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 3h9z_1_A DATA FIRST_RESID 336 DATA SEQUENCE VSAYLSRPSP FDLFIRKSPT ITcLVVDLAP SKGTVQLTWS RASGKPVQHS DATA SEQUENCE TRKEEKQRNG TLTVTSTLPV GTRDWIEGET YQcRVTHPHL PRALMRSTTK DATA SEQUENCE TSGPRAAPEV YAFATPEWPG SRDKRTLAcL IQNFMPEDIS VQWLHNEVQL DATA SEQUENCE PDARHSTTQP RKTKGSGFFV FSRLEVTRAE WEQKDEFIcR AVHEAASPSQ DATA SEQUENCE TVQRAVSVN 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 336 V HA 0.000 nan 4.120 nan 0.000 0.244 336 V C 0.000 176.025 176.094 -0.114 0.000 1.182 336 V CA 0.000 62.234 62.300 -0.109 0.000 1.235 336 V CB 0.000 31.718 31.823 -0.176 0.000 1.184 337 S N 3.372 118.997 115.700 -0.125 0.000 2.548 337 S HA 0.993 5.463 4.470 -0.000 0.000 0.286 337 S C -0.554 173.821 174.600 -0.375 0.000 1.098 337 S CA -0.038 58.013 58.200 -0.247 0.000 0.930 337 S CB 2.427 65.483 63.200 -0.240 0.000 1.070 337 S HN 2.000 10.310 8.310 -0.000 0.000 0.480 338 A N 2.009 124.509 122.820 -0.534 0.000 2.401 338 A HA 0.855 5.175 4.320 -0.000 0.000 0.310 338 A C -1.756 175.464 177.584 -0.607 0.000 1.075 338 A CA -0.773 51.010 52.037 -0.422 0.000 0.746 338 A CB 0.870 19.744 19.000 -0.210 0.000 1.277 338 A HN 0.882 9.032 8.150 -0.000 0.000 0.425 339 Y N 0.477 120.782 120.300 0.009 0.000 2.504 339 Y HA 0.603 5.153 4.550 -0.000 0.000 0.344 339 Y C -0.700 175.225 175.900 0.042 0.000 1.023 339 Y CA -0.864 57.251 58.100 0.025 0.000 1.020 339 Y CB 2.329 40.805 38.460 0.026 0.000 1.282 339 Y HN 0.580 8.860 8.280 -0.000 0.000 0.454 340 L N 3.644 125.000 121.223 0.220 0.000 2.372 340 L HA 0.680 5.020 4.340 -0.000 0.000 0.274 340 L C -0.381 176.599 176.870 0.184 0.000 0.988 340 L CA -0.578 54.380 54.840 0.197 0.000 0.833 340 L CB 1.325 43.496 42.059 0.185 0.000 1.236 340 L HN 0.649 8.879 8.230 -0.000 0.000 0.410 341 S N 4.481 120.271 115.700 0.149 0.000 2.617 341 S HA 0.735 5.205 4.470 -0.000 0.000 0.283 341 S C 0.107 174.731 174.600 0.039 0.000 1.189 341 S CA -0.862 57.387 58.200 0.082 0.000 1.036 341 S CB 1.492 64.711 63.200 0.032 0.000 1.014 341 S HN 0.673 8.983 8.310 -0.000 0.000 0.522 342 R N 0.945 121.455 120.500 0.018 0.000 2.560 342 R HA 0.427 4.767 4.340 -0.000 0.000 0.270 342 R C -2.488 173.643 176.300 -0.282 0.000 1.074 342 R CA -1.812 54.231 56.100 -0.094 0.000 1.140 342 R CB -0.130 30.223 30.300 0.088 0.000 1.073 342 R HN 0.467 8.737 8.270 -0.000 0.000 0.527 343 P HA -0.041 4.379 4.420 -0.000 0.000 0.269 343 P C -0.586 176.510 177.300 -0.341 0.000 1.209 343 P CA -0.118 62.654 63.100 -0.547 0.000 0.776 343 P CB 0.633 31.807 31.700 -0.876 0.000 0.876 344 S N 2.654 118.214 115.700 -0.234 0.000 2.549 344 S HA 0.186 4.656 4.470 -0.000 0.000 0.279 344 S C -1.704 172.810 174.600 -0.143 0.000 1.321 344 S CA -0.751 57.378 58.200 -0.118 0.000 1.054 344 S CB 0.270 63.461 63.200 -0.016 0.000 0.899 344 S HN 0.230 8.540 8.310 -0.000 0.000 0.497 345 P HA -0.145 4.275 4.420 -0.000 0.000 0.216 345 P C 1.243 178.598 177.300 0.092 0.000 1.153 345 P CA 0.899 64.013 63.100 0.023 0.000 0.858 345 P CB -0.120 31.692 31.700 0.187 0.000 0.789 346 F N 1.463 121.402 119.950 -0.020 0.000 2.043 346 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 346 F C 1.704 177.464 175.800 -0.066 0.000 1.118 346 F CA 1.911 59.902 58.000 -0.015 0.000 1.202 346 F CB -1.170 37.816 39.000 -0.024 0.000 0.965 346 F HN -0.135 8.165 8.300 -0.000 0.000 0.482 347 D N 0.201 120.423 120.400 -0.297 0.000 2.123 347 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 347 D C 2.274 178.323 176.300 -0.417 0.000 0.992 347 D CA 1.426 55.159 54.000 -0.446 0.000 0.833 347 D CB -0.661 39.969 40.800 -0.283 0.000 0.954 347 D HN 0.341 8.711 8.370 -0.000 0.000 0.455 348 L N -0.679 120.279 121.223 -0.442 0.000 2.005 348 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 348 L C 1.891 178.442 176.870 -0.532 0.000 1.072 348 L CA 1.664 56.143 54.840 -0.601 0.000 0.744 348 L CB -0.507 40.998 42.059 -0.923 0.000 0.895 348 L HN -0.031 8.199 8.230 -0.000 0.000 0.433 349 F N -1.960 117.920 119.950 -0.117 0.000 2.505 349 F HA 0.065 4.592 4.527 -0.000 0.000 0.289 349 F C 1.978 177.723 175.800 -0.091 0.000 1.101 349 F CA -0.142 57.814 58.000 -0.074 0.000 1.446 349 F CB 0.013 38.992 39.000 -0.033 0.000 1.123 349 F HN -0.042 8.258 8.300 -0.000 0.000 0.564 350 I N 0.258 120.838 120.570 0.017 0.000 2.522 350 I HA -0.010 4.160 4.170 -0.000 0.000 0.240 350 I C 2.107 178.108 176.117 -0.193 0.000 1.078 350 I CA 1.144 62.413 61.300 -0.052 0.000 1.422 350 I CB -1.329 36.691 38.000 0.032 0.000 1.188 350 I HN 0.030 8.240 8.210 -0.000 0.000 0.442 351 R N 1.102 121.342 120.500 -0.433 0.000 2.236 351 R HA 0.005 4.345 4.340 -0.000 0.000 0.208 351 R C 0.313 176.468 176.300 -0.242 0.000 1.036 351 R CA 0.087 55.965 56.100 -0.370 0.000 1.001 351 R CB -0.064 29.915 30.300 -0.536 0.000 0.896 351 R HN 0.286 8.556 8.270 -0.000 0.000 0.464 352 K N 0.903 121.164 120.400 -0.233 0.000 3.035 352 K HA -0.135 4.185 4.320 -0.000 0.000 0.262 352 K C -0.723 175.768 176.600 -0.182 0.000 1.024 352 K CA 0.978 57.159 56.287 -0.176 0.000 0.748 352 K CB -1.394 31.045 32.500 -0.102 0.000 1.247 352 K HN 0.356 8.606 8.250 -0.000 0.000 0.482 353 S N -0.702 114.859 115.700 -0.232 0.000 2.204 353 S HA 0.330 4.800 4.470 -0.000 0.000 0.147 353 S C -2.166 172.277 174.600 -0.261 0.000 1.711 353 S CA -1.226 56.847 58.200 -0.212 0.000 1.274 353 S CB 1.434 64.530 63.200 -0.173 0.000 1.257 353 S HN -0.028 8.282 8.310 -0.000 0.000 0.404 354 P HA 0.398 4.818 4.420 -0.000 0.000 0.274 354 P C -0.187 176.880 177.300 -0.387 0.000 1.231 354 P CA 0.110 62.975 63.100 -0.393 0.000 0.790 354 P CB 1.284 32.678 31.700 -0.510 0.000 0.951 355 T N -0.469 113.847 114.554 -0.396 0.000 2.896 355 T HA 0.765 5.115 4.350 -0.000 0.000 0.297 355 T C -0.014 174.438 174.700 -0.414 0.000 1.108 355 T CA -0.895 60.976 62.100 -0.383 0.000 1.004 355 T CB 1.187 69.898 68.868 -0.261 0.000 1.159 355 T HN 0.454 8.694 8.240 -0.000 0.000 0.499 356 I N -1.080 119.242 120.570 -0.414 0.000 2.646 356 I HA 0.799 4.969 4.170 -0.000 0.000 0.299 356 I C -1.110 174.953 176.117 -0.090 0.000 1.036 356 I CA -0.926 60.206 61.300 -0.280 0.000 1.074 356 I CB 2.536 40.368 38.000 -0.280 0.000 1.258 356 I HN 0.599 8.809 8.210 -0.000 0.000 0.430 357 T N 4.074 118.674 114.554 0.078 0.000 2.812 357 T HA 0.271 4.621 4.350 -0.000 0.000 0.282 357 T C -0.870 174.005 174.700 0.292 0.000 0.990 357 T CA -0.317 61.896 62.100 0.188 0.000 0.960 357 T CB 1.128 70.046 68.868 0.084 0.000 0.948 357 T HN 0.743 8.983 8.240 -0.000 0.000 0.438 358 c N 5.420 124.244 118.600 0.374 0.000 2.246 358 c HA 0.694 5.264 4.570 -0.000 0.000 0.329 358 c C -0.173 173.992 174.090 0.125 0.000 1.221 358 c CA -0.759 55.671 56.329 0.168 0.000 1.697 358 c CB -1.553 40.877 42.510 -0.133 0.000 2.312 358 c HN 0.789 9.019 8.230 -0.000 0.000 0.509 359 L N 7.876 129.185 121.223 0.144 0.000 2.280 359 L HA 0.673 5.013 4.340 -0.000 0.000 0.287 359 L C -0.593 176.359 176.870 0.137 0.000 1.023 359 L CA 0.210 55.146 54.840 0.161 0.000 0.819 359 L CB 1.387 43.579 42.059 0.221 0.000 1.212 359 L HN 0.497 8.727 8.230 -0.000 0.000 0.420 360 V N 6.034 125.995 119.914 0.079 0.000 2.409 360 V HA 0.468 4.588 4.120 -0.000 0.000 0.291 360 V C -0.332 175.800 176.094 0.063 0.000 1.020 360 V CA -0.724 61.597 62.300 0.035 0.000 0.848 360 V CB 1.730 33.558 31.823 0.007 0.000 0.990 360 V HN 0.463 8.653 8.190 -0.000 0.000 0.430 361 V N 3.855 123.806 119.914 0.060 0.000 2.328 361 V HA 0.383 4.503 4.120 -0.000 0.000 