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 3m8s_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 0.000 176.853 176.870 -0.028 0.000 1.165 294 L CA 0.000 54.831 54.840 -0.016 0.000 0.813 294 L CB 0.000 42.051 42.059 -0.012 0.000 0.961 295 E N 3.114 123.291 120.200 -0.038 0.000 2.360 295 E HA 0.131 4.492 4.350 0.018 0.000 0.269 295 E C -0.433 176.119 176.600 -0.079 0.000 1.022 295 E CA -0.555 55.817 56.400 -0.047 0.000 0.887 295 E CB 0.933 30.608 29.700 -0.041 0.000 0.990 295 E HN 0.321 nan 8.360 nan 0.000 0.426 296 E N 1.486 121.650 120.200 -0.059 0.000 2.413 296 E HA 0.262 4.622 4.350 0.018 0.000 0.263 296 E C -0.783 175.760 176.600 -0.095 0.000 1.015 296 E CA 0.148 56.508 56.400 -0.066 0.000 0.916 296 E CB 1.386 31.071 29.700 -0.024 0.000 0.947 296 E HN 0.508 nan 8.360 nan 0.000 0.440 297 A N 3.853 126.588 122.820 -0.142 0.000 2.520 297 A HA 0.566 4.897 4.320 0.018 0.000 0.298 297 A C -2.661 174.976 177.584 0.088 0.000 1.051 297 A CA -1.596 50.382 52.037 -0.098 0.000 0.690 297 A CB 1.400 20.226 19.000 -0.291 0.000 1.281 297 A HN 0.290 nan 8.150 nan 0.000 0.402 298 P HA 0.006 nan 4.420 nan 0.000 0.266 298 P C -0.137 177.349 177.300 0.311 0.000 1.195 298 P CA -0.029 63.194 63.100 0.204 0.000 0.768 298 P CB 0.419 32.198 31.700 0.132 0.000 0.838 299 W N 4.964 126.334 121.300 0.116 0.000 2.170 299 W HA 0.106 4.776 4.660 0.018 0.000 0.342 299 W C -2.174 174.357 176.519 0.021 0.000 1.294 299 W CA -0.889 56.495 57.345 0.066 0.000 1.246 299 W CB 0.167 29.652 29.460 0.042 0.000 1.156 299 W HN 0.372 nan 8.180 nan 0.000 0.572 300 P HA 0.450 nan 4.420 nan 0.000 0.283 300 P C -2.590 174.080 177.300 -1.050 0.000 1.278 300 P CA -1.466 60.814 63.100 -1.368 0.000 0.834 300 P CB 0.545 31.661 31.700 -0.972 0.000 1.150 301 P HA 0.381 nan 4.420 nan 0.000 0.278 301 P C -2.440 174.452 177.300 -0.681 0.000 1.266 301 P CA -1.565 60.786 63.100 -1.249 0.000 0.807 301 P CB -1.147 29.982 31.700 -0.951 0.000 1.094 302 P HA 0.166 nan 4.420 nan 0.000 0.274 302 P C -0.225 176.922 177.300 -0.255 0.000 1.260 302 P CA -0.217 62.723 63.100 -0.267 0.000 0.793 302 P CB 0.322 31.932 31.700 -0.150 0.000 1.048 303 E N -0.433 119.650 120.200 -0.194 0.000 2.366 303 E HA 0.317 4.678 4.350 0.018 0.000 0.266 303 E C 0.903 177.385 176.600 -0.196 0.000 1.051 303 E CA 0.476 56.763 56.400 -0.188 0.000 0.884 303 E CB 0.054 29.665 29.700 -0.149 0.000 1.006 303 E HN 0.795 nan 8.360 nan 0.000 0.417 304 G N 1.329 109.988 108.800 -0.235 0.000 2.148 304 G HA2 -0.305 3.666 3.960 0.018 0.000 0.254 304 G HA3 -0.305 3.666 3.960 0.018 0.000 0.254 304 G C 0.388 175.041 174.900 -0.413 0.000 0.981 304 G CA 0.174 45.086 45.100 -0.313 0.000 0.670 304 G HN 0.752 nan 8.290 nan 0.000 0.528 305 A N -0.628 122.008 122.820 -0.307 0.000 2.346 305 A HA 0.711 5.041 4.320 0.018 0.000 0.252 305 A C -0.022 177.371 177.584 -0.319 0.000 1.089 305 A CA 0.004 51.907 52.037 -0.223 0.000 0.797 305 A CB 0.329 19.252 19.000 -0.129 0.000 1.047 305 A HN 0.665 nan 8.150 nan 0.000 0.494 306 F N 0.354 120.289 119.950 -0.026 0.000 2.410 306 F HA 0.429 4.967 4.527 0.018 0.000 0.349 306 F C 0.686 176.530 175.800 0.074 0.000 1.117 306 F CA -0.392 57.608 58.000 0.000 0.000 1.104 306 F CB 1.601 40.604 39.000 0.005 0.000 1.122 306 F HN 0.482 nan 8.300 nan 0.000 0.483 307 V N 0.898 120.964 119.914 0.254 0.000 2.785 307 V HA 0.946 5.077 4.120 0.018 0.000 0.300 307 V C 0.103 176.394 176.094 0.327 0.000 1.062 307 V CA -0.506 61.960 62.300 0.276 0.000 1.029 307 V CB 1.010 32.978 31.823 0.241 0.000 1.024 307 V HN 0.848 nan 8.190 nan 0.000 0.477 308 G N 3.216 112.194 108.800 0.297 0.000 2.524 308 G HA2 0.844 4.815 3.960 0.018 0.000 0.310 308 G HA3 0.844 4.815 3.960 0.018 0.000 0.310 308 G C -1.359 173.701 174.900 0.267 0.000 1.279 308 G CA -0.692 44.537 45.100 0.215 0.000 0.974 308 G HN 1.530 nan 8.290 nan 0.000 0.484 309 F N -0.424 119.538 119.950 0.019 0.000 2.665 309 F HA 0.714 5.251 4.527 0.018 0.000 0.308 309 F C -1.400 174.379 175.800 -0.035 0.000 1.112 309 F CA -1.542 56.445 58.000 -0.022 0.000 0.972 309 F CB 1.469 40.461 39.000 -0.013 0.000 1.295 309 F HN 0.411 nan 8.300 nan 0.000 0.440 310 V N 4.017 123.935 119.914 0.006 0.000 2.448 310 V HA 0.538 4.669 4.120 0.018 0.000 0.295 310 V C -0.200 175.928 176.094 0.057 0.000 1.025 310 V CA -0.691 61.569 62.300 -0.067 0.000 0.859 310 V CB 1.545 33.308 31.823 -0.100 0.000 0.988 310 V HN 0.788 nan 8.190 nan 0.000 0.431 311 L N 3.316 124.587 121.223 0.080 0.000 2.334 311 L HA 0.416 4.767 4.340 0.018 0.000 0.275 311 L C 1.565 178.481 176.870 0.078 0.000 1.036 311 L CA -0.368 54.544 54.840 0.120 0.000 0.807 311 L CB 2.089 44.260 42.059 0.187 0.000 1.231 311 L HN 0.801 nan 8.230 nan 0.000 0.438 312 S N 1.498 117.248 115.700 0.083 0.000 2.474 312 S HA -0.023 4.458 4.470 0.018 0.000 0.235 312 S C 0.594 175.239 174.600 0.075 0.000 0.997 312 S CA 0.167 58.409 58.200 0.070 0.000 0.949 312 S CB -0.082 63.166 63.200 0.081 0.000 0.766 312 S HN 0.802 nan 8.310 nan 0.000 0.517 313 R N -0.096 120.463 120.500 0.098 0.000 2.741 313 R HA 0.398 4.749 4.340 0.018 0.000 0.274 313 R C -0.022 176.351 176.300 0.122 0.000 1.029 313 R CA -0.789 55.369 56.100 0.097 0.000 0.880 313 R CB 0.519 30.876 30.300 0.096 0.000 1.264 313 R HN 0.098 nan 8.270 nan 0.000 0.465 314 K N 0.032 120.498 120.400 0.110 0.000 2.296 314 K HA 0.055 4.386 4.320 0.018 0.000 0.200 314 K C -0.506 176.176 176.600 0.137 0.000 1.048 314 K CA 0.828 57.186 56.287 0.118 0.000 0.966 314 K CB 0.070 32.623 32.500 0.089 0.000 0.754 314 K HN 0.484 nan 8.250 nan 0.000 0.466 315 E N 2.375 122.670 120.200 0.159 0.000 2.129 315 E HA 0.095 4.455 4.350 0.018 0.000 0.283 315 E C -2.070 174.651 176.600 0.202 0.000 1.080 315 E CA -2.195 54.327 56.400 0.203 0.000 0.867 315 E CB 1.407 31.293 29.700 0.309 0.000 1.056 315 E HN 0.018 nan 8.360 nan 0.000 0.404 316 P HA -0.221 nan 4.420 nan 0.000 0.215 316 P C 1.094 178.404 177.300 0.016 0.000 1.157 316 P CA 1.267 64.412 63.100 0.076 0.000 0.874 316 P CB 0.161 31.879 31.700 0.030 0.000 0.790 317 M N -3.218 116.348 119.600 -0.057 0.000 2.358 317 M HA -0.106 4.385 4.480 0.018 0.000 0.264 317 M C 1.211 177.344 176.300 -0.279 0.000 1.064 317 M CA 1.440 56.553 55.300 -0.311 0.000 1.093 317 M CB -1.371 30.889 32.600 -0.566 0.000 1.401 317 M HN 0.108 nan 8.290 nan 0.000 0.440 318 W N -0.309 121.041 121.300 0.082 0.000 3.127 318 W HA 0.435 5.106 4.660 0.018 0.000 0.344 318 W C 0.670 177.237 176.519 0.080 0.000 1.151 318 W CA -0.318 57.088 57.345 0.101 0.000 1.765 318 W CB 0.171 29.675 29.460 0.073 0.000 1.085 318 W HN -0.033 nan 8.180 nan 0.000 0.596 319 A N 0.860 123.828 122.820 0.246 0.000 2.310 319 A HA 0.366 4.697 4.320 0.018 0.000 0.299 319 A C -0.728 176.962 177.584 0.176 0.000 1.147 319 A CA -0.350 51.803 52.037 0.194 0.000 0.818 319 A CB 0.433 19.533 19.000 0.167 0.000 1.096 319 A HN -0.006 nan 8.150 nan 0.000 0.495 320 D N 1.134 121.635 120.400 0.169 0.000 2.308 320 D HA 0.300 4.951 4.640 0.018 0.000 0.251 320 D C -0.575 175.791 176.300 0.109 0.000 1.127 320 D CA -0.137 53.983 54.000 0.201 0.000 0.876 320 D CB 0.858 41.759 40.800 0.169 0.000 1.176 320 D HN 0.293 nan 8.370 nan 0.000 0.446 321 L N 5.479 126.693 121.223 -0.016 0.000 2.334 321 L HA 0.205 4.556 4.340 0.018 0.000 0.286 321 L C 0.465 177.236 176.870 -0.165 0.000 1.108 321 L CA 0.131 54.834 54.840 -0.227 0.000 0.875 321 L CB 0.068 41.734 42.059 -0.654 0.000 1.246 321 L HN 0.595 nan 8.230 nan 0.000 0.439 322 L N 4.400 125.597 121.223 -0.044 0.000 2.179 322 L HA 0.267 4.618 4.340 0.018 0.000 0.208 322 L C 0.942 177.776 176.870 -0.060 0.000 1.096 322 L CA 0.756 55.580 54.840 -0.026 0.000 0.779 322 L CB -0.446 41.609 42.059 -0.007 0.000 0.922 322 L HN 0.779 nan 8.230 nan 0.000 0.443 323 A N -0.342 122.436 122.820 -0.070 0.000 2.612 323 A HA 0.682 5.013 4.320 0.018 0.000 0.293 323 A C -1.963 175.581 177.584 -0.066 0.000 1.075 323 A CA -0.394 51.592 52.037 -0.086 0.000 0.680 323 A CB 1.890 20.849 19.000 -0.070 0.000 1.279 323 A HN -0.064 nan 8.150 nan 0.000 0.411 324 L N 0.526 121.678 121.223 -0.120 0.000 2.464 324 L HA 0.922 5.273 4.340 0.018 0.000 0.266 324 L C -0.296 176.518 176.870 -0.095 0.000 0.965 324 L CA 0.372 55.157 54.840 -0.092 0.000 0.833 324 L CB 1.679 43.604 42.059 -0.223 0.000 1.296 324 L HN 1.790 nan 8.230 nan 0.000 0.405 325 A N 3.272 126.158 122.820 0.111 0.000 2.569 325 A HA 1.079 5.410 4.320 0.018 0.000 0.290 325 A C -1.493 176.337 177.584 0.410 0.000 1.136 325 A CA -0.072 52.120 52.037 0.259 0.000 0.710 325 A CB 1.752 20.846 19.000 0.157 0.000 1.303 325 A HN 1.590 nan 8.150 nan 0.000 0.413 326 A N -0.921 122.171 122.820 0.453 0.000 2.606 326 A HA 0.965 5.296 4.320 0.018 0.000 0.293 326 A C -0.697 177.091 177.584 0.341 0.000 1.082 326 A CA 0.029 52.267 52.037 0.335 0.000 0.685 326 A CB 1.255 20.367 19.000 0.187 0.000 1.284 326 A HN 2.598 nan 8.150 nan 0.000 0.408 327 A N 0.847 123.837 122.820 0.284 0.000 2.459 327 A HA 0.895 5.226 4.320 0.018 0.000 0.296 327 A C -0.581 177.159 177.584 0.259 0.000 1.039 327 A CA -0.426 51.766 52.037 0.259 0.000 0.698 327 A CB 1.378 20.489 19.000 0.186 0.000 1.261 327 A HN 1.181 nan 8.150 nan 0.000 0.405 328 R N 1.508 122.140 120.500 0.221 0.000 2.561 328 R HA 0.502 4.852 4.340 0.018 0.000 0.266 328 R C 0.318 176.696 176.300 0.129 0.000 1.091 328 R CA 0.249 56.456 56.100 0.178 0.000 0.927 328 R CB 1.573 31.939 30.300 0.111 0.000 1.240 328 R HN 2.335 nan 8.270 nan 0.000 0.449 329 G N 1.961 110.824 108.800 0.105 0.000 2.386 329 G HA2 -0.163 3.808 3.960 0.018 0.000 0.295 329 G HA3 -0.163 3.808 3.960 0.018 0.000 0.295 329 G C 0.793 175.723 174.900 0.051 0.000 0.979 329 G CA 0.982 46.124 45.100 0.070 0.000 1.193 329 G HN 1.564 nan 8.290 nan 0.000 0.508 330 G N -1.393 107.435 108.800 0.047 0.000 2.198 330 G HA2 -0.258 3.712 3.960 0.018 0.000 0.260 330 G HA3 -0.258 3.712 3.960 0.018 0.000 0.260 330 G C 0.358 175.257 174.900 -0.002 0.000 1.025 330 G CA 1.121 46.235 45.100 0.022 0.000 0.769 330 G HN 1.070 nan 8.290 nan 0.000 0.507 331 R N -1.601 118.896 120.500 -0.005 0.000 2.854 331 R HA 0.755 5.106 4.340 0.018 0.000 0.271 331 R C -1.154 175.074 176.300 -0.120 0.000 0.994 331 R CA -0.788 55.248 56.100 -0.107 0.000 0.945 331 R CB 2.808 33.001 30.300 -0.179 0.000 1.194 331 R HN 0.382 nan 8.270 nan 0.000 0.476 332 V N 3.127 122.904 119.914 -0.229 0.000 2.569 332 V HA 0.387 4.517 4.120 0.018 0.000 0.301 332 V C -1.221 174.757 176.094 -0.192 0.000 1.044 332 V CA -0.508 61.729 62.300 -0.104 0.000 0.874 332 V CB 1.589 33.410 31.823 -0.004 0.000 1.002 332 V HN 0.753 nan 8.190 nan 0.000 0.424 333 H N 6.662 125.820 119.070 0.147 0.000 2.511 333 H HA 0.533 5.100 4.556 0.018 0.000 0.328 333 H C -0.503 175.059 175.328 0.389 0.000 1.044 333 H CA -0.703 55.487 56.048 0.237 0.000 1.212 333 H CB 1.448 31.316 29.762 0.177 0.000 1.428 333 H HN 0.526 nan 8.280 nan 0.000 0.483 334 R N 1.612 122.324 120.500 0.354 0.000 2.346 334 R HA 0.481 4.831 4.340 0.018 0.000 0.311 334 R C -0.253 176.082 176.300 0.059 0.000 0.983 334 R CA -0.800 55.409 56.100 0.181 0.000 0.880 334 R CB 1.617 31.958 30.300 0.067 0.000 1.100 334 R HN 0.607 nan 8.270 nan 0.000 0.453 335 A N 4.757 127.366 122.820 -0.353 0.000 2.404 335 A HA 0.279 4.610 4.320 0.018 0.000 0.273 335 A C -1.591 175.774 177.584 -0.365 0.000 1.144 335 A CA -1.350 50.221 52.037 -0.776 0.000 0.806 335 A CB 0.277 18.431 19.000 -1.410 0.000 1.080 335 A HN 0.544 nan 8.150 nan 0.000 0.509 336 P HA -0.079 nan 4.420 nan 0.000 0.217 336 P C 0.235 177.457 177.300 -0.130 0.000 1.150 336 P CA 1.151 64.178 63.100 -0.120 0.000 0.832 336 P CB 0.403 32.068 31.700 -0.057 0.000 0.787 337 E N -1.361 118.733 120.200 -0.177 0.000 2.279 337 E HA 0.178 4.539 4.350 0.018 0.000 0.252 337 E C -2.152 174.340 176.600 -0.179 0.000 0.894 337 E CA -2.622 53.707 56.400 -0.117 0.000 0.785 337 E CB 1.465 31.136 29.700 -0.049 0.000 1.237 337 E HN -0.108 nan 8.360 nan 0.000 0.418 338 P HA -0.163 nan 4.420 nan 0.000 0.214 338 P C 0.912 178.069 177.300 -0.239 0.000 1.163 338 P CA 1.331 64.262 63.100 -0.281 0.000 0.889 338 P CB 0.057 31.579 31.700 -0.295 0.000 0.790 339 Y N 0.085 120.324 120.300 -0.101 0.000 2.114 339 Y HA -0.189 4.372 4.550 0.018 0.000 0.284 339 Y C 2.670 178.533 175.900 -0.061 0.000 1.143 339 Y CA 1.730 59.788 58.100 -0.071 0.000 1.135 339 Y CB -0.819 37.610 38.460 -0.051 0.000 0.980 339 Y HN -0.112 nan 8.280 nan 0.000 0.499 340 K N 0.263 120.724 120.400 0.102 0.000 2.097 340 K HA -0.150 4.181 4.320 0.018 0.000 0.206 340 K C 2.184 178.809 176.600 0.042 0.000 1.049 340 K CA 1.051 57.373 56.287 0.057 0.000 0.933 340 K CB -0.299 32.223 32.500 0.037 0.000 0.717 340 K HN 0.264 nan 8.250 nan 0.000 0.442 341 A N 1.366 124.157 122.820 -0.049 0.000 2.070 341 A HA -0.108 4.223 4.320 0.018 0.000 0.220 341 A C 2.013 179.689 177.584 0.154 0.000 1.159 341 A CA 1.006 53.019 52.037 -0.039 0.000 0.656 341 A CB -0.506 18.085 19.000 -0.682 0.000 0.800 341 A HN 0.345 nan 8.150 nan 0.000 0.453 342 L N -1.341 119.907 121.223 0.041 0.000 2.079 342 L HA -0.222 4.129 4.340 0.018 0.000 0.210 342 L C 2.709 179.627 176.870 0.080 0.000 1.081 342 L CA 1.490 56.359 54.840 0.049 0.000 0.752 342 L CB -0.358 41.694 42.059 -0.012 0.000 0.896 342 L HN 0.272 nan 8.230 nan 0.000 0.433 343 R N 0.113 120.662 120.500 0.082 0.000 2.200 343 R HA -0.138 4.213 4.340 0.018 0.000 0.234 343 R C 1.229 177.570 176.300 0.069 0.000 1.127 343 R CA 0.963 57.101 56.100 0.064 0.000 0.989 343 R CB -0.408 29.928 30.300 0.059 0.000 0.869 343 R HN 0.347 nan 8.270 nan 0.000 0.459 344 D N -0.493 119.985 120.400 0.130 0.000 2.328 344 D HA 0.064 4.714 4.640 0.018 0.000 0.226 344 D C -0.131 176.168 176.300 -0.000 0.000 1.066 344 D CA 0.371 54.418 54.000 0.079 0.000 0.861 344 D CB 0.245 41.136 40.800 0.152 0.000 0.912 344 D HN 0.162 nan 8.370 nan 0.000 0.521 345 L N 0.571 121.807 121.223 0.023 0.000 2.325 345 L HA 0.318 4.669 4.340 0.018 0.000 0.278 345 L C 1.371 178.212 176.870 -0.048 0.000 1.023 345 L CA -0.624 54.200 54.840 -0.027 0.000 0.811 345 L CB 2.119 44.184 42.059 0.009 0.000 1.249 345 L HN -0.398 nan 8.230 nan 0.000 0.431 346 K N 1.355 121.708 120.400 -0.078 0.000 2.354 346 K HA 0.206 4.537 4.320 0.018 0.000 0.194 346 K C -0.160 176.391 176.600 -0.081 0.000 1.038 346 K CA 0.311 56.554 56.287 -0.074 0.000 1.052 346 K CB 0.975 33.423 32.500 -0.086 0.000 0.861 346 K HN 0.591 nan 8.250 nan 0.000 0.535 347 E N -0.024 120.120 120.200 -0.093 0.000 2.481 347 E HA 0.258 4.619 4.350 0.018 0.000 0.301 347 E C -1.875 174.662 176.600 -0.104 0.000 0.948 347 E CA -0.289 56.048 56.400 -0.104 0.000 0.804 347 E CB 1.505 31.128 29.700 -0.128 0.000 1.265 347 E HN 0.044 nan 8.360 nan 0.000 0.406 348 A N 4.759 127.523 122.820 -0.095 0.000 2.437 348 A HA 0.357 4.688 4.320 0.018 0.000 0.303 348 A C -0.018 177.531 177.584 -0.059 0.000 1.324 348 A CA -0.082 51.908 52.037 -0.078 0.000 0.983 348 A CB -0.096 18.843 19.000 -0.102 0.000 1.142 348 A HN 0.501 nan 8.150 nan 0.000 0.541 349 R N 2.882 123.344 120.500 -0.064 0.000 2.337 349 R HA 0.581 4.932 4.340 0.018 0.000 0.319 349 R C 0.264 176.610 176.300 0.077 0.000 0.954 349 R CA 0.704 56.744 56.100 -0.101 0.000 0.840 349 R CB 0.802 30.893 30.300 -0.349 0.000 1.164 349 R HN 1.236 nan 8.270 nan 0.000 0.472 350 G N 2.623 111.539 108.800 0.194 0.000 2.339 350 G HA2 0.014 3.985 3.960 0.018 0.000 0.275 350 G HA3 0.014 3.985 3.960 0.018 0.000 0.275 350 G C -1.369 173.699 174.900 0.281 0.000 1.323 350 G CA -1.110 44.190 45.100 0.333 0.000 0.927 350 G HN 0.456 nan 8.290 nan 0.000 0.486 351 L N 1.310 122.701 121.223 0.280 0.000 2.540 351 L HA 0.281 4.632 4.340 0.018 0.000 0.276 351 L C 1.271 178.295 176.870 0.258 0.000 1.212 351 L CA 0.160 55.129 54.840 0.216 0.000 0.893 351 L CB 0.152 42.336 42.059 0.207 0.000 1.138 351 L HN 0.669 nan 8.230 nan 0.000 0.491 352 L N 2.594 123.921 121.223 0.174 0.000 3.717 352 L HA -0.336 4.015 4.340 0.018 0.000 0.414 352 L C 1.738 178.795 176.870 0.312 0.000 1.228 352 L CA 0.289 55.261 54.840 0.219 0.000 0.918 352 L CB -1.560 40.643 42.059 0.240 0.000 1.865 352 L HN 0.918 nan 8.230 nan 0.000 0.922 353 A N 0.453 123.403 122.820 0.216 0.000 1.917 353 A HA -0.281 4.050 4.320 0.018 0.000 0.219 353 A C 2.241 179.841 177.584 0.026 0.000 1.182 353 A CA 2.315 54.427 52.037 0.124 0.000 0.633 353 A CB -0.286 18.761 19.000 0.079 0.000 0.819 353 A HN 0.679 nan 8.150 nan 0.000 0.448 354 K N -0.567 119.852 120.400 0.033 0.000 2.057 354 K HA -0.228 4.103 4.320 0.018 0.000 0.207 354 K C 1.356 177.941 176.600 -0.024 0.000 1.049 354 K CA 1.841 58.119 56.287 -0.015 0.000 0.931 354 K CB -0.273 32.225 32.500 -0.003 0.000 0.714 354 K HN 0.352 nan 8.250 nan 0.000 0.440 355 D N 0.832 121.259 120.400 0.045 0.000 2.104 355 D HA -0.176 4.475 4.640 0.018 0.000 0.194 355 D C 1.804 178.037 176.300 -0.112 0.000 0.994 355 D CA 0.961 54.992 54.000 0.051 0.000 0.830 355 D CB -0.218 40.720 40.800 0.229 0.000 0.959 355 D HN 0.178 nan 8.370 nan 0.000 0.452 356 L N 0.265 121.280 121.223 -0.347 0.000 2.141 356 L HA -0.076 4.275 4.340 0.018 0.000 0.209 356 L C 2.154 178.824 176.870 -0.334 0.000 1.094 356 L CA 1.398 55.849 54.840 -0.647 0.000 0.763 356 L CB -0.702 40.669 42.059 -1.147 0.000 0.908 356 L HN -0.067 nan 8.230 nan 0.000 0.437 357 S N -1.614 113.949 115.700 -0.228 0.000 2.383 357 S HA -0.129 4.352 4.470 0.018 0.000 0.227 357 S C 1.968 176.462 174.600 -0.178 0.000 1.026 357 S CA 1.403 59.493 58.200 -0.184 0.000 0.981 357 S CB -0.334 62.769 63.200 -0.161 0.000 0.818 357 S HN 0.287 nan 8.310 nan 0.000 0.472 358 V N 1.860 121.684 119.914 -0.151 0.000 2.343 358 V HA -0.100 4.031 4.120 0.018 0.000 0.247 358 V C 2.414 178.424 176.094 -0.139 0.000 1.051 358 V CA 1.887 64.107 62.300 -0.133 0.000 1.036 358 V CB -0.644 31.130 31.823 -0.082 0.000 0.654 358 V HN 0.573 nan 8.190 nan 0.000 0.451 359 L N 0.003 121.144 121.223 -0.137 0.000 2.141 359 L HA -0.086 4.265 4.340 0.018 0.000 0.209 359 L C 2.420 179.226 176.870 -0.106 0.000 1.094 359 L CA 1.662 56.431 54.840 -0.118 0.000 0.763 359 L CB -0.419 41.567 42.059 -0.121 0.000 0.908 359 L HN 0.285 nan 8.230 nan 0.000 0.437 360 A N -0.140 122.603 122.820 -0.129 0.000 1.898 360 A HA -0.136 4.195 4.320 0.018 0.000 0.216 360 A C 2.160 179.693 177.584 -0.085 0.000 1.181 360 A CA 1.506 53.484 52.037 -0.098 0.000 0.620 360 A CB -0.765 18.167 19.000 -0.113 0.000 0.819 360 A HN 0.461 nan 8.150 nan 0.000 0.442 361 L N -0.790 120.365 121.223 -0.114 0.000 2.079 361 L HA -0.202 4.149 4.340 0.018 0.000 0.210 361 L C 2.783 179.596 176.870 -0.094 0.000 1.081 361 L CA 1.738 56.516 54.840 -0.103 0.000 0.752 361 L CB -0.473 41.501 42.059 -0.142 0.000 0.896 361 L HN 0.494 nan 8.230 nan 0.000 0.433 362 R N 0.273 120.698 120.500 -0.125 0.000 2.127 362 R HA -0.163 4.188 4.340 0.018 0.000 0.238 362 R C 1.475 177.718 