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 3m8r_1_A DATA FIRST_RESID 294 DATA SEQUENCE LEEAPWPPPE GAFVGFVLSR KEPMWADLLA LAAARGGRVH RAPEPYKALR DATA SEQUENCE DLKEARGLLA KDLSVLALRE GLGLPPGDDP MLLAYLLDPS NTTPEGVARR DATA SEQUENCE YGGEWTEEAG ERAALSERLF ANLWGRLEGE ERLLWLYREV ERPLSAVLAH DATA SEQUENCE MEATGVRLDV AYLRALSLEV AEEIARLEAE VFRLAGHPFN LNSRDQLERV DATA SEQUENCE LFDELGLPAI GKTEKTGKRS TSAAVLEALR EAHPIVEKIL QYRELTKLKS DATA SEQUENCE TYIDPLPDLI HPRTGRLHTR FNQTATATGR LSSSDPNLQN IPVRTPLGQR DATA SEQUENCE IRRAFIAEEG WLLVALDYSQ IELRVLAHLS GDENLIRVFQ EGRDIHTETA DATA SEQUENCE SWMFGVPREA VDPLMRRAAK TINFGVLYGM SAHRLSQELA IPYEEAQAFI DATA SEQUENCE ERYFQSFPKV RAWIEKTLEE GRRRGYVETL FGRRRYVPDL EARVKSVREA DATA SEQUENCE AERMAFNMPV QGTAADLMKL AMVKLFPRLE EMGARMLLQV HDELVLEAPK DATA SEQUENCE ERAEAVARLA KEVMEGVYPL AVPLEVEVGI GEDWLSAKE 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 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L C 0.000 176.856 176.870 -0.024 0.000 1.165 294 L CA 0.000 54.834 54.840 -0.009 0.000 0.813 294 L CB 0.000 42.056 42.059 -0.004 0.000 0.961 295 E N 2.828 123.009 120.200 -0.031 0.000 2.415 295 E HA 0.055 4.398 4.350 -0.012 0.000 0.263 295 E C -0.711 175.840 176.600 -0.081 0.000 0.995 295 E CA -0.229 56.144 56.400 -0.044 0.000 0.915 295 E CB 0.750 30.427 29.700 -0.038 0.000 0.951 295 E HN 0.339 nan 8.360 nan 0.000 0.449 296 E N 2.576 122.735 120.200 -0.069 0.000 2.180 296 E HA 0.291 4.634 4.350 -0.012 0.000 0.283 296 E C -0.748 175.785 176.600 -0.112 0.000 1.061 296 E CA -0.240 56.109 56.400 -0.085 0.000 0.861 296 E CB 1.443 31.120 29.700 -0.038 0.000 1.056 296 E HN 0.466 nan 8.360 nan 0.000 0.407 297 A N 5.004 127.688 122.820 -0.227 0.000 2.337 297 A HA 0.659 4.972 4.320 -0.012 0.000 0.331 297 A C -2.449 175.118 177.584 -0.028 0.000 1.137 297 A CA -1.749 50.165 52.037 -0.204 0.000 0.807 297 A CB 0.887 19.614 19.000 -0.455 0.000 1.250 297 A HN 0.295 nan 8.150 nan 0.000 0.468 298 P HA 0.050 nan 4.420 nan 0.000 0.271 298 P C -0.319 177.169 177.300 0.314 0.000 1.218 298 P CA -0.219 62.990 63.100 0.181 0.000 0.780 298 P CB 0.438 32.213 31.700 0.125 0.000 0.901 299 W N 4.902 126.278 121.300 0.127 0.000 2.158 299 W HA 0.142 4.795 4.660 -0.012 0.000 0.339 299 W C -2.071 174.476 176.519 0.047 0.000 1.294 299 W CA -0.866 56.538 57.345 0.097 0.000 1.231 299 W CB 0.230 29.725 29.460 0.058 0.000 1.143 299 W HN 0.378 nan 8.180 nan 0.000 0.571 300 P HA 0.444 nan 4.420 nan 0.000 0.284 300 P C -2.658 174.038 177.300 -1.007 0.000 1.287 300 P CA -1.366 60.928 63.100 -1.343 0.000 0.824 300 P CB 1.034 32.163 31.700 -0.951 0.000 1.180 301 P HA 0.369 nan 4.420 nan 0.000 0.278 301 P C -2.474 174.403 177.300 -0.704 0.000 1.266 301 P CA -1.635 60.687 63.100 -1.297 0.000 0.807 301 P CB -0.873 30.218 31.700 -1.015 0.000 1.094 302 P HA 0.236 nan 4.420 nan 0.000 0.276 302 P C -0.214 176.927 177.300 -0.264 0.000 1.261 302 P CA -0.450 62.476 63.100 -0.290 0.000 0.800 302 P CB 0.304 31.898 31.700 -0.178 0.000 1.066 303 E N -0.238 119.840 120.200 -0.203 0.000 2.452 303 E HA 0.233 4.576 4.350 -0.012 0.000 0.261 303 E C 0.926 177.403 176.600 -0.205 0.000 0.987 303 E CA 0.923 57.209 56.400 -0.190 0.000 0.926 303 E CB -0.622 28.990 29.700 -0.146 0.000 0.934 303 E HN 0.773 nan 8.360 nan 0.000 0.452 304 G N 2.248 110.901 108.800 -0.245 0.000 2.176 304 G HA2 -0.286 3.667 3.960 -0.012 0.000 0.253 304 G HA3 -0.286 3.667 3.960 -0.012 0.000 0.253 304 G C 0.253 174.893 174.900 -0.434 0.000 0.979 304 G CA 0.025 44.931 45.100 -0.323 0.000 0.641 304 G HN 0.863 nan 8.290 nan 0.000 0.530 305 A N -0.267 122.357 122.820 -0.327 0.000 2.386 305 A HA 0.679 4.992 4.320 -0.012 0.000 0.248 305 A C 0.072 177.473 177.584 -0.305 0.000 1.082 305 A CA -0.044 51.842 52.037 -0.251 0.000 0.789 305 A CB 0.213 19.105 19.000 -0.180 0.000 1.025 305 A HN 0.656 nan 8.150 nan 0.000 0.490 306 F N 1.131 121.053 119.950 -0.048 0.000 2.410 306 F HA 0.403 4.923 4.527 -0.012 0.000 0.348 306 F C 0.805 176.641 175.800 0.060 0.000 1.106 306 F CA -0.212 57.780 58.000 -0.014 0.000 1.163 306 F CB 1.224 40.221 39.000 -0.005 0.000 1.129 306 F HN 0.480 nan 8.300 nan 0.000 0.516 307 V N 0.764 120.827 119.914 0.248 0.000 2.743 307 V HA 0.955 5.068 4.120 -0.012 0.000 0.301 307 V C 0.114 176.401 176.094 0.322 0.000 1.057 307 V CA -0.604 61.859 62.300 0.272 0.000 1.006 307 V CB 1.062 33.031 31.823 0.243 0.000 1.024 307 V HN 0.866 nan 8.190 nan 0.000 0.473 308 G N 2.841 111.822 108.800 0.302 0.000 2.571 308 G HA2 0.848 4.801 3.960 -0.012 0.000 0.304 308 G HA3 0.848 4.801 3.960 -0.012 0.000 0.304 308 G C -1.382 173.681 174.900 0.271 0.000 1.314 308 G CA -0.675 44.556 45.100 0.219 0.000 0.975 308 G HN 1.542 nan 8.290 nan 0.000 0.485 309 F N -0.448 119.524 119.950 0.038 0.000 2.665 309 F HA 0.730 5.249 4.527 -0.012 0.000 0.308 309 F C -1.535 174.255 175.800 -0.016 0.000 1.112 309 F CA -1.487 56.510 58.000 -0.006 0.000 0.972 309 F CB 1.505 40.505 39.000 0.001 0.000 1.295 309 F HN 0.430 nan 8.300 nan 0.000 0.440 310 V N 3.781 123.724 119.914 0.047 0.000 2.487 310 V HA 0.557 4.670 4.120 -0.012 0.000 0.298 310 V C -0.350 175.795 176.094 0.086 0.000 1.028 310 V CA -0.685 61.594 62.300 -0.034 0.000 0.860 310 V CB 1.624 33.396 31.823 -0.085 0.000 0.991 310 V HN 0.792 nan 8.190 nan 0.000 0.427 311 L N 3.258 124.547 121.223 0.111 0.000 2.331 311 L HA 0.441 4.774 4.340 -0.012 0.000 0.275 311 L C 1.527 178.450 176.870 0.089 0.000 1.022 311 L CA -0.396 54.526 54.840 0.136 0.000 0.812 311 L CB 2.116 44.297 42.059 0.204 0.000 1.257 311 L HN 0.789 nan 8.230 nan 0.000 0.435 312 S N 1.411 117.164 115.700 0.089 0.000 2.447 312 S HA -0.025 4.438 4.470 -0.012 0.000 0.233 312 S C 0.599 175.246 174.600 0.078 0.000 1.006 312 S CA 0.174 58.418 58.200 0.073 0.000 0.957 312 S CB -0.113 63.136 63.200 0.081 0.000 0.773 312 S HN 0.795 nan 8.310 nan 0.000 0.507 313 R N 0.066 120.628 120.500 0.103 0.000 2.716 313 R HA 0.414 4.747 4.340 -0.012 0.000 0.271 313 R C 0.147 176.523 176.300 0.126 0.000 1.028 313 R CA -0.821 55.340 56.100 0.101 0.000 0.883 313 R CB 0.666 31.024 30.300 0.098 0.000 1.250 313 R HN 0.088 nan 8.270 nan 0.000 0.465 314 K N 0.169 120.637 120.400 0.113 0.000 2.211 314 K HA -0.018 4.295 4.320 -0.012 0.000 0.203 314 K C -0.501 176.184 176.600 0.141 0.000 1.050 314 K CA 1.082 57.442 56.287 0.121 0.000 0.945 314 K CB -0.025 32.529 32.500 0.090 0.000 0.732 314 K HN 0.524 nan 8.250 nan 0.000 0.451 315 E N 2.899 123.197 120.200 0.162 0.000 2.129 315 E HA 0.063 4.406 4.350 -0.012 0.000 0.283 315 E C -1.893 174.827 176.600 0.200 0.000 1.080 315 E CA -2.117 54.405 56.400 0.203 0.000 0.867 315 E CB 1.228 31.114 29.700 0.311 0.000 1.056 315 E HN 0.109 nan 8.360 nan 0.000 0.404 316 P HA -0.184 nan 4.420 nan 0.000 0.218 316 P C 0.945 178.247 177.300 0.004 0.000 1.149 316 P CA 1.127 64.270 63.100 0.072 0.000 0.817 316 P CB 0.224 31.940 31.700 0.028 0.000 0.785 317 M N -2.799 116.765 119.600 -0.060 0.000 2.460 317 M HA -0.057 4.416 4.480 -0.012 0.000 0.263 317 M C 1.233 177.344 176.300 -0.315 0.000 1.071 317 M CA 1.221 56.332 55.300 -0.316 0.000 1.096 317 M CB -1.247 31.026 32.600 -0.545 0.000 1.408 317 M HN 0.086 nan 8.290 nan 0.000 0.463 318 W N -0.429 120.923 121.300 0.087 0.000 2.998 318 W HA 0.433 5.086 4.660 -0.012 0.000 0.336 318 W C 0.795 177.361 176.519 0.077 0.000 1.112 318 W CA -0.315 57.087 57.345 0.095 0.000 1.682 318 W CB 0.191 29.691 29.460 0.067 0.000 1.065 318 W HN -0.044 nan 8.180 nan 0.000 0.570 319 A N 1.004 123.974 122.820 0.249 0.000 2.340 319 A HA 0.295 4.608 4.320 -0.012 0.000 0.268 319 A C -0.549 177.141 177.584 0.176 0.000 1.100 319 A CA -0.160 51.994 52.037 0.195 0.000 0.803 319 A CB 0.264 19.363 19.000 0.164 0.000 1.043 319 A HN 0.008 nan 8.150 nan 0.000 0.488 320 D N 1.083 121.583 120.400 0.167 0.000 2.264 320 D HA 0.318 4.951 4.640 -0.012 0.000 0.250 320 D C -0.659 175.702 176.300 0.101 0.000 1.113 320 D CA -0.234 53.883 54.000 0.194 0.000 0.871 320 D CB 0.885 41.785 40.800 0.167 0.000 1.167 320 D HN 0.282 nan 8.370 nan 0.000 0.447 321 L N 5.485 126.690 121.223 -0.030 0.000 2.363 321 L HA 0.178 4.511 4.340 -0.012 0.000 0.286 321 L C 0.603 177.364 176.870 -0.182 0.000 1.106 321 L CA 0.179 54.875 54.840 -0.241 0.000 0.859 321 L CB 0.085 41.738 42.059 -0.675 0.000 1.223 321 L HN 0.583 nan 8.230 nan 0.000 0.446 322 L N 4.538 125.729 121.223 -0.053 0.000 2.131 322 L HA 0.275 4.608 4.340 -0.012 0.000 0.206 322 L C 0.917 177.749 176.870 -0.063 0.000 1.087 322 L CA 0.737 55.558 54.840 -0.031 0.000 0.767 322 L CB -0.424 41.630 42.059 -0.007 0.000 0.917 322 L HN 0.771 nan 8.230 nan 0.000 0.441 323 A N -0.391 122.388 122.820 -0.069 0.000 2.612 323 A HA 0.694 5.006 4.320 -0.012 0.000 0.293 323 A C -1.913 175.635 177.584 -0.059 0.000 1.075 323 A CA -0.373 51.614 52.037 -0.082 0.000 0.680 323 A CB 1.953 20.914 19.000 -0.065 0.000 1.279 323 A HN -0.050 nan 8.150 nan 0.000 0.411 324 L N 0.365 121.523 121.223 -0.107 0.000 2.472 324 L HA 0.946 5.279 4.340 -0.012 0.000 0.260 324 L C -0.325 176.503 176.870 -0.070 0.000 0.963 324 L CA 0.497 55.295 54.840 -0.070 0.000 0.829 324 L CB 1.889 43.832 42.059 -0.193 0.000 1.348 324 L HN 1.887 nan 8.230 nan 0.000 0.408 325 A N 2.905 125.810 122.820 0.142 0.000 2.588 325 A HA 1.062 5.375 4.320 -0.012 0.000 0.290 325 A C -1.674 176.177 177.584 0.445 0.000 1.136 325 A CA -0.067 52.158 52.037 0.313 0.000 0.681 325 A CB 1.549 20.659 19.000 0.183 0.000 1.282 325 A HN 1.595 nan 8.150 nan 0.000 0.421 326 A N -0.923 122.170 122.820 0.454 0.000 2.587 326 A HA 1.010 5.323 4.320 -0.012 0.000 0.293 326 A C -0.624 177.135 177.584 0.292 0.000 1.087 326 A CA -0.016 52.198 52.037 0.295 0.000 0.692 326 A CB 1.285 20.346 19.000 0.101 0.000 1.291 326 A HN 2.618 nan 8.150 nan 0.000 0.407 327 A N 0.707 123.679 122.820 0.255 0.000 2.455 327 A HA 0.938 5.250 4.320 -0.012 0.000 0.300 327 A C -0.501 177.235 177.584 0.255 0.000 1.040 327 A CA -0.462 51.725 52.037 0.250 0.000 0.697 327 A CB 1.461 20.575 19.000 0.190 0.000 1.265 327 A HN 1.278 nan 8.150 nan 0.000 0.407 328 R N 1.066 121.696 120.500 0.216 0.000 2.833 328 R HA 0.451 4.783 4.340 -0.012 0.000 0.259 328 R C 0.366 176.746 176.300 0.134 0.000 1.047 328 R CA 0.371 56.577 56.100 0.177 0.000 0.916 328 R CB 1.015 31.375 30.300 0.099 0.000 1.259 328 R HN 2.463 nan 8.270 nan 0.000 0.482 329 G N 1.117 109.979 108.800 0.103 0.000 2.283 329 G HA2 -0.183 3.770 3.960 -0.012 0.000 0.280 329 G HA3 -0.183 3.770 3.960 -0.012 0.000 0.280 329 G C 0.798 175.731 174.900 0.056 0.000 1.029 329 G CA 1.108 46.251 45.100 0.071 0.000 0.840 329 G HN 1.733 nan 8.290 nan 0.000 0.505 330 G N -2.020 106.813 108.800 0.055 0.000 2.136 330 G HA2 -0.202 3.751 3.960 -0.012 0.000 0.242 330 G HA3 -0.202 3.751 3.960 -0.012 0.000 0.242 330 G C 0.259 175.164 174.900 0.009 0.000 0.989 330 G CA 1.010 46.128 45.100 0.030 0.000 0.682 330 G HN 1.100 nan 8.290 nan 0.000 0.522 331 R N -1.384 119.124 120.500 0.014 0.000 2.854 331 R HA 0.785 5.118 4.340 -0.012 0.000 0.271 331 R C -1.125 175.129 176.300 -0.076 0.000 0.994 331 R CA -0.772 55.280 56.100 -0.080 0.000 0.945 331 R CB 2.844 33.058 30.300 -0.144 0.000 1.194 331 R HN 0.413 nan 8.270 nan 0.000 0.476 332 V N 2.793 122.594 119.914 -0.188 0.000 2.569 332 V HA 0.348 4.461 4.120 -0.012 0.000 0.301 332 V C -1.179 174.830 176.094 -0.140 0.000 1.044 332 V CA -0.514 61.751 62.300 -0.058 0.000 0.874 332 V CB 1.481 33.313 31.823 0.014 0.000 1.002 332 V HN 0.742 nan 8.190 nan 0.000 0.424 333 H N 6.712 125.861 119.070 0.132 0.000 2.541 333 H HA 0.515 5.064 4.556 -0.012 0.000 0.316 333 H C -0.404 175.176 175.328 0.420 0.000 1.043 333 H CA -0.634 55.548 56.048 0.222 0.000 1.232 333 H CB 1.401 31.223 29.762 0.099 0.000 1.406 333 H HN 0.505 nan 8.280 nan 0.000 0.469 334 R N 1.704 122.440 120.500 0.393 0.000 2.294 334 R HA 0.435 4.768 4.340 -0.012 0.000 0.319 334 R C -0.268 176.089 176.300 0.094 0.000 0.984 334 R CA -0.789 55.446 56.100 0.225 0.000 0.861 334 R CB 1.634 31.987 30.300 0.089 0.000 1.104 334 R HN 0.615 nan 8.270 nan 0.000 0.451 335 A N 5.149 127.774 122.820 -0.325 0.000 2.451 335 A HA 0.244 4.557 4.320 -0.012 0.000 0.266 335 A C -1.547 175.807 177.584 -0.383 0.000 1.119 335 A CA -1.252 50.294 52.037 -0.819 0.000 0.786 335 A CB 0.227 18.385 19.000 -1.403 0.000 1.061 335 A HN 0.547 nan 8.150 nan 0.000 0.503 336 P HA -0.109 nan 4.420 nan 0.000 0.215 336 P C 0.274 177.491 177.300 -0.138 0.000 1.153 336 P CA 1.239 64.260 63.100 -0.131 0.000 0.853 336 P CB 0.386 32.044 31.700 -0.070 0.000 0.788 337 E N -1.793 118.296 120.200 -0.184 0.000 2.283 337 E HA 0.166 4.509 4.350 -0.012 0.000 0.258 337 E C -2.227 174.266 176.600 -0.178 0.000 0.893 337 E CA -2.546 53.781 56.400 -0.122 0.000 0.798 337 E CB 1.482 31.153 29.700 -0.049 0.000 1.242 337 E HN -0.118 nan 8.360 nan 0.000 0.414 338 P HA -0.147 nan 4.420 nan 0.000 0.215 338 P C 0.914 178.067 177.300 -0.245 0.000 1.157 338 P CA 1.260 64.187 63.100 -0.288 0.000 0.874 338 P CB 0.059 31.569 31.700 -0.316 0.000 0.790 339 Y N 0.201 120.441 120.300 -0.100 0.000 2.114 339 Y HA -0.177 4.366 4.550 -0.012 0.000 0.284 339 Y C 2.649 178.510 175.900 -0.065 0.000 1.143 339 Y CA 1.624 59.681 58.100 -0.072 0.000 1.135 339 Y CB -0.812 37.616 38.460 -0.052 0.000 0.980 339 Y HN -0.115 nan 8.280 nan 0.000 0.499 340 K N 0.264 120.719 120.400 0.092 0.000 2.097 340 K HA -0.163 4.150 4.320 -0.012 0.000 0.206 340 K C 2.182 178.797 176.600 0.024 0.000 1.049 340 K CA 1.092 57.406 56.287 0.045 0.000 0.933 340 K CB -0.293 32.220 32.500 0.023 0.000 0.717 340 K HN 0.282 nan 8.250 nan 0.000 0.442 341 A N 1.401 124.176 122.820 -0.074 0.000 2.070 341 A HA -0.089 4.224 4.320 -0.012 0.000 0.220 341 A C 2.020 179.679 177.584 0.125 0.000 1.159 341 A CA 0.875 52.868 52.037 -0.074 0.000 0.656 341 A CB -0.460 18.114 19.000 -0.709 0.000 0.800 341 A HN 0.330 nan 8.150 nan 0.000 0.453 342 L N -1.315 119.926 121.223 0.029 0.000 2.127 342 L HA -0.214 4.118 4.340 -0.012 0.000 0.211 342 L C 2.683 179.598 176.870 0.074 0.000 1.089 342 L CA 1.318 56.184 54.840 0.043 0.000 0.757 342 L CB -0.335 41.716 42.059 -0.014 0.000 0.899 342 L HN 0.284 nan 8.230 nan 0.000 0.434 343 R N -0.032 120.517 120.500 0.082 0.000 2.189 343 R HA -0.108 4.225 4.340 -0.012 0.000 0.223 343 R C 1.474 177.818 176.300 0.074 0.000 1.092 343 R CA 0.886 57.025 56.100 0.065 0.000 0.989 343 R CB -0.331 30.004 30.300 0.059 0.000 0.876 343 R HN 0.341 nan 8.270 nan 0.000 0.457 344 D N -0.340 120.142 120.400 0.138 0.000 2.349 344 D HA 0.025 4.658 4.640 -0.012 0.000 0.215 344 D C 0.082 176.391 176.300 0.015 0.000 1.016 344 D CA 0.413 54.470 54.000 0.095 0.000 0.870 344 D CB 0.263 41.175 40.800 0.188 0.000 0.917 344 D HN 0.176 nan 8.370 nan 0.000 0.524 345 L N 0.777 122.025 121.223 0.042 0.000 2.334 345 L HA 0.270 4.603 4.340 -0.012 0.000 0.277 345 L C 1.478 178.323 176.870 -0.042 0.000 1.075 345 L CA -0.498 54.332 54.840 -0.018 0.000 0.804 345 L CB 1.585 43.655 42.059 0.018 0.000 1.174 345 L HN -0.380 nan 8.230 nan 0.000 0.438 346 K N 1.296 121.652 120.400 -0.073 0.000 2.354 346 K HA 0.201 4.514 4.320 -0.012 0.000 0.194 346 K C -0.048 176.506 176.600 -0.078 0.000 1.038 346 K CA 0.340 56.585 56.287 -0.071 0.000 1.052 346 K CB 0.961 33.411 32.500 -0.083 0.000 0.861 346 K HN 0.603 nan 8.250 nan 0.000 0.535 347 E N -0.140 120.005 120.200 -0.091 0.000 2.422 347 E HA 0.289 4.632 4.350 -0.012 0.000 0.289 347 E C -1.920 174.620 176.600 -0.101 0.000 0.985 347 E CA -0.325 56.014 56.400 -0.101 0.000 0.812 347 E CB 1.717 31.342 29.700 -0.126 0.000 1.226 347 E HN 0.025 nan 8.360 nan 0.000 0.419 348 A N 4.661 127.427 122.820 -0.091 0.000 2.415 348 A HA 0.401 4.714 4.320 -0.012 0.000 0.309 348 A C -0.133 177.420 177.584 -0.052 0.000 1.356 348 A CA -0.249 51.748 52.037 -0.068 0.000 0.998 348 A CB 0.023 18.970 19.000 -0.089 0.000 1.145 348 A HN 0.486 nan 8.150 nan 0.000 0.545 349 R N 2.844 123.308 120.500 -0.060 0.000 2.337 349 R HA 0.578 4.911 4.340 -0.012 0.000 0.319 349 R C 0.186 176.541 176.300 0.092 0.000 0.954 349 R CA 0.636 56.680 56.100 -0.093 0.000 0.840 349 R CB 0.888 30.976 30.300 -0.354 0.000 1.164 349 R HN 1.171 nan 8.270 nan 0.000 0.472 350 G N 2.636 111.554 108.800 0.197 0.000 2.356 350 G HA2 0.040 3.993 3.960 -0.012 0.000 0.288 350 G HA3 0.040 3.993 3.960 -0.012 0.000 0.288 350 G C -1.383 173.677 174.900 0.265 0.000 1.302 350 G CA -1.120 44.168 45.100 0.313 0.000 0.887 350 G HN 0.451 nan 8.290 nan 0.000 0.521 351 L N 1.217 122.594 121.223 0.256 0.000 2.540 351 L HA 0.273 4.605 4.340 -0.012 0.000 0.276 351 L C 1.300 178.302 176.870 0.220 0.000 1.212 351 L CA 0.123 55.070 54.840 0.178 0.000 0.893 351 L CB 0.168 42.310 42.059 0.139 0.000 1.138 351 L HN 0.664 nan 8.230 nan 0.000 0.491 352 L N 2.324 123.634 121.223 0.145 0.000 3.717 352 L HA -0.340 3.993 4.340 -0.012 0.000 0.414 352 L C 1.749 178.805 176.870 0.309 0.000 1.228 352 L CA 0.279 55.242 54.840 0.205 0.000 0.918 352 L CB -1.675 40.519 42.059 0.225 0.000 1.865 352 L HN 0.933 nan 8.230 nan 0.000 0.922 353 A N 0.508 123.457 122.820 0.215 0.000 1.927 353 A HA -0.288 4.025 4.320 -0.012 0.000 0.220 353 A C 2.241 179.844 177.584 0.030 0.000 1.185 353 A CA 2.371 54.486 52.037 0.129 0.000 0.639 353 A CB -0.295 18.752 19.000 0.079 0.000 0.820 353 A HN 0.674 nan 8.150 nan 0.000 0.451 354 K N -0.602 119.817 120.400 0.033 0.000 2.063 354 K HA -0.235 4.078 4.320 -0.012 0.000 0.208 354 K C 1.400 177.985 176.600 -0.025 0.000 1.048 354 K CA 1.862 58.139 56.287 -0.016 0.000 0.928 354 K CB -0.280 32.218 32.500 -0.003 0.000 0.713 354 K HN 0.376 nan 8.250 nan 0.000 0.442 355 D N 0.869 121.295 120.400 0.045 0.000 2.104 355 D HA -0.184 4.449 4.640 -0.012 0.000 0.194 355 D C 1.870 178.097 176.300 -0.121 0.000 0.994 355 D CA 0.987 55.017 54.000 0.049 0.000 0.830 355 D CB -0.279 40.659 40.800 0.229 0.000 0.959 355 D HN 0.184 nan 8.370 nan 0.000 0.452 356 L N 0.513 121.523 121.223 -0.355 0.000 2.083 356 L HA -0.122 4.211 4.340 -0.012 0.000 0.209 356 L C 2.246 178.914 176.870 -0.337 0.000 1.083 356 L CA 1.586 56.026 54.840 -0.668 0.000 0.752 356 L CB -0.857 40.579 42.059 -1.037 0.000 0.899 356 L HN -0.078 nan 8.230 nan 0.000 0.433 357 S N -1.561 114.003 115.700 -0.228 0.000 2.382 357 S HA -0.139 4.324 4.470 -0.012 0.000 0.228 357 S C 1.972 176.463 174.600 -0.181 0.000 1.027 357 S CA 1.412 59.499 58.200 -0.187 0.000 0.991 357 S CB -0.352 62.747 63.200 -0.169 0.000 0.823 357 S HN 0.308 nan 8.310 nan 0.000 0.469 358 V N 1.870 121.691 119.914 -0.155 0.000 2.343 358 V HA -0.109 4.004 4.120 -0.012 0.000 0.247 358 V C 2.382 178.391 176.094 -0.143 0.000 1.051 358 V CA 1.878 64.097 62.300 -0.135 0.000 1.036 358 V CB -0.649 31.124 31.823 -0.083 0.000 0.654 358 V HN 0.566 nan 8.190 nan 0.000 0.451 359 L N 0.078 121.216 121.223 -0.142 0.000 2.093 359 L HA -0.089 4.244 4.340 -0.012 0.000 0.208 359 L C 2.457 179.261 176.870 -0.109 0.000 1.085 359 L CA 1.708 56.474 54.840 -0.123 0.000 0.755 359 L CB -0.448 41.535 42.059 -0.127 0.000 0.904 359 