0.278 361 V C -0.460 175.652 176.094 0.030 0.000 1.021 361 V CA -0.322 62.020 62.300 0.070 0.000 0.838 361 V CB 1.677 33.572 31.823 0.120 0.000 0.999 361 V HN 0.920 9.110 8.190 -0.000 0.000 0.447 362 D N 4.472 124.894 120.400 0.038 0.000 2.427 362 D HA 0.343 4.983 4.640 -0.000 0.000 0.226 362 D C 0.776 177.090 176.300 0.024 0.000 1.076 362 D CA -0.297 53.717 54.000 0.023 0.000 0.849 362 D CB 1.451 42.302 40.800 0.085 0.000 1.052 362 D HN 0.393 8.763 8.370 -0.000 0.000 0.515 363 L N 1.950 123.173 121.223 0.000 0.000 2.478 363 L HA 0.202 4.542 4.340 -0.000 0.000 0.223 363 L C 0.937 177.811 176.870 0.006 0.000 1.140 363 L CA 0.232 55.076 54.840 0.006 0.000 0.842 363 L CB -0.026 42.033 42.059 -0.001 0.000 0.953 363 L HN 0.372 8.602 8.230 -0.000 0.000 0.452 364 A N 0.387 123.209 122.820 0.003 0.000 2.709 364 A HA 0.525 4.845 4.320 -0.000 0.000 0.332 364 A C -2.452 175.168 177.584 0.060 0.000 1.241 364 A CA -1.169 50.877 52.037 0.014 0.000 0.782 364 A CB 0.019 19.012 19.000 -0.011 0.000 1.109 364 A HN -0.143 8.007 8.150 -0.000 0.000 0.472 365 P HA 0.091 4.511 4.420 -0.000 0.000 0.257 365 P C 0.051 177.409 177.300 0.098 0.000 1.227 365 P CA 0.821 63.979 63.100 0.096 0.000 0.981 365 P CB 0.191 31.927 31.700 0.059 0.000 1.044 366 S N 2.394 118.191 115.700 0.161 0.000 2.645 366 S HA 0.295 4.765 4.470 -0.000 0.000 0.266 366 S C 0.374 175.032 174.600 0.096 0.000 1.258 366 S CA -0.746 57.548 58.200 0.156 0.000 0.990 366 S CB 0.598 63.998 63.200 0.333 0.000 0.967 366 S HN 0.195 8.505 8.310 -0.000 0.000 0.556 367 K N 0.658 121.115 120.400 0.095 0.000 2.382 367 K HA 0.514 4.834 4.320 -0.000 0.000 0.275 367 K C 0.519 177.107 176.600 -0.019 0.000 1.009 367 K CA 1.204 57.514 56.287 0.039 0.000 0.970 367 K CB -0.248 32.279 32.500 0.046 0.000 0.934 367 K HN 0.901 9.151 8.250 -0.000 0.000 0.479 368 G N 1.014 109.778 108.800 -0.061 0.000 2.325 368 G HA2 0.079 4.039 3.960 -0.000 0.000 0.285 368 G HA3 0.079 4.039 3.960 -0.000 0.000 0.285 368 G C -1.480 173.352 174.900 -0.113 0.000 1.303 368 G CA -0.497 44.534 45.100 -0.116 0.000 0.970 368 G HN 0.586 8.876 8.290 -0.000 0.000 0.490 369 T N 0.614 115.089 114.554 -0.132 0.000 2.864 369 T HA 0.565 4.915 4.350 -0.000 0.000 0.299 369 T C 0.114 174.743 174.700 -0.118 0.000 1.011 369 T CA -0.417 61.624 62.100 -0.099 0.000 0.975 369 T CB 1.607 70.437 68.868 -0.062 0.000 0.962 369 T HN 0.997 9.237 8.240 -0.000 0.000 0.448 370 V N 4.210 124.062 119.914 -0.103 0.000 2.585 370 V HA 0.131 4.251 4.120 -0.000 0.000 0.296 370 V C 0.377 176.446 176.094 -0.043 0.000 1.035 370 V CA -0.200 62.060 62.300 -0.066 0.000 1.084 370 V CB 0.374 32.195 31.823 -0.003 0.000 0.953 370 V HN 0.757 8.947 8.190 -0.000 0.000 0.483 371 Q N 4.841 124.615 119.800 -0.044 0.000 2.325 371 Q HA 0.526 4.866 4.340 -0.000 0.000 0.262 371 Q C -1.002 174.956 176.000 -0.070 0.000 0.968 371 Q CA -0.343 55.433 55.803 -0.045 0.000 0.877 371 Q CB 2.301 31.013 28.738 -0.042 0.000 1.253 371 Q HN 0.626 8.896 8.270 -0.000 0.000 0.448 372 L N 2.461 123.632 121.223 -0.088 0.000 2.280 372 L HA 0.514 4.854 4.340 -0.000 0.000 0.287 372 L C -0.109 176.629 176.870 -0.220 0.000 1.023 372 L CA -0.394 54.328 54.840 -0.196 0.000 0.819 372 L CB 1.611 43.535 42.059 -0.224 0.000 1.212 372 L HN 0.401 8.631 8.230 -0.000 0.000 0.420 373 T N 1.262 115.655 114.554 -0.268 0.000 2.824 373 T HA 0.454 4.804 4.350 -0.000 0.000 0.282 373 T C -0.949 173.639 174.700 -0.186 0.000 0.993 373 T CA -0.417 61.598 62.100 -0.142 0.000 0.967 373 T CB 1.134 69.972 68.868 -0.049 0.000 0.960 373 T HN 0.307 8.547 8.240 -0.000 0.000 0.441 374 W N 2.119 123.450 121.300 0.052 0.000 2.570 374 W HA 0.641 5.301 4.660 -0.000 0.000 0.337 374 W C 0.594 177.150 176.519 0.062 0.000 1.067 374 W CA -0.388 56.999 57.345 0.070 0.000 1.229 374 W CB 1.455 30.966 29.460 0.084 0.000 1.355 374 W HN 0.764 8.944 8.180 -0.000 0.000 0.555 375 S N 1.101 117.013 115.700 0.353 0.000 2.656 375 S HA 0.696 5.166 4.470 -0.000 0.000 0.273 375 S C -1.161 173.530 174.600 0.151 0.000 1.168 375 S CA -1.389 56.929 58.200 0.196 0.000 0.817 375 S CB 2.100 65.363 63.200 0.105 0.000 1.146 375 S HN 0.512 8.822 8.310 -0.000 0.000 0.475 376 R N -0.411 120.105 120.500 0.026 0.000 2.670 376 R HA 0.704 5.044 4.340 -0.000 0.000 0.289 376 R C 1.028 177.275 176.300 -0.088 0.000 0.965 376 R CA -0.403 55.626 56.100 -0.118 0.000 0.899 376 R CB 1.815 31.992 30.300 -0.204 0.000 1.173 376 R HN 0.841 9.111 8.270 -0.000 0.000 0.456 377 A N 1.283 124.033 122.820 -0.116 0.000 1.972 377 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 377 A C 1.911 179.453 177.584 -0.070 0.000 1.169 377 A CA 2.089 54.083 52.037 -0.072 0.000 0.635 377 A CB -0.401 18.554 19.000 -0.074 0.000 0.810 377 A HN 0.798 8.948 8.150 -0.000 0.000 0.446 378 S N -1.718 113.924 115.700 -0.096 0.000 2.474 378 S HA 0.251 4.721 4.470 -0.000 0.000 0.235 378 S C 1.637 176.207 174.600 -0.051 0.000 0.997 378 S CA 1.308 59.465 58.200 -0.073 0.000 0.949 378 S CB -0.599 62.549 63.200 -0.087 0.000 0.766 378 S HN 1.959 10.269 8.310 -0.000 0.000 0.517 379 G N 0.866 109.638 108.800 -0.046 0.000 2.176 379 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.253 379 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.253 379 G C 0.033 174.920 174.900 -0.021 0.000 0.979 379 G CA 0.321 45.406 45.100 -0.025 0.000 0.641 379 G HN 0.616 8.906 8.290 -0.000 0.000 0.530 380 K N 0.778 121.158 120.400 -0.034 0.000 2.138 380 K HA 0.448 4.768 4.320 -0.000 0.000 0.251 380 K C -2.229 174.365 176.600 -0.011 0.000 1.015 380 K CA -1.590 54.683 56.287 -0.024 0.000 0.917 380 K CB 0.374 32.855 32.500 -0.031 0.000 1.021 380 K HN 0.019 8.269 8.250 -0.000 0.000 0.485 381 P HA -0.038 4.382 4.420 -0.000 0.000 0.269 381 P C -0.956 176.346 177.300 0.003 0.000 1.209 381 P CA -0.322 62.774 63.100 -0.007 0.000 0.776 381 P CB 0.576 32.262 31.700 -0.023 0.000 0.876 382 V N 0.242 120.159 119.914 0.006 0.000 2.769 382 V HA 0.459 4.579 4.120 -0.000 0.000 0.312 382 V C -0.033 176.012 176.094 -0.081 0.000 1.058 382 V CA -0.883 61.423 62.300 0.010 0.000 0.952 382 V CB 1.354 33.222 31.823 0.075 0.000 1.019 382 V HN 0.411 8.601 8.190 -0.000 0.000 0.445 383 Q N 1.095 120.827 119.800 -0.114 0.000 2.407 383 Q HA 0.344 4.684 4.340 -0.000 0.000 0.214 383 Q C -0.426 175.464 176.000 -0.182 0.000 1.043 383 Q CA -0.665 55.029 55.803 -0.182 0.000 0.983 383 Q CB 0.388 29.045 28.738 -0.136 0.000 1.211 383 Q HN 0.782 9.052 8.270 -0.000 0.000 0.564 384 H N 0.441 119.488 119.070 -0.038 0.000 2.848 384 H HA 0.075 4.631 4.556 -0.000 0.000 0.341 384 H C 0.002 175.298 175.328 -0.053 0.000 1.060 384 H CA 0.076 56.111 56.048 -0.021 0.000 1.444 384 H CB 0.646 30.403 29.762 -0.009 0.000 1.446 384 H HN 0.566 8.846 8.280 -0.000 0.000 0.583 385 S N 1.751 117.526 115.700 0.125 0.000 2.638 385 S HA 0.430 4.900 4.470 -0.000 0.000 0.298 385 S C -0.040 174.614 174.600 0.090 0.000 1.111 385 S CA -0.945 57.289 58.200 0.056 0.000 1.027 385 S CB 1.676 64.961 63.200 0.142 0.000 1.064 385 S HN 0.474 8.784 8.310 -0.000 0.000 0.525 386 T N 2.189 116.783 114.554 0.068 0.000 2.743 386 T HA 0.421 4.771 4.350 -0.000 0.000 0.292 386 T C -0.063 174.695 174.700 0.097 0.000 0.972 386 T CA -0.484 61.654 62.100 0.063 0.000 0.967 386 T CB 0.477 69.364 68.868 0.031 0.000 0.926 386 T HN 0.606 8.846 8.240 -0.000 0.000 0.459 387 R N 2.586 123.138 120.500 0.087 0.000 2.486 387 R HA 0.591 4.931 4.340 -0.000 0.000 0.286 387 R C -0.624 175.710 176.300 0.056 0.000 0.999 387 R CA -0.693 55.458 56.100 0.084 0.000 0.993 387 R CB 0.756 31.100 30.300 0.073 0.000 1.084 387 R HN 0.529 8.799 8.270 -0.000 0.000 0.487 388 K N 2.521 122.954 120.400 0.054 0.000 2.550 388 K HA 0.220 4.540 4.320 -0.000 0.000 0.252 388 K C -1.740 174.883 176.600 0.038 0.000 0.943 388 K CA -0.475 55.837 56.287 0.040 0.000 0.806 388 K CB 1.715 34.239 32.500 0.040 0.000 1.289 388 K HN 0.645 8.895 8.250 -0.000 0.000 0.435 389 E N 2.667 122.885 120.200 0.030 0.000 2.317 389 E HA 0.293 4.643 4.350 -0.000 0.000 0.270 389 E C -1.486 175.129 176.600 0.024 0.000 0.885 389 E CA -0.948 55.470 56.400 0.028 0.000 0.760 389 E CB 2.414 32.128 29.700 0.024 0.000 1.227 389 E HN 0.559 8.919 8.360 -0.000 0.000 0.434 390 E N 1.845 122.061 120.200 0.026 0.000 2.313 390 E HA 0.295 4.645 4.350 -0.000 0.000 0.280 390 E C -1.182 175.432 176.600 0.024 0.000 0.898 390 E CA -0.880 55.533 56.400 0.022 0.000 0.803 390 E CB 1.455 31.168 29.700 0.020 0.000 1.286 390 E HN 0.124 8.484 8.360 -0.000 0.000 0.401 391 K N 2.816 123.229 120.400 0.021 0.000 2.416 391 K HA 0.077 4.397 4.320 -0.000 0.000 0.283 391 K C 0.195 176.806 176.600 0.019 0.000 1.037 391 K CA -0.145 56.155 56.287 0.022 0.000 0.995 391 K CB 0.666 33.177 32.500 0.019 0.000 0.938 391 K HN 0.443 8.693 8.250 -0.000 0.000 0.475 392 Q N 1.895 121.707 119.800 0.020 0.000 2.237 392 Q HA 0.096 4.436 4.340 -0.000 0.000 0.219 392 Q C 1.042 177.050 176.000 0.013 0.000 0.999 392 Q CA -0.208 55.605 55.803 0.017 0.000 0.959 392 Q CB 0.635 29.385 28.738 0.019 0.000 1.173 392 Q HN 0.401 8.671 8.270 -0.000 0.000 0.527 393 R N 1.091 121.598 120.500 0.010 0.000 2.152 393 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 393 R C 1.017 177.322 176.300 0.008 0.000 1.117 393 R CA 1.435 57.539 56.100 0.008 0.000 0.981 393 R CB -0.104 30.200 30.300 0.006 0.000 0.870 393 R HN 0.585 8.855 8.270 -0.000 0.000 0.451 394 N N -1.123 117.583 118.700 0.010 0.000 2.327 394 N HA 0.144 4.884 4.740 -0.000 0.000 0.231 394 N C 0.590 176.107 175.510 0.012 0.000 1.130 394 N CA 0.549 53.605 53.050 0.010 0.000 0.845 394 N CB 0.542 39.035 38.487 0.010 0.000 1.073 394 N HN 0.212 8.592 8.380 -0.000 0.000 0.496 395 G N -1.011 107.797 108.800 0.013 0.000 2.225 395 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.254 395 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.254 395 G C 0.064 174.975 174.900 0.020 0.000 0.988 395 G CA 0.474 45.582 45.100 0.015 0.000 0.625 395 G HN 0.477 8.767 8.290 -0.000 0.000 0.527 396 T N 1.569 116.136 114.554 0.022 0.000 2.869 396 T HA 0.531 4.881 4.350 -0.000 0.000 0.295 396 T C 0.172 174.892 174.700 0.033 0.000 0.987 396 T CA -0.110 62.007 62.100 0.028 0.000 1.109 396 T CB 2.002 70.888 68.868 0.029 0.000 0.932 396 T HN 0.498 8.738 8.240 -0.000 0.000 0.518 397 L N 3.317 124.565 121.223 0.041 0.000 2.350 397 L HA 0.485 4.825 4.340 -0.000 0.000 0.275 397 L C 0.077 176.977 176.870 0.049 0.000 1.099 397 L CA 0.382 55.249 54.840 0.046 0.000 0.808 397 L CB 1.181 43.275 42.059 0.057 0.000 1.149 397 L HN 0.606 8.836 8.230 -0.000 0.000 0.442 398 T N 4.295 118.877 114.554 0.046 0.000 2.840 398 T HA 0.577 4.927 4.350 -0.000 0.000 0.287 398 T C -1.012 173.717 174.700 0.049 0.000 0.991 398 T CA -0.354 61.777 62.100 0.052 0.000 0.964 398 T CB 1.249 70.145 68.868 0.047 0.000 0.954 398 T HN 0.324 8.564 8.240 -0.000 0.000 0.438 399 V N 4.136 124.083 119.914 0.054 0.000 2.495 399 V HA 0.778 4.898 4.120 -0.000 0.000 0.298 399 V C 0.362 176.492 176.094 0.059 0.000 1.031 399 V CA -0.760 61.569 62.300 0.050 0.000 0.871 399 V CB 1.886 33.733 31.823 0.041 0.000 0.988 399 V HN 1.054 9.244 8.190 -0.000 0.000 0.432 400 T N 0.843 115.437 114.554 0.067 0.000 2.907 400 T HA 0.756 5.106 4.350 -0.000 0.000 0.292 400 T C -0.591 174.178 174.700 0.116 0.000 1.043 400 T CA -0.742 61.412 62.100 0.090 0.000 1.003 400 T CB 1.971 70.892 68.868 0.089 0.000 1.084 400 T HN 0.631 8.871 8.240 -0.000 0.000 0.483 401 S N 0.479 116.290 115.700 0.186 0.000 2.538 401 S HA 0.680 5.150 4.470 -0.000 0.000 0.288 401 S C -1.021 173.815 174.600 0.394 0.000 1.108 401 S CA -0.528 57.850 58.200 0.297 0.000 0.971 401 S CB 1.454 64.879 63.200 0.375 0.000 1.041 401 S HN 0.912 9.222 8.310 -0.000 0.000 0.483 402 T N 4.531 119.219 114.554 0.224 0.000 2.812 402 T HA 0.554 4.904 4.350 -0.000 0.000 0.282 402 T C -1.249 173.366 174.700 -0.143 0.000 0.990 402 T CA -0.388 61.741 62.100 0.049 0.000 0.960 402 T CB 1.132 69.998 68.868 -0.002 0.000 0.948 402 T HN 0.512 8.752 8.240 -0.000 0.000 0.438 403 L N 6.259 127.209 121.223 -0.455 0.000 2.319 403 L HA 0.586 4.926 4.340 -0.000 0.000 0.281 403 L C -2.718 173.842 176.870 -0.516 0.000 1.005 403 L CA -2.220 52.201 54.840 -0.698 0.000 0.828 403 L CB 1.353 42.495 42.059 -1.528 0.000 1.227 403 L HN 0.292 8.522 8.230 -0.000 0.000 0.415 404 P HA 0.266 4.686 4.420 -0.000 0.000 0.271 404 P C -1.239 175.869 177.300 -0.320 0.000 1.216 404 P CA -0.126 62.798 63.100 -0.294 0.000 0.776 404 P CB 1.013 32.599 31.700 -0.189 0.000 0.881 405 V N -0.177 119.541 119.914 -0.327 0.000 3.040 405 V HA 0.890 5.010 4.120 -0.000 0.000 0.312 405 V C 0.206 176.216 176.094 -0.140 0.000 1.115 405 V CA -1.059 61.074 62.300 -0.278 0.000 0.998 405 V CB 1.568 33.036 31.823 -0.591 0.000 1.042 405 V HN 0.628 8.818 8.190 -0.000 0.000 0.433 406 G N 1.021 109.820 108.800 -0.001 0.000 2.527 406 G HA2 0.433 4.393 3.960 -0.000 0.000 0.248 406 G HA3 0.433 4.393 3.960 -0.000 0.000 0.248 406 G C 0.557 175.481 174.900 0.039 0.000 1.231 406 G CA 0.495 45.608 45.100 0.021 0.000 0.838 406 G HN 0.985 9.275 8.290 -0.000 0.000 0.570 407 T N 0.632 115.191 114.554 0.008 0.000 2.770 407 T HA -0.074 4.276 4.350 -0.000 0.000 0.258 407 T C 2.435 177.188 174.700 0.089 0.000 1.039 407 T CA 0.826 62.933 62.100 0.012 0.000 1.143 407 T CB -0.136 68.712 68.868 -0.032 0.000 0.866 407 T HN 0.489 8.729 8.240 -0.000 0.000 0.428 408 R N 1.054 121.595 120.500 0.070 0.000 2.070 408 R HA -0.151 4.189 4.340 -0.000 0.000 0.233 408 R C 1.895 178.254 176.300 0.098 0.000 1.137 408 R CA 1.941 58.085 56.100 0.074 0.000 0.945 408 R CB -0.443 29.884 30.300 0.046 0.000 0.845 408 R HN 0.297 8.567 8.270 -0.000 0.000 0.430 409 D N -0.050 120.421 120.400 0.118 0.000 2.126 409 D HA -0.280 4.360 4.640 -0.000 0.000 0.190 409 D C 1.564 177.986 176.300 0.203 0.000 1.001 409 D CA 1.251 55.338 54.000 0.144 0.000 0.841 409 D CB -0.717 40.207 40.800 0.207 0.000 0.949 409 D HN 0.443 8.813 8.370 -0.000 0.000 0.446 410 W N 1.403 122.767 121.300 0.107 0.000 2.354 410 W HA -0.174 4.486 4.660 -0.000 0.000 0.315 410 W C 1.844 178.391 176.519 0.046 0.000 1.206 410 W CA 0.714 58.116 57.345 0.096 0.000 1.290 410 W CB -0.241 29.204 29.460 -0.024 0.000 1.152 410 W HN -0.102 8.078 8.180 -0.000 0.000 0.489 411 I N 1.134 121.812 120.570 0.179 0.000 2.335 411 I HA -0.252 3.918 4.170 -0.000 0.000 0.251 411 I C 1.675 177.781 176.117 -0.018 0.000 1.129 411 I CA 1.713 63.066 61.300 0.089 0.000 1.402 411 I CB -1.345 36.741 38.000 0.144 0.000 1.069 411 I HN 0.090 8.300 8.210 -0.000 0.000 0.424 412 E N 0.076 120.264 120.200 -0.020 0.000 2.465 412 E HA 0.204 4.554 4.350 -0.000 0.000 0.191 412 E C 0.995 177.540 176.600 -0.092 0.000 1.053 412 E CA 0.393 56.770 56.400 -0.039 0.000 0.869 412 E CB 0.141 29.834 29.700 -0.010 0.000 0.977 412 E HN 0.567 8.927 8.360 -0.000 0.000 0.483 413 G N 2.594 111.287 108.800 -0.179 0.000 2.167 413 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.194 413 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.194 