASN 856 H ASN 856 -15.958 -3.375 0.771 1091 HA ASN 856 HA ASN 856 -17.267 -2.033 -1.366 1092 1HB ASN 856 HB2 ASN 856 -16.957 -1.490 1.294 1093 2HB ASN 856 HB3 ASN 856 -15.905 -0.329 0.526 1094 1HD2 ASN 856 HD22 ASN 856 -19.053 -0.782 1.556 1095 2HD2 ASN 856 HD21 ASN 856 -19.843 0.323 0.422 1096 H THR 857 H THR 857 -13.778 -1.790 -0.441 1097 HA THR 857 HA THR 857 -13.293 0.372 -2.200 1098 HB THR 857 HB THR 857 -10.867 -0.128 -1.888 1099 HG1 THR 857 HG1 THR 857 -10.410 -1.660 -0.253 1100 1HG2 THR 857 HG21 THR 857 -12.585 -0.043 0.630 1101 2HG2 THR 857 HG22 THR 857 -10.864 0.379 0.523 1102 3HG2 THR 857 HG23 THR 857 -12.064 1.353 -0.348 1103 HA PRO 858 HA PRO 858 -11.333 -2.364 -5.479 1104 1HB PRO 858 HB2 PRO 858 -11.862 -5.014 -5.809 1105 2HB PRO 858 HB3 PRO 858 -10.663 -4.410 -4.621 1106 1HG PRO 858 HG2 PRO 858 -13.570 -5.142 -4.099 1107 2HG PRO 858 HG3 PRO 858 -12.107 -5.724 -3.238 1108 1HD PRO 858 HD2 PRO 858 -13.528 -3.647 -2.274 1109 2HD PRO 858 HD3 PRO 858 -11.746 -3.642 -2.232 1110 H SER 859 H SER 859 -14.750 -3.131 -4.783 1111 HA SER 859 HA SER 859 -15.503 -2.561 -7.594 1112 1HB SER 859 HB2 SER 859 -16.582 -4.778 -7.877 1113 2HB SER 859 HB3 SER 859 -14.818 -4.874 -7.750 1114 HG SER 859 HG SER 859 -15.844 -6.458 -6.455 1115 H MET 860 H MET 860 -16.773 -3.720 -4.406 1116 HA MET 860 HA MET 860 -19.494 -3.028 -5.177 1117 1HB MET 860 HB2 MET 860 -18.505 -3.888 -2.438 1118 2HB MET 860 HB3 MET 860 -20.158 -3.902 -3.048 1119 1HG MET 860 HG2 MET 860 -19.440 -5.533 -4.824 1120 2HG MET 860 HG3 MET 860 -17.855 -5.613 -4.043 1121 1HE MET 860 HE1 MET 860 -19.440 -8.229 -4.656 1122 2HE MET 860 HE2 MET 860 -17.881 -8.163 -3.802 1123 3HE MET 860 HE3 MET 860 -19.228 -9.104 -3.123 1124 H GLN 861 H GLN 861 -18.123 -0.793 -5.483 1125 HA GLN 861 HA GLN 861 -17.729 0.991 -3.320 1126 1HB GLN 861 HB2 GLN 861 -17.873 1.380 -6.322 1127 2HB GLN 861 HB3 GLN 861 -17.394 2.650 -5.186 1128 1HG GLN 861 HG2 GLN 861 -15.542 1.253 -4.351 1129 2HG GLN 861 HG3 GLN 861 -15.965 -0.028 -5.489 1130 1HE2 GLN 861 HE22 GLN 861 -13.397 0.837 -5.602 1131 2HE2 GLN 861 HE21 GLN 861 -13.175 1.865 -7.015 1132 H ALA 862 H ALA 862 -20.004 0.550 -2.391 1133 HA ALA 862 HA ALA 862 -21.830 2.808 -2.986 1134 1HB ALA 862 HB1 ALA 862 -23.730 1.265 -3.379 1135 2HB ALA 862 HB2 ALA 862 -22.454 0.987 -4.571 1136 3HB ALA 862 HB3 ALA 862 -22.645 -0.132 -3.204 1137 H LEU 863 H LEU 863 -23.846 2.599 -1.546 1138 HA LEU 863 HA LEU 863 -23.180 2.296 1.277 1139 1HB LEU 863 HB2 LEU 863 -25.740 2.954 -0.236 1140 2HB LEU 863 HB3 LEU 863 -25.687 2.704 1.503 1141 HG LEU 863 HG LEU 863 -24.061 4.565 1.748 1142 1HD1 LEU 863 HD11 LEU 863 -24.648 5.041 -1.207 1143 2HD1 LEU 863 HD12 LEU 863 -23.933 6.241 -0.115 1144 3HD1 LEU 863 HD13 LEU 863 -23.054 4.759 -0.458 1145 1HD2 LEU 863 HD21 LEU 863 -26.675 5.283 0.368 1146 2HD2 LEU 863 HD22 LEU 863 -26.479 4.877 2.089 1147 3HD2 LEU 863 HD23 LEU 863 -25.722 6.336 1.442 1148 H GLY 864 H GLY 864 -22.461 0.122 1.253 1149 1HA GLY 864 HA2 GLY 864 -23.868 -2.066 0.270 1150 2HA GLY 864 HA3 GLY 864 -22.532 -2.140 1.406 1151 H GLU 865 H GLU 865 -24.676 -0.503 3.263 1152 HA GLU 865 HA GLU 865 -26.194 -2.941 4.140 1153 1HB GLU 865 HB2 GLU 865 -23.927 -2.519 5.309 1154 2HB GLU 865 HB3 GLU 865 -24.711 -1.121 6.042 1155 1HG GLU 865 HG2 GLU 865 -24.824 -2.831 7.642 1156 2HG GLU 865 HG3 GLU 865 -26.450 -2.736 6.999 1157 H SER 866 H SER 866 -26.158 0.558 3.817 1158 HA SER 866 HA SER 866 -28.512 1.128 5.339 1159 1HB SER 866 HB2 SER 866 -26.782 2.724 4.185 1160 2HB SER 866 HB3 SER 866 -27.832 2.556 2.765 1161 HG SER 866 HG SER 866 -28.709 4.224 3.842 1162 HA PRO 867 HA PRO 867 -31.785 -0.828 3.029 1163 1HB PRO 867 HB2 PRO 867 -33.278 1.768 3.444 1164 2HB PRO 867 HB3 PRO 867 -33.855 0.088 3.676 1165 1HG PRO 867 HG2 PRO 867 -33.103 1.573 5.810 1166 2HG PRO 867 HG3 PRO 867 -32.594 -0.144 5.692 1167 1HD PRO 867 HD2 PRO 867 -30.995 2.342 5.062 1168 2HD PRO 867 HD3 PRO 867 -30.501 0.858 5.933 1169 H GLU 868 H GLU 868 -32.626 -0.966 0.977 1170 HA GLU 868 HA GLU 868 -32.267 1.306 -0.953 1171 1HB GLU 868 HB2 GLU 868 -31.592 -1.626 -1.429 1172 2HB GLU 868 HB3 GLU 868 -31.525 -0.337 -2.632 1173 1HG GLU 868 HG2 GLU 868 -29.808 0.835 -1.197 1174 2HG GLU 868 HG3 GLU 868 -29.762 -0.611 -0.179 1175 H SER 869 H SER 869 -34.563 -0.617 0.435 1176 HA SER 869 HA SER 869 -36.585 -0.150 -1.637 1177 1HB SER 869 HB2 SER 869 -35.750 -2.963 -0.814 1178 2HB SER 869 HB3 SER 869 -37.326 -2.586 -1.536 1179 HG SER 869 HG SER 869 -35.054 -1.553 -2.807 Start of MODEL 18 1 1H LYS 291 H1 LYS 291 11.917 3.085 0.564 2 2H LYS 291 H2 LYS 291 11.635 4.625 1.014 3 3H LYS 291 H3 LYS 291 12.636 3.678 1.901 4 HA LYS 291 HA LYS 291 9.742 3.259 1.507 5 1HB LYS 291 HB2 LYS 291 9.753 1.407 2.964 6 2HB LYS 291 HB3 LYS 291 10.989 1.144 1.742 7 1HG LYS 291 HG2 LYS 291 12.659 2.045 3.553 8 2HG LYS 291 HG3 LYS 291 11.326 1.764 4.690 9 1HD LYS 291 HD2 LYS 291 12.601 -0.339 2.879 10 2HD LYS 291 HD3 LYS 291 12.988 -0.073 4.581 11 1HE LYS 291 HE2 LYS 291 10.580 -0.560 5.157 12 2HE LYS 291 HE3 LYS 291 10.303 -0.987 3.460 13 1HZ LYS 291 HZ1 LYS 291 10.834 -2.954 4.805 14 2HZ LYS 291 HZ2 LYS 291 11.995 -2.736 3.686 15 3HZ LYS 291 HZ3 LYS 291 12.272 -2.324 5.246 16 H GLU 292 H GLU 292 12.071 4.082 4.179 17 HA GLU 292 HA GLU 292 10.149 4.657 6.073 18 1HB GLU 292 HB2 GLU 292 12.897 5.905 5.720 19 2HB GLU 292 HB3 GLU 292 11.911 6.036 7.182 20 1HG GLU 292 HG2 GLU 292 11.920 3.577 7.442 21 2HG GLU 292 HG3 GLU 292 12.910 3.416 5.991 22 H LYS 293 H LYS 293 11.310 6.980 3.615 23 HA LYS 293 HA LYS 293 10.061 9.328 4.618 24 1HB LYS 293 HB2 LYS 293 11.677 9.264 2.773 25 2HB LYS 293 HB3 LYS 293 10.511 8.478 1.712 26 1HG LYS 293 HG2 LYS 293 9.924 11.164 3.005 27 2HG LYS 293 HG3 LYS 293 11.029 11.057 1.638 28 1HD LYS 293 HD2 LYS 293 9.250 10.022 0.238 29 2HD LYS 293 HD3 LYS 293 8.100 10.213 1.587 30 1HE LYS 293 HE2 LYS 293 8.700 12.634 1.670 31 2HE LYS 293 HE3 LYS 293 9.671 12.434 0.211 32 1HZ LYS 293 HZ1 LYS 293 6.739 11.882 0.341 33 2HZ LYS 293 HZ2 LYS 293 7.409 13.230 -0.299 34 3HZ LYS 293 HZ3 LYS 293 7.674 11.777 -0.993 35 H ARG 294 H ARG 294 8.563 6.702 2.726 36 HA ARG 294 HA ARG 294 6.000 8.136 2.586 37 1HB ARG 294 HB2 ARG 294 7.059 6.473 0.901 38 2HB ARG 294 HB3 ARG 294 6.421 5.198 1.928 39 1HG ARG 294 HG2 ARG 294 4.646 7.455 0.864 40 2HG ARG 294 HG3 ARG 294 5.108 6.094 -0.150 41 1HD ARG 294 HD2 ARG 294 4.194 4.551 1.607 42 2HD ARG 294 HD3 ARG 294 3.462 5.965 2.397 43 HE ARG 294 HE ARG 294 2.623 6.139 -0.241 44 1HH1 ARG 294 HH21 ARG 294 2.250 3.685 2.232 45 2HH1 ARG 294 HH22 ARG 294 0.964 2.862 1.351 46 1HH2 ARG 294 HH11 ARG 294 0.926 5.043 -1.269 47 2HH2 ARG 294 HH12 ARG 294 0.296 3.576 -0.537 48 H ILE 295 H ILE 295 7.439 5.661 4.689 49 HA ILE 295 HA ILE 295 5.111 5.021 6.263 50 HB ILE 295 HB ILE 295 7.962 5.124 7.235 51 1HG1 ILE 295 HG12 ILE 295 7.997 3.602 5.425 52 2HG1 ILE 295 HG13 ILE 295 7.771 2.596 6.863 53 1HG2 ILE 295 HG21 ILE 295 7.112 3.487 8.911 54 2HG2 ILE 295 HG22 ILE 295 6.369 5.076 9.083 55 3HG2 ILE 295 HG23 ILE 295 5.460 3.758 8.319 56 1HD1 ILE 295 HD11 ILE 295 5.763 3.303 4.778 57 2HD1 ILE 295 HD12 ILE 295 6.433 1.709 5.163 58 3HD1 ILE 295 HD13 ILE 295 5.349 2.519 6.331 59 H LYS 296 H LYS 296 7.669 7.486 6.723 60 HA LYS 296 HA LYS 296 6.443 8.911 8.874 61 1HB LYS 296 HB2 LYS 296 8.864 8.944 8.192 62 2HB LYS 296 HB3 LYS 296 8.429 9.946 6.799 63 1HG LYS 296 HG2 LYS 296 7.579 11.708 8.323 64 2HG LYS 296 HG3 LYS 296 7.900 10.660 9.719 65 1HD LYS 296 HD2 LYS 296 10.349 10.697 9.129 66 2HD LYS 296 HD3 LYS 296 9.974 11.768 7.773 67 1HE LYS 296 HE2 LYS 296 10.754 13.164 9.540 68 2HE LYS 296 HE3 LYS 296 9.014 13.432 9.398 69 1HZ LYS 296 HZ1 LYS 296 9.677 13.178 11.717 70 2HZ LYS 296 HZ2 LYS 296 8.720 11.918 11.315 71 3HZ LYS 296 HZ3 LYS 296 10.338 11.715 11.438 72 H GLU 297 H GLU 297 6.217 9.433 5.343 73 HA GLU 297 HA GLU 297 4.629 11.775 5.326 74 1HB GLU 297 HB2 GLU 297 5.731 10.733 3.374 75 2HB GLU 297 HB3 GLU 297 4.604 9.384 3.456 76 1HG GLU 297 HG2 GLU 297 2.728 10.949 2.970 77 2HG GLU 297 HG3 GLU 297 3.913 12.263 2.894 78 H LEU 298 H LEU 298 3.408 8.351 5.286 79 HA LEU 298 HA LEU 298 0.666 9.165 5.525 80 1HB LEU 298 HB2 LEU 298 1.635 6.912 4.728 81 2HB LEU 298 HB3 LEU 298 1.865 6.523 6.424 82 HG LEU 298 HG LEU 298 -0.786 7.305 6.474 83 1HD1 LEU 298 HD11 LEU 298 -0.428 6.078 3.714 84 2HD1 LEU 298 HD12 LEU 298 -1.953 6.578 4.484 85 3HD1 LEU 298 HD13 LEU 298 -0.752 7.794 4.015 86 1HD2 LEU 298 HD21 LEU 298 -0.005 5.156 7.279 87 2HD2 LEU 298 HD22 LEU 298 -1.456 4.969 6.285 88 3HD2 LEU 298 HD23 LEU 298 0.132 4.549 5.605 89 H GLU 299 H GLU 299 3.126 8.423 8.027 90 HA GLU 299 HA GLU 299 1.363 8.675 10.278 91 1HB GLU 299 HB2 GLU 299 3.566 7.664 10.458 92 2HB GLU 299 HB3 GLU 299 4.355 9.158 9.956 93 1HG GLU 299 HG2 GLU 299 3.714 10.303 11.988 94 2HG GLU 299 HG3 GLU 299 2.679 8.969 12.482 95 H LEU 300 H LEU 300 3.312 11.119 8.518 96 HA LEU 300 HA LEU 300 2.635 13.327 10.161 97 1HB LEU 300 HB2 LEU 300 4.580 13.231 8.670 98 2HB LEU 300 HB3 LEU 300 3.525 13.216 7.258 99 HG LEU 300 HG LEU 300 2.764 15.508 7.767 100 1HD1 LEU 300 HD11 LEU 300 2.963 15.573 10.217 101 2HD1 LEU 300 HD12 LEU 300 4.727 15.361 10.103 102 3HD1 LEU 300 HD13 LEU 300 3.953 16.844 9.503 103 1HD2 LEU 300 HD21 LEU 300 4.754 15.143 6.356 104 2HD2 LEU 300 HD22 LEU 300 4.881 16.649 7.280 105 3HD2 LEU 300 HD23 LEU 300 5.795 15.213 7.795 106 H LEU 301 H LEU 301 0.833 11.881 7.443 107 HA LEU 301 HA LEU 301 -1.017 13.970 6.966 108 1HB LEU 301 HB2 LEU 301 -1.469 10.960 7.025 109 2HB LEU 301 HB3 LEU 301 -2.662 12.106 6.464 110 HG LEU 301 HG LEU 301 0.060 11.673 5.170 111 1HD1 LEU 301 HD11 LEU 301 -1.223 10.612 3.387 112 2HD1 LEU 301 HD12 LEU 301 -1.586 9.805 4.924 113 3HD1 LEU 301 HD13 LEU 301 -2.752 10.947 4.234 114 1HD2 LEU 301 HD21 LEU 301 -0.888 13.040 3.317 115 2HD2 LEU 301 HD22 LEU 301 -2.294 13.422 4.334 116 3HD2 LEU 301 HD23 LEU 301 -0.667 13.981 4.792 117 H LEU 302 H LEU 302 -1.144 11.520 9.580 118 HA LEU 302 HA LEU 302 -3.487 12.673 10.891 119 1HB LEU 302 HB2 LEU 302 -1.311 10.733 11.708 120 2HB LEU 302 HB3 LEU 302 -2.498 11.302 12.868 121 HG LEU 302 HG LEU 302 -3.314 9.884 10.321 122 1HD1 LEU 302 HD11 LEU 302 -1.954 8.417 11.625 123 2HD1 LEU 302 HD12 LEU 302 -2.715 8.930 13.158 124 3HD1 LEU 302 HD13 LEU 302 -3.635 7.996 11.983 125 1HD2 LEU 302 HD21 LEU 302 -5.412 9.515 11.554 126 2HD2 LEU 302 HD22 LEU 302 -4.783 10.404 12.954 127 3HD2 LEU 302 HD23 LEU 302 -5.115 11.255 11.428 128 H MET 303 H MET 303 0.027 12.787 11.576 129 HA MET 303 HA MET 303 -0.225 14.309 13.901 130 1HB MET 303 HB2 MET 303 1.660 12.853 13.163 131 2HB MET 303 HB3 MET 303 2.235 14.195 12.158 132 1HG MET 303 HG2 MET 303 2.664 15.554 14.073 133 2HG MET 303 HG3 MET 303 1.686 14.526 15.121 134 1HE MET 303 HE1 MET 303 4.268 12.959 12.527 135 2HE MET 303 HE2 MET 303 4.965 14.558 12.893 136 3HE MET 303 HE3 MET 303 5.773 13.077 13.457 137 H SER 304 H SER 304 -0.069 15.495 10.611 138 HA SER 304 HA SER 304 0.623 18.209 11.044 139 1HB SER 304 HB2 SER 304 0.587 16.963 8.872 140 2HB SER 304 HB3 SER 304 -1.183 17.100 8.868 141 HG SER 304 HG SER 304 -0.079 18.768 7.672 142 H THR 305 H THR 305 -2.401 16.636 11.858 143 HA THR 305 HA THR 305 -4.266 18.696 11.447 144 HB THR 305 HB THR 305 -4.330 16.898 13.870 145 HG1 THR 305 HG1 THR 305 -4.093 15.464 12.315 146 1HG2 THR 305 HG21 THR 305 -6.492 18.129 12.107 147 2HG2 THR 305 HG22 THR 305 -6.778 16.937 13.399 148 3HG2 THR 305 HG23 THR 305 -6.154 18.535 13.802 149 H GLU 306 H GLU 306 -1.926 18.520 14.162 150 HA GLU 306 HA GLU 306 -3.111 20.627 15.667 151 1HB GLU 306 HB2 GLU 306 -0.204 19.754 15.436 152 2HB GLU 306 HB3 GLU 306 -0.770 21.008 16.544 153 1HG GLU 306 HG2 GLU 306 -2.367 19.349 17.557 154 2HG GLU 306 HG3 GLU 306 -1.621 18.093 16.560 155 H ASN 307 H ASN 307 -1.083 20.749 12.758 156 HA ASN 307 HA ASN 307 -0.717 23.675 12.835 157 1HB ASN 307 HB2 ASN 307 -0.075 21.539 10.746 158 2HB ASN 307 HB3 ASN 307 0.113 23.255 10.474 159 1HD2 ASN 307 HD22 ASN 307 2.076 24.102 10.879 160 2HD2 ASN 307 HD21 ASN 307 3.264 23.359 11.961 161 H GLU 308 H GLU 308 -2.837 21.304 11.091 162 HA GLU 308 HA GLU 308 -4.232 23.237 9.514 163 1HB GLU 308 HB2 GLU 308 -5.304 20.651 10.716 164 2HB GLU 308 HB3 GLU 308 -6.099 21.622 9.477 165 1HG GLU 308 HG2 GLU 308 -4.063 21.316 8.009 166 2HG GLU 308 HG3 GLU 308 -3.427 20.186 9.206 167 H LEU 309 H LEU 309 -4.718 22.300 12.891 168 HA LEU 309 HA LEU 309 -7.007 23.944 13.470 169 1HB LEU 309 HB2 LEU 309 -4.899 22.398 14.939 170 2HB LEU 309 HB3 LEU 309 -5.696 23.647 15.856 171 HG LEU 309 HG LEU 309 -7.761 22.638 15.850 172 1HD1 LEU 309 HD11 LEU 309 -8.171 22.088 13.505 173 2HD1 LEU 309 HD12 LEU 309 -6.943 20.804 13.561 174 3HD1 LEU 309 HD13 LEU 309 -8.442 20.673 14.519 175 1HD2 LEU 309 HD21 LEU 309 -7.339 20.364 16.610 176 2HD2 LEU 309 HD22 LEU 309 -5.799 20.321 15.710 177 3HD2 LEU 309 HD23 LEU 309 -5.995 21.398 17.119 178 H LYS 310 H LYS 310 -3.644 24.869 13.086 179 HA LYS 310 HA LYS 310 -3.727 27.306 14.675 180 1HB LYS 310 HB2 LYS 310 -1.658 26.055 13.909 181 2HB LYS 310 HB3 LYS 310 -1.994 26.633 12.269 182 1HG LYS 310 HG2 LYS 310 -1.783 28.979 13.056 183 2HG LYS 310 HG3 LYS 310 -1.363 28.384 14.678 184 1HD LYS 310 HD2 LYS 310 0.638 27.283 13.814 185 2HD LYS 310 HD3 LYS 310 0.126 27.576 12.147 186 1HE LYS 310 HE2 LYS 310 0.198 30.093 12.736 187 2HE LYS 310 HE3 LYS 310 1.093 29.614 14.185 188 1HZ LYS 310 HZ1 LYS 310 1.861 29.026 11.373 189 2HZ LYS 310 HZ2 LYS 310 2.590 30.137 12.332 190 3HZ LYS 310 HZ3 LYS 310 2.729 28.546 12.683 191 H GLY 311 H GLY 311 -4.464 26.515 11.318 192 1HA GLY 311 HA2 GLY 311 -6.625 27.822 10.751 193 2HA GLY 311 HA3 GLY 311 -5.572 29.238 10.759 194 H GLN 312 H GLN 312 -7.151 28.056 8.570 195 HA GLN 312 HA GLN 312 -5.554 26.609 6.755 196 1HB GLN 312 HB2 GLN 312 -7.307 26.969 5.160 197 2HB GLN 312 HB3 GLN 312 -7.996 26.659 6.749 198 1HG GLN 312 HG2 GLN 312 -8.345 29.148 7.026 199 2HG GLN 312 HG3 GLN 312 -7.783 29.375 5.369 200 1HE2 GLN 312 HE22 GLN 312 -10.489 29.922 6.629 201 2HE2 GLN 312 HE21 GLN 312 -11.604 29.017 5.615 202 H GLN 313 H GLN 313 -5.023 29.835 7.505 203 HA GLN 313 HA GLN 313 -3.398 30.222 5.017 204 1HB GLN 313 HB2 GLN 313 -4.762 32.358 6.706 205 2HB GLN 313 HB3 GLN 313 -3.710 32.648 5.314 206 1HG GLN 313 HG2 GLN 313 -5.320 31.356 3.880 207 2HG GLN 313 HG3 GLN 313 -6.433 31.292 5.250 208 1HE2 GLN 313 HE21 GLN 313 -6.345 32.803 2.459 209 2HE2 GLN 313 HE22 GLN 313 -6.838 34.421 2.938 210 H ALA 314 H ALA 314 -2.940 29.207 8.027 211 HA ALA 314 HA ALA 314 -0.375 30.688 8.435 212 1HB ALA 314 HB1 ALA 314 -2.175 31.750 9.768 213 2HB ALA 314 HB2 ALA 314 -2.519 30.187 10.544 214 3HB ALA 314 HB3 ALA 314 -0.953 30.989 10.800 215 H LEU 315 H LEU 315 -1.983 27.655 8.471 216 HA LEU 315 HA LEU 315 -0.669 26.039 10.230 217 1HB LEU 315 HB2 LEU 315 -1.306 24.223 8.882 218 2HB LEU 315 HB3 LEU 315 -2.567 25.429 8.781 219 HG LEU 315 HG LEU 315 -0.510 24.776 6.619 220 1HD1 LEU 315 HD11 LEU 315 -3.493 24.203 6.822 221 2HD1 LEU 315 HD12 LEU 315 -2.188 23.014 7.035 222 3HD1 LEU 315 HD13 LEU 315 -2.428 23.785 5.463 223 1HD2 LEU 315 HD21 LEU 315 -1.197 27.106 6.330 224 2HD2 LEU 315 HD22 LEU 315 -2.008 26.115 5.122 225 3HD2 LEU 315 HD23 LEU 315 -2.908 26.662 6.553 226 1H GLY 586 H1 GLY 586 -9.898 6.572 35.025 227 2H GLY 586 H2 GLY 586 -10.369 5.010 35.191 228 3H GLY 586 H3 GLY 586 -9.886 5.866 36.503 229 1HA GLY 586 HA2 GLY 586 -8.165 4.321 35.805 230 2HA GLY 586 HA3 GLY 586 -8.159 5.127 34.226 231 H VAL 587 H VAL 587 -5.887 4.861 35.891 232 HA VAL 587 HA VAL 587 -5.336 7.173 37.502 233 HB VAL 587 HB VAL 587 -3.378 5.306 36.099 234 1HG1 VAL 587 HG11 VAL 587 -1.831 5.973 37.934 235 2HG1 VAL 587 HG12 VAL 587 -2.245 7.337 36.904 236 3HG1 VAL 587 HG13 VAL 587 -3.020 7.167 38.497 237 1HG2 VAL 587 HG21 VAL 587 -4.900 4.041 37.599 238 2HG2 VAL 587 HG22 VAL 587 -3.277 4.129 38.276 239 3HG2 VAL 587 HG23 VAL 587 -4.555 5.184 38.915 240 H ARG 588 H ARG 588 -4.730 9.179 36.989 241 HA ARG 588 HA ARG 588 -4.675 10.185 34.286 242 1HB ARG 588 HB2 ARG 588 -3.921 11.447 36.965 243 2HB ARG 588 HB3 ARG 588 -4.004 12.328 35.435 244 1HG ARG 588 HG2 ARG 588 -6.408 11.737 35.210 245 2HG ARG 588 HG3 ARG 588 -6.341 10.888 36.767 246 1HD ARG 588 HD2 ARG 588 -5.650 13.013 37.871 247 2HD ARG 588 HD3 ARG 588 -5.813 13.853 36.313 248 HE ARG 588 HE ARG 588 -8.255 12.516 36.801 249 1HH1 ARG 588 HH12 ARG 588 -6.498 15.175 38.256 250 2HH1 ARG 588 HH11 ARG 588 -7.946 15.897 38.906 251 1HH2 ARG 588 HH21 ARG 588 -10.059 13.479 37.669 252 2HH2 ARG 588 HH22 ARG 588 -9.907 14.955 38.575 253 H LYS 589 H LYS 589 -3.047 11.031 33.135 254 HA LYS 589 HA LYS 589 -0.263 10.060 33.732 255 1HB LYS 589 HB2 LYS 589 -1.652 10.094 31.031 256 2HB LYS 589 HB3 LYS 589 -0.074 9.406 31.406 257 1HG LYS 589 HG2 LYS 589 -1.112 7.729 32.883 258 2HG LYS 589 HG3 LYS 589 -2.712 8.427 32.575 259 1HD LYS 589 HD2 LYS 589 -2.563 7.840 30.190 260 2HD LYS 589 HD3 LYS 589 -0.951 7.156 30.466 261 1HE LYS 589 HE2 LYS 589 -2.538 5.341 30.441 262 2HE LYS 589 HE3 LYS 589 -1.898 5.529 32.074 263 1HZ LYS 589 HZ1 LYS 589 -4.586 6.438 31.136 264 2HZ LYS 589 HZ2 LYS 589 -4.274 5.209 32.141 265 3HZ LYS 589 HZ3 LYS 589 -3.983 6.732 32.647 266 H GLY 590 H GLY 590 -1.781 12.888 33.564 267 1HA GLY 590 HA2 GLY 590 -0.912 14.997 33.710 268 2HA GLY 590 HA3 GLY 590 0.682 14.335 33.377 269 H TRP 591 H TRP 591 0.346 13.381 30.798 270 HA TRP 591 HA TRP 591 0.835 15.707 29.256 271 1HB TRP 591 HB2 TRP 591 1.171 14.199 27.442 272 2HB TRP 591 HB3 TRP 591 1.792 13.444 28.901 273 HD1 TRP 591 HD1 TRP 591 0.720 11.167 29.628 274 HE1 TRP 591 HE1 TRP 591 -0.759 9.446 28.392 275 HE3 TRP 591 HE3 TRP 591 -0.928 14.108 25.767 276 HZ2 TRP 591 HZ2 TRP 591 -2.428 9.380 26.079 277 HZ3 TRP 591 HZ3 TRP 591 -2.427 13.162 24.034 278 HH2 TRP 591 HH2 TRP 591 -3.164 10.801 24.165 279 H HIS 592 H HIS 592 -2.206 14.401 29.978 280 HA HIS 592 HA HIS 592 -3.653 14.375 27.629 281 1HB HIS 592 HB2 HIS 592 -4.523 15.114 30.449 282 2HB HIS 592 HB3 HIS 592 -5.633 14.757 29.139 283 HD1 HIS 592 HD1 HIS 592 -6.520 12.764 30.765 284 HD2 HIS 592 HD2 HIS 592 -2.624 12.357 29.204 285 HE1 HIS 592 HE1 HIS 592 -5.858 10.325 31.106 286 H GLU 593 H GLU 593 -2.782 17.279 29.449 287 HA GLU 593 HA GLU 593 -4.634 19.121 28.375 288 1HB GLU 593 HB2 GLU 593 -3.086 20.812 29.154 289 2HB GLU 593 HB3 GLU 593 -3.281 19.540 30.350 290 1HG GLU 593 HG2 GLU 593 -1.099 18.569 29.722 291 2HG GLU 593 HG3 GLU 593 -0.910 19.767 28.441 292 H HIS 594 H HIS 594 -1.940 17.650 26.705 293 HA HIS 594 HA HIS 594 -1.638 19.730 24.687 294 1HB HIS 594 HB2 HIS 594 -0.869 16.793 24.667 295 2HB HIS 594 HB3 HIS 594 -0.328 18.002 23.504 296 HD1 HIS 594 HD1 HIS 594 0.751 20.314 25.286 297 HD2 HIS 594 HD2 HIS 594 1.154 16.216 26.133 298 HE1 HIS 594 HE1 HIS 594 2.762 20.104 26.839 299 H VAL 595 H VAL 595 -4.160 17.500 25.190 300 HA VAL 595 HA VAL 595 -5.001 17.580 22.308 301 HB VAL 595 HB VAL 595 -5.088 15.255 24.261 302 1HG1 VAL 595 HG11 VAL 595 -6.095 13.934 22.383 303 2HG1 VAL 595 HG12 VAL 595 -7.182 15.140 23.055 304 3HG1 VAL 595 HG13 VAL 595 -6.365 15.443 21.498 305 1HG2 VAL 595 HG21 VAL 595 -3.796 14.120 22.429 306 2HG2 VAL 595 HG22 VAL 595 -3.726 15.663 21.560 307 3HG2 VAL 595 HG23 VAL 595 -2.931 15.487 23.138 308 H THR 596 H THR 596 -7.230 17.531 21.879 309 HA THR 596 HA THR 596 -9.180 18.089 24.007 310 HB THR 596 HB THR 596 -8.144 20.283 23.613 311 HG1 THR 596 HG1 THR 596 -10.046 21.344 23.307 312 1HG2 THR 596 HG21 THR 596 -7.466 20.015 21.216 313 2HG2 THR 596 HG22 THR 596 -9.177 20.097 20.748 314 3HG2 THR 596 HG23 THR 596 -8.394 21.488 21.517 315 H GLN 597 H GLN 597 -11.418 18.261 23.099 316 HA GLN 597 HA GLN 597 -11.951 16.138 21.291 317 1HB GLN 597 HB2 GLN 597 -14.266 16.836 21.468 318 2HB GLN 597 HB3 GLN 597 -13.476 16.762 23.030 319 1HG GLN 597 HG2 GLN 597 -13.242 19.280 22.985 320 2HG GLN 597 HG3 GLN 597 -14.104 19.301 21.444 321 1HE2 GLN 597 HE22 GLN 597 -16.392 19.301 21.511 322 2HE2 GLN 597 HE21 GLN 597 -17.288 19.101 23.010 323 H ASP 598 H ASP 598 -11.531 19.609 20.607 324 HA ASP 598 HA ASP 598 -12.678 19.542 17.971 325 1HB ASP 598 HB2 ASP 598 -12.111 21.589 19.389 326 2HB ASP 598 HB3 ASP 598 -10.423 21.347 18.909 327 H LEU 599 H LEU 599 -9.438 18.761 19.175 328 HA LEU 599 HA LEU 599 -8.210 18.296 16.575 329 1HB LEU 599 HB2 LEU 599 -6.858 18.810 18.552 330 2HB LEU 599 HB3 LEU 599 -7.510 17.422 19.418 331 HG LEU 599 HG LEU 599 -6.388 15.864 17.936 332 1HD1 LEU 599 HD11 LEU 599 -4.746 16.644 16.274 333 2HD1 LEU 599 HD12 LEU 599 -6.380 17.135 15.825 334 3HD1 LEU 599 HD13 LEU 599 -5.248 18.317 16.535 335 1HD2 LEU 599 HD21 LEU 599 -5.174 16.742 19.898 336 2HD2 LEU 599 HD22 LEU 599 -4.070 16.366 18.566 337 3HD2 LEU 599 HD23 LEU 599 -4.507 18.054 18.905 338 H ARG 600 H ARG 600 -9.497 16.117 19.148 339 HA ARG 600 HA ARG 600 -9.186 13.696 17.742 340 1HB ARG 600 HB2 ARG 600 -11.222 14.500 19.845 341 2HB ARG 600 HB3 ARG 600 -10.863 12.825 19.380 342 1HG ARG 600 HG2 ARG 600 -8.582 12.993 20.118 343 2HG ARG 600 HG3 ARG 600 -8.679 14.728 20.351 344 1HD ARG 600 HD2 ARG 600 -9.243 14.461 22.394 345 2HD ARG 600 HD3 ARG 600 -10.796 13.774 21.923 346 HE ARG 600 HE ARG 600 -9.142 11.606 21.637 347 1HH1 ARG 600 HH11 ARG 600 -9.712 13.557 24.508 348 2HH1 ARG 600 HH12 ARG 600 -9.365 12.197 25.542 349 1HH2 ARG 600 HH21 ARG 600 -8.741 10.098 22.847 350 2HH2 ARG 600 HH22 ARG 600 -8.748 10.221 24.610 351 H SER 601 H SER 601 -12.025 15.824 17.737 352 HA SER 601 HA SER 601 -13.830 14.379 16.160 353 1HB SER 601 HB2 SER 601 -13.118 17.329 15.905 354 2HB SER 601 HB3 SER 601 -14.552 16.564 15.198 355 HG SER 601 HG SER 601 -13.902 16.814 17.956 356 H HIS 602 H HIS 602 -11.052 16.299 14.926 357 HA HIS 602 HA HIS 602 -11.536 15.451 12.155 358 1HB HIS 602 HB2 HIS 602 -10.753 17.712 12.720 359 2HB HIS 602 HB3 HIS 602 -9.288 17.047 13.431 360 HD1 HIS 602 HD1 HIS 602 -10.744 18.092 10.115 361 HD2 HIS 602 HD2 HIS 602 -7.629 15.664 11.563 362 HE1 HIS 602 HE1 HIS 602 -9.210 17.637 8.128 363 H LEU 603 H LEU 603 -9.210 14.562 14.796 364 HA LEU 603 HA LEU 603 -7.595 12.868 13.141 365 1HB LEU 603 HB2 LEU 603 -8.183 12.542 16.104 366 2HB LEU 603 HB3 LEU 603 -6.965 11.667 