L HN 0.280 nan 8.230 nan 0.000 0.435 360 A N -0.065 122.675 122.820 -0.132 0.000 1.873 360 A HA -0.163 4.150 4.320 -0.012 0.000 0.215 360 A C 2.177 179.709 177.584 -0.085 0.000 1.186 360 A CA 1.656 53.633 52.037 -0.099 0.000 0.616 360 A CB -0.836 18.096 19.000 -0.114 0.000 0.823 360 A HN 0.475 nan 8.150 nan 0.000 0.442 361 L N -0.925 120.230 121.223 -0.114 0.000 2.083 361 L HA -0.191 4.142 4.340 -0.012 0.000 0.209 361 L C 2.792 179.604 176.870 -0.096 0.000 1.083 361 L CA 1.641 56.421 54.840 -0.101 0.000 0.752 361 L CB -0.441 41.536 42.059 -0.137 0.000 0.899 361 L HN 0.486 nan 8.230 nan 0.000 0.433 362 R N 0.259 120.681 120.500 -0.129 0.000 2.096 362 R HA -0.155 4.178 4.340 -0.012 0.000 0.235 362 R C 1.473 177.712 176.300 -0.101 0.000 1.127 362 R CA 1.208 57.208 56.100 -0.167 0.000 0.968 362 R CB 0.084 30.255 30.300 -0.214 0.000 0.861 362 R HN 0.283 nan 8.270 nan 0.000 0.440 363 E N -0.597 119.571 120.200 -0.054 0.000 2.476 363 E HA 0.067 4.410 4.350 -0.012 0.000 0.191 363 E C 0.685 177.272 176.600 -0.022 0.000 1.064 363 E CA 0.683 57.071 56.400 -0.020 0.000 0.866 363 E CB 0.675 30.396 29.700 0.035 0.000 0.952 363 E HN 0.608 nan 8.360 nan 0.000 0.492 364 G N 1.306 110.086 108.800 -0.032 0.000 2.147 364 G HA2 -0.278 3.675 3.960 -0.012 0.000 0.244 364 G HA3 -0.278 3.675 3.960 -0.012 0.000 0.244 364 G C 0.085 174.979 174.900 -0.010 0.000 1.005 364 G CA 0.211 45.300 45.100 -0.019 0.000 0.713 364 G HN 0.223 nan 8.290 nan 0.000 0.515 365 L N 0.121 121.334 121.223 -0.018 0.000 2.317 365 L HA 0.684 5.017 4.340 -0.012 0.000 0.281 365 L C 1.048 177.904 176.870 -0.023 0.000 1.024 365 L CA -0.586 54.245 54.840 -0.015 0.000 0.810 365 L CB 2.018 44.068 42.059 -0.016 0.000 1.240 365 L HN 0.133 nan 8.230 nan 0.000 0.427 366 G N 3.366 112.161 108.800 -0.008 0.000 2.807 366 G HA2 0.425 4.378 3.960 -0.012 0.000 0.316 366 G HA3 0.425 4.378 3.960 -0.012 0.000 0.316 366 G C -0.740 174.144 174.900 -0.027 0.000 0.900 366 G CA -0.110 44.989 45.100 -0.002 0.000 1.499 366 G HN 0.344 nan 8.290 nan 0.000 0.484 367 L N 4.851 126.037 121.223 -0.062 0.000 2.387 367 L HA 0.487 4.820 4.340 -0.012 0.000 0.259 367 L C -2.328 174.482 176.870 -0.101 0.000 1.050 367 L CA -2.540 52.256 54.840 -0.075 0.000 0.922 367 L CB 1.683 43.693 42.059 -0.081 0.000 1.280 367 L HN 0.118 nan 8.230 nan 0.000 0.449 368 P HA 0.307 nan 4.420 nan 0.000 0.275 368 P C -2.753 174.487 177.300 -0.099 0.000 1.228 368 P CA -1.423 61.621 63.100 -0.093 0.000 0.786 368 P CB -0.100 31.570 31.700 -0.050 0.000 0.927 369 P HA 0.184 nan 4.420 nan 0.000 0.279 369 P C 0.095 177.346 177.300 -0.083 0.000 1.239 369 P CA 0.275 63.325 63.100 -0.084 0.000 0.789 369 P CB 1.119 32.774 31.700 -0.075 0.000 0.933 370 G N 1.819 110.574 108.800 -0.076 0.000 3.247 370 G HA2 0.208 4.160 3.960 -0.012 0.000 0.163 370 G HA3 0.208 4.160 3.960 -0.012 0.000 0.163 370 G C -0.601 174.279 174.900 -0.034 0.000 1.206 370 G CA -0.393 44.654 45.100 -0.089 0.000 0.918 370 G HN 0.371 nan 8.290 nan 0.000 0.625 371 D N 0.959 121.337 120.400 -0.036 0.000 2.506 371 D HA 0.278 4.911 4.640 -0.012 0.000 0.234 371 D C -0.848 175.565 176.300 0.189 0.000 1.143 371 D CA 0.953 55.032 54.000 0.132 0.000 0.871 371 D CB 1.327 42.056 40.800 -0.118 0.000 1.190 371 D HN 0.246 nan 8.370 nan 0.000 0.459 372 D N 1.546 122.158 120.400 0.354 0.000 2.616 372 D HA 0.209 4.842 4.640 -0.012 0.000 0.238 372 D C -2.238 174.257 176.300 0.325 0.000 1.354 372 D CA -1.910 52.264 54.000 0.289 0.000 0.970 372 D CB 1.998 42.919 40.800 0.201 0.000 1.369 372 D HN -0.136 nan 8.370 nan 0.000 0.585 373 P HA -0.105 nan 4.420 nan 0.000 0.221 373 P C 1.770 179.127 177.300 0.096 0.000 1.145 373 P CA 0.866 64.084 63.100 0.197 0.000 0.795 373 P CB 0.172 31.968 31.700 0.160 0.000 0.775 374 M N -1.484 118.176 119.600 0.101 0.000 2.159 374 M HA -0.091 4.382 4.480 -0.012 0.000 0.263 374 M C 2.069 178.444 176.300 0.124 0.000 1.063 374 M CA 1.585 56.924 55.300 0.066 0.000 1.110 374 M CB -1.525 31.084 32.600 0.016 0.000 1.374 374 M HN 0.037 nan 8.290 nan 0.000 0.411 375 L N -0.614 120.721 121.223 0.187 0.000 2.093 375 L HA -0.189 4.143 4.340 -0.012 0.000 0.208 375 L C 2.404 179.419 176.870 0.242 0.000 1.085 375 L CA 0.795 55.803 54.840 0.280 0.000 0.755 375 L CB -0.670 41.631 42.059 0.403 0.000 0.904 375 L HN 0.264 nan 8.230 nan 0.000 0.435 376 L N -0.267 121.005 121.223 0.083 0.000 2.027 376 L HA -0.169 4.164 4.340 -0.012 0.000 0.206 376 L C 2.897 179.703 176.870 -0.107 0.000 1.074 376 L CA 1.207 55.971 54.840 -0.128 0.000 0.745 376 L CB -0.743 41.167 42.059 -0.249 0.000 0.898 376 L HN 0.230 nan 8.230 nan 0.000 0.433 377 A N -0.847 121.917 122.820 -0.093 0.000 1.930 377 A HA -0.269 4.044 4.320 -0.012 0.000 0.217 377 A C 2.187 179.806 177.584 0.058 0.000 1.175 377 A CA 1.346 53.311 52.037 -0.120 0.000 0.627 377 A CB -0.799 18.155 19.000 -0.077 0.000 0.815 377 A HN 0.473 nan 8.150 nan 0.000 0.443 378 Y N 0.407 120.710 120.300 0.004 0.000 2.242 378 Y HA -0.076 4.467 4.550 -0.012 0.000 0.291 378 Y C 1.859 177.788 175.900 0.049 0.000 1.137 378 Y CA 1.510 59.635 58.100 0.042 0.000 1.181 378 Y CB -0.242 38.251 38.460 0.056 0.000 0.989 378 Y HN 0.213 nan 8.280 nan 0.000 0.527 379 L N -0.777 120.455 121.223 0.014 0.000 2.056 379 L HA -0.220 4.113 4.340 -0.012 0.000 0.207 379 L C 2.411 179.232 176.870 -0.081 0.000 1.078 379 L CA 1.070 55.874 54.840 -0.059 0.000 0.749 379 L CB -0.583 41.500 42.059 0.041 0.000 0.901 379 L HN 0.248 nan 8.230 nan 0.000 0.433 380 L N -0.958 120.227 121.223 -0.064 0.000 2.083 380 L HA -0.117 4.216 4.340 -0.012 0.000 0.209 380 L C 0.255 177.147 176.870 0.036 0.000 1.083 380 L CA 0.931 55.746 54.840 -0.041 0.000 0.752 380 L CB 0.001 42.016 42.059 -0.074 0.000 0.899 380 L HN 0.285 nan 8.230 nan 0.000 0.433 381 D N -2.059 118.350 120.400 0.016 0.000 2.484 381 D HA 0.094 4.726 4.640 -0.012 0.000 0.206 381 D C -2.302 173.996 176.300 -0.004 0.000 1.322 381 D CA -1.169 52.871 54.000 0.067 0.000 0.913 381 D CB 1.439 42.258 40.800 0.033 0.000 1.559 381 D HN -0.252 nan 8.370 nan 0.000 0.565 382 P HA -0.027 nan 4.420 nan 0.000 0.242 382 P C 0.941 178.313 177.300 0.119 0.000 1.197 382 P CA 0.347 63.315 63.100 -0.219 0.000 0.765 382 P CB 0.040 31.514 31.700 -0.378 0.000 0.936 383 S N -1.778 113.982 115.700 0.101 0.000 2.561 383 S HA 0.010 4.473 4.470 -0.012 0.000 0.225 383 S C 1.007 175.680 174.600 0.121 0.000 0.977 383 S CA -0.111 58.153 58.200 0.106 0.000 0.926 383 S CB -1.007 62.233 63.200 0.066 0.000 0.769 383 S HN 0.007 nan 8.310 nan 0.000 0.533 384 N N 3.116 121.913 118.700 0.161 0.000 2.508 384 N HA 0.144 4.877 4.740 -0.012 0.000 0.253 384 N C 0.700 176.326 175.510 0.195 0.000 1.145 384 N CA 0.629 53.783 53.050 0.172 0.000 0.973 384 N CB 1.178 39.790 38.487 0.207 0.000 1.305 384 N HN 0.680 nan 8.380 nan 0.000 0.506 385 T N -3.321 111.297 114.554 0.107 0.000 2.959 385 T HA 0.056 4.399 4.350 -0.012 0.000 0.254 385 T C 0.857 175.539 174.700 -0.030 0.000 1.003 385 T CA -0.063 62.067 62.100 0.050 0.000 0.950 385 T CB 0.237 69.137 68.868 0.054 0.000 1.090 385 T HN 0.349 nan 8.240 nan 0.000 0.503 386 T N -0.267 114.260 114.554 -0.045 0.000 2.893 386 T HA 0.567 4.910 4.350 -0.012 0.000 0.291 386 T C -2.391 172.187 174.700 -0.203 0.000 1.028 386 T CA -1.900 60.123 62.100 -0.129 0.000 0.995 386 T CB 2.457 71.264 68.868 -0.102 0.000 1.051 386 T HN -0.246 nan 8.240 nan 0.000 0.470 387 P HA -0.004 nan 4.420 nan 0.000 0.221 387 P C 0.920 177.977 177.300 -0.405 0.000 1.150 387 P CA 0.899 63.632 63.100 -0.612 0.000 0.800 387 P CB 0.302 31.100 31.700 -1.504 0.000 0.787 388 E N 0.334 120.345 120.200 -0.315 0.000 2.031 388 E HA -0.110 4.233 4.350 -0.012 0.000 0.193 388 E C 2.394 178.994 176.600 -0.000 0.000 0.994 388 E CA 1.904 58.283 56.400 -0.035 0.000 0.800 388 E CB -1.293 28.415 29.700 0.014 0.000 0.752 388 E HN 0.270 nan 8.360 nan 0.000 0.447 389 G N 0.036 108.819 108.800 -0.028 0.000 2.394 389 G HA2 -0.192 3.761 3.960 -0.012 0.000 0.214 389 G HA3 -0.192 3.761 3.960 -0.012 0.000 0.214 389 G C 1.749 176.654 174.900 0.008 0.000 1.176 389 G CA 0.722 45.816 45.100 -0.010 0.000 0.786 389 G HN 0.164 nan 8.290 nan 0.000 0.533 390 V N 1.721 121.661 119.914 0.043 0.000 2.332 390 V HA -0.180 3.933 4.120 -0.012 0.000 0.248 390 V C 3.337 179.539 176.094 0.181 0.000 1.055 390 V CA 2.112 64.516 62.300 0.174 0.000 1.038 390 V CB -0.868 31.036 31.823 0.136 0.000 0.651 390 V HN 0.477 nan 8.190 nan 0.000 0.450 391 A N -0.137 122.745 122.820 0.104 0.000 1.858 391 A HA -0.270 4.043 4.320 -0.012 0.000 0.216 391 A C 2.308 179.937 177.584 0.075 0.000 1.190 391 A CA 2.178 54.291 52.037 0.125 0.000 0.617 391 A CB -0.570 18.535 19.000 0.174 0.000 0.827 391 A HN 0.434 nan 8.150 nan 0.000 0.443 392 R N -0.705 119.816 120.500 0.035 0.000 2.105 392 R HA -0.093 4.240 4.340 -0.012 0.000 0.239 392 R C 2.380 178.629 176.300 -0.085 0.000 1.135 392 R CA 1.918 58.011 56.100 -0.011 0.000 0.967 392 R CB -0.341 29.948 30.300 -0.019 0.000 0.861 392 R HN 0.609 nan 8.270 nan 0.000 0.442 393 R N -1.658 118.737 120.500 -0.174 0.000 2.127 393 R HA -0.054 4.279 4.340 -0.012 0.000 0.217 393 R C 0.536 176.499 176.300 -0.561 0.000 1.074 393 R CA 1.152 56.979 56.100 -0.455 0.000 0.991 393 R CB 0.208 30.071 30.300 -0.728 0.000 0.895 393 R HN 0.252 nan 8.270 nan 0.000 0.450 394 Y N -1.525 118.770 120.300 -0.008 0.000 2.682 394 Y HA 0.397 4.940 4.550 -0.012 0.000 0.251 394 Y C 0.437 176.335 175.900 -0.002 0.000 1.172 394 Y CA 0.036 58.130 58.100 -0.011 0.000 1.186 394 Y CB 1.833 40.284 38.460 -0.014 0.000 1.216 394 Y HN 0.229 nan 8.280 nan 0.000 0.540 395 G N -0.497 108.356 108.800 0.089 0.000 2.245 395 G HA2 0.284 4.237 3.960 -0.012 0.000 0.116 395 G HA3 0.284 4.237 3.960 -0.012 0.000 0.116 395 G C 0.087 175.021 174.900 0.057 0.000 1.054 395 G CA -0.246 44.890 45.100 0.060 0.000 0.728 395 G HN 0.785 nan 8.290 nan 0.000 0.483 396 G N -0.964 107.872 108.800 0.060 0.000 2.428 396 G HA2 0.702 4.654 3.960 -0.012 0.000 0.305 396 G HA3 0.702 4.654 3.960 -0.012 0.000 0.305 396 G C -1.584 173.360 174.900 0.075 0.000 1.260 396 G CA 0.342 45.480 45.100 0.064 0.000 0.853 396 G HN 0.762 nan 8.290 nan 0.000 0.480 397 E N -0.266 119.987 120.200 0.089 0.000 2.278 397 E HA 0.277 4.620 4.350 -0.012 0.000 0.272 397 E C -1.449 175.243 176.600 0.153 0.000 0.890 397 E CA -0.896 55.566 56.400 0.104 0.000 0.770 397 E CB 1.902 31.633 29.700 0.051 0.000 1.212 397 E HN 0.589 nan 8.360 nan 0.000 0.415 398 W N 7.732 129.027 121.300 -0.008 0.000 2.481 398 W HA 0.151 4.804 4.660 -0.011 0.000 0.320 398 W C -0.438 176.067 176.519 -0.024 0.000 1.209 398 W CA 0.013 57.348 57.345 -0.017 0.000 1.400 398 W CB 0.690 30.141 29.460 -0.015 0.000 1.361 398 W HN 0.688 nan 8.180 nan 0.000 0.456 399 T N 1.496 115.778 114.554 -0.453 0.000 2.906 399 T HA 0.315 4.658 4.350 -0.012 0.000 0.283 399 T C 0.236 174.573 174.700 -0.606 0.000 1.098 399 T CA -0.363 61.504 62.100 -0.389 0.000 0.960 399 T CB 1.480 70.206 68.868 -0.236 0.000 1.776 399 T HN 0.353 nan 8.240 nan 0.000 0.594 400 E N 0.489 120.464 120.200 -0.375 0.000 2.869 400 E HA 0.298 4.641 4.350 -0.012 0.000 0.207 400 E C -0.531 175.915 176.600 -0.256 0.000 0.986 400 E CA -0.167 56.035 56.400 -0.332 0.000 1.131 400 E CB 0.593 30.178 29.700 -0.192 0.000 1.098 400 E HN 0.564 nan 8.360 nan 0.000 0.459 401 E N 0.336 120.369 120.200 -0.277 0.000 2.224 401 E HA 0.463 4.806 4.350 -0.012 0.000 0.265 401 E C 0.275 176.762 176.600 -0.189 0.000 0.878 401 E CA -0.353 55.937 56.400 -0.184 0.000 0.759 401 E CB 1.940 31.561 29.700 -0.132 0.000 1.164 401 E HN 0.021 nan 8.360 nan 0.000 0.414 402 A N 3.937 126.680 122.820 -0.128 0.000 1.865 402 A HA -0.129 4.184 4.320 -0.012 0.000 0.217 402 A C 1.846 179.412 177.584 -0.030 0.000 1.191 402 A CA 2.123 54.111 52.037 -0.082 0.000 0.623 402 A CB -0.992 17.993 19.000 -0.024 0.000 0.826 402 A HN 0.726 nan 8.150 nan 0.000 0.444 403 G N -0.577 108.217 108.800 -0.009 0.000 2.469 403 G HA2 -0.260 3.693 3.960 -0.012 0.000 0.219 403 G HA3 -0.260 3.693 3.960 -0.012 0.000 0.219 403 G C 1.441 176.345 174.900 0.006 0.000 1.150 403 G CA 1.139 46.255 45.100 0.027 0.000 0.763 403 G HN 0.678 nan 8.290 nan 0.000 0.561 404 E N -0.146 120.028 120.200 -0.044 0.000 2.152 404 E HA -0.005 4.338 4.350 -0.012 0.000 0.192 404 E C 2.741 179.306 176.600 -0.059 0.000 0.983 404 E CA 0.182 56.550 56.400 -0.053 0.000 0.818 404 E CB -0.036 29.612 29.700 -0.087 0.000 0.758 404 E HN 0.342 nan 8.360 nan 0.000 0.467 405 R N 0.392 120.822 120.500 -0.116 0.000 2.148 405 R HA -0.036 4.296 4.340 -0.012 0.000 0.227 405 R C 2.244 178.580 176.300 0.060 0.000 1.103 405 R CA 0.936 56.981 56.100 -0.092 0.000 0.983 405 R CB -0.117 30.019 30.300 -0.274 0.000 0.874 405 R HN 0.081 nan 8.270 nan 0.000 0.451 406 A N 1.163 124.028 122.820 0.074 0.000 1.872 406 A HA -0.026 4.287 4.320 -0.012 0.000 0.214 406 A C 2.346 179.995 177.584 0.110 0.000 1.187 406 A CA 1.418 53.541 52.037 0.145 0.000 0.614 406 A CB -0.565 18.539 19.000 0.175 0.000 0.826 406 A HN 0.349 nan 8.150 nan 0.000 0.442 407 A N -0.459 122.401 122.820 0.068 0.000 1.933 407 A HA -0.032 4.281 4.320 -0.012 0.000 0.218 407 A C 2.137 179.726 177.584 0.008 0.000 1.175 407 A CA 1.717 53.776 52.037 0.035 0.000 0.628 407 A CB -0.618 18.398 19.000 0.026 0.000 0.814 407 A HN 0.707 nan 8.150 nan 0.000 0.444 408 L N -0.039 121.204 121.223 0.034 0.000 2.046 408 L HA -0.095 4.238 4.340 -0.012 0.000 0.208 408 L C 2.452 179.345 176.870 0.038 0.000 1.077 408 L CA 2.527 57.400 54.840 0.055 0.000 0.747 408 L CB -0.593 41.535 42.059 0.115 0.000 0.896 408 L HN 0.276 nan 8.230 nan 0.000 0.432 409 S N -0.561 115.170 115.700 0.051 0.000 2.370 409 S HA -0.250 4.213 4.470 -0.012 0.000 0.226 409 S C 1.870 176.276 174.600 -0.323 0.000 1.033 409 S CA 1.533 59.740 58.200 0.012 0.000 1.011 409 S CB -0.356 62.937 63.200 0.155 0.000 0.852 409 S HN 0.626 nan 8.310 nan 0.000 0.457 410 E N 1.071 120.983 120.200 -0.479 0.000 2.047 410 E HA -0.132 4.211 4.350 -0.012 0.000 0.191 410 E C 2.280 178.621 176.600 -0.431 0.000 0.987 410 E CA 0.796 56.638 56.400 -0.930 0.000 0.799 410 E CB 0.021 29.471 29.700 -0.416 0.000 0.752 410 E HN 0.377 nan 8.360 nan 0.000 0.449 411 R N 0.097 120.490 120.500 -0.178 0.000 2.073 411 R HA -0.035 4.298 4.340 -0.012 0.000 0.229 411 R C 2.631 178.915 176.300 -0.028 0.000 1.120 411 R CA 0.944 57.005 56.100 -0.065 0.000 0.967 411 R CB -0.255 30.035 30.300 -0.016 0.000 0.862 411 R HN 0.277 nan 8.270 nan 0.000 0.436 412 L N -0.213 121.003 121.223 -0.012 0.000 2.046 412 L HA -0.189 4.144 4.340 -0.012 0.000 0.208 412 L C 2.367 179.242 176.870 0.009 0.000 1.077 412 L CA 1.228 56.084 54.840 0.028 0.000 0.747 412 L CB -0.463 41.635 42.059 0.064 0.000 0.896 412 L HN 0.119 nan 8.230 nan 0.000 0.432 413 F N 0.941 120.802 119.950 -0.148 0.000 2.102 413 F HA -0.239 4.281 4.527 -0.012 0.000 0.298 413 F C 2.488 178.280 175.800 -0.013 0.000 1.105 413 F CA 1.311 59.257 58.000 -0.090 0.000 1.239 413 F CB -0.282 38.628 39.000 -0.149 0.000 0.991 413 F HN 0.001 nan 8.300 nan 0.000 0.474 414 A N 0.288 123.134 122.820 0.044 0.000 1.873 414 A HA -0.306 4.007 4.320 -0.012 0.000 0.218 414 A C 2.100 179.679 177.584 -0.010 0.000 1.193 414 A CA 2.211 54.270 52.037 0.037 0.000 0.629 414 A CB -1.275 17.759 19.000 0.057 0.000 0.826 414 A HN 0.531 nan 8.150 nan 0.000 0.447 415 N N -0.212 118.476 118.700 -0.020 0.000 2.106 415 N HA -0.040 4.692 4.740 -0.012 0.000 0.188 415 N C 1.572 177.033 175.510 -0.081 0.000 1.029 415 N CA 1.482 54.523 53.050 -0.015 0.000 0.848 415 N CB -0.410 38.097 38.487 0.033 0.000 1.007 415 N HN 0.454 nan 8.380 nan 0.000 0.423 416 L N -0.817 120.305 121.223 -0.169 0.000 2.141 416 L HA -0.105 4.228 4.340 -0.012 0.000 0.209 416 L C 2.275 178.988 176.870 -0.262 0.000 1.094 416 L CA 0.603 55.268 54.840 -0.291 0.000 0.763 416 L CB -0.332 41.505 42.059 -0.370 0.000 0.908 416 L HN 0.398 nan 8.230 nan 0.000 0.437 417 W N 0.852 121.848 121.300 -0.508 0.000 2.402 417 W HA -0.129 4.524 4.660 -0.012 0.000 0.286 417 W C 1.949 178.306 176.519 -0.269 0.000 1.221 417 W CA 1.331 58.378 57.345 -0.497 0.000 1.257 417 W CB -0.056 29.011 29.460 -0.655 0.000 1.120 417 W HN 0.212 nan 8.180 nan 0.000 0.551 418 G N 0.872 109.602 108.800 -0.117 0.000 2.402 418 G HA2 -0.259 3.694 3.960 -0.012 0.000 0.216 418 G HA3 -0.259 3.694 3.960 -0.012 0.000 0.216 418 G C 1.525 176.318 174.900 -0.177 0.000 1.162 418 G CA 0.484 45.508 45.100 -0.125 0.000 0.777 418 G HN 0.044 nan 8.290 nan 0.000 0.539 419 R N 0.054 120.450 120.500 -0.174 0.000 2.148 419 R HA 0.148 4.481 4.340 -0.012 0.000 0.227 419 R C 2.212 178.387 176.300 -0.210 0.000 1.103 419 R CA 0.324 56.331 56.100 -0.154 0.000 0.983 419 R CB -0.741 29.477 30.300 -0.136 0.000 0.874 419 R HN 0.375 nan 8.270 nan 0.000 0.451 420 L N 0.746 121.773 121.223 -0.327 0.000 2.592 420 L HA 0.136 4.469 4.340 -0.012 0.000 0.227 420 L C 0.562 177.186 176.870 -0.410 0.000 1.127 420 L CA -0.045 54.574 54.840 -0.369 0.000 0.884 420 L CB 0.011 41.784 42.059 -0.477 0.000 1.065 420 L HN 0.134 nan 8.230 nan 0.000 0.457 421 E N -0.047 119.915 120.200 -0.397 0.000 2.299 421 E HA 0.237 4.580 4.350 -0.012 0.000 0.272 421 E C 1.028 177.517 176.600 -0.185 0.000 1.043 421 E CA 0.774 56.980 56.400 -0.325 0.000 0.895 421 E CB 0.510 30.053 29.700 -0.262 0.000 1.011 421 E HN 0.314 nan 8.360 nan 0.000 0.432 422 G N 4.337 113.051 108.800 -0.145 0.000 2.284 422 G HA2 -0.233 3.720 3.960 -0.012 0.000 0.230 422 G HA3 -0.233 3.720 3.960 -0.012 0.000 0.230 422 G C 0.041 174.899 174.900 -0.069 0.000 1.021 422 G CA -0.112 44.939 45.100 -0.082 0.000 0.619 422 G HN 0.593 nan 8.290 nan 0.000 0.510 423 E N 1.714 121.853 120.200 -0.101 0.000 1.852 423 E HA 0.232 4.575 4.350 -0.012 0.000 0.276 423 E C 1.096 177.668 176.600 -0.047 0.000 1.163 423 E CA -0.202 56.153 56.400 -0.074 0.000 1.117 423 E CB 0.571 30.209 29.700 -0.103 0.000 1.124 423 E HN 0.479 nan 8.360 nan 0.000 0.458 424 E N 1.116 121.310 120.200 -0.009 0.000 2.106 424 E HA -0.131 4.212 4.350 -0.012 0.000 0.192 424 E C 1.614 178.276 176.600 0.103 0.000 0.984 424 E CA 0.797 57.219 56.400 0.037 0.000 0.806 424 E CB 0.113 29.837 29.700 0.041 0.000 0.750 424 E HN 0.362 nan 8.360 nan 0.000 0.458 425 R N 0.082 120.631 120.500 0.081 0.000 2.115 425 R HA 0.074 4.407 4.340 -0.012 0.000 0.226 425 R C 2.540 178.952 176.300 0.187 0.000 1.100 425 R CA 0.533 56.706 56.100 0.122 0.000 0.980 425 R CB -0.158 30.179 30.300 0.062 0.000 0.875 425 R HN 0.146 nan 8.270 nan 0.000 0.445 426 L N 0.442 121.727 121.223 0.104 0.000 2.109 426 L HA -0.106 4.227 4.340 -0.012 0.000 0.207 426 L C 2.234 179.183 176.870 0.131 0.000 1.086 426 L CA 0.915 55.811 54.840 0.093 0.000 0.760 426 L CB -0.275 41.782 42.059 -0.003 0.000 0.910 426 L HN 0.196 nan 8.230 nan 0.000 0.437 427 L N -1.607 119.673 121.223 0.095 0.000 2.141 427 L HA -0.224 4.109 4.340 -0.012 0.000 0.209 427 L C 2.375 179.389 176.870 0.241 0.000 1.094 427 L CA 1.303 56.214 54.840 0.117 0.000 0.763 427 L CB -0.398 41.664 42.059 