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 1hci_1_A DATA FIRST_RESID 272 DATA SEQUENCE SSAVNQENER LMEEYERLAS ELLEWIRRTI PWLENRTPEK TMQAMQKKLE DATA SEQUENCE DFRDYRRKHK PPKVQEKCQL EINFNTLQTK LRISNRPAFM PSEGKMVSDI DATA SEQUENCE AGAWQRLEQA EKGYEEWLLN EIRRLERLEH LAEKFRQKAS THETWAYGKE DATA SEQUENCE QILLQKDYES ASLTEVRALL RKHEAFESDL AAHQDRVEQI AAIAQELNEL DATA SEQUENCE DYHDAVNVND RCQKICDQWD RLGTLTQKRR EALERMEKLL ETIDQLHLEF DATA SEQUENCE AKRAAPFNNW MEGAMEDLQD MFIVHSIEEI QSLITAHEQF KATLPEADGE DATA SEQUENCE RQSIMAIQNE VEKVIQSYNI RISSSNPYST VTMDELRTKW DKVKQLVPIR DATA SEQUENCE DQSLQEELAR QHANERLRRQ FAAQANAIGP WIQNKMEEIA RSSIQITGAL DATA SEQUENCE EDQMNQLKQY EHNIINYKNN IDKLEGDHQL IQEALVFDNK HTNYTMEHIR DATA SEQUENCE VGWELLLTTI ARTINEVETQ ILTRD 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 272 S HA 0.000 nan 4.470 nan 0.000 0.327 272 S C 0.000 174.591 174.600 -0.015 0.000 1.055 272 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 272 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 273 S N 1.914 117.606 115.700 -0.014 0.000 2.631 273 S HA 0.653 5.123 4.470 -0.000 0.000 0.217 273 S C 1.509 176.099 174.600 -0.017 0.000 0.958 273 S CA 0.330 58.520 58.200 -0.017 0.000 0.920 273 S CB 0.251 63.442 63.200 -0.015 0.000 0.776 273 S HN 0.959 nan 8.310 nan 0.000 0.517 274 A N 1.235 124.046 122.820 -0.016 0.000 1.975 274 A HA 0.282 4.602 4.320 -0.000 0.000 0.215 274 A C 2.090 179.663 177.584 -0.018 0.000 1.170 274 A CA 0.933 52.961 52.037 -0.015 0.000 0.656 274 A CB -0.565 18.428 19.000 -0.012 0.000 0.821 274 A HN 0.450 nan 8.150 nan 0.000 0.449 275 V N 1.007 120.910 119.914 -0.019 0.000 2.649 275 V HA -0.133 3.986 4.120 -0.000 0.000 0.248 275 V C 1.785 177.861 176.094 -0.029 0.000 1.054 275 V CA 1.529 63.816 62.300 -0.022 0.000 1.073 275 V CB -0.778 31.033 31.823 -0.020 0.000 0.699 275 V HN 0.521 nan 8.190 nan 0.000 0.463 276 N N 0.162 118.844 118.700 -0.030 0.000 2.512 276 N HA -0.126 4.614 4.740 -0.000 0.000 0.183 276 N C 1.816 177.301 175.510 -0.042 0.000 1.073 276 N CA 0.803 53.830 53.050 -0.039 0.000 0.911 276 N CB -0.049 38.418 38.487 -0.034 0.000 0.964 276 N HN 0.603 nan 8.380 nan 0.000 0.447 277 Q N 0.498 120.279 119.800 -0.032 0.000 2.123 277 Q HA -0.049 4.291 4.340 -0.000 0.000 0.199 277 Q C 0.887 176.868 176.000 -0.032 0.000 0.966 277 Q CA 1.030 56.815 55.803 -0.030 0.000 0.845 277 Q CB 0.140 28.865 28.738 -0.021 0.000 0.907 277 Q HN 0.398 nan 8.270 nan 0.000 0.439 278 E N -0.052 120.130 120.200 -0.031 0.000 2.452 278 E HA 0.008 4.358 4.350 -0.000 0.000 0.197 278 E C 1.055 177.630 176.600 -0.042 0.000 1.022 278 E CA -0.083 56.300 56.400 -0.029 0.000 0.890 278 E CB 0.231 29.919 29.700 -0.020 0.000 0.918 278 E HN 0.158 nan 8.360 nan 0.000 0.496 279 N N 0.839 119.506 118.700 -0.056 0.000 2.398 279 N HA -0.051 4.689 4.740 -0.000 0.000 0.188 279 N C 0.773 176.202 175.510 -0.135 0.000 1.122 279 N CA 0.502 53.504 53.050 -0.081 0.000 0.866 279 N CB 0.418 38.860 38.487 -0.074 0.000 0.970 279 N HN 0.273 nan 8.380 nan 0.000 0.462 280 E N -0.136 119.999 120.200 -0.109 0.000 2.256 280 E HA 0.003 4.353 4.350 -0.000 0.000 0.198 280 E C 1.912 178.455 176.600 -0.095 0.000 0.908 280 E CA 0.005 56.329 56.400 -0.128 0.000 0.915 280 E CB 0.218 29.868 29.700 -0.084 0.000 0.890 280 E HN 0.368 nan 8.360 nan 0.000 0.484 281 R N 0.645 121.114 120.500 -0.052 0.000 2.115 281 R HA -0.038 4.302 4.340 -0.000 0.000 0.230 281 R C 1.424 177.724 176.300 -0.002 0.000 1.111 281 R CA 0.898 56.987 56.100 -0.019 0.000 0.976 281 R CB -0.306 29.988 30.300 -0.010 0.000 0.870 281 R HN 0.007 nan 8.270 nan 0.000 0.445 282 L N 1.668 122.881 121.223 -0.018 0.000 2.645 282 L HA 0.208 4.548 4.340 -0.000 0.000 0.235 282 L C 1.535 178.424 176.870 0.031 0.000 1.150 282 L CA 0.969 55.820 54.840 0.018 0.000 0.911 282 L CB 0.039 42.102 42.059 0.006 0.000 1.077 282 L HN 0.509 nan 8.230 nan 0.000 0.438 283 M N -4.613 114.956 119.600 -0.051 0.000 2.109 283 M HA 0.260 4.740 4.480 -0.000 0.000 0.372 283 M C 1.247 177.577 176.300 0.050 0.000 0.840 283 M CA 0.215 55.402 55.300 -0.189 0.000 1.128 283 M CB 0.170 32.090 32.600 -1.133 0.000 2.136 283 M HN -0.030 nan 8.290 nan 0.000 0.723 284 E N 1.699 121.925 120.200 0.043 0.000 2.307 284 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 284 E C 1.479 178.154 176.600 0.126 0.000 0.975 284 E CA 1.113 57.564 56.400 0.085 0.000 0.878 284 E CB 0.314 30.028 29.700 0.023 0.000 0.845 284 E HN 0.622 nan 8.360 nan 0.000 0.488 285 E N 0.092 120.369 120.200 0.128 0.000 2.077 285 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 285 E C 1.950 178.646 176.600 0.159 0.000 0.989 285 E CA 1.337 57.806 56.400 0.116 0.000 0.800 285 E CB -0.627 29.139 29.700 0.109 0.000 0.746 285 E HN 0.331 nan 8.360 nan 0.000 0.452 286 Y N 1.391 121.779 120.300 0.147 0.000 2.070 286 Y HA -0.262 4.288 4.550 -0.000 0.000 0.280 286 Y C 2.043 178.013 175.900 0.116 0.000 1.148 286 Y CA 2.325 60.521 58.100 0.159 0.000 1.125 286 Y CB -0.216 38.412 38.460 0.280 0.000 0.975 286 Y HN 0.058 nan 8.280 nan 0.000 0.492 287 E N 0.630 120.980 120.200 0.249 0.000 2.013 287 E HA -0.290 4.060 4.350 -0.000 0.000 0.202 287 E C 2.169 178.767 176.600 -0.003 0.000 1.018 287 E CA 2.122 58.592 56.400 0.116 0.000 0.834 287 E CB -0.798 29.013 29.700 0.184 0.000 0.770 287 E HN 0.683 nan 8.360 nan 0.000 0.459 288 R N 0.385 120.902 120.500 0.028 0.000 2.276 288 R HA -0.148 4.192 4.340 -0.000 0.000 0.243 288 R C 2.046 178.328 176.300 -0.029 0.000 1.161 288 R CA 1.385 57.488 56.100 0.005 0.000 1.007 288 R CB -0.339 29.971 30.300 0.017 0.000 0.867 288 R HN 0.100 nan 8.270 nan 0.000 0.472 289 L N -0.209 120.971 121.223 -0.071 0.000 2.435 289 L HA 0.344 4.684 4.340 -0.000 0.000 0.195 289 L C 2.436 179.209 176.870 -0.162 0.000 1.072 289 L CA 1.411 56.190 54.840 -0.101 0.000 0.833 289 L CB -0.552 41.451 42.059 -0.094 0.000 1.081 289 L HN 0.205 nan 8.230 nan 0.000 0.485 290 A N -1.077 121.548 122.820 -0.325 0.000 2.032 290 A HA -0.214 4.106 4.320 -0.000 0.000 0.221 290 A C 2.319 179.795 177.584 -0.180 0.000 1.165 290 A CA 2.302 54.101 52.037 -0.397 0.000 0.645 290 A CB -0.638 17.826 19.000 -0.893 0.000 0.807 290 A HN 0.479 nan 8.150 nan 0.000 0.453 291 S N -1.167 114.463 115.700 -0.115 0.000 2.356 291 S HA -0.070 4.400 4.470 -0.000 0.000 0.219 291 S C 1.802 176.402 174.600 -0.000 0.000 1.036 291 S CA 0.797 58.977 58.200 -0.034 0.000 0.965 291 S CB -0.338 62.855 63.200 -0.012 0.000 0.864 291 S HN 0.723 nan 8.310 nan 0.000 0.471 292 E N 0.604 120.798 120.200 -0.011 0.000 2.197 292 E HA -0.256 4.094 4.350 -0.000 0.000 0.205 292 E C 1.855 178.483 176.600 0.047 0.000 1.029 292 E CA 1.203 57.611 56.400 0.012 0.000 0.828 292 E CB -0.135 29.555 29.700 -0.018 0.000 0.737 292 E HN 0.292 nan 8.360 nan 0.000 0.464 293 L N 0.107 121.349 121.223 0.031 0.000 2.022 293 L HA -0.070 4.270 4.340 -0.000 0.000 0.204 293 L C 2.165 179.152 176.870 0.196 0.000 1.076 293 L CA 1.270 56.169 54.840 0.098 0.000 0.749 293 L CB -0.473 41.613 42.059 0.045 0.000 0.903 293 L HN 0.170 nan 8.230 nan 0.000 0.439 294 L N 0.122 121.420 121.223 0.124 0.000 2.171 294 L HA -0.290 4.050 4.340 -0.000 0.000 0.216 294 L C 2.420 179.366 176.870 0.128 0.000 1.084 294 L CA 1.840 56.754 54.840 0.123 0.000 0.771 294 L CB -0.853 41.243 42.059 0.062 0.000 0.890 294 L HN 0.545 nan 8.230 nan 0.000 0.437 295 E N -1.555 118.722 120.200 0.128 0.000 2.435 295 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 295 E C 1.796 178.482 176.600 0.144 0.000 1.029 295 E CA 0.427 56.891 56.400 0.106 0.000 0.865 295 E CB -0.551 29.200 29.700 0.085 0.000 0.833 295 E HN 0.527 nan 8.360 nan 0.000 0.510 296 W N 1.767 123.083 121.300 0.027 0.000 2.488 296 W HA 0.057 4.716 4.660 -0.000 0.000 0.304 296 W C 1.695 178.225 176.519 0.019 0.000 1.175 296 W CA 1.365 58.728 57.345 0.030 0.000 1.365 296 W CB -0.177 29.319 29.460 0.061 0.000 1.131 296 W HN 0.161 nan 8.180 nan 0.000 0.520 297 I N 0.461 121.173 120.570 0.237 0.000 2.800 297 I HA -0.090 4.080 4.170 -0.000 0.000 0.266 297 I C 2.101 178.154 176.117 -0.107 0.000 1.249 297 I CA 1.705 63.012 61.300 0.011 0.000 1.458 297 I CB -1.004 37.087 38.000 0.151 0.000 1.093 297 I HN -0.072 nan 8.210 nan 0.000 0.466 298 R N 2.380 122.846 120.500 -0.057 0.000 2.052 298 R HA -0.006 4.333 4.340 -0.000 0.000 0.226 298 R C 2.521 178.742 176.300 -0.131 0.000 1.145 298 R CA 1.995 58.055 56.100 -0.067 0.000 0.952 298 R CB -0.535 29.756 30.300 -0.014 0.000 0.847 298 R HN 0.604 nan 8.270 nan 0.000 0.431 299 R N -1.074 119.328 120.500 -0.163 0.000 2.237 299 R HA 0.025 4.365 4.340 -0.000 0.000 0.219 299 R C 1.129 177.250 176.300 -0.299 0.000 1.080 299 R CA 1.734 57.719 56.100 -0.192 0.000 0.995 299 R CB -0.381 29.820 30.300 -0.165 0.000 0.875 299 R HN 0.106 nan 8.270 nan 0.000 0.462 300 T N 1.276 115.543 114.554 -0.478 0.000 3.010 300 T HA 0.209 4.559 4.350 -0.000 0.000 0.252 300 T C 1.792 176.293 174.700 -0.332 0.000 1.047 300 T CA 0.510 62.271 62.100 -0.565 0.000 1.140 300 T CB -0.000 68.197 68.868 -1.118 0.000 0.885 300 T HN 0.116 nan 8.240 nan 0.000 0.464 301 I N 2.312 122.714 120.570 -0.281 0.000 2.530 301 I HA -0.125 4.045 4.170 -0.000 0.000 0.257 301 I C -0.517 175.495 176.117 -0.174 0.000 1.179 301 I CA 1.030 62.206 61.300 -0.207 0.000 1.440 301 I CB -0.983 36.920 38.000 -0.162 0.000 1.087 301 I HN 0.255 nan 8.210 nan 0.000 0.440 302 P HA -0.174 nan 4.420 nan 0.000 0.220 302 P C 1.509 178.728 177.300 -0.134 0.000 1.154 302 P CA 1.050 64.075 63.100 -0.125 0.000 0.830 302 P CB -0.147 31.499 31.700 -0.090 0.000 0.803 303 W N 1.322 122.443 121.300 -0.297 0.000 2.333 303 W HA -0.132 4.528 4.660 -0.000 0.000 0.316 303 W C 1.069 177.342 176.519 -0.410 0.000 1.215 303 W CA 1.305 58.459 57.345 -0.317 0.000 1.278 303 W CB -0.717 28.523 29.460 -0.368 0.000 1.154 303 W HN -0.262 nan 8.180 nan 0.000 0.486 304 L N 0.572 121.538 121.223 -0.428 0.000 2.506 304 L HA -0.007 4.333 4.340 -0.000 0.000 0.199 304 L C 1.816 178.364 176.870 -0.537 0.000 1.178 304 L CA 1.033 55.409 54.840 -0.773 0.000 0.868 304 L CB -0.897 40.888 42.059 -0.458 0.000 1.451 304 L HN 0.331 nan 8.230 nan 0.000 0.526 305 E N -0.837 119.105 120.200 -0.430 0.000 4.586 305 E HA -0.383 3.967 4.350 -0.000 0.000 0.271 305 E C 1.359 177.762 176.600 -0.329 0.000 0.767 305 E CA 1.464 57.684 56.400 -0.300 0.000 1.491 305 E CB -0.695 28.865 29.700 -0.233 0.000 1.758 305 E HN 0.815 nan 8.360 nan 0.000 0.398 306 N N 0.434 118.893 118.700 -0.401 0.000 1.997 306 N HA -0.201 4.539 4.740 -0.000 0.000 0.198 306 N C 0.502 175.750 175.510 -0.437 0.000 1.070 306 N CA 2.503 55.331 53.050 -0.370 0.000 0.864 306 N CB -0.055 38.192 38.487 -0.400 0.000 1.066 306 N HN 0.251 nan 8.380 nan 0.000 0.425 307 R N -1.152 118.975 120.500 -0.621 0.000 3.651 307 R HA -0.122 4.218 4.340 -0.000 0.000 0.292 307 R C -0.884 174.924 176.300 -0.819 0.000 1.161 307 R CA 1.090 56.412 56.100 -1.296 0.000 0.787 307 R CB -2.978 26.609 30.300 -1.189 0.000 1.249 307 R HN 0.669 nan 8.270 nan 0.000 0.476 308 T N -0.573 113.779 114.554 -0.336 0.000 2.794 308 T HA 0.483 4.832 4.350 -0.000 0.000 0.304 308 T C -1.392 173.410 174.700 0.169 0.000 0.973 308 T CA -1.575 60.479 62.100 -0.077 0.000 0.972 308 T CB 1.103 69.932 68.868 -0.064 0.000 0.952 308 T HN 0.005 nan 8.240 nan 0.000 0.509 309 P HA 0.057 nan 4.420 nan 0.000 0.274 309 P C -0.166 177.223 177.300 0.148 0.000 1.224 309 P CA 0.132 63.432 63.100 0.334 0.000 0.803 309 P CB 0.557 32.393 31.700 0.227 0.000 0.876 310 E N -0.756 119.483 120.200 0.064 0.000 2.378 310 E HA 0.261 4.611 4.350 -0.000 0.000 0.265 310 E C 0.861 177.448 176.600 -0.022 0.000 0.932 310 E CA -0.758 55.650 56.400 0.014 0.000 0.795 310 E CB 1.349 31.044 29.700 -0.007 0.000 1.296 310 E HN 0.187 nan 8.360 nan 0.000 0.438 311 K N -0.246 120.132 120.400 -0.037 0.000 1.978 311 K HA 0.017 4.337 4.320 -0.000 0.000 0.221 311 K C 0.913 177.471 176.600 -0.069 0.000 1.036 311 K CA 1.783 58.026 56.287 -0.072 0.000 0.996 311 K CB -0.836 31.621 32.500 -0.073 0.000 0.755 311 K HN 0.748 nan 8.250 nan 0.000 0.445 312 T N -1.162 113.360 114.554 -0.052 0.000 2.793 312 T HA 0.100 4.450 4.350 -0.000 0.000 0.299 312 T C 1.183 175.857 174.700 -0.043 0.000 1.038 312 T CA -0.531 61.547 62.100 -0.037 0.000 0.948 312 T CB 0.758 69.611 68.868 -0.024 0.000 1.231 312 T HN 0.227 nan 8.240 nan 0.000 0.538 313 M N -0.252 119.325 119.600 -0.038 0.000 2.398 313 M HA 0.013 4.493 4.480 -0.000 0.000 0.261 313 M C 2.493 178.765 176.300 -0.047 0.000 1.125 313 M CA 0.928 56.195 55.300 -0.055 0.000 1.183 313 M CB -0.537 32.035 32.600 -0.047 0.000 1.322 313 M HN 0.814 nan 8.290 nan 0.000 0.467 314 Q N 0.564 120.347 119.800 -0.028 0.000 2.344 314 Q HA -0.210 4.130 4.340 -0.000 0.000 0.212 314 Q C 1.368 177.360 176.000 -0.014 0.000 0.991 314 Q CA 2.092 57.885 55.803 -0.017 0.000 0.897 314 Q CB -0.089 28.645 28.738 -0.007 0.000 0.915 314 Q HN 0.687 nan 8.270 nan 0.000 0.438 315 A N -0.329 122.479 122.820 -0.020 0.000 2.063 315 A HA 0.016 4.336 4.320 -0.000 0.000 0.211 315 A C 1.793 179.363 177.584 -0.023 0.000 1.177 315 A CA 0.599 52.629 52.037 -0.011 0.000 0.759 315 A CB -0.137 18.858 19.000 -0.008 0.000 0.857 315 A HN 0.390 nan 8.150 nan 0.000 0.468 316 M N 0.779 120.344 119.600 -0.057 0.000 2.476 316 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 316 M C 1.885 178.114 176.300 -0.117 0.000 1.079 316 M CA 1.645 56.878 55.300 -0.111 0.000 1.104 316 M CB -0.369 32.131 32.600 -0.167 0.000 1.409 316 M HN 0.611 nan 8.290 nan 0.000 0.467 317 Q N -1.616 118.141 119.800 -0.070 0.000 2.396 317 Q HA -0.001 4.339 4.340 -0.000 0.000 0.209 317 Q C 1.627 177.628 176.000 0.001 0.000 0.906 317 Q CA 0.557 56.330 55.803 -0.051 0.000 0.927 317 Q CB -0.419 28.294 28.738 -0.043 0.000 1.069 317 Q HN 0.256 nan 8.270 nan 0.000 0.523 318 K N 2.428 122.837 120.400 0.015 0.000 2.288 318 K HA -0.057 4.263 4.320 -0.000 0.000 0.201 318 K C 1.794 178.449 176.600 0.091 0.000 1.048 318 K CA 1.173 57.492 56.287 0.052 0.000 0.956 318 K CB 0.056 32.585 32.500 0.047 0.000 0.746 318 K HN 0.200 nan 8.250 nan 0.000 0.461 319 K N 0.114 120.555 120.400 0.068 0.000 2.217 319 K HA -0.025 4.295 4.320 -0.000 0.000 0.202 319 K C 1.901 178.601 176.600 0.167 0.000 1.051 319 K CA 0.975 57.334 56.287 0.120 0.000 0.952 319 K CB -0.048 32.481 32.500 0.048 0.000 0.736 319 K HN 0.298 nan 8.250 nan 0.000 0.453 320 L N 0.467 121.740 121.223 0.085 0.000 2.270 320 L HA 0.025 4.365 4.340 -0.000 0.000 0.210 320 L C 2.061 179.074 176.870 0.239 0.000 1.104 320 L CA 1.174 56.090 54.840 0.127 0.000 0.804 320 L CB -0.103 41.958 42.059 0.003 0.000 0.937 320 L HN 0.161 nan 8.230 nan 0.000 0.450 321 E N -0.246 120.059 120.200 0.174 0.000 2.268 321 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 321 E C 1.379 178.107 176.600 0.214 0.000 0.995 321 E CA 1.312 57.811 56.400 0.165 0.000 0.836 321 E CB 0.064 29.831 29.700 0.110 0.000 0.763 321 E HN 0.546 nan 8.360 nan 0.000 0.491 322 D N -0.100 120.472 120.400 0.287 0.000 2.103 322 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 322 D C 1.513 178.086 176.300 0.454 0.000 0.978 322 D CA 0.671 54.872 54.000 0.334 0.000 0.829 322 D CB -0.358 40.722 40.800 0.468 0.000 0.981 322 D HN 0.215 nan 8.370 nan 0.000 0.464 323 F N 2.135 122.387 119.950 0.503 0.000 2.126 323 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 323 F C 2.350 178.412 175.800 0.436 0.000 1.096 323 F CA 1.372 59.760 58.000 0.645 0.000 1.255 323 F CB -0.014 39.341 39.000 0.590 0.000 0.997 323 F HN -0.211 nan 8.300 nan 0.000 0.479 324 R N 0.475 121.166 120.500 0.318 0.000 2.103 324 R HA -0.204 4.136 4.340 -0.000 0.000 0.234 324 R C 2.039 178.367 176.300 0.048 0.000 1.132 324 R CA 2.070 58.248 56.100 0.130 0.000 0.925 324 R CB -0.927 29.463 30.300 0.151 0.000 0.842 324 R HN 0.303 nan 8.270 nan 0.000 0.430 325 D N -0.483 119.972 120.400 0.093 0.000 2.191 325 D HA -0.245 4.395 4.640 -0.000 0.000 0.195 325 D C 1.594 177.936 176.300 0.070 0.000 1.003 325 D CA 1.497 55.543 54.000 0.077 0.000 0.867 325 D CB -0.360 40.469 40.800 0.048 0.000 0.926 325 D HN 0.315 nan 8.370 nan 0.000 0.450 326 Y N 1.817 122.029 120.300 -0.147 0.000 2.113 326 Y HA -0.154 4.396 4.550 -0.000 0.000 0.269 326 Y C 2.462 178.294 175.900 -0.114 0.000 1.098 326 Y CA 1.626 59.606 58.100 -0.200 0.000 1.083 326 Y CB -0.656 37.605 38.460 -0.331 0.000 0.997 326 Y HN -0.274 nan 8.280 nan 0.000 0.476 327 R N 1.034 121.059 120.500 -0.792 0.000 2.211 327 R HA -0.157 4.183 4.340 -0.000 0.000 0.240 327 R C 2.419 178.505 176.300 -0.356 0.000 1.144 327 R CA 1.588 57.210 56.100 -0.796 0.000 0.992 327 R CB -0.477 29.412 30.300 -0.684 0.000 0.869 327 R HN 0.454 nan 8.270 nan 0.000 0.462 328 R N 0.473 120.855 120.500 -0.197 0.000 2.039 328 R HA -0.013 4.327 4.340 -0.000 0.000 0.218 328 R C 1.534 177.801 176.300 -0.055 0.000 1.220 328 R CA 1.661 57.710 56.100 -0.084 0.000 0.993 328 R CB -0.145 30.140 30.300 -0.024 0.000 0.881 328 R HN 0.352 nan 8.270 nan 0.000 0.450 329 K N -1.405 119.004 120.400 0.014 0.000 2.379 329 K HA 0.035 4.355 4.320 -0.000 0.000 0.194 329 K C 1.225 177.788 176.600 -0.063 0.000 1.031 329 K CA 0.779 57.063 56.287 -0.005 0.000 1.037 329 K CB 0.141 32.651 32.500 0.016 0.000 