15.192 367 HG LEU 603 HG LEU 603 -6.960 14.579 15.981 368 1HD1 LEU 603 HD11 LEU 603 -4.938 12.326 16.312 369 2HD1 LEU 603 HD12 LEU 603 -4.792 13.975 16.953 370 3HD1 LEU 603 HD13 LEU 603 -6.062 12.899 17.561 371 1HD2 LEU 603 HD21 LEU 603 -6.244 14.591 13.649 372 2HD2 LEU 603 HD22 LEU 603 -4.888 14.884 14.724 373 3HD2 LEU 603 HD23 LEU 603 -5.086 13.278 13.971 374 H VAL 604 H VAL 604 -10.528 11.977 15.077 375 HA VAL 604 HA VAL 604 -10.606 9.239 14.235 376 HB VAL 604 HB VAL 604 -12.856 11.133 15.017 377 1HG1 VAL 604 HG11 VAL 604 -13.847 9.315 13.662 378 2HG1 VAL 604 HG12 VAL 604 -12.972 8.104 14.628 379 3HG1 VAL 604 HG13 VAL 604 -14.239 9.115 15.359 380 1HG2 VAL 604 HG21 VAL 604 -11.224 10.574 16.814 381 2HG2 VAL 604 HG22 VAL 604 -12.811 9.864 17.129 382 3HG2 VAL 604 HG23 VAL 604 -11.493 8.845 16.510 383 H HIS 605 H HIS 605 -12.092 12.158 12.740 384 HA HIS 605 HA HIS 605 -13.262 10.923 10.506 385 1HB HIS 605 HB2 HIS 605 -13.827 13.147 10.738 386 2HB HIS 605 HB3 HIS 605 -12.205 13.644 11.162 387 HD1 HIS 605 HD1 HIS 605 -10.604 14.453 9.200 388 HD2 HIS 605 HD2 HIS 605 -14.339 12.908 8.050 389 HE1 HIS 605 HE1 HIS 605 -10.826 14.921 6.702 390 H LYS 606 H LYS 606 -9.925 12.184 10.738 391 HA LYS 606 HA LYS 606 -9.209 11.262 8.095 392 1HB LYS 606 HB2 LYS 606 -8.315 13.230 9.257 393 2HB LYS 606 HB3 LYS 606 -7.446 12.190 10.394 394 1HG LYS 606 HG2 LYS 606 -5.903 11.496 8.755 395 2HG LYS 606 HG3 LYS 606 -7.001 11.845 7.412 396 1HD LYS 606 HD2 LYS 606 -5.079 13.448 7.592 397 2HD LYS 606 HD3 LYS 606 -6.679 14.207 7.593 398 1HE LYS 606 HE2 LYS 606 -6.614 14.449 10.037 399 2HE LYS 606 HE3 LYS 606 -5.055 13.624 10.103 400 1HZ LYS 606 HZ1 LYS 606 -4.842 16.020 10.192 401 2HZ LYS 606 HZ2 LYS 606 -4.084 15.426 8.867 402 3HZ LYS 606 HZ3 LYS 606 -5.525 16.239 8.744 403 H LEU 607 H LEU 607 -8.827 9.791 11.275 404 HA LEU 607 HA LEU 607 -7.276 7.513 10.562 405 1HB LEU 607 HB2 LEU 607 -8.113 8.414 12.893 406 2HB LEU 607 HB3 LEU 607 -9.556 7.490 12.572 407 HG LEU 607 HG LEU 607 -7.578 5.582 12.214 408 1HD1 LEU 607 HD11 LEU 607 -5.971 5.820 14.085 409 2HD1 LEU 607 HD12 LEU 607 -5.805 7.209 12.988 410 3HD1 LEU 607 HD13 LEU 607 -6.670 7.387 14.515 411 1HD2 LEU 607 HD21 LEU 607 -8.933 6.355 14.817 412 2HD2 LEU 607 HD22 LEU 607 -9.571 5.269 13.558 413 3HD2 LEU 607 HD23 LEU 607 -8.136 4.801 14.479 414 H VAL 608 H VAL 608 -10.842 7.964 10.681 415 HA VAL 608 HA VAL 608 -11.659 5.516 9.506 416 HB VAL 608 HB VAL 608 -12.926 8.266 9.701 417 1HG1 VAL 608 HG11 VAL 608 -15.086 7.206 9.102 418 2HG1 VAL 608 HG12 VAL 608 -13.978 7.297 7.737 419 3HG1 VAL 608 HG13 VAL 608 -14.194 5.753 8.597 420 1HG2 VAL 608 HG21 VAL 608 -13.607 5.614 11.034 421 2HG2 VAL 608 HG22 VAL 608 -12.608 6.875 11.773 422 3HG2 VAL 608 HG23 VAL 608 -14.294 7.215 11.397 423 H GLN 609 H GLN 609 -11.043 8.659 7.849 424 HA GLN 609 HA GLN 609 -11.722 7.869 5.228 425 1HB GLN 609 HB2 GLN 609 -9.606 9.812 6.222 426 2HB GLN 609 HB3 GLN 609 -10.068 9.689 4.535 427 1HG GLN 609 HG2 GLN 609 -12.242 10.178 6.577 428 2HG GLN 609 HG3 GLN 609 -11.152 11.492 6.144 429 1HE2 GLN 609 HE22 GLN 609 -12.961 12.677 5.278 430 2HE2 GLN 609 HE21 GLN 609 -13.631 12.221 3.710 431 H ALA 610 H ALA 610 -8.542 7.539 6.864 432 HA ALA 610 HA ALA 610 -7.259 6.311 4.564 433 1HB ALA 610 HB1 ALA 610 -5.933 7.507 6.186 434 2HB ALA 610 HB2 ALA 610 -6.545 6.471 7.493 435 3HB ALA 610 HB3 ALA 610 -5.472 5.785 6.252 436 H ILE 611 H ILE 611 -8.830 4.989 7.530 437 HA ILE 611 HA ILE 611 -8.075 2.269 7.149 438 HB ILE 611 HB ILE 611 -10.366 3.590 8.625 439 1HG1 ILE 611 HG12 ILE 611 -7.956 2.006 9.626 440 2HG1 ILE 611 HG13 ILE 611 -7.917 3.729 9.384 441 1HG2 ILE 611 HG21 ILE 611 -11.212 1.352 7.975 442 2HG2 ILE 611 HG22 ILE 611 -9.736 0.597 8.612 443 3HG2 ILE 611 HG23 ILE 611 -10.883 1.428 9.688 444 1HD1 ILE 611 HD11 ILE 611 -9.785 3.999 11.043 445 2HD1 ILE 611 HD12 ILE 611 -9.670 2.256 11.387 446 3HD1 ILE 611 HD13 ILE 611 -8.293 3.314 11.717 447 H PHE 612 H PHE 612 -11.024 3.995 5.966 448 HA PHE 612 HA PHE 612 -11.063 2.026 3.748 449 1HB PHE 612 HB2 PHE 612 -12.635 1.101 5.279 450 2HB PHE 612 HB3 PHE 612 -13.418 2.652 5.506 451 HD1 PHE 612 HD1 PHE 612 -12.539 1.822 1.980 452 HD2 PHE 612 HD2 PHE 612 -15.523 1.435 5.075 453 HE1 PHE 612 HE1 PHE 612 -14.290 1.572 0.261 454 HE2 PHE 612 HE2 PHE 612 -17.252 1.087 3.353 455 HZ PHE 612 HZ PHE 612 -16.647 1.137 0.953 456 HA PRO 613 HA PRO 613 -11.461 6.145 1.788 457 1HB PRO 613 HB2 PRO 613 -10.200 4.527 -0.420 458 2HB PRO 613 HB3 PRO 613 -9.818 6.178 0.143 459 1HG PRO 613 HG2 PRO 613 -8.215 4.068 0.764 460 2HG PRO 613 HG3 PRO 613 -8.566 5.336 1.984 461 1HD PRO 613 HD2 PRO 613 -9.901 2.630 1.659 462 2HD PRO 613 HD3 PRO 613 -9.255 3.398 3.141 463 H THR 614 H THR 614 -13.720 5.942 1.797 464 HA THR 614 HA THR 614 -15.262 3.906 0.801 465 HB THR 614 HB THR 614 -17.107 5.784 0.678 466 HG1 THR 614 HG1 THR 614 -15.654 7.528 0.632 467 1HG2 THR 614 HG21 THR 614 -16.938 4.146 2.476 468 2HG2 THR 614 HG22 THR 614 -15.598 5.047 3.210 469 3HG2 THR 614 HG23 THR 614 -17.232 5.753 3.154 470 HA PRO 615 HA PRO 615 -15.391 4.081 -3.497 471 1HB PRO 615 HB2 PRO 615 -17.879 3.060 -4.148 472 2HB PRO 615 HB3 PRO 615 -16.547 2.091 -3.447 473 1HG PRO 615 HG2 PRO 615 -18.834 3.401 -1.965 474 2HG PRO 615 HG3 PRO 615 -18.275 1.698 -1.857 475 1HD PRO 615 HD2 PRO 615 -17.427 3.487 -0.040 476 2HD PRO 615 HD3 PRO 615 -16.266 2.337 -0.776 477 H ASP 616 H ASP 616 -18.023 5.715 -1.829 478 HA ASP 616 HA ASP 616 -18.236 7.881 -3.783 479 1HB ASP 616 HB2 ASP 616 -20.545 7.487 -4.371 480 2HB ASP 616 HB3 ASP 616 -19.665 6.019 -4.684 481 HA PRO 617 HA PRO 617 -19.200 10.086 -0.126 482 1HB PRO 617 HB2 PRO 617 -20.800 12.190 -0.877 483 2HB PRO 617 HB3 PRO 617 -19.092 12.012 -1.378 484 1HG PRO 617 HG2 PRO 617 -21.576 11.205 -2.924 485 2HG PRO 617 HG3 PRO 617 -20.182 12.176 -3.500 486 1HD PRO 617 HD2 PRO 617 -20.361 9.531 -3.995 487 2HD PRO 617 HD3 PRO 617 -18.783 10.271 -3.603 488 H ALA 618 H ALA 618 -21.808 8.277 -1.394 489 HA ALA 618 HA ALA 618 -23.555 8.939 0.933 490 1HB ALA 618 HB1 ALA 618 -25.216 7.541 -0.128 491 2HB ALA 618 HB2 ALA 618 -24.643 8.759 -1.284 492 3HB ALA 618 HB3 ALA 618 -24.087 7.075 -1.411 493 H ALA 619 H ALA 619 -21.443 6.344 -0.409 494 HA ALA 619 HA ALA 619 -21.900 4.399 1.589 495 1HB ALA 619 HB1 ALA 619 -20.573 4.000 -0.432 496 2HB ALA 619 HB2 ALA 619 -19.293 5.074 0.167 497 3HB ALA 619 HB3 ALA 619 -19.659 3.560 1.017 498 H LEU 620 H LEU 620 -19.981 7.374 1.870 499 HA LEU 620 HA LEU 620 -18.752 7.054 4.377 500 1HB LEU 620 HB2 LEU 620 -19.996 9.399 2.924 501 2HB LEU 620 HB3 LEU 620 -19.336 9.615 4.535 502 HG LEU 620 HG LEU 620 -17.736 8.614 2.163 503 1HD1 LEU 620 HD11 LEU 620 -18.483 10.963 1.908 504 2HD1 LEU 620 HD12 LEU 620 -17.800 11.353 3.499 505 3HD1 LEU 620 HD13 LEU 620 -16.734 10.855 2.164 506 1HD2 LEU 620 HD21 LEU 620 -16.741 7.875 4.307 507 2HD2 LEU 620 HD22 LEU 620 -15.780 9.188 3.637 508 3HD2 LEU 620 HD23 LEU 620 -16.905 9.515 4.974 509 H LYS 621 H LYS 621 -22.169 7.422 3.712 510 HA LYS 621 HA LYS 621 -22.827 7.819 6.614 511 1HB LYS 621 HB2 LYS 621 -24.114 8.694 4.017 512 2HB LYS 621 HB3 LYS 621 -25.148 8.370 5.385 513 1HG LYS 621 HG2 LYS 621 -24.688 10.702 5.351 514 2HG LYS 621 HG3 LYS 621 -23.993 9.974 6.787 515 1HD LYS 621 HD2 LYS 621 -22.511 11.687 5.875 516 2HD LYS 621 HD3 LYS 621 -21.746 10.110 5.848 517 1HE LYS 621 HE2 LYS 621 -21.200 11.217 3.796 518 2HE LYS 621 HE3 LYS 621 -22.303 9.898 3.409 519 1HZ LYS 621 HZ1 LYS 621 -23.062 12.763 3.634 520 2HZ LYS 621 HZ2 LYS 621 -22.890 11.919 2.244 521 3HZ LYS 621 HZ3 LYS 621 -24.104 11.553 3.274 522 H ASP 622 H ASP 622 -22.505 5.243 4.598 523 HA ASP 622 HA ASP 622 -24.965 3.824 4.926 524 1HB ASP 622 HB2 ASP 622 -23.254 3.182 3.290 525 2HB ASP 622 HB3 ASP 622 -22.129 2.771 4.593 526 H ARG 623 H ARG 623 -25.603 2.257 6.360 527 HA ARG 623 HA ARG 623 -25.339 2.545 9.095 528 1HB ARG 623 HB2 ARG 623 -25.822 -0.206 7.897 529 2HB ARG 623 HB3 ARG 623 -26.490 0.515 9.350 530 1HG ARG 623 HG2 ARG 623 -28.331 0.657 8.011 531 2HG ARG 623 HG3 ARG 623 -27.609 2.217 7.615 532 1HD ARG 623 HD2 ARG 623 -26.479 0.989 5.625 533 2HD ARG 623 HD3 ARG 623 -27.496 -0.390 6.021 534 HE ARG 623 HE ARG 623 -29.426 1.366 5.784 535 1HH1 ARG 623 HH11 ARG 623 -26.591 1.326 3.614 536 2HH1 ARG 623 HH12 ARG 623 -27.550 1.976 2.320 537 1HH2 ARG 623 HH21 ARG 623 -30.475 2.240 4.065 538 2HH2 ARG 623 HH22 ARG 623 -29.638 2.498 2.564 539 H ARG 624 H ARG 624 -23.377 0.406 7.053 540 HA ARG 624 HA ARG 624 -21.868 -0.764 9.302 541 1HB ARG 624 HB2 ARG 624 -21.531 -0.906 6.291 542 2HB ARG 624 HB3 ARG 624 -20.607 -1.866 7.439 543 1HG ARG 624 HG2 ARG 624 -22.404 -3.224 8.016 544 2HG ARG 624 HG3 ARG 624 -23.632 -2.048 7.561 545 1HD ARG 624 HD2 ARG 624 -21.872 -3.510 5.563 546 2HD ARG 624 HD3 ARG 624 -23.506 -3.999 6.040 547 HE ARG 624 HE ARG 624 -23.354 -1.220 5.113 548 1HH1 ARG 624 HH11 ARG 624 -23.670 -4.491 3.881 549 2HH1 ARG 624 HH12 ARG 624 -24.521 -3.957 2.456 550 1HH2 ARG 624 HH21 ARG 624 -24.519 -0.624 3.364 551 2HH2 ARG 624 HH22 ARG 624 -24.955 -1.812 2.155 552 H MET 625 H MET 625 -21.422 1.909 7.022 553 HA MET 625 HA MET 625 -18.645 2.364 7.734 554 1HB MET 625 HB2 MET 625 -19.841 3.262 5.631 555 2HB MET 625 HB3 MET 625 -20.569 4.474 6.694 556 1HG MET 625 HG2 MET 625 -18.580 5.367 5.639 557 2HG MET 625 HG3 MET 625 -18.291 5.213 7.368 558 1HE MET 625 HE1 MET 625 -15.786 5.530 7.101 559 2HE MET 625 HE2 MET 625 -14.688 4.593 6.054 560 3HE MET 625 HE3 MET 625 -15.864 5.729 5.346 561 H GLU 626 H GLU 626 -21.781 3.600 9.008 562 HA GLU 626 HA GLU 626 -20.699 5.185 11.101 563 1HB GLU 626 HB2 GLU 626 -23.322 3.759 10.762 564 2HB GLU 626 HB3 GLU 626 -22.935 4.661 12.226 565 1HG GLU 626 HG2 GLU 626 -22.788 5.853 9.419 566 2HG GLU 626 HG3 GLU 626 -24.192 5.939 10.467 567 H ASN 627 H ASN 627 -21.257 1.656 10.996 568 HA ASN 627 HA ASN 627 -20.420 1.201 13.747 569 1HB ASN 627 HB2 ASN 627 -20.361 -0.692 11.352 570 2HB ASN 627 HB3 ASN 627 -20.033 -1.146 13.016 571 1HD2 ASN 627 HD22 ASN 627 -21.990 -0.133 14.566 572 2HD2 ASN 627 HD21 ASN 627 -23.550 -0.682 13.976 573 H LEU 628 H LEU 628 -18.607 1.269 10.645 574 HA LEU 628 HA LEU 628 -16.054 0.703 11.758 575 1HB LEU 628 HB2 LEU 628 -16.669 0.542 9.408 576 2HB LEU 628 HB3 LEU 628 -16.833 2.281 9.270 577 HG LEU 628 HG LEU 628 -14.188 1.060 10.106 578 1HD1 LEU 628 HD11 LEU 628 -13.551 1.020 7.713 579 2HD1 LEU 628 HD12 LEU 628 -14.896 -0.083 8.014 580 3HD1 LEU 628 HD13 LEU 628 -15.204 1.496 7.271 581 1HD2 LEU 628 HD21 LEU 628 -13.280 3.047 8.894 582 2HD2 LEU 628 HD22 LEU 628 -14.942 3.573 8.563 583 3HD2 LEU 628 HD23 LEU 628 -14.326 3.525 10.230 584 H VAL 629 H VAL 629 -17.640 3.823 11.178 585 HA VAL 629 HA VAL 629 -15.782 5.600 12.378 586 HB VAL 629 HB VAL 629 -18.758 5.573 11.957 587 1HG1 VAL 629 HG11 VAL 629 -18.650 6.854 13.997 588 2HG1 VAL 629 HG12 VAL 629 -17.322 7.855 13.335 589 3HG1 VAL 629 HG13 VAL 629 -18.960 7.906 12.620 590 1HG2 VAL 629 HG21 VAL 629 -17.143 6.010 10.077 591 2HG2 VAL 629 HG22 VAL 629 -18.287 7.325 10.374 592 3HG2 VAL 629 HG23 VAL 629 -16.614 7.468 10.945 593 H ALA 630 H ALA 630 -18.411 3.764 14.026 594 HA ALA 630 HA ALA 630 -17.807 4.745 16.639 595 1HB ALA 630 HB1 ALA 630 -19.972 3.764 16.001 596 2HB ALA 630 HB2 ALA 630 -19.203 2.177 15.773 597 3HB ALA 630 HB3 ALA 630 -19.266 2.912 17.387 598 H TYR 631 H TYR 631 -16.647 1.802 14.912 599 HA TYR 631 HA TYR 631 -14.995 0.805 17.033 600 1HB TYR 631 HB2 TYR 631 -15.001 -0.827 15.525 601 2HB TYR 631 HB3 TYR 631 -15.484 0.236 14.231 602 HD1 TYR 631 HD1 TYR 631 -14.039 0.718 12.468 603 HD2 TYR 631 HD2 TYR 631 -12.417 -0.920 16.104 604 HE1 TYR 631 HE1 TYR 631 -11.868 0.377 11.334 605 HE2 TYR 631 HE2 TYR 631 -10.260 -1.277 14.951 606 HH TYR 631 HH TYR 631 -9.788 -0.377 11.498 607 H ALA 632 H ALA 632 -14.222 3.132 14.379 608 HA ALA 632 HA ALA 632 -11.561 3.665 15.213 609 1HB ALA 632 HB1 ALA 632 -12.442 4.328 13.036 610 2HB ALA 632 HB2 ALA 632 -13.575 5.462 13.803 611 3HB ALA 632 HB3 ALA 632 -11.832 5.752 13.906 612 H LYS 633 H LYS 633 -14.639 5.274 16.270 613 HA LYS 633 HA LYS 633 -13.383 7.100 18.119 614 1HB LYS 633 HB2 LYS 633 -16.156 5.837 18.078 615 2HB LYS 633 HB3 LYS 633 -15.647 7.011 19.297 616 1HG LYS 633 HG2 LYS 633 -15.167 8.679 17.566 617 2HG LYS 633 HG3 LYS 633 -15.647 7.535 16.300 618 1HD LYS 633 HD2 LYS 633 -17.934 7.424 17.245 619 2HD LYS 633 HD3 LYS 633 -17.462 8.571 18.519 620 1HE LYS 633 HE2 LYS 633 -16.905 10.258 16.769 621 2HE LYS 633 HE3 LYS 633 -17.411 9.120 15.514 622 1HZ LYS 633 HZ1 LYS 633 -19.182 10.214 17.641 623 2HZ LYS 633 HZ2 LYS 633 -19.193 10.678 16.078 624 3HZ LYS 633 HZ3 LYS 633 -19.656 9.166 16.481 625 H LYS 634 H LYS 634 -14.604 3.792 18.689 626 HA LYS 634 HA LYS 634 -13.962 3.603 21.459 627 1HB LYS 634 HB2 LYS 634 -15.436 2.059 20.196 628 2HB LYS 634 HB3 LYS 634 -14.037 1.415 19.331 629 1HG LYS 634 HG2 LYS 634 -13.088 0.579 21.465 630 2HG LYS 634 HG3 LYS 634 -14.465 1.270 22.349 631 1HD LYS 634 HD2 LYS 634 -16.014 -0.200 21.089 632 2HD LYS 634 HD3 LYS 634 -14.644 -0.873 20.177 633 1HE LYS 634 HE2 LYS 634 -13.645 -1.708 22.288 634 2HE LYS 634 HE3 LYS 634 -14.990 -1.022 23.207 635 1HZ LYS 634 HZ1 LYS 634 -15.330 -3.387 22.764 636 2HZ LYS 634 HZ2 LYS 634 -16.491 -2.524 22.011 637 3HZ LYS 634 HZ3 LYS 634 -15.252 -3.155 21.152 638 H VAL 635 H VAL 635 -11.974 2.655 18.626 639 HA VAL 635 HA VAL 635 -9.709 1.873 20.236 640 HB VAL 635 HB VAL 635 -9.931 2.462 17.266 641 1HG1 VAL 635 HG11 VAL 635 -7.624 1.311 18.894 642 2HG1 VAL 635 HG12 VAL 635 -7.769 1.141 17.138 643 3HG1 VAL 635 HG13 VAL 635 -7.585 2.751 17.846 644 1HG2 VAL 635 HG21 VAL 635 -11.200 0.468 18.085 645 2HG2 VAL 635 HG22 VAL 635 -9.813 -0.018 17.109 646 3HG2 VAL 635 HG23 VAL 635 -9.735 -0.134 18.878 647 H GLU 636 H GLU 636 -10.484 5.031 18.639 648 HA GLU 636 HA GLU 636 -8.009 6.281 19.105 649 1HB GLU 636 HB2 GLU 636 -9.845 7.217 17.790 650 2HB GLU 636 HB3 GLU 636 -10.803 7.488 19.236 651 1HG GLU 636 HG2 GLU 636 -8.050 8.732 18.833 652 2HG GLU 636 HG3 GLU 636 -9.497 9.461 18.160 653 H GLY 637 H GLY 637 -10.759 6.038 21.413 654 1HA GLY 637 HA2 GLY 637 -9.449 7.353 23.604 655 2HA GLY 637 HA3 GLY 637 -10.831 6.259 23.705 656 H ASP 638 H ASP 638 -9.224 4.004 22.436 657 HA ASP 638 HA ASP 638 -8.063 2.963 24.930 658 1HB ASP 638 HB2 ASP 638 -9.478 1.593 23.398 659 2HB ASP 638 HB3 ASP 638 -8.259 1.761 22.136 660 H MET 639 H MET 639 -6.914 4.081 21.757 661 HA MET 639 HA MET 639 -4.103 3.482 22.155 662 1HB MET 639 HB2 MET 639 -5.573 5.412 20.308 663 2HB MET 639 HB3 MET 639 -3.835 5.098 20.226 664 1HG MET 639 HG2 MET 639 -5.981 2.962 19.924 665 2HG MET 639 HG3 MET 639 -5.207 3.774 18.574 666 1HE MET 639 HE1 MET 639 -3.911 -0.030 18.757 667 2HE MET 639 HE2 MET 639 -5.464 0.525 19.417 668 3HE MET 639 HE3 MET 639 -4.899 1.131 17.841 669 H TYR 640 H TYR 640 -6.170 6.293 22.807 670 HA TYR 640 HA TYR 640 -4.189 8.080 23.845 671 1HB TYR 640 HB2 TYR 640 -6.504 8.591 23.113 672 2HB TYR 640 HB3 TYR 640 -7.134 7.728 24.493 673 HD1 TYR 640 HD1 TYR 640 -5.506 10.785 23.285 674 HD2 TYR 640 HD2 TYR 640 -6.991 8.731 26.780 675 HE1 TYR 640 HE1 TYR 640 -5.551 12.933 24.523 676 HE2 TYR 640 HE2 TYR 640 -7.053 10.903 28.012 677 HH TYR 640 HH TYR 640 -6.139 13.999 26.453 678 H GLU 641 H GLU 641 -6.371 5.778 25.660 679 HA GLU 641 HA GLU 641 -5.030 6.178 28.152 680 1HB GLU 641 HB2 GLU 641 -6.846 4.033 27.023 681 2HB GLU 641 HB3 GLU 641 -6.135 3.835 28.617 682 1HG GLU 641 HG2 GLU 641 -7.684 6.348 27.905 683 2HG GLU 641 HG3 GLU 641 -8.483 4.878 28.445 684 H SER 642 H SER 642 -4.093 4.203 25.437 685 HA SER 642 HA SER 642 -2.182 2.566 26.923 686 1HB SER 642 HB2 SER 642 -2.553 3.041 23.942 687 2HB SER 642 HB3 SER 642 -1.433 1.867 24.652 688 HG SER 642 HG SER 642 -4.262 1.923 24.806 689 H ALA 643 H ALA 643 -1.991 5.850 26.099 690 HA ALA 643 HA ALA 643 0.930 5.726 25.517 691 1HB ALA 643 HB1 ALA 643 -0.488 6.640 23.738 692 2HB ALA 643 HB2 ALA 643 -1.148 7.841 24.861 693 3HB ALA 643 HB3 ALA 643 0.569 7.890 24.416 694 H ASN 644 H ASN 644 2.364 7.041 26.471 695 HA ASN 644 HA ASN 644 1.556 8.500 28.949 696 1HB ASN 644 HB2 ASN 644 3.472 7.883 29.944 697 2HB ASN 644 HB3 ASN 644 3.267 6.485 28.900 698 1HD2 ASN 644 HD22 ASN 644 4.501 6.791 26.624 699 2HD2 ASN 644 HD21 ASN 644 6.100 7.508 26.812 700 H SER 645 H SER 645 2.179 9.243 25.808 701 HA SER 645 HA SER 645 2.454 12.068 26.483 702 1HB SER 645 HB2 SER 645 4.334 12.552 25.075 703 2HB SER 645 HB3 SER 645 4.828 11.281 26.202 704 HG SER 645 HG SER 645 5.512 10.698 24.167 705 H ARG 646 H ARG 646 1.935 13.473 24.710 706 HA ARG 646 HA ARG 646 -0.130 12.605 22.917 707 1HB ARG 646 HB2 ARG 646 -0.169 14.809 23.648 708 2HB ARG 646 HB3 ARG 646 1.508 15.128 23.255 709 1HG ARG 646 HG2 ARG 646 -0.463 14.523 21.031 710 2HG ARG 646 HG3 ARG 646 -0.480 16.097 21.801 711 1HD ARG 646 HD2 ARG 646 2.287 15.334 21.114 712 2HD ARG 646 HD3 ARG 646 1.227 15.239 19.718 713 HE ARG 646 HE ARG 646 0.977 17.505 19.662 714 1HH1 ARG 646 HH11 ARG 646 2.704 16.844 22.655 715 2HH1 ARG 646 HH12 ARG 646 2.777 18.533 23.067 716 1HH2 ARG 646 HH21 ARG 646 0.982 19.545 20.294 717 2HH2 ARG 646 HH22 ARG 646 1.905 20.058 21.699 718 H ASP 647 H ASP 647 3.350 12.854 22.466 719 HA ASP 647 HA ASP 647 3.407 12.407 19.613 720 1HB ASP 647 HB2 ASP 647 5.302 13.325 20.871 721 2HB ASP 647 HB3 ASP 647 5.433 11.844 21.816 722 H GLU 648 H GLU 648 3.655 10.154 22.435 723 HA GLU 648 HA GLU 648 3.822 7.769 20.840 724 1HB GLU 648 HB2 GLU 648 4.573 7.939 23.174 725 2HB GLU 648 HB3 GLU 648 2.901 8.161 23.714 726 1HG GLU 648 HG2 GLU 648 2.310 5.917 22.952 727 2HG GLU 648 HG3 GLU 648 3.889 5.720 22.181 728 H TYR 649 H TYR 649 1.020 9.488 22.273 729 HA TYR 649 HA TYR 649 -1.036 7.679 21.525 730 1HB TYR 649 HB2 TYR 649 -1.624 9.364 22.990 731 2HB TYR 649 HB3 TYR 649 -0.811 10.617 22.078 732 HD1 TYR 649 HD1 TYR 649 -3.709 8.239 21.704 733 HD2 TYR 649 HD2 TYR 649 -2.033 12.103 20.778 734 HE1 TYR 649 HE1 TYR 649 -5.919 8.987 20.823 735 HE2 TYR 649 HE2 TYR 649 -4.202 12.816 19.821 736 HH TYR 649 HH TYR 649 -7.144 10.788 20.182 737 H TYR 650 H TYR 650 -0.023 10.625 19.637 738 HA TYR 650 HA TYR 650 -1.299 9.957 17.215 739 1HB TYR 650 HB2 TYR 650 1.196 11.505 17.960 740 2HB TYR 650 HB3 TYR 650 1.050 11.014 16.295 741 HD1 TYR 650 HD1 TYR 650 0.496 13.714 18.279 742 HD2 TYR 650 HD2 TYR 650 -1.474 11.297 15.313 743 HE1 TYR 650 HE1 TYR 650 -0.785 15.723 17.490 744 HE2 TYR 650 HE2 TYR 650 -2.790 13.273 14.567 745 HH TYR 650 HH TYR 650 -2.940 15.511 14.642 746 H HIS 651 H HIS 651 1.978 8.837 18.262 747 HA HIS 651 HA HIS 651 2.491 7.408 15.857 748 1HB HIS 651 HB2 HIS 651 4.224 7.980 17.507 749 2HB HIS 651 HB3 HIS 651 3.526 6.828 18.653 750 HD1 HIS 651 HD1 HIS 651 4.745 6.555 14.926 751 HD2 HIS 651 HD2 HIS 651 4.760 4.545 18.641 752 HE1 HIS 651 HE1 HIS 651 6.014 4.376 14.565 753 H LEU 652 H LEU 652 0.796 6.293 18.829 754 HA LEU 652 HA LEU 652 0.383 3.595 17.916 755 1HB LEU 652 HB2 LEU 652 -1.003 5.383 19.945 756 2HB LEU 652 HB3 LEU 652 -1.540 3.747 19.627 757 HG LEU 652 HG LEU 652 1.272 4.420 20.580 758 1HD1 LEU 652 HD11 LEU 652 -0.482 4.972 22.241 759 2HD1 LEU 652 HD12 LEU 652 -1.135 3.331 22.097 760 3HD1 LEU 652 HD13 LEU 652 0.498 3.593 22.759 761 1HD2 LEU 652 HD21 LEU 652 1.344 1.999 21.149 762 2HD2 LEU 652 HD22 LEU 652 -0.220 1.772 20.336 763 3HD2 LEU 652 HD23 LEU 652 1.216 2.265 19.411 764 H LEU 653 H LEU 653 -1.713 6.522 17.589 765 HA LEU 653 HA LEU 653 -3.805 5.246 16.082 766 1HB LEU 653 HB2 LEU 653 -2.720 8.090 15.833 767 2HB LEU 653 HB3 LEU 653 -4.208 7.508 15.128 768 HG LEU 653 HG LEU 653 -3.640 7.896 18.087 769 1HD1 LEU 653 HD11 LEU 653 -5.523 9.269 16.128 770 2HD1 LEU 653 HD12 LEU 653 -5.403 9.607 17.864 771 3HD1 LEU 653 HD13 LEU 653 -4.025 9.946 16.809 772 1HD2 LEU 653 HD21 LEU 653 -6.226 6.933 16.806 773 2HD2 LEU 653 HD22 LEU 653 -5.137 5.945 17.806 774 3HD2 LEU 653 HD23 LEU 653 -5.959 7.336 18.521 775 H ALA 654 H ALA 654 -0.821 6.886 14.975 776 HA ALA 654 HA ALA 654 -1.299 6.444 12.209 777 1HB ALA 654 HB1 ALA 654 0.993 7.312 11.964 778 2HB ALA 654 HB2 ALA 654 0.024 8.314 13.063 779 3HB ALA 654 HB3 ALA 654 1.236 7.183 13.716 780 H GLU 655 H GLU 655 0.530 4.460 14.579 781 HA GLU 655 HA GLU 655 1.722 2.690 12.673 782 1HB GLU 655 HB2 GLU 655 2.481 2.852 14.991 783 2HB GLU 655 HB3 GLU 655 0.934 2.213 15.578 784 1HG GLU 655 HG2 GLU 655 1.376 0.063 14.467 785 2HG GLU 655 HG3 GLU 655 2.829 0.720 13.712 786 H LYS 656 H LYS 656 -1.407 2.362 14.506 787 HA LYS 656 HA LYS 656 -2.106 -0.077 13.123 788 1HB LYS 656 HB2 LYS 656 -4.229 0.063 14.050 789 2HB LYS 656 HB3 LYS 656 -3.115 0.600 15.289 790 1HG LYS 656 HG2 LYS 656 -3.922 2.756 15.338 791 2HG LYS 656 HG3 LYS 656 -4.463 2.759 13.658 792 1HD LYS 656 HD2 LYS 656 -5.784 1.036 15.759 793 2HD LYS 656 HD3 LYS 656 -6.300 2.700 15.420 794 1HE LYS 656 HE2 LYS 656 -6.881 2.197 13.160 795 2HE LYS 656 HE3 LYS 656 -6.036 0.647 13.188 796 1HZ LYS 656 HZ1 LYS 656 -8.459 1.205 14.816 797 2HZ LYS 656 HZ2 LYS 656 -8.456 0.393 13.395 798 3HZ LYS 656 HZ3 LYS 656 -7.693 -0.259 14.636 799 H ILE 657 H ILE 657 -2.620 3.301 12.333 800 HA ILE 657 HA ILE 657 -4.230 2.934 9.991 801 HB ILE 657 HB ILE 657 -2.465 5.055 11.140 802 1HG1 ILE 657 HG12 ILE 657 -4.915 4.566 11.718 803 2HG1 ILE 657 HG13 ILE 657 -4.457 6.230 11.399 804 1HG2 ILE 657 HG21 ILE 657 -2.962 6.622 9.259 805 2HG2 ILE 657 HG22 ILE 657 -1.754 5.390 8.906 806 3HG2 ILE 657 HG23 ILE 657 -3.402 5.216 8.263 807 1HD1 ILE 657 HD11 ILE 657 -5.596 4.517 9.172 808 2HD1 ILE 657 HD12 ILE 657 -6.618 5.377 10.323 809 3HD1 ILE 657 HD13 ILE 657 -5.485 6.294 9.325 810 H TYR 658 H TYR 658 -0.583 3.056 10.319 811 HA TYR 658 HA TYR 658 -0.269 2.597 7.529 812 1HB TYR 658 HB2 TYR 658 1.427 3.423 9.379 813 2HB TYR 658 HB3 TYR 658 1.817 1.722 9.495 814 HD1 TYR 658 HD1 TYR 658 2.349 4.796 7.784 815 HD2 TYR 658 HD2 TYR 658 2.342 0.535 7.028 816 HE1 TYR 658 HE1 TYR 658 3.220 5.163 5.462 817 HE2 TYR 658 HE2 TYR 658 3.273 1.007 4.743 818 HH TYR 658 HH TYR 658 3.772 2.481 3.205 819 H LYS 659 H LYS 659 -0.384 0.285 10.316 820 HA LYS 659 HA LYS 659 0.006 -2.120 8.896 821 1HB LYS 659 HB2 LYS 659 -0.199 -2.044 11.326 822 2HB LYS 659 HB3 LYS 659 -1.886 -1.532 11.208 823 1HG