0.005 0.000 0.908 427 L HN 0.410 nan 8.230 nan 0.000 0.437 428 W N 0.538 121.881 121.300 0.073 0.000 2.379 428 W HA -0.175 4.478 4.660 -0.012 0.000 0.307 428 W C 2.230 178.777 176.519 0.047 0.000 1.200 428 W CA 1.192 58.575 57.345 0.063 0.000 1.297 428 W CB -0.069 29.418 29.460 0.045 0.000 1.140 428 W HN -0.061 nan 8.180 nan 0.000 0.507 429 L N -0.375 121.067 121.223 0.364 0.000 2.083 429 L HA -0.262 4.070 4.340 -0.012 0.000 0.209 429 L C 2.425 179.317 176.870 0.036 0.000 1.083 429 L CA 1.619 56.563 54.840 0.174 0.000 0.752 429 L CB -1.064 41.143 42.059 0.247 0.000 0.899 429 L HN 0.116 nan 8.230 nan 0.000 0.433 430 Y N 0.646 120.952 120.300 0.009 0.000 2.163 430 Y HA -0.186 4.357 4.550 -0.012 0.000 0.288 430 Y C 2.714 178.598 175.900 -0.027 0.000 1.136 430 Y CA 1.490 59.608 58.100 0.030 0.000 1.147 430 Y CB -0.066 38.461 38.460 0.111 0.000 0.987 430 Y HN -0.037 nan 8.280 nan 0.000 0.509 431 R N -0.394 120.046 120.500 -0.101 0.000 2.093 431 R HA -0.048 4.285 4.340 -0.012 0.000 0.224 431 R C 1.610 177.691 176.300 -0.364 0.000 1.101 431 R CA 1.262 57.232 56.100 -0.216 0.000 0.979 431 R CB 0.006 30.277 30.300 -0.049 0.000 0.877 431 R HN 0.326 nan 8.270 nan 0.000 0.441 432 E N -0.301 119.553 120.200 -0.576 0.000 2.431 432 E HA 0.047 4.390 4.350 -0.012 0.000 0.200 432 E C 1.458 177.716 176.600 -0.570 0.000 0.995 432 E CA 0.432 56.395 56.400 -0.728 0.000 0.915 432 E CB 0.874 29.690 29.700 -1.473 0.000 0.930 432 E HN 0.083 nan 8.360 nan 0.000 0.496 433 V N 0.528 120.169 119.914 -0.454 0.000 3.668 433 V HA -0.014 4.098 4.120 -0.012 0.000 0.199 433 V C 1.882 177.862 176.094 -0.191 0.000 1.241 433 V CA 0.115 62.245 62.300 -0.283 0.000 1.308 433 V CB -0.062 31.629 31.823 -0.220 0.000 1.411 433 V HN -0.058 nan 8.190 nan 0.000 0.535 434 E N 0.981 121.102 120.200 -0.132 0.000 2.038 434 E HA -0.253 4.090 4.350 -0.012 0.000 0.195 434 E C 2.136 178.637 176.600 -0.165 0.000 1.000 434 E CA 1.787 58.144 56.400 -0.072 0.000 0.803 434 E CB -0.322 29.422 29.700 0.075 0.000 0.750 434 E HN 0.394 nan 8.360 nan 0.000 0.448 435 R N 0.431 120.722 120.500 -0.348 0.000 2.073 435 R HA -0.103 4.230 4.340 -0.012 0.000 0.234 435 R C -0.624 175.533 176.300 -0.239 0.000 1.134 435 R CA 1.580 57.455 56.100 -0.376 0.000 0.952 435 R CB -0.857 29.051 30.300 -0.652 0.000 0.850 435 R HN 0.136 nan 8.270 nan 0.000 0.433 436 P HA -0.138 nan 4.420 nan 0.000 0.217 436 P C 1.237 178.433 177.300 -0.172 0.000 1.150 436 P CA 0.808 63.800 63.100 -0.181 0.000 0.832 436 P CB -0.092 31.503 31.700 -0.175 0.000 0.787 437 L N 0.490 121.615 121.223 -0.164 0.000 2.083 437 L HA -0.158 4.175 4.340 -0.012 0.000 0.209 437 L C 2.336 179.113 176.870 -0.154 0.000 1.083 437 L CA 2.307 57.056 54.840 -0.152 0.000 0.752 437 L CB -1.505 40.487 42.059 -0.111 0.000 0.899 437 L HN 0.011 nan 8.230 nan 0.000 0.433 438 S N -0.573 115.051 115.700 -0.126 0.000 2.383 438 S HA -0.192 4.270 4.470 -0.012 0.000 0.229 438 S C 2.115 176.634 174.600 -0.135 0.000 1.030 438 S CA 1.015 59.154 58.200 -0.102 0.000 1.002 438 S CB -0.978 62.180 63.200 -0.070 0.000 0.829 438 S HN 0.529 nan 8.310 nan 0.000 0.467 439 A N 1.432 124.155 122.820 -0.163 0.000 1.898 439 A HA 0.113 4.426 4.320 -0.012 0.000 0.216 439 A C 2.443 179.868 177.584 -0.264 0.000 1.181 439 A CA 1.507 53.436 52.037 -0.179 0.000 0.620 439 A CB -1.116 17.803 19.000 -0.135 0.000 0.819 439 A HN 0.465 nan 8.150 nan 0.000 0.442 440 V N 0.322 119.993 119.914 -0.405 0.000 2.287 440 V HA -0.274 3.839 4.120 -0.012 0.000 0.248 440 V C 2.574 178.443 176.094 -0.375 0.000 1.053 440 V CA 2.029 63.910 62.300 -0.697 0.000 1.027 440 V CB -0.793 30.690 31.823 -0.566 0.000 0.646 440 V HN 0.571 nan 8.190 nan 0.000 0.447 441 L N -0.002 121.085 121.223 -0.226 0.000 2.083 441 L HA -0.147 4.186 4.340 -0.012 0.000 0.209 441 L C 2.750 179.599 176.870 -0.035 0.000 1.083 441 L CA 1.480 56.254 54.840 -0.110 0.000 0.752 441 L CB -0.866 41.166 42.059 -0.046 0.000 0.899 441 L HN 0.365 nan 8.230 nan 0.000 0.433 442 A N -0.410 122.349 122.820 -0.102 0.000 1.908 442 A HA -0.263 4.049 4.320 -0.012 0.000 0.218 442 A C 1.966 179.471 177.584 -0.130 0.000 1.181 442 A CA 1.851 53.812 52.037 -0.128 0.000 0.627 442 A CB -0.832 18.036 19.000 -0.220 0.000 0.818 442 A HN 0.450 nan 8.150 nan 0.000 0.445 443 H N -1.125 117.897 119.070 -0.080 0.000 2.326 443 H HA -0.009 4.540 4.556 -0.012 0.000 0.301 443 H C 2.226 177.587 175.328 0.055 0.000 1.081 443 H CA 1.969 58.022 56.048 0.007 0.000 1.334 443 H CB -0.193 29.618 29.762 0.082 0.000 1.385 443 H HN 0.432 nan 8.280 nan 0.000 0.504 444 M N 0.196 119.890 119.600 0.157 0.000 2.080 444 M HA -0.206 4.267 4.480 -0.012 0.000 0.260 444 M C 2.048 178.465 176.300 0.196 0.000 1.068 444 M CA 1.731 57.120 55.300 0.149 0.000 1.109 444 M CB -0.180 32.455 32.600 0.057 0.000 1.342 444 M HN 0.340 nan 8.290 nan 0.000 0.405 445 E N 0.284 120.611 120.200 0.212 0.000 2.085 445 E HA -0.175 4.168 4.350 -0.012 0.000 0.194 445 E C 2.044 178.767 176.600 0.204 0.000 0.994 445 E CA 1.335 57.858 56.400 0.204 0.000 0.801 445 E CB -0.191 29.596 29.700 0.145 0.000 0.743 445 E HN 0.541 nan 8.360 nan 0.000 0.453 446 A N 0.627 123.516 122.820 0.115 0.000 2.066 446 A HA -0.081 4.232 4.320 -0.012 0.000 0.218 446 A C 2.222 179.910 177.584 0.174 0.000 1.157 446 A CA 1.252 53.328 52.037 0.066 0.000 0.670 446 A CB -0.314 18.670 19.000 -0.027 0.000 0.804 446 A HN 0.131 nan 8.150 nan 0.000 0.453 447 T N -0.644 113.995 114.554 0.143 0.000 2.809 447 T HA 0.382 4.725 4.350 -0.012 0.000 0.260 447 T C 1.325 175.973 174.700 -0.086 0.000 1.039 447 T CA 1.230 63.363 62.100 0.056 0.000 1.141 447 T CB -0.597 68.290 68.868 0.031 0.000 0.869 447 T HN 1.484 nan 8.240 nan 0.000 0.437 448 G N 0.424 109.112 108.800 -0.186 0.000 2.782 448 G HA2 -0.075 3.878 3.960 -0.012 0.000 0.228 448 G HA3 -0.075 3.878 3.960 -0.012 0.000 0.228 448 G C -0.683 174.053 174.900 -0.272 0.000 1.372 448 G CA -0.366 44.426 45.100 -0.514 0.000 0.862 448 G HN 0.885 nan 8.290 nan 0.000 0.547 449 V N 0.169 119.942 119.914 -0.236 0.000 2.841 449 V HA 0.803 4.916 4.120 -0.012 0.000 0.310 449 V C 0.570 176.595 176.094 -0.115 0.000 1.090 449 V CA -0.284 61.947 62.300 -0.116 0.000 0.930 449 V CB 1.736 33.569 31.823 0.017 0.000 1.014 449 V HN 1.193 nan 8.190 nan 0.000 0.425 450 R N 3.982 124.417 120.500 -0.108 0.000 2.490 450 R HA 0.591 4.924 4.340 -0.012 0.000 0.280 450 R C -1.473 174.751 176.300 -0.126 0.000 1.077 450 R CA -0.353 55.682 56.100 -0.108 0.000 1.065 450 R CB 1.168 31.406 30.300 -0.103 0.000 1.003 450 R HN 0.657 nan 8.270 nan 0.000 0.470 451 L N 2.969 124.102 121.223 -0.149 0.000 2.408 451 L HA 0.271 4.603 4.340 -0.012 0.000 0.268 451 L C -1.140 175.656 176.870 -0.122 0.000 0.986 451 L CA -0.449 54.253 54.840 -0.230 0.000 0.820 451 L CB 1.970 43.853 42.059 -0.292 0.000 1.303 451 L HN 0.609 nan 8.230 nan 0.000 0.411 452 D N 3.472 123.808 120.400 -0.106 0.000 2.483 452 D HA 0.107 4.740 4.640 -0.012 0.000 0.220 452 D C 0.995 177.326 176.300 0.053 0.000 1.173 452 D CA 0.126 54.110 54.000 -0.026 0.000 0.964 452 D CB 0.815 41.574 40.800 -0.070 0.000 1.046 452 D HN 0.389 nan 8.370 nan 0.000 0.517 453 V N 3.674 123.604 119.914 0.026 0.000 2.295 453 V HA -0.265 3.848 4.120 -0.012 0.000 0.246 453 V C 2.526 178.658 176.094 0.063 0.000 1.049 453 V CA 2.125 64.447 62.300 0.037 0.000 1.024 453 V CB -0.671 31.165 31.823 0.022 0.000 0.648 453 V HN 0.634 nan 8.190 nan 0.000 0.447 454 A N -0.974 121.887 122.820 0.068 0.000 1.940 454 A HA -0.302 4.011 4.320 -0.012 0.000 0.219 454 A C 2.159 179.798 177.584 0.093 0.000 1.176 454 A CA 2.261 54.338 52.037 0.065 0.000 0.631 454 A CB -0.820 18.216 19.000 0.060 0.000 0.814 454 A HN 0.699 nan 8.150 nan 0.000 0.446 455 Y N 0.331 120.629 120.300 -0.005 0.000 2.181 455 Y HA -0.136 4.406 4.550 -0.012 0.000 0.288 455 Y C 1.900 177.801 175.900 0.002 0.000 1.146 455 Y CA 1.896 59.996 58.100 0.000 0.000 1.164 455 Y CB -0.223 38.238 38.460 0.001 0.000 0.982 455 Y HN 0.213 nan 8.280 nan 0.000 0.515 456 L N -0.355 120.908 121.223 0.066 0.000 2.109 456 L HA -0.163 4.170 4.340 -0.012 0.000 0.207 456 L C 2.589 179.425 176.870 -0.057 0.000 1.086 456 L CA 0.747 55.571 54.840 -0.028 0.000 0.760 456 L CB -0.451 41.645 42.059 0.061 0.000 0.910 456 L HN 0.125 nan 8.230 nan 0.000 0.437 457 R N 0.328 120.814 120.500 -0.023 0.000 2.081 457 R HA -0.105 4.228 4.340 -0.012 0.000 0.235 457 R C 2.305 178.575 176.300 -0.050 0.000 1.131 457 R CA 1.536 57.621 56.100 -0.025 0.000 0.960 457 R CB -0.915 29.382 30.300 -0.005 0.000 0.856 457 R HN 0.336 nan 8.270 nan 0.000 0.436 458 A N 1.275 124.052 122.820 -0.071 0.000 1.898 458 A HA -0.128 4.185 4.320 -0.012 0.000 0.216 458 A C 2.208 179.719 177.584 -0.123 0.000 1.181 458 A CA 1.047 53.033 52.037 -0.085 0.000 0.620 458 A CB -0.499 18.451 19.000 -0.083 0.000 0.819 458 A HN 0.220 nan 8.150 nan 0.000 0.442 459 L N -0.142 120.961 121.223 -0.199 0.000 2.083 459 L HA -0.106 4.227 4.340 -0.012 0.000 0.209 459 L C 2.544 179.348 176.870 -0.109 0.000 1.083 459 L CA 2.482 57.201 54.840 -0.203 0.000 0.752 459 L CB -0.770 41.108 42.059 -0.302 0.000 0.899 459 L HN 0.350 nan 8.230 nan 0.000 0.433 460 S N -0.772 114.879 115.700 -0.081 0.000 2.359 460 S HA -0.184 4.279 4.470 -0.012 0.000 0.224 460 S C 2.017 176.591 174.600 -0.043 0.000 1.035 460 S CA 1.741 59.911 58.200 -0.049 0.000 1.018 460 S CB -0.424 62.756 63.200 -0.033 0.000 0.876 460 S HN 0.528 nan 8.310 nan 0.000 0.448 461 L N 1.133 122.331 121.223 -0.043 0.000 2.131 461 L HA -0.093 4.240 4.340 -0.012 0.000 0.210 461 L C 2.723 179.573 176.870 -0.033 0.000 1.092 461 L CA 1.857 56.677 54.840 -0.032 0.000 0.759 461 L CB -0.653 41.389 42.059 -0.028 0.000 0.903 461 L HN 0.568 nan 8.230 nan 0.000 0.435 462 E N 0.477 120.650 120.200 -0.045 0.000 2.072 462 E HA -0.146 4.197 4.350 -0.012 0.000 0.190 462 E C 2.173 178.751 176.600 -0.037 0.000 0.982 462 E CA 1.146 57.522 56.400 -0.041 0.000 0.803 462 E CB 0.042 29.710 29.700 -0.053 0.000 0.755 462 E HN 0.202 nan 8.360 nan 0.000 0.453 463 V N 1.542 121.430 119.914 -0.044 0.000 2.490 463 V HA -0.221 3.892 4.120 -0.012 0.000 0.250 463 V C 2.541 178.612 176.094 -0.039 0.000 1.061 463 V CA 1.621 63.895 62.300 -0.042 0.000 1.064 463 V CB -0.696 31.099 31.823 -0.046 0.000 0.670 463 V HN 0.493 nan 8.190 nan 0.000 0.461 464 A N -0.195 122.605 122.820 -0.033 0.000 1.883 464 A HA -0.270 4.043 4.320 -0.012 0.000 0.217 464 A C 2.191 179.767 177.584 -0.013 0.000 1.186 464 A CA 2.023 54.046 52.037 -0.023 0.000 0.624 464 A CB -0.486 18.504 19.000 -0.017 0.000 0.822 464 A HN 0.602 nan 8.150 nan 0.000 0.444 465 E N -1.001 119.191 120.200 -0.013 0.000 2.077 465 E HA -0.228 4.115 4.350 -0.012 0.000 0.193 465 E C 2.079 178.675 176.600 -0.007 0.000 0.989 465 E CA 1.323 57.718 56.400 -0.007 0.000 0.800 465 E CB -0.083 29.611 29.700 -0.009 0.000 0.746 465 E HN 0.688 nan 8.360 nan 0.000 0.452 466 E N 1.074 121.266 120.200 -0.013 0.000 2.106 466 E HA -0.135 4.208 4.350 -0.012 0.000 0.192 466 E C 1.783 178.381 176.600 -0.003 0.000 0.984 466 E CA 0.868 57.261 56.400 -0.010 0.000 0.806 466 E CB -0.155 29.535 29.700 -0.017 0.000 0.750 466 E HN 0.249 nan 8.360 nan 0.000 0.458 467 I N 0.346 120.911 120.570 -0.009 0.000 2.226 467 I HA -0.262 3.901 4.170 -0.012 0.000 0.245 467 I C 2.331 178.482 176.117 0.057 0.000 1.100 467 I CA 1.044 62.351 61.300 0.013 0.000 1.374 467 I CB -0.393 37.581 38.000 -0.043 0.000 1.057 467 I HN 0.208 nan 8.210 nan 0.000 0.413 468 A N 0.954 123.790 122.820 0.027 0.000 1.933 468 A HA -0.209 4.104 4.320 -0.012 0.000 0.218 468 A C 2.371 179.949 177.584 -0.009 0.000 1.175 468 A CA 1.474 53.522 52.037 0.019 0.000 0.628 468 A CB -0.546 18.466 19.000 0.019 0.000 0.814 468 A HN 0.343 nan 8.150 nan 0.000 0.444 469 R N -0.565 119.931 120.500 -0.007 0.000 2.096 469 R HA -0.016 4.317 4.340 -0.012 0.000 0.235 469 R C 2.016 178.291 176.300 -0.042 0.000 1.127 469 R CA 1.379 57.468 56.100 -0.018 0.000 0.968 469 R CB -0.516 29.779 30.300 -0.009 0.000 0.861 469 R HN 0.495 nan 8.270 nan 0.000 0.440 470 L N 1.011 122.219 121.223 -0.025 0.000 2.056 470 L HA -0.173 4.160 4.340 -0.012 0.000 0.207 470 L C 2.746 179.500 176.870 -0.193 0.000 1.078 470 L CA 1.538 56.354 54.840 -0.040 0.000 0.749 470 L CB -0.550 41.553 42.059 0.073 0.000 0.901 470 L HN 0.338 nan 8.230 nan 0.000 0.433 471 E N 0.792 120.831 120.200 -0.268 0.000 2.107 471 E HA -0.180 4.163 4.350 -0.012 0.000 0.191 471 E C 2.174 178.278 176.600 -0.827 0.000 0.982 471 E CA 1.027 56.971 56.400 -0.760 0.000 0.809 471 E CB -0.207 29.080 29.700 -0.689 0.000 0.756 471 E HN 0.356 nan 8.360 nan 0.000 0.459 472 A N 1.747 124.370 122.820 -0.328 0.000 1.908 472 A HA -0.218 4.095 4.320 -0.012 0.000 0.218 472 A C 2.184 179.700 177.584 -0.113 0.000 1.181 472 A CA 1.644 53.612 52.037 -0.115 0.000 0.627 472 A CB -0.446 18.540 19.000 -0.023 0.000 0.818 472 A HN 0.215 nan 8.150 nan 0.000 0.445 473 E N -0.220 119.894 120.200 -0.143 0.000 2.047 473 E HA -0.103 4.240 4.350 -0.012 0.000 0.191 473 E C 2.268 178.798 176.600 -0.116 0.000 0.987 473 E CA 1.297 57.642 56.400 -0.091 0.000 0.799 473 E CB -0.494 29.163 29.700 -0.071 0.000 0.752 473 E HN 0.356 nan 8.360 nan 0.000 0.449 474 V N 1.266 121.024 119.914 -0.259 0.000 2.287 474 V HA -0.263 3.850 4.120 -0.012 0.000 0.248 474 V C 2.243 178.270 176.094 -0.111 0.000 1.053 474 V CA 1.720 63.866 62.300 -0.256 0.000 1.027 474 V CB -0.632 30.893 31.823 -0.495 0.000 0.646 474 V HN 0.126 nan 8.190 nan 0.000 0.447 475 F N 0.335 120.199 119.950 -0.142 0.000 2.134 475 F HA -0.100 4.420 4.527 -0.011 0.000 0.299 475 F C 2.542 178.308 175.800 -0.057 0.000 1.097 475 F CA 1.594 59.524 58.000 -0.118 0.000 1.264 475 F CB -0.987 37.931 39.000 -0.138 0.000 1.001 475 F HN 0.052 nan 8.300 nan 0.000 0.479 476 R N 0.534 121.119 120.500 0.142 0.000 2.120 476 R HA -0.139 4.193 4.340 -0.012 0.000 0.234 476 R C 2.022 178.368 176.300 0.075 0.000 1.123 476 R CA 1.169 57.324 56.100 0.091 0.000 0.975 476 R CB -0.358 29.977 30.300 0.058 0.000 0.866 476 R HN 0.319 nan 8.270 nan 0.000 0.446 477 L N -0.300 120.966 121.223 0.071 0.000 2.179 477 L HA 0.046 4.379 4.340 -0.012 0.000 0.208 477 L C 2.472 179.383 176.870 0.069 0.000 1.096 477 L CA 0.801 55.701 54.840 0.099 0.000 0.779 477 L CB -0.251 41.888 42.059 0.133 0.000 0.922 477 L HN 0.244 nan 8.230 nan 0.000 0.443 478 A N -0.396 122.440 122.820 0.028 0.000 2.119 478 A HA 0.144 4.457 4.320 -0.012 0.000 0.217 478 A C 1.889 179.420 177.584 -0.088 0.000 1.153 478 A CA 1.041 53.027 52.037 -0.086 0.000 0.692 478 A CB -0.488 18.448 19.000 -0.106 0.000 0.799 478 A HN 0.515 nan 8.150 nan 0.000 0.458 479 G N -1.394 107.412 108.800 0.009 0.000 2.176 479 G HA2 -0.194 3.759 3.960 -0.012 0.000 0.253 479 G HA3 -0.194 3.759 3.960 -0.012 0.000 0.253 479 G C 0.095 175.091 174.900 0.159 0.000 0.979 479 G CA 1.084 46.236 45.100 0.087 0.000 0.641 479 G HN 2.025 nan 8.290 nan 0.000 0.530 480 H N -2.728 116.408 119.070 0.110 0.000 3.005 480 H HA 0.655 5.204 4.556 -0.012 0.000 0.311 480 H C -3.309 172.054 175.328 0.059 0.000 1.366 480 H CA -1.260 54.824 56.048 0.059 0.000 1.210 480 H CB 0.538 30.317 29.762 0.030 0.000 1.894 480 H HN 0.154 nan 8.280 nan 0.000 0.520 481 P HA 0.337 nan 4.420 nan 0.000 0.282 481 P C -1.093 176.101 177.300 -0.176 0.000 1.249 481 P CA -0.207 62.456 63.100 -0.728 0.000 0.806 481 P CB 0.984 32.223 31.700 -0.767 0.000 0.984 482 F N -1.345 118.284 119.950 -0.535 0.000 2.831 482 F HA 0.487 5.007 4.527 -0.012 0.000 0.318 482 F C -0.797 174.997 175.800 -0.010 0.000 1.174 482 F CA -1.485 56.447 58.000 -0.113 0.000 0.918 482 F CB 0.321 39.363 39.000 0.071 0.000 1.364 482 F HN 0.038 nan 8.300 nan 0.000 0.475 483 N N 1.983 120.779 118.700 0.160 0.000 2.402 483 N HA 0.096 4.829 4.740 -0.012 0.000 0.259 483 N C 0.523 176.083 175.510 0.083 0.000 1.167 483 N CA -0.145 52.959 53.050 0.090 0.000 0.949 483 N CB 0.820 39.383 38.487 0.127 0.000 1.212 483 N HN 0.835 nan 8.380 nan 0.000 0.493 484 L N 3.977 125.109 121.223 -0.153 0.000 2.275 484 L HA 0.032 4.365 4.340 -0.012 0.000 0.215 484 L C 1.238 178.138 176.870 0.051 0.000 1.119 484 L CA 1.369 56.061 54.840 -0.247 0.000 0.790 484 L CB -0.485 41.122 42.059 -0.754 0.000 0.919 484 L HN 0.504 nan 8.230 nan 0.000 0.443 485 N N -1.205 117.578 118.700 0.138 0.000 2.457 485 N HA -0.044 4.689 4.740 -0.012 0.000 0.180 485 N C 0.659 176.255 175.510 0.143 0.000 1.050 485 N CA 0.562 53.719 53.050 0.179 0.000 0.906 485 N CB -0.051 38.527 38.487 0.151 0.000 0.968 485 N HN 0.276 nan 8.380 nan 0.000 0.445 486 S N 1.068 116.859 115.700 0.152 0.000 2.411 486 S HA 0.208 4.671 4.470 -0.012 0.000 0.294 486 S C 1.208 175.897 174.600 0.147 0.000 1.115 486 S CA -0.794 57.490 58.200 0.139 0.000 1.071 486 S CB 0.751 64.036 63.200 0.141 0.000 0.967 486 S HN 0.217 nan 8.310 nan 0.000 0.488 487 R N 3.860 124.431 120.500 0.117 0.000 2.237 487 R HA 0.064 4.396 4.340 -0.012 0.000 0.219 487 R C 0.826 177.184 176.300 0.097 0.000 1.080 487 R CA 1.322 57.487 56.100 0.109 0.000 0.995 487 R CB -0.612 29.747 30.300 0.099 0.000 0.875 487 R HN 0.417 nan 8.270 nan 0.000 0.462 488 D N 1.053 121.506 120.400 0.088 0.000 2.103 488 D HA -0.107 4.526 4.640 -0.012 0.000 0.199 488 D C 1.860 178.191 176.300 0.052 0.000 0.978 488 D CA 1.352 55.394 54.000 0.070 0.000 0.829 488 D CB -0.198 40.638 40.800 0.060 0.000 0.981 488 D HN 0.422 nan 8.370 nan 0.000 0.464 489 Q N -0.249 119.593 119.800 0.071 0.000 2.119 489 Q HA -0.090 4.243 4.340 -0.012 0.000 0.201 489 Q C 2.128 178.071 176.000 -0.096 0.000 0.972 489 Q CA 0.497 56.318 55.803 0.030 0.000 0.847 489 Q CB -0.062 28.777 28.738 0.168 0.000 0.903 489 Q HN 0.176 nan 8.270 nan 0.000 0.433 490 L N 1.328 122.569 121.223 0.031 0.000 2.046 490 L HA -0.196 4.137 4.340 -0.012 0.000 0.208 490 L C 2.214 178.987 176.870 -0.162 0.000 1.077 490 L CA 1.871 56.690 54.840 -0.035 0.000 0.747 490 L CB -0.479 41.646 42.059 0.110 0.000 0.896 490 L HN 0.213 nan 8.230 nan 0.000 0.432 491 E N -0.498 119.672 120.200 -0.050 0.000 2.070 491 E HA -0.339 4.004 4.350 -0.012 0.000 0.197 491 E C 2.421 179.000 176.600 -0.035 0.000 1.004 491 E CA 1.631 58.043 56.400 0.020 0.000 0.805 491 E CB -0.147 29.654 29.700 0.169 0.000 0.744 491 E HN 0.467 nan 8.360 nan 0.000 0.451 492 R N -0.197 120.270 120.500 -0.056 0.000 2.081 492 R HA -0.112 4.221 4.340 -0.012 0.000 0.235 492 R C 2.392 178.601 176.300 -0.151 0.000 1.131 492 R CA 1.364 57.426 56.100 -0.063 0.000 0.960 492 R CB -0.130 30.130 30.300 -0.067 0.000 0.856 492 R HN 0.100 nan 8.270 nan 0.000 0.436 493 V N 0.877 120.616 119.914 -0.292 0.000 2.343 493 V HA -0.240 3.872 4.120 -0.012 0.000 0.247 493 V C 2.216 178.114 176.094 -0.327 0.000 1.051 493 V CA 1.642 63.728 62.300 -0.357 0.000 1.036 493 V CB -0.335 31.084 31.823 -0.673 0.000 0.654 493 V HN 0.338 nan 8.190 nan 0.000 0.451 494 L N -1.657 119.300 121.223 -0.443 0.000 2.068 494 L HA -0.033 4.300 4.340 -0.012 0.000 0.204 494 L C 2.226 178.807 176.870 -0.482 0.000 1.076 494 L CA 1.549 56.024 54.840 -0.608 