REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1khu_1_C DATA FIRST_RESID 269 DATA SEQUENCE KHWCSIVYYE LNNRVGEAFH ASSTSVLVDG FTDPSNNKNR FCLGLLSNVN DATA SEQUENCE RNSTIENTRR HIGKGVHLYY VGGEVYAECL SDSSIFVQSR NCNYHHGFHP DATA SEQUENCE TTVCKIPSGC SLKIFNNQEF AQLLAQSVNH GFETVYELTK MCTIRMSFVK DATA SEQUENCE GWGAEYHRQD VTSTPCWIEI HLHGPLQWLD KVLTQMGSPH NPISSVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 269 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 269 K C 0.000 176.712 176.600 0.187 0.000 0.988 269 K CA 0.000 56.316 56.287 0.048 0.000 0.838 269 K CB 0.000 32.483 32.500 -0.028 0.000 1.064 270 H N 2.714 121.865 119.070 0.134 0.000 4.160 270 H HA -0.019 4.536 4.556 -0.001 0.000 0.191 270 H C 1.085 176.427 175.328 0.023 0.000 1.546 270 H CA 0.093 56.161 56.048 0.032 0.000 1.415 270 H CB -0.801 29.012 29.762 0.085 0.000 1.703 270 H HN 0.504 8.784 8.280 -0.000 0.000 0.771 271 W N 1.061 122.318 121.300 -0.072 0.000 2.678 271 W HA 0.118 4.777 4.660 -0.001 0.000 0.256 271 W C -0.041 176.217 176.519 -0.435 0.000 1.280 271 W CA 0.141 57.335 57.345 -0.252 0.000 1.345 271 W CB -0.538 28.706 29.460 -0.361 0.000 1.118 271 W HN 0.392 8.572 8.180 -0.000 0.000 0.629 272 C N 0.426 119.177 119.300 -0.915 0.000 3.295 272 C HA 0.777 5.237 4.460 -0.001 0.000 0.341 272 C C -0.213 174.165 174.990 -1.021 0.000 1.418 272 C CA -0.434 57.947 59.018 -1.061 0.000 1.240 272 C CB 1.393 28.478 27.740 -1.092 0.000 1.562 272 C HN 0.327 8.557 8.230 -0.000 0.000 0.457 273 S N 0.019 115.276 115.700 -0.737 0.000 2.546 273 S HA 0.874 5.344 4.470 -0.001 0.000 0.274 273 S C -1.299 173.102 174.600 -0.331 0.000 1.121 273 S CA -0.572 57.274 58.200 -0.589 0.000 0.887 273 S CB 1.198 64.103 63.200 -0.491 0.000 1.094 273 S HN 0.963 9.273 8.310 -0.000 0.000 0.474 274 I N 1.479 121.888 120.570 -0.268 0.000 2.647 274 I HA 0.616 4.786 4.170 -0.001 0.000 0.295 274 I C -1.136 174.977 176.117 -0.008 0.000 1.078 274 I CA -1.162 60.109 61.300 -0.049 0.000 1.048 274 I CB 2.348 40.407 38.000 0.099 0.000 1.239 274 I HN 0.466 8.676 8.210 -0.000 0.000 0.421 275 V N 4.757 124.732 119.914 0.102 0.000 2.604 275 V HA 0.369 4.488 4.120 -0.001 0.000 0.305 275 V C -1.249 174.906 176.094 0.103 0.000 1.043 275 V CA -0.731 61.599 62.300 0.050 0.000 0.888 275 V CB 2.177 33.934 31.823 -0.110 0.000 0.995 275 V HN 0.513 8.703 8.190 -0.000 0.000 0.429 276 Y N 4.739 124.970 120.300 -0.116 0.000 2.360 276 Y HA 0.713 5.263 4.550 -0.001 0.000 0.337 276 Y C -1.285 174.345 175.900 -0.451 0.000 1.039 276 Y CA -1.304 56.670 58.100 -0.210 0.000 1.109 276 Y CB 1.357 39.717 38.460 -0.166 0.000 1.201 276 Y HN 0.570 8.850 8.280 -0.000 0.000 0.458 277 Y N 2.936 122.521 120.300 -1.191 0.000 2.512 277 Y HA 0.436 4.986 4.550 -0.001 0.000 0.348 277 Y C -0.693 174.525 175.900 -1.138 0.000 0.990 277 Y CA -1.104 56.282 58.100 -1.191 0.000 1.033 277 Y CB 2.127 39.645 38.460 -1.570 0.000 1.259 277 Y HN 0.473 8.753 8.280 -0.000 0.000 0.461 278 E N 4.629 124.542 120.200 -0.479 0.000 2.186 278 E HA 0.471 4.820 4.350 -0.001 0.000 0.255 278 E C -0.331 176.258 176.600 -0.019 0.000 0.881 278 E CA -0.226 56.031 56.400 -0.238 0.000 0.752 278 E CB 1.492 31.073 29.700 -0.197 0.000 1.176 278 E HN 0.680 9.040 8.360 -0.000 0.000 0.421 279 L N 1.708 123.006 121.223 0.124 0.000 5.671 279 L HA -0.424 3.915 4.340 -0.001 0.000 0.053 279 L C 1.303 178.319 176.870 0.243 0.000 3.008 279 L CA 1.836 56.765 54.840 0.148 0.000 1.404 279 L CB -1.062 41.026 42.059 0.047 0.000 3.019 279 L HN 0.681 8.911 8.230 -0.000 0.000 1.027 280 N N 0.604 119.382 118.700 0.130 0.000 2.230 280 N HA 0.075 4.815 4.740 -0.001 0.000 0.202 280 N C -0.222 175.395 175.510 0.179 0.000 1.119 280 N CA 0.137 53.272 53.050 0.142 0.000 0.851 280 N CB -0.158 38.364 38.487 0.057 0.000 0.990 280 N HN 0.590 8.970 8.380 -0.000 0.000 0.497 281 N N 0.458 119.243 118.700 0.143 0.000 2.362 281 N HA 0.222 4.962 4.740 -0.001 0.000 0.298 281 N C -0.977 174.532 175.510 -0.002 0.000 1.048 281 N CA -0.695 52.402 53.050 0.079 0.000 0.858 281 N CB 2.139 40.625 38.487 -0.002 0.000 1.218 281 N HN 0.020 8.400 8.380 -0.000 0.000 0.488 282 R N 1.777 122.195 120.500 -0.137 0.000 2.347 282 R HA 0.339 4.679 4.340 -0.001 0.000 0.304 282 R C -1.220 174.885 176.300 -0.324 0.000 1.072 282 R CA -0.205 55.577 56.100 -0.530 0.000 0.980 282 R CB 0.386 30.373 30.300 -0.522 0.000 0.986 282 R HN 0.321 8.591 8.270 -0.000 0.000 0.448 283 V N 4.054 123.760 119.914 -0.347 0.000 2.487 283 V HA 0.634 4.753 4.120 -0.001 0.000 0.298 283 V C 0.346 176.450 176.094 0.016 0.000 1.028 283 V CA -0.060 62.160 62.300 -0.134 0.000 0.860 283 V CB 1.282 33.037 31.823 -0.113 0.000 0.991 283 V HN 1.123 9.313 8.190 -0.000 0.000 0.427 284 G N 4.523 113.341 108.800 0.030 0.000 2.756 284 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.678 284 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.678 284 G C -0.646 174.289 174.900 0.058 0.000 1.349 284 G CA -0.505 44.645 45.100 0.084 0.000 0.847 284 G HN 0.778 9.068 8.290 -0.000 0.000 0.548 285 E N 0.011 120.260 120.200 0.081 0.000 2.345 285 E HA 0.571 4.921 4.350 -0.001 0.000 0.259 285 E C 0.820 177.424 176.600 0.007 0.000 1.117 285 E CA -0.211 56.206 56.400 0.029 0.000 0.913 285 E CB 0.970 30.684 29.700 0.025 0.000 1.057 285 E HN 1.169 9.529 8.360 -0.000 0.000 0.432 286 A N 1.741 124.516 122.820 -0.074 0.000 2.425 286 A HA 0.234 4.554 4.320 -0.001 0.000 0.249 286 A C -0.809 176.564 177.584 -0.352 0.000 1.084 286 A CA -0.126 51.783 52.037 -0.214 0.000 0.781 286 A CB -0.127 18.728 19.000 -0.242 0.000 1.019 286 A HN 0.546 8.696 8.150 -0.000 0.000 0.490 287 F N 2.035 121.505 119.950 -0.800 0.000 2.422 287 F HA 0.608 5.135 4.527 -0.000 0.000 0.333 287 F C -0.303 175.016 175.800 -0.800 0.000 1.095 287 F CA -0.447 57.026 58.000 -0.880 0.000 1.038 287 F CB 1.224 39.241 39.000 -1.639 0.000 1.156 287 F HN 0.649 8.949 8.300 -0.000 0.000 0.483 288 H N 4.244 122.445 119.070 -1.448 0.000 2.646 288 H HA 0.562 5.118 4.556 -0.000 0.000 0.328 288 H C -0.311 174.229 175.328 -1.314 0.000 0.998 288 H CA -0.578 54.826 56.048 -1.074 0.000 1.225 288 H CB 1.461 30.857 29.762 -0.610 0.000 1.457 288 H HN 0.864 9.144 8.280 -0.000 0.000 0.505 289 A N 2.206 124.544 122.820 -0.803 0.000 2.522 289 A HA 0.204 4.524 4.320 -0.001 0.000 0.256 289 A C 1.053 178.585 177.584 -0.087 0.000 1.086 289 A CA 0.413 52.235 52.037 -0.357 0.000 0.763 289 A CB -0.050 18.616 19.000 -0.558 0.000 1.024 289 A HN 0.851 9.001 8.150 -0.000 0.000 0.502 290 S N 1.019 116.753 115.700 0.058 0.000 2.554 290 S HA 0.407 4.876 4.470 -0.001 0.000 0.226 290 S C 0.402 175.138 174.600 0.227 0.000 0.980 290 S CA 0.364 58.653 58.200 0.148 0.000 0.939 290 S CB -0.550 62.703 63.200 0.089 0.000 0.832 290 S HN 1.783 10.093 8.310 -0.000 0.000 0.486 291 S N 0.183 116.082 115.700 0.332 0.000 2.656 291 S HA 0.471 4.940 4.470 -0.001 0.000 0.273 291 S C 0.570 175.501 174.600 0.553 0.000 1.168 291 S CA 0.059 58.474 58.200 0.359 0.000 0.817 291 S CB 0.699 64.074 63.200 0.292 0.000 1.146 291 S HN 0.337 8.647 8.310 -0.000 0.000 0.475 292 T N -1.573 113.204 114.554 0.372 0.000 3.088 292 T HA 0.232 4.581 4.350 -0.001 0.000 0.259 292 