LYS 659 HG2 LYS 659 -2.473 -3.681 10.102 824 2HG LYS 659 HG3 LYS 659 -0.779 -4.197 10.238 825 1HD LYS 659 HD2 LYS 659 -0.939 -4.246 12.664 826 2HD LYS 659 HD3 LYS 659 -2.502 -3.417 12.627 827 1HE LYS 659 HE2 LYS 659 -2.898 -5.756 13.056 828 2HE LYS 659 HE3 LYS 659 -3.537 -5.335 11.459 829 1HZ LYS 659 HZ1 LYS 659 -2.303 -7.450 11.531 830 2HZ LYS 659 HZ2 LYS 659 -1.673 -6.409 10.433 831 3HZ LYS 659 HZ3 LYS 659 -0.910 -6.658 11.875 832 H ILE 660 H ILE 660 -3.176 -0.528 9.420 833 HA ILE 660 HA ILE 660 -4.665 -2.313 7.748 834 HB ILE 660 HB ILE 660 -5.156 0.515 8.744 835 1HG1 ILE 660 HG12 ILE 660 -6.381 -2.192 9.472 836 2HG1 ILE 660 HG13 ILE 660 -5.088 -1.417 10.366 837 1HG2 ILE 660 HG21 ILE 660 -7.099 -1.225 7.155 838 2HG2 ILE 660 HG22 ILE 660 -7.524 0.253 8.028 839 3HG2 ILE 660 HG23 ILE 660 -6.437 0.356 6.664 840 1HD1 ILE 660 HD11 ILE 660 -7.953 -0.426 10.146 841 2HD1 ILE 660 HD12 ILE 660 -7.098 -1.018 11.572 842 3HD1 ILE 660 HD13 ILE 660 -6.612 0.523 10.847 843 H GLN 661 H GLN 661 -3.200 0.886 6.902 844 HA GLN 661 HA GLN 661 -4.121 0.869 4.215 845 1HB GLN 661 HB2 GLN 661 -3.238 2.824 5.576 846 2HB GLN 661 HB3 GLN 661 -1.608 2.204 5.316 847 1HG GLN 661 HG2 GLN 661 -2.012 3.948 3.716 848 2HG GLN 661 HG3 GLN 661 -2.000 2.432 2.825 849 1HE2 GLN 661 HE22 GLN 661 -4.127 5.004 4.131 850 2HE2 GLN 661 HE21 GLN 661 -5.515 4.547 3.153 851 H LYS 662 H LYS 662 -0.913 -0.045 5.493 852 HA LYS 662 HA LYS 662 0.373 -0.785 3.084 853 1HB LYS 662 HB2 LYS 662 1.328 -0.165 5.251 854 2HB LYS 662 HB3 LYS 662 0.829 -1.703 5.956 855 1HG LYS 662 HG2 LYS 662 2.348 -2.877 4.542 856 2HG LYS 662 HG3 LYS 662 2.861 -1.396 3.709 857 1HD LYS 662 HD2 LYS 662 3.945 -0.615 5.832 858 2HD LYS 662 HD3 LYS 662 3.214 -1.991 6.693 859 1HE LYS 662 HE2 LYS 662 4.492 -3.552 5.220 860 2HE LYS 662 HE3 LYS 662 5.237 -2.164 4.417 861 1HZ LYS 662 HZ1 LYS 662 6.202 -1.534 6.578 862 2HZ LYS 662 HZ2 LYS 662 5.516 -2.828 7.305 863 3HZ LYS 662 HZ3 LYS 662 6.667 -3.045 6.172 864 H GLU 663 H GLU 663 -1.602 -2.765 5.300 865 HA GLU 663 HA GLU 663 -1.196 -5.251 3.833 866 1HB GLU 663 HB2 GLU 663 -3.168 -4.276 5.929 867 2HB GLU 663 HB3 GLU 663 -3.400 -5.807 5.102 868 1HG GLU 663 HG2 GLU 663 -1.193 -6.609 5.816 869 2HG GLU 663 HG3 GLU 663 -0.850 -5.064 6.593 870 H LEU 664 H LEU 664 -4.136 -3.086 4.011 871 HA LEU 664 HA LEU 664 -5.397 -4.663 1.998 872 1HB LEU 664 HB2 LEU 664 -6.083 -2.043 3.359 873 2HB LEU 664 HB3 LEU 664 -6.985 -2.609 1.974 874 HG LEU 664 HG LEU 664 -7.239 -4.875 3.277 875 1HD1 LEU 664 HD11 LEU 664 -5.710 -4.342 5.186 876 2HD1 LEU 664 HD12 LEU 664 -6.768 -2.979 5.618 877 3HD1 LEU 664 HD13 LEU 664 -7.371 -4.640 5.717 878 1HD2 LEU 664 HD21 LEU 664 -8.660 -2.324 4.094 879 2HD2 LEU 664 HD22 LEU 664 -9.095 -3.421 2.759 880 3HD2 LEU 664 HD23 LEU 664 -9.252 -3.962 4.438 881 H GLU 665 H GLU 665 -3.566 -1.614 1.624 882 HA GLU 665 HA GLU 665 -4.371 -1.169 -1.076 883 1HB GLU 665 HB2 GLU 665 -2.884 0.527 -1.185 884 2HB GLU 665 HB3 GLU 665 -3.160 0.441 0.533 885 1HG GLU 665 HG2 GLU 665 -0.991 -0.873 0.744 886 2HG GLU 665 HG3 GLU 665 -0.733 -0.633 -0.982 887 H GLU 666 H GLU 666 -2.459 -3.710 0.092 888 HA GLU 666 HA GLU 666 -1.576 -4.400 -2.690 889 1HB GLU 666 HB2 GLU 666 0.252 -4.249 -0.987 890 2HB GLU 666 HB3 GLU 666 -0.559 -5.499 -0.036 891 1HG GLU 666 HG2 GLU 666 -0.352 -7.060 -2.002 892 2HG GLU 666 HG3 GLU 666 0.525 -5.796 -2.869 893 H LYS 667 H LYS 667 -2.826 -5.930 0.295 894 HA LYS 667 HA LYS 667 -3.592 -8.378 -0.949 895 1HB LYS 667 HB2 LYS 667 -4.546 -7.077 1.640 896 2HB LYS 667 HB3 LYS 667 -4.899 -8.735 1.195 897 1HG LYS 667 HG2 LYS 667 -2.123 -7.576 1.694 898 2HG LYS 667 HG3 LYS 667 -3.037 -8.609 2.780 899 1HD LYS 667 HD2 LYS 667 -1.888 -9.405 0.069 900 2HD LYS 667 HD3 LYS 667 -1.283 -9.864 1.659 901 1HE LYS 667 HE2 LYS 667 -3.431 -11.045 2.136 902 2HE LYS 667 HE3 LYS 667 -4.007 -10.636 0.514 903 1HZ LYS 667 HZ1 LYS 667 -2.155 -11.927 -0.401 904 2HZ LYS 667 HZ2 LYS 667 -1.610 -12.296 1.094 905 3HZ LYS 667 HZ3 LYS 667 -3.049 -12.868 0.586 906 H ARG 668 H ARG 668 -5.280 -5.410 -1.169 907 HA ARG 668 HA ARG 668 -7.642 -6.864 -2.339 908 1HB ARG 668 HB2 ARG 668 -7.704 -4.021 -1.307 909 2HB ARG 668 HB3 ARG 668 -9.054 -5.056 -1.718 910 1HG ARG 668 HG2 ARG 668 -7.263 -5.238 0.718 911 2HG ARG 668 HG3 ARG 668 -8.937 -4.760 0.666 912 1HD ARG 668 HD2 ARG 668 -7.791 -7.526 0.362 913 2HD ARG 668 HD3 ARG 668 -8.839 -6.906 1.607 914 HE ARG 668 HE ARG 668 -10.691 -6.815 -0.023 915 1HH1 ARG 668 HH11 ARG 668 -8.008 -8.895 -1.027 916 2HH1 ARG 668 HH12 ARG 668 -9.111 -10.078 -1.675 917 1HH2 ARG 668 HH21 ARG 668 -11.957 -8.342 -0.807 918 2HH2 ARG 668 HH22 ARG 668 -11.300 -9.765 -1.593 919 H ARG 669 H ARG 669 -4.900 -5.364 -3.446 920 HA ARG 669 HA ARG 669 -6.297 -4.488 -5.915 921 1HB ARG 669 HB2 ARG 669 -6.205 -2.634 -4.044 922 2HB ARG 669 HB3 ARG 669 -4.527 -2.442 -4.517 923 1HG ARG 669 HG2 ARG 669 -6.546 -2.467 -6.746 924 2HG ARG 669 HG3 ARG 669 -6.701 -1.142 -5.603 925 1HD ARG 669 HD2 ARG 669 -4.536 -0.304 -6.039 926 2HD ARG 669 HD3 ARG 669 -4.023 -1.738 -6.905 927 HE ARG 669 HE ARG 669 -5.778 0.423 -7.915 928 1HH1 ARG 669 HH21 ARG 669 -4.577 -2.819 -8.581 929 2HH1 ARG 669 HH22 ARG 669 -4.979 -2.696 -10.275 930 1HH2 ARG 669 HH11 ARG 669 -6.347 0.465 -10.019 931 2HH2 ARG 669 HH12 ARG 669 -5.927 -0.853 -11.079 932 H SER 670 H SER 670 -3.437 -5.791 -4.640 933 HA SER 670 HA SER 670 -1.386 -4.713 -6.097 934 1HB SER 670 HB2 SER 670 -1.198 -6.399 -4.294 935 2HB SER 670 HB3 SER 670 -1.708 -7.659 -5.421 936 HG SER 670 HG SER 670 0.622 -6.012 -5.571 937 H ARG 671 H ARG 671 -3.355 -7.423 -7.252 938 HA ARG 671 HA ARG 671 -2.454 -6.912 -10.088 939 1HB ARG 671 HB2 ARG 671 -2.923 -9.571 -8.669 940 2HB ARG 671 HB3 ARG 671 -2.999 -9.399 -10.413 941 1HG ARG 671 HG2 ARG 671 -0.893 -10.257 -9.947 942 2HG ARG 671 HG3 ARG 671 -0.642 -8.589 -10.455 943 1HD ARG 671 HD2 ARG 671 -0.114 -7.902 -8.215 944 2HD ARG 671 HD3 ARG 671 -0.716 -9.427 -7.529 945 HE ARG 671 HE ARG 671 1.347 -10.067 -9.352 946 1HH1 ARG 671 HH11 ARG 671 1.177 -8.318 -6.309 947 2HH1 ARG 671 HH12 ARG 671 2.754 -8.877 -5.814 948 1HH2 ARG 671 HH21 ARG 671 3.374 -10.666 -8.678 949 2HH2 ARG 671 HH22 ARG 671 3.971 -10.128 -7.135 950 H LEU 672 H LEU 672 -5.086 -7.826 -7.955 951 HA LEU 672 HA LEU 672 -7.162 -6.992 -9.885 952 1HB LEU 672 HB2 LEU 672 -7.004 -9.733 -8.541 953 2HB LEU 672 HB3 LEU 672 -8.451 -9.101 -9.304 954 HG LEU 672 HG LEU 672 -5.847 -9.683 -10.779 955 1HD1 LEU 672 HD11 LEU 672 -7.061 -11.607 -11.692 956 2HD1 LEU 672 HD12 LEU 672 -6.922 -11.720 -9.932 957 3HD1 LEU 672 HD13 LEU 672 -8.465 -11.228 -10.669 958 1HD2 LEU 672 HD21 LEU 672 -7.194 -7.940 -11.908 959 2HD2 LEU 672 HD22 LEU 672 -7.255 -9.458 -12.808 960 3HD2 LEU 672 HD23 LEU 672 -8.637 -8.971 -11.801 961 1H SER 839 H1 SER 839 -8.526 -13.849 22.171 962 2H SER 839 H2 SER 839 -9.829 -14.836 22.244 963 3H SER 839 H3 SER 839 -9.571 -13.742 23.433 964 HA SER 839 HA SER 839 -11.342 -13.013 21.978 965 1HB SER 839 HB2 SER 839 -9.940 -11.307 23.098 966 2HB SER 839 HB3 SER 839 -8.838 -11.302 21.703 967 HG SER 839 HG SER 839 -10.543 -9.660 21.722 968 H ASP 840 H ASP 840 -12.166 -12.765 19.945 969 HA ASP 840 HA ASP 840 -10.835 -13.910 17.636 970 1HB ASP 840 HB2 ASP 840 -13.288 -13.959 18.075 971 2HB ASP 840 HB3 ASP 840 -13.348 -12.209 17.865 972 H ALA 841 H ALA 841 -10.758 -10.743 19.052 973 HA ALA 841 HA ALA 841 -10.110 -9.223 16.675 974 1HB ALA 841 HB1 ALA 841 -9.784 -8.546 19.625 975 2HB ALA 841 HB2 ALA 841 -9.749 -7.406 18.264 976 3HB ALA 841 HB3 ALA 841 -11.248 -8.269 18.653 977 H GLY 842 H GLY 842 -8.456 -11.187 16.269 978 1HA GLY 842 HA2 GLY 842 -5.842 -11.109 17.440 979 2HA GLY 842 HA3 GLY 842 -6.282 -11.841 15.896 980 H ASN 843 H ASN 843 -7.232 -8.816 15.355 981 HA ASN 843 HA ASN 843 -4.621 -7.498 14.867 982 1HB ASN 843 HB2 ASN 843 -6.797 -8.011 12.770 983 2HB ASN 843 HB3 ASN 843 -5.517 -6.823 12.572 984 1HD2 ASN 843 HD22 ASN 843 -6.276 -10.227 12.375 985 2HD2 ASN 843 HD21 ASN 843 -4.671 -10.707 11.845 986 H ILE 844 H ILE 844 -4.887 -5.166 14.558 987 HA ILE 844 HA ILE 844 -6.885 -4.047 16.318 988 HB ILE 844 HB ILE 844 -5.120 -2.265 14.658 989 1HG1 ILE 844 HG12 ILE 844 -4.060 -3.924 16.996 990 2HG1 ILE 844 HG13 ILE 844 -3.551 -4.073 15.310 991 1HG2 ILE 844 HG21 ILE 844 -5.776 -2.284 17.651 992 2HG2 ILE 844 HG22 ILE 844 -5.125 -0.939 16.696 993 3HG2 ILE 844 HG23 ILE 844 -6.788 -1.457 16.468 994 1HD1 ILE 844 HD11 ILE 844 -2.702 -1.743 15.343 995 2HD1 ILE 844 HD12 ILE 844 -3.059 -1.657 17.085 996 3HD1 ILE 844 HD13 ILE 844 -1.880 -2.827 16.481 997 H LEU 845 H LEU 845 -7.815 -5.218 13.773 998 HA LEU 845 HA LEU 845 -9.716 -3.131 12.875 999 1HB LEU 845 HB2 LEU 845 -8.020 -3.177 11.152 1000 2HB LEU 845 HB3 LEU 845 -8.018 -4.931 11.117 1001 HG LEU 845 HG LEU 845 -10.282 -4.936 10.137 1002 1HD1 LEU 845 HD11 LEU 845 -10.018 -1.921 9.957 1003 2HD1 LEU 845 HD12 LEU 845 -11.258 -2.911 9.165 1004 3HD1 LEU 845 HD13 LEU 845 -11.212 -2.804 10.941 1005 1HD2 LEU 845 HD21 LEU 845 -8.364 -3.154 8.600 1006 2HD2 LEU 845 HD22 LEU 845 -8.241 -4.920 8.713 1007 3HD2 LEU 845 HD23 LEU 845 -9.643 -4.181 7.922 1008 HA PRO 846 HA PRO 846 -11.732 -6.762 15.007 1009 1HB PRO 846 HB2 PRO 846 -13.745 -4.508 14.578 1010 2HB PRO 846 HB3 PRO 846 -13.720 -5.725 15.911 1011 1HG PRO 846 HG2 PRO 846 -12.651 -3.347 16.362 1012 2HG PRO 846 HG3 PRO 846 -11.627 -4.782 16.734 1013 1HD PRO 846 HD2 PRO 846 -11.671 -3.106 14.205 1014 2HD PRO 846 HD3 PRO 846 -10.248 -3.566 15.205 1015 H SER 847 H SER 847 -12.780 -8.452 14.134 1016 HA SER 847 HA SER 847 -12.757 -8.895 11.432 1017 1HB SER 847 HB2 SER 847 -14.063 -10.964 11.953 1018 2HB SER 847 HB3 SER 847 -12.660 -10.671 12.994 1019 HG SER 847 HG SER 847 -14.213 -11.157 14.400 1020 H ASP 848 H ASP 848 -15.742 -8.022 13.234 1021 HA ASP 848 HA ASP 848 -17.504 -8.350 11.002 1022 1HB ASP 848 HB2 ASP 848 -18.162 -8.249 13.416 1023 2HB ASP 848 HB3 ASP 848 -17.808 -6.521 13.419 1024 H ILE 849 H ILE 849 -15.533 -5.578 12.008 1025 HA ILE 849 HA ILE 849 -16.639 -3.795 9.922 1026 HB ILE 849 HB ILE 849 -14.373 -3.483 11.935 1027 1HG1 ILE 849 HG12 ILE 849 -15.728 -1.505 12.652 1028 2HG1 ILE 849 HG13 ILE 849 -16.999 -1.959 11.525 1029 1HG2 ILE 849 HG21 ILE 849 -15.227 -1.613 9.686 1030 2HG2 ILE 849 HG22 ILE 849 -14.175 -1.146 11.035 1031 3HG2 ILE 849 HG23 ILE 849 -13.623 -2.355 9.901 1032 1HD1 ILE 849 HD11 ILE 849 -16.072 -3.660 13.882 1033 2HD1 ILE 849 HD12 ILE 849 -17.442 -2.531 13.915 1034 3HD1 ILE 849 HD13 ILE 849 -17.508 -3.944 12.858 1035 H MET 850 H MET 850 -13.702 -5.781 10.488 1036 HA MET 850 HA MET 850 -12.176 -5.119 8.265 1037 1HB MET 850 HB2 MET 850 -11.501 -6.734 10.068 1038 2HB MET 850 HB3 MET 850 -12.580 -7.930 9.368 1039 1HG MET 850 HG2 MET 850 -11.339 -7.909 7.271 1040 2HG MET 850 HG3 MET 850 -10.236 -6.684 7.879 1041 1HE MET 850 HE1 MET 850 -7.766 -8.597 10.054 1042 2HE MET 850 HE2 MET 850 -8.006 -7.258 8.914 1043 3HE MET 850 HE3 MET 850 -8.942 -7.320 10.424 1044 H ASP 851 H ASP 851 -14.701 -7.697 8.335 1045 HA ASP 851 HA ASP 851 -14.550 -8.479 5.659 1046 1HB ASP 851 HB2 ASP 851 -15.779 -9.662 7.416 1047 2HB ASP 851 HB3 ASP 851 -16.960 -8.356 7.518 1048 H PHE 852 H PHE 852 -16.413 -5.704 6.957 1049 HA PHE 852 HA PHE 852 -17.715 -5.014 4.478 1050 1HB PHE 852 HB2 PHE 852 -18.494 -4.256 6.682 1051 2HB PHE 852 HB3 PHE 852 -17.016 -3.344 6.921 1052 HD1 PHE 852 HD1 PHE 852 -19.737 -3.628 4.306 1053 HD2 PHE 852 HD2 PHE 852 -17.192 -1.040 6.641 1054 HE1 PHE 852 HE1 PHE 852 -20.866 -1.634 3.339 1055 HE2 PHE 852 HE2 PHE 852 -18.323 0.941 5.672 1056 HZ PHE 852 HZ PHE 852 -20.156 0.651 4.016 1057 H VAL 853 H VAL 853 -14.576 -3.968 5.931 1058 HA VAL 853 HA VAL 853 -13.936 -2.190 3.728 1059 HB VAL 853 HB VAL 853 -11.864 -3.513 5.544 1060 1HG1 VAL 853 HG11 VAL 853 -11.982 -0.825 4.077 1061 2HG1 VAL 853 HG12 VAL 853 -10.621 -1.436 5.041 1062 3HG1 VAL 853 HG13 VAL 853 -11.072 -2.233 3.525 1063 1HG2 VAL 853 HG21 VAL 853 -13.475 -1.000 6.081 1064 2HG2 VAL 853 HG22 VAL 853 -13.419 -2.474 7.070 1065 3HG2 VAL 853 HG23 VAL 853 -11.975 -1.478 6.922 1066 H LEU 854 H LEU 854 -13.030 -5.625 4.399 1067 HA LEU 854 HA LEU 854 -11.358 -5.972 2.129 1068 1HB LEU 854 HB2 LEU 854 -13.142 -8.118 3.341 1069 2HB LEU 854 HB3 LEU 854 -11.731 -8.368 2.331 1070 HG LEU 854 HG LEU 854 -11.799 -7.460 5.199 1071 1HD1 LEU 854 HD11 LEU 854 -12.094 -9.852 4.791 1072 2HD1 LEU 854 HD12 LEU 854 -10.582 -9.885 3.856 1073 3HD1 LEU 854 HD13 LEU 854 -10.551 -9.520 5.593 1074 1HD2 LEU 854 HD21 LEU 854 -9.427 -7.353 5.281 1075 2HD2 LEU 854 HD22 LEU 854 -9.282 -7.786 3.563 1076 3HD2 LEU 854 HD23 LEU 854 -9.978 -6.215 4.046 1077 H LYS 855 H LYS 855 -14.885 -6.134 2.342 1078 HA LYS 855 HA LYS 855 -15.284 -7.239 -0.327 1079 1HB LYS 855 HB2 LYS 855 -16.797 -7.580 1.591 1080 2HB LYS 855 HB3 LYS 855 -17.211 -5.871 1.619 1081 1HG LYS 855 HG2 LYS 855 -17.648 -7.528 -0.889 1082 2HG LYS 855 HG3 LYS 855 -18.757 -7.672 0.472 1083 1HD LYS 855 HD2 LYS 855 -19.243 -5.255 0.399 1084 2HD LYS 855 HD3 LYS 855 -18.211 -5.058 -1.015 1085 1HE LYS 855 HE2 LYS 855 -20.625 -6.914 -0.883 1086 2HE LYS 855 HE3 LYS 855 -20.677 -5.260 -1.497 1087 1HZ LYS 855 HZ1 LYS 855 -20.403 -6.861 -3.296 1088 2HZ LYS 855 HZ2 LYS 855 -19.093 -5.893 -3.225 1089 3HZ LYS 855 HZ3 LYS 855 -19.013 -7.429 -2.665 1090 H ASN 856 H ASN 856 -15.429 -3.944 1.036 1091 HA ASN 856 HA ASN 856 -16.460 -2.758 -1.429 1092 1HB ASN 856 HB2 ASN 856 -15.512 -1.710 1.255 1093 2HB ASN 856 HB3 ASN 856 -15.824 -0.644 -0.105 1094 1HD2 ASN 856 HD22 ASN 856 -17.324 -2.565 2.351 1095 2HD2 ASN 856 HD21 ASN 856 -18.962 -2.072 1.949 1096 H THR 857 H THR 857 -13.228 -2.791 0.123 1097 HA THR 857 HA THR 857 -12.146 -0.767 -1.559 1098 HB THR 857 HB THR 857 -9.920 -1.521 -0.681 1099 HG1 THR 857 HG1 THR 857 -11.476 -3.189 0.990 1100 1HG2 THR 857 HG21 THR 857 -10.407 -0.794 1.622 1101 2HG2 THR 857 HG22 THR 857 -11.239 0.220 0.432 1102 3HG2 THR 857 HG23 THR 857 -12.155 -0.997 1.336 1103 HA PRO 858 HA PRO 858 -10.130 -3.951 -4.431 1104 1HB PRO 858 HB2 PRO 858 -11.405 -6.290 -5.064 1105 2HB PRO 858 HB3 PRO 858 -10.239 -6.132 -3.721 1106 1HG PRO 858 HG2 PRO 858 -13.257 -6.012 -3.565 1107 2HG PRO 858 HG3 PRO 858 -12.117 -6.941 -2.543 1108 1HD PRO 858 HD2 PRO 858 -13.132 -4.583 -1.762 1109 2HD PRO 858 HD3 PRO 858 -11.451 -5.022 -1.360 1110 H SER 859 H SER 859 -10.720 -2.189 -5.638 1111 HA SER 859 HA SER 859 -12.392 -2.849 -7.967 1112 1HB SER 859 HB2 SER 859 -12.920 -0.441 -6.179 1113 2HB SER 859 HB3 SER 859 -13.347 -0.444 -7.898 1114 HG SER 859 HG SER 859 -14.164 -2.538 -6.176 1115 H MET 860 H MET 860 -11.719 -1.770 -9.833 1116 HA MET 860 HA MET 860 -8.975 -1.194 -10.009 1117 1HB MET 860 HB2 MET 860 -9.354 -0.768 -12.318 1118 2HB MET 860 HB3 MET 860 -10.405 -2.087 -11.828 1119 1HG MET 860 HG2 MET 860 -11.240 0.808 -12.291 1120 2HG MET 860 HG3 MET 860 -11.490 -0.542 -13.385 1121 1HE MET 860 HE1 MET 860 -14.009 -0.141 -13.761 1122 2HE MET 860 HE2 MET 860 -15.159 0.222 -12.456 1123 3HE MET 860 HE3 MET 860 -13.830 1.349 -12.806 1124 H GLN 861 H GLN 861 -11.550 1.041 -9.321 1125 HA GLN 861 HA GLN 861 -10.197 3.488 -10.021 1126 1HB GLN 861 HB2 GLN 861 -12.542 2.813 -8.220 1127 2HB GLN 861 HB3 GLN 861 -11.990 4.469 -8.451 1128 1HG GLN 861 HG2 GLN 861 -12.729 2.665 -10.790 1129 2HG GLN 861 HG3 GLN 861 -13.912 3.661 -9.945 1130 1HE2 GLN 861 HE22 GLN 861 -13.972 4.322 -12.439 1131 2HE2 GLN 861 HE21 GLN 861 -12.994 5.739 -12.798 1132 H ALA 862 H ALA 862 -9.815 1.348 -7.277 1133 HA ALA 862 HA ALA 862 -8.639 3.346 -5.480 1134 1HB ALA 862 HB1 ALA 862 -8.154 1.380 -4.084 1135 2HB ALA 862 HB2 ALA 862 -9.837 1.348 -4.634 1136 3HB ALA 862 HB3 ALA 862 -8.631 0.296 -5.406 1137 H LEU 863 H LEU 863 -6.368 2.868 -4.625 1138 HA LEU 863 HA LEU 863 -4.433 1.933 -6.650 1139 1HB LEU 863 HB2 LEU 863 -3.135 3.987 -6.603 1140 2HB LEU 863 HB3 LEU 863 -4.741 4.211 -7.255 1141 HG LEU 863 HG LEU 863 -5.424 5.194 -4.972 1142 1HD1 LEU 863 HD11 LEU 863 -3.560 4.526 -3.532 1143 2HD1 LEU 863 HD12 LEU 863 -2.386 5.269 -4.643 1144 3HD1 LEU 863 HD13 LEU 863 -3.527 6.270 -3.720 1145 1HD2 LEU 863 HD21 LEU 863 -5.049 6.531 -6.996 1146 2HD2 LEU 863 HD22 LEU 863 -4.465 7.386 -5.564 1147 3HD2 LEU 863 HD23 LEU 863 -3.305 6.593 -6.654 1148 H GLY 864 H GLY 864 -2.224 1.806 -5.845 1149 1HA GLY 864 HA2 GLY 864 -1.232 2.215 -3.346 1150 2HA GLY 864 HA3 GLY 864 -2.058 0.663 -3.167 1151 H GLU 865 H GLU 865 0.729 1.114 -2.856 1152 HA GLU 865 HA GLU 865 1.780 -1.057 -4.443 1153 1HB GLU 865 HB2 GLU 865 3.597 0.111 -5.550 1154 2HB GLU 865 HB3 GLU 865 2.062 0.742 -6.112 1155 1HG GLU 865 HG2 GLU 865 2.325 2.724 -4.619 1156 2HG GLU 865 HG3 GLU 865 3.872 2.086 -4.056 1157 H SER 866 H SER 866 4.210 -1.363 -3.923 1158 HA SER 866 HA SER 866 5.266 -0.000 -1.585 1159 1HB SER 866 HB2 SER 866 4.448 -2.922 -1.444 1160 2HB SER 866 HB3 SER 866 5.787 -2.298 -0.465 1161 HG SER 866 HG SER 866 3.326 -0.930 -0.507 1162 HA PRO 867 HA PRO 867 8.939 -1.032 -3.902 1163 1HB PRO 867 HB2 PRO 867 10.913 -0.272 -2.198 1164 2HB PRO 867 HB3 PRO 867 9.744 0.905 -2.871 1165 1HG PRO 867 HG2 PRO 867 9.619 -0.495 -0.171 1166 2HG PRO 867 HG3 PRO 867 9.492 1.264 -0.508 1167 1HD PRO 867 HD2 PRO 867 7.285 -0.316 -0.220 1168 2HD PRO 867 HD3 PRO 867 7.324 1.038 -1.387 1169 H GLU 868 H GLU 868 8.066 -2.824 -1.128 1170 HA GLU 868 HA GLU 868 10.047 -4.985 -1.601 1171 1HB GLU 868 HB2 GLU 868 10.950 -3.320 0.071 1172 2HB GLU 868 HB3 GLU 868 9.539 -3.625 1.085 1173 1HG GLU 868 HG2 GLU 868 10.257 -6.059 1.199 1174 2HG GLU 868 HG3 GLU 868 11.726 -5.610 0.324 1175 H SER 869 H SER 869 9.266 -7.008 -1.037 1176 HA SER 869 HA SER 869 6.740 -7.398 0.415 1177 1HB SER 869 HB2 SER 869 5.731 -8.696 -1.462 1178 2HB SER 869 HB3 SER 869 5.825 -6.954 -1.750 1179 HG SER 869 HG SER 869 7.828 -8.782 -2.643 Start of MODEL 19 1 1H LYS 291 H1 LYS 291 8.745 1.479 -2.953 2 2H LYS 291 H2 LYS 291 9.808 2.589 -2.374 3 3H LYS 291 H3 LYS 291 9.933 1.024 -1.918 4 HA LYS 291 HA LYS 291 7.647 2.777 -1.287 5 1HB LYS 291 HB2 LYS 291 6.951 1.091 0.314 6 2HB LYS 291 HB3 LYS 291 6.858 0.544 -1.369 7 1HG LYS 291 HG2 LYS 291 9.288 -0.500 -0.706 8 2HG LYS 291 HG3 LYS 291 8.565 -0.450 0.897 9 1HD LYS 291 HD2 LYS 291 7.490 -1.887 -1.565 10 2HD LYS 291 HD3 LYS 291 8.282 -2.621 -0.171 11 1HE LYS 291 HE2 LYS 291 6.386 -1.846 1.284 12 2HE LYS 291 HE3 LYS 291 5.574 -1.215 -0.159 13 1HZ LYS 291 HZ1 LYS 291 6.300 -4.063 0.300 14 2HZ LYS 291 HZ2 LYS 291 4.778 -3.480 0.330 15 3HZ LYS 291 HZ3 LYS 291 5.613 -3.499 -1.066 16 H GLU 292 H GLU 292 8.572 4.502 -0.373 17 HA GLU 292 HA GLU 292 9.930 4.124 2.185 18 1HB GLU 292 HB2 GLU 292 12.013 5.217 1.558 19 2HB GLU 292 HB3 GLU 292 11.775 3.759 0.625 20 1HG GLU 292 HG2 GLU 292 11.606 6.628 -0.334 21 2HG GLU 292 HG3 GLU 292 12.748 5.387 -0.812 22 H LYS 293 H LYS 293 9.312 6.714 -0.324 23 HA LYS 293 HA LYS 293 9.105 8.811 1.668 24 1HB LYS 293 HB2 LYS 293 9.590 9.178 -0.752 25 2HB LYS 293 HB3 LYS 293 7.931 8.712 -1.149 26 1HG LYS 293 HG2 LYS 293 7.067 10.621 0.196 27 2HG LYS 293 HG3 LYS 293 8.728 11.047 0.657 28 1HD LYS 293 HD2 LYS 293 9.284 11.399 -1.743 29 2HD LYS 293 HD3 LYS 293 7.613 11.049 -2.190 30 1HE LYS 293 HE2 LYS 293 8.468 13.313 -0.318 31 2HE LYS 293 HE3 LYS 293 8.264 13.494 -2.060 32 1HZ LYS 293 HZ1 LYS 293 5.909 12.751 -1.730 33 2HZ LYS 293 HZ2 LYS 293 6.108 12.884 -0.100 34 3HZ LYS 293 HZ3 LYS 293 6.260 14.185 -1.040 35 H ARG 294 H ARG 294 6.561 6.964 -0.024 36 HA ARG 294 HA ARG 294 4.412 8.150 1.350 37 1HB ARG 294 HB2 ARG 294 2.975 6.570 0.417 38 2HB ARG 294 HB3 ARG 294 4.237 6.899 -0.745 39 1HG ARG 294 HG2 ARG 294 3.969 4.598 -0.888 40 2HG ARG 294 HG3 ARG 294 5.429 4.834 0.082 41 1HD ARG 294 HD2 ARG 294 3.863 2.954 0.811 42 2HD ARG 294 HD3 ARG 294 4.345 4.052 2.073 43 HE ARG 294 HE ARG 294 2.197 4.982 2.195 44 1HH1 ARG 294 HH11 ARG 294 2.221 2.536 -0.333 45 2HH1 ARG 294 HH12 ARG 294 0.468 2.521 -0.429 46 1HH2 ARG 294 HH21 ARG 294 -0.027 4.875 1.982 47 2HH2 ARG 294 HH22 ARG 294 -0.730 3.666 0.923 48 H ILE 295 H ILE 295 6.603 5.842 2.618 49 HA ILE 295 HA ILE 295 4.899 4.729 4.703 50 HB ILE 295 HB ILE 295 7.921 4.897 4.372 51 1HG1 ILE 295 HG12 ILE 295 6.816 3.573 2.625 52 2HG1 ILE 295 HG13 ILE 295 7.885 2.625 3.630 53 1HG2 ILE 295 HG21 ILE 295 7.690 4.632 6.676 54 2HG2 ILE 295 HG22 ILE 295 6.319 3.534 6.525 55 3HG2 ILE 295 HG23 ILE 295 7.952 2.994 6.069 56 1HD1 ILE 295 HD11 ILE 295 5.686 1.555 2.943 57 2HD1 ILE 295 HD12 ILE 295 6.080 1.482 4.666 58 3HD1 ILE 295 HD13 ILE 295 4.865 2.647 4.077 59 H LYS 296 H LYS 296 7.494 7.216 4.716 60 HA LYS 296 HA LYS 296 6.858 8.194 7.370 61 1HB LYS 296 HB2 LYS 296 9.070 8.435 6.169 62 2HB LYS 296 HB3 LYS 296 8.309 9.619 5.097 63 1HG LYS 296 HG2 LYS 296 7.798 11.046 7.089 64 2HG LYS 296 HG3 LYS 296 8.514 9.824 8.142 65 1HD LYS 296 HD2 LYS 296 10.086 11.628 7.828 66 2HD LYS 296 HD3 LYS 296 10.716 10.169 7.049 67 1HE LYS 296 HE2 LYS 296 9.913 11.029 4.839 68 2HE LYS 296 HE3 LYS 296 9.293 12.480 5.638 69 1HZ LYS 296 HZ1 LYS 296 11.584 13.003 6.304 70 2HZ LYS 296 HZ2 LYS 296 12.151 11.661 5.564 71 3HZ LYS 296 HZ3 LYS 296 11.493 12.863 4.682 72 H GLU 297 H GLU 297 5.928 9.281 4.092 73 HA GLU 297 HA GLU 297 4.391 11.574 4.755 74 1HB GLU 297 HB2 GLU 297 5.113 10.570 2.455 75 2HB GLU 297 HB3 GLU 297 3.650 9.619 2.591 76 1HG GLU 297 HG2 GLU 297 2.982 11.477 1.383 77 2HG GLU 297 HG3 GLU 297 2.439 11.893 2.993 78 H LEU 298 H LEU 298 3.164 8.156 4.509 79 HA LEU 298 HA LEU 298 0.479 8.759 5.245 80 1HB LEU 298 HB2 LEU 298 1.194 6.629 4.237 81 2HB LEU 298 HB3 LEU 298 2.215 6.279 5.632 82 HG LEU 298 HG LEU 298 0.091 6.257 7.062 83 1HD1 LEU 298 HD11 LEU 298 -1.211 6.305 4.306 84 2HD1 LEU 298 HD12 LEU 298 -2.027 5.785 5.798 85 3HD1 LEU 298 HD13 LEU 298 -1.463 7.448 5.644 86 1HD2 LEU 298 HD21 LEU 298 0.362 4.224 4.838 87 2HD2 LEU 298 HD22 LEU 298 1.250 4.266 6.380 88 3HD2 LEU 298 HD23 LEU 298 -0.502 4.029 6.392 89 H GLU 299 H GLU 299 3.271 7.789 7.296 90 HA GLU 299 HA GLU 299 1.898 7.843 9.783 91 1HB GLU 299 HB2 GLU 299 4.176 6.857 9.230 92 2HB GLU 299 HB3 GLU 299 4.830 8.499 9.244 93 1HG GLU 299 HG2 GLU 299 4.141 8.754 11.608 94 2HG GLU 299 HG3 GLU 299 3.447 7.130 11.587 95 H LEU 300 H LEU 300 3.573 10.404 7.970 96 HA LEU 300 HA LEU 300 3.124 12.579 