0.824 329 K HN 0.236 nan 8.250 nan 0.000 0.516 330 H N 0.970 119.997 119.070 -0.072 0.000 2.460 330 H HA 0.169 4.725 4.556 -0.000 0.000 0.297 330 H C 1.796 177.081 175.328 -0.072 0.000 1.023 330 H CA 0.899 56.939 56.048 -0.013 0.000 1.321 330 H CB 0.390 30.251 29.762 0.165 0.000 1.455 330 H HN 0.100 nan 8.280 nan 0.000 0.539 331 K N 0.480 120.851 120.400 -0.047 0.000 2.062 331 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 331 K C -0.954 175.622 176.600 -0.039 0.000 1.051 331 K CA 0.831 57.084 56.287 -0.057 0.000 0.941 331 K CB -0.525 31.750 32.500 -0.377 0.000 0.719 331 K HN 0.159 nan 8.250 nan 0.000 0.440 332 P HA -0.158 nan 4.420 nan 0.000 0.213 332 P C -1.686 175.559 177.300 -0.092 0.000 1.170 332 P CA 2.204 65.270 63.100 -0.058 0.000 0.902 332 P CB -0.903 30.755 31.700 -0.069 0.000 0.789 333 P HA -0.203 nan 4.420 nan 0.000 0.218 333 P C 1.217 178.393 177.300 -0.205 0.000 1.146 333 P CA 1.901 64.899 63.100 -0.169 0.000 0.820 333 P CB -0.164 31.418 31.700 -0.197 0.000 0.778 334 K N -0.215 120.038 120.400 -0.246 0.000 2.062 334 K HA -0.022 4.298 4.320 -0.000 0.000 0.205 334 K C 2.131 178.604 176.600 -0.212 0.000 1.051 334 K CA 0.693 56.827 56.287 -0.256 0.000 0.941 334 K CB -1.383 30.892 32.500 -0.375 0.000 0.719 334 K HN -0.041 nan 8.250 nan 0.000 0.440 335 V N 0.730 120.555 119.914 -0.148 0.000 2.392 335 V HA -0.233 3.887 4.120 -0.000 0.000 0.249 335 V C 2.161 178.078 176.094 -0.295 0.000 1.059 335 V CA 1.751 63.850 62.300 -0.335 0.000 1.051 335 V CB -0.458 31.304 31.823 -0.100 0.000 0.658 335 V HN 0.320 nan 8.190 nan 0.000 0.455 336 Q N -0.269 119.417 119.800 -0.191 0.000 2.451 336 Q HA -0.065 4.275 4.340 -0.000 0.000 0.206 336 Q C 1.917 177.824 176.000 -0.155 0.000 0.947 336 Q CA 1.111 56.823 55.803 -0.152 0.000 0.937 336 Q CB -0.041 28.629 28.738 -0.112 0.000 1.025 336 Q HN 0.710 nan 8.270 nan 0.000 0.511 337 E N -0.974 119.113 120.200 -0.189 0.000 2.276 337 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 337 E C 1.350 177.842 176.600 -0.180 0.000 0.983 337 E CA 0.196 56.498 56.400 -0.164 0.000 0.861 337 E CB 0.175 29.775 29.700 -0.168 0.000 0.817 337 E HN 0.192 nan 8.360 nan 0.000 0.485 338 K N 0.616 120.848 120.400 -0.280 0.000 2.155 338 K HA -0.106 4.214 4.320 -0.000 0.000 0.203 338 K C 2.148 178.617 176.600 -0.218 0.000 1.052 338 K CA 1.119 57.220 56.287 -0.310 0.000 0.948 338 K CB -0.073 32.043 32.500 -0.641 0.000 0.728 338 K HN 0.169 nan 8.250 nan 0.000 0.448 339 C N 0.783 119.959 119.300 -0.206 0.000 2.505 339 C HA 0.018 4.478 4.460 -0.000 0.000 0.279 339 C C 2.745 177.696 174.990 -0.064 0.000 1.316 339 C CA 0.895 59.838 59.018 -0.126 0.000 1.720 339 C CB -0.401 27.264 27.740 -0.125 0.000 2.050 339 C HN 0.617 nan 8.230 nan 0.000 0.493 340 Q N 0.772 120.531 119.800 -0.069 0.000 2.112 340 Q HA -0.079 4.261 4.340 -0.000 0.000 0.206 340 Q C 0.812 176.822 176.000 0.016 0.000 0.987 340 Q CA 1.435 57.220 55.803 -0.031 0.000 0.858 340 Q CB -0.593 28.117 28.738 -0.046 0.000 0.905 340 Q HN 0.698 nan 8.270 nan 0.000 0.420 341 L N 0.550 121.777 121.223 0.006 0.000 2.476 341 L HA 0.032 4.372 4.340 -0.000 0.000 0.255 341 L C 1.151 178.101 176.870 0.133 0.000 1.218 341 L CA 1.421 56.312 54.840 0.085 0.000 0.819 341 L CB 0.393 42.451 42.059 -0.002 0.000 1.119 341 L HN 0.699 nan 8.230 nan 0.000 0.485 342 E N -0.279 120.084 120.200 0.271 0.000 4.586 342 E HA -0.348 4.002 4.350 -0.000 0.000 0.271 342 E C 1.037 177.785 176.600 0.246 0.000 0.767 342 E CA 2.055 58.648 56.400 0.323 0.000 1.491 342 E CB -1.515 28.285 29.700 0.166 0.000 1.758 342 E HN 0.597 nan 8.360 nan 0.000 0.398 343 I N 0.543 121.199 120.570 0.143 0.000 2.703 343 I HA -0.006 4.164 4.170 -0.000 0.000 0.259 343 I C 1.803 177.970 176.117 0.084 0.000 1.151 343 I CA 1.041 62.386 61.300 0.076 0.000 1.470 343 I CB -0.181 37.842 38.000 0.039 0.000 1.112 343 I HN 0.147 nan 8.210 nan 0.000 0.437 344 N N 0.601 119.390 118.700 0.149 0.000 2.376 344 N HA -0.128 4.612 4.740 -0.000 0.000 0.177 344 N C 1.234 176.849 175.510 0.176 0.000 1.024 344 N CA 0.573 53.726 53.050 0.172 0.000 0.893 344 N CB -0.104 38.533 38.487 0.250 0.000 0.980 344 N HN 0.217 nan 8.380 nan 0.000 0.439 345 F N 0.075 120.043 119.950 0.030 0.000 2.754 345 F HA 0.252 4.779 4.527 -0.000 0.000 0.303 345 F C 0.587 176.343 175.800 -0.073 0.000 1.196 345 F CA 0.414 58.344 58.000 -0.117 0.000 1.416 345 F CB -0.254 38.668 39.000 -0.129 0.000 1.092 345 F HN -0.069 nan 8.300 nan 0.000 0.541 346 N N -1.938 116.627 118.700 -0.225 0.000 2.354 346 N HA 0.012 4.752 4.740 -0.000 0.000 0.253 346 N C 1.285 176.711 175.510 -0.140 0.000 1.096 346 N CA 0.716 53.596 53.050 -0.283 0.000 0.820 346 N CB 0.293 38.666 38.487 -0.190 0.000 1.610 346 N HN -0.045 nan 8.380 nan 0.000 0.501 347 T N 0.763 115.283 114.554 -0.056 0.000 3.098 347 T HA 0.062 4.412 4.350 -0.000 0.000 0.266 347 T C 0.701 175.395 174.700 -0.010 0.000 1.145 347 T CA 0.746 62.832 62.100 -0.024 0.000 1.092 347 T CB 0.100 68.972 68.868 0.006 0.000 0.908 347 T HN 0.067 nan 8.240 nan 0.000 0.526 348 L N 0.348 121.567 121.223 -0.007 0.000 3.267 348 L HA 0.369 4.709 4.340 -0.000 0.000 0.289 348 L C 0.721 177.601 176.870 0.016 0.000 1.260 348 L CA 0.377 55.246 54.840 0.048 0.000 1.034 348 L CB 0.262 42.427 42.059 0.176 0.000 1.413 348 L HN 0.061 nan 8.230 nan 0.000 0.594 349 Q N -1.313 118.426 119.800 -0.102 0.000 2.546 349 Q HA 0.184 4.524 4.340 -0.000 0.000 0.203 349 Q C 1.658 177.585 176.000 -0.121 0.000 0.740 349 Q CA 1.127 56.832 55.803 -0.163 0.000 0.879 349 Q CB 0.269 28.761 28.738 -0.410 0.000 1.265 349 Q HN 0.161 nan 8.270 nan 0.000 0.585 350 T N 2.354 116.826 114.554 -0.136 0.000 2.881 350 T HA -0.105 4.244 4.350 -0.000 0.000 0.270 350 T C 1.676 176.340 174.700 -0.060 0.000 1.068 350 T CA 1.492 63.536 62.100 -0.093 0.000 1.131 350 T CB 0.075 68.889 68.868 -0.090 0.000 0.871 350 T HN 0.161 nan 8.240 nan 0.000 0.479 351 K N 0.906 121.274 120.400 -0.052 0.000 2.155 351 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 351 K C 1.787 178.373 176.600 -0.024 0.000 1.052 351 K CA 0.780 57.048 56.287 -0.032 0.000 0.948 351 K CB -0.131 32.356 32.500 -0.022 0.000 0.728 351 K HN 0.313 nan 8.250 nan 0.000 0.448 352 L N 0.675 121.886 121.223 -0.020 0.000 2.599 352 L HA 0.049 4.389 4.340 -0.000 0.000 0.230 352 L C 2.354 179.215 176.870 -0.015 0.000 1.141 352 L CA 0.147 54.980 54.840 -0.011 0.000 0.877 352 L CB -0.121 41.943 42.059 0.009 0.000 1.009 352 L HN 0.207 nan 8.230 nan 0.000 0.447 353 R N 0.665 121.151 120.500 -0.024 0.000 2.156 353 R HA 0.100 4.440 4.340 -0.000 0.000 0.207 353 R C 1.193 177.481 176.300 -0.020 0.000 1.040 353 R CA 0.380 56.466 56.100 -0.023 0.000 1.013 353 R CB 0.316 30.597 30.300 -0.032 0.000 0.931 353 R HN 0.245 nan 8.270 nan 0.000 0.465 354 I N 2.076 122.633 120.570 -0.021 0.000 2.664 354 I HA 0.054 4.224 4.170 -0.000 0.000 0.291 354 I C 0.007 176.114 176.117 -0.017 0.000 1.120 354 I CA 0.148 61.436 61.300 -0.019 0.000 1.503 354 I CB 0.475 38.463 38.000 -0.020 0.000 1.506 354 I HN 0.306 nan 8.210 nan 0.000 0.621 355 S N 0.065 115.756 115.700 -0.015 0.000 2.574 355 S HA -0.070 4.400 4.470 -0.000 0.000 0.158 355 S C 0.170 174.763 174.600 -0.012 0.000 0.771 355 S CA -0.591 57.600 58.200 -0.014 0.000 1.715 355 S CB -0.331 62.860 63.200 -0.016 0.000 1.155 355 S HN 0.431 nan 8.310 nan 0.000 0.565 356 N N 2.710 121.403 118.700 -0.011 0.000 2.492 356 N HA -0.175 4.565 4.740 -0.000 0.000 0.297 356 N C -0.476 175.030 175.510 -0.007 0.000 1.456 356 N CA 1.907 54.951 53.050 -0.009 0.000 0.683 356 N CB -0.492 37.990 38.487 -0.008 0.000 1.007 356 N HN 1.045 nan 8.380 nan 0.000 0.478 357 R N 0.277 120.775 120.500 -0.003 0.000 2.660 357 R HA 0.154 4.494 4.340 -0.000 0.000 0.249 357 R C -3.169 173.137 176.300 0.009 0.000 1.018 357 R CA -1.019 55.081 56.100 -0.000 0.000 0.824 357 R CB -0.513 29.783 30.300 -0.007 0.000 1.444 357 R HN 0.084 nan 8.270 nan 0.000 0.327 358 P HA -0.243 nan 4.420 nan 0.000 0.258 358 P C 0.316 177.649 177.300 0.055 0.000 1.102 358 P CA 1.572 64.689 63.100 0.029 0.000 0.757 358 P CB 0.334 32.051 31.700 0.028 0.000 0.681 359 A N 3.830 126.693 122.820 0.071 0.000 2.227 359 A HA 0.483 4.803 4.320 -0.000 0.000 0.279 359 A C 0.160 177.898 177.584 0.257 0.000 1.367 359 A CA 0.442 52.572 52.037 0.155 0.000 0.824 359 A CB -0.146 18.922 19.000 0.113 0.000 1.214 359 A HN 0.559 nan 8.150 nan 0.000 0.514 360 F N -3.238 116.701 119.950 -0.019 0.000 2.569 360 F HA 0.661 5.188 4.527 -0.000 0.000 0.312 360 F C -0.714 175.081 175.800 -0.009 0.000 1.109 360 F CA -1.787 56.207 58.000 -0.011 0.000 0.919 360 F CB 1.742 40.733 39.000 -0.015 0.000 1.211 360 F HN 0.344 nan 8.300 nan 0.000 0.446 361 M N 6.642 126.154 119.600 -0.146 0.000 2.854 361 M HA 0.308 4.788 4.480 -0.000 0.000 0.203 361 M C -2.496 173.718 176.300 -0.143 0.000 1.069 361 M CA -1.727 53.434 55.300 -0.232 0.000 0.803 361 M CB -0.299 32.249 32.600 -0.086 0.000 1.380 361 M HN 0.644 nan 8.290 nan 0.000 0.494 362 P HA -0.066 nan 4.420 nan 0.000 0.275 362 P C -0.357 176.991 177.300 0.079 0.000 1.239 362 P CA 0.342 63.488 63.100 0.077 0.000 0.820 362 P CB 0.066 31.885 31.700 0.199 0.000 0.909 363 S N -0.097 115.672 115.700 0.116 0.000 4.466 363 S HA -0.176 4.294 4.470 -0.000 0.000 0.529 363 S C 1.304 175.936 174.600 0.053 0.000 1.031 363 S CA 0.840 59.090 58.200 0.082 0.000 0.906 363 S CB -0.277 62.976 63.200 0.088 0.000 1.279 363 S HN 0.696 nan 8.310 nan 0.000 0.417 364 E N 2.938 123.161 120.200 0.037 0.000 2.268 364 E HA -0.036 4.313 4.350 -0.000 0.000 0.195 364 E C 1.697 178.310 176.600 0.021 0.000 0.995 364 E CA 1.313 57.726 56.400 0.021 0.000 0.836 364 E CB -0.468 29.243 29.700 0.018 0.000 0.763 364 E HN 0.773 nan 8.360 nan 0.000 0.491 365 G N 0.191 109.008 108.800 0.028 0.000 3.424 365 G HA2 0.074 4.034 3.960 -0.000 0.000 0.263 365 G HA3 0.074 4.034 3.960 -0.000 0.000 0.263 365 G C 0.035 174.952 174.900 0.027 0.000 1.310 365 G CA -0.191 44.924 45.100 0.025 0.000 1.089 365 G HN 0.114 nan 8.290 nan 0.000 0.534 366 K N -0.075 120.342 120.400 0.030 0.000 3.463 366 K HA 0.099 4.419 4.320 -0.000 0.000 0.161 366 K C 0.308 176.929 176.600 0.035 0.000 0.980 366 K CA -0.410 55.895 56.287 0.030 0.000 0.911 366 K CB 0.186 32.711 32.500 0.042 0.000 0.679 366 K HN 0.244 nan 8.250 nan 0.000 0.427 367 M N 0.486 120.092 119.600 0.010 0.000 2.189 367 M HA -0.131 4.349 4.480 -0.000 0.000 0.319 367 M C 1.212 177.484 176.300 -0.048 0.000 0.991 367 M CA 0.575 55.861 55.300 -0.025 0.000 1.000 367 M CB 0.292 32.876 32.600 -0.028 0.000 1.542 367 M HN -0.054 nan 8.290 nan 0.000 0.442 368 V N -0.109 119.713 119.914 -0.153 0.000 3.643 368 V HA 0.013 4.133 4.120 -0.000 0.000 0.280 368 V C 1.344 177.242 176.094 -0.327 0.000 1.351 368 V CA 1.020 63.145 62.300 -0.292 0.000 1.073 368 V CB 0.504 31.895 31.823 -0.721 0.000 0.863 368 V HN 1.020 nan 8.190 nan 0.000 0.436 369 S N -0.554 115.025 115.700 -0.201 0.000 2.578 369 S HA 0.088 4.558 4.470 -0.000 0.000 0.228 369 S C 1.043 175.609 174.600 -0.056 0.000 1.022 369 S CA 0.230 58.352 58.200 -0.130 0.000 0.967 369 S CB 0.218 63.357 63.200 -0.103 0.000 0.914 369 S HN 0.534 nan 8.310 nan 0.000 0.515 370 D N 0.917 121.291 120.400 -0.043 0.000 2.366 370 D HA 0.323 4.963 4.640 -0.000 0.000 0.205 370 D C 1.392 177.708 176.300 0.028 0.000 1.022 370 D CA 0.212 54.210 54.000 -0.003 0.000 0.868 370 D CB 0.160 40.959 40.800 -0.001 0.000 0.953 370 D HN 0.384 nan 8.370 nan 0.000 0.514 371 I N 0.871 121.453 120.570 0.020 0.000 3.010 371 I HA -0.170 4.000 4.170 -0.000 0.000 0.271 371 I C 1.998 178.182 176.117 0.111 0.000 1.293 371 I CA 0.285 61.626 61.300 0.069 0.000 1.452 371 I CB -0.102 37.920 38.000 0.036 0.000 1.082 371 I HN 0.026 nan 8.210 nan 0.000 0.484 372 A N 0.485 123.347 122.820 0.069 0.000 2.119 372 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 372 A C 2.297 179.957 177.584 0.127 0.000 1.152 372 A CA 1.407 53.497 52.037 0.088 0.000 0.708 372 A CB -0.558 18.467 19.000 0.041 0.000 0.805 372 A HN 0.444 nan 8.150 nan 0.000 0.460 373 G N -1.250 107.613 108.800 0.105 0.000 2.651 373 G HA2 0.272 4.232 3.960 -0.000 0.000 0.207 373 G HA3 0.272 4.232 3.960 -0.000 0.000 0.207 373 G C 1.576 176.541 174.900 0.108 0.000 1.131 373 G CA 0.833 45.988 45.100 0.093 0.000 0.816 373 G HN 0.611 nan 8.290 nan 0.000 0.534 374 A N -0.129 122.766 122.820 0.125 0.000 2.019 374 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 374 A C 2.042 179.733 177.584 0.178 0.000 1.164 374 A CA 1.330 53.443 52.037 0.127 0.000 0.644 374 A CB -0.523 18.559 19.000 0.136 0.000 0.805 374 A HN 0.575 nan 8.150 nan 0.000 0.449 375 W N -0.082 121.254 121.300 0.060 0.000 2.588 375 W HA -0.016 4.644 4.660 -0.000 0.000 0.277 375 W C 1.891 178.454 176.519 0.074 0.000 1.221 375 W CA 1.318 58.715 57.345 0.085 0.000 1.355 375 W CB -0.069 29.438 29.460 0.079 0.000 1.083 375 W HN 0.481 nan 8.180 nan 0.000 0.581 376 Q N 1.561 121.499 119.800 0.230 0.000 2.364 376 Q HA -0.173 4.167 4.340 -0.000 0.000 0.209 376 Q C 2.075 178.093 176.000 0.031 0.000 0.977 376 Q CA 1.489 57.371 55.803 0.131 0.000 0.885 376 Q CB -0.552 28.259 28.738 0.123 0.000 0.941 376 Q HN 0.235 nan 8.270 nan 0.000 0.464 377 R N -0.961 119.543 120.500 0.006 0.000 2.052 377 R HA -0.046 4.294 4.340 -0.000 0.000 0.226 377 R C 2.010 178.250 176.300 -0.099 0.000 1.145 377 R CA 1.103 57.183 56.100 -0.034 0.000 0.952 377 R CB -0.441 29.846 30.300 -0.022 0.000 0.847 377 R HN 0.393 nan 8.270 nan 0.000 0.431 378 L N 1.729 122.845 121.223 -0.179 0.000 2.013 378 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 378 L C 1.895 178.631 176.870 -0.222 0.000 1.073 378 L CA 2.025 56.703 54.840 -0.270 0.000 0.753 378 L CB -0.641 41.124 42.059 -0.490 0.000 0.890 378 L HN 0.194 nan 8.230 nan 0.000 0.432 379 E N -1.055 118.999 120.200 -0.243 0.000 2.160 379 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 379 E C 2.178 178.766 176.600 -0.021 0.000 0.991 379 E CA 1.023 57.367 56.400 -0.093 0.000 0.810 379 E CB -0.079 29.618 29.700 -0.005 0.000 0.742 379 E HN 0.491 nan 8.360 nan 0.000 0.466 380 Q N -0.443 119.335 119.800 -0.036 0.000 1.990 380 Q HA -0.021 4.319 4.340 -0.000 0.000 0.200 380 Q C 2.193 178.171 176.000 -0.036 0.000 0.980 380 Q CA 1.587 57.377 55.803 -0.022 0.000 0.832 380 Q CB -0.767 27.956 28.738 -0.026 0.000 0.897 380 Q HN 0.350 nan 8.270 nan 0.000 0.427 381 A N 0.772 123.549 122.820 -0.072 0.000 2.084 381 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 381 A C 1.885 179.415 177.584 -0.090 0.000 1.161 381 A CA 1.724 53.700 52.037 -0.103 0.000 0.653 381 A CB -0.410 18.504 19.000 -0.144 0.000 0.802 381 A HN 0.453 nan 8.150 nan 0.000 0.457 382 E N -0.851 119.337 120.200 -0.019 0.000 2.318 382 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 382 E C 1.535 178.212 176.600 0.128 0.000 0.998 382 E CA 0.428 56.881 56.400 0.089 0.000 0.859 382 E CB 0.019 29.841 29.700 0.202 0.000 0.812 382 E HN 0.396 nan 8.360 nan 0.000 0.492 383 K N 0.214 120.658 120.400 0.074 0.000 2.476 383 K HA -0.251 4.069 4.320 -0.000 0.000 0.202 383 K C 1.162 177.818 176.600 0.094 0.000 0.677 383 K CA 2.351 58.680 56.287 0.071 0.000 0.906 383 K CB -1.086 31.431 32.500 0.029 0.000 0.389 383 K HN 0.225 nan 8.250 nan 0.000 0.993 384 G N -1.723 107.121 108.800 0.073 0.000 3.707 384 G HA2 0.041 4.001 3.960 -0.000 0.000 0.286 384 G HA3 0.041 4.001 3.960 -0.000 0.000 0.286 384 G C 0.659 175.616 174.900 0.096 0.000 1.112 384 G CA 0.182 45.327 45.100 0.075 0.000 0.861 384 G HN 0.451 nan 8.290 nan 0.000 0.534 385 Y N 1.049 121.314 120.300 -0.059 0.000 2.128 385 Y HA -0.212 4.337 4.550 -0.000 0.000 0.284 385 Y C 2.378 178.168 175.900 -0.183 0.000 1.154 385 Y CA 2.373 60.405 58.100 -0.114 0.000 1.149 385 Y CB 0.146 38.482 38.460 -0.207 0.000 0.976 385 Y HN 0.403 nan 8.280 nan 0.000 0.505 386 E N -0.239 119.717 120.200 -0.407 0.000 2.152 386 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 386 E C 2.201 178.656 176.600 -0.242 0.000 0.983 386 E CA 0.992 57.078 56.400 -0.523 0.000 0.818 386 E CB -0.201 29.292 29.700 -0.344 0.000 0.758 386 E HN 0.675 nan 8.360 nan 0.000 0.467 387 E N -0.287 119.855 120.200 -0.097 0.000 2.077 387 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 387 E C 1.599 178.168 176.600 -0.052 0.000 0.989 387 E CA 1.293 57.667 56.400 -0.044 0.000 0.800 387 E CB -0.206 29.502 29.700 0.014 0.000 0.746 387 E HN 0.385 nan 8.360 nan 0.000 0.452 388 W N 1.316 122.487 121.300 -0.214 0.000 2.348 388 W HA -0.196 4.464 4.660 -0.000 0.000 0.324 388 W C 1.911 178.268 176.519 -0.269 0.000 1.209 388 W CA 1.575 58.789 57.345 -0.218 0.000 1.275 388 W CB -0.903 28.420 29.460 -0.230 0.000 1.175 388 W HN 0.040 nan 8.180 nan 0.000 0.461 389 L N 0.334 121.166 121.223 -0.651 0.000 2.054 389 L HA -0.377 3.963 4.340 -0.000 0.000 0.220 389 L C 2.640 179.153 176.870 -0.594 0.000 1.081 389 L CA 2.157 56.474 54.840 -0.870 0.000 0.780 389 L CB -1.139 40.511 42.059 -0.682 0.000 0.893 389 L HN 0.195 nan 8.230 nan 0.000 0.438 390 L N -0.951 120.043 121.223 -0.382 0.000 1.961 390 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 390 L C 2.380 179.094 176.870 -0.260 0.000 1.072 390 L CA 1.447 56.134 54.840 -0.256 0.000 0.749 390 L CB -0.887 41.077 42.059 -0.158 0.000 0.889 390 L HN 0.370 nan 8.230 nan 0.000 0.432 391 N N -0.059 118.500 118.700 -0.235 0.000 2.133 391 N HA -0.226 4.514 4.740 -0.000 0.000 0.193 391 N C 1.715 177.079 175.510 -0.243 0.000 1.012 391 N CA 1.420 54.355 53.050 -0.192 0.000 0.871 391 N CB -0.255 38.152 38.487 -0.133 0.000 1.011 391 N HN 0.371 nan 8.380 nan 0.000 0.435 392 E N 0.732 120.685 120.200 -0.413 0.000 2.072 392 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 392 E C 2.184 178.612 176.600 -0.287 0.000 0.982 392 E CA 0.217 56.374 56.400 -0.404 0.000 0.803 392 E CB -0.187 29.089 29.700 -0.706 0.000 0.755 392 E HN 0.332 nan 8.360 nan 0.000 0.453 393 I N 0.959 121.353 120.570 -0.294 0.000 2.208 393 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 393 I C 2.262 178.293 176.117 -0.142 0.000 1.097 393 I CA 1.238 62.420 61.300 -0.198 0.000 1.363 393 I CB -0.811 37.084 38.000 -0.174 0.000 1.051 393 I HN 0.093 nan 8.210 nan 0.000 0.413 394 R N -0.034 120.381 120.500 -0.142 0.000 2.148 394 R HA -0.099 4.241 4.340 -0.000 0.000 0.223 394 R C 2.377 178.624 176.300 -0.088 0.000 1.088 394 R CA 0.682 56.719 56.100 -0.104 0.000 0.985 394 R CB -0.178 30.065 30.300 -0.095 0.000 0.880 394 R HN 0.344 nan 8.270 nan 0.000 0.451 395 R N 0.967 121.408 120.500 -0.097 0.000 2.057 395 R HA -0.006 4.334 4.340 -0.000 0.000 0.229 395 R C 2.116 178.383 176.300 -0.055 0.000 1.136 395 R CA 0.923 56.983 56.100 -0.067 0.000 0.952 395 R CB -0.180 30.083 30.300 -0.062 0.000 0.848 395 R HN 0.111 nan 8.270 nan 0.000 0.430 396 L N 1.044 122.227 121.223 -0.066 0.000 2.450 396 L HA -0.153 4.187 4.340 -0.000 0.000 0.224 396 L C 2.157 179.002 176.870 -0.041 0.000 1.149 396 L CA 0.824 55.636 54.840 -0.046 0.000 0.816 396 L CB -0.312 41.709 42.059 -0.062 0.000 0.932 396 L HN 0.345 nan 8.230 nan 0.000 0.449 397 E N 0.783 120.952 120.200 -0.052 0.000 2.004 397 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 397 E C 2.192 178.777 176.600 -0.025 0.000 0.985 397 E CA 1.071 57.445 56.400 -0.044 0.000 0.832 397 E CB -0.105 29.558 29.700 -0.062 0.000 0.787 397 E HN 0.045 nan 8.360 nan 0.000 0.466 398 R N -0.050 120.427 120.500 -0.037 0.000 2.112 398 R HA -0.152 4.187 4.340 -0.000 0.000 0.242 398 R C 2.283 178.581 176.300 -0.003 0.000 1.137 398 R CA 1.632 57.720 56.100 -0.019 0.000 0.944 398 R CB -1.190 29.089 30.300 -0.035 0.000 0.857 398 R HN 0.370 nan 8.270 nan 0.000 0.435 399 L N 1.211 122.408 121.223 -0.043 0.000 1.951 399 L HA -0.232 4.108 4.340 -0.000 0.000 0.222 399 L C 2.103 178.893 176.870 -0.134 0.000 1.078 399 L CA 2.293 57.069 54.840 -0.106 0.000 0.778 399 L CB -0.895 41.131 42.059 -0.055 0.000 0.893 399 L HN 0.372 nan 8.230 nan 0.000 0.436 400 E N -1.784 118.379 120.200 -0.061 0.000 2.187 400 E HA -0.315 4.035 4.350 -0.000 0.000 0.199 400 E C 2.086 178.672 176.600 -0.023 0.000 1.004 400 E CA 1.373 57.749 56.400 -0.040 0.000 0.813 400 E CB -0.279 29.420 29.700 -0.001 0.000 0.736 400 E HN 0.615 nan 8.360 nan 0.000 0.468 401 H N 0.755 119.774 119.070 -0.086 0.000 2.317 401 H HA -0.035 4.520 4.556 -0.000 0.000 0.304 401 H C 2.253 177.536 175.328 -0.076 0.000 1.067 401 H CA 1.081 57.089 56.048 -0.066 0.000 1.352 401 H CB -0.059 29.670 29.762 -0.056 0.000 1.398 401 H HN 0.106 nan 8.280 nan 0.000 0.510 402 L N 0.730 121.902 121.223 -0.085 0.000 2.042 402 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 402 L C 3.192 179.950 176.870 -0.187 0.000 1.076 402 L CA 1.158 55.913 54.840 -0.142 0.000 0.749 402 L CB -0.675 41.325 42.059 -0.097 0.000 0.893 402 L HN 0.306 nan 8.230 nan 0.000 0.432 403 A N 0.010 122.657 122.820 -0.288 0.000 1.883 403 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 403 A C 2.234 179.776 177.584 -0.069 0.000 1.186 403 A CA 2.135 53.999 52.037 -0.289 0.000 0.624 403 A CB -0.546 18.198 19.000 -0.428 0.000 0.822 403 A HN 0.399 nan 8.150 nan 0.000 0.444 404 E N 0.017 120.155 120.200 -0.104 0.000 2.106 404 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 404 E C 1.968 178.507 176.600 -0.102 0.000 0.984 404 E CA 1.700 58.054 56.400 -0.076 0.000 0.806 404 E CB -0.246 29.399 29.700 -0.091 0.000 0.750 404 E HN 0.611 nan 8.360 nan 0.000 0.458 405 K N -1.009 119.276 120.400 -0.193 0.000 2.057 405 K HA -0.140 4.179 4.320 -0.000 0.000 0.206 405 K C 2.120 178.675 176.600 -0.075 0.000 1.050 405 K CA 1.275 57.451 56.287 -0.185 0.000 0.935 405 K CB -0.374 31.959 32.500 -0.280 0.000 0.715 405 K HN 0.192 nan 8.250 nan 0.000 0.439 406 F N 1.565 121.423 119.950 -0.154 0.000 2.051 406 F HA -0.225 4.302 4.527 -0.000 0.000 0.296 406 F C 2.265 178.018 175.800 -0.079 0.000 1.122 406 F CA 1.475 59.409 58.000 -0.109 0.000 1.201 406 F CB -0.173 38.769 39.000 -0.097 0.000 0.978 406 F HN -0.075 nan 8.300 nan 0.000 0.472 407 R N 0.737 121.317 120.500 0.133 0.000 2.119 407 R HA -0.219 4.121 4.340 -0.000 0.000 0.246 407 R C 2.294 178.531 176.300 -0.104 0.000 1.146 407 R CA 2.087 58.206 56.100 0.032 0.000 0.962 407 R CB -0.953 29.403 30.300 0.093 0.000 0.863 407 R HN 0.526 nan 8.270 nan 0.000 0.442 408 Q N -0.742 118.998 119.800 -0.100 0.000 2.033 408 Q HA -0.074 4.266 4.340 -0.000 0.000 0.196 408 Q C 2.030 177.942 176.000 -0.148 0.000 0.970 408 Q CA 1.235 56.975 55.803 -0.104 0.000 0.828 408 Q CB -0.113 28.575 28.738 -0.083 0.000 0.895 408 Q HN 0.217 nan 8.270 nan 0.000 0.440 409 K N 0.261 120.548 120.400 -0.188 0.000 2.209 409 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 409 K C 1.831 178.271 176.600 -0.267 0.000 1.048 409 K CA 0.970 57.133 56.287 -0.207 0.000 0.940 409 K CB 0.014 32.393 32.500 -0.202 0.000 0.729 409 K HN 0.161 nan 8.250 nan 0.000 0.451 410 A N 0.118 122.701 122.820 -0.396 0.000 1.855 410 A HA -0.067 4.253 4.320 -0.000 0.000 0.213 410 A C 2.105 179.568 177.584 -0.202 0.000 1.195 410 A CA 1.577 53.365 52.037 -0.414 0.000 0.610 410 A CB -0.591 17.984 19.000 -0.708 0.000 0.837 410 A HN 0.276 nan 8.150 nan 0.000 0.444 411 S N 0.121 115.719 115.700 -0.170 0.000 2.374 411 S HA -0.213 4.257 4.470 -0.000 0.000 0.227 411 S C 2.204 176.760 174.600 -0.074 0.000 1.037 411 S CA 2.173 60.318 58.200 -0.093 0.000 1.024 411 S CB -0.822 62.343 63.200 -0.058 0.000 0.861 411 S HN 0.903 nan 8.310 nan 0.000 0.456 412 T N -0.803 113.704 114.554 -0.079 0.000 2.951 412 T HA -0.104 4.245 4.350 -0.000 0.000 0.268 412 T C 1.597 176.256 174.700 -0.068 0.000 1.073 412 T CA 1.572 63.633 62.100 -0.066 0.000 1.134 412 T CB -0.446 68.375 68.868 -0.078 0.000 0.884 412 T HN 0.610 nan 8.240 nan 0.000 0.479 413 H N 1.169 120.140 119.070 -0.165 0.000 2.343 413 H HA 0.142 4.698 4.556 -0.000 0.000 0.303 413 H C 2.249 177.561 175.328 -0.027 0.000 1.068 413 H CA 1.650 57.616 56.048 -0.136 0.000 1.359 413 H CB -0.078 29.560 29.762 -0.207 0.000 1.402 413 H HN 0.500 nan 8.280 nan 0.000 0.515 414 E N -0.597 119.593 120.200 -0.016 0.000 2.160 414 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 414 E C 1.917 178.188 176.600 -0.549 0.000 0.991 414 E CA 1.541 57.800 56.400 -0.235 0.000 0.810 414 E CB 0.006 29.560 29.700 -0.244 0.000 0.742 414 E HN 0.465 nan 8.360 nan 0.000 0.466 415 T N 0.282 114.659 114.554 -0.294 0.000 2.857 415 T HA -0.151 4.198 4.350 -0.000 0.000 0.266 415 T C 1.193 175.853 174.700 -0.067 0.000 1.048 415 T CA 1.043 63.044 62.100 -0.164 0.000 1.139 415 T CB -0.271 68.605 68.868 0.013 0.000 0.874 415 T HN 0.429 nan 8.240 nan 0.000 0.455 416 W N 2.199 123.332 121.300 -0.279 0.000 2.381 416 W HA 0.036 4.696 4.660 -0.000 0.000 0.301 416 W C 2.405 178.797 176.519 -0.211 0.000 1.205 416 W CA 0.915 58.103 57.345 -0.262 0.000 1.285 416 W CB -0.503 28.687 29.460 -0.450 0.000 1.133 416 W HN 0.192 nan 8.180 nan 0.000 0.521 417 A N -0.236 122.359 122.820 -0.375 0.000 1.930 417 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 417 A C 0.417 177.811 177.584 -0.316 0.000 1.175 417 A CA 0.631 52.345 52.037 -0.539 0.000 0.627 417 A CB -1.580 17.316 19.000 -0.173 0.000 0.815 417 A HN 0.290 nan 8.150 nan 0.000 0.443 418 Y N -0.008 120.192 120.300 -0.167 0.000 3.032 418 Y HA 0.151 4.700 4.550 -0.000 0.000 0.344 418 Y C 1.854 177.669 175.900 -0.141 0.000 1.273 418 Y CA 1.006 59.039 58.100 -0.111 0.000 1.588 418 Y CB -0.593 37.826 38.460 -0.069 0.000 1.209 418 Y HN 0.538 nan 8.280 nan 0.000 0.597 419 G N 2.334 111.189 108.800 0.092 0.000 2.322 419 G HA2 -0.476 3.484 3.960 -0.000 0.000 0.264 419 G HA3 -0.476 3.484 3.960 -0.000 0.000 0.264 419 G C 1.561 176.440 174.900 -0.036 0.000 0.992 419 G CA 1.000 46.106 45.100 0.009 0.000 0.624 419 G HN 0.617 nan 8.290 nan 0.000 0.543 420 K N 0.529 120.866 120.400 -0.106 0.000 2.044 420 K HA -0.058 4.262 4.320 -0.000 0.000 0.210 420 K C 2.395 178.973 176.600 -0.036 0.000 1.049 420 K CA 2.040 58.270 56.287 -0.095 0.000 0.927 420 K CB -0.279 32.045 32.500 -0.294 0.000 0.713 420 K HN 0.671 nan 8.250 nan 0.000 0.443 421 E N -0.109 120.072 120.200 -0.031 0.000 2.058 421 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 421 E C 2.190 178.776 176.600 -0.023 0.000 0.997 421 E CA 1.027 57.418 56.400 -0.015 0.000 0.801 421 E CB -0.014 29.691 29.700 0.008 0.000 0.746 421 E HN 0.280 nan 8.360 nan 0.000 0.450 422 Q N 0.482 120.273 119.800 -0.015 0.000 2.002 422 Q HA -0.195 4.144 4.340 -0.000 0.000 0.204 422 Q C 2.563 178.547 176.000 -0.027 0.000 0.988 422 Q CA 1.387 57.181 55.803 -0.016 0.000 0.843 422 Q CB -0.627 28.105 28.738 -0.010 0.000 0.908 422 Q HN 0.434 nan 8.270 nan 0.000 0.420 423 I N -1.370 119.182 120.570 -0.031 0.000 2.423 423 I HA -0.203 3.967 4.170 -0.000 0.000 0.254 423 I C 1.980 178.053 176.117 -0.073 0.000 1.151 423 I CA 1.350 62.628 61.300 -0.037 0.000 1.421 423 I CB -0.482 37.506 38.000 -0.020 0.000 1.079 423 I HN 0.057 nan 8.210 nan 0.000 0.431 424 L N -0.198 120.960 121.223 -0.108 0.000 2.201 424 L HA -0.076 4.263 4.340 -0.000 0.000 0.212 424 L C 2.319 179.139 176.870 -0.084 0.000 1.105 424 L CA 1.063 55.806 54.840 -0.160 0.000 0.775 424 L CB -0.297 41.654 42.059 -0.179 0.000 0.913 424 L HN 0.363 nan 8.230 nan 0.000 0.440 425 L N -1.190 120.007 121.223 -0.044 0.000 2.492 425 L HA -0.020 4.320 4.340 -0.000 0.000 0.223 425 L C 0.983 177.859 176.870 0.010 0.000 1.132 425 L CA -0.097 54.735 54.840 -0.013 0.000 0.850 425 L CB -0.244 41.809 42.059 -0.010 0.000 0.966 425 L HN 0.257 nan 8.230 nan 0.000 0.454 426 Q N 0.833 120.634 119.800 0.002 0.000 2.369 426 Q HA -0.072 4.268 4.340 -0.000 0.000 0.295 426 Q C 0.372 176.407 176.000 0.057 0.000 1.075 426 Q CA 0.755 56.564 55.803 0.010 0.000 0.941 426 Q CB 0.513 29.253 28.738 0.003 0.000 1.260 426 Q HN 0.173 nan 8.270 nan 0.000 0.417 427 K N 1.534 121.926 120.400 -0.013 0.000 2.455 427 K HA -0.025 4.295 4.320 -0.000 0.000 0.206 427 K C 0.310 176.730 176.600 -0.300 0.000 1.027 427 K CA 0.333 56.531 56.287 -0.147 0.000 1.113 427 K CB 0.423 32.756 32.500 -0.279 0.000 0.850 427 K HN 0.651 nan 8.250 nan 0.000 0.503 428 D N 1.071 121.429 120.400 -0.070 0.000 2.565 428 D HA -0.354 4.286 4.640 -0.000 0.000 0.189 428 D C 1.461 177.715 176.300 -0.076 0.000 1.052 428 D CA 2.104 56.077 54.000 -0.047 0.000 0.889 428 D CB -1.088 39.731 40.800 0.032 0.000 0.911 428 D HN 0.605 nan 8.370 nan 0.000 0.464 429 Y N -0.253 120.017 120.300 -0.050 0.000 2.736 429 Y HA 0.065 4.615 4.550 -0.000 0.000 0.298 429 Y C 1.647 177.518 175.900 -0.048 0.000 1.156 429 Y CA 0.656 58.725 58.100 -0.052 0.000 1.384 429 Y CB -0.693 37.725 38.460 -0.071 0.000 0.976 429 Y HN 0.066 nan 8.280 nan 0.000 0.556 430 E N 0.997 120.915 120.200 -0.470 0.000 2.046 430 E HA -0.109 4.240 4.350 -0.000 0.000 0.190 430 E C 1.712 178.233 176.600 -0.131 0.000 0.982 430 E CA 1.386 57.593 56.400 -0.321 0.000 0.800 430 E CB -0.128 29.363 29.700 -0.349 0.000 0.756 430 E HN 0.607 nan 8.360 nan 0.000 0.449 431 S N 0.408 116.042 115.700 -0.110 0.000 2.679 431 S HA 0.410 4.880 4.470 -0.000 0.000 0.233 431 S C 0.434 175.013 174.600 -0.034 0.000 0.951 431 S CA -0.401 57.762 58.200 -0.061 0.000 0.973 431 S CB 0.330 63.494 63.200 -0.060 0.000 0.778 431 S HN 0.223 nan 8.310 nan 0.000 0.477 432 A N 2.166 124.974 122.820 -0.019 0.000 2.287 432 A HA 0.695 5.015 4.320 -0.000 0.000 0.273 432 A C 0.639 178.226 177.584 0.006 0.000 1.091 432 A CA -0.385 51.655 52.037 0.005 0.000 0.817 432 A CB 0.401 19.424 19.000 0.039 0.000 1.069 432 A HN 0.609 nan 8.150 nan 0.000 0.492 433 S N 0.397 116.102 115.700 0.007 0.000 2.687 433 S HA 0.361 4.831 4.470 -0.000 0.000 0.283 433 S C 0.943 175.551 174.600 0.015 0.000 1.170 433 S CA -0.202 58.002 58.200 0.006 0.000 1.008 433 S CB 0.853 64.052 63.200 -0.000 0.000 1.026 433 S HN 1.255 nan 8.310 nan 0.000 0.541 434 L N 1.938 123.172 121.223 0.018 0.000 2.089 434 L HA -0.085 4.255 4.340 -0.000 0.000 0.213 434 L C 2.264 179.146 176.870 0.021 0.000 1.079 434 L CA 2.382 57.235 54.840 0.021 0.000 0.758 434 L CB -1.518 40.562 42.059 0.035 0.000 0.891 434 L HN 0.956 nan 8.230 nan 0.000 0.433 435 T N -0.887 113.681 114.554 0.023 0.000 2.851 435 T HA -0.088 4.261 4.350 -0.000 0.000 0.262 435 T C 1.640 176.352 174.700 0.020 0.000 1.043 435 T CA 1.300 63.414 62.100 0.023 0.000 1.140 435 T CB -0.102 68.781 68.868 0.025 0.000 0.872 435 T HN 0.471 nan 8.240 nan 0.000 0.446 436 E N 0.636 120.847 120.200 0.019 0.000 2.058 436 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 436 E C 2.306 178.921 176.600 0.025 0.000 0.997 436 E CA 0.957 57.369 56.400 0.021 0.000 0.801 436 E CB -0.256 29.456 29.700 0.019 0.000 0.746 436 E HN 0.198 nan 8.360 nan 0.000 0.450 437 V N 0.920 120.850 119.914 0.026 0.000 2.295 437 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 437 V C 2.355 178.450 176.094 0.003 0.000 1.049 437 V CA 1.868 64.181 62.300 0.022 0.000 1.024 437 V CB -0.381 31.455 31.823 0.022 0.000 0.648 437 V HN 0.112 nan 8.190 nan 0.000 0.447 438 R N 0.030 120.534 120.500 0.006 0.000 2.139 438 R HA -0.159 4.181 4.340 -0.000 0.000 0.243 438 R C 2.136 178.444 176.300 0.013 0.000 1.145 438 R CA 1.653 57.757 56.100 0.006 0.000 0.976 438 R CB -0.572 29.735 30.300 0.012 0.000 0.866 438 R HN 0.566 nan 8.270 nan 0.000 0.449 439 A N 0.112 122.943 122.820 0.018 0.000 1.854 439 A HA -0.060 4.260 4.320 -0.000 0.000 0.214 439 A C 2.053 179.656 177.584 0.031 0.000 1.192 439 A CA 1.142 53.194 52.037 0.025 0.000 0.611 439 A CB -0.566 18.449 19.000 0.026 0.000 0.832 439 A HN 0.282 nan 8.150 nan 0.000 0.442 440 L N -0.797 120.442 121.223 0.026 0.000 2.081 440 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 440 L C 2.496 179.386 176.870 0.034 0.000 1.080 440 L CA 0.987 55.844 54.840 0.028 0.000 0.754 440 L CB -0.791 41.274 42.059 0.010 0.000 0.893 440 L HN 0.352 nan 8.230 nan 0.000 0.433 441 L N 0.198 121.425 121.223 0.007 0.000 2.042 441 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 441 L C 2.779 179.695 176.870 0.076 0.000 1.076 441 L CA 1.752 56.600 54.840 0.013 0.000 0.749 441 L CB -0.666 41.383 42.059 -0.017 0.000 0.893 441 L HN 0.162 nan 8.230 nan 0.000 0.432 442 R N -0.753 119.780 120.500 0.056 0.000 2.115 442 R HA -0.111 4.229 4.340 -0.000 0.000 0.226 442 R C 2.117 178.462 176.300 0.074 0.000 1.100 442 R CA 1.097 57.232 56.100 0.058 0.000 0.980 442 R CB 0.029 30.352 30.300 0.040 0.000 0.875 442 R HN 0.359 nan 8.270 nan 0.000 0.445 443 K N -1.311 119.140 120.400 0.085 0.000 2.217 443 K HA -0.148 4.172 4.320 -0.000 0.000 0.202 443 K C 1.773 178.457 176.600 0.141 0.000 1.051 443 K CA 1.130 57.475 56.287 0.098 0.000 0.952 443 K CB -0.163 32.391 32.500 0.090 0.000 0.736 443 K HN 0.270 nan 8.250 nan 0.000 0.453 444 H N 1.560 120.654 119.070 0.041 0.000 2.457 444 H HA -0.071 4.484 4.556 -0.000 0.000 0.294 444 H C 1.971 177.358 175.328 0.098 0.000 1.064 444 H CA 1.512 57.587 56.048 0.044 0.000 1.330 444 H CB 0.244 29.981 29.762 -0.041 0.000 1.395 444 H HN 0.272 nan 8.280 nan 0.000 0.541 445 E N -0.151 120.093 120.200 0.073 0.000 2.072 445 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 445 E C 2.274 178.879 176.600 0.008 0.000 0.985 445 E CA 1.048 57.460 56.400 0.021 0.000 0.801 445 E CB -0.248 29.477 29.700 0.042 0.000 0.750 445 E HN 0.537 nan 8.360 nan 0.000 0.452 446 A N 0.611 123.457 122.820 0.042 0.000 1.865 446 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 446 A C 2.099 179.708 177.584 0.042 0.000 1.191 446 A CA 1.521 53.582 52.037 0.040 0.000 0.623 446 A CB -1.125 17.914 19.000 0.064 0.000 0.826 446 A HN 0.525 nan 8.150 nan 0.000 0.444 447 F N 0.887 120.791 119.950 -0.077 0.000 2.120 447 F HA -0.209 4.318 4.527 -0.000 0.000 0.300 447 F C 2.224 177.954 175.800 -0.117 0.000 1.095 447 F CA 2.321 60.273 58.000 -0.080 0.000 1.249 447 F CB -0.308 38.616 39.000 -0.127 0.000 0.995 447 F HN 0.397 nan 8.300 nan 0.000 0.480 448 E N -0.870 119.357 120.200 0.044 0.000 2.077 448 E HA -0.219 4.130 4.350 -0.000 0.000 0.193 448 E C 2.418 178.992 176.600 -0.043 0.000 0.989 448 E CA 1.306 57.700 56.400 -0.011 0.000 0.800 448 E CB -0.396 29.257 29.700 -0.077 0.000 0.746 448 E HN 0.348 nan 8.360 nan 0.000 0.452 449 S N 0.815 116.484 115.700 -0.051 0.000 2.351 449 S HA -0.233 4.237 4.470 -0.000 0.000 0.220 449 S C 1.902 176.431 174.600 -0.118 0.000 1.035 449 S CA 1.748 59.910 58.200 -0.065 0.000 1.031 449 S CB -0.408 62.764 63.200 -0.048 0.000 0.928 449 S HN 0.327 nan 8.310 nan 0.000 0.433 