0.000 0.753 494 L CB -0.371 41.062 42.059 -1.044 0.000 0.910 494 L HN 0.292 nan 8.230 nan 0.000 0.439 495 F N -1.181 118.736 119.950 -0.055 0.000 2.656 495 F HA 0.053 4.572 4.527 -0.013 0.000 0.291 495 F C 1.926 177.709 175.800 -0.029 0.000 1.122 495 F CA 0.022 58.003 58.000 -0.031 0.000 1.427 495 F CB -0.263 38.725 39.000 -0.019 0.000 1.125 495 F HN -0.003 nan 8.300 nan 0.000 0.583 496 D N 0.070 120.523 120.400 0.089 0.000 2.468 496 D HA -0.007 4.626 4.640 -0.012 0.000 0.243 496 D C 1.973 178.279 176.300 0.011 0.000 0.994 496 D CA 0.944 54.973 54.000 0.047 0.000 0.932 496 D CB -0.151 40.665 40.800 0.026 0.000 1.078 496 D HN 0.211 nan 8.370 nan 0.000 0.473 497 E N 0.494 120.678 120.200 -0.027 0.000 2.021 497 E HA 0.038 4.381 4.350 -0.012 0.000 0.189 497 E C 2.055 178.642 176.600 -0.021 0.000 0.980 497 E CA 0.503 56.890 56.400 -0.022 0.000 0.803 497 E CB 0.055 29.740 29.700 -0.025 0.000 0.766 497 E HN 0.160 nan 8.360 nan 0.000 0.449 498 L N 0.231 121.413 121.223 -0.068 0.000 2.554 498 L HA 0.167 4.500 4.340 -0.012 0.000 0.226 498 L C 1.066 177.933 176.870 -0.004 0.000 1.137 498 L CA 0.192 54.994 54.840 -0.063 0.000 0.863 498 L CB -0.414 41.514 42.059 -0.219 0.000 0.985 498 L HN 0.257 nan 8.230 nan 0.000 0.451 499 G N 1.719 110.528 108.800 0.015 0.000 2.371 499 G HA2 -0.279 3.674 3.960 -0.012 0.000 0.299 499 G HA3 -0.279 3.674 3.960 -0.012 0.000 0.299 499 G C 0.034 174.992 174.900 0.097 0.000 1.014 499 G CA 0.074 45.214 45.100 0.066 0.000 1.097 499 G HN 0.247 nan 8.290 nan 0.000 0.512 500 L N 0.661 121.959 121.223 0.125 0.000 2.421 500 L HA 0.474 4.806 4.340 -0.012 0.000 0.263 500 L C -1.299 175.756 176.870 0.308 0.000 1.122 500 L CA -2.226 52.724 54.840 0.183 0.000 0.804 500 L CB 0.960 43.089 42.059 0.117 0.000 1.150 500 L HN 0.052 nan 8.230 nan 0.000 0.457 501 P HA 0.131 nan 4.420 nan 0.000 0.276 501 P C -1.038 176.304 177.300 0.069 0.000 1.243 501 P CA -0.359 62.818 63.100 0.128 0.000 0.768 501 P CB 1.059 32.810 31.700 0.085 0.000 0.856 502 A N 4.390 127.068 122.820 -0.237 0.000 2.404 502 A HA 0.254 4.567 4.320 -0.012 0.000 0.273 502 A C 1.293 178.711 177.584 -0.277 0.000 1.144 502 A CA -0.418 51.214 52.037 -0.675 0.000 0.806 502 A CB -0.506 17.980 19.000 -0.857 0.000 1.080 502 A HN 0.560 nan 8.150 nan 0.000 0.509 503 I N 2.119 122.583 120.570 -0.176 0.000 2.731 503 I HA 0.190 4.353 4.170 -0.012 0.000 0.260 503 I C 1.370 177.465 176.117 -0.037 0.000 1.138 503 I CA 0.889 62.162 61.300 -0.044 0.000 1.461 503 I CB 0.008 38.028 38.000 0.034 0.000 1.128 503 I HN 0.664 nan 8.210 nan 0.000 0.438 504 G N 0.515 109.278 108.800 -0.062 0.000 2.708 504 G HA2 0.528 4.481 3.960 -0.012 0.000 0.289 504 G HA3 0.528 4.481 3.960 -0.012 0.000 0.289 504 G C -1.396 173.474 174.900 -0.051 0.000 1.416 504 G CA -0.453 44.631 45.100 -0.027 0.000 0.829 504 G HN -0.264 nan 8.290 nan 0.000 0.480 505 K N 0.348 120.736 120.400 -0.021 0.000 2.267 505 K HA 0.630 4.943 4.320 -0.012 0.000 0.246 505 K C 0.314 176.920 176.600 0.009 0.000 0.954 505 K CA -0.552 55.724 56.287 -0.019 0.000 0.824 505 K CB 1.802 34.290 32.500 -0.021 0.000 1.167 505 K HN 0.808 nan 8.250 nan 0.000 0.431 506 T N -2.040 112.524 114.554 0.016 0.000 2.882 506 T HA 0.112 4.455 4.350 -0.012 0.000 0.287 506 T C 1.203 175.917 174.700 0.023 0.000 1.014 506 T CA -0.314 61.803 62.100 0.028 0.000 1.049 506 T CB 1.309 70.198 68.868 0.036 0.000 1.001 506 T HN 0.557 nan 8.240 nan 0.000 0.525 507 E N 0.864 121.080 120.200 0.026 0.000 2.028 507 E HA -0.071 4.272 4.350 -0.012 0.000 0.190 507 E C 1.837 178.449 176.600 0.020 0.000 0.984 507 E CA 1.362 57.776 56.400 0.023 0.000 0.800 507 E CB -0.090 29.625 29.700 0.026 0.000 0.758 507 E HN 0.591 nan 8.360 nan 0.000 0.448 508 K N -0.685 119.728 120.400 0.021 0.000 2.186 508 K HA 0.063 4.376 4.320 -0.012 0.000 0.202 508 K C 1.775 178.385 176.600 0.016 0.000 1.052 508 K CA 1.555 57.853 56.287 0.018 0.000 0.965 508 K CB 0.107 32.619 32.500 0.020 0.000 0.746 508 K HN 0.398 nan 8.250 nan 0.000 0.457 509 T N -3.682 110.883 114.554 0.018 0.000 3.043 509 T HA 0.264 4.607 4.350 -0.012 0.000 0.272 509 T C 1.083 175.791 174.700 0.014 0.000 0.990 509 T CA 0.377 62.487 62.100 0.016 0.000 0.897 509 T CB 0.531 69.411 68.868 0.020 0.000 1.111 509 T HN 0.239 nan 8.240 nan 0.000 0.529 510 G N 2.197 111.004 108.800 0.012 0.000 2.258 510 G HA2 -0.287 3.666 3.960 -0.012 0.000 0.274 510 G HA3 -0.287 3.666 3.960 -0.012 0.000 0.274 510 G C -0.069 174.832 174.900 0.001 0.000 1.021 510 G CA 0.410 45.513 45.100 0.004 0.000 0.798 510 G HN 0.692 nan 8.290 nan 0.000 0.507 511 K N -0.455 119.953 120.400 0.012 0.000 2.168 511 K HA 0.394 4.706 4.320 -0.012 0.000 0.258 511 K C 0.913 177.515 176.600 0.003 0.000 1.010 511 K CA -0.690 55.608 56.287 0.018 0.000 0.929 511 K CB 0.746 33.272 32.500 0.042 0.000 0.998 511 K HN 0.246 nan 8.250 nan 0.000 0.479 512 R N 1.159 121.653 120.500 -0.011 0.000 2.351 512 R HA 0.008 4.341 4.340 -0.012 0.000 0.318 512 R C 0.180 176.505 176.300 0.043 0.000 1.055 512 R CA -0.029 56.010 56.100 -0.102 0.000 0.968 512 R CB 0.682 30.803 30.300 -0.298 0.000 0.974 512 R HN 0.433 nan 8.270 nan 0.000 0.439 513 S N 1.258 116.971 115.700 0.021 0.000 2.562 513 S HA 0.027 4.490 4.470 -0.012 0.000 0.281 513 S C 0.996 175.741 174.600 0.242 0.000 1.333 513 S CA -0.310 57.956 58.200 0.111 0.000 1.052 513 S CB 0.646 63.887 63.200 0.068 0.000 0.884 513 S HN 0.714 nan 8.310 nan 0.000 0.506 514 T N 0.632 115.315 114.554 0.215 0.000 3.266 514 T HA 0.308 4.651 4.350 -0.012 0.000 0.278 514 T C 0.493 175.275 174.700 0.137 0.000 1.010 514 T CA -0.106 62.119 62.100 0.208 0.000 0.909 514 T CB -0.512 68.444 68.868 0.147 0.000 1.122 514 T HN 0.607 nan 8.240 nan 0.000 0.536 515 S N 0.613 116.385 115.700 0.121 0.000 2.589 515 S HA 0.574 5.037 4.470 -0.012 0.000 0.265 515 S C 1.894 176.546 174.600 0.087 0.000 1.342 515 S CA -0.207 58.048 58.200 0.092 0.000 1.005 515 S CB 0.760 64.007 63.200 0.079 0.000 0.909 515 S HN 0.523 nan 8.310 nan 0.000 0.555 516 A N 1.915 124.779 122.820 0.073 0.000 1.940 516 A HA 0.121 4.434 4.320 -0.012 0.000 0.219 516 A C 2.426 180.047 177.584 0.061 0.000 1.176 516 A CA 1.838 53.914 52.037 0.065 0.000 0.631 516 A CB -1.698 17.336 19.000 0.057 0.000 0.814 516 A HN 1.406 nan 8.150 nan 0.000 0.446 517 A N -0.759 122.095 122.820 0.058 0.000 1.933 517 A HA 0.016 4.328 4.320 -0.012 0.000 0.218 517 A C 2.226 179.845 177.584 0.058 0.000 1.175 517 A CA 1.815 53.881 52.037 0.048 0.000 0.628 517 A CB -0.720 18.305 19.000 0.042 0.000 0.814 517 A HN 0.367 nan 8.150 nan 0.000 0.444 518 V N -0.071 119.890 119.914 0.079 0.000 2.346 518 V HA -0.171 3.942 4.120 -0.012 0.000 0.244 518 V C 2.500 178.661 176.094 0.113 0.000 1.037 518 V CA 1.666 64.028 62.300 0.102 0.000 1.029 518 V CB -0.630 31.274 31.823 0.135 0.000 0.663 518 V HN 0.572 nan 8.190 nan 0.000 0.454 519 L N -0.040 121.246 121.223 0.105 0.000 2.131 519 L HA -0.201 4.132 4.340 -0.012 0.000 0.210 519 L C 2.549 179.461 176.870 0.071 0.000 1.092 519 L CA 1.586 56.478 54.840 0.087 0.000 0.759 519 L CB -0.534 41.567 42.059 0.070 0.000 0.903 519 L HN 0.382 nan 8.230 nan 0.000 0.435 520 E N 0.730 120.967 120.200 0.062 0.000 2.077 520 E HA -0.195 4.148 4.350 -0.012 0.000 0.193 520 E C 2.124 178.753 176.600 0.048 0.000 0.989 520 E CA 1.448 57.877 56.400 0.048 0.000 0.800 520 E CB -0.072 29.651 29.700 0.038 0.000 0.746 520 E HN 0.378 nan 8.360 nan 0.000 0.452 521 A N -0.166 122.688 122.820 0.056 0.000 2.119 521 A HA 0.037 4.350 4.320 -0.012 0.000 0.217 521 A C 1.631 179.256 177.584 0.069 0.000 1.153 521 A CA 0.609 52.680 52.037 0.057 0.000 0.692 521 A CB -0.165 18.872 19.000 0.061 0.000 0.799 521 A HN 0.300 nan 8.150 nan 0.000 0.458 522 L N -1.234 120.038 121.223 0.082 0.000 2.872 522 L HA 0.218 4.551 4.340 -0.012 0.000 0.245 522 L C 2.031 178.946 176.870 0.076 0.000 1.211 522 L CA -0.190 54.704 54.840 0.090 0.000 1.013 522 L CB -0.125 42.004 42.059 0.116 0.000 1.326 522 L HN 0.341 nan 8.230 nan 0.000 0.525 523 R N 0.753 121.289 120.500 0.061 0.000 2.096 523 R HA -0.096 4.237 4.340 -0.012 0.000 0.235 523 R C 1.034 177.364 176.300 0.051 0.000 1.127 523 R CA 1.100 57.231 56.100 0.052 0.000 0.968 523 R CB 0.290 30.615 30.300 0.041 0.000 0.861 523 R HN 0.352 nan 8.270 nan 0.000 0.440 524 E N -0.906 119.322 120.200 0.047 0.000 2.444 524 E HA 0.076 4.419 4.350 -0.012 0.000 0.191 524 E C 0.701 177.328 176.600 0.044 0.000 1.041 524 E CA 0.124 56.545 56.400 0.036 0.000 0.883 524 E CB 1.125 30.841 29.700 0.027 0.000 1.024 524 E HN 0.257 nan 8.360 nan 0.000 0.470 525 A N 0.635 123.497 122.820 0.071 0.000 2.238 525 A HA 0.030 4.343 4.320 -0.012 0.000 0.210 525 A C 0.487 178.159 177.584 0.146 0.000 1.179 525 A CA 0.459 52.550 52.037 0.091 0.000 0.827 525 A CB 0.155 19.217 19.000 0.103 0.000 0.856 525 A HN 0.194 nan 8.150 nan 0.000 0.488 526 H N -2.072 117.005 119.070 0.012 0.000 3.120 526 H HA 0.154 4.702 4.556 -0.012 0.000 0.314 526 H C -2.888 172.439 175.328 -0.001 0.000 1.151 526 H CA -0.637 55.413 56.048 0.003 0.000 1.404 526 H CB 1.538 31.297 29.762 -0.006 0.000 2.031 526 H HN -0.082 nan 8.280 nan 0.000 0.513 527 P HA -0.008 nan 4.420 nan 0.000 0.220 527 P C 1.762 179.149 177.300 0.144 0.000 1.148 527 P CA 0.588 63.719 63.100 0.052 0.000 0.803 527 P CB 0.436 32.117 31.700 -0.032 0.000 0.782 528 I N -0.765 120.010 120.570 0.341 0.000 2.454 528 I HA -0.201 3.961 4.170 -0.012 0.000 0.254 528 I C 1.693 177.843 176.117 0.054 0.000 1.156 528 I CA 1.147 62.538 61.300 0.151 0.000 1.433 528 I CB 0.001 38.024 38.000 0.038 0.000 1.082 528 I HN -0.198 nan 8.210 nan 0.000 0.432 529 V N 0.974 120.932 119.914 0.074 0.000 2.343 529 V HA -0.273 3.840 4.120 -0.012 0.000 0.247 529 V C 2.464 178.581 176.094 0.039 0.000 1.051 529 V CA 2.170 64.492 62.300 0.037 0.000 1.036 529 V CB -0.730 31.125 31.823 0.052 0.000 0.654 529 V HN 0.481 nan 8.190 nan 0.000 0.451 530 E N 0.637 120.864 120.200 0.045 0.000 2.110 530 E HA -0.218 4.125 4.350 -0.012 0.000 0.193 530 E C 2.133 178.751 176.600 0.031 0.000 0.988 530 E CA 1.356 57.777 56.400 0.036 0.000 0.804 530 E CB -0.199 29.520 29.700 0.032 0.000 0.745 530 E HN 0.336 nan 8.360 nan 0.000 0.458 531 K N 0.234 120.647 120.400 0.021 0.000 2.097 531 K HA -0.070 4.243 4.320 -0.012 0.000 0.206 531 K C 2.300 178.914 176.600 0.023 0.000 1.049 531 K CA 1.252 57.543 56.287 0.007 0.000 0.933 531 K CB -0.488 31.994 32.500 -0.030 0.000 0.717 531 K HN 0.333 nan 8.250 nan 0.000 0.442 532 I N 0.792 121.370 120.570 0.014 0.000 2.315 532 I HA -0.232 3.931 4.170 -0.012 0.000 0.248 532 I C 2.197 178.374 176.117 0.101 0.000 1.117 532 I CA 0.823 62.146 61.300 0.038 0.000 1.404 532 I CB -0.194 37.812 38.000 0.009 0.000 1.071 532 I HN 0.013 nan 8.210 nan 0.000 0.419 533 L N -0.045 121.220 121.223 0.070 0.000 2.093 533 L HA -0.211 4.122 4.340 -0.012 0.000 0.208 533 L C 2.584 179.492 176.870 0.064 0.000 1.085 533 L CA 1.332 56.212 54.840 0.067 0.000 0.755 533 L CB -0.454 41.636 42.059 0.052 0.000 0.904 533 L HN 0.312 nan 8.230 nan 0.000 0.435 534 Q N -1.287 118.551 119.800 0.063 0.000 2.083 534 Q HA -0.227 4.106 4.340 -0.012 0.000 0.198 534 Q C 2.069 178.102 176.000 0.055 0.000 0.969 534 Q CA 1.560 57.391 55.803 0.047 0.000 0.838 534 Q CB -0.255 28.506 28.738 0.038 0.000 0.900 534 Q HN 0.461 nan 8.270 nan 0.000 0.436 535 Y N 1.635 121.911 120.300 -0.039 0.000 2.128 535 Y HA -0.243 4.300 4.550 -0.012 0.000 0.284 535 Y C 2.248 178.130 175.900 -0.029 0.000 1.154 535 Y CA 1.503 59.570 58.100 -0.054 0.000 1.149 535 Y CB 0.136 38.541 38.460 -0.092 0.000 0.976 535 Y HN -0.074 nan 8.280 nan 0.000 0.505 536 R N 0.369 120.917 120.500 0.082 0.000 2.081 536 R HA -0.204 4.128 4.340 -0.012 0.000 0.235 536 R C 2.285 178.556 176.300 -0.048 0.000 1.131 536 R CA 1.746 57.857 56.100 0.017 0.000 0.960 536 R CB -0.610 29.741 30.300 0.085 0.000 0.856 536 R HN 0.563 nan 8.270 nan 0.000 0.436 537 E N 0.516 120.703 120.200 -0.022 0.000 2.051 537 E HA -0.184 4.159 4.350 -0.012 0.000 0.192 537 E C 1.965 178.537 176.600 -0.046 0.000 0.991 537 E CA 0.980 57.371 56.400 -0.015 0.000 0.799 537 E CB 0.086 29.787 29.700 0.001 0.000 0.748 537 E HN 0.046 nan 8.360 nan 0.000 0.449 538 L N 0.785 121.954 121.223 -0.091 0.000 2.017 538 L HA -0.180 4.152 4.340 -0.012 0.000 0.208 538 L C 2.843 179.621 176.870 -0.153 0.000 1.073 538 L CA 2.319 57.093 54.840 -0.110 0.000 0.745 538 L CB -1.093 40.890 42.059 -0.127 0.000 0.894 538 L HN 0.355 nan 8.230 nan 0.000 0.432 539 T N -3.390 110.992 114.554 -0.286 0.000 2.821 539 T HA -0.214 4.129 4.350 -0.012 0.000 0.267 539 T C 1.962 176.579 174.700 -0.139 0.000 1.046 539 T CA 1.211 63.136 62.100 -0.292 0.000 1.139 539 T CB -0.218 68.334 68.868 -0.527 0.000 0.871 539 T HN 0.027 nan 8.240 nan 0.000 0.454 540 K N 1.517 121.862 120.400 -0.090 0.000 2.032 540 K HA 0.070 4.383 4.320 -0.012 0.000 0.209 540 K C 2.192 178.817 176.600 0.040 0.000 1.048 540 K CA 1.399 57.675 56.287 -0.018 0.000 0.927 540 K CB -0.885 31.628 32.500 0.022 0.000 0.712 540 K HN 0.472 nan 8.250 nan 0.000 0.441 541 L N 0.295 121.569 121.223 0.085 0.000 2.072 541 L HA -0.079 4.254 4.340 -0.012 0.000 0.205 541 L C 2.662 179.631 176.870 0.165 0.000 1.079 541 L CA 1.400 56.372 54.840 0.220 0.000 0.752 541 L CB -0.452 41.684 42.059 0.128 0.000 0.906 541 L HN 0.250 nan 8.230 nan 0.000 0.436 542 K N 0.376 120.800 120.400 0.041 0.000 2.057 542 K HA -0.170 4.143 4.320 -0.012 0.000 0.206 542 K C 2.317 178.912 176.600 -0.007 0.000 1.050 542 K CA 1.748 58.042 56.287 0.011 0.000 0.935 542 K CB 0.014 32.492 32.500 -0.037 0.000 0.715 542 K HN 0.320 nan 8.250 nan 0.000 0.439 543 S N -1.006 114.669 115.700 -0.042 0.000 2.461 543 S HA -0.035 4.428 4.470 -0.012 0.000 0.228 543 S C 1.661 176.194 174.600 -0.112 0.000 1.005 543 S CA 1.220 59.381 58.200 -0.064 0.000 0.942 543 S CB 0.066 63.226 63.200 -0.067 0.000 0.776 543 S HN 0.265 nan 8.310 nan 0.000 0.514 544 T N 0.013 114.454 114.554 -0.189 0.000 3.039 544 T HA 0.299 4.642 4.350 -0.012 0.000 0.250 544 T C 0.743 175.104 174.700 -0.566 0.000 1.052 544 T CA 0.611 62.434 62.100 -0.461 0.000 1.125 544 T CB -0.116 68.301 68.868 -0.752 0.000 0.908 544 T HN 0.575 nan 8.240 nan 0.000 0.473 545 Y N -0.271 120.053 120.300 0.039 0.000 2.921 545 Y HA 0.465 5.008 4.550 -0.012 0.000 0.246 545 Y C 1.961 177.895 175.900 0.058 0.000 1.030 545 Y CA -0.721 57.423 58.100 0.073 0.000 1.338 545 Y CB -0.220 38.300 38.460 0.099 0.000 1.493 545 Y HN -0.041 nan 8.280 nan 0.000 0.452 546 I N 0.770 121.465 120.570 0.208 0.000 2.163 546 I HA -0.292 3.870 4.170 -0.012 0.000 0.243 546 I C 1.426 177.579 176.117 0.060 0.000 1.085 546 I CA 1.876 63.243 61.300 0.111 0.000 1.347 546 I CB -0.187 37.850 38.000 0.061 0.000 1.044 546 I HN 0.287 nan 8.210 nan 0.000 0.408 547 D N 0.119 120.540 120.400 0.035 0.000 2.149 547 D HA -0.030 4.602 4.640 -0.012 0.000 0.206 547 D C -0.391 175.914 176.300 0.007 0.000 0.967 547 D CA 1.066 55.072 54.000 0.009 0.000 0.848 547 D CB -1.549 39.245 40.800 -0.009 0.000 0.998 547 D HN 0.233 nan 8.370 nan 0.000 0.474 548 P HA -0.021 nan 4.420 nan 0.000 0.216 548 P C 1.835 179.148 177.300 0.021 0.000 1.153 548 P CA 0.700 63.796 63.100 -0.006 0.000 0.844 548 P CB 0.054 31.737 31.700 -0.028 0.000 0.787 549 L N -0.617 120.641 121.223 0.058 0.000 2.046 549 L HA -0.095 4.238 4.340 -0.012 0.000 0.208 549 L C -0.369 176.531 176.870 0.050 0.000 1.077 549 L CA 1.941 56.828 54.840 0.079 0.000 0.747 549 L CB -2.269 39.863 42.059 0.121 0.000 0.896 549 L HN 0.043 nan 8.230 nan 0.000 0.432 550 P HA -0.136 nan 4.420 nan 0.000 0.220 550 P C 0.685 178.007 177.300 0.036 0.000 1.148 550 P CA 1.225 64.342 63.100 0.028 0.000 0.803 550 P CB -0.027 31.687 31.700 0.022 0.000 0.782 551 D N -1.279 119.135 120.400 0.023 0.000 2.363 551 D HA 0.033 4.666 4.640 -0.012 0.000 0.226 551 D C 1.268 177.579 176.300 0.018 0.000 1.020 551 D CA 0.617 54.621 54.000 0.007 0.000 0.892 551 D CB -0.124 40.659 40.800 -0.028 0.000 0.900 551 D HN 0.260 nan 8.370 nan 0.000 0.531 552 L N 0.515 121.783 121.223 0.075 0.000 2.769 552 L HA 0.160 4.493 4.340 -0.012 0.000 0.240 552 L C 0.196 177.290 176.870 0.373 0.000 1.163 552 L CA -0.275 54.665 54.840 0.166 0.000 0.962 552 L CB 0.582 42.730 42.059 0.149 0.000 1.258 552 L HN -0.165 nan 8.230 nan 0.000 0.513 553 I N 0.451 121.182 120.570 0.269 0.000 2.533 553 I HA -0.017 4.146 4.170 -0.012 0.000 0.284 553 I C 0.782 177.121 176.117 0.371 0.000 1.109 553 I CA 0.285 61.745 61.300 0.268 0.000 1.412 553 I CB 0.065 38.150 38.000 0.143 0.000 1.396 553 I HN 0.110 nan 8.210 nan 0.000 0.543 554 H N 9.386 128.587 119.070 0.219 0.000 2.683 554 H HA 0.140 4.689 4.556 -0.012 0.000 0.339 554 H C -1.585 173.733 175.328 -0.016 0.000 1.081 554 H CA -1.270 54.747 56.048 -0.052 0.000 1.432 554 H CB 1.792 31.366 29.762 -0.314 0.000 1.462 554 H HN 0.331 nan 8.280 nan 0.000 0.557 555 P HA -0.107 nan 4.420 nan 0.000 0.217 555 P C 1.494 178.819 177.300 0.041 0.000 1.150 555 P CA 1.057 64.113 63.100 -0.074 0.000 0.832 555 P CB 0.442 32.060 31.700 -0.138 0.000 0.787 556 R N -0.263 120.348 120.500 0.185 0.000 2.073 556 R HA -0.042 4.291 4.340 -0.012 0.000 0.229 556 R C 2.390 178.750 176.300 0.099 0.000 1.120 556 R CA 2.144 58.333 56.100 0.147 0.000 0.967 556 R CB -0.583 29.801 30.300 0.139 0.000 0.862 556 R HN 0.304 nan 8.270 nan 0.000 0.436 557 T N -4.147 110.491 114.554 0.140 0.000 3.044 557 T HA 0.122 4.465 4.350 -0.012 0.000 0.255 557 T C 1.372 176.116 174.700 0.074 0.000 1.073 557 T CA 0.695 62.836 62.100 0.069 0.000 1.125 557 T CB 0.531 69.478 68.868 0.132 0.000 0.908 557 T HN 0.364 nan 8.240 nan 0.000 0.480 558 G N 1.610 110.474 108.800 0.108 0.000 2.168 558 G HA2 -0.261 3.692 3.960 -0.012 0.000 0.257 558 G HA3 -0.261 3.692 3.960 -0.012 0.000 0.257 558 G C 0.110 175.038 174.900 0.048 0.000 0.997 558 G CA 0.396 45.536 45.100 0.068 0.000 0.708 558 G HN 0.753 nan 8.290 nan 0.000 0.520 559 R N -1.731 118.817 120.500 0.080 0.000 2.905 559 R HA 0.773 5.106 4.340 -0.012 0.000 0.260 559 R C -0.828 175.464 176.300 -0.015 0.000 1.086 559 R CA -1.132 54.944 56.100 -0.040 0.000 0.978 559 R CB 1.162 31.352 30.300 -0.184 0.000 1.215 559 R HN 0.174 nan 8.270 nan 0.000 0.480 560 L N 1.532 122.679 121.223 -0.127 0.000 2.289 560 L HA 0.352 4.685 4.340 -0.012 0.000 0.285 560 L C -1.054 175.715 176.870 -0.169 0.000 1.049 560 L CA 0.096 54.934 54.840 -0.002 0.000 0.804 560 L CB 0.848 42.926 42.059 0.032 0.000 1.195 560 L HN 0.488 nan 8.230 nan 0.000 0.428 561 H N 3.288 122.433 119.070 0.125 0.000 2.589 561 H HA 0.288 4.837 4.556 -0.012 0.000 0.335 561 H C -0.521 174.857 175.328 0.084 0.000 1.019 561 H CA -0.504 55.587 56.048 0.071 0.000 1.213 561 H CB 1.903 31.662 29.762 -0.005 0.000 1.472 561 H HN 0.604 nan 8.280 nan 0.000 0.508 562 T N 2.406 117.006 114.554 0.077 0.000 2.897 562 T HA 0.457 4.800 4.350 -0.012 0.000 0.278 562 T C 0.042 174.666 174.700 -0.127 0.000 0.981 562 T CA -0.722 61.337 62.100 -0.069 0.000 0.973 562 T CB 0.911 69.610 68.868 -0.281 0.000 1.092 562 T HN 