9.778 97 1HB LEU 300 HB2 LEU 300 3.929 12.260 6.879 98 2HB LEU 300 HB3 LEU 300 3.606 13.849 7.471 99 HG LEU 300 HG LEU 300 5.690 11.961 8.663 100 1HD1 LEU 300 HD11 LEU 300 6.004 14.409 6.867 101 2HD1 LEU 300 HD12 LEU 300 7.319 13.430 7.556 102 3HD1 LEU 300 HD13 LEU 300 6.222 12.723 6.356 103 1HD2 LEU 300 HD21 LEU 300 5.118 14.911 9.190 104 2HD2 LEU 300 HD22 LEU 300 4.952 13.570 10.348 105 3HD2 LEU 300 HD23 LEU 300 6.548 14.024 9.764 106 H LEU 301 H LEU 301 0.872 11.153 7.446 107 HA LEU 301 HA LEU 301 -0.718 13.477 6.992 108 1HB LEU 301 HB2 LEU 301 -1.455 10.524 7.062 109 2HB LEU 301 HB3 LEU 301 -2.609 11.770 6.686 110 HG LEU 301 HG LEU 301 -0.133 11.134 5.048 111 1HD1 LEU 301 HD11 LEU 301 -3.096 10.840 4.433 112 2HD1 LEU 301 HD12 LEU 301 -1.739 10.402 3.370 113 3HD1 LEU 301 HD13 LEU 301 -2.004 9.517 4.878 114 1HD2 LEU 301 HD21 LEU 301 -1.101 12.713 3.376 115 2HD2 LEU 301 HD22 LEU 301 -2.281 13.246 4.595 116 3HD2 LEU 301 HD23 LEU 301 -0.537 13.526 4.831 117 H LEU 302 H LEU 302 -0.842 11.193 9.712 118 HA LEU 302 HA LEU 302 -2.966 12.629 11.123 119 1HB LEU 302 HB2 LEU 302 -0.949 10.500 11.824 120 2HB LEU 302 HB3 LEU 302 -1.769 11.338 13.132 121 HG LEU 302 HG LEU 302 -3.303 9.933 10.967 122 1HD1 LEU 302 HD11 LEU 302 -1.918 8.357 12.108 123 2HD1 LEU 302 HD12 LEU 302 -2.272 9.070 13.711 124 3HD1 LEU 302 HD13 LEU 302 -3.530 8.190 12.837 125 1HD2 LEU 302 HD21 LEU 302 -4.591 11.599 12.376 126 2HD2 LEU 302 HD22 LEU 302 -5.122 9.914 12.567 127 3HD2 LEU 302 HD23 LEU 302 -4.112 10.639 13.807 128 H MET 303 H MET 303 0.603 13.009 10.966 129 HA MET 303 HA MET 303 0.717 14.611 13.361 130 1HB MET 303 HB2 MET 303 2.669 13.390 12.390 131 2HB MET 303 HB3 MET 303 2.728 14.569 11.083 132 1HG MET 303 HG2 MET 303 3.055 16.388 12.734 133 2HG MET 303 HG3 MET 303 2.943 15.226 14.052 134 1HE MET 303 HE1 MET 303 4.691 13.447 14.625 135 2HE MET 303 HE2 MET 303 4.825 12.757 12.987 136 3HE MET 303 HE3 MET 303 6.284 13.271 13.851 137 H SER 304 H SER 304 0.442 15.341 9.898 138 HA SER 304 HA SER 304 0.537 18.143 9.853 139 1HB SER 304 HB2 SER 304 0.405 16.597 7.899 140 2HB SER 304 HB3 SER 304 -1.316 16.344 8.246 141 HG SER 304 HG SER 304 -0.913 17.999 6.663 142 H THR 305 H THR 305 -2.072 16.074 11.078 143 HA THR 305 HA THR 305 -4.178 17.948 11.320 144 HB THR 305 HB THR 305 -3.391 15.772 13.312 145 HG1 THR 305 HG1 THR 305 -3.730 14.607 11.669 146 1HG2 THR 305 HG21 THR 305 -5.966 17.308 12.767 147 2HG2 THR 305 HG22 THR 305 -5.961 15.730 13.583 148 3HG2 THR 305 HG23 THR 305 -5.108 17.107 14.298 149 H GLU 306 H GLU 306 -1.387 17.406 13.572 150 HA GLU 306 HA GLU 306 -2.389 19.423 15.446 151 1HB GLU 306 HB2 GLU 306 0.368 18.145 15.211 152 2HB GLU 306 HB3 GLU 306 -0.187 19.190 16.524 153 1HG GLU 306 HG2 GLU 306 -2.043 17.541 16.971 154 2HG GLU 306 HG3 GLU 306 -1.294 16.444 15.803 155 H ASN 307 H ASN 307 -0.088 19.424 12.705 156 HA ASN 307 HA ASN 307 0.856 22.106 13.066 157 1HB ASN 307 HB2 ASN 307 1.914 20.403 11.581 158 2HB ASN 307 HB3 ASN 307 0.518 20.497 10.503 159 1HD2 ASN 307 HD22 ASN 307 1.434 21.410 8.663 160 2HD2 ASN 307 HD21 ASN 307 2.270 22.956 8.690 161 H GLU 308 H GLU 308 -1.982 20.836 11.273 162 HA GLU 308 HA GLU 308 -2.955 23.353 10.307 163 1HB GLU 308 HB2 GLU 308 -4.215 20.632 10.818 164 2HB GLU 308 HB3 GLU 308 -5.164 21.979 10.198 165 1HG GLU 308 HG2 GLU 308 -2.622 21.017 8.821 166 2HG GLU 308 HG3 GLU 308 -4.217 20.355 8.478 167 H LEU 309 H LEU 309 -3.243 21.914 13.486 168 HA LEU 309 HA LEU 309 -5.426 23.794 14.274 169 1HB LEU 309 HB2 LEU 309 -4.400 21.123 15.217 170 2HB LEU 309 HB3 LEU 309 -5.169 22.174 16.385 171 HG LEU 309 HG LEU 309 -7.245 22.212 15.224 172 1HD1 LEU 309 HD11 LEU 309 -6.586 22.159 12.853 173 2HD1 LEU 309 HD12 LEU 309 -6.023 20.482 13.037 174 3HD1 LEU 309 HD13 LEU 309 -7.739 20.878 13.222 175 1HD2 LEU 309 HD21 LEU 309 -6.736 20.293 16.693 176 2HD2 LEU 309 HD22 LEU 309 -7.835 19.826 15.383 177 3HD2 LEU 309 HD23 LEU 309 -6.111 19.387 15.296 178 H LYS 310 H LYS 310 -2.035 23.146 14.991 179 HA LYS 310 HA LYS 310 -1.933 25.473 16.846 180 1HB LYS 310 HB2 LYS 310 -2.458 23.211 17.974 181 2HB LYS 310 HB3 LYS 310 -0.852 22.693 17.510 182 1HG LYS 310 HG2 LYS 310 -1.069 23.418 19.873 183 2HG LYS 310 HG3 LYS 310 0.174 24.293 19.004 184 1HD LYS 310 HD2 LYS 310 -1.135 25.739 20.519 185 2HD LYS 310 HD3 LYS 310 -1.246 26.278 18.843 186 1HE LYS 310 HE2 LYS 310 -3.467 25.166 18.633 187 2HE LYS 310 HE3 LYS 310 -3.340 24.596 20.302 188 1HZ LYS 310 HZ1 LYS 310 -4.663 26.625 20.155 189 2HZ LYS 310 HZ2 LYS 310 -3.315 26.930 21.020 190 3HZ LYS 310 HZ3 LYS 310 -3.434 27.452 19.474 191 H GLY 311 H GLY 311 -0.537 24.204 14.147 192 1HA GLY 311 HA2 GLY 311 1.346 24.971 13.004 193 2HA GLY 311 HA3 GLY 311 1.821 25.894 14.419 194 H GLN 312 H GLN 312 3.738 24.856 13.057 195 HA GLN 312 HA GLN 312 4.593 22.201 13.649 196 1HB GLN 312 HB2 GLN 312 6.716 22.984 12.551 197 2HB GLN 312 HB3 GLN 312 5.244 23.206 11.634 198 1HG GLN 312 HG2 GLN 312 6.649 25.123 11.323 199 2HG GLN 312 HG3 GLN 312 5.212 25.625 12.171 200 1HE2 GLN 312 HE22 GLN 312 8.724 24.990 12.568 201 2HE2 GLN 312 HE21 GLN 312 8.857 25.926 14.050 202 H GLN 313 H GLN 313 4.139 23.977 16.101 203 HA GLN 313 HA GLN 313 6.590 24.739 17.282 204 1HB GLN 313 HB2 GLN 313 3.950 24.018 18.625 205 2HB GLN 313 HB3 GLN 313 5.283 24.911 19.365 206 1HG GLN 313 HG2 GLN 313 5.030 26.673 17.568 207 2HG GLN 313 HG3 GLN 313 3.579 25.833 17.012 208 1HE2 GLN 313 HE22 GLN 313 1.619 26.196 18.144 209 2HE2 GLN 313 HE21 GLN 313 1.553 27.194 19.601 210 H ALA 314 H ALA 314 5.403 21.531 16.991 211 HA ALA 314 HA ALA 314 7.502 20.517 18.857 212 1HB ALA 314 HB1 ALA 314 5.915 18.788 19.609 213 2HB ALA 314 HB2 ALA 314 5.281 20.410 19.940 214 3HB ALA 314 HB3 ALA 314 4.651 19.474 18.563 215 H LEU 315 H LEU 315 7.130 20.840 15.782 216 HA LEU 315 HA LEU 315 6.957 18.274 14.548 217 1HB LEU 315 HB2 LEU 315 6.560 20.445 13.432 218 2HB LEU 315 HB3 LEU 315 8.252 20.884 13.660 219 HG LEU 315 HG LEU 315 8.944 19.050 12.138 220 1HD1 LEU 315 HD11 LEU 315 7.204 17.947 10.733 221 2HD1 LEU 315 HD12 LEU 315 7.086 17.471 12.428 222 3HD1 LEU 315 HD13 LEU 315 5.938 18.652 11.763 223 1HD2 LEU 315 HD21 LEU 315 6.816 20.912 10.997 224 2HD2 LEU 315 HD22 LEU 315 8.521 21.330 11.291 225 3HD2 LEU 315 HD23 LEU 315 8.108 20.105 10.081 226 1H GLY 586 H1 GLY 586 -2.260 8.993 40.638 227 2H GLY 586 H2 GLY 586 -3.084 7.773 39.916 228 3H GLY 586 H3 GLY 586 -2.864 7.768 41.537 229 1HA GLY 586 HA2 GLY 586 -0.492 7.503 41.311 230 2HA GLY 586 HA3 GLY 586 -1.364 6.178 40.526 231 H VAL 587 H VAL 587 -1.822 6.498 38.134 232 HA VAL 587 HA VAL 587 0.505 6.985 36.606 233 HB VAL 587 HB VAL 587 -2.424 6.884 35.781 234 1HG1 VAL 587 HG11 VAL 587 -1.190 7.909 33.939 235 2HG1 VAL 587 HG12 VAL 587 0.066 6.646 34.031 236 3HG1 VAL 587 HG13 VAL 587 -1.586 6.247 33.527 237 1HG2 VAL 587 HG21 VAL 587 -0.230 4.762 35.681 238 2HG2 VAL 587 HG22 VAL 587 -1.553 4.798 36.864 239 3HG2 VAL 587 HG23 VAL 587 -1.914 4.561 35.156 240 H ARG 588 H ARG 588 1.122 8.610 35.182 241 HA ARG 588 HA ARG 588 0.349 11.353 36.066 242 1HB ARG 588 HB2 ARG 588 2.937 10.391 34.788 243 2HB ARG 588 HB3 ARG 588 2.642 11.966 35.523 244 1HG ARG 588 HG2 ARG 588 2.728 9.295 36.988 245 2HG ARG 588 HG3 ARG 588 3.987 10.523 36.979 246 1HD ARG 588 HD2 ARG 588 2.570 12.096 38.191 247 2HD ARG 588 HD3 ARG 588 1.178 11.024 38.043 248 HE ARG 588 HE ARG 588 2.004 9.559 39.628 249 1HH1 ARG 588 HH21 ARG 588 4.381 12.110 39.195 250 2HH1 ARG 588 HH22 ARG 588 5.221 11.700 40.666 251 1HH2 ARG 588 HH12 ARG 588 3.114 9.111 41.494 252 2HH2 ARG 588 HH11 ARG 588 4.521 10.040 41.927 253 H LYS 589 H LYS 589 -1.243 10.182 34.077 254 HA LYS 589 HA LYS 589 -0.657 11.337 31.457 255 1HB LYS 589 HB2 LYS 589 -3.020 9.871 32.668 256 2HB LYS 589 HB3 LYS 589 -3.139 10.645 31.083 257 1HG LYS 589 HG2 LYS 589 -1.291 9.378 30.198 258 2HG LYS 589 HG3 LYS 589 -0.943 8.665 31.760 259 1HD LYS 589 HD2 LYS 589 -2.095 7.081 30.286 260 2HD LYS 589 HD3 LYS 589 -3.008 7.404 31.752 261 1HE LYS 589 HE2 LYS 589 -4.445 7.210 29.788 262 2HE LYS 589 HE3 LYS 589 -4.606 8.791 30.554 263 1HZ LYS 589 HZ1 LYS 589 -3.623 9.818 28.772 264 2HZ LYS 589 HZ2 LYS 589 -2.707 8.500 28.330 265 3HZ LYS 589 HZ3 LYS 589 -4.292 8.572 27.964 266 H GLY 590 H GLY 590 -0.217 13.399 32.959 267 1HA GLY 590 HA2 GLY 590 -2.485 15.218 33.282 268 2HA GLY 590 HA3 GLY 590 -0.769 15.597 33.450 269 H TRP 591 H TRP 591 -0.562 14.317 30.557 270 HA TRP 591 HA TRP 591 -0.330 16.704 29.092 271 1HB TRP 591 HB2 TRP 591 0.083 15.277 27.193 272 2HB TRP 591 HB3 TRP 591 0.842 14.605 28.622 273 HD1 TRP 591 HD1 TRP 591 0.170 12.251 29.408 274 HE1 TRP 591 HE1 TRP 591 -1.014 10.294 28.235 275 HE3 TRP 591 HE3 TRP 591 -2.141 14.829 25.623 276 HZ2 TRP 591 HZ2 TRP 591 -2.856 9.921 26.058 277 HZ3 TRP 591 HZ3 TRP 591 -3.532 13.611 23.962 278 HH2 TRP 591 HH2 TRP 591 -3.908 11.177 24.186 279 H HIS 592 H HIS 592 -3.240 15.087 29.786 280 HA HIS 592 HA HIS 592 -4.788 15.433 27.456 281 1HB HIS 592 HB2 HIS 592 -5.529 15.409 30.405 282 2HB HIS 592 HB3 HIS 592 -6.697 15.352 29.093 283 HD1 HIS 592 HD1 HIS 592 -7.510 12.962 30.011 284 HD2 HIS 592 HD2 HIS 592 -3.523 13.141 28.672 285 HE1 HIS 592 HE1 HIS 592 -6.740 10.555 29.714 286 H GLU 593 H GLU 593 -3.720 17.905 29.744 287 HA GLU 593 HA GLU 593 -5.613 19.941 29.131 288 1HB GLU 593 HB2 GLU 593 -4.063 21.436 30.119 289 2HB GLU 593 HB3 GLU 593 -4.029 19.941 31.043 290 1HG GLU 593 HG2 GLU 593 -1.897 19.298 29.932 291 2HG GLU 593 HG3 GLU 593 -1.965 20.755 28.944 292 H HIS 594 H HIS 594 -3.046 18.669 27.134 293 HA HIS 594 HA HIS 594 -2.857 21.058 25.421 294 1HB HIS 594 HB2 HIS 594 -1.650 18.289 25.100 295 2HB HIS 594 HB3 HIS 594 -1.187 19.745 24.218 296 HD1 HIS 594 HD1 HIS 594 -0.427 21.831 26.270 297 HD2 HIS 594 HD2 HIS 594 0.069 17.706 26.891 298 HE1 HIS 594 HE1 HIS 594 1.326 21.596 28.105 299 H VAL 595 H VAL 595 -5.229 18.844 25.662 300 HA VAL 595 HA VAL 595 -5.589 18.302 22.744 301 HB VAL 595 HB VAL 595 -6.754 16.879 25.168 302 1HG1 VAL 595 HG11 VAL 595 -7.208 15.050 23.560 303 2HG1 VAL 595 HG12 VAL 595 -8.168 16.483 23.229 304 3HG1 VAL 595 HG13 VAL 595 -6.745 16.115 22.218 305 1HG2 VAL 595 HG21 VAL 595 -4.295 16.542 25.068 306 2HG2 VAL 595 HG22 VAL 595 -5.171 15.075 24.664 307 3HG2 VAL 595 HG23 VAL 595 -4.436 16.047 23.365 308 H THR 596 H THR 596 -7.601 18.506 21.750 309 HA THR 596 HA THR 596 -9.816 19.918 23.158 310 HB THR 596 HB THR 596 -10.181 21.348 21.223 311 HG1 THR 596 HG1 THR 596 -8.530 21.427 19.608 312 1HG2 THR 596 HG21 THR 596 -7.256 21.617 22.036 313 2HG2 THR 596 HG22 THR 596 -8.317 22.883 21.385 314 3HG2 THR 596 HG23 THR 596 -8.636 22.205 22.992 315 H GLN 597 H GLN 597 -11.921 19.614 22.104 316 HA GLN 597 HA GLN 597 -12.363 16.971 21.117 317 1HB GLN 597 HB2 GLN 597 -14.019 18.411 22.301 318 2HB GLN 597 HB3 GLN 597 -14.160 19.412 20.843 319 1HG GLN 597 HG2 GLN 597 -14.982 17.454 19.571 320 2HG GLN 597 HG3 GLN 597 -14.797 16.424 20.993 321 1HE2 GLN 597 HE22 GLN 597 -17.261 17.063 19.397 322 2HE2 GLN 597 HE21 GLN 597 -18.377 17.740 20.576 323 H ASP 598 H ASP 598 -11.770 20.023 19.385 324 HA ASP 598 HA ASP 598 -12.333 19.131 16.724 325 1HB ASP 598 HB2 ASP 598 -10.332 21.175 17.773 326 2HB ASP 598 HB3 ASP 598 -10.751 20.959 16.077 327 H LEU 599 H LEU 599 -9.307 18.955 18.683 328 HA LEU 599 HA LEU 599 -7.732 17.693 16.661 329 1HB LEU 599 HB2 LEU 599 -6.803 18.834 18.646 330 2HB LEU 599 HB3 LEU 599 -7.487 17.599 19.696 331 HG LEU 599 HG LEU 599 -6.020 15.890 18.742 332 1HD1 LEU 599 HD11 LEU 599 -4.886 18.136 17.016 333 2HD1 LEU 599 HD12 LEU 599 -4.185 16.513 17.196 334 3HD1 LEU 599 HD13 LEU 599 -5.765 16.698 16.441 335 1HD2 LEU 599 HD21 LEU 599 -5.190 17.241 20.631 336 2HD2 LEU 599 HD22 LEU 599 -3.865 16.765 19.556 337 3HD2 LEU 599 HD23 LEU 599 -4.497 18.421 19.494 338 H ARG 600 H ARG 600 -9.721 16.259 19.315 339 HA ARG 600 HA ARG 600 -9.227 13.502 18.622 340 1HB ARG 600 HB2 ARG 600 -11.862 14.614 19.686 341 2HB ARG 600 HB3 ARG 600 -11.294 12.956 19.781 342 1HG ARG 600 HG2 ARG 600 -10.192 15.352 21.274 343 2HG ARG 600 HG3 ARG 600 -11.162 14.061 21.938 344 1HD ARG 600 HD2 ARG 600 -8.364 13.728 20.777 345 2HD ARG 600 HD3 ARG 600 -8.717 13.945 22.483 346 HE ARG 600 HE ARG 600 -8.846 11.476 21.036 347 1HH1 ARG 600 HH11 ARG 600 -10.388 13.070 23.777 348 2HH1 ARG 600 HH12 ARG 600 -10.789 11.541 24.506 349 1HH2 ARG 600 HH21 ARG 600 -9.319 9.723 21.967 350 2HH2 ARG 600 HH22 ARG 600 -10.175 9.632 23.515 351 H SER 601 H SER 601 -11.805 15.700 17.496 352 HA SER 601 HA SER 601 -13.222 13.884 15.879 353 1HB SER 601 HB2 SER 601 -12.791 16.862 15.406 354 2HB SER 601 HB3 SER 601 -14.063 15.867 14.670 355 HG SER 601 HG SER 601 -13.721 16.494 17.426 356 H HIS 602 H HIS 602 -10.597 16.121 14.817 357 HA HIS 602 HA HIS 602 -10.685 15.150 12.091 358 1HB HIS 602 HB2 HIS 602 -10.033 17.434 12.851 359 2HB HIS 602 HB3 HIS 602 -8.580 16.782 13.576 360 HD1 HIS 602 HD1 HIS 602 -9.611 18.505 10.570 361 HD2 HIS 602 HD2 HIS 602 -7.055 15.276 11.427 362 HE1 HIS 602 HE1 HIS 602 -8.034 18.300 8.581 363 H LEU 603 H LEU 603 -8.565 14.304 14.922 364 HA LEU 603 HA LEU 603 -6.872 12.531 13.383 365 1HB LEU 603 HB2 LEU 603 -7.566 12.664 16.324 366 2HB LEU 603 HB3 LEU 603 -6.420 11.507 15.668 367 HG LEU 603 HG LEU 603 -6.117 14.539 15.604 368 1HD1 LEU 603 HD11 LEU 603 -5.799 13.580 17.820 369 2HD1 LEU 603 HD12 LEU 603 -4.667 12.366 17.167 370 3HD1 LEU 603 HD13 LEU 603 -4.235 14.089 17.168 371 1HD2 LEU 603 HD21 LEU 603 -4.019 12.495 14.842 372 2HD2 LEU 603 HD22 LEU 603 -4.932 13.489 13.671 373 3HD2 LEU 603 HD23 LEU 603 -3.860 14.246 14.851 374 H VAL 604 H VAL 604 -9.963 11.895 15.180 375 HA VAL 604 HA VAL 604 -10.150 9.126 14.435 376 HB VAL 604 HB VAL 604 -12.356 11.145 14.990 377 1HG1 VAL 604 HG11 VAL 604 -13.363 9.321 13.655 378 2HG1 VAL 604 HG12 VAL 604 -12.565 8.102 14.678 379 3HG1 VAL 604 HG13 VAL 604 -13.829 9.144 15.346 380 1HG2 VAL 604 HG21 VAL 604 -11.338 8.800 16.634 381 2HG2 VAL 604 HG22 VAL 604 -10.809 10.465 16.896 382 3HG2 VAL 604 HG23 VAL 604 -12.509 10.039 17.139 383 H HIS 605 H HIS 605 -11.311 12.082 12.692 384 HA HIS 605 HA HIS 605 -12.417 10.735 10.478 385 1HB HIS 605 HB2 HIS 605 -12.691 13.146 10.899 386 2HB HIS 605 HB3 HIS 605 -10.985 13.423 10.542 387 HD1 HIS 605 HD1 HIS 605 -10.351 13.657 7.963 388 HD2 HIS 605 HD2 HIS 605 -14.231 12.293 8.800 389 HE1 HIS 605 HE1 HIS 605 -11.556 13.545 5.718 390 H LYS 606 H LYS 606 -9.047 11.821 10.920 391 HA LYS 606 HA LYS 606 -8.008 10.868 8.445 392 1HB LYS 606 HB2 LYS 606 -7.003 12.408 10.359 393 2HB LYS 606 HB3 LYS 606 -6.464 10.899 11.036 394 1HG LYS 606 HG2 LYS 606 -4.608 11.537 9.763 395 2HG LYS 606 HG3 LYS 606 -5.430 10.442 8.654 396 1HD LYS 606 HD2 LYS 606 -4.692 12.428 7.462 397 2HD LYS 606 HD3 LYS 606 -6.461 12.447 7.519 398 1HE LYS 606 HE2 LYS 606 -6.438 14.062 9.354 399 2HE LYS 606 HE3 LYS 606 -4.687 13.922 9.526 400 1HZ LYS 606 HZ1 LYS 606 -4.386 15.031 7.466 401 2HZ LYS 606 HZ2 LYS 606 -5.985 14.959 7.074 402 3HZ LYS 606 HZ3 LYS 606 -5.495 15.902 8.310 403 H LEU 607 H LEU 607 -8.240 9.255 11.604 404 HA LEU 607 HA LEU 607 -7.206 6.697 10.900 405 1HB LEU 607 HB2 LEU 607 -8.690 7.857 13.130 406 2HB LEU 607 HB3 LEU 607 -9.439 6.352 12.663 407 HG LEU 607 HG LEU 607 -7.084 5.296 12.792 408 1HD1 LEU 607 HD11 LEU 607 -6.572 7.795 14.488 409 2HD1 LEU 607 HD12 LEU 607 -5.531 6.362 14.385 410 3HD1 LEU 607 HD13 LEU 607 -5.760 7.410 12.969 411 1HD2 LEU 607 HD21 LEU 607 -8.860 4.853 14.420 412 2HD2 LEU 607 HD22 LEU 607 -7.297 5.001 15.236 413 3HD2 LEU 607 HD23 LEU 607 -8.459 6.345 15.300 414 H VAL 608 H VAL 608 -10.652 7.772 10.822 415 HA VAL 608 HA VAL 608 -11.759 5.455 9.673 416 HB VAL 608 HB VAL 608 -12.636 8.359 9.542 417 1HG1 VAL 608 HG11 VAL 608 -13.690 7.318 7.603 418 2HG1 VAL 608 HG12 VAL 608 -14.130 5.898 8.578 419 3HG1 VAL 608 HG13 VAL 608 -14.890 7.477 8.885 420 1HG2 VAL 608 HG21 VAL 608 -13.741 5.950 11.051 421 2HG2 VAL 608 HG22 VAL 608 -12.680 7.178 11.764 422 3HG2 VAL 608 HG23 VAL 608 -14.285 7.636 11.192 423 H GLN 609 H GLN 609 -10.479 8.322 7.883 424 HA GLN 609 HA GLN 609 -11.103 7.265 5.288 425 1HB GLN 609 HB2 GLN 609 -8.951 9.235 6.161 426 2HB GLN 609 HB3 GLN 609 -9.375 8.914 4.485 427 1HG GLN 609 HG2 GLN 609 -11.290 10.048 6.563 428 2HG GLN 609 HG3 GLN 609 -10.410 10.992 5.372 429 1HE2 GLN 609 HE22 GLN 609 -13.171 11.219 5.503 430 2HE2 GLN 609 HE21 GLN 609 -13.861 10.432 4.083 431 H ALA 610 H ALA 610 -8.174 6.851 7.329 432 HA ALA 610 HA ALA 610 -6.747 5.379 5.274 433 1HB ALA 610 HB1 ALA 610 -5.218 4.811 7.115 434 2HB ALA 610 HB2 ALA 610 -5.567 6.551 7.047 435 3HB ALA 610 HB3 ALA 610 -6.346 5.530 8.287 436 H ILE 611 H ILE 611 -8.880 4.392 7.986 437 HA ILE 611 HA ILE 611 -8.418 1.566 7.677 438 HB ILE 611 HB ILE 611 -10.836 2.985 8.837 439 1HG1 ILE 611 HG12 ILE 611 -8.719 1.637 10.526 440 2HG1 ILE 611 HG13 ILE 611 -8.397 3.251 9.962 441 1HG2 ILE 611 HG21 ILE 611 -11.227 0.572 8.201 442 2HG2 ILE 611 HG22 ILE 611 -9.847 0.099 9.191 443 3HG2 ILE 611 HG23 ILE 611 -11.299 0.813 9.938 444 1HD1 ILE 611 HD11 ILE 611 -9.415 3.252 12.210 445 2HD1 ILE 611 HD12 ILE 611 -10.456 4.084 11.041 446 3HD1 ILE 611 HD13 ILE 611 -10.863 2.449 11.571 447 H PHE 612 H PHE 612 -11.222 3.617 6.535 448 HA PHE 612 HA PHE 612 -11.293 1.954 4.084 449 1HB PHE 612 HB2 PHE 612 -12.914 0.909 5.456 450 2HB PHE 612 HB3 PHE 612 -13.599 2.445 5.942 451 HD1 PHE 612 HD1 PHE 612 -12.867 2.190 2.322 452 HD2 PHE 612 HD2 PHE 612 -15.770 1.329 5.392 453 HE1 PHE 612 HE1 PHE 612 -14.652 2.272 0.637 454 HE2 PHE 612 HE2 PHE 612 -17.564 1.340 3.675 455 HZ PHE 612 HZ PHE 612 -17.002 1.813 1.302 456 HA PRO 613 HA PRO 613 -11.678 6.334 2.745 457 1HB PRO 613 HB2 PRO 613 -10.539 6.017 0.282 458 2HB PRO 613 HB3 PRO 613 -9.592 6.246 1.778 459 1HG PRO 613 HG2 PRO 613 -10.158 3.682 0.298 460 2HG PRO 613 HG3 PRO 613 -8.643 4.207 1.091 461 1HD PRO 613 HD2 PRO 613 -10.525 2.480 2.190 462 2HD PRO 613 HD3 PRO 613 -9.386 3.427 3.171 463 H THR 614 H THR 614 -13.856 6.407 2.581 464 HA THR 614 HA THR 614 -15.557 4.565 1.432 465 HB THR 614 HB THR 614 -17.226 6.574 1.424 466 HG1 THR 614 HG1 THR 614 -15.630 8.207 1.437 467 1HG2 THR 614 HG21 THR 614 -17.088 4.831 3.179 468 2HG2 THR 614 HG22 THR 614 -15.781 5.738 3.968 469 3HG2 THR 614 HG23 THR 614 -17.418 6.427 3.860 470 HA PRO 615 HA PRO 615 -15.544 5.082 -2.892 471 1HB PRO 615 HB2 PRO 615 -18.085 4.312 -3.639 472 2HB PRO 615 HB3 PRO 615 -16.858 3.184 -2.984 473 1HG PRO 615 HG2 PRO 615 -19.061 4.553 -1.445 474 2HG PRO 615 HG3 PRO 615 -18.643 2.806 -1.479 475 1HD PRO 615 HD2 PRO 615 -17.676 4.350 0.499 476 2HD PRO 615 HD3 PRO 615 -16.606 3.176 -0.323 477 H ASP 616 H ASP 616 -18.172 6.644 -1.160 478 HA ASP 616 HA ASP 616 -18.082 9.120 -2.761 479 1HB ASP 616 HB2 ASP 616 -20.571 7.408 -2.362 480 2HB ASP 616 HB3 ASP 616 -20.645 9.068 -2.864 481 HA PRO 617 HA PRO 617 -18.754 10.683 1.335 482 1HB PRO 617 HB2 PRO 617 -20.115 13.052 0.989 483 2HB PRO 617 HB3 PRO 617 -18.399 12.802 0.558 484 1HG PRO 617 HG2 PRO 617 -20.814 12.729 -1.253 485 2HG PRO 617 HG3 PRO 617 -19.221 13.492 -1.549 486 1HD PRO 617 HD2 PRO 617 -19.948 11.041 -2.543 487 2HD PRO 617 HD3 PRO 617 -18.259 11.411 -2.149 488 H ALA 618 H ALA 618 -21.575 9.887 -0.549 489 HA ALA 618 HA ALA 618 -23.521 10.006 1.591 490 1HB ALA 618 HB1 ALA 618 -24.125 9.908 -0.805 491 2HB ALA 618 HB2 ALA 618 -23.401 8.287 -0.932 492 3HB ALA 618 HB3 ALA 618 -24.829 8.551 0.092 493 H ALA 619 H ALA 619 -21.047 7.603 0.633 494 HA ALA 619 HA ALA 619 -22.111 5.422 2.166 495 1HB ALA 619 HB1 ALA 619 -19.289 5.905 1.141 496 2HB ALA 619 HB2 ALA 619 -19.948 4.359 1.704 497 3HB ALA 619 HB3 ALA 619 -20.604 5.121 0.245 498 H LEU 620 H LEU 620 -20.041 8.147 3.096 499 HA LEU 620 HA LEU 620 -19.161 7.262 5.651 500 1HB LEU 620 HB2 LEU 620 -19.928 9.989 4.569 501 2HB LEU 620 HB3 LEU 620 -19.244 9.766 6.164 502 HG LEU 620 HG LEU 620 -17.824 8.896 3.627 503 1HD1 LEU 620 HD11 LEU 620 -17.496 11.464 5.236 504 2HD1 LEU 620 HD12 LEU 620 -16.494 10.951 3.858 505 3HD1 LEU 620 HD13 LEU 620 -18.204 11.335 3.612 506 1HD2 LEU 620 HD21 LEU 620 -17.024 7.821 5.761 507 2HD2 LEU 620 HD22 LEU 620 -15.820 8.899 5.055 508 3HD2 LEU 620 HD23 LEU 620 -16.777 9.434 6.454 509 H LYS 621 H LYS 621 -22.366 8.055 4.581 510 HA LYS 621 HA LYS 621 -23.451 8.133 7.378 511 1HB LYS 621 HB2 LYS 621 -24.285 9.405 4.761 512 2HB LYS 621 HB3 LYS 621 -25.530 8.973 5.907 513 1HG LYS 621 HG2 LYS 621 -24.962 11.264 6.244 514 2HG LYS 621 HG3 LYS 621 -24.545 10.320 7.662 515 1HD LYS 621 HD2 LYS 621 -22.860 12.039 7.205 516 2HD LYS 621 HD3 LYS 621 -22.177 10.427 7.130 517 1HE LYS 621 HE2 LYS 621 -21.235 11.705 5.335 518 2HE LYS 621 HE3 LYS 621 -22.306 10.498 4.626 519 1HZ LYS 621 HZ1 LYS 621 -22.981 13.364 5.035 520 2HZ LYS 621 HZ2 LYS 621 -22.610 12.663 3.607 521 3HZ LYS 621 HZ3 LYS 621 -23.992 12.258 4.378 522 H ASP 622 H ASP 622 -22.869 5.812 5.159 523 HA ASP 622 HA ASP 622 -25.385 4.455 4.907 524 1HB ASP 622 HB2 ASP 622 -23.391 4.019 3.502 525 2HB ASP 622 HB3 ASP 622 -22.554 3.337 4.902 526 H ARG 623 H ARG 623 -26.396 3.003 6.153 527 HA ARG 623 HA ARG 623 -26.100 2.867 8.955 528 1HB ARG 623 HB2 ARG 623 -27.770 0.882 8.682 529 2HB ARG 623 HB3 ARG 623 -28.226 2.524 8.303 530 1HG ARG 623 HG2 ARG 623 -29.152 1.001 6.685 531 2HG ARG 623 HG3 ARG 623 -28.051 2.127 5.914 532 1HD ARG 623 HD2 ARG 623 -26.295 0.310 5.908 533 2HD ARG 623 HD3 ARG 623 -27.507 -0.787 6.583 534 HE ARG 623 HE ARG 623 -27.909 0.659 3.984 535 1HH1 ARG 623 HH11 ARG 623 -27.847 -2.530 5.578 536 2HH1 ARG 623 HH12 ARG 623 -28.599 -3.241 4.164 537 1HH2 ARG 623 HH21 ARG 623 -28.852 -0.454 2.306 538 2HH2 ARG 623 HH22 ARG 623 -29.106 -2.179 2.480 539 H ARG 624 H ARG 624 -24.035 1.285 6.885 540 HA ARG 624 HA ARG 624 -23.190 -0.615 9.057 541 1HB ARG 624 HB2 ARG 624 -22.630 -0.672 6.076 542 2HB ARG 624 HB3 ARG 624 -22.049 -1.858 7.236 543 1HG ARG 624 HG2 ARG 624 -24.156 -2.807 7.585 544 2HG ARG 624 HG3 ARG 624 -25.043 -1.395 7.036 545 1HD ARG 624 HD2 ARG 624 -23.403 -3.173 5.206 546 2HD ARG 624 HD3 ARG 624 -25.156 -3.261 5.449 547 HE ARG 624 HE ARG 624 -24.277 -0.585 4.672 548 1HH1 ARG 624 HH11 ARG 624 -25.381 -3.696 3.408 549 2HH1 ARG 624 HH12 ARG 624 -25.685 -3.008 1.830 550 