176.300 -0.095 0.000 1.134 362 R CA 1.254 57.260 56.100 -0.157 0.000 0.975 362 R CB 0.071 30.248 30.300 -0.204 0.000 0.865 362 R HN 0.305 nan 8.270 nan 0.000 0.447 363 E N -0.689 119.481 120.200 -0.051 0.000 2.465 363 E HA 0.081 4.442 4.350 0.018 0.000 0.191 363 E C 0.614 177.202 176.600 -0.020 0.000 1.053 363 E CA 0.676 57.065 56.400 -0.018 0.000 0.869 363 E CB 0.869 30.590 29.700 0.035 0.000 0.977 363 E HN 0.594 nan 8.360 nan 0.000 0.483 364 G N 1.387 110.169 108.800 -0.030 0.000 2.149 364 G HA2 -0.254 3.716 3.960 0.018 0.000 0.235 364 G HA3 -0.254 3.716 3.960 0.018 0.000 0.235 364 G C 0.013 174.906 174.900 -0.010 0.000 1.018 364 G CA 0.088 45.177 45.100 -0.018 0.000 0.728 364 G HN 0.190 nan 8.290 nan 0.000 0.508 365 L N 0.027 121.239 121.223 -0.019 0.000 2.341 365 L HA 0.678 5.029 4.340 0.018 0.000 0.278 365 L C 1.064 177.919 176.870 -0.025 0.000 1.005 365 L CA -0.609 54.221 54.840 -0.017 0.000 0.818 365 L CB 2.062 44.110 42.059 -0.019 0.000 1.259 365 L HN 0.147 nan 8.230 nan 0.000 0.418 366 G N 3.490 112.285 108.800 -0.009 0.000 3.209 366 G HA2 0.358 4.329 3.960 0.018 0.000 0.274 366 G HA3 0.358 4.329 3.960 0.018 0.000 0.274 366 G C -0.535 174.350 174.900 -0.026 0.000 0.850 366 G CA -0.120 44.980 45.100 -0.001 0.000 1.907 366 G HN 0.341 nan 8.290 nan 0.000 0.591 367 L N 4.270 125.456 121.223 -0.061 0.000 2.297 367 L HA 0.484 4.835 4.340 0.018 0.000 0.277 367 L C -2.145 174.664 176.870 -0.101 0.000 1.040 367 L CA -2.752 52.044 54.840 -0.074 0.000 0.867 367 L CB 1.341 43.351 42.059 -0.081 0.000 1.244 367 L HN 0.095 nan 8.230 nan 0.000 0.433 368 P HA 0.363 nan 4.420 nan 0.000 0.278 368 P C -2.884 174.358 177.300 -0.097 0.000 1.238 368 P CA -1.769 61.276 63.100 -0.091 0.000 0.794 368 P CB 0.428 32.100 31.700 -0.047 0.000 0.955 369 P HA 0.229 nan 4.420 nan 0.000 0.279 369 P C 0.254 177.506 177.300 -0.081 0.000 1.239 369 P CA 0.279 63.329 63.100 -0.083 0.000 0.789 369 P CB 0.989 32.644 31.700 -0.074 0.000 0.933 370 G N 1.675 110.431 108.800 -0.074 0.000 3.247 370 G HA2 0.206 4.177 3.960 0.018 0.000 0.163 370 G HA3 0.206 4.177 3.960 0.018 0.000 0.163 370 G C -0.637 174.246 174.900 -0.028 0.000 1.206 370 G CA -0.448 44.600 45.100 -0.085 0.000 0.918 370 G HN 0.372 nan 8.290 nan 0.000 0.625 371 D N 0.971 121.355 120.400 -0.027 0.000 2.525 371 D HA 0.230 4.881 4.640 0.018 0.000 0.235 371 D C -0.878 175.544 176.300 0.203 0.000 1.137 371 D CA 1.031 55.121 54.000 0.150 0.000 0.868 371 D CB 1.287 42.006 40.800 -0.134 0.000 1.180 371 D HN 0.239 nan 8.370 nan 0.000 0.465 372 D N 1.853 122.480 120.400 0.379 0.000 2.736 372 D HA 0.215 4.866 4.640 0.018 0.000 0.243 372 D C -2.217 174.294 176.300 0.351 0.000 1.304 372 D CA -1.964 52.221 54.000 0.309 0.000 0.934 372 D CB 2.058 42.986 40.800 0.213 0.000 1.382 372 D HN -0.123 nan 8.370 nan 0.000 0.571 373 P HA -0.092 nan 4.420 nan 0.000 0.219 373 P C 1.804 179.171 177.300 0.112 0.000 1.146 373 P CA 0.815 64.046 63.100 0.217 0.000 0.808 373 P CB 0.172 31.981 31.700 0.181 0.000 0.779 374 M N -1.363 118.305 119.600 0.114 0.000 2.149 374 M HA -0.111 4.380 4.480 0.018 0.000 0.261 374 M C 2.034 178.412 176.300 0.130 0.000 1.064 374 M CA 1.623 56.969 55.300 0.078 0.000 1.102 374 M CB -1.551 31.066 32.600 0.028 0.000 1.369 374 M HN 0.042 nan 8.290 nan 0.000 0.408 375 L N -0.828 120.508 121.223 0.188 0.000 2.109 375 L HA -0.170 4.181 4.340 0.018 0.000 0.207 375 L C 2.391 179.407 176.870 0.244 0.000 1.086 375 L CA 0.692 55.695 54.840 0.272 0.000 0.760 375 L CB -0.635 41.660 42.059 0.393 0.000 0.910 375 L HN 0.264 nan 8.230 nan 0.000 0.437 376 L N -0.192 121.084 121.223 0.088 0.000 2.056 376 L HA -0.169 4.182 4.340 0.018 0.000 0.207 376 L C 2.901 179.717 176.870 -0.090 0.000 1.078 376 L CA 1.225 55.997 54.840 -0.113 0.000 0.749 376 L CB -0.724 41.190 42.059 -0.242 0.000 0.901 376 L HN 0.235 nan 8.230 nan 0.000 0.433 377 A N -0.801 121.976 122.820 -0.071 0.000 1.898 377 A HA -0.270 4.061 4.320 0.018 0.000 0.216 377 A C 2.189 179.815 177.584 0.069 0.000 1.181 377 A CA 1.313 53.294 52.037 -0.093 0.000 0.620 377 A CB -0.841 18.131 19.000 -0.047 0.000 0.819 377 A HN 0.456 nan 8.150 nan 0.000 0.442 378 Y N 0.499 120.807 120.300 0.013 0.000 2.224 378 Y HA -0.134 4.426 4.550 0.018 0.000 0.289 378 Y C 1.908 177.836 175.900 0.046 0.000 1.146 378 Y CA 1.686 59.812 58.100 0.044 0.000 1.182 378 Y CB -0.254 38.239 38.460 0.054 0.000 0.983 378 Y HN 0.215 nan 8.280 nan 0.000 0.524 379 L N -0.703 120.553 121.223 0.054 0.000 2.093 379 L HA -0.231 4.120 4.340 0.018 0.000 0.208 379 L C 2.371 179.198 176.870 -0.073 0.000 1.085 379 L CA 1.090 55.913 54.840 -0.028 0.000 0.755 379 L CB -0.529 41.568 42.059 0.063 0.000 0.904 379 L HN 0.284 nan 8.230 nan 0.000 0.435 380 L N -1.067 120.122 121.223 -0.056 0.000 2.141 380 L HA -0.082 4.269 4.340 0.018 0.000 0.209 380 L C 0.260 177.154 176.870 0.040 0.000 1.094 380 L CA 0.827 55.646 54.840 -0.036 0.000 0.763 380 L CB -0.011 42.012 42.059 -0.060 0.000 0.908 380 L HN 0.256 nan 8.230 nan 0.000 0.437 381 D N -2.055 118.354 120.400 0.016 0.000 2.369 381 D HA 0.116 4.767 4.640 0.018 0.000 0.212 381 D C -2.327 173.954 176.300 -0.032 0.000 1.326 381 D CA -1.195 52.844 54.000 0.066 0.000 0.933 381 D CB 1.448 42.290 40.800 0.070 0.000 1.516 381 D HN -0.267 nan 8.370 nan 0.000 0.557 382 P HA -0.018 nan 4.420 nan 0.000 0.239 382 P C 1.086 178.404 177.300 0.030 0.000 1.184 382 P CA 0.525 63.419 63.100 -0.343 0.000 0.760 382 P CB 0.063 31.497 31.700 -0.444 0.000 0.884 383 S N -2.201 113.534 115.700 0.059 0.000 2.561 383 S HA 0.013 4.494 4.470 0.018 0.000 0.225 383 S C 1.006 175.669 174.600 0.106 0.000 0.977 383 S CA -0.029 58.222 58.200 0.085 0.000 0.926 383 S CB -1.023 62.211 63.200 0.055 0.000 0.769 383 S HN -0.003 nan 8.310 nan 0.000 0.533 384 N N 3.116 121.901 118.700 0.141 0.000 2.605 384 N HA 0.160 4.911 4.740 0.018 0.000 0.258 384 N C 0.695 176.328 175.510 0.206 0.000 1.156 384 N CA 0.579 53.728 53.050 0.166 0.000 1.008 384 N CB 1.129 39.737 38.487 0.201 0.000 1.354 384 N HN 0.675 nan 8.380 nan 0.000 0.509 385 T N -3.432 111.196 114.554 0.124 0.000 2.975 385 T HA 0.067 4.428 4.350 0.018 0.000 0.257 385 T C 0.852 175.545 174.700 -0.011 0.000 1.003 385 T CA -0.084 62.065 62.100 0.081 0.000 0.932 385 T CB 0.217 69.135 68.868 0.083 0.000 1.087 385 T HN 0.340 nan 8.240 nan 0.000 0.512 386 T N -0.359 114.173 114.554 -0.037 0.000 2.907 386 T HA 0.585 4.945 4.350 0.018 0.000 0.292 386 T C -2.417 172.163 174.700 -0.199 0.000 1.043 386 T CA -1.878 60.146 62.100 -0.127 0.000 1.003 386 T CB 2.478 71.282 68.868 -0.107 0.000 1.084 386 T HN -0.233 nan 8.240 nan 0.000 0.483 387 P HA 0.067 nan 4.420 nan 0.000 0.225 387 P C 0.884 177.953 177.300 -0.386 0.000 1.156 387 P CA 0.739 63.505 63.100 -0.557 0.000 0.787 387 P CB 0.311 31.215 31.700 -1.327 0.000 0.802 388 E N 0.512 120.512 120.200 -0.334 0.000 2.038 388 E HA -0.114 4.247 4.350 0.018 0.000 0.195 388 E C 2.387 178.978 176.600 -0.014 0.000 1.000 388 E CA 1.947 58.311 56.400 -0.060 0.000 0.803 388 E CB -1.277 28.418 29.700 -0.009 0.000 0.750 388 E HN 0.267 nan 8.360 nan 0.000 0.448 389 G N 0.094 108.871 108.800 -0.038 0.000 2.404 389 G HA2 -0.204 3.767 3.960 0.018 0.000 0.215 389 G HA3 -0.204 3.767 3.960 0.018 0.000 0.215 389 G C 1.747 176.648 174.900 0.002 0.000 1.174 389 G CA 0.762 45.853 45.100 -0.016 0.000 0.780 389 G HN 0.167 nan 8.290 nan 0.000 0.537 390 V N 1.651 121.587 119.914 0.037 0.000 2.332 390 V HA -0.159 3.972 4.120 0.018 0.000 0.248 390 V C 3.318 179.515 176.094 0.172 0.000 1.055 390 V CA 2.053 64.451 62.300 0.164 0.000 1.038 390 V CB -0.811 31.095 31.823 0.137 0.000 0.651 390 V HN 0.480 nan 8.190 nan 0.000 0.450 391 A N -0.104 122.774 122.820 0.096 0.000 1.858 391 A HA -0.246 4.085 4.320 0.018 0.000 0.216 391 A C 2.304 179.930 177.584 0.070 0.000 1.190 391 A CA 2.039 54.147 52.037 0.119 0.000 0.617 391 A CB -0.551 18.547 19.000 0.163 0.000 0.827 391 A HN 0.414 nan 8.150 nan 0.000 0.443 392 R N -0.613 119.905 120.500 0.030 0.000 2.127 392 R HA -0.058 4.293 4.340 0.018 0.000 0.238 392 R C 2.299 178.547 176.300 -0.086 0.000 1.134 392 R CA 1.812 57.904 56.100 -0.014 0.000 0.975 392 R CB -0.414 29.875 30.300 -0.019 0.000 0.865 392 R HN 0.618 nan 8.270 nan 0.000 0.447 393 R N -1.720 118.677 120.500 -0.170 0.000 2.127 393 R HA -0.029 4.321 4.340 0.018 0.000 0.217 393 R C 0.463 176.412 176.300 -0.586 0.000 1.074 393 R CA 1.033 56.866 56.100 -0.445 0.000 0.991 393 R CB 0.240 30.137 30.300 -0.672 0.000 0.895 393 R HN 0.230 nan 8.270 nan 0.000 0.450 394 Y N -1.380 118.917 120.300 -0.006 0.000 2.682 394 Y HA 0.399 4.960 4.550 0.018 0.000 0.251 394 Y C 0.265 176.164 175.900 -0.001 0.000 1.172 394 Y CA -0.004 58.090 58.100 -0.009 0.000 1.186 394 Y CB 1.856 40.309 38.460 -0.012 0.000 1.216 394 Y HN 0.198 nan 8.280 nan 0.000 0.540 395 G N -0.281 108.574 108.800 0.091 0.000 2.610 395 G HA2 0.329 4.300 3.960 0.018 0.000 0.136 395 G HA3 0.329 4.300 3.960 0.018 0.000 0.136 395 G C 0.060 174.996 174.900 0.061 0.000 1.070 395 G CA -0.209 44.929 45.100 0.063 0.000 0.812 395 G HN 0.832 nan 8.290 nan 0.000 0.495 396 G N -0.893 107.943 108.800 0.060 0.000 2.356 396 G HA2 0.693 4.664 3.960 0.018 0.000 0.281 396 G HA3 0.693 4.664 3.960 0.018 0.000 0.281 396 G C -1.474 173.470 174.900 0.074 0.000 1.246 396 G CA 0.393 45.531 45.100 0.063 0.000 0.889 396 G HN 0.920 nan 8.290 nan 0.000 0.486 397 E N -0.307 119.950 120.200 0.094 0.000 2.307 397 E HA 0.212 4.573 4.350 0.018 0.000 0.280 397 E C -1.419 175.279 176.600 0.164 0.000 0.900 397 E CA -0.801 55.666 56.400 0.111 0.000 0.790 397 E CB 1.632 31.367 29.700 0.058 0.000 1.261 397 E HN 0.614 nan 8.360 nan 0.000 0.405 398 W N 7.603 128.899 121.300 -0.007 0.000 2.659 398 W HA 0.073 4.744 4.660 0.018 0.000 0.342 398 W C -0.140 176.365 176.519 -0.023 0.000 1.287 398 W CA 0.319 57.653 57.345 -0.017 0.000 1.460 398 W CB 0.508 29.959 29.460 -0.015 0.000 1.503 398 W HN 0.640 nan 8.180 nan 0.000 0.483 399 T N 1.537 115.873 114.554 -0.363 0.000 2.902 399 T HA 0.264 4.625 4.350 0.018 0.000 0.287 399 T C 0.336 174.693 174.700 -0.571 0.000 1.048 399 T CA -0.385 61.509 62.100 -0.343 0.000 0.941 399 T CB 1.546 70.285 68.868 -0.215 0.000 1.432 399 T HN 0.362 nan 8.240 nan 0.000 0.586 400 E N 0.487 120.471 120.200 -0.361 0.000 2.736 400 E HA 0.277 4.638 4.350 0.018 0.000 0.208 400 E C -0.455 175.988 176.600 -0.262 0.000 0.996 400 E CA -0.130 56.069 56.400 -0.336 0.000 1.104 400 E CB 0.465 30.048 29.700 -0.195 0.000 1.111 400 E HN 0.577 nan 8.360 nan 0.000 0.455 401 E N 0.230 120.265 120.200 -0.276 0.000 2.224 401 E HA 0.435 4.796 4.350 0.018 0.000 0.265 401 E C 0.261 176.748 176.600 -0.189 0.000 0.878 401 E CA -0.353 55.936 56.400 -0.185 0.000 0.759 401 E CB 1.876 31.498 29.700 -0.130 0.000 1.164 401 E HN 0.020 nan 8.360 nan 0.000 0.414 402 A N 3.937 126.676 122.820 -0.135 0.000 1.908 402 A HA -0.128 4.203 4.320 0.018 0.000 0.218 402 A C 1.820 179.381 177.584 -0.037 0.000 1.181 402 A CA 2.111 54.092 52.037 -0.093 0.000 0.627 402 A CB -0.826 18.153 19.000 -0.036 0.000 0.818 402 A HN 0.717 nan 8.150 nan 0.000 0.445 403 G N -0.425 108.363 108.800 -0.019 0.000 2.459 403 G HA2 -0.252 3.719 3.960 0.018 0.000 0.217 403 G HA3 -0.252 3.719 3.960 0.018 0.000 0.217 403 G C 1.410 176.310 174.900 -0.000 0.000 1.183 403 G CA 1.023 46.133 45.100 0.018 0.000 0.776 403 G HN 0.663 nan 8.290 nan 0.000 0.552 404 E N 0.022 120.195 120.200 -0.044 0.000 2.153 404 E HA -0.085 4.276 4.350 0.018 0.000 0.194 404 E C 2.729 179.296 176.600 -0.055 0.000 0.988 404 E CA 0.465 56.834 56.400 -0.052 0.000 0.811 404 E CB -0.074 29.576 29.700 -0.083 0.000 0.746 404 E HN 0.363 nan 8.360 nan 0.000 0.466 405 R N 0.301 120.739 120.500 -0.104 0.000 2.090 405 R HA -0.021 4.330 4.340 0.018 0.000 0.228 405 R C 2.368 178.700 176.300 0.053 0.000 1.110 405 R CA 0.947 56.993 56.100 -0.089 0.000 0.973 405 R CB -0.174 29.966 30.300 -0.266 0.000 0.869 405 R HN 0.084 nan 8.270 nan 0.000 0.440 406 A N 1.211 124.076 122.820 0.075 0.000 1.902 406 A HA -0.123 4.208 4.320 0.018 0.000 0.217 406 A C 2.332 179.983 177.584 0.111 0.000 1.181 406 A CA 1.749 53.874 52.037 0.148 0.000 0.623 406 A CB -0.609 18.498 19.000 0.179 0.000 0.818 406 A HN 0.392 nan 8.150 nan 0.000 0.443 407 A N -0.637 122.222 122.820 0.065 0.000 1.898 407 A HA 0.017 4.348 4.320 0.018 0.000 0.216 407 A C 2.119 179.706 177.584 0.006 0.000 1.181 407 A CA 1.615 53.671 52.037 0.032 0.000 0.620 407 A CB -0.590 18.424 19.000 0.023 0.000 0.819 407 A HN 0.695 nan 8.150 nan 0.000 0.442 408 L N 0.003 121.245 121.223 0.032 0.000 2.083 408 L HA -0.107 4.244 4.340 0.018 0.000 0.209 408 L C 2.450 179.341 176.870 0.036 0.000 1.083 408 L CA 2.480 57.353 54.840 0.055 0.000 0.752 408 L CB -0.555 41.574 42.059 0.117 0.000 0.899 408 L HN 0.281 nan 8.230 nan 0.000 0.433 409 S N -0.624 115.099 115.700 0.039 0.000 2.368 409 S HA -0.234 4.247 4.470 0.018 0.000 0.225 409 S C 1.866 176.244 174.600 -0.370 0.000 1.030 409 S CA 1.474 59.669 58.200 -0.008 0.000 0.999 409 S CB -0.321 62.964 63.200 0.143 0.000 0.844 409 S HN 0.601 nan 8.310 nan 0.000 0.459 410 E N 1.126 120.999 120.200 -0.544 0.000 2.051 410 E HA -0.158 4.203 4.350 0.018 0.000 0.192 410 E C 2.361 178.717 176.600 -0.408 0.000 0.991 410 E CA 0.874 56.712 56.400 -0.936 0.000 0.799 410 E CB -0.002 29.460 29.700 -0.396 0.000 0.748 410 E HN 0.342 nan 8.360 nan 0.000 0.449 411 R N 0.138 120.535 120.500 -0.173 0.000 2.070 411 R HA -0.112 4.239 4.340 0.018 0.000 0.233 411 R C 2.659 178.942 176.300 -0.028 0.000 1.137 411 R CA 1.328 57.392 56.100 -0.060 0.000 0.945 411 R CB -0.427 29.865 30.300 -0.013 0.000 0.845 411 R HN 0.291 nan 8.270 nan 0.000 0.430 412 L N -0.296 120.921 121.223 -0.011 0.000 2.079 412 L HA -0.217 4.134 4.340 0.018 0.000 0.210 412 L C 2.392 179.267 176.870 0.008 0.000 1.081 412 L CA 1.284 56.140 54.840 0.028 0.000 0.752 412 L CB -0.437 41.661 42.059 0.065 0.000 0.896 412 L HN 0.163 nan 8.230 nan 0.000 0.433 413 F N 0.699 120.559 119.950 -0.149 0.000 2.146 413 F HA -0.183 4.354 4.527 0.018 0.000 0.298 413 F C 2.464 178.256 175.800 -0.013 0.000 1.096 413 F CA 1.176 59.121 58.000 -0.091 0.000 1.275 413 F CB -0.228 38.682 39.000 -0.150 0.000 1.008 413 F HN -0.007 nan 8.300 nan 0.000 0.480 414 A N 0.438 123.291 122.820 0.055 0.000 1.873 414 A HA -0.302 4.029 4.320 0.018 0.000 0.218 414 A C 2.125 179.708 177.584 -0.002 0.000 1.193 414 A CA 2.181 54.247 52.037 0.047 0.000 0.629 414 A CB -1.295 17.741 19.000 0.059 0.000 0.826 414 A HN 0.523 nan 8.150 nan 0.000 0.447 415 N N -0.046 118.644 118.700 -0.017 0.000 2.084 415 N HA -0.069 4.681 4.740 0.018 0.000 0.190 415 N C 1.636 177.093 175.510 -0.088 0.000 1.030 415 N CA 1.682 54.722 53.050 -0.016 0.000 0.849 415 N CB -0.471 38.034 38.487 0.030 0.000 1.012 415 N HN 0.463 nan 8.380 nan 0.000 0.423 416 L N -0.749 120.367 121.223 -0.179 0.000 2.046 416 L HA -0.164 4.187 4.340 0.018 0.000 0.208 416 L C 2.381 179.091 176.870 -0.267 0.000 1.077 416 L CA 0.930 55.586 54.840 -0.307 0.000 0.747 416 L CB -0.472 41.365 42.059 -0.371 0.000 0.896 416 L HN 0.397 nan 8.230 nan 0.000 0.432 417 W N 1.064 122.052 121.300 -0.521 0.000 2.342 417 W HA -0.181 4.490 4.660 0.018 0.000 0.297 417 W C 2.016 178.373 176.519 -0.270 0.000 1.213 417 W CA 1.513 58.560 57.345 -0.497 0.000 1.251 417 W CB -0.177 28.899 29.460 -0.641 0.000 1.136 417 W HN 0.230 nan 8.180 nan 0.000 0.526 418 G N 0.898 109.634 108.800 -0.106 0.000 2.421 418 G HA2 -0.282 3.688 3.960 0.018 0.000 0.216 418 G HA3 -0.282 3.688 3.960 0.018 0.000 0.216 418 G C 1.505 176.300 174.900 -0.176 0.000 1.171 418 G CA 0.690 45.721 45.100 -0.115 0.000 0.775 418 G HN 0.066 nan 8.290 nan 0.000 0.543 419 R N 0.089 120.484 120.500 -0.174 0.000 2.193 419 R HA 0.128 4.479 4.340 0.018 0.000 0.229 419 R C 2.245 178.416 176.300 -0.214 0.000 1.110 419 R CA 0.326 56.331 56.100 -0.157 0.000 0.988 419 R CB -0.781 29.434 30.300 -0.142 0.000 0.871 419 R HN 0.384 nan 8.270 nan 0.000 0.458 420 L N 0.877 121.898 121.223 -0.337 0.000 2.592 420 L HA 0.104 4.455 4.340 0.018 0.000 0.227 420 L C 0.130 176.746 176.870 -0.424 0.000 1.127 420 L CA 0.050 54.655 54.840 -0.392 0.000 0.884 420 L CB 0.041 41.784 42.059 -0.526 0.000 1.065 420 L HN 0.097 nan 8.230 nan 0.000 0.457 421 E N 0.188 120.142 120.200 -0.409 0.000 2.351 421 E HA 0.167 4.528 4.350 0.018 0.000 0.266 421 E C 0.996 177.487 176.600 -0.181 0.000 1.031 421 E CA 0.683 56.896 56.400 -0.312 0.000 0.911 421 E CB 0.577 30.136 29.700 -0.234 0.000 0.986 421 E HN 0.350 nan 8.360 nan 0.000 0.446 422 G N 3.619 112.334 108.800 -0.140 0.000 2.258 422 G HA2 -0.245 3.726 3.960 0.018 0.000 0.233 422 G HA3 -0.245 3.726 3.960 0.018 0.000 0.233 422 G C 0.184 175.044 174.900 -0.068 0.000 1.006 422 G CA -0.420 44.633 45.100 -0.079 0.000 0.620 422 G HN 0.544 nan 8.290 nan 0.000 0.511 423 E N 1.638 121.778 120.200 -0.100 0.000 1.972 423 E HA 0.217 4.578 4.350 0.018 0.000 0.292 423 E C 1.056 177.631 176.600 -0.042 0.000 1.193 423 E CA -0.223 56.133 56.400 -0.073 0.000 1.228 423 E CB 0.496 30.134 29.700 -0.103 0.000 1.167 423 E HN 0.492 nan 8.360 nan 0.000 0.479 424 E N 0.969 121.166 120.200 -0.006 0.000 2.150 424 E HA -0.137 4.224 4.350 0.018 0.000 0.193 424 E C 1.603 178.266 176.600 0.105 0.000 0.985 424 E CA 0.799 57.223 56.400 0.040 0.000 0.814 424 E CB 0.109 29.834 29.700 0.041 0.000 0.752 424 E HN 0.368 nan 8.360 nan 0.000 0.466 425 R N 0.146 120.694 120.500 0.081 0.000 2.119 425 R HA 0.087 4.438 4.340 0.018 0.000 0.222 425 R C 2.561 178.980 176.300 0.198 0.000 1.088 425 R CA 0.511 56.683 56.100 0.120 0.000 0.984 425 R CB -0.193 30.138 30.300 0.052 0.000 0.884 425 R HN 0.133 nan 8.270 nan 0.000 0.447 426 L N 0.529 121.821 121.223 0.115 0.000 2.156 426 L HA -0.110 4.241 4.340 0.018 0.000 0.208 426 L C 2.249 179.208 176.870 0.148 0.000 1.095 426 L CA 0.891 55.796 54.840 0.108 0.000 0.770 426 L CB -0.230 41.835 42.059 0.010 0.000 0.914 426 L HN 0.202 nan 8.230 nan 0.000 0.439 427 L N -1.590 119.703 121.223 0.117 0.000 2.093 427 L HA -0.221 4.130 4.340 0.018 0.000 0.208 427 L C 2.360 179.385 176.870 0.257 0.000 1.085 427 L CA 1.304 56.224 54.840 0.133 0.000 0.755 427 L CB -0.352 41.723 42.059 0.027 0.000 0.904 427 L HN 0.392 nan 8.230 nan 0.000 0.435 428 W N 0.269 121.623 121.300 0.090 0.000 2.388 428 W HA -0.197 4.474 4.660 0.018 0.000 0.294 428 W C 2.150 178.717 176.519 0.081 0.000 1.212 428 W CA 1.230 58.631 57.345 0.092 0.000 1.271 428 W CB 0.018 29.530 29.460 0.086 0.000 1.126 428 W HN -0.019 nan 8.180 nan 0.000 0.535 429 L N -0.501 120.964 121.223 0.403 0.000 2.093 429 L HA -0.221 4.130 4.340 0.018 0.000 0.208 429 L C 2.382 179.293 176.870 0.069 0.000 1.085 429 L CA 1.406 56.376 54.840 0.218 0.000 0.755 429 L CB -0.928 41.293 42.059 0.270 0.000 0.904 429 L HN 0.108 nan 8.230 nan 0.000 0.435 