450 D N 0.517 120.829 120.400 -0.147 0.000 2.182 450 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 450 D C 2.070 178.206 176.300 -0.273 0.000 0.986 450 D CA 0.786 54.652 54.000 -0.223 0.000 0.847 450 D CB -0.298 40.409 40.800 -0.155 0.000 0.942 450 D HN 0.356 nan 8.370 nan 0.000 0.467 451 L N 1.143 122.255 121.223 -0.186 0.000 1.976 451 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 451 L C 2.525 179.417 176.870 0.038 0.000 1.071 451 L CA 1.965 56.783 54.840 -0.038 0.000 0.746 451 L CB -1.414 40.624 42.059 -0.036 0.000 0.890 451 L HN 0.037 nan 8.230 nan 0.000 0.432 452 A N -0.261 122.556 122.820 -0.005 0.000 2.032 452 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 452 A C 2.450 180.017 177.584 -0.028 0.000 1.165 452 A CA 1.790 53.849 52.037 0.037 0.000 0.645 452 A CB -0.732 18.268 19.000 0.001 0.000 0.807 452 A HN 0.617 nan 8.150 nan 0.000 0.453 453 A N -0.346 122.361 122.820 -0.188 0.000 1.849 453 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 453 A C 1.903 179.302 177.584 -0.308 0.000 1.202 453 A CA 1.641 53.486 52.037 -0.320 0.000 0.629 453 A CB -1.083 17.580 19.000 -0.562 0.000 0.834 453 A HN 0.663 nan 8.150 nan 0.000 0.447 454 H N -0.644 118.320 119.070 -0.177 0.000 2.567 454 H HA -0.074 4.482 4.556 -0.000 0.000 0.276 454 H C 1.972 177.116 175.328 -0.305 0.000 1.016 454 H CA 1.362 57.230 56.048 -0.300 0.000 1.186 454 H CB -0.320 29.087 29.762 -0.591 0.000 1.351 454 H HN 0.679 nan 8.280 nan 0.000 0.605 455 Q N 1.826 121.644 119.800 0.030 0.000 2.118 455 Q HA -0.215 4.125 4.340 -0.000 0.000 0.211 455 Q C 1.792 177.671 176.000 -0.201 0.000 0.998 455 Q CA 2.283 58.104 55.803 0.029 0.000 0.872 455 Q CB -0.401 28.450 28.738 0.188 0.000 0.925 455 Q HN 0.416 nan 8.270 nan 0.000 0.414 456 D N -0.712 119.608 120.400 -0.133 0.000 2.087 456 D HA -0.216 4.424 4.640 -0.000 0.000 0.192 456 D C 1.924 178.101 176.300 -0.206 0.000 0.993 456 D CA 1.835 55.752 54.000 -0.139 0.000 0.828 456 D CB -0.324 40.418 40.800 -0.096 0.000 0.968 456 D HN 0.349 nan 8.370 nan 0.000 0.448 457 R N -0.296 120.073 120.500 -0.218 0.000 2.153 457 R HA -0.183 4.157 4.340 -0.000 0.000 0.252 457 R C 2.109 178.184 176.300 -0.375 0.000 1.158 457 R CA 1.607 57.557 56.100 -0.249 0.000 0.975 457 R CB -0.327 29.845 30.300 -0.214 0.000 0.871 457 R HN 0.179 nan 8.270 nan 0.000 0.450 458 V N 1.291 120.870 119.914 -0.558 0.000 2.307 458 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 458 V C 2.123 177.973 176.094 -0.407 0.000 1.045 458 V CA 2.071 63.957 62.300 -0.689 0.000 1.024 458 V CB -0.478 30.646 31.823 -1.165 0.000 0.651 458 V HN 0.439 nan 8.190 nan 0.000 0.449 459 E N 0.003 120.017 120.200 -0.309 0.000 2.118 459 E HA -0.292 4.058 4.350 -0.000 0.000 0.195 459 E C 2.229 178.748 176.600 -0.135 0.000 0.992 459 E CA 1.404 57.699 56.400 -0.175 0.000 0.804 459 E CB -0.224 29.403 29.700 -0.122 0.000 0.741 459 E HN 0.674 nan 8.360 nan 0.000 0.458 460 Q N 0.619 120.330 119.800 -0.148 0.000 2.020 460 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 460 Q C 2.435 178.383 176.000 -0.087 0.000 0.982 460 Q CA 1.058 56.799 55.803 -0.104 0.000 0.838 460 Q CB -0.134 28.538 28.738 -0.111 0.000 0.899 460 Q HN 0.320 nan 8.270 nan 0.000 0.423 461 I N 0.644 121.123 120.570 -0.152 0.000 2.248 461 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 461 I C 2.348 178.487 176.117 0.037 0.000 1.107 461 I CA 1.036 62.263 61.300 -0.122 0.000 1.373 461 I CB -0.518 37.304 38.000 -0.297 0.000 1.055 461 I HN 0.217 nan 8.210 nan 0.000 0.418 462 A N 0.905 123.705 122.820 -0.034 0.000 1.832 462 A HA -0.142 4.177 4.320 -0.000 0.000 0.214 462 A C 2.627 180.225 177.584 0.022 0.000 1.200 462 A CA 1.838 53.879 52.037 0.005 0.000 0.610 462 A CB -1.032 17.945 19.000 -0.038 0.000 0.842 462 A HN 0.404 nan 8.150 nan 0.000 0.444 463 A N 0.145 122.962 122.820 -0.004 0.000 1.884 463 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 463 A C 2.130 179.723 177.584 0.014 0.000 1.197 463 A CA 1.932 53.967 52.037 -0.002 0.000 0.637 463 A CB -0.878 18.113 19.000 -0.015 0.000 0.827 463 A HN 0.548 nan 8.150 nan 0.000 0.450 464 I N -0.506 120.092 120.570 0.045 0.000 2.264 464 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 464 I C 2.916 179.040 176.117 0.013 0.000 1.111 464 I CA 1.138 62.475 61.300 0.062 0.000 1.382 464 I CB -0.450 37.637 38.000 0.145 0.000 1.060 464 I HN 0.396 nan 8.210 nan 0.000 0.418 465 A N 0.309 123.149 122.820 0.033 0.000 1.930 465 A HA -0.254 4.065 4.320 -0.000 0.000 0.217 465 A C 2.221 179.752 177.584 -0.088 0.000 1.175 465 A CA 1.739 53.684 52.037 -0.153 0.000 0.627 465 A CB -0.530 18.418 19.000 -0.086 0.000 0.815 465 A HN 0.450 nan 8.150 nan 0.000 0.443 466 Q N 0.508 120.288 119.800 -0.032 0.000 1.948 466 Q HA -0.249 4.091 4.340 -0.000 0.000 0.205 466 Q C 1.994 177.978 176.000 -0.027 0.000 0.992 466 Q CA 2.612 58.400 55.803 -0.024 0.000 0.849 466 Q CB -0.545 28.185 28.738 -0.012 0.000 0.918 466 Q HN 0.705 nan 8.270 nan 0.000 0.421 467 E N -0.784 119.402 120.200 -0.025 0.000 2.070 467 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 467 E C 1.885 178.466 176.600 -0.032 0.000 1.004 467 E CA 1.265 57.651 56.400 -0.024 0.000 0.805 467 E CB -0.265 29.423 29.700 -0.020 0.000 0.744 467 E HN 0.391 nan 8.360 nan 0.000 0.451 468 L N 1.685 122.873 121.223 -0.059 0.000 2.197 468 L HA -0.232 4.108 4.340 -0.000 0.000 0.215 468 L C 1.929 178.812 176.870 0.022 0.000 1.095 468 L CA 1.514 56.315 54.840 -0.066 0.000 0.764 468 L CB -0.783 41.187 42.059 -0.148 0.000 0.897 468 L HN 0.237 nan 8.230 nan 0.000 0.436 469 N N -0.426 118.272 118.700 -0.005 0.000 2.182 469 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 469 N C 1.630 177.145 175.510 0.010 0.000 1.036 469 N CA 1.119 54.171 53.050 0.003 0.000 0.850 469 N CB -0.037 38.440 38.487 -0.017 0.000 1.010 469 N HN 0.388 nan 8.380 nan 0.000 0.432 470 E N 0.246 120.446 120.200 -0.000 0.000 2.253 470 E HA -0.187 4.163 4.350 -0.000 0.000 0.202 470 E C 0.513 177.118 176.600 0.008 0.000 1.014 470 E CA 0.854 57.255 56.400 0.001 0.000 0.823 470 E CB -0.020 29.677 29.700 -0.005 0.000 0.736 470 E HN 0.158 nan 8.360 nan 0.000 0.478 471 L N 0.813 122.045 121.223 0.016 0.000 2.728 471 L HA 0.070 4.410 4.340 -0.000 0.000 0.235 471 L C -0.255 176.650 176.870 0.057 0.000 1.197 471 L CA 0.250 55.105 54.840 0.025 0.000 0.992 471 L CB -0.168 41.898 42.059 0.013 0.000 1.263 471 L HN -0.048 nan 8.230 nan 0.000 0.484 472 D N -0.320 120.111 120.400 0.052 0.000 2.702 472 D HA -0.336 4.304 4.640 -0.000 0.000 0.233 472 D C 0.320 176.687 176.300 0.113 0.000 1.164 472 D CA 0.666 54.700 54.000 0.057 0.000 0.638 472 D CB -0.824 40.002 40.800 0.042 0.000 1.041 472 D HN 0.458 nan 8.370 nan 0.000 0.422 473 Y N 1.136 121.421 120.300 -0.026 0.000 2.810 473 Y HA -0.193 4.357 4.550 -0.000 0.000 0.332 473 Y C 2.414 178.304 175.900 -0.017 0.000 1.243 473 Y CA 0.071 58.160 58.100 -0.018 0.000 1.537 473 Y CB 0.622 39.030 38.460 -0.087 0.000 1.265 473 Y HN 0.253 nan 8.280 nan 0.000 0.572 474 H N 2.835 121.750 119.070 -0.258 0.000 2.489 474 H HA -0.145 4.411 4.556 -0.000 0.000 0.293 474 H C 0.498 175.502 175.328 -0.539 0.000 1.066 474 H CA 1.679 57.530 56.048 -0.327 0.000 1.305 474 H CB 0.075 29.726 29.762 -0.184 0.000 1.386 474 H HN 0.706 nan 8.280 nan 0.000 0.551 475 D N 0.175 119.494 120.400 -1.801 0.000 2.424 475 D HA 0.278 4.918 4.640 -0.000 0.000 0.220 475 D C 1.917 177.758 176.300 -0.765 0.000 1.150 475 D CA 0.568 53.784 54.000 -1.306 0.000 0.831 475 D CB 0.071 40.039 40.800 -1.386 0.000 0.981 475 D HN 0.405 nan 8.370 nan 0.000 0.500 476 A N -0.200 122.277 122.820 -0.571 0.000 2.009 476 A HA -0.232 4.087 4.320 -0.000 0.000 0.222 476 A C 2.232 179.701 177.584 -0.190 0.000 1.175 476 A CA 1.911 53.813 52.037 -0.225 0.000 0.651 476 A CB -0.653 18.277 19.000 -0.117 0.000 0.815 476 A HN 0.223 nan 8.150 nan 0.000 0.459 477 V N 0.541 120.333 119.914 -0.203 0.000 2.219 477 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 477 V C 2.144 178.169 176.094 -0.115 0.000 1.053 477 V CA 2.478 64.698 62.300 -0.134 0.000 1.009 477 V CB -1.388 30.360 31.823 -0.126 0.000 0.636 477 V HN 0.620 nan 8.190 nan 0.000 0.445 478 N N 0.868 119.485 118.700 -0.139 0.000 2.223 478 N HA -0.129 4.611 4.740 -0.000 0.000 0.185 478 N C 1.736 177.215 175.510 -0.052 0.000 1.016 478 N CA 1.469 54.471 53.050 -0.080 0.000 0.863 478 N CB -0.560 37.880 38.487 -0.078 0.000 0.983 478 N HN 0.596 nan 8.380 nan 0.000 0.429 479 V N -0.829 119.001 119.914 -0.140 0.000 2.453 479 V HA -0.056 4.064 4.120 -0.000 0.000 0.247 479 V C 1.695 177.712 176.094 -0.128 0.000 1.048 479 V CA 1.480 63.631 62.300 -0.249 0.000 1.049 479 V CB -0.439 30.966 31.823 -0.698 0.000 0.672 479 V HN 0.179 nan 8.190 nan 0.000 0.457 480 N N 0.863 119.498 118.700 -0.108 0.000 2.223 480 N HA -0.174 4.566 4.740 -0.000 0.000 0.185 480 N C 1.587 177.104 175.510 0.012 0.000 1.016 480 N CA 2.060 55.084 53.050 -0.043 0.000 0.863 480 N CB -0.325 38.132 38.487 -0.049 0.000 0.983 480 N HN 0.792 nan 8.380 nan 0.000 0.429 481 D N 0.620 121.028 120.400 0.014 0.000 2.085 481 D HA -0.058 4.581 4.640 -0.000 0.000 0.199 481 D C 2.060 178.405 176.300 0.075 0.000 0.981 481 D CA 0.746 54.768 54.000 0.036 0.000 0.834 481 D CB 0.083 40.897 40.800 0.023 0.000 0.992 481 D HN 0.054 nan 8.370 nan 0.000 0.457 482 R N -0.297 120.271 120.500 0.113 0.000 2.117 482 R HA -0.184 4.156 4.340 -0.000 0.000 0.243 482 R C 2.369 178.768 176.300 0.165 0.000 1.143 482 R CA 1.669 57.862 56.100 0.156 0.000 0.968 482 R CB -0.813 29.636 30.300 0.247 0.000 0.863 482 R HN 0.407 nan 8.270 nan 0.000 0.444 483 C N 0.276 119.714 119.300 0.230 0.000 2.446 483 C HA -0.046 4.413 4.460 -0.000 0.000 0.277 483 C C 2.699 177.738 174.990 0.082 0.000 1.275 483 C CA 1.064 60.189 59.018 0.179 0.000 1.727 483 C CB -0.540 27.332 27.740 0.221 0.000 2.010 483 C HN 0.594 nan 8.230 nan 0.000 0.486 484 Q N 1.324 121.169 119.800 0.074 0.000 2.061 484 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 484 Q C 2.216 178.256 176.000 0.067 0.000 0.984 484 Q CA 2.116 57.954 55.803 0.058 0.000 0.846 484 Q CB -0.310 28.456 28.738 0.047 0.000 0.902 484 Q HN 0.694 nan 8.270 nan 0.000 0.421 485 K N -0.118 120.325 120.400 0.071 0.000 2.020 485 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 485 K C 2.200 178.857 176.600 0.094 0.000 1.050 485 K CA 1.784 58.118 56.287 0.079 0.000 0.929 485 K CB -0.484 32.062 32.500 0.076 0.000 0.714 485 K HN 0.275 nan 8.250 nan 0.000 0.443 486 I N 1.116 121.729 120.570 0.072 0.000 2.151 486 I HA -0.399 3.771 4.170 -0.000 0.000 0.243 486 I C 2.557 178.736 176.117 0.103 0.000 1.080 486 I CA 1.212 62.548 61.300 0.061 0.000 1.339 486 I CB -0.482 37.464 38.000 -0.090 0.000 1.039 486 I HN 0.308 nan 8.210 nan 0.000 0.409 487 C N 0.349 119.691 119.300 0.071 0.000 2.435 487 C HA -0.134 4.326 4.460 -0.000 0.000 0.279 487 C C 2.406 177.510 174.990 0.190 0.000 1.321 487 C CA 0.532 59.623 59.018 0.122 0.000 1.752 487 C CB -1.055 26.726 27.740 0.069 0.000 1.959 487 C HN 0.522 nan 8.230 nan 0.000 0.500 488 D N 0.170 120.656 120.400 0.143 0.000 2.097 488 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 488 D C 2.180 178.576 176.300 0.160 0.000 0.984 488 D CA 1.102 55.180 54.000 0.130 0.000 0.826 488 D CB -0.636 40.221 40.800 0.095 0.000 0.973 488 D HN 0.588 nan 8.370 nan 0.000 0.460 489 Q N -0.315 119.596 119.800 0.186 0.000 2.061 489 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 489 Q C 2.192 178.362 176.000 0.282 0.000 0.984 489 Q CA 1.325 57.254 55.803 0.210 0.000 0.846 489 Q CB -0.342 28.538 28.738 0.236 0.000 0.902 489 Q HN 0.471 nan 8.270 nan 0.000 0.421 490 W N 1.387 122.777 121.300 0.150 0.000 2.305 490 W HA -0.268 4.392 4.660 -0.000 0.000 0.308 490 W C 1.086 177.686 176.519 0.134 0.000 1.226 490 W CA 1.821 59.270 57.345 0.174 0.000 1.253 490 W CB -0.038 29.497 29.460 0.125 0.000 1.146 490 W HN 0.345 nan 8.180 nan 0.000 0.507 491 D N -0.520 119.980 120.400 0.166 0.000 2.103 491 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 491 D C 2.090 178.389 176.300 -0.001 0.000 0.978 491 D CA 1.562 55.589 54.000 0.044 0.000 0.829 491 D CB -0.660 40.197 40.800 0.096 0.000 0.981 491 D HN 0.178 nan 8.370 nan 0.000 0.464 492 R N 0.298 120.823 120.500 0.042 0.000 2.096 492 R HA -0.161 4.179 4.340 -0.000 0.000 0.240 492 R C 2.145 178.443 176.300 -0.003 0.000 1.139 492 R CA 0.996 57.112 56.100 0.027 0.000 0.952 492 R CB -0.418 29.912 30.300 0.051 0.000 0.854 492 R HN 0.045 nan 8.270 nan 0.000 0.436 493 L N 0.462 121.681 121.223 -0.006 0.000 2.042 493 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 493 L C 2.309 179.118 176.870 -0.101 0.000 1.076 493 L CA 2.293 57.114 54.840 -0.033 0.000 0.749 493 L CB -1.344 40.705 42.059 -0.017 0.000 0.893 493 L HN 0.456 nan 8.230 nan 0.000 0.432 494 G N -1.638 107.036 108.800 -0.209 0.000 2.480 494 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 494 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 494 G C 1.517 176.368 174.900 -0.081 0.000 1.200 494 G CA 1.577 46.557 45.100 -0.201 0.000 0.782 494 G HN 0.474 nan 8.290 nan 0.000 0.554 495 T N -0.363 114.158 114.554 -0.055 0.000 2.821 495 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 495 T C 2.288 176.974 174.700 -0.024 0.000 1.046 495 T CA 1.065 63.148 62.100 -0.028 0.000 1.139 495 T CB -0.272 68.586 68.868 -0.016 0.000 0.871 495 T HN 0.000 nan 8.240 nan 0.000 0.454 496 L N 1.771 122.979 121.223 -0.026 0.000 2.079 496 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 496 L C 2.717 179.565 176.870 -0.037 0.000 1.081 496 L CA 1.674 56.496 54.840 -0.029 0.000 0.752 496 L CB -1.490 40.555 42.059 -0.024 0.000 0.896 496 L HN 0.308 nan 8.230 nan 0.000 0.433 497 T N -1.628 112.918 114.554 -0.015 0.000 2.904 497 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 497 T C 1.804 176.551 174.700 0.077 0.000 1.059 497 T CA 0.792 62.914 62.100 0.036 0.000 1.137 497 T CB 0.043 68.961 68.868 0.083 0.000 0.879 497 T HN 0.264 nan 8.240 nan 0.000 0.467 498 Q N 0.589 120.403 119.800 0.023 0.000 2.245 498 Q HA 0.061 4.401 4.340 -0.000 0.000 0.201 498 Q C 2.322 178.300 176.000 -0.037 0.000 0.955 498 Q CA 0.797 56.608 55.803 0.013 0.000 0.870 498 Q CB -0.017 28.721 28.738 0.000 0.000 0.945 498 Q HN 0.330 nan 8.270 nan 0.000 0.461 499 K N 0.526 120.894 120.400 -0.053 0.000 1.991 499 K HA -0.111 4.209 4.320 -0.000 0.000 0.212 499 K C 1.951 178.456 176.600 -0.158 0.000 1.049 499 K CA 0.826 57.066 56.287 -0.078 0.000 0.932 499 K CB -0.344 32.121 32.500 -0.058 0.000 0.717 499 K HN 0.103 nan 8.250 nan 0.000 0.441 500 R N 0.778 121.149 120.500 -0.214 0.000 2.136 500 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 500 R C 2.418 178.391 176.300 -0.544 0.000 1.131 500 R CA 1.893 57.735 56.100 -0.430 0.000 0.937 500 R CB -0.691 29.293 30.300 -0.526 0.000 0.863 500 R HN 0.308 nan 8.270 nan 0.000 0.435 501 R N 1.040 121.269 120.500 -0.452 0.000 2.113 501 R HA -0.195 4.145 4.340 -0.000 0.000 0.244 501 R C 2.065 178.229 176.300 -0.227 0.000 1.142 501 R CA 2.217 58.134 56.100 -0.304 0.000 0.953 501 R CB -0.172 30.117 30.300 -0.019 0.000 0.860 501 R HN 0.358 nan 8.270 nan 0.000 0.438 502 E N -0.303 119.791 120.200 -0.176 0.000 2.031 502 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 502 E C 2.032 178.524 176.600 -0.182 0.000 0.994 502 E CA 1.370 57.688 56.400 -0.137 0.000 0.800 502 E CB -0.193 29.453 29.700 -0.090 0.000 0.752 502 E HN 0.527 nan 8.360 nan 0.000 0.447 503 A N 1.082 123.749 122.820 -0.255 0.000 1.883 503 A HA -0.204 4.115 4.320 -0.000 0.000 0.217 503 A C 2.208 179.541 177.584 -0.418 0.000 1.186 503 A CA 1.292 53.139 52.037 -0.316 0.000 0.624 503 A CB -0.796 17.917 19.000 -0.479 0.000 0.822 503 A HN 0.161 nan 8.150 nan 0.000 0.444 504 L N -0.979 119.916 121.223 -0.546 0.000 2.046 504 L HA -0.208 4.131 4.340 -0.000 0.000 0.208 504 L C 2.616 179.356 176.870 -0.217 0.000 1.077 504 L CA 1.744 56.336 54.840 -0.415 0.000 0.747 504 L CB -0.677 41.137 42.059 -0.409 0.000 0.896 504 L HN 0.491 nan 8.230 nan 0.000 0.432 505 E N -0.387 119.701 120.200 -0.186 0.000 2.150 505 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 505 E C 2.299 178.840 176.600 -0.098 0.000 0.985 505 E CA 0.653 56.985 56.400 -0.113 0.000 0.814 505 E CB 0.007 29.653 29.700 -0.090 0.000 0.752 505 E HN 0.317 nan 8.360 nan 0.000 0.466 506 R N 0.594 121.027 120.500 -0.111 0.000 2.062 506 R HA -0.118 4.222 4.340 -0.000 0.000 0.229 506 R C 2.247 178.485 176.300 -0.104 0.000 1.128 506 R CA 1.198 57.239 56.100 -0.097 0.000 0.960 506 R CB -0.196 30.054 30.300 -0.083 0.000 0.855 506 R HN 0.108 nan 8.270 nan 0.000 0.432 507 M N 1.899 121.452 119.600 -0.078 0.000 2.108 507 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 507 M C 2.010 178.277 176.300 -0.054 0.000 1.066 507 M CA 1.948 57.225 55.300 -0.038 0.000 1.107 507 M CB -0.402 32.243 32.600 0.075 0.000 1.356 507 M HN 0.290 nan 8.290 nan 0.000 0.406 508 E N -0.206 119.960 120.200 -0.056 0.000 2.058 508 E HA -0.303 4.046 4.350 -0.000 0.000 0.194 508 E C 2.060 178.631 176.600 -0.050 0.000 0.997 508 E CA 1.776 58.150 56.400 -0.042 0.000 0.801 508 E CB -0.311 29.364 29.700 -0.042 0.000 0.746 508 E