1HH2 ARG 624 HH21 ARG 624 -24.897 0.211 2.701 551 2HH2 ARG 624 HH22 ARG 624 -25.428 -0.895 1.448 552 H MET 625 H MET 625 -22.095 2.095 7.042 553 HA MET 625 HA MET 625 -19.309 1.929 7.760 554 1HB MET 625 HB2 MET 625 -20.249 3.336 5.880 555 2HB MET 625 HB3 MET 625 -20.902 4.437 7.098 556 1HG MET 625 HG2 MET 625 -18.804 5.279 6.209 557 2HG MET 625 HG3 MET 625 -18.602 4.888 7.911 558 1HE MET 625 HE1 MET 625 -14.977 4.114 6.631 559 2HE MET 625 HE2 MET 625 -16.042 5.487 6.250 560 3HE MET 625 HE3 MET 625 -15.978 4.850 7.904 561 H GLU 626 H GLU 626 -22.136 3.241 9.493 562 HA GLU 626 HA GLU 626 -20.804 4.486 11.625 563 1HB GLU 626 HB2 GLU 626 -22.769 4.123 12.947 564 2HB GLU 626 HB3 GLU 626 -23.162 4.687 11.319 565 1HG GLU 626 HG2 GLU 626 -23.769 2.409 10.638 566 2HG GLU 626 HG3 GLU 626 -23.234 1.798 12.206 567 H ASN 627 H ASN 627 -20.925 1.013 11.013 568 HA ASN 627 HA ASN 627 -19.950 0.258 13.679 569 1HB ASN 627 HB2 ASN 627 -19.873 -1.271 11.044 570 2HB ASN 627 HB3 ASN 627 -19.536 -1.930 12.635 571 1HD2 ASN 627 HD22 ASN 627 -21.838 -2.030 10.389 572 2HD2 ASN 627 HD21 ASN 627 -23.258 -2.157 11.427 573 H LEU 628 H LEU 628 -18.462 0.966 10.519 574 HA LEU 628 HA LEU 628 -15.731 0.408 11.218 575 1HB LEU 628 HB2 LEU 628 -16.890 0.710 8.917 576 2HB LEU 628 HB3 LEU 628 -16.793 2.432 9.200 577 HG LEU 628 HG LEU 628 -15.113 1.706 7.706 578 1HD1 LEU 628 HD11 LEU 628 -13.563 2.330 10.228 579 2HD1 LEU 628 HD12 LEU 628 -13.156 2.698 8.546 580 3HD1 LEU 628 HD13 LEU 628 -14.498 3.547 9.328 581 1HD2 LEU 628 HD21 LEU 628 -14.914 -0.629 8.521 582 2HD2 LEU 628 HD22 LEU 628 -13.360 0.157 8.239 583 3HD2 LEU 628 HD23 LEU 628 -13.944 -0.040 9.898 584 H VAL 629 H VAL 629 -17.636 3.384 11.135 585 HA VAL 629 HA VAL 629 -15.776 5.209 12.289 586 HB VAL 629 HB VAL 629 -18.792 5.091 12.141 587 1HG1 VAL 629 HG11 VAL 629 -17.172 7.426 13.206 588 2HG1 VAL 629 HG12 VAL 629 -18.890 7.469 12.726 589 3HG1 VAL 629 HG13 VAL 629 -18.397 6.472 14.093 590 1HG2 VAL 629 HG21 VAL 629 -17.474 5.441 10.036 591 2HG2 VAL 629 HG22 VAL 629 -18.490 6.826 10.443 592 3HG2 VAL 629 HG23 VAL 629 -16.743 6.883 10.765 593 H ALA 630 H ALA 630 -18.245 3.184 14.001 594 HA ALA 630 HA ALA 630 -17.509 4.022 16.630 595 1HB ALA 630 HB1 ALA 630 -18.733 2.000 17.341 596 2HB ALA 630 HB2 ALA 630 -19.637 2.905 16.115 597 3HB ALA 630 HB3 ALA 630 -18.769 1.417 15.665 598 H TYR 631 H TYR 631 -16.332 1.293 14.610 599 HA TYR 631 HA TYR 631 -14.422 0.226 16.437 600 1HB TYR 631 HB2 TYR 631 -14.970 -1.080 14.603 601 2HB TYR 631 HB3 TYR 631 -14.820 0.227 13.452 602 HD1 TYR 631 HD1 TYR 631 -12.909 -2.331 15.368 603 HD2 TYR 631 HD2 TYR 631 -12.713 0.906 12.488 604 HE1 TYR 631 HE1 TYR 631 -10.615 -2.907 14.861 605 HE2 TYR 631 HE2 TYR 631 -10.354 0.250 11.965 606 HH TYR 631 HH TYR 631 -8.714 -2.356 13.744 607 H ALA 632 H ALA 632 -13.994 2.834 13.950 608 HA ALA 632 HA ALA 632 -11.297 3.431 14.624 609 1HB ALA 632 HB1 ALA 632 -12.482 4.201 12.574 610 2HB ALA 632 HB2 ALA 632 -13.449 5.312 13.565 611 3HB ALA 632 HB3 ALA 632 -11.691 5.529 13.449 612 H LYS 633 H LYS 633 -14.363 4.773 15.980 613 HA LYS 633 HA LYS 633 -13.111 6.524 17.905 614 1HB LYS 633 HB2 LYS 633 -15.841 5.199 17.803 615 2HB LYS 633 HB3 LYS 633 -15.358 6.318 19.081 616 1HG LYS 633 HG2 LYS 633 -15.000 8.120 17.516 617 2HG LYS 633 HG3 LYS 633 -15.274 7.062 16.127 618 1HD LYS 633 HD2 LYS 633 -17.615 6.682 16.860 619 2HD LYS 633 HD3 LYS 633 -17.342 7.742 18.262 620 1HE LYS 633 HE2 LYS 633 -16.754 9.605 16.680 621 2HE LYS 633 HE3 LYS 633 -17.139 8.543 15.320 622 1HZ LYS 633 HZ1 LYS 633 -19.024 9.967 15.904 623 2HZ LYS 633 HZ2 LYS 633 -19.431 8.410 16.173 624 3HZ LYS 633 HZ3 LYS 633 -19.063 9.388 17.428 625 H LYS 634 H LYS 634 -13.837 3.070 18.073 626 HA LYS 634 HA LYS 634 -13.143 2.771 20.877 627 1HB LYS 634 HB2 LYS 634 -14.585 1.159 19.706 628 2HB LYS 634 HB3 LYS 634 -13.271 0.717 18.626 629 1HG LYS 634 HG2 LYS 634 -13.604 -0.971 20.345 630 2HG LYS 634 HG3 LYS 634 -11.996 -0.259 20.468 631 1HD LYS 634 HD2 LYS 634 -12.740 1.135 22.381 632 2HD LYS 634 HD3 LYS 634 -14.387 0.484 22.221 633 1HE LYS 634 HE2 LYS 634 -13.541 -1.789 22.691 634 2HE LYS 634 HE3 LYS 634 -11.884 -1.177 22.772 635 1HZ LYS 634 HZ1 LYS 634 -12.521 0.155 24.699 636 2HZ LYS 634 HZ2 LYS 634 -14.069 -0.367 24.618 637 3HZ LYS 634 HZ3 LYS 634 -12.871 -1.412 24.987 638 H VAL 635 H VAL 635 -11.257 2.173 17.866 639 HA VAL 635 HA VAL 635 -8.765 1.572 19.157 640 HB VAL 635 HB VAL 635 -9.283 2.895 16.463 641 1HG1 VAL 635 HG11 VAL 635 -6.710 1.691 17.589 642 2HG1 VAL 635 HG12 VAL 635 -6.967 2.168 15.896 643 3HG1 VAL 635 HG13 VAL 635 -6.972 3.396 17.161 644 1HG2 VAL 635 HG21 VAL 635 -8.569 0.016 17.200 645 2HG2 VAL 635 HG22 VAL 635 -10.161 0.567 16.653 646 3HG2 VAL 635 HG23 VAL 635 -8.784 0.654 15.555 647 H GLU 636 H GLU 636 -10.035 4.745 18.003 648 HA GLU 636 HA GLU 636 -8.083 6.485 18.941 649 1HB GLU 636 HB2 GLU 636 -9.909 7.268 17.644 650 2HB GLU 636 HB3 GLU 636 -11.091 6.643 18.775 651 1HG GLU 636 HG2 GLU 636 -11.063 9.030 18.974 652 2HG GLU 636 HG3 GLU 636 -10.509 8.312 20.453 653 H GLY 637 H GLY 637 -10.931 5.425 20.903 654 1HA GLY 637 HA2 GLY 637 -10.159 6.711 23.296 655 2HA GLY 637 HA3 GLY 637 -11.242 5.318 23.172 656 H ASP 638 H ASP 638 -9.187 3.486 22.074 657 HA ASP 638 HA ASP 638 -8.088 2.612 24.650 658 1HB ASP 638 HB2 ASP 638 -9.108 1.115 22.890 659 2HB ASP 638 HB3 ASP 638 -7.739 1.473 21.840 660 H MET 639 H MET 639 -6.781 3.964 21.608 661 HA MET 639 HA MET 639 -3.977 3.741 22.349 662 1HB MET 639 HB2 MET 639 -5.403 5.548 20.354 663 2HB MET 639 HB3 MET 639 -3.654 5.331 20.456 664 1HG MET 639 HG2 MET 639 -5.628 3.092 19.842 665 2HG MET 639 HG3 MET 639 -4.786 4.027 18.638 666 1HE MET 639 HE1 MET 639 -5.018 0.813 20.403 667 2HE MET 639 HE2 MET 639 -3.393 0.345 20.944 668 3HE MET 639 HE3 MET 639 -4.285 1.606 21.816 669 H TYR 640 H TYR 640 -6.420 6.328 22.608 670 HA TYR 640 HA TYR 640 -4.805 8.346 23.817 671 1HB TYR 640 HB2 TYR 640 -7.001 8.604 22.745 672 2HB TYR 640 HB3 TYR 640 -7.772 7.697 24.027 673 HD1 TYR 640 HD1 TYR 640 -6.097 10.865 23.110 674 HD2 TYR 640 HD2 TYR 640 -8.267 8.770 26.192 675 HE1 TYR 640 HE1 TYR 640 -6.450 13.009 24.312 676 HE2 TYR 640 HE2 TYR 640 -8.646 10.927 27.382 677 HH TYR 640 HH TYR 640 -8.322 13.201 27.356 678 H GLU 641 H GLU 641 -6.903 5.825 25.335 679 HA GLU 641 HA GLU 641 -6.238 6.500 28.041 680 1HB GLU 641 HB2 GLU 641 -8.240 5.298 27.428 681 2HB GLU 641 HB3 GLU 641 -7.302 3.949 26.770 682 1HG GLU 641 HG2 GLU 641 -6.571 3.263 28.910 683 2HG GLU 641 HG3 GLU 641 -7.060 4.787 29.676 684 H SER 642 H SER 642 -4.587 4.479 25.666 685 HA SER 642 HA SER 642 -2.842 3.162 27.611 686 1HB SER 642 HB2 SER 642 -2.643 3.388 24.581 687 2HB SER 642 HB3 SER 642 -1.592 2.391 25.602 688 HG SER 642 HG SER 642 -4.382 2.163 25.173 689 H ALA 643 H ALA 643 -2.490 6.050 25.554 690 HA ALA 643 HA ALA 643 0.332 6.147 25.642 691 1HB ALA 643 HB1 ALA 643 -1.730 8.286 25.044 692 2HB ALA 643 HB2 ALA 643 -0.008 8.349 24.604 693 3HB ALA 643 HB3 ALA 643 -1.068 7.119 23.888 694 H ASN 644 H ASN 644 1.753 6.956 26.961 695 HA ASN 644 HA ASN 644 1.104 8.337 29.456 696 1HB ASN 644 HB2 ASN 644 2.893 6.639 29.255 697 2HB ASN 644 HB3 ASN 644 3.741 7.651 28.085 698 1HD2 ASN 644 HD22 ASN 644 5.307 8.984 28.923 699 2HD2 ASN 644 HD21 ASN 644 5.345 9.516 30.594 700 H SER 645 H SER 645 1.891 9.424 26.227 701 HA SER 645 HA SER 645 1.730 12.246 27.121 702 1HB SER 645 HB2 SER 645 3.670 12.940 25.920 703 2HB SER 645 HB3 SER 645 4.155 11.615 26.988 704 HG SER 645 HG SER 645 5.023 11.282 24.938 705 H ARG 646 H ARG 646 1.334 13.766 25.364 706 HA ARG 646 HA ARG 646 -0.633 13.034 23.448 707 1HB ARG 646 HB2 ARG 646 -0.307 15.316 24.303 708 2HB ARG 646 HB3 ARG 646 1.285 15.401 23.545 709 1HG ARG 646 HG2 ARG 646 0.292 15.346 21.307 710 2HG ARG 646 HG3 ARG 646 -1.313 15.033 21.988 711 1HD ARG 646 HD2 ARG 646 -1.065 17.401 21.330 712 2HD ARG 646 HD3 ARG 646 -1.353 17.193 23.055 713 HE ARG 646 HE ARG 646 0.731 18.061 23.551 714 1HH1 ARG 646 HH12 ARG 646 0.696 17.533 20.051 715 2HH1 ARG 646 HH11 ARG 646 2.238 18.326 19.872 716 1HH2 ARG 646 HH21 ARG 646 2.650 19.071 23.197 717 2HH2 ARG 646 HH22 ARG 646 3.292 19.189 21.588 718 H ASP 647 H ASP 647 2.840 13.520 23.022 719 HA ASP 647 HA ASP 647 3.034 12.985 20.232 720 1HB ASP 647 HB2 ASP 647 4.803 14.016 21.610 721 2HB ASP 647 HB3 ASP 647 5.034 12.498 22.476 722 H GLU 648 H GLU 648 3.264 10.703 23.029 723 HA GLU 648 HA GLU 648 3.646 8.359 21.398 724 1HB GLU 648 HB2 GLU 648 4.245 8.543 23.795 725 2HB GLU 648 HB3 GLU 648 2.528 8.600 24.222 726 1HG GLU 648 HG2 GLU 648 2.192 6.346 23.336 727 2HG GLU 648 HG3 GLU 648 3.839 6.309 22.695 728 H TYR 649 H TYR 649 0.700 9.937 22.680 729 HA TYR 649 HA TYR 649 -1.229 8.034 21.809 730 1HB TYR 649 HB2 TYR 649 -2.113 9.557 23.239 731 2HB TYR 649 HB3 TYR 649 -1.141 10.878 22.660 732 HD1 TYR 649 HD1 TYR 649 -3.985 8.699 21.482 733 HD2 TYR 649 HD2 TYR 649 -2.181 12.620 21.583 734 HE1 TYR 649 HE1 TYR 649 -6.023 9.681 20.438 735 HE2 TYR 649 HE2 TYR 649 -4.201 13.589 20.539 736 HH TYR 649 HH TYR 649 -6.326 13.204 19.843 737 H TYR 650 H TYR 650 -0.234 11.046 20.075 738 HA TYR 650 HA TYR 650 -1.364 10.484 17.549 739 1HB TYR 650 HB2 TYR 650 -0.366 12.607 17.716 740 2HB TYR 650 HB3 TYR 650 1.053 12.000 18.558 741 HD1 TYR 650 HD1 TYR 650 -0.580 12.168 15.198 742 HD2 TYR 650 HD2 TYR 650 3.039 11.362 17.413 743 HE1 TYR 650 HE1 TYR 650 0.595 11.662 13.099 744 HE2 TYR 650 HE2 TYR 650 4.221 10.845 15.285 745 HH TYR 650 HH TYR 650 2.531 10.759 12.143 746 H HIS 651 H HIS 651 1.875 9.324 18.727 747 HA HIS 651 HA HIS 651 2.512 7.990 16.300 748 1HB HIS 651 HB2 HIS 651 4.155 8.607 18.019 749 2HB HIS 651 HB3 HIS 651 3.455 7.435 19.139 750 HD1 HIS 651 HD1 HIS 651 5.371 7.468 15.764 751 HD2 HIS 651 HD2 HIS 651 4.278 4.932 18.942 752 HE1 HIS 651 HE1 HIS 651 6.602 5.270 15.379 753 H LEU 652 H LEU 652 0.904 6.727 19.240 754 HA LEU 652 HA LEU 652 0.628 4.020 18.356 755 1HB LEU 652 HB2 LEU 652 -0.807 5.786 20.374 756 2HB LEU 652 HB3 LEU 652 -1.333 4.146 20.087 757 HG LEU 652 HG LEU 652 1.489 4.842 20.985 758 1HD1 LEU 652 HD11 LEU 652 -0.913 3.816 22.567 759 2HD1 LEU 652 HD12 LEU 652 0.742 4.022 23.193 760 3HD1 LEU 652 HD13 LEU 652 -0.190 5.434 22.684 761 1HD2 LEU 652 HD21 LEU 652 1.575 2.434 21.594 762 2HD2 LEU 652 HD22 LEU 652 -0.014 2.190 20.840 763 3HD2 LEU 652 HD23 LEU 652 1.396 2.658 19.856 764 H LEU 653 H LEU 653 -1.525 6.846 17.854 765 HA LEU 653 HA LEU 653 -3.553 5.423 16.362 766 1HB LEU 653 HB2 LEU 653 -2.570 8.307 16.202 767 2HB LEU 653 HB3 LEU 653 -3.963 7.703 15.345 768 HG LEU 653 HG LEU 653 -3.707 7.865 18.374 769 1HD1 LEU 653 HD11 LEU 653 -5.416 9.671 18.060 770 2HD1 LEU 653 HD12 LEU 653 -3.853 10.054 17.322 771 3HD1 LEU 653 HD13 LEU 653 -5.217 9.519 16.310 772 1HD2 LEU 653 HD21 LEU 653 -5.228 6.027 17.713 773 2HD2 LEU 653 HD22 LEU 653 -6.078 7.386 18.454 774 3HD2 LEU 653 HD23 LEU 653 -6.143 7.164 16.699 775 H ALA 654 H ALA 654 -0.600 7.182 15.283 776 HA ALA 654 HA ALA 654 -0.996 6.632 12.531 777 1HB ALA 654 HB1 ALA 654 1.596 7.329 13.974 778 2HB ALA 654 HB2 ALA 654 1.248 7.537 12.244 779 3HB ALA 654 HB3 ALA 654 0.379 8.508 13.436 780 H GLU 655 H GLU 655 0.636 4.636 14.958 781 HA GLU 655 HA GLU 655 1.707 2.711 13.125 782 1HB GLU 655 HB2 GLU 655 2.322 2.906 15.506 783 2HB GLU 655 HB3 GLU 655 0.709 2.362 15.971 784 1HG GLU 655 HG2 GLU 655 1.149 0.179 14.818 785 2HG GLU 655 HG3 GLU 655 2.760 0.758 14.376 786 H LYS 656 H LYS 656 -1.619 2.942 14.571 787 HA LYS 656 HA LYS 656 -2.455 0.445 13.243 788 1HB LYS 656 HB2 LYS 656 -4.039 2.590 14.713 789 2HB LYS 656 HB3 LYS 656 -4.812 1.358 13.714 790 1HG LYS 656 HG2 LYS 656 -5.005 0.429 15.685 791 2HG LYS 656 HG3 LYS 656 -3.595 -0.405 15.027 792 1HD LYS 656 HD2 LYS 656 -3.263 1.968 16.851 793 2HD LYS 656 HD3 LYS 656 -3.710 0.385 17.508 794 1HE LYS 656 HE2 LYS 656 -1.721 -0.671 16.732 795 2HE LYS 656 HE3 LYS 656 -1.293 0.698 15.707 796 1HZ LYS 656 HZ1 LYS 656 0.005 0.729 17.738 797 2HZ LYS 656 HZ2 LYS 656 -1.007 2.037 17.701 798 3HZ LYS 656 HZ3 LYS 656 -1.349 0.753 18.670 799 H ILE 657 H ILE 657 -2.682 3.911 12.396 800 HA ILE 657 HA ILE 657 -4.053 3.562 9.899 801 HB ILE 657 HB ILE 657 -1.958 5.569 10.787 802 1HG1 ILE 657 HG12 ILE 657 -4.932 5.410 10.777 803 2HG1 ILE 657 HG13 ILE 657 -3.826 6.247 11.863 804 1HG2 ILE 657 HG21 ILE 657 -2.298 6.852 8.723 805 2HG2 ILE 657 HG22 ILE 657 -1.590 5.305 8.394 806 3HG2 ILE 657 HG23 ILE 657 -3.315 5.545 8.076 807 1HD1 ILE 657 HD11 ILE 657 -3.565 8.022 10.071 808 2HD1 ILE 657 HD12 ILE 657 -4.872 7.229 9.187 809 3HD1 ILE 657 HD13 ILE 657 -5.177 7.902 10.791 810 H TYR 658 H TYR 658 -0.505 3.508 10.535 811 HA TYR 658 HA TYR 658 0.345 2.758 7.984 812 1HB TYR 658 HB2 TYR 658 1.834 3.505 9.728 813 2HB TYR 658 HB3 TYR 658 1.475 2.102 10.715 814 HD1 TYR 658 HD1 TYR 658 2.812 0.158 10.566 815 HD2 TYR 658 HD2 TYR 658 2.939 3.061 7.363 816 HE1 TYR 658 HE1 TYR 658 4.836 -0.943 9.639 817 HE2 TYR 658 HE2 TYR 658 4.916 1.946 6.441 818 HH TYR 658 HH TYR 658 6.460 -0.890 8.018 819 H LYS 659 H LYS 659 -0.317 0.470 10.693 820 HA LYS 659 HA LYS 659 0.074 -1.918 9.297 821 1HB LYS 659 HB2 LYS 659 -0.193 -1.798 11.695 822 2HB LYS 659 HB3 LYS 659 -1.877 -1.309 11.565 823 1HG LYS 659 HG2 LYS 659 -0.966 -3.913 10.314 824 2HG LYS 659 HG3 LYS 659 -1.171 -3.805 12.070 825 1HD LYS 659 HD2 LYS 659 -3.553 -2.922 11.555 826 2HD LYS 659 HD3 LYS 659 -3.318 -3.585 9.933 827 1HE LYS 659 HE2 LYS 659 -3.030 -5.171 12.518 828 2HE LYS 659 HE3 LYS 659 -4.517 -5.074 11.574 829 1HZ LYS 659 HZ1 LYS 659 -1.975 -6.187 10.525 830 2HZ LYS 659 HZ2 LYS 659 -3.255 -7.060 11.052 831 3HZ LYS 659 HZ3 LYS 659 -3.402 -6.126 9.722 832 H ILE 660 H ILE 660 -3.150 -0.337 9.695 833 HA ILE 660 HA ILE 660 -4.495 -2.307 8.077 834 HB ILE 660 HB ILE 660 -5.359 0.510 8.788 835 1HG1 ILE 660 HG12 ILE 660 -6.102 -2.182 10.053 836 2HG1 ILE 660 HG13 ILE 660 -4.885 -1.097 10.714 837 1HG2 ILE 660 HG21 ILE 660 -6.664 -0.265 6.864 838 2HG2 ILE 660 HG22 ILE 660 -6.900 -1.860 7.599 839 3HG2 ILE 660 HG23 ILE 660 -7.680 -0.434 8.282 840 1HD1 ILE 660 HD11 ILE 660 -6.826 -0.685 11.959 841 2HD1 ILE 660 HD12 ILE 660 -6.625 0.704 10.889 842 3HD1 ILE 660 HD13 ILE 660 -7.846 -0.552 10.522 843 H GLN 661 H GLN 661 -2.953 0.796 7.258 844 HA GLN 661 HA GLN 661 -4.077 0.951 4.609 845 1HB GLN 661 HB2 GLN 661 -3.161 2.881 5.952 846 2HB GLN 661 HB3 GLN 661 -1.544 2.241 5.653 847 1HG GLN 661 HG2 GLN 661 -1.815 3.916 4.016 848 2HG GLN 661 HG3 GLN 661 -2.099 2.425 3.141 849 1HE2 GLN 661 HE22 GLN 661 -3.516 3.158 1.549 850 2HE2 GLN 661 HE21 GLN 661 -5.065 3.941 1.914 851 H LYS 662 H LYS 662 -0.664 0.083 5.610 852 HA LYS 662 HA LYS 662 -0.033 -0.614 2.862 853 1HB LYS 662 HB2 LYS 662 2.113 -1.256 3.546 854 2HB LYS 662 HB3 LYS 662 1.702 0.253 4.340 855 1HG LYS 662 HG2 LYS 662 1.525 -0.761 6.466 856 2HG LYS 662 HG3 LYS 662 1.417 -2.392 5.834 857 1HD LYS 662 HD2 LYS 662 3.866 -0.602 5.613 858 2HD LYS 662 HD3 LYS 662 3.589 -1.794 6.900 859 1HE LYS 662 HE2 LYS 662 3.446 -3.588 5.145 860 2HE LYS 662 HE3 LYS 662 3.890 -2.385 3.926 861 1HZ LYS 662 HZ1 LYS 662 5.559 -3.169 6.258 862 2HZ LYS 662 HZ2 LYS 662 5.845 -3.584 4.709 863 3HZ LYS 662 HZ3 LYS 662 5.974 -2.020 5.176 864 H GLU 663 H GLU 663 -1.363 -2.487 5.471 865 HA GLU 663 HA GLU 663 -0.962 -5.091 4.253 866 1HB GLU 663 HB2 GLU 663 -1.464 -4.790 6.614 867 2HB GLU 663 HB3 GLU 663 -3.039 -4.068 6.230 868 1HG GLU 663 HG2 GLU 663 -3.895 -6.150 5.411 869 2HG GLU 663 HG3 GLU 663 -2.283 -6.882 5.375 870 H LEU 664 H LEU 664 -3.891 -2.898 4.288 871 HA LEU 664 HA LEU 664 -5.349 -4.513 2.442 872 1HB LEU 664 HB2 LEU 664 -5.577 -1.708 3.495 873 2HB LEU 664 HB3 LEU 664 -6.460 -2.105 2.038 874 HG LEU 664 HG LEU 664 -7.693 -3.867 3.073 875 1HD1 LEU 664 HD11 LEU 664 -7.640 -4.357 5.479 876 2HD1 LEU 664 HD12 LEU 664 -6.114 -4.816 4.710 877 3HD1 LEU 664 HD13 LEU 664 -6.214 -3.327 5.677 878 1HD2 LEU 664 HD21 LEU 664 -7.600 -1.382 4.828 879 2HD2 LEU 664 HD22 LEU 664 -8.537 -1.585 3.330 880 3HD2 LEU 664 HD23 LEU 664 -8.914 -2.567 4.761 881 H GLU 665 H GLU 665 -3.093 -1.787 1.773 882 HA GLU 665 HA GLU 665 -3.511 -1.831 -1.065 883 1HB GLU 665 HB2 GLU 665 -1.314 -0.780 0.740 884 2HB GLU 665 HB3 GLU 665 -1.171 -0.727 -1.015 885 1HG GLU 665 HG2 GLU 665 -3.367 0.461 -1.166 886 2HG GLU 665 HG3 GLU 665 -3.431 0.516 0.598 887 H GLU 666 H GLU 666 -2.286 -4.423 0.671 888 HA GLU 666 HA GLU 666 -1.067 -5.509 -1.836 889 1HB GLU 666 HB2 GLU 666 -0.340 -5.902 1.095 890 2HB GLU 666 HB3 GLU 666 0.137 -7.020 -0.178 891 1HG GLU 666 HG2 GLU 666 1.315 -5.209 -1.377 892 2HG GLU 666 HG3 GLU 666 0.797 -4.040 -0.164 893 H LYS 667 H LYS 667 -2.979 -6.275 1.068 894 HA LYS 667 HA LYS 667 -3.964 -8.834 0.166 895 1HB LYS 667 HB2 LYS 667 -5.054 -6.844 2.208 896 2HB LYS 667 HB3 LYS 667 -5.677 -8.472 1.983 897 1HG LYS 667 HG2 LYS 667 -2.878 -7.760 2.946 898 2HG LYS 667 HG3 LYS 667 -4.217 -8.406 3.896 899 1HD LYS 667 HD2 LYS 667 -4.166 -10.453 2.352 900 2HD LYS 667 HD3 LYS 667 -2.640 -9.813 1.704 901 1HE LYS 667 HE2 LYS 667 -1.677 -9.797 3.999 902 2HE LYS 667 HE3 LYS 667 -3.190 -10.456 4.633 903 1HZ LYS 667 HZ1 LYS 667 -1.403 -11.825 2.690 904 2HZ LYS 667 HZ2 LYS 667 -1.590 -12.226 4.260 905 3HZ LYS 667 HZ3 LYS 667 -2.828 -12.426 3.218 906 H ARG 668 H ARG 668 -4.840 -5.736 -0.974 907 HA ARG 668 HA ARG 668 -7.323 -6.852 -2.257 908 1HB ARG 668 HB2 ARG 668 -6.542 -3.957 -1.759 909 2HB ARG 668 HB3 ARG 668 -8.013 -4.486 -2.527 910 1HG ARG 668 HG2 ARG 668 -7.313 -5.098 0.377 911 2HG ARG 668 HG3 ARG 668 -8.300 -3.761 -0.183 912 1HD ARG 668 HD2 ARG 668 -9.800 -5.414 0.564 913 2HD ARG 668 HD3 ARG 668 -9.908 -5.396 -1.201 914 HE ARG 668 HE ARG 668 -8.014 -7.357 -0.128 915 1HH1 ARG 668 HH21 ARG 668 -11.451 -7.095 -0.938 916 2HH1 ARG 668 HH22 ARG 668 -11.495 -8.776 -1.393 917 1HH2 ARG 668 HH11 ARG 668 -8.179 -9.373 -0.690 918 2HH2 ARG 668 HH12 ARG 668 -9.715 -10.075 -1.148 919 H ARG 669 H ARG 669 -4.203 -6.606 -3.103 920 HA ARG 669 HA ARG 669 -5.034 -6.570 -5.974 921 1HB ARG 669 HB2 ARG 669 -3.016 -5.458 -6.669 922 2HB ARG 669 HB3 ARG 669 -3.934 -4.443 -5.565 923 1HG ARG 669 HG2 ARG 669 -2.403 -4.904 -3.740 924 2HG ARG 669 HG3 ARG 669 -1.516 -6.102 -4.707 925 1HD ARG 669 HD2 ARG 669 -0.821 -4.379 -6.295 926 2HD ARG 669 HD3 ARG 669 -1.799 -3.166 -5.463 927 HE ARG 669 HE ARG 669 -0.380 -3.421 -3.478 928 1HH1 ARG 669 HH11 ARG 669 1.107 -4.457 -6.493 929 2HH1 ARG 669 HH12 ARG 669 2.717 -4.175 -5.889 930 1HH2 ARG 669 HH21 ARG 669 1.668 -3.088 -2.796 931 2HH2 ARG 669 HH22 ARG 669 3.023 -3.420 -3.842 932 H SER 670 H SER 670 -4.569 -8.707 -3.955 933 HA SER 670 HA SER 670 -3.263 -10.509 -5.895 934 1HB SER 670 HB2 SER 670 -1.470 -9.976 -4.292 935 2HB SER 670 HB3 SER 670 -2.512 -10.482 -2.946 936 HG SER 670 HG SER 670 -1.121 -12.173 -3.643 937 H ARG 671 H ARG 671 -4.637 -12.072 -6.299 938 HA ARG 671 HA ARG 671 -7.044 -12.557 -4.733 939 1HB ARG 671 HB2 ARG 671 -6.783 -12.600 -7.269 940 2HB ARG 671 HB3 ARG 671 -5.943 -14.146 -7.090 941 1HG ARG 671 HG2 ARG 671 -7.990 -15.142 -6.097 942 2HG ARG 671 HG3 ARG 671 -8.787 -13.563 -6.139 943 1HD ARG 671 HD2 ARG 671 -9.585 -14.894 -7.997 944 2HD ARG 671 HD3 ARG 671 -8.636 -13.546 -8.608 945 HE ARG 671 HE ARG 671 -7.022 -15.007 -9.424 946 1HH1 ARG 671 HH12 ARG 671 -9.210 -16.913 -7.450 947 2HH1 ARG 671 HH11 ARG 671 -8.568 -18.421 -8.046 948 1HH2 ARG 671 HH21 ARG 671 -6.259 -16.961 -10.132 949 2HH2 ARG 671 HH22 ARG 671 -6.948 -18.438 -9.527 950 H LEU 672 H LEU 672 -3.914 -14.003 -4.758 951 HA LEU 672 HA LEU 672 -4.447 -16.695 -4.063 952 1HB LEU 672 HB2 LEU 672 -2.029 -14.904 -3.555 953 2HB LEU 672 HB3 LEU 672 -2.057 -16.613 -3.201 954 HG LEU 672 HG LEU 672 -0.853 -16.266 -5.203 955 1HD1 LEU 672 HD11 LEU 672 -3.537 -17.474 -5.967 956 2HD1 LEU 672 HD12 LEU 672 -1.964 -17.783 -6.726 957 3HD1 LEU 672 HD13 LEU 672 -2.255 -18.307 -5.058 958 1HD2 LEU 672 HD21 LEU 672 -1.681 -15.339 -7.239 959 2HD2 LEU 672 HD22 LEU 672 -3.301 -15.100 -6.571 960 3HD2 LEU 672 HD23 LEU 672 -1.926 -14.142 -5.960 961 1H SER 839 H1 SER 839 6.305 -8.302 13.722 962 2H SER 839 H2 SER 839 5.888 -9.770 14.319 963 3H SER 839 H3 SER 839 4.840 -8.507 14.417 964 HA SER 839 HA SER 839 7.441 -8.626 15.768 965 1HB SER 839 HB2 SER 839 6.589 -6.647 17.035 966 2HB SER 839 HB3 SER 839 6.869 -6.349 15.312 967 HG SER 839 HG SER 839 4.863 -5.496 15.954 968 H ASP 840 H ASP 840 4.321 -7.895 17.257 969 HA ASP 840 HA ASP 840 4.151 -10.587 18.524 970 1HB ASP 840 HB2 ASP 840 5.700 -9.043 19.840 971 2HB ASP 840 HB3 ASP 840 4.305 -8.009 20.136 972 H ALA 841 H ALA 841 2.483 -8.391 16.836 973 HA ALA 841 HA ALA 841 -0.138 -9.121 17.945 974 1HB ALA 841 HB1 ALA 841 0.785 -6.215 17.714 975 2HB ALA 841 HB2 ALA 841 -0.862 -6.749 18.118 976 3HB ALA 841 HB3 ALA 841 0.471 -7.093 19.229 977 H GLY 842 H GLY 842 -1.899 -8.084 16.555 978 1HA GLY 842 HA2 GLY 842 -1.510 -7.161 13.914 979 2HA GLY 842 HA3 GLY 842 -1.592 -8.924 13.818 980 H ASN 843 H ASN 843 -3.522 -8.837 16.193 981 HA ASN 843 HA ASN 843 -6.008 -8.963 14.867 982 1HB ASN 843 HB2 ASN 843 -6.842 -9.444 17.122 983 2HB ASN 843 HB3 ASN 843 -5.330 -10.283 16.838 984 1HD2 ASN 843 HD22 ASN 843 -6.972 -8.170 18.980 985 2HD2 ASN 843 HD21 ASN 843 -5.572 -7.764 19.964 986 H ILE 844 H ILE 844 -4.743 -6.160 14.823 987 HA ILE 844 HA ILE 844 -6.331 -4.305 16.314 988 HB ILE 844 HB ILE 844 -4.614 -4.202 13.840 989 1HG1 ILE 844 HG12 ILE 844 -3.502 -4.341 16.033 990 2HG1 ILE 844 HG13 ILE 844 -3.112 -2.873 15.154 991 1HG2 ILE 844 HG21 ILE 844 -4.740 -1.755 13.714 992 2HG2 ILE 844 HG22 ILE 844 -6.243 -2.535 13.258 993 3HG2 ILE 844 HG23 ILE 844 -6.106 -1.759 14.851 994 1HD1 ILE 844 HD11 ILE 844 -4.989 -3.098 17.549 995 2HD1 ILE 844 HD12 ILE 844 -3.406 -2.307 17.476 996 3HD1 ILE 844 HD13 ILE 844 -4.773 -1.617 16.595 997 H LEU 845 H LEU 845 -7.132 -6.058 13.402 998 HA LEU 845 HA LEU 845 -9.532 -4.330 12.889 999 1HB LEU 845 HB2 LEU 845 -7.786 -3.998 11.275 1000 2HB LEU 845 HB3 LEU 845 -7.576 -5.729 11.055 1001 HG LEU 845 HG LEU 845 -9.760 -5.882 9.939 1002 1HD1 LEU 845 HD11 LEU 845 -9.854 -2.849 10.170 1003 2HD1 LEU 845 HD12 LEU 845 -10.902 -3.831 9.123 1004 3HD1 LEU 845 HD13 LEU 845 -10.997 -3.998 10.897 1005 1HD2 LEU 845 HD21 LEU 845 -7.688 -5.488 