430 Y N 0.556 120.875 120.300 0.032 0.000 2.220 430 Y HA -0.163 4.398 4.550 0.018 0.000 0.291 430 Y C 2.686 178.585 175.900 -0.002 0.000 1.129 430 Y CA 1.415 59.543 58.100 0.047 0.000 1.161 430 Y CB -0.029 38.504 38.460 0.121 0.000 0.997 430 Y HN -0.058 nan 8.280 nan 0.000 0.522 431 R N -0.264 120.198 120.500 -0.065 0.000 2.075 431 R HA -0.057 4.294 4.340 0.018 0.000 0.226 431 R C 1.824 177.934 176.300 -0.316 0.000 1.114 431 R CA 1.329 57.320 56.100 -0.182 0.000 0.972 431 R CB -0.038 30.256 30.300 -0.010 0.000 0.869 431 R HN 0.316 nan 8.270 nan 0.000 0.437 432 E N -0.185 119.723 120.200 -0.487 0.000 2.340 432 E HA 0.004 4.365 4.350 0.018 0.000 0.194 432 E C 1.587 177.880 176.600 -0.512 0.000 0.996 432 E CA 0.629 56.645 56.400 -0.642 0.000 0.869 432 E CB 0.627 29.532 29.700 -1.326 0.000 0.835 432 E HN 0.122 nan 8.360 nan 0.000 0.493 433 V N 0.615 120.280 119.914 -0.415 0.000 3.444 433 V HA -0.021 4.110 4.120 0.018 0.000 0.210 433 V C 1.935 177.911 176.094 -0.197 0.000 1.217 433 V CA 0.155 62.288 62.300 -0.278 0.000 1.302 433 V CB -0.123 31.560 31.823 -0.233 0.000 1.341 433 V HN -0.054 nan 8.190 nan 0.000 0.522 434 E N 0.991 121.105 120.200 -0.143 0.000 2.038 434 E HA -0.245 4.116 4.350 0.018 0.000 0.195 434 E C 2.145 178.637 176.600 -0.180 0.000 1.000 434 E CA 1.734 58.079 56.400 -0.093 0.000 0.803 434 E CB -0.339 29.389 29.700 0.047 0.000 0.750 434 E HN 0.393 nan 8.360 nan 0.000 0.448 435 R N 0.494 120.780 120.500 -0.357 0.000 2.070 435 R HA -0.104 4.247 4.340 0.018 0.000 0.233 435 R C -0.629 175.525 176.300 -0.243 0.000 1.137 435 R CA 1.670 57.541 56.100 -0.382 0.000 0.945 435 R CB -0.893 29.008 30.300 -0.666 0.000 0.845 435 R HN 0.143 nan 8.270 nan 0.000 0.430 436 P HA -0.145 nan 4.420 nan 0.000 0.217 436 P C 1.330 178.522 177.300 -0.179 0.000 1.150 436 P CA 0.846 63.835 63.100 -0.183 0.000 0.832 436 P CB -0.134 31.461 31.700 -0.175 0.000 0.787 437 L N 0.736 121.855 121.223 -0.174 0.000 2.083 437 L HA -0.146 4.205 4.340 0.018 0.000 0.209 437 L C 2.335 179.107 176.870 -0.164 0.000 1.083 437 L CA 2.327 57.067 54.840 -0.165 0.000 0.752 437 L CB -1.466 40.513 42.059 -0.133 0.000 0.899 437 L HN 0.008 nan 8.230 nan 0.000 0.433 438 S N -0.690 114.928 115.700 -0.136 0.000 2.399 438 S HA -0.133 4.348 4.470 0.018 0.000 0.231 438 S C 2.106 176.625 174.600 -0.136 0.000 1.022 438 S CA 0.828 58.963 58.200 -0.109 0.000 0.983 438 S CB -0.935 62.221 63.200 -0.074 0.000 0.803 438 S HN 0.524 nan 8.310 nan 0.000 0.480 439 A N 1.615 124.337 122.820 -0.163 0.000 1.898 439 A HA 0.099 4.429 4.320 0.018 0.000 0.216 439 A C 2.422 179.853 177.584 -0.254 0.000 1.181 439 A CA 1.540 53.473 52.037 -0.174 0.000 0.620 439 A CB -1.125 17.792 19.000 -0.138 0.000 0.819 439 A HN 0.451 nan 8.150 nan 0.000 0.442 440 V N 0.301 119.971 119.914 -0.407 0.000 2.343 440 V HA -0.265 3.866 4.120 0.018 0.000 0.247 440 V C 2.553 178.437 176.094 -0.350 0.000 1.051 440 V CA 1.953 63.845 62.300 -0.680 0.000 1.036 440 V CB -0.783 30.706 31.823 -0.557 0.000 0.654 440 V HN 0.560 nan 8.190 nan 0.000 0.451 441 L N -0.061 121.032 121.223 -0.218 0.000 2.093 441 L HA -0.127 4.224 4.340 0.018 0.000 0.208 441 L C 2.750 179.604 176.870 -0.026 0.000 1.085 441 L CA 1.407 56.183 54.840 -0.106 0.000 0.755 441 L CB -0.825 41.203 42.059 -0.052 0.000 0.904 441 L HN 0.370 nan 8.230 nan 0.000 0.435 442 A N -0.398 122.366 122.820 -0.094 0.000 1.908 442 A HA -0.262 4.069 4.320 0.018 0.000 0.218 442 A C 1.954 179.463 177.584 -0.125 0.000 1.181 442 A CA 1.797 53.761 52.037 -0.122 0.000 0.627 442 A CB -0.810 18.061 19.000 -0.215 0.000 0.818 442 A HN 0.436 nan 8.150 nan 0.000 0.445 443 H N -1.005 118.018 119.070 -0.077 0.000 2.326 443 H HA -0.024 4.543 4.556 0.018 0.000 0.301 443 H C 2.226 177.586 175.328 0.054 0.000 1.081 443 H CA 2.044 58.094 56.048 0.004 0.000 1.334 443 H CB -0.207 29.590 29.762 0.057 0.000 1.385 443 H HN 0.437 nan 8.280 nan 0.000 0.504 444 M N 0.150 119.847 119.600 0.161 0.000 2.080 444 M HA -0.203 4.288 4.480 0.018 0.000 0.260 444 M C 2.039 178.458 176.300 0.199 0.000 1.068 444 M CA 1.696 57.090 55.300 0.157 0.000 1.109 444 M CB -0.179 32.469 32.600 0.080 0.000 1.342 444 M HN 0.340 nan 8.290 nan 0.000 0.405 445 E N 0.351 120.676 120.200 0.208 0.000 2.077 445 E HA -0.169 4.191 4.350 0.018 0.000 0.193 445 E C 2.075 178.786 176.600 0.185 0.000 0.989 445 E CA 1.340 57.853 56.400 0.188 0.000 0.800 445 E CB -0.172 29.607 29.700 0.131 0.000 0.746 445 E HN 0.540 nan 8.360 nan 0.000 0.452 446 A N 0.576 123.458 122.820 0.102 0.000 2.066 446 A HA -0.086 4.245 4.320 0.018 0.000 0.218 446 A C 2.207 179.886 177.584 0.158 0.000 1.157 446 A CA 1.285 53.356 52.037 0.057 0.000 0.670 446 A CB -0.312 18.668 19.000 -0.034 0.000 0.804 446 A HN 0.137 nan 8.150 nan 0.000 0.453 447 T N -0.658 113.977 114.554 0.135 0.000 2.852 447 T HA 0.383 4.744 4.350 0.018 0.000 0.256 447 T C 1.328 175.971 174.700 -0.096 0.000 1.038 447 T CA 1.119 63.250 62.100 0.052 0.000 1.141 447 T CB -0.587 68.301 68.868 0.033 0.000 0.869 447 T HN 1.454 nan 8.240 nan 0.000 0.439 448 G N 0.585 109.262 108.800 -0.206 0.000 2.804 448 G HA2 -0.095 3.876 3.960 0.018 0.000 0.230 448 G HA3 -0.095 3.876 3.960 0.018 0.000 0.230 448 G C -0.586 174.144 174.900 -0.283 0.000 1.386 448 G CA -0.335 44.436 45.100 -0.547 0.000 0.875 448 G HN 0.866 nan 8.290 nan 0.000 0.557 449 V N 0.109 119.881 119.914 -0.236 0.000 2.789 449 V HA 0.815 4.946 4.120 0.018 0.000 0.311 449 V C 0.634 176.663 176.094 -0.109 0.000 1.073 449 V CA -0.318 61.913 62.300 -0.114 0.000 0.921 449 V CB 1.750 33.582 31.823 0.016 0.000 1.009 449 V HN 1.194 nan 8.190 nan 0.000 0.426 450 R N 3.723 124.162 120.500 -0.103 0.000 2.490 450 R HA 0.567 4.918 4.340 0.018 0.000 0.280 450 R C -1.353 174.874 176.300 -0.122 0.000 1.077 450 R CA -0.312 55.725 56.100 -0.104 0.000 1.065 450 R CB 1.088 31.326 30.300 -0.102 0.000 1.003 450 R HN 0.665 nan 8.270 nan 0.000 0.470 451 L N 2.736 123.870 121.223 -0.147 0.000 2.381 451 L HA 0.284 4.635 4.340 0.018 0.000 0.268 451 L C -1.100 175.695 176.870 -0.125 0.000 0.997 451 L CA -0.410 54.290 54.840 -0.233 0.000 0.818 451 L CB 1.984 43.875 42.059 -0.280 0.000 1.310 451 L HN 0.613 nan 8.230 nan 0.000 0.416 452 D N 3.263 123.596 120.400 -0.110 0.000 2.517 452 D HA 0.118 4.769 4.640 0.018 0.000 0.220 452 D C 0.961 177.290 176.300 0.048 0.000 1.158 452 D CA 0.102 54.085 54.000 -0.028 0.000 0.992 452 D CB 0.837 41.597 40.800 -0.066 0.000 1.058 452 D HN 0.383 nan 8.370 nan 0.000 0.516 453 V N 3.491 123.418 119.914 0.023 0.000 2.295 453 V HA -0.252 3.878 4.120 0.018 0.000 0.246 453 V C 2.533 178.663 176.094 0.060 0.000 1.049 453 V CA 2.085 64.405 62.300 0.034 0.000 1.024 453 V CB -0.616 31.219 31.823 0.020 0.000 0.648 453 V HN 0.622 nan 8.190 nan 0.000 0.447 454 A N -0.913 121.946 122.820 0.066 0.000 1.940 454 A HA -0.308 4.023 4.320 0.018 0.000 0.219 454 A C 2.162 179.800 177.584 0.090 0.000 1.176 454 A CA 2.297 54.372 52.037 0.064 0.000 0.631 454 A CB -0.830 18.206 19.000 0.060 0.000 0.814 454 A HN 0.699 nan 8.150 nan 0.000 0.446 455 Y N 0.319 120.616 120.300 -0.007 0.000 2.181 455 Y HA -0.127 4.433 4.550 0.018 0.000 0.288 455 Y C 1.905 177.805 175.900 0.000 0.000 1.146 455 Y CA 1.835 59.934 58.100 -0.002 0.000 1.164 455 Y CB -0.210 38.249 38.460 -0.001 0.000 0.982 455 Y HN 0.215 nan 8.280 nan 0.000 0.515 456 L N -0.390 120.865 121.223 0.053 0.000 2.109 456 L HA -0.181 4.169 4.340 0.018 0.000 0.207 456 L C 2.614 179.444 176.870 -0.066 0.000 1.086 456 L CA 0.784 55.602 54.840 -0.037 0.000 0.760 456 L CB -0.479 41.609 42.059 0.049 0.000 0.910 456 L HN 0.124 nan 8.230 nan 0.000 0.437 457 R N 0.416 120.898 120.500 -0.030 0.000 2.080 457 R HA -0.148 4.203 4.340 0.018 0.000 0.236 457 R C 2.299 178.565 176.300 -0.058 0.000 1.137 457 R CA 1.687 57.769 56.100 -0.030 0.000 0.943 457 R CB -1.094 29.201 30.300 -0.010 0.000 0.846 457 R HN 0.353 nan 8.270 nan 0.000 0.431 458 A N 1.119 123.892 122.820 -0.079 0.000 1.930 458 A HA -0.119 4.212 4.320 0.018 0.000 0.217 458 A C 2.218 179.720 177.584 -0.136 0.000 1.175 458 A CA 1.053 53.035 52.037 -0.092 0.000 0.627 458 A CB -0.483 18.466 19.000 -0.086 0.000 0.815 458 A HN 0.219 nan 8.150 nan 0.000 0.443 459 L N -0.253 120.838 121.223 -0.221 0.000 2.083 459 L HA -0.084 4.267 4.340 0.018 0.000 0.209 459 L C 2.545 179.341 176.870 -0.124 0.000 1.083 459 L CA 2.379 57.081 54.840 -0.230 0.000 0.752 459 L CB -0.704 41.145 42.059 -0.350 0.000 0.899 459 L HN 0.342 nan 8.230 nan 0.000 0.433 460 S N -0.912 114.733 115.700 -0.092 0.000 2.368 460 S HA -0.157 4.323 4.470 0.018 0.000 0.225 460 S C 2.000 176.571 174.600 -0.049 0.000 1.030 460 S CA 1.585 59.752 58.200 -0.056 0.000 0.999 460 S CB -0.358 62.819 63.200 -0.038 0.000 0.844 460 S HN 0.518 nan 8.310 nan 0.000 0.459 461 L N 1.083 122.276 121.223 -0.050 0.000 2.083 461 L HA -0.070 4.281 4.340 0.018 0.000 0.209 461 L C 2.724 179.571 176.870 -0.039 0.000 1.083 461 L CA 1.825 56.643 54.840 -0.038 0.000 0.752 461 L CB -0.615 41.423 42.059 -0.034 0.000 0.899 461 L HN 0.495 nan 8.230 nan 0.000 0.433 462 E N 0.490 120.659 120.200 -0.051 0.000 2.047 462 E HA -0.172 4.189 4.350 0.018 0.000 0.191 462 E C 2.173 178.747 176.600 -0.042 0.000 0.987 462 E CA 1.382 57.754 56.400 -0.046 0.000 0.799 462 E CB 0.103 29.768 29.700 -0.058 0.000 0.752 462 E HN 0.239 nan 8.360 nan 0.000 0.449 463 V N 1.316 121.200 119.914 -0.049 0.000 2.626 463 V HA -0.188 3.943 4.120 0.018 0.000 0.252 463 V C 2.448 178.516 176.094 -0.044 0.000 1.067 463 V CA 1.480 63.752 62.300 -0.047 0.000 1.081 463 V CB -0.590 31.203 31.823 -0.050 0.000 0.686 463 V HN 0.457 nan 8.190 nan 0.000 0.468 464 A N -0.081 122.717 122.820 -0.038 0.000 1.902 464 A HA -0.246 4.085 4.320 0.018 0.000 0.217 464 A C 2.199 179.771 177.584 -0.019 0.000 1.181 464 A CA 1.905 53.925 52.037 -0.029 0.000 0.623 464 A CB -0.422 18.565 19.000 -0.022 0.000 0.818 464 A HN 0.601 nan 8.150 nan 0.000 0.443 465 E N -0.938 119.250 120.200 -0.019 0.000 2.072 465 E HA -0.214 4.147 4.350 0.018 0.000 0.191 465 E C 2.070 178.662 176.600 -0.013 0.000 0.985 465 E CA 1.228 57.620 56.400 -0.013 0.000 0.801 465 E CB -0.094 29.598 29.700 -0.014 0.000 0.750 465 E HN 0.665 nan 8.360 nan 0.000 0.452 466 E N 1.184 121.372 120.200 -0.019 0.000 2.110 466 E HA -0.152 4.209 4.350 0.018 0.000 0.193 466 E C 1.798 178.391 176.600 -0.011 0.000 0.988 466 E CA 0.965 57.355 56.400 -0.017 0.000 0.804 466 E CB -0.160 29.526 29.700 -0.023 0.000 0.745 466 E HN 0.245 nan 8.360 nan 0.000 0.458 467 I N 0.180 120.739 120.570 -0.018 0.000 2.315 467 I HA -0.238 3.943 4.170 0.018 0.000 0.248 467 I C 2.289 178.434 176.117 0.046 0.000 1.117 467 I CA 0.944 62.245 61.300 0.002 0.000 1.404 467 I CB -0.327 37.640 38.000 -0.056 0.000 1.071 467 I HN 0.187 nan 8.210 nan 0.000 0.419 468 A N 0.866 123.694 122.820 0.014 0.000 1.902 468 A HA -0.195 4.136 4.320 0.018 0.000 0.217 468 A C 2.380 179.948 177.584 -0.028 0.000 1.181 468 A CA 1.380 53.418 52.037 0.003 0.000 0.623 468 A CB -0.510 18.494 19.000 0.006 0.000 0.818 468 A HN 0.296 nan 8.150 nan 0.000 0.443 469 R N -0.594 119.893 120.500 -0.022 0.000 2.091 469 R HA -0.067 4.284 4.340 0.018 0.000 0.238 469 R C 2.034 178.298 176.300 -0.061 0.000 1.136 469 R CA 1.575 57.655 56.100 -0.033 0.000 0.959 469 R CB -0.494 29.794 30.300 -0.019 0.000 0.856 469 R HN 0.511 nan 8.270 nan 0.000 0.437 470 L N 0.699 121.898 121.223 -0.039 0.000 2.072 470 L HA -0.158 4.193 4.340 0.018 0.000 0.205 470 L C 2.617 179.355 176.870 -0.220 0.000 1.079 470 L CA 1.402 56.211 54.840 -0.052 0.000 0.752 470 L CB -0.500 41.603 42.059 0.074 0.000 0.906 470 L HN 0.346 nan 8.230 nan 0.000 0.436 471 E N 0.667 120.688 120.200 -0.299 0.000 2.152 471 E HA -0.151 4.210 4.350 0.018 0.000 0.192 471 E C 2.154 178.154 176.600 -1.001 0.000 0.983 471 E CA 0.966 56.870 56.400 -0.826 0.000 0.818 471 E CB -0.172 29.117 29.700 -0.685 0.000 0.758 471 E HN 0.360 nan 8.360 nan 0.000 0.467 472 A N 1.781 124.343 122.820 -0.430 0.000 1.902 472 A HA -0.191 4.140 4.320 0.018 0.000 0.217 472 A C 2.170 179.647 177.584 -0.179 0.000 1.181 472 A CA 1.453 53.367 52.037 -0.206 0.000 0.623 472 A CB -0.369 18.591 19.000 -0.067 0.000 0.818 472 A HN 0.163 nan 8.150 nan 0.000 0.443 473 E N -0.114 119.973 120.200 -0.188 0.000 2.051 473 E HA -0.114 4.246 4.350 0.018 0.000 0.192 473 E C 2.250 178.763 176.600 -0.144 0.000 0.991 473 E CA 1.350 57.679 56.400 -0.119 0.000 0.799 473 E CB -0.515 29.131 29.700 -0.090 0.000 0.748 473 E HN 0.350 nan 8.360 nan 0.000 0.449 474 V N 1.222 120.956 119.914 -0.300 0.000 2.332 474 V HA -0.255 3.876 4.120 0.018 0.000 0.248 474 V C 2.207 178.241 176.094 -0.101 0.000 1.055 474 V CA 1.660 63.797 62.300 -0.272 0.000 1.038 474 V CB -0.609 30.909 31.823 -0.507 0.000 0.651 474 V HN 0.127 nan 8.190 nan 0.000 0.450 475 F N 0.209 120.066 119.950 -0.155 0.000 2.186 475 F HA -0.029 4.509 4.527 0.019 0.000 0.299 475 F C 2.490 178.259 175.800 -0.052 0.000 1.090 475 F CA 1.276 59.197 58.000 -0.132 0.000 1.307 475 F CB -0.983 37.917 39.000 -0.167 0.000 1.019 475 F HN 0.049 nan 8.300 nan 0.000 0.489 476 R N 0.659 121.239 120.500 0.133 0.000 2.081 476 R HA -0.133 4.218 4.340 0.018 0.000 0.235 476 R C 2.133 178.488 176.300 0.091 0.000 1.131 476 R CA 1.271 57.427 56.100 0.094 0.000 0.960 476 R CB -0.452 29.881 30.300 0.054 0.000 0.856 476 R HN 0.290 nan 8.270 nan 0.000 0.436 477 L N -0.037 121.237 121.223 0.085 0.000 2.141 477 L HA -0.049 4.302 4.340 0.018 0.000 0.209 477 L C 2.510 179.448 176.870 0.114 0.000 1.094 477 L CA 1.021 55.932 54.840 0.118 0.000 0.763 477 L CB -0.346 41.800 42.059 0.145 0.000 0.908 477 L HN 0.303 nan 8.230 nan 0.000 0.437 478 A N -0.506 122.370 122.820 0.094 0.000 2.067 478 A HA 0.168 4.499 4.320 0.018 0.000 0.217 478 A C 1.850 179.493 177.584 0.098 0.000 1.156 478 A CA 0.955 53.022 52.037 0.050 0.000 0.683 478 A CB -0.422 18.617 19.000 0.065 0.000 0.808 478 A HN 0.510 nan 8.150 nan 0.000 0.455 479 G N -1.107 107.767 108.800 0.123 0.000 2.143 479 G HA2 -0.174 3.797 3.960 0.018 0.000 0.249 479 G HA3 -0.174 3.797 3.960 0.018 0.000 0.249 479 G C 0.068 175.120 174.900 0.253 0.000 0.981 479 G CA 1.049 46.251 45.100 0.170 0.000 0.665 479 G HN 2.141 nan 8.290 nan 0.000 0.528 480 H N -3.207 115.930 119.070 0.112 0.000 2.961 480 H HA 0.598 5.165 4.556 0.018 0.000 0.278 480 H C -3.310 172.036 175.328 0.031 0.000 1.338 480 H CA -1.088 54.993 56.048 0.055 0.000 1.373 480 H CB 0.382 30.160 29.762 0.028 0.000 1.915 480 H HN 0.158 nan 8.280 nan 0.000 0.500 481 P HA 0.353 nan 4.420 nan 0.000 0.277 481 P C -1.051 176.020 177.300 -0.382 0.000 1.240 481 P CA -0.187 62.389 63.100 -0.873 0.000 0.798 481 P CB 1.017 32.283 31.700 -0.723 0.000 0.979 482 F N -1.805 117.671 119.950 -0.790 0.000 2.817 482 F HA 0.452 4.989 4.527 0.018 0.000 0.317 482 F C -0.825 174.879 175.800 -0.161 0.000 1.168 482 F CA -1.458 56.374 58.000 -0.279 0.000 0.911 482 F CB 0.283 39.223 39.000 -0.100 0.000 1.337 482 F HN 0.042 nan 8.300 nan 0.000 0.464 483 N N 1.994 120.749 118.700 0.093 0.000 2.400 483 N HA 0.085 4.836 4.740 0.018 0.000 0.267 483 N C 0.522 176.087 175.510 0.092 0.000 1.208 483 N CA -0.135 52.950 53.050 0.058 0.000 0.951 483 N CB 0.812 39.359 38.487 0.101 0.000 1.227 483 N HN 0.845 nan 8.380 nan 0.000 0.488 484 L N 3.886 125.041 121.223 -0.113 0.000 2.362 484 L HA 0.054 4.405 4.340 0.018 0.000 0.219 484 L C 1.167 178.083 176.870 0.077 0.000 1.134 484 L CA 1.303 56.043 54.840 -0.167 0.000 0.807 484 L CB -0.443 41.250 42.059 -0.611 0.000 0.927 484 L HN 0.480 nan 8.230 nan 0.000 0.447 485 N N -1.255 117.532 118.700 0.145 0.000 2.457 485 N HA -0.025 4.726 4.740 0.018 0.000 0.180 485 N C 0.608 176.202 175.510 0.140 0.000 1.050 485 N CA 0.582 53.738 53.050 0.177 0.000 0.906 485 N CB 0.019 38.593 38.487 0.145 0.000 0.968 485 N HN 0.294 nan 8.380 nan 0.000 0.445 486 S N 0.980 116.767 115.700 0.145 0.000 2.411 486 S HA 0.223 4.703 4.470 0.018 0.000 0.294 486 S C 1.154 175.837 174.600 0.138 0.000 1.115 486 S CA -0.786 57.491 58.200 0.129 0.000 1.071 486 S CB 0.789 64.063 63.200 0.124 0.000 0.967 486 S HN 0.210 nan 8.310 nan 0.000 0.488 487 R N 3.771 124.338 120.500 0.111 0.000 2.237 487 R HA 0.083 4.434 4.340 0.018 0.000 0.219 487 R C 0.764 177.118 176.300 0.089 0.000 1.080 487 R CA 1.190 57.352 56.100 0.104 0.000 0.995 487 R CB -0.519 29.838 30.300 0.095 0.000 0.875 487 R HN 0.417 nan 8.270 nan 0.000 0.462 488 D N 1.195 121.643 120.400 0.080 0.000 2.103 488 D HA -0.112 4.539 4.640 0.018 0.000 0.199 488 D C 1.849 178.175 176.300 0.042 0.000 0.978 488 D CA 1.296 55.334 54.000 0.063 0.000 0.829 488 D CB -0.209 40.623 40.800 0.054 0.000 0.981 488 D HN 0.412 nan 8.370 nan 0.000 0.464 489 Q N -0.154 119.680 119.800 0.057 0.000 2.119 489 Q HA -0.093 4.258 4.340 0.018 0.000 0.201 489 Q C 2.186 178.117 176.000 -0.116 0.000 0.972 489 Q CA 0.533 56.343 55.803 0.011 0.000 0.847 489 Q CB -0.083 28.738 28.738 0.138 0.000 0.903 489 Q HN 0.166 nan 8.270 nan 0.000 0.433 490 L N 1.234 122.465 121.223 0.012 0.000 2.131 490 L HA -0.179 4.171 4.340 0.018 0.000 0.210 490 L C 2.182 178.962 176.870 -0.150 0.000 1.092 490 L CA 1.801 56.617 54.840 -0.041 0.000 0.759 490 L CB -0.378 41.750 42.059 0.116 0.000 0.903 490 L HN 0.205 nan 8.230 nan 0.000 0.435 491 E N -0.565 119.607 120.200 -0.046 0.000 2.077 491 E HA -0.293 4.068 4.350 0.018 0.000 0.193 491 E C 2.389 178.980 176.600 -0.014 0.000 0.989 491 E CA 1.143 57.560 56.400 0.028 0.000 0.800 491 E CB -0.099 29.702 29.700 0.168 0.000 0.746 491 E HN 0.485 nan 8.360 nan 0.000 0.452 492 R N -0.094 120.374 120.500 -0.053 0.000 2.073 492 R HA -0.111 4.239 4.340 0.018 0.000 0.234 492 R C 2.431 178.645 176.300 -0.142 0.000 1.134 492 R CA 1.381 57.443 56.100 -0.062 0.000 0.952 492 R CB -0.138 30.118 30.300 -0.072 0.000 0.850 492 R HN 0.098 nan 8.270 nan 0.000 0.433 493 V N 1.160 120.904 119.914 -0.284 0.000 2.295 493 V HA -0.270 3.860 4.120 0.018 0.000 0.246 493 V C 2.298 178.214 176.094 -0.296 0.000 1.049 493 V CA 1.748 63.847 62.300 -0.335 0.000 1.024 493 V CB -0.379 31.059 31.823 -0.641 0.000 0.648 493 V HN 0.344 nan 8.190 nan 0.000 0.447 494 L N -1.625 119.349 121.223 -0.414 0.000 2.027 494 L HA -0.097 4.254 4.340 0.018 0.000 0.206 494 L C 2.216 178.793 176.870 -0.488 0.000 1.074 494 L CA 1.653 56.139 54.840 -0.591 0.000 0.745 494 L CB -0.354 41.100 42.059 -1.007 0.000 0.898 494 L HN 0.307 nan 8.230 nan 0.000 0.433 495 F N -1.468 118.449 119.950 -0.054 0.000 2.717 495 F HA 0.062 4.600 4.527 0.017 0.000 0.295 495 F C 1.886 177.669 175.800 -0.029 0.000 1.117 495 F CA -0.035 57.946 58.000 -0.032 0.000 1.361 495 F CB -0.169 38.819 39.000 -0.020 0.000 1.112 495 F HN -0.011 nan 8.300 nan 0.000 0.594 496 D N -0.065 120.391 120.400 0.095 0.000 2.566 496 D HA 0.007 4.658 4.640 0.018 0.000 0.253 496 D C 1.884 178.191 176.300 