413 G C -0.093 174.671 174.900 -0.226 0.000 1.027 413 G CA 0.028 44.984 45.100 -0.241 0.000 0.717 413 G HN 0.240 8.530 8.290 -0.000 0.000 0.501 414 E N 0.736 120.812 120.200 -0.207 0.000 2.383 414 E HA 0.605 4.955 4.350 -0.000 0.000 0.264 414 E C 0.329 176.779 176.600 -0.250 0.000 1.050 414 E CA 0.331 56.602 56.400 -0.216 0.000 0.896 414 E CB 0.503 30.082 29.700 -0.202 0.000 0.982 414 E HN 0.133 8.493 8.360 -0.000 0.000 0.424 415 T N 4.365 118.757 114.554 -0.271 0.000 2.779 415 T HA 0.365 4.715 4.350 -0.000 0.000 0.280 415 T C -1.123 173.480 174.700 -0.161 0.000 0.987 415 T CA -0.324 61.705 62.100 -0.118 0.000 0.966 415 T CB 0.096 68.923 68.868 -0.068 0.000 0.933 415 T HN 0.289 8.529 8.240 -0.000 0.000 0.442 416 Y N 1.903 122.301 120.300 0.163 0.000 2.360 416 Y HA 0.524 5.074 4.550 -0.000 0.000 0.337 416 Y C 0.668 176.729 175.900 0.269 0.000 1.039 416 Y CA -0.955 57.290 58.100 0.241 0.000 1.109 416 Y CB 1.443 40.081 38.460 0.297 0.000 1.201 416 Y HN 0.499 8.779 8.280 -0.000 0.000 0.458 417 Q N 1.918 121.957 119.800 0.398 0.000 2.375 417 Q HA 0.594 4.934 4.340 -0.000 0.000 0.271 417 Q C -1.440 174.659 176.000 0.164 0.000 1.074 417 Q CA -0.809 55.134 55.803 0.233 0.000 0.808 417 Q CB 2.859 31.669 28.738 0.119 0.000 1.327 417 Q HN 0.749 9.019 8.270 -0.000 0.000 0.441 418 c N 2.579 121.142 118.600 -0.060 0.000 2.369 418 c HA 0.636 5.205 4.570 -0.000 0.000 0.322 418 c C -0.730 173.204 174.090 -0.260 0.000 1.258 418 c CA -0.451 55.623 56.329 -0.425 0.000 1.487 418 c CB 0.655 42.773 42.510 -0.653 0.000 2.165 418 c HN 0.927 9.157 8.230 -0.000 0.000 0.483 419 R N 4.947 125.290 120.500 -0.262 0.000 2.343 419 R HA 0.694 5.034 4.340 -0.000 0.000 0.320 419 R C -1.449 174.755 176.300 -0.160 0.000 0.956 419 R CA -0.352 55.655 56.100 -0.155 0.000 0.836 419 R CB 1.280 31.524 30.300 -0.093 0.000 1.151 419 R HN 0.690 8.960 8.270 -0.000 0.000 0.450 420 V N 4.064 123.907 119.914 -0.118 0.000 2.370 420 V HA 0.315 4.435 4.120 -0.000 0.000 0.279 420 V C -0.178 175.892 176.094 -0.041 0.000 1.029 420 V CA -0.442 61.806 62.300 -0.087 0.000 0.870 420 V CB 1.730 33.507 31.823 -0.076 0.000 0.984 420 V HN 0.783 8.973 8.190 -0.000 0.000 0.451 421 T N 4.832 119.369 114.554 -0.028 0.000 2.809 421 T HA 0.335 4.685 4.350 -0.000 0.000 0.296 421 T C -0.398 174.317 174.700 0.025 0.000 1.015 421 T CA -0.223 61.875 62.100 -0.004 0.000 0.954 421 T CB 0.109 68.962 68.868 -0.026 0.000 0.950 421 T HN 0.691 8.931 8.240 -0.000 0.000 0.450 422 H N 4.193 123.242 119.070 -0.035 0.000 2.482 422 H HA 0.226 4.782 4.556 -0.000 0.000 0.344 422 H C -1.847 173.456 175.328 -0.040 0.000 1.151 422 H CA -2.152 53.883 56.048 -0.023 0.000 1.300 422 H CB 1.986 31.748 29.762 0.001 0.000 1.494 422 H HN 0.259 8.539 8.280 -0.000 0.000 0.542 423 P HA -0.151 4.269 4.420 -0.000 0.000 0.213 423 P C 0.207 177.377 177.300 -0.216 0.000 1.170 423 P CA 1.538 64.445 63.100 -0.322 0.000 0.902 423 P CB 0.157 31.580 31.700 -0.462 0.000 0.789 424 H N -0.332 118.852 119.070 0.190 0.000 2.557 424 H HA 0.206 4.762 4.556 -0.000 0.000 0.236 424 H C 0.104 175.556 175.328 0.208 0.000 1.676 424 H CA -0.631 55.537 56.048 0.200 0.000 1.197 424 H CB -0.856 29.018 29.762 0.186 0.000 1.604 424 H HN 0.061 8.341 8.280 -0.000 0.000 0.509 425 L N -0.846 120.506 121.223 0.215 0.000 2.292 425 L HA 0.404 4.744 4.340 -0.000 0.000 0.284 425 L C -1.723 175.186 176.870 0.064 0.000 1.065 425 L CA -1.767 53.145 54.840 0.119 0.000 0.806 425 L CB 0.566 42.685 42.059 0.101 0.000 1.175 425 L HN -0.162 8.068 8.230 -0.000 0.000 0.431 426 P HA 0.083 4.503 4.420 -0.000 0.000 0.212 426 P C -0.165 177.142 177.300 0.011 0.000 1.179 426 P CA 1.013 64.126 63.100 0.021 0.000 0.898 426 P CB 0.217 31.922 31.700 0.009 0.000 0.775 427 R N -0.271 120.230 120.500 0.002 0.000 2.720 427 R HA 0.682 5.022 4.340 -0.000 0.000 0.272 427 R C -0.299 175.997 176.300 -0.006 0.000 0.991 427 R CA -0.903 55.195 56.100 -0.004 0.000 1.010 427 R CB 0.917 31.211 30.300 -0.011 0.000 1.141 427 R HN 0.052 8.322 8.270 -0.000 0.000 0.494 428 A N 2.814 125.628 122.820 -0.010 0.000 2.362 428 A HA 0.344 4.664 4.320 -0.000 0.000 0.276 428 A C 0.295 177.863 177.584 -0.028 0.000 1.153 428 A CA -0.446 51.581 52.037 -0.017 0.000 0.813 428 A CB 0.092 19.080 19.000 -0.019 0.000 1.081 428 A HN 0.565 8.715 8.150 -0.000 0.000 0.507 429 L N 2.860 124.060 121.223 -0.038 0.000 2.397 429 L HA 0.390 4.730 4.340 -0.000 0.000 0.271 429 L C 0.227 177.061 176.870 -0.060 0.000 1.148 429 L CA 0.291 55.100 54.840 -0.052 0.000 0.825 429 L CB 0.802 42.821 42.059 -0.068 0.000 1.117 429 L HN 0.707 8.937 8.230 -0.000 0.000 0.456 430 M N 3.923 123.492 119.600 -0.052 0.000 2.464 430 M HA 0.562 5.042 4.480 -0.000 0.000 0.308 430 M C -0.928 175.349 176.300 -0.038 0.000 1.127 430 M CA -0.753 54.519 55.300 -0.048 0.000 0.913 430 M CB 2.489 35.072 32.600 -0.028 0.000 1.689 430 M HN 0.425 8.715 8.290 -0.000 0.000 0.445 431 R N 1.297 121.778 120.500 -0.031 0.000 2.651 431 R HA 0.732 5.072 4.340 -0.000 0.000 0.278 431 R C -1.263 175.069 176.300 0.053 0.000 1.010 431 R CA -0.661 55.442 56.100 0.005 0.000 0.896 431 R CB 2.232 32.530 30.300 -0.004 0.000 1.211 431 R HN 0.924 9.194 8.270 -0.000 0.000 0.456 432 S N -0.702 115.053 115.700 0.092 0.000 2.627 432 S HA 0.750 5.220 4.470 -0.000 0.000 0.283 432 S C -0.638 174.073 174.600 0.184 0.000 1.127 432 S CA -0.711 57.577 58.200 0.146 0.000 0.863 432 S CB 2.724 65.986 63.200 0.103 0.000 1.121 432 S HN 0.544 8.854 8.310 -0.000 0.000 0.479 433 T N -0.059 114.649 114.554 0.257 0.000 2.894 433 T HA 0.743 5.093 4.350 -0.000 0.000 0.309 433 T C -1.275 173.591 174.700 0.277 0.000 1.208 433 T CA -0.151 62.124 62.100 0.291 0.000 1.016 433 T CB 1.890 70.994 68.868 0.393 0.000 1.192 433 T HN 1.052 9.292 8.240 -0.000 0.000 0.491 434 T N 1.412 116.049 114.554 0.138 0.000 2.769 434 T HA 0.465 4.815 4.350 -0.000 0.000 0.306 434 T C -1.431 173.057 174.700 -0.354 0.000 1.400 434 T CA -0.714 61.235 62.100 -0.252 0.000 1.007 434 T CB 1.600 70.370 68.868 -0.163 0.000 1.392 434 T HN 0.829 9.069 8.240 -0.000 0.000 0.500 435 K N 2.005 121.950 120.400 -0.758 0.000 2.484 435 K HA 0.196 4.516 4.320 -0.000 0.000 0.280 435 K C 0.182 176.730 176.600 -0.086 0.000 1.013 435 K CA 0.065 56.133 56.287 -0.365 0.000 1.029 435 K CB 0.243 32.454 32.500 -0.482 0.000 0.902 435 K HN 0.699 8.949 8.250 -0.000 0.000 0.481 436 T N 0.893 115.480 114.554 0.056 0.000 2.761 436 T HA 0.164 4.514 4.350 -0.000 0.000 0.296 436 T C 0.020 174.758 174.700 0.063 0.000 0.934 436 T CA -0.651 61.489 62.100 0.068 0.000 1.091 436 T CB 1.004 69.938 68.868 0.109 0.000 0.896 436 T HN 0.338 8.578 8.240 -0.000 0.000 0.515 437 S N 3.273 118.999 115.700 0.043 0.000 2.256 437 S HA 0.491 4.961 4.470 -0.000 0.000 0.210 437 S C 0.966 175.599 174.600 0.054 0.000 1.329 437 S CA -0.824 57.402 58.200 0.043 0.000 1.267 437 S CB 0.099 63.306 63.200 0.011 0.000 1.086 437 S HN 1.055 9.365 8.310 -0.000 0.000 0.468 438 G N 2.467 111.314 108.800 0.079 0.000 2.582 438 G HA2 0.538 4.498 3.960 -0.000 0.000 0.232 438 G HA3 0.538 4.498 3.960 -0.000 0.000 0.232 438 G C -2.347 172.604 174.900 0.083 0.000 1.458 438 G CA -0.948 44.200 45.100 0.080 0.000 1.062 438 G HN 0.362 8.652 8.290 -0.000 0.000 0.566 439 P HA 0.354 4.774 4.420 -0.000 0.000 0.276 439 P C -0.751 176.617 177.300 0.115 0.000 1.244 439 P CA -0.264 62.884 63.100 0.080 0.000 0.801 439 P CB 1.299 33.035 31.700 0.059 0.000 1.006 440 R N 0.459 121.025 120.500 0.109 0.000 