HN 0.630 nan 8.360 nan 0.000 0.450 509 K N 0.651 121.012 120.400 -0.067 0.000 2.020 509 K HA -0.208 4.112 4.320 -0.000 0.000 0.212 509 K C 2.297 178.844 176.600 -0.089 0.000 1.050 509 K CA 1.776 58.021 56.287 -0.070 0.000 0.929 509 K CB -0.289 32.164 32.500 -0.078 0.000 0.714 509 K HN 0.196 nan 8.250 nan 0.000 0.443 510 L N 1.034 122.171 121.223 -0.145 0.000 1.955 510 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 510 L C 2.699 179.513 176.870 -0.095 0.000 1.072 510 L CA 1.527 56.258 54.840 -0.181 0.000 0.755 510 L CB -0.843 41.029 42.059 -0.311 0.000 0.888 510 L HN 0.299 nan 8.230 nan 0.000 0.432 511 L N -0.290 120.893 121.223 -0.067 0.000 2.089 511 L HA -0.283 4.057 4.340 -0.000 0.000 0.213 511 L C 2.574 179.444 176.870 -0.001 0.000 1.079 511 L CA 1.445 56.271 54.840 -0.022 0.000 0.758 511 L CB -0.590 41.466 42.059 -0.006 0.000 0.891 511 L HN 0.403 nan 8.230 nan 0.000 0.433 512 E N -0.465 119.730 120.200 -0.009 0.000 2.077 512 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 512 E C 2.074 178.678 176.600 0.006 0.000 0.989 512 E CA 1.807 58.212 56.400 0.007 0.000 0.800 512 E CB 0.107 29.804 29.700 -0.004 0.000 0.746 512 E HN 0.415 nan 8.360 nan 0.000 0.452 513 T N 0.908 115.452 114.554 -0.018 0.000 2.701 513 T HA -0.100 4.250 4.350 -0.000 0.000 0.263 513 T C 1.873 176.551 174.700 -0.038 0.000 1.040 513 T CA 1.116 63.203 62.100 -0.022 0.000 1.147 513 T CB -0.159 68.692 68.868 -0.027 0.000 0.865 513 T HN 0.161 nan 8.240 nan 0.000 0.426 514 I N 1.208 121.741 120.570 -0.061 0.000 2.264 514 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 514 I C 2.399 178.433 176.117 -0.137 0.000 1.111 514 I CA 1.436 62.646 61.300 -0.150 0.000 1.382 514 I CB -0.429 37.500 38.000 -0.120 0.000 1.060 514 I HN 0.258 nan 8.210 nan 0.000 0.418 515 D N 0.445 120.870 120.400 0.041 0.000 2.097 515 D HA -0.236 4.404 4.640 -0.000 0.000 0.197 515 D C 2.162 178.582 176.300 0.201 0.000 0.984 515 D CA 1.180 55.300 54.000 0.199 0.000 0.826 515 D CB 0.102 41.017 40.800 0.191 0.000 0.973 515 D HN 0.082 nan 8.370 nan 0.000 0.460 516 Q N -0.374 119.483 119.800 0.094 0.000 2.045 516 Q HA -0.132 4.208 4.340 -0.000 0.000 0.206 516 Q C 2.014 178.059 176.000 0.076 0.000 0.991 516 Q CA 1.236 57.080 55.803 0.069 0.000 0.851 516 Q CB -0.514 28.241 28.738 0.028 0.000 0.911 516 Q HN 0.285 nan 8.270 nan 0.000 0.418 517 L N -0.467 120.770 121.223 0.023 0.000 1.971 517 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 517 L C 2.194 179.137 176.870 0.122 0.000 1.072 517 L CA 2.258 57.106 54.840 0.014 0.000 0.758 517 L CB -1.200 40.801 42.059 -0.097 0.000 0.889 517 L HN 0.450 nan 8.230 nan 0.000 0.433 518 H N -1.932 117.219 119.070 0.134 0.000 2.321 518 H HA -0.252 4.304 4.556 -0.000 0.000 0.295 518 H C 2.112 177.641 175.328 0.335 0.000 1.102 518 H CA 1.375 57.530 56.048 0.178 0.000 1.266 518 H CB -0.074 29.766 29.762 0.130 0.000 1.363 518 H HN 0.141 nan 8.280 nan 0.000 0.492 519 L N 0.988 122.484 121.223 0.456 0.000 1.989 519 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 519 L C 2.343 179.307 176.870 0.157 0.000 1.071 519 L CA 1.817 56.787 54.840 0.216 0.000 0.749 519 L CB -0.557 41.491 42.059 -0.018 0.000 0.890 519 L HN 0.279 nan 8.230 nan 0.000 0.431 520 E N -1.299 118.985 120.200 0.140 0.000 2.049 520 E HA -0.321 4.029 4.350 -0.000 0.000 0.198 520 E C 2.226 178.907 176.600 0.135 0.000 1.007 520 E CA 1.766 58.224 56.400 0.095 0.000 0.809 520 E CB -0.392 29.351 29.700 0.072 0.000 0.749 520 E HN 0.457 nan 8.360 nan 0.000 0.450 521 F N 1.165 121.152 119.950 0.061 0.000 2.065 521 F HA -0.284 4.243 4.527 -0.000 0.000 0.298 521 F C 2.068 177.914 175.800 0.077 0.000 1.112 521 F CA 1.989 60.026 58.000 0.061 0.000 1.212 521 F CB -0.687 38.370 39.000 0.095 0.000 0.975 521 F HN 0.090 nan 8.300 nan 0.000 0.476 522 A N 0.539 123.613 122.820 0.423 0.000 1.883 522 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 522 A C 2.342 179.973 177.584 0.079 0.000 1.186 522 A CA 1.913 54.117 52.037 0.279 0.000 0.624 522 A CB -0.978 18.218 19.000 0.327 0.000 0.822 522 A HN 0.429 nan 8.150 nan 0.000 0.444 523 K N -0.178 120.253 120.400 0.052 0.000 2.360 523 K HA -0.115 4.205 4.320 -0.000 0.000 0.201 523 K C 1.760 178.345 176.600 -0.025 0.000 1.046 523 K CA 1.381 57.672 56.287 0.007 0.000 0.945 523 K CB -0.117 32.380 32.500 -0.005 0.000 0.750 523 K HN 0.559 nan 8.250 nan 0.000 0.464 524 R N -1.354 119.096 120.500 -0.083 0.000 2.287 524 R HA 0.190 4.530 4.340 -0.000 0.000 0.197 524 R C 2.144 178.357 176.300 -0.146 0.000 0.900 524 R CA 0.550 56.578 56.100 -0.120 0.000 1.052 524 R CB 0.151 30.350 30.300 -0.167 0.000 1.117 524 R HN 0.072 nan 8.270 nan 0.000 0.568 525 A N 1.439 124.089 122.820 -0.283 0.000 1.968 525 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 525 A C 2.213 179.814 177.584 0.028 0.000 1.169 525 A CA 1.416 53.317 52.037 -0.227 0.000 0.638 525 A CB -0.348 18.341 19.000 -0.518 0.000 0.812 525 A HN 0.323 nan 8.150 nan 0.000 0.446 526 A N 0.800 123.635 122.820 0.026 0.000 1.829 526 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 526 A C 0.268 177.909 177.584 0.095 0.000 1.207 526 A CA 1.829 53.909 52.037 0.071 0.000 0.622 526 A CB -1.814 17.222 19.000 0.061 0.000 0.846 526 A HN 0.406 nan 8.150 nan 0.000 0.447 527 P HA -0.191 nan 4.420 nan 0.000 0.216 527 P C 1.443 178.850 177.300 0.178 0.000 1.154 527 P CA 1.376 64.546 63.100 0.115 0.000 0.865 527 P CB -0.168 31.586 31.700 0.090 0.000 0.789 528 F N 0.337 120.307 119.950 0.033 0.000 2.269 528 F HA -0.140 4.386 4.527 -0.000 0.000 0.301 528 F C 1.852 177.762 175.800 0.182 0.000 1.082 528 F CA 1.370 59.410 58.000 0.067 0.000 1.360 528 F CB -0.721 38.248 39.000 -0.052 0.000 1.041 528 F HN -0.156 nan 8.300 nan 0.000 0.512 529 N N 0.091 118.872 118.700 0.135 0.000 2.354 529 N HA -0.133 4.607 4.740 -0.000 0.000 0.179 529 N C 1.390 176.925 175.510 0.042 0.000 1.021 529 N CA 1.474 54.567 53.050 0.071 0.000 0.887 529 N CB -0.388 38.169 38.487 0.116 0.000 0.974 529 N HN 0.403 nan 8.380 nan 0.000 0.437 530 N N -1.189 117.555 118.700 0.073 0.000 2.142 530 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 530 N C 1.196 176.742 175.510 0.059 0.000 1.023 530 N CA 0.882 53.968 53.050 0.060 0.000 0.852 530 N CB -0.167 38.365 38.487 0.075 0.000 0.998 530 N HN 0.356 nan 8.380 nan 0.000 0.424 531 W N 1.935 123.172 121.300 -0.105 0.000 2.355 531 W HA -0.097 4.563 4.660 -0.000 0.000 0.309 531 W C 2.062 178.498 176.519 -0.138 0.000 1.206 531 W CA 1.301 58.583 57.345 -0.105 0.000 1.284 531 W CB -0.094 29.295 29.460 -0.118 0.000 1.145 531 W HN -0.042 nan 8.180 nan 0.000 0.502 532 M N 0.240 119.887 119.600 0.078 0.000 2.117 532 M HA -0.217 4.263 4.480 -0.000 0.000 0.262 532 M C 2.021 178.208 176.300 -0.187 0.000 1.065 532 M CA 1.641 56.900 55.300 -0.068 0.000 1.114 532 M CB -0.856 31.761 32.600 0.028 0.000 1.361 532 M HN -0.005 nan 8.290 nan 0.000 0.408 533 E N 0.319 120.452 120.200 -0.112 0.000 2.051 533 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 533 E C 2.151 178.647 176.600 -0.172 0.000 0.991 533 E CA 1.587 57.924 56.400 -0.106 0.000 0.799 533 E CB -0.561 29.108 29.700 -0.051 0.000 0.748 533 E HN 0.597 nan 8.360 nan 0.000 0.449 534 G N 1.377 110.054 108.800 -0.207 0.000 2.446 534 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 534 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 534 G C 1.760 176.437 174.900 -0.373 0.000 1.168 534 G CA 1.601 46.552 45.100 -0.249 0.000 0.771 534 G HN 0.394 nan 8.290 nan 0.000 0.551 535 A N 0.887 123.364 122.820 -0.573 0.000 1.865 535 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 535 A C 2.485 179.785 177.584 -0.473 0.000 1.191 535 A CA 2.052 53.669 52.037 -0.700 0.000 0.623 535 A CB -0.488 17.962 19.000 -0.916 0.000 0.826 535 A HN 0.374 nan 8.150 nan 0.000 0.444 536 M N -0.780 118.618 119.600 -0.336 0.000 2.143 536 M HA -0.239 4.241 4.480 -0.000 0.000 0.258 536 M C 2.073 178.255 176.300 -0.196 0.000 1.071 536 M CA 1.830 56.997 55.300 -0.221 0.000 1.088 536 M CB -0.566 31.946 32.600 -0.148 0.000 1.360 536 M HN 0.512 nan 8.290 nan 0.000 0.404 537 E N 0.501 120.580 120.200 -0.201 0.000 2.008 537 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 537 E C 1.641 178.135 176.600 -0.176 0.000 0.986 537 E CA 1.349 57.654 56.400 -0.158 0.000 0.807 537 E CB -0.144 29.476 29.700 -0.134 0.000 0.766 537 E HN 0.446 nan 8.360 nan 0.000 0.450 538 D N 0.954 121.212 120.400 -0.236 0.000 2.154 538 D HA -0.203 4.437 4.640 -0.000 0.000 0.190 538 D C 1.735 177.909 176.300 -0.209 0.000 1.003 538 D CA 1.050 54.905 54.000 -0.241 0.000 0.849 538 D CB -0.395 40.185 40.800 -0.367 0.000 0.942 538 D HN 0.057 nan 8.370 nan 0.000 0.446 539 L N -0.016 121.045 121.223 -0.270 0.000 2.651 539 L HA -0.090 4.250 4.340 -0.000 0.000 0.236 539 L C 1.602 178.419 176.870 -0.088 0.000 1.173 539 L CA 1.341 56.083 54.840 -0.163 0.000 0.843 539 L CB -0.495 41.459 42.059 -0.175 0.000 0.964 539 L HN 0.104 nan 8.230 nan 0.000 0.454 540 Q N -2.229 117.516 119.800 -0.093 0.000 2.113 540 Q HA 0.087 4.427 4.340 -0.000 0.000 0.225 540 Q C -0.050 175.912 176.000 -0.064 0.000 0.786 540 Q CA -0.291 55.469 55.803 -0.072 0.000 0.989 540 Q CB 0.959 29.648 28.738 -0.081 0.000 1.174 540 Q HN 0.222 nan 8.270 nan 0.000 0.470 541 D N 1.315 121.686 120.400 -0.048 0.000 2.487 541 D HA -0.014 4.626 4.640 -0.000 0.000 0.243 541 D C -0.219 176.073 176.300 -0.014 0.000 1.154 541 D CA 0.663 54.645 54.000 -0.030 0.000 0.876 541 D CB 0.600 41.390 40.800 -0.016 0.000 1.161 541 D HN 0.030 nan 8.370 nan 0.000 0.478 542 M N 3.477 123.033 119.600 -0.073 0.000 2.238 542 M HA 0.221 4.701 4.480 -0.000 0.000 0.347 542 M C -0.409 175.844 176.300 -0.078 0.000 1.173 542 M CA -0.071 55.125 55.300 -0.173 0.000 1.147 542 M CB 0.446 32.951 32.600 -0.159 0.000 1.547 542 M HN 0.365 nan 8.290 nan 0.000 0.455 543 F N 2.166 122.078 119.950 -0.064 0.000 2.613 543 F HA 0.867 5.394 4.527 -0.000 0.000 0.314 543 F C -1.509 174.245 175.800 -0.076 0.000 1.075 543 F CA -1.572 56.390 58.000 -0.064 0.000 0.945 543 F CB 1.107 40.065 39.000 -0.070 0.000 1.310 543 F HN 0.506 nan 8.300 nan 0.000 0.467 544 I N 3.556 124.272 120.570 0.244 0.000 2.571 544 I HA 0.681 4.851 4.170 -0.000 0.000 0.289 544 I C -1.567 174.568 176.117 0.029 0.000 1.115 544 I CA -0.875 60.478 61.300 0.089 0.000 1.045 544 I CB 1.815 39.818 38.000 0.005 0.000 1.238 544 I HN 0.855 nan 8.210 nan 0.000 0.424 545 V N 3.012 122.857 119.914 -0.115 0.000 3.158 545 V HA 0.637 4.757 4.120 -0.000 0.000 0.311 545 V C -0.798 175.002 176.094 -0.491 0.000 1.181 545 V CA -0.290 61.907 62.300 -0.171 0.000 1.054 545 V CB 2.028 33.797 31.823 -0.090 0.000 1.085 545 V HN 0.885 nan 8.190 nan 0.000 0.446 546 H N -0.138 118.930 119.070 -0.004 0.000 3.650 546 H HA 0.538 5.093 4.556 -0.000 0.000 0.260 546 H C 0.316 175.625 175.328 -0.031 0.000 1.194 546 H CA 0.645 56.683 56.048 -0.017 0.000 1.135 546 H CB 0.783 30.543 29.762 -0.004 0.000 1.612 546 H HN 0.990 nan 8.280 nan 0.000 0.703 547 S N -0.728 114.990 115.700 0.031 0.000 2.564 547 S HA 0.334 4.804 4.470 -0.000 0.000 0.274 547 S C 0.699 175.260 174.600 -0.065 0.000 1.124 547 S CA -0.824 57.374 58.200 -0.003 0.000 0.869 547 S CB 1.212 64.423 63.200 0.019 0.000 1.105 547 S HN 0.123 nan 8.310 nan 0.000 0.472 548 I N 1.269 121.783 120.570 -0.094 0.000 2.264 548 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 548 I C 2.740 178.789 176.117 -0.114 0.000 1.111 548 I CA 1.828 63.027 61.300 -0.169 0.000 1.382 548 I CB -0.249 37.628 38.000 -0.205 0.000 1.060 548 I HN 0.941 nan 8.210 nan 0.000 0.418 549 E N 1.099 121.263 120.200 -0.061 0.000 2.077 549 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 549 E C 1.998 178.565 176.600 -0.055 0.000 0.989 549 E CA 1.448 57.823 56.400 -0.043 0.000 0.800 549 E CB 0.071 29.760 29.700 -0.018 0.000 0.746 549 E HN 0.462 nan 8.360 nan 0.000 0.452 550 E N 0.121 120.287 120.200 -0.056 0.000 2.023 550 E HA -0.207 4.142 4.350 -0.000 0.000 0.196 550 E C 2.082 178.609 176.600 -0.122 0.000 1.003 550 E CA 1.273 57.633 56.400 -0.067 0.000 0.809 550 E CB -0.178 29.495 29.700 -0.044 0.000 0.755 550 E HN 0.255 nan 8.360 nan 0.000 0.449 551 I N 1.325 121.802 120.570 -0.155 0.000 2.657 551 I HA -0.270 3.900 4.170 -0.000 0.000 0.261 551 I C 1.715 177.718 176.117 -0.191 0.000 1.212 551 I CA 1.465 62.628 61.300 -0.227 0.000 1.453 551 I CB -0.071 37.800 38.000 -0.215 0.000 1.092 551 I HN 0.138 nan 8.210 nan 0.000 0.452 552 Q N -0.895 118.828 119.800 -0.129 0.000 2.212 552 Q HA -0.055 4.285 4.340 -0.000 0.000 0.199 552 Q C 2.276 178.233 176.000 -0.072 0.000 0.950 552 Q CA 1.273 57.024 55.803 -0.087 0.000 0.863 552 Q CB 0.018 28.724 28.738 -0.054 0.000 0.944 552 Q HN 0.466 nan 8.270 nan 0.000 0.465 553 S N 1.146 116.801 115.700 -0.076 0.000 2.368 553 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 553 S C 1.815 176.372 174.600 -0.071 0.000 1.030 553 S CA 0.854 59.021 58.200 -0.056 0.000 0.999 553 S CB -0.115 63.054 63.200 -0.051 0.000 0.844 553 S HN 0.165 nan 8.310 nan 0.000 0.459 554 L N 1.284 122.426 121.223 -0.134 0.000 2.131 554 L HA 0.021 4.360 4.340 -0.000 0.000 0.210 554 L C 1.962 178.765 176.870 -0.113 0.000 1.092 554 L CA 1.379 56.112 54.840 -0.178 0.000 0.759 554 L CB -0.718 41.106 42.059 -0.391 0.000 0.903 554 L HN 0.325 nan 8.230 nan 0.000 0.435 555 I N -1.715 118.795 120.570 -0.101 0.000 2.333 555 I HA -0.230 3.939 4.170 -0.000 0.000 0.246 555 I C 2.155 178.293 176.117 0.036 0.000 1.106 555 I CA 1.066 62.346 61.300 -0.033 0.000 1.411 555 I CB -0.401 37.572 38.000 -0.047 0.000 1.082 555 I HN 0.202 nan 8.210 nan 0.000 0.420 556 T N 0.955 115.517 114.554 0.012 0.000 2.746 556 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 556 T C 2.054 176.785 174.700 0.051 0.000 1.039 556 T CA 1.423 63.540 62.100 0.029 0.000 1.142 556 T CB -0.334 68.542 68.868 0.013 0.000 0.866 556 T HN 0.451 nan 8.240 nan 0.000 0.444 557 A N 1.723 124.571 122.820 0.046 0.000 1.845 557 A HA -0.223 4.097 4.320 -0.000 0.000 0.215 557 A C 2.179 179.839 177.584 0.127 0.000 1.195 557 A CA 1.874 53.951 52.037 0.066 0.000 0.616 557 A CB -1.213 17.808 19.000 0.034 0.000 0.832 557 A HN 0.670 nan 8.150 nan 0.000 0.443 558 H N -0.122 118.969 119.070 0.035 0.000 2.426 558 H HA -0.183 4.373 4.556 -0.000 0.000 0.298 558 H C 2.051 177.464 175.328 0.143 0.000 1.107 558 H CA 2.036 58.139 56.048 0.093 0.000 1.298 558 H CB -0.071 29.710 29.762 0.032 0.000 1.377 558 H HN 0.746 nan 8.280 nan 0.000 0.519 559 E N 0.392 120.680 120.200 0.145 0.000 2.051 559 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 559 E C 2.306 178.918 176.600 0.019 0.000 0.991 559 E CA 1.261 57.704 56.400 0.070 0.000 0.799 559 E CB 0.047 29.793 29.700 0.077 0.000 0.748 559 E HN 0.634 nan 8.360 nan 0.000 0.449 560 Q N -0.432 119.398 119.800 0.050 0.000 2.124 560 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 560 Q C 2.072 178.101 176.000 0.048 0.000 0.977 560 Q CA 1.339 57.169 55.803 0.044 0.000 0.850 560 Q CB -0.296 28.479 28.738 0.061 0.000 0.901 560 Q HN 0.350 nan 8.270 nan 0.000 0.429 561 F N 2.235 122.152 119.950 -0.055 0.000 2.046 561 F HA -0.187 4.340 4.527 -0.000 0.000 0.297 561 F C 1.861 177.630 175.800 -0.052 0.000 1.123 561 F CA 1.558 59.524 58.000 -0.057 0.000 1.199 561 F CB -0.184 38.733 39.000 -0.137 0.000 0.972 561 F HN -0.201 nan 8.300 nan 0.000 0.474 562 K N 0.339 120.486 120.400 -0.422 0.000 2.228 562 K HA -0.198 4.122 4.320 -0.000 0.000 0.205 562 K C 2.149 178.576 176.600 -0.289 0.000 1.045 562 K CA 1.109 57.125 56.287 -0.451 0.000 0.931 562 K CB -0.611 31.745 32.500 -0.240 0.000 0.727 562 K HN 0.437 nan 8.250 nan 0.000 0.458 563 A N 1.132 123.844 122.820 -0.180 0.000 2.067 563 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 563 A C 2.161 179.687 177.584 -0.097 0.000 1.158 563 A CA 1.904 53.883 52.037 -0.097 0.000 0.661 563 A CB -0.623 18.352 19.000 -0.043 0.000 0.801 563 A HN 0.482 nan 8.150 nan 0.000 0.452 564 T N -2.751 111.713 114.554 -0.151 0.000 3.067 564 T HA 0.145 4.494 4.350 -0.000 0.000 0.257 564 T C 1.741 176.400 174.700 -0.068 0.000 1.105 564 T CA 0.615 62.673 62.100 -0.071 0.000 1.104 564 T CB -0.451 68.440 68.868 0.039 0.000 0.925 564 T HN 0.278 nan 8.240 nan 0.000 0.498 565 L N 1.748 122.876 121.223 -0.158 0.000 2.051 565 L HA -0.057 4.283 4.340 -0.000 0.000 0.214 565 L C 0.082 177.014 176.870 0.104 0.000 1.076 565 L CA 1.837 56.674 54.840 -0.005 0.000 0.758 565 L CB -1.593 40.413 42.059 -0.089 0.000 0.890 565 L HN 0.325 nan 8.230 nan 0.000 0.433 566 P HA -0.242 nan 4.420 nan 0.000 0.210 566 P C 1.201 178.501 177.300 0.001 0.000 1.185 566 P CA 2.150 65.268 63.100 0.030 0.000 0.924 566 P CB -0.111 31.588 31.700 -0.002 0.000 0.786 567 E N 0.642 120.822 120.200 -0.035 0.000 2.265 567 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 567 E C 2.039 178.563 176.600 -0.126 0.000 0.996 567 E CA 1.480 57.834 56.400 -0.077 0.000 0.832 567 E CB -1.289 28.368 29.700 -0.071 0.000 0.756 567 E HN 0.227 nan 8.360 nan 0.000 0.491 568 A N 1.181 123.938 122.820 -0.105 0.000 1.877 568 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 568 A C 2.146 179.607 177.584 -0.206 0.000 1.186 568 A CA 1.816 53.744 52.037 -0.181 0.000 0.620 568 A CB -0.866 18.065 19.000 -0.116 0.000 0.822 568 A HN 0.327 nan 8.150 nan 0.000 0.443 569 D N -0.631 119.687 120.400 -0.137 0.000 2.219 569 D HA -0.023 4.617 4.640 -0.000 0.000 0.205 569 D C 1.987 178.063 176.300 -0.374 0.000 0.970 569 D CA 1.252 54.984 54.000 -0.446 0.000 0.851 569 D CB -0.465 40.285 40.800 -0.082 0.000 0.943 569 D HN 0.330 nan 8.370 nan 0.000 0.488 570 G N 0.507 109.165 108.800 -0.237 0.000 2.511 570 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.216 570 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.216 570 G C 1.595 176.316 174.900 -0.299 0.000 1.218 570 G CA 1.127 46.098 45.100 -0.215 0.000 0.788 570 G HN 0.329 nan 8.290 nan 0.000 0.560 571 E N 0.433 120.432 120.200 -0.336 0.000 2.097 571 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 571 E C 2.381 178.568 176.600 -0.688 0.000 1.000 571 E CA 1.603 57.740 56.400 -0.438 0.000 0.804 571 E CB -0.344 29.116 29.700 -0.399 0.000 0.740 571 E HN 0.470 nan 8.360 nan 0.000 0.454 572 R N -0.080 119.899 120.500 -0.869 0.000 2.103 572 R HA -0.235 4.105 4.340 -0.000 0.000 0.234 572 R C 2.462 178.405 176.300 -0.595 0.000 1.132 572 R CA 2.291 57.799 56.100 -0.986 0.000 0.925 572 R CB -0.333 29.360 30.300 -1.013 0.000 0.842 572 R HN 0.356 nan 8.270 nan 0.000 0.430 573 Q N -0.276 119.253 119.800 -0.453 0.000 2.061 573 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 573 Q C 2.275 178.134 176.000 -0.236 0.000 0.984 573 Q CA 1.801 57.431 55.803 -0.288 0.000 0.846 573 Q CB -0.273 28.332 28.738 -0.222 0.000 0.902 573 Q HN 0.326 nan 8.270 nan 0.000 0.421 574 S N 0.651 116.198 115.700 -0.254 0.000 2.374 574 S HA -0.176 4.294 4.470 -0.000 0.000 0.227 574 S C 1.916 176.406 174.600 -0.184 0.000 1.037 574 S CA 1.067 59.149 58.200 -0.196 0.000 1.024 574 S CB -0.216 62.862 63.200 -0.203 0.000 0.861 574 S HN 0.299 nan 8.310 nan 0.000 0.456 575 I N 0.975 121.380 120.570 -0.275 0.000 2.252 575 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 575 I C 2.411 178.482 176.117 -0.076 0.000 1.102 575 I CA 1.279 62.432 61.300 -0.245 0.000 1.385 575 I CB -0.316 37.408 38.000 -0.460 0.000 1.064 575 I HN 0.374 nan 8.210 nan 0.000 0.414 576 M N 0.148 119.683 119.600 -0.109 0.000 2.358 576 M HA -0.171 4.309 4.480 -0.000 0.000 0.264 576 M C 2.386 178.685 176.300 -0.000 0.000 1.064 576 M CA 1.464 56.754 55.300 -0.017 0.000 1.093 576 M CB -0.487 32.072 32.600 -0.069 0.000 1.401 576 M HN 0.317 nan 8.290 nan 0.000 0.440 577 A N 1.174 123.974 122.820 -0.034 0.000 1.840 577 A HA -0.096 4.224 4.320 -0.000 0.000 0.214 577 A C 2.031 179.622 177.584 0.011 0.000 1.198 577 A CA 1.130 53.152 52.037 -0.024 0.000 0.608 577 A CB -0.752 18.219 19.000 -0.048 0.000 0.839 577 A HN 0.392 nan 8.150 nan 0.000 0.443 578 I N -0.442 120.148 120.570 0.034 0.000 2.143 578 I HA -0.383 3.787 4.170 -0.000 0.000 0.245 578 I C 2.837 179.009 176.117 0.091 0.000 1.068 578 I CA 2.189 63.536 61.300 0.078 0.000 1.326 578 I CB -0.384 37.700 38.000 0.140 0.000 1.028 578 I HN 0.455 nan 8.210 nan 0.000 0.412 579 Q N 1.417 121.307 119.800 0.151 0.000 2.061 579 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 579 Q C 1.762 177.757 176.000 -0.007 0.000 0.984 579 Q CA 2.192 58.020 55.803 0.042 0.000 0.846 579 Q CB -0.290 28.486 28.738 0.064 0.000 0.902 579 Q HN 0.459 nan 8.270 nan 0.000 0.421 580 N N 0.051 118.755 118.700 0.006 0.000 2.104 580 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 580 N C 1.480 176.978 175.510 -0.020 0.000 1.024 580 N CA 1.478 54.521 53.050 -0.011 0.000 0.853 580 N CB -0.202 38.278 38.487 -0.011 0.000 1.008 580 N HN 0.406 nan 8.380 nan 0.000 0.424 581 E N 0.409 120.599 120.200 -0.018 0.000 2.031 581 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 581 E C 1.718 178.297 176.600 -0.035 0.000 0.994 581 E CA 1.106 57.493 56.400 -0.022 0.000 0.800 581 E CB 0.013 29.703 29.700 -0.017 0.000 0.752 581 E HN 0.068 nan 8.360 nan 0.000 0.447 582 V N 1.858 121.733 119.914 -0.064 0.000 2.215 582 V HA -0.343 3.777 4.120 -0.000 0.000 0.249 582 V C 2.162 178.214 176.094 -0.069 0.000 1.054 582 V CA 2.518 64.745 62.300 -0.121 0.000 1.012 582 V CB -0.729 30.971 31.823 -0.205 0.000 0.639 582 V HN 0.377 nan 8.190 nan 0.000 0.448 583 E N -0.378 119.792 120.200 -0.051 0.000 2.273 583 E HA -0.257 4.093 4.350 -0.000 0.000 0.198 583 E C 2.186 178.774 176.600 -0.019 0.000 1.002 583 E CA 0.936 57.320 56.400 -0.027 0.000 0.828 583 E CB -0.153 29.532 29.700 -0.025 0.000 0.747 583 E HN 0.432 nan 8.360 nan 0.000 0.491 584 K N 1.413 121.800 120.400 -0.021 0.000 2.029 584 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 584 K C 2.359 178.951 176.600 -0.013 0.000 1.042 584 K CA 1.331 57.604 56.287 -0.024 0.000 0.949 584 K CB -0.405 32.078 32.500 -0.028 0.000 0.740 584 K HN 0.181 nan 8.250 nan 0.000 0.442 585 V N 0.171 120.099 119.914 0.025 0.000 2.324 585 V HA -0.240 3.880 4.120 -0.000 0.000 0.250 585 V C 2.428 178.648 176.094 0.211 0.000 1.060 585 V CA 1.726 64.105 62.300 0.131 0.000 1.042 585 V CB -0.659 31.266 31.823 0.170 0.000 0.650 585 V HN 0.233 nan 8.190 nan 0.000 0.450 586 I N -0.286 120.350 120.570 0.110 0.000 2.069 586 I HA -0.265 3.905 4.170 -0.000 0.000 0.237 586 I C 3.082 179.253 176.117 0.089 0.000 1.053 586 I CA 2.344 63.708 61.300 0.106 0.000 1.311 586 I CB -0.698 37.327 38.000 0.042 0.000 1.030 586 I HN 0.334 nan 8.210 nan 0.000 0.398 587 Q N 0.491 120.305 119.800 0.023 0.000 2.268 587 Q HA -0.197 4.143 4.340 -0.000 0.000 0.210 587 Q C 1.809 177.773 176.000 -0.059 0.000 0.988 587 Q CA 1.908 57.704 55.803 -0.013 0.000 0.883 587 Q CB -0.310 28.412 28.738 -0.027 0.000 0.911 587 Q HN 0.608 nan 8.270 nan 0.000 0.430 588 S N -1.506 114.113 115.700 -0.135 0.000 2.602 588 S HA 0.156 4.626 4.470 -0.000 0.000 0.246 588 S C -0.056 174.172 174.600 -0.618 0.000 1.009 588 S CA -0.453 57.540 58.200 -0.344 0.000 1.052 588 S CB -0.096 62.843 63.200 -0.435 0.000 0.778 588 S HN 0.267 nan 8.310 nan 0.000 0.455 589 Y N 0.897 121.187 120.300 -0.016 0.000 3.088 589 Y HA 0.190 4.740 4.550 -0.000 0.000 0.293 589 Y C 0.313 176.202 175.900 -0.018 0.000 1.016 589 Y CA -1.029 57.062 58.100 -0.014 0.000 1.285 589 Y CB -0.747 37.707 38.460 -0.011 0.000 1.373 589 Y HN 0.409 nan 8.280 nan 0.000 0.589 590 N N 1.229 119.979 118.700 0.084 0.000 2.704 590 N HA -0.273 4.467 4.740 -0.000 0.000 0.259 590 N C 0.046 175.585 175.510 0.048 0.000 0.957 590 N CA 1.079 54.155 53.050 0.044 0.000 0.804 590 N CB -1.263 37.235 38.487 0.018 0.000 0.917 590 N HN 0.732 nan 8.380 nan 0.000 0.545 591 I N -1.704 118.909 120.570 0.072 0.000 2.499 591 I HA 0.392 4.561 4.170 -0.000 0.000 0.296 591 I C 1.010 177.136 176.117 0.015 0.000 0.992 591 I CA -0.824 60.500 61.300 0.040 0.000 1.297 591 I CB 0.983 39.013 38.000 0.050 0.000 1.410 591 I HN -0.043 nan 8.210 nan 0.000 0.507 592 R N 4.212 124.708 120.500 -0.007 0.000 3.141 592 R HA 0.509 4.849 4.340 -0.000 0.000 0.244 592 R C -0.636 175.663 176.300 -0.002 0.000 1.161 592 R CA 0.171 56.263 56.100 -0.013 0.000 1.091 592 R CB -0.118 30.165 30.300 -0.028 0.000 0.957 592 R HN 0.700 nan 8.270 nan 0.000 0.512 593 I N -0.882 119.683 120.570 -0.009 0.000 7.137 593 I HA -0.242 3.928 4.170 -0.000 0.000 0.126 593 I C -0.531 175.588 176.117 0.002 0.000 1.835 593 I CA 0.369 61.667 61.300 -0.003 0.000 2.037 593 I CB -1.550 36.460 38.000 0.017 0.000 3.601 593 I HN 0.549 nan 8.210 nan 0.000 0.169 594 S N 4.180 119.868 115.700 -0.019 0.000 2.673 594 S HA 0.049 4.519 4.470 -0.000 0.000 0.308 594 S C 1.696 176.286 174.600 -0.016 0.000 1.246 594 S CA 0.657 58.842 58.200 -0.024 0.000 1.077 594 S CB 0.544 63.718 63.200 -0.043 0.000 0.814 594 S HN 0.656 nan 8.310 nan 0.000 0.503 595 S N 3.903 119.608 115.700 0.010 0.000 2.448 595 S HA -0.128 4.342 4.470 -0.000 0.000 0.247 595 S C 1.076 175.684 174.600 0.013 0.000 1.033 595 S CA 1.021 59.255 58.200 0.057 0.000 1.003 595 S CB -0.431 62.780 63.200 0.020 0.000 0.786 595 S HN 0.838 nan 8.310 nan 0.000 0.495 596 S N 2.272 117.916 115.700 -0.093 0.000 2.593 596 S HA -0.051 4.419 4.470 -0.000 0.000 0.300 596 S C 0.105 174.457 174.600 -0.414 0.000 1.267 596 S CA -0.333 57.755 58.200 -0.186 0.000 1.065 596 S CB -0.018 63.100 63.200 -0.137 0.000 0.807 596 S HN 0.356 nan 8.310 nan 0.000 0.499 597 N N 5.445 123.879 118.700 -0.442 0.000 2.402 597 N HA 0.190 4.930 4.740 -0.000 0.000 0.252 597 N C -1.160 174.109 175.510 -0.402 0.000 1.118 597 N CA -1.859 50.831 53.050 -0.601 0.000 0.945 597 N CB 1.403 39.707 38.487 -0.306 0.000 1.147 597 N HN 0.504 nan 8.380 nan 0.000 0.495 598 P HA -0.134 nan 4.420 nan 0.000 0.218 598 P C 0.379 177.480 177.300 -0.333 0.000 1.148 598 P CA 1.330 64.150 63.100 -0.466 0.000 0.822 598 P CB 0.088 31.387 31.700 -0.668 0.000 0.784 599 Y N -0.475 119.808 120.300 -0.029 0.000 2.490 599 Y HA 0.313 4.863 4.550 -0.000 0.000 0.281 599 Y C 1.426 177.366 175.900 0.066 0.000 1.174 599 Y CA -0.092 58.028 58.100 0.033 0.000 1.295 599 Y CB -0.113 38.386 38.460 0.067 0.000 1.062 599 Y HN -0.056 nan 8.280 nan 0.000 0.522 600 S N -1.056 114.745 115.700 0.170 0.000 2.540 600 S HA 0.352 4.822 4.470 -0.000 0.000 0.275 600 S C 0.812 175.487 174.600 0.125 0.000 1.123 600 S CA -0.165 58.150 58.200 0.191 0.000 0.907 600 S CB 0.956 64.358 63.200 0.337 0.000 1.081 600 S HN 0.268 nan 8.310 nan 0.000 0.476 601 T N 1.647 116.273 114.554 0.121 0.000 2.706 601 T HA 0.060 4.410 4.350 -0.000 0.000 0.255 601 T C 1.241 176.009 174.700 0.114 0.000 1.048 601 T CA 0.853 63.007 62.100 0.090 0.000 1.153 601 T CB -0.638 68.276 68.868 0.077 0.000 0.865 601 T HN 0.587 nan 8.240 nan 0.000 0.414 602 V N 3.295 123.301 119.914 0.153 0.000 2.557 602 V HA 0.233 4.353 4.120 -0.000 0.000 0.301 602 V C 0.759 177.000 176.094 0.245 0.000 1.026 602 V CA 0.345 62.753 62.300 0.179 0.000 1.137 602 V CB 0.360 32.292 31.823 0.181 0.000 0.917 602 V HN 0.717 nan 8.190 nan 0.000 0.484 603 T N 6.079 120.743 114.554 0.184 0.000 2.816 603 T HA 0.198 4.548 4.350 -0.000 0.000 0.282 603 T C 0.806 175.657 174.700 0.252 0.000 0.993 603 T CA -0.035 62.166 62.100 0.167 0.000 0.994 603 T CB 1.237 70.158 68.868 0.089 0.000 1.025 603 T HN 0.789 nan 8.240 nan 0.000 0.529 604 M N 1.404 121.135 119.600 0.218 0.000 2.288 604 M HA 0.107 4.587 4.480 -0.000 0.000 0.266 604 M C 1.359 177.757 176.300 0.163 0.000 1.072 604 M CA 1.720 57.169 55.300 0.249 0.000 1.132 604 M CB -0.907 31.804 32.600 0.185 0.000 1.386 604 M HN 0.712 nan 8.290 nan 0.000 0.432 605 D N 0.003 120.474 120.400 0.119 0.000 2.149 605 D HA -0.174 4.466 4.640 -0.000 0.000 0.201 605 D C 1.768 178.139 176.300 0.117 0.000 0.972 605 D CA 1.605 55.666 54.000 0.100 0.000 0.835 605 D CB -0.278 40.564 40.800 0.070 0.000 0.966 605 D HN 0.724 nan 8.370 nan 0.000 0.476 606 E N 0.327 120.602 120.200 0.125 0.000 2.371 606 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 606 E C 1.741 178.441 176.600 0.167 0.000 1.012 606 E CA 0.201 56.677 56.400 0.127 0.000 0.860 606 E CB -0.126 29.640 29.700 0.111 0.000 0.811 606 E HN 0.139 nan 8.360 nan 0.000 0.502 607 L N 1.539 122.881 121.223 0.199 0.000 2.093 607 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 607 L C 2.552 179.595 176.870 0.289 0.000 1.085 607 L CA 1.517 56.511 54.840 0.257 0.000 0.755 607 L CB -0.390 41.825 42.059 0.259 0.000 0.904 607 L HN 0.080 nan 8.230 nan 0.000 0.435 608 R N -1.512 119.125 120.500 0.227 0.000 2.073 608 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 608 R C 2.035 178.498 176.300 0.272 0.000 1.120 608 R CA 1.639 57.887 56.100 0.247 0.000 0.967 608 R CB -0.271 30.129 30.300 0.166 0.000 0.862 608 R HN 0.320 nan 8.270 nan 0.000 0.436 609 T N 1.144 115.815 114.554 0.195 0.000 2.699 609 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 609 T C 1.625 176.426 174.700 0.168 0.000 1.036 609 T CA 1.616 63.811 62.100 0.158 0.000 1.147 609 T CB -0.097 68.839 68.868 0.113 0.000 0.862 609 T HN 0.127 nan 8.240 nan 0.000 0.446 610 K N 0.732 121.249 120.400 0.196 0.000 1.991 610 K HA -0.081 4.239 4.320 -0.000 0.000 0.212 610 K C 1.934 178.669 176.600 0.225 0.000 1.049 610 K CA 1.326 57.719 56.287 0.178 0.000 0.932 610 K CB -0.654 31.960 32.500 0.189 0.000 0.717 610 K HN 0.483 nan 8.250 nan 0.000 0.441 611 W N 1.883 123.281 121.300 0.162 0.000 2.305 611 W HA -0.322 4.338 4.660 -0.000 0.000 0.308 611 W C 0.931 177.542 176.519 0.152 0.000 1.226 611 W CA 2.254 59.721 57.345 0.203 0.000 1.253 611 W CB -0.367 29.246 29.460 0.255 0.000 1.146 611 W HN 0.192 nan 8.180 nan 0.000 0.507 612 D N 0.234 120.753 120.400 0.198 0.000 2.123 612 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 612 D C 2.201 178.482 176.300 -0.032 0.000 0.992 612 D CA 1.505 55.544 54.000 0.066 0.000 0.833 612 D CB -0.443 40.434 40.800 0.127 0.000 0.954 612 D HN -0.079 nan 8.370 nan 0.000 0.455 613 K N 0.552 120.951 120.400 -0.001 0.000 2.009 613 K HA -0.088 4.232 4.320 -0.000 0.000 0.210 613 K C 2.150 178.698 176.600 -0.087 0.000 1.049 613 K CA 0.416 56.686 56.287 -0.029 0.000 0.929 613 K CB -0.729 31.767 32.500 -0.008 0.000 0.714 613 K HN 0.073 nan 8.250 nan 0.000 0.440 614 V N 2.335 122.170 119.914 -0.132 0.000 2.231 614 V HA -0.331 3.789 4.120 -0.000 0.000 0.250 614 V C 2.534 178.515 176.094 -0.189 0.000 1.058 614 V CA 1.914 64.105 62.300 -0.183 0.000 1.022 614 V CB -0.398 31.271 31.823 -0.255 0.000 0.640 614 V HN 0.319 nan 8.190 nan 0.000 0.445 615 K N -0.205 120.003 120.400 -0.319 0.000 2.000 615 K HA -0.304 4.015 4.320 -0.000 0.000 0.218 615 K C 2.229 178.774 176.600 -0.092 0.000 1.053 615 K CA 2.345 58.492 56.287 -0.233 0.000 0.946 615 K CB -0.870 31.475 32.500 -0.259 0.000 0.723 615 K HN 0.675 nan 8.250 nan 0.000 0.446 616 Q N 0.726 120.485 119.800 -0.069 0.000 2.217 616 Q HA -0.172 4.168 4.340 -0.000 0.000 0.209 616 Q C 2.041 178.029 176.000 -0.020 0.000 0.988 616 Q CA 1.292 57.078 55.803 -0.029 0.000 0.878 616 Q CB -0.062 28.665 28.738 -0.019 0.000 0.909 616 Q HN 0.326 nan 8.270 nan 0.000 0.424 617 L N -0.242 120.961 121.223 -0.033 0.000 2.240 617 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 617 L C 2.357 179.243 176.870 0.027 0.000 1.106 617 L CA 0.258 55.087 54.840 -0.020 0.000 0.793 617 L CB -0.230 41.798 42.059 -0.051 0.000 0.927 617 L HN 0.132 nan 8.230 nan 0.000 0.446 618 V N 1.083 121.031 119.914 0.056 0.000 2.220 618 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 618 V C -0.052 176.127 176.094 0.141 0.000 1.049 618 V CA 2.251 64.646 62.300 0.158 0.000 1.003 618 V CB -1.936 29.966 31.823 0.132 0.000 0.634 618 V HN 0.365 nan 8.190 nan 0.000 0.444 619 P HA -0.167 nan 4.420 nan 0.000 0.219 619 P C 1.735 179.054 177.300 0.032 0.000 1.146 619 P CA 1.706 64.841 63.100 0.057 0.000 0.808 619 P CB -0.059 31.662 31.700 0.036 0.000 0.779 620 I N -0.983 119.601 120.570 0.023 0.000 2.353 620 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 620 I C 2.991 179.103 176.117 -0.009 0.000 1.119 620 I CA 0.838 62.139 61.300 0.002 0.000 1.417 620 I CB -0.446 37.550 38.000 -0.007 0.000 1.078 620 I HN -0.160 nan 8.210 nan 0.000 0.421 621 R N 1.527 122.025 120.500 -0.003 0.000 2.062 621 R HA -0.185 4.155 4.340 -0.000 0.000 0.231 621 R C 1.846 178.035 176.300 -0.185 0.000 1.136 621 R CA 2.397 58.459 56.100 -0.064 0.000 0.948 621 R CB -0.585 29.700 30.300 -0.026 0.000 0.845 621 R HN 0.516 nan 8.270 nan 0.000 0.430 622 D N -0.310 119.969 120.400 -0.201 0.000 2.178 622 D HA -0.172 4.468 4.640 -0.000 0.000 0.202 622 D C 1.799 178.048 176.300 -0.085 0.000 0.974 622 D CA 0.662 54.531 54.000 -0.219 0.000 0.841 622 D CB -0.587 40.180 40.800 -0.055 0.000 0.953 622 D HN 0.100 nan 8.370 nan 0.000 0.478 623 Q N 0.323 120.102 119.800 -0.035 0.000 2.170 623 Q HA -0.171 4.169 4.340 -0.000 0.000 0.203 623 Q C 2.011 178.005 176.000 -0.011 0.000 0.976 623 Q CA 1.435 57.230 55.803 -0.015 0.000 0.858 623 Q CB -0.188 28.546 28.738 -0.005 0.000 0.907 623 Q HN 0.392 nan 8.270 nan 0.000 0.433 624 S N -0.261 115.433 115.700 -0.009 0.000 2.357 624 S HA -0.099 4.371 4.470 -0.000 0.000 0.221 624 S C 1.937 176.589 174.600 0.086 0.000 1.031 624 S CA 0.557 58.779 58.200 0.037 0.000 0.982 624 S CB -0.118 63.112 63.200 0.051 0.000 0.853 624 S HN 0.316 nan 8.310 nan 0.000 0.458 625 L N 1.923 123.154 121.223 0.013 0.000 2.079 625 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 625 L C 2.640 179.479 176.870 -0.052 0.000 1.081 625 L CA 1.862 56.658 54.840 -0.074 0.000 0.752 625 L CB -1.498 40.428 42.059 -0.222 0.000 0.896 625 L HN 0.410 nan 8.230 nan 0.000 0.433 626 Q N -0.109 119.671 119.800 -0.034 0.000 2.030 626 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 626 Q C 2.111 178.115 176.000 0.006 0.000 0.986 626 Q CA 2.016 57.812 55.803 -0.012 0.000 0.843 626 Q CB -0.097 28.638 28.738 -0.006 0.000 0.904 626 Q HN 0.578 nan 8.270 nan 0.000 0.420 627 E N -0.239 119.970 120.200 0.015 0.000 2.110 627 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 627 E C 1.924 178.536 176.600 0.021 0.000 0.988 627 E CA 0.967 57.378 56.400 0.018 0.000 0.804 627 E CB -0.079 29.630 29.700 0.014 0.000 0.745 627 E HN 0.328 nan 8.360 nan 0.000 0.458 628 E N 0.948 121.173 120.200 0.041 0.000 2.106 628 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 628 E C 2.121 178.700 176.600 -0.035 0.000 0.984 628 E CA 0.375 56.793 56.400 0.031 0.000 0.806 628 E CB -0.180 29.579 29.700 0.098 0.000 0.750 628 E HN 0.151 nan 8.360 nan 0.000 0.458 629 L N 0.898 122.093 121.223 -0.048 0.000 2.012 629 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 629 L C 2.213 179.079 176.870 -0.007 0.000 1.073 629 L CA 2.334 57.130 54.840 -0.072 0.000 0.748 629 L CB -0.838 41.213 42.059 -0.015 0.000 0.891 629 L HN 0.062 nan 8.230 nan 0.000 0.431 630 A N -0.625 122.226 122.820 0.052 0.000 1.865 630 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 630 A C 2.472 180.084 177.584 0.048 0.000 1.191 630 A CA 1.821 53.907 52.037 0.082 0.000 0.623 630 A CB -0.676 18.351 19.000 0.045 0.000 0.826 630 A HN 0.451 nan 8.150 nan 0.000 0.444 631 R N -0.962 119.541 120.500 0.005 0.000 2.094 631 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 631 R C 2.385 178.664 176.300 -0.034 0.000 1.137 631 R CA 1.866 57.956 56.100 -0.017 0.000 0.943 631 R CB -0.496 29.787 30.300 -0.027 0.000 0.850 631 R HN 0.564 nan 8.270 nan 0.000 0.433 632 Q N -0.505 119.249 119.800 -0.077 0.000 2.084 632 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 632 Q C 2.073 178.012 176.000 -0.102 0.000 0.978 632 Q CA 1.379 57.111 55.803 -0.119 0.000 0.844 632 Q CB -0.539 28.082 28.738 -0.195 0.000 0.898 632 Q HN 0.505 nan 8.270 nan 0.000 0.426 633 H N 0.137 119.192 119.070 -0.024 0.000 2.321 633 H HA -0.007 4.549 4.556 -0.000 0.000 0.300 633 H C 1.910 177.221 175.328 -0.029 0.000 1.087 633 H CA 1.487 57.522 56.048 -0.023 0.000 1.319 633 H CB -0.284 29.466 29.762 -0.020 0.000 1.379 633 H HN 0.285 nan 8.280 nan 0.000 0.501 634 A N 1.443 124.320 122.820 0.096 0.000 1.948 634 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 634 A C 2.314 179.899 177.584 0.002 0.000 1.177 634 A CA 1.975 54.032 52.037 0.032 0.000 0.636 634 A CB -0.419 18.587 19.000 0.010 0.000 0.815 634 A HN 0.395 nan 8.150 nan 0.000 0.449 635 N N -0.123 118.568 118.700 -0.014 0.000 2.084 635 N HA -0.118 4.622 4.740 -0.000 0.000 0.190 635 N C 1.695 177.185 175.510 -0.033 0.000 1.030 635 N CA 1.349 54.375 53.050 -0.040 0.000 0.849 635 N CB -0.363 38.092 38.487 -0.052 0.000 1.012 635 N HN 0.445 nan 8.380 nan 0.000 0.423 636 E N 0.822 121.015 120.200 -0.012 0.000 2.085 636 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 636 E C 2.030 178.596 176.600 -0.058 0.000 0.994 636 E CA 0.676 57.060 56.400 -0.026 0.000 0.801 636 E CB -0.094 29.623 29.700 0.030 0.000 0.743 636 E HN 0.326 nan 8.360 nan 0.000 0.453 637 R N 0.158 120.646 120.500 -0.019 0.000 2.094 637 R HA -0.115 4.225 4.340 -0.000 0.000 0.239 637 R C 2.669 178.950 176.300 -0.031 0.000 1.137 637 R CA 1.277 57.361 56.100 -0.027 0.000 0.943 637 R CB -0.381 29.913 30.300 -0.010 0.000 0.850 637 R HN 0.162 nan 8.270 nan 0.000 0.433 638 L N -0.179 121.030 121.223 -0.023 0.000 2.042 638 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 638 L C 2.723 179.602 176.870 0.014 0.000 1.076 638 L CA 1.398 56.235 54.840 -0.005 0.000 0.749 638 L CB -0.398 41.645 42.059 -0.028 0.000 0.893 638 L HN 0.238 nan 8.230 nan 0.000 0.432 639 R N -0.329 120.150 120.500 -0.035 0.000 2.080 639 R HA -0.148 4.192 4.340 -0.000 0.000 0.236 639 R C 2.563 178.831 176.300 -0.053 0.000 1.137 639 R CA 1.480 57.559 56.100 -0.036 0.000 0.943 639 R CB -0.106 30.144 30.300 -0.083 0.000 0.846 639 R HN 0.317 nan 8.270 nan 0.000 0.431 640 R N 0.294 120.676 120.500 -0.198 0.000 2.070 640 R HA -0.167 4.173 4.340 -0.000 0.000 0.233 640 R C 2.354 178.637 176.300 -0.029 0.000 1.137 640 R CA 1.676 57.653 56.100 -0.206 0.000 0.945 640 R CB -0.485 29.684 30.300 -0.218 0.000 0.845 640 R HN 0.412 nan 8.270 nan 0.000 0.430 641 Q N -0.224 119.573 119.800 -0.005 0.000 2.152 641 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 641 Q C 1.893 177.920 176.000 0.046 0.000 0.985 641 Q CA 1.759 57.570 55.803 0.014 0.000 0.863 641 Q CB -0.253 28.493 28.738 0.014 0.000 0.904 641 Q HN 0.272 nan 8.270 nan 0.000 0.422 642 F N 0.715 120.652 119.950 -0.021 0.000 2.113 642 F HA -0.134 4.393 4.527 -0.000 0.000 0.297 642 F C 2.151 177.970 175.800 0.032 0.000 1.103 642 F CA 1.216 59.221 58.000 0.009 0.000 1.248 642 F CB -0.359 38.661 39.000 0.034 0.000 0.999 642 F HN 0.005 nan 8.300 nan 0.000 0.475 643 A N 0.732 123.668 122.820 0.193 0.000 1.883 643 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 643 A C 2.445 180.044 177.584 0.026 0.000 1.186 643 A CA 2.088 54.215 52.037 0.150 0.000 0.624 643 A CB -1.682 17.455 19.000 0.229 0.000 0.822 643 A HN 0.546 nan 8.150 nan 0.000 0.444 644 A N -0.467 122.359 122.820 0.009 0.000 1.884 644 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 644 A C 2.155 179.705 177.584 -0.056 0.000 1.197 644 A CA 2.028 54.061 52.037 -0.006 0.000 0.637 644 A CB -0.774 18.217 19.000 -0.014 0.000 0.827 644 A HN 0.708 nan 8.150 nan 0.000 0.450 645 Q N -0.835 118.879 119.800 -0.143 0.000 2.046 645 Q HA -0.021 4.319 4.340 -0.000 0.000 0.200 645 Q C 2.465 178.324 176.000 -0.234 0.000 0.975 645 Q CA 1.279 56.960 55.803 -0.204 0.000 0.836 645 Q CB -0.420 28.154 28.738 -0.274 0.000 0.896 645 Q HN 0.663 nan 8.270 nan 0.000 0.428 646 A N 1.953 124.558 122.820 -0.357 0.000 1.908 646 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 646 A C 1.772 179.319 177.584 -0.062 0.000 1.181 646 A CA 1.544 53.396 52.037 -0.308 0.000 0.627 646 A CB -0.538 18.245 19.000 -0.360 0.000 0.818 646 A HN 0.289 nan 8.150 nan 0.000 0.445 647 N N 0.057 118.821 118.700 0.106 0.000 2.519 647 N HA -0.032 4.708 4.740 -0.000 0.000 0.186 647 N C 1.515 177.117 175.510 0.154 0.000 1.062 647 N CA 1.226 54.422 53.050 0.242 0.000 0.910 647 N CB -0.247 38.343 38.487 0.171 0.000 0.958 647 N HN 0.561 nan 8.380 nan 0.000 0.445 648 A N 0.431 123.290 122.820 0.064 0.000 1.909 648 A HA 0.207 4.527 4.320 -0.000 0.000 0.209 648 A C 2.197 179.862 177.584 0.135 0.000 1.247 648 A CA 0.005 52.100 52.037 0.097 0.000 0.660 648 A CB -0.253 18.782 19.000 0.059 0.000 0.910 648 A HN 0.079 nan 8.150 nan 0.000 0.465 649 I N 0.428 121.028 120.570 0.049 0.000 2.208 649 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 649 I C 2.671 178.822 176.117 0.057 0.000 1.097 649 I CA 1.105 62.475 61.300 0.117 0.000 1.363 649 I CB -0.611 37.360 38.000 -0.049 0.000 1.051 649 I HN 0.413 nan 8.210 nan 0.000 0.413 650 G N 2.231 110.896 108.800 -0.225 0.000 2.628 650 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 650 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 650 G C -0.346 174.543 174.900 -0.018 0.000 1.240 650 G CA 1.235 46.074 45.100 -0.435 0.000 0.792 650 G HN 0.299 nan 8.290 nan 0.000 0.593 651 P HA -0.187 nan 4.420 nan 0.000 0.216 651 P C 1.477 178.836 177.300 0.097 0.000 1.150 651 P CA 1.538 64.710 63.100 0.119 0.000 0.837 651 P CB -0.208 31.574 31.700 0.136 0.000 0.786 652 W N 1.035 122.306 121.300 -0.049 0.000 2.335 652 W HA -0.163 4.497 4.660 -0.000 0.000 0.311 652 W C 2.313 178.730 176.519 -0.170 0.000 1.213 652 W CA 1.341 58.599 57.345 -0.144 0.000 1.274 652 W CB -0.754 28.559 29.460 -0.245 0.000 1.148 652 W HN -0.235 nan 8.180 nan 0.000 0.498 653 I N 0.076 120.824 120.570 0.296 0.000 2.286 653 I HA -0.320 3.849 4.170 -0.000 0.000 0.248 653 I C 2.453 178.548 176.117 -0.037 0.000 1.115 653 I CA 1.512 62.928 61.300 0.194 0.000 1.392 653 I CB -0.676 37.485 38.000 0.268 0.000 1.065 653 I HN 0.050 nan 8.210 nan 0.000 0.418 654 Q N 1.295 121.083 119.800 -0.020 0.000 2.084 654 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 654 Q C 1.833 177.746 176.000 -0.145 0.000 0.978 654 Q CA 2.084 57.857 55.803 -0.050 0.000 0.844 654 Q CB -0.414 28.329 28.738 0.009 0.000 0.898 654 Q HN 0.458 nan 8.270 nan 0.000 0.426 655 N N -0.550 118.020 118.700 -0.217 0.000 2.120 655 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 655 N C 1.360 176.610 175.510 -0.433 0.000 1.024 655 N CA 1.438 54.303 53.050 -0.308 0.000 0.852 655 N CB -0.050 38.217 38.487 -0.368 0.000 1.003 655 N HN -0.007 nan 8.380 nan 0.000 0.424 656 K N -0.203 119.838 120.400 -0.598 0.000 2.148 656 K HA 0.057 4.377 4.320 -0.000 0.000 0.204 656 K C 1.837 178.180 176.600 -0.428 0.000 1.050 656 K CA 0.928 56.821 56.287 -0.656 0.000 0.942 656 K CB -0.129 31.898 32.500 -0.790 0.000 0.724 656 K HN 0.224 nan 8.250 nan 0.000 0.446 657 M N 0.294 119.723 119.600 -0.285 0.000 2.108 657 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 657 M C 2.068 178.264 176.300 -0.173 0.000 1.066 657 M CA 1.663 56.852 55.300 -0.186 0.000 1.107 657 M CB -0.837 31.692 32.600 -0.118 0.000 1.356 657 M HN 0.305 nan 8.290 nan 0.000 0.406 658 E N 0.508 120.598 120.200 -0.184 0.000 2.077 658 E HA -0.198 4.151 4.350 -0.000 0.000 0.193 658 E C 1.755 178.254 176.600 -0.168 0.000 0.989 658 E CA 1.256 57.568 56.400 -0.147 0.000 0.800 658 E CB 0.097 29.716 29.700 -0.134 0.000 0.746 658 E HN 0.562 nan 8.360 nan 0.000 0.452 659 E N 0.218 120.246 120.200 -0.286 0.000 2.110 659 E HA -0.181 4.168 4.350 -0.000 0.000 0.193 659 E C 2.181 178.683 176.600 -0.163 0.000 0.988 659 E CA 1.155 57.356 56.400 -0.330 0.000 0.804 659 E CB -0.046 29.191 29.700 -0.772 0.000 0.745 659 E HN 0.403 nan 8.360 nan 0.000 0.458 660 I N 1.005 121.459 120.570 -0.195 0.000 2.233 660 I HA -0.190 3.980 4.170 -0.000 0.000 0.243 660 I C 2.527 178.651 176.117 0.013 0.000 1.093 660 I CA 0.686 61.998 61.300 0.020 0.000 1.380 660 I CB -0.287 37.698 38.000 -0.025 0.000 1.067 660 I HN 0.047 nan 8.210 nan 0.000 0.413 661 A N 0.859 123.654 122.820 -0.041 0.000 2.084 661 A HA -0.193 4.127 4.320 -0.000 0.000 0.221 661 A C 2.176 179.754 177.584 -0.010 0.000 1.161 661 A CA 1.504 53.524 52.037 -0.029 0.000 0.653 661 A CB -0.443 18.530 19.000 -0.045 0.000 0.802 661 A HN 0.362 nan 8.150 nan 0.000 0.457 662 R N -1.682 118.819 120.500 0.001 0.000 1.634 662 R HA 0.225 4.565 4.340 -0.000 0.000 0.119 662 R C 1.915 178.239 176.300 0.041 0.000 1.930 662 R CA 0.824 56.933 56.100 0.015 0.000 1.862 662 R CB -0.501 29.806 30.300 0.011 0.000 1.272 662 R HN 0.776 nan 8.270 nan 0.000 0.535 663 S N -0.527 115.215 115.700 0.070 0.000 2.489 663 S HA -0.264 4.206 4.470 -0.000 0.000 0.243 663 S C 1.485 176.093 174.600 0.013 0.000 1.283 663 S CA 1.852 60.088 58.200 0.060 0.000 1.635 663 S CB -1.796 61.462 63.200 0.096 0.000 2.140 663 S HN 0.428 nan 8.310 nan 0.000 0.658 664 S N 3.105 118.811 115.700 0.011 0.000 2.368 664 S HA 0.047 4.516 4.470 -0.000 0.000 0.224 664 S C 1.880 176.477 174.600 -0.004 0.000 1.029 664 S CA 1.377 59.576 58.200 -0.001 0.000 0.988 664 S CB -0.858 62.342 63.200 -0.001 0.000 0.838 664 S HN 1.000 nan 8.310 nan 0.000 0.462 665 I N 0.379 120.949 120.570 -0.001 0.000 2.811 665 I HA -0.258 3.912 4.170 -0.000 0.000 0.177 665 I C 0.111 176.224 176.117 -0.007 0.000 0.903 665 I CA 0.683 61.982 61.300 -0.003 0.000 1.250 665 I CB -1.561 36.439 38.000 0.000 0.000 0.979 665 I HN 0.180 nan 8.210 nan 0.000 0.372 666 Q N -0.452 119.343 119.800 -0.008 0.000 3.050 666 Q HA -0.128 4.212 4.340 -0.000 0.000 0.074 666 Q C 0.639 176.632 176.000 -0.011 0.000 1.613 666 Q CA 1.080 56.875 55.803 -0.013 0.000 0.348 666 Q CB -1.417 27.310 28.738 -0.018 0.000 0.599 666 Q HN 0.750 nan 8.270 nan 0.000 0.321 667 I N 1.433 121.997 120.570 -0.010 0.000 2.361 667 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 667 I C 2.328 178.439 176.117 -0.010 0.000 1.133 667 I CA 2.012 63.307 61.300 -0.009 0.000 1.413 667 I CB -0.241 37.754 38.000 -0.008 0.000 1.073 667 I HN 0.851 nan 8.210 nan 0.000 0.424 668 T N -1.709 112.838 114.554 -0.012 0.000 2.942 668 T HA 0.193 4.543 4.350 -0.000 0.000 0.265 668 T C 1.106 175.799 174.700 -0.012 0.000 1.062 668 T CA 0.611 62.704 62.100 -0.013 0.000 1.139 668 T CB 0.082 68.941 68.868 -0.015 0.000 0.883 668 T HN 0.496 nan 8.240 nan 0.000 0.468 669 G N 1.057 109.849 108.800 -0.013 0.000 3.071 669 G HA2 0.484 4.444 3.960 -0.000 0.000 0.620 669 G HA3 0.484 4.444 3.960 -0.000 0.000 0.620 669 G C 0.130 175.021 174.900 -0.014 0.000 1.204 669 G CA -0.426 44.667 45.100 -0.012 0.000 1.200 669 G HN 0.970 nan 8.290 nan 0.000 0.530 670 A N 2.904 125.716 122.820 -0.014 0.000 3.050 670 A HA 0.184 4.504 4.320 -0.000 0.000 1.025 670 A C 2.108 179.680 177.584 -0.020 0.000 2.019 670 A CA 2.085 54.112 52.037 -0.017 0.000 3.392 670 A CB -0.619 18.373 19.000 -0.014 0.000 1.704 670 A HN 2.396 nan 8.150 nan 0.000 1.025 671 L N -4.098 117.113 121.223 -0.021 0.000 4.782 671 L HA -0.424 3.916 4.340 -0.000 0.000 0.053 671 L C 1.901 178.754 176.870 -0.029 0.000 3.426 671 L CA 2.118 56.944 54.840 -0.023 0.000 1.357 671 L CB -2.054 39.995 42.059 -0.018 0.000 3.081 671 L HN 0.908 nan 8.230 nan 0.000 0.912 672 E N 0.549 120.733 120.200 -0.027 0.000 2.136 672 E HA -0.213 4.137 4.350 -0.000 0.000 0.202 672 E C 1.629 178.205 176.600 -0.041 0.000 1.019 672 E CA 2.070 58.451 56.400 -0.031 0.000 0.819 672 E CB -0.283 29.401 29.700 -0.026 0.000 0.739 672 E HN 0.548 nan 8.360 nan 0.000 0.458 673 D N -0.539 119.837 120.400 -0.040 0.000 2.234 673 D HA -0.112 4.528 4.640 -0.000 0.000 0.205 673 D C 1.895 178.156 176.300 -0.065 0.000 0.962 673 D CA 0.632 54.602 54.000 -0.049 0.000 0.855 673 D CB 0.018 40.794 40.800 -0.039 0.000 0.951 673 D HN 0.303 nan 8.370 nan 0.000 0.500 674 Q N 0.137 119.904 119.800 -0.056 0.000 2.083 674 Q HA -0.145 4.195 4.340 -0.000 0.000 0.198 674 Q C 2.123 178.070 176.000 -0.088 0.000 0.969 674 Q CA 0.854 56.618 55.803 -0.065 0.000 0.838 674 Q CB 0.021 28.735 28.738 -0.040 0.000 0.900 674 Q HN 0.014 nan 8.270 nan 0.000 0.436 675 M N 1.141 120.699 119.600 -0.070 0.000 2.086 675 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 675 M C 1.490 177.731 176.300 -0.099 0.000 1.067 675 M CA 1.957 57.214 55.300 -0.071 0.000 1.116 675 M CB -0.573 31.999 32.600 -0.048 0.000 1.348 675 M HN 0.230 nan 8.290 nan 0.000 0.407 676 N N -0.505 118.137 118.700 -0.096 0.000 2.132 676 N HA -0.252 4.487 4.740 -0.000 0.000 0.191 676 N C 1.745 177.148 175.510 -0.178 0.000 1.015 676 N CA 1.819 54.803 53.050 -0.110 0.000 0.864 676 N CB -0.155 38.278 38.487 -0.091 0.000 1.006 676 N HN 0.608 nan 8.380 nan 0.000 0.430 677 Q N -0.236 119.419 119.800 -0.242 0.000 2.062 677 Q HA 0.023 4.363 4.340 -0.000 0.000 0.196 677 Q C 1.967 177.556 176.000 -0.685 0.000 0.967 677 Q CA 0.717 56.240 55.803 -0.466 0.000 0.832 677 Q CB 0.037 28.521 28.738 -0.424 0.000 0.899 677 Q HN 0.380 nan 8.270 nan 0.000 0.442 678 L N 0.647 121.635 121.223 -0.392 0.000 2.042 678 L HA -0.242 4.097 4.340 -0.000 0.000 0.210 678 L C 2.413 179.200 176.870 -0.138 0.000 1.076 678 L CA 1.062 55.767 54.840 -0.224 0.000 0.749 678 L CB -0.397 41.615 42.059 -0.077 0.000 0.893 678 L HN 0.123 nan 8.230 nan 0.000 0.432 679 K N -0.044 120.283 120.400 -0.121 0.000 2.147 679 K HA -0.217 4.103 4.320 -0.000 0.000 0.205 679 K C 1.961 178.550 176.600 -0.018 0.000 1.049 679 K CA 1.247 57.508 56.287 -0.044 0.000 0.936 679 K CB -0.261 32.214 32.500 -0.042 0.000 0.722 679 K HN 0.472 nan 8.250 nan 0.000 0.446 680 Q N -0.206 119.526 119.800 -0.114 0.000 2.123 680 Q HA -0.119 4.220 4.340 -0.000 0.000 0.199 680 Q C 1.794 177.886 176.000 0.154 0.000 0.966 680 Q CA 1.185 56.965 55.803 -0.038 0.000 0.845 680 Q CB -0.121 28.538 28.738 -0.133 0.000 0.907 680 Q HN 0.446 nan 8.270 nan 0.000 0.439 681 Y N 0.657 120.983 120.300 0.044 0.000 2.181 681 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 681 Y C 2.462 178.406 175.900 0.073 0.000 1.146 681 Y CA 0.994 59.112 58.100 0.031 0.000 1.164 681 Y CB -0.042 38.398 38.460 -0.035 0.000 0.982 681 Y HN 0.355 nan 8.280 nan 0.000 0.515 682 E N -0.041 120.290 120.200 0.218 0.000 2.097 682 E HA -0.315 4.035 4.350 -0.000 0.000 0.196 682 E C 2.176 178.890 176.600 0.191 0.000 1.000 682 E CA 1.373 57.862 56.400 0.150 0.000 0.804 682 E CB -0.330 29.429 29.700 0.098 0.000 0.740 682 E HN 0.489 nan 8.360 nan 0.000 0.454 683 H N 0.258 119.398 119.070 0.117 0.000 2.387 683 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 683 H C 1.646 177.082 175.328 0.180 0.000 1.090 683 H CA 1.661 57.783 56.048 0.122 0.000 1.332 683 H CB 0.183 29.999 29.762 0.091 0.000 1.386 683 H HN 0.200 nan 8.280 nan 0.000 0.516 684 N N 0.954 119.852 118.700 0.330 0.000 2.106 684 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 684 N C 2.218 177.974 175.510 0.410 0.000 1.029 684 N CA 0.929 54.201 53.050 0.370 0.000 0.848 684 N CB -0.235 38.499 38.487 0.412 0.000 1.007 684 N HN 0.319 nan 8.380 nan 0.000 0.423 685 I N 2.009 122.809 120.570 0.384 0.000 2.069 685 I HA -0.270 3.900 4.170 -0.000 0.000 0.237 685 I C 2.403 178.731 176.117 0.352 0.000 1.053 685 I CA 1.080 62.603 61.300 0.372 0.000 1.311 685 I CB -1.267 36.793 38.000 0.100 0.000 1.030 685 I HN 0.073 nan 8.210 nan 0.000 0.398 686 I N 0.976 121.662 120.570 0.194 0.000 2.113 686 I HA -0.384 3.786 4.170 -0.000 0.000 0.242 686 I C 2.191 178.367 176.117 0.099 0.000 1.057 686 I CA 2.292 63.673 61.300 0.134 0.000 1.314 686 I CB -0.609 37.410 38.000 0.032 0.000 1.022 686 I HN 0.373 nan 8.210 nan 0.000 0.408 687 N N -0.355 118.362 118.700 0.028 0.000 2.550 687 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 687 N C 1.475 177.016 175.510 0.051 0.000 1.110 687 N CA 0.797 53.844 53.050 -0.006 0.000 0.912 687 N CB -0.102 38.342 38.487 -0.072 0.000 