8.654 1006 2HD2 LEU 845 HD22 LEU 845 -9.088 -4.736 7.874 1007 3HD2 LEU 845 HD23 LEU 845 -7.940 -3.737 8.789 1008 HA PRO 846 HA PRO 846 -11.331 -8.366 14.336 1009 1HB PRO 846 HB2 PRO 846 -13.624 -6.371 14.146 1010 2HB PRO 846 HB3 PRO 846 -13.409 -7.712 15.333 1011 1HG PRO 846 HG2 PRO 846 -12.793 -5.215 16.042 1012 2HG PRO 846 HG3 PRO 846 -11.565 -6.496 16.356 1013 1HD PRO 846 HD2 PRO 846 -11.762 -4.616 13.975 1014 2HD PRO 846 HD3 PRO 846 -10.363 -4.923 15.047 1015 H SER 847 H SER 847 -12.285 -9.963 13.095 1016 HA SER 847 HA SER 847 -12.270 -9.792 10.349 1017 1HB SER 847 HB2 SER 847 -13.922 -11.760 11.961 1018 2HB SER 847 HB3 SER 847 -13.290 -11.983 10.317 1019 HG SER 847 HG SER 847 -11.949 -12.984 11.894 1020 H ASP 848 H ASP 848 -15.127 -9.234 12.402 1021 HA ASP 848 HA ASP 848 -17.054 -9.252 10.244 1022 1HB ASP 848 HB2 ASP 848 -17.533 -9.617 12.689 1023 2HB ASP 848 HB3 ASP 848 -17.213 -7.905 12.974 1024 H ILE 849 H ILE 849 -15.131 -6.652 11.761 1025 HA ILE 849 HA ILE 849 -16.294 -4.521 10.096 1026 HB ILE 849 HB ILE 849 -13.984 -4.657 12.072 1027 1HG1 ILE 849 HG12 ILE 849 -15.177 -2.840 13.162 1028 2HG1 ILE 849 HG13 ILE 849 -16.344 -2.721 11.849 1029 1HG2 ILE 849 HG21 ILE 849 -14.603 -2.329 10.213 1030 2HG2 ILE 849 HG22 ILE 849 -13.499 -2.280 11.605 1031 3HG2 ILE 849 HG23 ILE 849 -13.112 -3.283 10.215 1032 1HD1 ILE 849 HD11 ILE 849 -17.261 -3.752 13.892 1033 2HD1 ILE 849 HD12 ILE 849 -17.360 -4.839 12.505 1034 3HD1 ILE 849 HD13 ILE 849 -16.098 -5.092 13.744 1035 H MET 850 H MET 850 -13.347 -6.555 10.062 1036 HA MET 850 HA MET 850 -12.004 -5.514 7.869 1037 1HB MET 850 HB2 MET 850 -11.222 -7.380 9.379 1038 2HB MET 850 HB3 MET 850 -12.293 -8.474 8.514 1039 1HG MET 850 HG2 MET 850 -11.126 -7.972 6.403 1040 2HG MET 850 HG3 MET 850 -9.988 -6.939 7.243 1041 1HE MET 850 HE1 MET 850 -7.930 -9.575 9.337 1042 2HE MET 850 HE2 MET 850 -8.224 -7.854 9.004 1043 3HE MET 850 HE3 MET 850 -9.398 -8.797 9.958 1044 H ASP 851 H ASP 851 -14.508 -8.132 7.685 1045 HA ASP 851 HA ASP 851 -14.373 -8.473 4.907 1046 1HB ASP 851 HB2 ASP 851 -15.467 -10.007 6.488 1047 2HB ASP 851 HB3 ASP 851 -16.772 -8.844 6.745 1048 H PHE 852 H PHE 852 -16.355 -6.079 6.676 1049 HA PHE 852 HA PHE 852 -17.772 -5.084 4.361 1050 1HB PHE 852 HB2 PHE 852 -18.534 -4.725 6.674 1051 2HB PHE 852 HB3 PHE 852 -17.095 -3.780 7.028 1052 HD1 PHE 852 HD1 PHE 852 -17.127 -1.429 6.729 1053 HD2 PHE 852 HD2 PHE 852 -20.096 -3.860 4.755 1054 HE1 PHE 852 HE1 PHE 852 -18.332 0.618 6.011 1055 HE2 PHE 852 HE2 PHE 852 -21.291 -1.804 4.030 1056 HZ PHE 852 HZ PHE 852 -20.413 0.436 4.662 1057 H VAL 853 H VAL 853 -14.607 -4.212 5.836 1058 HA VAL 853 HA VAL 853 -14.102 -2.050 3.956 1059 HB VAL 853 HB VAL 853 -11.988 -3.647 5.514 1060 1HG1 VAL 853 HG11 VAL 853 -12.023 -0.883 4.171 1061 2HG1 VAL 853 HG12 VAL 853 -10.735 -1.487 5.217 1062 3HG1 VAL 853 HG13 VAL 853 -11.057 -2.282 3.666 1063 1HG2 VAL 853 HG21 VAL 853 -12.032 -1.765 7.083 1064 2HG2 VAL 853 HG22 VAL 853 -13.496 -1.133 6.275 1065 3HG2 VAL 853 HG23 VAL 853 -13.527 -2.691 7.116 1066 H LEU 854 H LEU 854 -13.113 -5.526 4.004 1067 HA LEU 854 HA LEU 854 -11.586 -5.406 1.637 1068 1HB LEU 854 HB2 LEU 854 -13.110 -7.846 2.627 1069 2HB LEU 854 HB3 LEU 854 -11.771 -7.829 1.500 1070 HG LEU 854 HG LEU 854 -11.740 -7.467 4.460 1071 1HD1 LEU 854 HD11 LEU 854 -10.064 -9.225 4.361 1072 2HD1 LEU 854 HD12 LEU 854 -11.529 -9.710 3.492 1073 3HD1 LEU 854 HD13 LEU 854 -10.091 -9.182 2.585 1074 1HD2 LEU 854 HD21 LEU 854 -10.307 -5.613 3.688 1075 2HD2 LEU 854 HD22 LEU 854 -9.380 -6.892 4.469 1076 3HD2 LEU 854 HD23 LEU 854 -9.378 -6.760 2.688 1077 H LYS 855 H LYS 855 -15.080 -5.904 1.922 1078 HA LYS 855 HA LYS 855 -15.575 -6.538 -0.877 1079 1HB LYS 855 HB2 LYS 855 -17.240 -5.635 1.487 1080 2HB LYS 855 HB3 LYS 855 -17.940 -5.653 -0.131 1081 1HG LYS 855 HG2 LYS 855 -17.452 -8.022 -0.417 1082 2HG LYS 855 HG3 LYS 855 -16.607 -8.077 1.147 1083 1HD LYS 855 HD2 LYS 855 -18.668 -7.605 2.325 1084 2HD LYS 855 HD3 LYS 855 -19.519 -7.247 0.812 1085 1HE LYS 855 HE2 LYS 855 -20.209 -9.419 1.411 1086 2HE LYS 855 HE3 LYS 855 -19.107 -9.607 0.051 1087 1HZ LYS 855 HZ1 LYS 855 -18.347 -9.989 2.910 1088 2HZ LYS 855 HZ2 LYS 855 -18.660 -11.208 1.858 1089 3HZ LYS 855 HZ3 LYS 855 -17.364 -10.237 1.641 1090 H ASN 856 H ASN 856 -15.544 -3.498 0.957 1091 HA ASN 856 HA ASN 856 -16.689 -1.959 -1.236 1092 1HB ASN 856 HB2 ASN 856 -15.722 -1.341 1.557 1093 2HB ASN 856 HB3 ASN 856 -16.035 -0.075 0.377 1094 1HD2 ASN 856 HD22 ASN 856 -17.559 -2.219 2.596 1095 2HD2 ASN 856 HD21 ASN 856 -19.201 -1.740 2.181 1096 H THR 857 H THR 857 -13.329 -2.179 0.125 1097 HA THR 857 HA THR 857 -12.520 0.137 -1.332 1098 HB THR 857 HB THR 857 -10.231 -0.405 -0.595 1099 HG1 THR 857 HG1 THR 857 -10.035 -2.139 0.868 1100 1HG2 THR 857 HG21 THR 857 -12.427 -0.582 1.527 1101 2HG2 THR 857 HG22 THR 857 -10.730 -0.126 1.810 1102 3HG2 THR 857 HG23 THR 857 -11.775 0.891 0.799 1103 HA PRO 858 HA PRO 858 -10.212 -2.398 -4.532 1104 1HB PRO 858 HB2 PRO 858 -10.778 -4.966 -5.169 1105 2HB PRO 858 HB3 PRO 858 -9.845 -4.545 -3.708 1106 1HG PRO 858 HG2 PRO 858 -12.804 -5.181 -3.895 1107 2HG PRO 858 HG3 PRO 858 -11.599 -5.846 -2.761 1108 1HD PRO 858 HD2 PRO 858 -13.251 -3.741 -2.148 1109 2HD PRO 858 HD3 PRO 858 -11.612 -3.897 -1.460 1110 H SER 859 H SER 859 -13.684 -3.152 -4.481 1111 HA SER 859 HA SER 859 -14.110 -2.264 -7.260 1112 1HB SER 859 HB2 SER 859 -15.005 -4.524 -7.920 1113 2HB SER 859 HB3 SER 859 -13.267 -4.475 -7.650 1114 HG SER 859 HG SER 859 -14.123 -6.293 -6.677 1115 H MET 860 H MET 860 -15.091 -1.245 -4.883 1116 HA MET 860 HA MET 860 -16.873 -1.501 -3.307 1117 1HB MET 860 HB2 MET 860 -18.270 0.439 -3.921 1118 2HB MET 860 HB3 MET 860 -16.537 0.691 -4.064 1119 1HG MET 860 HG2 MET 860 -16.696 0.351 -6.539 1120 2HG MET 860 HG3 MET 860 -18.437 0.158 -6.376 1121 1HE MET 860 HE1 MET 860 -16.047 4.103 -6.033 1122 2HE MET 860 HE2 MET 860 -15.705 2.744 -4.943 1123 3HE MET 860 HE3 MET 860 -15.441 2.568 -6.691 1124 H GLN 861 H GLN 861 -17.464 -3.675 -3.533 1125 HA GLN 861 HA GLN 861 -19.565 -4.615 -5.218 1126 1HB GLN 861 HB2 GLN 861 -18.365 -5.755 -2.662 1127 2HB GLN 861 HB3 GLN 861 -19.416 -6.635 -3.780 1128 1HG GLN 861 HG2 GLN 861 -17.757 -6.462 -5.571 1129 2HG GLN 861 HG3 GLN 861 -16.745 -5.407 -4.591 1130 1HE2 GLN 861 HE22 GLN 861 -14.914 -6.705 -4.586 1131 2HE2 GLN 861 HE21 GLN 861 -14.876 -8.261 -3.749 1132 H ALA 862 H ALA 862 -21.416 -3.358 -5.024 1133 HA ALA 862 HA ALA 862 -22.671 -2.516 -2.660 1134 1HB ALA 862 HB1 ALA 862 -23.908 -3.154 -5.373 1135 2HB ALA 862 HB2 ALA 862 -24.633 -2.140 -4.108 1136 3HB ALA 862 HB3 ALA 862 -23.138 -1.618 -4.906 1137 H LEU 863 H LEU 863 -24.443 -3.204 -1.483 1138 HA LEU 863 HA LEU 863 -25.507 -5.943 -1.700 1139 1HB LEU 863 HB2 LEU 863 -23.341 -6.210 -0.524 1140 2HB LEU 863 HB3 LEU 863 -23.773 -4.931 0.605 1141 HG LEU 863 HG LEU 863 -25.586 -6.341 1.529 1142 1HD1 LEU 863 HD11 LEU 863 -24.493 -8.491 -0.337 1143 2HD1 LEU 863 HD12 LEU 863 -25.660 -8.760 0.973 1144 3HD1 LEU 863 HD13 LEU 863 -26.113 -7.773 -0.421 1145 1HD2 LEU 863 HD21 LEU 863 -24.155 -7.926 2.699 1146 2HD2 LEU 863 HD22 LEU 863 -22.891 -7.747 1.459 1147 3HD2 LEU 863 HD23 LEU 863 -23.320 -6.378 2.511 1148 H GLY 864 H GLY 864 -27.595 -6.018 -0.866 1149 1HA GLY 864 HA2 GLY 864 -28.833 -3.643 0.156 1150 2HA GLY 864 HA3 GLY 864 -29.589 -5.210 -0.089 1151 H GLU 865 H GLU 865 -27.751 -6.676 1.594 1152 HA GLU 865 HA GLU 865 -29.156 -6.392 4.104 1153 1HB GLU 865 HB2 GLU 865 -28.614 -8.520 2.897 1154 2HB GLU 865 HB3 GLU 865 -26.909 -8.265 3.243 1155 1HG GLU 865 HG2 GLU 865 -27.921 -9.942 4.705 1156 2HG GLU 865 HG3 GLU 865 -27.298 -8.595 5.629 1157 H SER 866 H SER 866 -28.118 -6.506 6.229 1158 HA SER 866 HA SER 866 -25.479 -5.107 6.482 1159 1HB SER 866 HB2 SER 866 -27.924 -4.874 8.272 1160 2HB SER 866 HB3 SER 866 -26.306 -4.293 8.695 1161 HG SER 866 HG SER 866 -27.554 -2.637 7.874 1162 HA PRO 867 HA PRO 867 -24.260 -8.750 8.892 1163 1HB PRO 867 HB2 PRO 867 -22.670 -6.687 10.424 1164 2HB PRO 867 HB3 PRO 867 -22.155 -8.295 9.825 1165 1HG PRO 867 HG2 PRO 867 -21.436 -6.060 8.481 1166 2HG PRO 867 HG3 PRO 867 -22.024 -7.493 7.575 1167 1HD PRO 867 HD2 PRO 867 -23.563 -5.000 8.344 1168 2HD PRO 867 HD3 PRO 867 -23.511 -5.865 6.776 1169 H GLU 868 H GLU 868 -25.183 -5.715 10.521 1170 HA GLU 868 HA GLU 868 -27.164 -7.084 12.160 1171 1HB GLU 868 HB2 GLU 868 -25.077 -7.218 13.549 1172 2HB GLU 868 HB3 GLU 868 -24.950 -5.456 13.501 1173 1HG GLU 868 HG2 GLU 868 -27.043 -5.229 14.743 1174 2HG GLU 868 HG3 GLU 868 -27.364 -6.959 14.604 1175 H SER 869 H SER 869 -28.790 -5.623 12.892 1176 HA SER 869 HA SER 869 -28.636 -2.749 12.342 1177 1HB SER 869 HB2 SER 869 -30.628 -2.757 10.873 1178 2HB SER 869 HB3 SER 869 -29.217 -3.530 10.139 1179 HG SER 869 HG SER 869 -31.141 -4.789 9.848 Start of MODEL 20 1 1H LYS 291 H1 LYS 291 9.316 1.939 -1.312 2 2H LYS 291 H2 LYS 291 9.684 3.451 -0.831 3 3H LYS 291 H3 LYS 291 10.457 2.167 -0.171 4 HA LYS 291 HA LYS 291 7.569 2.746 0.094 5 1HB LYS 291 HB2 LYS 291 9.251 0.538 1.340 6 2HB LYS 291 HB3 LYS 291 7.689 1.025 1.982 7 1HG LYS 291 HG2 LYS 291 8.142 -0.052 -0.826 8 2HG LYS 291 HG3 LYS 291 7.539 -0.962 0.558 9 1HD LYS 291 HD2 LYS 291 5.546 0.553 0.691 10 2HD LYS 291 HD3 LYS 291 6.135 1.411 -0.753 11 1HE LYS 291 HE2 LYS 291 6.175 -0.830 -1.940 12 2HE LYS 291 HE3 LYS 291 5.335 -1.527 -0.553 13 1HZ LYS 291 HZ1 LYS 291 4.269 0.743 -2.157 14 2HZ LYS 291 HZ2 LYS 291 3.841 -0.812 -2.382 15 3HZ LYS 291 HZ3 LYS 291 3.446 -0.077 -0.996 16 H GLU 292 H GLU 292 10.499 2.549 2.209 17 HA GLU 292 HA GLU 292 9.574 3.422 4.513 18 1HB GLU 292 HB2 GLU 292 11.944 2.839 3.833 19 2HB GLU 292 HB3 GLU 292 12.160 4.529 3.390 20 1HG GLU 292 HG2 GLU 292 13.069 4.225 5.579 21 2HG GLU 292 HG3 GLU 292 11.603 5.172 5.768 22 H LYS 293 H LYS 293 10.412 5.918 2.040 23 HA LYS 293 HA LYS 293 9.821 8.196 3.641 24 1HB LYS 293 HB2 LYS 293 10.985 8.147 1.425 25 2HB LYS 293 HB3 LYS 293 9.439 7.925 0.621 26 1HG LYS 293 HG2 LYS 293 10.034 10.284 2.466 27 2HG LYS 293 HG3 LYS 293 10.509 10.293 0.787 28 1HD LYS 293 HD2 LYS 293 7.610 10.088 1.727 29 2HD LYS 293 HD3 LYS 293 8.445 11.559 1.237 30 1HE LYS 293 HE2 LYS 293 8.960 10.494 -0.958 31 2HE LYS 293 HE3 LYS 293 7.950 9.110 -0.509 32 1HZ LYS 293 HZ1 LYS 293 6.063 10.675 -0.264 33 2HZ LYS 293 HZ2 LYS 293 6.993 11.918 -0.736 34 3HZ LYS 293 HZ3 LYS 293 6.663 10.716 -1.795 35 H ARG 294 H ARG 294 7.569 6.325 1.587 36 HA ARG 294 HA ARG 294 5.274 7.991 2.221 37 1HB ARG 294 HB2 ARG 294 5.368 6.725 0.154 38 2HB ARG 294 HB3 ARG 294 5.570 5.207 1.014 39 1HG ARG 294 HG2 ARG 294 3.328 5.475 0.053 40 2HG ARG 294 HG3 ARG 294 3.302 5.211 1.787 41 1HD ARG 294 HD2 ARG 294 1.621 6.876 1.020 42 2HD ARG 294 HD3 ARG 294 2.721 7.511 2.224 43 HE ARG 294 HE ARG 294 3.595 9.030 0.716 44 1HH1 ARG 294 HH11 ARG 294 1.668 6.811 -1.223 45 2HH1 ARG 294 HH12 ARG 294 1.717 7.891 -2.590 46 1HH2 ARG 294 HH21 ARG 294 3.574 10.271 -0.891 47 2HH2 ARG 294 HH22 ARG 294 2.791 9.867 -2.422 48 H ILE 295 H ILE 295 6.695 5.110 3.765 49 HA ILE 295 HA ILE 295 4.537 4.503 5.572 50 HB ILE 295 HB ILE 295 7.472 4.262 6.278 51 1HG1 ILE 295 HG12 ILE 295 7.270 3.186 4.149 52 2HG1 ILE 295 HG13 ILE 295 7.336 1.932 5.388 53 1HG2 ILE 295 HG21 ILE 295 6.627 2.363 7.646 54 2HG2 ILE 295 HG22 ILE 295 5.955 3.915 8.149 55 3HG2 ILE 295 HG23 ILE 295 4.964 2.796 7.196 56 1HD1 ILE 295 HD11 ILE 295 5.742 1.454 3.565 57 2HD1 ILE 295 HD12 ILE 295 4.972 1.575 5.160 58 3HD1 ILE 295 HD13 ILE 295 4.850 2.930 3.993 59 H LYS 296 H LYS 296 7.428 6.598 6.050 60 HA LYS 296 HA LYS 296 6.542 7.821 8.483 61 1HB LYS 296 HB2 LYS 296 8.888 7.781 7.730 62 2HB LYS 296 HB3 LYS 296 8.488 8.782 6.338 63 1HG LYS 296 HG2 LYS 296 9.589 10.095 8.044 64 2HG LYS 296 HG3 LYS 296 7.944 10.682 7.811 65 1HD LYS 296 HD2 LYS 296 7.215 9.468 9.858 66 2HD LYS 296 HD3 LYS 296 8.854 8.857 10.095 67 1HE LYS 296 HE2 LYS 296 8.042 11.805 10.062 68 2HE LYS 296 HE3 LYS 296 8.221 10.829 11.522 69 1HZ LYS 296 HZ1 LYS 296 10.572 10.493 10.929 70 2HZ LYS 296 HZ2 LYS 296 10.414 11.464 9.621 71 3HZ LYS 296 HZ3 LYS 296 10.234 12.076 11.120 72 H GLU 297 H GLU 297 6.177 8.904 5.106 73 HA GLU 297 HA GLU 297 4.918 11.403 5.545 74 1HB GLU 297 HB2 GLU 297 5.858 10.415 3.406 75 2HB GLU 297 HB3 GLU 297 4.407 9.423 3.303 76 1HG GLU 297 HG2 GLU 297 3.018 11.338 2.937 77 2HG GLU 297 HG3 GLU 297 4.331 12.414 3.441 78 H LEU 298 H LEU 298 3.250 8.247 4.966 79 HA LEU 298 HA LEU 298 0.652 9.389 5.444 80 1HB LEU 298 HB2 LEU 298 1.118 7.454 4.018 81 2HB LEU 298 HB3 LEU 298 1.572 6.487 5.413 82 HG LEU 298 HG LEU 298 -1.117 7.864 5.554 83 1HD1 LEU 298 HD11 LEU 298 -1.146 7.286 3.199 84 2HD1 LEU 298 HD12 LEU 298 -0.690 5.609 3.577 85 3HD1 LEU 298 HD13 LEU 298 -2.265 6.261 4.116 86 1HD2 LEU 298 HD21 LEU 298 -0.381 6.153 7.244 87 2HD2 LEU 298 HD22 LEU 298 -1.922 5.797 6.444 88 3HD2 LEU 298 HD23 LEU 298 -0.468 4.927 5.949 89 H GLU 299 H GLU 299 3.033 7.857 7.614 90 HA GLU 299 HA GLU 299 1.338 7.766 9.917 91 1HB GLU 299 HB2 GLU 299 3.561 6.623 9.609 92 2HB GLU 299 HB3 GLU 299 4.347 8.200 9.834 93 1HG GLU 299 HG2 GLU 299 3.175 8.321 12.089 94 2HG GLU 299 HG3 GLU 299 2.639 6.657 11.816 95 H LEU 300 H LEU 300 3.506 10.324 8.656 96 HA LEU 300 HA LEU 300 3.112 12.213 10.740 97 1HB LEU 300 HB2 LEU 300 5.022 12.096 9.133 98 2HB LEU 300 HB3 LEU 300 3.944 12.593 7.834 99 HG LEU 300 HG LEU 300 3.617 14.797 9.016 100 1HD1 LEU 300 HD11 LEU 300 5.247 15.424 10.768 101 2HD1 LEU 300 HD12 LEU 300 4.220 14.100 11.326 102 3HD1 LEU 300 HD13 LEU 300 5.878 13.761 10.795 103 1HD2 LEU 300 HD21 LEU 300 5.826 15.675 8.414 104 2HD2 LEU 300 HD22 LEU 300 6.494 14.026 8.380 105 3HD2 LEU 300 HD23 LEU 300 5.258 14.518 7.201 106 H LEU 301 H LEU 301 1.102 11.537 7.909 107 HA LEU 301 HA LEU 301 -0.284 13.942 7.563 108 1HB LEU 301 HB2 LEU 301 -1.336 11.084 7.490 109 2HB LEU 301 HB3 LEU 301 -2.288 12.465 6.987 110 HG LEU 301 HG LEU 301 0.294 11.582 5.643 111 1HD1 LEU 301 HD11 LEU 301 -1.715 10.058 5.375 112 2HD1 LEU 301 HD12 LEU 301 -2.615 11.423 4.710 113 3HD1 LEU 301 HD13 LEU 301 -1.181 10.805 3.860 114 1HD2 LEU 301 HD21 LEU 301 -0.010 13.990 5.357 115 2HD2 LEU 301 HD22 LEU 301 -0.410 13.157 3.854 116 3HD2 LEU 301 HD23 LEU 301 -1.715 13.751 4.903 117 H LEU 302 H LEU 302 -1.066 11.430 9.991 118 HA LEU 302 HA LEU 302 -3.316 12.789 11.167 119 1HB LEU 302 HB2 LEU 302 -1.406 10.594 12.038 120 2HB LEU 302 HB3 LEU 302 -2.636 11.169 13.153 121 HG LEU 302 HG LEU 302 -3.415 10.189 10.414 122 1HD1 LEU 302 HD11 LEU 302 -4.011 8.107 11.671 123 2HD1 LEU 302 HD12 LEU 302 -2.271 8.378 11.514 124 3HD1 LEU 302 HD13 LEU 302 -3.100 8.715 13.066 125 1HD2 LEU 302 HD21 LEU 302 -5.583 9.854 11.497 126 2HD2 LEU 302 HD22 LEU 302 -4.930 10.380 13.058 127 3HD2 LEU 302 HD23 LEU 302 -5.096 11.545 11.725 128 H MET 303 H MET 303 0.145 12.759 12.060 129 HA MET 303 HA MET 303 -0.020 14.350 14.401 130 1HB MET 303 HB2 MET 303 2.228 14.074 12.380 131 2HB MET 303 HB3 MET 303 2.404 14.789 13.984 132 1HG MET 303 HG2 MET 303 1.905 12.717 15.065 133 2HG MET 303 HG3 MET 303 1.430 11.946 13.546 134 1HE MET 303 HE1 MET 303 2.777 9.887 13.741 135 2HE MET 303 HE2 MET 303 4.498 9.798 14.178 136 3HE MET 303 HE3 MET 303 3.306 10.349 15.378 137 H SER 304 H SER 304 0.184 15.313 11.000 138 HA SER 304 HA SER 304 0.814 18.051 11.276 139 1HB SER 304 HB2 SER 304 0.793 16.584 9.202 140 2HB SER 304 HB3 SER 304 -0.961 16.826 9.137 141 HG SER 304 HG SER 304 0.249 18.333 7.847 142 H THR 305 H THR 305 -2.247 16.472 11.885 143 HA THR 305 HA THR 305 -4.176 18.375 11.272 144 HB THR 305 HB THR 305 -4.213 16.536 13.682 145 HG1 THR 305 HG1 THR 305 -3.957 15.154 12.180 146 1HG2 THR 305 HG21 THR 305 -6.130 18.070 13.652 147 2HG2 THR 305 HG22 THR 305 -6.433 17.691 11.944 148 3HG2 THR 305 HG23 THR 305 -6.652 16.453 13.206 149 H GLU 306 H GLU 306 -2.103 18.472 14.189 150 HA GLU 306 HA GLU 306 -3.646 20.353 15.631 151 1HB GLU 306 HB2 GLU 306 -0.610 20.055 15.594 152 2HB GLU 306 HB3 GLU 306 -1.552 20.947 16.793 153 1HG GLU 306 HG2 GLU 306 -2.799 18.752 17.261 154 2HG GLU 306 HG3 GLU 306 -1.549 17.961 16.285 155 H ASN 307 H ASN 307 -1.322 20.919 12.988 156 HA ASN 307 HA ASN 307 -1.319 23.841 13.259 157 1HB ASN 307 HB2 ASN 307 0.601 22.563 12.336 158 2HB ASN 307 HB3 ASN 307 -0.403 21.981 11.008 159 1HD2 ASN 307 HD22 ASN 307 -0.868 23.412 9.231 160 2HD2 ASN 307 HD21 ASN 307 -0.078 24.983 9.146 161 H GLU 308 H GLU 308 -2.949 21.433 11.178 162 HA GLU 308 HA GLU 308 -4.160 23.293 9.391 163 1HB GLU 308 HB2 GLU 308 -5.142 20.510 10.145 164 2HB GLU 308 HB3 GLU 308 -5.561 21.415 8.691 165 1HG GLU 308 HG2 GLU 308 -2.837 20.272 9.422 166 2HG GLU 308 HG3 GLU 308 -3.914 19.719 8.156 167 H LEU 309 H LEU 309 -5.334 22.002 12.479 168 HA LEU 309 HA LEU 309 -7.968 23.196 12.318 169 1HB LEU 309 HB2 LEU 309 -6.278 21.805 14.376 170 2HB LEU 309 HB3 LEU 309 -7.604 22.795 14.965 171 HG LEU 309 HG LEU 309 -9.265 21.542 13.843 172 1HD1 LEU 309 HD11 LEU 309 -8.285 21.058 11.658 173 2HD1 LEU 309 HD12 LEU 309 -7.071 20.001 12.406 174 3HD1 LEU 309 HD13 LEU 309 -8.791 19.557 12.430 175 1HD2 LEU 309 HD21 LEU 309 -8.904 19.292 14.758 176 2HD2 LEU 309 HD22 LEU 309 -7.162 19.624 14.909 177 3HD2 LEU 309 HD23 LEU 309 -8.335 20.531 15.896 178 H LYS 310 H LYS 310 -4.878 24.586 13.125 179 HA LYS 310 HA LYS 310 -6.121 27.052 14.255 180 1HB LYS 310 HB2 LYS 310 -3.239 26.324 13.579 181 2HB LYS 310 HB3 LYS 310 -3.743 27.878 14.237 182 1HG LYS 310 HG2 LYS 310 -4.004 25.177 15.627 183 2HG LYS 310 HG3 LYS 310 -2.808 26.432 15.961 184 1HD LYS 310 HD2 LYS 310 -4.724 27.990 16.563 185 2HD LYS 310 HD3 LYS 310 -5.817 26.592 16.431 186 1HE LYS 310 HE2 LYS 310 -4.499 25.386 18.141 187 2HE LYS 310 HE3 LYS 310 -3.383 26.753 18.261 188 1HZ LYS 310 HZ1 LYS 310 -5.246 28.122 19.038 189 2HZ LYS 310 HZ2 LYS 310 -6.276 26.856 18.939 190 3HZ LYS 310 HZ3 LYS 310 -5.051 26.834 20.018 191 H GLY 311 H GLY 311 -4.612 25.943 11.247 192 1HA GLY 311 HA2 GLY 311 -4.995 26.570 9.078 193 2HA GLY 311 HA3 GLY 311 -6.282 27.628 9.647 194 H GLN 312 H GLN 312 -4.492 29.306 11.266 195 HA GLN 312 HA GLN 312 -2.683 30.644 9.298 196 1HB GLN 312 HB2 GLN 312 -4.786 31.932 11.091 197 2HB GLN 312 HB3 GLN 312 -3.573 32.830 10.182 198 1HG GLN 312 HG2 GLN 312 -5.681 31.062 8.864 199 2HG GLN 312 HG3 GLN 312 -5.851 32.783 9.148 200 1HE2 GLN 312 HE22 GLN 312 -3.990 30.365 7.265 201 2HE2 GLN 312 HE21 GLN 312 -3.432 31.545 6.076 202 H GLN 313 H GLN 313 -1.973 28.779 11.274 203 HA GLN 313 HA GLN 313 -1.199 29.675 13.800 204 1HB GLN 313 HB2 GLN 313 -1.286 27.365 13.015 205 2HB GLN 313 HB3 GLN 313 0.082 27.621 11.949 206 1HG GLN 313 HG2 GLN 313 0.320 28.039 14.958 207 2HG GLN 313 HG3 GLN 313 0.402 26.430 14.246 208 1HE2 GLN 313 HE22 GLN 313 2.046 26.135 12.400 209 2HE2 GLN 313 HE21 GLN 313 3.588 26.962 12.644 210 H ALA 314 H ALA 314 0.183 31.144 14.503 211 HA ALA 314 HA ALA 314 2.801 31.601 13.227 212 1HB ALA 314 HB1 ALA 314 1.200 33.143 12.077 213 2HB ALA 314 HB2 ALA 314 0.773 33.848 13.652 214 3HB ALA 314 HB3 ALA 314 2.422 34.018 13.009 215 H LEU 315 H LEU 315 1.839 30.474 15.817 216 HA LEU 315 HA LEU 315 3.153 32.274 17.801 217 1HB LEU 315 HB2 LEU 315 0.435 30.928 18.104 218 2HB LEU 315 HB3 LEU 315 1.306 31.724 19.402 219 HG LEU 315 HG LEU 315 0.286 33.157 16.910 220 1HD1 LEU 315 HD11 LEU 315 -1.552 32.267 18.279 221 2HD1 LEU 315 HD12 LEU 315 -0.855 33.021 19.731 222 3HD1 LEU 315 HD13 LEU 315 -1.463 34.030 18.398 223 1HD2 LEU 315 HD21 LEU 315 1.364 34.216 19.565 224 2HD2 LEU 315 HD22 LEU 315 0.671 35.198 18.255 225 3HD2 LEU 315 HD23 LEU 315 2.184 34.323 17.992 226 1H GLY 586 H1 GLY 586 -1.212 14.989 43.091 227 2H GLY 586 H2 GLY 586 -2.343 14.672 41.947 228 3H GLY 586 H3 GLY 586 -1.560 16.109 41.945 229 1HA GLY 586 HA2 GLY 586 0.536 15.059 41.429 230 2HA GLY 586 HA3 GLY 586 -0.291 13.490 41.467 231 H VAL 587 H VAL 587 0.743 13.448 39.262 232 HA VAL 587 HA VAL 587 -1.182 14.393 37.180 233 HB VAL 587 HB VAL 587 1.855 14.631 36.982 234 1HG1 VAL 587 HG11 VAL 587 -0.338 15.283 34.961 235 2HG1 VAL 587 HG12 VAL 587 1.379 15.706 34.789 236 3HG1 VAL 587 HG13 VAL 587 0.906 14.011 34.808 237 1HG2 VAL 587 HG21 VAL 587 -0.309 16.778 37.080 238 2HG2 VAL 587 HG22 VAL 587 0.956 16.488 38.298 239 3HG2 VAL 587 HG23 VAL 587 1.402 17.066 36.695 240 H ARG 588 H ARG 588 -1.946 12.728 36.174 241 HA ARG 588 HA ARG 588 -0.696 10.095 36.414 242 1HB ARG 588 HB2 ARG 588 -2.866 9.286 35.785 243 2HB ARG 588 HB3 ARG 588 -3.027 10.505 37.037 244 1HG ARG 588 HG2 ARG 588 -3.713 12.178 35.311 245 2HG ARG 588 HG3 ARG 588 -3.547 10.940 34.056 246 1HD ARG 588 HD2 ARG 588 -5.278 9.569 35.203 247 2HD ARG 588 HD3 ARG 588 -5.461 10.854 36.416 248 HE ARG 588 HE ARG 588 -5.776 11.910 33.749 249 1HH1 ARG 588 HH22 ARG 588 -7.585 10.039 36.092 250 2HH1 ARG 588 HH21 ARG 588 -9.122 10.579 35.470 251 1HH2 ARG 588 HH12 ARG 588 -7.759 12.559 33.007 252 2HH2 ARG 588 HH11 ARG 588 -9.209 11.963 33.760 253 H LYS 589 H LYS 589 -0.984 12.365 33.836 254 HA LYS 589 HA LYS 589 0.248 10.432 31.904 255 1HB LYS 589 HB2 LYS 589 -2.264 12.086 31.406 256 2HB LYS 589 HB3 LYS 589 -1.292 11.398 30.113 257 1HG LYS 589 HG2 LYS 589 -2.705 9.757 32.253 258 2HG LYS 589 HG3 LYS 589 -3.307 10.088 30.647 259 1HD LYS 589 HD2 LYS 589 -0.777 9.038 30.086 260 2HD LYS 589 HD3 LYS 589 -1.232 8.166 31.549 261 1HE LYS 589 HE2 LYS 589 -2.043 6.822 29.778 262 2HE LYS 589 HE3 LYS 589 -3.475 7.654 30.394 263 1HZ LYS 589 HZ1 LYS 589 -3.138 9.301 28.553 264 2HZ LYS 589 HZ2 LYS 589 -1.886 8.416 28.001 265 3HZ LYS 589 HZ3 LYS 589 -3.398 7.802 27.955 266 H GLY 590 H GLY 590 -0.600 13.884 32.448 267 1HA GLY 590 HA2 GLY 590 0.879 15.666 32.422 268 2HA GLY 590 HA3 GLY 590 2.148 14.625 31.790 269 H TRP 591 H TRP 591 -0.598 14.438 29.779 270 HA TRP 591 HA TRP 591 0.192 16.774 28.080 271 1HB TRP 591 HB2 TRP 591 0.434 15.409 26.146 272 2HB TRP 591 HB3 TRP 591 1.486 14.770 27.397 273 HD1 TRP 591 HD1 TRP 591 1.009 12.330 28.272 274 HE1 TRP 591 HE1 TRP 591 -0.296 10.347 27.264 275 HE3 TRP 591 HE3 TRP 591 -1.870 14.878 24.874 276 HZ2 TRP 591 HZ2 TRP 591 -2.313 9.932 25.255 277 HZ3 TRP 591 HZ3 TRP 591 -3.446 13.646 23.401 278 HH2 TRP 591 HH2 TRP 591 -3.659 11.186 23.569 279 H HIS 592 H HIS 592 -2.401 