T C 0.674 175.630 174.700 0.426 0.000 1.122 292 T CA 0.731 62.967 62.100 0.226 0.000 1.095 292 T CB -0.221 68.620 68.868 -0.045 0.000 0.930 292 T HN 0.599 8.839 8.240 -0.000 0.000 0.508 293 S N 1.399 117.415 115.700 0.527 0.000 2.566 293 S HA 0.610 5.080 4.470 -0.001 0.000 0.324 293 S C -0.595 174.334 174.600 0.547 0.000 1.081 293 S CA -0.767 57.808 58.200 0.625 0.000 1.105 293 S CB 0.845 64.361 63.200 0.527 0.000 0.981 293 S HN 0.578 8.888 8.310 -0.000 0.000 0.464 294 V N 4.244 124.518 119.914 0.601 0.000 2.604 294 V HA 0.712 4.832 4.120 -0.001 0.000 0.305 294 V C -1.025 175.287 176.094 0.362 0.000 1.043 294 V CA -0.898 61.654 62.300 0.421 0.000 0.888 294 V CB 1.506 33.552 31.823 0.371 0.000 0.995 294 V HN 0.713 8.903 8.190 -0.000 0.000 0.429 295 L N 4.948 126.283 121.223 0.187 0.000 2.305 295 L HA 0.627 4.966 4.340 -0.001 0.000 0.284 295 L C -0.626 176.275 176.870 0.050 0.000 1.013 295 L CA -0.794 54.127 54.840 0.135 0.000 0.819 295 L CB 2.024 44.124 42.059 0.070 0.000 1.227 295 L HN 0.569 8.799 8.230 -0.000 0.000 0.417 296 V N 2.390 122.352 119.914 0.079 0.000 2.275 296 V HA 0.222 4.341 4.120 -0.001 0.000 0.272 296 V C -0.392 175.679 176.094 -0.039 0.000 1.028 296 V CA -0.597 61.704 62.300 0.001 0.000 0.810 296 V CB 0.831 32.720 31.823 0.110 0.000 1.043 296 V HN 0.827 9.017 8.190 -0.000 0.000 0.453 297 D N 2.929 123.244 120.400 -0.141 0.000 2.650 297 D HA 0.596 5.236 4.640 -0.001 0.000 0.255 297 D C 0.888 176.906 176.300 -0.470 0.000 1.135 297 D CA -0.346 53.519 54.000 -0.225 0.000 1.099 297 D CB 1.576 42.402 40.800 0.044 0.000 1.273 297 D HN 0.308 8.678 8.370 -0.000 0.000 0.628 298 G N -1.194 107.194 108.800 -0.686 0.000 3.805 298 G HA2 0.318 4.278 3.960 -0.001 0.000 0.290 298 G HA3 0.318 4.278 3.960 -0.001 0.000 0.290 298 G C -0.612 173.860 174.900 -0.713 0.000 1.077 298 G CA -0.374 44.293 45.100 -0.721 0.000 0.852 298 G HN 0.190 8.480 8.290 -0.000 0.000 0.531 299 F N 0.015 119.849 119.950 -0.192 0.000 2.390 299 F HA 0.503 5.030 4.527 -0.001 0.000 0.314 299 F C 1.619 177.346 175.800 -0.122 0.000 1.012 299 F CA -0.240 57.679 58.000 -0.135 0.000 1.122 299 F CB 0.593 39.531 39.000 -0.102 0.000 1.829 299 F HN -0.049 8.251 8.300 -0.000 0.000 0.557 300 T N -2.776 111.874 114.554 0.160 0.000 3.442 300 T HA 0.157 4.507 4.350 -0.001 0.000 0.295 300 T C -0.565 174.161 174.700 0.043 0.000 1.007 300 T CA -0.517 61.616 62.100 0.055 0.000 0.962 300 T CB -0.615 68.275 68.868 0.037 0.000 1.187 300 T HN 0.416 8.656 8.240 -0.000 0.000 0.490 301 D N 3.172 123.603 120.400 0.052 0.000 2.343 301 D HA 0.157 4.796 4.640 -0.001 0.000 0.255 301 D C -1.168 175.165 176.300 0.055 0.000 1.187 301 D CA -1.576 52.450 54.000 0.044 0.000 0.875 301 D CB 2.118 42.944 40.800 0.044 0.000 1.136 301 D HN 0.151 8.521 8.370 -0.000 0.000 0.469 302 P HA -0.024 4.396 4.420 -0.000 0.000 0.233 302 P C 0.141 177.485 177.300 0.072 0.000 1.167 302 P CA -0.025 63.108 63.100 0.056 0.000 0.770 302 P CB 0.332 32.054 31.700 0.038 0.000 0.837 303 S N 1.258 117.001 115.700 0.073 0.000 2.481 303 S HA 0.077 4.547 4.470 -0.001 0.000 0.282 303 S C 0.835 175.513 174.600 0.130 0.000 1.243 303 S CA -0.154 58.096 58.200 0.082 0.000 1.078 303 S CB -0.492 62.752 63.200 0.072 0.000 0.916 303 S HN 0.221 8.531 8.310 -0.000 0.000 0.495 304 N N 2.338 121.116 118.700 0.130 0.000 2.234 304 N HA 0.046 4.786 4.740 -0.001 0.000 0.227 304 N C 0.608 176.196 175.510 0.130 0.000 1.151 304 N CA -0.131 53.037 53.050 0.198 0.000 0.865 304 N CB 0.092 38.669 38.487 0.149 0.000 1.066 304 N HN 0.622 9.002 8.380 -0.000 0.000 0.515 305 N N 0.500 119.258 118.700 0.097 0.000 2.235 305 N HA -0.003 4.737 4.740 -0.001 0.000 0.209 305 N C 0.440 175.995 175.510 0.074 0.000 1.122 305 N CA -0.075 52.997 53.050 0.038 0.000 0.845 305 N CB 0.444 38.943 38.487 0.021 0.000 1.004 305 N HN 0.262 8.642 8.380 -0.000 0.000 0.499 306 K N 0.220 120.722 120.400 0.170 0.000 2.359 306 K HA 0.098 4.418 4.320 -0.001 0.000 0.315 306 K C 0.708 177.486 176.600 0.298 0.000 1.027 306 K CA -0.267 56.133 56.287 0.188 0.000 0.806 306 K CB -0.188 32.393 32.500 0.135 0.000 3.499 306 K HN -0.068 8.182 8.250 -0.000 0.000 1.216 307 N N 0.378 119.219 118.700 0.236 0.000 2.290 307 N HA -0.008 4.732 4.740 -0.001 0.000 0.179 307 N C -0.094 175.529 175.510 0.188 0.000 1.016 307 N CA 0.746 53.937 53.050 0.234 0.000 0.871 307 N CB 0.335 38.918 38.487 0.160 0.000 0.987 307 N HN 0.261 8.641 8.380 -0.000 0.000 0.431 308 R N -0.701 119.882 120.500 0.138 0.000 2.668 308 R HA 0.320 4.660 4.340 -0.001 0.000 0.279 308 R C -1.363 174.923 176.300 -0.023 0.000 0.976 308 R CA -0.753 55.372 56.100 0.041 0.000 0.978 308 R CB 1.264 31.600 30.300 0.060 0.000 1.133 308 R HN 0.055 8.325 8.270 -0.000 0.000 0.484 309 F N 2.623 122.340 119.950 -0.388 0.000 2.564 309 F HA 0.329 4.855 4.527 -0.000 0.000 0.368 309 F C -0.984 174.662 175.800 -0.256 0.000 1.127 309 F CA -1.805 55.914 58.000 -0.469 0.000 1.170 309 F CB 0.396 38.863 39.000 -0.889 0.000 1.397 309 F HN 0.457 8.757 8.300 -0.000 0.000 0.493 310 C N 6.035 125.314 119.300 -0.035 0.000 2.566 310 C HA 0.219 4.679 4.460 -0.001 0.000 0.393 310 C C 1.586 176.360 174.990 -0.360 0.000 1.309 310 C CA -0.516 58.396 59.018 -0.176 0.000 1.801 310 C CB 0.008 27.731 27.740 -0.027 0.000 2.493 310 C HN 0.685 8.915 8.230 -0.000 0.000 0.575 311 L N 3.367 124.260 121.223 -0.550 0.000 2.416 311 L HA 0.174 4.513 4.340 -0.001 0.000 0.216 311 L C 2.475 179.091 176.870 -0.423 0.000 1.098 311 L CA 1.273 55.701 54.840 -0.687 0.000 0.840 311 L CB -1.604 39.830 42.059 -1.043 0.000 0.981 311 L HN 0.947 9.177 8.230 -0.000 0.000 0.462 312 G N 1.003 109.607 108.800 -0.326 0.000 2.469 312 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.219 312 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.219 312 G C 1.510 176.333 174.900 -0.127 0.000 1.150 312 G CA 1.186 46.154 45.100 -0.219 0.000 0.763 312 G HN 0.511 8.801 8.290 -0.000 0.000 0.561 313 L N -0.867 120.300 121.223 -0.094 0.000 2.551 313 L HA 0.408 4.748 4.340 -0.001 0.000 0.228 313 L C 0.609 177.458 176.870 -0.034 0.000 1.153 313 L CA 0.027 54.840 54.840 -0.045 0.000 0.851 313 L CB -0.318 41.730 42.059 -0.018 0.000 0.959 313 L HN -0.044 8.186 8.230 -0.000 0.000 0.451 314 L N 1.277 122.468 121.223 -0.054 0.000 2.360 314 L HA 0.271 4.611 4.340 -0.001 0.000 0.276 314 L C 0.363 177.242 176.870 0.016 0.000 1.121 314 L CA -0.136 54.700 54.840 -0.007 0.000 0.845 314 L CB 0.807 42.871 42.059 0.007 0.000 1.143 314 L HN 0.149 8.379 8.230 -0.000 0.000 0.452 315 S N 3.163 118.874 115.700 0.018 0.000 2.616 315 S HA 0.344 4.814 4.470 -0.001 0.000 0.277 315 S C -0.284 174.325 174.600 0.016 0.000 1.234 315 S CA -0.769 57.439 58.200 0.013 0.000 1.028 315 S CB 1.275 64.478 63.200 0.006 0.000 0.988 315 S HN 0.717 9.027 8.310 -0.000 0.000 0.522 316 N N 0.669 119.373 118.700 0.008 0.000 2.549 316 N HA 0.194 4.934 4.740 -0.001 0.000 0.290 316 N C 0.368 175.876 175.510 -0.004 0.000 1.122 316 N CA -0.418 52.630 53.050 -0.003 0.000 0.885 316 N CB 1.283 39.765 38.487 -0.008 0.000 1.455 316 N HN 0.404 8.784 8.380 -0.000 0.000 0.521 317 V N 0.849 120.759 119.914 -0.007 0.000 3.141 317 V HA 