0.012 0.000 0.992 496 D CA 0.887 54.916 54.000 0.048 0.000 0.940 496 D CB -0.071 40.743 40.800 0.024 0.000 1.095 496 D HN 0.227 nan 8.370 nan 0.000 0.480 497 E N 0.420 120.605 120.200 -0.024 0.000 2.060 497 E HA 0.085 4.446 4.350 0.018 0.000 0.189 497 E C 1.996 178.588 176.600 -0.014 0.000 0.974 497 E CA 0.413 56.800 56.400 -0.021 0.000 0.808 497 E CB 0.193 29.879 29.700 -0.024 0.000 0.768 497 E HN 0.143 nan 8.360 nan 0.000 0.453 498 L N 0.171 121.363 121.223 -0.052 0.000 2.558 498 L HA 0.172 4.523 4.340 0.018 0.000 0.225 498 L C 1.031 177.907 176.870 0.010 0.000 1.128 498 L CA 0.214 55.027 54.840 -0.044 0.000 0.868 498 L CB -0.353 41.595 42.059 -0.185 0.000 1.006 498 L HN 0.261 nan 8.230 nan 0.000 0.454 499 G N 1.840 110.657 108.800 0.028 0.000 2.366 499 G HA2 -0.284 3.687 3.960 0.018 0.000 0.299 499 G HA3 -0.284 3.687 3.960 0.018 0.000 0.299 499 G C 0.043 175.007 174.900 0.106 0.000 1.020 499 G CA 0.100 45.245 45.100 0.075 0.000 1.026 499 G HN 0.244 nan 8.290 nan 0.000 0.512 500 L N 0.255 121.561 121.223 0.137 0.000 2.439 500 L HA 0.456 4.807 4.340 0.018 0.000 0.261 500 L C -1.507 175.544 176.870 0.301 0.000 1.153 500 L CA -2.247 52.706 54.840 0.187 0.000 0.808 500 L CB 0.895 43.024 42.059 0.117 0.000 1.126 500 L HN 0.007 nan 8.230 nan 0.000 0.460 501 P HA 0.165 nan 4.420 nan 0.000 0.276 501 P C -0.842 176.514 177.300 0.092 0.000 1.253 501 P CA -0.376 62.801 63.100 0.128 0.000 0.766 501 P CB 0.868 32.620 31.700 0.086 0.000 0.845 502 A N 3.774 126.469 122.820 -0.209 0.000 2.445 502 A HA 0.253 4.584 4.320 0.018 0.000 0.242 502 A C 1.004 178.448 177.584 -0.233 0.000 1.075 502 A CA 0.029 51.693 52.037 -0.623 0.000 0.777 502 A CB -0.307 18.206 19.000 -0.811 0.000 1.013 502 A HN 0.610 nan 8.150 nan 0.000 0.493 503 I N 0.568 121.037 120.570 -0.168 0.000 3.971 503 I HA 0.256 4.437 4.170 0.018 0.000 0.303 503 I C 1.194 177.292 176.117 -0.030 0.000 1.233 503 I CA 0.690 61.967 61.300 -0.038 0.000 1.346 503 I CB 0.546 38.569 38.000 0.039 0.000 1.273 503 I HN 0.709 nan 8.210 nan 0.000 0.448 504 G N 0.818 109.587 108.800 -0.052 0.000 2.694 504 G HA2 0.526 4.497 3.960 0.018 0.000 0.290 504 G HA3 0.526 4.497 3.960 0.018 0.000 0.290 504 G C -1.389 173.484 174.900 -0.045 0.000 1.386 504 G CA -0.376 44.711 45.100 -0.021 0.000 0.872 504 G HN -0.271 nan 8.290 nan 0.000 0.475 505 K N 0.229 120.618 120.400 -0.018 0.000 2.281 505 K HA 0.604 4.935 4.320 0.018 0.000 0.242 505 K C 0.152 176.759 176.600 0.010 0.000 0.971 505 K CA -0.531 55.746 56.287 -0.016 0.000 0.834 505 K CB 1.945 34.433 32.500 -0.019 0.000 1.181 505 K HN 0.778 nan 8.250 nan 0.000 0.435 506 T N -1.966 112.598 114.554 0.017 0.000 2.904 506 T HA 0.096 4.457 4.350 0.018 0.000 0.290 506 T C 1.215 175.929 174.700 0.023 0.000 1.018 506 T CA -0.362 61.755 62.100 0.028 0.000 1.075 506 T CB 1.414 70.304 68.868 0.035 0.000 0.986 506 T HN 0.603 nan 8.240 nan 0.000 0.523 507 E N 1.343 121.559 120.200 0.026 0.000 2.031 507 E HA -0.117 4.244 4.350 0.018 0.000 0.193 507 E C 1.813 178.425 176.600 0.020 0.000 0.994 507 E CA 1.487 57.901 56.400 0.023 0.000 0.800 507 E CB -0.090 29.625 29.700 0.026 0.000 0.752 507 E HN 0.590 nan 8.360 nan 0.000 0.447 508 K N -0.648 119.764 120.400 0.020 0.000 2.067 508 K HA 0.039 4.370 4.320 0.018 0.000 0.203 508 K C 2.157 178.766 176.600 0.016 0.000 1.048 508 K CA 1.752 58.050 56.287 0.018 0.000 0.954 508 K CB -0.360 32.151 32.500 0.019 0.000 0.737 508 K HN 0.433 nan 8.250 nan 0.000 0.444 509 T N -3.358 111.207 114.554 0.017 0.000 3.044 509 T HA 0.257 4.617 4.350 0.018 0.000 0.260 509 T C 1.107 175.815 174.700 0.013 0.000 1.019 509 T CA 0.452 62.562 62.100 0.016 0.000 0.921 509 T CB 0.478 69.358 68.868 0.019 0.000 1.053 509 T HN 0.284 nan 8.240 nan 0.000 0.533 510 G N 2.082 110.889 108.800 0.012 0.000 2.221 510 G HA2 -0.262 3.708 3.960 0.018 0.000 0.265 510 G HA3 -0.262 3.708 3.960 0.018 0.000 0.265 510 G C -0.123 174.778 174.900 0.002 0.000 1.041 510 G CA 0.256 45.359 45.100 0.005 0.000 0.807 510 G HN 0.678 nan 8.290 nan 0.000 0.502 511 K N -0.541 119.866 120.400 0.012 0.000 2.107 511 K HA 0.461 4.792 4.320 0.018 0.000 0.251 511 K C 0.866 177.468 176.600 0.003 0.000 1.012 511 K CA -0.779 55.517 56.287 0.015 0.000 0.920 511 K CB 0.831 33.354 32.500 0.038 0.000 1.033 511 K HN 0.250 nan 8.250 nan 0.000 0.478 512 R N 1.050 121.543 120.500 -0.012 0.000 2.351 512 R HA 0.026 4.377 4.340 0.018 0.000 0.318 512 R C 0.138 176.470 176.300 0.054 0.000 1.055 512 R CA -0.080 55.965 56.100 -0.090 0.000 0.968 512 R CB 0.722 30.843 30.300 -0.298 0.000 0.974 512 R HN 0.422 nan 8.270 nan 0.000 0.439 513 S N 1.272 116.995 115.700 0.038 0.000 2.562 513 S HA 0.015 4.495 4.470 0.018 0.000 0.281 513 S C 0.992 175.736 174.600 0.241 0.000 1.333 513 S CA -0.258 58.011 58.200 0.116 0.000 1.052 513 S CB 0.577 63.822 63.200 0.074 0.000 0.884 513 S HN 0.718 nan 8.310 nan 0.000 0.506 514 T N 0.674 115.353 114.554 0.208 0.000 3.266 514 T HA 0.308 4.669 4.350 0.018 0.000 0.278 514 T C 0.524 175.301 174.700 0.129 0.000 1.010 514 T CA -0.099 62.117 62.100 0.194 0.000 0.909 514 T CB -0.511 68.437 68.868 0.134 0.000 1.122 514 T HN 0.614 nan 8.240 nan 0.000 0.536 515 S N 0.684 116.454 115.700 0.117 0.000 2.587 515 S HA 0.524 5.005 4.470 0.018 0.000 0.260 515 S C 1.914 176.565 174.600 0.084 0.000 1.353 515 S CA -0.182 58.072 58.200 0.089 0.000 0.995 515 S CB 0.576 63.822 63.200 0.077 0.000 0.912 515 S HN 0.555 nan 8.310 nan 0.000 0.568 516 A N 1.872 124.735 122.820 0.071 0.000 1.908 516 A HA 0.121 4.452 4.320 0.018 0.000 0.218 516 A C 2.458 180.077 177.584 0.060 0.000 1.181 516 A CA 1.914 53.989 52.037 0.064 0.000 0.627 516 A CB -1.734 17.300 19.000 0.056 0.000 0.818 516 A HN 1.416 nan 8.150 nan 0.000 0.445 517 A N -0.721 122.133 122.820 0.056 0.000 1.933 517 A HA 0.012 4.343 4.320 0.018 0.000 0.218 517 A C 2.233 179.852 177.584 0.058 0.000 1.175 517 A CA 1.781 53.846 52.037 0.047 0.000 0.628 517 A CB -0.812 18.211 19.000 0.038 0.000 0.814 517 A HN 0.373 nan 8.150 nan 0.000 0.444 518 V N 0.045 120.006 119.914 0.078 0.000 2.307 518 V HA -0.213 3.918 4.120 0.018 0.000 0.245 518 V C 2.530 178.691 176.094 0.112 0.000 1.045 518 V CA 1.818 64.180 62.300 0.104 0.000 1.024 518 V CB -0.667 31.241 31.823 0.141 0.000 0.651 518 V HN 0.575 nan 8.190 nan 0.000 0.449 519 L N -0.201 121.082 121.223 0.100 0.000 2.131 519 L HA -0.182 4.169 4.340 0.018 0.000 0.210 519 L C 2.577 179.488 176.870 0.068 0.000 1.092 519 L CA 1.501 56.390 54.840 0.081 0.000 0.759 519 L CB -0.493 41.605 42.059 0.066 0.000 0.903 519 L HN 0.362 nan 8.230 nan 0.000 0.435 520 E N 0.687 120.923 120.200 0.061 0.000 2.106 520 E HA -0.152 4.209 4.350 0.018 0.000 0.192 520 E C 2.064 178.693 176.600 0.049 0.000 0.984 520 E CA 1.276 57.705 56.400 0.049 0.000 0.806 520 E CB -0.076 29.648 29.700 0.040 0.000 0.750 520 E HN 0.352 nan 8.360 nan 0.000 0.458 521 A N -0.220 122.634 122.820 0.056 0.000 2.209 521 A HA 0.041 4.371 4.320 0.018 0.000 0.212 521 A C 1.503 179.129 177.584 0.071 0.000 1.158 521 A CA 0.577 52.648 52.037 0.058 0.000 0.742 521 A CB -0.186 18.851 19.000 0.061 0.000 0.790 521 A HN 0.302 nan 8.150 nan 0.000 0.472 522 L N -1.725 119.545 121.223 0.078 0.000 2.959 522 L HA 0.202 4.553 4.340 0.018 0.000 0.259 522 L C 1.956 178.871 176.870 0.075 0.000 1.185 522 L CA -0.221 54.671 54.840 0.087 0.000 0.998 522 L CB -0.022 42.102 42.059 0.109 0.000 1.337 522 L HN 0.285 nan 8.230 nan 0.000 0.555 523 R N 0.733 121.270 120.500 0.062 0.000 2.096 523 R HA -0.154 4.197 4.340 0.018 0.000 0.240 523 R C 1.512 177.845 176.300 0.055 0.000 1.139 523 R CA 1.407 57.540 56.100 0.055 0.000 0.952 523 R CB 0.031 30.357 30.300 0.043 0.000 0.854 523 R HN 0.357 nan 8.270 nan 0.000 0.436 524 E N -0.016 120.214 120.200 0.050 0.000 2.358 524 E HA -0.033 4.328 4.350 0.018 0.000 0.195 524 E C 1.654 178.283 176.600 0.048 0.000 1.010 524 E CA 0.699 57.123 56.400 0.040 0.000 0.856 524 E CB 0.087 29.807 29.700 0.033 0.000 0.795 524 E HN 0.317 nan 8.360 nan 0.000 0.504 525 A N 0.649 123.513 122.820 0.074 0.000 2.119 525 A HA -0.068 4.263 4.320 0.018 0.000 0.216 525 A C 0.790 178.461 177.584 0.145 0.000 1.152 525 A CA 0.817 52.911 52.037 0.095 0.000 0.708 525 A CB 0.007 19.072 19.000 0.109 0.000 0.805 525 A HN 0.195 nan 8.150 nan 0.000 0.460 526 H N -2.738 116.342 119.070 0.016 0.000 3.114 526 H HA 0.192 4.759 4.556 0.018 0.000 0.325 526 H C -2.808 172.523 175.328 0.004 0.000 1.206 526 H CA -0.824 55.229 56.048 0.008 0.000 1.316 526 H CB 1.390 31.153 29.762 0.002 0.000 1.981 526 H HN -0.105 nan 8.280 nan 0.000 0.527 527 P HA -0.042 nan 4.420 nan 0.000 0.218 527 P C 1.758 179.166 177.300 0.180 0.000 1.148 527 P CA 0.798 63.945 63.100 0.078 0.000 0.822 527 P CB 0.394 32.078 31.700 -0.026 0.000 0.784 528 I N -0.985 119.817 120.570 0.387 0.000 2.614 528 I HA -0.177 4.004 4.170 0.018 0.000 0.258 528 I C 1.681 177.827 176.117 0.049 0.000 1.189 528 I CA 0.983 62.367 61.300 0.139 0.000 1.462 528 I CB 0.049 38.042 38.000 -0.012 0.000 1.092 528 I HN -0.199 nan 8.210 nan 0.000 0.442 529 V N 0.846 120.803 119.914 0.072 0.000 2.307 529 V HA -0.270 3.861 4.120 0.018 0.000 0.245 529 V C 2.421 178.538 176.094 0.039 0.000 1.045 529 V CA 2.140 64.461 62.300 0.034 0.000 1.024 529 V CB -0.664 31.190 31.823 0.051 0.000 0.651 529 V HN 0.461 nan 8.190 nan 0.000 0.449 530 E N 0.650 120.878 120.200 0.047 0.000 2.085 530 E HA -0.225 4.136 4.350 0.018 0.000 0.194 530 E C 2.168 178.788 176.600 0.033 0.000 0.994 530 E CA 1.413 57.836 56.400 0.038 0.000 0.801 530 E CB -0.181 29.540 29.700 0.034 0.000 0.743 530 E HN 0.330 nan 8.360 nan 0.000 0.453 531 K N 0.171 120.585 120.400 0.023 0.000 2.147 531 K HA -0.070 4.261 4.320 0.018 0.000 0.205 531 K C 2.269 178.883 176.600 0.024 0.000 1.049 531 K CA 1.139 57.431 56.287 0.009 0.000 0.936 531 K CB -0.381 32.103 32.500 -0.026 0.000 0.722 531 K HN 0.346 nan 8.250 nan 0.000 0.446 532 I N 0.820 121.398 120.570 0.013 0.000 2.315 532 I HA -0.241 3.940 4.170 0.018 0.000 0.248 532 I C 2.233 178.413 176.117 0.104 0.000 1.117 532 I CA 0.838 62.159 61.300 0.036 0.000 1.404 532 I CB -0.212 37.793 38.000 0.008 0.000 1.071 532 I HN 0.025 nan 8.210 nan 0.000 0.419 533 L N 0.023 121.289 121.223 0.072 0.000 2.056 533 L HA -0.224 4.127 4.340 0.018 0.000 0.207 533 L C 2.636 179.547 176.870 0.069 0.000 1.078 533 L CA 1.453 56.335 54.840 0.070 0.000 0.749 533 L CB -0.499 41.591 42.059 0.052 0.000 0.901 533 L HN 0.311 nan 8.230 nan 0.000 0.433 534 Q N -1.287 118.552 119.800 0.065 0.000 2.119 534 Q HA -0.238 4.113 4.340 0.018 0.000 0.201 534 Q C 2.062 178.096 176.000 0.057 0.000 0.972 534 Q CA 1.587 57.419 55.803 0.048 0.000 0.847 534 Q CB -0.255 28.506 28.738 0.037 0.000 0.903 534 Q HN 0.477 nan 8.270 nan 0.000 0.433 535 Y N 1.516 121.794 120.300 -0.037 0.000 2.181 535 Y HA -0.210 4.351 4.550 0.018 0.000 0.288 535 Y C 2.227 178.111 175.900 -0.025 0.000 1.146 535 Y CA 1.393 59.463 58.100 -0.050 0.000 1.164 535 Y CB 0.174 38.584 38.460 -0.084 0.000 0.982 535 Y HN -0.079 nan 8.280 nan 0.000 0.515 536 R N 0.460 121.011 120.500 0.086 0.000 2.081 536 R HA -0.189 4.162 4.340 0.018 0.000 0.235 536 R C 2.248 178.523 176.300 -0.042 0.000 1.131 536 R CA 1.656 57.772 56.100 0.026 0.000 0.960 536 R CB -0.615 29.738 30.300 0.088 0.000 0.856 536 R HN 0.563 nan 8.270 nan 0.000 0.436 537 E N 0.410 120.597 120.200 -0.022 0.000 2.051 537 E HA -0.178 4.182 4.350 0.018 0.000 0.192 537 E C 1.861 178.432 176.600 -0.049 0.000 0.991 537 E CA 0.955 57.345 56.400 -0.016 0.000 0.799 537 E CB 0.103 29.802 29.700 -0.002 0.000 0.748 537 E HN 0.031 nan 8.360 nan 0.000 0.449 538 L N 0.677 121.840 121.223 -0.101 0.000 2.056 538 L HA -0.144 4.207 4.340 0.018 0.000 0.207 538 L C 2.790 179.565 176.870 -0.158 0.000 1.078 538 L CA 2.223 56.991 54.840 -0.119 0.000 0.749 538 L CB -0.991 40.986 42.059 -0.138 0.000 0.901 538 L HN 0.347 nan 8.230 nan 0.000 0.433 539 T N -3.684 110.699 114.554 -0.285 0.000 2.985 539 T HA -0.163 4.198 4.350 0.018 0.000 0.266 539 T C 1.935 176.556 174.700 -0.131 0.000 1.076 539 T CA 1.041 62.976 62.100 -0.275 0.000 1.135 539 T CB -0.115 68.462 68.868 -0.484 0.000 0.890 539 T HN 0.021 nan 8.240 nan 0.000 0.480 540 K N 1.600 121.949 120.400 -0.084 0.000 2.026 540 K HA 0.133 4.464 4.320 0.018 0.000 0.208 540 K C 2.157 178.786 176.600 0.049 0.000 1.048 540 K CA 1.271 57.551 56.287 -0.012 0.000 0.929 540 K CB -0.883 31.632 32.500 0.026 0.000 0.713 540 K HN 0.448 nan 8.250 nan 0.000 0.439 541 L N 0.424 121.704 121.223 0.095 0.000 2.093 541 L HA -0.086 4.265 4.340 0.018 0.000 0.208 541 L C 2.671 179.645 176.870 0.172 0.000 1.085 541 L CA 1.453 56.432 54.840 0.232 0.000 0.755 541 L CB -0.457 41.678 42.059 0.126 0.000 0.904 541 L HN 0.255 nan 8.230 nan 0.000 0.435 542 K N 0.393 120.819 120.400 0.043 0.000 2.025 542 K HA -0.166 4.165 4.320 0.018 0.000 0.207 542 K C 2.342 178.937 176.600 -0.008 0.000 1.049 542 K CA 1.728 58.022 56.287 0.011 0.000 0.933 542 K CB -0.000 32.476 32.500 -0.039 0.000 0.714 542 K HN 0.307 nan 8.250 nan 0.000 0.438 543 S N -0.991 114.684 115.700 -0.042 0.000 2.461 543 S HA -0.043 4.438 4.470 0.018 0.000 0.228 543 S C 1.680 176.213 174.600 -0.112 0.000 1.005 543 S CA 1.300 59.462 58.200 -0.065 0.000 0.942 543 S CB 0.028 63.189 63.200 -0.065 0.000 0.776 543 S HN 0.266 nan 8.310 nan 0.000 0.514 544 T N -0.055 114.388 114.554 -0.186 0.000 3.040 544 T HA 0.316 4.677 4.350 0.018 0.000 0.252 544 T C 0.639 174.982 174.700 -0.596 0.000 1.064 544 T CA 0.527 62.352 62.100 -0.457 0.000 1.110 544 T CB -0.070 68.371 68.868 -0.711 0.000 0.921 544 T HN 0.567 nan 8.240 nan 0.000 0.480 545 Y N -0.338 119.984 120.300 0.037 0.000 2.921 545 Y HA 0.461 5.022 4.550 0.018 0.000 0.246 545 Y C 1.915 177.849 175.900 0.058 0.000 1.030 545 Y CA -0.727 57.416 58.100 0.071 0.000 1.338 545 Y CB -0.184 38.333 38.460 0.095 0.000 1.493 545 Y HN -0.041 nan 8.280 nan 0.000 0.452 546 I N 0.723 121.417 120.570 0.207 0.000 2.208 546 I HA -0.285 3.896 4.170 0.018 0.000 0.245 546 I C 1.395 177.546 176.117 0.056 0.000 1.097 546 I CA 1.851 63.216 61.300 0.109 0.000 1.363 546 I CB -0.174 37.860 38.000 0.058 0.000 1.051 546 I HN 0.299 nan 8.210 nan 0.000 0.413 547 D N 0.116 120.535 120.400 0.032 0.000 2.197 547 D HA -0.024 4.627 4.640 0.018 0.000 0.212 547 D C -0.389 175.913 176.300 0.004 0.000 0.963 547 D CA 1.033 55.037 54.000 0.006 0.000 0.864 547 D CB -1.460 39.333 40.800 -0.012 0.000 1.009 547 D HN 0.237 nan 8.370 nan 0.000 0.479 548 P HA -0.018 nan 4.420 nan 0.000 0.216 548 P C 1.890 179.202 177.300 0.019 0.000 1.153 548 P CA 0.668 63.762 63.100 -0.010 0.000 0.844 548 P CB 0.064 31.744 31.700 -0.033 0.000 0.787 549 L N -0.482 120.776 121.223 0.058 0.000 2.012 549 L HA -0.118 4.233 4.340 0.018 0.000 0.210 549 L C -0.317 176.585 176.870 0.054 0.000 1.073 549 L CA 2.124 57.013 54.840 0.083 0.000 0.748 549 L CB -2.373 39.763 42.059 0.128 0.000 0.891 549 L HN 0.041 nan 8.230 nan 0.000 0.431 550 P HA -0.151 nan 4.420 nan 0.000 0.218 550 P C 0.711 178.034 177.300 0.038 0.000 1.148 550 P CA 1.314 64.432 63.100 0.029 0.000 0.822 550 P CB -0.042 31.670 31.700 0.021 0.000 0.784 551 D N -1.351 119.063 120.400 0.024 0.000 2.363 551 D HA 0.045 4.696 4.640 0.018 0.000 0.226 551 D C 1.315 177.626 176.300 0.017 0.000 1.020 551 D CA 0.572 54.577 54.000 0.008 0.000 0.892 551 D CB -0.083 40.699 40.800 -0.029 0.000 0.900 551 D HN 0.265 nan 8.370 nan 0.000 0.531 552 L N 0.453 121.721 121.223 0.076 0.000 2.667 552 L HA 0.155 4.506 4.340 0.018 0.000 0.232 552 L C 0.354 177.473 176.870 0.415 0.000 1.138 552 L CA -0.252 54.692 54.840 0.172 0.000 0.921 552 L CB 0.609 42.759 42.059 0.151 0.000 1.180 552 L HN -0.157 nan 8.230 nan 0.000 0.487 553 I N 0.755 121.496 120.570 0.286 0.000 2.598 553 I HA -0.060 4.121 4.170 0.018 0.000 0.284 553 I C 0.776 177.120 176.117 0.377 0.000 1.140 553 I CA 0.437 61.904 61.300 0.278 0.000 1.420 553 I CB -0.059 38.029 38.000 0.146 0.000 1.387 553 I HN 0.122 nan 8.210 nan 0.000 0.553 554 H N 9.242 128.436 119.070 0.207 0.000 2.683 554 H HA 0.134 4.701 4.556 0.018 0.000 0.339 554 H C -1.729 173.576 175.328 -0.038 0.000 1.081 554 H CA -1.322 54.666 56.048 -0.100 0.000 1.432 554 H CB 1.749 31.257 29.762 -0.424 0.000 1.462 554 H HN 0.301 nan 8.280 nan 0.000 0.557 555 P HA -0.083 nan 4.420 nan 0.000 0.215 555 P C 1.454 178.776 177.300 0.037 0.000 1.157 555 P CA 1.335 64.382 63.100 -0.088 0.000 0.863 555 P CB 0.344 31.944 31.700 -0.167 0.000 0.787 556 R N -0.671 119.930 120.500 0.169 0.000 2.062 556 R HA -0.066 4.285 4.340 0.018 0.000 0.231 556 R C 2.351 178.704 176.300 0.088 0.000 1.136 556 R CA 2.245 58.423 56.100 0.130 0.000 0.948 556 R CB -1.443 28.929 30.300 0.120 0.000 0.845 556 R HN 0.328 nan 8.270 nan 0.000 0.430 557 T N -3.308 111.318 114.554 0.120 0.000 3.054 557 T HA 0.113 4.474 4.350 0.018 0.000 0.259 557 T C 1.480 176.225 174.700 0.074 0.000 1.092 557 T CA 0.680 62.818 62.100 0.064 0.000 1.121 557 T CB 0.355 69.291 68.868 0.115 0.000 0.912 557 T HN 0.434 nan 8.240 nan 0.000 0.489 558 G N 1.644 110.509 108.800 0.109 0.000 2.179 558 G HA2 -0.273 3.698 3.960 0.018 0.000 0.257 558 G HA3 -0.273 3.698 3.960 0.018 0.000 0.257 558 G C 0.115 175.051 174.900 0.059 0.000 1.010 558 G CA 0.436 45.580 45.100 0.073 0.000 0.736 558 G HN 0.740 nan 8.290 nan 0.000 0.513 559 R N -1.750 118.811 120.500 0.101 0.000 2.930 559 R HA 0.770 5.120 4.340 0.018 0.000 0.257 559 R C -0.810 175.496 176.300 0.010 0.000 1.107 559 R CA -1.158 54.928 56.100 -0.022 0.000 0.999 559 R CB 1.163 31.357 30.300 -0.176 0.000 1.209 559 R HN 0.134 nan 8.270 nan 0.000 0.486 560 L N 1.783 122.934 121.223 -0.120 0.000 2.282 560 L HA 0.327 4.678 4.340 0.018 0.000 0.288 560 L C -1.001 175.778 176.870 -0.152 0.000 1.033 560 L CA 0.094 54.945 54.840 0.018 0.000 0.807 560 L CB 0.748 42.838 42.059 0.052 0.000 1.209 560 L HN 0.486 nan 8.230 nan 0.000 0.423 561 H N 3.126 122.269 119.070 0.121 0.000 2.589 561 H HA 0.281 4.848 4.556 0.018 0.000 0.335 561 H C -0.433 174.941 175.328 0.076 0.000 1.019 561 H CA -0.551 55.534 56.048 0.061 0.000 1.213 561 H CB 1.870 31.617 29.762 -0.025 0.000 1.472 561 H HN 0.555 nan 8.280 nan 0.000 0.508 562 T N 2.370 116.958 114.554 0.058 0.000 2.897 562 T HA 0.417 4.778 4.350 0.018 0.000 0.278 562 T C 0.126 174.736 174.700 -0.150 0.000 0.981 562 T CA -0.718 61.330 62.100 -0.086 0.000 0.973 562 T CB 0.887 69.573 68.868 -0.304 0.000 1.092 562 T HN 0.578 nan 8.240 nan 0.000 0.543 563 R N 0.826 121.199 120.500 -0.211 0.000 2.514 563 R HA 0.443 4.794 4.340 0.018 0.000 0.301 563 R C -1.274 174.840 176.300 -0.310 0.000 0.962 563 R CA -0.504 55.505 56.100 -0.152 0.000 0.882 563 R CB 1.102 31.386 30.300 -0.027 0.000 1.143 563 R HN 0.432 nan 8.270 nan 0.000 0.452 564 F N 2.344 122.306 119.950 0.019 0.000 2.303 564 F HA 0.255 4.792 4.527 0.018 0.000 0.368 