0.968 687 N HN 0.386 nan 8.380 nan 0.000 0.448 688 Y N 0.220 120.493 120.300 -0.044 0.000 2.458 688 Y HA 0.270 4.820 4.550 -0.000 0.000 0.254 688 Y C 1.958 177.682 175.900 -0.293 0.000 1.120 688 Y CA 0.110 58.052 58.100 -0.263 0.000 1.282 688 Y CB 0.059 38.162 38.460 -0.595 0.000 1.109 688 Y HN -0.053 nan 8.280 nan 0.000 0.526 689 K N 1.190 121.581 120.400 -0.015 0.000 2.034 689 K HA -0.301 4.019 4.320 -0.000 0.000 0.214 689 K C 1.854 178.222 176.600 -0.387 0.000 1.051 689 K CA 2.165 58.324 56.287 -0.214 0.000 0.931 689 K CB -0.493 32.039 32.500 0.052 0.000 0.715 689 K HN 0.526 nan 8.250 nan 0.000 0.446 690 N N 0.948 119.477 118.700 -0.285 0.000 2.247 690 N HA -0.249 4.491 4.740 -0.000 0.000 0.189 690 N C 0.984 176.261 175.510 -0.388 0.000 1.009 690 N CA 1.787 54.669 53.050 -0.281 0.000 0.872 690 N CB -0.806 37.551 38.487 -0.216 0.000 0.980 690 N HN 0.344 nan 8.380 nan 0.000 0.436 691 N N 0.830 119.176 118.700 -0.590 0.000 2.216 691 N HA -0.020 4.720 4.740 -0.000 0.000 0.183 691 N C 1.750 176.916 175.510 -0.572 0.000 1.017 691 N CA 0.724 53.372 53.050 -0.669 0.000 0.861 691 N CB -0.081 37.721 38.487 -1.142 0.000 0.986 691 N HN 0.262 nan 8.380 nan 0.000 0.428 692 I N 1.583 121.748 120.570 -0.676 0.000 2.252 692 I HA -0.161 4.008 4.170 -0.000 0.000 0.245 692 I C 1.519 177.402 176.117 -0.389 0.000 1.102 692 I CA 1.118 62.050 61.300 -0.613 0.000 1.385 692 I CB -1.201 36.205 38.000 -0.991 0.000 1.064 692 I HN -0.002 nan 8.210 nan 0.000 0.414 693 D N 1.100 121.295 120.400 -0.342 0.000 2.087 693 D HA -0.236 4.404 4.640 -0.000 0.000 0.192 693 D C 2.242 178.446 176.300 -0.160 0.000 0.993 693 D CA 1.733 55.609 54.000 -0.206 0.000 0.828 693 D CB -0.072 40.626 40.800 -0.170 0.000 0.968 693 D HN 0.224 nan 8.370 nan 0.000 0.448 694 K N 0.470 120.758 120.400 -0.186 0.000 2.015 694 K HA -0.220 4.099 4.320 -0.000 0.000 0.220 694 K C 2.152 178.689 176.600 -0.104 0.000 1.055 694 K CA 1.238 57.440 56.287 -0.141 0.000 0.951 694 K CB -0.536 31.858 32.500 -0.176 0.000 0.725 694 K HN 0.113 nan 8.250 nan 0.000 0.449 695 L N 0.946 122.072 121.223 -0.161 0.000 2.011 695 L HA -0.332 4.008 4.340 -0.000 0.000 0.225 695 L C 2.576 179.481 176.870 0.058 0.000 1.084 695 L CA 2.360 57.129 54.840 -0.118 0.000 0.791 695 L CB -0.649 41.270 42.059 -0.235 0.000 0.898 695 L HN 0.469 nan 8.230 nan 0.000 0.440 696 E N -0.415 119.787 120.200 0.003 0.000 2.114 696 E HA -0.227 4.122 4.350 -0.000 0.000 0.199 696 E C 1.870 178.550 176.600 0.133 0.000 1.008 696 E CA 1.796 58.241 56.400 0.075 0.000 0.810 696 E CB -0.458 29.240 29.700 -0.003 0.000 0.739 696 E HN 0.594 nan 8.360 nan 0.000 0.456 697 G N -0.311 108.526 108.800 0.061 0.000 2.408 697 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.217 697 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.217 697 G C 1.106 176.054 174.900 0.080 0.000 1.150 697 G CA 0.875 46.007 45.100 0.053 0.000 0.776 697 G HN 0.210 nan 8.290 nan 0.000 0.542 698 D N -1.020 119.453 120.400 0.121 0.000 2.317 698 D HA -0.003 4.637 4.640 -0.000 0.000 0.211 698 D C 1.861 178.288 176.300 0.212 0.000 0.966 698 D CA 0.236 54.324 54.000 0.146 0.000 0.876 698 D CB -0.252 40.648 40.800 0.166 0.000 0.927 698 D HN 0.476 nan 8.370 nan 0.000 0.519 699 H N 0.709 119.880 119.070 0.168 0.000 2.326 699 H HA -0.089 4.467 4.556 -0.000 0.000 0.301 699 H C 1.948 177.279 175.328 0.006 0.000 1.081 699 H CA 1.420 57.514 56.048 0.078 0.000 1.334 699 H CB 0.377 30.224 29.762 0.141 0.000 1.385 699 H HN 0.129 nan 8.280 nan 0.000 0.504 700 Q N 0.175 119.965 119.800 -0.017 0.000 2.096 700 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 700 Q C 2.228 178.165 176.000 -0.104 0.000 0.982 700 Q CA 1.473 57.223 55.803 -0.088 0.000 0.850 700 Q CB 0.118 28.857 28.738 0.001 0.000 0.901 700 Q HN 0.334 nan 8.270 nan 0.000 0.422 701 L N 0.494 121.680 121.223 -0.061 0.000 2.056 701 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 701 L C 2.215 179.012 176.870 -0.122 0.000 1.078 701 L CA 1.450 56.249 54.840 -0.069 0.000 0.749 701 L CB -0.714 41.326 42.059 -0.032 0.000 0.901 701 L HN 0.341 nan 8.230 nan 0.000 0.433 702 I N -1.006 119.474 120.570 -0.151 0.000 2.208 702 I HA -0.372 3.798 4.170 -0.000 0.000 0.245 702 I C 2.541 178.463 176.117 -0.324 0.000 1.097 702 I CA 1.299 62.465 61.300 -0.222 0.000 1.363 702 I CB -0.092 37.756 38.000 -0.253 0.000 1.051 702 I HN 0.434 nan 8.210 nan 0.000 0.413 703 Q N 0.124 119.734 119.800 -0.316 0.000 2.079 703 Q HA -0.214 4.126 4.340 -0.000 0.000 0.200 703 Q C 1.985 177.864 176.000 -0.201 0.000 0.974 703 Q CA 1.289 56.941 55.803 -0.251 0.000 0.840 703 Q CB -0.101 28.578 28.738 -0.100 0.000 0.898 703 Q HN 0.551 nan 8.270 nan 0.000 0.430 704 E N 0.479 120.594 120.200 -0.142 0.000 2.265 704 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 704 E C 1.425 177.952 176.600 -0.120 0.000 0.996 704 E CA 0.799 57.143 56.400 -0.093 0.000 0.832 704 E CB -0.008 29.652 29.700 -0.067 0.000 0.756 704 E HN 0.272 nan 8.360 nan 0.000 0.491 705 A N 0.904 123.617 122.820 -0.179 0.000 2.251 705 A HA 0.065 4.385 4.320 -0.000 0.000 0.209 705 A C 0.684 178.124 177.584 -0.240 0.000 1.187 705 A CA -0.058 51.876 52.037 -0.172 0.000 0.823 705 A CB 0.088 18.995 19.000 -0.156 0.000 0.846 705 A HN 0.199 nan 8.150 nan 0.000 0.486 706 L N -1.798 119.196 121.223 -0.383 0.000 3.717 706 L HA -0.153 4.187 4.340 -0.000 0.000 0.411 706 L C -0.398 176.030 176.870 -0.736 0.000 1.233 706 L CA 0.382 54.896 54.840 -0.542 0.000 0.917 706 L CB -2.930 39.045 42.059 -0.140 0.000 1.902 706 L HN 0.192 nan 8.230 nan 0.000 0.894 707 V N -0.001 119.388 119.914 -0.876 0.000 2.370 707 V HA 0.431 4.551 4.120 -0.000 0.000 0.283 707 V C 0.780 176.406 176.094 -0.779 0.000 1.023 707 V CA -0.077 61.882 62.300 -0.569 0.000 0.857 707 V CB 1.589 33.229 31.823 -0.305 0.000 0.985 707 V HN 0.232 nan 8.190 nan 0.000 0.443 708 F N 2.329 122.245 119.950 -0.056 0.000 2.817 708 F HA 0.301 4.828 4.527 -0.000 0.000 0.319 708 F C 0.431 176.197 175.800 -0.057 0.000 1.136 708 F CA -0.668 57.291 58.000 -0.069 0.000 1.177 708 F CB 0.970 39.933 39.000 -0.062 0.000 1.088 708 F HN 0.563 nan 8.300 nan 0.000 0.520 709 D N -0.089 120.346 120.400 0.058 0.000 2.649 709 D HA 0.236 4.876 4.640 -0.000 0.000 0.249 709 D C -1.219 175.102 176.300 0.035 0.000 1.112 709 D CA -0.467 53.561 54.000 0.047 0.000 0.850 709 D CB 2.138 42.962 40.800 0.039 0.000 1.399 709 D HN -0.097 nan 8.370 nan 0.000 0.503 710 N N 2.015 120.747 118.700 0.053 0.000 2.640 710 N HA 0.048 4.788 4.740 -0.000 0.000 0.262 710 N C 0.372 175.964 175.510 0.137 0.000 1.174 710 N CA -0.450 52.663 53.050 0.106 0.000 0.791 710 N CB 1.502 40.039 38.487 0.083 0.000 1.279 710 N HN 0.568 nan 8.380 nan 0.000 0.535 711 K N 0.843 121.332 120.400 0.147 0.000 2.555 711 K HA 0.004 4.324 4.320 -0.000 0.000 0.193 711 K C -0.086 176.509 176.600 -0.008 0.000 1.032 711 K CA 0.976 57.285 56.287 0.036 0.000 1.004 711 K CB -0.054 32.418 32.500 -0.046 0.000 0.804 711 K HN 0.346 nan 8.250 nan 0.000 0.496 712 H N 0.550 119.652 119.070 0.054 0.000 2.536 712 H HA 0.174 4.730 4.556 -0.000 0.000 0.276 712 H C -0.529 174.843 175.328 0.072 0.000 1.019 712 H CA 0.486 56.571 56.048 0.061 0.000 1.159 712 H CB 0.634 30.441 29.762 0.076 0.000 1.373 712 H HN 0.264 nan 8.280 nan 0.000 0.584 713 T N -0.885 113.760 114.554 0.151 0.000 2.907 713 T HA 0.126 4.476 4.350 -0.000 0.000 0.344 713 T C -0.826 173.871 174.700 -0.005 0.000 1.675 713 T CA -0.917 61.241 62.100 0.097 0.000 1.076 713 T CB 0.522 69.529 68.868 0.231 0.000 1.483 713 T HN 0.095 nan 8.240 nan 0.000 0.487 714 N N 2.028 120.605 118.700 -0.204 0.000 2.320 714 N HA 0.309 5.049 4.740 -0.000 0.000 0.237 714 N C -0.050 175.224 175.510 -0.393 0.000 1.129 714 N CA -0.105 52.777 53.050 -0.279 0.000 0.854 714 N CB 0.099 38.389 38.487 -0.327 0.000 1.083 714 N HN 0.439 nan 8.380 nan 0.000 0.504 715 Y N 0.869 121.155 120.300 -0.024 0.000 2.265 715 Y HA 0.130 4.680 4.550 -0.000 0.000 0.290 715 Y C 0.809 176.604 175.900 -0.176 0.000 1.137 715 Y CA 0.696 58.746 58.100 -0.083 0.000 1.147 715 Y CB -0.427 38.060 38.460 0.044 0.000 1.104 715 Y HN 0.111 nan 8.280 nan 0.000 0.514 716 T N -2.327 112.409 114.554 0.304 0.000 0.567 716 T HA -0.257 4.093 4.350 -0.000 0.000 0.771 716 T C 0.449 175.313 174.700 0.274 0.000 0.992 716 T CA 0.341 62.562 62.100 0.202 0.000 4.062 716 T CB -1.095 67.793 68.868 0.033 0.000 2.294 716 T HN 0.343 nan 8.240 nan 0.000 0.396 717 M N 1.896 121.623 119.600 0.212 0.000 2.153 717 M HA -0.155 4.325 4.480 -0.000 0.000 0.253 717 M C 1.868 178.187 176.300 0.032 0.000 1.081 717 M CA 3.118 58.419 55.300 0.002 0.000 1.076 717 M CB -0.875 31.260 32.600 -0.775 0.000 1.350 717 M HN 0.926 nan 8.290 nan 0.000 0.401 718 E N -0.862 119.396 120.200 0.097 0.000 2.007 718 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 718 E C 1.856 178.585 176.600 0.215 0.000 0.999 718 E CA 2.206 58.696 56.400 0.150 0.000 0.811 718 E CB -0.476 29.332 29.700 0.180 0.000 0.762 718 E HN 0.691 nan 8.360 nan 0.000 0.450 719 H N -0.376 118.759 119.070 0.109 0.000 2.325 719 H HA -0.180 4.376 4.556 -0.000 0.000 0.293 719 H C 1.981 177.363 175.328 0.090 0.000 1.106 719 H CA 1.750 57.878 56.048 0.134 0.000 1.247 719 H CB -0.517 29.390 29.762 0.242 0.000 1.359 719 H HN 0.188 nan 8.280 nan 0.000 0.488 720 I N 0.379 121.062 120.570 0.188 0.000 2.226 720 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 720 I C 2.419 178.611 176.117 0.124 0.000 1.100 720 I CA 1.239 62.582 61.300 0.071 0.000 1.374 720 I CB -0.422 37.558 38.000 -0.034 0.000 1.057 720 I HN 0.133 nan 8.210 nan 0.000 0.413 721 R N -0.434 120.130 120.500 0.108 0.000 2.080 721 R HA -0.144 4.196 4.340 -0.000 0.000 0.236 721 R C 2.314 178.709 176.300 0.159 0.000 1.137 721 R CA 1.687 57.863 56.100 0.126 0.000 0.943 721 R CB -0.719 29.630 30.300 0.081 0.000 0.846 721 R HN 0.195 nan 8.270 nan 0.000 0.431 722 V N 0.291 120.271 119.914 0.110 0.000 2.255 722 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 722 V C 2.412 178.565 176.094 0.099 0.000 1.051 722 V CA 2.196 64.544 62.300 0.081 0.000 1.018 722 V CB -1.134 30.707 31.823 0.030 0.000 0.641 722 V HN 0.613 nan 8.190 nan 0.000 0.445 723 G N -1.001 107.870 108.800 0.118 0.000 2.491 723 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.218 723 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.218 723 G C 1.530 176.529 174.900 0.166 0.000 1.180 723 G CA 0.998 46.172 45.100 0.123 0.000 0.774 723 G HN 0.631 nan 8.290 nan 0.000 0.562 724 W N 1.458 122.781 121.300 0.038 0.000 2.374 724 W HA -0.023 4.637 4.660 -0.000 0.000 0.288 724 W C 2.100 178.647 176.519 0.047 0.000 1.218 724 W CA 1.493 58.872 57.345 0.056 0.000 1.245 724 W CB 0.049 29.541 29.460 0.054 0.000 1.126 724 W HN 0.405 nan 8.180 nan 0.000 0.545 725 E N 0.266 120.558 120.200 0.153 0.000 2.152 725 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 725 E C 2.027 178.601 176.600 -0.043 0.000 0.983 725 E CA 1.034 57.459 56.400 0.042 0.000 0.818 725 E CB -0.415 29.346 29.700 0.102 0.000 0.758 725 E HN 0.112 nan 8.360 nan 0.000 0.467 726 L N 0.831 122.040 121.223 -0.023 0.000 2.072 726 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 726 L C 2.014 178.828 176.870 -0.095 0.000 1.079 726 L CA 1.196 56.011 54.840 -0.041 0.000 0.752 726 L CB -0.426 41.623 42.059 -0.016 0.000 0.906 726 L HN 0.127 nan 8.230 nan 0.000 0.436 727 L N -0.689 120.447 121.223 -0.146 0.000 1.970 727 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 727 L C 2.334 179.048 176.870 -0.261 0.000 1.071 727 L CA 1.893 56.602 54.840 -0.218 0.000 0.751 727 L CB -0.954 40.923 42.059 -0.303 0.000 0.889 727 L HN 0.250 nan 8.230 nan 0.000 0.432 728 L N -0.660 120.336 121.223 -0.379 0.000 2.129 728 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 728 L C 2.423 179.207 176.870 -0.144 0.000 1.087 728 L CA 2.185 56.852 54.840 -0.288 0.000 0.757 728 L CB -1.231 40.651 42.059 -0.295 0.000 0.896 728 L HN 0.334 nan 8.230 nan 0.000 0.434 729 T N -2.080 112.407 114.554 -0.112 0.000 2.896 729 T HA -0.113 4.237 4.350 -0.000 0.000 0.263 729 T C 1.834 176.500 174.700 -0.056 0.000 1.050 729 T CA 1.556 63.618 62.100 -0.064 0.000 1.140 729 T CB -0.107 68.735 68.868 -0.044 0.000 0.877 729 T HN 0.348 nan 8.240 nan 0.000 0.457 730 T N 2.764 117.276 114.554 -0.069 0.000 2.737 730 T HA -0.006 4.344 4.350 -0.000 0.000 0.265 730 T C 1.992 176.666 174.700 -0.043 0.000 1.038 730 T CA 1.157 63.225 62.100 -0.054 0.000 1.144 730 T CB -0.405 68.425 68.868 -0.062 0.000 0.866 730 T HN 0.440 nan 8.240 nan 0.000 0.434 731 I N 1.722 122.260 120.570 -0.053 0.000 2.142 731 I HA -0.132 4.038 4.170 -0.000 0.000 0.240 731 I C 3.018 179.125 176.117 -0.017 0.000 1.078 731 I CA 1.321 62.608 61.300 -0.022 0.000 1.343 731 I CB -1.045 36.944 38.000 -0.018 0.000 1.046 731 I HN 0.140 nan 8.210 nan 0.000 0.405 732 A N 1.403 124.207 122.820 -0.028 0.000 1.884 732 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 732 A C 2.547 180.123 177.584 -0.014 0.000 1.197 732 A CA 2.503 54.529 52.037 -0.018 0.000 0.637 732 A CB -0.891 18.096 19.000 -0.022 0.000 0.827 732 A HN 0.449 nan 8.150 nan 0.000 0.450 733 R N -1.131 119.359 120.500 -0.018 0.000 2.082 733 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 733 R C 2.347 178.640 176.300 -0.011 0.000 1.136 733 R CA 2.312 58.404 56.100 -0.014 0.000 0.935 733 R CB -0.806 29.484 30.300 -0.017 0.000 0.842 733 R HN 0.520 nan 8.270 nan 0.000 0.430 734 T N 1.438 115.986 114.554 -0.010 0.000 2.635 734 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 734 T C 1.876 176.573 174.700 -0.005 0.000 1.040 734 T CA 1.824 63.921 62.100 -0.005 0.000 1.156 734 T CB -0.289 68.580 68.868 0.002 0.000 0.863 734 T HN 0.224 nan 8.240 nan 0.000 0.430 735 I N 1.606 122.174 120.570 -0.004 0.000 2.248 735 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 735 I C 2.738 178.850 176.117 -0.008 0.000 1.107 735 I CA 1.166 62.462 61.300 -0.008 0.000 1.373 735 I CB -0.505 37.492 38.000 -0.006 0.000 1.055 735 I HN 0.388 nan 8.210 nan 0.000 0.418 736 N N 1.201 119.897 118.700 -0.007 0.000 2.039 736 N HA -0.225 4.515 4.740 -0.000 0.000 0.193 736 N C 1.692 177.198 175.510 -0.007 0.000 1.044 736 N CA 1.691 54.737 53.050 -0.007 0.000 0.847 736 N CB -0.021 38.462 38.487 -0.006 0.000 1.030 736 N HN 0.423 nan 8.380 nan 0.000 0.422 737 E N 0.127 120.322 120.200 -0.008 0.000 2.130 737 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 737 E C 2.028 178.623 176.600 -0.008 0.000 0.998 737 E CA 1.035 57.430 56.400 -0.007 0.000 0.806 737 E CB 0.016 29.712 29.700 -0.007 0.000 0.738 737 E HN 0.230 nan 8.360 nan 0.000 0.459 738 V N 1.502 121.410 119.914 -0.010 0.000 2.809 738 V HA -0.170 3.950 4.120 -0.000 0.000 0.256 738 V C 1.943 178.030 176.094 -0.012 0.000 1.080 738 V CA 1.436 63.729 62.300 -0.012 0.000 1.102 738 V CB -0.373 31.440 31.823 -0.016 0.000 0.705 738 V HN 0.219 nan 8.190 nan 0.000 0.475 739 E N -0.052 120.142 120.200 -0.011 0.000 2.107 739 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 739 E C 2.294 178.889 176.600 -0.008 0.000 0.982 739 E CA 1.666 58.060 56.400 -0.010 0.000 0.809 739 E CB -0.220 29.475 29.700 -0.008 0.000 0.756 739 E HN 0.536 nan 8.360 nan 0.000 0.459 740 T N 1.068 115.618 114.554 -0.008 0.000 2.746 740 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 740 T C 1.836 176.532 174.700 -0.007 0.000 1.039 740 T CA 1.269 63.365 62.100 -0.007 0.000 1.142 740 T CB -0.167 68.698 68.868 -0.006 0.000 0.866 740 T HN 0.033 nan 8.240 nan 0.000 0.444 741 Q N 0.702 120.497 119.800 -0.008 0.000 1.985 741 Q HA -0.010 4.330 4.340 -0.000 0.000 0.207 741 Q C 1.889 177.884 176.000 -0.009 0.000 0.996 741 Q CA 1.293 57.091 55.803 -0.009 0.000 0.851 741 Q CB -0.507 28.225 28.738 -0.010 0.000 0.921 741 Q HN 0.525 nan 8.270 nan 0.000 0.418 742 I N 0.937 121.500 120.570 -0.010 0.000 3.472 742 I HA -0.136 4.034 4.170 -0.000 0.000 0.313 742 I C 0.156 176.267 176.117 -0.009 0.000 1.173 742 I CA 0.191 61.485 61.300 -0.011 0.000 1.198 742 I CB 0.084 38.076 38.000 -0.013 0.000 0.992 742 I HN 0.255 nan 8.210 nan 0.000 0.538 743 L N -0.573 120.646 121.223 -0.008 0.000 2.688 743 L HA 0.173 4.513 4.340 -0.000 0.000 0.216 743 L C 1.553 178.419 176.870 -0.006 0.000 1.036 743 L CA 0.859 55.696 54.840 -0.006 0.000 0.906 743 L CB -0.156 41.899 42.059 -0.006 0.000 1.501 743 L HN 0.039 nan 8.230 nan 0.000 0.489 744 T N 1.577 116.128 114.554 -0.006 0.000 3.500 744 T HA 0.096 4.446 4.350 -0.000 0.000 0.244 744 T C 1.376 176.073 174.700 -0.006 0.000 0.962 744 T CA 0.235 62.332 62.100 -0.005 0.000 0.932 744 T CB 0.073 68.938 68.868 -0.005 0.000 1.096 744 T HN 0.188 nan 8.240 nan 0.000 0.617 745 R N 0.072 120.568 120.500 -0.006 0.000 3.054 745 R HA 0.096 4.435 4.340 -0.000 0.000 0.112 745 R C -0.377 175.919 176.300 -0.006 0.000 0.821 745 R CA 0.064 56.161 56.100 -0.006 0.000 2.011 745 R CB 0.070 30.366 30.300 -0.007 0.000 1.632 745 R HN 0.298 nan 8.270 nan 0.000 0.493 746 D N 0.000 120.396 120.400 -0.007 0.000 6.856 746 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 746 D CA 0.000 53.996 54.000 -0.007 0.000 0.868 746 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 746 D HN 0.000 nan 8.370 nan 0.000 0.683