0.021 4.140 4.120 -0.001 0.000 0.265 317 V C 0.726 176.818 176.094 -0.004 0.000 1.126 317 V CA 1.164 63.462 62.300 -0.005 0.000 1.141 317 V CB -0.647 31.173 31.823 -0.005 0.000 0.743 317 V HN 0.659 8.849 8.190 -0.000 0.000 0.492 318 N N 0.240 118.936 118.700 -0.007 0.000 2.235 318 N HA 0.200 4.940 4.740 -0.001 0.000 0.209 318 N C 0.656 176.165 175.510 -0.003 0.000 1.122 318 N CA -0.353 52.694 53.050 -0.005 0.000 0.845 318 N CB 0.302 38.785 38.487 -0.006 0.000 1.004 318 N HN 0.458 8.838 8.380 -0.000 0.000 0.499 319 R N 2.243 122.742 120.500 -0.002 0.000 2.543 319 R HA 0.088 4.427 4.340 -0.001 0.000 0.277 319 R C -0.313 175.990 176.300 0.006 0.000 1.074 319 R CA 0.128 56.230 56.100 0.003 0.000 1.076 319 R CB 0.335 30.639 30.300 0.006 0.000 0.993 319 R HN 0.347 8.617 8.270 -0.000 0.000 0.459 320 N N 0.628 119.334 118.700 0.010 0.000 2.545 320 N HA 0.127 4.866 4.740 -0.001 0.000 0.289 320 N C 0.474 175.993 175.510 0.016 0.000 1.279 320 N CA -0.578 52.479 53.050 0.011 0.000 0.824 320 N CB 1.570 40.064 38.487 0.011 0.000 1.395 320 N HN 0.561 8.941 8.380 -0.000 0.000 0.526 321 S N -0.054 115.655 115.700 0.016 0.000 2.377 321 S HA -0.351 4.119 4.470 -0.001 0.000 0.224 321 S C 2.054 176.670 174.600 0.027 0.000 1.042 321 S CA 2.416 60.628 58.200 0.019 0.000 1.086 321 S CB -1.547 61.664 63.200 0.019 0.000 0.995 321 S HN 0.841 9.151 8.310 -0.000 0.000 0.428 322 T N 1.479 116.050 114.554 0.029 0.000 2.685 322 T HA -0.124 4.226 4.350 -0.001 0.000 0.268 322 T C 1.734 176.461 174.700 0.046 0.000 1.034 322 T CA 1.749 63.872 62.100 0.037 0.000 1.149 322 T CB -0.823 68.064 68.868 0.032 0.000 0.860 322 T HN 0.495 8.735 8.240 -0.000 0.000 0.449 323 I N 0.409 121.002 120.570 0.040 0.000 2.202 323 I HA -0.074 4.096 4.170 -0.001 0.000 0.242 323 I C 2.779 178.925 176.117 0.049 0.000 1.091 323 I CA 1.757 63.086 61.300 0.049 0.000 1.368 323 I CB -0.416 37.606 38.000 0.037 0.000 1.058 323 I HN 0.334 8.544 8.210 -0.000 0.000 0.410 324 E N 1.268 121.488 120.200 0.033 0.000 2.160 324 E HA -0.272 4.078 4.350 -0.001 0.000 0.195 324 E C 1.831 178.447 176.600 0.027 0.000 0.991 324 E CA 1.583 57.994 56.400 0.019 0.000 0.810 324 E CB -0.287 29.418 29.700 0.009 0.000 0.742 324 E HN 0.396 8.756 8.360 -0.000 0.000 0.466 325 N N -1.430 117.301 118.700 0.052 0.000 2.120 325 N HA -0.138 4.601 4.740 -0.001 0.000 0.188 325 N C 1.282 176.886 175.510 0.157 0.000 1.024 325 N CA 1.725 54.830 53.050 0.093 0.000 0.852 325 N CB 0.013 38.556 38.487 0.093 0.000 1.003 325 N HN 0.166 8.546 8.380 -0.000 0.000 0.424 326 T N 0.531 115.158 114.554 0.122 0.000 2.867 326 T HA -0.010 4.340 4.350 -0.001 0.000 0.268 326 T C 1.828 176.581 174.700 0.089 0.000 1.057 326 T CA 0.726 62.911 62.100 0.142 0.000 1.136 326 T CB -0.115 68.828 68.868 0.126 0.000 0.874 326 T HN 0.265 8.505 8.240 -0.000 0.000 0.466 327 R N 0.819 121.333 120.500 0.024 0.000 2.120 327 R HA 0.078 4.418 4.340 -0.001 0.000 0.234 327 R C 2.594 178.801 176.300 -0.156 0.000 1.123 327 R CA 0.921 56.972 56.100 -0.081 0.000 0.975 327 R CB -0.111 30.149 30.300 -0.067 0.000 0.866 327 R HN 0.305 8.575 8.270 -0.000 0.000 0.446 328 R N -0.447 119.982 120.500 -0.119 0.000 2.237 328 R HA -0.060 4.279 4.340 -0.001 0.000 0.219 328 R C 0.999 177.086 176.300 -0.356 0.000 1.080 328 R CA 0.794 56.751 56.100 -0.237 0.000 0.995 328 R CB -0.005 30.152 30.300 -0.239 0.000 0.875 328 R HN 0.438 8.708 8.270 -0.000 0.000 0.462 329 H N -0.436 118.570 119.070 -0.106 0.000 2.586 329 H HA 0.174 4.730 4.556 -0.001 0.000 0.273 329 H C 1.797 177.047 175.328 -0.130 0.000 0.997 329 H CA 0.078 56.078 56.048 -0.081 0.000 1.177 329 H CB 0.526 30.282 29.762 -0.010 0.000 1.471 329 H HN 0.150 8.430 8.280 -0.000 0.000 0.538 330 I N 0.046 120.501 120.570 -0.192 0.000 2.202 330 I HA -0.136 4.034 4.170 -0.001 0.000 0.242 330 I C 2.014 177.932 176.117 -0.333 0.000 1.091 330 I CA 1.073 62.144 61.300 -0.382 0.000 1.368 330 I CB -0.240 37.306 38.000 -0.757 0.000 1.058 330 I HN 0.344 8.554 8.210 -0.000 0.000 0.410 331 G N 1.480 110.009 108.800 -0.451 0.000 2.591 331 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.298 331 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.298 331 G C 0.787 175.463 174.900 -0.373 0.000 1.195 331 G CA 0.647 45.482 45.100 -0.442 0.000 0.989 331 G HN 0.351 8.641 8.290 -0.000 0.000 0.551 332 K N 2.307 122.743 120.400 0.060 0.000 2.525 332 K HA 0.340 4.660 4.320 -0.001 0.000 0.192 332 K C 1.811 178.462 176.600 0.085 0.000 1.029 332 K CA 0.921 57.338 56.287 0.217 0.000 1.029 332 K CB -0.366 32.247 32.500 0.188 0.000 0.814 332 K HN 1.610 9.860 8.250 -0.000 0.000 0.503 333 G N 1.360 110.155 108.800 -0.008 0.000 2.581 333 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.291 333 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.291 333 G C -0.219 174.816 174.900 0.225 0.000 1.277 333 G CA -0.005 45.139 45.100 0.073 0.000 0.959 333 G HN 0.210 8.500 8.290 -0.000 0.000 0.554 334 V N 0.987 121.098 119.914 0.329 0.000 2.713 334 V HA 0.702 4.821 4.120 -0.001 0.000 0.307 334 V C 0.304 176.576 176.094 0.297 0.000 1.052 334 V CA 0.045 62.515 62.300 0.283 0.000 0.967 334 V CB 1.685 33.658 31.823 0.250 0.000 1.019 334 V HN 1.095 9.285 8.190 -0.000 0.000 0.459 335 H N 6.093 125.267 119.070 0.173 0.000 2.638 335 H HA 0.464 5.019 4.556 -0.001 0.000 0.317 335 H C -1.267 174.215 175.328 0.257 0.000 1.006 335 H CA -0.941 55.219 56.048 0.186 0.000 1.222 335 H CB 1.344 31.188 29.762 0.137 0.000 1.419 335 H HN 0.605 8.885 8.280 -0.000 0.000 0.489 336 L N 6.046 127.449 121.223 0.300 0.000 2.265 336 L HA 0.169 4.509 4.340 -0.001 0.000 0.288 336 L C -1.016 176.029 176.870 0.292 0.000 1.058 336 L CA -0.674 54.355 54.840 0.314 0.000 0.809 336 L CB 0.641 42.971 42.059 0.451 0.000 1.179 336 L HN 0.575 8.805 8.230 -0.000 0.000 0.429 337 Y N 4.233 124.519 120.300 -0.023 0.000 2.331 337 Y HA 0.304 4.854 4.550 -0.001 0.000 0.334 337 Y C -1.234 174.639 175.900 -0.044 0.000 0.960 337 Y CA -1.183 56.872 58.100 -0.076 0.000 1.130 337 Y CB 1.157 39.505 38.460 -0.187 0.000 1.164 337 Y HN 0.403 8.683 8.280 -0.000 0.000 0.458 338 Y N 6.798 126.614 120.300 -0.808 0.000 2.331 338 Y HA 0.690 5.239 4.550 -0.001 0.000 0.338 338 Y C -1.463 173.894 175.900 -0.905 0.000 0.976 338 Y CA -0.741 56.734 58.100 -1.042 0.000 1.137 338 Y CB 1.114 38.463 38.460 -1.852 0.000 1.172 338 Y HN 0.533 8.813 8.280 -0.000 0.000 0.478 339 V N 5.218 124.640 119.914 -0.820 0.000 2.966 339 V HA 0.485 4.605 4.120 -0.001 0.000 0.288 339 V C 0.015 175.866 176.094 -0.405 0.000 1.380 339 V CA 0.078 61.961 62.300 -0.695 0.000 0.966 339 V CB 1.443 32.864 31.823 -0.669 0.000 1.115 339 V HN 1.052 9.242 8.190 -0.000 0.000 0.436 340 G N 3.958 112.547 108.800 -0.352 0.000 2.283 340 G HA2 0.081 4.041 3.960 -0.001 0.000 0.280 340 G HA3 0.081 4.041 3.960 -0.001 0.000 0.280 340 G C 1.577 176.375 174.900 -0.169 0.000 1.029 340 G CA 1.243 46.226 45.100 -0.196 0.000 0.840 340 G HN 2.778 11.068 8.290 -0.000 0.000 0.505 341 G N -1.712 106.934 108.800 -0.256 0.000 2.153 341 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.252 341 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.252 341 G C -0.010 