564 F C 0.255 176.046 175.800 -0.015 0.000 1.105 564 F CA -0.847 57.153 58.000 -0.000 0.000 1.153 564 F CB 0.673 39.664 39.000 -0.015 0.000 1.362 564 F HN 0.257 nan 8.300 nan 0.000 0.511 565 N N 3.873 122.643 118.700 0.118 0.000 2.452 565 N HA -0.007 4.744 4.740 0.018 0.000 0.266 565 N C 0.851 176.362 175.510 0.002 0.000 1.175 565 N CA 0.063 53.137 53.050 0.040 0.000 0.945 565 N CB 1.364 39.860 38.487 0.016 0.000 1.063 565 N HN 0.731 nan 8.380 nan 0.000 0.472 566 Q N 0.900 120.658 119.800 -0.070 0.000 2.391 566 Q HA -0.000 4.351 4.340 0.018 0.000 0.211 566 Q C 0.130 175.856 176.000 -0.457 0.000 0.908 566 Q CA 0.622 56.334 55.803 -0.152 0.000 0.920 566 Q CB 0.525 29.202 28.738 -0.101 0.000 1.056 566 Q HN 0.697 nan 8.270 nan 0.000 0.523 567 T N -3.260 110.985 114.554 -0.514 0.000 3.416 567 T HA 0.666 5.027 4.350 0.018 0.000 0.245 567 T C 0.177 174.629 174.700 -0.414 0.000 1.081 567 T CA 0.001 61.496 62.100 -1.007 0.000 1.190 567 T CB 1.258 69.781 68.868 -0.575 0.000 1.068 567 T HN 0.126 nan 8.240 nan 0.000 0.580 568 A N 1.224 123.919 122.820 -0.209 0.000 2.211 568 A HA 0.500 4.831 4.320 0.018 0.000 0.208 568 A C 1.253 178.906 177.584 0.116 0.000 1.250 568 A CA 0.446 52.484 52.037 0.003 0.000 0.935 568 A CB 0.267 19.269 19.000 0.003 0.000 0.982 568 A HN 0.728 nan 8.150 nan 0.000 0.490 569 T N -4.189 110.482 114.554 0.194 0.000 2.940 569 T HA 0.649 5.010 4.350 0.018 0.000 0.288 569 T C 0.826 175.669 174.700 0.239 0.000 1.033 569 T CA 0.050 62.265 62.100 0.191 0.000 1.033 569 T CB 1.778 70.734 68.868 0.146 0.000 1.079 569 T HN 0.551 nan 8.240 nan 0.000 0.496 570 A N 0.819 123.711 122.820 0.120 0.000 2.169 570 A HA 0.171 4.502 4.320 0.018 0.000 0.212 570 A C 2.132 179.731 177.584 0.026 0.000 1.153 570 A CA 1.226 53.301 52.037 0.063 0.000 0.756 570 A CB -0.953 18.068 19.000 0.035 0.000 0.813 570 A HN 1.064 nan 8.150 nan 0.000 0.471 571 T N -6.154 108.430 114.554 0.050 0.000 2.990 571 T HA 0.440 4.801 4.350 0.018 0.000 0.250 571 T C 1.344 176.082 174.700 0.064 0.000 1.041 571 T CA 1.144 63.261 62.100 0.029 0.000 1.010 571 T CB 0.528 69.396 68.868 0.001 0.000 1.003 571 T HN 1.473 nan 8.240 nan 0.000 0.499 572 G N 1.487 110.374 108.800 0.145 0.000 2.184 572 G HA2 -0.177 3.794 3.960 0.018 0.000 0.206 572 G HA3 -0.177 3.794 3.960 0.018 0.000 0.206 572 G C 0.196 175.208 174.900 0.186 0.000 0.995 572 G CA -0.422 44.802 45.100 0.207 0.000 0.651 572 G HN 0.609 nan 8.290 nan 0.000 0.511 573 R N -0.017 120.572 120.500 0.149 0.000 2.738 573 R HA 0.521 4.872 4.340 0.018 0.000 0.268 573 R C 0.932 177.333 176.300 0.168 0.000 1.062 573 R CA -0.092 56.100 56.100 0.153 0.000 1.158 573 R CB 0.356 30.733 30.300 0.128 0.000 1.046 573 R HN 0.298 nan 8.270 nan 0.000 0.493 574 L N 0.512 121.841 121.223 0.176 0.000 2.468 574 L HA 0.250 4.601 4.340 0.018 0.000 0.254 574 L C 0.718 177.715 176.870 0.211 0.000 1.171 574 L CA -0.176 54.758 54.840 0.156 0.000 0.809 574 L CB 1.046 43.193 42.059 0.147 0.000 1.155 574 L HN 0.725 nan 8.230 nan 0.000 0.473 575 S N -0.584 115.219 115.700 0.172 0.000 2.671 575 S HA 0.698 5.179 4.470 0.018 0.000 0.299 575 S C -0.747 173.929 174.600 0.127 0.000 1.116 575 S CA -0.713 57.587 58.200 0.166 0.000 0.912 575 S CB 1.999 65.267 63.200 0.114 0.000 1.130 575 S HN 0.560 nan 8.310 nan 0.000 0.501 576 S N 0.520 116.257 115.700 0.062 0.000 2.538 576 S HA 0.814 5.295 4.470 0.018 0.000 0.288 576 S C -0.915 173.652 174.600 -0.056 0.000 1.108 576 S CA -0.155 57.995 58.200 -0.084 0.000 0.971 576 S CB 0.965 64.074 63.200 -0.150 0.000 1.041 576 S HN 1.730 nan 8.310 nan 0.000 0.483 577 S N 2.425 118.071 115.700 -0.089 0.000 2.596 577 S HA 0.632 5.112 4.470 0.018 0.000 0.270 577 S C -1.514 173.076 174.600 -0.017 0.000 1.155 577 S CA -0.732 57.451 58.200 -0.028 0.000 0.827 577 S CB 1.342 64.540 63.200 -0.004 0.000 1.130 577 S HN 0.753 nan 8.310 nan 0.000 0.467 578 D N 0.545 120.952 120.400 0.012 0.000 2.718 578 D HA -0.069 4.582 4.640 0.018 0.000 0.242 578 D C -2.490 173.859 176.300 0.082 0.000 1.123 578 D CA 0.796 54.817 54.000 0.036 0.000 0.690 578 D CB -1.391 39.439 40.800 0.049 0.000 1.059 578 D HN 0.568 nan 8.370 nan 0.000 0.429 579 P HA 0.170 nan 4.420 nan 0.000 0.283 579 P C -0.028 177.297 177.300 0.042 0.000 1.271 579 P CA -0.626 62.512 63.100 0.063 0.000 0.841 579 P CB 0.836 32.601 31.700 0.109 0.000 1.122 580 N N 1.229 119.959 118.700 0.050 0.000 2.431 580 N HA 0.062 4.813 4.740 0.018 0.000 0.265 580 N C 0.363 175.940 175.510 0.111 0.000 1.184 580 N CA 0.180 53.262 53.050 0.053 0.000 0.943 580 N CB -0.432 38.098 38.487 0.072 0.000 1.080 580 N HN 0.332 nan 8.380 nan 0.000 0.477 581 L N 2.711 123.975 121.223 0.068 0.000 2.728 581 L HA 0.179 4.530 4.340 0.018 0.000 0.238 581 L C 1.238 178.199 176.870 0.152 0.000 1.143 581 L CA 0.107 55.025 54.840 0.128 0.000 0.937 581 L CB 0.149 42.275 42.059 0.111 0.000 1.225 581 L HN 0.530 nan 8.230 nan 0.000 0.507 582 Q N 0.809 120.680 119.800 0.117 0.000 2.360 582 Q HA 0.046 4.397 4.340 0.018 0.000 0.202 582 Q C 0.521 176.592 176.000 0.118 0.000 0.915 582 Q CA 0.216 56.086 55.803 0.111 0.000 0.943 582 Q CB 0.324 29.083 28.738 0.035 0.000 1.064 582 Q HN 0.464 nan 8.270 nan 0.000 0.511 583 N N -0.378 118.393 118.700 0.117 0.000 2.451 583 N HA 0.060 4.811 4.740 0.018 0.000 0.271 583 N C -0.463 175.060 175.510 0.022 0.000 1.410 583 N CA -0.233 52.876 53.050 0.100 0.000 0.884 583 N CB 0.343 38.931 38.487 0.168 0.000 1.332 583 N HN -0.070 nan 8.380 nan 0.000 0.498 584 I N 1.755 122.253 120.570 -0.120 0.000 2.683 584 I HA 0.172 4.353 4.170 0.018 0.000 0.286 584 I C -1.772 174.053 176.117 -0.488 0.000 1.175 584 I CA -1.749 59.321 61.300 -0.383 0.000 1.429 584 I CB -0.281 37.427 38.000 -0.486 0.000 1.371 584 I HN -0.024 nan 8.210 nan 0.000 0.569 585 P HA 0.047 nan 4.420 nan 0.000 0.268 585 P C 0.466 177.570 177.300 -0.327 0.000 1.208 585 P CA 0.250 63.105 63.100 -0.408 0.000 0.777 585 P CB 1.117 32.570 31.700 -0.412 0.000 0.875 586 V N 2.191 121.965 119.914 -0.232 0.000 3.331 586 V HA 0.095 4.226 4.120 0.018 0.000 0.259 586 V C 1.830 177.849 176.094 -0.126 0.000 1.735 586 V CA 0.426 62.599 62.300 -0.212 0.000 1.032 586 V CB -0.049 31.614 31.823 -0.265 0.000 0.892 586 V HN 0.434 nan 8.190 nan 0.000 0.384 587 R N 0.979 121.423 120.500 -0.094 0.000 2.066 587 R HA 0.072 4.423 4.340 0.018 0.000 0.224 587 R C 1.214 177.491 176.300 -0.039 0.000 1.122 587 R CA 1.681 57.750 56.100 -0.052 0.000 0.974 587 R CB 0.025 30.307 30.300 -0.030 0.000 0.871 587 R HN 0.630 nan 8.270 nan 0.000 0.435 588 T N -2.696 111.834 114.554 -0.039 0.000 2.923 588 T HA 0.349 4.710 4.350 0.018 0.000 0.281 588 T C -2.075 172.610 174.700 -0.026 0.000 0.995 588 T CA -1.996 60.089 62.100 -0.024 0.000 0.985 588 T CB 1.798 70.657 68.868 -0.015 0.000 1.114 588 T HN -0.152 nan 8.240 nan 0.000 0.548 589 P HA -0.051 nan 4.420 nan 0.000 0.215 589 P C 1.696 178.994 177.300 -0.004 0.000 1.157 589 P CA 0.422 63.517 63.100 -0.008 0.000 0.868 589 P CB -0.068 31.630 31.700 -0.003 0.000 0.788 590 L N -0.274 120.945 121.223 -0.007 0.000 2.093 590 L HA 0.034 4.385 4.340 0.018 0.000 0.208 590 L C 2.249 179.113 176.870 -0.011 0.000 1.085 590 L CA 2.221 57.059 54.840 -0.005 0.000 0.755 590 L CB -1.679 40.375 42.059 -0.010 0.000 0.904 590 L HN -0.049 nan 8.230 nan 0.000 0.435 591 G N -1.243 107.536 108.800 -0.036 0.000 2.440 591 G HA2 -0.292 3.679 3.960 0.018 0.000 0.218 591 G HA3 -0.292 3.679 3.960 0.018 0.000 0.218 591 G C 1.455 176.310 174.900 -0.075 0.000 1.154 591 G CA 0.795 45.846 45.100 -0.081 0.000 0.767 591 G HN 0.548 nan 8.290 nan 0.000 0.552 592 Q N -0.214 119.557 119.800 -0.048 0.000 2.119 592 Q HA -0.029 4.321 4.340 0.018 0.000 0.201 592 Q C 2.814 178.830 176.000 0.025 0.000 0.972 592 Q CA 0.790 56.571 55.803 -0.037 0.000 0.847 592 Q CB -0.109 28.613 28.738 -0.027 0.000 0.903 592 Q HN 0.447 nan 8.270 nan 0.000 0.433 593 R N 0.217 120.755 120.500 0.065 0.000 2.115 593 R HA -0.061 4.290 4.340 0.018 0.000 0.230 593 R C 2.177 178.626 176.300 0.249 0.000 1.111 593 R CA 0.974 57.174 56.100 0.168 0.000 0.976 593 R CB -0.184 30.199 30.300 0.138 0.000 0.870 593 R HN 0.264 nan 8.270 nan 0.000 0.445 594 I N 0.139 120.798 120.570 0.147 0.000 2.252 594 I HA -0.227 3.954 4.170 0.018 0.000 0.245 594 I C 2.645 178.910 176.117 0.247 0.000 1.102 594 I CA 1.024 62.435 61.300 0.185 0.000 1.385 594 I CB -0.194 37.846 38.000 0.068 0.000 1.064 594 I HN 0.103 nan 8.210 nan 0.000 0.414 595 R N 1.116 121.683 120.500 0.112 0.000 2.120 595 R HA -0.114 4.237 4.340 0.018 0.000 0.234 595 R C 2.330 178.783 176.300 0.254 0.000 1.123 595 R CA 1.135 57.293 56.100 0.097 0.000 0.975 595 R CB -0.067 30.125 30.300 -0.179 0.000 0.866 595 R HN 0.238 nan 8.270 nan 0.000 0.446 596 R N -0.430 120.164 120.500 0.158 0.000 2.241 596 R HA -0.065 4.286 4.340 0.018 0.000 0.224 596 R C 1.959 178.259 176.300 -0.000 0.000 1.101 596 R CA 0.939 57.079 56.100 0.065 0.000 0.995 596 R CB -0.105 30.175 30.300 -0.034 0.000 0.870 596 R HN 0.236 nan 8.270 nan 0.000 0.463 597 A N 0.567 123.456 122.820 0.116 0.000 2.066 597 A HA -0.045 4.286 4.320 0.018 0.000 0.218 597 A C 0.366 177.912 177.584 -0.063 0.000 1.157 597 A CA 0.549 52.582 52.037 -0.007 0.000 0.670 597 A CB -0.077 18.975 19.000 0.086 0.000 0.804 597 A HN 0.089 nan 8.150 nan 0.000 0.453 598 F N 1.220 121.238 119.950 0.115 0.000 2.404 598 F HA 0.459 4.997 4.527 0.019 0.000 0.359 598 F C 0.386 176.231 175.800 0.074 0.000 1.134 598 F CA -0.723 57.356 58.000 0.133 0.000 1.160 598 F CB 0.252 39.433 39.000 0.301 0.000 1.186 598 F HN 0.221 nan 8.300 nan 0.000 0.526 599 I N 0.042 120.671 120.570 0.099 0.000 3.067 599 I HA 0.954 5.135 4.170 0.018 0.000 0.312 599 I C -0.438 175.688 176.117 0.014 0.000 1.073 599 I CA -1.471 59.857 61.300 0.047 0.000 1.016 599 I CB 1.794 39.789 38.000 -0.009 0.000 1.227 599 I HN 0.407 nan 8.210 nan 0.000 0.456 600 A N 2.096 124.928 122.820 0.021 0.000 2.302 600 A HA 0.309 4.640 4.320 0.018 0.000 0.285 600 A C 0.101 177.675 177.584 -0.016 0.000 1.105 600 A CA -0.378 51.667 52.037 0.014 0.000 0.816 600 A CB 0.494 19.551 19.000 0.094 0.000 1.067 600 A HN 0.888 nan 8.150 nan 0.000 0.489 601 E N 0.643 120.772 120.200 -0.117 0.000 2.436 601 E HA 0.026 4.387 4.350 0.018 0.000 0.262 601 E C -0.520 176.107 176.600 0.045 0.000 1.063 601 E CA 0.065 56.364 56.400 -0.168 0.000 0.944 601 E CB 0.309 29.678 29.700 -0.552 0.000 0.950 601 E HN 0.593 nan 8.360 nan 0.000 0.444 602 E N 1.184 121.423 120.200 0.064 0.000 2.465 602 E HA 0.164 4.525 4.350 0.018 0.000 0.260 602 E C 0.689 177.456 176.600 0.279 0.000 0.980 602 E CA 1.281 57.759 56.400 0.131 0.000 0.927 602 E CB 0.492 30.239 29.700 0.079 0.000 0.934 602 E HN 0.776 nan 8.360 nan 0.000 0.459 603 G N 1.462 110.391 108.800 0.214 0.000 2.159 603 G HA2 -0.253 3.718 3.960 0.018 0.000 0.256 603 G HA3 -0.253 3.718 3.960 0.018 0.000 0.256 603 G C -0.590 174.385 174.900 0.126 0.000 0.977 603 G CA -0.119 45.076 45.100 0.158 0.000 0.652 603 G HN 0.399 nan 8.290 nan 0.000 0.531 604 W N -0.744 120.545 121.300 -0.019 0.000 2.850 604 W HA 0.846 5.516 4.660 0.018 0.000 0.349 604 W C 0.175 176.682 176.519 -0.021 0.000 1.133 604 W CA -1.114 56.217 57.345 -0.023 0.000 1.117 604 W CB 1.017 30.461 29.460 -0.027 0.000 1.442 604 W HN 0.089 nan 8.180 nan 0.000 0.575 605 L N 1.382 122.737 121.223 0.220 0.000 2.371 605 L HA 0.530 4.881 4.340 0.018 0.000 0.262 605 L C -0.567 176.372 176.870 0.115 0.000 1.006 605 L CA -1.122 53.792 54.840 0.123 0.000 0.818 605 L CB 1.579 43.672 42.059 0.058 0.000 1.354 605 L HN 0.097 nan 8.230 nan 0.000 0.415 606 L N 1.952 123.217 121.223 0.069 0.000 2.350 606 L HA 0.501 4.851 4.340 0.018 0.000 0.275 606 L C -0.673 176.210 176.870 0.021 0.000 1.099 606 L CA -0.749 54.107 54.840 0.027 0.000 0.808 606 L CB 1.528 43.584 42.059 -0.004 0.000 1.149 606 L HN 0.239 nan 8.230 nan 0.000 0.442 607 V N 2.290 122.202 119.914 -0.003 0.000 2.407 607 V HA 0.537 4.668 4.120 0.018 0.000 0.291 607 V C 0.086 176.170 176.094 -0.016 0.000 1.018 607 V CA -0.557 61.742 62.300 -0.002 0.000 0.842 607 V CB 1.484 33.304 31.823 -0.006 0.000 0.996 607 V HN 0.843 nan 8.190 nan 0.000 0.426 608 A N 6.517 129.348 122.820 0.018 0.000 2.271 608 A HA 0.909 5.240 4.320 0.018 0.000 0.317 608 A C -0.929 176.676 177.584 0.033 0.000 1.245 608 A CA -0.358 51.705 52.037 0.043 0.000 0.857 608 A CB 0.489 19.579 19.000 0.151 0.000 1.175 608 A HN 0.747 nan 8.150 nan 0.000 0.512 609 L N 2.508 123.735 121.223 0.006 0.000 2.341 609 L HA 0.584 4.935 4.340 0.018 0.000 0.278 609 L C -0.454 176.396 176.870 -0.032 0.000 1.005 609 L CA -0.257 54.560 54.840 -0.038 0.000 0.818 609 L CB 2.032 44.035 42.059 -0.093 0.000 1.259 609 L HN 0.650 nan 8.230 nan 0.000 0.418 610 D N 1.585 121.965 120.400 -0.033 0.000 2.788 610 D HA 0.221 4.872 4.640 0.018 0.000 0.247 610 D C -1.103 175.211 176.300 0.023 0.000 1.236 610 D CA -0.504 53.517 54.000 0.035 0.000 0.898 610 D CB 1.185 42.047 40.800 0.103 0.000 1.401 610 D HN 0.216 nan 8.370 nan 0.000 0.549 611 Y N 1.311 121.660 120.300 0.081 0.000 2.610 611 Y HA 0.053 4.613 4.550 0.017 0.000 0.332 611 Y C 1.447 177.406 175.900 0.097 0.000 1.201 611 Y CA 0.556 58.699 58.100 0.073 0.000 1.465 611 Y CB 0.729 39.226 38.460 0.062 0.000 1.283 611 Y HN 0.163 nan 8.280 nan 0.000 0.563 612 S N 3.530 119.376 115.700 0.244 0.000 2.523 612 S HA 0.095 4.576 4.470 0.018 0.000 0.275 612 S C -0.097 174.631 174.600 0.213 0.000 1.281 612 S CA -0.648 57.677 58.200 0.208 0.000 1.050 612 S CB 0.050 63.344 63.200 0.157 0.000 0.937 612 S HN 0.768 nan 8.310 nan 0.000 0.492 613 Q N 2.754 122.728 119.800 0.291 0.000 2.395 613 Q HA -0.227 4.124 4.340 0.018 0.000 0.326 613 Q C 0.728 176.871 176.000 0.238 0.000 1.302 613 Q CA 0.786 56.784 55.803 0.325 0.000 0.949 613 Q CB -1.633 27.209 28.738 0.173 0.000 1.204 613 Q HN 0.844 nan 8.270 nan 0.000 0.444 614 I N -0.268 120.435 120.570 0.223 0.000 2.252 614 I HA -0.245 3.936 4.170 0.018 0.000 0.245 614 I C 1.947 178.083 176.117 0.033 0.000 1.102 614 I CA 1.453 62.788 61.300 0.058 0.000 1.385 614 I CB 0.128 38.131 38.000 0.005 0.000 1.064 614 I HN 0.381 nan 8.210 nan 0.000 0.414 615 E N 0.419 120.699 120.200 0.133 0.000 2.268 615 E HA -0.177 4.184 4.350 0.018 0.000 0.195 615 E C 2.215 178.939 176.600 0.208 0.000 0.995 615 E CA 0.845 57.325 56.400 0.133 0.000 0.836 615 E CB 0.051 29.797 29.700 0.076 0.000 0.763 615 E HN 0.545 nan 8.360 nan 0.000 0.491 616 L N 0.192 121.591 121.223 0.292 0.000 2.109 616 L HA -0.114 4.237 4.340 0.018 0.000 0.207 616 L C 2.477 179.341 176.870 -0.010 0.000 1.086 616 L CA 0.908 55.870 54.840 0.203 0.000 0.760 616 L CB -0.230 42.000 42.059 0.286 0.000 0.910 616 L HN 0.044 nan 8.230 nan 0.000 0.437 617 R N -0.547 119.763 120.500 -0.316 0.000 2.066 617 R HA -0.104 4.247 4.340 0.018 0.000 0.232 617 R C 2.285 178.431 176.300 -0.257 0.000 1.131 617 R CA 1.050 56.774 56.100 -0.626 0.000 0.955 617 R CB -0.480 29.415 30.300 -0.675 0.000 0.851 617 R HN 0.123 nan 8.270 nan 0.000 0.432 618 V N 1.658 121.478 119.914 -0.156 0.000 2.332 618 V HA -0.258 3.873 4.120 0.018 0.000 0.248 618 V C 2.227 178.257 176.094 -0.106 0.000 1.055 618 V CA 1.740 63.983 62.300 -0.096 0.000 1.038 618 V CB -0.448 31.339 31.823 -0.060 0.000 0.651 618 V HN 0.268 nan 8.190 nan 0.000 0.450 619 L N 0.683 121.835 121.223 -0.118 0.000 2.083 619 L HA -0.056 4.294 4.340 0.018 0.000 0.209 619 L C 2.410 179.147 176.870 -0.222 0.000 1.083 619 L CA 2.253 56.958 54.840 -0.226 0.000 0.752 619 L CB -0.864 41.126 42.059 -0.115 0.000 0.899 619 L HN 0.213 nan 8.230 nan 0.000 0.433 620 A N -1.177 121.581 122.820 -0.104 0.000 1.902 620 A HA -0.313 4.018 4.320 0.018 0.000 0.217 620 A C 2.275 179.820 177.584 -0.064 0.000 1.181 620 A CA 1.915 53.919 52.037 -0.054 0.000 0.623 620 A CB -1.043 17.998 19.000 0.068 0.000 0.818 620 A HN 0.721 nan 8.150 nan 0.000 0.443 621 H N -0.238 118.743 119.070 -0.148 0.000 2.299 621 H HA 0.044 4.610 4.556 0.018 0.000 0.302 621 H C 1.771 177.001 175.328 -0.163 0.000 1.078 621 H CA 1.902 57.874 56.048 -0.127 0.000 1.323 621 H CB -0.231 29.464 29.762 -0.112 0.000 1.381 621 H HN 0.339 nan 8.280 nan 0.000 0.498 622 L N -0.134 120.954 121.223 -0.225 0.000 2.131 622 L HA -0.129 4.222 4.340 0.018 0.000 0.210 622 L C 2.509 179.090 176.870 -0.481 0.000 1.092 622 L CA 1.487 56.106 54.840 -0.369 0.000 0.759 622 L CB -0.409 41.312 42.059 -0.563 0.000 0.903 622 L HN 0.461 nan 8.230 nan 0.000 0.435 623 S N -1.296 114.111 115.700 -0.489 0.000 2.483 623 S HA 0.125 4.606 4.470 0.018 0.000 0.221 623 S C 1.635 176.186 174.600 -0.082 0.000 1.030 623 S CA 0.456 58.492 58.200 -0.273 0.000 0.925 623 S CB 0.562 63.626 63.200 -0.227 0.000 0.795 623 S HN 0.466 nan 8.310 nan 0.000 0.511 624 G N 1.402 110.129 108.800 -0.122 0.000 2.155 624 G HA2 -0.293 3.678 3.960 0.018 0.000 0.257 624 G HA3 -0.293 3.678 3.960 0.018 0.000 0.257 624 G C -0.251 174.634 174.900 -0.025 0.000 0.983 624 G CA 0.295 45.349 45.100 -0.076 0.000 0.676 624 G HN 0.744 nan 8.290 nan 0.000 0.528 625 D N -0.059 120.332 120.400 -0.014 0.000 2.401 625 D HA 0.438 5.089 4.640 0.018 0.000 0.254 625 D C 1.535 177.852 176.300 0.029 0.000 1.192 625 D CA 0.172 54.188 54.000 0.027 0.000 0.885 625 D CB 0.517 41.349 40.800 0.052 0.000 1.147 625 D HN 0.357 nan 8.370 nan 0.000 0.478 626 E N 2.349 122.570 120.200 0.036 0.000 2.031 626 E HA -0.163 4.198 4.350 0.018 0.000 0.193 626 E C 1.473 178.099 176.600 0.044 0.000 0.994 626 E CA 1.000 57.418 56.400 0.030 0.000 0.800 626 E CB -0.087 29.625 29.700 0.021 0.000 0.752 626 E HN 0.463 nan 8.360 nan 0.000 0.447 627 N N 0.254 119.001 118.700 0.078 0.000 2.094 627 N HA -0.166 4.585 4.740 0.018 0.000 0.191 627 N C 1.601 177.194 175.510 0.139 0.000 1.023 627 N CA 0.760 53.880 53.050 0.116 0.000 0.857 627 N CB -0.326 38.251 38.487 0.151 0.000 1.013 627 N HN 0.090 nan 8.380 nan 0.000 0.426 628 L N 0.819 122.090 121.223 0.080 0.000 2.072 628 L HA 0.106 4.456 4.340 0.018 0.000 0.205 628 L C 1.868 178.681 176.870 -0.094 0.000 1.079 628 L CA 1.111 55.808 54.840 -0.238 0.000 0.752 628 L CB -0.499 41.325 42.059 -0.392 0.000 0.906 628 L HN 0.108 nan 8.230 nan 0.000 0.436 629 I N -0.694 119.893 120.570 0.028 0.000 2.226 629 I HA -0.306 3.874 4.170 0.018 0.000 0.245 629 I C 2.699 178.858 176.117 0.070 0.000 1.100 629 I CA 1.353 62.715 61.300 0.103 0.000 1.374 629 I CB -0.392 37.647 38.000 0.064 0.000 1.057 629 I HN 0.287 nan 8.210 nan 0.000 0.413 630 R N 0.862 121.371 120.500 0.015 0.000 2.096 630 R HA -0.147 4.203 4.340 0.018 0.000 0.235 630 R C 2.286 178.557 176.300 -0.048 0.000 1.127 630 R CA 1.410 57.509 56.100 -0.003 0.000 0.968 630 R CB -0.167 30.129 30.300 -0.006 0.000 0.861 630 R HN 0.163 nan 8.270 nan 0.000 0.440 631 V N 0.662 120.492 119.914 -0.140 0.000 2.332 631 V HA -0.251 3.880 4.120 0.018 0.000 0.248 631 V C 1.877 177.787 