14.852 29.259 280 HA HIS 592 HA HIS 592 -4.278 15.269 27.122 281 1HB HIS 592 HB2 HIS 592 -4.610 14.613 30.073 282 2HB HIS 592 HB3 HIS 592 -5.944 14.694 28.930 283 HD1 HIS 592 HD1 HIS 592 -6.651 12.327 28.360 284 HD2 HIS 592 HD2 HIS 592 -2.475 12.817 28.507 285 HE1 HIS 592 HE1 HIS 592 -5.644 10.062 27.797 286 H GLU 593 H GLU 593 -3.083 17.390 29.555 287 HA GLU 593 HA GLU 593 -5.214 19.076 30.144 288 1HB GLU 593 HB2 GLU 593 -3.514 20.626 30.905 289 2HB GLU 593 HB3 GLU 593 -3.103 18.978 31.358 290 1HG GLU 593 HG2 GLU 593 -1.464 18.854 29.497 291 2HG GLU 593 HG3 GLU 593 -1.903 20.484 28.987 292 H HIS 594 H HIS 594 -3.692 18.924 27.044 293 HA HIS 594 HA HIS 594 -5.140 21.433 26.288 294 1HB HIS 594 HB2 HIS 594 -3.411 22.181 24.954 295 2HB HIS 594 HB3 HIS 594 -2.617 21.661 26.430 296 HD1 HIS 594 HD1 HIS 594 -2.817 20.906 22.723 297 HD2 HIS 594 HD2 HIS 594 -1.021 19.400 26.217 298 HE1 HIS 594 HE1 HIS 594 -0.964 19.351 21.948 299 H VAL 595 H VAL 595 -5.503 18.248 25.927 300 HA VAL 595 HA VAL 595 -6.059 18.007 23.061 301 HB VAL 595 HB VAL 595 -7.044 16.385 25.451 302 1HG1 VAL 595 HG11 VAL 595 -7.238 15.791 22.458 303 2HG1 VAL 595 HG12 VAL 595 -7.584 14.633 23.759 304 3HG1 VAL 595 HG13 VAL 595 -8.600 16.060 23.574 305 1HG2 VAL 595 HG21 VAL 595 -4.882 15.798 23.374 306 2HG2 VAL 595 HG22 VAL 595 -4.577 16.251 25.060 307 3HG2 VAL 595 HG23 VAL 595 -5.388 14.724 24.698 308 H THR 596 H THR 596 -7.997 18.312 22.009 309 HA THR 596 HA THR 596 -10.218 19.732 23.432 310 HB THR 596 HB THR 596 -8.798 20.652 20.896 311 HG1 THR 596 HG1 THR 596 -7.628 21.133 22.756 312 1HG2 THR 596 HG21 THR 596 -11.140 21.319 20.758 313 2HG2 THR 596 HG22 THR 596 -11.111 21.906 22.440 314 3HG2 THR 596 HG23 THR 596 -10.168 22.725 21.178 315 H GLN 597 H GLN 597 -12.262 19.494 22.495 316 HA GLN 597 HA GLN 597 -12.845 17.045 21.284 317 1HB GLN 597 HB2 GLN 597 -14.358 18.502 22.638 318 2HB GLN 597 HB3 GLN 597 -14.554 19.563 21.232 319 1HG GLN 597 HG2 GLN 597 -15.524 17.671 19.948 320 2HG GLN 597 HG3 GLN 597 -15.302 16.598 21.332 321 1HE2 GLN 597 HE22 GLN 597 -17.826 17.315 19.926 322 2HE2 GLN 597 HE21 GLN 597 -18.844 18.035 21.167 323 H ASP 598 H ASP 598 -12.320 20.172 19.613 324 HA ASP 598 HA ASP 598 -13.117 19.348 16.996 325 1HB ASP 598 HB2 ASP 598 -11.047 21.382 17.925 326 2HB ASP 598 HB3 ASP 598 -11.549 21.179 16.247 327 H LEU 599 H LEU 599 -9.964 19.058 18.667 328 HA LEU 599 HA LEU 599 -8.539 17.877 16.453 329 1HB LEU 599 HB2 LEU 599 -7.507 18.991 18.490 330 2HB LEU 599 HB3 LEU 599 -8.015 17.593 19.444 331 HG LEU 599 HG LEU 599 -6.587 16.114 18.032 332 1HD1 LEU 599 HD11 LEU 599 -4.847 17.217 16.606 333 2HD1 LEU 599 HD12 LEU 599 -6.472 17.376 15.944 334 3HD1 LEU 599 HD13 LEU 599 -5.708 18.755 16.781 335 1HD2 LEU 599 HD21 LEU 599 -5.730 17.067 20.139 336 2HD2 LEU 599 HD22 LEU 599 -4.439 16.908 18.939 337 3HD2 LEU 599 HD23 LEU 599 -5.150 18.504 19.264 338 H ARG 600 H ARG 600 -10.110 16.487 19.350 339 HA ARG 600 HA ARG 600 -9.797 13.762 18.798 340 1HB ARG 600 HB2 ARG 600 -11.022 15.301 20.764 341 2HB ARG 600 HB3 ARG 600 -12.439 14.664 19.945 342 1HG ARG 600 HG2 ARG 600 -11.964 13.124 21.672 343 2HG ARG 600 HG3 ARG 600 -11.356 12.341 20.203 344 1HD ARG 600 HD2 ARG 600 -9.061 13.387 20.794 345 2HD ARG 600 HD3 ARG 600 -9.756 13.821 22.350 346 HE ARG 600 HE ARG 600 -9.163 11.078 21.345 347 1HH1 ARG 600 HH21 ARG 600 -10.336 12.918 24.098 348 2HH1 ARG 600 HH22 ARG 600 -10.554 11.476 25.048 349 1HH2 ARG 600 HH11 ARG 600 -9.741 9.367 22.443 350 2HH2 ARG 600 HH12 ARG 600 -10.083 9.476 24.170 351 H SER 601 H SER 601 -12.513 15.806 17.748 352 HA SER 601 HA SER 601 -13.987 13.837 16.319 353 1HB SER 601 HB2 SER 601 -13.721 16.820 15.754 354 2HB SER 601 HB3 SER 601 -14.999 15.756 15.132 355 HG SER 601 HG SER 601 -14.499 16.514 17.825 356 H HIS 602 H HIS 602 -11.590 16.226 15.068 357 HA HIS 602 HA HIS 602 -11.764 15.302 12.365 358 1HB HIS 602 HB2 HIS 602 -11.049 17.554 13.111 359 2HB HIS 602 HB3 HIS 602 -9.569 16.870 13.755 360 HD1 HIS 602 HD1 HIS 602 -10.929 18.414 10.689 361 HD2 HIS 602 HD2 HIS 602 -8.053 15.481 11.599 362 HE1 HIS 602 HE1 HIS 602 -9.452 18.193 8.624 363 H LEU 603 H LEU 603 -9.428 14.468 15.013 364 HA LEU 603 HA LEU 603 -7.813 12.740 13.396 365 1HB LEU 603 HB2 LEU 603 -8.367 12.785 16.390 366 2HB LEU 603 HB3 LEU 603 -7.308 11.618 15.638 367 HG LEU 603 HG LEU 603 -6.870 14.580 15.990 368 1HD1 LEU 603 HD11 LEU 603 -6.099 12.900 17.660 369 2HD1 LEU 603 HD12 LEU 603 -5.094 12.130 16.413 370 3HD1 LEU 603 HD13 LEU 603 -4.770 13.803 16.935 371 1HD2 LEU 603 HD21 LEU 603 -4.885 14.513 14.590 372 2HD2 LEU 603 HD22 LEU 603 -5.288 12.865 14.040 373 3HD2 LEU 603 HD23 LEU 603 -6.314 14.256 13.618 374 H VAL 604 H VAL 604 -10.768 11.925 15.314 375 HA VAL 604 HA VAL 604 -10.766 9.145 14.619 376 HB VAL 604 HB VAL 604 -13.009 11.073 15.289 377 1HG1 VAL 604 HG11 VAL 604 -14.498 9.157 15.572 378 2HG1 VAL 604 HG12 VAL 604 -14.028 9.290 13.891 379 3HG1 VAL 604 HG13 VAL 604 -13.262 8.053 14.917 380 1HG2 VAL 604 HG21 VAL 604 -11.379 10.400 17.089 381 2HG2 VAL 604 HG22 VAL 604 -13.030 9.861 17.408 382 3HG2 VAL 604 HG23 VAL 604 -11.816 8.706 16.808 383 H HIS 605 H HIS 605 -12.329 11.909 12.878 384 HA HIS 605 HA HIS 605 -13.314 10.369 10.708 385 1HB HIS 605 HB2 HIS 605 -13.986 12.682 11.193 386 2HB HIS 605 HB3 HIS 605 -12.372 13.263 10.790 387 HD1 HIS 605 HD1 HIS 605 -15.600 12.108 9.114 388 HD2 HIS 605 HD2 HIS 605 -11.699 13.367 8.158 389 HE1 HIS 605 HE1 HIS 605 -15.607 12.629 6.620 390 H LYS 606 H LYS 606 -10.147 11.918 11.118 391 HA LYS 606 HA LYS 606 -9.077 11.202 8.552 392 1HB LYS 606 HB2 LYS 606 -8.444 13.025 10.186 393 2HB LYS 606 HB3 LYS 606 -7.556 11.819 11.117 394 1HG LYS 606 HG2 LYS 606 -5.931 11.568 9.382 395 2HG LYS 606 HG3 LYS 606 -7.010 12.274 8.152 396 1HD LYS 606 HD2 LYS 606 -6.941 14.449 9.219 397 2HD LYS 606 HD3 LYS 606 -5.987 13.819 10.576 398 1HE LYS 606 HE2 LYS 606 -4.102 13.404 9.119 399 2HE LYS 606 HE3 LYS 606 -5.038 13.855 7.678 400 1HZ LYS 606 HZ1 LYS 606 -5.151 16.103 8.479 401 2HZ LYS 606 HZ2 LYS 606 -4.555 15.697 9.953 402 3HZ LYS 606 HZ3 LYS 606 -3.572 15.639 8.649 403 H LEU 607 H LEU 607 -9.001 9.533 11.669 404 HA LEU 607 HA LEU 607 -7.390 7.299 10.928 405 1HB LEU 607 HB2 LEU 607 -8.659 8.123 13.244 406 2HB LEU 607 HB3 LEU 607 -9.745 6.859 12.742 407 HG LEU 607 HG LEU 607 -7.648 5.327 12.694 408 1HD1 LEU 607 HD11 LEU 607 -6.568 7.609 14.433 409 2HD1 LEU 607 HD12 LEU 607 -5.813 6.020 14.228 410 3HD1 LEU 607 HD13 LEU 607 -5.912 7.155 12.859 411 1HD2 LEU 607 HD21 LEU 607 -7.737 4.974 15.114 412 2HD2 LEU 607 HD22 LEU 607 -8.607 6.514 15.307 413 3HD2 LEU 607 HD23 LEU 607 -9.353 5.168 14.415 414 H VAL 608 H VAL 608 -10.950 7.727 10.885 415 HA VAL 608 HA VAL 608 -11.766 5.355 9.614 416 HB VAL 608 HB VAL 608 -12.932 8.146 9.729 417 1HG1 VAL 608 HG11 VAL 608 -14.295 5.704 8.571 418 2HG1 VAL 608 HG12 VAL 608 -15.107 7.211 9.033 419 3HG1 VAL 608 HG13 VAL 608 -13.934 7.221 7.720 420 1HG2 VAL 608 HG21 VAL 608 -13.843 5.574 11.045 421 2HG2 VAL 608 HG22 VAL 608 -12.738 6.722 11.812 422 3HG2 VAL 608 HG23 VAL 608 -14.364 7.242 11.399 423 H GLN 609 H GLN 609 -10.957 8.460 7.993 424 HA GLN 609 HA GLN 609 -11.449 7.667 5.323 425 1HB GLN 609 HB2 GLN 609 -9.457 9.614 6.544 426 2HB GLN 609 HB3 GLN 609 -9.673 9.471 4.809 427 1HG GLN 609 HG2 GLN 609 -12.036 10.049 6.629 428 2HG GLN 609 HG3 GLN 609 -10.959 11.324 6.073 429 1HE2 GLN 609 HE22 GLN 609 -13.125 12.100 5.213 430 2HE2 GLN 609 HE21 GLN 609 -13.531 11.561 3.581 431 H ALA 610 H ALA 610 -8.394 7.378 7.198 432 HA ALA 610 HA ALA 610 -6.900 6.207 5.025 433 1HB ALA 610 HB1 ALA 610 -5.832 7.378 6.876 434 2HB ALA 610 HB2 ALA 610 -6.400 6.133 8.015 435 3HB ALA 610 HB3 ALA 610 -5.237 5.719 6.728 436 H ILE 611 H ILE 611 -8.714 4.768 7.801 437 HA ILE 611 HA ILE 611 -8.024 2.055 7.378 438 HB ILE 611 HB ILE 611 -10.559 3.262 8.530 439 1HG1 ILE 611 HG12 ILE 611 -8.283 1.869 10.007 440 2HG1 ILE 611 HG13 ILE 611 -8.260 3.583 9.686 441 1HG2 ILE 611 HG21 ILE 611 -9.628 0.348 8.688 442 2HG2 ILE 611 HG22 ILE 611 -11.031 1.045 9.526 443 3HG2 ILE 611 HG23 ILE 611 -11.032 0.923 7.781 444 1HD1 ILE 611 HD11 ILE 611 -9.097 3.298 11.908 445 2HD1 ILE 611 HD12 ILE 611 -10.453 3.831 10.904 446 3HD1 ILE 611 HD13 ILE 611 -10.317 2.124 11.381 447 H PHE 612 H PHE 612 -10.882 3.842 6.003 448 HA PHE 612 HA PHE 612 -10.944 1.777 3.838 449 1HB PHE 612 HB2 PHE 612 -12.635 1.231 5.402 450 2HB PHE 612 HB3 PHE 612 -13.214 2.882 5.458 451 HD1 PHE 612 HD1 PHE 612 -15.369 1.378 5.202 452 HD2 PHE 612 HD2 PHE 612 -12.584 2.059 1.977 453 HE1 PHE 612 HE1 PHE 612 -17.160 1.028 3.564 454 HE2 PHE 612 HE2 PHE 612 -14.386 1.903 0.373 455 HZ PHE 612 HZ PHE 612 -16.695 1.274 1.120 456 HA PRO 613 HA PRO 613 -10.570 5.712 1.510 457 1HB PRO 613 HB2 PRO 613 -9.804 3.656 -0.555 458 2HB PRO 613 HB3 PRO 613 -9.051 5.235 -0.186 459 1HG PRO 613 HG2 PRO 613 -7.885 2.926 0.636 460 2HG PRO 613 HG3 PRO 613 -7.949 4.341 1.740 461 1HD PRO 613 HD2 PRO 613 -9.827 1.960 1.642 462 2HD PRO 613 HD3 PRO 613 -8.987 2.639 3.062 463 H THR 614 H THR 614 -12.673 6.141 1.465 464 HA THR 614 HA THR 614 -14.869 4.760 1.107 465 HB THR 614 HB THR 614 -16.073 6.873 0.624 466 HG1 THR 614 HG1 THR 614 -14.812 8.757 0.395 467 1HG2 THR 614 HG21 THR 614 -15.334 8.131 2.559 468 2HG2 THR 614 HG22 THR 614 -15.285 6.401 2.936 469 3HG2 THR 614 HG23 THR 614 -13.781 7.284 2.597 470 HA PRO 615 HA PRO 615 -15.878 4.130 -3.255 471 1HB PRO 615 HB2 PRO 615 -18.501 3.486 -3.071 472 2HB PRO 615 HB3 PRO 615 -17.241 2.422 -2.377 473 1HG PRO 615 HG2 PRO 615 -18.977 4.395 -0.922 474 2HG PRO 615 HG3 PRO 615 -18.565 2.715 -0.464 475 1HD PRO 615 HD2 PRO 615 -17.233 4.953 0.506 476 2HD PRO 615 HD3 PRO 615 -16.487 3.348 0.355 477 H ASP 616 H ASP 616 -17.869 6.169 -1.184 478 HA ASP 616 HA ASP 616 -17.916 8.490 -2.950 479 1HB ASP 616 HB2 ASP 616 -20.395 6.898 -2.184 480 2HB ASP 616 HB3 ASP 616 -20.503 8.584 -2.566 481 HA PRO 617 HA PRO 617 -17.961 10.234 1.163 482 1HB PRO 617 HB2 PRO 617 -19.088 12.709 0.838 483 2HB PRO 617 HB3 PRO 617 -17.477 12.263 0.203 484 1HG PRO 617 HG2 PRO 617 -20.107 12.367 -1.280 485 2HG PRO 617 HG3 PRO 617 -18.504 12.959 -1.815 486 1HD PRO 617 HD2 PRO 617 -19.591 10.540 -2.561 487 2HD PRO 617 HD3 PRO 617 -17.837 10.773 -2.447 488 H ALA 618 H ALA 618 -21.005 9.813 -0.511 489 HA ALA 618 HA ALA 618 -22.835 10.174 1.647 490 1HB ALA 618 HB1 ALA 618 -23.459 10.032 -0.741 491 2HB ALA 618 HB2 ALA 618 -22.957 8.325 -0.777 492 3HB ALA 618 HB3 ALA 618 -24.331 8.832 0.228 493 H ALA 619 H ALA 619 -20.499 7.583 1.074 494 HA ALA 619 HA ALA 619 -21.827 5.541 2.613 495 1HB ALA 619 HB1 ALA 619 -20.067 5.111 0.923 496 2HB ALA 619 HB2 ALA 619 -18.871 5.915 1.963 497 3HB ALA 619 HB3 ALA 619 -19.653 4.415 2.499 498 H LEU 620 H LEU 620 -19.503 8.120 3.480 499 HA LEU 620 HA LEU 620 -18.817 7.292 6.095 500 1HB LEU 620 HB2 LEU 620 -18.998 10.031 4.782 501 2HB LEU 620 HB3 LEU 620 -18.302 9.786 6.370 502 HG LEU 620 HG LEU 620 -17.232 8.354 3.912 503 1HD1 LEU 620 HD11 LEU 620 -16.347 10.989 5.157 504 2HD1 LEU 620 HD12 LEU 620 -15.470 10.101 3.894 505 3HD1 LEU 620 HD13 LEU 620 -17.072 10.773 3.550 506 1HD2 LEU 620 HD21 LEU 620 -16.582 7.380 6.109 507 2HD2 LEU 620 HD22 LEU 620 -15.198 8.126 5.301 508 3HD2 LEU 620 HD23 LEU 620 -16.001 8.970 6.643 509 H LYS 621 H LYS 621 -21.692 8.944 4.993 510 HA LYS 621 HA LYS 621 -22.584 9.575 7.763 511 1HB LYS 621 HB2 LYS 621 -24.241 11.015 6.708 512 2HB LYS 621 HB3 LYS 621 -22.606 11.407 6.180 513 1HG LYS 621 HG2 LYS 621 -22.990 10.208 4.042 514 2HG LYS 621 HG3 LYS 621 -24.609 9.743 4.583 515 1HD LYS 621 HD2 LYS 621 -24.851 11.582 3.088 516 2HD LYS 621 HD3 LYS 621 -25.201 12.190 4.714 517 1HE LYS 621 HE2 LYS 621 -22.888 13.118 4.851 518 2HE LYS 621 HE3 LYS 621 -22.533 12.474 3.244 519 1HZ LYS 621 HZ1 LYS 621 -23.154 14.812 3.125 520 2HZ LYS 621 HZ2 LYS 621 -24.294 13.931 2.360 521 3HZ LYS 621 HZ3 LYS 621 -24.589 14.536 3.849 522 H ASP 622 H ASP 622 -22.713 6.869 6.083 523 HA ASP 622 HA ASP 622 -25.522 6.207 6.837 524 1HB ASP 622 HB2 ASP 622 -25.093 6.242 4.410 525 2HB ASP 622 HB3 ASP 622 -23.825 5.029 4.625 526 H ARG 623 H ARG 623 -25.919 3.976 7.452 527 HA ARG 623 HA ARG 623 -24.472 3.247 9.765 528 1HB ARG 623 HB2 ARG 623 -26.476 1.736 8.064 529 2HB ARG 623 HB3 ARG 623 -25.740 1.021 9.488 530 1HG ARG 623 HG2 ARG 623 -27.869 1.857 10.093 531 2HG ARG 623 HG3 ARG 623 -26.645 2.794 10.935 532 1HD ARG 623 HD2 ARG 623 -27.844 3.805 8.342 533 2HD ARG 623 HD3 ARG 623 -28.759 3.940 9.851 534 HE ARG 623 HE ARG 623 -26.436 5.054 10.653 535 1HH1 ARG 623 HH11 ARG 623 -28.289 5.821 7.748 536 2HH1 ARG 623 HH12 ARG 623 -27.621 7.434 7.708 537 1HH2 ARG 623 HH21 ARG 623 -25.649 6.941 10.489 538 2HH2 ARG 623 HH22 ARG 623 -25.979 7.992 9.096 539 H ARG 624 H ARG 624 -24.059 2.117 6.509 540 HA ARG 624 HA ARG 624 -22.288 -0.083 6.872 541 1HB ARG 624 HB2 ARG 624 -22.737 1.885 4.595 542 2HB ARG 624 HB3 ARG 624 -21.595 0.546 4.469 543 1HG ARG 624 HG2 ARG 624 -23.331 -1.104 4.908 544 2HG ARG 624 HG3 ARG 624 -24.540 0.156 5.181 545 1HD ARG 624 HD2 ARG 624 -23.066 -0.252 2.548 546 2HD ARG 624 HD3 ARG 624 -24.653 -0.942 2.927 547 HE ARG 624 HE ARG 624 -24.927 1.791 3.452 548 1HH1 ARG 624 HH11 ARG 624 -24.221 -0.033 0.528 549 2HH1 ARG 624 HH12 ARG 624 -24.920 1.210 -0.476 550 1HH2 ARG 624 HH21 ARG 624 -25.742 3.202 2.240 551 2HH2 ARG 624 HH22 ARG 624 -25.803 3.061 0.478 552 H MET 625 H MET 625 -21.502 3.326 7.201 553 HA MET 625 HA MET 625 -18.735 2.406 7.900 554 1HB MET 625 HB2 MET 625 -19.442 5.085 6.685 555 2HB MET 625 HB3 MET 625 -17.922 4.710 7.487 556 1HG MET 625 HG2 MET 625 -17.682 2.734 5.878 557 2HG MET 625 HG3 MET 625 -18.999 3.455 4.958 558 1HE MET 625 HE1 MET 625 -15.319 3.557 6.113 559 2HE MET 625 HE2 MET 625 -14.628 5.014 5.389 560 3HE MET 625 HE3 MET 625 -15.723 5.143 6.788 561 H GLU 626 H GLU 626 -21.604 4.094 9.077 562 HA GLU 626 HA GLU 626 -20.585 5.241 11.404 563 1HB GLU 626 HB2 GLU 626 -22.987 5.090 10.505 564 2HB GLU 626 HB3 GLU 626 -23.077 3.528 11.339 565 1HG GLU 626 HG2 GLU 626 -22.543 4.678 13.487 566 2HG GLU 626 HG3 GLU 626 -22.527 6.227 12.631 567 H ASN 627 H ASN 627 -21.174 1.796 10.780 568 HA ASN 627 HA ASN 627 -20.458 0.683 13.305 569 1HB ASN 627 HB2 ASN 627 -21.546 -0.456 11.323 570 2HB ASN 627 HB3 ASN 627 -20.005 -0.414 10.485 571 1HD2 ASN 627 HD22 ASN 627 -20.166 -2.724 10.305 572 2HD2 ASN 627 HD21 ASN 627 -19.848 -3.769 11.680 573 H LEU 628 H LEU 628 -18.420 1.436 10.466 574 HA LEU 628 HA LEU 628 -15.927 0.590 11.615 575 1HB LEU 628 HB2 LEU 628 -16.512 0.639 9.226 576 2HB LEU 628 HB3 LEU 628 -16.522 2.397 9.230 577 HG LEU 628 HG LEU 628 -14.034 0.908 10.117 578 1HD1 LEU 628 HD11 LEU 628 -13.268 0.874 7.771 579 2HD1 LEU 628 HD12 LEU 628 -14.735 -0.092 7.936 580 3HD1 LEU 628 HD13 LEU 628 -14.828 1.541 7.255 581 1HD2 LEU 628 HD21 LEU 628 -12.911 2.860 9.034 582 2HD2 LEU 628 HD22 LEU 628 -14.502 3.514 8.613 583 3HD2 LEU 628 HD23 LEU 628 -14.002 3.376 10.319 584 H VAL 629 H VAL 629 -17.416 3.772 11.227 585 HA VAL 629 HA VAL 629 -15.558 5.456 12.536 586 HB VAL 629 HB VAL 629 -18.573 5.510 12.301 587 1HG1 VAL 629 HG11 VAL 629 -18.518 7.905 12.870 588 2HG1 VAL 629 HG12 VAL 629 -18.131 6.877 14.249 589 3HG1 VAL 629 HG13 VAL 629 -16.821 7.735 13.393 590 1HG2 VAL 629 HG21 VAL 629 -16.560 7.344 10.965 591 2HG2 VAL 629 HG22 VAL 629 -17.088 5.827 10.222 592 3HG2 VAL 629 HG23 VAL 629 -18.266 7.100 10.566 593 H ALA 630 H ALA 630 -18.204 3.542 14.053 594 HA ALA 630 HA ALA 630 -17.665 4.381 16.729 595 1HB ALA 630 HB1 ALA 630 -18.993 1.843 15.675 596 2HB ALA 630 HB2 ALA 630 -19.112 2.476 17.330 597 3HB ALA 630 HB3 ALA 630 -19.799 3.395 15.977 598 H TYR 631 H TYR 631 -16.534 1.504 14.896 599 HA TYR 631 HA TYR 631 -14.810 0.425 16.926 600 1HB TYR 631 HB2 TYR 631 -15.124 -1.104 15.298 601 2HB TYR 631 HB3 TYR 631 -15.348 0.110 14.059 602 HD1 TYR 631 HD1 TYR 631 -13.801 0.391 12.375 603 HD2 TYR 631 HD2 TYR 631 -12.539 -1.585 16.011 604 HE1 TYR 631 HE1 TYR 631 -11.629 -0.183 11.338 605 HE2 TYR 631 HE2 TYR 631 -10.453 -2.125 14.989 606 HH TYR 631 HH TYR 631 -9.092 -1.914 13.148 607 H ALA 632 H ALA 632 -14.131 2.827 14.315 608 HA ALA 632 HA ALA 632 -11.411 3.257 14.981 609 1HB ALA 632 HB1 ALA 632 -13.440 5.192 13.786 610 2HB ALA 632 HB2 ALA 632 -11.679 5.374 13.744 611 3HB ALA 632 HB3 ALA 632 -12.448 4.023 12.887 612 H LYS 633 H LYS 633 -14.367 4.918 16.280 613 HA LYS 633 HA LYS 633 -12.968 6.582 18.180 614 1HB LYS 633 HB2 LYS 633 -15.767 5.378 18.200 615 2HB LYS 633 HB3 LYS 633 -15.169 6.445 19.474 616 1HG LYS 633 HG2 LYS 633 -14.782 8.244 17.879 617 2HG LYS 633 HG3 LYS 633 -15.280 7.203 16.532 618 1HD LYS 633 HD2 LYS 633 -17.548 7.004 17.519 619 2HD LYS 633 HD3 LYS 633 -17.049 8.062 18.862 620 1HE LYS 633 HE2 LYS 633 -16.530 9.869 17.217 621 2HE LYS 633 HE3 LYS 633 -17.068 8.816 15.901 622 1HZ LYS 633 HZ1 LYS 633 -19.289 8.790 16.937 623 2HZ LYS 633 HZ2 LYS 633 -18.783 9.784 18.131 624 3HZ LYS 633 HZ3 LYS 633 -18.840 10.321 16.592 625 H LYS 634 H LYS 634 -14.249 3.267 18.574 626 HA LYS 634 HA LYS 634 -13.511 2.889 21.283 627 1HB LYS 634 HB2 LYS 634 -15.047 1.463 19.917 628 2HB LYS 634 HB3 LYS 634 -13.645 0.775 19.087 629 1HG LYS 634 HG2 LYS 634 -12.796 -0.121 21.225 630 2HG LYS 634 HG3 LYS 634 -14.140 0.649 22.094 631 1HD LYS 634 HD2 LYS 634 -15.756 -0.732 20.797 632 2HD LYS 634 HD3 LYS 634 -14.400 -1.517 19.956 633 1HE LYS 634 HE2 LYS 634 -13.528 -2.345 22.123 634 2HE LYS 634 HE3 LYS 634 -14.844 -1.532 22.977 635 1HZ LYS 634 HZ1 LYS 634 -16.418 -2.972 21.809 636 2HZ LYS 634 HZ2 LYS 634 -15.211 -3.718 20.997 637 3HZ LYS 634 HZ3 LYS 634 -15.334 -3.884 22.615 638 H VAL 635 H VAL 635 -11.585 2.094 18.357 639 HA VAL 635 HA VAL 635 -9.268 1.233 19.878 640 HB VAL 635 HB VAL 635 -9.504 2.060 16.959 641 1HG1 VAL 635 HG11 VAL 635 -7.243 0.700 18.491 642 2HG1 VAL 635 HG12 VAL 635 -7.356 0.740 16.724 643 3HG1 VAL 635 HG13 VAL 635 -7.154 2.249 17.621 644 1HG2 VAL 635 HG21 VAL 635 -9.400 -0.674 18.329 645 2HG2 VAL 635 HG22 VAL 635 -10.821 0.030 17.540 646 3HG2 VAL 635 HG23 VAL 635 -9.410 -0.403 16.577 647 H GLU 636 H GLU 636 -10.087 4.403 18.335 648 HA GLU 636 HA GLU 636 -7.707 5.777 18.928 649 1HB GLU 636 HB2 GLU 636 -9.574 6.585 17.543 650 2HB GLU 636 HB3 GLU 636 -10.572 6.825 18.965 651 1HG GLU 636 HG2 GLU 636 -7.946 8.257 18.381 652 2HG GLU 636 HG3 GLU 636 -9.526 8.871 17.944 653 H GLY 637 H GLY 637 -10.533 5.245 21.055 654 1HA GLY 637 HA2 GLY 637 -9.616 6.632 23.345 655 2HA GLY 637 HA3 GLY 637 -10.773 5.296 23.325 656 H ASP 638 H ASP 638 -8.699 3.376 22.203 657 HA ASP 638 HA ASP 638 -7.530 2.571 24.798 658 1HB ASP 638 HB2 ASP 638 -8.609 0.952 23.237 659 2HB ASP 638 HB3 ASP 638 -7.383 1.311 22.023 660 H MET 639 H MET 639 -6.376 3.675 21.583 661 HA MET 639 HA MET 639 -3.565 3.656 22.194 662 1HB MET 639 HB2 MET 639 -5.093 5.471 20.282 663 2HB MET 639 HB3 MET 639 -3.355 5.166 20.266 664 1HG MET 639 HG2 MET 639 -5.526 3.094 19.746 665 2HG MET 639 HG3 MET 639 -4.577 3.878 18.508 666 1HE MET 639 HE1 MET 639 -4.956 0.639 18.789 667 2HE MET 639 HE2 MET 639 -4.140 1.547 17.495 668 3HE MET 639 HE3 MET 639 -3.306 0.202 18.303 669 H TYR 640 H TYR 640 -6.079 6.144 22.630 670 HA TYR 640 HA TYR 640 -4.531 8.224 23.835 671 1HB TYR 640 HB2 TYR 640 -6.714 8.509 22.889 672 2HB TYR 640 HB3 TYR 640 -7.428 7.339 23.960 673 HD1 TYR 640 HD1 TYR 640 -8.235 7.899 26.127 674 HD2 TYR 640 HD2 TYR 640 -6.035 10.779 23.782 675 HE1 TYR 640 HE1 TYR 640 -9.065 9.726 27.598 676 HE2 TYR 640 HE2 TYR 640 -6.851 12.606 25.274 677 HH TYR 640 HH TYR 640 -9.118 11.983 27.986 678 H GLU 641 H GLU 641 -6.477 5.612 25.401 679 HA GLU 641 HA GLU 641 -5.948 6.368 28.066 680 1HB GLU 641 HB2 GLU 641 -7.773 4.955 27.405 681 2HB GLU 641 HB3 GLU 641 -6.679 3.685 26.838 682 1HG GLU 641 HG2 GLU 641 -6.004 3.150 29.057 683 2HG GLU 641 HG3 GLU 641 -6.736 4.620 29.728 684 H SER 642 H SER 642 -3.819 4.699 25.867 685 HA SER 642 HA SER 642 -2.166 3.641 28.125 686 1HB SER 642 HB2 SER 642 -2.308 2.931 25.188 687 2HB SER 642 HB3 SER 642 -1.093 2.274 26.302 688 HG SER 642 HG SER 642 -2.993 0.948 26.106 689 H ALA 643 H ALA 643 -1.851 6.144 25.674 690 HA ALA 643 HA ALA 643 1.023 6.026 25.534 691 1HB ALA 643 HB1 ALA 643 -0.453 6.819 23.709 692 2HB ALA 643 HB2 ALA 643 -0.939 8.195 24.717 693 3HB ALA 643 HB3 ALA 643 0.745 8.041 24.178 694 H ASN 644 H ASN 644 2.542 7.071 26.673 695 HA ASN 644 HA ASN 644 1.738 8.911 28.866 696 1HB ASN 644 HB2 ASN 644 3.820 8.567 29.864 697 2HB ASN 644 HB3 ASN 644 3.242 6.991 29.353 698 1HD2 ASN 644 HD22 ASN 644 5.351 9.688 28.179 699 2HD2 ASN 644 HD21 ASN 644 6.581 8.602 27.532 700 H SER 645 H SER 645 2.310 9.453 25.700 701 HA SER 645 HA SER 645 2.644 12.294 26.251 702 1HB SER 645 HB2 SER 645 4.475 12.746 24.803 703 2HB SER 645 HB3 SER 645 5.012 11.502 25.939 704 HG SER 645 HG SER 645 5.652 10.902 23.893 705 H ARG 646 H ARG 646 2.026 13.629 24.431 706 HA ARG 646 HA ARG 646 -0.125 12.594 22.843 707 1HB ARG 646 HB2 ARG 646 0.285 14.991 23.607 708 2HB ARG 646 HB3 ARG 646 1.488 15.110 22.316 709 1HG ARG 646 HG2 ARG 646 -0.313 14.582 20.637 710 2HG ARG 646 HG3 ARG 646 -1.472 14.436 21.965 711 1HD ARG 646 HD2 ARG 646 -1.804 16.607 21.140 712 2HD ARG 646 HD3 ARG 646 -0.859 16.824 22.613 713 HE ARG 646 HE ARG 646 -0.026 17.289 19.803 714 1HH1 ARG 646 HH12 ARG 646 1.057 17.582 23.126 715 2HH1 ARG 646 HH11 ARG 646 2.561 18.296 22.621 716 1HH2 ARG 646 HH21 ARG 646 1.632 18.311 19.294 717 2HH2 ARG 646 HH22 ARG 646 2.890 18.766 20.447 718 H ASP 647 H ASP 647 3.278 13.186 22.093 719 HA ASP 647 HA ASP 647 3.255 12.521 19.309 720 1HB ASP 647 HB2 ASP 647 5.116 13.661 20.433 721 2HB ASP 647 HB3 ASP 647 5.430 12.232 21.418 722 H GLU 648 H GLU 648 3.714 10.417 22.225 723 HA GLU 648 HA GLU 648 3.989 7.979 20.715 724 1HB GLU 648 HB2 GLU 648 4.773 8.225 23.019 725 2HB GLU 648 HB3 GLU 648 3.110 8.437 23.591 726 1HG GLU 648 HG2 GLU 648 2.542 6.159 22.893 727 2HG GLU 648 HG3 GLU 648 4.126 5.960 22.134 728 H TYR 649 H TYR 649 1.122 9.608 22.147 729 HA TYR 649 HA TYR 649 -0.847 7.672 21.453 730 1HB TYR 649 HB2 TYR 649 -1.590 9.311 22.875 731 2HB TYR 649 HB3 TYR 649 -0.760 10.600 22.048 732 HD1 TYR 649 HD1 TYR 649 -1.887 12.040 20.585 