174.926 174.900 0.061 0.000 0.994 341 G CA 1.108 46.195 45.100 -0.022 0.000 0.698 341 G HN 1.148 9.438 8.290 -0.000 0.000 0.521 342 E N -1.002 119.171 120.200 -0.044 0.000 2.314 342 E HA 0.542 4.892 4.350 -0.001 0.000 0.272 342 E C -0.116 176.389 176.600 -0.159 0.000 0.884 342 E CA -0.712 55.613 56.400 -0.125 0.000 0.753 342 E CB 2.927 32.443 29.700 -0.307 0.000 1.213 342 E HN 0.698 9.058 8.360 -0.000 0.000 0.432 343 V N 0.237 120.078 119.914 -0.122 0.000 2.483 343 V HA 0.598 4.717 4.120 -0.001 0.000 0.295 343 V C -1.255 174.701 176.094 -0.230 0.000 1.035 343 V CA -0.431 61.817 62.300 -0.087 0.000 0.896 343 V CB 0.479 32.347 31.823 0.076 0.000 0.986 343 V HN 0.557 8.747 8.190 -0.000 0.000 0.447 344 Y N 2.649 123.013 120.300 0.108 0.000 2.468 344 Y HA 0.843 5.393 4.550 -0.001 0.000 0.342 344 Y C 0.451 176.423 175.900 0.120 0.000 1.021 344 Y CA -0.319 57.856 58.100 0.125 0.000 1.079 344 Y CB 2.360 40.909 38.460 0.148 0.000 1.226 344 Y HN 1.044 9.324 8.280 -0.000 0.000 0.460 345 A N 2.120 125.102 122.820 0.270 0.000 2.331 345 A HA 0.666 4.985 4.320 -0.001 0.000 0.320 345 A C -1.064 176.627 177.584 0.178 0.000 1.138 345 A CA -0.652 51.503 52.037 0.197 0.000 0.790 345 A CB 1.029 20.123 19.000 0.157 0.000 1.206 345 A HN 0.775 8.925 8.150 -0.000 0.000 0.470 346 E N 1.538 121.843 120.200 0.176 0.000 2.224 346 E HA 0.377 4.726 4.350 -0.001 0.000 0.265 346 E C -1.255 175.448 176.600 0.172 0.000 0.878 346 E CA -0.516 55.985 56.400 0.168 0.000 0.759 346 E CB 1.542 31.359 29.700 0.195 0.000 1.164 346 E HN 0.699 9.059 8.360 -0.000 0.000 0.414 347 C N 7.058 126.433 119.300 0.125 0.000 2.252 347 C HA 0.265 4.725 4.460 -0.001 0.000 0.342 347 C C 0.957 176.015 174.990 0.113 0.000 1.110 347 C CA -0.452 58.637 59.018 0.119 0.000 1.581 347 C CB -1.603 26.181 27.740 0.073 0.000 2.087 347 C HN 0.805 9.035 8.230 -0.000 0.000 0.500 348 L N 4.493 125.794 121.223 0.131 0.000 2.446 348 L HA 0.147 4.487 4.340 -0.001 0.000 0.219 348 L C 1.843 178.771 176.870 0.097 0.000 1.116 348 L CA 0.955 55.858 54.840 0.104 0.000 0.844 348 L CB -0.827 41.293 42.059 0.101 0.000 0.970 348 L HN 0.712 8.942 8.230 -0.000 0.000 0.457 349 S N -0.486 115.279 115.700 0.108 0.000 2.589 349 S HA -0.038 4.432 4.470 -0.001 0.000 0.265 349 S C 1.039 175.692 174.600 0.088 0.000 1.342 349 S CA -0.388 57.867 58.200 0.091 0.000 1.005 349 S CB 0.473 63.739 63.200 0.111 0.000 0.909 349 S HN 0.258 8.568 8.310 -0.000 0.000 0.555 350 D N 1.157 121.609 120.400 0.087 0.000 2.347 350 D HA 0.151 4.791 4.640 -0.001 0.000 0.213 350 D C 0.178 176.534 176.300 0.095 0.000 0.985 350 D CA 0.535 54.588 54.000 0.088 0.000 0.879 350 D CB 0.181 41.039 40.800 0.095 0.000 0.919 350 D HN 0.313 8.683 8.370 -0.000 0.000 0.526 351 S N -0.439 115.328 115.700 0.112 0.000 2.638 351 S HA 0.383 4.853 4.470 -0.001 0.000 0.298 351 S C 0.393 175.059 174.600 0.111 0.000 1.111 351 S CA -0.668 57.601 58.200 0.114 0.000 1.027 351 S CB 2.397 65.679 63.200 0.136 0.000 1.064 351 S HN -0.077 8.233 8.310 -0.000 0.000 0.525 352 S N 0.791 116.543 115.700 0.087 0.000 2.617 352 S HA 0.438 4.908 4.470 -0.001 0.000 0.255 352 S C -0.072 174.518 174.600 -0.017 0.000 1.318 352 S CA -0.242 57.936 58.200 -0.037 0.000 0.978 352 S CB 0.101 63.188 63.200 -0.188 0.000 0.961 352 S HN 0.530 8.840 8.310 -0.000 0.000 0.582 353 I N 0.103 120.512 120.570 -0.269 0.000 2.894 353 I HA 0.455 4.625 4.170 -0.001 0.000 0.302 353 I C -1.798 174.020 176.117 -0.498 0.000 1.188 353 I CA -0.609 60.618 61.300 -0.121 0.000 1.014 353 I CB 1.799 39.802 38.000 0.005 0.000 1.242 353 I HN 0.428 8.637 8.210 -0.000 0.000 0.430 354 F N 4.476 124.459 119.950 0.055 0.000 2.518 354 F HA 0.610 5.136 4.527 -0.001 0.000 0.323 354 F C -0.450 175.389 175.800 0.064 0.000 1.129 354 F CA -0.810 57.201 58.000 0.019 0.000 0.920 354 F CB 1.872 40.855 39.000 -0.030 0.000 1.160 354 F HN -0.142 8.158 8.300 -0.000 0.000 0.440 355 V N 2.721 122.686 119.914 0.085 0.000 2.540 355 V HA 0.483 4.603 4.120 -0.001 0.000 0.302 355 V C -0.736 175.372 176.094 0.022 0.000 1.035 355 V CA -0.873 61.489 62.300 0.103 0.000 0.873 355 V CB 1.767 33.639 31.823 0.081 0.000 0.992 355 V HN 0.764 8.954 8.190 -0.000 0.000 0.428 356 Q N 2.576 122.449 119.800 0.122 0.000 2.341 356 Q HA 0.632 4.972 4.340 -0.001 0.000 0.268 356 Q C -0.851 175.230 176.000 0.135 0.000 1.013 356 Q CA -0.182 55.676 55.803 0.092 0.000 0.798 356 Q CB 1.645 30.509 28.738 0.209 0.000 1.253 356 Q HN 0.835 9.105 8.270 -0.000 0.000 0.457 357 S N 4.016 119.782 115.700 0.110 0.000 2.737 357 S HA 0.330 4.800 4.470 -0.001 0.000 0.269 357 S C 0.337 175.023 174.600 0.144 0.000 1.150 357 S CA -0.551 57.727 58.200 0.130 0.000 1.077 357 S CB 0.878 64.162 63.200 0.141 0.000 1.075 357 S HN 0.892 9.202 8.310 -0.000 0.000 0.476 358 R N 3.255 123.847 120.500 0.155 0.000 2.094 358 R HA -0.188 4.151 4.340 -0.001 0.000 0.239 358 R C 2.089 178.518 176.300 0.214 0.000 1.137 358 R CA 2.310 58.515 56.100 0.175 0.000 0.943 358 R CB -0.625 29.774 30.300 0.165 0.000 0.850 358 R HN 0.786 9.056 8.270 -0.000 0.000 0.433 359 N N 0.326 119.172 118.700 0.243 0.000 2.037 359 N HA -0.251 4.488 4.740 -0.001 0.000 0.196 359 N C 1.882 177.498 175.510 0.177 0.000 1.034 359 N CA 1.994 55.162 53.050 0.197 0.000 0.861 359 N CB -0.437 38.162 38.487 0.187 0.000 1.039 359 N HN 0.291 8.671 8.380 -0.000 0.000 0.427 360 C N 0.318 119.715 119.300 0.162 0.000 2.429 360 C HA -0.002 4.458 4.460 -0.001 0.000 0.277 360 C C 2.261 177.299 174.990 0.080 0.000 1.262 360 C CA 1.263 60.361 59.018 0.134 0.000 1.733 360 C CB -1.869 25.900 27.740 0.048 0.000 2.010 360 C HN 0.552 8.782 8.230 -0.000 0.000 0.483 361 N N -1.625 117.104 118.700 0.048 0.000 2.166 361 N HA -0.168 4.572 4.740 -0.001 0.000 0.186 361 N C 1.678 177.205 175.510 0.029 0.000 1.019 361 N CA 1.577 54.617 53.050 -0.016 0.000 0.856 361 N CB -0.334 38.223 38.487 0.118 0.000 0.993 361 N HN 0.707 9.087 8.380 -0.000 0.000 0.426 362 Y N 1.114 121.429 120.300 0.025 0.000 2.133 362 Y HA -0.246 4.304 4.550 -0.000 0.000 0.287 362 Y C 2.649 178.564 175.900 0.024 0.000 1.134 362 Y CA 1.793 59.913 58.100 0.033 0.000 1.133 362 Y CB -0.538 37.957 38.460 0.058 0.000 0.987 362 Y HN 0.138 8.418 8.280 -0.000 0.000 0.502 363 H N -1.136 118.061 119.070 0.211 0.000 2.387 363 H HA -0.180 4.376 4.556 -0.001 0.000 0.299 363 H C 1.618 176.872 175.328 -0.124 0.000 1.099 363 H CA 2.643 58.728 56.048 0.062 0.000 1.315 363 H CB -0.291 29.486 29.762 0.025 0.000 1.380 363 H HN 0.449 8.729 8.280 -0.000 0.000 0.513 364 H N -1.770 117.047 119.070 -0.422 0.000 2.544 364 H HA 0.239 4.795 4.556 -0.001 0.000 0.269 364 H C 1.771 176.855 175.328 -0.407 0.000 0.970 364 H CA 0.840 56.499 56.048 -0.648 0.000 1.219 364 H CB 0.478 29.410 29.762 -1.384 0.000 1.421 364 H HN 0.557 8.837 8.280 -0.000 0.000 0.555 365 G N -0.426 108.269 108.800 -0.174 0.000 2.175 365 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.244 365 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.244 365 G C 0.330 175.357 174.900 0.213 0.000 0.982 365 G CA -0.034 45.052 45.100 -0.023 0.000 0.641 365 G HN 0.371 8.661 8.290 -0.000 0.000 0.527 366 F N 0.360 120.330 119.950 0.034 