176.094 -0.306 0.000 1.055 631 V CA 1.825 63.950 62.300 -0.292 0.000 1.038 631 V CB -0.511 30.993 31.823 -0.532 0.000 0.651 631 V HN 0.261 nan 8.190 nan 0.000 0.450 632 F N -0.374 119.544 119.950 -0.053 0.000 2.416 632 F HA 0.023 4.563 4.527 0.022 0.000 0.296 632 F C 2.434 178.222 175.800 -0.020 0.000 1.099 632 F CA 0.736 58.711 58.000 -0.042 0.000 1.427 632 F CB -0.444 38.526 39.000 -0.049 0.000 1.079 632 F HN 0.128 nan 8.300 nan 0.000 0.536 633 Q N -0.107 119.776 119.800 0.137 0.000 2.435 633 Q HA -0.087 4.263 4.340 0.018 0.000 0.207 633 Q C 1.237 177.264 176.000 0.045 0.000 0.956 633 Q CA 0.805 56.656 55.803 0.081 0.000 0.917 633 Q CB -0.048 28.725 28.738 0.058 0.000 0.997 633 Q HN 0.507 nan 8.270 nan 0.000 0.497 634 E N -0.896 119.318 120.200 0.023 0.000 2.474 634 E HA 0.097 4.458 4.350 0.018 0.000 0.195 634 E C 0.622 177.227 176.600 0.009 0.000 1.039 634 E CA 0.265 56.668 56.400 0.004 0.000 0.881 634 E CB 0.747 30.434 29.700 -0.021 0.000 0.970 634 E HN 0.404 nan 8.360 nan 0.000 0.486 635 G N 2.502 111.321 108.800 0.032 0.000 2.160 635 G HA2 -0.335 3.636 3.960 0.018 0.000 0.251 635 G HA3 -0.335 3.636 3.960 0.018 0.000 0.251 635 G C 0.211 175.120 174.900 0.016 0.000 1.008 635 G CA 0.281 45.409 45.100 0.047 0.000 0.724 635 G HN 0.141 nan 8.290 nan 0.000 0.514 636 R N -0.231 120.245 120.500 -0.040 0.000 2.738 636 R HA 0.492 4.843 4.340 0.018 0.000 0.275 636 R C -0.429 175.820 176.300 -0.086 0.000 1.121 636 R CA 0.049 56.102 56.100 -0.079 0.000 1.207 636 R CB 0.414 30.632 30.300 -0.137 0.000 1.141 636 R HN 0.162 nan 8.270 nan 0.000 0.571 637 D N 0.895 121.244 120.400 -0.085 0.000 2.386 637 D HA 0.108 4.759 4.640 0.018 0.000 0.247 637 D C 0.673 176.911 176.300 -0.103 0.000 1.336 637 D CA -0.339 53.622 54.000 -0.066 0.000 0.976 637 D CB 0.882 41.691 40.800 0.015 0.000 1.257 637 D HN 0.244 nan 8.370 nan 0.000 0.570 638 I N 2.757 123.195 120.570 -0.220 0.000 2.286 638 I HA -0.197 3.984 4.170 0.018 0.000 0.248 638 I C 1.963 178.035 176.117 -0.075 0.000 1.115 638 I CA 1.010 62.183 61.300 -0.211 0.000 1.392 638 I CB -0.899 36.902 38.000 -0.331 0.000 1.065 638 I HN 0.515 nan 8.210 nan 0.000 0.418 639 H N 0.577 119.644 119.070 -0.005 0.000 2.353 639 H HA -0.063 4.503 4.556 0.016 0.000 0.300 639 H C 2.269 177.638 175.328 0.070 0.000 1.090 639 H CA 1.873 57.939 56.048 0.030 0.000 1.327 639 H CB -0.894 28.898 29.762 0.050 0.000 1.383 639 H HN 0.262 nan 8.280 nan 0.000 0.508 640 T N 1.021 115.680 114.554 0.175 0.000 2.821 640 T HA -0.095 4.266 4.350 0.018 0.000 0.267 640 T C 1.867 176.645 174.700 0.130 0.000 1.046 640 T CA 1.171 63.352 62.100 0.135 0.000 1.139 640 T CB 0.002 68.925 68.868 0.092 0.000 0.871 640 T HN 0.484 nan 8.240 nan 0.000 0.454 641 E N 0.618 120.873 120.200 0.092 0.000 2.106 641 E HA -0.088 4.273 4.350 0.018 0.000 0.192 641 E C 2.374 179.071 176.600 0.160 0.000 0.984 641 E CA 1.248 57.700 56.400 0.087 0.000 0.806 641 E CB -0.184 29.520 29.700 0.007 0.000 0.750 641 E HN 0.376 nan 8.360 nan 0.000 0.458 642 T N 0.808 115.467 114.554 0.174 0.000 2.821 642 T HA -0.082 4.279 4.350 0.018 0.000 0.267 642 T C 1.958 176.873 174.700 0.360 0.000 1.046 642 T CA 1.021 63.283 62.100 0.271 0.000 1.139 642 T CB -0.100 68.924 68.868 0.261 0.000 0.871 642 T HN 0.219 nan 8.240 nan 0.000 0.454 643 A N 1.983 124.987 122.820 0.306 0.000 1.898 643 A HA -0.092 4.239 4.320 0.018 0.000 0.216 643 A C 2.544 180.372 177.584 0.407 0.000 1.181 643 A CA 1.987 54.251 52.037 0.378 0.000 0.620 643 A CB -0.784 18.386 19.000 0.283 0.000 0.819 643 A HN 0.591 nan 8.150 nan 0.000 0.442 644 S N -2.252 113.624 115.700 0.292 0.000 2.453 644 S HA -0.176 4.305 4.470 0.018 0.000 0.231 644 S C 1.640 176.396 174.600 0.260 0.000 1.005 644 S CA 1.092 59.436 58.200 0.240 0.000 0.949 644 S CB -0.635 62.665 63.200 0.168 0.000 0.774 644 S HN 0.791 nan 8.310 nan 0.000 0.510 645 W N 1.800 123.167 121.300 0.112 0.000 2.481 645 W HA 0.233 4.900 4.660 0.012 0.000 0.293 645 W C 2.125 178.665 176.519 0.036 0.000 1.201 645 W CA 0.647 58.041 57.345 0.082 0.000 1.328 645 W CB -0.147 29.379 29.460 0.110 0.000 1.112 645 W HN 0.159 nan 8.180 nan 0.000 0.546 646 M N -0.639 119.083 119.600 0.203 0.000 2.117 646 M HA -0.146 4.345 4.480 0.018 0.000 0.262 646 M C 1.287 177.307 176.300 -0.466 0.000 1.065 646 M CA 1.778 56.938 55.300 -0.235 0.000 1.114 646 M CB -0.630 31.843 32.600 -0.212 0.000 1.361 646 M HN -0.065 nan 8.290 nan 0.000 0.408 647 F N -0.374 119.542 119.950 -0.056 0.000 2.693 647 F HA 0.316 4.852 4.527 0.015 0.000 0.303 647 F C 1.488 177.241 175.800 -0.079 0.000 1.097 647 F CA 0.039 58.002 58.000 -0.061 0.000 1.330 647 F CB -0.216 38.776 39.000 -0.013 0.000 1.067 647 F HN 0.284 nan 8.300 nan 0.000 0.565 648 G N 2.008 110.809 108.800 0.002 0.000 2.390 648 G HA2 -0.184 3.787 3.960 0.018 0.000 0.299 648 G HA3 -0.184 3.787 3.960 0.018 0.000 0.299 648 G C -0.046 174.878 174.900 0.040 0.000 1.002 648 G CA 0.501 45.583 45.100 -0.030 0.000 0.979 648 G HN 0.495 nan 8.290 nan 0.000 0.513 649 V N -3.801 116.166 119.914 0.089 0.000 3.046 649 V HA 0.964 5.095 4.120 0.018 0.000 0.316 649 V C -2.068 174.068 176.094 0.070 0.000 1.104 649 V CA -2.864 59.478 62.300 0.070 0.000 1.006 649 V CB 2.137 33.999 31.823 0.065 0.000 1.058 649 V HN 0.046 nan 8.190 nan 0.000 0.440 650 P HA 0.352 nan 4.420 nan 0.000 0.271 650 P C 0.558 177.890 177.300 0.054 0.000 1.233 650 P CA -0.255 62.874 63.100 0.048 0.000 0.789 650 P CB 0.460 32.179 31.700 0.032 0.000 0.951 651 R N 1.193 121.724 120.500 0.053 0.000 2.127 651 R HA -0.148 4.203 4.340 0.018 0.000 0.238 651 R C 1.783 178.106 176.300 0.039 0.000 1.134 651 R CA 1.397 57.529 56.100 0.053 0.000 0.975 651 R CB -0.271 30.056 30.300 0.045 0.000 0.865 651 R HN 0.647 nan 8.270 nan 0.000 0.447 652 E N 0.201 120.418 120.200 0.029 0.000 2.358 652 E HA -0.075 4.286 4.350 0.018 0.000 0.195 652 E C 1.272 177.879 176.600 0.012 0.000 1.010 652 E CA 1.022 57.434 56.400 0.019 0.000 0.856 652 E CB 0.074 29.783 29.700 0.016 0.000 0.795 652 E HN 0.255 nan 8.360 nan 0.000 0.504 653 A N 1.344 124.171 122.820 0.013 0.000 2.275 653 A HA 0.221 4.552 4.320 0.018 0.000 0.212 653 A C 0.985 178.556 177.584 -0.021 0.000 1.201 653 A CA -0.250 51.786 52.037 -0.002 0.000 0.843 653 A CB 0.201 19.204 19.000 0.005 0.000 0.873 653 A HN 0.064 nan 8.150 nan 0.000 0.492 654 V N 2.786 122.695 119.914 -0.007 0.000 2.455 654 V HA 0.230 4.361 4.120 0.018 0.000 0.273 654 V C -0.135 175.933 176.094 -0.044 0.000 1.045 654 V CA -0.358 61.924 62.300 -0.029 0.000 0.976 654 V CB 0.700 32.540 31.823 0.028 0.000 0.993 654 V HN 0.693 nan 8.190 nan 0.000 0.475 655 D N 5.565 125.908 120.400 -0.096 0.000 2.440 655 D HA 0.426 5.077 4.640 0.018 0.000 0.258 655 D C -2.070 174.191 176.300 -0.065 0.000 1.092 655 D CA -2.220 51.736 54.000 -0.074 0.000 1.016 655 D CB 0.732 41.477 40.800 -0.092 0.000 1.141 655 D HN 0.143 nan 8.370 nan 0.000 0.552 656 P HA -0.130 nan 4.420 nan 0.000 0.216 656 P C 1.540 178.822 177.300 -0.030 0.000 1.153 656 P CA 0.696 63.785 63.100 -0.020 0.000 0.858 656 P CB 0.159 31.850 31.700 -0.016 0.000 0.789 657 L N -1.755 119.433 121.223 -0.058 0.000 2.141 657 L HA -0.083 4.268 4.340 0.018 0.000 0.209 657 L C 2.231 179.065 176.870 -0.060 0.000 1.094 657 L CA 1.850 56.659 54.840 -0.052 0.000 0.763 657 L CB -1.026 40.995 42.059 -0.063 0.000 0.908 657 L HN 0.104 nan 8.230 nan 0.000 0.437 658 M N -1.276 118.221 119.600 -0.172 0.000 2.132 658 M HA -0.217 4.274 4.480 0.018 0.000 0.263 658 M C 2.317 178.664 176.300 0.079 0.000 1.065 658 M CA 1.459 56.614 55.300 -0.242 0.000 1.122 658 M CB -0.332 31.919 32.600 -0.583 0.000 1.365 658 M HN 0.097 nan 8.290 nan 0.000 0.411 659 R N 0.349 120.874 120.500 0.041 0.000 2.075 659 R HA -0.141 4.210 4.340 0.018 0.000 0.232 659 R C 2.285 178.624 176.300 0.065 0.000 1.126 659 R CA 1.550 57.704 56.100 0.091 0.000 0.963 659 R CB -0.148 30.199 30.300 0.079 0.000 0.858 659 R HN 0.218 nan 8.270 nan 0.000 0.435 660 R N -0.065 120.461 120.500 0.042 0.000 2.096 660 R HA -0.091 4.260 4.340 0.018 0.000 0.235 660 R C 2.049 178.383 176.300 0.056 0.000 1.127 660 R CA 1.434 57.550 56.100 0.028 0.000 0.968 660 R CB -0.271 30.043 30.300 0.022 0.000 0.861 660 R HN 0.312 nan 8.270 nan 0.000 0.440 661 A N 0.694 123.581 122.820 0.111 0.000 1.908 661 A HA -0.124 4.207 4.320 0.018 0.000 0.218 661 A C 2.315 179.977 177.584 0.129 0.000 1.181 661 A CA 1.735 53.863 52.037 0.152 0.000 0.627 661 A CB -0.762 18.416 19.000 0.297 0.000 0.818 661 A HN 0.527 nan 8.150 nan 0.000 0.445 662 A N -0.596 122.317 122.820 0.156 0.000 2.066 662 A HA -0.062 4.269 4.320 0.018 0.000 0.218 662 A C 2.031 179.645 177.584 0.050 0.000 1.157 662 A CA 1.645 53.765 52.037 0.138 0.000 0.670 662 A CB -0.306 18.817 19.000 0.206 0.000 0.804 662 A HN 0.562 nan 8.150 nan 0.000 0.453 663 K N -0.422 119.945 120.400 -0.056 0.000 2.062 663 K HA -0.097 4.234 4.320 0.018 0.000 0.205 663 K C 2.238 178.860 176.600 0.037 0.000 1.051 663 K CA 1.728 57.886 56.287 -0.216 0.000 0.941 663 K CB -0.364 31.974 32.500 -0.270 0.000 0.719 663 K HN 0.660 nan 8.250 nan 0.000 0.440 664 T N -0.192 114.417 114.554 0.091 0.000 2.915 664 T HA -0.061 4.300 4.350 0.018 0.000 0.269 664 T C 1.781 176.548 174.700 0.111 0.000 1.071 664 T CA 0.706 62.889 62.100 0.138 0.000 1.132 664 T CB -0.123 68.804 68.868 0.099 0.000 0.878 664 T HN -0.081 nan 8.240 nan 0.000 0.479 665 I N 2.290 122.899 120.570 0.064 0.000 2.286 665 I HA -0.008 4.173 4.170 0.018 0.000 0.245 665 I C 2.393 178.552 176.117 0.071 0.000 1.104 665 I CA 0.800 62.119 61.300 0.032 0.000 1.397 665 I CB -1.356 36.634 38.000 -0.017 0.000 1.072 665 I HN 0.278 nan 8.210 nan 0.000 0.417 666 N N 0.808 119.554 118.700 0.076 0.000 2.106 666 N HA -0.133 4.618 4.740 0.018 0.000 0.188 666 N C 1.792 177.274 175.510 -0.046 0.000 1.029 666 N CA 1.356 54.453 53.050 0.078 0.000 0.848 666 N CB -0.335 38.154 38.487 0.002 0.000 1.007 666 N HN 0.198 nan 8.380 nan 0.000 0.423 667 F N 0.681 120.727 119.950 0.160 0.000 2.293 667 F HA 0.179 4.720 4.527 0.023 0.000 0.297 667 F C 2.443 178.322 175.800 0.132 0.000 1.089 667 F CA 0.456 58.534 58.000 0.130 0.000 1.377 667 F CB -0.998 38.153 39.000 0.251 0.000 1.051 667 F HN 0.018 nan 8.300 nan 0.000 0.511 668 G N 0.037 109.000 108.800 0.271 0.000 2.459 668 G HA2 -0.204 3.767 3.960 0.018 0.000 0.217 668 G HA3 -0.204 3.767 3.960 0.018 0.000 0.217 668 G C 1.900 176.876 174.900 0.127 0.000 1.183 668 G CA 1.243 46.462 45.100 0.198 0.000 0.776 668 G HN 0.227 nan 8.290 nan 0.000 0.552 669 V N 1.083 120.997 119.914 0.001 0.000 2.343 669 V HA -0.098 4.033 4.120 0.018 0.000 0.247 669 V C 2.666 178.690 176.094 -0.117 0.000 1.051 669 V CA 1.418 63.648 62.300 -0.116 0.000 1.036 669 V CB -0.315 31.295 31.823 -0.355 0.000 0.654 669 V HN 0.358 nan 8.190 nan 0.000 0.451 670 L N -0.336 120.747 121.223 -0.233 0.000 2.046 670 L HA -0.172 4.179 4.340 0.018 0.000 0.208 670 L C 2.006 178.994 176.870 0.195 0.000 1.077 670 L CA 2.364 57.137 54.840 -0.111 0.000 0.747 670 L CB -0.780 41.124 42.059 -0.258 0.000 0.896 670 L HN 0.411 nan 8.230 nan 0.000 0.432 671 Y N 0.198 120.727 120.300 0.383 0.000 2.495 671 Y HA 0.388 4.950 4.550 0.020 0.000 0.293 671 Y C 1.527 177.599 175.900 0.287 0.000 1.186 671 Y CA 0.141 58.448 58.100 0.345 0.000 1.266 671 Y CB -0.313 38.227 38.460 0.134 0.000 1.101 671 Y HN 0.389 nan 8.280 nan 0.000 0.517 672 G N -0.027 109.019 108.800 0.410 0.000 2.141 672 G HA2 -0.255 3.716 3.960 0.018 0.000 0.164 672 G HA3 -0.255 3.716 3.960 0.018 0.000 0.164 672 G C 0.209 175.229 174.900 0.200 0.000 1.009 672 G CA -0.248 45.038 45.100 0.309 0.000 0.677 672 G HN 0.299 nan 8.290 nan 0.000 0.508 673 M N 2.235 121.938 119.600 0.173 0.000 2.252 673 M HA 0.440 4.931 4.480 0.018 0.000 0.329 673 M C 1.242 177.605 176.300 0.105 0.000 1.101 673 M CA 0.642 56.014 55.300 0.120 0.000 1.117 673 M CB 0.481 33.134 32.600 0.087 0.000 1.563 673 M HN 0.787 nan 8.290 nan 0.000 0.445 674 S N 3.860 119.617 115.700 0.095 0.000 2.601 674 S HA 0.509 4.990 4.470 0.018 0.000 0.271 674 S C 0.881 175.514 174.600 0.055 0.000 1.305 674 S CA -0.411 57.848 58.200 0.100 0.000 1.022 674 S CB 1.472 64.758 63.200 0.144 0.000 0.940 674 S HN 0.842 nan 8.310 nan 0.000 0.525 675 A N 1.092 123.915 122.820 0.005 0.000 1.933 675 A HA -0.154 4.177 4.320 0.018 0.000 0.218 675 A C 2.127 179.621 177.584 -0.149 0.000 1.175 675 A CA 1.793 53.712 52.037 -0.196 0.000 0.628 675 A CB -1.552 17.124 19.000 -0.541 0.000 0.814 675 A HN 1.079 nan 8.150 nan 0.000 0.444 676 H N -0.339 118.752 119.070 0.034 0.000 2.293 676 H HA -0.160 4.407 4.556 0.018 0.000 0.300 676 H C 2.407 177.796 175.328 0.101 0.000 1.082 676 H CA 1.883 58.062 56.048 0.219 0.000 1.308 676 H CB -0.105 29.834 29.762 0.295 0.000 1.375 676 H HN 0.513 nan 8.280 nan 0.000 0.495 677 R N 0.702 121.155 120.500 -0.078 0.000 2.073 677 R HA -0.115 4.236 4.340 0.018 0.000 0.234 677 R C 2.634 178.867 176.300 -0.110 0.000 1.134 677 R CA 1.365 57.378 56.100 -0.145 0.000 0.952 677 R CB -0.418 29.868 30.300 -0.023 0.000 0.850 677 R HN 0.356 nan 8.270 nan 0.000 0.433 678 L N 1.240 122.421 121.223 -0.069 0.000 2.042 678 L HA -0.164 4.187 4.340 0.018 0.000 0.210 678 L C 2.244 179.054 176.870 -0.100 0.000 1.076 678 L CA 2.603 57.392 54.840 -0.086 0.000 0.749 678 L CB -1.105 40.905 42.059 -0.081 0.000 0.893 678 L HN 0.518 nan 8.230 nan 0.000 0.432 679 S N -1.112 114.535 115.700 -0.088 0.000 2.423 679 S HA -0.242 4.239 4.470 0.018 0.000 0.231 679 S C 1.868 176.435 174.600 -0.055 0.000 1.014 679 S CA 1.132 59.302 58.200 -0.049 0.000 0.965 679 S CB -0.208 63.004 63.200 0.019 0.000 0.785 679 S HN 0.500 nan 8.310 nan 0.000 0.495 680 Q N 1.154 120.892 119.800 -0.103 0.000 2.137 680 Q HA 0.102 4.453 4.340 0.018 0.000 0.198 680 Q C 2.069 178.025 176.000 -0.073 0.000 0.960 680 Q CA 1.611 57.354 55.803 -0.101 0.000 0.847 680 Q CB -0.185 28.445 28.738 -0.181 0.000 0.915 680 Q HN 0.777 nan 8.270 nan 0.000 0.448 681 E N -0.567 119.586 120.200 -0.078 0.000 2.112 681 E HA -0.042 4.319 4.350 0.018 0.000 0.190 681 E C 1.559 178.109 176.600 -0.083 0.000 0.979 681 E CA 0.698 57.060 56.400 -0.064 0.000 0.814 681 E CB 0.113 29.780 29.700 -0.055 0.000 0.762 681 E HN 0.351 nan 8.360 nan 0.000 0.460 682 L N 0.098 121.257 121.223 -0.106 0.000 2.492 682 L HA 0.199 4.550 4.340 0.018 0.000 0.223 682 L C 1.029 177.825 176.870 -0.123 0.000 1.132 682 L CA 0.156 54.912 54.840 -0.140 0.000 0.850 682 L CB -0.295 41.680 42.059 -0.140 0.000 0.966 682 L HN 0.013 nan 8.230 nan 0.000 0.454 683 A N 1.542 124.314 122.820 -0.080 0.000 2.739 683 A HA -0.204 4.127 4.320 0.018 0.000 0.296 683 A C 0.311 177.864 177.584 -0.053 0.000 1.488 683 A CA 1.134 53.138 52.037 -0.055 0.000 0.746 683 A CB -2.504 16.463 19.000 -0.055 0.000 1.047 683 A HN 0.604 nan 8.150 nan 0.000 0.477 684 I N -3.851 116.695 120.570 -0.039 0.000 2.957 684 I HA 0.870 5.050 4.170 0.018 0.000 0.310 684 I C -2.552 173.584 176.117 0.032 0.000 1.063 684 I CA -3.414 57.876 61.300 -0.018 0.000 1.033 684 I CB 1.536 39.522 38.000 -0.023 0.000 1.230 684 I HN -0.014 nan 8.210 nan 0.000 0.447 685 P HA 0.003 nan 4.420 nan 0.000 0.269 685 P C -0.070 177.319 177.300 0.148 0.000 1.215 685 P CA 0.118 63.282 63.100 0.106 0.000 0.780 685 P CB 0.300 32.058 31.700 0.097 0.000 0.898 686 Y N 1.978 122.323 120.300 0.075 0.000 2.151 686 Y HA -0.294 4.267 4.550 0.019 0.000 0.284 686 Y C 1.886 177.841 175.900 0.091 0.000 1.166 686 Y CA 1.983 60.139 58.100 0.094 0.000 1.163 686 Y CB -0.296 38.226 38.460 0.103 0.000 0.974 686 Y HN 0.348 nan 8.280 nan 0.000 0.511 687 E N 0.324 120.689 120.200 0.274 0.000 2.110 687 E HA -0.175 4.186 4.350 0.018 0.000 0.193 687 E C 2.058 178.719 176.600 0.102 0.000 0.988 687 E CA 1.742 58.256 56.400 0.191 0.000 0.804 687 E CB -0.167 29.636 29.700 0.173 0.000 0.745 687 E HN 0.637 nan 8.360 nan 0.000 0.458 688 E N 0.016 120.280 120.200 0.106 0.000 2.107 688 E HA -0.075 4.286 4.350 0.018 0.000 0.191 688 E C 2.060 178.746 176.600 0.143 0.000 0.982 688 E CA 0.742 57.224 56.400 0.136 0.000 0.809 688 E CB -0.117 29.669 29.700 0.143 0.000 0.756 688 E HN 0.257 nan 8.360 nan 0.000 0.459 689 A N 1.316 124.167 122.820 0.052 0.000 1.940 689 A HA -0.273 4.058 4.320 0.018 0.000 0.219 689 A C 2.151 179.735 177.584 0.001 0.000 1.176 689 A CA 1.723 53.761 52.037 0.001 0.000 0.631 689 A CB -0.399 18.529 19.000 -0.119 0.000 0.814 689 A HN 0.105 nan 8.150 nan 0.000 0.446 690 Q N -0.298 119.449 119.800 -0.088 0.000 2.123 690 Q HA 0.085 4.436 4.340 0.018 0.000 0.199 690 Q C 2.010 178.039 176.000 0.048 0.000 0.966 690 Q CA 1.871 57.638 55.803 -0.061 0.000 0.845 690 Q CB -0.604 28.081 28.738 -0.090 0.000 0.907 690 Q HN 0.540 nan 8.270 nan 0.000 0.439 691 A N -0.537 122.330 122.820 0.079 0.000 1.930 691 A HA -0.110 4.221 4.320 0.018 0.000 0.217 691 A C 1.976 179.602 177.584 0.070 0.000 1.175 691 A CA 1.166 53.250 52.037 0.079 0.000 0.627 691 A CB -0.903 18.156 19.000 0.098 0.000 0.815 691 A HN 0.551 nan 8.150 nan 0.000 0.443 692 F N 0.463 120.394 119.950 -0.032 0.000 2.134 692 F HA -0.121 4.409 4.527 0.004 0.000 0.299 692 F C 1.878 177.633 175.800 -0.075 0.000 1.097 692 F CA 1.772 59.698 58.000 -0.122 0.000 1.264 692 F CB -0.117 38.793 39.000 -0.151 0.000 1.001 692 F HN 0.166 nan 8.300 nan 0.000 0.479 693 I N 0.742 121.421 120.570 0.183 0.000 2.353 693 I HA -0.248 3.933 4.170 0.018 0.000 0.248 693 I C 2.383 178.588 176.117 0.146 0.000 1.119 693 I CA 1.631 63.016 61.300 0.140 0.000 1.417 693 I CB -0.553 37.555 38.000 0.179 0.000 1.078 693 I HN 0.316 nan 8.210 nan 0.000 0.421 694 E N 1.057 121.311 120.200 0.090 0.000 2.107 694 E HA -0.241 4.120 4.350 0.018 0.000 0.191 694 E C 2.293 178.903 176.600 0.016 0.000 0.982 694 E CA 0.637 57.092 56.400 0.092 0.000 0.809 694 E CB -0.357 29.373 29.700 0.050 0.000 0.756 694 E HN 0.381 nan 8.360 nan 0.000 0.459 695 R N -0.278 120.159 120.500 -0.105 0.000 2.115 695 R HA -0.155 4.196 4.340 0.018 0.000 0.226 695 R C 2.144 178.252 176.300 -0.321 0.000 1.100 695 R CA 1.031 57.001 56.100 -0.216 0.000 0.980 695 R CB -0.342 29.789 30.300 -0.282 0.000 0.875 695 R HN 0.248 nan 8.270 nan 0.000 0.445 696 Y N 0.210 120.186 120.300 -0.541 0.000 2.114 696 Y HA -0.255 4.304 4.550 0.015 0.000 0.282 696 Y C 1.426 177.026 175.900 -0.500 0.000 1.165 696 Y CA 1.943 59.652 58.100 -0.651 0.000 1.148 696 Y CB -0.332 37.666 38.460 -0.770 0.000 0.972 696 Y HN 0.018 nan 8.280 nan 0.000 0.504 697 F N 0.185 120.206 119.950 0.117 0.000 2.473 697 F HA -0.055 4.484 4.527 0.020 0.000 0.294 697 F C 2.532 178.313 175.800 -0.032 0.000 1.103 697 F CA 1.158 59.226 58.000 0.114 0.000 1.442 697 F CB -0.603 38.452 39.000 0.090 0.000 1.097 697 F HN 0.240 nan 8.300 nan 0.000 0.547 698 Q N -0.822 119.001 119.800 0.038 0.000 2.311 698 Q HA -0.072 4.279 4.340 0.018 0.000 0.203 698 Q C 1.698 177.580 176.000 -0.197 