2.604 440 R HA 0.810 5.150 4.340 -0.000 0.000 0.287 440 R C -0.733 175.640 176.300 0.121 0.000 0.970 440 R CA -0.809 55.380 56.100 0.147 0.000 0.946 440 R CB 2.058 32.434 30.300 0.126 0.000 1.127 440 R HN 0.657 8.927 8.270 -0.000 0.000 0.473 441 A N 1.087 123.995 122.820 0.146 0.000 2.513 441 A HA 0.611 4.931 4.320 -0.000 0.000 0.296 441 A C -0.999 176.608 177.584 0.037 0.000 1.052 441 A CA -0.656 51.428 52.037 0.077 0.000 0.714 441 A CB 1.501 20.536 19.000 0.058 0.000 1.279 441 A HN 0.778 8.928 8.150 -0.000 0.000 0.397 442 A N 3.119 125.937 122.820 -0.003 0.000 2.406 442 A HA 0.712 5.032 4.320 -0.000 0.000 0.243 442 A C -2.309 175.224 177.584 -0.085 0.000 1.082 442 A CA -0.961 51.033 52.037 -0.072 0.000 0.786 442 A CB -0.371 18.599 19.000 -0.049 0.000 1.029 442 A HN 0.575 8.725 8.150 -0.000 0.000 0.495 443 P HA 0.347 4.767 4.420 -0.000 0.000 0.286 443 P C -1.019 176.229 177.300 -0.087 0.000 1.261 443 P CA -0.364 62.702 63.100 -0.056 0.000 0.821 443 P CB 1.060 32.618 31.700 -0.238 0.000 1.013 444 E N 0.701 120.868 120.200 -0.055 0.000 2.249 444 E HA 0.425 4.775 4.350 -0.000 0.000 0.280 444 E C -0.606 175.787 176.600 -0.344 0.000 1.016 444 E CA -0.897 55.360 56.400 -0.238 0.000 0.830 444 E CB 1.276 30.882 29.700 -0.157 0.000 1.081 444 E HN 0.159 8.519 8.360 -0.000 0.000 0.395 445 V N 3.642 123.223 119.914 -0.555 0.000 2.604 445 V HA 0.446 4.566 4.120 -0.000 0.000 0.305 445 V C -1.163 174.529 176.094 -0.669 0.000 1.043 445 V CA -0.828 61.200 62.300 -0.453 0.000 0.888 445 V CB 0.773 32.404 31.823 -0.320 0.000 0.995 445 V HN 0.604 8.794 8.190 -0.000 0.000 0.429 446 Y N 1.792 121.965 120.300 -0.213 0.000 2.401 446 Y HA 0.742 5.292 4.550 -0.000 0.000 0.330 446 Y C 0.059 175.633 175.900 -0.543 0.000 1.071 446 Y CA -0.594 57.286 58.100 -0.366 0.000 1.049 446 Y CB 2.182 40.444 38.460 -0.330 0.000 1.239 446 Y HN 0.775 9.055 8.280 -0.000 0.000 0.437 447 A N 3.497 126.023 122.820 -0.491 0.000 2.374 447 A HA 0.963 5.283 4.320 -0.000 0.000 0.317 447 A C -1.629 175.658 177.584 -0.495 0.000 1.094 447 A CA -0.635 51.204 52.037 -0.330 0.000 0.765 447 A CB 0.938 19.880 19.000 -0.095 0.000 1.268 447 A HN 0.628 8.778 8.150 -0.000 0.000 0.438 448 F N -0.040 120.027 119.950 0.194 0.000 2.631 448 F HA 0.695 5.222 4.527 -0.000 0.000 0.308 448 F C 0.290 176.146 175.800 0.094 0.000 1.097 448 F CA -0.520 57.557 58.000 0.128 0.000 0.952 448 F CB 2.550 41.619 39.000 0.115 0.000 1.307 448 F HN 0.778 9.078 8.300 -0.000 0.000 0.450 449 A N 0.942 123.909 122.820 0.245 0.000 2.371 449 A HA 0.698 5.018 4.320 -0.000 0.000 0.311 449 A C -0.359 177.255 177.584 0.049 0.000 1.068 449 A CA -0.736 51.352 52.037 0.085 0.000 0.744 449 A CB 1.043 20.042 19.000 -0.002 0.000 1.239 449 A HN 0.776 8.926 8.150 -0.000 0.000 0.435 450 T N 1.102 115.661 114.554 0.009 0.000 2.898 450 T HA 0.549 4.899 4.350 -0.000 0.000 0.301 450 T C -2.069 172.622 174.700 -0.015 0.000 1.049 450 T CA -0.953 61.151 62.100 0.007 0.000 1.095 450 T CB 0.204 69.077 68.868 0.008 0.000 0.976 450 T HN 0.390 8.630 8.240 -0.000 0.000 0.539 451 P HA 0.243 4.663 4.420 -0.000 0.000 0.286 451 P C -0.337 176.986 177.300 0.038 0.000 1.293 451 P CA -0.700 62.401 63.100 0.001 0.000 0.770 451 P CB 0.287 31.997 31.700 0.016 0.000 1.206 452 E N 0.025 120.240 120.200 0.026 0.000 2.316 452 E HA 0.022 4.372 4.350 -0.000 0.000 0.275 452 E C -0.893 175.784 176.600 0.130 0.000 1.029 452 E CA -0.492 55.952 56.400 0.073 0.000 0.871 452 E CB 0.396 30.122 29.700 0.044 0.000 1.022 452 E HN 0.371 8.731 8.360 -0.000 0.000 0.418 453 W N 6.791 128.086 121.300 -0.008 0.000 2.316 453 W HA 0.236 4.896 4.660 -0.000 0.000 0.311 453 W C -2.232 174.289 176.519 0.002 0.000 1.217 453 W CA -2.336 55.005 57.345 -0.007 0.000 1.199 453 W CB 0.854 30.309 29.460 -0.008 0.000 1.202 453 W HN 0.478 8.658 8.180 -0.000 0.000 0.528 454 P HA -0.039 4.381 4.420 -0.000 0.000 0.261 454 P C 0.626 177.901 177.300 -0.041 0.000 1.165 454 P CA 2.498 65.443 63.100 -0.257 0.000 0.759 454 P CB 0.359 31.807 31.700 -0.420 0.000 0.772 455 G N 2.568 111.372 108.800 0.006 0.000 5.219 455 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.267 455 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.267 455 G C 0.315 175.266 174.900 0.086 0.000 1.495 455 G CA 0.186 45.318 45.100 0.052 0.000 0.988 455 G HN 0.886 9.176 8.290 -0.000 0.000 0.707 456 S N 1.881 117.662 115.700 0.135 0.000 3.065 456 S HA 0.481 4.951 4.470 -0.000 0.000 0.311 456 S C 1.107 175.792 174.600 0.143 0.000 1.204 456 S CA 0.668 58.944 58.200 0.127 0.000 1.040 456 S CB 0.611 63.892 63.200 0.134 0.000 1.436 456 S HN 1.203 9.513 8.310 -0.000 0.000 0.532 457 R N 0.467 121.045 120.500 0.130 0.000 2.334 457 R HA 0.324 4.664 4.340 -0.000 0.000 0.216 457 R C -0.341 176.095 176.300 0.226 0.000 0.905 457 R CA -0.100 56.108 56.100 0.180 0.000 1.064 457 R CB -0.126 30.264 30.300 0.150 0.000 1.046 457 R HN 0.321 8.591 8.270 -0.000 0.000 0.508 458 D N 1.688 122.168 120.400 0.133 0.000 2.325 458 D HA 0.037 4.677 4.640 -0.000 0.000 0.225 458 D C -0.478 175.867 176.300 0.076 0.000 1.096 458 D CA 0.513 54.544 54.000 0.051 0.000 0.844 458 D CB 0.364 41.160 40.800 -0.006 0.000 0.925 458 D HN 0.504 8.874 8.370 -0.000 0.000 0.513 459 K N -1.172 119.362 120.400 0.223 0.000 2.551 459 K HA 0.625 4.945 4.320 -0.000 0.000 0.269 459 K C -0.736 176.021 176.600 0.263 0.000 0.949 459 K CA -1.059 55.361 56.287 0.222 0.000 0.849 459 K CB 2.351 34.901 32.500 0.083 0.000 1.411 459 K HN -0.342 7.908 8.250 -0.000 0.000 0.432 460 R N 0.615 121.235 120.500 0.200 0.000 2.836 460 R HA 0.513 4.853 4.340 -0.000 0.000 0.269 460 R C -1.031 175.229 176.300 -0.067 0.000 1.010 460 R CA -0.952 55.160 56.100 0.020 0.000 0.930 460 R CB 2.289 32.508 30.300 -0.136 0.000 1.218 460 R HN 0.838 9.108 8.270 -0.000 0.000 0.473 461 T N 2.022 116.520 114.554 -0.093 0.000 2.792 461 T HA 0.539 4.889 4.350 -0.000 0.000 0.280 461 T C 0.008 174.631 174.700 -0.128 0.000 0.990 461 T CA -0.587 61.438 62.100 -0.125 0.000 0.960 461 T CB 1.026 69.839 68.868 -0.091 0.000 0.939 461 T HN 0.170 8.410 8.240 -0.000 0.000 0.439 462 L N 2.564 123.657 121.223 -0.216 0.000 2.309 462 L HA 0.846 5.186 4.340 -0.000 0.000 0.282 462 L C 0.188 177.058 176.870 0.000 0.000 1.036 462 L CA -0.954 53.792 54.840 -0.157 0.000 0.806 462 L CB 1.391 43.193 42.059 -0.428 0.000 1.220 462 L HN 0.699 8.929 8.230 -0.000 0.000 0.429 463 A N 2.016 125.005 122.820 0.281 0.000 2.469 463 A HA 0.735 5.055 4.320 -0.000 0.000 0.299 463 A C -1.444 176.482 177.584 0.570 0.000 1.098 463 A CA -0.479 51.829 52.037 0.453 0.000 0.737 463 A CB 2.004 21.251 19.000 0.411 0.000 1.312 463 A HN 0.748 8.898 8.150 -0.000 0.000 0.414 464 c N 2.045 120.967 118.600 0.537 0.000 2.551 464 c HA 0.704 5.274 4.570 -0.000 0.000 0.332 464 c C -1.631 172.603 174.090 0.240 0.000 1.139 464 c CA -0.533 55.955 56.329 0.265 0.000 1.328 464 c CB 0.583 43.090 42.510 -0.004 0.000 1.903 464 c HN 1.022 9.252 8.230 -0.000 0.000 0.459 465 L N 7.735 129.047 121.223 0.148 0.000 2.305 465 L HA 0.755 5.095 4.340 -0.000 0.000 0.284 465 L C -0.991 175.908 176.870 0.048 0.000 1.013 465 L CA -0.202 54.617 54.840 -0.036 0.000 0.819 465 L CB 1.114 43.172 42.059 -0.002 0.000 1.227 465 L HN 0.522 8.752 8.230 -0.000 0.000 0.417 466 I N 5.618 126.206 120.570 0.030 0.000 2.382 466 I HA 0.464 4.634 4.170 -0.000 0.000 0.286 466 I C -0.229 176.100 176.117 0.352 0.000 1.002 466 I CA -0.263 61.113 61.300 0.126 0.000 1.135 466 I CB 1.331 39.367 38.000 