0.000 2.456 366 F HA 0.349 4.875 4.527 -0.001 0.000 0.306 366 F C 1.473 177.304 175.800 0.053 0.000 1.278 366 F CA -0.688 57.339 58.000 0.045 0.000 1.264 366 F CB 0.259 39.286 39.000 0.045 0.000 1.253 366 F HN 0.070 8.370 8.300 -0.000 0.000 0.554 367 H N 2.083 121.274 119.070 0.202 0.000 2.582 367 H HA 0.121 4.676 4.556 -0.001 0.000 0.345 367 H C -1.922 173.471 175.328 0.108 0.000 1.104 367 H CA -2.030 54.078 56.048 0.101 0.000 1.390 367 H CB 1.626 31.419 29.762 0.051 0.000 1.461 367 H HN 0.118 8.398 8.280 -0.000 0.000 0.551 368 P HA -0.212 4.208 4.420 -0.000 0.000 0.220 368 P C 1.188 178.630 177.300 0.237 0.000 1.155 368 P CA 2.973 66.130 63.100 0.094 0.000 0.880 368 P CB -0.020 31.650 31.700 -0.050 0.000 0.790 369 T N -6.213 108.597 114.554 0.427 0.000 3.148 369 T HA 0.054 4.404 4.350 -0.001 0.000 0.253 369 T C 0.626 175.380 174.700 0.090 0.000 1.134 369 T CA 0.030 62.259 62.100 0.214 0.000 1.051 369 T CB -1.305 67.649 68.868 0.143 0.000 0.959 369 T HN -0.044 8.196 8.240 -0.000 0.000 0.525 370 T N 2.820 117.460 114.554 0.144 0.000 2.905 370 T HA 0.271 4.620 4.350 -0.001 0.000 0.299 370 T C -0.061 174.615 174.700 -0.039 0.000 1.024 370 T CA -0.109 62.028 62.100 0.062 0.000 1.151 370 T CB 0.625 69.623 68.868 0.216 0.000 0.987 370 T HN 0.152 8.392 8.240 -0.000 0.000 0.535 371 V N 4.010 123.819 119.914 -0.176 0.000 2.347 371 V HA 0.240 4.360 4.120 -0.001 0.000 0.280 371 V C 0.253 176.282 176.094 -0.108 0.000 1.021 371 V CA -0.874 61.227 62.300 -0.332 0.000 0.847 371 V CB 1.138 32.486 31.823 -0.793 0.000 0.990 371 V HN 1.033 9.223 8.190 -0.000 0.000 0.444 372 C N 5.579 124.852 119.300 -0.045 0.000 2.285 372 C HA 0.395 4.855 4.460 -0.001 0.000 0.335 372 C C 0.570 175.543 174.990 -0.028 0.000 1.267 372 C CA -0.932 58.094 59.018 0.013 0.000 1.762 372 C CB 0.258 28.017 27.740 0.030 0.000 2.365 372 C HN 0.902 9.132 8.230 -0.000 0.000 0.527 373 K N 3.706 124.078 120.400 -0.046 0.000 2.276 373 K HA 0.495 4.815 4.320 -0.001 0.000 0.283 373 K C -0.866 175.592 176.600 -0.237 0.000 1.044 373 K CA -0.077 56.015 56.287 -0.324 0.000 0.944 373 K CB 0.393 32.766 32.500 -0.211 0.000 1.012 373 K HN 0.706 8.956 8.250 -0.000 0.000 0.472 374 I N 7.553 127.940 120.570 -0.305 0.000 2.428 374 I HA 0.237 4.406 4.170 -0.001 0.000 0.279 374 I C -2.172 173.862 176.117 -0.137 0.000 1.040 374 I CA -2.683 58.537 61.300 -0.134 0.000 1.171 374 I CB 1.480 39.445 38.000 -0.059 0.000 1.312 374 I HN 0.496 8.706 8.210 -0.000 0.000 0.470 375 P HA -0.071 4.349 4.420 -0.000 0.000 0.269 375 P C 0.069 177.365 177.300 -0.007 0.000 1.211 375 P CA -0.007 63.064 63.100 -0.048 0.000 0.781 375 P CB 0.520 32.212 31.700 -0.013 0.000 0.877 376 S N 1.452 117.161 115.700 0.015 0.000 2.555 376 S HA 0.300 4.770 4.470 -0.001 0.000 0.293 376 S C 1.332 175.957 174.600 0.041 0.000 1.248 376 S CA 0.891 59.115 58.200 0.040 0.000 1.096 376 S CB -1.743 61.487 63.200 0.050 0.000 0.881 376 S HN 0.871 9.181 8.310 -0.000 0.000 0.498 377 G N 3.379 112.209 108.800 0.051 0.000 2.157 377 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.239 377 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.239 377 G C 0.399 175.326 174.900 0.046 0.000 0.982 377 G CA -0.017 45.112 45.100 0.048 0.000 0.650 377 G HN 0.877 9.167 8.290 -0.000 0.000 0.527 378 C N -0.390 118.937 119.300 0.046 0.000 2.352 378 C HA 0.947 5.407 4.460 -0.001 0.000 0.387 378 C C 0.943 175.972 174.990 0.066 0.000 1.294 378 C CA 0.282 59.328 59.018 0.048 0.000 2.137 378 C CB 1.604 29.366 27.740 0.037 0.000 2.146 378 C HN 0.799 9.029 8.230 -0.000 0.000 0.559 379 S N -0.111 115.635 115.700 0.076 0.000 2.546 379 S HA 0.797 5.267 4.470 -0.001 0.000 0.274 379 S C -1.817 172.869 174.600 0.143 0.000 1.121 379 S CA -0.384 57.881 58.200 0.108 0.000 0.887 379 S CB 1.279 64.529 63.200 0.084 0.000 1.094 379 S HN 0.652 8.962 8.310 -0.000 0.000 0.474 380 L N 3.691 125.030 121.223 0.193 0.000 2.505 380 L HA 0.563 4.902 4.340 -0.001 0.000 0.266 380 L C -0.747 176.283 176.870 0.266 0.000 0.954 380 L CA -0.347 54.618 54.840 0.208 0.000 0.852 380 L CB 1.844 43.979 42.059 0.126 0.000 1.282 380 L HN 0.772 9.002 8.230 -0.000 0.000 0.403 381 K N 5.410 125.983 120.400 0.290 0.000 2.378 381 K HA 0.263 4.582 4.320 -0.001 0.000 0.288 381 K C 0.769 177.388 176.600 0.030 0.000 1.057 381 K CA 0.011 56.322 56.287 0.041 0.000 0.971 381 K CB 0.363 32.842 32.500 -0.034 0.000 0.975 381 K HN 0.814 9.064 8.250 -0.000 0.000 0.475 382 I N 1.422 122.001 120.570 0.015 0.000 4.018 382 I HA 0.341 4.511 4.170 -0.001 0.000 0.337 382 I C -0.563 175.668 176.117 0.191 0.000 1.327 382 I CA -0.439 60.920 61.300 0.099 0.000 1.100 382 I CB 0.212 38.287 38.000 0.126 0.000 1.025 382 I HN 0.326 8.536 8.210 -0.000 0.000 0.396 383 F N 1.793 121.684 119.950 -0.098 0.000 2.635 383 F HA 0.474 5.000 4.527 -0.001 0.000 0.314 383 F C -1.572 174.164 175.800 -0.108 0.000 1.119 383 F CA -1.016 56.940 58.000 -0.073 0.000 1.000 383 F CB 1.791 40.762 39.000 -0.047 0.000 1.278 383 F HN -0.031 8.269 8.300 -0.000 0.000 0.446 384 N N 3.285 121.469 118.700 -0.859 0.000 2.577 384 N HA 0.248 4.987 4.740 -0.001 0.000 0.275 384 N C -0.269 174.858 175.510 -0.640 0.000 1.091 384 N CA -0.534 52.199 53.050 -0.528 0.000 0.843 384 N CB 0.678 38.917 38.487 -0.413 0.000 1.295 384 N HN 0.553 8.933 8.380 -0.000 0.000 0.530 385 N N 1.784 120.358 118.700 -0.209 0.000 2.309 385 N HA -0.207 4.533 4.740 -0.001 0.000 0.182 385 N C 1.380 177.008 175.510 0.197 0.000 1.018 385 N CA 0.573 53.769 53.050 0.244 0.000 0.876 385 N CB -0.045 38.961 38.487 0.865 0.000 0.972 385 N HN 0.531 8.911 8.380 -0.000 0.000 0.434 386 Q N 1.181 120.996 119.800 0.025 0.000 2.061 386 Q HA -0.199 4.141 4.340 -0.001 0.000 0.204 386 Q C 1.296 177.259 176.000 -0.061 0.000 0.984 386 Q CA 1.756 57.535 55.803 -0.040 0.000 0.846 386 Q CB -0.143 28.555 28.738 -0.067 0.000 0.902 386 Q HN 0.644 8.914 8.270 -0.000 0.000 0.421 387 E N -0.873 119.268 120.200 -0.099 0.000 2.208 387 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 387 E C 1.757 178.293 176.600 -0.106 0.000 0.988 387 E CA 0.693 57.025 56.400 -0.114 0.000 0.828 387 E CB -0.242 29.369 29.700 -0.147 0.000 0.763 387 E HN 0.337 8.697 8.360 -0.000 0.000 0.478 388 F N 1.615 121.466 119.950 -0.165 0.000 2.163 388 F HA -0.058 4.468 4.527 -0.001 0.000 0.297 388 F C 2.234 178.053 175.800 0.032 0.000 1.094 388 F CA 1.185 59.157 58.000 -0.046 0.000 1.290 388 F CB -0.118 38.960 39.000 0.129 0.000 1.017 388 F HN -0.054 8.246 8.300 -0.000 0.000 0.483 389 A N 0.119 122.951 122.820 0.021 0.000 1.908 389 A HA -0.275 4.044 4.320 -0.001 0.000 0.218 389 A C 2.257 179.714 177.584 -0.212 0.000 1.181 389 A CA 1.890 53.855 52.037 -0.120 0.000 0.627 389 A CB -1.081 17.824 19.000 -0.158 0.000 0.818 389 A HN 0.622 8.771 8.150 -0.000 0.000 0.445 390 Q N -0.962 118.734 119.800 -0.174 0.000 2.050 390 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 390 Q C 1.985 177.866 176.000 -0.197 0.000 0.980 390 Q CA 1.247 56.957 55.803 -0.154 0.000 0.840 390 Q CB -0.161 28.509 28.738 -0.114 0.000 0.898 390 Q HN 0.509 8.779 8.270 -0.000 0.000 0.424 391 L N 0.643 121.693 121.223 -0.290 0.000 2.046 391 