0.000 0.954 698 Q CA 1.514 57.287 55.803 -0.051 0.000 0.885 698 Q CB -0.443 28.258 28.738 -0.062 0.000 0.963 698 Q HN 0.165 nan 8.270 nan 0.000 0.471 699 S N 0.142 115.589 115.700 -0.422 0.000 2.423 699 S HA 0.020 4.501 4.470 0.018 0.000 0.231 699 S C -0.333 173.731 174.600 -0.895 0.000 1.014 699 S CA 0.645 58.370 58.200 -0.792 0.000 0.965 699 S CB 0.043 62.481 63.200 -1.270 0.000 0.785 699 S HN 0.423 nan 8.310 nan 0.000 0.495 700 F N 0.219 120.106 119.950 -0.104 0.000 2.622 700 F HA 0.400 4.940 4.527 0.021 0.000 0.338 700 F C -2.294 173.523 175.800 0.030 0.000 1.334 700 F CA -2.818 55.145 58.000 -0.060 0.000 1.179 700 F CB 0.719 39.660 39.000 -0.098 0.000 1.471 700 F HN -0.094 nan 8.300 nan 0.000 0.576 701 P HA -0.212 nan 4.420 nan 0.000 0.216 701 P C 1.463 178.835 177.300 0.120 0.000 1.154 701 P CA 1.744 64.903 63.100 0.099 0.000 0.865 701 P CB 0.293 32.021 31.700 0.046 0.000 0.789 702 K N -0.804 119.670 120.400 0.123 0.000 2.439 702 K HA -0.005 4.325 4.320 0.018 0.000 0.197 702 K C 1.809 178.509 176.600 0.167 0.000 1.041 702 K CA 0.544 56.901 56.287 0.117 0.000 0.970 702 K CB -0.454 32.099 32.500 0.088 0.000 0.773 702 K HN 0.079 nan 8.250 nan 0.000 0.479 703 V N 1.280 121.318 119.914 0.206 0.000 2.295 703 V HA -0.224 3.907 4.120 0.018 0.000 0.246 703 V C 2.352 178.592 176.094 0.244 0.000 1.049 703 V CA 1.555 64.010 62.300 0.258 0.000 1.024 703 V CB -0.346 31.679 31.823 0.337 0.000 0.648 703 V HN 0.281 nan 8.190 nan 0.000 0.447 704 R N -0.110 120.484 120.500 0.156 0.000 2.120 704 R HA -0.067 4.283 4.340 0.018 0.000 0.234 704 R C 2.333 178.624 176.300 -0.015 0.000 1.123 704 R CA 1.448 57.536 56.100 -0.020 0.000 0.975 704 R CB -0.797 29.449 30.300 -0.090 0.000 0.866 704 R HN 0.551 nan 8.270 nan 0.000 0.446 705 A N -0.154 122.697 122.820 0.052 0.000 1.898 705 A HA -0.193 4.138 4.320 0.018 0.000 0.216 705 A C 1.993 179.611 177.584 0.058 0.000 1.181 705 A CA 1.181 53.240 52.037 0.037 0.000 0.620 705 A CB -0.867 18.167 19.000 0.057 0.000 0.819 705 A HN 0.554 nan 8.150 nan 0.000 0.442 706 W N 0.777 122.055 121.300 -0.037 0.000 2.358 706 W HA -0.177 4.494 4.660 0.018 0.000 0.303 706 W C 1.740 178.228 176.519 -0.053 0.000 1.208 706 W CA 1.932 59.260 57.345 -0.029 0.000 1.274 706 W CB -0.263 29.198 29.460 0.001 0.000 1.138 706 W HN 0.302 nan 8.180 nan 0.000 0.515 707 I N 0.660 121.186 120.570 -0.073 0.000 2.163 707 I HA -0.350 3.831 4.170 0.018 0.000 0.243 707 I C 2.349 178.230 176.117 -0.393 0.000 1.085 707 I CA 2.044 63.102 61.300 -0.404 0.000 1.347 707 I CB -0.694 37.000 38.000 -0.510 0.000 1.044 707 I HN 0.073 nan 8.210 nan 0.000 0.408 708 E N 0.733 120.778 120.200 -0.258 0.000 2.110 708 E HA -0.285 4.076 4.350 0.018 0.000 0.193 708 E C 2.079 178.553 176.600 -0.209 0.000 0.988 708 E CA 1.437 57.718 56.400 -0.198 0.000 0.804 708 E CB -0.081 29.537 29.700 -0.135 0.000 0.745 708 E HN 0.384 nan 8.360 nan 0.000 0.458 709 K N 0.876 121.134 120.400 -0.237 0.000 2.097 709 K HA -0.085 4.246 4.320 0.018 0.000 0.205 709 K C 1.923 178.334 176.600 -0.315 0.000 1.050 709 K CA 1.869 58.018 56.287 -0.231 0.000 0.938 709 K CB -0.473 31.915 32.500 -0.187 0.000 0.718 709 K HN -0.109 nan 8.250 nan 0.000 0.442 710 T N 1.213 115.457 114.554 -0.516 0.000 2.821 710 T HA 0.014 4.375 4.350 0.018 0.000 0.267 710 T C 1.640 176.162 174.700 -0.298 0.000 1.046 710 T CA 1.415 63.198 62.100 -0.529 0.000 1.139 710 T CB -0.168 68.145 68.868 -0.924 0.000 0.871 710 T HN 0.128 nan 8.240 nan 0.000 0.454 711 L N 0.680 121.761 121.223 -0.237 0.000 2.109 711 L HA -0.000 4.350 4.340 0.018 0.000 0.207 711 L C 2.924 179.721 176.870 -0.122 0.000 1.086 711 L CA 1.001 55.763 54.840 -0.129 0.000 0.760 711 L CB -0.449 41.560 42.059 -0.083 0.000 0.910 711 L HN 0.180 nan 8.230 nan 0.000 0.437 712 E N 0.677 120.795 120.200 -0.137 0.000 2.051 712 E HA -0.270 4.091 4.350 0.018 0.000 0.192 712 E C 1.980 178.506 176.600 -0.124 0.000 0.991 712 E CA 1.367 57.699 56.400 -0.113 0.000 0.799 712 E CB 0.001 29.637 29.700 -0.107 0.000 0.748 712 E HN 0.409 nan 8.360 nan 0.000 0.449 713 E N 0.129 120.235 120.200 -0.157 0.000 2.110 713 E HA -0.143 4.218 4.350 0.018 0.000 0.193 713 E C 1.995 178.467 176.600 -0.215 0.000 0.988 713 E CA 1.356 57.648 56.400 -0.180 0.000 0.804 713 E CB -0.462 29.121 29.700 -0.196 0.000 0.745 713 E HN 0.292 nan 8.360 nan 0.000 0.458 714 G N 0.973 109.656 108.800 -0.194 0.000 2.432 714 G HA2 -0.236 3.735 3.960 0.018 0.000 0.219 714 G HA3 -0.236 3.735 3.960 0.018 0.000 0.219 714 G C 1.825 176.652 174.900 -0.121 0.000 1.135 714 G CA 0.562 45.555 45.100 -0.178 0.000 0.767 714 G HN 0.213 nan 8.290 nan 0.000 0.550 715 R N -0.371 120.073 120.500 -0.095 0.000 2.090 715 R HA 0.074 4.425 4.340 0.018 0.000 0.228 715 R C 2.620 178.886 176.300 -0.057 0.000 1.110 715 R CA 1.002 57.067 56.100 -0.058 0.000 0.973 715 R CB -0.226 30.044 30.300 -0.049 0.000 0.869 715 R HN 0.301 nan 8.270 nan 0.000 0.440 716 R N 1.127 121.577 120.500 -0.084 0.000 2.062 716 R HA -0.071 4.280 4.340 0.018 0.000 0.229 716 R C 1.905 178.161 176.300 -0.073 0.000 1.128 716 R CA 1.391 57.448 56.100 -0.072 0.000 0.960 716 R CB 0.096 30.346 30.300 -0.084 0.000 0.855 716 R HN 0.124 nan 8.270 nan 0.000 0.432 717 R N -1.218 119.190 120.500 -0.152 0.000 2.223 717 R HA 0.172 4.523 4.340 0.018 0.000 0.198 717 R C 1.178 177.459 176.300 -0.031 0.000 0.984 717 R CA 0.694 56.684 56.100 -0.183 0.000 1.018 717 R CB 0.432 30.403 30.300 -0.548 0.000 0.945 717 R HN 0.530 nan 8.270 nan 0.000 0.479 718 G N 0.974 109.757 108.800 -0.028 0.000 2.175 718 G HA2 -0.300 3.671 3.960 0.018 0.000 0.244 718 G HA3 -0.300 3.671 3.960 0.018 0.000 0.244 718 G C -0.110 174.917 174.900 0.212 0.000 0.982 718 G CA 0.580 45.773 45.100 0.156 0.000 0.641 718 G HN 0.506 nan 8.290 nan 0.000 0.527 719 Y N -1.912 118.324 120.300 -0.107 0.000 2.638 719 Y HA 0.764 5.325 4.550 0.018 0.000 0.335 719 Y C -0.141 175.642 175.900 -0.195 0.000 1.155 719 Y CA -1.201 56.726 58.100 -0.289 0.000 1.046 719 Y CB 0.928 38.893 38.460 -0.826 0.000 1.303 719 Y HN 0.867 nan 8.280 nan 0.000 0.460 720 V N -0.975 118.933 119.914 -0.011 0.000 3.166 720 V HA 0.946 5.077 4.120 0.018 0.000 0.317 720 V C -0.900 175.257 176.094 0.104 0.000 1.136 720 V CA -0.793 61.494 62.300 -0.022 0.000 1.035 720 V CB 1.761 33.573 31.823 -0.019 0.000 1.110 720 V HN 1.162 nan 8.190 nan 0.000 0.450 721 E N -0.280 119.974 120.200 0.091 0.000 2.390 721 E HA 0.529 4.890 4.350 0.018 0.000 0.280 721 E C -0.715 175.959 176.600 0.123 0.000 0.992 721 E CA -0.502 55.965 56.400 0.112 0.000 0.790 721 E CB 1.934 31.721 29.700 0.145 0.000 1.248 721 E HN 0.978 nan 8.360 nan 0.000 0.447 722 T N -0.542 114.083 114.554 0.117 0.000 2.771 722 T HA 0.131 4.492 4.350 0.018 0.000 0.290 722 T C 1.160 175.899 174.700 0.066 0.000 1.005 722 T CA -0.487 61.691 62.100 0.129 0.000 0.944 722 T CB 0.512 69.480 68.868 0.167 0.000 1.147 722 T HN 0.484 nan 8.240 nan 0.000 0.534 723 L N -0.551 120.655 121.223 -0.029 0.000 2.191 723 L HA 0.184 4.535 4.340 0.018 0.000 0.212 723 L C 1.438 178.015 176.870 -0.490 0.000 1.103 723 L CA 1.545 56.212 54.840 -0.288 0.000 0.769 723 L CB -1.034 40.712 42.059 -0.522 0.000 0.908 723 L HN 0.718 nan 8.230 nan 0.000 0.438 724 F N -0.714 119.190 119.950 -0.077 0.000 2.695 724 F HA 0.448 4.985 4.527 0.018 0.000 0.303 724 F C 1.770 177.542 175.800 -0.046 0.000 1.091 724 F CA 0.326 58.251 58.000 -0.125 0.000 1.300 724 F CB 0.001 38.938 39.000 -0.104 0.000 1.071 724 F HN 0.087 nan 8.300 nan 0.000 0.578 725 G N 1.181 110.050 108.800 0.114 0.000 2.141 725 G HA2 -0.305 3.665 3.960 0.018 0.000 0.231 725 G HA3 -0.305 3.665 3.960 0.018 0.000 0.231 725 G C 0.422 175.368 174.900 0.078 0.000 0.984 725 G CA -0.304 44.847 45.100 0.086 0.000 0.660 725 G HN 0.360 nan 8.290 nan 0.000 0.525 726 R N 0.530 121.093 120.500 0.106 0.000 2.570 726 R HA 0.434 4.785 4.340 0.018 0.000 0.277 726 R C 0.425 176.722 176.300 -0.006 0.000 1.039 726 R CA 0.057 56.184 56.100 0.046 0.000 1.065 726 R CB 0.242 30.583 30.300 0.069 0.000 0.964 726 R HN 0.399 nan 8.270 nan 0.000 0.428 727 R N 2.710 123.152 120.500 -0.097 0.000 2.604 727 R HA 0.393 4.743 4.340 0.018 0.000 0.287 727 R C -0.485 175.718 176.300 -0.163 0.000 0.970 727 R CA -0.834 55.162 56.100 -0.173 0.000 0.946 727 R CB 1.855 31.875 30.300 -0.467 0.000 1.127 727 R HN 0.509 nan 8.270 nan 0.000 0.473 728 R N 2.395 122.815 120.500 -0.133 0.000 2.514 728 R HA 0.232 4.583 4.340 0.018 0.000 0.296 728 R C -1.420 174.837 176.300 -0.073 0.000 1.012 728 R CA -0.603 55.455 56.100 -0.070 0.000 0.897 728 R CB 0.971 31.260 30.300 -0.018 0.000 1.184 728 R HN 0.561 nan 8.270 nan 0.000 0.440 729 Y N 2.970 123.300 120.300 0.050 0.000 2.359 729 Y HA 0.216 4.777 4.550 0.018 0.000 0.334 729 Y C 0.228 176.161 175.900 0.054 0.000 1.058 729 Y CA -0.143 58.009 58.100 0.087 0.000 1.244 729 Y CB 1.634 40.125 38.460 0.053 0.000 1.187 729 Y HN 0.210 nan 8.280 nan 0.000 0.510 730 V N 6.032 126.049 119.914 0.172 0.000 2.315 730 V HA 0.154 4.285 4.120 0.018 0.000 0.265 730 V C -1.848 174.300 176.094 0.091 0.000 1.019 730 V CA -1.318 61.041 62.300 0.099 0.000 0.824 730 V CB 0.906 32.757 31.823 0.047 0.000 1.072 730 V HN 0.685 nan 8.190 nan 0.000 0.448 731 P HA -0.086 nan 4.420 nan 0.000 0.218 731 P C 0.690 178.016 177.300 0.043 0.000 1.149 731 P CA 1.041 64.184 63.100 0.072 0.000 0.817 731 P CB 0.478 32.214 31.700 0.059 0.000 0.785 732 D N -0.372 120.050 120.400 0.037 0.000 2.378 732 D HA 0.010 4.661 4.640 0.018 0.000 0.227 732 D C 1.849 178.162 176.300 0.022 0.000 1.012 732 D CA 0.255 54.270 54.000 0.025 0.000 0.905 732 D CB -0.537 40.277 40.800 0.023 0.000 0.895 732 D HN 0.235 nan 8.370 nan 0.000 0.532 733 L N -0.041 121.195 121.223 0.022 0.000 2.353 733 L HA -0.125 4.226 4.340 0.018 0.000 0.220 733 L C 1.320 178.195 176.870 0.009 0.000 1.133 733 L CA 1.109 55.958 54.840 0.014 0.000 0.798 733 L CB -0.024 42.039 42.059 0.006 0.000 0.922 733 L HN -0.084 nan 8.230 nan 0.000 0.445 734 E N -0.465 119.741 120.200 0.010 0.000 2.685 734 E HA 0.250 4.611 4.350 0.018 0.000 0.208 734 E C 0.323 176.928 176.600 0.008 0.000 0.996 734 E CA -0.339 56.065 56.400 0.006 0.000 1.054 734 E CB 0.626 30.329 29.700 0.005 0.000 1.075 734 E HN 0.295 nan 8.360 nan 0.000 0.460 735 A N 0.573 123.399 122.820 0.011 0.000 2.520 735 A HA 0.081 4.412 4.320 0.018 0.000 0.235 735 A C 0.901 178.490 177.584 0.008 0.000 1.065 735 A CA 0.181 52.224 52.037 0.010 0.000 0.764 735 A CB 0.419 19.426 19.000 0.013 0.000 1.002 735 A HN 0.342 nan 8.150 nan 0.000 0.502 736 R N 0.684 121.188 120.500 0.007 0.000 2.300 736 R HA 0.124 4.475 4.340 0.018 0.000 0.199 736 R C -0.481 175.822 176.300 0.006 0.000 0.920 736 R CA 0.115 56.218 56.100 0.005 0.000 1.046 736 R CB 0.193 30.495 30.300 0.004 0.000 0.984 736 R HN 0.511 nan 8.270 nan 0.000 0.493 737 V N 1.778 121.696 119.914 0.008 0.000 2.406 737 V HA 0.068 4.199 4.120 0.018 0.000 0.272 737 V C 1.258 177.359 176.094 0.012 0.000 1.043 737 V CA -0.290 62.016 62.300 0.010 0.000 0.915 737 V CB 1.552 33.381 31.823 0.010 0.000 0.988 737 V HN 0.110 nan 8.190 nan 0.000 0.466 738 K N 3.598 124.006 120.400 0.013 0.000 2.057 738 K HA -0.174 4.157 4.320 0.018 0.000 0.207 738 K C 2.206 178.819 176.600 0.022 0.000 1.049 738 K CA 2.039 58.336 56.287 0.016 0.000 0.931 738 K CB -0.095 32.414 32.500 0.016 0.000 0.714 738 K HN 0.834 nan 8.250 nan 0.000 0.440 739 S N -0.263 115.450 115.700 0.022 0.000 2.382 739 S HA -0.106 4.375 4.470 0.018 0.000 0.228 739 S C 2.024 176.639 174.600 0.026 0.000 1.027 739 S CA 1.290 59.505 58.200 0.026 0.000 0.991 739 S CB -0.506 62.709 63.200 0.025 0.000 0.823 739 S HN 0.124 nan 8.310 nan 0.000 0.469 740 V N 2.412 122.339 119.914 0.021 0.000 2.307 740 V HA -0.088 4.043 4.120 0.018 0.000 0.245 740 V C 2.928 179.035 176.094 0.021 0.000 1.045 740 V CA 2.064 64.375 62.300 0.020 0.000 1.024 740 V CB -0.858 30.975 31.823 0.016 0.000 0.651 740 V HN 0.540 nan 8.190 nan 0.000 0.449 741 R N 0.199 120.712 120.500 0.021 0.000 2.091 741 R HA -0.205 4.146 4.340 0.018 0.000 0.238 741 R C 2.184 178.502 176.300 0.030 0.000 1.136 741 R CA 2.086 58.199 56.100 0.022 0.000 0.959 741 R CB -0.186 30.125 30.300 0.018 0.000 0.856 741 R HN 0.604 nan 8.270 nan 0.000 0.437 742 E N -0.532 119.690 120.200 0.035 0.000 2.285 742 E HA -0.068 4.293 4.350 0.018 0.000 0.194 742 E C 1.825 178.457 176.600 0.053 0.000 0.997 742 E CA 0.643 57.074 56.400 0.051 0.000 0.845 742 E CB 0.114 29.845 29.700 0.052 0.000 0.782 742 E HN 0.473 nan 8.360 nan 0.000 0.491 743 A N 1.554 124.396 122.820 0.037 0.000 1.898 743 A HA -0.076 4.254 4.320 0.018 0.000 0.216 743 A C 2.387 179.977 177.584 0.010 0.000 1.181 743 A CA 1.527 53.579 52.037 0.024 0.000 0.620 743 A CB -0.482 18.530 19.000 0.020 0.000 0.819 743 A HN 0.278 nan 8.150 nan 0.000 0.442 744 A N -0.142 122.688 122.820 0.016 0.000 1.930 744 A HA -0.151 4.180 4.320 0.018 0.000 0.217 744 A C 1.895 179.488 177.584 0.014 0.000 1.175 744 A CA 1.560 53.604 52.037 0.011 0.000 0.627 744 A CB -0.481 18.530 19.000 0.019 0.000 0.815 744 A HN 0.643 nan 8.150 nan 0.000 0.443 745 E N -0.451 119.776 120.200 0.044 0.000 2.106 745 E HA -0.172 4.189 4.350 0.018 0.000 0.192 745 E C 2.290 178.948 176.600 0.096 0.000 0.984 745 E CA 0.980 57.441 56.400 0.102 0.000 0.806 745 E CB -0.173 29.609 29.700 0.136 0.000 0.750 745 E HN 0.534 nan 8.360 nan 0.000 0.458 746 R N 0.138 120.638 120.500 0.000 0.000 2.092 746 R HA -0.028 4.323 4.340 0.018 0.000 0.231 746 R C 2.349 178.416 176.300 -0.389 0.000 1.119 746 R CA 1.127 57.077 56.100 -0.249 0.000 0.970 746 R CB -0.132 30.119 30.300 -0.082 0.000 0.864 746 R HN 0.207 nan 8.270 nan 0.000 0.440 747 M N -0.282 119.206 119.600 -0.186 0.000 2.175 747 M HA -0.085 4.406 4.480 0.018 0.000 0.264 747 M C 2.453 178.665 176.300 -0.147 0.000 1.063 747 M CA 1.598 56.801 55.300 -0.161 0.000 1.119 747 M CB -0.177 32.377 32.600 -0.076 0.000 1.377 747 M HN 0.209 nan 8.290 nan 0.000 0.415 748 A N 0.574 123.342 122.820 -0.088 0.000 1.897 748 A HA -0.132 4.199 4.320 0.018 0.000 0.215 748 A C 1.815 179.417 177.584 0.030 0.000 1.181 748 A CA 1.329 53.356 52.037 -0.017 0.000 0.620 748 A CB -0.829 18.180 19.000 0.016 0.000 0.821 748 A HN 0.629 nan 8.150 nan 0.000 0.443 749 F N 0.343 120.311 119.950 0.030 0.000 2.743 749 F HA 0.134 4.672 4.527 0.017 0.000 0.297 749 F C 1.449 177.421 175.800 0.286 0.000 1.131 749 F CA 0.674 58.720 58.000 0.077 0.000 1.426 749 F CB -0.617 38.399 39.000 0.027 0.000 1.116 749 F HN 0.272 nan 8.300 nan 0.000 0.583 750 N N 0.906 119.456 118.700 -0.250 0.000 2.270 750 N HA -0.177 4.574 4.740 0.018 0.000 0.181 750 N C 1.885 177.374 175.510 -0.036 0.000 1.016 750 N CA 1.243 54.163 53.050 -0.217 0.000 0.870 750 N CB -0.225 37.882 38.487 -0.633 0.000 0.979 750 N HN 0.393 nan 8.380 nan 0.000 0.431 751 M N 1.464 121.059 119.600 -0.008 0.000 2.086 751 M HA -0.039 4.451 4.480 0.018 0.000 0.261 751 M C -1.092 175.273 176.300 0.108 0.000 1.067 751 M CA 1.395 56.706 55.300 0.019 0.000 1.116 751 M CB -1.810 30.797 32.600 0.010 0.000 1.348 751 M HN -0.020 nan 8.290 nan 0.000 0.407 752 P HA -0.093 nan 4.420 nan 0.000 0.217 752 P C 1.827 179.266 177.300 0.232 0.000 1.150 752 P CA 1.211 64.472 63.100 0.269 0.000 0.832 752 P CB -0.154 31.832 31.700 0.476 0.000 0.787 753 V N -0.040 120.036 119.914 0.270 0.000 2.255 753 V HA -0.245 3.886 4.120 0.018 0.000 0.243 753 V C 2.724 178.877 176.094 0.098 0.000 1.038 753 V CA 1.918 64.324 62.300 0.178 0.000 1.008 753 V CB -1.468 30.540 31.823 0.308 0.000 0.645 753 V HN 0.129 nan 8.190 nan 0.000 0.449 754 Q N 0.352 120.180 119.800 0.047 0.000 2.124 754 Q HA -0.159 4.192 4.340 0.018 0.000 0.202 754 Q C 2.154 178.157 176.000 0.005 0.000 0.977 754 Q CA 1.962 57.747 55.803 -0.029 0.000 0.850 754 Q CB -0.420 28.244 28.738 -0.124 0.000 0.901 754 Q HN 0.669 nan 8.270 nan 0.000 0.429 755 G N -0.874 107.950 108.800 0.041 0.000 2.448 755 G HA2 -0.149 3.822 3.960 0.018 0.000 0.218 755 G HA3 -0.149 3.822 3.960 0.018 0.000 0.218 755 G C 1.262 176.219 174.900 0.096 0.000 1.135 755 G CA 1.007 46.146 45.100 0.065 0.000 0.784 755 G HN 0.320 nan 8.290 nan 0.000 0.543 756 T N 1.480 116.097 114.554 0.104 0.000 2.812 756 T HA 0.112 4.473 4.350 0.018 0.000 0.264 756 T C 2.850 177.601 174.700 0.085 0.000 1.042 756 T CA 1.196 63.380 62.100 0.139 0.000 1.140 756 T CB -0.270 68.649 68.868 0.084 0.000 0.870 756 T HN 0.325 nan 8.240 nan 0.000 0.445 757 A N 1.529 124.358 122.820 0.016 0.000 1.908 757 A HA 0.058 4.389 4.320 0.018 0.000 0.218 757 A C 2.580 180.138 177.584 -0.045 0.000 1.181 757 A CA 1.957 53.961 52.037 -0.055 0.000 0.627 757 A CB -1.020 17.946 19.000 -0.057 0.000 0.818 757 A HN 0.510 nan 8.150 nan 0.000 0.445 758 A N -0.358 122.466 122.820 0.008 0.000 1.929 758 A HA -0.107 4.224 4.320 0.018 0.000 0.216 758 A C 1.757 179.343 177.584 0.004 0.000 1.176 758 A CA 1.687 53.740 52.037 0.028 0.000 0.628 758 A CB -0.478 18.558 19.000 0.059 0.000 0.816 758 A HN 0.444 nan 8.150 nan 0.000 0.444 759 D N 0.287 120.690 120.400 0.005 0.000 2.117 759 D HA -0.130 4.521 4.640 0.018 0.000 0.197 759 D C 1.945 178.137 176.300 -0.180 0.000 0.987 759 D CA 1.063 55.000 54.000 -0.105 0.000 0.829 759 D CB -0.345 40.409 40.800 -0.078 0.000 0.961 759 D HN 0.445 nan 8.370 nan 0.000 0.460 760 L N -0.111 121.065 121.223 -0.078 0.000 2.017 760 L HA -0.186 4.165 4.340 0.018 0.000 0.208 760 L C 2.404 179.246 176.870 -0.047 0.000 1.073 760 L CA 0.855 55.653 54.840 -0.070 0.000 0.745 760 L CB -0.335 41.661 42.059 -0.105 0.000 0.894 760 L HN 0.075 nan 8.230 nan 0.000 0.432 761 M N 0.144 119.719 119.600 -0.043 0.000 2.099 761 M HA -0.180 4.311 4.480 0.018 0.000 0.262 761 M C 2.150 178.468 176.300 0.029 0.000 1.067 761 M CA 1.820 57.159 55.300 0.065 0.000 1.124 761 M CB -0.318 32.336 32.600 0.089 0.000 1.353 761 M HN -0.059 nan 8.290 nan 0.000 0.410 762 K N -0.396 119.991 120.400 -0.022 0.000 2.032 762 K HA -0.193 4.137 4.320 0.018 0.000 0.209 762 K C 1.929 178.489 176.600 -0.067 0.000 1.048 762 K CA 1.665 57.920 56.287 -0.054 0.000 0.927 762 K CB -0.730 31.730 32.500 -0.068 0.000 0.712 762 K HN 0.313 nan 8.250 nan 0.000 0.441 763 L N 0.953 122.126 121.223 -0.084 0.000 2.093 763 L HA -0.071 4.280 4.340 0.018 0.000 0.208 763 L C 2.142 179.014 176.870 0.003 0.000 1.085 763 L CA 1.633 56.430 54.840 -0.072 0.000 0.755 763 L CB -0.672 41.331 42.059 -0.093 0.000 0.904 763 L HN 0.113 nan 8.230 nan 0.000 0.435 764 A N -0.940 121.908 122.820 0.046 0.000 1.969 764 A HA -0.194 4.137 4.320 0.018 0.000 0.218 764 A C 2.234 179.853 177.584 0.058 0.000 1.169 764 A CA 1.917 54.009 52.037 0.091 0.000 0.635 764 A CB -0.479 18.630 19.000 0.181 0.000 0.810 764 A HN 0.518 nan 8.150 nan 0.000 0.445 765 M N -1.040 118.578 119.600 0.030 0.000 2.200 765 M HA -0.076 4.415 4.480 0.018 0.000 0.265 765 M C 2.011 178.327 176.300 0.027 0.000 