0.061 0.000 1.288 466 I HN 0.817 9.027 8.210 -0.000 0.000 0.448 467 Q N 4.540 124.539 119.800 0.331 0.000 2.553 467 Q HA 0.526 4.866 4.340 -0.000 0.000 0.293 467 Q C -0.604 175.507 176.000 0.184 0.000 1.038 467 Q CA -0.818 55.143 55.803 0.262 0.000 0.777 467 Q CB 1.788 30.619 28.738 0.156 0.000 1.487 467 Q HN 0.389 8.659 8.270 -0.000 0.000 0.426 468 N N -0.466 118.240 118.700 0.009 0.000 2.740 468 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 468 N C -1.421 174.096 175.510 0.012 0.000 1.062 468 N CA 1.431 54.466 53.050 -0.025 0.000 0.704 468 N CB -1.568 36.935 38.487 0.026 0.000 0.968 468 N HN 0.593 8.973 8.380 -0.000 0.000 0.547 469 F N -0.782 119.182 119.950 0.023 0.000 2.507 469 F HA 0.844 5.371 4.527 -0.000 0.000 0.327 469 F C 0.404 176.297 175.800 0.156 0.000 1.068 469 F CA -1.384 56.583 58.000 -0.054 0.000 0.965 469 F CB 1.325 40.148 39.000 -0.295 0.000 1.192 469 F HN 0.005 8.305 8.300 -0.000 0.000 0.476 470 M N 0.477 120.315 119.600 0.396 0.000 2.465 470 M HA 0.629 5.109 4.480 -0.000 0.000 0.284 470 M C -3.204 173.418 176.300 0.536 0.000 1.212 470 M CA -1.944 53.666 55.300 0.516 0.000 0.910 470 M CB 2.341 35.119 32.600 0.297 0.000 1.725 470 M HN 0.279 8.569 8.290 -0.000 0.000 0.477 471 P HA 0.089 4.509 4.420 -0.000 0.000 0.282 471 P C -0.040 177.555 177.300 0.490 0.000 1.286 471 P CA 0.012 63.379 63.100 0.445 0.000 0.777 471 P CB 0.101 31.953 31.700 0.254 0.000 1.184 472 E N -1.266 118.957 120.200 0.039 0.000 2.409 472 E HA -0.094 4.256 4.350 -0.000 0.000 0.198 472 E C -0.446 176.233 176.600 0.133 0.000 1.024 472 E CA 0.476 56.725 56.400 -0.251 0.000 0.861 472 E CB -0.607 28.434 29.700 -1.098 0.000 0.788 472 E HN 0.255 8.615 8.360 -0.000 0.000 0.521 473 D N 1.411 121.876 120.400 0.109 0.000 2.371 473 D HA 0.352 4.992 4.640 -0.000 0.000 0.256 473 D C -0.637 175.675 176.300 0.021 0.000 1.193 473 D CA 0.302 54.325 54.000 0.037 0.000 0.881 473 D CB 0.985 41.793 40.800 0.013 0.000 1.143 473 D HN 0.204 8.574 8.370 -0.000 0.000 0.473 474 I N 0.915 121.486 120.570 0.001 0.000 2.775 474 I HA 0.166 4.336 4.170 -0.000 0.000 0.295 474 I C -1.134 174.961 176.117 -0.037 0.000 1.287 474 I CA -0.304 60.961 61.300 -0.058 0.000 1.029 474 I CB 1.683 39.516 38.000 -0.279 0.000 1.282 474 I HN 0.083 8.293 8.210 -0.000 0.000 0.426 475 S N 4.984 120.668 115.700 -0.027 0.000 2.451 475 S HA 0.693 5.163 4.470 -0.000 0.000 0.301 475 S C -0.913 173.633 174.600 -0.090 0.000 1.116 475 S CA -0.543 57.646 58.200 -0.018 0.000 1.093 475 S CB 1.760 64.993 63.200 0.056 0.000 1.017 475 S HN 0.330 8.640 8.310 -0.000 0.000 0.482 476 V N 4.636 124.491 119.914 -0.098 0.000 2.495 476 V HA 0.587 4.707 4.120 -0.000 0.000 0.298 476 V C -0.369 175.558 176.094 -0.279 0.000 1.031 476 V CA -0.720 61.460 62.300 -0.199 0.000 0.871 476 V CB 1.548 33.279 31.823 -0.154 0.000 0.988 476 V HN 0.951 9.141 8.190 -0.000 0.000 0.432 477 Q N 2.652 122.197 119.800 -0.425 0.000 2.456 477 Q HA 0.630 4.970 4.340 -0.000 0.000 0.284 477 Q C -2.091 173.621 176.000 -0.481 0.000 1.061 477 Q CA -0.972 54.579 55.803 -0.420 0.000 0.799 477 Q CB 2.402 30.944 28.738 -0.327 0.000 1.445 477 Q HN 0.561 8.831 8.270 -0.000 0.000 0.411 478 W N 0.963 122.105 121.300 -0.262 0.000 2.689 478 W HA 0.653 5.313 4.660 -0.000 0.000 0.340 478 W C -1.191 175.324 176.519 -0.007 0.000 1.060 478 W CA -0.552 56.730 57.345 -0.106 0.000 1.218 478 W CB 1.599 31.019 29.460 -0.066 0.000 1.410 478 W HN 0.464 8.644 8.180 -0.000 0.000 0.528 479 L N 2.473 123.874 121.223 0.297 0.000 2.354 479 L HA 0.502 4.842 4.340 -0.000 0.000 0.269 479 L C -0.490 176.557 176.870 0.294 0.000 1.005 479 L CA -0.829 54.140 54.840 0.215 0.000 0.819 479 L CB 1.962 44.077 42.059 0.092 0.000 1.311 479 L HN 0.449 8.679 8.230 -0.000 0.000 0.423 480 H N 3.592 122.703 119.070 0.069 0.000 2.856 480 H HA 0.275 4.831 4.556 -0.000 0.000 0.355 480 H C -0.665 174.633 175.328 -0.050 0.000 1.079 480 H CA -0.596 55.424 56.048 -0.047 0.000 1.240 480 H CB 1.440 31.192 29.762 -0.017 0.000 1.701 480 H HN 0.713 8.993 8.280 -0.000 0.000 0.527 481 N N 4.432 122.912 118.700 -0.367 0.000 2.738 481 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 481 N C -0.371 175.071 175.510 -0.113 0.000 1.047 481 N CA 1.344 54.230 53.050 -0.274 0.000 0.707 481 N CB -0.722 37.579 38.487 -0.311 0.000 0.937 481 N HN 0.803 9.183 8.380 -0.000 0.000 0.545 482 E N -4.018 116.143 120.200 -0.065 0.000 3.065 482 E HA -0.213 4.137 4.350 -0.000 0.000 0.277 482 E C -0.155 176.443 176.600 -0.002 0.000 1.008 482 E CA 0.966 57.352 56.400 -0.024 0.000 0.864 482 E CB -1.793 27.890 29.700 -0.028 0.000 1.439 482 E HN 0.474 8.834 8.360 -0.000 0.000 0.445 483 V N 0.475 120.395 119.914 0.010 0.000 2.735 483 V HA 0.289 4.409 4.120 -0.000 0.000 0.310 483 V C 0.429 176.567 176.094 0.072 0.000 1.061 483 V CA -0.814 61.506 62.300 0.034 0.000 0.913 483 V CB 2.093 33.930 31.823 0.023 0.000 1.005 483 V HN 0.171 8.361 8.190 -0.000 0.000 0.428 484 Q N 3.169 123.007 119.800 0.065 0.000 2.286 484 Q HA 0.537 4.877 4.340 -0.000 0.000 0.257 484 Q C -1.045 175.017 176.000 0.104 0.000 0.941 484 Q CA -0.386 55.459 55.803 0.070 0.000 0.912 484 Q CB 1.018 29.765 28.738 0.015 0.000 1.192 484 Q HN 0.646 8.916 8.270 -0.000 0.000 0.410 485 L N 5.221 126.535 121.223 0.153 0.000 2.439 485 L HA 0.413 4.753 4.340 -0.000 0.000 0.261 485 L C -1.929 175.030 176.870 0.149 0.000 1.153 485 L CA -2.245 52.692 54.840 0.161 0.000 0.808 485 L CB 0.330 42.508 42.059 0.198 0.000 1.126 485 L HN 0.634 8.864 8.230 -0.000 0.000 0.460 486 P HA 0.019 4.439 4.420 -0.000 0.000 0.267 486 P C -0.153 177.217 177.300 0.117 0.000 1.205 486 P CA -0.125 63.031 63.100 0.093 0.000 0.765 486 P CB 0.452 32.187 31.700 0.058 0.000 0.828 487 D N 3.145 123.604 120.400 0.099 0.000 2.191 487 D HA -0.260 4.380 4.640 -0.000 0.000 0.190 487 D C 1.735 177.907 176.300 -0.214 0.000 1.007 487 D CA 2.255 56.258 54.000 0.004 0.000 0.865 487 D CB -0.491 40.300 40.800 -0.015 0.000 0.929 487 D HN 0.445 8.815 8.370 -0.000 0.000 0.447 488 A N 0.263 123.023 122.820 -0.100 0.000 2.172 488 A HA -0.104 4.215 4.320 -0.000 0.000 0.216 488 A C 2.048 179.575 177.584 -0.095 0.000 1.154 488 A CA 0.629 52.599 52.037 -0.112 0.000 0.701 488 A CB -0.144 18.823 19.000 -0.055 0.000 0.789 488 A HN 0.002 8.152 8.150 -0.000 0.000 0.465 489 R N 0.200 120.675 120.500 -0.042 0.000 2.148 489 R HA -0.032 4.308 4.340 -0.000 0.000 0.223 489 R C 0.588 176.881 176.300 -0.012 0.000 1.088 489 R CA 1.026 57.120 56.100 -0.010 0.000 0.985 489 R CB -0.348 29.980 30.300 0.046 0.000 0.880 489 R HN 0.913 9.183 8.270 -0.000 0.000 0.451 490 H N -2.653 116.407 119.070 -0.016 0.000 2.676 490 H HA 0.479 5.035 4.556 -0.000 0.000 0.352 490 H C -1.060 174.299 175.328 0.052 0.000 1.193 490 H CA -0.620 55.425 56.048 -0.005 0.000 1.243 490 H CB 1.685 31.518 29.762 0.119 0.000 1.751 490 H HN -0.202 8.078 8.280 -0.000 0.000 0.567 491 S N 0.506 116.301 115.700 0.159 0.000 2.647 491 S HA 0.389 4.859 4.470 -0.000 0.000 0.300 491 S C -1.262 173.485 174.600 0.246 0.000 1.129 491 S CA -0.506 57.757 58.200 0.105 0.000 1.029 491 S CB 0.878 64.113 63.200 0.058 0.000 1.007 491 S HN 0.728 9.038 8.310 -0.000 0.000 0.484 492 T N 3.804 118.501 114.554 0.238 0.000 2.807 492 T HA 0.544 4.894 4.350 -0.000 0.000 0.279 492 T C 0.394 175.207 174.700 0.188 0.000 0.993 492 T CA -0.617 61.645 62.100 0.270 0.000 0.970 492 T CB 1.493 70.535 68.868 0.290 0.000 0.950 492 T HN 0.799 9.039 8.240 -0.000 0.000 0.441 493 T N 0.978 