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 391 L C 2.405 179.085 176.870 -0.318 0.000 1.077 391 L CA 1.202 55.847 54.840 -0.325 0.000 0.747 391 L CB -1.129 40.667 42.059 -0.438 0.000 0.896 391 L HN 0.385 8.615 8.230 -0.000 0.000 0.432 392 L N 0.099 121.046 121.223 -0.460 0.000 2.046 392 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 392 L C 2.596 179.363 176.870 -0.172 0.000 1.077 392 L CA 2.060 56.688 54.840 -0.353 0.000 0.747 392 L CB -0.769 41.048 42.059 -0.404 0.000 0.896 392 L HN 0.183 8.413 8.230 -0.000 0.000 0.432 393 A N -1.166 121.561 122.820 -0.155 0.000 1.877 393 A HA -0.264 4.055 4.320 -0.001 0.000 0.216 393 A C 2.186 179.733 177.584 -0.063 0.000 1.186 393 A CA 1.758 53.740 52.037 -0.092 0.000 0.620 393 A CB -0.678 18.268 19.000 -0.090 0.000 0.822 393 A HN 0.634 8.784 8.150 -0.000 0.000 0.443 394 Q N 0.130 119.889 119.800 -0.068 0.000 2.297 394 Q HA -0.136 4.203 4.340 -0.001 0.000 0.208 394 Q C 1.932 177.940 176.000 0.014 0.000 0.981 394 Q CA 1.655 57.442 55.803 -0.027 0.000 0.876 394 Q CB -0.187 28.538 28.738 -0.021 0.000 0.921 394 Q HN 0.832 9.102 8.270 -0.000 0.000 0.446 395 S N -0.998 114.701 115.700 -0.002 0.000 2.524 395 S HA 0.047 4.516 4.470 -0.001 0.000 0.215 395 S C 1.634 176.258 174.600 0.039 0.000 0.986 395 S CA 0.087 58.315 58.200 0.047 0.000 0.911 395 S CB 0.329 63.529 63.200 0.001 0.000 0.805 395 S HN 0.205 8.515 8.310 -0.000 0.000 0.501 396 V N 3.149 123.067 119.914 0.007 0.000 2.511 396 V HA -0.235 3.884 4.120 -0.001 0.000 0.257 396 V C -0.070 176.048 176.094 0.040 0.000 1.088 396 V CA 2.229 64.536 62.300 0.012 0.000 1.098 396 V CB -0.949 30.873 31.823 -0.001 0.000 0.674 396 V HN 0.904 9.094 8.190 -0.000 0.000 0.470 397 N N -1.234 117.500 118.700 0.056 0.000 2.710 397 N HA 0.287 5.027 4.740 -0.001 0.000 0.244 397 N C -0.447 175.137 175.510 0.124 0.000 1.321 397 N CA -0.302 52.791 53.050 0.072 0.000 0.758 397 N CB 0.207 38.715 38.487 0.036 0.000 1.284 397 N HN 0.500 8.880 8.380 -0.000 0.000 0.530 398 H N 0.528 119.615 119.070 0.028 0.000 3.514 398 H HA 0.370 4.925 4.556 -0.001 0.000 0.268 398 H C -0.301 175.057 175.328 0.050 0.000 1.134 398 H CA -0.194 55.873 56.048 0.031 0.000 1.071 398 H CB 0.230 30.004 29.762 0.021 0.000 2.519 398 H HN 0.763 9.043 8.280 -0.000 0.000 0.792 399 G N 0.439 109.343 108.800 0.173 0.000 2.742 399 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.686 399 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.686 399 G C -0.427 174.567 174.900 0.157 0.000 1.220 399 G CA -0.223 44.963 45.100 0.143 0.000 0.783 399 G HN 0.158 8.448 8.290 -0.000 0.000 0.646 400 F N 0.716 120.701 119.950 0.059 0.000 2.325 400 F HA 0.106 4.633 4.527 -0.001 0.000 0.299 400 F C 2.143 178.012 175.800 0.115 0.000 1.090 400 F CA 2.202 60.244 58.000 0.070 0.000 1.392 400 F CB 0.179 39.208 39.000 0.048 0.000 1.053 400 F HN 0.730 9.030 8.300 -0.000 0.000 0.521 401 E N -0.295 120.105 120.200 0.333 0.000 2.051 401 E HA -0.225 4.125 4.350 -0.001 0.000 0.192 401 E C 2.167 178.822 176.600 0.092 0.000 0.991 401 E CA 2.038 58.588 56.400 0.251 0.000 0.799 401 E CB -0.186 29.616 29.700 0.170 0.000 0.748 401 E HN 0.520 8.880 8.360 -0.000 0.000 0.449 402 T N -1.520 113.044 114.554 0.016 0.000 2.951 402 T HA -0.069 4.281 4.350 -0.001 0.000 0.268 402 T C 1.902 176.583 174.700 -0.032 0.000 1.073 402 T CA 0.961 63.033 62.100 -0.046 0.000 1.134 402 T CB -0.071 68.705 68.868 -0.153 0.000 0.884 402 T HN 0.093 8.333 8.240 -0.000 0.000 0.479 403 V N 0.063 119.950 119.914 -0.045 0.000 2.488 403 V HA 0.037 4.157 4.120 -0.001 0.000 0.246 403 V C 2.073 178.141 176.094 -0.043 0.000 1.046 403 V CA 1.016 63.274 62.300 -0.069 0.000 1.053 403 V CB -0.720 31.031 31.823 -0.120 0.000 0.679 403 V HN 0.689 8.879 8.190 -0.000 0.000 0.458 404 Y N 0.168 120.288 120.300 -0.300 0.000 2.274 404 Y HA -0.198 4.351 4.550 -0.000 0.000 0.290 404 Y C 2.628 178.483 175.900 -0.074 0.000 1.145 404 Y CA 1.425 59.371 58.100 -0.256 0.000 1.203 404 Y CB 0.242 38.549 38.460 -0.256 0.000 0.984 404 Y HN 0.309 8.589 8.280 -0.000 0.000 0.533 405 E N 0.875 121.067 120.200 -0.013 0.000 2.160 405 E HA -0.205 4.145 4.350 -0.001 0.000 0.195 405 E C 2.039 178.645 176.600 0.010 0.000 0.991 405 E CA 0.970 57.331 56.400 -0.066 0.000 0.810 405 E CB -0.349 29.329 29.700 -0.037 0.000 0.742 405 E HN 0.584 8.944 8.360 -0.000 0.000 0.466 406 L N 0.802 122.068 121.223 0.072 0.000 2.549 406 L HA -0.129 4.210 4.340 -0.001 0.000 0.230 406 L C 2.133 179.137 176.870 0.224 0.000 1.162 406 L CA 0.776 55.720 54.840 0.175 0.000 0.834 406 L CB -0.577 41.591 42.059 0.181 0.000 0.947 406 L HN 0.080 8.310 8.230 -0.000 0.000 0.452 407 T N -0.492 114.146 114.554 0.140 0.000 2.720 407 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 407 T C 1.882 176.605 174.700 0.038 0.000 1.037 407 T CA 1.220 63.387 62.100 0.112 0.000 1.144 407 T CB -0.073 68.871 68.868 0.128 0.000 0.864 407 T HN 0.356 8.596 8.240 -0.000 0.000 0.444 408 K N 0.865 121.279 120.400 0.023 0.000 2.074 408 K HA -0.056 4.263 4.320 -0.001 0.000 0.209 408 K C 2.390 178.999 176.600 0.014 0.000 1.048 408 K CA 1.283 57.571 56.287 0.003 0.000 0.926 408 K CB -0.269 32.238 32.500 0.012 0.000 0.713 408 K HN 0.282 8.532 8.250 -0.000 0.000 0.444 409 M N 0.337 119.993 119.600 0.093 0.000 2.195 409 M HA -0.211 4.268 4.480 -0.001 0.000 0.260 409 M C 2.230 178.504 176.300 -0.044 0.000 1.066 409 M CA 1.270 56.657 55.300 0.146 0.000 1.089 409 M CB -1.008 31.820 32.600 0.380 0.000 1.377 409 M HN 0.279 8.569 8.290 -0.000 0.000 0.411 410 C N 0.624 119.818 119.300 -0.176 0.000 2.472 410 C HA -0.007 4.453 4.460 -0.001 0.000 0.278 410 C C 1.706 176.453 174.990 -0.405 0.000 1.447 410 C CA 0.593 59.376 59.018 -0.393 0.000 1.773 410 C CB -1.337 26.221 27.740 -0.304 0.000 1.793 410 C HN 0.564 8.794 8.230 -0.000 0.000 0.544 411 T N -0.982 113.378 114.554 -0.323 0.000 2.888 411 T HA 0.764 5.114 4.350 -0.001 0.000 0.284 411 T C -0.871 173.720 174.700 -0.183 0.000 1.017 411 T CA -0.424 61.441 62.100 -0.391 0.000 1.022 411 T CB 1.639 70.215 68.868 -0.486 0.000 1.013 411 T HN 0.187 8.427 8.240 -0.000 0.000 0.465 412 I N 1.449 121.946 120.570 -0.122 0.000 2.647 412 I HA 0.536 4.705 4.170 -0.001 0.000 0.295 412 I C -0.078 176.096 176.117 0.094 0.000 1.078 412 I CA -1.128 60.176 61.300 0.007 0.000 1.048 412 I CB 2.475 40.479 38.000 0.006 0.000 1.239 412 I HN 0.548 8.758 8.210 -0.000 0.000 0.421 413 R N 6.584 127.191 120.500 0.180 0.000 2.750 413 R HA 0.874 5.213 4.340 -0.001 0.000 0.281 413 R C -1.116 175.390 176.300 0.343 0.000 0.972 413 R CA -0.929 55.332 56.100 0.268 0.000 0.912 413 R CB 2.582 33.017 30.300 0.224 0.000 1.187 413 R HN 0.678 8.948 8.270 -0.000 0.000 0.464 414 M N -1.072 118.707 119.600 0.298 0.000 2.365 414 M HA 0.411 4.891 4.480 -0.001 0.000 0.288 414 M C -1.072 175.309 176.300 0.135 0.000 1.152 414 M CA -0.782 54.693 55.300 0.293 0.000 0.948 414 M CB 2.319 34.992 32.600 0.121 0.000 1.729 414 M HN 0.586 8.876 8.290 -0.000 0.000 0.487 415 S N 1.561 117.414 115.700 0.255 0.000 2.718 415 S HA 0.886 5.355 4.470 -0.001 0.000 0.300 415 S C -0.950 173.690 174.600 0.066 0.000 1.117 415 S CA -0.607 57.676 58.200 0.139 