1.066 765 M CA 1.010 56.320 55.300 0.016 0.000 1.127 765 M CB -0.252 32.326 32.600 -0.036 0.000 1.379 765 M HN 0.226 nan 8.290 nan 0.000 0.420 766 V N 0.665 120.573 119.914 -0.010 0.000 2.358 766 V HA -0.237 3.894 4.120 0.018 0.000 0.246 766 V C 2.103 178.214 176.094 0.028 0.000 1.047 766 V CA 1.750 64.039 62.300 -0.019 0.000 1.035 766 V CB -0.546 31.230 31.823 -0.078 0.000 0.658 766 V HN 0.436 nan 8.190 nan 0.000 0.452 767 K N -0.433 119.986 120.400 0.030 0.000 2.155 767 K HA -0.089 4.242 4.320 0.018 0.000 0.203 767 K C 1.974 178.603 176.600 0.048 0.000 1.052 767 K CA 1.016 57.328 56.287 0.040 0.000 0.948 767 K CB -0.202 32.328 32.500 0.048 0.000 0.728 767 K HN 0.257 nan 8.250 nan 0.000 0.448 768 L N 0.200 121.458 121.223 0.059 0.000 2.162 768 L HA 0.027 4.377 4.340 0.018 0.000 0.205 768 L C 1.833 178.730 176.870 0.046 0.000 1.086 768 L CA 1.240 56.105 54.840 0.041 0.000 0.778 768 L CB -0.475 41.606 42.059 0.036 0.000 0.928 768 L HN 0.043 nan 8.230 nan 0.000 0.446 769 F N 1.615 121.534 119.950 -0.051 0.000 2.095 769 F HA -0.126 4.412 4.527 0.018 0.000 0.298 769 F C -0.579 175.178 175.800 -0.071 0.000 1.104 769 F CA 1.845 59.804 58.000 -0.067 0.000 1.232 769 F CB -1.541 37.415 39.000 -0.073 0.000 0.987 769 F HN 0.176 nan 8.300 nan 0.000 0.475 770 P HA -0.139 nan 4.420 nan 0.000 0.217 770 P C 1.308 178.517 177.300 -0.153 0.000 1.150 770 P CA 1.461 64.502 63.100 -0.097 0.000 0.832 770 P CB -0.168 31.538 31.700 0.009 0.000 0.787 771 R N -0.490 119.947 120.500 -0.106 0.000 2.115 771 R HA 0.028 4.379 4.340 0.018 0.000 0.230 771 R C 2.296 178.513 176.300 -0.139 0.000 1.111 771 R CA 0.948 56.990 56.100 -0.097 0.000 0.976 771 R CB -1.504 28.762 30.300 -0.057 0.000 0.870 771 R HN 0.330 nan 8.270 nan 0.000 0.445 772 L N 0.483 121.587 121.223 -0.200 0.000 2.072 772 L HA -0.075 4.276 4.340 0.018 0.000 0.205 772 L C 2.360 179.074 176.870 -0.260 0.000 1.079 772 L CA 1.109 55.821 54.840 -0.213 0.000 0.752 772 L CB -0.473 41.447 42.059 -0.231 0.000 0.906 772 L HN 0.174 nan 8.230 nan 0.000 0.436 773 E N 0.411 120.367 120.200 -0.407 0.000 2.097 773 E HA -0.298 4.063 4.350 0.018 0.000 0.196 773 E C 2.018 178.501 176.600 -0.196 0.000 1.000 773 E CA 1.853 58.040 56.400 -0.356 0.000 0.804 773 E CB -0.068 29.372 29.700 -0.433 0.000 0.740 773 E HN 0.574 nan 8.360 nan 0.000 0.454 774 E N 0.252 120.354 120.200 -0.164 0.000 2.274 774 E HA -0.166 4.195 4.350 0.018 0.000 0.194 774 E C 1.674 178.216 176.600 -0.096 0.000 0.996 774 E CA 0.853 57.188 56.400 -0.109 0.000 0.840 774 E CB -0.068 29.579 29.700 -0.089 0.000 0.772 774 E HN 0.300 nan 8.360 nan 0.000 0.491 775 M N 0.165 119.701 119.600 -0.107 0.000 2.495 775 M HA 0.209 4.700 4.480 0.018 0.000 0.237 775 M C 1.005 177.244 176.300 -0.101 0.000 1.131 775 M CA 0.626 55.867 55.300 -0.097 0.000 1.032 775 M CB 0.828 33.371 32.600 -0.094 0.000 1.513 775 M HN 0.319 nan 8.290 nan 0.000 0.488 776 G N 1.733 110.478 108.800 -0.090 0.000 2.198 776 G HA2 -0.193 3.778 3.960 0.018 0.000 0.260 776 G HA3 -0.193 3.778 3.960 0.018 0.000 0.260 776 G C 0.045 174.942 174.900 -0.004 0.000 1.025 776 G CA 0.274 45.342 45.100 -0.053 0.000 0.769 776 G HN 0.669 nan 8.290 nan 0.000 0.507 777 A N -0.779 122.030 122.820 -0.019 0.000 2.288 777 A HA 0.984 5.315 4.320 0.018 0.000 0.328 777 A C 0.432 178.045 177.584 0.048 0.000 1.123 777 A CA -0.617 51.462 52.037 0.069 0.000 0.861 777 A CB 1.051 20.048 19.000 -0.004 0.000 1.272 777 A HN 0.536 nan 8.150 nan 0.000 0.490 778 R N -0.284 120.274 120.500 0.097 0.000 2.750 778 R HA 0.529 4.880 4.340 0.018 0.000 0.281 778 R C -0.997 175.312 176.300 0.016 0.000 0.972 778 R CA -0.509 55.608 56.100 0.028 0.000 0.912 778 R CB 2.127 32.436 30.300 0.015 0.000 1.187 778 R HN 0.769 nan 8.270 nan 0.000 0.464 779 M N 3.940 123.567 119.600 0.045 0.000 2.113 779 M HA 0.248 4.739 4.480 0.018 0.000 0.352 779 M C -0.274 176.044 176.300 0.028 0.000 1.170 779 M CA -0.202 55.127 55.300 0.049 0.000 1.053 779 M CB 0.804 33.487 32.600 0.139 0.000 1.601 779 M HN 0.662 nan 8.290 nan 0.000 0.459 780 L N 4.660 125.865 121.223 -0.031 0.000 2.356 780 L HA 0.359 4.710 4.340 0.018 0.000 0.193 780 L C -0.138 176.733 176.870 0.002 0.000 1.087 780 L CA 0.379 55.198 54.840 -0.036 0.000 0.817 780 L CB 0.172 42.168 42.059 -0.105 0.000 1.035 780 L HN 0.579 nan 8.230 nan 0.000 0.482 781 L N -0.634 120.544 121.223 -0.075 0.000 2.376 781 L HA 0.465 4.816 4.340 0.018 0.000 0.258 781 L C -0.792 175.998 176.870 -0.134 0.000 1.013 781 L CA -0.477 54.364 54.840 0.003 0.000 0.822 781 L CB 2.238 44.264 42.059 -0.056 0.000 1.388 781 L HN -0.014 nan 8.230 nan 0.000 0.413 782 Q N 1.385 121.072 119.800 -0.190 0.000 2.340 782 Q HA 0.474 4.825 4.340 0.018 0.000 0.268 782 Q C -1.662 174.326 176.000 -0.021 0.000 1.031 782 Q CA -0.469 55.242 55.803 -0.153 0.000 0.804 782 Q CB 2.537 31.095 28.738 -0.301 0.000 1.286 782 Q HN 0.532 nan 8.270 nan 0.000 0.448 783 V N 6.598 126.510 119.914 -0.004 0.000 2.446 783 V HA 0.226 4.357 4.120 0.018 0.000 0.257 783 V C 0.206 176.257 176.094 -0.073 0.000 1.036 783 V CA -0.294 61.958 62.300 -0.080 0.000 1.196 783 V CB -0.461 31.449 31.823 0.145 0.000 1.446 783 V HN 0.916 nan 8.190 nan 0.000 0.558 784 H N 1.699 120.840 119.070 0.118 0.000 4.642 784 H HA -0.214 4.353 4.556 0.018 0.000 0.072 784 H C 1.324 176.713 175.328 0.102 0.000 0.606 784 H CA 2.106 58.208 56.048 0.090 0.000 1.026 784 H CB -1.061 28.746 29.762 0.074 0.000 0.752 784 H HN 0.780 nan 8.280 nan 0.000 0.823 785 D N 2.387 122.950 120.400 0.272 0.000 2.462 785 D HA 0.170 4.821 4.640 0.018 0.000 0.221 785 D C 0.427 176.911 176.300 0.306 0.000 1.173 785 D CA 0.308 54.486 54.000 0.296 0.000 0.831 785 D CB 0.663 41.621 40.800 0.264 0.000 1.001 785 D HN 0.626 nan 8.370 nan 0.000 0.499 786 E N 0.427 120.748 120.200 0.201 0.000 2.288 786 E HA 0.531 4.892 4.350 0.018 0.000 0.268 786 E C -1.449 175.198 176.600 0.078 0.000 0.885 786 E CA -0.845 55.640 56.400 0.141 0.000 0.767 786 E CB 1.970 31.777 29.700 0.177 0.000 1.220 786 E HN 0.031 nan 8.360 nan 0.000 0.427 787 L N 3.143 124.384 121.223 0.029 0.000 2.365 787 L HA 0.524 4.875 4.340 0.018 0.000 0.273 787 L C -1.038 175.799 176.870 -0.056 0.000 1.000 787 L CA -1.207 53.617 54.840 -0.026 0.000 0.819 787 L CB 2.187 44.225 42.059 -0.035 0.000 1.284 787 L HN 0.410 nan 8.230 nan 0.000 0.418 788 V N 4.575 124.410 119.914 -0.132 0.000 2.357 788 V HA 0.465 4.595 4.120 0.018 0.000 0.284 788 V C 0.159 176.161 176.094 -0.153 0.000 1.018 788 V CA -0.384 61.786 62.300 -0.216 0.000 0.841 788 V CB 1.536 33.050 31.823 -0.515 0.000 0.991 788 V HN 0.530 nan 8.190 nan 0.000 0.437 789 L N 3.134 124.299 121.223 -0.096 0.000 2.347 789 L HA 0.759 5.110 4.340 0.018 0.000 0.268 789 L C -0.087 176.772 176.870 -0.018 0.000 1.019 789 L CA -0.746 54.067 54.840 -0.046 0.000 0.806 789 L CB 1.548 43.595 42.059 -0.021 0.000 1.339 789 L HN 0.568 nan 8.230 nan 0.000 0.463 790 E N 0.273 120.504 120.200 0.052 0.000 2.281 790 E HA 0.634 4.995 4.350 0.018 0.000 0.266 790 E C -1.804 175.019 176.600 0.372 0.000 0.893 790 E CA -0.476 56.020 56.400 0.159 0.000 0.798 790 E CB 2.089 31.819 29.700 0.051 0.000 1.245 790 E HN 0.681 nan 8.360 nan 0.000 0.410 791 A N 4.799 127.822 122.820 0.338 0.000 2.386 791 A HA 0.721 5.052 4.320 0.018 0.000 0.311 791 A C -2.715 174.753 177.584 -0.193 0.000 1.068 791 A CA -1.817 50.284 52.037 0.107 0.000 0.743 791 A CB 1.311 20.302 19.000 -0.014 0.000 1.258 791 A HN 0.402 nan 8.150 nan 0.000 0.429 792 P HA 0.023 nan 4.420 nan 0.000 0.265 792 P C 0.546 177.591 177.300 -0.424 0.000 1.187 792 P CA 0.202 62.703 63.100 -0.998 0.000 0.766 792 P CB 0.528 31.703 31.700 -0.876 0.000 0.820 793 K N 1.960 122.174 120.400 -0.309 0.000 2.074 793 K HA -0.256 4.074 4.320 0.018 0.000 0.209 793 K C 1.680 178.197 176.600 -0.138 0.000 1.048 793 K CA 1.810 58.008 56.287 -0.149 0.000 0.926 793 K CB -0.154 32.288 32.500 -0.097 0.000 0.713 793 K HN 0.443 nan 8.250 nan 0.000 0.444 794 E N 0.226 120.326 120.200 -0.167 0.000 2.160 794 E HA -0.140 4.221 4.350 0.018 0.000 0.195 794 E C 1.206 177.732 176.600 -0.123 0.000 0.991 794 E CA 1.289 57.611 56.400 -0.131 0.000 0.810 794 E CB 0.158 29.775 29.700 -0.138 0.000 0.742 794 E HN 0.126 nan 8.360 nan 0.000 0.466 795 R N -1.486 118.921 120.500 -0.155 0.000 2.472 795 R HA 0.342 4.693 4.340 0.018 0.000 0.279 795 R C 1.505 177.743 176.300 -0.105 0.000 0.953 795 R CA 0.435 56.458 56.100 -0.129 0.000 1.088 795 R CB 0.679 30.887 30.300 -0.154 0.000 1.197 795 R HN 0.065 nan 8.270 nan 0.000 0.536 796 A N 1.081 123.844 122.820 -0.095 0.000 1.933 796 A HA -0.219 4.112 4.320 0.018 0.000 0.218 796 A C 1.971 179.529 177.584 -0.043 0.000 1.175 796 A CA 1.667 53.668 52.037 -0.059 0.000 0.628 796 A CB -0.149 18.828 19.000 -0.039 0.000 0.814 796 A HN 0.209 nan 8.150 nan 0.000 0.444 797 E N 0.258 120.432 120.200 -0.044 0.000 2.072 797 E HA -0.026 4.335 4.350 0.018 0.000 0.191 797 E C 1.991 178.569 176.600 -0.036 0.000 0.985 797 E CA 1.594 57.974 56.400 -0.034 0.000 0.801 797 E CB -0.465 29.215 29.700 -0.032 0.000 0.750 797 E HN 0.449 nan 8.360 nan 0.000 0.452 798 A N -0.061 122.732 122.820 -0.045 0.000 1.929 798 A HA -0.065 4.266 4.320 0.018 0.000 0.216 798 A C 2.472 180.029 177.584 -0.045 0.000 1.176 798 A CA 1.350 53.360 52.037 -0.044 0.000 0.628 798 A CB -0.600 18.369 19.000 -0.051 0.000 0.816 798 A HN 0.193 nan 8.150 nan 0.000 0.444 799 V N -0.117 119.767 119.914 -0.051 0.000 2.407 799 V HA -0.234 3.897 4.120 0.018 0.000 0.248 799 V C 3.021 179.092 176.094 -0.038 0.000 1.055 799 V CA 1.840 64.111 62.300 -0.048 0.000 1.049 799 V CB -1.062 30.731 31.823 -0.050 0.000 0.662 799 V HN 0.610 nan 8.190 nan 0.000 0.455 800 A N -0.103 122.697 122.820 -0.033 0.000 1.873 800 A HA -0.206 4.124 4.320 0.018 0.000 0.215 800 A C 2.379 179.945 177.584 -0.030 0.000 1.186 800 A CA 1.721 53.741 52.037 -0.028 0.000 0.616 800 A CB -0.480 18.507 19.000 -0.021 0.000 0.823 800 A HN 0.479 nan 8.150 nan 0.000 0.442 801 R N -1.081 119.402 120.500 -0.027 0.000 2.073 801 R HA -0.118 4.233 4.340 0.018 0.000 0.234 801 R C 2.216 178.500 176.300 -0.026 0.000 1.134 801 R CA 1.550 57.635 56.100 -0.025 0.000 0.952 801 R CB -0.597 29.689 30.300 -0.022 0.000 0.850 801 R HN 0.541 nan 8.270 nan 0.000 0.433 802 L N 0.610 121.816 121.223 -0.029 0.000 2.046 802 L HA -0.114 4.236 4.340 0.018 0.000 0.208 802 L C 2.317 179.171 176.870 -0.028 0.000 1.077 802 L CA 1.950 56.774 54.840 -0.027 0.000 0.747 802 L CB -0.417 41.622 42.059 -0.033 0.000 0.896 802 L HN 0.127 nan 8.230 nan 0.000 0.432 803 A N -0.381 122.419 122.820 -0.034 0.000 1.902 803 A HA -0.264 4.067 4.320 0.018 0.000 0.217 803 A C 2.455 180.009 177.584 -0.050 0.000 1.181 803 A CA 1.978 53.992 52.037 -0.039 0.000 0.623 803 A CB -0.700 18.274 19.000 -0.044 0.000 0.818 803 A HN 0.528 nan 8.150 nan 0.000 0.443 804 K N -0.587 119.782 120.400 -0.053 0.000 2.063 804 K HA -0.208 4.123 4.320 0.018 0.000 0.208 804 K C 1.711 178.285 176.600 -0.043 0.000 1.048 804 K CA 1.704 57.953 56.287 -0.064 0.000 0.928 804 K CB -0.113 32.359 32.500 -0.046 0.000 0.713 804 K HN 0.379 nan 8.250 nan 0.000 0.442 805 E N 0.349 120.536 120.200 -0.022 0.000 2.158 805 E HA -0.089 4.272 4.350 0.018 0.000 0.191 805 E C 2.129 178.736 176.600 0.012 0.000 0.982 805 E CA 0.658 57.056 56.400 -0.003 0.000 0.823 805 E CB -0.150 29.549 29.700 -0.003 0.000 0.766 805 E HN 0.137 nan 8.360 nan 0.000 0.468 806 V N 1.314 121.233 119.914 0.008 0.000 2.343 806 V HA -0.247 3.884 4.120 0.018 0.000 0.247 806 V C 2.376 178.505 176.094 0.058 0.000 1.051 806 V CA 1.661 63.978 62.300 0.029 0.000 1.036 806 V CB -0.460 31.374 31.823 0.019 0.000 0.654 806 V HN 0.242 nan 8.190 nan 0.000 0.451 807 M N -0.792 118.826 119.600 0.030 0.000 2.200 807 M HA -0.133 4.358 4.480 0.018 0.000 0.265 807 M C 2.170 178.572 176.300 0.170 0.000 1.066 807 M CA 1.666 57.007 55.300 0.069 0.000 1.127 807 M CB -0.431 32.061 32.600 -0.180 0.000 1.379 807 M HN 0.336 nan 8.290 nan 0.000 0.420 808 E N -0.068 120.180 120.200 0.080 0.000 2.152 808 E HA -0.079 4.282 4.350 0.018 0.000 0.192 808 E C 1.730 178.400 176.600 0.117 0.000 0.983 808 E CA 0.972 57.444 56.400 0.119 0.000 0.818 808 E CB -0.112 29.619 29.700 0.051 0.000 0.758 808 E HN 0.563 nan 8.360 nan 0.000 0.467 809 G N 0.726 109.582 108.800 0.093 0.000 3.434 809 G HA2 0.014 3.985 3.960 0.018 0.000 0.258 809 G HA3 0.014 3.985 3.960 0.018 0.000 0.258 809 G C 1.240 176.205 174.900 0.109 0.000 1.128 809 G CA -0.255 44.891 45.100 0.077 0.000 0.792 809 G HN 0.118 nan 8.290 nan 0.000 0.539 810 V N -0.349 119.661 119.914 0.160 0.000 2.392 810 V HA 0.035 4.166 4.120 0.018 0.000 0.249 810 V C 0.394 176.661 176.094 0.288 0.000 1.059 810 V CA 1.485 63.904 62.300 0.199 0.000 1.051 810 V CB -0.203 31.749 31.823 0.216 0.000 0.658 810 V HN 0.415 nan 8.190 nan 0.000 0.455 811 Y N -0.028 120.327 120.300 0.092 0.000 2.266 811 Y HA 0.405 4.966 4.550 0.018 0.000 0.321 811 Y C -2.713 173.193 175.900 0.010 0.000 1.194 811 Y CA -2.126 56.027 58.100 0.090 0.000 1.430 811 Y CB 0.651 39.224 38.460 0.188 0.000 1.240 811 Y HN 0.163 nan 8.280 nan 0.000 0.420 812 P HA 0.154 nan 4.420 nan 0.000 0.264 812 P C -0.537 176.652 177.300 -0.184 0.000 1.183 812 P CA 0.692 63.712 63.100 -0.132 0.000 0.763 812 P CB 0.800 32.414 31.700 -0.143 0.000 0.807 813 L N 1.375 122.510 121.223 -0.146 0.000 2.216 813 L HA 0.597 4.948 4.340 0.018 0.000 0.260 813 L C 1.639 178.510 176.870 0.001 0.000 1.036 813 L CA -1.057 53.635 54.840 -0.248 0.000 0.914 813 L CB 0.406 42.246 42.059 -0.363 0.000 1.501 813 L HN 0.202 nan 8.230 nan 0.000 0.485 814 A N 0.028 122.997 122.820 0.249 0.000 2.067 814 A HA 0.125 4.456 4.320 0.018 0.000 0.219 814 A C 0.541 178.173 177.584 0.081 0.000 1.158 814 A CA 1.069 53.212 52.037 0.176 0.000 0.661 814 A CB -0.541 18.569 19.000 0.183 0.000 0.801 814 A HN 0.433 nan 8.150 nan 0.000 0.452 815 V N -4.460 115.478 119.914 0.041 0.000 2.864 815 V HA 0.670 4.801 4.120 0.018 0.000 0.314 815 V C -3.229 172.844 176.094 -0.034 0.000 1.073 815 V CA -3.052 59.253 62.300 0.009 0.000 0.956 815 V CB 1.474 33.275 31.823 -0.035 0.000 1.023 815 V HN 0.047 nan 8.190 nan 0.000 0.435 816 P HA 0.375 nan 4.420 nan 0.000 0.271 816 P C -0.780 176.499 177.300 -0.034 0.000 1.216 816 P CA -0.106 62.992 63.100 -0.005 0.000 0.776 816 P CB 0.396 32.114 31.700 0.029 0.000 0.881 817 L N 2.788 124.016 121.223 0.009 0.000 2.264 817 L HA 0.336 4.687 4.340 0.018 0.000 0.289 817 L C 0.810 177.740 176.870 0.100 0.000 1.044 817 L CA -0.199 54.680 54.840 0.064 0.000 0.807 817 L CB 0.507 42.656 42.059 0.151 0.000 1.192 817 L HN 0.305 nan 8.230 nan 0.000 0.425 818 E N 2.849 123.111 120.200 0.103 0.000 2.195 818 E HA 0.550 4.911 4.350 0.018 0.000 0.271 818 E C -1.225 175.415 176.600 0.068 0.000 0.923 818 E CA -0.765 55.682 56.400 0.077 0.000 0.790 818 E CB 3.132 32.876 29.700 0.073 0.000 1.155 818 E HN 0.218 nan 8.360 nan 0.000 0.402 819 V N 3.101 123.007 119.914 -0.013 0.000 2.443 819 V HA 0.142 4.273 4.120 0.018 0.000 0.293 819 V C -0.308 175.759 176.094 -0.045 0.000 1.021 819 V CA -0.882 61.355 62.300 -0.104 0.000 0.848 819 V CB 1.623 33.290 31.823 -0.259 0.000 0.998 819 V HN 0.573 nan 8.190 nan 0.000 0.424 820 E N 2.874 123.068 120.200 -0.010 0.000 2.289 820 E HA 0.392 4.753 4.350 0.018 0.000 0.278 820 E C -0.589 176.010 176.600 -0.001 0.000 1.032 820 E CA 0.033 56.440 56.400 0.013 0.000 0.854 820 E CB 2.196 31.924 29.700 0.046 0.000 1.046 820 E HN 0.429 nan 8.360 nan 0.000 0.409 821 V N 2.116 122.031 119.914 0.002 0.000 2.656 821 V HA 0.827 4.958 4.120 0.018 0.000 0.307 821 V C -0.296 175.808 176.094 0.017 0.000 1.051 821 V CA -0.322 61.978 62.300 0.001 0.000 0.893 821 V CB 1.916 33.729 31.823 -0.018 0.000 0.999 821 V HN 0.658 nan 8.190 nan 0.000 0.426 822 G N 5.607 114.425 108.800 0.029 0.000 2.574 822 G HA2 0.768 4.739 3.960 0.018 0.000 0.299 822 G HA3 0.768 4.739 3.960 0.018 0.000 0.299 822 G C -1.566 173.355 174.900 0.037 0.000 1.298 822 G CA -0.720 44.402 45.100 0.036 0.000 0.952 822 G HN 0.776 nan 8.290 nan 0.000 0.477 823 I N 0.179 120.769 120.570 0.033 0.000 2.608 823 I HA 0.793 4.974 4.170 0.018 0.000 0.295 823 I C 0.379 176.520 176.117 0.040 0.000 1.049 823 I CA -0.657 60.661 61.300 0.031 0.000 1.063 823 I CB 2.556 40.565 38.000 0.016 0.000 1.248 823 I HN 0.842 nan 8.210 nan 0.000 0.424 824 G N 3.355 112.184 108.800 0.048 0.000 2.466 824 G HA2 0.202 4.173 3.960 0.018 0.000 0.291 824 G HA3 0.202 4.173 3.960 0.018 0.000 0.291 824 G C -0.275 174.660 174.900 0.058 0.000 1.460 824 G CA -0.411 44.720 45.100 0.052 0.000 0.791 824 G HN 0.512 nan 8.290 nan 0.000 0.505 825 E N -0.633 119.598 120.200 0.052 0.000 2.358 825 E HA 0.026 4.387 4.350 0.018 0.000 0.195 825 E C 0.358 176.993 176.600 0.059 0.000 1.010 825 E CA 1.478 57.908 56.400 0.050 0.000 0.856 825 E CB 0.280 30.000 29.700 0.033 0.000 0.795 825 E HN 0.690 nan 8.360 nan 0.000 0.504 826 D N -2.955 117.492 120.400 0.080 0.000 2.559 826 D HA 0.028 4.678 4.640 0.018 0.000 0.250 826 D C 0.379 176.811 176.300 0.219 0.000 1.135 826 D CA -0.874 53.204 54.000 0.129 0.000 0.955 826 D CB 0.235 41.089 40.800 0.089 0.000 1.442 826 D HN -0.240 nan 8.370 nan 0.000 0.471 827 W N 0.926 122.263 121.300 0.062 0.000 2.338 827 W HA -0.080 4.591 4.660 0.019 0.000 0.304 827 W C 1.535 178.061 176.519 0.012 0.000 1.212 827 W CA 0.808 58.173 57.345 0.034 0.000 1.264 827 W CB -0.665 28.804 29.460 0.016 0.000 1.142 827 W HN 0.528 nan 8.180 nan 0.000 0.512 828 L N 0.801 122.144 121.223 0.200 0.000 2.017 828 L HA -0.214 4.137 4.340 0.018 0.000 0.208 828 L C 2.566 179.481 176.870 0.075 0.000 1.073 828 L CA 2.624 57.494 54.840 0.050 0.000 0.745 828 L CB -1.216 40.855 42.059 0.021 0.000 0.894 828 L HN -0.221 nan 8.230 nan 0.000 0.432 829 S N -0.550 115.205 115.700 0.092 0.000 2.402 829 S HA -0.079 4.401 4.470 0.018 0.000 0.229 829 S C 1.975 176.625 174.600 0.084 0.000 1.021 829 S CA 0.937 59.179 58.200 0.071 0.000 0.974 829 S CB -0.439 62.797 63.200 0.059 0.000 0.800 829 S HN 0.626 nan 8.310 nan 0.000 0.484 830 A N 1.172 124.069 122.820 0.129 0.000 2.119 830 A HA 0.058 4.388 4.320 0.018 0.000 0.216 830 A C 1.862 179.521 177.584 0.125 0.000 1.152 830 A CA 0.816 52.927 52.037 0.124 0.000 0.708 830 A CB -0.110 18.976 19.000 0.143 0.000 0.805 830 A HN 0.359 nan 8.150 nan 0.000 0.460 831 K N -0.664 119.817 120.400 0.134 0.000 2.367 831 K HA 0.385 4.716 4.320 0.018 0.000 0.194 831 K C 0.400 177.034 176.600 0.057 0.000 1.027 831 K CA 0.837 57.184 56.287 0.100 0.000 1.075 831 K CB 0.223 32.774 32.500 0.085 0.000 0.845 831 K HN 0.592 nan 8.250 nan 0.000 0.529 832 E N 0.000 120.230 120.200 0.049 0.000 2.725 832 E HA 0.000 4.361 4.350 0.018 0.000 0.291 832 E CA 0.000 56.421 56.400 0.035 0.000 0.976 832 E CB 0.000 29.718 29.700 0.030 0.000 0.812 832 E HN 0.000 nan 8.360 nan 0.000 0.440