0.578 nan 8.240 nan 0.000 0.543 563 R N 0.930 121.303 120.500 -0.210 0.000 2.494 563 R HA 0.442 4.775 4.340 -0.012 0.000 0.305 563 R C -1.302 174.801 176.300 -0.328 0.000 0.959 563 R CA -0.505 55.506 56.100 -0.149 0.000 0.864 563 R CB 1.169 31.453 30.300 -0.027 0.000 1.159 563 R HN 0.430 nan 8.270 nan 0.000 0.446 564 F N 2.326 122.292 119.950 0.026 0.000 2.313 564 F HA 0.263 4.783 4.527 -0.012 0.000 0.369 564 F C 0.327 176.124 175.800 -0.006 0.000 1.109 564 F CA -0.793 57.212 58.000 0.009 0.000 1.132 564 F CB 0.728 39.725 39.000 -0.005 0.000 1.291 564 F HN 0.255 nan 8.300 nan 0.000 0.496 565 N N 3.867 122.637 118.700 0.117 0.000 2.442 565 N HA 0.018 4.751 4.740 -0.012 0.000 0.265 565 N C 0.740 176.256 175.510 0.009 0.000 1.138 565 N CA -0.014 53.060 53.050 0.041 0.000 0.956 565 N CB 1.491 39.985 38.487 0.011 0.000 1.067 565 N HN 0.738 nan 8.380 nan 0.000 0.474 566 Q N 0.702 120.466 119.800 -0.060 0.000 2.396 566 Q HA 0.010 4.343 4.340 -0.012 0.000 0.209 566 Q C -0.034 175.710 176.000 -0.427 0.000 0.906 566 Q CA 0.583 56.310 55.803 -0.126 0.000 0.927 566 Q CB 0.532 29.227 28.738 -0.072 0.000 1.069 566 Q HN 0.701 nan 8.270 nan 0.000 0.523 567 T N -3.287 110.956 114.554 -0.517 0.000 3.532 567 T HA 0.674 5.017 4.350 -0.012 0.000 0.241 567 T C 0.101 174.509 174.700 -0.486 0.000 1.238 567 T CA -0.040 61.425 62.100 -1.058 0.000 1.405 567 T CB 1.272 69.758 68.868 -0.636 0.000 0.971 567 T HN 0.104 nan 8.240 nan 0.000 0.640 568 A N 1.262 123.920 122.820 -0.270 0.000 2.226 568 A HA 0.531 4.844 4.320 -0.012 0.000 0.207 568 A C 1.190 178.827 177.584 0.089 0.000 1.293 568 A CA 0.446 52.463 52.037 -0.032 0.000 0.968 568 A CB 0.356 19.348 19.000 -0.012 0.000 1.044 568 A HN 0.761 nan 8.150 nan 0.000 0.493 569 T N -4.354 110.307 114.554 0.178 0.000 2.932 569 T HA 0.656 4.999 4.350 -0.012 0.000 0.289 569 T C 0.761 175.612 174.700 0.251 0.000 1.039 569 T CA 0.064 62.278 62.100 0.189 0.000 1.024 569 T CB 1.782 70.739 68.868 0.149 0.000 1.090 569 T HN 0.583 nan 8.240 nan 0.000 0.496 570 A N 0.662 123.561 122.820 0.132 0.000 2.208 570 A HA 0.197 4.510 4.320 -0.012 0.000 0.209 570 A C 2.059 179.667 177.584 0.040 0.000 1.161 570 A CA 1.181 53.267 52.037 0.082 0.000 0.782 570 A CB -0.913 18.115 19.000 0.047 0.000 0.816 570 A HN 1.073 nan 8.150 nan 0.000 0.477 571 T N -6.347 108.243 114.554 0.060 0.000 2.971 571 T HA 0.447 4.790 4.350 -0.012 0.000 0.252 571 T C 1.331 176.071 174.700 0.067 0.000 1.022 571 T CA 1.125 63.245 62.100 0.033 0.000 0.980 571 T CB 0.574 69.445 68.868 0.005 0.000 1.044 571 T HN 1.457 nan 8.240 nan 0.000 0.501 572 G N 1.526 110.415 108.800 0.149 0.000 2.211 572 G HA2 -0.177 3.776 3.960 -0.012 0.000 0.201 572 G HA3 -0.177 3.776 3.960 -0.012 0.000 0.201 572 G C 0.201 175.226 174.900 0.208 0.000 0.997 572 G CA -0.445 44.780 45.100 0.208 0.000 0.652 572 G HN 0.602 nan 8.290 nan 0.000 0.500 573 R N 0.170 120.770 120.500 0.167 0.000 2.734 573 R HA 0.478 4.811 4.340 -0.012 0.000 0.266 573 R C 1.015 177.432 176.300 0.194 0.000 1.044 573 R CA -0.073 56.132 56.100 0.175 0.000 1.128 573 R CB 0.337 30.718 30.300 0.135 0.000 1.010 573 R HN 0.310 nan 8.270 nan 0.000 0.461 574 L N 0.736 122.083 121.223 0.207 0.000 2.475 574 L HA 0.186 4.519 4.340 -0.012 0.000 0.253 574 L C 0.814 177.826 176.870 0.236 0.000 1.198 574 L CA -0.023 54.931 54.840 0.189 0.000 0.814 574 L CB 0.861 43.032 42.059 0.187 0.000 1.134 574 L HN 0.751 nan 8.230 nan 0.000 0.478 575 S N -0.614 115.201 115.700 0.192 0.000 2.704 575 S HA 0.686 5.149 4.470 -0.012 0.000 0.296 575 S C -0.761 173.918 174.600 0.131 0.000 1.138 575 S CA -0.728 57.581 58.200 0.181 0.000 0.875 575 S CB 1.998 65.270 63.200 0.121 0.000 1.151 575 S HN 0.551 nan 8.310 nan 0.000 0.500 576 S N 0.321 116.052 115.700 0.052 0.000 2.547 576 S HA 0.817 5.280 4.470 -0.012 0.000 0.281 576 S C -1.014 173.545 174.600 -0.067 0.000 1.118 576 S CA -0.140 57.991 58.200 -0.115 0.000 0.947 576 S CB 1.022 64.109 63.200 -0.187 0.000 1.053 576 S HN 1.750 nan 8.310 nan 0.000 0.482 577 S N 2.416 118.057 115.700 -0.098 0.000 2.570 577 S HA 0.640 5.103 4.470 -0.012 0.000 0.270 577 S C -1.548 173.042 174.600 -0.018 0.000 1.149 577 S CA -0.710 57.471 58.200 -0.032 0.000 0.837 577 S CB 1.414 64.610 63.200 -0.006 0.000 1.124 577 S HN 0.758 nan 8.310 nan 0.000 0.465 578 D N 0.390 120.798 120.400 0.014 0.000 2.739 578 D HA -0.066 4.567 4.640 -0.012 0.000 0.240 578 D C -2.516 173.836 176.300 0.087 0.000 1.114 578 D CA 0.773 54.798 54.000 0.042 0.000 0.695 578 D CB -1.413 39.421 40.800 0.057 0.000 1.078 578 D HN 0.587 nan 8.370 nan 0.000 0.434 579 P HA 0.176 nan 4.420 nan 0.000 0.283 579 P C -0.038 177.289 177.300 0.045 0.000 1.271 579 P CA -0.637 62.502 63.100 0.065 0.000 0.841 579 P CB 0.881 32.647 31.700 0.110 0.000 1.122 580 N N 1.364 120.093 118.700 0.050 0.000 2.438 580 N HA 0.037 4.770 4.740 -0.012 0.000 0.267 580 N C 0.455 176.034 175.510 0.115 0.000 1.222 580 N CA 0.243 53.325 53.050 0.053 0.000 0.930 580 N CB -0.431 38.100 38.487 0.072 0.000 1.083 580 N HN 0.343 nan 8.380 nan 0.000 0.476 581 L N 2.748 124.014 121.223 0.072 0.000 2.728 581 L HA 0.162 4.495 4.340 -0.012 0.000 0.238 581 L C 1.253 178.224 176.870 0.168 0.000 1.143 581 L CA 0.118 55.044 54.840 0.144 0.000 0.937 581 L CB 0.130 42.268 42.059 0.132 0.000 1.225 581 L HN 0.521 nan 8.230 nan 0.000 0.507 582 Q N 0.621 120.495 119.800 0.122 0.000 2.360 582 Q HA 0.030 4.362 4.340 -0.012 0.000 0.202 582 Q C 0.581 176.652 176.000 0.119 0.000 0.915 582 Q CA 0.287 56.157 55.803 0.112 0.000 0.943 582 Q CB 0.219 28.979 28.738 0.036 0.000 1.064 582 Q HN 0.652 nan 8.270 nan 0.000 0.511 583 N N -1.073 117.700 118.700 0.122 0.000 2.451 583 N HA 0.136 4.869 4.740 -0.012 0.000 0.271 583 N C -0.459 175.077 175.510 0.043 0.000 1.410 583 N CA -0.335 52.780 53.050 0.108 0.000 0.884 583 N CB 0.605 39.195 38.487 0.172 0.000 1.332 583 N HN -0.111 nan 8.380 nan 0.000 0.498 584 I N 1.856 122.360 120.570 -0.110 0.000 2.710 584 I HA 0.157 4.320 4.170 -0.012 0.000 0.286 584 I C -1.680 174.134 176.117 -0.504 0.000 1.181 584 I CA -2.034 59.035 61.300 -0.385 0.000 1.430 584 I CB -0.327 37.366 38.000 -0.512 0.000 1.367 584 I HN 0.142 nan 8.210 nan 0.000 0.577 585 P HA 0.056 nan 4.420 nan 0.000 0.269 585 P C 0.480 177.577 177.300 -0.339 0.000 1.217 585 P CA 0.237 63.082 63.100 -0.425 0.000 0.783 585 P CB 1.089 32.533 31.700 -0.427 0.000 0.898 586 V N 1.240 121.014 119.914 -0.233 0.000 3.524 586 V HA 0.042 4.155 4.120 -0.012 0.000 0.257 586 V C 1.856 177.876 176.094 -0.123 0.000 1.775 586 V CA 0.552 62.725 62.300 -0.210 0.000 1.072 586 V CB -0.205 31.459 31.823 -0.265 0.000 0.940 586 V HN 0.479 nan 8.190 nan 0.000 0.357 587 R N 1.289 121.735 120.500 -0.091 0.000 2.055 587 R HA 0.055 4.388 4.340 -0.012 0.000 0.226 587 R C 1.288 177.567 176.300 -0.035 0.000 1.135 587 R CA 1.829 57.900 56.100 -0.048 0.000 0.959 587 R CB -0.235 30.049 30.300 -0.026 0.000 0.854 587 R HN 0.617 nan 8.270 nan 0.000 0.431 588 T N -2.118 112.416 114.554 -0.034 0.000 2.862 588 T HA 0.310 4.653 4.350 -0.012 0.000 0.276 588 T C -1.973 172.714 174.700 -0.022 0.000 0.974 588 T CA -1.826 60.262 62.100 -0.019 0.000 0.966 588 T CB 1.517 70.379 68.868 -0.011 0.000 1.072 588 T HN -0.062 nan 8.240 nan 0.000 0.538 589 P HA -0.026 nan 4.420 nan 0.000 0.216 589 P C 1.676 178.974 177.300 -0.003 0.000 1.153 589 P CA 0.314 63.410 63.100 -0.006 0.000 0.848 589 P CB -0.067 31.633 31.700 -0.001 0.000 0.787 590 L N -0.184 121.035 121.223 -0.007 0.000 2.093 590 L HA 0.053 4.386 4.340 -0.012 0.000 0.208 590 L C 2.221 179.084 176.870 -0.012 0.000 1.085 590 L CA 2.213 57.050 54.840 -0.005 0.000 0.755 590 L CB -1.713 40.341 42.059 -0.009 0.000 0.904 590 L HN -0.053 nan 8.230 nan 0.000 0.435 591 G N -1.247 107.531 108.800 -0.036 0.000 2.442 591 G HA2 -0.283 3.670 3.960 -0.012 0.000 0.219 591 G HA3 -0.283 3.670 3.960 -0.012 0.000 0.219 591 G C 1.462 176.315 174.900 -0.079 0.000 1.141 591 G CA 0.796 45.846 45.100 -0.083 0.000 0.763 591 G HN 0.550 nan 8.290 nan 0.000 0.554 592 Q N -0.458 119.313 119.800 -0.049 0.000 2.119 592 Q HA 0.040 4.373 4.340 -0.012 0.000 0.201 592 Q C 2.743 178.760 176.000 0.028 0.000 0.972 592 Q CA 0.580 56.360 55.803 -0.037 0.000 0.847 592 Q CB -0.099 28.622 28.738 -0.028 0.000 0.903 592 Q HN 0.372 nan 8.270 nan 0.000 0.433 593 R N 0.410 120.947 120.500 0.062 0.000 2.091 593 R HA -0.144 4.189 4.340 -0.012 0.000 0.238 593 R C 2.139 178.583 176.300 0.240 0.000 1.136 593 R CA 1.359 57.554 56.100 0.158 0.000 0.959 593 R CB -0.196 30.167 30.300 0.106 0.000 0.856 593 R HN 0.272 nan 8.270 nan 0.000 0.437 594 I N -0.373 120.282 120.570 0.141 0.000 2.315 594 I HA -0.245 3.918 4.170 -0.012 0.000 0.248 594 I C 2.603 178.867 176.117 0.245 0.000 1.117 594 I CA 0.972 62.382 61.300 0.183 0.000 1.404 594 I CB -0.216 37.823 38.000 0.065 0.000 1.071 594 I HN 0.145 nan 8.210 nan 0.000 0.419 595 R N 1.231 121.798 120.500 0.112 0.000 2.152 595 R HA -0.117 4.216 4.340 -0.012 0.000 0.232 595 R C 2.283 178.739 176.300 0.260 0.000 1.117 595 R CA 1.125 57.287 56.100 0.104 0.000 0.981 595 R CB -0.063 30.122 30.300 -0.192 0.000 0.870 595 R HN 0.261 nan 8.270 nan 0.000 0.451 596 R N -0.346 120.251 120.500 0.162 0.000 2.237 596 R HA -0.042 4.291 4.340 -0.012 0.000 0.219 596 R C 1.982 178.268 176.300 -0.024 0.000 1.080 596 R CA 0.886 57.024 56.100 0.064 0.000 0.995 596 R CB -0.097 30.186 30.300 -0.028 0.000 0.875 596 R HN 0.228 nan 8.270 nan 0.000 0.462 597 A N 0.638 123.510 122.820 0.087 0.000 2.121 597 A HA -0.050 4.263 4.320 -0.012 0.000 0.218 597 A C 0.340 177.875 177.584 -0.081 0.000 1.154 597 A CA 0.569 52.582 52.037 -0.039 0.000 0.679 597 A CB -0.113 18.942 19.000 0.092 0.000 0.795 597 A HN 0.093 nan 8.150 nan 0.000 0.458 598 F N 1.134 121.146 119.950 0.104 0.000 2.404 598 F HA 0.468 4.988 4.527 -0.011 0.000 0.359 598 F C 0.387 176.229 175.800 0.071 0.000 1.134 598 F CA -0.686 57.393 58.000 0.132 0.000 1.160 598 F CB 0.296 39.490 39.000 0.323 0.000 1.186 598 F HN 0.217 nan 8.300 nan 0.000 0.526 599 I N 0.016 120.643 120.570 0.095 0.000 3.067 599 I HA 0.961 5.123 4.170 -0.012 0.000 0.312 599 I C -0.425 175.700 176.117 0.014 0.000 1.073 599 I CA -1.496 59.830 61.300 0.043 0.000 1.016 599 I CB 1.716 39.706 38.000 -0.016 0.000 1.227 599 I HN 0.394 nan 8.210 nan 0.000 0.456 600 A N 1.665 124.497 122.820 0.020 0.000 2.286 600 A HA 0.334 4.647 4.320 -0.012 0.000 0.286 600 A C -0.010 177.570 177.584 -0.007 0.000 1.097 600 A CA -0.413 51.635 52.037 0.018 0.000 0.821 600 A CB 0.560 19.612 19.000 0.087 0.000 1.076 600 A HN 0.867 nan 8.150 nan 0.000 0.490 601 E N 0.605 120.760 120.200 -0.075 0.000 2.398 601 E HA 0.102 4.445 4.350 -0.012 0.000 0.263 601 E C -0.574 176.071 176.600 0.075 0.000 1.046 601 E CA -0.154 56.179 56.400 -0.111 0.000 0.908 601 E CB 0.329 29.779 29.700 -0.417 0.000 0.963 601 E HN 0.589 nan 8.360 nan 0.000 0.431 602 E N 1.569 121.812 120.200 0.072 0.000 2.652 602 E HA 0.061 4.404 4.350 -0.012 0.000 0.255 602 E C 0.786 177.538 176.600 0.253 0.000 0.952 602 E CA 1.391 57.864 56.400 0.122 0.000 0.947 602 E CB 0.134 29.879 29.700 0.076 0.000 0.912 602 E HN 0.808 nan 8.360 nan 0.000 0.489 603 G N 1.195 110.113 108.800 0.196 0.000 2.159 603 G HA2 -0.263 3.690 3.960 -0.012 0.000 0.256 603 G HA3 -0.263 3.690 3.960 -0.012 0.000 0.256 603 G C -0.566 174.405 174.900 0.117 0.000 0.977 603 G CA -0.013 45.176 45.100 0.149 0.000 0.652 603 G HN 0.405 nan 8.290 nan 0.000 0.531 604 W N -0.875 120.413 121.300 -0.020 0.000 2.967 604 W HA 0.846 5.499 4.660 -0.012 0.000 0.342 604 W C 0.116 176.622 176.519 -0.022 0.000 1.162 604 W CA -1.098 56.233 57.345 -0.025 0.000 1.085 604 W CB 1.047 30.489 29.460 -0.029 0.000 1.460 604 W HN 0.080 nan 8.180 nan 0.000 0.584 605 L N 1.423 122.783 121.223 0.229 0.000 2.393 605 L HA 0.511 4.843 4.340 -0.012 0.000 0.260 605 L C -0.622 176.318 176.870 0.117 0.000 1.002 605 L CA -1.131 53.784 54.840 0.125 0.000 0.818 605 L CB 1.744 43.839 42.059 0.059 0.000 1.369 605 L HN 0.113 nan 8.230 nan 0.000 0.412 606 L N 2.226 123.491 121.223 0.070 0.000 2.371 606 L HA 0.474 4.807 4.340 -0.012 0.000 0.272 606 L C -0.658 176.225 176.870 0.022 0.000 1.124 606 L CA -0.661 54.196 54.840 0.028 0.000 0.816 606 L CB 1.466 43.525 42.059 -0.000 0.000 1.129 606 L HN 0.238 nan 8.230 nan 0.000 0.448 607 V N 2.284 122.198 119.914 -0.001 0.000 2.444 607 V HA 0.607 4.720 4.120 -0.012 0.000 0.294 607 V C 0.019 176.103 176.094 -0.017 0.000 1.022 607 V CA -0.568 61.731 62.300 -0.001 0.000 0.850 607 V CB 1.551 33.371 31.823 -0.005 0.000 0.992 607 V HN 0.846 nan 8.190 nan 0.000 0.426 608 A N 6.220 129.048 122.820 0.014 0.000 2.287 608 A HA 0.933 5.246 4.320 -0.012 0.000 0.317 608 A C -1.073 176.527 177.584 0.027 0.000 1.220 608 A CA -0.400 51.658 52.037 0.035 0.000 0.835 608 A CB 0.702 19.783 19.000 0.135 0.000 1.180 608 A HN 0.731 nan 8.150 nan 0.000 0.500 609 L N 2.414 123.636 121.223 -0.002 0.000 2.362 609 L HA 0.593 4.926 4.340 -0.012 0.000 0.275 609 L C -0.494 176.349 176.870 -0.046 0.000 0.998 609 L CA -0.222 54.591 54.840 -0.044 0.000 0.820 609 L CB 2.086 44.085 42.059 -0.101 0.000 1.270 609 L HN 0.671 nan 8.230 nan 0.000 0.415 610 D N 1.539 121.914 120.400 -0.041 0.000 2.788 610 D HA 0.221 4.854 4.640 -0.012 0.000 0.247 610 D C -1.123 175.188 176.300 0.020 0.000 1.236 610 D CA -0.494 53.519 54.000 0.021 0.000 0.898 610 D CB 1.234 42.090 40.800 0.094 0.000 1.401 610 D HN 0.216 nan 8.370 nan 0.000 0.549 611 Y N 1.295 121.644 120.300 0.082 0.000 2.610 611 Y HA 0.054 4.596 4.550 -0.013 0.000 0.332 611 Y C 1.422 177.379 175.900 0.095 0.000 1.201 611 Y CA 0.517 58.660 58.100 0.073 0.000 1.465 611 Y CB 0.755 39.252 38.460 0.062 0.000 1.283 611 Y HN 0.162 nan 8.280 nan 0.000 0.563 612 S N 3.510 119.364 115.700 0.256 0.000 2.505 612 S HA 0.088 4.550 4.470 -0.012 0.000 0.276 612 S C -0.100 174.620 174.600 0.200 0.000 1.274 612 S CA -0.619 57.705 58.200 0.207 0.000 1.053 612 S CB -0.024 63.272 63.200 0.160 0.000 0.919 612 S HN 0.762 nan 8.310 nan 0.000 0.490 613 Q N 2.837 122.796 119.800 0.265 0.000 2.395 613 Q HA -0.226 4.107 4.340 -0.012 0.000 0.326 613 Q C 0.733 176.851 176.000 0.197 0.000 1.302 613 Q CA 0.747 56.719 55.803 0.282 0.000 0.949 613 Q CB -1.623 27.204 28.738 0.147 0.000 1.204 613 Q HN 0.825 nan 8.270 nan 0.000 0.444 614 I N -0.270 120.415 120.570 0.191 0.000 2.286 614 I HA -0.241 3.922 4.170 -0.012 0.000 0.245 614 I C 1.975 178.094 176.117 0.004 0.000 1.104 614 I CA 1.506 62.822 61.300 0.026 0.000 1.397 614 I CB 0.125 38.116 38.000 -0.014 0.000 1.072 614 I HN 0.399 nan 8.210 nan 0.000 0.417 615 E N 0.435 120.711 120.200 0.126 0.000 2.204 615 E HA -0.185 4.157 4.350 -0.012 0.000 0.194 615 E C 2.246 178.948 176.600 0.169 0.000 0.989 615 E CA 0.873 57.358 56.400 0.141 0.000 0.824 615 E CB 0.060 29.864 29.700 0.174 0.000 0.756 615 E HN 0.523 nan 8.360 nan 0.000 0.477 616 L N 0.240 121.604 121.223 0.234 0.000 2.056 616 L HA -0.151 4.182 4.340 -0.012 0.000 0.207 616 L C 2.469 179.295 176.870 -0.073 0.000 1.078 616 L CA 1.092 56.021 54.840 0.149 0.000 0.749 616 L CB -0.289 41.922 42.059 0.253 0.000 0.901 616 L HN 0.050 nan 8.230 nan 0.000 0.433 617 R N -0.603 119.656 120.500 -0.401 0.000 2.092 617 R HA -0.105 4.228 4.340 -0.012 0.000 0.231 617 R C 2.260 178.375 176.300 -0.308 0.000 1.119 617 R CA 1.006 56.681 56.100 -0.708 0.000 0.970 617 R CB -0.457 29.377 30.300 -0.778 0.000 0.864 617 R HN 0.155 nan 8.270 nan 0.000 0.440 618 V N 1.507 121.300 119.914 -0.200 0.000 2.343 618 V HA -0.228 3.885 4.120 -0.012 0.000 0.247 618 V C 2.195 178.201 176.094 -0.147 0.000 1.051 618 V CA 1.495 63.710 62.300 -0.142 0.000 1.036 618 V CB -0.422 31.337 31.823 -0.106 0.000 0.654 618 V HN 0.239 nan 8.190 nan 0.000 0.451 619 L N 0.932 122.067 121.223 -0.147 0.000 2.042 619 L HA -0.133 4.200 4.340 -0.012 0.000 0.210 619 L C 2.456 179.181 176.870 -0.241 0.000 1.076 619 L CA 2.408 57.103 54.840 -0.242 0.000 0.749 619 L CB -0.926 41.063 42.059 -0.117 0.000 0.893 619 L HN 0.231 nan 8.230 nan 0.000 0.432 620 A N -1.358 121.385 122.820 -0.129 0.000 1.908 620 A HA -0.327 3.986 4.320 -0.012 0.000 0.218 620 A C 2.293 179.829 177.584 -0.081 0.000 1.181 620 A CA 2.006 53.999 52.037 -0.074 0.000 0.627 620 A CB -1.054 17.959 19.000 0.022 0.000 0.818 620 A HN 0.740 nan 8.150 nan 0.000 0.445 621 H N -0.436 118.529 119.070 -0.174 0.000 2.363 621 H HA 0.098 4.647 4.556 -0.012 0.000 0.301 621 H C 1.765 176.985 175.328 -0.181 0.000 1.074 621 H CA 1.700 57.660 56.048 -0.148 0.000 1.354 621 H CB -0.149 29.531 29.762 -0.137 0.000 1.397 621 H HN 0.356 nan 8.280 nan 0.000 0.516 622 L N -0.236 120.841 121.223 -0.244 0.000 2.056 622 L HA -0.114 4.219 4.340 -0.012 0.000 0.207 622 L C 2.675 179.247 176.870 -0.495 0.000 1.078 622 L CA 1.389 55.996 54.840 -0.387 0.000 0.749 622 L CB -0.494 41.208 42.059 -0.595 0.000 0.901 622 L HN 0.435 nan 8.230 nan 0.000 0.433 623 S N -0.720 114.651 115.700 -0.548 0.000 2.388 623 S HA 0.059 4.522 4.470 -0.012 0.000 0.223 623 S C 1.654 176.197 174.600 -0.095 0.000 1.034 623 S CA 0.613 58.638 58.200 -0.292 0.000 0.963 623 S CB 0.121 63.191 63.200 -0.217 0.000 0.827 623 S HN 0.496 nan 8.310 nan 0.000 0.481 624 G N 1.358 110.084 108.800 -0.124 0.000 2.136 624 G HA2 -0.244 3.709 3.960 -0.012 0.000 0.242 624 G HA3 -0.244 3.709 3.960 -0.012 0.000 0.242 624 G C -0.313 174.574 174.900 -0.023 0.000 0.989 624 G CA 0.147 45.201 45.100 -0.076 0.000 0.682 624 G HN 0.761 nan 8.290 nan 0.000 0.522 625 D N -0.199 120.195 120.400 -0.009 0.000 2.450 625 D HA 0.432 5.065 4.640 -0.012 0.000 0.247 625 D C 1.489 177.810 176.300 0.035 0.000 1.162 625 D CA 0.179 54.200 54.000 0.035 0.000 0.879 625 D CB 0.553 41.392 40.800 0.066 0.000 1.163 625 D HN 0.320 nan 8.370 nan 0.000 0.472 626 E N 2.161 122.388 120.200 0.044 0.000 2.072 626 E HA -0.122 4.221 4.350 -0.012 0.000 0.190 626 E C 1.386 178.017 176.600 0.051 0.000 0.982 626 E CA 0.889 57.311 56.400 0.037 0.000 0.803 626 E CB -0.004 29.712 29.700 0.026 0.000 0.755 626 E HN 0.456 nan 8.360 nan 0.000 0.453 627 N N 0.196 118.950 118.700 0.091 0.000 2.120 627 N HA -0.141 4.592 4.740 -0.012 0.000 0.188 627 N C 1.551 177.141 175.510 0.133 0.000 1.024 627 N CA 0.640 53.769 53.050 0.133 0.000 0.852 627 N CB -0.287 38.314 38.487 0.190 0.000 1.003 627 N HN 0.084 nan 8.380 nan 0.000 0.424 628 L N 0.892 122.158 121.223 0.071 0.000 2.056 628 L HA 0.096 4.429 4.340 -0.012 0.000 0.207 628 L C 1.810 178.631 176.870 -0.082 0.000 1.078 628 L CA 1.134 55.821 54.840 -0.255 0.000 0.749 628 L CB -0.505 41.319 42.059 -0.390 0.000 0.901 628 L HN 0.133 nan 8.230 nan 0.000 0.433 629 I N -0.787 119.806 120.570 0.038 0.000 2.226 629 I HA -0.316 3.847 4.170 -0.012 0.000 0.245 629 I C 2.697 178.857 176.117 0.071 0.000 1.100 629 I CA 1.328 62.694 61.300 0.110 0.000 1.374 629 I CB -0.366 37.673 38.000 0.065 0.000 1.057 629 I HN 0.282 nan 8.210 nan 0.000 0.413 630 R N 0.732 121.242 120.500 0.017 0.000 2.096 630 R HA -0.146 4.187 4.340 -0.012 0.000 0.235 