0.000 1.002 415 S CB 1.165 64.481 63.200 0.193 0.000 1.092 415 S HN 0.569 8.879 8.310 -0.000 0.000 0.542 416 F N 0.312 120.432 119.950 0.284 0.000 2.450 416 F HA 0.569 5.095 4.527 -0.001 0.000 0.332 416 F C 1.260 177.204 175.800 0.239 0.000 1.093 416 F CA -0.668 57.474 58.000 0.237 0.000 1.003 416 F CB 1.351 40.441 39.000 0.150 0.000 1.151 416 F HN 0.490 8.790 8.300 -0.000 0.000 0.474 417 V N -1.009 119.179 119.914 0.455 0.000 0.465 417 V HA -0.390 3.730 4.120 -0.001 0.000 0.092 417 V C 0.385 176.650 176.094 0.285 0.000 2.474 417 V CA 1.695 64.197 62.300 0.338 0.000 3.680 417 V CB -1.257 30.687 31.823 0.202 0.000 0.959 417 V HN 0.733 8.923 8.190 -0.000 0.000 1.006 418 K N 2.114 122.584 120.400 0.116 0.000 2.267 418 K HA 0.543 4.863 4.320 -0.001 0.000 0.282 418 K C 0.506 176.631 176.600 -0.792 0.000 1.078 418 K CA 0.722 56.887 56.287 -0.203 0.000 0.903 418 K CB 0.933 33.373 32.500 -0.100 0.000 1.111 418 K HN 0.596 8.846 8.250 -0.000 0.000 0.475 419 G N 2.250 109.954 108.800 -1.827 0.000 2.699 419 G HA2 0.212 4.172 3.960 -0.001 0.000 0.246 419 G HA3 0.212 4.172 3.960 -0.001 0.000 0.246 419 G C -0.549 173.513 174.900 -1.397 0.000 1.219 419 G CA -0.289 42.914 45.100 -3.162 0.000 0.866 419 G HN 0.733 9.023 8.290 -0.000 0.000 0.572 420 W N -0.752 119.908 121.300 -1.066 0.000 3.005 420 W HA 0.618 5.278 4.660 -0.001 0.000 0.343 420 W C 0.310 176.752 176.519 -0.128 0.000 1.243 420 W CA -0.183 56.910 57.345 -0.420 0.000 1.186 420 W CB 0.351 29.586 29.460 -0.375 0.000 1.453 420 W HN 1.899 10.079 8.180 -0.000 0.000 0.575 421 G N 0.852 109.709 108.800 0.095 0.000 2.642 421 G HA2 0.327 4.286 3.960 -0.001 0.000 0.231 421 G HA3 0.327 4.286 3.960 -0.001 0.000 0.231 421 G C 0.182 175.081 174.900 -0.001 0.000 1.338 421 G CA 0.348 45.419 45.100 -0.048 0.000 0.883 421 G HN 2.089 10.379 8.290 -0.000 0.000 0.570 422 A N -0.930 121.855 122.820 -0.058 0.000 2.475 422 A HA 0.527 4.847 4.320 -0.001 0.000 0.239 422 A C 1.457 179.023 177.584 -0.030 0.000 1.087 422 A CA 1.795 53.802 52.037 -0.051 0.000 0.779 422 A CB -0.100 18.842 19.000 -0.095 0.000 1.036 422 A HN 1.897 10.047 8.150 -0.000 0.000 0.506 423 E N -2.834 117.307 120.200 -0.098 0.000 4.028 423 E HA -0.217 4.132 4.350 -0.001 0.000 0.343 423 E C -0.964 175.301 176.600 -0.558 0.000 0.700 423 E CA 2.009 58.259 56.400 -0.250 0.000 1.288 423 E CB -1.987 27.600 29.700 -0.188 0.000 1.677 423 E HN 0.654 9.014 8.360 -0.000 0.000 0.424 424 Y N -1.517 118.754 120.300 -0.049 0.000 2.689 424 Y HA 0.325 4.874 4.550 -0.001 0.000 0.333 424 Y C 1.423 177.351 175.900 0.047 0.000 1.190 424 Y CA -0.335 57.750 58.100 -0.024 0.000 1.063 424 Y CB 0.764 39.173 38.460 -0.085 0.000 1.294 424 Y HN -0.052 8.228 8.280 -0.000 0.000 0.466 425 H N 0.704 119.852 119.070 0.130 0.000 2.276 425 H HA 0.204 4.760 4.556 -0.001 0.000 0.307 425 H C 0.024 175.387 175.328 0.059 0.000 1.061 425 H CA 0.506 56.589 56.048 0.058 0.000 1.336 425 H CB 0.251 30.038 29.762 0.042 0.000 1.396 425 H HN 0.492 8.772 8.280 -0.000 0.000 0.503 426 R N 1.592 122.065 120.500 -0.045 0.000 2.537 426 R HA -0.079 4.261 4.340 -0.001 0.000 0.281 426 R C 0.971 177.271 176.300 0.001 0.000 0.988 426 R CA 0.160 56.179 56.100 -0.135 0.000 1.077 426 R CB 0.609 30.854 30.300 -0.093 0.000 0.932 426 R HN 0.597 8.867 8.270 -0.000 0.000 0.409 427 Q N 0.808 120.588 119.800 -0.034 0.000 2.462 427 Q HA 0.038 4.377 4.340 -0.001 0.000 0.224 427 Q C 0.143 176.207 176.000 0.106 0.000 0.911 427 Q CA 0.636 56.471 55.803 0.054 0.000 0.925 427 Q CB 0.226 28.962 28.738 -0.005 0.000 1.063 427 Q HN 0.581 8.851 8.270 -0.000 0.000 0.572 428 D N 0.890 121.236 120.400 -0.090 0.000 2.264 428 D HA 0.046 4.686 4.640 -0.001 0.000 0.249 428 D C 0.737 176.652 176.300 -0.642 0.000 1.070 428 D CA -0.168 53.670 54.000 -0.270 0.000 0.912 428 D CB 2.475 43.118 40.800 -0.261 0.000 1.193 428 D HN -0.181 8.189 8.370 -0.000 0.000 0.427 429 V N 3.231 122.453 119.914 -1.154 0.000 2.970 429 V HA -0.154 3.966 4.120 -0.001 0.000 0.260 429 V C 1.984 177.160 176.094 -1.530 0.000 1.100 429 V CA 2.327 63.506 62.300 -1.867 0.000 1.122 429 V CB -0.410 29.983 31.823 -2.384 0.000 0.721 429 V HN 0.786 8.976 8.190 -0.000 0.000 0.483 430 T N -3.420 110.530 114.554 -1.007 0.000 3.252 430 T HA 0.016 4.365 4.350 -0.001 0.000 0.250 430 T C 1.511 176.034 174.700 -0.295 0.000 1.123 430 T CA 0.983 62.773 62.100 -0.518 0.000 1.006 430 T CB 0.136 68.825 68.868 -0.298 0.000 0.992 430 T HN 0.380 8.620 8.240 -0.000 0.000 0.547 431 S N 1.351 116.823 115.700 -0.379 0.000 2.523 431 S HA 0.197 4.666 4.470 -0.001 0.000 0.217 431 S C 0.905 175.392 174.600 -0.188 0.000 0.996 431 S CA -0.086 57.974 58.200 -0.233 0.000 0.921 431 S CB -0.136 62.923 63.200 -0.234 0.000 0.829 431 S HN 0.813 9.123 8.310 -0.000 0.000 0.495 432 T N 0.406 114.814 114.554 -0.243 0.000 2.907 432 T HA 0.494 4.844 4.350 -0.001 0.000 0.284 432 T C -1.845 172.887 174.700 0.053 0.000 1.004 432 T CA -1.678 60.354 62.100 -0.114 0.000 1.063 432 T CB 1.609 70.372 68.868 -0.176 0.000 0.992 432 T HN -0.053 8.187 8.240 -0.000 0.000 0.483 433 P HA 0.195 4.615 4.420 -0.000 0.000 0.231 433 P C -0.204 177.192 177.300 0.159 0.000 1.168 433 P CA -0.006 63.159 63.100 0.109 0.000 0.779 433 P CB 0.048 31.798 31.700 0.083 0.000 0.844 434 C N 1.923 121.382 119.300 0.265 0.000 2.919 434 C HA 0.446 4.905 4.460 -0.001 0.000 0.337 434 C C -0.583 174.708 174.990 0.500 0.000 1.039 434 C CA -0.848 58.409 59.018 0.398 0.000 1.373 434 C CB 0.022 28.060 27.740 0.497 0.000 1.843 434 C HN 0.377 8.607 8.230 -0.000 0.000 0.493 435 W N 3.732 125.115 121.300 0.139 0.000 3.033 435 W HA 0.863 5.522 4.660 -0.001 0.000 0.336 435 W C -1.359 175.245 176.519 0.140 0.000 1.173 435 W CA -1.389 55.961 57.345 0.009 0.000 1.185 435 W CB 0.669 29.987 29.460 -0.236 0.000 1.425 435 W HN 0.616 8.796 8.180 -0.000 0.000 0.536 436 I N -0.633 120.040 120.570 0.170 0.000 3.108 436 I HA 0.773 4.942 4.170 -0.001 0.000 0.312 436 I C -1.231 175.036 176.117 0.251 0.000 1.095 436 I CA -1.106 60.272 61.300 0.131 0.000 1.000 436 I CB 2.614 40.726 38.000 0.188 0.000 1.229 436 I HN 0.563 8.773 8.210 -0.000 0.000 0.454 437 E N 2.728 123.067 120.200 0.231 0.000 2.246 437 E HA 0.619 4.969 4.350 -0.001 0.000 0.266 437 E C -1.752 174.968 176.600 0.199 0.000 0.880 437 E CA -0.685 55.879 56.400 0.274 0.000 0.762 437 E CB 2.214 32.146 29.700 0.387 0.000 1.180 437 E HN 0.649 9.009 8.360 -0.000 0.000 0.416 438 I N 3.672 124.306 120.570 0.107 0.000 2.378 438 I HA 0.303 4.473 4.170 -0.001 0.000 0.291 438 I C -0.760 175.316 176.117 -0.068 0.000 0.992 438 I CA -0.876 60.435 61.300 0.019 0.000 1.154 438 I CB 1.327 39.303 38.000 -0.040 0.000 1.315 438 I HN 0.543 8.753 8.210 -0.000 0.000 0.448 439 H N 5.993 124.972 119.070 -0.153 0.000 2.519 439 H HA 0.380 4.936 4.556 -0.001 0.000 0.316 439 H C -0.764 174.431 175.328 -0.222 0.000 1.065 439 H CA -0.538 55.429 56.048 -0.134 0.000 1.264 439 H CB 1.179 30.924 29.762 -0.027 0.000 1.413 439 H HN 0.248 8.528 8.280 -0.000 0.000 0.465 440 L N 4.786 125.859 121.223 -0.251 0.000 2.295 440 L HA 0.099 4.438 4.340 -0.001 0.000 0.288 440 L C 1.391 178.130 176.870 -0.218 0.000 1.079 440 L CA 