115.662 114.554 0.218 0.000 2.754 493 T HA 0.371 4.721 4.350 -0.000 0.000 0.286 493 T C 0.191 174.960 174.700 0.115 0.000 0.997 493 T CA -0.962 61.239 62.100 0.169 0.000 0.982 493 T CB 0.357 69.364 68.868 0.231 0.000 1.027 493 T HN 0.697 8.937 8.240 -0.000 0.000 0.529 494 Q N -0.194 119.642 119.800 0.060 0.000 2.259 494 Q HA 0.426 4.766 4.340 -0.000 0.000 0.249 494 Q C -2.753 173.226 176.000 -0.035 0.000 0.914 494 Q CA -2.246 53.565 55.803 0.013 0.000 0.904 494 Q CB -0.060 28.673 28.738 -0.010 0.000 1.213 494 Q HN 0.317 8.587 8.270 -0.000 0.000 0.428 495 P HA -0.043 4.377 4.420 -0.000 0.000 0.255 495 P C -0.974 176.239 177.300 -0.145 0.000 1.173 495 P CA 0.584 63.627 63.100 -0.095 0.000 0.780 495 P CB 0.321 31.922 31.700 -0.164 0.000 0.758 496 R N 2.749 123.026 120.500 -0.372 0.000 2.668 496 R HA 0.385 4.725 4.340 -0.000 0.000 0.279 496 R C 0.176 176.348 176.300 -0.213 0.000 0.976 496 R CA -0.985 54.898 56.100 -0.362 0.000 0.978 496 R CB 1.552 31.423 30.300 -0.715 0.000 1.133 496 R HN 0.325 8.595 8.270 -0.000 0.000 0.484 497 K N 1.325 121.729 120.400 0.007 0.000 2.322 497 K HA 0.074 4.394 4.320 -0.000 0.000 0.283 497 K C 0.346 177.006 176.600 0.101 0.000 1.042 497 K CA -0.107 56.152 56.287 -0.047 0.000 0.958 497 K CB 1.008 33.463 32.500 -0.074 0.000 0.984 497 K HN 0.621 8.871 8.250 -0.000 0.000 0.473 498 T N -0.106 114.487 114.554 0.065 0.000 2.732 498 T HA 0.126 4.476 4.350 -0.000 0.000 0.287 498 T C 1.127 175.837 174.700 0.016 0.000 0.993 498 T CA -0.591 61.584 62.100 0.126 0.000 0.966 498 T CB 0.670 69.566 68.868 0.045 0.000 1.047 498 T HN 0.355 8.595 8.240 -0.000 0.000 0.527 499 K N 0.646 121.051 120.400 0.009 0.000 2.155 499 K HA 0.108 4.428 4.320 -0.000 0.000 0.203 499 K C 1.824 178.403 176.600 -0.035 0.000 1.052 499 K CA 1.043 57.323 56.287 -0.011 0.000 0.948 499 K CB -1.256 31.238 32.500 -0.009 0.000 0.728 499 K HN 0.765 9.015 8.250 -0.000 0.000 0.448 500 G N 0.386 109.158 108.800 -0.046 0.000 2.466 500 G HA2 -0.127 3.832 3.960 -0.000 0.000 0.204 500 G HA3 -0.127 3.832 3.960 -0.000 0.000 0.204 500 G C 1.127 175.967 174.900 -0.099 0.000 1.600 500 G CA 0.447 45.511 45.100 -0.061 0.000 1.038 500 G HN 0.290 8.580 8.290 -0.000 0.000 0.515 501 S N -1.381 114.243 115.700 -0.127 0.000 2.520 501 S HA 0.323 4.793 4.470 -0.000 0.000 0.219 501 S C 1.185 175.581 174.600 -0.341 0.000 1.028 501 S CA 0.647 58.738 58.200 -0.182 0.000 0.921 501 S CB -0.327 62.805 63.200 -0.114 0.000 0.844 501 S HN 0.835 9.145 8.310 -0.000 0.000 0.495 502 G N 0.227 108.842 108.800 -0.309 0.000 2.543 502 G HA2 0.553 4.513 3.960 -0.000 0.000 0.290 502 G HA3 0.553 4.513 3.960 -0.000 0.000 0.290 502 G C -0.815 173.698 174.900 -0.645 0.000 1.310 502 G CA -0.468 44.385 45.100 -0.413 0.000 1.025 502 G HN 0.291 8.581 8.290 -0.000 0.000 0.502 503 F N -0.909 118.743 119.950 -0.496 0.000 2.523 503 F HA 0.666 5.193 4.527 -0.000 0.000 0.329 503 F C -0.017 175.349 175.800 -0.725 0.000 1.061 503 F CA -0.624 57.005 58.000 -0.617 0.000 0.967 503 F CB 2.211 40.791 39.000 -0.700 0.000 1.218 503 F HN 0.515 8.815 8.300 -0.000 0.000 0.480 504 F N 0.212 120.049 119.950 -0.188 0.000 2.620 504 F HA 0.896 5.423 4.527 -0.000 0.000 0.320 504 F C -1.744 174.139 175.800 0.139 0.000 1.069 504 F CA -1.501 56.465 58.000 -0.057 0.000 0.953 504 F CB 1.381 40.345 39.000 -0.061 0.000 1.322 504 F HN 0.395 8.695 8.300 -0.000 0.000 0.479 505 V N 2.388 122.539 119.914 0.396 0.000 2.932 505 V HA 0.631 4.751 4.120 -0.000 0.000 0.307 505 V C -1.975 174.263 176.094 0.240 0.000 1.147 505 V CA -0.879 61.604 62.300 0.305 0.000 0.951 505 V CB 2.098 34.098 31.823 0.295 0.000 1.031 505 V HN 0.800 8.990 8.190 -0.000 0.000 0.426 506 F N 3.170 123.327 119.950 0.344 0.000 2.507 506 F HA 0.811 5.338 4.527 -0.000 0.000 0.327 506 F C 0.449 176.402 175.800 0.257 0.000 1.068 506 F CA -0.339 57.840 58.000 0.298 0.000 0.965 506 F CB 2.318 41.486 39.000 0.279 0.000 1.192 506 F HN 0.482 8.782 8.300 -0.000 0.000 0.476 507 S N 2.161 118.158 115.700 0.495 0.000 2.619 507 S HA 0.515 4.985 4.470 -0.000 0.000 0.280 507 S C -1.206 173.716 174.600 0.537 0.000 1.150 507 S CA -0.697 57.793 58.200 0.483 0.000 0.978 507 S CB 0.985 64.448 63.200 0.438 0.000 1.041 507 S HN 0.708 9.018 8.310 -0.000 0.000 0.485 508 R N 3.484 124.204 120.500 0.367 0.000 2.445 508 R HA 0.707 5.047 4.340 -0.000 0.000 0.308 508 R C -1.778 174.496 176.300 -0.042 0.000 0.961 508 R CA -0.730 55.469 56.100 0.165 0.000 0.862 508 R CB 1.159 31.514 30.300 0.092 0.000 1.144 508 R HN 0.532 8.802 8.270 -0.000 0.000 0.447 509 L N 3.440 124.432 121.223 -0.385 0.000 2.404 509 L HA 0.380 4.720 4.340 -0.000 0.000 0.272 509 L C -1.017 175.585 176.870 -0.446 0.000 0.980 509 L CA -0.190 54.296 54.840 -0.589 0.000 0.836 509 L CB 1.960 43.195 42.059 -1.374 0.000 1.238 509 L HN 0.648 8.878 8.230 -0.000 0.000 0.408 510 E N 4.055 124.090 120.200 -0.276 0.000 2.289 510 E HA 0.492 4.842 4.350 -0.000 0.000 0.278 510 E C -0.543 175.919 176.600 -0.230 0.000 1.032 510 E CA -0.385 55.889 56.400 -0.210 0.000 0.854 510 E CB 1.681 31.305 29.700 -0.125 0.000 1.046 510 E HN 0.535 8.895 8.360 -0.000 0.000 0.409 511 V N -0.189 119.595 119.914 -0.217 0.000 3.046 511 V HA 0.669 4.789 4.120 -0.000 0.000 0.316 511 V C 0.085 176.175 176.094 -0.006 0.000 1.104 511 V CA -0.873 61.318 62.300 -0.181 0.000 1.006 511 V CB 1.741 33.298 31.823 -0.444 0.000 1.058 511 V HN 0.772 8.962 8.190 -0.000 0.000 0.440 512 T N -0.734 113.806 114.554 -0.022 0.000 2.936 512 T HA 0.470 4.820 4.350 -0.000 0.000 0.282 512 T C 0.820 175.270 174.700 -0.417 0.000 1.003 512 T CA -0.075 61.961 62.100 -0.107 0.000 1.005 512 T CB 1.746 70.542 68.868 -0.120 0.000 1.097 512 T HN 0.937 9.177 8.240 -0.000 0.000 0.532 513 R N 0.295 120.308 120.500 -0.812 0.000 2.115 513 R HA 0.017 4.357 4.340 -0.000 0.000 0.230 513 R C 2.437 178.125 176.300 -1.021 0.000 1.111 513 R CA 1.342 56.389 56.100 -1.754 0.000 0.976 513 R CB -0.972 28.718 30.300 -1.017 0.000 0.870 513 R HN 0.813 9.083 8.270 -0.000 0.000 0.445 514 A N 0.974 123.502 122.820 -0.487 0.000 1.940 514 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 514 A C 1.862 179.341 177.584 -0.176 0.000 1.176 514 A CA 1.776 53.652 52.037 -0.267 0.000 0.631 514 A CB -0.396 18.518 19.000 -0.143 0.000 0.814 514 A HN 0.539 8.689 8.150 -0.000 0.000 0.446 515 E N -1.248 118.881 120.200 -0.118 0.000 2.046 515 E HA -0.185 4.165 4.350 -0.000 0.000 0.190 515 E C 1.821 178.584 176.600 0.271 0.000 0.982 515 E CA 1.427 57.901 56.400 0.123 0.000 0.800 515 E CB -0.315 29.470 29.700 0.141 0.000 0.756 515 E HN 1.024 9.384 8.360 -0.000 0.000 0.449 516 W N 1.612 123.091 121.300 0.299 0.000 2.595 516 W HA 0.060 4.720 4.660 -0.000 0.000 0.257 516 W C 1.192 177.816 176.519 0.176 0.000 1.267 516 W CA 0.422 57.955 57.345 0.313 0.000 1.300 516 W CB -0.212 29.457 29.460 0.349 0.000 1.120 516 W HN -0.064 8.116 8.180 -0.000 0.000 0.618 517 E N 0.342 120.515 120.200 -0.045 0.000 2.216 517 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 517 E C 2.243 178.877 176.600 0.057 0.000 0.988 517 E CA 0.911 57.327 56.400 0.027 0.000 0.834 517 E CB -0.316 29.309 29.700 -0.124 0.000 0.772 517 E HN 0.325 8.685 8.360 -0.000 0.000 0.479 518 Q N 1.259 121.091 119.800 0.053 0.000 2.119 518 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 518 Q C 0.053 176.075 176.000 0.037 0.000 0.972 518 Q CA 1.100 56.929 55.803 0.043 0.000 0.847 518 Q CB 0.359 29.131 28.738 0.056 0.000 0.903 518 Q HN -0.127 8.143 8.270 -0.000 0.000 0.433 519 K N 0.650 121.111 120.400 0.101 0.000 2.560 519 K HA 0.061 4.381 4.320 -0.000 0.000 0.276 519 K C -2.157 174.525 176.600 0.137 0.000 1.025 519 K CA -0.096 56.218 56.287 0.046 0.000 0.974 519 K CB 0.963 33.374 32.500 -0.148 0.000 1.347 519 K HN -0.123 8.127 8.250 -0.000 0.000 0.447 520 D N 3.529 124.027 120.400 0.164 0.000 2.741 520 D HA 0.182 4.822 4.640 -0.000 0.000 0.233 520 D C -1.150 175.246 176.300 0.160 0.000 1.160 520 D CA 0.291 54.444 54.000 0.256 0.000 1.003 520 D CB 0.180 41.133 40.800 0.255 0.000 1.064 520 D HN 0.535 8.905 8.370 -0.000 0.000 0.503 521 E N 1.543 121.749 120.200 0.011 0.000 2.415 521 E HA 0.227 4.577 4.350 -0.000 0.000 0.302 521 E C -1.599 174.921 176.600 -0.134 0.000 0.907 521 E CA -0.574 55.849 56.400 0.039 0.000 0.798 521 E CB 0.635 30.342 29.700 0.011 0.000 1.315 521 E HN -0.009 8.351 8.360 -0.000 0.000 0.396 522 F N 3.930 124.010 119.950 0.216 0.000 2.540 522 F HA 0.563 5.090 4.527 -0.000 0.000 0.317 522 F C -0.105 175.845 175.800 0.249 0.000 1.104 522 F CA -0.645 57.515 58.000 0.267 0.000 0.913 522 F CB 1.521 40.663 39.000 0.238 0.000 1.170 522 F HN 0.304 8.604 8.300 -0.000 0.000 0.450 523 I N 2.759 123.545 120.570 0.361 0.000 2.433 523 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 523 I C -0.817 175.277 176.117 -0.037 0.000 1.001 523 I CA -0.740 60.641 61.300 0.134 0.000 1.119 523 I CB 1.678 39.703 38.000 0.041 0.000 1.289 523 I HN 0.612 8.822 8.210 -0.000 0.000 0.438 524 c N 7.570 125.956 118.600 -0.357 0.000 2.265 524 c HA 0.576 5.146 4.570 -0.000 0.000 0.332 524 c C 0.189 173.967 174.090 -0.520 0.000 1.248 524 c CA -0.437 55.358 56.329 -0.890 0.000 1.727 524 c CB -0.067 41.769 42.510 -1.123 0.000 2.348 524 c HN 0.918 9.148 8.230 -0.000 0.000 0.519 525 R N 4.903 125.115 120.500 -0.480 0.000 2.437 525 R HA 0.693 5.033 4.340 -0.000 0.000 0.310 525 R C -0.734 175.390 176.300 -0.294 0.000 0.955 525 R CA -0.190 55.728 56.100 -0.304 0.000 0.851 525 R CB 1.292 31.468 30.300 -0.207 0.000 1.161 525 R HN 0.875 9.145 8.270 -0.000 0.000 0.446 526 A N 4.380 127.060 122.820 -0.234 0.000 2.271 526 A HA 0.489 4.809 4.320 -0.000 0.000 0.317 526 A C -0.862 176.650 177.584 -0.119 0.000 1.245 526 A CA -0.659 51.256 52.037 -0.203 0.000 0.857 526 A CB 1.304 20.164 19.000 -0.233 0.000 1.175 526 A HN 0.497 8.647 8.150 -0.000 0.000 0.512 527 V N 4.728 124.604 119.914 -0.062 0.000 2.394 527 V HA 0.449 4.569 4.120 -0.000 0.000 0.282 527 V C -0.041 176.095 176.094 0.071 0.000 1.031 527 V CA -0.235 62.085 62.300 0.033 0.000 0.881 527 V CB 1.018 32.924 31.823 0.138 0.000 0.982 527 V HN 0.951 9.141 8.190 -0.000 0.000 0.451 528 H N 2.867 121.899 119.070 -0.062 0.000 3.038 528 H HA 0.230 4.786 4.556 -0.000 0.000 0.362 528 H C 0.642 175.886 175.328 -0.139 0.000 1.167 528 H CA -0.402 55.603 56.048 -0.071 0.000 1.197 528 H CB 2.351 32.016 29.762 -0.162 0.000 1.840 528 H HN 0.770 9.050 8.280 -0.000 0.000 0.540 529 E N 2.828 122.771 120.200 -0.428 0.000 2.187 529 E HA -0.163 4.187 4.350 -0.000 0.000 0.199 529 E C 0.868 177.366 176.600 -0.170 0.000 1.004 529 E CA 1.680 57.869 56.400 -0.351 0.000 0.813 529 E CB 0.126 29.751 29.700 -0.125 0.000 0.736 529 E HN 0.542 8.902 8.360 -0.000 0.000 0.468 530 A N -0.344 122.613 122.820 0.229 0.000 2.503 530 A HA 0.510 4.830 4.320 -0.000 0.000 0.263 530 A C 0.648 178.275 177.584 0.071 0.000 1.258 530 A CA 0.279 52.415 52.037 0.165 0.000 0.936 530 A CB 0.544 19.696 19.000 0.253 0.000 1.070 530 A HN 0.195 8.345 8.150 -0.000 0.000 0.522 531 A N 1.069 123.911 122.820 0.036 0.000 2.807 531 A HA 0.569 4.889 4.320 -0.000 0.000 0.307 531 A C 0.436 177.978 177.584 -0.071 0.000 1.532 531 A CA -0.161 51.854 52.037 -0.037 0.000 1.215 531 A CB -0.604 18.368 19.000 -0.047 0.000 1.127 531 A HN 0.253 8.403 8.150 -0.000 0.000 0.543 532 S N 2.615 118.280 115.700 -0.059 0.000 2.584 532 S HA 0.299 4.769 4.470 -0.000 0.000 0.270 532 S C -1.080 173.487 174.600 -0.056 0.000 1.346 532 S CA -0.359 57.805 58.200 -0.060 0.000 1.018 532 S CB 0.510 63.684 63.200 -0.043 0.000 0.899 532 S HN 0.708 9.018 8.310 -0.000 0.000 0.542 533 P HA 0.153 4.573 4.420 -0.000 0.000 0.261 533 P C 0.178 177.444 177.300 -0.057 0.000 1.268 533 P CA 0.118 63.190 63.100 -0.047 0.000 0.833 533 P CB 0.182 31.861 31.700 -0.034 0.000 1.231 534 S N -1.289 114.371 115.700 -0.066 0.000 2.952 534 S HA 0.140 4.610 4.470 -0.000 0.000 0.251 534 S C 0.407 174.951 174.600 -0.093 0.000 1.021 534 S CA -0.427 57.736 58.200 -0.062 0.000 1.067 534 S CB -0.160 63.020 63.200 -0.034 0.000 1.002 534 S HN -0.106 8.204 8.310 -0.000 0.000 0.574 535 Q N -0.470 119.237 119.800 -0.156 0.000 2.416 535 Q HA -0.143 4.197 4.340 -0.000 0.000 0.235 535 Q C -0.500 175.442 176.000 -0.096 0.000 0.773 535 Q CA 1.600 57.267 55.803 -0.228 0.000 1.286 535 Q CB -3.081 25.382 28.738 -0.458 0.000 1.556 535 Q HN 0.657 8.927 8.270 -0.000 0.000 0.650 536 T N 0.347 114.860 114.554 -0.068 0.000 2.881 536 T HA 0.681 5.031 4.350 -0.000 0.000 0.290 536 T C -0.316 174.339 174.700 -0.074 0.000 1.000 536 T CA -0.119 61.950 62.100 -0.051 0.000 0.978 536 T CB 2.289 71.141 68.868 -0.027 0.000 0.997 536 T HN 0.226 8.466 8.240 -0.000 0.000 0.443 537 V N 1.906 121.761 119.914 -0.099 0.000 2.888 537 V HA 0.885 5.005 4.120 -0.000 0.000 0.309 537 V C -1.082 174.922 176.094 -0.150 0.000 1.114 537 V CA -1.191 61.037 62.300 -0.120 0.000 0.940 537 V CB 1.760 33.501 31.823 -0.137 0.000 1.021 537 V HN 0.981 9.171 8.190 -0.000 0.000 0.426 538 Q N 2.270 121.982 119.800 -0.147 0.000 2.456 538 Q HA 0.861 5.201 4.340 -0.000 0.000 0.284 538 Q C -1.323 174.583 176.000 -0.156 0.000 1.061 538 Q CA -1.128 54.576 55.803 -0.165 0.000 0.799 538 Q CB 3.352 32.010 28.738 -0.132 0.000 1.445 538 Q HN 0.776 9.046 8.270 -0.000 0.000 0.411 539 R N 0.256 120.655 120.500 -0.169 0.000 2.548 539 R HA 0.739 5.079 4.340 -0.000 0.000 0.280 539 R C -1.557 174.693 176.300 -0.084 0.000 1.061 539 R CA -0.096 55.924 56.100 -0.134 0.000 0.915 539 R CB 2.463 32.657 30.300 -0.177 0.000 1.210 539 R HN 0.867 9.137 8.270 -0.000 0.000 0.442 540 A N 2.223 125.028 122.820 -0.025 0.000 2.252 540 A HA 0.783 5.103 4.320 -0.000 0.000 0.305 540 A C -0.959 176.672 177.584 0.078 0.000 1.097 540 A CA -0.515 51.552 52.037 0.050 0.000 0.849 540 A CB 1.527 20.558 19.000 0.051 0.000 1.142 540 A HN 0.524 8.674 8.150 -0.000 0.000 0.499 541 V N -0.137 119.876 119.914 0.166 0.000 3.077 541 V HA 0.651 4.771 4.120 -0.000 0.000 0.299 541 V C -0.752 175.474 176.094 0.221 0.000 1.276 541 V CA -0.295 62.102 62.300 0.161 0.000 0.993 541 V CB 2.422 34.346 31.823 0.168 0.000 1.076 541 V HN 1.055 9.245 8.190 -0.000 0.000 0.434 542 S N 3.247 119.038 115.700 0.151 0.000 2.532 542 S HA 0.548 5.018 4.470 -0.000 0.000 0.301 542 S C 0.597 175.224 174.600 0.045 0.000 1.083 542 S CA -0.322 57.968 58.200 0.149 0.000 1.025 542 S CB 1.868 65.129 63.200 0.101 0.000 1.056 542 S HN 0.688 8.998 8.310 -0.000 0.000 0.494 543 V N 2.271 122.166 119.914 -0.032 0.000 2.358 543 V HA -0.070 4.050 4.120 -0.000 0.000 0.246 543 V C 0.770 176.698 176.094 -0.276 0.000 1.047 543 V CA 1.151 63.270 62.300 -0.301 0.000 1.035 543 V CB -1.088 30.241 31.823 -0.823 0.000 0.658 543 V HN 0.942 9.132 8.190 -0.000 0.000 0.452 544 N N 0.000 118.584 118.700 -0.193 0.000 1.763 544 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 544 N CA 0.000 52.983 53.050 -0.112 0.000 0.885 544 N CB 0.000 38.453 38.487 -0.057 0.000 1.341 544 N HN 0.000 8.380 8.380 -0.000 0.000 0.667