630 R C 2.301 178.569 176.300 -0.053 0.000 1.127 630 R CA 1.307 57.406 56.100 -0.002 0.000 0.968 630 R CB -0.129 30.170 30.300 -0.002 0.000 0.861 630 R HN 0.165 nan 8.270 nan 0.000 0.440 631 V N 0.538 120.362 119.914 -0.151 0.000 2.332 631 V HA -0.255 3.858 4.120 -0.012 0.000 0.248 631 V C 1.753 177.647 176.094 -0.334 0.000 1.055 631 V CA 1.826 63.935 62.300 -0.318 0.000 1.038 631 V CB -0.480 30.989 31.823 -0.589 0.000 0.651 631 V HN 0.265 nan 8.190 nan 0.000 0.450 632 F N -0.404 119.509 119.950 -0.061 0.000 2.780 632 F HA 0.059 4.581 4.527 -0.008 0.000 0.299 632 F C 2.271 178.056 175.800 -0.025 0.000 1.146 632 F CA 0.586 58.556 58.000 -0.049 0.000 1.428 632 F CB -0.299 38.666 39.000 -0.058 0.000 1.115 632 F HN 0.195 nan 8.300 nan 0.000 0.583 633 Q N -0.504 119.363 119.800 0.112 0.000 2.384 633 Q HA 0.024 4.357 4.340 -0.012 0.000 0.207 633 Q C 1.250 177.271 176.000 0.035 0.000 0.904 633 Q CA 0.367 56.213 55.803 0.072 0.000 0.933 633 Q CB 0.184 28.955 28.738 0.056 0.000 1.077 633 Q HN 0.478 nan 8.270 nan 0.000 0.522 634 E N -0.286 119.921 120.200 0.011 0.000 2.472 634 E HA 0.095 4.438 4.350 -0.012 0.000 0.196 634 E C 0.586 177.186 176.600 -0.001 0.000 1.033 634 E CA 0.312 56.709 56.400 -0.004 0.000 0.886 634 E CB 0.743 30.428 29.700 -0.025 0.000 0.944 634 E HN 0.396 nan 8.360 nan 0.000 0.492 635 G N 2.507 111.314 108.800 0.011 0.000 2.160 635 G HA2 -0.314 3.638 3.960 -0.012 0.000 0.244 635 G HA3 -0.314 3.638 3.960 -0.012 0.000 0.244 635 G C 0.011 174.905 174.900 -0.009 0.000 1.022 635 G CA 0.003 45.119 45.100 0.025 0.000 0.741 635 G HN 0.110 nan 8.290 nan 0.000 0.508 636 R N 0.082 120.541 120.500 -0.068 0.000 2.641 636 R HA 0.427 4.760 4.340 -0.012 0.000 0.269 636 R C -0.552 175.676 176.300 -0.120 0.000 1.074 636 R CA -0.226 55.814 56.100 -0.101 0.000 1.133 636 R CB 0.616 30.826 30.300 -0.150 0.000 1.029 636 R HN 0.164 nan 8.270 nan 0.000 0.488 637 D N 2.858 123.206 120.400 -0.086 0.000 2.461 637 D HA 0.103 4.736 4.640 -0.012 0.000 0.240 637 D C 0.949 177.186 176.300 -0.105 0.000 1.094 637 D CA -0.392 53.563 54.000 -0.076 0.000 0.868 637 D CB 0.894 41.696 40.800 0.003 0.000 1.062 637 D HN 0.306 nan 8.370 nan 0.000 0.530 638 I N 3.054 123.492 120.570 -0.219 0.000 2.361 638 I HA -0.208 3.955 4.170 -0.012 0.000 0.251 638 I C 1.839 177.924 176.117 -0.054 0.000 1.133 638 I CA 0.914 62.093 61.300 -0.200 0.000 1.413 638 I CB -0.828 36.977 38.000 -0.324 0.000 1.073 638 I HN 0.505 nan 8.210 nan 0.000 0.424 639 H N 0.571 119.632 119.070 -0.015 0.000 2.389 639 H HA -0.047 4.500 4.556 -0.014 0.000 0.299 639 H C 2.229 177.591 175.328 0.057 0.000 1.081 639 H CA 1.735 57.795 56.048 0.021 0.000 1.345 639 H CB -0.767 29.024 29.762 0.048 0.000 1.393 639 H HN 0.267 nan 8.280 nan 0.000 0.520 640 T N 0.661 115.312 114.554 0.161 0.000 2.904 640 T HA -0.059 4.284 4.350 -0.012 0.000 0.267 640 T C 1.828 176.599 174.700 0.119 0.000 1.059 640 T CA 0.885 63.058 62.100 0.122 0.000 1.137 640 T CB 0.102 69.018 68.868 0.080 0.000 0.879 640 T HN 0.478 nan 8.240 nan 0.000 0.467 641 E N 0.790 121.044 120.200 0.090 0.000 2.106 641 E HA -0.074 4.269 4.350 -0.012 0.000 0.192 641 E C 2.287 178.989 176.600 0.170 0.000 0.984 641 E CA 1.181 57.637 56.400 0.093 0.000 0.806 641 E CB -0.148 29.563 29.700 0.019 0.000 0.750 641 E HN 0.349 nan 8.360 nan 0.000 0.458 642 T N 0.829 115.489 114.554 0.177 0.000 2.857 642 T HA -0.071 4.272 4.350 -0.012 0.000 0.266 642 T C 1.953 176.853 174.700 0.333 0.000 1.048 642 T CA 0.961 63.215 62.100 0.256 0.000 1.139 642 T CB -0.106 68.903 68.868 0.235 0.000 0.874 642 T HN 0.221 nan 8.240 nan 0.000 0.455 643 A N 2.184 125.175 122.820 0.285 0.000 1.858 643 A HA -0.123 4.190 4.320 -0.012 0.000 0.216 643 A C 2.595 180.407 177.584 0.380 0.000 1.190 643 A CA 2.241 54.484 52.037 0.343 0.000 0.617 643 A CB -1.069 18.064 19.000 0.221 0.000 0.827 643 A HN 0.597 nan 8.150 nan 0.000 0.443 644 S N -2.012 113.848 115.700 0.266 0.000 2.400 644 S HA -0.243 4.220 4.470 -0.012 0.000 0.232 644 S C 1.743 176.491 174.600 0.247 0.000 1.025 644 S CA 1.429 59.760 58.200 0.217 0.000 0.993 644 S CB -0.788 62.503 63.200 0.152 0.000 0.808 644 S HN 0.777 nan 8.310 nan 0.000 0.478 645 W N 1.538 122.906 121.300 0.115 0.000 2.453 645 W HA 0.175 4.843 4.660 0.013 0.000 0.289 645 W C 2.205 178.753 176.519 0.048 0.000 1.215 645 W CA 0.842 58.241 57.345 0.089 0.000 1.297 645 W CB -0.123 29.409 29.460 0.120 0.000 1.113 645 W HN 0.194 nan 8.180 nan 0.000 0.551 646 M N -0.672 119.162 119.600 0.389 0.000 2.067 646 M HA -0.148 4.324 4.480 -0.012 0.000 0.260 646 M C 1.523 177.640 176.300 -0.304 0.000 1.069 646 M CA 1.803 57.123 55.300 0.033 0.000 1.117 646 M CB -0.748 31.863 32.600 0.018 0.000 1.334 646 M HN -0.087 nan 8.290 nan 0.000 0.407 647 F N -0.145 119.778 119.950 -0.044 0.000 2.797 647 F HA 0.272 4.789 4.527 -0.017 0.000 0.302 647 F C 1.590 177.328 175.800 -0.102 0.000 1.130 647 F CA 0.409 58.369 58.000 -0.066 0.000 1.387 647 F CB -0.628 38.360 39.000 -0.020 0.000 1.107 647 F HN 0.353 nan 8.300 nan 0.000 0.577 648 G N 1.552 110.342 108.800 -0.017 0.000 2.305 648 G HA2 -0.193 3.759 3.960 -0.012 0.000 0.287 648 G HA3 -0.193 3.759 3.960 -0.012 0.000 0.287 648 G C 0.046 174.948 174.900 0.004 0.000 1.036 648 G CA 0.380 45.431 45.100 -0.082 0.000 0.887 648 G HN 0.529 nan 8.290 nan 0.000 0.505 649 V N -3.774 116.179 119.914 0.064 0.000 2.994 649 V HA 0.960 5.072 4.120 -0.012 0.000 0.318 649 V C -1.906 174.216 176.094 0.047 0.000 1.085 649 V CA -2.809 59.520 62.300 0.048 0.000 0.998 649 V CB 1.968 33.819 31.823 0.047 0.000 1.063 649 V HN 0.035 nan 8.190 nan 0.000 0.447 650 P HA 0.339 nan 4.420 nan 0.000 0.271 650 P C 0.053 177.375 177.300 0.037 0.000 1.233 650 P CA -0.142 62.977 63.100 0.031 0.000 0.789 650 P CB 0.449 32.160 31.700 0.018 0.000 0.951 651 R N 1.214 121.738 120.500 0.039 0.000 2.115 651 R HA -0.116 4.216 4.340 -0.012 0.000 0.230 651 R C 1.924 178.239 176.300 0.025 0.000 1.111 651 R CA 1.216 57.341 56.100 0.041 0.000 0.976 651 R CB -0.529 29.796 30.300 0.041 0.000 0.870 651 R HN 0.606 nan 8.270 nan 0.000 0.445 652 E N 0.392 120.602 120.200 0.018 0.000 2.409 652 E HA -0.092 4.251 4.350 -0.012 0.000 0.198 652 E C 1.101 177.702 176.600 0.001 0.000 1.024 652 E CA 1.262 57.668 56.400 0.010 0.000 0.861 652 E CB 0.054 29.759 29.700 0.008 0.000 0.788 652 E HN 0.357 nan 8.360 nan 0.000 0.521 653 A N 1.139 123.958 122.820 -0.000 0.000 2.220 653 A HA 0.211 4.524 4.320 -0.012 0.000 0.211 653 A C 1.099 178.659 177.584 -0.040 0.000 1.176 653 A CA -0.278 51.749 52.037 -0.016 0.000 0.834 653 A CB 0.318 19.313 19.000 -0.009 0.000 0.868 653 A HN 0.076 nan 8.150 nan 0.000 0.488 654 V N 3.577 123.474 119.914 -0.028 0.000 2.409 654 V HA 0.085 4.198 4.120 -0.012 0.000 0.270 654 V C -0.096 175.957 176.094 -0.069 0.000 1.019 654 V CA -0.180 62.086 62.300 -0.057 0.000 1.066 654 V CB -0.492 31.333 31.823 0.003 0.000 1.021 654 V HN 0.666 nan 8.190 nan 0.000 0.476 655 D N 6.250 126.576 120.400 -0.123 0.000 2.411 655 D HA 0.271 4.903 4.640 -0.012 0.000 0.251 655 D C -1.795 174.453 176.300 -0.086 0.000 1.201 655 D CA -2.206 51.736 54.000 -0.096 0.000 0.996 655 D CB 0.243 40.976 40.800 -0.111 0.000 1.101 655 D HN 0.143 nan 8.370 nan 0.000 0.504 656 P HA -0.125 nan 4.420 nan 0.000 0.215 656 P C 1.731 179.004 177.300 -0.045 0.000 1.157 656 P CA 0.920 64.000 63.100 -0.033 0.000 0.874 656 P CB 0.102 31.788 31.700 -0.023 0.000 0.790 657 L N -2.086 119.096 121.223 -0.068 0.000 2.187 657 L HA -0.171 4.162 4.340 -0.012 0.000 0.213 657 L C 2.353 179.175 176.870 -0.079 0.000 1.100 657 L CA 1.394 56.199 54.840 -0.059 0.000 0.765 657 L CB -0.348 41.674 42.059 -0.062 0.000 0.904 657 L HN 0.020 nan 8.230 nan 0.000 0.437 658 M N -1.562 117.915 119.600 -0.204 0.000 2.193 658 M HA -0.184 4.288 4.480 -0.012 0.000 0.265 658 M C 2.366 178.670 176.300 0.008 0.000 1.071 658 M CA 1.365 56.473 55.300 -0.320 0.000 1.140 658 M CB -0.234 31.955 32.600 -0.685 0.000 1.369 658 M HN 0.102 nan 8.290 nan 0.000 0.423 659 R N 0.352 120.852 120.500 -0.000 0.000 2.092 659 R HA -0.145 4.188 4.340 -0.012 0.000 0.231 659 R C 2.259 178.592 176.300 0.056 0.000 1.119 659 R CA 1.536 57.674 56.100 0.063 0.000 0.970 659 R CB -0.112 30.224 30.300 0.060 0.000 0.864 659 R HN 0.212 nan 8.270 nan 0.000 0.440 660 R N -0.069 120.454 120.500 0.038 0.000 2.092 660 R HA -0.080 4.253 4.340 -0.012 0.000 0.231 660 R C 2.055 178.390 176.300 0.057 0.000 1.119 660 R CA 1.434 57.553 56.100 0.032 0.000 0.970 660 R CB -0.256 30.059 30.300 0.025 0.000 0.864 660 R HN 0.296 nan 8.270 nan 0.000 0.440 661 A N 0.667 123.550 122.820 0.104 0.000 1.908 661 A HA -0.115 4.197 4.320 -0.012 0.000 0.218 661 A C 2.317 179.977 177.584 0.126 0.000 1.181 661 A CA 1.699 53.823 52.037 0.145 0.000 0.627 661 A CB -0.773 18.392 19.000 0.276 0.000 0.818 661 A HN 0.525 nan 8.150 nan 0.000 0.445 662 A N -0.641 122.267 122.820 0.147 0.000 2.067 662 A HA -0.079 4.234 4.320 -0.012 0.000 0.219 662 A C 2.065 179.668 177.584 0.031 0.000 1.158 662 A CA 1.558 53.670 52.037 0.126 0.000 0.661 662 A CB -0.312 18.798 19.000 0.183 0.000 0.801 662 A HN 0.545 nan 8.150 nan 0.000 0.452 663 K N -0.636 119.727 120.400 -0.062 0.000 2.062 663 K HA -0.105 4.208 4.320 -0.012 0.000 0.205 663 K C 2.315 178.946 176.600 0.051 0.000 1.051 663 K CA 1.679 57.839 56.287 -0.211 0.000 0.941 663 K CB -0.355 32.009 32.500 -0.227 0.000 0.719 663 K HN 0.666 nan 8.250 nan 0.000 0.440 664 T N 0.236 114.850 114.554 0.101 0.000 2.881 664 T HA -0.082 4.261 4.350 -0.012 0.000 0.270 664 T C 1.843 176.614 174.700 0.119 0.000 1.068 664 T CA 0.722 62.910 62.100 0.147 0.000 1.131 664 T CB -0.085 68.844 68.868 0.102 0.000 0.871 664 T HN -0.071 nan 8.240 nan 0.000 0.479 665 I N 2.113 122.723 120.570 0.067 0.000 2.286 665 I HA -0.010 4.153 4.170 -0.012 0.000 0.245 665 I C 2.464 178.631 176.117 0.083 0.000 1.104 665 I CA 0.808 62.133 61.300 0.042 0.000 1.397 665 I CB -1.409 36.581 38.000 -0.017 0.000 1.072 665 I HN 0.303 nan 8.210 nan 0.000 0.417 666 N N 0.978 119.719 118.700 0.069 0.000 2.084 666 N HA -0.148 4.585 4.740 -0.012 0.000 0.190 666 N C 1.817 177.282 175.510 -0.075 0.000 1.030 666 N CA 1.440 54.527 53.050 0.062 0.000 0.849 666 N CB -0.379 38.066 38.487 -0.071 0.000 1.012 666 N HN 0.205 nan 8.380 nan 0.000 0.423 667 F N 0.793 120.820 119.950 0.128 0.000 2.367 667 F HA 0.141 4.664 4.527 -0.007 0.000 0.298 667 F C 2.449 178.296 175.800 0.078 0.000 1.094 667 F CA 0.547 58.591 58.000 0.073 0.000 1.409 667 F CB -1.006 38.106 39.000 0.187 0.000 1.064 667 F HN 0.029 nan 8.300 nan 0.000 0.528 668 G N 0.186 109.128 108.800 0.236 0.000 2.480 668 G HA2 -0.217 3.736 3.960 -0.012 0.000 0.216 668 G HA3 -0.217 3.736 3.960 -0.012 0.000 0.216 668 G C 1.889 176.848 174.900 0.097 0.000 1.200 668 G CA 1.318 46.520 45.100 0.170 0.000 0.782 668 G HN 0.225 nan 8.290 nan 0.000 0.554 669 V N 0.836 120.728 119.914 -0.037 0.000 2.343 669 V HA -0.139 3.974 4.120 -0.012 0.000 0.247 669 V C 2.715 178.699 176.094 -0.183 0.000 1.051 669 V CA 1.695 63.885 62.300 -0.183 0.000 1.036 669 V CB -0.443 31.079 31.823 -0.501 0.000 0.654 669 V HN 0.373 nan 8.190 nan 0.000 0.451 670 L N -0.204 120.837 121.223 -0.304 0.000 2.012 670 L HA -0.181 4.151 4.340 -0.012 0.000 0.210 670 L C 1.947 178.936 176.870 0.198 0.000 1.073 670 L CA 2.198 56.953 54.840 -0.142 0.000 0.748 670 L CB -0.809 41.077 42.059 -0.289 0.000 0.891 670 L HN 0.421 nan 8.230 nan 0.000 0.431 671 Y N 0.415 120.935 120.300 0.365 0.000 2.495 671 Y HA 0.484 5.028 4.550 -0.010 0.000 0.293 671 Y C 1.595 177.681 175.900 0.310 0.000 1.186 671 Y CA -0.255 58.055 58.100 0.350 0.000 1.266 671 Y CB -0.306 38.236 38.460 0.137 0.000 1.101 671 Y HN 0.338 nan 8.280 nan 0.000 0.517 672 G N -0.021 109.032 108.800 0.421 0.000 2.151 672 G HA2 -0.248 3.705 3.960 -0.012 0.000 0.156 672 G HA3 -0.248 3.705 3.960 -0.012 0.000 0.156 672 G C 0.208 175.229 174.900 0.202 0.000 1.017 672 G CA -0.212 45.078 45.100 0.317 0.000 0.686 672 G HN 0.297 nan 8.290 nan 0.000 0.503 673 M N 2.084 121.787 119.600 0.171 0.000 2.252 673 M HA 0.473 4.946 4.480 -0.012 0.000 0.333 673 M C 1.183 177.544 176.300 0.102 0.000 1.111 673 M CA 0.636 56.007 55.300 0.118 0.000 1.140 673 M CB 0.516 33.168 32.600 0.086 0.000 1.538 673 M HN 0.784 nan 8.290 nan 0.000 0.448 674 S N 3.639 119.393 115.700 0.091 0.000 2.616 674 S HA 0.568 5.030 4.470 -0.012 0.000 0.277 674 S C 0.833 175.459 174.600 0.043 0.000 1.234 674 S CA -0.445 57.810 58.200 0.091 0.000 1.028 674 S CB 1.491 64.770 63.200 0.132 0.000 0.988 674 S HN 0.855 nan 8.310 nan 0.000 0.522 675 A N 1.177 123.994 122.820 -0.005 0.000 1.908 675 A HA -0.175 4.138 4.320 -0.012 0.000 0.218 675 A C 2.140 179.602 177.584 -0.204 0.000 1.181 675 A CA 1.867 53.784 52.037 -0.200 0.000 0.627 675 A CB -1.625 17.095 19.000 -0.467 0.000 0.818 675 A HN 1.079 nan 8.150 nan 0.000 0.445 676 H N -0.357 118.678 119.070 -0.059 0.000 2.293 676 H HA -0.148 4.401 4.556 -0.012 0.000 0.300 676 H C 2.369 177.737 175.328 0.068 0.000 1.082 676 H CA 1.898 58.030 56.048 0.140 0.000 1.308 676 H CB -0.146 29.784 29.762 0.280 0.000 1.375 676 H HN 0.507 nan 8.280 nan 0.000 0.495 677 R N 0.268 120.727 120.500 -0.068 0.000 2.096 677 R HA -0.134 4.199 4.340 -0.012 0.000 0.235 677 R C 2.541 178.772 176.300 -0.116 0.000 1.127 677 R CA 1.433 57.456 56.100 -0.129 0.000 0.968 677 R CB -0.221 30.078 30.300 -0.002 0.000 0.861 677 R HN 0.340 nan 8.270 nan 0.000 0.440 678 L N 0.761 121.933 121.223 -0.084 0.000 2.056 678 L HA -0.098 4.235 4.340 -0.012 0.000 0.207 678 L C 2.251 179.057 176.870 -0.106 0.000 1.078 678 L CA 2.325 57.111 54.840 -0.090 0.000 0.749 678 L CB -0.621 41.391 42.059 -0.078 0.000 0.901 678 L HN 0.332 nan 8.230 nan 0.000 0.433 679 S N -1.514 114.121 115.700 -0.109 0.000 2.419 679 S HA -0.254 4.209 4.470 -0.012 0.000 0.233 679 S C 1.981 176.540 174.600 -0.068 0.000 1.016 679 S CA 1.205 59.364 58.200 -0.067 0.000 0.974 679 S CB -0.553 62.637 63.200 -0.017 0.000 0.786 679 S HN 0.574 nan 8.310 nan 0.000 0.492 680 Q N 1.448 121.174 119.800 -0.122 0.000 2.049 680 Q HA 0.067 4.400 4.340 -0.012 0.000 0.198 680 Q C 1.959 177.913 176.000 -0.077 0.000 0.971 680 Q CA 1.700 57.434 55.803 -0.116 0.000 0.833 680 Q CB -0.310 28.306 28.738 -0.202 0.000 0.896 680 Q HN 0.776 nan 8.270 nan 0.000 0.434 681 E N -0.712 119.440 120.200 -0.080 0.000 2.427 681 E HA -0.026 4.317 4.350 -0.012 0.000 0.196 681 E C 0.959 177.512 176.600 -0.078 0.000 1.028 681 E CA 0.356 56.719 56.400 -0.061 0.000 0.864 681 E CB 0.247 29.917 29.700 -0.050 0.000 0.813 681 E HN 0.335 nan 8.360 nan 0.000 0.514 682 L N -0.380 120.789 121.223 -0.089 0.000 2.693 682 L HA 0.297 4.629 4.340 -0.012 0.000 0.235 682 L C 0.847 177.660 176.870 -0.095 0.000 1.127 682 L CA -0.083 54.692 54.840 -0.109 0.000 0.914 682 L CB 0.274 42.275 42.059 -0.097 0.000 1.193 682 L HN 0.004 nan 8.230 nan 0.000 0.502 683 A N 1.530 124.311 122.820 -0.066 0.000 2.799 683 A HA -0.227 4.085 4.320 -0.012 0.000 0.287 683 A C 0.411 177.973 177.584 -0.037 0.000 1.484 683 A CA 1.305 53.314 52.037 -0.046 0.000 0.813 683 A CB -2.543 16.425 19.000 -0.053 0.000 1.009 683 A HN 0.578 nan 8.150 nan 0.000 0.545 684 I N -4.126 116.430 120.570 -0.024 0.000 2.797 684 I HA 0.801 4.964 4.170 -0.012 0.000 0.307 684 I C -2.569 173.571 176.117 0.039 0.000 1.033 684 I CA -3.384 57.917 61.300 0.001 0.000 1.071 684 I CB 1.466 39.475 38.000 0.015 0.000 1.255 684 I HN -0.077 nan 8.210 nan 0.000 0.445 685 P HA -0.042 nan 4.420 nan 0.000 0.267 685 P C -0.001 177.387 177.300 0.147 0.000 1.200 685 P CA 0.205 63.370 63.100 0.108 0.000 0.772 685 P CB 0.263 32.023 31.700 0.100 0.000 0.855 686 Y N 2.730 123.073 120.300 0.071 0.000 2.193 686 Y HA -0.312 4.231 4.550 -0.011 0.000 0.285 686 Y C 1.835 177.787 175.900 0.087 0.000 1.166 686 Y CA 2.014 60.168 58.100 0.089 0.000 1.181 686 Y CB -0.294 38.228 38.460 0.104 0.000 0.976 686 Y HN 0.363 nan 8.280 nan 0.000 0.520 687 E N 0.283 120.659 120.200 0.293 0.000 2.110 687 E HA -0.173 4.170 4.350 -0.012 0.000 0.193 687 E C 2.083 178.750 176.600 0.113 0.000 0.988 687 E CA 1.664 58.187 56.400 0.204 0.000 0.804 687 E CB -0.201 29.604 29.700 0.175 0.000 0.745 687 E HN 0.624 nan 8.360 nan 0.000 0.458 688 E N 0.024 120.291 120.200 0.112 0.000 2.106 688 E HA -0.114 4.229 4.350 -0.012 0.000 0.192 688 E C 2.031 178.708 176.600 0.129 0.000 0.984 688 E CA 0.864 57.347 56.400 0.138 0.000 0.806 688 E CB -0.109 29.680 29.700 0.149 0.000 0.750 688 E HN 0.266 nan 8.360 nan 0.000 0.458 689 A N 1.219 124.060 122.820 0.035 0.000 1.898 689 A HA -0.242 4.071 4.320 -0.012 0.000 0.216 689 A C 2.084 179.657 177.584 -0.018 0.000 1.181 689 A CA 1.328 53.356 52.037 -0.016 0.000 0.620 689 A CB -0.459 18.466 19.000 -0.125 0.000 0.819 689 A HN 0.164 nan 8.150 nan 0.000 0.442 690 Q N -0.731 119.000 119.800 -0.116 0.000 2.096 690 Q HA -0.194 4.139 4.340 -0.012 0.000 0.204 690 Q C 2.292 178.310 176.000 0.030 0.000 0.982 690 Q CA 1.685 57.443 55.803 -0.075 0.000 0.850 690 Q CB -0.318 28.387 28.738 -0.054 0.000 0.901 690 Q HN 0.675 nan 8.270 nan 0.000 0.422 691 A N -0.133 122.726 122.820 0.064 0.000 1.898 691 A HA -0.177 4.136 4.320 -0.012 0.000 0.216 691 A C 1.798 179.412 177.584 0.050 0.000 1.181 691 A CA 1.074 53.152 52.037 0.068 0.000 0.620 691 A CB -0.846 18.212 19.000 0.096 0.000 0.819 691 A HN 0.571 nan 8.150 nan 0.000 0.442 692 F N 0.535 120.439 119.950 -0.077 0.000 2.171 692 F HA -0.137 4.374 4.527 -0.027 0.000 0.300 692 F C 1.835 177.565 175.800 -0.116 0.000 1.090 692 F CA 1.745 59.635 58.000 -0.184 0.000 1.293 692 F CB -0.100 38.732 39.000 -0.280 0.000 1.013 692 F HN 0.175 nan 8.300 nan 0.000 0.486 693 I N 0.503 121.112 120.570 0.066 0.000 2.500 693 I HA -0.204 3.959 4.170 -0.012 0.000 0.252 693 I C 2.281 178.436 176.117 0.063 0.000 1.142 693 I CA 1.303 62.623 61.300 0.033 0.000 1.451 693 I CB -0.492 37.575 38.000 0.112 0.000 1.093 693 I HN 0.288 nan 8.210 nan 0.000 0.430 694 E N 1.198 121.421 120.200 0.039 0.000 2.072 694 E HA -0.181 4.162 4.350 -0.012 0.000 0.190 694 E C 2.190 178.778 176.600 -0.019 0.000 0.982 694 E CA 0.582 57.017 56.400 0.057 0.000 0.803 694 E CB -0.306 29.413 29.700 0.032 0.000 0.755 694 E HN 0.391 nan 8.360 nan 0.000 0.453 695 R N -0.084 120.334 120.500 -0.136 0.000 2.081 695 R HA -0.159 4.174 4.340 -0.012 0.000 0.235 695 R C 2.234 178.329 176.300 -0.342 0.000 1.131 695 R CA 1.644 57.597 56.100 -0.245 0.000 0.960 695 R CB -0.635 29.470 30.300 -0.325 0.000 0.856 695 R HN 0.226 nan 8.270 nan 0.000 0.436 696 Y N 0.294 120.250 120.300 -0.573 0.000 2.114 696 Y HA -0.261 4.281 4.550 -0.014 0.000 0.282 696 Y C 1.637 177.220 175.900 -0.528 0.000 1.165 696 Y CA 1.596 59.286 58.100 -0.683 0.000 1.148 696 Y CB -0.206 37.754 38.460 -0.833 0.000 0.972 696 Y HN -0.074 nan 8.280 nan 0.000 0.504 697 F N 0.140 120.157 119.950 0.112 0.000 2.387 697 F HA -0.055 4.467 4.527 -0.009 0.000 0.294 697 F C 2.608 178.383 175.800 -0.042 0.000 1.093 697 F CA 1.147 59.214 58.000 0.111 0.000 1.420 697 F CB -0.838 38.210 39.000 0.079 0.000 1.086 697 F HN 0.200 nan 8.300 nan 0.000 0.531 698 Q N -0.346 119.483 119.800 0.047 0.000 2.224 698 Q HA -0.139 4.194 4.340 -0.012 0.000 0.203 698 Q C 1.829 177.716 176.000 -0.189 0.000 0.970 698 Q CA 1.886 57.660 55.803 -0.048 0.000 0.865 698 Q CB -0.587 28.112 28.738 -0.066 0.000 0.922 698 Q HN 0.208 nan 8.270 nan 0.000 0.445 699 S N 0.175 115.626 115.700 -0.416 0.000 2.399 699 S HA -0.039 4.423 4.470 -0.012 0.000 0.231 699 S C -0.180 173.916 174.600 -0.839 0.000 1.022 699 S CA 0.870 58.596 58.200 -0.790 0.000 0.983 699 S CB -0.032 62.375 63.200 -1.322 0.000 0.803 699 S HN 0.449 nan 8.310 nan 0.000 0.480 700 F N 0.365 120.275 119.950 -0.068 0.000 2.550 700 F HA 0.408 4.929 4.527 -0.010 0.000 0.348 700 F C -2.206 173.623 175.800 0.048 0.000 1.219 700 F CA -2.865 55.118 58.000 -0.027 0.000 1.203 700 F CB 0.684 39.655 39.000 -0.049 0.000 1.436 700 F HN -0.079 nan 8.300 nan 0.000 0.541 701 P HA -0.224 nan 4.420 nan 0.000 0.216 701 P C 1.737 179.107 177.300 0.116 0.000 1.157 701 P CA 1.536 64.695 63.100 0.098 0.000 0.880 701 P CB 0.360 32.089 31.700 0.049 0.000 0.791 702 K N -0.556 119.917 120.400 0.121 0.000 2.442 702 K HA -0.023 4.290 4.320 -0.012 0.000 0.198 702 K C 1.865 178.557 176.600 0.154 0.000 1.042 702 K CA 0.564 56.917 56.287 0.111 0.000 0.958 702 K CB -0.748 31.802 32.500 0.084 0.000 0.766 702 K HN 0.099 nan 8.250 nan 0.000 0.474 703 V N 1.135 121.166 119.914 0.194 0.000 2.244 703 V HA -0.229 3.884 4.120 -0.012 0.000 0.244 703 V C 2.473 178.692 176.094 0.209 0.000 1.042 703 V CA 1.511 63.956 62.300 0.242 0.000 1.006 703 V CB -0.349 31.677 31.823 0.338 0.000 0.641 703 V HN 0.283 nan 8.190 nan 0.000 0.446 704 R N 0.028 120.589 120.500 0.101 0.000 2.103 704 R HA -0.199 4.134 4.340 -0.012 0.000 0.242 704 R C 2.408 178.689 176.300 -0.032 0.000 1.142 704 R CA 1.676 57.737 56.100 -0.064 0.000 0.960 704 R CB -0.950 29.277 30.300 -0.122 0.000 0.858 704 R HN 0.556 nan 8.270 nan 0.000 0.439 705 A N 0.268 123.108 122.820 0.035 0.000 1.892 705 A HA -0.228 4.085 4.320 -0.012 0.000 0.218 705 A C 1.997 179.615 177.584 0.055 0.000 1.188 705 A CA 1.558 53.614 52.037 0.032 0.000 0.631 705 A CB -0.996 18.039 19.000 0.057 0.000 0.822 705 A HN 0.629 nan 8.150 nan 0.000 0.447 706 W N 0.525 121.797 121.300 -0.046 0.000 2.381 706 W HA -0.131 4.521 4.660 -0.012 0.000 0.301 706 W C 1.765 178.249 176.519 -0.059 0.000 1.205 706 W CA 1.761 59.084 57.345 -0.035 0.000 1.285 706 W CB -0.251 29.206 29.460 -0.004 0.000 1.133 706 W HN 0.303 nan 8.180 nan 0.000 0.521 707 I N 0.793 121.314 120.570 -0.081 0.000 2.163 707 I HA -0.344 3.819 4.170 -0.012 0.000 0.243 707 I C 2.301 178.165 176.117 -0.422 0.000 1.085 707 I CA 2.021 63.062 61.300 -0.431 0.000 1.347 707 I CB -0.645 37.043 38.000 -0.521 0.000 1.044 707 I HN 0.072 nan 8.210 nan 0.000 0.408 708 E N 0.840 120.874 120.200 -0.276 0.000 2.110 708 E HA -0.270 4.073 4.350 -0.012 0.000 0.193 708 E C 2.048 178.516 176.600 -0.220 0.000 0.988 708 E CA 1.506 57.778 56.400 -0.212 0.000 0.804 708 E CB -0.051 29.561 29.700 -0.145 0.000 0.745 708 E HN 0.474 nan 8.360 nan 0.000 0.458 709 K N 0.424 120.673 120.400 -0.251 0.000 2.228 709 K HA 0.016 4.329 4.320 -0.012 0.000 0.202 709 K C 1.827 178.238 176.600 -0.316 0.000 1.051 709 K CA 1.373 57.522 56.287 -0.230 0.000 0.960 709 K CB -0.348 32.051 32.500 -0.168 0.000 0.743 709 K HN -0.145 nan 8.250 nan 0.000 0.458 710 T N 1.410 115.654 114.554 -0.517 0.000 2.777 710 T HA 0.053 4.396 4.350 -0.012 0.000 0.266 710 T C 1.615 176.133 174.700 -0.302 0.000 1.040 710 T CA 1.316 63.100 62.100 -0.527 0.000 1.141 710 T CB -0.224 68.099 68.868 -0.908 0.000 0.868 710 T HN 0.106 nan 8.240 nan 0.000 0.444 711 L N 0.775 121.849 121.223 -0.248 0.000 2.056 711 L HA -0.039 4.294 4.340 -0.012 0.000 0.207 711 L C 2.936 179.726 176.870 -0.134 0.000 1.078 711 L CA 1.055 55.809 54.840 -0.142 0.000 0.749 711 L CB -0.502 41.496 42.059 -0.101 0.000 0.901 711 L HN 0.157 nan 8.230 nan 0.000 0.433 712 E N 0.749 120.861 120.200 -0.147 0.000 2.058 712 E HA -0.285 4.058 4.350 -0.012 0.000 0.194 712 E C 1.987 178.508 176.600 -0.131 0.000 0.997 712 E CA 1.577 57.904 56.400 -0.121 0.000 0.801 712 E CB 0.080 29.711 29.700 -0.115 0.000 0.746 712 E HN 0.469 nan 8.360 nan 0.000 0.450 713 E N -1.062 119.040 120.200 -0.163 0.000 2.150 713 E HA -0.085 4.257 4.350 -0.012 0.000 0.193 713 E C 1.893 178.358 176.600 -0.226 0.000 0.985 713 E CA 0.898 57.188 56.400 -0.184 0.000 0.814 713 E CB -0.241 29.343 29.700 -0.194 0.000 0.752 713 E HN 0.309 nan 8.360 nan 0.000 0.466 714 G N 0.365 109.043 108.800 -0.203 0.000 2.421 714 G HA2 -0.211 3.742 3.960 -0.012 0.000 0.217 714 G HA3 -0.211 3.742 3.960 -0.012 0.000 0.217 714 G C 1.545 176.362 174.900 -0.138 0.000 1.143 714 G CA 0.195 45.178 45.100 -0.196 0.000 0.784 714 G HN 0.117 nan 8.290 nan 0.000 0.541 715 R N -0.303 120.133 120.500 -0.107 0.000 2.092 715 R HA 0.060 4.393 4.340 -0.012 0.000 0.231 715 R C 2.602 178.861 176.300 -0.069 0.000 1.119 715 R CA 1.045 57.103 56.100 -0.069 0.000 0.970 715 R CB -0.217 30.048 30.300 -0.058 0.000 0.864 715 R HN 0.272 nan 8.270 nan 0.000 0.440 716 R N 1.002 121.444 120.500 -0.096 0.000 2.062 716 R HA -0.063 4.270 4.340 -0.012 0.000 0.229 716 R C 1.957 178.203 176.300 -0.090 0.000 1.128 716 R CA 1.377 57.427 56.100 -0.084 0.000 0.960 716 R CB 0.108 30.352 30.300 -0.093 0.000 0.855 716 R HN 0.111 nan 8.270 nan 0.000 0.432 717 R N -1.337 119.054 120.500 -0.180 0.000 2.210 717 R HA 0.158 4.491 4.340 -0.012 0.000 0.203 717 R C 1.119 177.371 176.300 -0.081 0.000 1.010 717 R CA 0.659 56.626 56.100 -0.223 0.000 1.008 717 R CB 0.487 30.412 30.300 -0.626 0.000 0.923 717 R HN 0.534 nan 8.270 nan 0.000 0.469 718 G N 0.695 109.449 108.800 -0.077 0.000 2.176 718 G HA2 -0.297 3.656 3.960 -0.012 0.000 0.253 718 G HA3 -0.297 3.656 3.960 -0.012 0.000 0.253 718 G C -0.159 174.826 174.900 0.142 0.000 0.979 718 G CA 0.564 45.728 45.100 0.107 0.000 0.641 718 G HN 0.484 nan 8.290 nan 0.000 0.530 719 Y N -2.015 118.193 120.300 -0.154 0.000 2.638 719 Y HA 0.759 5.301 4.550 -0.012 0.000 0.335 719 Y C -0.146 175.622 175.900 -0.219 0.000 1.155 719 Y CA -1.236 56.662 58.100 -0.336 0.000 1.046 719 Y CB 0.935 38.855 38.460 -0.900 0.000 1.303 719 Y HN 0.883 nan 8.280 nan 0.000 0.460 720 V N -0.871 119.029 119.914 -0.024 0.000 3.166 720 V HA 0.935 5.048 4.120 -0.012 0.000 0.317 720 V C -0.867 175.286 176.094 0.098 0.000 1.136 720 V CA -0.796 61.488 62.300 -0.027 0.000 1.035 720 V CB 1.745 33.549 31.823 -0.032 0.000 1.110 720 V HN 1.139 nan 8.190 nan 0.000 0.450 721 E N -0.031 120.219 120.200 0.083 0.000 2.390 721 E HA 0.566 4.909 4.350 -0.012 0.000 0.277 721 E C -0.666 175.991 176.600 0.095 0.000 0.939 721 E CA -0.546 55.913 56.400 0.099 0.000 0.769 721 E CB 2.040 31.821 29.700 0.135 0.000 1.251 721 E HN 0.968 nan 8.360 nan 0.000 0.450 722 T N -0.449 114.150 114.554 0.076 0.000 2.771 722 T HA 0.136 4.479 4.350 -0.012 0.000 0.290 722 T C 1.135 175.825 174.700 -0.017 0.000 1.005 722 T CA -0.572 61.561 62.100 0.054 0.000 0.944 722 T CB 0.613 69.519 68.868 0.063 0.000 1.147 722 T HN 0.491 nan 8.240 nan 0.000 0.534 723 L N -0.527 120.598 121.223 -0.164 0.000 2.191 723 L HA 0.187 4.520 4.340 -0.012 0.000 0.212 723 L C 1.627 178.230 176.870 -0.445 0.000 1.103 723 L CA 1.557 56.186 54.840 -0.351 0.000 0.769 723 L CB -0.933 40.755 42.059 -0.618 0.000 0.908 723 L HN 0.749 nan 8.230 nan 0.000 0.438 724 F N -0.834 119.066 119.950 -0.083 0.000 2.727 724 F HA 0.370 4.890 4.527 -0.012 0.000 0.302 724 F C 1.745 177.519 175.800 -0.043 0.000 1.097 724 F CA 0.293 58.218 58.000 -0.124 0.000 1.330 724 F CB 0.133 39.078 39.000 -0.093 0.000 1.084 724 F HN 0.146 nan 8.300 nan 0.000 0.578 725 G N 1.301 110.165 108.800 0.107 0.000 2.141 725 G HA2 -0.307 3.646 3.960 -0.012 0.000 0.231 725 G HA3 -0.307 3.646 3.960 -0.012 0.000 0.231 725 G C 0.367 175.308 174.900 0.069 0.000 0.984 725 G CA -0.387 44.763 45.100 0.083 0.000 0.660 725 G HN 0.350 nan 8.290 nan 0.000 0.525 726 R N 0.631 121.187 120.500 0.093 0.000 2.489 726 R HA 0.434 4.766 4.340 -0.012 0.000 0.287 726 R C 0.414 176.705 176.300 -0.015 0.000 1.053 726 R CA 0.009 56.133 56.100 0.039 0.000 1.036 726 R CB 0.235 30.575 30.300 0.066 0.000 0.966 726 R HN 0.402 nan 8.270 nan 0.000 0.432 727 R N 2.984 123.424 120.500 -0.100 0.000 2.604 727 R HA 0.381 4.714 4.340 -0.012 0.000 0.287 727 R C -0.459 175.749 176.300 -0.152 0.000 0.970 727 R CA -0.850 55.146 56.100 -0.173 0.000 0.946 727 R CB 1.900 31.911 30.300 -0.481 0.000 1.127 727 R HN 0.509 nan 8.270 nan 0.000 0.473 728 R N 2.325 122.753 120.500 -0.121 0.000 2.532 728 R HA 0.253 4.586 4.340 -0.012 0.000 0.297 728 R C -1.400 174.859 176.300 -0.069 0.000 0.984 728 R CA -0.608 55.460 56.100 -0.053 0.000 0.884 728 R CB 0.988 31.281 30.300 -0.011 0.000 1.182 728 R HN 0.552 nan 8.270 nan 0.000 0.442 729 Y N 2.979 123.311 120.300 0.054 0.000 2.336 729 Y HA 0.275 4.818 4.550 -0.012 0.000 0.335 729 Y C 0.044 175.976 175.900 0.054 0.000 1.046 729 Y CA -0.240 57.913 58.100 0.089 0.000 1.198 729 Y CB 1.803 40.298 38.460 0.059 0.000 1.182 729 Y HN 0.208 nan 8.280 nan 0.000 0.502 730 V N 6.209 126.221 119.914 0.163 0.000 2.383 730 V HA 0.183 4.296 4.120 -0.012 0.000 0.264 730 V C -2.126 174.016 176.094 0.080 0.000 1.001 730 V CA -1.332 61.021 62.300 0.089 0.000 0.828 730 V CB 1.124 32.969 31.823 0.037 0.000 1.069 730 V HN 0.655 nan 8.190 nan 0.000 0.451 731 P HA 0.042 nan 4.420 nan 0.000 0.229 731 P C 0.696 178.018 177.300 0.038 0.000 1.160 731 P CA 0.720 63.860 63.100 0.067 0.000 0.777 731 P CB 0.382 32.119 31.700 0.061 0.000 0.814 732 D N -0.837 119.582 120.400 0.032 0.000 2.340 732 D HA 0.077 4.710 4.640 -0.012 0.000 0.220 732 D C 1.680 177.990 176.300 0.016 0.000 1.039 732 D CA 0.200 54.212 54.000 0.021 0.000 0.866 732 D CB -0.248 40.564 40.800 0.020 0.000 0.913 732 D HN 0.206 nan 8.370 nan 0.000 0.523 733 L N 0.065 121.297 121.223 0.014 0.000 2.353 733 L HA -0.088 4.245 4.340 -0.012 0.000 0.220 733 L C 1.347 178.217 176.870 0.001 0.000 1.133 733 L CA 1.098 55.941 54.840 0.005 0.000 0.798 733 L CB 0.012 42.068 42.059 -0.005 0.000 0.922 733 L HN -0.087 nan 8.230 nan 0.000 0.445 734 E N -0.519 119.683 120.200 0.003 0.000 2.734 734 E HA 0.246 4.589 4.350 -0.012 0.000 0.211 734 E C 0.351 176.953 176.600 0.003 0.000 0.991 734 E CA -0.367 56.033 56.400 0.000 0.000 1.065 734 E CB 0.701 30.400 29.700 -0.002 0.000 1.047 734 E HN 0.303 nan 8.360 nan 0.000 0.470 735 A N 0.644 123.467 122.820 0.007 0.000 2.507 735 A HA 0.078 4.391 4.320 -0.012 0.000 0.235 735 A C 0.840 178.427 177.584 0.005 0.000 1.070 735 A CA 0.218 52.259 52.037 0.007 0.000 0.768 735 A CB 0.370 19.376 19.000 0.010 0.000 1.011 735 A HN 0.320 nan 8.150 nan 0.000 0.502 736 R N 0.535 121.038 120.500 0.004 0.000 2.334 736 R HA 0.154 4.487 4.340 -0.012 0.000 0.216 736 R C -0.591 175.711 176.300 0.004 0.000 0.905 736 R CA 0.026 56.128 56.100 0.003 0.000 1.064 736 R CB 0.293 30.594 30.300 0.002 0.000 1.046 736 R HN 0.454 nan 8.270 nan 0.000 0.508 737 V N 1.956 121.873 119.914 0.006 0.000 2.385 737 V HA 0.065 4.178 4.120 -0.012 0.000 0.269 737 V C 1.287 177.387 176.094 0.010 0.000 1.043 737 V CA -0.286 62.019 62.300 0.008 0.000 0.906 737 V CB 1.388 33.216 31.823 0.008 0.000 0.995 737 V HN 0.136 nan 8.190 nan 0.000 0.467 738 K N 3.814 124.220 120.400 0.010 0.000 2.020 738 K HA -0.216 4.097 4.320 -0.012 0.000 0.212 738 K C 2.259 178.870 176.600 0.018 0.000 1.050 738 K CA 2.299 58.594 56.287 0.013 0.000 0.929 738 K CB -0.140 32.368 32.500 0.012 0.000 0.714 738 K HN 0.829 nan 8.250 nan 0.000 0.443 739 S N -0.188 115.523 115.700 0.019 0.000 2.368 739 S HA -0.122 4.341 4.470 -0.012 0.000 0.225 739 S C 2.058 176.672 174.600 0.023 0.000 1.030 739 S CA 1.428 59.642 58.200 0.024 0.000 0.999 739 S CB -0.630 62.584 63.200 0.023 0.000 0.844 739 S HN 0.145 nan 8.310 nan 0.000 0.459 740 V N 2.408 122.333 119.914 0.019 0.000 2.343 740 V HA -0.129 3.984 4.120 -0.012 0.000 0.247 740 V C 2.946 179.051 176.094 0.018 0.000 1.051 740 V CA 2.164 64.475 62.300 0.017 0.000 1.036 740 V CB -0.878 30.953 31.823 0.014 0.000 0.654 740 V HN 0.547 nan 8.190 nan 0.000 0.451 741 R N 0.127 120.638 120.500 0.018 0.000 2.073 741 R HA -0.178 4.155 4.340 -0.012 0.000 0.234 741 R C 2.263 178.578 176.300 0.027 0.000 1.134 741 R CA 1.946 58.057 56.100 0.018 0.000 0.952 741 R CB -0.191 30.118 30.300 0.014 0.000 0.850 741 R HN 0.611 nan 8.270 nan 0.000 0.433 742 E N -0.170 120.050 120.200 0.032 0.000 2.152 742 E HA -0.130 4.213 4.350 -0.012 0.000 0.192 742 E C 1.938 178.570 176.600 0.052 0.000 0.983 742 E CA 0.847 57.276 56.400 0.048 0.000 0.818 742 E CB -0.029 29.701 29.700 0.049 0.000 0.758 742 E HN 0.466 nan 8.360 nan 0.000 0.467 743 A N 1.818 124.660 122.820 0.036 0.000 1.877 743 A HA -0.134 4.179 4.320 -0.012 0.000 0.216 743 A C 2.451 180.041 177.584 0.010 0.000 1.186 743 A CA 1.710 53.761 52.037 0.023 0.000 0.620 743 A CB -0.666 18.345 19.000 0.019 0.000 0.822 743 A HN 0.287 nan 8.150 nan 0.000 0.443 744 A N -0.277 122.551 122.820 0.015 0.000 1.940 744 A HA -0.204 4.109 4.320 -0.012 0.000 0.219 744 A C 1.915 179.506 177.584 0.011 0.000 1.176 744 A CA 1.769 53.812 52.037 0.009 0.000 0.631 744 A CB -0.528 18.481 19.000 0.016 0.000 0.814 744 A HN 0.670 nan 8.150 nan 0.000 0.446 745 E N -0.646 119.578 120.200 0.041 0.000 2.072 745 E HA -0.154 4.189 4.350 -0.012 0.000 0.191 745 E C 2.337 179.001 176.600 0.106 0.000 0.985 745 E CA 0.970 57.428 56.400 0.097 0.000 0.801 745 E CB -0.149 29.628 29.700 0.129 0.000 0.750 745 E HN 0.553 nan 8.360 nan 0.000 0.452 746 R N 0.146 120.655 120.500 0.016 0.000 2.092 746 R HA -0.027 4.306 4.340 -0.012 0.000 0.231 746 R C 2.358 178.413 176.300 -0.409 0.000 1.119 746 R CA 1.121 57.078 56.100 -0.238 0.000 0.970 746 R CB -0.166 30.091 30.300 -0.072 0.000 0.864 746 R HN 0.209 nan 8.270 nan 0.000 0.440 747 M N 0.047 119.528 119.600 -0.198 0.000 2.117 747 M HA -0.111 4.362 4.480 -0.012 0.000 0.262 747 M C 2.527 178.726 176.300 -0.167 0.000 1.065 747 M CA 1.709 56.903 55.300 -0.176 0.000 1.114 747 M CB -0.298 32.252 32.600 -0.084 0.000 1.361 747 M HN 0.225 nan 8.290 nan 0.000 0.408 748 A N 0.833 123.592 122.820 -0.103 0.000 1.855 748 A HA -0.164 4.149 4.320 -0.012 0.000 0.215 748 A C 1.851 179.432 177.584 -0.004 0.000 1.191 748 A CA 1.646 53.661 52.037 -0.037 0.000 0.613 748 A CB -1.002 18.000 19.000 0.002 0.000 0.829 748 A HN 0.638 nan 8.150 nan 0.000 0.442 749 F N 0.403 120.349 119.950 -0.008 0.000 2.710 749 F HA 0.096 4.616 4.527 -0.013 0.000 0.298 749 F C 1.504 177.443 175.800 0.232 0.000 1.137 749 F CA 0.784 58.798 58.000 0.022 0.000 1.444 749 F CB -0.613 38.367 39.000 -0.033 0.000 1.111 749 F HN 0.280 nan 8.300 nan 0.000 0.580 750 N N 0.959 119.458 118.700 -0.335 0.000 2.216 750 N HA -0.181 4.552 4.740 -0.012 0.000 0.183 750 N C 1.909 177.373 175.510 -0.076 0.000 1.017 750 N CA 1.321 54.191 53.050 -0.300 0.000 0.861 750 N CB -0.242 37.846 38.487 -0.664 0.000 0.986 750 N HN 0.402 nan 8.380 nan 0.000 0.428 751 M N 1.351 120.925 119.600 -0.042 0.000 2.117 751 M HA -0.039 4.434 4.480 -0.012 0.000 0.262 751 M C -1.122 175.226 176.300 0.080 0.000 1.065 751 M CA 1.316 56.614 55.300 -0.004 0.000 1.114 751 M CB -1.715 30.880 32.600 -0.008 0.000 1.361 751 M HN -0.015 nan 8.290 nan 0.000 0.408 752 P HA -0.087 nan 4.420 nan 0.000 0.217 752 P C 1.820 179.237 177.300 0.194 0.000 1.150 752 P CA 1.173 64.413 63.100 0.233 0.000 0.832 752 P CB -0.103 31.866 31.700 0.447 0.000 0.787 753 V N -0.166 119.891 119.914 0.238 0.000 2.255 753 V HA -0.226 3.887 4.120 -0.012 0.000 0.243 753 V C 2.719 178.863 176.094 0.083 0.000 1.038 753 V CA 1.808 64.200 62.300 0.154 0.000 1.008 753 V CB -1.393 30.600 31.823 0.284 0.000 0.645 753 V HN 0.121 nan 8.190 nan 0.000 0.449 754 Q N 0.302 120.128 119.800 0.043 0.000 2.124 754 Q HA -0.159 4.174 4.340 -0.012 0.000 0.202 754 Q C 2.180 178.185 176.000 0.007 0.000 0.977 754 Q CA 1.985 57.776 55.803 -0.020 0.000 0.850 754 Q CB -0.427 28.243 28.738 -0.112 0.000 0.901 754 Q HN 0.664 nan 8.270 nan 0.000 0.429 755 G N -0.738 108.079 108.800 0.029 0.000 2.421 755 G HA2 -0.178 3.775 3.960 -0.012 0.000 0.217 755 G HA3 -0.178 3.775 3.960 -0.012 0.000 0.217 755 G C 1.311 176.254 174.900 0.071 0.000 1.143 755 G CA 1.084 46.216 45.100 0.054 0.000 0.784 755 G HN 0.330 nan 8.290 nan 0.000 0.541 756 T N 1.597 116.179 114.554 0.046 0.000 2.777 756 T HA 0.054 4.397 4.350 -0.012 0.000 0.266 756 T C 2.842 177.552 174.700 0.018 0.000 1.040 756 T CA 1.360 63.469 62.100 0.015 0.000 1.141 756 T CB -0.324 68.502 68.868 -0.069 0.000 0.868 756 T HN 0.341 nan 8.240 nan 0.000 0.444 757 A N 1.473 124.287 122.820 -0.011 0.000 1.908 757 A HA 0.078 4.391 4.320 -0.012 0.000 0.218 757 A C 2.608 180.195 177.584 0.004 0.000 1.181 757 A CA 1.933 53.943 52.037 -0.044 0.000 0.627 757 A CB -1.055 17.921 19.000 -0.041 0.000 0.818 757 A HN 0.511 nan 8.150 nan 0.000 0.445 758 A N -0.131 122.720 122.820 0.052 0.000 1.930 758 A HA -0.151 4.161 4.320 -0.012 0.000 0.217 758 A C 1.772 179.416 177.584 0.101 0.000 1.175 758 A CA 1.771 53.862 52.037 0.090 0.000 0.627 758 A CB -0.531 18.532 19.000 0.106 0.000 0.815 758 A HN 0.464 nan 8.150 nan 0.000 0.443 759 D N 0.245 120.725 120.400 0.134 0.000 2.104 759 D HA -0.139 4.494 4.640 -0.012 0.000 0.194 759 D C 1.971 178.347 176.300 0.126 0.000 0.994 759 D CA 1.160 55.263 54.000 0.172 0.000 0.830 759 D CB -0.394 40.656 40.800 0.417 0.000 0.959 759 D HN 0.453 nan 8.370 nan 0.000 0.452 760 L N -0.019 121.292 121.223 0.146 0.000 1.989 760 L HA -0.200 4.133 4.340 -0.012 0.000 0.211 760 L C 2.462 179.382 176.870 0.082 0.000 1.071 760 L CA 0.952 55.849 54.840 0.095 0.000 0.749 760 L CB -0.377 41.660 42.059 -0.036 0.000 0.890 760 L HN 0.062 nan 8.230 nan 0.000 0.431 761 M N 0.043 119.691 119.600 0.079 0.000 2.159 761 M HA -0.199 4.274 4.480 -0.012 0.000 0.263 761 M C 2.111 178.470 176.300 0.099 0.000 1.063 761 M CA 1.818 57.215 55.300 0.162 0.000 1.110 761 M CB -0.325 32.378 32.600 0.172 0.000 1.374 761 M HN -0.030 nan 8.290 nan 0.000 0.411 762 K N -0.566 119.869 120.400 0.058 0.000 2.026 762 K HA -0.145 4.168 4.320 -0.012 0.000 0.208 762 K C 1.904 178.497 176.600 -0.011 0.000 1.048 762 K CA 1.525 57.820 56.287 0.013 0.000 0.929 762 K CB -0.622 31.884 32.500 0.011 0.000 0.713 762 K HN 0.302 nan 8.250 nan 0.000 0.439 763 L N 1.125 122.340 121.223 -0.013 0.000 2.083 763 L HA -0.133 4.200 4.340 -0.012 0.000 0.209 763 L C 2.130 179.018 176.870 0.030 0.000 1.083 763 L CA 1.737 56.560 54.840 -0.028 0.000 0.752 763 L CB -0.637 41.400 42.059 -0.038 0.000 0.899 763 L HN 0.125 nan 8.230 nan 0.000 0.433 764 A N -0.946 121.921 122.820 0.080 0.000 1.930 764 A HA -0.201 4.112 4.320 -0.012 0.000 0.217 764 A C 2.252 179.876 177.584 0.067 0.000 1.175 764 A CA 1.924 54.024 52.037 0.106 0.000 0.627 764 A CB -0.489 18.622 19.000 0.186 0.000 0.815 764 A HN 0.514 nan 8.150 nan 0.000 0.443 765 M N -0.822 118.806 119.600 