0.492 55.118 54.840 -0.356 0.000 0.830 440 L CB -0.319 41.325 42.059 -0.692 0.000 1.200 440 L HN 0.886 9.116 8.230 -0.000 0.000 0.438 441 H N 2.780 121.680 119.070 -0.284 0.000 2.321 441 H HA -0.144 4.412 4.556 -0.001 0.000 0.300 441 H C 1.803 176.890 175.328 -0.402 0.000 1.087 441 H CA 0.982 56.881 56.048 -0.249 0.000 1.319 441 H CB 0.485 30.167 29.762 -0.133 0.000 1.379 441 H HN 0.829 9.109 8.280 -0.000 0.000 0.501 442 G N 1.605 110.171 108.800 -0.390 0.000 2.511 442 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.216 442 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.216 442 G C -0.791 173.057 174.900 -1.754 0.000 1.218 442 G CA 0.775 45.322 45.100 -0.922 0.000 0.788 442 G HN 0.322 8.612 8.290 -0.000 0.000 0.560 443 P HA -0.090 4.330 4.420 -0.000 0.000 0.216 443 P C 2.108 179.145 177.300 -0.439 0.000 1.153 443 P CA 0.818 63.355 63.100 -0.939 0.000 0.858 443 P CB -0.141 30.989 31.700 -0.950 0.000 0.789 444 L N -1.074 119.910 121.223 -0.398 0.000 2.083 444 L HA -0.224 4.116 4.340 -0.001 0.000 0.209 444 L C 2.784 179.592 176.870 -0.103 0.000 1.083 444 L CA 1.565 56.306 54.840 -0.164 0.000 0.752 444 L CB -0.679 41.303 42.059 -0.127 0.000 0.899 444 L HN 0.042 8.272 8.230 -0.000 0.000 0.433 445 Q N -0.634 119.034 119.800 -0.220 0.000 2.046 445 Q HA -0.204 4.136 4.340 -0.001 0.000 0.200 445 Q C 2.164 178.216 176.000 0.086 0.000 0.975 445 Q CA 1.610 57.352 55.803 -0.102 0.000 0.836 445 Q CB -0.081 28.571 28.738 -0.144 0.000 0.896 445 Q HN 0.455 8.725 8.270 -0.000 0.000 0.428 446 W N 0.443 121.821 121.300 0.130 0.000 2.363 446 W HA -0.154 4.506 4.660 -0.001 0.000 0.296 446 W C 1.966 178.573 176.519 0.148 0.000 1.212 446 W CA 0.277 57.711 57.345 0.148 0.000 1.260 446 W CB -1.106 28.483 29.460 0.215 0.000 1.131 446 W HN 0.304 8.484 8.180 -0.000 0.000 0.530 447 L N 1.186 122.641 121.223 0.387 0.000 2.201 447 L HA -0.165 4.175 4.340 -0.001 0.000 0.212 447 L C 1.863 178.824 176.870 0.151 0.000 1.105 447 L CA 2.426 57.434 54.840 0.280 0.000 0.775 447 L CB -1.047 41.197 42.059 0.307 0.000 0.913 447 L HN -0.140 8.090 8.230 -0.000 0.000 0.440 448 D N -0.941 119.534 120.400 0.125 0.000 2.123 448 D HA -0.193 4.447 4.640 -0.001 0.000 0.200 448 D C 2.050 178.400 176.300 0.084 0.000 0.976 448 D CA 0.960 55.005 54.000 0.076 0.000 0.831 448 D CB 0.144 40.973 40.800 0.049 0.000 0.974 448 D HN 0.080 8.450 8.370 -0.000 0.000 0.469 449 K N -0.200 120.272 120.400 0.119 0.000 2.074 449 K HA -0.094 4.226 4.320 -0.001 0.000 0.209 449 K C 2.031 178.683 176.600 0.086 0.000 1.048 449 K CA 0.882 57.233 56.287 0.107 0.000 0.926 449 K CB -0.596 31.987 32.500 0.138 0.000 0.713 449 K HN 0.105 8.355 8.250 -0.000 0.000 0.444 450 V N 0.602 120.569 119.914 0.088 0.000 2.302 450 V HA -0.149 3.971 4.120 -0.001 0.000 0.243 450 V C 2.161 178.279 176.094 0.041 0.000 1.036 450 V CA 1.350 63.685 62.300 0.059 0.000 1.020 450 V CB -0.441 31.410 31.823 0.047 0.000 0.657 450 V HN 0.211 8.401 8.190 -0.000 0.000 0.453 451 L N 0.879 122.106 121.223 0.007 0.000 2.129 451 L HA -0.218 4.121 4.340 -0.001 0.000 0.212 451 L C 2.760 179.688 176.870 0.096 0.000 1.087 451 L CA 2.196 57.010 54.840 -0.043 0.000 0.757 451 L CB -1.013 40.965 42.059 -0.135 0.000 0.896 451 L HN 0.646 8.876 8.230 -0.000 0.000 0.434 452 T N -4.166 110.436 114.554 0.081 0.000 2.851 452 T HA -0.179 4.170 4.350 -0.001 0.000 0.262 452 T C 1.773 176.532 174.700 0.098 0.000 1.043 452 T CA 0.656 62.810 62.100 0.091 0.000 1.140 452 T CB -0.216 68.689 68.868 0.062 0.000 0.872 452 T HN 0.317 8.557 8.240 -0.000 0.000 0.446 453 Q N 0.387 120.239 119.800 0.087 0.000 2.170 453 Q HA 0.109 4.449 4.340 -0.001 0.000 0.203 453 Q C 2.210 178.274 176.000 0.107 0.000 0.976 453 Q CA 1.335 57.188 55.803 0.084 0.000 0.858 453 Q CB -0.317 28.461 28.738 0.068 0.000 0.907 453 Q HN 0.573 8.843 8.270 -0.000 0.000 0.433 454 M N -0.357 119.323 119.600 0.132 0.000 2.541 454 M HA 0.104 4.584 4.480 -0.001 0.000 0.252 454 M C 0.739 177.182 176.300 0.238 0.000 1.125 454 M CA -0.007 55.401 55.300 0.180 0.000 1.091 454 M CB 0.175 32.899 32.600 0.206 0.000 1.420 454 M HN 0.089 8.379 8.290 -0.000 0.000 0.486 455 G N 1.159 110.093 108.800 0.224 0.000 2.934 455 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.327 455 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.327 455 G C 0.745 175.682 174.900 0.062 0.000 0.225 455 G CA 0.640 45.849 45.100 0.183 0.000 1.220 455 G HN 0.405 8.695 8.290 -0.000 0.000 0.267 456 S N 2.624 118.222 115.700 -0.171 0.000 2.419 456 S HA -0.040 4.430 4.470 -0.001 0.000 0.235 456 S C 0.547 175.037 174.600 -0.183 0.000 1.019 456 S CA 1.354 59.307 58.200 -0.411 0.000 0.982 456 S CB -0.409 62.190 63.200 -1.002 0.000 0.789 456 S HN 0.810 9.120 8.310 -0.000 0.000 0.490 457 P HA 0.513 4.933 4.420 -0.000 0.000 0.325 457 P C -1.326 176.058 177.300 0.141 0.000 1.298 457 P CA -0.286 62.811 63.100 -0.004 0.000 0.771 457 P CB 0.703 32.390 31.700 -0.023 0.000 1.389 458 H N -1.384 117.665 119.070 -0.034 0.000 3.155 458 H HA 0.440 4.996 4.556 -0.000 0.000 0.328 458 H C -1.139 174.181 175.328 -0.015 0.000 1.059 458 H CA -0.331 55.706 56.048 -0.019 0.000 1.378 458 H CB 0.493 30.244 29.762 -0.017 0.000 1.998 458 H HN 0.299 8.579 8.280 -0.000 0.000 0.480 459 N N 4.893 123.467 118.700 -0.210 0.000 3.719 459 N HA 0.030 4.770 4.740 -0.001 0.000 0.126 459 N C -2.095 173.317 175.510 -0.164 0.000 1.099 459 N CA -0.428 52.541 53.050 -0.135 0.000 2.167 459 N CB 0.678 39.132 38.487 -0.055 0.000 1.595 459 N HN 0.461 8.841 8.380 -0.000 0.000 0.734 460 P HA -0.199 4.221 4.420 -0.000 0.000 0.232 460 P C 0.501 177.743 177.300 -0.096 0.000 1.135 460 P CA 1.640 64.630 63.100 -0.183 0.000 0.969 460 P CB 0.247 31.851 31.700 -0.160 0.000 0.777 461 I N -6.610 113.918 120.570 -0.070 0.000 3.343 461 I HA 0.500 4.670 4.170 -0.001 0.000 0.315 461 I C -0.290 175.805 176.117 -0.036 0.000 1.153 461 I CA -1.432 59.841 61.300 -0.044 0.000 0.952 461 I CB 1.181 39.161 38.000 -0.033 0.000 1.287 461 I HN -0.255 7.955 8.210 -0.000 0.000 0.472 462 S N 0.557 116.242 115.700 -0.026 0.000 2.617 462 S HA 0.379 4.848 4.470 -0.001 0.000 0.269 462 S C 0.956 175.546 174.600 -0.017 0.000 1.292 462 S CA 0.305 58.492 58.200 -0.021 0.000 1.010 462 S CB 0.664 63.854 63.200 -0.017 0.000 0.944 462 S HN 0.908 9.218 8.310 -0.000 0.000 0.536 463 S N 2.079 117.770 115.700 -0.015 0.000 2.523 463 S HA 0.160 4.629 4.470 -0.001 0.000 0.217 463 S C 0.961 175.556 174.600 -0.009 0.000 0.996 463 S CA 0.107 58.300 58.200 -0.012 0.000 0.921 463 S CB 0.139 63.333 63.200 -0.010 0.000 0.829 463 S HN 0.492 8.802 8.310 -0.000 0.000 0.495 464 V N 1.647 121.555 119.914 -0.010 0.000 2.908 464 V HA 0.202 4.322 4.120 -0.001 0.000 0.240 464 V C 1.555 177.644 176.094 -0.008 0.000 1.117 464 V CA 0.782 63.077 62.300 -0.008 0.000 1.133 464 V CB -0.194 31.624 31.823 -0.008 0.000 0.857 464 V HN 0.650 8.840 8.190 -0.000 0.000 0.478 465 S N 0.000 115.695 115.700 -0.009 0.000 2.498 465 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 465 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 465 S CB 0.000 63.194 63.200 -0.009 0.000 0.593 465 S HN 0.000 8.310 8.310 -0.000 0.000 0.517