733 HD2 TYR 649 HD2 TYR 649 -3.678 8.279 21.697 734 HE1 TYR 649 HE1 TYR 649 -4.053 12.804 19.660 735 HE2 TYR 649 HE2 TYR 649 -5.872 9.066 20.810 736 HH TYR 649 HH TYR 649 -7.049 10.822 19.989 737 H TYR 650 H TYR 650 0.093 10.598 19.539 738 HA TYR 650 HA TYR 650 -1.157 9.897 17.125 739 1HB TYR 650 HB2 TYR 650 1.362 11.435 17.824 740 2HB TYR 650 HB3 TYR 650 1.052 11.027 16.149 741 HD1 TYR 650 HD1 TYR 650 -1.493 11.388 15.384 742 HD2 TYR 650 HD2 TYR 650 0.629 13.607 18.410 743 HE1 TYR 650 HE1 TYR 650 -2.986 13.318 14.998 744 HE2 TYR 650 HE2 TYR 650 -0.864 15.577 18.000 745 HH TYR 650 HH TYR 650 -3.430 15.491 15.515 746 H HIS 651 H HIS 651 2.177 8.869 18.113 747 HA HIS 651 HA HIS 651 2.697 7.363 15.760 748 1HB HIS 651 HB2 HIS 651 4.458 7.906 17.318 749 2HB HIS 651 HB3 HIS 651 3.670 7.004 18.613 750 HD1 HIS 651 HD1 HIS 651 4.955 6.041 15.030 751 HD2 HIS 651 HD2 HIS 651 4.656 4.656 19.007 752 HE1 HIS 651 HE1 HIS 651 6.024 3.731 15.072 753 H LEU 652 H LEU 652 1.131 6.271 18.816 754 HA LEU 652 HA LEU 652 0.679 3.575 17.991 755 1HB LEU 652 HB2 LEU 652 -0.631 5.407 20.030 756 2HB LEU 652 HB3 LEU 652 -1.137 3.745 19.815 757 HG LEU 652 HG LEU 652 1.724 4.498 20.520 758 1HD1 LEU 652 HD11 LEU 652 0.161 5.194 22.285 759 2HD1 LEU 652 HD12 LEU 652 -0.566 3.574 22.312 760 3HD1 LEU 652 HD13 LEU 652 1.127 3.810 22.811 761 1HD2 LEU 652 HD21 LEU 652 1.550 2.266 19.509 762 2HD2 LEU 652 HD22 LEU 652 1.857 2.130 21.241 763 3HD2 LEU 652 HD23 LEU 652 0.219 1.848 20.612 764 H LEU 653 H LEU 653 -1.494 6.451 17.672 765 HA LEU 653 HA LEU 653 -3.628 5.105 16.289 766 1HB LEU 653 HB2 LEU 653 -2.550 7.954 15.999 767 2HB LEU 653 HB3 LEU 653 -3.998 7.370 15.216 768 HG LEU 653 HG LEU 653 -3.622 7.744 18.206 769 1HD1 LEU 653 HD11 LEU 653 -5.345 9.494 17.846 770 2HD1 LEU 653 HD12 LEU 653 -3.834 9.828 16.988 771 3HD1 LEU 653 HD13 LEU 653 -5.247 9.214 16.099 772 1HD2 LEU 653 HD21 LEU 653 -6.149 6.937 16.712 773 2HD2 LEU 653 HD22 LEU 653 -5.169 5.829 17.692 774 3HD2 LEU 653 HD23 LEU 653 -5.946 7.211 18.460 775 H ALA 654 H ALA 654 -0.835 6.899 14.955 776 HA ALA 654 HA ALA 654 -1.585 6.418 12.274 777 1HB ALA 654 HB1 ALA 654 -0.367 8.396 13.169 778 2HB ALA 654 HB2 ALA 654 1.063 7.380 13.442 779 3HB ALA 654 HB3 ALA 654 0.447 7.657 11.794 780 H GLU 655 H GLU 655 0.638 4.570 14.379 781 HA GLU 655 HA GLU 655 1.754 2.904 12.287 782 1HB GLU 655 HB2 GLU 655 2.760 3.209 14.544 783 2HB GLU 655 HB3 GLU 655 1.369 2.400 15.268 784 1HG GLU 655 HG2 GLU 655 3.141 0.827 15.195 785 2HG GLU 655 HG3 GLU 655 1.977 0.317 13.989 786 H LYS 656 H LYS 656 -1.077 2.478 14.514 787 HA LYS 656 HA LYS 656 -1.942 -0.038 13.444 788 1HB LYS 656 HB2 LYS 656 -3.518 0.121 15.002 789 2HB LYS 656 HB3 LYS 656 -2.723 1.569 15.517 790 1HG LYS 656 HG2 LYS 656 -4.821 2.397 15.429 791 2HG LYS 656 HG3 LYS 656 -4.424 2.728 13.752 792 1HD LYS 656 HD2 LYS 656 -5.509 0.549 13.105 793 2HD LYS 656 HD3 LYS 656 -5.907 0.312 14.820 794 1HE LYS 656 HE2 LYS 656 -7.147 2.500 14.786 795 2HE LYS 656 HE3 LYS 656 -6.890 2.579 13.040 796 1HZ LYS 656 HZ1 LYS 656 -8.319 0.360 14.432 797 2HZ LYS 656 HZ2 LYS 656 -9.065 1.581 13.650 798 3HZ LYS 656 HZ3 LYS 656 -8.164 0.502 12.821 799 H ILE 657 H ILE 657 -2.566 3.270 12.428 800 HA ILE 657 HA ILE 657 -4.265 2.679 10.204 801 HB ILE 657 HB ILE 657 -2.508 4.999 11.004 802 1HG1 ILE 657 HG12 ILE 657 -4.601 4.769 12.204 803 2HG1 ILE 657 HG13 ILE 657 -4.651 6.194 11.193 804 1HG2 ILE 657 HG21 ILE 657 -3.506 6.324 9.090 805 2HG2 ILE 657 HG22 ILE 657 -2.220 5.188 8.690 806 3HG2 ILE 657 HG23 ILE 657 -3.898 4.760 8.333 807 1HD1 ILE 657 HD11 ILE 657 -6.140 3.588 10.949 808 2HD1 ILE 657 HD12 ILE 657 -6.727 5.247 10.773 809 3HD1 ILE 657 HD13 ILE 657 -5.828 4.503 9.461 810 H TYR 658 H TYR 658 -0.617 3.175 10.172 811 HA TYR 658 HA TYR 658 -0.578 2.602 7.397 812 1HB TYR 658 HB2 TYR 658 1.249 3.694 8.888 813 2HB TYR 658 HB3 TYR 658 1.786 2.045 9.171 814 HD1 TYR 658 HD1 TYR 658 1.757 4.854 6.900 815 HD2 TYR 658 HD2 TYR 658 2.274 0.589 6.995 816 HE1 TYR 658 HE1 TYR 658 2.241 4.824 4.420 817 HE2 TYR 658 HE2 TYR 658 2.819 0.637 4.546 818 HH TYR 658 HH TYR 658 2.617 1.814 2.592 819 H LYS 659 H LYS 659 -0.316 0.396 10.215 820 HA LYS 659 HA LYS 659 0.229 -1.995 8.798 821 1HB LYS 659 HB2 LYS 659 0.292 -1.814 11.227 822 2HB LYS 659 HB3 LYS 659 -1.457 -1.608 11.321 823 1HG LYS 659 HG2 LYS 659 -0.285 -4.007 9.899 824 2HG LYS 659 HG3 LYS 659 -0.275 -3.979 11.659 825 1HD LYS 659 HD2 LYS 659 -2.433 -4.579 11.807 826 2HD LYS 659 HD3 LYS 659 -2.948 -3.298 10.728 827 1HE LYS 659 HE2 LYS 659 -3.638 -5.385 9.764 828 2HE LYS 659 HE3 LYS 659 -2.366 -4.697 8.756 829 1HZ LYS 659 HZ1 LYS 659 -1.972 -7.029 9.057 830 2HZ LYS 659 HZ2 LYS 659 -0.794 -6.242 9.865 831 3HZ LYS 659 HZ3 LYS 659 -2.030 -6.922 10.695 832 H ILE 660 H ILE 660 -3.029 -0.605 9.513 833 HA ILE 660 HA ILE 660 -4.493 -2.502 7.908 834 HB ILE 660 HB ILE 660 -5.047 0.330 8.816 835 1HG1 ILE 660 HG12 ILE 660 -6.295 -2.386 9.470 836 2HG1 ILE 660 HG13 ILE 660 -5.041 -1.604 10.428 837 1HG2 ILE 660 HG21 ILE 660 -6.878 -1.413 7.097 838 2HG2 ILE 660 HG22 ILE 660 -7.388 0.033 7.981 839 3HG2 ILE 660 HG23 ILE 660 -6.223 0.196 6.688 840 1HD1 ILE 660 HD11 ILE 660 -7.099 -1.224 11.529 841 2HD1 ILE 660 HD12 ILE 660 -6.600 0.328 10.821 842 3HD1 ILE 660 HD13 ILE 660 -7.894 -0.643 10.064 843 H GLN 661 H GLN 661 -2.779 0.494 7.018 844 HA GLN 661 HA GLN 661 -3.838 0.628 4.395 845 1HB GLN 661 HB2 GLN 661 -2.386 2.359 5.875 846 2HB GLN 661 HB3 GLN 661 -1.074 1.714 4.894 847 1HG GLN 661 HG2 GLN 661 -1.875 3.583 3.706 848 2HG GLN 661 HG3 GLN 661 -2.602 2.213 2.849 849 1HE2 GLN 661 HE22 GLN 661 -4.978 2.067 2.899 850 2HE2 GLN 661 HE21 GLN 661 -5.933 3.191 3.874 851 H LYS 662 H LYS 662 -0.624 -0.725 5.398 852 HA LYS 662 HA LYS 662 -0.139 -1.670 2.682 853 1HB LYS 662 HB2 LYS 662 1.866 -2.720 3.490 854 2HB LYS 662 HB3 LYS 662 1.736 -1.029 3.914 855 1HG LYS 662 HG2 LYS 662 1.028 -1.755 6.256 856 2HG LYS 662 HG3 LYS 662 1.381 -3.410 5.781 857 1HD LYS 662 HD2 LYS 662 3.400 -1.085 5.812 858 2HD LYS 662 HD3 LYS 662 3.230 -2.349 7.043 859 1HE LYS 662 HE2 LYS 662 3.701 -4.090 5.298 860 2HE LYS 662 HE3 LYS 662 3.985 -2.802 4.120 861 1HZ LYS 662 HZ1 LYS 662 5.550 -3.204 6.616 862 2HZ LYS 662 HZ2 LYS 662 6.060 -3.578 5.114 863 3HZ LYS 662 HZ3 LYS 662 5.819 -2.016 5.524 864 H GLU 663 H GLU 663 -1.737 -3.162 5.413 865 HA GLU 663 HA GLU 663 -1.714 -5.848 4.347 866 1HB GLU 663 HB2 GLU 663 -2.440 -5.095 6.683 867 2HB GLU 663 HB3 GLU 663 -3.946 -4.537 5.954 868 1HG GLU 663 HG2 GLU 663 -4.424 -6.685 6.796 869 2HG GLU 663 HG3 GLU 663 -4.226 -6.947 5.065 870 H LEU 664 H LEU 664 -4.131 -3.176 4.032 871 HA LEU 664 HA LEU 664 -5.769 -4.423 2.057 872 1HB LEU 664 HB2 LEU 664 -5.285 -1.615 3.036 873 2HB LEU 664 HB3 LEU 664 -6.131 -1.817 1.515 874 HG LEU 664 HG LEU 664 -7.937 -3.006 2.490 875 1HD1 LEU 664 HD11 LEU 664 -6.483 -2.977 5.160 876 2HD1 LEU 664 HD12 LEU 664 -8.159 -3.480 4.896 877 3HD1 LEU 664 HD13 LEU 664 -6.843 -4.411 4.177 878 1HD2 LEU 664 HD21 LEU 664 -7.950 -0.550 2.691 879 2HD2 LEU 664 HD22 LEU 664 -8.795 -1.286 4.056 880 3HD2 LEU 664 HD23 LEU 664 -7.155 -0.665 4.279 881 H GLU 665 H GLU 665 -3.009 -2.138 1.592 882 HA GLU 665 HA GLU 665 -3.083 -2.040 -1.199 883 1HB GLU 665 HB2 GLU 665 -1.783 -0.584 0.354 884 2HB GLU 665 HB3 GLU 665 -0.629 -1.903 0.593 885 1HG GLU 665 HG2 GLU 665 0.038 -1.777 -1.767 886 2HG GLU 665 HG3 GLU 665 -1.204 -0.557 -2.075 887 H GLU 666 H GLU 666 -2.067 -4.809 0.640 888 HA GLU 666 HA GLU 666 -0.991 -6.088 -1.857 889 1HB GLU 666 HB2 GLU 666 0.483 -6.168 0.157 890 2HB GLU 666 HB3 GLU 666 -0.807 -6.978 1.052 891 1HG GLU 666 HG2 GLU 666 -0.725 -8.860 -0.630 892 2HG GLU 666 HG3 GLU 666 0.626 -8.042 -1.422 893 H LYS 667 H LYS 667 -3.107 -6.939 0.908 894 HA LYS 667 HA LYS 667 -4.044 -9.327 -0.349 895 1HB LYS 667 HB2 LYS 667 -5.331 -7.702 1.889 896 2HB LYS 667 HB3 LYS 667 -5.728 -9.369 1.469 897 1HG LYS 667 HG2 LYS 667 -3.088 -8.372 2.605 898 2HG LYS 667 HG3 LYS 667 -4.314 -9.345 3.416 899 1HD LYS 667 HD2 LYS 667 -3.896 -11.143 1.649 900 2HD LYS 667 HD3 LYS 667 -2.500 -10.195 1.115 901 1HE LYS 667 HE2 LYS 667 -2.935 -11.354 3.903 902 2HE LYS 667 HE3 LYS 667 -1.875 -12.018 2.655 903 1HZ LYS 667 HZ1 LYS 667 -1.535 -9.412 4.039 904 2HZ LYS 667 HZ2 LYS 667 -0.578 -10.720 4.173 905 3HZ LYS 667 HZ3 LYS 667 -0.596 -9.904 2.758 906 H ARG 668 H ARG 668 -5.156 -6.077 -0.815 907 HA ARG 668 HA ARG 668 -7.620 -6.988 -2.245 908 1HB ARG 668 HB2 ARG 668 -6.640 -4.163 -1.714 909 2HB ARG 668 HB3 ARG 668 -8.233 -4.628 -2.236 910 1HG ARG 668 HG2 ARG 668 -7.197 -5.547 0.472 911 2HG ARG 668 HG3 ARG 668 -7.836 -3.945 0.216 912 1HD ARG 668 HD2 ARG 668 -9.544 -5.379 1.121 913 2HD ARG 668 HD3 ARG 668 -9.971 -4.762 -0.467 914 HE ARG 668 HE ARG 668 -10.357 -6.870 -1.129 915 1HH1 ARG 668 HH11 ARG 668 -7.967 -7.247 1.397 916 2HH1 ARG 668 HH12 ARG 668 -8.084 -8.988 1.340 917 1HH2 ARG 668 HH21 ARG 668 -10.452 -9.044 -1.139 918 2HH2 ARG 668 HH22 ARG 668 -9.438 -9.970 -0.078 919 H ARG 669 H ARG 669 -4.380 -6.425 -3.031 920 HA ARG 669 HA ARG 669 -5.018 -5.495 -5.814 921 1HB ARG 669 HB2 ARG 669 -3.687 -3.994 -4.320 922 2HB ARG 669 HB3 ARG 669 -2.447 -5.254 -4.213 923 1HG ARG 669 HG2 ARG 669 -2.030 -5.090 -6.635 924 2HG ARG 669 HG3 ARG 669 -3.353 -3.917 -6.800 925 1HD ARG 669 HD2 ARG 669 -2.162 -2.364 -5.290 926 2HD ARG 669 HD3 ARG 669 -0.860 -3.534 -5.089 927 HE ARG 669 HE ARG 669 -0.558 -3.336 -7.633 928 1HH1 ARG 669 HH21 ARG 669 -1.788 -0.552 -5.902 929 2HH1 ARG 669 HH22 ARG 669 -0.704 0.546 -6.720 930 1HH2 ARG 669 HH11 ARG 669 0.601 -1.855 -8.803 931 2HH2 ARG 669 HH12 ARG 669 0.488 -0.163 -8.421 932 H SER 670 H SER 670 -3.144 -7.893 -3.998 933 HA SER 670 HA SER 670 -2.108 -9.298 -6.311 934 1HB SER 670 HB2 SER 670 -2.471 -10.231 -3.457 935 2HB SER 670 HB3 SER 670 -1.441 -11.001 -4.676 936 HG SER 670 HG SER 670 -0.145 -9.145 -4.722 937 H ARG 671 H ARG 671 -4.647 -8.967 -6.963 938 HA ARG 671 HA ARG 671 -5.874 -11.694 -7.001 939 1HB ARG 671 HB2 ARG 671 -7.318 -9.044 -6.503 940 2HB ARG 671 HB3 ARG 671 -8.126 -10.583 -6.784 941 1HG ARG 671 HG2 ARG 671 -6.326 -9.972 -4.397 942 2HG ARG 671 HG3 ARG 671 -8.088 -9.971 -4.403 943 1HD ARG 671 HD2 ARG 671 -8.129 -12.359 -5.008 944 2HD ARG 671 HD3 ARG 671 -6.373 -12.417 -5.033 945 HE ARG 671 HE ARG 671 -8.132 -12.250 -2.668 946 1HH1 ARG 671 HH21 ARG 671 -4.780 -12.200 -3.757 947 2HH1 ARG 671 HH22 ARG 671 -4.193 -12.682 -2.186 948 1HH2 ARG 671 HH11 ARG 671 -7.288 -12.849 -0.714 949 2HH2 ARG 671 HH12 ARG 671 -5.571 -13.018 -0.516 950 H LEU 672 H LEU 672 -4.214 -9.951 -8.777 951 HA LEU 672 HA LEU 672 -5.665 -9.016 -11.049 952 1HB LEU 672 HB2 LEU 672 -2.801 -10.050 -10.933 953 2HB LEU 672 HB3 LEU 672 -3.492 -9.023 -12.179 954 HG LEU 672 HG LEU 672 -2.938 -8.262 -9.287 955 1HD1 LEU 672 HD11 LEU 672 -1.352 -6.686 -10.306 956 2HD1 LEU 672 HD12 LEU 672 -0.972 -8.357 -10.749 957 3HD1 LEU 672 HD13 LEU 672 -1.775 -7.289 -11.924 958 1HD2 LEU 672 HD21 LEU 672 -4.213 -6.601 -11.506 959 2HD2 LEU 672 HD22 LEU 672 -4.974 -7.089 -9.972 960 3HD2 LEU 672 HD23 LEU 672 -3.618 -5.962 -9.955 961 1H SER 839 H1 SER 839 -13.138 -11.761 21.618 962 2H SER 839 H2 SER 839 -14.517 -10.947 21.985 963 3H SER 839 H3 SER 839 -13.678 -11.702 23.166 964 HA SER 839 HA SER 839 -14.100 -13.845 22.247 965 1HB SER 839 HB2 SER 839 -16.652 -12.269 22.736 966 2HB SER 839 HB3 SER 839 -16.459 -14.035 22.814 967 HG SER 839 HG SER 839 -16.267 -13.026 24.879 968 H ASP 840 H ASP 840 -16.577 -11.718 20.611 969 HA ASP 840 HA ASP 840 -16.755 -13.446 18.324 970 1HB ASP 840 HB2 ASP 840 -18.199 -11.757 17.424 971 2HB ASP 840 HB3 ASP 840 -18.571 -11.980 19.128 972 H ALA 841 H ALA 841 -14.591 -10.837 19.099 973 HA ALA 841 HA ALA 841 -12.950 -11.457 16.748 974 1HB ALA 841 HB1 ALA 841 -14.326 -9.531 16.006 975 2HB ALA 841 HB2 ALA 841 -13.818 -8.607 17.437 976 3HB ALA 841 HB3 ALA 841 -12.629 -9.061 16.198 977 H GLY 842 H GLY 842 -10.775 -10.292 17.000 978 1HA GLY 842 HA2 GLY 842 -9.841 -9.502 19.640 979 2HA GLY 842 HA3 GLY 842 -9.393 -11.165 19.232 980 H ASN 843 H ASN 843 -9.603 -8.237 17.175 981 HA ASN 843 HA ASN 843 -6.698 -8.320 16.544 982 1HB ASN 843 HB2 ASN 843 -7.889 -9.867 14.971 983 2HB ASN 843 HB3 ASN 843 -8.981 -8.558 14.519 984 1HD2 ASN 843 HD21 ASN 843 -8.440 -8.103 12.382 985 2HD2 ASN 843 HD22 ASN 843 -6.782 -7.836 11.861 986 H ILE 844 H ILE 844 -5.964 -6.383 15.395 987 HA ILE 844 HA ILE 844 -7.147 -3.907 16.247 988 HB ILE 844 HB ILE 844 -5.058 -4.511 14.124 989 1HG1 ILE 844 HG12 ILE 844 -4.398 -5.025 16.487 990 2HG1 ILE 844 HG13 ILE 844 -3.416 -3.802 15.704 991 1HG2 ILE 844 HG21 ILE 844 -4.492 -2.021 14.377 992 2HG2 ILE 844 HG22 ILE 844 -5.957 -2.396 13.467 993 3HG2 ILE 844 HG23 ILE 844 -6.106 -1.857 15.144 994 1HD1 ILE 844 HD11 ILE 844 -4.537 -2.003 16.971 995 2HD1 ILE 844 HD12 ILE 844 -5.620 -3.199 17.728 996 3HD1 ILE 844 HD13 ILE 844 -3.880 -3.234 18.053 997 H LEU 845 H LEU 845 -7.841 -5.869 13.437 998 HA LEU 845 HA LEU 845 -9.949 -3.887 12.664 999 1HB LEU 845 HB2 LEU 845 -8.160 -3.850 11.008 1000 2HB LEU 845 HB3 LEU 845 -8.250 -5.599 10.825 1001 HG LEU 845 HG LEU 845 -10.534 -5.391 9.896 1002 1HD1 LEU 845 HD11 LEU 845 -11.383 -3.197 9.147 1003 2HD1 LEU 845 HD12 LEU 845 -11.347 -3.322 10.913 1004 3HD1 LEU 845 HD13 LEU 845 -10.092 -2.391 10.062 1005 1HD2 LEU 845 HD21 LEU 845 -8.488 -3.612 8.516 1006 2HD2 LEU 845 HD22 LEU 845 -8.567 -5.384 8.406 1007 3HD2 LEU 845 HD23 LEU 845 -9.881 -4.399 7.743 1008 HA PRO 846 HA PRO 846 -12.123 -7.516 14.525 1009 1HB PRO 846 HB2 PRO 846 -14.029 -5.183 14.019 1010 2HB PRO 846 HB3 PRO 846 -14.152 -6.444 15.307 1011 1HG PRO 846 HG2 PRO 846 -13.064 -4.106 15.912 1012 2HG PRO 846 HG3 PRO 846 -12.106 -5.577 16.325 1013 1HD PRO 846 HD2 PRO 846 -11.902 -3.820 13.859 1014 2HD PRO 846 HD3 PRO 846 -10.587 -4.363 14.951 1015 H SER 847 H SER 847 -13.199 -9.148 13.510 1016 HA SER 847 HA SER 847 -13.006 -9.414 10.769 1017 1HB SER 847 HB2 SER 847 -14.351 -11.484 11.054 1018 2HB SER 847 HB3 SER 847 -13.026 -11.307 12.218 1019 HG SER 847 HG SER 847 -14.985 -11.958 13.235 1020 H ASP 848 H ASP 848 -15.989 -8.529 12.519 1021 HA ASP 848 HA ASP 848 -17.827 -8.660 10.367 1022 1HB ASP 848 HB2 ASP 848 -18.479 -8.415 12.707 1023 2HB ASP 848 HB3 ASP 848 -17.701 -6.835 12.803 1024 H ILE 849 H ILE 849 -15.738 -5.947 11.370 1025 HA ILE 849 HA ILE 849 -16.633 -4.208 9.163 1026 HB ILE 849 HB ILE 849 -14.644 -3.890 11.441 1027 1HG1 ILE 849 HG12 ILE 849 -17.129 -2.265 10.722 1028 2HG1 ILE 849 HG13 ILE 849 -17.282 -3.765 11.633 1029 1HG2 ILE 849 HG21 ILE 849 -13.666 -2.669 9.558 1030 2HG2 ILE 849 HG22 ILE 849 -15.236 -1.920 9.195 1031 3HG2 ILE 849 HG23 ILE 849 -14.362 -1.529 10.694 1032 1HD1 ILE 849 HD11 ILE 849 -15.659 -1.388 12.516 1033 2HD1 ILE 849 HD12 ILE 849 -17.270 -1.840 13.106 1034 3HD1 ILE 849 HD13 ILE 849 -15.876 -2.902 13.423 1035 H MET 850 H MET 850 -13.823 -6.256 9.926 1036 HA MET 850 HA MET 850 -12.146 -5.597 7.770 1037 1HB MET 850 HB2 MET 850 -11.647 -7.238 9.664 1038 2HB MET 850 HB3 MET 850 -12.637 -8.415 8.811 1039 1HG MET 850 HG2 MET 850 -11.164 -8.269 6.840 1040 2HG MET 850 HG3 MET 850 -10.198 -7.034 7.633 1041 1HE MET 850 HE1 MET 850 -10.268 -11.560 8.613 1042 2HE MET 850 HE2 MET 850 -11.706 -10.556 8.886 1043 3HE MET 850 HE3 MET 850 -11.072 -10.775 7.238 1044 H ASP 851 H ASP 851 -14.733 -8.127 7.821 1045 HA ASP 851 HA ASP 851 -14.551 -8.966 5.161 1046 1HB ASP 851 HB2 ASP 851 -15.861 -10.070 6.911 1047 2HB ASP 851 HB3 ASP 851 -16.991 -8.718 6.962 1048 H PHE 852 H PHE 852 -16.432 -6.161 6.405 1049 HA PHE 852 HA PHE 852 -17.537 -5.518 3.816 1050 1HB PHE 852 HB2 PHE 852 -18.485 -4.873 6.078 1051 2HB PHE 852 HB3 PHE 852 -17.223 -3.650 6.189 1052 HD1 PHE 852 HD1 PHE 852 -19.893 -4.899 3.833 1053 HD2 PHE 852 HD2 PHE 852 -17.751 -1.475 5.355 1054 HE1 PHE 852 HE1 PHE 852 -21.308 -3.400 2.448 1055 HE2 PHE 852 HE2 PHE 852 -19.184 0.017 3.985 1056 HZ PHE 852 HZ PHE 852 -20.932 -0.938 2.503 1057 H VAL 853 H VAL 853 -14.635 -4.290 5.583 1058 HA VAL 853 HA VAL 853 -13.800 -2.451 3.520 1059 HB VAL 853 HB VAL 853 -12.238 -3.930 5.676 1060 1HG1 VAL 853 HG11 VAL 853 -10.643 -3.435 3.828 1061 2HG1 VAL 853 HG12 VAL 853 -11.204 -1.745 3.811 1062 3HG1 VAL 853 HG13 VAL 853 -10.372 -2.402 5.231 1063 1HG2 VAL 853 HG21 VAL 853 -13.759 -2.148 6.468 1064 2HG2 VAL 853 HG22 VAL 853 -12.064 -1.637 6.621 1065 3HG2 VAL 853 HG23 VAL 853 -13.056 -1.022 5.287 1066 H LEU 854 H LEU 854 -13.136 -5.964 3.954 1067 HA LEU 854 HA LEU 854 -11.419 -6.173 1.690 1068 1HB LEU 854 HB2 LEU 854 -13.152 -8.415 2.774 1069 2HB LEU 854 HB3 LEU 854 -11.725 -8.534 1.765 1070 HG LEU 854 HG LEU 854 -11.935 -8.192 4.703 1071 1HD1 LEU 854 HD11 LEU 854 -9.981 -9.680 2.951 1072 2HD1 LEU 854 HD12 LEU 854 -10.156 -9.806 4.714 1073 3HD1 LEU 854 HD13 LEU 854 -11.470 -10.346 3.658 1074 1HD2 LEU 854 HD21 LEU 854 -9.556 -7.486 4.883 1075 2HD2 LEU 854 HD22 LEU 854 -9.557 -7.145 3.136 1076 3HD2 LEU 854 HD23 LEU 854 -10.582 -6.208 4.238 1077 H LYS 855 H LYS 855 -14.928 -6.233 1.892 1078 HA LYS 855 HA LYS 855 -15.411 -7.036 -0.868 1079 1HB LYS 855 HB2 LYS 855 -17.033 -7.325 1.000 1080 2HB LYS 855 HB3 LYS 855 -17.173 -5.572 1.153 1081 1HG LYS 855 HG2 LYS 855 -18.098 -5.445 -1.159 1082 2HG LYS 855 HG3 LYS 855 -17.949 -7.210 -1.298 1083 1HD LYS 855 HD2 LYS 855 -19.581 -7.485 0.547 1084 2HD LYS 855 HD3 LYS 855 -19.584 -5.735 0.815 1085 1HE LYS 855 HE2 LYS 855 -21.532 -6.125 -0.424 1086 2HE LYS 855 HE3 LYS 855 -20.392 -5.430 -1.567 1087 1HZ LYS 855 HZ1 LYS 855 -21.030 -8.328 -1.322 1088 2HZ LYS 855 HZ2 LYS 855 -21.534 -7.346 -2.520 1089 3HZ LYS 855 HZ3 LYS 855 -19.950 -7.706 -2.382 1090 H ASN 856 H ASN 856 -15.318 -3.876 0.801 1091 HA ASN 856 HA ASN 856 -16.086 -2.386 -1.589 1092 1HB ASN 856 HB2 ASN 856 -15.301 -1.605 1.229 1093 2HB ASN 856 HB3 ASN 856 -15.590 -0.439 -0.066 1094 1HD2 ASN 856 HD22 ASN 856 -17.158 -2.939 1.897 1095 2HD2 ASN 856 HD21 ASN 856 -18.780 -2.342 1.587 1096 H THR 857 H THR 857 -12.936 -2.760 0.121 1097 HA THR 857 HA THR 857 -11.778 -0.638 -1.476 1098 HB THR 857 HB THR 857 -9.704 -1.024 -0.243 1099 HG1 THR 857 HG1 THR 857 -11.192 -2.985 1.161 1100 1HG2 THR 857 HG21 THR 857 -12.174 -0.918 1.540 1101 2HG2 THR 857 HG22 THR 857 -10.536 -0.349 1.932 1102 3HG2 THR 857 HG23 THR 857 -11.468 0.448 0.651 1103 HA PRO 858 HA PRO 858 -9.285 -3.843 -3.908 1104 1HB PRO 858 HB2 PRO 858 -10.497 -6.027 -4.945 1105 2HB PRO 858 HB3 PRO 858 -9.912 -6.000 -3.259 1106 1HG PRO 858 HG2 PRO 858 -12.726 -5.482 -4.258 1107 2HG PRO 858 HG3 PRO 858 -12.207 -6.579 -2.941 1108 1HD PRO 858 HD2 PRO 858 -13.100 -4.018 -2.566 1109 2HD PRO 858 HD3 PRO 858 -11.927 -4.777 -1.452 1110 H SER 859 H SER 859 -11.852 -1.984 -4.487 1111 HA SER 859 HA SER 859 -12.278 -2.147 -7.330 1112 1HB SER 859 HB2 SER 859 -13.688 -0.898 -5.665 1113 2HB SER 859 HB3 SER 859 -12.387 0.304 -5.530 1114 HG SER 859 HG SER 859 -14.070 0.818 -7.091 1115 H MET 860 H MET 860 -11.588 -0.203 -8.744 1116 HA MET 860 HA MET 860 -8.865 -0.514 -9.351 1117 1HB MET 860 HB2 MET 860 -10.758 0.186 -10.866 1118 2HB MET 860 HB3 MET 860 -10.577 1.829 -10.236 1119 1HG MET 860 HG2 MET 860 -8.221 1.846 -11.016 1120 2HG MET 860 HG3 MET 860 -8.385 0.194 -11.602 1121 1HE MET 860 HE1 MET 860 -10.584 0.535 -14.777 1122 2HE MET 860 HE2 MET 860 -9.447 -0.489 -13.876 1123 3HE MET 860 HE3 MET 860 -11.021 -0.062 -13.165 1124 H GLN 861 H GLN 861 -10.211 1.749 -7.041 1125 HA GLN 861 HA GLN 861 -8.148 3.682 -6.899 1126 1HB GLN 861 HB2 GLN 861 -9.862 2.509 -4.676 1127 2HB GLN 861 HB3 GLN 861 -8.818 3.923 -4.511 1128 1HG GLN 861 HG2 GLN 861 -10.113 5.036 -6.376 1129 2HG GLN 861 HG3 GLN 861 -11.254 3.688 -6.324 1130 1HE2 GLN 861 HE22 GLN 861 -12.747 3.567 -4.499 1131 2HE2 GLN 861 HE21 GLN 861 -12.853 4.883 -3.335 1132 H ALA 862 H ALA 862 -8.002 0.303 -5.914 1133 HA ALA 862 HA ALA 862 -5.618 0.611 -4.266 1134 1HB ALA 862 HB1 ALA 862 -6.961 -1.835 -5.497 1135 2HB ALA 862 HB2 ALA 862 -5.681 -1.863 -4.265 1136 3HB ALA 862 HB3 ALA 862 -7.264 -1.165 -3.878 1137 H LEU 863 H LEU 863 -6.000 0.604 -7.706 1138 HA LEU 863 HA LEU 863 -3.125 0.048 -8.103 1139 1HB LEU 863 HB2 LEU 863 -3.452 -1.762 -9.626 1140 2HB LEU 863 HB3 LEU 863 -4.124 -2.172 -8.069 1141 HG LEU 863 HG LEU 863 -5.907 -1.170 -10.330 1142 1HD1 LEU 863 HD11 LEU 863 -5.109 -4.048 -9.733 1143 2HD1 LEU 863 HD12 LEU 863 -6.313 -3.517 -10.929 1144 3HD1 LEU 863 HD13 LEU 863 -4.607 -3.108 -11.158 1145 1HD2 LEU 863 HD21 LEU 863 -7.023 -1.302 -8.127 1146 2HD2 LEU 863 HD22 LEU 863 -7.607 -2.598 -9.165 1147 3HD2 LEU 863 HD23 LEU 863 -6.418 -2.953 -7.897 1148 H GLY 864 H GLY 864 -5.799 1.867 -9.275 1149 1HA GLY 864 HA2 GLY 864 -4.127 3.185 -11.152 1150 2HA GLY 864 HA3 GLY 864 -5.194 2.072 -12.014 1151 H GLU 865 H GLU 865 -6.410 3.724 -9.140 1152 HA GLU 865 HA GLU 865 -7.592 5.947 -10.677 1153 1HB GLU 865 HB2 GLU 865 -9.187 4.057 -10.875 1154 2HB GLU 865 HB3 GLU 865 -9.248 3.920 -9.125 1155 1HG GLU 865 HG2 GLU 865 -11.239 4.964 -10.023 1156 2HG GLU 865 HG3 GLU 865 -10.402 6.051 -8.941 1157 H SER 866 H SER 866 -8.707 7.501 -9.182 1158 HA SER 866 HA SER 866 -7.363 7.689 -6.508 1159 1HB SER 866 HB2 SER 866 -7.574 9.808 -8.687 1160 2HB SER 866 HB3 SER 866 -6.936 10.094 -7.065 1161 HG SER 866 HG SER 866 -5.286 8.553 -7.510 1162 HA PRO 867 HA PRO 867 -11.336 8.940 -5.067 1163 1HB PRO 867 HB2 PRO 867 -10.800 10.349 -2.798 1164 2HB PRO 867 HB3 PRO 867 -10.398 8.616 -2.971 1165 1HG PRO 867 HG2 PRO 867 -8.560 10.993 -3.432 1166 2HG PRO 867 HG3 PRO 867 -8.265 9.558 -2.393 1167 1HD PRO 867 HD2 PRO 867 -7.314 9.685 -4.929 1168 2HD PRO 867 HD3 PRO 867 -7.952 8.151 -4.266 1169 H GLU 868 H GLU 868 -9.352 11.306 -6.461 1170 HA GLU 868 HA GLU 868 -11.582 13.201 -6.753 1171 1HB GLU 868 HB2 GLU 868 -10.262 15.137 -6.103 1172 2HB GLU 868 HB3 GLU 868 -10.449 14.023 -4.754 1173 1HG GLU 868 HG2 GLU 868 -8.132 13.150 -5.183 1174 2HG GLU 868 HG3 GLU 868 -7.952 14.333 -6.479 1175 H SER 869 H SER 869 -11.216 14.801 -8.412 1176 HA SER 869 HA SER 869 -10.453 13.700 -10.863 1177 1HB SER 869 HB2 SER 869 -10.776 16.642 -10.171 1178 2HB SER 869 HB3 SER 869 -10.860 15.923 -11.790 1179 HG SER 869 HG SER 869 -12.967 16.186 -10.847
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