0.046 0.000 2.132 765 M HA -0.117 4.356 4.480 -0.012 0.000 0.263 765 M C 2.077 178.398 176.300 0.035 0.000 1.065 765 M CA 1.250 56.566 55.300 0.027 0.000 1.122 765 M CB -0.418 32.168 32.600 -0.024 0.000 1.365 765 M HN 0.237 nan 8.290 nan 0.000 0.411 766 V N 0.644 120.556 119.914 -0.002 0.000 2.343 766 V HA -0.275 3.838 4.120 -0.012 0.000 0.247 766 V C 2.201 178.314 176.094 0.031 0.000 1.051 766 V CA 1.847 64.138 62.300 -0.016 0.000 1.036 766 V CB -0.619 31.160 31.823 -0.073 0.000 0.654 766 V HN 0.442 nan 8.190 nan 0.000 0.451 767 K N -0.489 119.930 120.400 0.032 0.000 2.057 767 K HA -0.150 4.163 4.320 -0.012 0.000 0.206 767 K C 2.045 178.676 176.600 0.051 0.000 1.050 767 K CA 1.374 57.686 56.287 0.040 0.000 0.935 767 K CB -0.303 32.226 32.500 0.048 0.000 0.715 767 K HN 0.277 nan 8.250 nan 0.000 0.439 768 L N 0.289 121.549 121.223 0.061 0.000 2.131 768 L HA -0.017 4.316 4.340 -0.012 0.000 0.206 768 L C 1.903 178.802 176.870 0.049 0.000 1.087 768 L CA 1.262 56.128 54.840 0.043 0.000 0.767 768 L CB -0.487 41.594 42.059 0.036 0.000 0.917 768 L HN 0.052 nan 8.230 nan 0.000 0.441 769 F N 1.508 121.429 119.950 -0.048 0.000 2.091 769 F HA -0.158 4.362 4.527 -0.012 0.000 0.299 769 F C -0.565 175.194 175.800 -0.067 0.000 1.103 769 F CA 2.022 59.985 58.000 -0.063 0.000 1.228 769 F CB -1.607 37.354 39.000 -0.066 0.000 0.984 769 F HN 0.180 nan 8.300 nan 0.000 0.477 770 P HA -0.157 nan 4.420 nan 0.000 0.217 770 P C 1.361 178.572 177.300 -0.148 0.000 1.150 770 P CA 1.547 64.596 63.100 -0.085 0.000 0.832 770 P CB -0.153 31.553 31.700 0.011 0.000 0.787 771 R N -0.500 119.938 120.500 -0.105 0.000 2.092 771 R HA 0.015 4.348 4.340 -0.012 0.000 0.231 771 R C 2.345 178.560 176.300 -0.141 0.000 1.119 771 R CA 0.988 57.030 56.100 -0.097 0.000 0.970 771 R CB -1.653 28.613 30.300 -0.058 0.000 0.864 771 R HN 0.324 nan 8.270 nan 0.000 0.440 772 L N 0.806 121.910 121.223 -0.198 0.000 2.056 772 L HA -0.120 4.212 4.340 -0.012 0.000 0.207 772 L C 2.362 179.078 176.870 -0.257 0.000 1.078 772 L CA 1.281 55.992 54.840 -0.214 0.000 0.749 772 L CB -0.511 41.406 42.059 -0.237 0.000 0.901 772 L HN 0.206 nan 8.230 nan 0.000 0.433 773 E N 0.375 120.337 120.200 -0.395 0.000 2.070 773 E HA -0.292 4.051 4.350 -0.012 0.000 0.197 773 E C 2.023 178.510 176.600 -0.189 0.000 1.004 773 E CA 1.567 57.765 56.400 -0.338 0.000 0.805 773 E CB -0.172 29.286 29.700 -0.403 0.000 0.744 773 E HN 0.525 nan 8.360 nan 0.000 0.451 774 E N 0.193 120.297 120.200 -0.160 0.000 2.114 774 E HA -0.199 4.144 4.350 -0.012 0.000 0.199 774 E C 1.792 178.333 176.600 -0.098 0.000 1.008 774 E CA 1.455 57.790 56.400 -0.108 0.000 0.810 774 E CB -0.067 29.579 29.700 -0.090 0.000 0.739 774 E HN 0.286 nan 8.360 nan 0.000 0.456 775 M N -1.036 118.499 119.600 -0.108 0.000 2.494 775 M HA 0.180 4.653 4.480 -0.012 0.000 0.232 775 M C 0.981 177.217 176.300 -0.107 0.000 1.137 775 M CA 0.478 55.718 55.300 -0.100 0.000 1.012 775 M CB 0.964 33.506 32.600 -0.096 0.000 1.567 775 M HN 0.231 nan 8.290 nan 0.000 0.486 776 G N 1.374 110.117 108.800 -0.094 0.000 2.160 776 G HA2 -0.203 3.750 3.960 -0.012 0.000 0.251 776 G HA3 -0.203 3.750 3.960 -0.012 0.000 0.251 776 G C 0.065 174.966 174.900 0.002 0.000 1.008 776 G CA 0.219 45.286 45.100 -0.056 0.000 0.724 776 G HN 0.676 nan 8.290 nan 0.000 0.514 777 A N -0.737 122.073 122.820 -0.016 0.000 2.269 777 A HA 0.972 5.285 4.320 -0.012 0.000 0.327 777 A C 0.461 178.074 177.584 0.048 0.000 1.112 777 A CA -0.527 51.555 52.037 0.075 0.000 0.865 777 A CB 0.967 19.964 19.000 -0.004 0.000 1.227 777 A HN 0.542 nan 8.150 nan 0.000 0.498 778 R N -0.293 120.264 120.500 0.095 0.000 2.750 778 R HA 0.543 4.876 4.340 -0.012 0.000 0.281 778 R C -0.968 175.339 176.300 0.012 0.000 0.972 778 R CA -0.528 55.585 56.100 0.021 0.000 0.912 778 R CB 2.112 32.415 30.300 0.004 0.000 1.187 778 R HN 0.774 nan 8.270 nan 0.000 0.464 779 M N 3.655 123.283 119.600 0.047 0.000 2.113 779 M HA 0.256 4.729 4.480 -0.012 0.000 0.352 779 M C -0.336 175.979 176.300 0.025 0.000 1.170 779 M CA -0.186 55.145 55.300 0.051 0.000 1.053 779 M CB 0.795 33.483 32.600 0.146 0.000 1.601 779 M HN 0.659 nan 8.290 nan 0.000 0.459 780 L N 4.630 125.831 121.223 -0.037 0.000 2.435 780 L HA 0.380 4.713 4.340 -0.012 0.000 0.195 780 L C -0.157 176.708 176.870 -0.007 0.000 1.072 780 L CA 0.307 55.122 54.840 -0.041 0.000 0.833 780 L CB 0.206 42.199 42.059 -0.109 0.000 1.081 780 L HN 0.579 nan 8.230 nan 0.000 0.485 781 L N -0.446 120.725 121.223 -0.086 0.000 2.393 781 L HA 0.464 4.797 4.340 -0.012 0.000 0.260 781 L C -0.893 175.891 176.870 -0.142 0.000 1.002 781 L CA -0.491 54.346 54.840 -0.006 0.000 0.818 781 L CB 2.389 44.407 42.059 -0.068 0.000 1.369 781 L HN -0.011 nan 8.230 nan 0.000 0.412 782 Q N 1.521 121.206 119.800 -0.191 0.000 2.340 782 Q HA 0.504 4.836 4.340 -0.012 0.000 0.268 782 Q C -1.727 174.269 176.000 -0.007 0.000 1.031 782 Q CA -0.481 55.231 55.803 -0.152 0.000 0.804 782 Q CB 2.635 31.189 28.738 -0.308 0.000 1.286 782 Q HN 0.511 nan 8.270 nan 0.000 0.448 783 V N 6.472 126.379 119.914 -0.012 0.000 2.361 783 V HA 0.234 4.346 4.120 -0.012 0.000 0.252 783 V C 0.181 176.213 176.094 -0.103 0.000 0.986 783 V CA -0.345 61.887 62.300 -0.114 0.000 1.033 783 V CB -0.173 31.714 31.823 0.107 0.000 1.282 783 V HN 0.932 nan 8.190 nan 0.000 0.514 784 H N 1.772 120.919 119.070 0.129 0.000 4.856 784 H HA -0.212 4.336 4.556 -0.012 0.000 0.059 784 H C 1.246 176.648 175.328 0.123 0.000 0.596 784 H CA 2.216 58.327 56.048 0.105 0.000 0.946 784 H CB -0.920 28.891 29.762 0.082 0.000 0.453 784 H HN 0.811 nan 8.280 nan 0.000 0.801 785 D N 1.759 122.322 120.400 0.271 0.000 2.571 785 D HA 0.228 4.861 4.640 -0.012 0.000 0.239 785 D C 0.274 176.735 176.300 0.269 0.000 1.267 785 D CA 0.146 54.335 54.000 0.314 0.000 0.823 785 D CB 0.765 41.750 40.800 0.308 0.000 1.056 785 D HN 0.607 nan 8.370 nan 0.000 0.494 786 E N 0.509 120.811 120.200 0.170 0.000 2.288 786 E HA 0.559 4.902 4.350 -0.012 0.000 0.268 786 E C -1.394 175.238 176.600 0.054 0.000 0.885 786 E CA -0.808 55.659 56.400 0.111 0.000 0.767 786 E CB 1.985 31.781 29.700 0.160 0.000 1.220 786 E HN 0.045 nan 8.360 nan 0.000 0.427 787 L N 3.268 124.495 121.223 0.006 0.000 2.386 787 L HA 0.521 4.854 4.340 -0.012 0.000 0.271 787 L C -1.025 175.806 176.870 -0.065 0.000 0.993 787 L CA -1.171 53.645 54.840 -0.041 0.000 0.819 787 L CB 2.140 44.168 42.059 -0.051 0.000 1.294 787 L HN 0.373 nan 8.230 nan 0.000 0.414 788 V N 4.585 124.416 119.914 -0.138 0.000 2.384 788 V HA 0.481 4.594 4.120 -0.012 0.000 0.287 788 V C 0.081 176.080 176.094 -0.157 0.000 1.020 788 V CA -0.403 61.766 62.300 -0.220 0.000 0.850 788 V CB 1.581 33.090 31.823 -0.522 0.000 0.987 788 V HN 0.516 nan 8.190 nan 0.000 0.436 789 L N 3.359 124.523 121.223 -0.100 0.000 2.304 789 L HA 0.748 5.081 4.340 -0.012 0.000 0.268 789 L C -0.175 176.683 176.870 -0.019 0.000 1.010 789 L CA -0.693 54.118 54.840 -0.048 0.000 0.813 789 L CB 1.969 44.014 42.059 -0.023 0.000 1.315 789 L HN 0.590 nan 8.230 nan 0.000 0.445 790 E N 0.546 120.772 120.200 0.044 0.000 2.246 790 E HA 0.701 5.044 4.350 -0.012 0.000 0.266 790 E C -1.715 175.111 176.600 0.375 0.000 0.880 790 E CA -0.576 55.914 56.400 0.150 0.000 0.762 790 E CB 2.179 31.897 29.700 0.030 0.000 1.180 790 E HN 0.697 nan 8.360 nan 0.000 0.416 791 A N 4.820 127.870 122.820 0.383 0.000 2.414 791 A HA 0.676 4.989 4.320 -0.012 0.000 0.306 791 A C -2.737 174.732 177.584 -0.192 0.000 1.054 791 A CA -1.797 50.325 52.037 0.142 0.000 0.724 791 A CB 1.381 20.381 19.000 -0.000 0.000 1.267 791 A HN 0.443 nan 8.150 nan 0.000 0.418 792 P HA 0.036 nan 4.420 nan 0.000 0.265 792 P C 0.498 177.537 177.300 -0.435 0.000 1.187 792 P CA 0.211 62.699 63.100 -1.020 0.000 0.766 792 P CB 0.532 31.706 31.700 -0.877 0.000 0.820 793 K N 1.748 121.955 120.400 -0.321 0.000 2.103 793 K HA -0.230 4.083 4.320 -0.012 0.000 0.207 793 K C 1.601 178.117 176.600 -0.141 0.000 1.048 793 K CA 1.659 57.854 56.287 -0.154 0.000 0.930 793 K CB -0.083 32.358 32.500 -0.099 0.000 0.716 793 K HN 0.433 nan 8.250 nan 0.000 0.444 794 E N 0.138 120.234 120.200 -0.174 0.000 2.268 794 E HA -0.080 4.263 4.350 -0.012 0.000 0.195 794 E C 1.316 177.840 176.600 -0.126 0.000 0.995 794 E CA 0.944 57.264 56.400 -0.133 0.000 0.836 794 E CB 0.282 29.900 29.700 -0.137 0.000 0.763 794 E HN 0.140 nan 8.360 nan 0.000 0.491 795 R N -1.171 119.234 120.500 -0.159 0.000 2.365 795 R HA 0.327 4.660 4.340 -0.012 0.000 0.223 795 R C 1.838 178.074 176.300 -0.105 0.000 0.899 795 R CA 0.573 56.593 56.100 -0.133 0.000 1.059 795 R CB 0.476 30.677 30.300 -0.164 0.000 1.086 795 R HN 0.063 nan 8.270 nan 0.000 0.522 796 A N 1.786 124.546 122.820 -0.100 0.000 1.892 796 A HA -0.266 4.046 4.320 -0.012 0.000 0.218 796 A C 2.077 179.634 177.584 -0.045 0.000 1.188 796 A CA 1.913 53.912 52.037 -0.062 0.000 0.631 796 A CB -0.268 18.706 19.000 -0.044 0.000 0.822 796 A HN 0.184 nan 8.150 nan 0.000 0.447 797 E N 0.048 120.221 120.200 -0.045 0.000 2.077 797 E HA -0.042 4.301 4.350 -0.012 0.000 0.193 797 E C 2.031 178.609 176.600 -0.035 0.000 0.989 797 E CA 1.598 57.978 56.400 -0.034 0.000 0.800 797 E CB -0.503 29.178 29.700 -0.031 0.000 0.746 797 E HN 0.477 nan 8.360 nan 0.000 0.452 798 A N -0.113 122.680 122.820 -0.044 0.000 1.930 798 A HA -0.091 4.221 4.320 -0.012 0.000 0.217 798 A C 2.470 180.027 177.584 -0.044 0.000 1.175 798 A CA 1.434 53.445 52.037 -0.044 0.000 0.627 798 A CB -0.585 18.385 19.000 -0.051 0.000 0.815 798 A HN 0.193 nan 8.150 nan 0.000 0.443 799 V N -0.158 119.727 119.914 -0.049 0.000 2.358 799 V HA -0.228 3.884 4.120 -0.012 0.000 0.246 799 V C 3.045 179.117 176.094 -0.037 0.000 1.047 799 V CA 1.839 64.111 62.300 -0.047 0.000 1.035 799 V CB -1.176 30.619 31.823 -0.048 0.000 0.658 799 V HN 0.609 nan 8.190 nan 0.000 0.452 800 A N -0.043 122.758 122.820 -0.031 0.000 1.858 800 A HA -0.237 4.076 4.320 -0.012 0.000 0.216 800 A C 2.384 179.951 177.584 -0.027 0.000 1.190 800 A CA 1.915 53.936 52.037 -0.026 0.000 0.617 800 A CB -0.542 18.447 19.000 -0.019 0.000 0.827 800 A HN 0.474 nan 8.150 nan 0.000 0.443 801 R N -1.228 119.257 120.500 -0.025 0.000 2.083 801 R HA -0.152 4.181 4.340 -0.012 0.000 0.237 801 R C 2.174 178.461 176.300 -0.023 0.000 1.137 801 R CA 1.590 57.676 56.100 -0.022 0.000 0.951 801 R CB -0.598 29.690 30.300 -0.020 0.000 0.851 801 R HN 0.517 nan 8.270 nan 0.000 0.434 802 L N 0.598 121.805 121.223 -0.027 0.000 2.027 802 L HA -0.078 4.255 4.340 -0.012 0.000 0.206 802 L C 2.253 179.108 176.870 -0.025 0.000 1.074 802 L CA 2.041 56.866 54.840 -0.026 0.000 0.745 802 L CB -0.649 41.391 42.059 -0.033 0.000 0.898 802 L HN 0.118 nan 8.230 nan 0.000 0.433 803 A N -0.516 122.284 122.820 -0.032 0.000 1.933 803 A HA -0.267 4.046 4.320 -0.012 0.000 0.218 803 A C 2.464 180.020 177.584 -0.046 0.000 1.175 803 A CA 1.983 53.998 52.037 -0.037 0.000 0.628 803 A CB -0.680 18.295 19.000 -0.043 0.000 0.814 803 A HN 0.533 nan 8.150 nan 0.000 0.444 804 K N -0.593 119.779 120.400 -0.047 0.000 2.057 804 K HA -0.187 4.126 4.320 -0.012 0.000 0.207 804 K C 1.807 178.388 176.600 -0.031 0.000 1.049 804 K CA 1.572 57.826 56.287 -0.055 0.000 0.931 804 K CB -0.098 32.379 32.500 -0.038 0.000 0.714 804 K HN 0.385 nan 8.250 nan 0.000 0.440 805 E N 0.394 120.586 120.200 -0.014 0.000 2.072 805 E HA -0.118 4.225 4.350 -0.012 0.000 0.190 805 E C 2.155 178.766 176.600 0.018 0.000 0.982 805 E CA 0.901 57.304 56.400 0.004 0.000 0.803 805 E CB -0.236 29.465 29.700 0.001 0.000 0.755 805 E HN 0.136 nan 8.360 nan 0.000 0.453 806 V N 1.497 121.419 119.914 0.013 0.000 2.295 806 V HA -0.276 3.837 4.120 -0.012 0.000 0.246 806 V C 2.463 178.594 176.094 0.063 0.000 1.049 806 V CA 1.797 64.117 62.300 0.033 0.000 1.024 806 V CB -0.503 31.333 31.823 0.022 0.000 0.648 806 V HN 0.244 nan 8.190 nan 0.000 0.447 807 M N -0.721 118.902 119.600 0.037 0.000 2.132 807 M HA -0.179 4.294 4.480 -0.012 0.000 0.263 807 M C 2.215 178.635 176.300 0.200 0.000 1.065 807 M CA 1.830 57.176 55.300 0.078 0.000 1.122 807 M CB -0.513 31.979 32.600 -0.179 0.000 1.365 807 M HN 0.341 nan 8.290 nan 0.000 0.411 808 E N -0.242 120.025 120.200 0.112 0.000 2.150 808 E HA -0.094 4.249 4.350 -0.012 0.000 0.193 808 E C 1.637 178.316 176.600 0.131 0.000 0.985 808 E CA 0.987 57.477 56.400 0.149 0.000 0.814 808 E CB -0.114 29.631 29.700 0.074 0.000 0.752 808 E HN 0.570 nan 8.360 nan 0.000 0.466 809 G N 0.583 109.445 108.800 0.103 0.000 3.502 809 G HA2 0.039 3.992 3.960 -0.012 0.000 0.267 809 G HA3 0.039 3.992 3.960 -0.012 0.000 0.267 809 G C 1.149 176.114 174.900 0.107 0.000 1.090 809 G CA -0.274 44.875 45.100 0.081 0.000 0.795 809 G HN 0.114 nan 8.290 nan 0.000 0.535 810 V N -0.260 119.750 119.914 0.160 0.000 2.332 810 V HA 0.034 4.147 4.120 -0.012 0.000 0.248 810 V C 0.445 176.702 176.094 0.272 0.000 1.055 810 V CA 1.487 63.904 62.300 0.196 0.000 1.038 810 V CB -0.181 31.776 31.823 0.223 0.000 0.651 810 V HN 0.420 nan 8.190 nan 0.000 0.450 811 Y N 0.147 120.503 120.300 0.094 0.000 2.299 811 Y HA 0.427 4.969 4.550 -0.012 0.000 0.327 811 Y C -2.673 173.237 175.900 0.017 0.000 1.187 811 Y CA -2.147 56.011 58.100 0.098 0.000 1.378 811 Y CB 0.723 39.311 38.460 0.213 0.000 1.205 811 Y HN 0.183 nan 8.280 nan 0.000 0.441 812 P HA 0.099 nan 4.420 nan 0.000 0.264 812 P C -0.469 176.746 177.300 -0.141 0.000 1.179 812 P CA 0.749 63.788 63.100 -0.101 0.000 0.763 812 P CB 0.825 32.456 31.700 -0.116 0.000 0.806 813 L N 1.464 122.612 121.223 -0.126 0.000 2.343 813 L HA 0.601 4.934 4.340 -0.012 0.000 0.264 813 L C 1.595 178.476 176.870 0.019 0.000 1.050 813 L CA -1.008 53.697 54.840 -0.224 0.000 0.956 813 L CB 0.283 42.127 42.059 -0.358 0.000 1.576 813 L HN 0.201 nan 8.230 nan 0.000 0.521 814 A N -0.084 122.884 122.820 0.247 0.000 2.167 814 A HA 0.236 4.549 4.320 -0.012 0.000 0.214 814 A C 0.394 178.022 177.584 0.074 0.000 1.151 814 A CA 0.598 52.733 52.037 0.164 0.000 0.735 814 A CB -0.550 18.547 19.000 0.161 0.000 0.802 814 A HN 0.406 nan 8.150 nan 0.000 0.467 815 V N -4.383 115.549 119.914 0.031 0.000 3.001 815 V HA 0.681 4.794 4.120 -0.012 0.000 0.314 815 V C -3.238 172.837 176.094 -0.032 0.000 1.099 815 V CA -2.974 59.328 62.300 0.004 0.000 0.989 815 V CB 1.534 33.332 31.823 -0.043 0.000 1.040 815 V HN 0.047 nan 8.190 nan 0.000 0.434 816 P HA 0.416 nan 4.420 nan 0.000 0.275 816 P C -0.840 176.443 177.300 -0.028 0.000 1.227 816 P CA -0.179 62.921 63.100 0.000 0.000 0.781 816 P CB 0.494 32.214 31.700 0.033 0.000 0.906 817 L N 2.605 123.833 121.223 0.007 0.000 2.264 817 L HA 0.340 4.672 4.340 -0.012 0.000 0.289 817 L C 0.860 177.796 176.870 0.111 0.000 1.044 817 L CA -0.247 54.624 54.840 0.052 0.000 0.807 817 L CB 0.560 42.687 42.059 0.112 0.000 1.192 817 L HN 0.315 nan 8.230 nan 0.000 0.425 818 E N 2.548 122.819 120.200 0.119 0.000 2.212 818 E HA 0.610 4.953 4.350 -0.012 0.000 0.270 818 E C -1.227 175.443 176.600 0.117 0.000 0.956 818 E CA -0.772 55.690 56.400 0.105 0.000 0.825 818 E CB 3.015 32.769 29.700 0.090 0.000 1.167 818 E HN 0.213 nan 8.360 nan 0.000 0.400 819 V N 2.679 122.614 119.914 0.035 0.000 2.577 819 V HA 0.167 4.280 4.120 -0.012 0.000 0.303 819 V C -0.447 175.637 176.094 -0.017 0.000 1.042 819 V CA -0.911 61.359 62.300 -0.050 0.000 0.872 819 V CB 1.816 33.528 31.823 -0.185 0.000 0.998 819 V HN 0.571 nan 8.190 nan 0.000 0.423 820 E N 2.588 122.791 120.200 0.004 0.000 2.283 820 E HA 0.518 4.860 4.350 -0.012 0.000 0.278 820 E C -0.742 175.859 176.600 0.002 0.000 1.027 820 E CA -0.098 56.313 56.400 0.019 0.000 0.843 820 E CB 2.405 32.134 29.700 0.049 0.000 1.062 820 E HN 0.443 nan 8.360 nan 0.000 0.401 821 V N 1.653 121.570 119.914 0.006 0.000 2.709 821 V HA 0.839 4.952 4.120 -0.012 0.000 0.308 821 V C -0.415 175.690 176.094 0.018 0.000 1.062 821 V CA -0.306 61.996 62.300 0.003 0.000 0.901 821 V CB 1.986 33.801 31.823 -0.014 0.000 1.003 821 V HN 0.670 nan 8.190 nan 0.000 0.425 822 G N 5.276 114.093 108.800 0.028 0.000 2.605 822 G HA2 0.777 4.729 3.960 -0.012 0.000 0.296 822 G HA3 0.777 4.729 3.960 -0.012 0.000 0.296 822 G C -1.626 173.294 174.900 0.034 0.000 1.304 822 G CA -0.739 44.381 45.100 0.035 0.000 0.941 822 G HN 0.794 nan 8.290 nan 0.000 0.475 823 I N 0.273 120.862 120.570 0.032 0.000 2.545 823 I HA 0.746 4.909 4.170 -0.012 0.000 0.292 823 I C 0.357 176.497 176.117 0.038 0.000 1.040 823 I CA -0.600 60.718 61.300 0.030 0.000 1.068 823 I CB 2.460 40.469 38.000 0.016 0.000 1.251 823 I HN 0.820 nan 8.210 nan 0.000 0.424 824 G N 3.586 112.415 108.800 0.047 0.000 2.559 824 G HA2 0.259 4.211 3.960 -0.012 0.000 0.291 824 G HA3 0.259 4.211 3.960 -0.012 0.000 0.291 824 G C -0.232 174.702 174.900 0.056 0.000 1.424 824 G CA -0.330 44.801 45.100 0.051 0.000 0.786 824 G HN 0.466 nan 8.290 nan 0.000 0.485 825 E N -0.597 119.632 120.200 0.050 0.000 2.358 825 E HA 0.051 4.394 4.350 -0.012 0.000 0.195 825 E C 0.247 176.880 176.600 0.055 0.000 1.010 825 E CA 1.300 57.728 56.400 0.047 0.000 0.856 825 E CB 0.294 30.012 29.700 0.029 0.000 0.795 825 E HN 0.700 nan 8.360 nan 0.000 0.504 826 D N -3.048 117.398 120.400 0.078 0.000 2.570 826 D HA 0.030 4.663 4.640 -0.012 0.000 0.244 826 D C 0.385 176.816 176.300 0.217 0.000 1.178 826 D CA -0.869 53.207 54.000 0.127 0.000 0.881 826 D CB 0.229 41.079 40.800 0.083 0.000 1.453 826 D HN -0.244 nan 8.370 nan 0.000 0.447 827 W N 1.167 122.502 121.300 0.059 0.000 2.338 827 W HA -0.093 4.561 4.660 -0.011 0.000 0.304 827 W C 1.452 177.975 176.519 0.007 0.000 1.212 827 W CA 0.849 58.211 57.345 0.029 0.000 1.264 827 W CB -0.614 28.850 29.460 0.006 0.000 1.142 827 W HN 0.534 nan 8.180 nan 0.000 0.512 828 L N 0.867 122.206 121.223 0.193 0.000 2.017 828 L HA -0.200 4.133 4.340 -0.012 0.000 0.208 828 L C 2.587 179.501 176.870 0.074 0.000 1.073 828 L CA 2.668 57.536 54.840 0.046 0.000 0.745 828 L CB -1.285 40.783 42.059 0.015 0.000 0.894 828 L HN -0.212 nan 8.230 nan 0.000 0.432 829 S N -0.314 115.439 115.700 0.088 0.000 2.399 829 S HA -0.119 4.344 4.470 -0.012 0.000 0.231 829 S C 1.918 176.566 174.600 0.080 0.000 1.022 829 S CA 1.009 59.249 58.200 0.068 0.000 0.983 829 S CB -0.542 62.693 63.200 0.057 0.000 0.803 829 S HN 0.618 nan 8.310 nan 0.000 0.480 830 A N 0.755 123.647 122.820 0.121 0.000 2.209 830 A HA 0.069 4.382 4.320 -0.012 0.000 0.212 830 A C 1.843 179.497 177.584 0.117 0.000 1.158 830 A CA 0.745 52.851 52.037 0.116 0.000 0.742 830 A CB -0.078 19.002 19.000 0.133 0.000 0.790 830 A HN 0.407 nan 8.150 nan 0.000 0.472 831 K N -0.841 119.627 120.400 0.114 0.000 2.399 831 K HA 0.201 4.514 4.320 -0.012 0.000 0.196 831 K C 1.037 177.668 176.600 0.052 0.000 1.103 831 K CA 0.639 56.978 56.287 0.086 0.000 0.986 831 K CB 0.275 32.825 32.500 0.083 0.000 0.952 831 K HN 0.493 nan 8.250 nan 0.000 0.541 832 E N 0.000 120.226 120.200 0.043 0.000 2.725 832 E HA 0.000 4.343 4.350 -0.012 0.000 0.291 832 E CA 0.000 56.417 56.400 0.028 0.000 0.976 832 E CB 0.000 29.713 29.700 0.022 0.000 0.812 832 E HN 0.000 nan 8.360 nan 0.000 0.440